NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637404 | 6d8s | 30462 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 16.902 26.233 15.094 2 H2 ALA 1 H2 ALA 1 18.121 25.815 16.127 3 H3 ALA 1 H3 ALA 1 17.917 27.382 15.691 4 HA ALA 1 HA ALA 1 15.889 27.591 16.811 5 HB1 ALA 1 HB1 ALA 1 14.907 25.728 18.044 6 HB2 ALA 1 HB2 ALA 1 15.139 25.246 16.353 7 HB3 ALA 1 HB3 ALA 1 16.265 24.665 17.599 8 H PHE 2 H PHE 2 16.070 28.527 18.888 9 HA PHE 2 HA PHE 2 18.599 29.023 19.912 10 HB2 PHE 2 HB2 PHE 2 15.902 29.162 21.281 11 HB3 PHE 2 HB3 PHE 2 17.387 29.710 22.043 12 HD1 PHE 2 HD1 PHE 2 18.885 31.382 20.739 13 HD2 PHE 2 HD2 PHE 2 14.695 30.741 19.932 14 HE1 PHE 2 HE1 PHE 2 18.754 33.606 19.657 15 HE2 PHE 2 HE2 PHE 2 14.563 32.974 18.856 16 HZ PHE 2 HZ PHE 2 16.586 34.416 18.729 17 H CYS 3 H CYS 3 20.071 27.909 20.861 18 HA CYS 3 HA CYS 3 19.678 25.210 21.754 19 HB2 CYS 3 HB2 CYS 3 21.423 25.883 20.317 20 HB3 CYS 3 HB3 CYS 3 22.011 27.108 21.436 21 H ASN 4 H ASN 4 19.720 24.295 23.809 22 HA ASN 4 HA ASN 4 19.937 25.994 26.196 23 HB2 ASN 4 HB2 ASN 4 18.249 24.165 25.865 24 HB3 ASN 4 HB3 ASN 4 19.540 22.990 26.021 25 HD21 ASN 4 HD21 ASN 4 17.741 24.027 29.275 26 HD22 ASN 4 HD22 ASN 4 17.125 23.928 27.622 27 H LEU 5 H LEU 5 21.941 26.616 26.669 28 HA LEU 5 HA LEU 5 24.341 25.017 26.266 29 HB2 LEU 5 HB2 LEU 5 24.235 27.502 26.104 30 HB3 LEU 5 HB3 LEU 5 23.771 27.599 27.800 31 HG LEU 5 HG LEU 5 25.977 26.708 28.482 32 HD11 LEU 5 HD11 LEU 5 26.539 26.756 25.485 33 HD12 LEU 5 HD12 LEU 5 27.783 26.589 26.744 34 HD13 LEU 5 HD13 LEU 5 26.556 25.332 26.550 35 HD21 LEU 5 HD21 LEU 5 26.137 29.048 26.529 36 HD22 LEU 5 HD22 LEU 5 25.635 29.147 28.229 37 HD23 LEU 5 HD23 LEU 5 27.293 28.687 27.828 38 H ARG 6 H ARG 6 22.219 25.765 29.008 39 HA ARG 6 HA ARG 6 23.881 24.800 31.138 40 HB2 ARG 6 HB2 ARG 6 20.840 24.983 30.926 41 HB3 ARG 6 HB3 ARG 6 21.726 24.682 32.419 42 HG2 ARG 6 HG2 ARG 6 22.797 26.849 32.338 43 HG3 ARG 6 HG3 ARG 6 22.121 27.204 30.741 44 HD2 ARG 6 HD2 ARG 6 20.436 26.709 33.233 45 HD3 ARG 6 HD3 ARG 6 20.946 28.306 32.664 46 HE ARG 6 HE ARG 6 19.634 26.869 30.535 47 HH11 ARG 6 HH11 ARG 6 18.853 28.753 33.429 48 HH12 ARG 6 HH12 ARG 6 17.276 29.161 32.743 49 HH21 ARG 6 HH21 ARG 6 17.632 27.586 29.798 50 HH22 ARG 6 HH22 ARG 6 16.643 28.522 30.917 51 H ARG 7 H ARG 7 21.390 23.147 29.209 52 HA ARG 7 HA ARG 7 21.679 20.534 30.406 53 HB2 ARG 7 HB2 ARG 7 19.780 21.435 28.971 54 HB3 ARG 7 HB3 ARG 7 20.848 21.264 27.568 55 HG2 ARG 7 HG2 ARG 7 21.060 18.759 28.294 56 HG3 ARG 7 HG3 ARG 7 19.690 19.092 29.364 57 HD2 ARG 7 HD2 ARG 7 19.825 19.381 26.345 58 HD3 ARG 7 HD3 ARG 7 18.927 18.153 27.247 59 HE ARG 7 HE ARG 7 17.671 20.267 28.212 60 HH11 ARG 7 HH11 ARG 7 18.568 19.757 24.847 61 HH12 ARG 7 HH12 ARG 7 17.192 20.650 24.274 62 HH21 ARG 7 HH21 ARG 7 15.914 21.421 27.309 63 HH22 ARG 7 HH22 ARG 7 15.938 21.729 25.595 64 H CYS 8 H CYS 8 23.273 22.074 27.575 65 HA CYS 8 HA CYS 8 24.695 19.681 26.858 66 HB2 CYS 8 HB2 CYS 8 24.953 22.580 26.048 67 HB3 CYS 8 HB3 CYS 8 26.013 21.310 25.417 68 H GLU 9 H GLU 9 25.620 22.318 29.135 69 HA GLU 9 HA GLU 9 28.320 21.412 29.508 70 HB2 GLU 9 HB2 GLU 9 26.370 22.635 31.493 71 HB3 GLU 9 HB3 GLU 9 28.055 22.220 31.840 72 HG2 GLU 9 HG2 GLU 9 28.764 23.777 30.010 73 HG3 GLU 9 HG3 GLU 9 27.088 24.309 29.868 74 H LEU 10 H LEU 10 25.303 20.336 31.205 75 HA LEU 10 HA LEU 10 26.770 18.304 32.651 76 HB2 LEU 10 HB2 LEU 10 24.714 17.737 33.683 77 HB3 LEU 10 HB3 LEU 10 24.960 19.475 33.637 78 HG LEU 10 HG LEU 10 23.294 19.576 31.728 79 HD11 LEU 10 HD11 LEU 10 23.110 17.246 30.983 80 HD12 LEU 10 HD12 LEU 10 22.736 16.712 32.637 81 HD13 LEU 10 HD13 LEU 10 21.588 17.703 31.717 82 HD21 LEU 10 HD21 LEU 10 22.357 18.534 34.423 83 HD22 LEU 10 HD22 LEU 10 22.762 20.218 34.026 84 HD23 LEU 10 HD23 LEU 10 21.373 19.438 33.254 85 H SER 11 H SER 11 25.117 18.217 29.574 86 HA SER 11 HA SER 11 25.123 15.308 29.368 87 HB2 SER 11 HB2 SER 11 23.645 16.715 27.989 88 HB3 SER 11 HB3 SER 11 25.067 17.417 27.188 89 HG SER 11 HG SER 11 24.091 14.742 27.100 90 H CYS 12 H CYS 12 27.398 17.860 28.166 91 HA CYS 12 HA CYS 12 29.355 15.985 27.203 92 HB2 CYS 12 HB2 CYS 12 29.554 18.891 28.036 93 HB3 CYS 12 HB3 CYS 12 30.826 18.002 27.201 94 H ARG 13 H ARG 13 28.741 17.288 30.438 95 HA ARG 13 HA ARG 13 31.106 16.598 31.804 96 HB2 ARG 13 HB2 ARG 13 29.054 17.742 32.736 97 HB3 ARG 13 HB3 ARG 13 28.257 16.164 32.772 98 HG2 ARG 13 HG2 ARG 13 30.011 15.346 34.367 99 HG3 ARG 13 HG3 ARG 13 30.763 16.942 34.301 100 HD2 ARG 13 HD2 ARG 13 29.400 16.840 36.284 101 HD3 ARG 13 HD3 ARG 13 28.640 17.951 35.128 102 HE ARG 13 HE ARG 13 27.702 15.146 35.086 103 HH11 ARG 13 HH11 ARG 13 27.088 18.251 36.670 104 HH12 ARG 13 HH12 ARG 13 25.377 17.873 36.842 105 HH21 ARG 13 HH21 ARG 13 25.503 14.791 35.402 106 HH22 ARG 13 HH22 ARG 13 24.564 16.016 36.215 107 H SER 14 H SER 14 28.568 14.422 30.582 108 HA SER 14 HA SER 14 29.413 12.044 31.890 109 HB2 SER 14 HB2 SER 14 27.292 12.395 30.593 110 HB3 SER 14 HB3 SER 14 28.234 12.227 29.098 111 HG SER 14 HG SER 14 28.670 10.124 29.584 112 H LEU 15 H LEU 15 30.632 13.592 28.928 113 HA LEU 15 HA LEU 15 32.582 11.496 28.329 114 HB2 LEU 15 HB2 LEU 15 32.605 14.358 27.324 115 HB3 LEU 15 HB3 LEU 15 33.294 12.931 26.562 116 HG LEU 15 HG LEU 15 30.341 13.635 26.820 117 HD11 LEU 15 HD11 LEU 15 30.430 13.893 24.401 118 HD12 LEU 15 HD12 LEU 15 31.648 14.935 25.157 119 HD13 LEU 15 HD13 LEU 15 32.138 13.421 24.374 120 HD21 LEU 15 HD21 LEU 15 29.963 11.658 25.333 121 HD22 LEU 15 HD22 LEU 15 31.674 11.214 25.528 122 HD23 LEU 15 HD23 LEU 15 30.583 11.193 26.919 123 H GLY 16 H GLY 16 32.464 14.454 30.165 124 HA2 GLY 16 HA2 GLY 16 34.007 14.702 32.059 125 HA3 GLY 16 HA3 GLY 16 35.334 14.239 30.996 126 H LEU 17 H LEU 17 33.271 16.252 29.222 127 HA LEU 17 HA LEU 17 34.988 18.635 29.754 128 HB2 LEU 17 HB2 LEU 17 34.840 18.937 27.202 129 HB3 LEU 17 HB3 LEU 17 36.052 17.904 27.911 130 HG LEU 17 HG LEU 17 33.506 16.713 26.797 131 HD11 LEU 17 HD11 LEU 17 34.461 18.229 25.067 132 HD12 LEU 17 HD12 LEU 17 36.029 17.452 25.220 133 HD13 LEU 17 HD13 LEU 17 34.635 16.536 24.602 134 HD21 LEU 17 HD21 LEU 17 35.016 14.816 26.260 135 HD22 LEU 17 HD22 LEU 17 36.404 15.716 26.904 136 HD23 LEU 17 HD23 LEU 17 35.116 15.174 27.985 137 H LEU 18 H LEU 18 34.140 20.587 28.315 138 HA LEU 18 HA LEU 18 31.365 21.077 29.264 139 HB2 LEU 18 HB2 LEU 18 33.668 22.866 28.453 140 HB3 LEU 18 HB3 LEU 18 32.032 23.495 28.584 141 HG LEU 18 HG LEU 18 33.384 22.048 30.892 142 HD11 LEU 18 HD11 LEU 18 33.207 25.039 30.328 143 HD12 LEU 18 HD12 LEU 18 33.874 24.287 31.795 144 HD13 LEU 18 HD13 LEU 18 34.682 24.055 30.233 145 HD21 LEU 18 HD21 LEU 18 30.877 22.273 31.008 146 HD22 LEU 18 HD22 LEU 18 31.709 23.213 32.243 147 HD23 LEU 18 HD23 LEU 18 31.055 24.029 30.810 148 H GLY 19 H GLY 19 29.756 21.801 28.031 149 HA2 GLY 19 HA2 GLY 19 29.903 21.313 25.092 150 HA3 GLY 19 HA3 GLY 19 28.440 21.320 26.069 151 H LYS 20 H LYS 20 29.782 22.987 23.689 152 HA LYS 20 HA LYS 20 28.788 25.679 24.615 153 HB2 LYS 20 HB2 LYS 20 30.958 24.882 22.634 154 HB3 LYS 20 HB3 LYS 20 30.190 26.462 22.607 155 HG2 LYS 20 HG2 LYS 20 32.242 26.662 23.763 156 HG3 LYS 20 HG3 LYS 20 30.913 26.929 24.898 157 HD2 LYS 20 HD2 LYS 20 31.287 24.700 25.879 158 HD3 LYS 20 HD3 LYS 20 32.471 24.323 24.639 159 HE2 LYS 20 HE2 LYS 20 33.658 24.903 26.666 160 HE3 LYS 20 HE3 LYS 20 33.876 26.256 25.542 161 HZ1 LYS 20 HZ1 LYS 20 33.257 26.939 27.855 162 HZ2 LYS 20 HZ2 LYS 20 32.178 27.472 26.728 163 HZ3 LYS 20 HZ3 LYS 20 31.795 26.205 27.665 164 H CYS 21 H CYS 21 27.397 26.837 23.277 165 HA CYS 21 HA CYS 21 25.891 25.268 21.237 166 HB2 CYS 21 HB2 CYS 21 25.417 27.882 22.699 167 HB3 CYS 21 HB3 CYS 21 24.441 27.383 21.330 168 H ILE 22 H ILE 22 27.261 25.229 19.433 169 HA ILE 22 HA ILE 22 28.193 27.840 18.306 170 HB ILE 22 HB ILE 22 29.061 25.026 17.610 171 HG12 ILE 22 HG12 ILE 22 29.843 25.495 19.847 172 HG13 ILE 22 HG13 ILE 22 31.172 25.516 18.718 173 HG21 ILE 22 HG21 ILE 22 30.926 26.205 16.419 174 HG22 ILE 22 HG22 ILE 22 29.338 26.472 15.693 175 HG23 ILE 22 HG23 ILE 22 30.082 27.741 16.689 176 HD11 ILE 22 HD11 ILE 22 29.844 27.983 19.917 177 HD12 ILE 22 HD12 ILE 22 31.412 27.303 20.363 178 HD13 ILE 22 HD13 ILE 22 31.192 28.009 18.756 179 H GLY 23 H GLY 23 27.025 28.734 16.729 180 HA2 GLY 23 HA2 GLY 23 25.369 29.062 15.191 181 HA3 GLY 23 HA3 GLY 23 25.772 27.486 14.514 182 H GLU 24 H GLU 24 24.487 28.283 17.719 183 HA GLU 24 HA GLU 24 22.958 27.274 19.015 184 HB2 GLU 24 HB2 GLU 24 21.137 27.617 16.618 185 HB3 GLU 24 HB3 GLU 24 20.657 27.410 18.305 186 HG2 GLU 24 HG2 GLU 24 22.150 29.784 17.152 187 HG3 GLU 24 HG3 GLU 24 20.483 29.738 17.690 188 H GLU 25 H GLU 25 24.642 25.308 17.650 189 HA GLU 25 HA GLU 25 22.948 22.990 18.443 190 HB2 GLU 25 HB2 GLU 25 24.890 23.024 16.111 191 HB3 GLU 25 HB3 GLU 25 24.145 21.580 16.770 192 HG2 GLU 25 HG2 GLU 25 22.628 23.892 15.467 193 HG3 GLU 25 HG3 GLU 25 23.102 22.404 14.667 194 H CYS 26 H CYS 26 23.996 21.525 19.822 195 HA CYS 26 HA CYS 26 26.180 22.688 21.245 196 HB2 CYS 26 HB2 CYS 26 24.547 20.173 21.569 197 HB3 CYS 26 HB3 CYS 26 25.921 20.544 22.601 198 H GLU 27 H GLU 27 28.204 22.060 21.635 199 HA GLU 27 HA GLU 27 29.445 19.712 20.283 200 HB2 GLU 27 HB2 GLU 27 29.831 21.535 18.759 201 HB3 GLU 27 HB3 GLU 27 30.097 22.667 20.069 202 HG2 GLU 27 HG2 GLU 27 32.152 22.329 19.034 203 HG3 GLU 27 HG3 GLU 27 32.259 21.564 20.608 204 H CYS 28 H CYS 28 30.480 18.544 21.891 205 HA CYS 28 HA CYS 28 31.364 19.893 24.377 206 HB2 CYS 28 HB2 CYS 28 31.971 17.046 23.525 207 HB3 CYS 28 HB3 CYS 28 31.983 17.721 25.137 208 H VAL 29 H VAL 29 33.140 20.946 24.482 209 HA VAL 29 HA VAL 29 35.115 20.518 22.390 210 HB VAL 29 HB VAL 29 33.608 22.555 23.089 211 HG11 VAL 29 HG11 VAL 29 34.775 24.430 23.949 212 HG12 VAL 29 HG12 VAL 29 34.669 23.079 25.106 213 HG13 VAL 29 HG13 VAL 29 36.206 23.424 24.244 214 HG21 VAL 29 HG21 VAL 29 35.875 23.323 21.467 215 HG22 VAL 29 HG22 VAL 29 34.604 22.149 20.977 216 HG23 VAL 29 HG23 VAL 29 34.164 23.777 21.473 217 HA PRO 30 HA PRO 30 38.332 19.235 24.919 218 HB2 PRO 30 HB2 PRO 30 40.526 20.050 23.515 219 HB3 PRO 30 HB3 PRO 30 39.302 18.935 22.831 220 HG2 PRO 30 HG2 PRO 30 39.567 21.920 22.396 221 HG3 PRO 30 HG3 PRO 30 39.273 20.640 21.178 222 HD2 PRO 30 HD2 PRO 30 37.247 22.183 22.398 223 HD3 PRO 30 HD3 PRO 30 36.944 20.567 21.745 224 H TYR 31 H TYR 31 37.790 22.574 24.951 225 HA TYR 31 HA TYR 31 40.169 23.492 26.301 226 HB2 TYR 31 HB2 TYR 31 37.516 24.887 25.972 227 HB3 TYR 31 HB3 TYR 31 39.066 25.634 26.327 228 HD1 TYR 31 HD1 TYR 31 40.734 24.043 24.202 229 HD2 TYR 31 HD2 TYR 31 36.947 26.111 24.038 230 HE1 TYR 31 HE1 TYR 31 41.010 24.372 21.747 231 HE2 TYR 31 HE2 TYR 31 37.236 26.445 21.594 232 HH TYR 31 HH TYR 31 38.658 26.246 19.818 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 21.738 34.478 20.568 2 H2 ALA 1 H2 ALA 1 21.018 34.430 22.036 3 H3 ALA 1 H3 ALA 1 20.114 34.231 20.666 4 HA ALA 1 HA ALA 1 21.350 32.208 20.141 5 HB1 ALA 1 HB1 ALA 1 22.631 31.183 22.051 6 HB2 ALA 1 HB2 ALA 1 23.399 32.630 21.367 7 HB3 ALA 1 HB3 ALA 1 22.522 32.717 22.913 8 H PHE 2 H PHE 2 19.743 30.826 20.101 9 HA PHE 2 HA PHE 2 17.642 30.906 22.169 10 HB2 PHE 2 HB2 PHE 2 17.768 29.293 19.597 11 HB3 PHE 2 HB3 PHE 2 16.342 29.580 20.595 12 HD1 PHE 2 HD1 PHE 2 17.681 30.504 17.574 13 HD2 PHE 2 HD2 PHE 2 16.133 32.317 21.165 14 HE1 PHE 2 HE1 PHE 2 17.205 32.584 16.326 15 HE2 PHE 2 HE2 PHE 2 15.677 34.389 19.930 16 HZ PHE 2 HZ PHE 2 16.203 34.546 17.484 17 H CYS 3 H CYS 3 20.398 29.554 22.320 18 HA CYS 3 HA CYS 3 19.730 26.713 22.921 19 HB2 CYS 3 HB2 CYS 3 21.324 27.231 21.100 20 HB3 CYS 3 HB3 CYS 3 22.319 28.160 22.216 21 H ASN 4 H ASN 4 19.438 26.357 25.112 22 HA ASN 4 HA ASN 4 20.370 28.301 26.991 23 HB2 ASN 4 HB2 ASN 4 18.857 25.686 27.314 24 HB3 ASN 4 HB3 ASN 4 19.239 26.721 28.677 25 HD21 ASN 4 HD21 ASN 4 16.226 27.766 26.160 26 HD22 ASN 4 HD22 ASN 4 17.307 26.420 25.777 27 H LEU 5 H LEU 5 22.069 26.034 25.771 28 HA LEU 5 HA LEU 5 23.961 24.914 25.955 29 HB2 LEU 5 HB2 LEU 5 24.532 27.254 25.878 30 HB3 LEU 5 HB3 LEU 5 24.380 27.395 27.619 31 HG LEU 5 HG LEU 5 26.252 25.854 27.909 32 HD11 LEU 5 HD11 LEU 5 26.646 26.132 24.905 33 HD12 LEU 5 HD12 LEU 5 27.799 25.387 26.032 34 HD13 LEU 5 HD13 LEU 5 26.229 24.627 25.769 35 HD21 LEU 5 HD21 LEU 5 26.640 28.282 27.944 36 HD22 LEU 5 HD22 LEU 5 28.037 27.466 27.218 37 HD23 LEU 5 HD23 LEU 5 26.857 28.298 26.183 38 H ARG 6 H ARG 6 22.501 25.365 29.020 39 HA ARG 6 HA ARG 6 24.306 24.066 30.771 40 HB2 ARG 6 HB2 ARG 6 22.327 25.662 31.179 41 HB3 ARG 6 HB3 ARG 6 21.291 24.254 30.989 42 HG2 ARG 6 HG2 ARG 6 22.664 23.182 32.920 43 HG3 ARG 6 HG3 ARG 6 23.381 24.788 33.137 44 HD2 ARG 6 HD2 ARG 6 21.552 24.724 34.651 45 HD3 ARG 6 HD3 ARG 6 20.992 25.702 33.307 46 HE ARG 6 HE ARG 6 19.448 24.041 32.699 47 HH11 ARG 6 HH11 ARG 6 21.553 22.724 35.211 48 HH12 ARG 6 HH12 ARG 6 20.611 21.261 35.351 49 HH21 ARG 6 HH21 ARG 6 18.179 22.232 33.089 50 HH22 ARG 6 HH22 ARG 6 18.683 21.061 34.275 51 H ARG 7 H ARG 7 21.446 22.719 29.059 52 HA ARG 7 HA ARG 7 21.820 20.044 30.165 53 HB2 ARG 7 HB2 ARG 7 19.650 20.844 29.402 54 HB3 ARG 7 HB3 ARG 7 20.201 20.871 27.728 55 HG2 ARG 7 HG2 ARG 7 20.381 18.529 27.599 56 HG3 ARG 7 HG3 ARG 7 20.482 18.321 29.345 57 HD2 ARG 7 HD2 ARG 7 17.962 19.236 27.895 58 HD3 ARG 7 HD3 ARG 7 18.320 17.549 28.260 59 HE ARG 7 HE ARG 7 17.241 19.503 30.051 60 HH11 ARG 7 HH11 ARG 7 19.322 16.667 30.114 61 HH12 ARG 7 HH12 ARG 7 18.943 16.300 31.768 62 HH21 ARG 7 HH21 ARG 7 16.698 18.905 32.128 63 HH22 ARG 7 HH22 ARG 7 17.555 17.609 32.914 64 H CYS 8 H CYS 8 23.051 21.655 27.303 65 HA CYS 8 HA CYS 8 24.389 19.322 26.188 66 HB2 CYS 8 HB2 CYS 8 23.929 21.372 24.910 67 HB3 CYS 8 HB3 CYS 8 24.991 22.285 25.969 68 H GLU 9 H GLU 9 25.524 21.985 28.342 69 HA GLU 9 HA GLU 9 28.152 21.137 28.824 70 HB2 GLU 9 HB2 GLU 9 26.098 22.689 30.422 71 HB3 GLU 9 HB3 GLU 9 27.655 22.339 31.133 72 HG2 GLU 9 HG2 GLU 9 27.541 23.614 28.384 73 HG3 GLU 9 HG3 GLU 9 27.239 24.580 29.836 74 H LEU 10 H LEU 10 25.260 20.308 30.846 75 HA LEU 10 HA LEU 10 26.768 18.556 32.534 76 HB2 LEU 10 HB2 LEU 10 24.726 18.041 33.576 77 HB3 LEU 10 HB3 LEU 10 24.677 19.720 33.096 78 HG LEU 10 HG LEU 10 23.369 18.815 30.998 79 HD11 LEU 10 HD11 LEU 10 23.533 16.379 31.454 80 HD12 LEU 10 HD12 LEU 10 22.767 16.625 33.027 81 HD13 LEU 10 HD13 LEU 10 21.863 16.926 31.532 82 HD21 LEU 10 HD21 LEU 10 22.165 18.991 33.779 83 HD22 LEU 10 HD22 LEU 10 22.432 20.339 32.664 84 HD23 LEU 10 HD23 LEU 10 21.235 19.091 32.271 85 H SER 11 H SER 11 25.267 17.974 29.413 86 HA SER 11 HA SER 11 25.474 15.056 29.536 87 HB2 SER 11 HB2 SER 11 25.293 16.884 27.106 88 HB3 SER 11 HB3 SER 11 25.116 15.121 27.121 89 HG SER 11 HG SER 11 23.422 17.107 28.240 90 H CYS 12 H CYS 12 27.578 17.696 28.284 91 HA CYS 12 HA CYS 12 29.700 15.922 27.438 92 HB2 CYS 12 HB2 CYS 12 29.761 18.852 28.223 93 HB3 CYS 12 HB3 CYS 12 31.026 17.989 27.359 94 H ARG 13 H ARG 13 28.977 17.530 30.553 95 HA ARG 13 HA ARG 13 31.316 16.846 31.974 96 HB2 ARG 13 HB2 ARG 13 29.451 18.376 32.661 97 HB3 ARG 13 HB3 ARG 13 28.488 16.967 33.085 98 HG2 ARG 13 HG2 ARG 13 30.155 16.288 34.760 99 HG3 ARG 13 HG3 ARG 13 31.207 17.654 34.312 100 HD2 ARG 13 HD2 ARG 13 28.396 17.813 35.473 101 HD3 ARG 13 HD3 ARG 13 29.894 18.091 36.374 102 HE ARG 13 HE ARG 13 30.199 19.952 34.487 103 HH11 ARG 13 HH11 ARG 13 27.222 19.250 36.258 104 HH12 ARG 13 HH12 ARG 13 26.580 20.844 35.932 105 HH21 ARG 13 HH21 ARG 13 29.370 22.034 34.320 106 HH22 ARG 13 HH22 ARG 13 27.740 22.340 34.860 107 H SER 14 H SER 14 28.493 14.735 31.299 108 HA SER 14 HA SER 14 29.335 12.526 32.891 109 HB2 SER 14 HB2 SER 14 27.831 12.532 30.248 110 HB3 SER 14 HB3 SER 14 27.938 11.168 31.374 111 HG SER 14 HG SER 14 26.903 12.380 32.938 112 H LEU 15 H LEU 15 30.548 13.631 29.759 113 HA LEU 15 HA LEU 15 32.345 11.313 29.364 114 HB2 LEU 15 HB2 LEU 15 32.499 13.982 27.957 115 HB3 LEU 15 HB3 LEU 15 33.034 12.415 27.382 116 HG LEU 15 HG LEU 15 30.144 13.341 27.678 117 HD11 LEU 15 HD11 LEU 15 30.153 13.440 25.245 118 HD12 LEU 15 HD12 LEU 15 31.367 14.539 25.931 119 HD13 LEU 15 HD13 LEU 15 31.874 12.993 25.209 120 HD21 LEU 15 HD21 LEU 15 29.592 11.325 26.333 121 HD22 LEU 15 HD22 LEU 15 31.297 10.819 26.387 122 HD23 LEU 15 HD23 LEU 15 30.331 10.873 27.876 123 H GLY 16 H GLY 16 32.400 14.565 30.664 124 HA2 GLY 16 HA2 GLY 16 33.900 15.111 32.475 125 HA3 GLY 16 HA3 GLY 16 35.203 14.249 31.663 126 H LEU 17 H LEU 17 33.319 16.175 29.478 127 HA LEU 17 HA LEU 17 35.304 18.407 29.640 128 HB2 LEU 17 HB2 LEU 17 35.086 18.518 27.137 129 HB3 LEU 17 HB3 LEU 17 36.148 17.308 27.827 130 HG LEU 17 HG LEU 17 33.338 16.551 26.984 131 HD11 LEU 17 HD11 LEU 17 34.377 17.797 25.092 132 HD12 LEU 17 HD12 LEU 17 35.785 16.731 25.165 133 HD13 LEU 17 HD13 LEU 17 34.200 16.069 24.723 134 HD21 LEU 17 HD21 LEU 17 34.456 14.392 26.428 135 HD22 LEU 17 HD22 LEU 17 36.022 15.073 26.893 136 HD23 LEU 17 HD23 LEU 17 34.779 14.806 28.118 137 H LEU 18 H LEU 18 34.609 20.347 28.340 138 HA LEU 18 HA LEU 18 31.994 21.210 29.368 139 HB2 LEU 18 HB2 LEU 18 34.254 22.607 27.893 140 HB3 LEU 18 HB3 LEU 18 32.756 23.424 28.328 141 HG LEU 18 HG LEU 18 34.479 22.070 30.430 142 HD11 LEU 18 HD11 LEU 18 34.591 24.949 29.458 143 HD12 LEU 18 HD12 LEU 18 35.433 24.310 30.887 144 HD13 LEU 18 HD13 LEU 18 35.868 23.727 29.273 145 HD21 LEU 18 HD21 LEU 18 33.371 23.711 31.931 146 HD22 LEU 18 HD22 LEU 18 32.386 24.277 30.564 147 HD23 LEU 18 HD23 LEU 18 32.210 22.620 31.167 148 H GLY 19 H GLY 19 30.448 22.230 28.141 149 HA2 GLY 19 HA2 GLY 19 30.072 21.325 25.311 150 HA3 GLY 19 HA3 GLY 19 28.806 21.912 26.383 151 H LYS 20 H LYS 20 29.636 22.798 23.665 152 HA LYS 20 HA LYS 20 29.770 25.732 24.161 153 HB2 LYS 20 HB2 LYS 20 32.033 25.108 23.767 154 HB3 LYS 20 HB3 LYS 20 31.620 24.001 22.469 155 HG2 LYS 20 HG2 LYS 20 30.855 26.875 22.067 156 HG3 LYS 20 HG3 LYS 20 32.578 26.518 22.102 157 HD2 LYS 20 HD2 LYS 20 30.734 24.909 20.308 158 HD3 LYS 20 HD3 LYS 20 31.358 26.499 19.819 159 HE2 LYS 20 HE2 LYS 20 33.693 25.642 20.398 160 HE3 LYS 20 HE3 LYS 20 32.975 24.027 20.549 161 HZ1 LYS 20 HZ1 LYS 20 32.990 25.727 18.097 162 HZ2 LYS 20 HZ2 LYS 20 33.853 24.358 18.334 163 HZ3 LYS 20 HZ3 LYS 20 32.234 24.268 18.205 164 H CYS 21 H CYS 21 28.275 26.805 22.972 165 HA CYS 21 HA CYS 21 26.886 25.294 20.792 166 HB2 CYS 21 HB2 CYS 21 25.637 25.511 22.958 167 HB3 CYS 21 HB3 CYS 21 25.540 27.252 22.662 168 H ILE 22 H ILE 22 26.706 26.130 18.874 169 HA ILE 22 HA ILE 22 27.000 29.024 18.350 170 HB ILE 22 HB ILE 22 29.293 28.242 18.480 171 HG12 ILE 22 HG12 ILE 22 28.499 28.754 15.578 172 HG13 ILE 22 HG13 ILE 22 28.611 29.991 16.837 173 HG21 ILE 22 HG21 ILE 22 28.695 26.295 16.208 174 HG22 ILE 22 HG22 ILE 22 30.244 26.546 17.026 175 HG23 ILE 22 HG23 ILE 22 28.905 25.820 17.904 176 HD11 ILE 22 HD11 ILE 22 30.893 28.328 15.707 177 HD12 ILE 22 HD12 ILE 22 30.618 30.060 15.521 178 HD13 ILE 22 HD13 ILE 22 31.048 29.410 17.116 179 H GLY 23 H GLY 23 25.958 29.696 16.471 180 HA2 GLY 23 HA2 GLY 23 24.440 29.585 14.750 181 HA3 GLY 23 HA3 GLY 23 25.129 28.015 14.297 182 H GLU 24 H GLU 24 23.692 28.829 17.390 183 HA GLU 24 HA GLU 24 22.251 27.857 18.752 184 HB2 GLU 24 HB2 GLU 24 20.404 27.209 16.487 185 HB3 GLU 24 HB3 GLU 24 20.021 27.667 18.140 186 HG2 GLU 24 HG2 GLU 24 21.076 29.464 15.922 187 HG3 GLU 24 HG3 GLU 24 19.471 29.439 16.592 188 H GLU 25 H GLU 25 24.211 25.917 17.262 189 HA GLU 25 HA GLU 25 22.891 23.426 18.284 190 HB2 GLU 25 HB2 GLU 25 24.933 23.586 16.047 191 HB3 GLU 25 HB3 GLU 25 24.128 22.141 16.644 192 HG2 GLU 25 HG2 GLU 25 22.887 24.446 15.105 193 HG3 GLU 25 HG3 GLU 25 23.171 22.811 14.534 194 H CYS 26 H CYS 26 24.029 22.088 19.621 195 HA CYS 26 HA CYS 26 26.575 23.244 20.653 196 HB2 CYS 26 HB2 CYS 26 24.524 23.358 22.080 197 HB3 CYS 26 HB3 CYS 26 24.593 21.608 22.225 198 H GLU 27 H GLU 27 28.283 22.138 21.229 199 HA GLU 27 HA GLU 27 28.556 19.209 20.757 200 HB2 GLU 27 HB2 GLU 27 30.672 19.649 19.529 201 HB3 GLU 27 HB3 GLU 27 29.248 20.225 18.651 202 HG2 GLU 27 HG2 GLU 27 29.707 22.533 19.225 203 HG3 GLU 27 HG3 GLU 27 30.956 22.075 20.373 204 H CYS 28 H CYS 28 30.536 18.314 21.810 205 HA CYS 28 HA CYS 28 31.324 19.852 24.247 206 HB2 CYS 28 HB2 CYS 28 32.051 17.020 23.549 207 HB3 CYS 28 HB3 CYS 28 32.140 17.834 25.109 208 H VAL 29 H VAL 29 33.440 20.441 24.716 209 HA VAL 29 HA VAL 29 35.484 19.966 22.609 210 HB VAL 29 HB VAL 29 36.406 22.191 22.906 211 HG11 VAL 29 HG11 VAL 29 34.841 23.358 21.510 212 HG12 VAL 29 HG12 VAL 29 34.903 21.654 21.025 213 HG13 VAL 29 HG13 VAL 29 33.522 22.252 21.976 214 HG21 VAL 29 HG21 VAL 29 33.877 22.844 24.461 215 HG22 VAL 29 HG22 VAL 29 35.540 22.860 25.089 216 HG23 VAL 29 HG23 VAL 29 35.060 24.022 23.852 217 HA PRO 30 HA PRO 30 37.772 18.427 25.989 218 HB2 PRO 30 HB2 PRO 30 40.163 17.901 24.822 219 HB3 PRO 30 HB3 PRO 30 38.654 17.102 24.281 220 HG2 PRO 30 HG2 PRO 30 39.991 19.560 23.084 221 HG3 PRO 30 HG3 PRO 30 39.472 18.068 22.233 222 HD2 PRO 30 HD2 PRO 30 37.883 20.292 22.351 223 HD3 PRO 30 HD3 PRO 30 37.203 18.634 22.410 224 H TYR 31 H TYR 31 38.453 21.547 24.906 225 HA TYR 31 HA TYR 31 41.054 21.969 26.006 226 HB2 TYR 31 HB2 TYR 31 39.040 24.111 25.308 227 HB3 TYR 31 HB3 TYR 31 40.788 24.241 25.307 228 HD1 TYR 31 HD1 TYR 31 38.029 24.032 23.224 229 HD2 TYR 31 HD2 TYR 31 41.931 22.263 23.738 230 HE1 TYR 31 HE1 TYR 31 38.059 23.379 20.821 231 HE2 TYR 31 HE2 TYR 31 41.955 21.613 21.342 232 HH TYR 31 HH TYR 31 40.861 21.691 19.360 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 15.417 28.441 16.827 2 H2 ALA 1 H2 ALA 1 13.842 28.375 17.296 3 H3 ALA 1 H3 ALA 1 14.845 27.069 17.545 4 HA ALA 1 HA ALA 1 15.177 29.718 18.776 5 HB1 ALA 1 HB1 ALA 1 14.115 27.156 20.031 6 HB2 ALA 1 HB2 ALA 1 14.511 28.643 20.907 7 HB3 ALA 1 HB3 ALA 1 13.184 28.647 19.733 8 H PHE 2 H PHE 2 16.932 29.953 20.129 9 HA PHE 2 HA PHE 2 19.293 28.460 19.593 10 HB2 PHE 2 HB2 PHE 2 18.614 30.303 21.900 11 HB3 PHE 2 HB3 PHE 2 20.237 29.754 21.485 12 HD1 PHE 2 HD1 PHE 2 20.401 30.015 18.570 13 HD2 PHE 2 HD2 PHE 2 18.532 32.622 21.451 14 HE1 PHE 2 HE1 PHE 2 20.714 31.914 17.045 15 HE2 PHE 2 HE2 PHE 2 18.841 34.531 19.901 16 HZ PHE 2 HZ PHE 2 19.926 34.193 17.689 17 H CYS 3 H CYS 3 20.481 26.985 20.829 18 HA CYS 3 HA CYS 3 18.786 25.169 22.398 19 HB2 CYS 3 HB2 CYS 3 20.518 23.556 22.123 20 HB3 CYS 3 HB3 CYS 3 20.040 24.270 20.586 21 H ASN 4 H ASN 4 19.423 24.232 24.410 22 HA ASN 4 HA ASN 4 20.076 26.366 26.290 23 HB2 ASN 4 HB2 ASN 4 19.219 23.471 26.635 24 HB3 ASN 4 HB3 ASN 4 19.458 24.601 27.965 25 HD21 ASN 4 HD21 ASN 4 16.510 26.548 26.536 26 HD22 ASN 4 HD22 ASN 4 18.211 26.933 26.280 27 H LEU 5 H LEU 5 21.917 26.902 27.090 28 HA LEU 5 HA LEU 5 24.350 25.614 26.378 29 HB2 LEU 5 HB2 LEU 5 23.760 28.124 26.807 30 HB3 LEU 5 HB3 LEU 5 23.933 27.726 28.517 31 HG LEU 5 HG LEU 5 26.300 26.834 27.826 32 HD11 LEU 5 HD11 LEU 5 25.857 27.038 25.350 33 HD12 LEU 5 HD12 LEU 5 25.741 28.795 25.547 34 HD13 LEU 5 HD13 LEU 5 27.273 27.959 25.885 35 HD21 LEU 5 HD21 LEU 5 25.970 28.790 29.242 36 HD22 LEU 5 HD22 LEU 5 27.269 29.088 28.077 37 HD23 LEU 5 HD23 LEU 5 25.663 29.805 27.816 38 H ARG 6 H ARG 6 22.562 25.770 29.457 39 HA ARG 6 HA ARG 6 24.580 24.514 31.109 40 HB2 ARG 6 HB2 ARG 6 22.762 26.075 31.849 41 HB3 ARG 6 HB3 ARG 6 21.578 24.795 31.547 42 HG2 ARG 6 HG2 ARG 6 22.763 23.362 33.239 43 HG3 ARG 6 HG3 ARG 6 23.848 24.719 33.579 44 HD2 ARG 6 HD2 ARG 6 20.850 24.536 34.049 45 HD3 ARG 6 HD3 ARG 6 22.114 24.639 35.273 46 HE ARG 6 HE ARG 6 20.873 26.813 33.781 47 HH11 ARG 6 HH11 ARG 6 23.836 26.084 35.606 48 HH12 ARG 6 HH12 ARG 6 24.112 27.790 35.863 49 HH21 ARG 6 HH21 ARG 6 21.277 28.831 34.284 50 HH22 ARG 6 HH22 ARG 6 22.700 29.295 35.211 51 H ARG 7 H ARG 7 21.660 23.340 29.518 52 HA ARG 7 HA ARG 7 21.800 20.560 30.062 53 HB2 ARG 7 HB2 ARG 7 19.997 21.982 28.854 54 HB3 ARG 7 HB3 ARG 7 20.923 21.714 27.391 55 HG2 ARG 7 HG2 ARG 7 19.574 19.649 29.167 56 HG3 ARG 7 HG3 ARG 7 19.070 20.157 27.562 57 HD2 ARG 7 HD2 ARG 7 21.499 18.467 28.269 58 HD3 ARG 7 HD3 ARG 7 20.024 17.948 27.485 59 HE ARG 7 HE ARG 7 21.277 20.041 25.923 60 HH11 ARG 7 HH11 ARG 7 21.506 16.572 26.523 61 HH12 ARG 7 HH12 ARG 7 22.213 16.306 24.935 62 HH21 ARG 7 HH21 ARG 7 22.272 19.632 24.096 63 HH22 ARG 7 HH22 ARG 7 22.854 18.015 23.685 64 H CYS 8 H CYS 8 23.278 22.346 27.285 65 HA CYS 8 HA CYS 8 24.581 20.077 26.181 66 HB2 CYS 8 HB2 CYS 8 24.204 22.099 24.924 67 HB3 CYS 8 HB3 CYS 8 25.190 23.033 26.039 68 H GLU 9 H GLU 9 25.790 22.375 28.697 69 HA GLU 9 HA GLU 9 28.401 21.186 28.891 70 HB2 GLU 9 HB2 GLU 9 26.729 22.772 30.881 71 HB3 GLU 9 HB3 GLU 9 28.343 22.150 31.242 72 HG2 GLU 9 HG2 GLU 9 29.253 23.380 29.271 73 HG3 GLU 9 HG3 GLU 9 27.666 24.097 29.002 74 H LEU 10 H LEU 10 25.373 20.393 30.767 75 HA LEU 10 HA LEU 10 26.765 18.313 32.205 76 HB2 LEU 10 HB2 LEU 10 24.689 17.749 33.186 77 HB3 LEU 10 HB3 LEU 10 24.930 19.484 33.149 78 HG LEU 10 HG LEU 10 23.328 19.547 31.172 79 HD11 LEU 10 HD11 LEU 10 23.156 17.179 30.532 80 HD12 LEU 10 HD12 LEU 10 22.662 16.745 32.184 81 HD13 LEU 10 HD13 LEU 10 21.606 17.721 31.146 82 HD21 LEU 10 HD21 LEU 10 22.746 20.299 33.427 83 HD22 LEU 10 HD22 LEU 10 21.364 19.522 32.653 84 HD23 LEU 10 HD23 LEU 10 22.297 18.638 33.880 85 H SER 11 H SER 11 25.304 18.320 29.083 86 HA SER 11 HA SER 11 25.275 15.400 28.804 87 HB2 SER 11 HB2 SER 11 23.779 16.903 27.529 88 HB3 SER 11 HB3 SER 11 25.188 17.555 26.670 89 HG SER 11 HG SER 11 24.232 14.854 26.671 90 H CYS 12 H CYS 12 27.654 17.993 28.016 91 HA CYS 12 HA CYS 12 29.597 16.051 26.998 92 HB2 CYS 12 HB2 CYS 12 29.912 18.923 27.907 93 HB3 CYS 12 HB3 CYS 12 31.185 17.941 27.161 94 H ARG 13 H ARG 13 28.854 17.392 30.225 95 HA ARG 13 HA ARG 13 31.040 16.430 31.689 96 HB2 ARG 13 HB2 ARG 13 29.170 17.854 32.530 97 HB3 ARG 13 HB3 ARG 13 28.128 16.419 32.543 98 HG2 ARG 13 HG2 ARG 13 29.675 15.359 34.229 99 HG3 ARG 13 HG3 ARG 13 30.652 16.829 34.208 100 HD2 ARG 13 HD2 ARG 13 29.195 16.960 36.108 101 HD3 ARG 13 HD3 ARG 13 28.591 18.111 34.903 102 HE ARG 13 HE ARG 13 27.355 15.444 34.755 103 HH11 ARG 13 HH11 ARG 13 26.959 18.595 36.358 104 HH12 ARG 13 HH12 ARG 13 25.231 18.253 36.549 105 HH21 ARG 13 HH21 ARG 13 25.315 15.182 35.106 106 HH22 ARG 13 HH22 ARG 13 24.341 16.435 35.898 107 H SER 14 H SER 14 28.395 14.507 30.326 108 HA SER 14 HA SER 14 28.868 12.018 31.591 109 HB2 SER 14 HB2 SER 14 28.201 12.465 28.652 110 HB3 SER 14 HB3 SER 14 27.810 11.051 29.638 111 HG SER 14 HG SER 14 26.378 12.301 30.830 112 H LEU 15 H LEU 15 30.921 13.733 29.342 113 HA LEU 15 HA LEU 15 32.757 11.427 29.006 114 HB2 LEU 15 HB2 LEU 15 32.826 14.079 27.542 115 HB3 LEU 15 HB3 LEU 15 33.612 12.559 27.075 116 HG LEU 15 HG LEU 15 30.617 13.130 26.987 117 HD11 LEU 15 HD11 LEU 15 31.918 14.390 25.320 118 HD12 LEU 15 HD12 LEU 15 32.641 12.868 24.747 119 HD13 LEU 15 HD13 LEU 15 30.897 13.149 24.574 120 HD21 LEU 15 HD21 LEU 15 30.454 11.016 25.721 121 HD22 LEU 15 HD22 LEU 15 32.184 10.725 25.984 122 HD23 LEU 15 HD23 LEU 15 31.064 10.713 27.362 123 H GLY 16 H GLY 16 32.321 13.950 31.060 124 HA2 GLY 16 HA2 GLY 16 33.778 14.844 32.668 125 HA3 GLY 16 HA3 GLY 16 35.171 14.470 31.656 126 H LEU 17 H LEU 17 33.543 15.817 29.304 127 HA LEU 17 HA LEU 17 34.978 18.280 29.354 128 HB2 LEU 17 HB2 LEU 17 33.015 16.736 27.635 129 HB3 LEU 17 HB3 LEU 17 33.312 18.374 27.213 130 HG LEU 17 HG LEU 17 34.465 16.735 25.973 131 HD11 LEU 17 HD11 LEU 17 35.133 19.031 25.891 132 HD12 LEU 17 HD12 LEU 17 36.208 18.836 27.307 133 HD13 LEU 17 HD13 LEU 17 36.574 18.027 25.769 134 HD21 LEU 17 HD21 LEU 17 36.350 16.424 28.339 135 HD22 LEU 17 HD22 LEU 17 35.248 15.168 27.717 136 HD23 LEU 17 HD23 LEU 17 36.594 15.750 26.718 137 H LEU 18 H LEU 18 34.019 20.185 28.507 138 HA LEU 18 HA LEU 18 31.327 21.020 29.524 139 HB2 LEU 18 HB2 LEU 18 33.885 22.572 28.972 140 HB3 LEU 18 HB3 LEU 18 32.335 23.382 28.962 141 HG LEU 18 HG LEU 18 33.277 21.777 31.362 142 HD11 LEU 18 HD11 LEU 18 33.540 24.767 30.786 143 HD12 LEU 18 HD12 LEU 18 33.894 23.975 32.336 144 HD13 LEU 18 HD13 LEU 18 34.876 23.600 30.911 145 HD21 LEU 18 HD21 LEU 18 30.847 22.231 31.283 146 HD22 LEU 18 HD22 LEU 18 31.621 23.208 32.526 147 HD23 LEU 18 HD23 LEU 18 31.190 23.961 30.990 148 H GLY 19 H GLY 19 30.450 22.801 27.865 149 HA2 GLY 19 HA2 GLY 19 31.123 22.162 25.086 150 HA3 GLY 19 HA3 GLY 19 29.502 21.673 25.581 151 H LYS 20 H LYS 20 29.976 23.299 23.539 152 HA LYS 20 HA LYS 20 28.855 25.945 24.370 153 HB2 LYS 20 HB2 LYS 20 29.534 26.793 22.165 154 HB3 LYS 20 HB3 LYS 20 30.896 26.383 23.186 155 HG2 LYS 20 HG2 LYS 20 29.947 24.301 21.188 156 HG3 LYS 20 HG3 LYS 20 30.758 25.736 20.594 157 HD2 LYS 20 HD2 LYS 20 32.720 25.283 21.988 158 HD3 LYS 20 HD3 LYS 20 31.940 23.901 22.721 159 HE2 LYS 20 HE2 LYS 20 33.592 23.272 21.005 160 HE3 LYS 20 HE3 LYS 20 31.981 22.637 20.691 161 HZ1 LYS 20 HZ1 LYS 20 31.670 24.301 18.987 162 HZ2 LYS 20 HZ2 LYS 20 33.052 25.089 19.380 163 HZ3 LYS 20 HZ3 LYS 20 33.097 23.592 18.692 164 H CYS 21 H CYS 21 26.932 26.575 23.547 165 HA CYS 21 HA CYS 21 25.566 24.758 21.609 166 HB2 CYS 21 HB2 CYS 21 24.745 25.351 24.192 167 HB3 CYS 21 HB3 CYS 21 23.767 26.448 23.208 168 H ILE 22 H ILE 22 25.708 25.623 19.678 169 HA ILE 22 HA ILE 22 24.921 28.366 19.110 170 HB ILE 22 HB ILE 22 27.235 28.639 19.919 171 HG12 ILE 22 HG12 ILE 22 27.062 29.203 16.934 172 HG13 ILE 22 HG13 ILE 22 26.144 30.084 18.155 173 HG21 ILE 22 HG21 ILE 22 28.165 27.034 17.507 174 HG22 ILE 22 HG22 ILE 22 29.169 27.808 18.742 175 HG23 ILE 22 HG23 ILE 22 28.167 26.434 19.180 176 HD11 ILE 22 HD11 ILE 22 29.167 29.971 17.954 177 HD12 ILE 22 HD12 ILE 22 28.107 31.350 17.611 178 HD13 ILE 22 HD13 ILE 22 28.261 30.749 19.275 179 H GLY 23 H GLY 23 24.503 28.722 16.878 180 HA2 GLY 23 HA2 GLY 23 23.851 28.077 14.748 181 HA3 GLY 23 HA3 GLY 23 24.885 26.654 14.847 182 H GLU 24 H GLU 24 22.552 27.318 17.361 183 HA GLU 24 HA GLU 24 21.000 26.030 18.333 184 HB2 GLU 24 HB2 GLU 24 19.945 25.513 15.533 185 HB3 GLU 24 HB3 GLU 24 19.073 25.321 17.061 186 HG2 GLU 24 HG2 GLU 24 19.431 27.775 17.519 187 HG3 GLU 24 HG3 GLU 24 20.113 27.939 15.904 188 H GLU 25 H GLU 25 23.531 24.792 17.916 189 HA GLU 25 HA GLU 25 22.764 21.969 18.341 190 HB2 GLU 25 HB2 GLU 25 23.304 21.920 16.027 191 HB3 GLU 25 HB3 GLU 25 24.664 23.011 16.238 192 HG2 GLU 25 HG2 GLU 25 25.505 20.882 15.734 193 HG3 GLU 25 HG3 GLU 25 25.955 21.244 17.386 194 H CYS 26 H CYS 26 24.003 20.886 19.763 195 HA CYS 26 HA CYS 26 25.901 22.411 21.451 196 HB2 CYS 26 HB2 CYS 26 24.147 21.195 22.572 197 HB3 CYS 26 HB3 CYS 26 24.540 19.729 21.703 198 H GLU 27 H GLU 27 28.068 22.022 21.548 199 HA GLU 27 HA GLU 27 29.214 19.490 20.535 200 HB2 GLU 27 HB2 GLU 27 30.161 22.236 19.640 201 HB3 GLU 27 HB3 GLU 27 31.116 20.776 19.459 202 HG2 GLU 27 HG2 GLU 27 28.417 21.278 18.136 203 HG3 GLU 27 HG3 GLU 27 29.989 21.536 17.406 204 H CYS 28 H CYS 28 30.970 18.789 21.777 205 HA CYS 28 HA CYS 28 31.564 20.375 24.170 206 HB2 CYS 28 HB2 CYS 28 32.905 17.758 23.503 207 HB3 CYS 28 HB3 CYS 28 32.633 18.481 25.080 208 H VAL 29 H VAL 29 33.675 20.744 24.956 209 HA VAL 29 HA VAL 29 35.617 21.732 22.956 210 HB VAL 29 HB VAL 29 36.852 22.234 25.302 211 HG11 VAL 29 HG11 VAL 29 36.182 23.850 23.565 212 HG12 VAL 29 HG12 VAL 29 34.495 23.752 24.124 213 HG13 VAL 29 HG13 VAL 29 35.755 24.441 25.177 214 HG21 VAL 29 HG21 VAL 29 35.036 21.199 26.722 215 HG22 VAL 29 HG22 VAL 29 35.392 22.901 27.030 216 HG23 VAL 29 HG23 VAL 29 33.947 22.480 26.103 217 HA PRO 30 HA PRO 30 38.116 17.997 23.968 218 HB2 PRO 30 HB2 PRO 30 40.597 18.656 23.210 219 HB3 PRO 30 HB3 PRO 30 39.193 18.819 22.099 220 HG2 PRO 30 HG2 PRO 30 40.628 20.971 23.659 221 HG3 PRO 30 HG3 PRO 30 39.997 21.038 21.979 222 HD2 PRO 30 HD2 PRO 30 38.697 21.951 24.325 223 HD3 PRO 30 HD3 PRO 30 37.894 21.650 22.767 224 H TYR 31 H TYR 31 38.551 20.481 26.177 225 HA TYR 31 HA TYR 31 40.818 19.457 27.685 226 HB2 TYR 31 HB2 TYR 31 38.902 21.650 28.502 227 HB3 TYR 31 HB3 TYR 31 40.562 21.419 29.010 228 HD1 TYR 31 HD1 TYR 31 42.370 21.532 27.036 229 HD2 TYR 31 HD2 TYR 31 38.419 23.243 26.879 230 HE1 TYR 31 HE1 TYR 31 43.098 23.063 25.194 231 HE2 TYR 31 HE2 TYR 31 39.139 24.756 25.037 232 HH TYR 31 HH TYR 31 40.839 25.015 23.356 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 25.714 30.792 20.903 2 H2 ALA 1 H2 ALA 1 26.089 30.439 19.350 3 H3 ALA 1 H3 ALA 1 25.630 29.228 20.385 4 HA ALA 1 HA ALA 1 23.973 31.429 19.372 5 HB1 ALA 1 HB1 ALA 1 22.654 29.757 18.240 6 HB2 ALA 1 HB2 ALA 1 24.354 29.521 17.795 7 HB3 ALA 1 HB3 ALA 1 23.572 28.443 18.982 8 H PHE 2 H PHE 2 21.756 31.482 20.169 9 HA PHE 2 HA PHE 2 21.764 31.242 23.021 10 HB2 PHE 2 HB2 PHE 2 19.568 32.109 21.114 11 HB3 PHE 2 HB3 PHE 2 19.540 32.338 22.858 12 HD1 PHE 2 HD1 PHE 2 21.895 33.408 23.798 13 HD2 PHE 2 HD2 PHE 2 20.097 34.101 19.938 14 HE1 PHE 2 HE1 PHE 2 23.141 35.523 23.601 15 HE2 PHE 2 HE2 PHE 2 21.323 36.253 19.761 16 HZ PHE 2 HZ PHE 2 22.852 36.975 21.588 17 H CYS 3 H CYS 3 21.629 28.611 21.547 18 HA CYS 3 HA CYS 3 19.156 27.401 22.588 19 HB2 CYS 3 HB2 CYS 3 20.105 25.326 21.582 20 HB3 CYS 3 HB3 CYS 3 19.745 26.651 20.502 21 H ASN 4 H ASN 4 19.496 25.266 23.842 22 HA ASN 4 HA ASN 4 20.017 26.085 26.431 23 HB2 ASN 4 HB2 ASN 4 19.459 23.422 25.159 24 HB3 ASN 4 HB3 ASN 4 19.867 23.508 26.860 25 HD21 ASN 4 HD21 ASN 4 16.260 25.016 25.803 26 HD22 ASN 4 HD22 ASN 4 17.430 24.676 24.524 27 H LEU 5 H LEU 5 21.994 26.928 26.829 28 HA LEU 5 HA LEU 5 24.417 25.477 26.382 29 HB2 LEU 5 HB2 LEU 5 23.967 28.012 26.322 30 HB3 LEU 5 HB3 LEU 5 24.019 27.959 28.085 31 HG LEU 5 HG LEU 5 26.357 26.975 27.876 32 HD11 LEU 5 HD11 LEU 5 25.998 27.819 24.972 33 HD12 LEU 5 HD12 LEU 5 27.547 27.393 25.731 34 HD13 LEU 5 HD13 LEU 5 26.283 26.163 25.565 35 HD21 LEU 5 HD21 LEU 5 27.415 29.147 27.376 36 HD22 LEU 5 HD22 LEU 5 25.890 29.723 26.654 37 HD23 LEU 5 HD23 LEU 5 25.973 29.356 28.384 38 H ARG 6 H ARG 6 22.492 26.011 29.367 39 HA ARG 6 HA ARG 6 24.387 24.639 31.114 40 HB2 ARG 6 HB2 ARG 6 21.466 25.419 31.362 41 HB3 ARG 6 HB3 ARG 6 22.281 24.456 32.603 42 HG2 ARG 6 HG2 ARG 6 23.907 26.154 33.045 43 HG3 ARG 6 HG3 ARG 6 23.420 27.117 31.651 44 HD2 ARG 6 HD2 ARG 6 21.603 26.548 34.027 45 HD3 ARG 6 HD3 ARG 6 22.629 27.983 33.868 46 HE ARG 6 HE ARG 6 20.908 27.541 31.547 47 HH11 ARG 6 HH11 ARG 6 21.137 29.350 34.605 48 HH12 ARG 6 HH12 ARG 6 19.911 30.465 34.024 49 HH21 ARG 6 HH21 ARG 6 19.159 28.857 31.174 50 HH22 ARG 6 HH22 ARG 6 18.917 30.245 32.247 51 H ARG 7 H ARG 7 21.521 23.477 29.268 52 HA ARG 7 HA ARG 7 21.769 20.723 30.059 53 HB2 ARG 7 HB2 ARG 7 19.893 21.869 28.694 54 HB3 ARG 7 HB3 ARG 7 20.949 21.644 27.287 55 HG2 ARG 7 HG2 ARG 7 20.988 19.163 27.815 56 HG3 ARG 7 HG3 ARG 7 19.781 19.467 29.073 57 HD2 ARG 7 HD2 ARG 7 19.475 20.046 26.096 58 HD3 ARG 7 HD3 ARG 7 18.772 18.662 26.950 59 HE ARG 7 HE ARG 7 17.763 20.810 28.358 60 HH11 ARG 7 HH11 ARG 7 17.646 20.107 24.883 61 HH12 ARG 7 HH12 ARG 7 16.327 21.219 24.669 62 HH21 ARG 7 HH21 ARG 7 15.936 21.897 28.030 63 HH22 ARG 7 HH22 ARG 7 15.347 22.191 26.406 64 H CYS 8 H CYS 8 23.394 22.546 27.432 65 HA CYS 8 HA CYS 8 24.751 20.327 26.354 66 HB2 CYS 8 HB2 CYS 8 24.413 22.459 25.219 67 HB3 CYS 8 HB3 CYS 8 25.522 23.259 26.333 68 H GLU 9 H GLU 9 25.977 22.553 28.970 69 HA GLU 9 HA GLU 9 28.498 21.210 29.241 70 HB2 GLU 9 HB2 GLU 9 26.788 22.719 31.270 71 HB3 GLU 9 HB3 GLU 9 28.345 21.991 31.672 72 HG2 GLU 9 HG2 GLU 9 29.440 23.361 29.900 73 HG3 GLU 9 HG3 GLU 9 27.895 24.161 29.595 74 H LEU 10 H LEU 10 25.263 20.293 30.538 75 HA LEU 10 HA LEU 10 26.247 18.179 32.246 76 HB2 LEU 10 HB2 LEU 10 24.333 19.212 33.012 77 HB3 LEU 10 HB3 LEU 10 23.684 19.480 31.397 78 HG LEU 10 HG LEU 10 23.200 17.104 31.194 79 HD11 LEU 10 HD11 LEU 10 23.675 17.042 34.217 80 HD12 LEU 10 HD12 LEU 10 23.008 15.713 33.254 81 HD13 LEU 10 HD13 LEU 10 24.696 16.202 33.036 82 HD21 LEU 10 HD21 LEU 10 21.859 18.571 33.487 83 HD22 LEU 10 HD22 LEU 10 21.477 18.720 31.758 84 HD23 LEU 10 HD23 LEU 10 21.169 17.191 32.598 85 H SER 11 H SER 11 24.949 18.393 28.890 86 HA SER 11 HA SER 11 24.949 15.588 28.318 87 HB2 SER 11 HB2 SER 11 23.964 17.221 26.809 88 HB3 SER 11 HB3 SER 11 25.533 17.969 26.519 89 HG SER 11 HG SER 11 24.774 16.401 24.925 90 H CYS 12 H CYS 12 27.555 18.021 27.811 91 HA CYS 12 HA CYS 12 29.567 16.144 27.105 92 HB2 CYS 12 HB2 CYS 12 29.738 18.958 28.215 93 HB3 CYS 12 HB3 CYS 12 31.076 18.084 27.461 94 H ARG 13 H ARG 13 28.308 16.804 30.247 95 HA ARG 13 HA ARG 13 30.491 16.083 31.912 96 HB2 ARG 13 HB2 ARG 13 28.163 16.999 32.527 97 HB3 ARG 13 HB3 ARG 13 27.595 15.325 32.401 98 HG2 ARG 13 HG2 ARG 13 29.198 14.658 34.156 99 HG3 ARG 13 HG3 ARG 13 29.709 16.351 34.337 100 HD2 ARG 13 HD2 ARG 13 26.861 15.332 34.670 101 HD3 ARG 13 HD3 ARG 13 28.001 15.516 36.008 102 HE ARG 13 HE ARG 13 27.958 18.039 34.839 103 HH11 ARG 13 HH11 ARG 13 25.535 15.924 36.338 104 HH12 ARG 13 HH12 ARG 13 24.653 17.320 36.944 105 HH21 ARG 13 HH21 ARG 13 26.570 19.736 35.597 106 HH22 ARG 13 HH22 ARG 13 25.150 19.242 36.514 107 H SER 14 H SER 14 28.417 14.028 29.939 108 HA SER 14 HA SER 14 29.229 11.487 30.976 109 HB2 SER 14 HB2 SER 14 28.496 10.601 28.813 110 HB3 SER 14 HB3 SER 14 27.322 11.742 29.472 111 HG SER 14 HG SER 14 27.940 13.265 27.968 112 H LEU 15 H LEU 15 30.748 13.616 28.562 113 HA LEU 15 HA LEU 15 32.927 11.736 27.993 114 HB2 LEU 15 HB2 LEU 15 32.844 14.677 27.271 115 HB3 LEU 15 HB3 LEU 15 33.712 13.367 26.469 116 HG LEU 15 HG LEU 15 30.756 13.992 26.390 117 HD11 LEU 15 HD11 LEU 15 31.166 14.319 24.010 118 HD12 LEU 15 HD12 LEU 15 32.330 15.281 24.945 119 HD13 LEU 15 HD13 LEU 15 32.844 13.765 24.187 120 HD21 LEU 15 HD21 LEU 15 32.176 11.580 25.166 121 HD22 LEU 15 HD22 LEU 15 30.915 11.520 26.412 122 HD23 LEU 15 HD23 LEU 15 30.518 12.085 24.784 123 H GLY 16 H GLY 16 32.357 14.461 30.123 124 HA2 GLY 16 HA2 GLY 16 33.572 14.785 32.157 125 HA3 GLY 16 HA3 GLY 16 35.024 14.111 31.422 126 H LEU 17 H LEU 17 33.137 16.445 29.552 127 HA LEU 17 HA LEU 17 34.960 18.668 30.320 128 HB2 LEU 17 HB2 LEU 17 35.036 19.180 27.771 129 HB3 LEU 17 HB3 LEU 17 36.189 18.098 28.522 130 HG LEU 17 HG LEU 17 33.758 16.922 27.200 131 HD11 LEU 17 HD11 LEU 17 34.662 18.574 25.613 132 HD12 LEU 17 HD12 LEU 17 36.271 17.857 25.771 133 HD13 LEU 17 HD13 LEU 17 34.942 16.913 25.047 134 HD21 LEU 17 HD21 LEU 17 35.403 15.134 26.588 135 HD22 LEU 17 HD22 LEU 17 36.697 16.068 27.361 136 HD23 LEU 17 HD23 LEU 17 35.401 15.384 28.341 137 H LEU 18 H LEU 18 34.258 20.723 28.993 138 HA LEU 18 HA LEU 18 31.364 21.145 29.549 139 HB2 LEU 18 HB2 LEU 18 33.521 23.169 28.845 140 HB3 LEU 18 HB3 LEU 18 31.856 23.527 29.306 141 HG LEU 18 HG LEU 18 34.039 22.407 31.060 142 HD11 LEU 18 HD11 LEU 18 33.681 24.469 32.320 143 HD12 LEU 18 HD12 LEU 18 33.985 24.858 30.619 144 HD13 LEU 18 HD13 LEU 18 32.329 24.925 31.259 145 HD21 LEU 18 HD21 LEU 18 32.010 21.249 31.766 146 HD22 LEU 18 HD22 LEU 18 32.389 22.518 32.928 147 HD23 LEU 18 HD23 LEU 18 31.095 22.777 31.739 148 H GLY 19 H GLY 19 30.621 22.993 27.858 149 HA2 GLY 19 HA2 GLY 19 31.021 22.098 25.080 150 HA3 GLY 19 HA3 GLY 19 29.473 21.664 25.816 151 H LYS 20 H LYS 20 29.605 23.125 23.542 152 HA LYS 20 HA LYS 20 28.116 25.480 24.432 153 HB2 LYS 20 HB2 LYS 20 29.036 27.107 23.122 154 HB3 LYS 20 HB3 LYS 20 30.429 26.312 23.820 155 HG2 LYS 20 HG2 LYS 20 29.366 25.982 20.969 156 HG3 LYS 20 HG3 LYS 20 30.753 26.928 21.487 157 HD2 LYS 20 HD2 LYS 20 31.621 24.607 22.440 158 HD3 LYS 20 HD3 LYS 20 30.482 23.931 21.274 159 HE2 LYS 20 HE2 LYS 20 32.764 25.877 20.741 160 HE3 LYS 20 HE3 LYS 20 32.791 24.150 20.368 161 HZ1 LYS 20 HZ1 LYS 20 30.918 26.079 19.087 162 HZ2 LYS 20 HZ2 LYS 20 32.351 25.606 18.459 163 HZ3 LYS 20 HZ3 LYS 20 31.174 24.491 18.649 164 H CYS 21 H CYS 21 26.667 26.356 22.754 165 HA CYS 21 HA CYS 21 25.679 24.129 21.026 166 HB2 CYS 21 HB2 CYS 21 24.406 24.407 23.102 167 HB3 CYS 21 HB3 CYS 21 24.032 26.078 22.660 168 H ILE 22 H ILE 22 25.470 24.515 18.947 169 HA ILE 22 HA ILE 22 24.977 27.178 17.825 170 HB ILE 22 HB ILE 22 27.370 26.966 18.209 171 HG12 ILE 22 HG12 ILE 22 26.356 28.215 16.247 172 HG13 ILE 22 HG13 ILE 22 28.074 27.888 16.345 173 HG21 ILE 22 HG21 ILE 22 27.402 24.584 16.322 174 HG22 ILE 22 HG22 ILE 22 28.812 25.433 16.974 175 HG23 ILE 22 HG23 ILE 22 27.734 24.553 18.063 176 HD11 ILE 22 HD11 ILE 22 27.960 26.197 14.604 177 HD12 ILE 22 HD12 ILE 22 26.189 26.313 14.548 178 HD13 ILE 22 HD13 ILE 22 27.185 27.682 14.037 179 H GLY 23 H GLY 23 23.872 27.070 15.815 180 HA2 GLY 23 HA2 GLY 23 22.375 26.098 14.364 181 HA3 GLY 23 HA3 GLY 23 23.484 24.723 14.252 182 H GLU 24 H GLU 24 21.694 25.909 17.091 183 HA GLU 24 HA GLU 24 20.494 24.885 18.689 184 HB2 GLU 24 HB2 GLU 24 19.148 23.443 16.395 185 HB3 GLU 24 HB3 GLU 24 18.487 23.732 18.003 186 HG2 GLU 24 HG2 GLU 24 19.129 25.856 15.915 187 HG3 GLU 24 HG3 GLU 24 17.543 25.307 16.423 188 H GLU 25 H GLU 25 22.946 23.181 17.620 189 HA GLU 25 HA GLU 25 22.283 20.766 19.259 190 HB2 GLU 25 HB2 GLU 25 22.206 20.178 16.930 191 HB3 GLU 25 HB3 GLU 25 23.760 20.939 16.631 192 HG2 GLU 25 HG2 GLU 25 24.035 18.552 16.637 193 HG3 GLU 25 HG3 GLU 25 24.881 19.232 18.016 194 H CYS 26 H CYS 26 23.805 19.932 20.569 195 HA CYS 26 HA CYS 26 25.785 21.870 21.591 196 HB2 CYS 26 HB2 CYS 26 24.240 20.887 23.157 197 HB3 CYS 26 HB3 CYS 26 24.610 19.267 22.584 198 H GLU 27 H GLU 27 27.977 21.559 21.718 199 HA GLU 27 HA GLU 27 29.125 18.928 21.138 200 HB2 GLU 27 HB2 GLU 27 30.719 19.708 19.492 201 HB3 GLU 27 HB3 GLU 27 29.054 19.907 18.957 202 HG2 GLU 27 HG2 GLU 27 29.203 22.358 19.608 203 HG3 GLU 27 HG3 GLU 27 30.919 22.087 19.952 204 H CYS 28 H CYS 28 31.099 18.532 22.021 205 HA CYS 28 HA CYS 28 31.575 20.144 24.446 206 HB2 CYS 28 HB2 CYS 28 32.572 17.382 23.797 207 HB3 CYS 28 HB3 CYS 28 32.440 18.167 25.371 208 H VAL 29 H VAL 29 33.455 20.940 25.160 209 HA VAL 29 HA VAL 29 35.772 20.996 23.307 210 HB VAL 29 HB VAL 29 35.926 23.470 23.674 211 HG11 VAL 29 HG11 VAL 29 35.137 22.453 21.556 212 HG12 VAL 29 HG12 VAL 29 33.464 22.571 22.150 213 HG13 VAL 29 HG13 VAL 29 34.434 24.044 21.884 214 HG21 VAL 29 HG21 VAL 29 33.873 24.728 24.193 215 HG22 VAL 29 HG22 VAL 29 33.029 23.225 24.569 216 HG23 VAL 29 HG23 VAL 29 34.392 23.757 25.581 217 HA PRO 30 HA PRO 30 38.061 20.523 27.022 218 HB2 PRO 30 HB2 PRO 30 40.574 21.025 26.179 219 HB3 PRO 30 HB3 PRO 30 39.624 19.656 25.523 220 HG2 PRO 30 HG2 PRO 30 39.990 22.437 24.332 221 HG3 PRO 30 HG3 PRO 30 40.242 20.854 23.524 222 HD2 PRO 30 HD2 PRO 30 37.894 22.223 23.302 223 HD3 PRO 30 HD3 PRO 30 37.931 20.436 23.408 224 H TYR 31 H TYR 31 37.215 23.469 26.150 225 HA TYR 31 HA TYR 31 39.099 25.298 27.210 226 HB2 TYR 31 HB2 TYR 31 36.114 25.697 26.888 227 HB3 TYR 31 HB3 TYR 31 37.326 26.958 26.928 228 HD1 TYR 31 HD1 TYR 31 35.190 26.733 24.920 229 HD2 TYR 31 HD2 TYR 31 39.242 25.228 24.886 230 HE1 TYR 31 HE1 TYR 31 35.199 26.766 22.427 231 HE2 TYR 31 HE2 TYR 31 39.236 25.282 22.393 232 HH TYR 31 HH TYR 31 38.059 25.985 20.486 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 22.741 32.767 15.739 2 H2 ALA 1 H2 ALA 1 23.664 33.810 16.625 3 H3 ALA 1 H3 ALA 1 22.427 34.368 15.690 4 HA ALA 1 HA ALA 1 21.626 34.476 17.841 5 HB1 ALA 1 HB1 ALA 1 20.095 33.564 16.063 6 HB2 ALA 1 HB2 ALA 1 20.524 31.925 16.581 7 HB3 ALA 1 HB3 ALA 1 19.682 33.019 17.703 8 H PHE 2 H PHE 2 21.226 33.549 19.918 9 HA PHE 2 HA PHE 2 23.205 31.612 20.861 10 HB2 PHE 2 HB2 PHE 2 20.886 32.967 22.276 11 HB3 PHE 2 HB3 PHE 2 22.158 32.043 23.058 12 HD1 PHE 2 HD1 PHE 2 24.662 32.843 22.138 13 HD2 PHE 2 HD2 PHE 2 21.130 35.290 22.527 14 HE1 PHE 2 HE1 PHE 2 26.075 34.868 22.189 15 HE2 PHE 2 HE2 PHE 2 22.550 37.321 22.614 16 HZ PHE 2 HZ PHE 2 25.026 37.117 22.427 17 H CYS 3 H CYS 3 22.715 29.693 22.065 18 HA CYS 3 HA CYS 3 20.040 28.551 22.028 19 HB2 CYS 3 HB2 CYS 3 20.644 26.530 21.060 20 HB3 CYS 3 HB3 CYS 3 21.172 27.755 19.938 21 H ASN 4 H ASN 4 19.856 26.764 23.596 22 HA ASN 4 HA ASN 4 20.939 27.624 26.061 23 HB2 ASN 4 HB2 ASN 4 19.470 25.029 25.437 24 HB3 ASN 4 HB3 ASN 4 19.804 25.651 27.045 25 HD21 ASN 4 HD21 ASN 4 16.904 27.506 24.816 26 HD22 ASN 4 HD22 ASN 4 17.978 26.348 24.053 27 H LEU 5 H LEU 5 22.532 26.987 27.359 28 HA LEU 5 HA LEU 5 24.483 24.919 26.463 29 HB2 LEU 5 HB2 LEU 5 25.172 27.248 26.498 30 HB3 LEU 5 HB3 LEU 5 24.694 27.441 28.178 31 HG LEU 5 HG LEU 5 26.725 25.338 27.474 32 HD11 LEU 5 HD11 LEU 5 28.534 27.047 27.648 33 HD12 LEU 5 HD12 LEU 5 27.498 27.317 26.245 34 HD13 LEU 5 HD13 LEU 5 27.295 28.327 27.692 35 HD21 LEU 5 HD21 LEU 5 27.721 26.023 29.655 36 HD22 LEU 5 HD22 LEU 5 26.476 27.278 29.830 37 HD23 LEU 5 HD23 LEU 5 26.035 25.562 29.867 38 H ARG 6 H ARG 6 22.437 25.901 29.160 39 HA ARG 6 HA ARG 6 23.779 24.674 31.302 40 HB2 ARG 6 HB2 ARG 6 21.978 26.405 31.404 41 HB3 ARG 6 HB3 ARG 6 20.777 25.199 30.946 42 HG2 ARG 6 HG2 ARG 6 21.227 23.933 33.042 43 HG3 ARG 6 HG3 ARG 6 22.451 25.132 33.494 44 HD2 ARG 6 HD2 ARG 6 19.472 25.678 33.119 45 HD3 ARG 6 HD3 ARG 6 20.324 25.505 34.666 46 HE ARG 6 HE ARG 6 21.576 27.489 33.000 47 HH11 ARG 6 HH11 ARG 6 18.740 27.261 35.096 48 HH12 ARG 6 HH12 ARG 6 18.806 28.982 35.447 49 HH21 ARG 6 HH21 ARG 6 21.664 29.467 33.544 50 HH22 ARG 6 HH22 ARG 6 20.483 30.239 34.600 51 H ARG 7 H ARG 7 21.204 23.246 29.321 52 HA ARG 7 HA ARG 7 21.219 20.720 30.891 53 HB2 ARG 7 HB2 ARG 7 19.862 21.334 28.229 54 HB3 ARG 7 HB3 ARG 7 19.573 19.933 29.258 55 HG2 ARG 7 HG2 ARG 7 18.631 21.398 31.020 56 HG3 ARG 7 HG3 ARG 7 18.958 22.824 30.016 57 HD2 ARG 7 HD2 ARG 7 17.505 21.840 28.225 58 HD3 ARG 7 HD3 ARG 7 17.056 20.544 29.343 59 HE ARG 7 HE ARG 7 16.367 22.613 30.871 60 HH11 ARG 7 HH11 ARG 7 15.667 22.283 27.411 61 HH12 ARG 7 HH12 ARG 7 14.434 23.522 27.504 62 HH21 ARG 7 HH21 ARG 7 14.614 24.035 30.855 63 HH22 ARG 7 HH22 ARG 7 13.859 24.402 29.321 64 H CYS 8 H CYS 8 22.653 21.938 27.945 65 HA CYS 8 HA CYS 8 23.601 19.463 26.846 66 HB2 CYS 8 HB2 CYS 8 23.363 21.419 25.488 67 HB3 CYS 8 HB3 CYS 8 24.353 22.378 26.575 68 H GLU 9 H GLU 9 25.265 21.908 28.932 69 HA GLU 9 HA GLU 9 27.816 20.792 28.805 70 HB2 GLU 9 HB2 GLU 9 28.347 22.077 30.776 71 HB3 GLU 9 HB3 GLU 9 27.338 23.019 29.688 72 HG2 GLU 9 HG2 GLU 9 25.690 23.291 31.162 73 HG3 GLU 9 HG3 GLU 9 25.704 21.633 31.705 74 H LEU 10 H LEU 10 25.204 19.769 30.962 75 HA LEU 10 HA LEU 10 26.703 18.043 32.670 76 HB2 LEU 10 HB2 LEU 10 23.806 17.740 31.782 77 HB3 LEU 10 HB3 LEU 10 24.532 17.122 33.264 78 HG LEU 10 HG LEU 10 24.092 20.058 32.555 79 HD11 LEU 10 HD11 LEU 10 22.751 18.291 34.621 80 HD12 LEU 10 HD12 LEU 10 22.431 20.015 34.311 81 HD13 LEU 10 HD13 LEU 10 22.042 18.808 33.072 82 HD21 LEU 10 HD21 LEU 10 25.239 18.785 35.076 83 HD22 LEU 10 HD22 LEU 10 26.077 19.887 33.957 84 HD23 LEU 10 HD23 LEU 10 24.735 20.480 34.938 85 H SER 11 H SER 11 25.279 17.551 29.492 86 HA SER 11 HA SER 11 25.561 14.670 29.394 87 HB2 SER 11 HB2 SER 11 24.072 16.352 27.972 88 HB3 SER 11 HB3 SER 11 25.500 16.425 26.929 89 HG SER 11 HG SER 11 23.941 14.207 27.717 90 H CYS 12 H CYS 12 27.492 17.427 28.181 91 HA CYS 12 HA CYS 12 29.652 15.858 27.105 92 HB2 CYS 12 HB2 CYS 12 29.619 18.705 28.165 93 HB3 CYS 12 HB3 CYS 12 30.865 17.998 27.142 94 H ARG 13 H ARG 13 29.088 17.247 30.401 95 HA ARG 13 HA ARG 13 31.599 16.547 31.504 96 HB2 ARG 13 HB2 ARG 13 28.846 17.176 32.593 97 HB3 ARG 13 HB3 ARG 13 30.163 16.715 33.665 98 HG2 ARG 13 HG2 ARG 13 31.555 18.532 32.939 99 HG3 ARG 13 HG3 ARG 13 30.480 18.903 31.592 100 HD2 ARG 13 HD2 ARG 13 30.227 20.551 33.400 101 HD3 ARG 13 HD3 ARG 13 28.728 19.659 33.105 102 HE ARG 13 HE ARG 13 30.408 18.521 35.237 103 HH11 ARG 13 HH11 ARG 13 28.136 21.140 34.705 104 HH12 ARG 13 HH12 ARG 13 27.599 21.107 36.364 105 HH21 ARG 13 HH21 ARG 13 29.457 18.276 37.153 106 HH22 ARG 13 HH22 ARG 13 28.276 19.428 37.729 107 H SER 14 H SER 14 28.805 14.489 30.977 108 HA SER 14 HA SER 14 29.767 12.283 32.601 109 HB2 SER 14 HB2 SER 14 27.467 12.364 31.706 110 HB3 SER 14 HB3 SER 14 28.092 12.107 30.067 111 HG SER 14 HG SER 14 27.389 10.168 31.356 112 H LEU 15 H LEU 15 30.719 13.452 29.407 113 HA LEU 15 HA LEU 15 32.601 11.224 28.905 114 HB2 LEU 15 HB2 LEU 15 32.617 13.906 27.505 115 HB3 LEU 15 HB3 LEU 15 33.163 12.351 26.909 116 HG LEU 15 HG LEU 15 30.292 13.280 27.298 117 HD11 LEU 15 HD11 LEU 15 31.455 14.292 25.382 118 HD12 LEU 15 HD12 LEU 15 31.888 12.673 24.775 119 HD13 LEU 15 HD13 LEU 15 30.182 13.179 24.853 120 HD21 LEU 15 HD21 LEU 15 31.391 10.626 26.239 121 HD22 LEU 15 HD22 LEU 15 30.375 10.847 27.679 122 HD23 LEU 15 HD23 LEU 15 29.703 11.144 26.074 123 H GLY 16 H GLY 16 32.564 14.454 30.252 124 HA2 GLY 16 HA2 GLY 16 34.087 15.046 32.028 125 HA3 GLY 16 HA3 GLY 16 35.389 14.207 31.201 126 H LEU 17 H LEU 17 33.265 16.279 29.260 127 HA LEU 17 HA LEU 17 35.144 18.581 29.467 128 HB2 LEU 17 HB2 LEU 17 34.908 18.831 26.968 129 HB3 LEU 17 HB3 LEU 17 36.020 17.612 27.542 130 HG LEU 17 HG LEU 17 33.217 16.792 26.752 131 HD11 LEU 17 HD11 LEU 17 35.564 17.240 24.860 132 HD12 LEU 17 HD12 LEU 17 33.990 16.525 24.435 133 HD13 LEU 17 HD13 LEU 17 34.092 18.225 24.933 134 HD21 LEU 17 HD21 LEU 17 35.961 15.451 26.462 135 HD22 LEU 17 HD22 LEU 17 34.758 15.031 27.684 136 HD23 LEU 17 HD23 LEU 17 34.411 14.742 25.977 137 H LEU 18 H LEU 18 34.209 20.573 28.314 138 HA LEU 18 HA LEU 18 31.408 20.849 29.285 139 HB2 LEU 18 HB2 LEU 18 33.584 22.862 28.698 140 HB3 LEU 18 HB3 LEU 18 31.931 23.333 29.078 141 HG LEU 18 HG LEU 18 33.626 21.634 30.943 142 HD11 LEU 18 HD11 LEU 18 34.703 23.828 30.602 143 HD12 LEU 18 HD12 LEU 18 33.166 24.650 30.968 144 HD13 LEU 18 HD13 LEU 18 34.005 23.710 32.222 145 HD21 LEU 18 HD21 LEU 18 31.099 23.281 31.415 146 HD22 LEU 18 HD22 LEU 18 31.184 21.503 31.356 147 HD23 LEU 18 HD23 LEU 18 32.012 22.376 32.645 148 H GLY 19 H GLY 19 29.943 22.245 28.171 149 HA2 GLY 19 HA2 GLY 19 29.896 21.732 25.227 150 HA3 GLY 19 HA3 GLY 19 28.482 21.936 26.242 151 H LYS 20 H LYS 20 29.632 23.333 23.791 152 HA LYS 20 HA LYS 20 29.191 26.212 24.575 153 HB2 LYS 20 HB2 LYS 20 31.206 24.915 22.688 154 HB3 LYS 20 HB3 LYS 20 30.583 26.512 22.328 155 HG2 LYS 20 HG2 LYS 20 32.756 26.610 23.402 156 HG3 LYS 20 HG3 LYS 20 31.511 27.475 24.304 157 HD2 LYS 20 HD2 LYS 20 31.374 25.738 25.931 158 HD3 LYS 20 HD3 LYS 20 32.416 24.648 25.009 159 HE2 LYS 20 HE2 LYS 20 34.315 26.257 25.321 160 HE3 LYS 20 HE3 LYS 20 33.216 27.414 26.087 161 HZ1 LYS 20 HZ1 LYS 20 34.145 24.846 27.214 162 HZ2 LYS 20 HZ2 LYS 20 34.361 26.345 27.819 163 HZ3 LYS 20 HZ3 LYS 20 32.855 25.701 27.847 164 H CYS 21 H CYS 21 27.762 27.342 23.201 165 HA CYS 21 HA CYS 21 26.180 25.780 21.240 166 HB2 CYS 21 HB2 CYS 21 25.050 27.392 22.718 167 HB3 CYS 21 HB3 CYS 21 26.035 28.686 22.041 168 H ILE 22 H ILE 22 26.943 25.453 19.177 169 HA ILE 22 HA ILE 22 28.047 27.782 17.741 170 HB ILE 22 HB ILE 22 29.959 26.610 18.830 171 HG12 ILE 22 HG12 ILE 22 30.009 26.550 15.784 172 HG13 ILE 22 HG13 ILE 22 30.117 28.004 16.787 173 HG21 ILE 22 HG21 ILE 22 29.475 24.327 16.866 174 HG22 ILE 22 HG22 ILE 22 30.725 24.452 18.113 175 HG23 ILE 22 HG23 ILE 22 29.038 24.264 18.587 176 HD11 ILE 22 HD11 ILE 22 32.348 27.387 16.154 177 HD12 ILE 22 HD12 ILE 22 32.169 27.057 17.886 178 HD13 ILE 22 HD13 ILE 22 32.109 25.722 16.706 179 H GLY 23 H GLY 23 27.482 27.867 15.588 180 HA2 GLY 23 HA2 GLY 23 26.182 27.373 13.748 181 HA3 GLY 23 HA3 GLY 23 26.486 25.650 14.013 182 H GLU 24 H GLU 24 25.079 27.863 16.355 183 HA GLU 24 HA GLU 24 23.208 27.899 17.576 184 HB2 GLU 24 HB2 GLU 24 21.997 27.454 14.833 185 HB3 GLU 24 HB3 GLU 24 21.116 28.006 16.252 186 HG2 GLU 24 HG2 GLU 24 21.658 29.903 14.892 187 HG3 GLU 24 HG3 GLU 24 22.513 30.005 16.416 188 H GLU 25 H GLU 25 24.480 25.233 17.452 189 HA GLU 25 HA GLU 25 22.418 23.919 19.099 190 HB2 GLU 25 HB2 GLU 25 23.689 22.707 16.650 191 HB3 GLU 25 HB3 GLU 25 23.549 21.692 18.068 192 HG2 GLU 25 HG2 GLU 25 21.206 23.117 16.750 193 HG3 GLU 25 HG3 GLU 25 21.678 21.452 16.441 194 H CYS 26 H CYS 26 23.356 22.876 20.915 195 HA CYS 26 HA CYS 26 26.029 23.817 21.531 196 HB2 CYS 26 HB2 CYS 26 24.232 23.971 23.141 197 HB3 CYS 26 HB3 CYS 26 24.071 22.215 23.162 198 H GLU 27 H GLU 27 27.914 22.700 21.957 199 HA GLU 27 HA GLU 27 28.081 19.847 21.131 200 HB2 GLU 27 HB2 GLU 27 28.246 21.005 19.062 201 HB3 GLU 27 HB3 GLU 27 29.179 22.312 19.776 202 HG2 GLU 27 HG2 GLU 27 30.586 21.117 18.353 203 HG3 GLU 27 HG3 GLU 27 31.145 20.851 19.989 204 H CYS 28 H CYS 28 29.944 18.813 21.893 205 HA CYS 28 HA CYS 28 31.059 20.102 24.288 206 HB2 CYS 28 HB2 CYS 28 31.753 17.342 23.320 207 HB3 CYS 28 HB3 CYS 28 31.839 18.006 24.942 208 H VAL 29 H VAL 29 33.105 20.872 24.548 209 HA VAL 29 HA VAL 29 35.188 20.129 22.589 210 HB VAL 29 HB VAL 29 36.079 22.467 22.549 211 HG11 VAL 29 HG11 VAL 29 34.942 21.434 20.614 212 HG12 VAL 29 HG12 VAL 29 33.392 22.091 21.188 213 HG13 VAL 29 HG13 VAL 29 34.704 23.187 20.696 214 HG21 VAL 29 HG21 VAL 29 34.745 23.464 24.380 215 HG22 VAL 29 HG22 VAL 29 34.561 24.346 22.857 216 HG23 VAL 29 HG23 VAL 29 33.274 23.251 23.401 217 HA PRO 30 HA PRO 30 37.335 19.403 26.282 218 HB2 PRO 30 HB2 PRO 30 39.913 19.114 25.448 219 HB3 PRO 30 HB3 PRO 30 38.598 18.020 24.916 220 HG2 PRO 30 HG2 PRO 30 39.657 20.454 23.441 221 HG3 PRO 30 HG3 PRO 30 39.481 18.778 22.798 222 HD2 PRO 30 HD2 PRO 30 37.574 20.664 22.388 223 HD3 PRO 30 HD3 PRO 30 37.130 18.974 22.759 224 H TYR 31 H TYR 31 37.764 22.427 24.822 225 HA TYR 31 HA TYR 31 40.092 23.507 25.854 226 HB2 TYR 31 HB2 TYR 31 37.499 25.005 25.387 227 HB3 TYR 31 HB3 TYR 31 39.119 25.658 25.293 228 HD1 TYR 31 HD1 TYR 31 40.241 23.150 23.626 229 HD2 TYR 31 HD2 TYR 31 36.866 25.818 23.219 230 HE1 TYR 31 HE1 TYR 31 40.239 22.782 21.170 231 HE2 TYR 31 HE2 TYR 31 36.881 25.452 20.756 232 HH TYR 31 HH TYR 31 39.082 23.119 19.211 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 16.496 27.144 16.292 2 H2 ALA 1 H2 ALA 1 15.502 28.177 17.093 3 H3 ALA 1 H3 ALA 1 14.912 27.230 15.872 4 HA ALA 1 HA ALA 1 14.209 26.333 17.936 5 HB1 ALA 1 HB1 ALA 1 15.103 24.040 17.685 6 HB2 ALA 1 HB2 ALA 1 14.718 24.743 16.107 7 HB3 ALA 1 HB3 ALA 1 16.407 24.651 16.651 8 H PHE 2 H PHE 2 14.902 25.102 19.937 9 HA PHE 2 HA PHE 2 16.507 26.748 21.560 10 HB2 PHE 2 HB2 PHE 2 15.700 23.871 22.067 11 HB3 PHE 2 HB3 PHE 2 16.180 25.062 23.280 12 HD1 PHE 2 HD1 PHE 2 14.790 27.387 23.096 13 HD2 PHE 2 HD2 PHE 2 13.380 23.513 21.818 14 HE1 PHE 2 HE1 PHE 2 12.477 28.212 23.152 15 HE2 PHE 2 HE2 PHE 2 11.043 24.343 21.921 16 HZ PHE 2 HZ PHE 2 10.576 26.698 22.565 17 H CYS 3 H CYS 3 18.636 26.730 22.233 18 HA CYS 3 HA CYS 3 20.264 24.268 22.014 19 HB2 CYS 3 HB2 CYS 3 20.764 25.762 20.069 20 HB3 CYS 3 HB3 CYS 3 21.179 27.042 21.212 21 H ASN 4 H ASN 4 19.366 24.289 24.291 22 HA ASN 4 HA ASN 4 20.120 26.246 26.213 23 HB2 ASN 4 HB2 ASN 4 18.359 24.576 26.439 24 HB3 ASN 4 HB3 ASN 4 19.561 23.302 26.577 25 HD21 ASN 4 HD21 ASN 4 18.474 24.841 29.924 26 HD22 ASN 4 HD22 ASN 4 17.558 24.389 28.466 27 H LEU 5 H LEU 5 22.097 26.829 26.858 28 HA LEU 5 HA LEU 5 24.470 25.323 26.265 29 HB2 LEU 5 HB2 LEU 5 24.365 27.775 26.309 30 HB3 LEU 5 HB3 LEU 5 23.974 27.755 28.030 31 HG LEU 5 HG LEU 5 26.194 26.821 28.553 32 HD11 LEU 5 HD11 LEU 5 26.697 25.565 26.494 33 HD12 LEU 5 HD12 LEU 5 26.721 27.084 25.560 34 HD13 LEU 5 HD13 LEU 5 27.950 26.761 26.805 35 HD21 LEU 5 HD21 LEU 5 27.506 28.825 27.991 36 HD22 LEU 5 HD22 LEU 5 26.316 29.276 26.752 37 HD23 LEU 5 HD23 LEU 5 25.857 29.270 28.465 38 H ARG 6 H ARG 6 22.533 25.637 29.260 39 HA ARG 6 HA ARG 6 24.480 24.380 31.011 40 HB2 ARG 6 HB2 ARG 6 21.445 24.577 31.254 41 HB3 ARG 6 HB3 ARG 6 22.519 24.037 32.527 42 HG2 ARG 6 HG2 ARG 6 22.488 26.843 31.342 43 HG3 ARG 6 HG3 ARG 6 21.729 26.326 32.841 44 HD2 ARG 6 HD2 ARG 6 23.675 27.235 33.661 45 HD3 ARG 6 HD3 ARG 6 24.098 25.536 33.566 46 HE ARG 6 HE ARG 6 25.637 26.003 31.851 47 HH11 ARG 6 HH11 ARG 6 23.762 28.933 32.387 48 HH12 ARG 6 HH12 ARG 6 25.043 29.925 31.697 49 HH21 ARG 6 HH21 ARG 6 27.127 27.325 30.935 50 HH22 ARG 6 HH22 ARG 6 26.854 29.074 30.987 51 H ARG 7 H ARG 7 21.630 23.168 29.286 52 HA ARG 7 HA ARG 7 21.887 20.392 30.047 53 HB2 ARG 7 HB2 ARG 7 20.659 21.631 27.551 54 HB3 ARG 7 HB3 ARG 7 20.444 19.961 28.041 55 HG2 ARG 7 HG2 ARG 7 19.570 22.357 29.724 56 HG3 ARG 7 HG3 ARG 7 18.515 21.475 28.623 57 HD2 ARG 7 HD2 ARG 7 19.930 20.260 31.031 58 HD3 ARG 7 HD3 ARG 7 18.264 20.854 31.013 59 HE ARG 7 HE ARG 7 18.714 18.920 28.892 60 HH11 ARG 7 HH11 ARG 7 18.132 19.010 32.344 61 HH12 ARG 7 HH12 ARG 7 17.209 17.517 32.295 62 HH21 ARG 7 HH21 ARG 7 17.606 17.175 28.865 63 HH22 ARG 7 HH22 ARG 7 16.837 16.500 30.295 64 H CYS 8 H CYS 8 23.197 22.153 27.220 65 HA CYS 8 HA CYS 8 24.602 19.960 26.067 66 HB2 CYS 8 HB2 CYS 8 24.310 22.068 24.917 67 HB3 CYS 8 HB3 CYS 8 25.199 22.929 26.154 68 H GLU 9 H GLU 9 25.849 22.377 28.493 69 HA GLU 9 HA GLU 9 28.386 21.205 28.873 70 HB2 GLU 9 HB2 GLU 9 26.554 22.726 30.717 71 HB3 GLU 9 HB3 GLU 9 28.197 22.296 31.194 72 HG2 GLU 9 HG2 GLU 9 29.174 23.632 29.510 73 HG3 GLU 9 HG3 GLU 9 27.652 23.889 28.662 74 H LEU 10 H LEU 10 25.357 20.382 30.661 75 HA LEU 10 HA LEU 10 26.661 18.452 32.395 76 HB2 LEU 10 HB2 LEU 10 23.753 18.709 31.526 77 HB3 LEU 10 HB3 LEU 10 24.320 17.673 32.838 78 HG LEU 10 HG LEU 10 24.713 20.676 32.774 79 HD11 LEU 10 HD11 LEU 10 22.838 20.828 34.364 80 HD12 LEU 10 HD12 LEU 10 22.316 20.164 32.810 81 HD13 LEU 10 HD13 LEU 10 22.557 19.078 34.199 82 HD21 LEU 10 HD21 LEU 10 24.915 18.683 35.065 83 HD22 LEU 10 HD22 LEU 10 26.277 19.533 34.298 84 HD23 LEU 10 HD23 LEU 10 25.075 20.444 35.213 85 H SER 11 H SER 11 25.018 18.202 29.284 86 HA SER 11 HA SER 11 25.279 15.338 28.972 87 HB2 SER 11 HB2 SER 11 25.156 17.437 26.771 88 HB3 SER 11 HB3 SER 11 24.846 15.698 26.611 89 HG SER 11 HG SER 11 23.359 17.648 28.032 90 H CYS 12 H CYS 12 27.516 18.017 28.191 91 HA CYS 12 HA CYS 12 29.591 16.306 27.107 92 HB2 CYS 12 HB2 CYS 12 29.786 19.064 28.350 93 HB3 CYS 12 HB3 CYS 12 31.021 18.275 27.383 94 H ARG 13 H ARG 13 28.828 17.481 30.425 95 HA ARG 13 HA ARG 13 31.196 16.480 31.657 96 HB2 ARG 13 HB2 ARG 13 29.445 18.109 32.612 97 HB3 ARG 13 HB3 ARG 13 28.509 16.672 33.054 98 HG2 ARG 13 HG2 ARG 13 30.400 15.865 34.457 99 HG3 ARG 13 HG3 ARG 13 31.396 17.194 33.883 100 HD2 ARG 13 HD2 ARG 13 30.639 17.710 36.101 101 HD3 ARG 13 HD3 ARG 13 29.885 18.838 34.955 102 HE ARG 13 HE ARG 13 28.152 16.589 35.389 103 HH11 ARG 13 HH11 ARG 13 29.370 19.224 37.397 104 HH12 ARG 13 HH12 ARG 13 27.816 19.404 38.192 105 HH21 ARG 13 HH21 ARG 13 26.243 16.892 36.510 106 HH22 ARG 13 HH22 ARG 13 26.263 17.948 37.922 107 H SER 14 H SER 14 28.192 14.773 30.793 108 HA SER 14 HA SER 14 28.724 12.259 31.951 109 HB2 SER 14 HB2 SER 14 27.644 12.709 29.149 110 HB3 SER 14 HB3 SER 14 27.374 11.299 30.192 111 HG SER 14 HG SER 14 25.648 12.934 30.074 112 H LEU 15 H LEU 15 30.208 13.739 29.068 113 HA LEU 15 HA LEU 15 31.790 11.377 28.331 114 HB2 LEU 15 HB2 LEU 15 32.208 14.232 27.415 115 HB3 LEU 15 HB3 LEU 15 32.690 12.756 26.602 116 HG LEU 15 HG LEU 15 29.832 13.749 26.941 117 HD11 LEU 15 HD11 LEU 15 29.993 14.228 24.516 118 HD12 LEU 15 HD12 LEU 15 31.123 15.194 25.479 119 HD13 LEU 15 HD13 LEU 15 31.721 13.802 24.561 120 HD21 LEU 15 HD21 LEU 15 31.006 11.390 25.389 121 HD22 LEU 15 HD22 LEU 15 29.856 11.310 26.737 122 HD23 LEU 15 HD23 LEU 15 29.351 12.001 25.186 123 H GLY 16 H GLY 16 32.189 14.203 30.338 124 HA2 GLY 16 HA2 GLY 16 33.950 14.275 32.029 125 HA3 GLY 16 HA3 GLY 16 35.080 13.618 30.847 126 H LEU 17 H LEU 17 33.011 16.030 29.416 127 HA LEU 17 HA LEU 17 35.097 18.104 29.843 128 HB2 LEU 17 HB2 LEU 17 34.893 18.554 27.327 129 HB3 LEU 17 HB3 LEU 17 35.953 17.308 27.926 130 HG LEU 17 HG LEU 17 33.201 16.542 26.961 131 HD11 LEU 17 HD11 LEU 17 34.083 16.316 24.690 132 HD12 LEU 17 HD12 LEU 17 34.244 18.000 25.224 133 HD13 LEU 17 HD13 LEU 17 35.662 16.946 25.208 134 HD21 LEU 17 HD21 LEU 17 34.444 14.493 26.203 135 HD22 LEU 17 HD22 LEU 17 35.951 15.180 26.823 136 HD23 LEU 17 HD23 LEU 17 34.663 14.733 27.939 137 H LEU 18 H LEU 18 34.586 20.175 28.639 138 HA LEU 18 HA LEU 18 32.052 21.205 29.776 139 HB2 LEU 18 HB2 LEU 18 34.619 22.487 28.805 140 HB3 LEU 18 HB3 LEU 18 33.145 23.417 28.951 141 HG LEU 18 HG LEU 18 32.932 22.702 31.352 142 HD11 LEU 18 HD11 LEU 18 35.812 21.759 30.956 143 HD12 LEU 18 HD12 LEU 18 35.015 22.005 32.521 144 HD13 LEU 18 HD13 LEU 18 34.427 20.751 31.442 145 HD21 LEU 18 HD21 LEU 18 33.775 24.908 30.692 146 HD22 LEU 18 HD22 LEU 18 34.608 24.323 32.134 147 HD23 LEU 18 HD23 LEU 18 35.424 24.261 30.556 148 H GLY 19 H GLY 19 30.765 22.750 28.548 149 HA2 GLY 19 HA2 GLY 19 30.422 21.926 25.688 150 HA3 GLY 19 HA3 GLY 19 29.082 22.125 26.795 151 H LYS 20 H LYS 20 29.539 23.294 24.270 152 HA LYS 20 HA LYS 20 29.195 26.223 24.785 153 HB2 LYS 20 HB2 LYS 20 30.701 24.794 22.592 154 HB3 LYS 20 HB3 LYS 20 30.269 26.488 22.510 155 HG2 LYS 20 HG2 LYS 20 31.814 27.166 24.088 156 HG3 LYS 20 HG3 LYS 20 31.804 25.622 24.946 157 HD2 LYS 20 HD2 LYS 20 33.886 25.811 23.783 158 HD3 LYS 20 HD3 LYS 20 32.894 24.500 23.127 159 HE2 LYS 20 HE2 LYS 20 34.114 25.751 21.372 160 HE3 LYS 20 HE3 LYS 20 32.364 25.781 21.135 161 HZ1 LYS 20 HZ1 LYS 20 32.291 28.029 21.815 162 HZ2 LYS 20 HZ2 LYS 20 33.789 27.983 22.509 163 HZ3 LYS 20 HZ3 LYS 20 33.621 27.947 20.868 164 H CYS 21 H CYS 21 27.923 27.255 23.009 165 HA CYS 21 HA CYS 21 26.301 25.350 21.347 166 HB2 CYS 21 HB2 CYS 21 24.860 26.607 22.917 167 HB3 CYS 21 HB3 CYS 21 25.495 28.130 22.249 168 H ILE 22 H ILE 22 26.489 25.521 19.165 169 HA ILE 22 HA ILE 22 27.291 28.080 17.935 170 HB ILE 22 HB ILE 22 29.388 26.898 18.357 171 HG12 ILE 22 HG12 ILE 22 28.774 26.915 15.387 172 HG13 ILE 22 HG13 ILE 22 28.999 28.387 16.357 173 HG21 ILE 22 HG21 ILE 22 28.463 24.533 18.194 174 HG22 ILE 22 HG22 ILE 22 28.503 24.728 16.438 175 HG23 ILE 22 HG23 ILE 22 30.008 24.799 17.368 176 HD11 ILE 22 HD11 ILE 22 31.274 27.601 17.002 177 HD12 ILE 22 HD12 ILE 22 31.084 26.215 15.912 178 HD13 ILE 22 HD13 ILE 22 31.081 27.850 15.249 179 H GLY 23 H GLY 23 26.199 28.510 16.084 180 HA2 GLY 23 HA2 GLY 23 24.554 28.310 14.488 181 HA3 GLY 23 HA3 GLY 23 25.196 26.682 14.191 182 H GLU 24 H GLU 24 23.598 27.923 17.140 183 HA GLU 24 HA GLU 24 21.976 27.047 18.493 184 HB2 GLU 24 HB2 GLU 24 20.469 26.462 15.957 185 HB3 GLU 24 HB3 GLU 24 19.814 26.752 17.566 186 HG2 GLU 24 HG2 GLU 24 21.269 28.848 15.882 187 HG3 GLU 24 HG3 GLU 24 19.536 28.639 15.966 188 H GLU 25 H GLU 25 24.106 25.091 17.681 189 HA GLU 25 HA GLU 25 22.696 22.772 18.879 190 HB2 GLU 25 HB2 GLU 25 22.904 22.288 16.478 191 HB3 GLU 25 HB3 GLU 25 24.647 22.534 16.573 192 HG2 GLU 25 HG2 GLU 25 24.819 20.612 18.152 193 HG3 GLU 25 HG3 GLU 25 23.073 20.381 18.054 194 H CYS 26 H CYS 26 23.891 21.522 20.303 195 HA CYS 26 HA CYS 26 25.943 22.742 21.816 196 HB2 CYS 26 HB2 CYS 26 24.334 21.157 22.690 197 HB3 CYS 26 HB3 CYS 26 24.924 19.902 21.614 198 H GLU 27 H GLU 27 28.133 22.401 22.045 199 HA GLU 27 HA GLU 27 29.648 20.524 20.302 200 HB2 GLU 27 HB2 GLU 27 29.507 22.639 19.085 201 HB3 GLU 27 HB3 GLU 27 29.905 23.538 20.531 202 HG2 GLU 27 HG2 GLU 27 31.802 23.671 19.310 203 HG3 GLU 27 HG3 GLU 27 32.211 22.430 20.488 204 H CYS 28 H CYS 28 30.642 19.255 21.902 205 HA CYS 28 HA CYS 28 31.460 20.471 24.453 206 HB2 CYS 28 HB2 CYS 28 31.928 17.658 23.451 207 HB3 CYS 28 HB3 CYS 28 32.075 18.246 25.109 208 H VAL 29 H VAL 29 33.638 20.733 25.180 209 HA VAL 29 HA VAL 29 35.776 20.115 23.228 210 HB VAL 29 HB VAL 29 36.851 22.278 23.509 211 HG11 VAL 29 HG11 VAL 29 35.490 23.536 21.945 212 HG12 VAL 29 HG12 VAL 29 35.478 21.815 21.513 213 HG13 VAL 29 HG13 VAL 29 34.073 22.534 22.321 214 HG21 VAL 29 HG21 VAL 29 35.616 24.246 24.279 215 HG22 VAL 29 HG22 VAL 29 34.271 23.208 24.809 216 HG23 VAL 29 HG23 VAL 29 35.865 23.095 25.592 217 HA PRO 30 HA PRO 30 38.081 19.073 26.940 218 HB2 PRO 30 HB2 PRO 30 40.456 18.388 25.852 219 HB3 PRO 30 HB3 PRO 30 38.974 17.447 25.507 220 HG2 PRO 30 HG2 PRO 30 40.233 19.638 23.817 221 HG3 PRO 30 HG3 PRO 30 39.708 18.005 23.292 222 HD2 PRO 30 HD2 PRO 30 38.125 20.249 23.034 223 HD3 PRO 30 HD3 PRO 30 37.452 18.613 23.323 224 H TYR 31 H TYR 31 38.569 21.870 25.156 225 HA TYR 31 HA TYR 31 41.030 22.911 26.147 226 HB2 TYR 31 HB2 TYR 31 38.704 24.539 25.147 227 HB3 TYR 31 HB3 TYR 31 40.408 24.918 25.057 228 HD1 TYR 31 HD1 TYR 31 41.473 22.274 23.910 229 HD2 TYR 31 HD2 TYR 31 38.006 24.658 22.925 230 HE1 TYR 31 HE1 TYR 31 41.427 21.271 21.623 231 HE2 TYR 31 HE2 TYR 31 37.955 23.643 20.655 232 HH TYR 31 HH TYR 31 40.154 21.036 19.665 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 15.885 23.859 16.085 2 H2 ALA 1 H2 ALA 1 14.613 24.783 16.585 3 H3 ALA 1 H3 ALA 1 14.460 23.143 16.508 4 HA ALA 1 HA ALA 1 14.719 24.088 18.774 5 HB1 ALA 1 HB1 ALA 1 16.745 22.031 17.790 6 HB2 ALA 1 HB2 ALA 1 16.367 22.346 19.492 7 HB3 ALA 1 HB3 ALA 1 15.113 21.707 18.419 8 H PHE 2 H PHE 2 15.697 25.683 19.884 9 HA PHE 2 HA PHE 2 18.178 26.905 18.839 10 HB2 PHE 2 HB2 PHE 2 16.283 27.798 21.020 11 HB3 PHE 2 HB3 PHE 2 17.616 28.742 20.369 12 HD1 PHE 2 HD1 PHE 2 17.343 28.303 17.420 13 HD2 PHE 2 HD2 PHE 2 14.361 29.033 20.456 14 HE1 PHE 2 HE1 PHE 2 15.822 29.191 15.709 15 HE2 PHE 2 HE2 PHE 2 12.854 29.988 18.732 16 HZ PHE 2 HZ PHE 2 13.567 30.050 16.346 17 H CYS 3 H CYS 3 19.767 27.801 20.465 18 HA CYS 3 HA CYS 3 21.102 25.664 21.756 19 HB2 CYS 3 HB2 CYS 3 22.286 27.581 20.886 20 HB3 CYS 3 HB3 CYS 3 21.371 28.673 21.911 21 H ASN 4 H ASN 4 21.111 24.827 23.768 22 HA ASN 4 HA ASN 4 20.165 26.445 26.095 23 HB2 ASN 4 HB2 ASN 4 19.510 23.552 25.407 24 HB3 ASN 4 HB3 ASN 4 19.343 24.222 27.022 25 HD21 ASN 4 HD21 ASN 4 16.599 25.230 24.184 26 HD22 ASN 4 HD22 ASN 4 18.111 24.513 23.677 27 H LEU 5 H LEU 5 22.267 27.022 26.675 28 HA LEU 5 HA LEU 5 24.516 25.332 26.374 29 HB2 LEU 5 HB2 LEU 5 24.590 27.755 26.422 30 HB3 LEU 5 HB3 LEU 5 24.146 27.800 28.131 31 HG LEU 5 HG LEU 5 26.593 26.240 27.290 32 HD11 LEU 5 HD11 LEU 5 26.802 28.406 26.122 33 HD12 LEU 5 HD12 LEU 5 26.563 29.250 27.670 34 HD13 LEU 5 HD13 LEU 5 27.997 28.236 27.419 35 HD21 LEU 5 HD21 LEU 5 27.493 27.088 29.453 36 HD22 LEU 5 HD22 LEU 5 25.993 27.995 29.724 37 HD23 LEU 5 HD23 LEU 5 25.988 26.219 29.713 38 H ARG 6 H ARG 6 22.449 25.784 29.255 39 HA ARG 6 HA ARG 6 24.243 24.302 31.050 40 HB2 ARG 6 HB2 ARG 6 21.346 25.204 31.252 41 HB3 ARG 6 HB3 ARG 6 22.173 24.323 32.536 42 HG2 ARG 6 HG2 ARG 6 23.799 26.056 32.857 43 HG3 ARG 6 HG3 ARG 6 23.288 26.929 31.405 44 HD2 ARG 6 HD2 ARG 6 21.500 26.478 33.827 45 HD3 ARG 6 HD3 ARG 6 22.496 27.916 33.579 46 HE ARG 6 HE ARG 6 21.241 28.226 31.386 47 HH11 ARG 6 HH11 ARG 6 19.594 27.185 34.340 48 HH12 ARG 6 HH12 ARG 6 18.042 27.200 33.504 49 HH21 ARG 6 HH21 ARG 6 19.150 28.326 30.524 50 HH22 ARG 6 HH22 ARG 6 17.808 27.895 31.583 51 H ARG 7 H ARG 7 21.486 23.402 29.007 52 HA ARG 7 HA ARG 7 21.450 20.592 29.816 53 HB2 ARG 7 HB2 ARG 7 20.533 22.010 27.266 54 HB3 ARG 7 HB3 ARG 7 20.335 20.296 27.530 55 HG2 ARG 7 HG2 ARG 7 19.056 22.529 29.150 56 HG3 ARG 7 HG3 ARG 7 18.265 21.444 28.010 57 HD2 ARG 7 HD2 ARG 7 19.352 20.797 30.768 58 HD3 ARG 7 HD3 ARG 7 17.692 20.675 30.179 59 HE ARG 7 HE ARG 7 19.573 18.950 28.735 60 HH11 ARG 7 HH11 ARG 7 17.413 18.953 31.553 61 HH12 ARG 7 HH12 ARG 7 17.617 17.201 31.679 62 HH21 ARG 7 HH21 ARG 7 19.715 16.811 29.098 63 HH22 ARG 7 HH22 ARG 7 18.688 16.090 30.346 64 H CYS 8 H CYS 8 23.188 22.372 27.264 65 HA CYS 8 HA CYS 8 24.495 20.118 26.131 66 HB2 CYS 8 HB2 CYS 8 24.277 22.261 25.015 67 HB3 CYS 8 HB3 CYS 8 25.256 23.050 26.246 68 H GLU 9 H GLU 9 25.755 22.386 28.709 69 HA GLU 9 HA GLU 9 28.222 20.991 28.886 70 HB2 GLU 9 HB2 GLU 9 28.841 22.320 30.547 71 HB3 GLU 9 HB3 GLU 9 27.745 23.319 29.633 72 HG2 GLU 9 HG2 GLU 9 26.910 23.870 31.604 73 HG3 GLU 9 HG3 GLU 9 26.011 22.372 31.524 74 H LEU 10 H LEU 10 25.181 20.316 30.597 75 HA LEU 10 HA LEU 10 26.146 18.361 32.452 76 HB2 LEU 10 HB2 LEU 10 24.074 19.312 32.949 77 HB3 LEU 10 HB3 LEU 10 23.610 19.438 31.263 78 HG LEU 10 HG LEU 10 23.189 17.079 31.125 79 HD11 LEU 10 HD11 LEU 10 24.549 16.290 33.132 80 HD12 LEU 10 HD12 LEU 10 23.376 17.105 34.180 81 HD13 LEU 10 HD13 LEU 10 22.869 15.734 33.182 82 HD21 LEU 10 HD21 LEU 10 21.609 18.567 33.257 83 HD22 LEU 10 HD22 LEU 10 21.376 18.674 31.499 84 HD23 LEU 10 HD23 LEU 10 21.034 17.157 32.347 85 H SER 11 H SER 11 25.015 18.246 29.068 86 HA SER 11 HA SER 11 25.093 15.385 28.751 87 HB2 SER 11 HB2 SER 11 23.919 17.087 27.278 88 HB3 SER 11 HB3 SER 11 25.497 17.504 26.603 89 HG SER 11 HG SER 11 23.885 15.341 26.191 90 H CYS 12 H CYS 12 27.492 17.931 27.869 91 HA CYS 12 HA CYS 12 29.550 16.143 27.064 92 HB2 CYS 12 HB2 CYS 12 29.710 18.968 28.140 93 HB3 CYS 12 HB3 CYS 12 30.998 18.142 27.280 94 H ARG 13 H ARG 13 28.673 17.236 30.319 95 HA ARG 13 HA ARG 13 31.051 16.570 31.707 96 HB2 ARG 13 HB2 ARG 13 28.752 17.653 32.498 97 HB3 ARG 13 HB3 ARG 13 28.327 15.991 32.912 98 HG2 ARG 13 HG2 ARG 13 30.519 15.900 34.241 99 HG3 ARG 13 HG3 ARG 13 30.706 17.625 33.915 100 HD2 ARG 13 HD2 ARG 13 28.528 16.229 35.485 101 HD3 ARG 13 HD3 ARG 13 29.741 17.334 36.097 102 HE ARG 13 HE ARG 13 28.647 19.154 34.754 103 HH11 ARG 13 HH11 ARG 13 26.675 16.377 35.769 104 HH12 ARG 13 HH12 ARG 13 25.249 17.353 35.897 105 HH21 ARG 13 HH21 ARG 13 26.658 20.247 34.666 106 HH22 ARG 13 HH22 ARG 13 25.250 19.437 35.315 107 H SER 14 H SER 14 28.508 14.453 30.498 108 HA SER 14 HA SER 14 29.236 12.028 31.772 109 HB2 SER 14 HB2 SER 14 27.176 12.578 30.335 110 HB3 SER 14 HB3 SER 14 28.236 12.323 28.927 111 HG SER 14 HG SER 14 27.426 10.546 30.963 112 H LEU 15 H LEU 15 30.568 13.635 28.917 113 HA LEU 15 HA LEU 15 32.351 11.450 28.155 114 HB2 LEU 15 HB2 LEU 15 32.511 14.361 27.295 115 HB3 LEU 15 HB3 LEU 15 33.119 12.945 26.449 116 HG LEU 15 HG LEU 15 30.224 13.750 26.807 117 HD11 LEU 15 HD11 LEU 15 30.275 14.112 24.393 118 HD12 LEU 15 HD12 LEU 15 31.536 15.080 25.181 119 HD13 LEU 15 HD13 LEU 15 31.971 13.586 24.322 120 HD21 LEU 15 HD21 LEU 15 29.733 11.870 25.215 121 HD22 LEU 15 HD22 LEU 15 31.425 11.352 25.341 122 HD23 LEU 15 HD23 LEU 15 30.361 11.277 26.760 123 H GLY 16 H GLY 16 32.492 14.235 30.230 124 HA2 GLY 16 HA2 GLY 16 34.161 14.350 31.996 125 HA3 GLY 16 HA3 GLY 16 35.386 13.777 30.864 126 H LEU 17 H LEU 17 33.282 16.116 29.387 127 HA LEU 17 HA LEU 17 35.230 18.308 29.944 128 HB2 LEU 17 HB2 LEU 17 35.074 18.800 27.437 129 HB3 LEU 17 HB3 LEU 17 36.194 17.591 28.031 130 HG LEU 17 HG LEU 17 33.503 16.716 26.976 131 HD11 LEU 17 HD11 LEU 17 34.447 16.614 24.716 132 HD12 LEU 17 HD12 LEU 17 34.472 18.288 25.313 133 HD13 LEU 17 HD13 LEU 17 35.965 17.338 25.293 134 HD21 LEU 17 HD21 LEU 17 36.315 15.503 26.826 135 HD22 LEU 17 HD22 LEU 17 35.048 14.963 27.928 136 HD23 LEU 17 HD23 LEU 17 34.840 14.760 26.185 137 H LEU 18 H LEU 18 34.561 20.387 28.755 138 HA LEU 18 HA LEU 18 31.988 21.213 29.888 139 HB2 LEU 18 HB2 LEU 18 33.912 22.916 28.264 140 HB3 LEU 18 HB3 LEU 18 32.609 23.420 29.297 141 HG LEU 18 HG LEU 18 34.008 22.300 31.236 142 HD11 LEU 18 HD11 LEU 18 36.149 22.940 29.153 143 HD12 LEU 18 HD12 LEU 18 36.452 22.617 30.876 144 HD13 LEU 18 HD13 LEU 18 35.821 21.339 29.850 145 HD21 LEU 18 HD21 LEU 18 33.478 24.690 31.078 146 HD22 LEU 18 HD22 LEU 18 35.167 24.469 31.557 147 HD23 LEU 18 HD23 LEU 18 34.779 24.929 29.889 148 H GLY 19 H GLY 19 30.707 22.775 28.393 149 HA2 GLY 19 HA2 GLY 19 30.600 22.007 25.559 150 HA3 GLY 19 HA3 GLY 19 29.195 21.510 26.502 151 H LYS 20 H LYS 20 29.538 23.403 24.262 152 HA LYS 20 HA LYS 20 27.685 25.410 25.183 153 HB2 LYS 20 HB2 LYS 20 28.936 27.403 24.541 154 HB3 LYS 20 HB3 LYS 20 29.655 26.562 25.881 155 HG2 LYS 20 HG2 LYS 20 31.419 27.305 24.602 156 HG3 LYS 20 HG3 LYS 20 31.363 25.569 24.283 157 HD2 LYS 20 HD2 LYS 20 30.287 26.006 22.092 158 HD3 LYS 20 HD3 LYS 20 30.228 27.739 22.440 159 HE2 LYS 20 HE2 LYS 20 32.728 26.020 22.142 160 HE3 LYS 20 HE3 LYS 20 32.066 27.122 20.921 161 HZ1 LYS 20 HZ1 LYS 20 32.425 28.947 22.549 162 HZ2 LYS 20 HZ2 LYS 20 33.220 27.892 23.541 163 HZ3 LYS 20 HZ3 LYS 20 33.832 28.212 22.068 164 H CYS 21 H CYS 21 27.277 27.012 23.096 165 HA CYS 21 HA CYS 21 26.494 24.999 21.076 166 HB2 CYS 21 HB2 CYS 21 25.558 27.800 21.688 167 HB3 CYS 21 HB3 CYS 21 24.883 26.779 20.423 168 H ILE 22 H ILE 22 26.641 25.272 18.866 169 HA ILE 22 HA ILE 22 27.740 27.706 17.713 170 HB ILE 22 HB ILE 22 29.765 26.401 18.181 171 HG12 ILE 22 HG12 ILE 22 29.239 26.552 15.185 172 HG13 ILE 22 HG13 ILE 22 29.462 27.965 16.221 173 HG21 ILE 22 HG21 ILE 22 28.781 24.337 16.174 174 HG22 ILE 22 HG22 ILE 22 30.303 24.315 17.084 175 HG23 ILE 22 HG23 ILE 22 28.764 24.096 17.927 176 HD11 ILE 22 HD11 ILE 22 31.572 27.485 15.208 177 HD12 ILE 22 HD12 ILE 22 31.694 27.081 16.926 178 HD13 ILE 22 HD13 ILE 22 31.514 25.786 15.714 179 H GLY 23 H GLY 23 26.464 28.223 16.086 180 HA2 GLY 23 HA2 GLY 23 24.803 28.093 14.470 181 HA3 GLY 23 HA3 GLY 23 25.204 26.392 14.203 182 H GLU 24 H GLU 24 24.196 27.917 17.269 183 HA GLU 24 HA GLU 24 22.685 27.432 18.799 184 HB2 GLU 24 HB2 GLU 24 20.836 27.033 16.436 185 HB3 GLU 24 HB3 GLU 24 20.307 27.183 18.108 186 HG2 GLU 24 HG2 GLU 24 21.886 29.318 16.610 187 HG3 GLU 24 HG3 GLU 24 20.147 29.303 16.843 188 H GLU 25 H GLU 25 24.163 24.986 17.528 189 HA GLU 25 HA GLU 25 22.711 23.039 19.238 190 HB2 GLU 25 HB2 GLU 25 23.318 21.230 17.713 191 HB3 GLU 25 HB3 GLU 25 22.228 22.426 17.007 192 HG2 GLU 25 HG2 GLU 25 24.327 23.474 15.922 193 HG3 GLU 25 HG3 GLU 25 25.165 21.999 16.387 194 H CYS 26 H CYS 26 23.869 21.509 20.331 195 HA CYS 26 HA CYS 26 26.069 22.647 21.702 196 HB2 CYS 26 HB2 CYS 26 24.293 21.361 22.733 197 HB3 CYS 26 HB3 CYS 26 24.695 19.954 21.768 198 H GLU 27 H GLU 27 28.212 22.352 21.717 199 HA GLU 27 HA GLU 27 29.391 19.857 20.666 200 HB2 GLU 27 HB2 GLU 27 30.185 22.649 19.824 201 HB3 GLU 27 HB3 GLU 27 31.373 21.360 19.862 202 HG2 GLU 27 HG2 GLU 27 28.799 21.273 18.231 203 HG3 GLU 27 HG3 GLU 27 30.377 21.739 17.619 204 H CYS 28 H CYS 28 30.806 18.969 21.997 205 HA CYS 28 HA CYS 28 31.400 20.253 24.553 206 HB2 CYS 28 HB2 CYS 28 32.257 17.539 23.533 207 HB3 CYS 28 HB3 CYS 28 32.215 18.108 25.207 208 H VAL 29 H VAL 29 33.320 20.966 25.353 209 HA VAL 29 HA VAL 29 35.779 20.904 23.691 210 HB VAL 29 HB VAL 29 36.061 23.356 23.906 211 HG11 VAL 29 HG11 VAL 29 35.257 22.401 21.790 212 HG12 VAL 29 HG12 VAL 29 33.573 22.620 22.324 213 HG13 VAL 29 HG13 VAL 29 34.627 24.024 22.075 214 HG21 VAL 29 HG21 VAL 29 34.163 24.819 24.332 215 HG22 VAL 29 HG22 VAL 29 33.123 23.430 24.696 216 HG23 VAL 29 HG23 VAL 29 34.495 23.825 25.755 217 HA PRO 30 HA PRO 30 37.528 21.259 27.863 218 HB2 PRO 30 HB2 PRO 30 40.119 20.963 27.321 219 HB3 PRO 30 HB3 PRO 30 38.963 19.703 26.809 220 HG2 PRO 30 HG2 PRO 30 40.139 21.957 25.137 221 HG3 PRO 30 HG3 PRO 30 40.040 20.211 24.729 222 HD2 PRO 30 HD2 PRO 30 38.154 22.125 23.941 223 HD3 PRO 30 HD3 PRO 30 37.810 20.378 24.143 224 H TYR 31 H TYR 31 37.901 23.825 25.644 225 HA TYR 31 HA TYR 31 40.111 25.208 26.452 226 HB2 TYR 31 HB2 TYR 31 37.633 26.478 25.306 227 HB3 TYR 31 HB3 TYR 31 39.288 27.024 25.141 228 HD1 TYR 31 HD1 TYR 31 36.880 26.004 23.148 229 HD2 TYR 31 HD2 TYR 31 40.757 24.545 24.368 230 HE1 TYR 31 HE1 TYR 31 37.115 24.794 20.973 231 HE2 TYR 31 HE2 TYR 31 40.995 23.342 22.202 232 HH TYR 31 HH TYR 31 40.048 22.918 20.124 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 17.572 30.773 17.402 2 H2 ALA 1 H2 ALA 1 15.907 30.822 17.370 3 H3 ALA 1 H3 ALA 1 16.702 29.400 17.210 4 HA ALA 1 HA ALA 1 16.650 31.067 19.610 5 HB1 ALA 1 HB1 ALA 1 15.434 29.206 20.654 6 HB2 ALA 1 HB2 ALA 1 14.547 29.835 19.253 7 HB3 ALA 1 HB3 ALA 1 15.453 28.310 19.118 8 H PHE 2 H PHE 2 18.264 30.922 20.963 9 HA PHE 2 HA PHE 2 20.652 29.597 20.265 10 HB2 PHE 2 HB2 PHE 2 19.777 30.755 22.937 11 HB3 PHE 2 HB3 PHE 2 21.425 30.310 22.520 12 HD1 PHE 2 HD1 PHE 2 18.980 32.951 22.384 13 HD2 PHE 2 HD2 PHE 2 22.471 31.362 20.401 14 HE1 PHE 2 HE1 PHE 2 19.324 35.130 21.224 15 HE2 PHE 2 HE2 PHE 2 22.798 33.521 19.238 16 HZ PHE 2 HZ PHE 2 21.231 35.408 19.657 17 H CYS 3 H CYS 3 21.827 27.899 21.210 18 HA CYS 3 HA CYS 3 20.371 25.550 21.781 19 HB2 CYS 3 HB2 CYS 3 23.139 25.580 22.792 20 HB3 CYS 3 HB3 CYS 3 22.345 24.525 21.631 21 H ASN 4 H ASN 4 19.900 24.425 23.727 22 HA ASN 4 HA ASN 4 19.923 25.808 26.266 23 HB2 ASN 4 HB2 ASN 4 18.339 24.045 25.490 24 HB3 ASN 4 HB3 ASN 4 19.596 22.841 25.760 25 HD21 ASN 4 HD21 ASN 4 17.310 23.553 28.788 26 HD22 ASN 4 HD22 ASN 4 16.917 23.547 27.050 27 H LEU 5 H LEU 5 22.023 26.468 26.739 28 HA LEU 5 HA LEU 5 24.322 24.742 26.557 29 HB2 LEU 5 HB2 LEU 5 24.431 27.188 26.308 30 HB3 LEU 5 HB3 LEU 5 23.925 27.391 27.984 31 HG LEU 5 HG LEU 5 25.994 26.288 28.768 32 HD11 LEU 5 HD11 LEU 5 27.879 25.953 27.165 33 HD12 LEU 5 HD12 LEU 5 26.555 24.830 26.866 34 HD13 LEU 5 HD13 LEU 5 26.771 26.250 25.812 35 HD21 LEU 5 HD21 LEU 5 26.492 28.560 26.800 36 HD22 LEU 5 HD22 LEU 5 25.878 28.726 28.465 37 HD23 LEU 5 HD23 LEU 5 27.516 28.119 28.187 38 H ARG 6 H ARG 6 22.033 25.509 29.174 39 HA ARG 6 HA ARG 6 23.492 24.220 31.303 40 HB2 ARG 6 HB2 ARG 6 20.490 24.616 30.950 41 HB3 ARG 6 HB3 ARG 6 21.254 23.970 32.406 42 HG2 ARG 6 HG2 ARG 6 22.630 26.072 32.578 43 HG3 ARG 6 HG3 ARG 6 21.691 26.755 31.245 44 HD2 ARG 6 HD2 ARG 6 20.560 25.800 33.913 45 HD3 ARG 6 HD3 ARG 6 20.899 27.485 33.489 46 HE ARG 6 HE ARG 6 19.187 26.476 31.476 47 HH11 ARG 6 HH11 ARG 6 18.854 27.218 34.938 48 HH12 ARG 6 HH12 ARG 6 17.139 27.305 34.796 49 HH21 ARG 6 HH21 ARG 6 17.096 26.632 31.390 50 HH22 ARG 6 HH22 ARG 6 16.152 27.211 32.747 51 H ARG 7 H ARG 7 21.074 22.808 29.020 52 HA ARG 7 HA ARG 7 21.473 20.074 29.957 53 HB2 ARG 7 HB2 ARG 7 20.302 21.256 27.420 54 HB3 ARG 7 HB3 ARG 7 20.615 19.529 27.582 55 HG2 ARG 7 HG2 ARG 7 19.207 19.440 29.629 56 HG3 ARG 7 HG3 ARG 7 18.805 21.148 29.407 57 HD2 ARG 7 HD2 ARG 7 16.998 19.776 28.523 58 HD3 ARG 7 HD3 ARG 7 17.791 20.624 27.207 59 HE ARG 7 HE ARG 7 18.704 18.594 26.387 60 HH11 ARG 7 HH11 ARG 7 17.033 17.787 29.418 61 HH12 ARG 7 HH12 ARG 7 16.665 16.178 28.828 62 HH21 ARG 7 HH21 ARG 7 18.076 16.552 25.766 63 HH22 ARG 7 HH22 ARG 7 17.571 15.429 27.011 64 H CYS 8 H CYS 8 23.046 21.982 27.376 65 HA CYS 8 HA CYS 8 24.585 19.878 26.288 66 HB2 CYS 8 HB2 CYS 8 24.212 22.101 25.286 67 HB3 CYS 8 HB3 CYS 8 25.247 22.822 26.519 68 H GLU 9 H GLU 9 25.554 22.184 28.928 69 HA GLU 9 HA GLU 9 28.148 21.075 29.341 70 HB2 GLU 9 HB2 GLU 9 26.251 22.564 31.185 71 HB3 GLU 9 HB3 GLU 9 27.901 22.150 31.641 72 HG2 GLU 9 HG2 GLU 9 27.442 23.698 29.077 73 HG3 GLU 9 HG3 GLU 9 27.313 24.514 30.631 74 H LEU 10 H LEU 10 25.064 20.283 31.102 75 HA LEU 10 HA LEU 10 26.356 18.213 32.630 76 HB2 LEU 10 HB2 LEU 10 24.226 17.686 33.496 77 HB3 LEU 10 HB3 LEU 10 24.402 19.427 33.353 78 HG LEU 10 HG LEU 10 23.029 19.217 31.180 79 HD11 LEU 10 HD11 LEU 10 22.949 16.778 30.871 80 HD12 LEU 10 HD12 LEU 10 22.265 16.576 32.502 81 HD13 LEU 10 HD13 LEU 10 21.340 17.380 31.217 82 HD21 LEU 10 HD21 LEU 10 20.918 19.341 32.457 83 HD22 LEU 10 HD22 LEU 10 21.732 18.647 33.877 84 HD23 LEU 10 HD23 LEU 10 22.202 20.244 33.261 85 H SER 11 H SER 11 25.307 18.218 29.396 86 HA SER 11 HA SER 11 25.255 15.275 29.092 87 HB2 SER 11 HB2 SER 11 25.418 17.418 26.933 88 HB3 SER 11 HB3 SER 11 25.178 15.684 26.693 89 HG SER 11 HG SER 11 23.465 17.550 27.984 90 H CYS 12 H CYS 12 27.541 17.908 28.087 91 HA CYS 12 HA CYS 12 29.651 16.167 27.339 92 HB2 CYS 12 HB2 CYS 12 29.797 19.003 28.424 93 HB3 CYS 12 HB3 CYS 12 31.059 18.168 27.503 94 H ARG 13 H ARG 13 28.744 17.342 30.552 95 HA ARG 13 HA ARG 13 30.957 16.470 32.068 96 HB2 ARG 13 HB2 ARG 13 29.001 17.817 32.823 97 HB3 ARG 13 HB3 ARG 13 28.007 16.353 32.824 98 HG2 ARG 13 HG2 ARG 13 29.412 15.367 34.595 99 HG3 ARG 13 HG3 ARG 13 30.558 16.715 34.456 100 HD2 ARG 13 HD2 ARG 13 29.226 17.192 36.360 101 HD3 ARG 13 HD3 ARG 13 28.688 18.283 35.072 102 HE ARG 13 HE ARG 13 27.033 15.935 35.054 103 HH11 ARG 13 HH11 ARG 13 27.491 18.842 37.009 104 HH12 ARG 13 HH12 ARG 13 25.930 18.605 37.758 105 HH21 ARG 13 HH21 ARG 13 25.077 15.901 35.893 106 HH22 ARG 13 HH22 ARG 13 24.626 16.971 37.223 107 H SER 14 H SER 14 28.405 14.423 30.614 108 HA SER 14 HA SER 14 29.104 12.004 32.046 109 HB2 SER 14 HB2 SER 14 27.000 12.248 30.742 110 HB3 SER 14 HB3 SER 14 27.954 12.282 29.242 111 HG SER 14 HG SER 14 27.268 10.170 29.600 112 H LEU 15 H LEU 15 30.512 13.648 29.239 113 HA LEU 15 HA LEU 15 32.471 11.505 28.707 114 HB2 LEU 15 HB2 LEU 15 32.578 14.326 27.644 115 HB3 LEU 15 HB3 LEU 15 33.219 12.850 26.932 116 HG LEU 15 HG LEU 15 30.304 13.698 27.101 117 HD11 LEU 15 HD11 LEU 15 30.492 13.947 24.668 118 HD12 LEU 15 HD12 LEU 15 31.664 14.980 25.498 119 HD13 LEU 15 HD13 LEU 15 32.202 13.471 24.731 120 HD21 LEU 15 HD21 LEU 15 29.861 11.761 25.595 121 HD22 LEU 15 HD22 LEU 15 31.555 11.252 25.745 122 HD23 LEU 15 HD23 LEU 15 30.478 11.211 27.157 123 H GLY 16 H GLY 16 32.269 14.522 30.490 124 HA2 GLY 16 HA2 GLY 16 33.654 15.144 32.313 125 HA3 GLY 16 HA3 GLY 16 34.976 14.167 31.682 126 H LEU 17 H LEU 17 33.117 16.409 29.608 127 HA LEU 17 HA LEU 17 35.252 18.454 29.804 128 HB2 LEU 17 HB2 LEU 17 35.202 18.591 27.252 129 HB3 LEU 17 HB3 LEU 17 36.198 17.387 28.032 130 HG LEU 17 HG LEU 17 33.457 16.513 27.146 131 HD11 LEU 17 HD11 LEU 17 34.193 16.228 24.847 132 HD12 LEU 17 HD12 LEU 17 34.294 17.938 25.297 133 HD13 LEU 17 HD13 LEU 17 35.770 16.961 25.216 134 HD21 LEU 17 HD21 LEU 17 35.078 14.879 28.146 135 HD22 LEU 17 HD22 LEU 17 34.777 14.503 26.436 136 HD23 LEU 17 HD23 LEU 17 36.270 15.306 26.909 137 H LEU 18 H LEU 18 34.679 20.300 28.150 138 HA LEU 18 HA LEU 18 32.143 21.378 29.229 139 HB2 LEU 18 HB2 LEU 18 34.599 22.711 28.047 140 HB3 LEU 18 HB3 LEU 18 33.191 23.576 28.671 141 HG LEU 18 HG LEU 18 34.828 21.651 30.358 142 HD11 LEU 18 HD11 LEU 18 35.941 23.606 31.310 143 HD12 LEU 18 HD12 LEU 18 36.233 23.538 29.566 144 HD13 LEU 18 HD13 LEU 18 35.027 24.671 30.221 145 HD21 LEU 18 HD21 LEU 18 32.658 22.018 31.320 146 HD22 LEU 18 HD22 LEU 18 33.813 22.973 32.245 147 HD23 LEU 18 HD23 LEU 18 32.761 23.765 31.044 148 H GLY 19 H GLY 19 30.717 22.489 28.108 149 HA2 GLY 19 HA2 GLY 19 30.414 21.771 25.207 150 HA3 GLY 19 HA3 GLY 19 29.116 22.230 26.296 151 H LYS 20 H LYS 20 29.979 23.278 23.582 152 HA LYS 20 HA LYS 20 29.537 26.132 24.291 153 HB2 LYS 20 HB2 LYS 20 31.675 25.267 22.289 154 HB3 LYS 20 HB3 LYS 20 31.008 26.890 22.430 155 HG2 LYS 20 HG2 LYS 20 32.795 27.230 23.757 156 HG3 LYS 20 HG3 LYS 20 31.668 26.647 24.978 157 HD2 LYS 20 HD2 LYS 20 32.699 24.267 24.317 158 HD3 LYS 20 HD3 LYS 20 34.004 25.253 23.662 159 HE2 LYS 20 HE2 LYS 20 33.031 25.093 26.543 160 HE3 LYS 20 HE3 LYS 20 34.608 24.595 25.905 161 HZ1 LYS 20 HZ1 LYS 20 35.000 26.999 25.394 162 HZ2 LYS 20 HZ2 LYS 20 33.595 27.367 26.209 163 HZ3 LYS 20 HZ3 LYS 20 34.864 26.683 26.980 164 H CYS 21 H CYS 21 28.234 27.245 23.073 165 HA CYS 21 HA CYS 21 26.604 25.808 21.042 166 HB2 CYS 21 HB2 CYS 21 25.456 26.634 23.002 167 HB3 CYS 21 HB3 CYS 21 26.187 28.224 22.817 168 H ILE 22 H ILE 22 26.720 26.272 18.921 169 HA ILE 22 HA ILE 22 26.666 29.009 18.037 170 HB ILE 22 HB ILE 22 29.091 28.727 18.194 171 HG12 ILE 22 HG12 ILE 22 28.293 28.821 15.260 172 HG13 ILE 22 HG13 ILE 22 27.934 30.111 16.413 173 HG21 ILE 22 HG21 ILE 22 30.349 27.175 16.793 174 HG22 ILE 22 HG22 ILE 22 29.245 26.270 17.812 175 HG23 ILE 22 HG23 ILE 22 28.855 26.523 16.095 176 HD11 ILE 22 HD11 ILE 22 30.345 30.331 16.947 177 HD12 ILE 22 HD12 ILE 22 30.705 29.121 15.693 178 HD13 ILE 22 HD13 ILE 22 29.964 30.667 15.239 179 H GLY 23 H GLY 23 25.624 29.217 16.048 180 HA2 GLY 23 HA2 GLY 23 24.221 28.609 14.345 181 HA3 GLY 23 HA3 GLY 23 25.180 27.133 14.145 182 H GLU 24 H GLU 24 23.269 28.185 16.955 183 HA GLU 24 HA GLU 24 21.754 27.218 18.273 184 HB2 GLU 24 HB2 GLU 24 20.391 26.052 15.878 185 HB3 GLU 24 HB3 GLU 24 19.685 26.740 17.330 186 HG2 GLU 24 HG2 GLU 24 20.977 28.243 15.013 187 HG3 GLU 24 HG3 GLU 24 19.276 28.107 15.378 188 H GLU 25 H GLU 25 23.989 25.239 17.148 189 HA GLU 25 HA GLU 25 22.886 22.971 18.732 190 HB2 GLU 25 HB2 GLU 25 24.761 22.764 16.360 191 HB3 GLU 25 HB3 GLU 25 24.291 21.424 17.395 192 HG2 GLU 25 HG2 GLU 25 22.328 23.017 15.677 193 HG3 GLU 25 HG3 GLU 25 23.150 21.557 15.158 194 H CYS 26 H CYS 26 24.110 22.215 20.367 195 HA CYS 26 HA CYS 26 26.698 23.609 20.881 196 HB2 CYS 26 HB2 CYS 26 24.896 24.189 22.395 197 HB3 CYS 26 HB3 CYS 26 24.665 22.500 22.828 198 H GLU 27 H GLU 27 28.543 22.485 21.380 199 HA GLU 27 HA GLU 27 28.424 19.508 21.411 200 HB2 GLU 27 HB2 GLU 27 30.234 21.092 19.534 201 HB3 GLU 27 HB3 GLU 27 30.241 19.351 19.807 202 HG2 GLU 27 HG2 GLU 27 27.676 19.557 19.092 203 HG3 GLU 27 HG3 GLU 27 28.254 21.014 18.281 204 H CYS 28 H CYS 28 30.366 18.488 22.150 205 HA CYS 28 HA CYS 28 31.564 20.031 24.347 206 HB2 CYS 28 HB2 CYS 28 31.959 17.104 23.759 207 HB3 CYS 28 HB3 CYS 28 32.089 17.948 25.294 208 H VAL 29 H VAL 29 33.752 20.455 24.596 209 HA VAL 29 HA VAL 29 35.655 19.343 22.615 210 HB VAL 29 HB VAL 29 36.753 21.486 22.272 211 HG11 VAL 29 HG11 VAL 29 35.087 20.656 20.630 212 HG12 VAL 29 HG12 VAL 29 33.830 21.620 21.439 213 HG13 VAL 29 HG13 VAL 29 35.204 22.422 20.665 214 HG21 VAL 29 HG21 VAL 29 34.376 22.700 23.725 215 HG22 VAL 29 HG22 VAL 29 36.078 22.774 24.231 216 HG23 VAL 29 HG23 VAL 29 35.561 23.611 22.763 217 HA PRO 30 HA PRO 30 38.167 18.835 26.196 218 HB2 PRO 30 HB2 PRO 30 40.586 18.214 25.106 219 HB3 PRO 30 HB3 PRO 30 39.148 17.162 24.921 220 HG2 PRO 30 HG2 PRO 30 40.221 19.223 22.973 221 HG3 PRO 30 HG3 PRO 30 39.767 17.522 22.638 222 HD2 PRO 30 HD2 PRO 30 38.055 19.593 22.179 223 HD3 PRO 30 HD3 PRO 30 37.474 18.010 22.757 224 H TYR 31 H TYR 31 38.519 21.602 24.362 225 HA TYR 31 HA TYR 31 41.050 22.627 25.047 226 HB2 TYR 31 HB2 TYR 31 38.639 24.278 24.293 227 HB3 TYR 31 HB3 TYR 31 40.333 24.610 23.946 228 HD1 TYR 31 HD1 TYR 31 41.052 21.758 22.859 229 HD2 TYR 31 HD2 TYR 31 37.807 24.485 22.076 230 HE1 TYR 31 HE1 TYR 31 40.629 20.637 20.679 231 HE2 TYR 31 HE2 TYR 31 37.407 23.380 19.891 232 HH TYR 31 HH TYR 31 37.903 21.537 18.553 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 16.293 31.446 17.559 2 H2 ALA 1 H2 ALA 1 14.652 31.369 17.726 3 H3 ALA 1 H3 ALA 1 15.567 29.991 17.660 4 HA ALA 1 HA ALA 1 15.660 31.994 19.800 5 HB1 ALA 1 HB1 ALA 1 14.538 29.158 19.878 6 HB2 ALA 1 HB2 ALA 1 14.635 30.292 21.241 7 HB3 ALA 1 HB3 ALA 1 13.572 30.653 19.868 8 H PHE 2 H PHE 2 17.086 31.434 21.590 9 HA PHE 2 HA PHE 2 19.585 30.486 20.423 10 HB2 PHE 2 HB2 PHE 2 18.952 31.789 23.081 11 HB3 PHE 2 HB3 PHE 2 20.569 31.418 22.502 12 HD1 PHE 2 HD1 PHE 2 21.251 32.340 20.160 13 HD2 PHE 2 HD2 PHE 2 17.948 33.896 22.454 14 HE1 PHE 2 HE1 PHE 2 21.282 34.408 18.801 15 HE2 PHE 2 HE2 PHE 2 18.008 35.984 21.123 16 HZ PHE 2 HZ PHE 2 19.679 36.248 19.292 17 H CYS 3 H CYS 3 21.073 29.110 21.410 18 HA CYS 3 HA CYS 3 20.209 26.545 21.703 19 HB2 CYS 3 HB2 CYS 3 22.442 25.970 22.201 20 HB3 CYS 3 HB3 CYS 3 22.537 27.415 21.204 21 H ASN 4 H ASN 4 20.304 24.926 23.295 22 HA ASN 4 HA ASN 4 19.663 25.760 26.077 23 HB2 ASN 4 HB2 ASN 4 19.307 23.208 24.510 24 HB3 ASN 4 HB3 ASN 4 19.251 23.214 26.266 25 HD21 ASN 4 HD21 ASN 4 16.081 24.731 24.318 26 HD22 ASN 4 HD22 ASN 4 17.396 23.944 23.456 27 H LEU 5 H LEU 5 21.695 26.560 26.633 28 HA LEU 5 HA LEU 5 24.140 25.095 26.256 29 HB2 LEU 5 HB2 LEU 5 24.041 27.552 26.384 30 HB3 LEU 5 HB3 LEU 5 23.462 27.453 28.045 31 HG LEU 5 HG LEU 5 25.596 26.461 28.771 32 HD11 LEU 5 HD11 LEU 5 26.351 25.360 26.684 33 HD12 LEU 5 HD12 LEU 5 26.537 26.955 25.911 34 HD13 LEU 5 HD13 LEU 5 27.564 26.486 27.283 35 HD21 LEU 5 HD21 LEU 5 26.957 28.482 28.532 36 HD22 LEU 5 HD22 LEU 5 25.927 29.041 27.191 37 HD23 LEU 5 HD23 LEU 5 25.264 28.901 28.835 38 H ARG 6 H ARG 6 21.840 25.276 29.009 39 HA ARG 6 HA ARG 6 23.605 23.905 30.871 40 HB2 ARG 6 HB2 ARG 6 20.578 24.173 30.915 41 HB3 ARG 6 HB3 ARG 6 21.580 23.535 32.223 42 HG2 ARG 6 HG2 ARG 6 22.826 25.732 32.252 43 HG3 ARG 6 HG3 ARG 6 21.641 26.376 31.107 44 HD2 ARG 6 HD2 ARG 6 21.136 25.379 33.937 45 HD3 ARG 6 HD3 ARG 6 21.068 27.047 33.396 46 HE ARG 6 HE ARG 6 19.047 24.951 33.088 47 HH11 ARG 6 HH11 ARG 6 19.962 28.150 31.894 48 HH12 ARG 6 HH12 ARG 6 18.370 28.460 31.272 49 HH21 ARG 6 HH21 ARG 6 17.090 25.384 32.186 50 HH22 ARG 6 HH22 ARG 6 16.864 26.846 31.242 51 H ARG 7 H ARG 7 20.948 22.657 28.774 52 HA ARG 7 HA ARG 7 21.406 19.875 29.295 53 HB2 ARG 7 HB2 ARG 7 20.502 21.214 26.708 54 HB3 ARG 7 HB3 ARG 7 20.503 19.476 27.010 55 HG2 ARG 7 HG2 ARG 7 18.924 19.776 28.898 56 HG3 ARG 7 HG3 ARG 7 18.865 21.511 28.548 57 HD2 ARG 7 HD2 ARG 7 18.110 20.929 26.196 58 HD3 ARG 7 HD3 ARG 7 17.984 19.237 26.719 59 HE ARG 7 HE ARG 7 16.521 20.645 28.605 60 HH11 ARG 7 HH11 ARG 7 16.187 20.298 25.101 61 HH12 ARG 7 HH12 ARG 7 14.503 20.792 25.176 62 HH21 ARG 7 HH21 ARG 7 14.335 21.183 28.543 63 HH22 ARG 7 HH22 ARG 7 13.537 21.211 26.985 64 H CYS 8 H CYS 8 23.006 21.996 26.877 65 HA CYS 8 HA CYS 8 24.642 19.990 25.718 66 HB2 CYS 8 HB2 CYS 8 24.316 22.190 24.722 67 HB3 CYS 8 HB3 CYS 8 25.094 22.972 26.097 68 H GLU 9 H GLU 9 25.465 22.274 28.373 69 HA GLU 9 HA GLU 9 28.068 21.286 28.898 70 HB2 GLU 9 HB2 GLU 9 25.989 22.784 30.519 71 HB3 GLU 9 HB3 GLU 9 27.517 22.308 31.253 72 HG2 GLU 9 HG2 GLU 9 27.566 23.781 28.606 73 HG3 GLU 9 HG3 GLU 9 27.250 24.660 30.099 74 H LEU 10 H LEU 10 24.975 20.355 30.605 75 HA LEU 10 HA LEU 10 26.389 18.533 32.296 76 HB2 LEU 10 HB2 LEU 10 24.320 17.858 33.136 77 HB3 LEU 10 HB3 LEU 10 24.166 19.543 32.735 78 HG LEU 10 HG LEU 10 23.089 18.605 30.482 79 HD11 LEU 10 HD11 LEU 10 22.558 16.348 32.480 80 HD12 LEU 10 HD12 LEU 10 21.725 16.570 30.933 81 HD13 LEU 10 HD13 LEU 10 23.440 16.178 30.953 82 HD21 LEU 10 HD21 LEU 10 20.879 18.715 31.554 83 HD22 LEU 10 HD22 LEU 10 21.630 18.572 33.158 84 HD23 LEU 10 HD23 LEU 10 21.926 20.003 32.150 85 H SER 11 H SER 11 25.040 18.121 29.068 86 HA SER 11 HA SER 11 25.334 15.265 28.887 87 HB2 SER 11 HB2 SER 11 25.323 17.345 26.661 88 HB3 SER 11 HB3 SER 11 25.133 15.595 26.468 89 HG SER 11 HG SER 11 23.419 17.493 27.626 90 H CYS 12 H CYS 12 27.553 17.953 27.819 91 HA CYS 12 HA CYS 12 29.627 16.143 26.954 92 HB2 CYS 12 HB2 CYS 12 29.796 19.033 27.864 93 HB3 CYS 12 HB3 CYS 12 31.073 18.154 27.032 94 H ARG 13 H ARG 13 29.095 17.854 30.114 95 HA ARG 13 HA ARG 13 31.534 17.064 31.299 96 HB2 ARG 13 HB2 ARG 13 28.863 17.979 32.405 97 HB3 ARG 13 HB3 ARG 13 30.293 17.729 33.396 98 HG2 ARG 13 HG2 ARG 13 31.588 19.354 32.093 99 HG3 ARG 13 HG3 ARG 13 30.215 19.633 31.025 100 HD2 ARG 13 HD2 ARG 13 28.866 20.292 33.087 101 HD3 ARG 13 HD3 ARG 13 30.389 20.197 33.996 102 HE ARG 13 HE ARG 13 30.154 21.943 31.581 103 HH11 ARG 13 HH11 ARG 13 30.746 21.856 35.069 104 HH12 ARG 13 HH12 ARG 13 31.531 23.430 35.005 105 HH21 ARG 13 HH21 ARG 13 30.666 24.070 31.760 106 HH22 ARG 13 HH22 ARG 13 31.321 24.715 33.242 107 H SER 14 H SER 14 28.513 15.314 31.003 108 HA SER 14 HA SER 14 29.082 13.158 32.803 109 HB2 SER 14 HB2 SER 14 27.370 11.992 31.767 110 HB3 SER 14 HB3 SER 14 26.887 13.670 31.547 111 HG SER 14 HG SER 14 27.553 13.539 29.376 112 H LEU 15 H LEU 15 30.311 13.857 29.552 113 HA LEU 15 HA LEU 15 31.663 11.275 29.231 114 HB2 LEU 15 HB2 LEU 15 32.156 13.771 27.598 115 HB3 LEU 15 HB3 LEU 15 32.389 12.094 27.128 116 HG LEU 15 HG LEU 15 29.759 13.547 27.521 117 HD11 LEU 15 HD11 LEU 15 29.526 13.273 25.074 118 HD12 LEU 15 HD12 LEU 15 30.952 14.234 25.505 119 HD13 LEU 15 HD13 LEU 15 31.141 12.536 25.010 120 HD21 LEU 15 HD21 LEU 15 29.503 11.130 28.082 121 HD22 LEU 15 HD22 LEU 15 28.703 11.501 26.552 122 HD23 LEU 15 HD23 LEU 15 30.284 10.692 26.546 123 H GLY 16 H GLY 16 32.372 14.369 30.613 124 HA2 GLY 16 HA2 GLY 16 34.269 14.539 32.142 125 HA3 GLY 16 HA3 GLY 16 35.260 13.663 30.984 126 H LEU 17 H LEU 17 33.232 16.066 29.402 127 HA LEU 17 HA LEU 17 35.352 18.141 29.638 128 HB2 LEU 17 HB2 LEU 17 35.227 18.360 27.161 129 HB3 LEU 17 HB3 LEU 17 36.151 16.995 27.775 130 HG LEU 17 HG LEU 17 33.285 16.660 26.832 131 HD11 LEU 17 HD11 LEU 17 34.144 16.173 24.589 132 HD12 LEU 17 HD12 LEU 17 34.580 17.823 25.061 133 HD13 LEU 17 HD13 LEU 17 35.805 16.546 25.118 134 HD21 LEU 17 HD21 LEU 17 34.108 14.388 26.165 135 HD22 LEU 17 HD22 LEU 17 35.723 14.790 26.787 136 HD23 LEU 17 HD23 LEU 17 34.352 14.641 27.887 137 H LEU 18 H LEU 18 34.742 20.238 28.595 138 HA LEU 18 HA LEU 18 32.012 20.911 29.484 139 HB2 LEU 18 HB2 LEU 18 34.477 22.528 28.781 140 HB3 LEU 18 HB3 LEU 18 32.884 23.273 28.814 141 HG LEU 18 HG LEU 18 32.543 22.398 31.139 142 HD11 LEU 18 HD11 LEU 18 34.561 21.941 32.503 143 HD12 LEU 18 HD12 LEU 18 34.237 20.665 31.330 144 HD13 LEU 18 HD13 LEU 18 35.530 21.845 31.011 145 HD21 LEU 18 HD21 LEU 18 34.854 24.318 30.693 146 HD22 LEU 18 HD22 LEU 18 33.131 24.733 30.664 147 HD23 LEU 18 HD23 LEU 18 33.876 24.190 32.171 148 H GLY 19 H GLY 19 30.506 22.066 28.360 149 HA2 GLY 19 HA2 GLY 19 30.411 21.569 25.406 150 HA3 GLY 19 HA3 GLY 19 29.020 21.644 26.476 151 H LYS 20 H LYS 20 30.007 23.175 24.010 152 HA LYS 20 HA LYS 20 29.192 25.902 24.938 153 HB2 LYS 20 HB2 LYS 20 31.372 25.259 22.890 154 HB3 LYS 20 HB3 LYS 20 30.670 26.844 23.157 155 HG2 LYS 20 HG2 LYS 20 32.686 26.945 24.249 156 HG3 LYS 20 HG3 LYS 20 31.516 26.748 25.560 157 HD2 LYS 20 HD2 LYS 20 32.204 24.406 25.836 158 HD3 LYS 20 HD3 LYS 20 33.093 24.455 24.330 159 HE2 LYS 20 HE2 LYS 20 34.617 24.516 26.219 160 HE3 LYS 20 HE3 LYS 20 34.724 26.040 25.346 161 HZ1 LYS 20 HZ1 LYS 20 33.027 25.754 27.776 162 HZ2 LYS 20 HZ2 LYS 20 34.617 26.143 27.866 163 HZ3 LYS 20 HZ3 LYS 20 33.571 27.135 27.109 164 H CYS 21 H CYS 21 28.267 27.199 23.078 165 HA CYS 21 HA CYS 21 26.609 25.409 21.376 166 HB2 CYS 21 HB2 CYS 21 26.247 28.281 22.268 167 HB3 CYS 21 HB3 CYS 21 25.181 27.410 21.178 168 H ILE 22 H ILE 22 26.550 25.545 19.188 169 HA ILE 22 HA ILE 22 27.392 27.975 17.823 170 HB ILE 22 HB ILE 22 29.502 26.699 18.001 171 HG12 ILE 22 HG12 ILE 22 28.458 26.939 15.149 172 HG13 ILE 22 HG13 ILE 22 28.969 28.290 16.165 173 HG21 ILE 22 HG21 ILE 22 28.261 24.630 16.134 174 HG22 ILE 22 HG22 ILE 22 29.892 24.631 16.828 175 HG23 ILE 22 HG23 ILE 22 28.496 24.382 17.877 176 HD11 ILE 22 HD11 ILE 22 30.725 26.034 15.169 177 HD12 ILE 22 HD12 ILE 22 30.789 27.739 14.701 178 HD13 ILE 22 HD13 ILE 22 31.246 27.263 16.352 179 H GLY 23 H GLY 23 26.144 28.327 15.980 180 HA2 GLY 23 HA2 GLY 23 24.291 28.080 14.615 181 HA3 GLY 23 HA3 GLY 23 24.702 26.367 14.470 182 H GLU 24 H GLU 24 23.951 27.995 17.485 183 HA GLU 24 HA GLU 24 22.698 27.533 19.197 184 HB2 GLU 24 HB2 GLU 24 20.375 27.232 17.281 185 HB3 GLU 24 HB3 GLU 24 20.308 27.644 19.000 186 HG2 GLU 24 HG2 GLU 24 21.323 29.332 16.705 187 HG3 GLU 24 HG3 GLU 24 20.036 29.692 17.833 188 H GLU 25 H GLU 25 23.949 25.152 17.920 189 HA GLU 25 HA GLU 25 22.519 23.063 19.514 190 HB2 GLU 25 HB2 GLU 25 24.126 22.700 16.965 191 HB3 GLU 25 HB3 GLU 25 23.440 21.403 17.925 192 HG2 GLU 25 HG2 GLU 25 21.918 23.522 16.375 193 HG3 GLU 25 HG3 GLU 25 22.092 21.838 15.942 194 H CYS 26 H CYS 26 24.054 21.320 20.245 195 HA CYS 26 HA CYS 26 26.117 22.662 21.800 196 HB2 CYS 26 HB2 CYS 26 24.472 21.050 22.699 197 HB3 CYS 26 HB3 CYS 26 25.161 19.785 21.695 198 H GLU 27 H GLU 27 28.337 22.320 21.876 199 HA GLU 27 HA GLU 27 29.572 20.108 20.359 200 HB2 GLU 27 HB2 GLU 27 30.107 23.083 20.010 201 HB3 GLU 27 HB3 GLU 27 31.450 21.953 19.907 202 HG2 GLU 27 HG2 GLU 27 28.974 21.921 18.140 203 HG3 GLU 27 HG3 GLU 27 30.570 22.456 17.700 204 H CYS 28 H CYS 28 31.030 19.059 21.605 205 HA CYS 28 HA CYS 28 31.802 20.232 24.233 206 HB2 CYS 28 HB2 CYS 28 32.348 17.435 23.258 207 HB3 CYS 28 HB3 CYS 28 32.347 18.047 24.918 208 H VAL 29 H VAL 29 34.006 20.502 24.833 209 HA VAL 29 HA VAL 29 36.085 19.821 22.813 210 HB VAL 29 HB VAL 29 37.278 21.940 23.188 211 HG11 VAL 29 HG11 VAL 29 35.862 21.617 21.188 212 HG12 VAL 29 HG12 VAL 29 34.496 22.369 22.043 213 HG13 VAL 29 HG13 VAL 29 35.957 23.309 21.695 214 HG21 VAL 29 HG21 VAL 29 36.334 22.701 25.307 215 HG22 VAL 29 HG22 VAL 29 36.066 23.908 24.050 216 HG23 VAL 29 HG23 VAL 29 34.728 22.854 24.564 217 HA PRO 30 HA PRO 30 38.020 18.075 26.303 218 HB2 PRO 30 HB2 PRO 30 40.613 17.739 25.484 219 HB3 PRO 30 HB3 PRO 30 39.237 16.861 24.755 220 HG2 PRO 30 HG2 PRO 30 40.552 19.414 23.751 221 HG3 PRO 30 HG3 PRO 30 40.221 17.908 22.832 222 HD2 PRO 30 HD2 PRO 30 38.519 20.006 22.729 223 HD3 PRO 30 HD3 PRO 30 37.892 18.333 22.792 224 H TYR 31 H TYR 31 38.966 21.266 25.438 225 HA TYR 31 HA TYR 31 41.154 21.667 27.246 226 HB2 TYR 31 HB2 TYR 31 39.355 23.766 25.994 227 HB3 TYR 31 HB3 TYR 31 41.021 23.963 26.525 228 HD1 TYR 31 HD1 TYR 31 39.119 23.808 23.661 229 HD2 TYR 31 HD2 TYR 31 42.614 21.944 25.369 230 HE1 TYR 31 HE1 TYR 31 39.896 23.166 21.379 231 HE2 TYR 31 HE2 TYR 31 43.374 21.292 23.087 232 HH TYR 31 HH TYR 31 41.938 22.485 20.165 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 15.131 25.941 17.619 2 H2 ALA 1 H2 ALA 1 14.079 26.752 18.622 3 H3 ALA 1 H3 ALA 1 13.622 25.355 17.883 4 HA ALA 1 HA ALA 1 14.092 25.042 20.204 5 HB1 ALA 1 HB1 ALA 1 15.563 23.099 19.977 6 HB2 ALA 1 HB2 ALA 1 14.396 23.134 18.657 7 HB3 ALA 1 HB3 ALA 1 16.078 23.636 18.361 8 H PHE 2 H PHE 2 15.377 25.429 21.945 9 HA PHE 2 HA PHE 2 17.346 27.564 21.638 10 HB2 PHE 2 HB2 PHE 2 16.194 26.144 24.057 11 HB3 PHE 2 HB3 PHE 2 17.375 27.449 24.130 12 HD1 PHE 2 HD1 PHE 2 16.815 29.654 22.859 13 HD2 PHE 2 HD2 PHE 2 13.874 26.725 24.037 14 HE1 PHE 2 HE1 PHE 2 15.040 31.366 22.679 15 HE2 PHE 2 HE2 PHE 2 12.102 28.461 23.892 16 HZ PHE 2 HZ PHE 2 12.673 30.783 23.219 17 H CYS 3 H CYS 3 19.463 27.428 21.626 18 HA CYS 3 HA CYS 3 20.961 24.981 21.920 19 HB2 CYS 3 HB2 CYS 3 21.327 27.015 20.387 20 HB3 CYS 3 HB3 CYS 3 21.991 27.838 21.805 21 H ASN 4 H ASN 4 19.724 25.044 24.325 22 HA ASN 4 HA ASN 4 20.725 26.707 26.331 23 HB2 ASN 4 HB2 ASN 4 18.612 25.382 26.416 24 HB3 ASN 4 HB3 ASN 4 19.574 23.934 26.687 25 HD21 ASN 4 HD21 ASN 4 18.782 26.356 29.795 26 HD22 ASN 4 HD22 ASN 4 18.133 26.689 28.178 27 H LEU 5 H LEU 5 22.620 26.912 27.270 28 HA LEU 5 HA LEU 5 24.758 25.099 26.770 29 HB2 LEU 5 HB2 LEU 5 24.717 27.671 27.165 30 HB3 LEU 5 HB3 LEU 5 24.675 27.286 28.875 31 HG LEU 5 HG LEU 5 26.816 25.882 28.430 32 HD11 LEU 5 HD11 LEU 5 26.741 25.795 25.982 33 HD12 LEU 5 HD12 LEU 5 26.693 27.572 25.881 34 HD13 LEU 5 HD13 LEU 5 28.145 26.754 26.475 35 HD21 LEU 5 HD21 LEU 5 26.879 28.905 28.067 36 HD22 LEU 5 HD22 LEU 5 26.852 28.023 29.615 37 HD23 LEU 5 HD23 LEU 5 28.255 27.885 28.550 38 H ARG 6 H ARG 6 22.773 25.613 29.715 39 HA ARG 6 HA ARG 6 24.279 23.876 31.452 40 HB2 ARG 6 HB2 ARG 6 22.617 25.601 32.214 41 HB3 ARG 6 HB3 ARG 6 21.321 24.679 31.487 42 HG2 ARG 6 HG2 ARG 6 22.176 22.747 33.125 43 HG3 ARG 6 HG3 ARG 6 22.945 24.088 33.976 44 HD2 ARG 6 HD2 ARG 6 20.812 23.642 34.993 45 HD3 ARG 6 HD3 ARG 6 20.696 25.193 34.145 46 HE ARG 6 HE ARG 6 19.155 24.259 32.651 47 HH11 ARG 6 HH11 ARG 6 20.309 21.539 34.659 48 HH12 ARG 6 HH12 ARG 6 19.160 20.490 33.835 49 HH21 ARG 6 HH21 ARG 6 17.811 22.839 31.844 50 HH22 ARG 6 HH22 ARG 6 17.815 21.158 32.410 51 H ARG 7 H ARG 7 21.333 23.273 29.528 52 HA ARG 7 HA ARG 7 20.938 20.499 30.135 53 HB2 ARG 7 HB2 ARG 7 19.323 22.136 29.059 54 HB3 ARG 7 HB3 ARG 7 20.322 22.077 27.609 55 HG2 ARG 7 HG2 ARG 7 19.827 19.547 27.539 56 HG3 ARG 7 HG3 ARG 7 18.634 19.855 28.814 57 HD2 ARG 7 HD2 ARG 7 17.466 19.892 26.723 58 HD3 ARG 7 HD3 ARG 7 17.580 21.572 27.265 59 HE ARG 7 HE ARG 7 19.621 20.465 25.359 60 HH11 ARG 7 HH11 ARG 7 17.010 22.895 25.793 61 HH12 ARG 7 HH12 ARG 7 17.311 23.466 24.175 62 HH21 ARG 7 HH21 ARG 7 19.891 21.472 23.384 63 HH22 ARG 7 HH22 ARG 7 18.851 22.822 22.984 64 H CYS 8 H CYS 8 22.863 22.096 27.617 65 HA CYS 8 HA CYS 8 23.755 19.681 26.318 66 HB2 CYS 8 HB2 CYS 8 23.609 21.877 25.286 67 HB3 CYS 8 HB3 CYS 8 24.773 22.540 26.421 68 H GLU 9 H GLU 9 25.464 21.876 28.690 69 HA GLU 9 HA GLU 9 27.782 20.253 28.666 70 HB2 GLU 9 HB2 GLU 9 28.729 21.645 30.195 71 HB3 GLU 9 HB3 GLU 9 27.685 22.670 29.226 72 HG2 GLU 9 HG2 GLU 9 26.628 23.419 31.018 73 HG3 GLU 9 HG3 GLU 9 26.228 21.810 31.584 74 H LEU 10 H LEU 10 24.940 19.938 30.765 75 HA LEU 10 HA LEU 10 26.194 18.110 32.585 76 HB2 LEU 10 HB2 LEU 10 24.088 17.660 33.464 77 HB3 LEU 10 HB3 LEU 10 24.097 19.340 32.976 78 HG LEU 10 HG LEU 10 22.895 18.442 30.811 79 HD11 LEU 10 HD11 LEU 10 23.024 16.006 31.288 80 HD12 LEU 10 HD12 LEU 10 22.201 16.275 32.835 81 HD13 LEU 10 HD13 LEU 10 21.350 16.559 31.302 82 HD21 LEU 10 HD21 LEU 10 21.496 18.583 33.505 83 HD22 LEU 10 HD22 LEU 10 21.894 19.967 32.469 84 HD23 LEU 10 HD23 LEU 10 20.713 18.762 31.919 85 H SER 11 H SER 11 25.059 17.619 29.322 86 HA SER 11 HA SER 11 25.256 14.685 29.434 87 HB2 SER 11 HB2 SER 11 24.808 14.642 27.171 88 HB3 SER 11 HB3 SER 11 23.893 16.054 27.708 89 HG SER 11 HG SER 11 25.520 17.378 26.859 90 H CYS 12 H CYS 12 27.412 17.386 28.528 91 HA CYS 12 HA CYS 12 29.597 15.783 27.639 92 HB2 CYS 12 HB2 CYS 12 29.731 18.552 28.855 93 HB3 CYS 12 HB3 CYS 12 30.851 17.826 27.698 94 H ARG 13 H ARG 13 28.471 16.455 30.820 95 HA ARG 13 HA ARG 13 30.783 16.261 32.412 96 HB2 ARG 13 HB2 ARG 13 28.277 16.900 32.865 97 HB3 ARG 13 HB3 ARG 13 28.057 15.208 33.265 98 HG2 ARG 13 HG2 ARG 13 29.589 15.359 35.103 99 HG3 ARG 13 HG3 ARG 13 30.200 16.942 34.580 100 HD2 ARG 13 HD2 ARG 13 27.358 16.381 35.523 101 HD3 ARG 13 HD3 ARG 13 28.642 17.058 36.535 102 HE ARG 13 HE ARG 13 28.593 18.783 34.398 103 HH11 ARG 13 HH11 ARG 13 26.071 17.798 36.678 104 HH12 ARG 13 HH12 ARG 13 25.147 19.263 36.346 105 HH21 ARG 13 HH21 ARG 13 27.337 20.602 34.111 106 HH22 ARG 13 HH22 ARG 13 25.743 20.661 34.802 107 H SER 14 H SER 14 28.907 13.596 31.003 108 HA SER 14 HA SER 14 30.267 11.421 32.254 109 HB2 SER 14 HB2 SER 14 28.192 11.180 30.946 110 HB3 SER 14 HB3 SER 14 29.051 11.674 29.463 111 HG SER 14 HG SER 14 29.033 9.456 29.461 112 H LEU 15 H LEU 15 31.224 13.541 29.639 113 HA LEU 15 HA LEU 15 33.431 11.840 28.684 114 HB2 LEU 15 HB2 LEU 15 32.822 14.633 27.740 115 HB3 LEU 15 HB3 LEU 15 33.566 13.291 26.876 116 HG LEU 15 HG LEU 15 30.630 13.594 27.601 117 HD11 LEU 15 HD11 LEU 15 32.067 13.732 24.916 118 HD12 LEU 15 HD12 LEU 15 30.315 13.871 25.191 119 HD13 LEU 15 HD13 LEU 15 31.404 15.106 25.826 120 HD21 LEU 15 HD21 LEU 15 31.229 11.187 27.537 121 HD22 LEU 15 HD22 LEU 15 30.274 11.614 26.119 122 HD23 LEU 15 HD23 LEU 15 32.035 11.409 25.975 123 H GLY 16 H GLY 16 32.940 14.765 30.585 124 HA2 GLY 16 HA2 GLY 16 34.419 15.608 32.225 125 HA3 GLY 16 HA3 GLY 16 35.784 14.821 31.442 126 H LEU 17 H LEU 17 33.465 16.693 29.571 127 HA LEU 17 HA LEU 17 35.214 19.087 29.482 128 HB2 LEU 17 HB2 LEU 17 34.733 19.158 26.967 129 HB3 LEU 17 HB3 LEU 17 36.037 18.147 27.554 130 HG LEU 17 HG LEU 17 33.365 16.838 27.124 131 HD11 LEU 17 HD11 LEU 17 35.257 17.540 24.846 132 HD12 LEU 17 HD12 LEU 17 33.768 16.573 24.742 133 HD13 LEU 17 HD13 LEU 17 33.683 18.296 25.150 134 HD21 LEU 17 HD21 LEU 17 36.262 16.083 26.444 135 HD22 LEU 17 HD22 LEU 17 35.387 15.514 27.868 136 HD23 LEU 17 HD23 LEU 17 34.869 15.022 26.241 137 H LEU 18 H LEU 18 34.019 20.877 28.143 138 HA LEU 18 HA LEU 18 31.237 20.994 29.231 139 HB2 LEU 18 HB2 LEU 18 33.250 23.176 28.658 140 HB3 LEU 18 HB3 LEU 18 31.579 23.485 29.115 141 HG LEU 18 HG LEU 18 33.479 21.862 30.842 142 HD11 LEU 18 HD11 LEU 18 34.389 24.133 30.538 143 HD12 LEU 18 HD12 LEU 18 32.813 24.834 30.995 144 HD13 LEU 18 HD13 LEU 18 33.769 23.917 32.183 145 HD21 LEU 18 HD21 LEU 18 31.894 22.447 32.644 146 HD22 LEU 18 HD22 LEU 18 30.867 23.282 31.467 147 HD23 LEU 18 HD23 LEU 18 31.104 21.518 31.373 148 H GLY 19 H GLY 19 29.639 22.021 28.146 149 HA2 GLY 19 HA2 GLY 19 29.548 21.571 25.224 150 HA3 GLY 19 HA3 GLY 19 28.196 21.971 26.273 151 H LYS 20 H LYS 20 29.317 23.169 23.684 152 HA LYS 20 HA LYS 20 28.839 25.997 24.431 153 HB2 LYS 20 HB2 LYS 20 31.191 25.198 22.661 154 HB3 LYS 20 HB3 LYS 20 30.599 26.823 22.950 155 HG2 LYS 20 HG2 LYS 20 32.273 26.882 24.461 156 HG3 LYS 20 HG3 LYS 20 31.043 26.198 25.518 157 HD2 LYS 20 HD2 LYS 20 31.992 23.872 24.712 158 HD3 LYS 20 HD3 LYS 20 33.321 24.833 24.043 159 HE2 LYS 20 HE2 LYS 20 33.523 25.887 26.411 160 HE3 LYS 20 HE3 LYS 20 32.491 24.561 26.960 161 HZ1 LYS 20 HZ1 LYS 20 34.796 23.898 27.225 162 HZ2 LYS 20 HZ2 LYS 20 34.248 23.032 25.955 163 HZ3 LYS 20 HZ3 LYS 20 35.193 24.364 25.732 164 H CYS 21 H CYS 21 28.019 27.281 22.722 165 HA CYS 21 HA CYS 21 26.429 25.697 20.838 166 HB2 CYS 21 HB2 CYS 21 25.588 27.580 22.317 167 HB3 CYS 21 HB3 CYS 21 26.427 28.693 21.234 168 H ILE 22 H ILE 22 27.450 25.013 19.018 169 HA ILE 22 HA ILE 22 29.182 26.870 17.463 170 HB ILE 22 HB ILE 22 28.889 23.870 17.170 171 HG12 ILE 22 HG12 ILE 22 29.805 24.230 19.375 172 HG13 ILE 22 HG13 ILE 22 31.048 23.633 18.299 173 HG21 ILE 22 HG21 ILE 22 30.926 25.861 16.058 174 HG22 ILE 22 HG22 ILE 22 31.066 24.093 15.945 175 HG23 ILE 22 HG23 ILE 22 29.741 24.922 15.134 176 HD11 ILE 22 HD11 ILE 22 30.753 26.538 19.201 177 HD12 ILE 22 HD12 ILE 22 31.926 25.357 19.802 178 HD13 ILE 22 HD13 ILE 22 32.026 25.913 18.124 179 H GLY 23 H GLY 23 27.277 28.080 16.835 180 HA2 GLY 23 HA2 GLY 23 26.191 28.833 14.928 181 HA3 GLY 23 HA3 GLY 23 26.330 27.259 14.175 182 H GLU 24 H GLU 24 24.784 28.638 17.100 183 HA GLU 24 HA GLU 24 22.747 28.351 18.089 184 HB2 GLU 24 HB2 GLU 24 21.509 28.029 15.383 185 HB3 GLU 24 HB3 GLU 24 20.857 28.807 16.815 186 HG2 GLU 24 HG2 GLU 24 23.018 29.827 14.922 187 HG3 GLU 24 HG3 GLU 24 21.393 30.454 15.135 188 H GLU 25 H GLU 25 24.331 25.958 17.625 189 HA GLU 25 HA GLU 25 22.390 23.929 18.464 190 HB2 GLU 25 HB2 GLU 25 22.513 23.625 16.032 191 HB3 GLU 25 HB3 GLU 25 24.276 23.623 16.094 192 HG2 GLU 25 HG2 GLU 25 23.475 21.370 15.784 193 HG3 GLU 25 HG3 GLU 25 24.237 21.496 17.368 194 H CYS 26 H CYS 26 23.371 22.519 19.991 195 HA CYS 26 HA CYS 26 25.982 23.573 20.930 196 HB2 CYS 26 HB2 CYS 26 23.966 23.706 22.388 197 HB3 CYS 26 HB3 CYS 26 24.039 21.949 22.555 198 H GLU 27 H GLU 27 27.742 22.387 21.614 199 HA GLU 27 HA GLU 27 27.849 19.480 21.137 200 HB2 GLU 27 HB2 GLU 27 28.274 20.431 18.957 201 HB3 GLU 27 HB3 GLU 27 29.318 21.679 19.639 202 HG2 GLU 27 HG2 GLU 27 30.618 20.126 18.473 203 HG3 GLU 27 HG3 GLU 27 31.025 20.017 20.172 204 H CYS 28 H CYS 28 29.635 18.512 22.212 205 HA CYS 28 HA CYS 28 30.797 20.099 24.441 206 HB2 CYS 28 HB2 CYS 28 31.295 17.182 23.852 207 HB3 CYS 28 HB3 CYS 28 31.514 18.044 25.355 208 H VAL 29 H VAL 29 32.866 20.868 24.383 209 HA VAL 29 HA VAL 29 34.902 19.450 22.812 210 HB VAL 29 HB VAL 29 35.927 21.441 21.848 211 HG11 VAL 29 HG11 VAL 29 33.063 21.196 20.854 212 HG12 VAL 29 HG12 VAL 29 34.487 21.744 19.944 213 HG13 VAL 29 HG13 VAL 29 34.378 20.061 20.469 214 HG21 VAL 29 HG21 VAL 29 33.402 22.938 22.631 215 HG22 VAL 29 HG22 VAL 29 35.042 23.223 23.283 216 HG23 VAL 29 HG23 VAL 29 34.697 23.550 21.585 217 HA PRO 30 HA PRO 30 36.966 20.360 26.619 218 HB2 PRO 30 HB2 PRO 30 39.597 19.899 26.062 219 HB3 PRO 30 HB3 PRO 30 38.368 18.597 26.087 220 HG2 PRO 30 HG2 PRO 30 39.442 20.090 23.679 221 HG3 PRO 30 HG3 PRO 30 39.264 18.318 23.889 222 HD2 PRO 30 HD2 PRO 30 37.404 19.846 22.580 223 HD3 PRO 30 HD3 PRO 30 36.939 18.422 23.555 224 H TYR 31 H TYR 31 37.616 22.257 23.795 225 HA TYR 31 HA TYR 31 39.612 24.019 24.646 226 HB2 TYR 31 HB2 TYR 31 37.391 24.750 22.736 227 HB3 TYR 31 HB3 TYR 31 39.051 25.308 22.717 228 HD1 TYR 31 HD1 TYR 31 37.206 24.051 20.512 229 HD2 TYR 31 HD2 TYR 31 40.394 22.480 22.960 230 HE1 TYR 31 HE1 TYR 31 37.673 22.315 18.792 231 HE2 TYR 31 HE2 TYR 31 40.845 20.731 21.238 232 HH TYR 31 HH TYR 31 39.746 19.600 19.382 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 15.986 28.461 16.629 2 H2 ALA 1 H2 ALA 1 14.450 27.867 16.572 3 H3 ALA 1 H3 ALA 1 15.708 26.849 16.817 4 HA ALA 1 HA ALA 1 14.758 28.922 18.660 5 HB1 ALA 1 HB1 ALA 1 14.747 25.881 18.940 6 HB2 ALA 1 HB2 ALA 1 14.247 27.038 20.185 7 HB3 ALA 1 HB3 ALA 1 13.321 26.909 18.682 8 H PHE 2 H PHE 2 16.038 29.406 20.437 9 HA PHE 2 HA PHE 2 18.886 28.974 19.995 10 HB2 PHE 2 HB2 PHE 2 17.460 30.427 22.236 11 HB3 PHE 2 HB3 PHE 2 19.184 30.499 21.877 12 HD1 PHE 2 HD1 PHE 2 16.184 32.259 21.433 13 HD2 PHE 2 HD2 PHE 2 19.681 31.031 19.227 14 HE1 PHE 2 HE1 PHE 2 15.782 34.055 19.780 15 HE2 PHE 2 HE2 PHE 2 19.255 32.797 17.562 16 HZ PHE 2 HZ PHE 2 17.301 34.329 17.824 17 H CYS 3 H CYS 3 20.418 28.011 21.358 18 HA CYS 3 HA CYS 3 19.499 25.467 22.348 19 HB2 CYS 3 HB2 CYS 3 21.932 25.028 22.622 20 HB3 CYS 3 HB3 CYS 3 21.444 25.578 21.024 21 H ASN 4 H ASN 4 19.165 24.703 24.358 22 HA ASN 4 HA ASN 4 19.572 26.319 26.769 23 HB2 ASN 4 HB2 ASN 4 18.500 23.553 26.172 24 HB3 ASN 4 HB3 ASN 4 18.987 23.978 27.813 25 HD21 ASN 4 HD21 ASN 4 15.619 25.748 26.354 26 HD22 ASN 4 HD22 ASN 4 16.798 25.154 25.201 27 H LEU 5 H LEU 5 21.846 26.741 26.412 28 HA LEU 5 HA LEU 5 23.853 24.911 26.020 29 HB2 LEU 5 HB2 LEU 5 24.036 27.358 25.847 30 HB3 LEU 5 HB3 LEU 5 23.904 27.508 27.598 31 HG LEU 5 HG LEU 5 26.053 26.298 27.871 32 HD11 LEU 5 HD11 LEU 5 26.186 26.464 24.829 33 HD12 LEU 5 HD12 LEU 5 27.534 26.020 25.895 34 HD13 LEU 5 HD13 LEU 5 26.120 24.968 25.794 35 HD21 LEU 5 HD21 LEU 5 26.184 28.702 26.011 36 HD22 LEU 5 HD22 LEU 5 25.995 28.757 27.778 37 HD23 LEU 5 HD23 LEU 5 27.489 28.126 27.069 38 H ARG 6 H ARG 6 22.374 25.587 29.209 39 HA ARG 6 HA ARG 6 24.376 24.128 30.712 40 HB2 ARG 6 HB2 ARG 6 22.867 25.804 31.713 41 HB3 ARG 6 HB3 ARG 6 21.475 24.787 31.380 42 HG2 ARG 6 HG2 ARG 6 22.283 24.806 33.756 43 HG3 ARG 6 HG3 ARG 6 22.064 23.213 33.043 44 HD2 ARG 6 HD2 ARG 6 24.092 23.457 34.508 45 HD3 ARG 6 HD3 ARG 6 24.390 22.806 32.910 46 HE ARG 6 HE ARG 6 25.524 24.772 32.244 47 HH11 ARG 6 HH11 ARG 6 24.448 25.313 35.579 48 HH12 ARG 6 HH12 ARG 6 25.768 26.446 35.797 49 HH21 ARG 6 HH21 ARG 6 26.987 26.184 32.642 50 HH22 ARG 6 HH22 ARG 6 27.240 26.790 34.293 51 H ARG 7 H ARG 7 21.364 23.122 29.145 52 HA ARG 7 HA ARG 7 21.436 20.355 30.061 53 HB2 ARG 7 HB2 ARG 7 20.071 21.591 27.633 54 HB3 ARG 7 HB3 ARG 7 19.840 19.949 28.223 55 HG2 ARG 7 HG2 ARG 7 18.971 20.796 30.370 56 HG3 ARG 7 HG3 ARG 7 19.167 22.468 29.804 57 HD2 ARG 7 HD2 ARG 7 17.630 21.955 27.898 58 HD3 ARG 7 HD3 ARG 7 17.367 20.342 28.569 59 HE ARG 7 HE ARG 7 16.709 21.982 30.675 60 HH11 ARG 7 HH11 ARG 7 15.496 21.769 27.368 61 HH12 ARG 7 HH12 ARG 7 13.945 22.446 27.842 62 HH21 ARG 7 HH21 ARG 7 14.772 22.908 31.124 63 HH22 ARG 7 HH22 ARG 7 13.681 23.349 29.829 64 H CYS 8 H CYS 8 23.024 22.092 27.436 65 HA CYS 8 HA CYS 8 24.196 19.708 26.245 66 HB2 CYS 8 HB2 CYS 8 25.095 22.609 26.076 67 HB3 CYS 8 HB3 CYS 8 25.593 21.283 25.046 68 H GLU 9 H GLU 9 25.489 22.234 28.495 69 HA GLU 9 HA GLU 9 28.091 21.199 28.811 70 HB2 GLU 9 HB2 GLU 9 26.296 22.799 30.661 71 HB3 GLU 9 HB3 GLU 9 27.966 22.422 31.077 72 HG2 GLU 9 HG2 GLU 9 28.862 23.655 29.260 73 HG3 GLU 9 HG3 GLU 9 27.304 23.829 28.470 74 H LEU 10 H LEU 10 25.162 20.366 30.727 75 HA LEU 10 HA LEU 10 26.585 18.473 32.386 76 HB2 LEU 10 HB2 LEU 10 24.489 17.977 33.360 77 HB3 LEU 10 HB3 LEU 10 24.637 19.703 33.087 78 HG LEU 10 HG LEU 10 23.215 19.202 30.907 79 HD11 LEU 10 HD11 LEU 10 22.386 16.915 32.743 80 HD12 LEU 10 HD12 LEU 10 21.518 17.450 31.292 81 HD13 LEU 10 HD13 LEU 10 23.119 16.734 31.137 82 HD21 LEU 10 HD21 LEU 10 22.489 20.638 32.766 83 HD22 LEU 10 HD22 LEU 10 21.147 19.593 32.265 84 HD23 LEU 10 HD23 LEU 10 22.075 19.216 33.730 85 H SER 11 H SER 11 25.173 18.147 29.205 86 HA SER 11 HA SER 11 25.231 15.206 29.219 87 HB2 SER 11 HB2 SER 11 23.792 16.501 27.658 88 HB3 SER 11 HB3 SER 11 25.250 17.089 26.835 89 HG SER 11 HG SER 11 24.390 15.287 25.801 90 H CYS 12 H CYS 12 27.441 17.810 28.060 91 HA CYS 12 HA CYS 12 29.579 16.083 27.275 92 HB2 CYS 12 HB2 CYS 12 29.675 18.938 28.305 93 HB3 CYS 12 HB3 CYS 12 30.961 18.114 27.429 94 H ARG 13 H ARG 13 28.673 17.299 30.492 95 HA ARG 13 HA ARG 13 31.000 16.712 31.972 96 HB2 ARG 13 HB2 ARG 13 28.761 17.800 32.714 97 HB3 ARG 13 HB3 ARG 13 28.191 16.148 32.970 98 HG2 ARG 13 HG2 ARG 13 30.381 15.894 34.444 99 HG3 ARG 13 HG3 ARG 13 30.432 17.655 34.355 100 HD2 ARG 13 HD2 ARG 13 29.276 17.184 36.336 101 HD3 ARG 13 HD3 ARG 13 28.005 17.626 35.200 102 HE ARG 13 HE ARG 13 27.290 15.331 35.108 103 HH11 ARG 13 HH11 ARG 13 30.050 15.640 37.294 104 HH12 ARG 13 HH12 ARG 13 29.521 14.260 38.223 105 HH21 ARG 13 HH21 ARG 13 26.893 13.458 36.182 106 HH22 ARG 13 HH22 ARG 13 27.962 12.912 37.444 107 H SER 14 H SER 14 28.506 14.448 30.836 108 HA SER 14 HA SER 14 29.492 12.152 32.284 109 HB2 SER 14 HB2 SER 14 27.206 12.314 31.418 110 HB3 SER 14 HB3 SER 14 27.820 12.339 29.753 111 HG SER 14 HG SER 14 28.197 10.245 31.666 112 H LEU 15 H LEU 15 30.650 13.725 29.365 113 HA LEU 15 HA LEU 15 32.387 11.461 28.586 114 HB2 LEU 15 HB2 LEU 15 32.558 14.327 27.626 115 HB3 LEU 15 HB3 LEU 15 33.139 12.873 26.827 116 HG LEU 15 HG LEU 15 30.238 13.727 27.181 117 HD11 LEU 15 HD11 LEU 15 30.308 14.066 24.751 118 HD12 LEU 15 HD12 LEU 15 31.524 15.066 25.566 119 HD13 LEU 15 HD13 LEU 15 32.019 13.587 24.718 120 HD21 LEU 15 HD21 LEU 15 29.705 11.854 25.632 121 HD22 LEU 15 HD22 LEU 15 31.402 11.329 25.684 122 HD23 LEU 15 HD23 LEU 15 30.392 11.253 27.146 123 H GLY 16 H GLY 16 32.511 14.351 30.548 124 HA2 GLY 16 HA2 GLY 16 34.166 14.708 32.255 125 HA3 GLY 16 HA3 GLY 16 35.389 13.932 31.250 126 H LEU 17 H LEU 17 33.217 16.244 29.669 127 HA LEU 17 HA LEU 17 35.194 18.428 29.957 128 HB2 LEU 17 HB2 LEU 17 35.011 18.732 27.418 129 HB3 LEU 17 HB3 LEU 17 36.143 17.578 28.078 130 HG LEU 17 HG LEU 17 33.433 16.601 27.176 131 HD11 LEU 17 HD11 LEU 17 35.811 17.142 25.348 132 HD12 LEU 17 HD12 LEU 17 34.279 16.364 24.892 133 HD13 LEU 17 HD13 LEU 17 34.300 18.067 25.383 134 HD21 LEU 17 HD21 LEU 17 36.274 15.446 27.024 135 HD22 LEU 17 HD22 LEU 17 35.032 14.928 28.163 136 HD23 LEU 17 HD23 LEU 17 34.820 14.629 26.436 137 H LEU 18 H LEU 18 34.469 20.421 28.681 138 HA LEU 18 HA LEU 18 31.740 21.136 29.579 139 HB2 LEU 18 HB2 LEU 18 34.175 22.696 28.662 140 HB3 LEU 18 HB3 LEU 18 32.603 23.439 28.609 141 HG LEU 18 HG LEU 18 33.755 24.117 30.578 142 HD11 LEU 18 HD11 LEU 18 31.502 22.278 31.454 143 HD12 LEU 18 HD12 LEU 18 32.070 23.777 32.210 144 HD13 LEU 18 HD13 LEU 18 31.271 23.847 30.634 145 HD21 LEU 18 HD21 LEU 18 33.736 21.234 31.543 146 HD22 LEU 18 HD22 LEU 18 35.168 22.137 30.994 147 HD23 LEU 18 HD23 LEU 18 34.296 22.658 32.442 148 H GLY 19 H GLY 19 30.444 22.508 28.129 149 HA2 GLY 19 HA2 GLY 19 30.535 21.637 25.272 150 HA3 GLY 19 HA3 GLY 19 29.028 21.747 26.168 151 H LYS 20 H LYS 20 30.350 23.164 23.778 152 HA LYS 20 HA LYS 20 29.553 25.966 24.471 153 HB2 LYS 20 HB2 LYS 20 30.835 26.705 22.670 154 HB3 LYS 20 HB3 LYS 20 31.858 25.736 23.728 155 HG2 LYS 20 HG2 LYS 20 31.789 23.840 22.160 156 HG3 LYS 20 HG3 LYS 20 30.609 24.694 21.123 157 HD2 LYS 20 HD2 LYS 20 32.208 26.553 20.902 158 HD3 LYS 20 HD3 LYS 20 33.395 25.616 21.843 159 HE2 LYS 20 HE2 LYS 20 33.479 23.902 20.093 160 HE3 LYS 20 HE3 LYS 20 32.146 24.673 19.222 161 HZ1 LYS 20 HZ1 LYS 20 34.794 25.950 19.665 162 HZ2 LYS 20 HZ2 LYS 20 34.304 25.249 18.246 163 HZ3 LYS 20 HZ3 LYS 20 33.550 26.589 18.829 164 H CYS 21 H CYS 21 28.488 27.050 22.528 165 HA CYS 21 HA CYS 21 26.996 25.185 20.749 166 HB2 CYS 21 HB2 CYS 21 25.520 25.683 22.612 167 HB3 CYS 21 HB3 CYS 21 25.822 27.405 22.433 168 H ILE 22 H ILE 22 26.627 25.886 18.691 169 HA ILE 22 HA ILE 22 27.010 28.657 17.890 170 HB ILE 22 HB ILE 22 29.321 27.931 17.938 171 HG12 ILE 22 HG12 ILE 22 28.435 28.062 15.030 172 HG13 ILE 22 HG13 ILE 22 28.414 29.451 16.127 173 HG21 ILE 22 HG21 ILE 22 30.235 26.116 16.599 174 HG22 ILE 22 HG22 ILE 22 28.991 25.465 17.656 175 HG23 ILE 22 HG23 ILE 22 28.632 25.741 15.942 176 HD11 ILE 22 HD11 ILE 22 30.883 27.865 15.321 177 HD12 ILE 22 HD12 ILE 22 30.438 29.498 14.809 178 HD13 ILE 22 HD13 ILE 22 30.853 29.194 16.508 179 H GLY 23 H GLY 23 25.850 29.129 16.029 180 HA2 GLY 23 HA2 GLY 23 24.254 28.822 14.388 181 HA3 GLY 23 HA3 GLY 23 25.008 27.259 14.048 182 H GLU 24 H GLU 24 23.465 28.262 17.106 183 HA GLU 24 HA GLU 24 21.952 27.356 18.434 184 HB2 GLU 24 HB2 GLU 24 20.466 26.575 15.910 185 HB3 GLU 24 HB3 GLU 24 19.808 26.555 17.548 186 HG2 GLU 24 HG2 GLU 24 20.202 28.975 17.772 187 HG3 GLU 24 HG3 GLU 24 20.830 29.035 16.127 188 H GLU 25 H GLU 25 24.126 25.402 17.122 189 HA GLU 25 HA GLU 25 23.006 22.927 18.379 190 HB2 GLU 25 HB2 GLU 25 24.728 23.307 15.929 191 HB3 GLU 25 HB3 GLU 25 24.676 21.782 16.805 192 HG2 GLU 25 HG2 GLU 25 22.221 23.161 15.637 193 HG3 GLU 25 HG3 GLU 25 23.151 21.902 14.820 194 H CYS 26 H CYS 26 24.091 21.910 19.926 195 HA CYS 26 HA CYS 26 26.408 23.223 21.082 196 HB2 CYS 26 HB2 CYS 26 24.545 21.002 21.919 197 HB3 CYS 26 HB3 CYS 26 25.976 21.430 22.833 198 H GLU 27 H GLU 27 28.419 22.385 21.494 199 HA GLU 27 HA GLU 27 29.139 19.658 20.546 200 HB2 GLU 27 HB2 GLU 27 30.657 22.202 19.836 201 HB3 GLU 27 HB3 GLU 27 31.211 20.552 19.527 202 HG2 GLU 27 HG2 GLU 27 29.333 20.166 17.997 203 HG3 GLU 27 HG3 GLU 27 28.674 21.766 18.349 204 H CYS 28 H CYS 28 30.732 18.659 21.817 205 HA CYS 28 HA CYS 28 31.501 20.060 24.328 206 HB2 CYS 28 HB2 CYS 28 32.056 17.183 23.650 207 HB3 CYS 28 HB3 CYS 28 32.095 17.976 25.215 208 H VAL 29 H VAL 29 33.567 20.602 24.854 209 HA VAL 29 HA VAL 29 35.760 19.923 22.971 210 HB VAL 29 HB VAL 29 36.555 22.272 22.999 211 HG11 VAL 29 HG11 VAL 29 33.831 21.961 21.690 212 HG12 VAL 29 HG12 VAL 29 35.155 23.047 21.204 213 HG13 VAL 29 HG13 VAL 29 35.350 21.295 21.056 214 HG21 VAL 29 HG21 VAL 29 34.995 24.112 23.443 215 HG22 VAL 29 HG22 VAL 29 33.765 22.969 24.009 216 HG23 VAL 29 HG23 VAL 29 35.279 23.172 24.914 217 HA PRO 30 HA PRO 30 37.941 19.307 26.729 218 HB2 PRO 30 HB2 PRO 30 40.557 19.339 25.942 219 HB3 PRO 30 HB3 PRO 30 39.405 18.073 25.430 220 HG2 PRO 30 HG2 PRO 30 40.213 20.576 23.906 221 HG3 PRO 30 HG3 PRO 30 40.190 18.883 23.316 222 HD2 PRO 30 HD2 PRO 30 38.123 20.569 22.840 223 HD3 PRO 30 HD3 PRO 30 37.836 18.843 23.207 224 H TYR 31 H TYR 31 38.063 22.364 25.242 225 HA TYR 31 HA TYR 31 40.110 23.687 26.691 226 HB2 TYR 31 HB2 TYR 31 37.668 25.040 25.541 227 HB3 TYR 31 HB3 TYR 31 39.303 25.679 25.696 228 HD1 TYR 31 HD1 TYR 31 37.179 25.222 23.276 229 HD2 TYR 31 HD2 TYR 31 40.950 23.495 24.453 230 HE1 TYR 31 HE1 TYR 31 37.558 24.460 20.941 231 HE2 TYR 31 HE2 TYR 31 41.325 22.739 22.102 232 HH TYR 31 HH TYR 31 38.786 22.962 19.667 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 13.151 29.392 20.332 2 H2 ALA 1 H2 ALA 1 11.943 28.564 21.100 3 H3 ALA 1 H3 ALA 1 13.210 27.763 20.407 4 HA ALA 1 HA ALA 1 13.465 29.681 22.612 5 HB1 ALA 1 HB1 ALA 1 13.435 26.638 22.784 6 HB2 ALA 1 HB2 ALA 1 13.841 27.746 24.114 7 HB3 ALA 1 HB3 ALA 1 12.205 27.750 23.436 8 H PHE 2 H PHE 2 15.586 29.982 23.377 9 HA PHE 2 HA PHE 2 17.726 29.571 21.544 10 HB2 PHE 2 HB2 PHE 2 17.957 30.053 24.529 11 HB3 PHE 2 HB3 PHE 2 19.181 30.378 23.309 12 HD1 PHE 2 HD1 PHE 2 17.742 31.753 21.162 13 HD2 PHE 2 HD2 PHE 2 17.304 32.117 25.444 14 HE1 PHE 2 HE1 PHE 2 16.703 33.953 20.862 15 HE2 PHE 2 HE2 PHE 2 16.273 34.362 25.137 16 HZ PHE 2 HZ PHE 2 15.931 35.269 22.846 17 H CYS 3 H CYS 3 19.178 27.914 21.255 18 HA CYS 3 HA CYS 3 18.948 25.345 22.433 19 HB2 CYS 3 HB2 CYS 3 20.127 25.885 20.324 20 HB3 CYS 3 HB3 CYS 3 21.359 26.746 21.247 21 H ASN 4 H ASN 4 19.375 24.645 24.462 22 HA ASN 4 HA ASN 4 20.237 26.619 26.378 23 HB2 ASN 4 HB2 ASN 4 18.312 25.038 26.666 24 HB3 ASN 4 HB3 ASN 4 19.464 23.710 26.839 25 HD21 ASN 4 HD21 ASN 4 19.274 26.603 29.773 26 HD22 ASN 4 HD22 ASN 4 18.662 26.958 28.147 27 H LEU 5 H LEU 5 22.120 26.988 27.305 28 HA LEU 5 HA LEU 5 24.448 25.450 26.579 29 HB2 LEU 5 HB2 LEU 5 24.438 27.891 26.736 30 HB3 LEU 5 HB3 LEU 5 24.038 27.803 28.450 31 HG LEU 5 HG LEU 5 26.222 26.769 28.947 32 HD11 LEU 5 HD11 LEU 5 26.710 25.649 26.823 33 HD12 LEU 5 HD12 LEU 5 26.756 27.221 25.978 34 HD13 LEU 5 HD13 LEU 5 27.989 26.807 27.191 35 HD21 LEU 5 HD21 LEU 5 26.364 29.343 27.322 36 HD22 LEU 5 HD22 LEU 5 25.932 29.217 29.041 37 HD23 LEU 5 HD23 LEU 5 27.567 28.795 28.509 38 H ARG 6 H ARG 6 22.617 25.787 29.674 39 HA ARG 6 HA ARG 6 24.386 24.198 31.256 40 HB2 ARG 6 HB2 ARG 6 22.384 25.630 32.059 41 HB3 ARG 6 HB3 ARG 6 21.366 24.256 31.625 42 HG2 ARG 6 HG2 ARG 6 23.173 22.920 33.113 43 HG3 ARG 6 HG3 ARG 6 23.458 24.517 33.792 44 HD2 ARG 6 HD2 ARG 6 20.798 23.023 33.705 45 HD3 ARG 6 HD3 ARG 6 21.858 23.193 35.113 46 HE ARG 6 HE ARG 6 21.141 25.794 34.088 47 HH11 ARG 6 HH11 ARG 6 19.721 23.186 36.001 48 HH12 ARG 6 HH12 ARG 6 18.639 24.282 36.815 49 HH21 ARG 6 HH21 ARG 6 19.766 27.052 35.051 50 HH22 ARG 6 HH22 ARG 6 18.557 26.420 36.168 51 H ARG 7 H ARG 7 21.432 23.184 29.476 52 HA ARG 7 HA ARG 7 21.631 20.403 29.962 53 HB2 ARG 7 HB2 ARG 7 19.723 21.722 28.977 54 HB3 ARG 7 HB3 ARG 7 20.597 21.755 27.436 55 HG2 ARG 7 HG2 ARG 7 20.533 19.275 27.356 56 HG3 ARG 7 HG3 ARG 7 19.675 19.242 28.908 57 HD2 ARG 7 HD2 ARG 7 18.704 20.513 26.327 58 HD3 ARG 7 HD3 ARG 7 18.139 18.971 26.985 59 HE ARG 7 HE ARG 7 17.444 20.410 29.046 60 HH11 ARG 7 HH11 ARG 7 16.999 21.486 25.686 61 HH12 ARG 7 HH12 ARG 7 15.883 22.737 26.225 62 HH21 ARG 7 HH21 ARG 7 16.013 22.145 29.513 63 HH22 ARG 7 HH22 ARG 7 15.360 23.026 28.144 64 H CYS 8 H CYS 8 23.300 22.356 27.509 65 HA CYS 8 HA CYS 8 24.538 20.116 26.169 66 HB2 CYS 8 HB2 CYS 8 24.218 22.207 25.036 67 HB3 CYS 8 HB3 CYS 8 25.151 23.083 26.240 68 H GLU 9 H GLU 9 25.899 22.438 28.660 69 HA GLU 9 HA GLU 9 28.386 21.015 28.690 70 HB2 GLU 9 HB2 GLU 9 29.109 22.484 30.331 71 HB3 GLU 9 HB3 GLU 9 28.014 23.401 29.293 72 HG2 GLU 9 HG2 GLU 9 26.216 22.949 31.071 73 HG3 GLU 9 HG3 GLU 9 27.517 22.377 32.118 74 H LEU 10 H LEU 10 25.455 20.513 30.616 75 HA LEU 10 HA LEU 10 26.596 18.480 32.362 76 HB2 LEU 10 HB2 LEU 10 23.735 18.947 31.419 77 HB3 LEU 10 HB3 LEU 10 24.198 17.826 32.699 78 HG LEU 10 HG LEU 10 24.691 20.810 32.757 79 HD11 LEU 10 HD11 LEU 10 22.274 20.284 32.842 80 HD12 LEU 10 HD12 LEU 10 22.567 19.145 34.174 81 HD13 LEU 10 HD13 LEU 10 22.842 20.880 34.413 82 HD21 LEU 10 HD21 LEU 10 25.079 20.450 35.191 83 HD22 LEU 10 HD22 LEU 10 24.971 18.696 34.930 84 HD23 LEU 10 HD23 LEU 10 26.279 19.652 34.181 85 H SER 11 H SER 11 25.047 18.399 29.177 86 HA SER 11 HA SER 11 25.181 15.522 28.844 87 HB2 SER 11 HB2 SER 11 23.833 16.777 27.309 88 HB3 SER 11 HB3 SER 11 25.227 17.707 26.735 89 HG SER 11 HG SER 11 25.931 16.059 25.604 90 H CYS 12 H CYS 12 27.546 18.086 27.884 91 HA CYS 12 HA CYS 12 29.597 16.269 27.110 92 HB2 CYS 12 HB2 CYS 12 29.794 19.103 28.171 93 HB3 CYS 12 HB3 CYS 12 31.088 18.230 27.346 94 H ARG 13 H ARG 13 28.710 17.378 30.383 95 HA ARG 13 HA ARG 13 31.004 16.449 31.783 96 HB2 ARG 13 HB2 ARG 13 28.981 17.791 32.675 97 HB3 ARG 13 HB3 ARG 13 28.163 16.233 32.839 98 HG2 ARG 13 HG2 ARG 13 30.038 15.444 34.302 99 HG3 ARG 13 HG3 ARG 13 30.768 17.048 34.194 100 HD2 ARG 13 HD2 ARG 13 27.974 16.480 35.255 101 HD3 ARG 13 HD3 ARG 13 29.420 16.590 36.271 102 HE ARG 13 HE ARG 13 29.381 19.010 34.869 103 HH11 ARG 13 HH11 ARG 13 27.262 17.415 37.172 104 HH12 ARG 13 HH12 ARG 13 26.622 18.941 37.747 105 HH21 ARG 13 HH21 ARG 13 28.636 20.845 35.669 106 HH22 ARG 13 HH22 ARG 13 27.583 20.862 37.067 107 H SER 14 H SER 14 28.307 14.565 30.411 108 HA SER 14 HA SER 14 29.004 12.069 31.667 109 HB2 SER 14 HB2 SER 14 27.651 10.985 30.078 110 HB3 SER 14 HB3 SER 14 26.851 12.526 30.424 111 HG SER 14 HG SER 14 27.597 13.325 28.453 112 H LEU 15 H LEU 15 30.375 13.773 28.896 113 HA LEU 15 HA LEU 15 32.183 11.562 28.171 114 HB2 LEU 15 HB2 LEU 15 32.358 14.400 27.154 115 HB3 LEU 15 HB3 LEU 15 32.842 12.906 26.356 116 HG LEU 15 HG LEU 15 30.011 13.929 26.810 117 HD11 LEU 15 HD11 LEU 15 31.375 15.067 25.061 118 HD12 LEU 15 HD12 LEU 15 31.578 13.504 24.250 119 HD13 LEU 15 HD13 LEU 15 29.961 14.219 24.404 120 HD21 LEU 15 HD21 LEU 15 29.976 11.445 26.851 121 HD22 LEU 15 HD22 LEU 15 29.256 12.076 25.363 122 HD23 LEU 15 HD23 LEU 15 30.910 11.407 25.337 123 H GLY 16 H GLY 16 32.190 14.403 30.155 124 HA2 GLY 16 HA2 GLY 16 33.709 14.442 32.067 125 HA3 GLY 16 HA3 GLY 16 35.027 13.979 30.992 126 H LEU 17 H LEU 17 33.187 16.210 29.283 127 HA LEU 17 HA LEU 17 35.070 18.407 30.027 128 HB2 LEU 17 HB2 LEU 17 35.028 18.920 27.524 129 HB3 LEU 17 HB3 LEU 17 36.085 17.679 28.151 130 HG LEU 17 HG LEU 17 33.428 16.923 26.908 131 HD11 LEU 17 HD11 LEU 17 36.066 17.428 25.440 132 HD12 LEU 17 HD12 LEU 17 34.574 16.782 24.726 133 HD13 LEU 17 HD13 LEU 17 34.629 18.449 25.329 134 HD21 LEU 17 HD21 LEU 17 36.176 15.559 26.955 135 HD22 LEU 17 HD22 LEU 17 34.814 15.102 27.977 136 HD23 LEU 17 HD23 LEU 17 34.701 14.901 26.226 137 H LEU 18 H LEU 18 34.475 20.490 28.796 138 HA LEU 18 HA LEU 18 31.733 21.321 29.580 139 HB2 LEU 18 HB2 LEU 18 34.300 22.749 28.785 140 HB3 LEU 18 HB3 LEU 18 32.779 23.595 28.801 141 HG LEU 18 HG LEU 18 34.116 23.993 30.808 142 HD11 LEU 18 HD11 LEU 18 31.658 24.231 30.842 143 HD12 LEU 18 HD12 LEU 18 31.506 22.563 31.446 144 HD13 LEU 18 HD13 LEU 18 32.335 23.801 32.412 145 HD21 LEU 18 HD21 LEU 18 35.085 21.699 31.109 146 HD22 LEU 18 HD22 LEU 18 34.379 22.411 32.577 147 HD23 LEU 18 HD23 LEU 18 33.493 21.154 31.692 148 H GLY 19 H GLY 19 30.728 22.952 27.909 149 HA2 GLY 19 HA2 GLY 19 31.306 22.589 25.134 150 HA3 GLY 19 HA3 GLY 19 29.943 21.566 25.574 151 H LYS 20 H LYS 20 29.725 23.437 23.693 152 HA LYS 20 HA LYS 20 27.740 25.358 24.745 153 HB2 LYS 20 HB2 LYS 20 28.692 27.158 23.247 154 HB3 LYS 20 HB3 LYS 20 29.569 26.793 24.715 155 HG2 LYS 20 HG2 LYS 20 31.101 27.231 22.923 156 HG3 LYS 20 HG3 LYS 20 31.296 25.573 23.481 157 HD2 LYS 20 HD2 LYS 20 30.055 24.739 21.524 158 HD3 LYS 20 HD3 LYS 20 29.756 26.391 20.970 159 HE2 LYS 20 HE2 LYS 20 32.456 24.984 21.232 160 HE3 LYS 20 HE3 LYS 20 31.560 25.267 19.732 161 HZ1 LYS 20 HZ1 LYS 20 33.129 26.992 19.847 162 HZ2 LYS 20 HZ2 LYS 20 31.741 27.721 20.345 163 HZ3 LYS 20 HZ3 LYS 20 32.876 27.285 21.443 164 H CYS 21 H CYS 21 26.428 26.357 22.827 165 HA CYS 21 HA CYS 21 25.748 24.034 21.115 166 HB2 CYS 21 HB2 CYS 21 24.051 25.357 22.417 167 HB3 CYS 21 HB3 CYS 21 24.308 26.684 21.274 168 H ILE 22 H ILE 22 25.819 23.987 18.902 169 HA ILE 22 HA ILE 22 26.753 26.399 17.411 170 HB ILE 22 HB ILE 22 27.533 23.504 16.943 171 HG12 ILE 22 HG12 ILE 22 28.923 24.627 18.646 172 HG13 ILE 22 HG13 ILE 22 29.822 24.176 17.210 173 HG21 ILE 22 HG21 ILE 22 27.972 25.921 15.144 174 HG22 ILE 22 HG22 ILE 22 28.823 24.372 14.969 175 HG23 ILE 22 HG23 ILE 22 27.073 24.436 14.770 176 HD11 ILE 22 HD11 ILE 22 28.876 27.004 17.856 177 HD12 ILE 22 HD12 ILE 22 30.515 26.374 18.066 178 HD13 ILE 22 HD13 ILE 22 29.842 26.526 16.440 179 H GLY 23 H GLY 23 25.190 27.150 16.195 180 HA2 GLY 23 HA2 GLY 23 23.250 27.271 14.959 181 HA3 GLY 23 HA3 GLY 23 23.412 25.553 14.582 182 H GLU 24 H GLU 24 22.551 24.021 16.077 183 HA GLU 24 HA GLU 24 20.860 24.892 18.286 184 HB2 GLU 24 HB2 GLU 24 18.765 24.005 17.537 185 HB3 GLU 24 HB3 GLU 24 19.329 25.248 16.427 186 HG2 GLU 24 HG2 GLU 24 20.112 23.460 14.853 187 HG3 GLU 24 HG3 GLU 24 19.461 22.243 15.952 188 H GLU 25 H GLU 25 23.204 23.032 17.608 189 HA GLU 25 HA GLU 25 22.300 20.732 19.253 190 HB2 GLU 25 HB2 GLU 25 24.015 20.668 16.743 191 HB3 GLU 25 HB3 GLU 25 23.979 19.339 17.891 192 HG2 GLU 25 HG2 GLU 25 21.411 20.305 16.590 193 HG3 GLU 25 HG3 GLU 25 22.524 19.231 15.743 194 H CYS 26 H CYS 26 23.821 19.925 20.702 195 HA CYS 26 HA CYS 26 25.712 21.852 21.708 196 HB2 CYS 26 HB2 CYS 26 24.326 20.506 23.148 197 HB3 CYS 26 HB3 CYS 26 24.986 19.018 22.473 198 H GLU 27 H GLU 27 27.897 21.879 21.768 199 HA GLU 27 HA GLU 27 29.557 19.831 20.365 200 HB2 GLU 27 HB2 GLU 27 29.147 21.717 18.855 201 HB3 GLU 27 HB3 GLU 27 29.496 22.851 20.137 202 HG2 GLU 27 HG2 GLU 27 31.351 22.996 18.820 203 HG3 GLU 27 HG3 GLU 27 31.904 22.010 20.162 204 H CYS 28 H CYS 28 30.849 18.950 21.892 205 HA CYS 28 HA CYS 28 31.532 20.385 24.380 206 HB2 CYS 28 HB2 CYS 28 32.392 17.641 23.476 207 HB3 CYS 28 HB3 CYS 28 32.399 18.321 25.112 208 H VAL 29 H VAL 29 33.612 20.925 25.072 209 HA VAL 29 HA VAL 29 35.676 21.190 22.921 210 HB VAL 29 HB VAL 29 36.164 23.441 23.676 211 HG11 VAL 29 HG11 VAL 29 34.296 24.585 22.660 212 HG12 VAL 29 HG12 VAL 29 34.627 23.081 21.778 213 HG13 VAL 29 HG13 VAL 29 33.244 23.172 22.897 214 HG21 VAL 29 HG21 VAL 29 33.685 23.252 25.425 215 HG22 VAL 29 HG22 VAL 29 35.356 23.423 26.000 216 HG23 VAL 29 HG23 VAL 29 34.601 24.728 25.081 217 HA PRO 30 HA PRO 30 38.357 19.484 25.935 218 HB2 PRO 30 HB2 PRO 30 40.831 20.063 24.968 219 HB3 PRO 30 HB3 PRO 30 39.678 19.009 24.093 220 HG2 PRO 30 HG2 PRO 30 40.165 21.987 23.658 221 HG3 PRO 30 HG3 PRO 30 40.181 20.673 22.438 222 HD2 PRO 30 HD2 PRO 30 37.960 22.171 22.868 223 HD3 PRO 30 HD3 PRO 30 37.835 20.417 22.524 224 H TYR 31 H TYR 31 38.307 22.900 25.564 225 HA TYR 31 HA TYR 31 40.351 23.794 27.263 226 HB2 TYR 31 HB2 TYR 31 37.725 25.191 26.723 227 HB3 TYR 31 HB3 TYR 31 39.259 25.928 27.133 228 HD1 TYR 31 HD1 TYR 31 37.084 25.485 24.486 229 HD2 TYR 31 HD2 TYR 31 41.275 25.034 25.424 230 HE1 TYR 31 HE1 TYR 31 37.635 25.469 22.040 231 HE2 TYR 31 HE2 TYR 31 41.819 25.012 22.989 232 HH TYR 31 HH TYR 31 40.718 24.474 20.862 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 13.799 25.239 17.825 2 H2 ALA 1 H2 ALA 1 13.412 26.817 17.512 3 H3 ALA 1 H3 ALA 1 12.249 25.751 18.024 4 HA ALA 1 HA ALA 1 12.840 27.155 19.818 5 HB1 ALA 1 HB1 ALA 1 13.566 25.381 21.450 6 HB2 ALA 1 HB2 ALA 1 12.220 24.879 20.412 7 HB3 ALA 1 HB3 ALA 1 13.866 24.296 20.092 8 H PHE 2 H PHE 2 14.504 27.597 21.520 9 HA PHE 2 HA PHE 2 16.975 28.508 20.202 10 HB2 PHE 2 HB2 PHE 2 15.779 29.107 22.922 11 HB3 PHE 2 HB3 PHE 2 17.223 29.861 22.265 12 HD1 PHE 2 HD1 PHE 2 16.770 30.681 19.621 13 HD2 PHE 2 HD2 PHE 2 13.914 30.562 22.849 14 HE1 PHE 2 HE1 PHE 2 15.405 32.377 18.468 15 HE2 PHE 2 HE2 PHE 2 12.578 32.319 21.717 16 HZ PHE 2 HZ PHE 2 13.302 33.220 19.512 17 H CYS 3 H CYS 3 19.088 28.304 21.060 18 HA CYS 3 HA CYS 3 19.755 25.637 21.921 19 HB2 CYS 3 HB2 CYS 3 21.007 27.075 20.304 20 HB3 CYS 3 HB3 CYS 3 21.500 28.108 21.636 21 H ASN 4 H ASN 4 19.348 25.010 24.040 22 HA ASN 4 HA ASN 4 20.196 26.740 26.288 23 HB2 ASN 4 HB2 ASN 4 18.052 25.314 26.263 24 HB3 ASN 4 HB3 ASN 4 19.091 23.929 26.535 25 HD21 ASN 4 HD21 ASN 4 18.317 26.629 29.512 26 HD22 ASN 4 HD22 ASN 4 17.750 26.860 27.857 27 H LEU 5 H LEU 5 22.338 26.865 26.148 28 HA LEU 5 HA LEU 5 24.250 24.775 25.660 29 HB2 LEU 5 HB2 LEU 5 24.441 27.287 25.410 30 HB3 LEU 5 HB3 LEU 5 24.507 27.429 27.162 31 HG LEU 5 HG LEU 5 26.527 25.911 25.470 32 HD11 LEU 5 HD11 LEU 5 26.645 28.723 26.647 33 HD12 LEU 5 HD12 LEU 5 27.961 27.915 25.777 34 HD13 LEU 5 HD13 LEU 5 26.465 28.331 24.926 35 HD21 LEU 5 HD21 LEU 5 28.002 26.397 27.532 36 HD22 LEU 5 HD22 LEU 5 26.495 26.751 28.393 37 HD23 LEU 5 HD23 LEU 5 26.802 25.131 27.720 38 H ARG 6 H ARG 6 22.777 26.123 28.636 39 HA ARG 6 HA ARG 6 24.404 24.754 30.519 40 HB2 ARG 6 HB2 ARG 6 22.921 26.694 30.979 41 HB3 ARG 6 HB3 ARG 6 21.507 25.651 30.833 42 HG2 ARG 6 HG2 ARG 6 22.271 24.324 32.786 43 HG3 ARG 6 HG3 ARG 6 23.777 25.243 32.834 44 HD2 ARG 6 HD2 ARG 6 22.351 26.075 34.570 45 HD3 ARG 6 HD3 ARG 6 22.483 27.322 33.324 46 HE ARG 6 HE ARG 6 20.190 25.952 32.608 47 HH11 ARG 6 HH11 ARG 6 21.083 27.384 35.740 48 HH12 ARG 6 HH12 ARG 6 19.407 27.622 36.133 49 HH21 ARG 6 HH21 ARG 6 18.185 26.635 33.100 50 HH22 ARG 6 HH22 ARG 6 17.915 27.584 34.538 51 H ARG 7 H ARG 7 21.332 23.553 29.019 52 HA ARG 7 HA ARG 7 21.492 20.975 30.364 53 HB2 ARG 7 HB2 ARG 7 20.071 21.971 27.863 54 HB3 ARG 7 HB3 ARG 7 20.065 20.264 28.314 55 HG2 ARG 7 HG2 ARG 7 19.113 20.824 30.547 56 HG3 ARG 7 HG3 ARG 7 19.071 22.524 30.088 57 HD2 ARG 7 HD2 ARG 7 16.865 21.556 29.794 58 HD3 ARG 7 HD3 ARG 7 17.540 22.002 28.216 59 HE ARG 7 HE ARG 7 18.053 19.214 29.013 60 HH11 ARG 7 HH11 ARG 7 15.657 21.217 27.343 61 HH12 ARG 7 HH12 ARG 7 15.093 19.796 26.464 62 HH21 ARG 7 HH21 ARG 7 17.269 17.600 27.833 63 HH22 ARG 7 HH22 ARG 7 15.907 17.897 26.749 64 H CYS 8 H CYS 8 23.195 22.196 27.546 65 HA CYS 8 HA CYS 8 23.928 19.552 26.567 66 HB2 CYS 8 HB2 CYS 8 24.964 22.332 25.917 67 HB3 CYS 8 HB3 CYS 8 25.410 20.853 25.070 68 H GLU 9 H GLU 9 25.614 22.013 28.623 69 HA GLU 9 HA GLU 9 28.082 20.529 28.623 70 HB2 GLU 9 HB2 GLU 9 28.833 21.982 30.339 71 HB3 GLU 9 HB3 GLU 9 27.923 22.910 29.146 72 HG2 GLU 9 HG2 GLU 9 26.036 23.121 30.603 73 HG3 GLU 9 HG3 GLU 9 26.728 21.992 31.782 74 H LEU 10 H LEU 10 25.175 20.044 30.534 75 HA LEU 10 HA LEU 10 26.291 18.170 32.441 76 HB2 LEU 10 HB2 LEU 10 23.489 18.238 31.258 77 HB3 LEU 10 HB3 LEU 10 23.971 17.430 32.748 78 HG LEU 10 HG LEU 10 24.054 20.420 32.262 79 HD11 LEU 10 HD11 LEU 10 22.107 20.537 33.755 80 HD12 LEU 10 HD12 LEU 10 21.751 19.535 32.341 81 HD13 LEU 10 HD13 LEU 10 22.098 18.764 33.902 82 HD21 LEU 10 HD21 LEU 10 24.461 18.819 34.824 83 HD22 LEU 10 HD22 LEU 10 25.707 19.755 33.965 84 HD23 LEU 10 HD23 LEU 10 24.346 20.589 34.729 85 H SER 11 H SER 11 25.215 17.827 29.115 86 HA SER 11 HA SER 11 25.409 14.911 29.014 87 HB2 SER 11 HB2 SER 11 24.071 16.227 27.400 88 HB3 SER 11 HB3 SER 11 25.555 16.936 26.761 89 HG SER 11 HG SER 11 25.040 15.268 25.484 90 H CYS 12 H CYS 12 27.623 17.601 28.125 91 HA CYS 12 HA CYS 12 29.813 15.933 27.353 92 HB2 CYS 12 HB2 CYS 12 29.886 18.761 28.408 93 HB3 CYS 12 HB3 CYS 12 31.125 17.978 27.455 94 H ARG 13 H ARG 13 28.846 17.115 30.564 95 HA ARG 13 HA ARG 13 31.112 16.603 32.101 96 HB2 ARG 13 HB2 ARG 13 28.944 17.668 32.786 97 HB3 ARG 13 HB3 ARG 13 28.220 16.056 32.863 98 HG2 ARG 13 HG2 ARG 13 29.795 15.433 34.686 99 HG3 ARG 13 HG3 ARG 13 30.577 17.009 34.531 100 HD2 ARG 13 HD2 ARG 13 29.080 17.120 36.401 101 HD3 ARG 13 HD3 ARG 13 28.419 18.128 35.111 102 HE ARG 13 HE ARG 13 27.311 15.452 34.998 103 HH11 ARG 13 HH11 ARG 13 27.081 18.389 36.939 104 HH12 ARG 13 HH12 ARG 13 25.540 17.948 37.603 105 HH21 ARG 13 HH21 ARG 13 25.249 14.983 35.835 106 HH22 ARG 13 HH22 ARG 13 24.519 16.090 36.969 107 H SER 14 H SER 14 28.692 14.184 31.069 108 HA SER 14 HA SER 14 29.959 11.956 32.366 109 HB2 SER 14 HB2 SER 14 28.049 12.058 30.007 110 HB3 SER 14 HB3 SER 14 28.529 10.577 30.877 111 HG SER 14 HG SER 14 26.548 11.632 31.623 112 H LEU 15 H LEU 15 30.857 13.625 29.447 113 HA LEU 15 HA LEU 15 32.600 11.425 28.485 114 HB2 LEU 15 HB2 LEU 15 32.653 14.327 27.611 115 HB3 LEU 15 HB3 LEU 15 33.293 12.929 26.766 116 HG LEU 15 HG LEU 15 30.358 13.591 27.191 117 HD11 LEU 15 HD11 LEU 15 30.337 14.068 24.807 118 HD12 LEU 15 HD12 LEU 15 31.556 15.072 25.606 119 HD13 LEU 15 HD13 LEU 15 32.064 13.651 24.669 120 HD21 LEU 15 HD21 LEU 15 31.678 11.340 25.583 121 HD22 LEU 15 HD22 LEU 15 30.680 11.135 27.041 122 HD23 LEU 15 HD23 LEU 15 29.949 11.744 25.554 123 H GLY 16 H GLY 16 32.738 14.403 30.347 124 HA2 GLY 16 HA2 GLY 16 34.373 14.663 32.128 125 HA3 GLY 16 HA3 GLY 16 35.607 13.953 31.082 126 H LEU 17 H LEU 17 33.506 16.173 29.434 127 HA LEU 17 HA LEU 17 35.419 18.431 29.775 128 HB2 LEU 17 HB2 LEU 17 35.070 18.786 27.249 129 HB3 LEU 17 HB3 LEU 17 36.301 17.678 27.818 130 HG LEU 17 HG LEU 17 33.576 16.651 26.985 131 HD11 LEU 17 HD11 LEU 17 34.416 18.135 25.176 132 HD12 LEU 17 HD12 LEU 17 35.931 17.220 25.130 133 HD13 LEU 17 HD13 LEU 17 34.402 16.434 24.686 134 HD21 LEU 17 HD21 LEU 17 36.413 15.490 26.764 135 HD22 LEU 17 HD22 LEU 17 35.207 14.982 27.951 136 HD23 LEU 17 HD23 LEU 17 34.930 14.685 26.233 137 H LEU 18 H LEU 18 34.541 20.449 28.582 138 HA LEU 18 HA LEU 18 31.852 20.964 29.698 139 HB2 LEU 18 HB2 LEU 18 34.109 22.703 28.675 140 HB3 LEU 18 HB3 LEU 18 32.495 23.373 28.861 141 HG LEU 18 HG LEU 18 33.951 21.996 31.152 142 HD11 LEU 18 HD11 LEU 18 34.456 24.273 31.965 143 HD12 LEU 18 HD12 LEU 18 35.235 23.958 30.402 144 HD13 LEU 18 HD13 LEU 18 33.769 24.959 30.477 145 HD21 LEU 18 HD21 LEU 18 31.504 22.158 31.481 146 HD22 LEU 18 HD22 LEU 18 32.322 23.314 32.523 147 HD23 LEU 18 HD23 LEU 18 31.538 23.882 31.039 148 H GLY 19 H GLY 19 30.293 22.151 28.510 149 HA2 GLY 19 HA2 GLY 19 30.166 21.509 25.592 150 HA3 GLY 19 HA3 GLY 19 28.754 21.571 26.634 151 H LYS 20 H LYS 20 29.382 23.043 24.206 152 HA LYS 20 HA LYS 20 28.664 25.761 25.088 153 HB2 LYS 20 HB2 LYS 20 30.333 26.847 23.745 154 HB3 LYS 20 HB3 LYS 20 31.054 25.849 24.993 155 HG2 LYS 20 HG2 LYS 20 32.442 25.194 23.334 156 HG3 LYS 20 HG3 LYS 20 31.172 24.050 22.975 157 HD2 LYS 20 HD2 LYS 20 31.918 25.122 20.933 158 HD3 LYS 20 HD3 LYS 20 30.244 25.574 21.284 159 HE2 LYS 20 HE2 LYS 20 31.708 27.444 20.411 160 HE3 LYS 20 HE3 LYS 20 30.814 27.780 21.888 161 HZ1 LYS 20 HZ1 LYS 20 33.712 27.081 21.789 162 HZ2 LYS 20 HZ2 LYS 20 33.070 28.554 22.088 163 HZ3 LYS 20 HZ3 LYS 20 32.872 27.352 23.161 164 H CYS 21 H CYS 21 27.951 27.124 23.126 165 HA CYS 21 HA CYS 21 26.428 25.328 21.275 166 HB2 CYS 21 HB2 CYS 21 25.181 26.927 22.799 167 HB3 CYS 21 HB3 CYS 21 25.869 28.244 21.845 168 H ILE 22 H ILE 22 26.766 25.404 19.083 169 HA ILE 22 HA ILE 22 27.911 27.806 17.857 170 HB ILE 22 HB ILE 22 29.892 26.463 18.378 171 HG12 ILE 22 HG12 ILE 22 29.330 26.531 15.379 172 HG13 ILE 22 HG13 ILE 22 29.742 27.936 16.366 173 HG21 ILE 22 HG21 ILE 22 28.771 24.180 18.215 174 HG22 ILE 22 HG22 ILE 22 28.875 24.334 16.451 175 HG23 ILE 22 HG23 ILE 22 30.349 24.298 17.437 176 HD11 ILE 22 HD11 ILE 22 31.731 27.152 15.228 177 HD12 ILE 22 HD12 ILE 22 31.914 26.867 16.973 178 HD13 ILE 22 HD13 ILE 22 31.525 25.519 15.874 179 H GLY 23 H GLY 23 26.822 28.302 16.061 180 HA2 GLY 23 HA2 GLY 23 25.402 28.127 14.227 181 HA3 GLY 23 HA3 GLY 23 25.691 26.380 14.193 182 H GLU 24 H GLU 24 24.439 28.169 16.973 183 HA GLU 24 HA GLU 24 22.715 27.786 18.361 184 HB2 GLU 24 HB2 GLU 24 20.972 27.553 15.909 185 HB3 GLU 24 HB3 GLU 24 20.503 28.039 17.536 186 HG2 GLU 24 HG2 GLU 24 22.202 29.560 15.542 187 HG3 GLU 24 HG3 GLU 24 20.640 30.012 16.191 188 H GLU 25 H GLU 25 24.166 25.354 17.440 189 HA GLU 25 HA GLU 25 22.372 23.424 18.801 190 HB2 GLU 25 HB2 GLU 25 24.196 22.777 16.457 191 HB3 GLU 25 HB3 GLU 25 23.327 21.593 17.413 192 HG2 GLU 25 HG2 GLU 25 22.171 23.667 15.529 193 HG3 GLU 25 HG3 GLU 25 22.259 21.938 15.277 194 H CYS 26 H CYS 26 23.731 21.643 19.850 195 HA CYS 26 HA CYS 26 25.884 23.053 21.267 196 HB2 CYS 26 HB2 CYS 26 24.152 20.648 21.767 197 HB3 CYS 26 HB3 CYS 26 25.551 21.014 22.769 198 H GLU 27 H GLU 27 27.823 22.185 21.912 199 HA GLU 27 HA GLU 27 29.039 19.869 20.510 200 HB2 GLU 27 HB2 GLU 27 29.316 21.698 18.955 201 HB3 GLU 27 HB3 GLU 27 29.705 22.822 20.247 202 HG2 GLU 27 HG2 GLU 27 31.641 22.482 19.065 203 HG3 GLU 27 HG3 GLU 27 31.878 21.662 20.608 204 H CYS 28 H CYS 28 30.666 18.923 21.771 205 HA CYS 28 HA CYS 28 31.367 20.200 24.399 206 HB2 CYS 28 HB2 CYS 28 32.076 17.428 23.490 207 HB3 CYS 28 HB3 CYS 28 32.183 18.118 25.102 208 H VAL 29 H VAL 29 33.437 20.765 24.960 209 HA VAL 29 HA VAL 29 35.539 20.493 22.855 210 HB VAL 29 HB VAL 29 36.315 22.744 23.176 211 HG11 VAL 29 HG11 VAL 29 33.380 22.722 22.356 212 HG12 VAL 29 HG12 VAL 29 34.630 23.889 21.875 213 HG13 VAL 29 HG13 VAL 29 34.745 22.213 21.337 214 HG21 VAL 29 HG21 VAL 29 34.906 24.479 24.229 215 HG22 VAL 29 HG22 VAL 29 33.815 23.227 24.858 216 HG23 VAL 29 HG23 VAL 29 35.504 23.317 25.406 217 HA PRO 30 HA PRO 30 37.867 19.004 26.267 218 HB2 PRO 30 HB2 PRO 30 40.319 18.675 25.141 219 HB3 PRO 30 HB3 PRO 30 38.881 17.756 24.573 220 HG2 PRO 30 HG2 PRO 30 40.052 20.315 23.405 221 HG3 PRO 30 HG3 PRO 30 39.645 18.790 22.544 222 HD2 PRO 30 HD2 PRO 30 37.908 20.902 22.644 223 HD3 PRO 30 HD3 PRO 30 37.335 19.204 22.683 224 H TYR 31 H TYR 31 38.301 22.161 25.221 225 HA TYR 31 HA TYR 31 40.824 22.847 26.360 226 HB2 TYR 31 HB2 TYR 31 38.611 24.779 25.656 227 HB3 TYR 31 HB3 TYR 31 40.346 25.061 25.643 228 HD1 TYR 31 HD1 TYR 31 37.702 24.818 23.517 229 HD2 TYR 31 HD2 TYR 31 41.568 22.985 24.103 230 HE1 TYR 31 HE1 TYR 31 37.694 24.042 21.159 231 HE2 TYR 31 HE2 TYR 31 41.552 22.202 21.737 232 HH TYR 31 HH TYR 31 38.982 23.107 19.474 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 18.126 30.315 15.693 2 H2 ALA 1 H2 ALA 1 17.780 31.706 16.507 3 H3 ALA 1 H3 ALA 1 16.570 30.860 15.768 4 HA ALA 1 HA ALA 1 16.417 30.472 18.064 5 HB1 ALA 1 HB1 ALA 1 16.458 28.052 18.059 6 HB2 ALA 1 HB2 ALA 1 15.980 28.574 16.447 7 HB3 ALA 1 HB3 ALA 1 17.639 28.017 16.734 8 H PHE 2 H PHE 2 17.357 29.563 20.038 9 HA PHE 2 HA PHE 2 20.283 30.132 20.258 10 HB2 PHE 2 HB2 PHE 2 18.128 30.380 22.367 11 HB3 PHE 2 HB3 PHE 2 19.827 30.752 22.576 12 HD1 PHE 2 HD1 PHE 2 16.940 32.421 22.518 13 HD2 PHE 2 HD2 PHE 2 20.587 32.290 20.220 14 HE1 PHE 2 HE1 PHE 2 16.572 34.768 21.784 15 HE2 PHE 2 HE2 PHE 2 20.191 34.594 19.429 16 HZ PHE 2 HZ PHE 2 18.192 35.854 20.243 17 H CYS 3 H CYS 3 21.618 28.842 21.569 18 HA CYS 3 HA CYS 3 21.001 26.021 21.457 19 HB2 CYS 3 HB2 CYS 3 23.249 25.747 22.350 20 HB3 CYS 3 HB3 CYS 3 23.219 26.856 20.984 21 H ASN 4 H ASN 4 20.840 24.487 23.111 22 HA ASN 4 HA ASN 4 19.659 25.407 25.673 23 HB2 ASN 4 HB2 ASN 4 20.036 22.637 24.465 24 HB3 ASN 4 HB3 ASN 4 19.226 22.980 25.994 25 HD21 ASN 4 HD21 ASN 4 16.864 24.611 23.188 26 HD22 ASN 4 HD22 ASN 4 18.264 25.440 23.830 27 H LEU 5 H LEU 5 22.044 26.378 25.996 28 HA LEU 5 HA LEU 5 24.218 24.617 26.273 29 HB2 LEU 5 HB2 LEU 5 24.400 27.025 25.846 30 HB3 LEU 5 HB3 LEU 5 23.813 27.371 27.475 31 HG LEU 5 HG LEU 5 25.795 26.332 28.458 32 HD11 LEU 5 HD11 LEU 5 26.747 25.865 25.597 33 HD12 LEU 5 HD12 LEU 5 27.747 25.694 27.055 34 HD13 LEU 5 HD13 LEU 5 26.382 24.609 26.800 35 HD21 LEU 5 HD21 LEU 5 26.544 28.285 26.240 36 HD22 LEU 5 HD22 LEU 5 25.844 28.728 27.811 37 HD23 LEU 5 HD23 LEU 5 27.449 27.989 27.744 38 H ARG 6 H ARG 6 21.985 25.789 28.820 39 HA ARG 6 HA ARG 6 23.360 24.676 31.059 40 HB2 ARG 6 HB2 ARG 6 20.391 25.135 30.547 41 HB3 ARG 6 HB3 ARG 6 20.994 24.500 32.081 42 HG2 ARG 6 HG2 ARG 6 22.434 26.583 32.288 43 HG3 ARG 6 HG3 ARG 6 21.546 27.253 30.922 44 HD2 ARG 6 HD2 ARG 6 20.457 26.438 33.650 45 HD3 ARG 6 HD3 ARG 6 20.561 28.070 32.976 46 HE ARG 6 HE ARG 6 18.895 26.241 31.395 47 HH11 ARG 6 HH11 ARG 6 18.658 28.291 34.242 48 HH12 ARG 6 HH12 ARG 6 16.954 28.585 33.962 49 HH21 ARG 6 HH21 ARG 6 16.832 26.461 31.253 50 HH22 ARG 6 HH22 ARG 6 15.889 27.451 32.364 51 H ARG 7 H ARG 7 21.131 23.078 28.820 52 HA ARG 7 HA ARG 7 21.214 20.497 30.258 53 HB2 ARG 7 HB2 ARG 7 20.174 21.222 27.477 54 HB3 ARG 7 HB3 ARG 7 19.953 19.674 28.276 55 HG2 ARG 7 HG2 ARG 7 18.780 22.354 29.134 56 HG3 ARG 7 HG3 ARG 7 17.917 20.994 28.428 57 HD2 ARG 7 HD2 ARG 7 19.215 21.099 31.181 58 HD3 ARG 7 HD3 ARG 7 17.486 21.108 30.810 59 HE ARG 7 HE ARG 7 18.439 18.762 29.640 60 HH11 ARG 7 HH11 ARG 7 18.224 19.933 32.967 61 HH12 ARG 7 HH12 ARG 7 18.278 18.305 33.601 62 HH21 ARG 7 HH21 ARG 7 18.442 16.867 30.426 63 HH22 ARG 7 HH22 ARG 7 18.446 16.534 32.154 64 H CYS 8 H CYS 8 22.776 21.936 27.431 65 HA CYS 8 HA CYS 8 24.043 19.599 26.395 66 HB2 CYS 8 HB2 CYS 8 23.772 21.748 25.210 67 HB3 CYS 8 HB3 CYS 8 24.860 22.521 26.356 68 H GLU 9 H GLU 9 25.235 22.024 28.771 69 HA GLU 9 HA GLU 9 27.851 21.086 29.135 70 HB2 GLU 9 HB2 GLU 9 25.838 22.435 30.968 71 HB3 GLU 9 HB3 GLU 9 27.487 22.139 31.498 72 HG2 GLU 9 HG2 GLU 9 27.021 23.570 28.864 73 HG3 GLU 9 HG3 GLU 9 26.800 24.427 30.383 74 H LEU 10 H LEU 10 24.890 19.765 30.559 75 HA LEU 10 HA LEU 10 26.189 18.051 32.504 76 HB2 LEU 10 HB2 LEU 10 23.427 17.724 31.273 77 HB3 LEU 10 HB3 LEU 10 23.983 17.101 32.822 78 HG LEU 10 HG LEU 10 23.598 20.030 32.116 79 HD11 LEU 10 HD11 LEU 10 21.480 18.775 32.262 80 HD12 LEU 10 HD12 LEU 10 21.920 18.224 33.893 81 HD13 LEU 10 HD13 LEU 10 21.643 19.955 33.570 82 HD21 LEU 10 HD21 LEU 10 23.840 20.439 34.556 83 HD22 LEU 10 HD22 LEU 10 24.246 18.724 34.796 84 HD23 LEU 10 HD23 LEU 10 25.321 19.784 33.855 85 H SER 11 H SER 11 25.299 17.682 29.106 86 HA SER 11 HA SER 11 25.622 14.777 28.999 87 HB2 SER 11 HB2 SER 11 24.447 16.382 27.272 88 HB3 SER 11 HB3 SER 11 26.073 16.581 26.613 89 HG SER 11 HG SER 11 24.402 14.341 26.769 90 H CYS 12 H CYS 12 27.678 17.544 28.037 91 HA CYS 12 HA CYS 12 30.003 16.065 27.428 92 HB2 CYS 12 HB2 CYS 12 29.804 18.924 28.446 93 HB3 CYS 12 HB3 CYS 12 31.106 18.229 27.471 94 H ARG 13 H ARG 13 28.910 17.363 30.567 95 HA ARG 13 HA ARG 13 31.254 16.824 32.065 96 HB2 ARG 13 HB2 ARG 13 29.265 18.185 32.758 97 HB3 ARG 13 HB3 ARG 13 28.377 16.680 33.056 98 HG2 ARG 13 HG2 ARG 13 30.081 16.019 34.719 99 HG3 ARG 13 HG3 ARG 13 31.011 17.480 34.384 100 HD2 ARG 13 HD2 ARG 13 28.172 17.403 35.461 101 HD3 ARG 13 HD3 ARG 13 29.616 17.609 36.463 102 HE ARG 13 HE ARG 13 30.008 19.682 34.873 103 HH11 ARG 13 HH11 ARG 13 27.127 18.750 36.604 104 HH12 ARG 13 HH12 ARG 13 26.460 20.362 36.575 105 HH21 ARG 13 HH21 ARG 13 29.021 21.725 34.734 106 HH22 ARG 13 HH22 ARG 13 27.410 21.932 35.408 107 H SER 14 H SER 14 28.702 14.504 31.065 108 HA SER 14 HA SER 14 29.691 12.317 32.683 109 HB2 SER 14 HB2 SER 14 27.493 12.233 31.517 110 HB3 SER 14 HB3 SER 14 28.345 12.146 29.963 111 HG SER 14 HG SER 14 27.993 10.043 30.553 112 H LEU 15 H LEU 15 30.535 13.467 29.400 113 HA LEU 15 HA LEU 15 32.506 11.433 28.861 114 HB2 LEU 15 HB2 LEU 15 32.537 14.224 27.692 115 HB3 LEU 15 HB3 LEU 15 33.099 12.723 26.964 116 HG LEU 15 HG LEU 15 30.233 13.608 27.413 117 HD11 LEU 15 HD11 LEU 15 30.136 13.704 24.970 118 HD12 LEU 15 HD12 LEU 15 31.445 14.734 25.573 119 HD13 LEU 15 HD13 LEU 15 31.817 13.147 24.856 120 HD21 LEU 15 HD21 LEU 15 31.281 11.042 26.119 121 HD22 LEU 15 HD22 LEU 15 30.343 11.136 27.625 122 HD23 LEU 15 HD23 LEU 15 29.590 11.588 26.088 123 H GLY 16 H GLY 16 32.632 14.502 30.545 124 HA2 GLY 16 HA2 GLY 16 34.278 14.944 32.242 125 HA3 GLY 16 HA3 GLY 16 35.496 14.082 31.303 126 H LEU 17 H LEU 17 33.403 16.280 29.525 127 HA LEU 17 HA LEU 17 35.439 18.453 29.593 128 HB2 LEU 17 HB2 LEU 17 35.025 18.653 27.075 129 HB3 LEU 17 HB3 LEU 17 36.193 17.504 27.678 130 HG LEU 17 HG LEU 17 33.396 16.561 27.027 131 HD11 LEU 17 HD11 LEU 17 34.100 16.194 24.704 132 HD12 LEU 17 HD12 LEU 17 34.188 17.920 25.104 133 HD13 LEU 17 HD13 LEU 17 35.672 16.961 25.037 134 HD21 LEU 17 HD21 LEU 17 36.181 15.303 26.743 135 HD22 LEU 17 HD22 LEU 17 35.011 14.898 28.002 136 HD23 LEU 17 HD23 LEU 17 34.659 14.512 26.314 137 H LEU 18 H LEU 18 34.611 20.407 28.271 138 HA LEU 18 HA LEU 18 31.999 21.196 29.445 139 HB2 LEU 18 HB2 LEU 18 34.258 22.708 28.071 140 HB3 LEU 18 HB3 LEU 18 32.715 23.442 28.422 141 HG LEU 18 HG LEU 18 34.270 24.114 30.025 142 HD11 LEU 18 HD11 LEU 18 31.920 23.748 30.756 143 HD12 LEU 18 HD12 LEU 18 32.423 22.177 31.432 144 HD13 LEU 18 HD13 LEU 18 33.112 23.682 32.066 145 HD21 LEU 18 HD21 LEU 18 35.365 22.731 31.667 146 HD22 LEU 18 HD22 LEU 18 34.652 21.261 30.981 147 HD23 LEU 18 HD23 LEU 18 35.843 22.205 30.050 148 H GLY 19 H GLY 19 30.400 22.251 28.251 149 HA2 GLY 19 HA2 GLY 19 30.049 21.410 25.400 150 HA3 GLY 19 HA3 GLY 19 28.810 22.088 26.453 151 H LYS 20 H LYS 20 29.720 22.984 23.708 152 HA LYS 20 HA LYS 20 29.896 25.866 24.318 153 HB2 LYS 20 HB2 LYS 20 32.188 25.109 24.128 154 HB3 LYS 20 HB3 LYS 20 31.851 24.216 22.654 155 HG2 LYS 20 HG2 LYS 20 31.193 27.118 22.581 156 HG3 LYS 20 HG3 LYS 20 32.910 26.748 22.786 157 HD2 LYS 20 HD2 LYS 20 32.996 25.500 20.743 158 HD3 LYS 20 HD3 LYS 20 31.235 25.415 20.635 159 HE2 LYS 20 HE2 LYS 20 32.093 27.027 19.036 160 HE3 LYS 20 HE3 LYS 20 31.078 27.804 20.261 161 HZ1 LYS 20 HZ1 LYS 20 33.239 28.970 19.676 162 HZ2 LYS 20 HZ2 LYS 20 32.914 28.765 21.272 163 HZ3 LYS 20 HZ3 LYS 20 34.016 27.786 20.550 164 H CYS 21 H CYS 21 28.769 27.109 22.819 165 HA CYS 21 HA CYS 21 26.880 25.581 21.244 166 HB2 CYS 21 HB2 CYS 21 27.090 28.546 21.757 167 HB3 CYS 21 HB3 CYS 21 25.788 27.737 20.876 168 H ILE 22 H ILE 22 26.384 25.685 19.112 169 HA ILE 22 HA ILE 22 28.537 26.512 17.204 170 HB ILE 22 HB ILE 22 26.914 23.955 17.066 171 HG12 ILE 22 HG12 ILE 22 28.410 23.734 18.987 172 HG13 ILE 22 HG13 ILE 22 28.840 22.668 17.671 173 HG21 ILE 22 HG21 ILE 22 29.315 24.937 15.455 174 HG22 ILE 22 HG22 ILE 22 28.590 23.319 15.332 175 HG23 ILE 22 HG23 ILE 22 27.660 24.739 14.868 176 HD11 ILE 22 HD11 ILE 22 30.764 24.037 17.071 177 HD12 ILE 22 HD12 ILE 22 30.304 25.272 18.261 178 HD13 ILE 22 HD13 ILE 22 30.811 23.662 18.800 179 H GLY 23 H GLY 23 27.209 28.458 17.070 180 HA2 GLY 23 HA2 GLY 23 25.863 29.814 15.774 181 HA3 GLY 23 HA3 GLY 23 25.385 28.417 14.814 182 H GLU 24 H GLU 24 23.802 26.928 15.861 183 HA GLU 24 HA GLU 24 21.852 28.278 17.690 184 HB2 GLU 24 HB2 GLU 24 21.084 26.805 15.152 185 HB3 GLU 24 HB3 GLU 24 19.997 27.605 16.296 186 HG2 GLU 24 HG2 GLU 24 21.171 29.792 15.753 187 HG3 GLU 24 HG3 GLU 24 22.075 28.942 14.497 188 H GLU 25 H GLU 25 23.842 25.774 17.419 189 HA GLU 25 HA GLU 25 22.228 23.802 18.985 190 HB2 GLU 25 HB2 GLU 25 24.465 23.334 16.970 191 HB3 GLU 25 HB3 GLU 25 23.688 22.075 17.905 192 HG2 GLU 25 HG2 GLU 25 22.315 23.789 15.806 193 HG3 GLU 25 HG3 GLU 25 22.941 22.165 15.568 194 H CYS 26 H CYS 26 23.982 22.178 20.054 195 HA CYS 26 HA CYS 26 26.434 23.587 20.906 196 HB2 CYS 26 HB2 CYS 26 24.784 24.155 22.577 197 HB3 CYS 26 HB3 CYS 26 24.361 22.463 22.811 198 H GLU 27 H GLU 27 28.156 22.326 21.507 199 HA GLU 27 HA GLU 27 28.002 19.376 21.349 200 HB2 GLU 27 HB2 GLU 27 29.771 21.085 19.538 201 HB3 GLU 27 HB3 GLU 27 29.958 19.352 19.807 202 HG2 GLU 27 HG2 GLU 27 27.589 19.040 18.949 203 HG3 GLU 27 HG3 GLU 27 27.605 20.740 18.466 204 H CYS 28 H CYS 28 30.002 18.338 22.126 205 HA CYS 28 HA CYS 28 31.166 19.885 24.346 206 HB2 CYS 28 HB2 CYS 28 31.763 17.020 23.622 207 HB3 CYS 28 HB3 CYS 28 31.973 17.840 25.167 208 H VAL 29 H VAL 29 33.287 20.487 24.615 209 HA VAL 29 HA VAL 29 35.126 20.107 22.295 210 HB VAL 29 HB VAL 29 35.852 22.449 22.512 211 HG11 VAL 29 HG11 VAL 29 34.027 23.407 21.255 212 HG12 VAL 29 HG12 VAL 29 34.257 21.721 20.770 213 HG13 VAL 29 HG13 VAL 29 32.906 22.157 21.835 214 HG21 VAL 29 HG21 VAL 29 35.065 22.962 24.798 215 HG22 VAL 29 HG22 VAL 29 34.443 24.111 23.610 216 HG23 VAL 29 HG23 VAL 29 33.384 22.836 24.249 217 HA PRO 30 HA PRO 30 38.026 18.964 25.332 218 HB2 PRO 30 HB2 PRO 30 40.329 18.920 23.926 219 HB3 PRO 30 HB3 PRO 30 38.952 17.864 23.494 220 HG2 PRO 30 HG2 PRO 30 39.716 20.571 22.299 221 HG3 PRO 30 HG3 PRO 30 39.363 19.041 21.438 222 HD2 PRO 30 HD2 PRO 30 37.458 20.932 21.789 223 HD3 PRO 30 HD3 PRO 30 37.072 19.179 21.857 224 H TYR 31 H TYR 31 37.946 22.162 24.519 225 HA TYR 31 HA TYR 31 40.470 23.090 25.626 226 HB2 TYR 31 HB2 TYR 31 38.100 24.810 24.906 227 HB3 TYR 31 HB3 TYR 31 39.799 25.235 24.884 228 HD1 TYR 31 HD1 TYR 31 41.215 23.435 23.244 229 HD2 TYR 31 HD2 TYR 31 37.113 24.693 22.818 230 HE1 TYR 31 HE1 TYR 31 41.279 22.856 20.816 231 HE2 TYR 31 HE2 TYR 31 37.183 24.123 20.403 232 HH TYR 31 HH TYR 31 38.617 23.662 18.648 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 14.080 24.625 21.331 2 H2 ALA 1 H2 ALA 1 13.752 25.657 20.104 3 H3 ALA 1 H3 ALA 1 12.891 25.737 21.503 4 HA ALA 1 HA ALA 1 14.557 27.523 21.283 5 HB1 ALA 1 HB1 ALA 1 15.446 27.311 23.556 6 HB2 ALA 1 HB2 ALA 1 13.750 26.790 23.522 7 HB3 ALA 1 HB3 ALA 1 15.043 25.579 23.587 8 H PHE 2 H PHE 2 16.488 28.012 20.357 9 HA PHE 2 HA PHE 2 18.321 25.879 19.551 10 HB2 PHE 2 HB2 PHE 2 18.446 28.893 19.223 11 HB3 PHE 2 HB3 PHE 2 19.600 27.758 18.534 12 HD1 PHE 2 HD1 PHE 2 16.649 29.565 17.805 13 HD2 PHE 2 HD2 PHE 2 18.484 25.707 17.192 14 HE1 PHE 2 HE1 PHE 2 15.177 29.159 15.848 15 HE2 PHE 2 HE2 PHE 2 17.040 25.326 15.233 16 HZ PHE 2 HZ PHE 2 15.356 27.044 14.559 17 H CYS 3 H CYS 3 20.554 25.709 20.092 18 HA CYS 3 HA CYS 3 22.030 25.118 21.674 19 HB2 CYS 3 HB2 CYS 3 21.934 28.111 21.639 20 HB3 CYS 3 HB3 CYS 3 22.989 27.275 22.769 21 H ASN 4 H ASN 4 20.702 23.822 23.006 22 HA ASN 4 HA ASN 4 19.664 24.861 25.568 23 HB2 ASN 4 HB2 ASN 4 20.117 22.017 24.565 24 HB3 ASN 4 HB3 ASN 4 19.319 22.465 26.076 25 HD21 ASN 4 HD21 ASN 4 16.820 23.933 23.387 26 HD22 ASN 4 HD22 ASN 4 18.132 24.811 24.139 27 H LEU 5 H LEU 5 21.814 25.990 25.907 28 HA LEU 5 HA LEU 5 24.255 24.708 26.190 29 HB2 LEU 5 HB2 LEU 5 23.936 27.105 25.905 30 HB3 LEU 5 HB3 LEU 5 23.166 27.222 27.481 31 HG LEU 5 HG LEU 5 25.297 26.623 28.596 32 HD11 LEU 5 HD11 LEU 5 26.419 26.674 25.768 33 HD12 LEU 5 HD12 LEU 5 27.395 26.669 27.257 34 HD13 LEU 5 HD13 LEU 5 26.390 25.275 26.874 35 HD21 LEU 5 HD21 LEU 5 26.476 28.736 28.059 36 HD22 LEU 5 HD22 LEU 5 25.474 28.920 26.600 37 HD23 LEU 5 HD23 LEU 5 24.730 28.980 28.211 38 H ARG 6 H ARG 6 21.843 25.191 28.833 39 HA ARG 6 HA ARG 6 23.615 24.112 30.875 40 HB2 ARG 6 HB2 ARG 6 21.693 25.608 31.396 41 HB3 ARG 6 HB3 ARG 6 20.593 24.344 30.877 42 HG2 ARG 6 HG2 ARG 6 20.506 23.778 33.032 43 HG3 ARG 6 HG3 ARG 6 22.015 22.938 32.769 44 HD2 ARG 6 HD2 ARG 6 21.742 25.787 33.820 45 HD3 ARG 6 HD3 ARG 6 21.917 24.338 34.806 46 HE ARG 6 HE ARG 6 24.077 24.950 32.833 47 HH11 ARG 6 HH11 ARG 6 23.157 25.101 36.253 48 HH12 ARG 6 HH12 ARG 6 24.822 25.267 36.730 49 HH21 ARG 6 HH21 ARG 6 26.004 25.364 33.521 50 HH22 ARG 6 HH22 ARG 6 26.389 25.450 35.254 51 H ARG 7 H ARG 7 20.957 22.572 28.971 52 HA ARG 7 HA ARG 7 21.399 19.932 30.112 53 HB2 ARG 7 HB2 ARG 7 20.281 20.687 27.373 54 HB3 ARG 7 HB3 ARG 7 20.253 19.064 28.080 55 HG2 ARG 7 HG2 ARG 7 18.941 19.965 30.020 56 HG3 ARG 7 HG3 ARG 7 18.881 21.534 29.201 57 HD2 ARG 7 HD2 ARG 7 17.718 20.466 27.275 58 HD3 ARG 7 HD3 ARG 7 17.745 18.919 28.148 59 HE ARG 7 HE ARG 7 16.527 21.159 29.620 60 HH11 ARG 7 HH11 ARG 7 15.774 18.447 27.466 61 HH12 ARG 7 HH12 ARG 7 14.084 18.523 27.889 62 HH21 ARG 7 HH21 ARG 7 14.434 21.110 30.137 63 HH22 ARG 7 HH22 ARG 7 13.358 19.903 29.455 64 H CYS 8 H CYS 8 22.775 21.519 27.266 65 HA CYS 8 HA CYS 8 24.418 19.429 26.312 66 HB2 CYS 8 HB2 CYS 8 23.928 21.469 25.079 67 HB3 CYS 8 HB3 CYS 8 24.714 22.438 26.310 68 H GLU 9 H GLU 9 25.386 22.128 28.592 69 HA GLU 9 HA GLU 9 28.045 21.108 28.727 70 HB2 GLU 9 HB2 GLU 9 28.506 22.885 30.183 71 HB3 GLU 9 HB3 GLU 9 27.327 23.469 29.028 72 HG2 GLU 9 HG2 GLU 9 25.581 22.927 30.875 73 HG3 GLU 9 HG3 GLU 9 26.965 22.788 31.962 74 H LEU 10 H LEU 10 25.258 20.481 30.865 75 HA LEU 10 HA LEU 10 26.731 18.851 32.772 76 HB2 LEU 10 HB2 LEU 10 23.801 18.766 31.928 77 HB3 LEU 10 HB3 LEU 10 24.473 17.993 33.363 78 HG LEU 10 HG LEU 10 24.489 20.990 32.862 79 HD11 LEU 10 HD11 LEU 10 22.634 19.321 34.612 80 HD12 LEU 10 HD12 LEU 10 22.662 21.096 34.524 81 HD13 LEU 10 HD13 LEU 10 22.186 20.151 33.103 82 HD21 LEU 10 HD21 LEU 10 26.245 20.308 34.425 83 HD22 LEU 10 HD22 LEU 10 24.959 21.164 35.281 84 HD23 LEU 10 HD23 LEU 10 25.051 19.394 35.386 85 H SER 11 H SER 11 25.031 18.159 29.740 86 HA SER 11 HA SER 11 25.445 15.314 29.698 87 HB2 SER 11 HB2 SER 11 23.788 16.245 28.298 88 HB3 SER 11 HB3 SER 11 24.917 17.380 27.557 89 HG SER 11 HG SER 11 25.344 15.995 26.153 90 H CYS 12 H CYS 12 27.491 17.955 28.283 91 HA CYS 12 HA CYS 12 29.539 16.197 27.318 92 HB2 CYS 12 HB2 CYS 12 29.783 19.091 28.209 93 HB3 CYS 12 HB3 CYS 12 30.915 18.217 27.187 94 H ARG 13 H ARG 13 29.092 17.802 30.495 95 HA ARG 13 HA ARG 13 31.547 16.996 31.685 96 HB2 ARG 13 HB2 ARG 13 29.851 18.690 32.489 97 HB3 ARG 13 HB3 ARG 13 28.862 17.346 33.075 98 HG2 ARG 13 HG2 ARG 13 30.725 16.677 34.604 99 HG3 ARG 13 HG3 ARG 13 31.724 17.973 33.923 100 HD2 ARG 13 HD2 ARG 13 30.851 18.904 35.896 101 HD3 ARG 13 HD3 ARG 13 29.877 19.602 34.600 102 HE ARG 13 HE ARG 13 28.682 17.174 35.655 103 HH11 ARG 13 HH11 ARG 13 28.873 20.638 36.290 104 HH12 ARG 13 HH12 ARG 13 27.365 20.624 37.180 105 HH21 ARG 13 HH21 ARG 13 27.047 17.196 37.108 106 HH22 ARG 13 HH22 ARG 13 26.292 18.702 37.542 107 H SER 14 H SER 14 28.545 15.158 31.221 108 HA SER 14 HA SER 14 29.243 12.856 32.771 109 HB2 SER 14 HB2 SER 14 26.987 13.410 31.677 110 HB3 SER 14 HB3 SER 14 27.693 12.826 30.162 111 HG SER 14 HG SER 14 26.988 11.465 32.482 112 H LEU 15 H LEU 15 30.306 13.890 29.562 113 HA LEU 15 HA LEU 15 31.678 11.372 28.914 114 HB2 LEU 15 HB2 LEU 15 32.082 14.080 27.612 115 HB3 LEU 15 HB3 LEU 15 32.419 12.496 26.936 116 HG LEU 15 HG LEU 15 29.665 13.656 27.494 117 HD11 LEU 15 HD11 LEU 15 29.492 13.834 25.052 118 HD12 LEU 15 HD12 LEU 15 30.838 14.804 25.671 119 HD13 LEU 15 HD13 LEU 15 31.160 13.242 24.889 120 HD21 LEU 15 HD21 LEU 15 30.529 11.078 26.080 121 HD22 LEU 15 HD22 LEU 15 29.626 11.186 27.611 122 HD23 LEU 15 HD23 LEU 15 28.874 11.718 26.103 123 H GLY 16 H GLY 16 32.454 14.532 30.243 124 HA2 GLY 16 HA2 GLY 16 34.352 14.791 31.784 125 HA3 GLY 16 HA3 GLY 16 35.322 13.786 30.708 126 H LEU 17 H LEU 17 33.246 16.147 29.115 127 HA LEU 17 HA LEU 17 35.493 18.079 28.858 128 HB2 LEU 17 HB2 LEU 17 34.923 18.130 26.359 129 HB3 LEU 17 HB3 LEU 17 36.014 16.922 26.978 130 HG LEU 17 HG LEU 17 33.094 16.204 26.610 131 HD11 LEU 17 HD11 LEU 17 33.850 17.315 24.516 132 HD12 LEU 17 HD12 LEU 17 35.215 16.189 24.423 133 HD13 LEU 17 HD13 LEU 17 33.547 15.585 24.293 134 HD21 LEU 17 HD21 LEU 17 35.728 14.670 26.271 135 HD22 LEU 17 HD22 LEU 17 34.587 14.459 27.603 136 HD23 LEU 17 HD23 LEU 17 34.120 13.996 25.964 137 H LEU 18 H LEU 18 34.678 20.006 27.307 138 HA LEU 18 HA LEU 18 32.583 21.188 29.016 139 HB2 LEU 18 HB2 LEU 18 34.766 22.379 27.274 140 HB3 LEU 18 HB3 LEU 18 33.465 23.321 27.977 141 HG LEU 18 HG LEU 18 34.172 22.649 30.261 142 HD11 LEU 18 HD11 LEU 18 36.537 21.389 28.807 143 HD12 LEU 18 HD12 LEU 18 36.533 21.814 30.532 144 HD13 LEU 18 HD13 LEU 18 35.408 20.596 29.944 145 HD21 LEU 18 HD21 LEU 18 34.875 24.758 29.212 146 HD22 LEU 18 HD22 LEU 18 36.133 24.136 30.288 147 HD23 LEU 18 HD23 LEU 18 36.307 23.958 28.524 148 H GLY 19 H GLY 19 30.680 21.901 28.293 149 HA2 GLY 19 HA2 GLY 19 30.008 21.722 25.371 150 HA3 GLY 19 HA3 GLY 19 28.856 21.763 26.698 151 H LYS 20 H LYS 20 29.768 23.512 24.169 152 HA LYS 20 HA LYS 20 28.533 25.889 25.251 153 HB2 LYS 20 HB2 LYS 20 30.178 27.539 24.607 154 HB3 LYS 20 HB3 LYS 20 30.669 26.541 25.948 155 HG2 LYS 20 HG2 LYS 20 31.703 26.189 23.109 156 HG3 LYS 20 HG3 LYS 20 32.462 27.165 24.356 157 HD2 LYS 20 HD2 LYS 20 32.600 25.081 25.823 158 HD3 LYS 20 HD3 LYS 20 32.095 24.144 24.413 159 HE2 LYS 20 HE2 LYS 20 34.442 23.999 24.623 160 HE3 LYS 20 HE3 LYS 20 34.048 24.890 23.145 161 HZ1 LYS 20 HZ1 LYS 20 34.834 26.863 24.111 162 HZ2 LYS 20 HZ2 LYS 20 34.643 26.309 25.661 163 HZ3 LYS 20 HZ3 LYS 20 35.869 25.731 24.763 164 H CYS 21 H CYS 21 27.869 27.470 23.716 165 HA CYS 21 HA CYS 21 26.478 26.107 21.626 166 HB2 CYS 21 HB2 CYS 21 25.494 27.874 22.990 167 HB3 CYS 21 HB3 CYS 21 26.665 29.029 22.356 168 H ILE 22 H ILE 22 26.784 25.898 19.508 169 HA ILE 22 HA ILE 22 28.460 27.830 17.984 170 HB ILE 22 HB ILE 22 28.402 24.801 17.733 171 HG12 ILE 22 HG12 ILE 22 29.982 25.523 19.440 172 HG13 ILE 22 HG13 ILE 22 30.788 24.820 18.053 173 HG21 ILE 22 HG21 ILE 22 29.968 25.088 15.800 174 HG22 ILE 22 HG22 ILE 22 28.328 25.645 15.478 175 HG23 ILE 22 HG23 ILE 22 29.610 26.827 15.813 176 HD11 ILE 22 HD11 ILE 22 32.027 26.743 18.868 177 HD12 ILE 22 HD12 ILE 22 31.422 27.087 17.243 178 HD13 ILE 22 HD13 ILE 22 30.619 27.793 18.668 179 H GLY 23 H GLY 23 27.278 28.764 16.433 180 HA2 GLY 23 HA2 GLY 23 25.695 29.215 14.871 181 HA3 GLY 23 HA3 GLY 23 25.573 27.469 14.632 182 H GLU 24 H GLU 24 24.139 26.318 16.108 183 HA GLU 24 HA GLU 24 21.980 27.768 17.462 184 HB2 GLU 24 HB2 GLU 24 20.176 27.051 16.086 185 HB3 GLU 24 HB3 GLU 24 21.365 27.767 15.021 186 HG2 GLU 24 HG2 GLU 24 22.198 25.238 14.766 187 HG3 GLU 24 HG3 GLU 24 20.561 24.871 15.306 188 H GLU 25 H GLU 25 24.118 25.385 17.632 189 HA GLU 25 HA GLU 25 22.525 23.677 19.423 190 HB2 GLU 25 HB2 GLU 25 22.225 22.626 17.244 191 HB3 GLU 25 HB3 GLU 25 23.958 22.694 16.940 192 HG2 GLU 25 HG2 GLU 25 23.587 20.480 17.468 193 HG3 GLU 25 HG3 GLU 25 24.263 21.125 18.952 194 H CYS 26 H CYS 26 23.689 23.076 21.137 195 HA CYS 26 HA CYS 26 26.432 24.074 21.379 196 HB2 CYS 26 HB2 CYS 26 24.834 24.486 23.108 197 HB3 CYS 26 HB3 CYS 26 24.463 22.767 23.263 198 H GLU 27 H GLU 27 28.305 22.977 21.464 199 HA GLU 27 HA GLU 27 28.194 20.024 21.147 200 HB2 GLU 27 HB2 GLU 27 29.697 19.936 19.427 201 HB3 GLU 27 HB3 GLU 27 28.561 21.189 18.953 202 HG2 GLU 27 HG2 GLU 27 30.226 22.918 19.478 203 HG3 GLU 27 HG3 GLU 27 31.339 21.688 20.114 204 H CYS 28 H CYS 28 29.791 18.771 21.933 205 HA CYS 28 HA CYS 28 31.213 19.898 24.228 206 HB2 CYS 28 HB2 CYS 28 31.226 17.037 23.239 207 HB3 CYS 28 HB3 CYS 28 31.644 17.630 24.841 208 H VAL 29 H VAL 29 33.332 20.383 24.305 209 HA VAL 29 HA VAL 29 35.332 18.869 22.786 210 HB VAL 29 HB VAL 29 36.606 20.854 22.084 211 HG11 VAL 29 HG11 VAL 29 33.859 20.890 20.792 212 HG12 VAL 29 HG12 VAL 29 35.400 21.409 20.086 213 HG13 VAL 29 HG13 VAL 29 35.134 19.697 20.449 214 HG21 VAL 29 HG21 VAL 29 35.571 23.058 21.881 215 HG22 VAL 29 HG22 VAL 29 34.124 22.476 22.731 216 HG23 VAL 29 HG23 VAL 29 35.691 22.571 23.575 217 HA PRO 30 HA PRO 30 37.265 19.557 26.782 218 HB2 PRO 30 HB2 PRO 30 39.884 18.956 26.356 219 HB3 PRO 30 HB3 PRO 30 38.584 17.730 26.265 220 HG2 PRO 30 HG2 PRO 30 39.897 19.227 23.988 221 HG3 PRO 30 HG3 PRO 30 39.592 17.468 24.123 222 HD2 PRO 30 HD2 PRO 30 37.922 19.157 22.757 223 HD3 PRO 30 HD3 PRO 30 37.311 17.726 23.638 224 H TYR 31 H TYR 31 37.821 21.626 24.219 225 HA TYR 31 HA TYR 31 40.042 23.195 25.057 226 HB2 TYR 31 HB2 TYR 31 37.910 23.806 22.995 227 HB3 TYR 31 HB3 TYR 31 39.512 24.501 23.075 228 HD1 TYR 31 HD1 TYR 31 40.928 21.676 23.659 229 HD2 TYR 31 HD2 TYR 31 38.175 23.168 20.694 230 HE1 TYR 31 HE1 TYR 31 41.682 19.916 22.083 231 HE2 TYR 31 HE2 TYR 31 38.977 21.440 19.099 232 HH TYR 31 HH TYR 31 41.450 19.005 19.978 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 14.961 28.818 16.680 2 H2 ALA 1 H2 ALA 1 16.462 28.139 16.598 3 H3 ALA 1 H3 ALA 1 16.292 29.762 16.833 4 HA ALA 1 HA ALA 1 15.239 29.392 18.959 5 HB1 ALA 1 HB1 ALA 1 15.373 27.058 19.893 6 HB2 ALA 1 HB2 ALA 1 14.283 27.202 18.506 7 HB3 ALA 1 HB3 ALA 1 15.889 26.485 18.293 8 H PHE 2 H PHE 2 16.576 29.684 20.784 9 HA PHE 2 HA PHE 2 19.421 29.913 20.355 10 HB2 PHE 2 HB2 PHE 2 17.846 29.891 22.953 11 HB3 PHE 2 HB3 PHE 2 19.502 30.440 22.761 12 HD1 PHE 2 HD1 PHE 2 17.038 31.977 23.875 13 HD2 PHE 2 HD2 PHE 2 19.013 31.964 20.039 14 HE1 PHE 2 HE1 PHE 2 16.177 34.255 23.413 15 HE2 PHE 2 HE2 PHE 2 18.107 34.186 19.574 16 HZ PHE 2 HZ PHE 2 16.678 35.364 21.246 17 H CYS 3 H CYS 3 21.116 28.840 21.563 18 HA CYS 3 HA CYS 3 20.797 25.930 21.609 19 HB2 CYS 3 HB2 CYS 3 23.195 25.889 22.037 20 HB3 CYS 3 HB3 CYS 3 22.795 26.925 20.677 21 H ASN 4 H ASN 4 20.456 24.661 23.305 22 HA ASN 4 HA ASN 4 19.970 25.785 25.958 23 HB2 ASN 4 HB2 ASN 4 19.659 22.967 24.883 24 HB3 ASN 4 HB3 ASN 4 19.202 23.507 26.498 25 HD21 ASN 4 HD21 ASN 4 16.794 24.382 23.350 26 HD22 ASN 4 HD22 ASN 4 18.449 23.835 23.068 27 H LEU 5 H LEU 5 22.299 26.479 26.216 28 HA LEU 5 HA LEU 5 24.434 24.578 26.059 29 HB2 LEU 5 HB2 LEU 5 24.715 26.978 25.644 30 HB3 LEU 5 HB3 LEU 5 24.281 27.345 27.314 31 HG LEU 5 HG LEU 5 26.310 26.188 28.123 32 HD11 LEU 5 HD11 LEU 5 28.094 25.594 26.471 33 HD12 LEU 5 HD12 LEU 5 26.698 24.521 26.380 34 HD13 LEU 5 HD13 LEU 5 26.921 25.801 25.155 35 HD21 LEU 5 HD21 LEU 5 26.381 28.607 27.593 36 HD22 LEU 5 HD22 LEU 5 27.946 27.823 27.330 37 HD23 LEU 5 HD23 LEU 5 26.914 28.227 25.943 38 H ARG 6 H ARG 6 22.545 25.766 28.827 39 HA ARG 6 HA ARG 6 24.201 24.463 30.860 40 HB2 ARG 6 HB2 ARG 6 21.320 25.415 31.079 41 HB3 ARG 6 HB3 ARG 6 22.430 25.076 32.402 42 HG2 ARG 6 HG2 ARG 6 22.324 27.440 30.556 43 HG3 ARG 6 HG3 ARG 6 22.305 27.379 32.310 44 HD2 ARG 6 HD2 ARG 6 24.668 27.082 30.432 45 HD3 ARG 6 HD3 ARG 6 24.396 28.342 31.629 46 HE ARG 6 HE ARG 6 25.556 25.692 32.033 47 HH11 ARG 6 HH11 ARG 6 24.032 28.342 33.881 48 HH12 ARG 6 HH12 ARG 6 24.882 27.800 35.318 49 HH21 ARG 6 HH21 ARG 6 26.401 25.117 33.917 50 HH22 ARG 6 HH22 ARG 6 26.090 26.093 35.360 51 H ARG 7 H ARG 7 21.696 23.358 28.781 52 HA ARG 7 HA ARG 7 21.325 20.821 30.298 53 HB2 ARG 7 HB2 ARG 7 19.459 22.021 29.094 54 HB3 ARG 7 HB3 ARG 7 20.243 21.601 27.560 55 HG2 ARG 7 HG2 ARG 7 20.019 19.201 28.073 56 HG3 ARG 7 HG3 ARG 7 19.331 19.570 29.661 57 HD2 ARG 7 HD2 ARG 7 18.125 20.397 26.996 58 HD3 ARG 7 HD3 ARG 7 17.643 18.966 27.905 59 HE ARG 7 HE ARG 7 17.095 20.623 29.818 60 HH11 ARG 7 HH11 ARG 7 16.676 21.697 26.447 61 HH12 ARG 7 HH12 ARG 7 15.551 22.931 27.003 62 HH21 ARG 7 HH21 ARG 7 15.579 22.036 30.261 63 HH22 ARG 7 HH22 ARG 7 14.911 23.059 28.969 64 H CYS 8 H CYS 8 22.888 21.968 27.330 65 HA CYS 8 HA CYS 8 23.927 19.530 26.350 66 HB2 CYS 8 HB2 CYS 8 23.849 21.658 25.141 67 HB3 CYS 8 HB3 CYS 8 24.993 22.367 26.273 68 H GLU 9 H GLU 9 25.447 21.823 28.740 69 HA GLU 9 HA GLU 9 27.845 20.356 29.019 70 HB2 GLU 9 HB2 GLU 9 28.348 21.648 30.878 71 HB3 GLU 9 HB3 GLU 9 27.353 22.692 29.871 72 HG2 GLU 9 HG2 GLU 9 25.396 22.117 31.359 73 HG3 GLU 9 HG3 GLU 9 26.494 21.190 32.392 74 H LEU 10 H LEU 10 24.715 19.625 30.460 75 HA LEU 10 HA LEU 10 25.606 17.781 32.469 76 HB2 LEU 10 HB2 LEU 10 22.998 17.623 30.924 77 HB3 LEU 10 HB3 LEU 10 23.324 17.019 32.539 78 HG LEU 10 HG LEU 10 23.182 19.926 31.697 79 HD11 LEU 10 HD11 LEU 10 21.003 18.760 31.741 80 HD12 LEU 10 HD12 LEU 10 21.304 18.252 33.415 81 HD13 LEU 10 HD13 LEU 10 21.113 19.975 33.027 82 HD21 LEU 10 HD21 LEU 10 23.557 18.724 34.481 83 HD22 LEU 10 HD22 LEU 10 24.752 19.691 33.586 84 HD23 LEU 10 HD23 LEU 10 23.250 20.441 34.133 85 H SER 11 H SER 11 25.244 17.453 29.011 86 HA SER 11 HA SER 11 25.578 14.502 28.992 87 HB2 SER 11 HB2 SER 11 24.339 15.571 27.170 88 HB3 SER 11 HB3 SER 11 25.740 16.569 26.762 89 HG SER 11 HG SER 11 26.181 14.994 25.477 90 H CYS 12 H CYS 12 27.553 17.411 28.153 91 HA CYS 12 HA CYS 12 29.916 16.023 27.570 92 HB2 CYS 12 HB2 CYS 12 29.710 18.821 28.693 93 HB3 CYS 12 HB3 CYS 12 30.971 18.172 27.645 94 H ARG 13 H ARG 13 28.750 17.118 30.731 95 HA ARG 13 HA ARG 13 31.007 16.690 32.354 96 HB2 ARG 13 HB2 ARG 13 28.804 17.709 32.964 97 HB3 ARG 13 HB3 ARG 13 28.097 16.094 33.054 98 HG2 ARG 13 HG2 ARG 13 29.659 15.500 34.877 99 HG3 ARG 13 HG3 ARG 13 30.468 17.067 34.729 100 HD2 ARG 13 HD2 ARG 13 27.576 16.593 35.567 101 HD3 ARG 13 HD3 ARG 13 28.921 17.020 36.641 102 HE ARG 13 HE ARG 13 28.875 19.040 34.705 103 HH11 ARG 13 HH11 ARG 13 26.701 18.121 37.337 104 HH12 ARG 13 HH12 ARG 13 25.784 19.619 37.085 105 HH21 ARG 13 HH21 ARG 13 27.754 20.866 34.655 106 HH22 ARG 13 HH22 ARG 13 26.370 21.085 35.733 107 H SER 14 H SER 14 28.798 14.193 31.038 108 HA SER 14 HA SER 14 30.035 12.036 32.534 109 HB2 SER 14 HB2 SER 14 28.410 11.958 29.964 110 HB3 SER 14 HB3 SER 14 28.813 10.566 30.993 111 HG SER 14 HG SER 14 27.740 11.634 32.718 112 H LEU 15 H LEU 15 31.098 13.822 29.786 113 HA LEU 15 HA LEU 15 32.933 11.692 28.825 114 HB2 LEU 15 HB2 LEU 15 32.716 14.505 27.754 115 HB3 LEU 15 HB3 LEU 15 33.271 13.055 26.925 116 HG LEU 15 HG LEU 15 30.398 13.742 27.663 117 HD11 LEU 15 HD11 LEU 15 31.378 15.108 25.841 118 HD12 LEU 15 HD12 LEU 15 31.759 13.616 24.958 119 HD13 LEU 15 HD13 LEU 15 30.069 14.051 25.279 120 HD21 LEU 15 HD21 LEU 15 29.748 11.817 26.293 121 HD22 LEU 15 HD22 LEU 15 31.453 11.405 26.025 122 HD23 LEU 15 HD23 LEU 15 30.748 11.285 27.652 123 H GLY 16 H GLY 16 32.939 14.615 30.740 124 HA2 GLY 16 HA2 GLY 16 34.711 15.080 32.296 125 HA3 GLY 16 HA3 GLY 16 35.903 14.454 31.164 126 H LEU 17 H LEU 17 33.490 16.456 29.705 127 HA LEU 17 HA LEU 17 35.254 18.845 29.711 128 HB2 LEU 17 HB2 LEU 17 34.703 18.926 27.171 129 HB3 LEU 17 HB3 LEU 17 36.084 18.034 27.763 130 HG LEU 17 HG LEU 17 33.496 16.590 27.266 131 HD11 LEU 17 HD11 LEU 17 35.541 17.299 25.134 132 HD12 LEU 17 HD12 LEU 17 34.122 16.245 24.923 133 HD13 LEU 17 HD13 LEU 17 33.910 17.974 25.267 134 HD21 LEU 17 HD21 LEU 17 36.437 15.838 26.819 135 HD22 LEU 17 HD22 LEU 17 35.486 15.325 28.209 136 HD23 LEU 17 HD23 LEU 17 35.053 14.753 26.589 137 H LEU 18 H LEU 18 34.145 20.632 28.392 138 HA LEU 18 HA LEU 18 31.371 20.986 29.438 139 HB2 LEU 18 HB2 LEU 18 33.484 22.918 28.457 140 HB3 LEU 18 HB3 LEU 18 31.861 23.427 28.879 141 HG LEU 18 HG LEU 18 33.679 22.007 30.861 142 HD11 LEU 18 HD11 LEU 18 33.270 25.000 30.480 143 HD12 LEU 18 HD12 LEU 18 34.184 24.226 31.796 144 HD13 LEU 18 HD13 LEU 18 34.762 24.107 30.127 145 HD21 LEU 18 HD21 LEU 18 31.170 23.712 31.148 146 HD22 LEU 18 HD22 LEU 18 31.317 21.967 31.481 147 HD23 LEU 18 HD23 LEU 18 32.175 23.137 32.489 148 H GLY 19 H GLY 19 29.884 22.172 28.146 149 HA2 GLY 19 HA2 GLY 19 29.797 21.410 25.271 150 HA3 GLY 19 HA3 GLY 19 28.511 22.159 26.203 151 H LYS 20 H LYS 20 29.670 22.988 23.579 152 HA LYS 20 HA LYS 20 30.055 25.861 24.226 153 HB2 LYS 20 HB2 LYS 20 32.259 25.011 23.893 154 HB3 LYS 20 HB3 LYS 20 31.795 24.071 22.482 155 HG2 LYS 20 HG2 LYS 20 31.324 27.025 22.310 156 HG3 LYS 20 HG3 LYS 20 33.003 26.517 22.407 157 HD2 LYS 20 HD2 LYS 20 32.879 25.189 20.450 158 HD3 LYS 20 HD3 LYS 20 31.102 25.258 20.387 159 HE2 LYS 20 HE2 LYS 20 31.040 27.464 19.708 160 HE3 LYS 20 HE3 LYS 20 32.616 27.851 20.408 161 HZ1 LYS 20 HZ1 LYS 20 33.708 26.746 18.653 162 HZ2 LYS 20 HZ2 LYS 20 32.345 26.122 18.010 163 HZ3 LYS 20 HZ3 LYS 20 32.599 27.757 17.954 164 H CYS 21 H CYS 21 28.933 27.192 22.934 165 HA CYS 21 HA CYS 21 26.818 25.970 21.306 166 HB2 CYS 21 HB2 CYS 21 26.359 27.600 23.085 167 HB3 CYS 21 HB3 CYS 21 27.337 28.801 22.258 168 H ILE 22 H ILE 22 26.622 26.071 19.107 169 HA ILE 22 HA ILE 22 27.851 28.165 17.506 170 HB ILE 22 HB ILE 22 29.755 26.689 17.668 171 HG12 ILE 22 HG12 ILE 22 28.463 26.379 14.916 172 HG13 ILE 22 HG13 ILE 22 29.205 27.861 15.523 173 HG21 ILE 22 HG21 ILE 22 29.785 24.368 16.953 174 HG22 ILE 22 HG22 ILE 22 28.543 24.542 18.185 175 HG23 ILE 22 HG23 ILE 22 28.083 24.436 16.475 176 HD11 ILE 22 HD11 ILE 22 31.371 26.651 15.762 177 HD12 ILE 22 HD12 ILE 22 30.615 25.221 15.015 178 HD13 ILE 22 HD13 ILE 22 30.772 26.722 14.092 179 H GLY 23 H GLY 23 26.613 28.621 15.766 180 HA2 GLY 23 HA2 GLY 23 24.898 28.530 14.229 181 HA3 GLY 23 HA3 GLY 23 25.374 26.848 14.048 182 H GLU 24 H GLU 24 23.710 28.662 16.665 183 HA GLU 24 HA GLU 24 21.906 28.280 17.938 184 HB2 GLU 24 HB2 GLU 24 20.753 27.116 15.380 185 HB3 GLU 24 HB3 GLU 24 19.841 27.346 16.856 186 HG2 GLU 24 HG2 GLU 24 20.471 29.794 16.820 187 HG3 GLU 24 HG3 GLU 24 21.145 29.532 15.206 188 H GLU 25 H GLU 25 23.958 25.913 17.493 189 HA GLU 25 HA GLU 25 22.422 23.868 19.032 190 HB2 GLU 25 HB2 GLU 25 22.802 23.394 16.580 191 HB3 GLU 25 HB3 GLU 25 24.530 23.431 16.871 192 HG2 GLU 25 HG2 GLU 25 23.488 21.158 16.675 193 HG3 GLU 25 HG3 GLU 25 24.465 21.408 18.115 194 H CYS 26 H CYS 26 24.126 22.215 20.032 195 HA CYS 26 HA CYS 26 26.581 23.619 20.935 196 HB2 CYS 26 HB2 CYS 26 24.944 24.006 22.645 197 HB3 CYS 26 HB3 CYS 26 24.529 22.299 22.722 198 H GLU 27 H GLU 27 28.367 22.414 21.226 199 HA GLU 27 HA GLU 27 28.254 19.449 21.015 200 HB2 GLU 27 HB2 GLU 27 30.167 19.434 19.502 201 HB3 GLU 27 HB3 GLU 27 28.739 20.161 18.796 202 HG2 GLU 27 HG2 GLU 27 29.763 22.452 19.310 203 HG3 GLU 27 HG3 GLU 27 31.232 21.603 19.788 204 H CYS 28 H CYS 28 29.857 18.331 22.204 205 HA CYS 28 HA CYS 28 31.020 19.919 24.371 206 HB2 CYS 28 HB2 CYS 28 31.491 16.991 23.825 207 HB3 CYS 28 HB3 CYS 28 31.712 17.863 25.327 208 H VAL 29 H VAL 29 33.109 20.537 24.617 209 HA VAL 29 HA VAL 29 35.100 19.714 22.554 210 HB VAL 29 HB VAL 29 35.841 21.960 22.235 211 HG11 VAL 29 HG11 VAL 29 32.840 21.916 21.781 212 HG12 VAL 29 HG12 VAL 29 34.057 22.848 20.891 213 HG13 VAL 29 HG13 VAL 29 34.030 21.079 20.767 214 HG21 VAL 29 HG21 VAL 29 34.548 23.929 23.005 215 HG22 VAL 29 HG22 VAL 29 33.582 22.869 24.053 216 HG23 VAL 29 HG23 VAL 29 35.324 23.071 24.337 217 HA PRO 30 HA PRO 30 37.813 19.572 26.111 218 HB2 PRO 30 HB2 PRO 30 40.269 19.424 24.937 219 HB3 PRO 30 HB3 PRO 30 39.065 18.090 24.835 220 HG2 PRO 30 HG2 PRO 30 39.642 20.244 22.785 221 HG3 PRO 30 HG3 PRO 30 39.504 18.485 22.523 222 HD2 PRO 30 HD2 PRO 30 37.418 20.212 22.088 223 HD3 PRO 30 HD3 PRO 30 37.166 18.542 22.680 224 H TYR 31 H TYR 31 37.704 22.239 23.941 225 HA TYR 31 HA TYR 31 39.904 23.791 24.861 226 HB2 TYR 31 HB2 TYR 31 37.510 24.966 23.484 227 HB3 TYR 31 HB3 TYR 31 39.197 25.425 23.358 228 HD1 TYR 31 HD1 TYR 31 36.691 24.343 21.452 229 HD2 TYR 31 HD2 TYR 31 40.621 22.997 22.594 230 HE1 TYR 31 HE1 TYR 31 36.778 22.924 19.436 231 HE2 TYR 31 HE2 TYR 31 40.717 21.568 20.549 232 HH TYR 31 HH TYR 31 38.255 21.750 18.048 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 15.514 23.652 15.506 2 H2 ALA 1 H2 ALA 1 17.071 24.224 15.507 3 H3 ALA 1 H3 ALA 1 15.843 25.284 15.548 4 HA ALA 1 HA ALA 1 15.173 24.613 17.683 5 HB1 ALA 1 HB1 ALA 1 17.445 22.598 17.449 6 HB2 ALA 1 HB2 ALA 1 16.543 22.965 18.942 7 HB3 ALA 1 HB3 ALA 1 15.706 22.258 17.565 8 H PHE 2 H PHE 2 16.422 25.116 19.780 9 HA PHE 2 HA PHE 2 18.217 27.411 19.169 10 HB2 PHE 2 HB2 PHE 2 16.245 27.022 21.430 11 HB3 PHE 2 HB3 PHE 2 17.241 28.444 21.149 12 HD1 PHE 2 HD1 PHE 2 13.982 27.342 20.828 13 HD2 PHE 2 HD2 PHE 2 17.061 29.240 18.477 14 HE1 PHE 2 HE1 PHE 2 12.249 28.397 19.391 15 HE2 PHE 2 HE2 PHE 2 15.349 30.272 17.046 16 HZ PHE 2 HZ PHE 2 12.920 29.883 17.509 17 H CYS 3 H CYS 3 19.902 27.955 20.623 18 HA CYS 3 HA CYS 3 21.376 25.867 21.882 19 HB2 CYS 3 HB2 CYS 3 22.479 27.879 21.164 20 HB3 CYS 3 HB3 CYS 3 21.391 28.878 22.125 21 H ASN 4 H ASN 4 21.124 24.856 23.712 22 HA ASN 4 HA ASN 4 19.735 26.074 26.076 23 HB2 ASN 4 HB2 ASN 4 19.536 23.322 24.820 24 HB3 ASN 4 HB3 ASN 4 19.222 23.571 26.530 25 HD21 ASN 4 HD21 ASN 4 16.460 25.187 23.988 26 HD22 ASN 4 HD22 ASN 4 18.092 24.989 23.353 27 H LEU 5 H LEU 5 22.044 26.842 26.344 28 HA LEU 5 HA LEU 5 24.270 25.177 26.390 29 HB2 LEU 5 HB2 LEU 5 24.340 27.615 26.251 30 HB3 LEU 5 HB3 LEU 5 23.731 27.757 27.900 31 HG LEU 5 HG LEU 5 25.787 26.702 28.773 32 HD11 LEU 5 HD11 LEU 5 27.755 26.431 27.242 33 HD12 LEU 5 HD12 LEU 5 26.474 25.270 26.902 34 HD13 LEU 5 HD13 LEU 5 26.669 26.700 25.856 35 HD21 LEU 5 HD21 LEU 5 26.395 28.977 26.856 36 HD22 LEU 5 HD22 LEU 5 25.645 29.167 28.453 37 HD23 LEU 5 HD23 LEU 5 27.307 28.553 28.305 38 H ARG 6 H ARG 6 22.085 25.900 29.118 39 HA ARG 6 HA ARG 6 23.590 24.706 31.236 40 HB2 ARG 6 HB2 ARG 6 20.597 24.984 30.752 41 HB3 ARG 6 HB3 ARG 6 21.276 24.387 32.284 42 HG2 ARG 6 HG2 ARG 6 22.517 26.518 32.555 43 HG3 ARG 6 HG3 ARG 6 21.790 27.134 31.083 44 HD2 ARG 6 HD2 ARG 6 20.297 26.324 33.603 45 HD3 ARG 6 HD3 ARG 6 20.654 27.969 33.098 46 HE ARG 6 HE ARG 6 18.882 26.096 31.536 47 HH11 ARG 6 HH11 ARG 6 19.362 29.416 32.725 48 HH12 ARG 6 HH12 ARG 6 17.751 29.848 32.150 49 HH21 ARG 6 HH21 ARG 6 16.899 26.830 30.931 50 HH22 ARG 6 HH22 ARG 6 16.567 28.543 30.980 51 H ARG 7 H ARG 7 21.290 23.234 29.004 52 HA ARG 7 HA ARG 7 21.475 20.512 30.112 53 HB2 ARG 7 HB2 ARG 7 20.259 21.726 27.591 54 HB3 ARG 7 HB3 ARG 7 20.182 20.005 27.955 55 HG2 ARG 7 HG2 ARG 7 18.762 20.288 29.785 56 HG3 ARG 7 HG3 ARG 7 19.174 21.987 30.020 57 HD2 ARG 7 HD2 ARG 7 16.865 21.621 29.095 58 HD3 ARG 7 HD3 ARG 7 17.886 22.685 28.150 59 HE ARG 7 HE ARG 7 17.953 21.152 26.382 60 HH11 ARG 7 HH11 ARG 7 16.257 19.478 29.055 61 HH12 ARG 7 HH12 ARG 7 15.939 18.141 27.945 62 HH21 ARG 7 HH21 ARG 7 17.465 19.477 25.246 63 HH22 ARG 7 HH22 ARG 7 16.493 18.158 25.929 64 H CYS 8 H CYS 8 22.855 22.258 27.337 65 HA CYS 8 HA CYS 8 24.224 20.122 26.088 66 HB2 CYS 8 HB2 CYS 8 23.948 22.255 25.016 67 HB3 CYS 8 HB3 CYS 8 24.783 23.085 26.315 68 H GLU 9 H GLU 9 25.428 22.351 28.651 69 HA GLU 9 HA GLU 9 28.045 21.354 28.937 70 HB2 GLU 9 HB2 GLU 9 26.033 22.664 30.789 71 HB3 GLU 9 HB3 GLU 9 27.601 22.196 31.403 72 HG2 GLU 9 HG2 GLU 9 27.567 23.770 28.826 73 HG3 GLU 9 HG3 GLU 9 27.132 24.609 30.313 74 H LEU 10 H LEU 10 25.058 20.050 30.422 75 HA LEU 10 HA LEU 10 26.375 18.076 32.051 76 HB2 LEU 10 HB2 LEU 10 23.583 17.964 30.871 77 HB3 LEU 10 HB3 LEU 10 24.174 17.061 32.274 78 HG LEU 10 HG LEU 10 23.837 20.071 32.109 79 HD11 LEU 10 HD11 LEU 10 21.687 18.878 32.088 80 HD12 LEU 10 HD12 LEU 10 22.171 17.978 33.546 81 HD13 LEU 10 HD13 LEU 10 21.940 19.740 33.616 82 HD21 LEU 10 HD21 LEU 10 24.473 18.305 34.480 83 HD22 LEU 10 HD22 LEU 10 25.600 19.462 33.727 84 HD23 LEU 10 HD23 LEU 10 24.150 20.048 34.559 85 H SER 11 H SER 11 25.152 18.054 28.704 86 HA SER 11 HA SER 11 25.530 15.240 28.281 87 HB2 SER 11 HB2 SER 11 25.118 15.587 26.034 88 HB3 SER 11 HB3 SER 11 24.188 16.861 26.832 89 HG SER 11 HG SER 11 25.985 18.292 26.328 90 H CYS 12 H CYS 12 27.772 17.972 27.905 91 HA CYS 12 HA CYS 12 30.004 16.337 27.038 92 HB2 CYS 12 HB2 CYS 12 29.974 19.108 28.278 93 HB3 CYS 12 HB3 CYS 12 31.291 18.376 27.352 94 H ARG 13 H ARG 13 28.865 17.461 30.224 95 HA ARG 13 HA ARG 13 30.984 16.392 31.821 96 HB2 ARG 13 HB2 ARG 13 29.087 18.030 32.403 97 HB3 ARG 13 HB3 ARG 13 28.078 16.612 32.676 98 HG2 ARG 13 HG2 ARG 13 29.614 15.845 34.449 99 HG3 ARG 13 HG3 ARG 13 30.736 17.166 34.053 100 HD2 ARG 13 HD2 ARG 13 29.536 17.891 35.967 101 HD3 ARG 13 HD3 ARG 13 28.883 18.806 34.606 102 HE ARG 13 HE ARG 13 27.324 16.409 35.048 103 HH11 ARG 13 HH11 ARG 13 27.757 19.582 36.555 104 HH12 ARG 13 HH12 ARG 13 26.242 19.357 37.448 105 HH21 ARG 13 HH21 ARG 13 25.481 16.357 36.102 106 HH22 ARG 13 HH22 ARG 13 25.039 17.673 37.221 107 H SER 14 H SER 14 28.557 14.664 30.064 108 HA SER 14 HA SER 14 28.697 12.152 31.504 109 HB2 SER 14 HB2 SER 14 26.991 12.634 29.754 110 HB3 SER 14 HB3 SER 14 28.283 12.636 28.530 111 HG SER 14 HG SER 14 27.186 10.530 30.005 112 H LEU 15 H LEU 15 30.621 13.574 28.871 113 HA LEU 15 HA LEU 15 32.553 11.362 28.689 114 HB2 LEU 15 HB2 LEU 15 32.858 14.179 27.602 115 HB3 LEU 15 HB3 LEU 15 33.606 12.707 27.026 116 HG LEU 15 HG LEU 15 30.689 13.530 26.749 117 HD11 LEU 15 HD11 LEU 15 31.256 13.717 24.357 118 HD12 LEU 15 HD12 LEU 15 32.253 14.793 25.334 119 HD13 LEU 15 HD13 LEU 15 32.941 13.280 24.695 120 HD21 LEU 15 HD21 LEU 15 30.491 11.556 25.232 121 HD22 LEU 15 HD22 LEU 15 32.145 11.057 25.645 122 HD23 LEU 15 HD23 LEU 15 30.864 11.050 26.878 123 H GLY 16 H GLY 16 32.321 14.517 30.264 124 HA2 GLY 16 HA2 GLY 16 33.530 15.060 32.268 125 HA3 GLY 16 HA3 GLY 16 34.881 14.059 31.744 126 H LEU 17 H LEU 17 33.283 16.250 29.460 127 HA LEU 17 HA LEU 17 35.409 18.306 29.852 128 HB2 LEU 17 HB2 LEU 17 35.121 18.661 27.282 129 HB3 LEU 17 HB3 LEU 17 36.327 17.569 27.946 130 HG LEU 17 HG LEU 17 33.653 16.501 27.046 131 HD11 LEU 17 HD11 LEU 17 36.047 17.023 25.242 132 HD12 LEU 17 HD12 LEU 17 34.540 16.204 24.781 133 HD13 LEU 17 HD13 LEU 17 34.529 17.929 25.208 134 HD21 LEU 17 HD21 LEU 17 35.252 14.893 28.133 135 HD22 LEU 17 HD22 LEU 17 35.092 14.528 26.406 136 HD23 LEU 17 HD23 LEU 17 36.513 15.390 26.999 137 H LEU 18 H LEU 18 34.755 20.342 28.522 138 HA LEU 18 HA LEU 18 32.106 21.201 29.599 139 HB2 LEU 18 HB2 LEU 18 34.437 22.770 28.427 140 HB3 LEU 18 HB3 LEU 18 32.965 23.487 29.004 141 HG LEU 18 HG LEU 18 34.811 21.810 30.742 142 HD11 LEU 18 HD11 LEU 18 34.560 24.857 30.524 143 HD12 LEU 18 HD12 LEU 18 35.576 23.956 31.682 144 HD13 LEU 18 HD13 LEU 18 35.932 23.864 29.961 145 HD21 LEU 18 HD21 LEU 18 33.604 22.937 32.616 146 HD22 LEU 18 HD22 LEU 18 32.477 23.675 31.446 147 HD23 LEU 18 HD23 LEU 18 32.553 21.913 31.661 148 H GLY 19 H GLY 19 30.783 22.556 28.369 149 HA2 GLY 19 HA2 GLY 19 30.682 21.947 25.429 150 HA3 GLY 19 HA3 GLY 19 29.248 21.942 26.449 151 H LYS 20 H LYS 20 29.767 23.420 24.029 152 HA LYS 20 HA LYS 20 28.606 25.915 24.955 153 HB2 LYS 20 HB2 LYS 20 29.977 27.482 24.018 154 HB3 LYS 20 HB3 LYS 20 31.111 26.396 24.793 155 HG2 LYS 20 HG2 LYS 20 30.471 26.570 21.804 156 HG3 LYS 20 HG3 LYS 20 31.887 27.220 22.633 157 HD2 LYS 20 HD2 LYS 20 32.649 24.945 23.211 158 HD3 LYS 20 HD3 LYS 20 31.205 24.267 22.450 159 HE2 LYS 20 HE2 LYS 20 33.047 24.044 20.924 160 HE3 LYS 20 HE3 LYS 20 31.857 25.163 20.264 161 HZ1 LYS 20 HZ1 LYS 20 34.285 26.085 21.711 162 HZ2 LYS 20 HZ2 LYS 20 34.236 25.832 20.086 163 HZ3 LYS 20 HZ3 LYS 20 33.284 26.994 20.794 164 H CYS 21 H CYS 21 27.605 27.203 23.155 165 HA CYS 21 HA CYS 21 26.333 25.293 21.294 166 HB2 CYS 21 HB2 CYS 21 25.738 28.149 22.088 167 HB3 CYS 21 HB3 CYS 21 24.834 27.257 20.883 168 H ILE 22 H ILE 22 26.883 25.065 19.244 169 HA ILE 22 HA ILE 22 28.032 27.343 17.664 170 HB ILE 22 HB ILE 22 28.565 24.359 17.374 171 HG12 ILE 22 HG12 ILE 22 29.882 25.295 19.211 172 HG13 ILE 22 HG13 ILE 22 30.884 24.796 17.861 173 HG21 ILE 22 HG21 ILE 22 28.446 25.300 15.158 174 HG22 ILE 22 HG22 ILE 22 29.454 26.687 15.618 175 HG23 ILE 22 HG23 ILE 22 30.144 25.052 15.547 176 HD11 ILE 22 HD11 ILE 22 30.153 27.671 18.554 177 HD12 ILE 22 HD12 ILE 22 31.713 26.881 18.807 178 HD13 ILE 22 HD13 ILE 22 31.145 27.176 17.163 179 H GLY 23 H GLY 23 26.551 28.048 16.181 180 HA2 GLY 23 HA2 GLY 23 24.745 28.076 14.763 181 HA3 GLY 23 HA3 GLY 23 25.064 26.374 14.425 182 H GLU 24 H GLU 24 24.097 27.958 17.482 183 HA GLU 24 HA GLU 24 22.584 27.507 19.044 184 HB2 GLU 24 HB2 GLU 24 20.719 27.045 16.703 185 HB3 GLU 24 HB3 GLU 24 20.213 27.256 18.364 186 HG2 GLU 24 HG2 GLU 24 21.792 29.353 16.829 187 HG3 GLU 24 HG3 GLU 24 20.043 29.296 16.913 188 H GLU 25 H GLU 25 24.211 25.184 18.068 189 HA GLU 25 HA GLU 25 22.609 23.042 19.381 190 HB2 GLU 25 HB2 GLU 25 22.503 22.848 16.924 191 HB3 GLU 25 HB3 GLU 25 24.239 22.847 16.813 192 HG2 GLU 25 HG2 GLU 25 23.222 20.579 16.586 193 HG3 GLU 25 HG3 GLU 25 24.405 20.700 17.892 194 H CYS 26 H CYS 26 23.814 21.369 20.438 195 HA CYS 26 HA CYS 26 25.981 22.542 21.903 196 HB2 CYS 26 HB2 CYS 26 24.183 21.164 22.886 197 HB3 CYS 26 HB3 CYS 26 24.796 19.764 22.004 198 H GLU 27 H GLU 27 28.100 22.432 21.636 199 HA GLU 27 HA GLU 27 29.356 19.983 20.513 200 HB2 GLU 27 HB2 GLU 27 30.117 22.887 20.085 201 HB3 GLU 27 HB3 GLU 27 31.274 21.570 19.860 202 HG2 GLU 27 HG2 GLU 27 28.645 21.866 18.336 203 HG3 GLU 27 HG3 GLU 27 30.234 22.353 17.749 204 H CYS 28 H CYS 28 30.826 19.019 21.777 205 HA CYS 28 HA CYS 28 31.702 20.352 24.287 206 HB2 CYS 28 HB2 CYS 28 32.192 17.502 23.436 207 HB3 CYS 28 HB3 CYS 28 32.336 18.218 25.057 208 H VAL 29 H VAL 29 33.894 20.600 24.839 209 HA VAL 29 HA VAL 29 35.809 20.395 22.542 210 HB VAL 29 HB VAL 29 36.870 22.489 23.258 211 HG11 VAL 29 HG11 VAL 29 33.921 22.767 22.505 212 HG12 VAL 29 HG12 VAL 29 35.231 23.941 22.217 213 HG13 VAL 29 HG13 VAL 29 35.254 22.389 21.389 214 HG21 VAL 29 HG21 VAL 29 34.392 22.881 25.025 215 HG22 VAL 29 HG22 VAL 29 36.070 22.683 25.584 216 HG23 VAL 29 HG23 VAL 29 35.627 24.098 24.644 217 HA PRO 30 HA PRO 30 38.294 18.103 25.294 218 HB2 PRO 30 HB2 PRO 30 40.705 18.000 23.969 219 HB3 PRO 30 HB3 PRO 30 39.182 17.303 23.298 220 HG2 PRO 30 HG2 PRO 30 40.344 20.000 22.689 221 HG3 PRO 30 HG3 PRO 30 39.853 18.727 21.485 222 HD2 PRO 30 HD2 PRO 30 38.199 20.811 22.205 223 HD3 PRO 30 HD3 PRO 30 37.589 19.171 21.935 224 H TYR 31 H TYR 31 38.863 21.438 25.066 225 HA TYR 31 HA TYR 31 41.400 21.656 26.426 226 HB2 TYR 31 HB2 TYR 31 39.312 23.827 26.209 227 HB3 TYR 31 HB3 TYR 31 41.064 23.989 26.267 228 HD1 TYR 31 HD1 TYR 31 42.177 22.389 24.183 229 HD2 TYR 31 HD2 TYR 31 38.413 24.483 24.182 230 HE1 TYR 31 HE1 TYR 31 42.115 22.280 21.698 231 HE2 TYR 31 HE2 TYR 31 38.368 24.386 21.696 232 HH TYR 31 HH TYR 31 40.521 22.386 19.845 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 15.443 29.758 15.963 2 H2 ALA 1 H2 ALA 1 17.078 29.930 16.214 3 H3 ALA 1 H3 ALA 1 15.999 30.708 17.181 4 HA ALA 1 HA ALA 1 15.127 28.599 17.945 5 HB1 ALA 1 HB1 ALA 1 16.405 26.556 17.538 6 HB2 ALA 1 HB2 ALA 1 15.895 27.249 15.988 7 HB3 ALA 1 HB3 ALA 1 17.574 27.437 16.536 8 H PHE 2 H PHE 2 15.851 27.824 19.960 9 HA PHE 2 HA PHE 2 17.889 29.564 21.225 10 HB2 PHE 2 HB2 PHE 2 15.942 27.525 22.335 11 HB3 PHE 2 HB3 PHE 2 17.079 28.433 23.294 12 HD1 PHE 2 HD1 PHE 2 13.893 28.589 21.501 13 HD2 PHE 2 HD2 PHE 2 16.982 30.929 23.412 14 HE1 PHE 2 HE1 PHE 2 12.368 30.560 21.538 15 HE2 PHE 2 HE2 PHE 2 15.480 32.906 23.438 16 HZ PHE 2 HZ PHE 2 13.170 32.714 22.500 17 H CYS 3 H CYS 3 19.873 28.911 22.014 18 HA CYS 3 HA CYS 3 20.778 26.127 21.549 19 HB2 CYS 3 HB2 CYS 3 22.001 28.267 20.813 20 HB3 CYS 3 HB3 CYS 3 22.412 28.498 22.511 21 H ASN 4 H ASN 4 20.561 24.689 23.223 22 HA ASN 4 HA ASN 4 20.064 25.693 25.964 23 HB2 ASN 4 HB2 ASN 4 19.611 23.020 24.603 24 HB3 ASN 4 HB3 ASN 4 19.500 23.244 26.349 25 HD21 ASN 4 HD21 ASN 4 16.459 24.724 24.088 26 HD22 ASN 4 HD22 ASN 4 17.934 24.208 23.272 27 H LEU 5 H LEU 5 22.465 26.405 25.746 28 HA LEU 5 HA LEU 5 24.615 24.566 25.911 29 HB2 LEU 5 HB2 LEU 5 24.943 26.926 25.436 30 HB3 LEU 5 HB3 LEU 5 24.272 27.378 27.006 31 HG LEU 5 HG LEU 5 26.191 26.335 28.164 32 HD11 LEU 5 HD11 LEU 5 27.263 25.812 25.357 33 HD12 LEU 5 HD12 LEU 5 28.197 25.671 26.862 34 HD13 LEU 5 HD13 LEU 5 26.842 24.582 26.577 35 HD21 LEU 5 HD21 LEU 5 27.042 28.265 25.977 36 HD22 LEU 5 HD22 LEU 5 26.301 28.709 27.529 37 HD23 LEU 5 HD23 LEU 5 27.902 27.953 27.504 38 H ARG 6 H ARG 6 22.536 25.871 28.503 39 HA ARG 6 HA ARG 6 24.081 24.780 30.702 40 HB2 ARG 6 HB2 ARG 6 21.193 25.732 30.510 41 HB3 ARG 6 HB3 ARG 6 22.007 25.343 32.027 42 HG2 ARG 6 HG2 ARG 6 23.603 27.131 31.723 43 HG3 ARG 6 HG3 ARG 6 23.042 27.473 30.088 44 HD2 ARG 6 HD2 ARG 6 21.346 27.828 32.594 45 HD3 ARG 6 HD3 ARG 6 22.271 29.102 31.778 46 HE ARG 6 HE ARG 6 20.500 27.774 29.930 47 HH11 ARG 6 HH11 ARG 6 20.599 30.419 32.245 48 HH12 ARG 6 HH12 ARG 6 19.100 31.104 31.635 49 HH21 ARG 6 HH21 ARG 6 18.669 28.747 29.184 50 HH22 ARG 6 HH22 ARG 6 18.139 30.274 29.848 51 H ARG 7 H ARG 7 21.368 23.431 28.815 52 HA ARG 7 HA ARG 7 21.294 20.927 30.312 53 HB2 ARG 7 HB2 ARG 7 19.495 22.035 28.731 54 HB3 ARG 7 HB3 ARG 7 20.423 21.319 27.426 55 HG2 ARG 7 HG2 ARG 7 18.722 19.773 27.830 56 HG3 ARG 7 HG3 ARG 7 20.111 19.063 28.651 57 HD2 ARG 7 HD2 ARG 7 18.193 18.819 30.082 58 HD3 ARG 7 HD3 ARG 7 19.237 20.045 30.815 59 HE ARG 7 HE ARG 7 17.283 21.284 29.068 60 HH11 ARG 7 HH11 ARG 7 17.313 19.753 32.238 61 HH12 ARG 7 HH12 ARG 7 16.325 21.019 32.916 62 HH21 ARG 7 HH21 ARG 7 15.863 22.641 29.913 63 HH22 ARG 7 HH22 ARG 7 15.419 22.531 31.614 64 H CYS 8 H CYS 8 22.878 22.000 27.318 65 HA CYS 8 HA CYS 8 23.952 19.577 26.389 66 HB2 CYS 8 HB2 CYS 8 23.839 21.616 25.081 67 HB3 CYS 8 HB3 CYS 8 24.882 22.448 26.220 68 H GLU 9 H GLU 9 25.563 21.961 28.608 69 HA GLU 9 HA GLU 9 28.031 20.610 28.683 70 HB2 GLU 9 HB2 GLU 9 28.589 21.974 30.543 71 HB3 GLU 9 HB3 GLU 9 27.622 22.930 29.417 72 HG2 GLU 9 HG2 GLU 9 25.645 22.634 30.862 73 HG3 GLU 9 HG3 GLU 9 26.597 21.674 32.000 74 H LEU 10 H LEU 10 25.115 19.711 30.322 75 HA LEU 10 HA LEU 10 26.271 17.897 32.279 76 HB2 LEU 10 HB2 LEU 10 23.453 17.878 31.137 77 HB3 LEU 10 HB3 LEU 10 23.993 17.235 32.681 78 HG LEU 10 HG LEU 10 23.879 20.177 31.904 79 HD11 LEU 10 HD11 LEU 10 22.058 20.321 33.526 80 HD12 LEU 10 HD12 LEU 10 21.667 19.135 32.273 81 HD13 LEU 10 HD13 LEU 10 22.199 18.583 33.879 82 HD21 LEU 10 HD21 LEU 10 24.388 20.614 34.290 83 HD22 LEU 10 HD22 LEU 10 24.595 18.873 34.564 84 HD23 LEU 10 HD23 LEU 10 25.717 19.765 33.511 85 H SER 11 H SER 11 25.196 17.589 28.924 86 HA SER 11 HA SER 11 25.411 14.663 28.798 87 HB2 SER 11 HB2 SER 11 24.079 15.779 27.131 88 HB3 SER 11 HB3 SER 11 25.414 16.842 26.673 89 HG SER 11 HG SER 11 25.324 14.009 26.326 90 H CYS 12 H CYS 12 27.572 17.423 27.996 91 HA CYS 12 HA CYS 12 29.854 15.858 27.347 92 HB2 CYS 12 HB2 CYS 12 29.704 18.698 28.444 93 HB3 CYS 12 HB3 CYS 12 31.045 17.978 27.511 94 H ARG 13 H ARG 13 28.700 16.985 30.516 95 HA ARG 13 HA ARG 13 30.998 16.571 32.085 96 HB2 ARG 13 HB2 ARG 13 28.823 17.644 32.740 97 HB3 ARG 13 HB3 ARG 13 28.097 16.058 32.892 98 HG2 ARG 13 HG2 ARG 13 29.383 15.497 34.766 99 HG3 ARG 13 HG3 ARG 13 30.610 16.744 34.456 100 HD2 ARG 13 HD2 ARG 13 27.730 17.453 35.072 101 HD3 ARG 13 HD3 ARG 13 28.902 17.162 36.369 102 HE ARG 13 HE ARG 13 30.234 18.981 34.876 103 HH11 ARG 13 HH11 ARG 13 26.941 19.197 36.128 104 HH12 ARG 13 HH12 ARG 13 26.978 20.944 36.064 105 HH21 ARG 13 HH21 ARG 13 30.236 21.140 34.929 106 HH22 ARG 13 HH22 ARG 13 28.766 22.011 35.303 107 H SER 14 H SER 14 28.753 14.118 30.887 108 HA SER 14 HA SER 14 29.873 11.898 32.341 109 HB2 SER 14 HB2 SER 14 28.629 10.492 30.888 110 HB3 SER 14 HB3 SER 14 27.626 11.908 31.211 111 HG SER 14 HG SER 14 28.131 12.694 29.139 112 H LEU 15 H LEU 15 30.982 13.514 29.411 113 HA LEU 15 HA LEU 15 33.029 11.479 28.810 114 HB2 LEU 15 HB2 LEU 15 32.917 14.340 27.826 115 HB3 LEU 15 HB3 LEU 15 33.751 12.970 27.097 116 HG LEU 15 HG LEU 15 30.741 13.415 27.202 117 HD11 LEU 15 HD11 LEU 15 30.959 13.770 24.783 118 HD12 LEU 15 HD12 LEU 15 31.943 14.939 25.685 119 HD13 LEU 15 HD13 LEU 15 32.717 13.550 24.891 120 HD21 LEU 15 HD21 LEU 15 30.662 11.498 25.592 121 HD22 LEU 15 HD22 LEU 15 32.389 11.208 25.873 122 HD23 LEU 15 HD23 LEU 15 31.216 10.998 27.196 123 H GLY 16 H GLY 16 32.684 14.448 30.632 124 HA2 GLY 16 HA2 GLY 16 34.117 14.921 32.534 125 HA3 GLY 16 HA3 GLY 16 35.504 14.297 31.637 126 H LEU 17 H LEU 17 33.429 16.235 29.695 127 HA LEU 17 HA LEU 17 35.122 18.665 30.049 128 HB2 LEU 17 HB2 LEU 17 34.899 18.852 27.475 129 HB3 LEU 17 HB3 LEU 17 36.185 17.899 28.190 130 HG LEU 17 HG LEU 17 33.639 16.553 27.278 131 HD11 LEU 17 HD11 LEU 17 34.371 18.021 25.414 132 HD12 LEU 17 HD12 LEU 17 35.987 17.298 25.489 133 HD13 LEU 17 HD13 LEU 17 34.589 16.302 25.028 134 HD21 LEU 17 HD21 LEU 17 36.594 15.744 27.293 135 HD22 LEU 17 HD22 LEU 17 35.373 15.135 28.411 136 HD23 LEU 17 HD23 LEU 17 35.283 14.729 26.689 137 H LEU 18 H LEU 18 34.206 20.513 28.675 138 HA LEU 18 HA LEU 18 31.362 20.885 29.460 139 HB2 LEU 18 HB2 LEU 18 33.701 22.751 28.943 140 HB3 LEU 18 HB3 LEU 18 32.066 23.355 28.907 141 HG LEU 18 HG LEU 18 33.133 23.777 31.031 142 HD11 LEU 18 HD11 LEU 18 30.699 23.577 30.956 143 HD12 LEU 18 HD12 LEU 18 30.810 21.832 31.281 144 HD13 LEU 18 HD13 LEU 18 31.324 22.980 32.499 145 HD21 LEU 18 HD21 LEU 18 33.641 22.120 32.676 146 HD22 LEU 18 HD22 LEU 18 33.103 20.805 31.622 147 HD23 LEU 18 HD23 LEU 18 34.562 21.746 31.207 148 H GLY 19 H GLY 19 30.073 22.350 28.073 149 HA2 GLY 19 HA2 GLY 19 30.116 21.466 25.226 150 HA3 GLY 19 HA3 GLY 19 28.734 22.111 26.091 151 H LYS 20 H LYS 20 29.750 23.016 23.525 152 HA LYS 20 HA LYS 20 30.123 25.915 24.075 153 HB2 LYS 20 HB2 LYS 20 32.295 25.133 23.741 154 HB3 LYS 20 HB3 LYS 20 31.849 23.996 22.475 155 HG2 LYS 20 HG2 LYS 20 31.453 26.920 21.920 156 HG3 LYS 20 HG3 LYS 20 33.103 26.302 22.029 157 HD2 LYS 20 HD2 LYS 20 32.735 24.680 20.259 158 HD3 LYS 20 HD3 LYS 20 31.013 25.066 20.205 159 HE2 LYS 20 HE2 LYS 20 31.986 26.171 18.366 160 HE3 LYS 20 HE3 LYS 20 31.569 27.398 19.570 161 HZ1 LYS 20 HZ1 LYS 20 33.777 27.815 18.648 162 HZ2 LYS 20 HZ2 LYS 20 33.955 27.422 20.222 163 HZ3 LYS 20 HZ3 LYS 20 34.309 26.326 19.049 164 H CYS 21 H CYS 21 28.855 27.188 22.797 165 HA CYS 21 HA CYS 21 26.916 25.784 21.063 166 HB2 CYS 21 HB2 CYS 21 26.107 27.323 22.841 167 HB3 CYS 21 HB3 CYS 21 26.934 28.658 22.013 168 H ILE 22 H ILE 22 26.745 25.961 18.908 169 HA ILE 22 HA ILE 22 27.550 28.308 17.466 170 HB ILE 22 HB ILE 22 29.712 27.217 17.515 171 HG12 ILE 22 HG12 ILE 22 28.557 26.903 14.728 172 HG13 ILE 22 HG13 ILE 22 28.827 28.484 15.495 173 HG21 ILE 22 HG21 ILE 22 28.453 24.813 16.141 174 HG22 ILE 22 HG22 ILE 22 30.167 25.028 16.515 175 HG23 ILE 22 HG23 ILE 22 28.997 24.847 17.828 176 HD11 ILE 22 HD11 ILE 22 31.230 27.876 15.770 177 HD12 ILE 22 HD12 ILE 22 30.939 26.374 14.855 178 HD13 ILE 22 HD13 ILE 22 30.713 27.965 14.087 179 H GLY 23 H GLY 23 26.300 28.566 15.612 180 HA2 GLY 23 HA2 GLY 23 24.731 28.088 14.001 181 HA3 GLY 23 HA3 GLY 23 25.086 26.380 14.170 182 H GLU 24 H GLU 24 23.978 28.269 16.932 183 HA GLU 24 HA GLU 24 22.222 28.078 18.315 184 HB2 GLU 24 HB2 GLU 24 20.462 27.462 15.933 185 HB3 GLU 24 HB3 GLU 24 19.964 28.050 17.522 186 HG2 GLU 24 HG2 GLU 24 21.369 30.102 17.143 187 HG3 GLU 24 HG3 GLU 24 21.691 29.541 15.503 188 H GLU 25 H GLU 25 23.859 25.741 18.028 189 HA GLU 25 HA GLU 25 22.331 24.100 19.824 190 HB2 GLU 25 HB2 GLU 25 22.689 23.122 17.060 191 HB3 GLU 25 HB3 GLU 25 23.467 22.067 18.213 192 HG2 GLU 25 HG2 GLU 25 20.543 22.873 18.217 193 HG3 GLU 25 HG3 GLU 25 21.205 21.308 17.782 194 H CYS 26 H CYS 26 23.859 22.270 20.674 195 HA CYS 26 HA CYS 26 26.575 23.501 21.002 196 HB2 CYS 26 HB2 CYS 26 25.204 24.296 22.740 197 HB3 CYS 26 HB3 CYS 26 24.509 22.716 23.053 198 H GLU 27 H GLU 27 28.295 22.277 21.399 199 HA GLU 27 HA GLU 27 28.104 19.315 21.566 200 HB2 GLU 27 HB2 GLU 27 29.740 20.861 19.515 201 HB3 GLU 27 HB3 GLU 27 29.871 19.136 19.789 202 HG2 GLU 27 HG2 GLU 27 27.343 20.527 18.788 203 HG3 GLU 27 HG3 GLU 27 28.573 19.814 17.769 204 H CYS 28 H CYS 28 30.230 18.329 22.197 205 HA CYS 28 HA CYS 28 31.258 19.921 24.407 206 HB2 CYS 28 HB2 CYS 28 32.062 17.097 23.713 207 HB3 CYS 28 HB3 CYS 28 32.112 17.924 25.283 208 H VAL 29 H VAL 29 33.311 20.516 24.921 209 HA VAL 29 HA VAL 29 35.516 20.138 22.959 210 HB VAL 29 HB VAL 29 36.118 22.542 23.151 211 HG11 VAL 29 HG11 VAL 29 34.965 21.680 21.157 212 HG12 VAL 29 HG12 VAL 29 33.393 22.101 21.884 213 HG13 VAL 29 HG13 VAL 29 34.570 23.371 21.487 214 HG21 VAL 29 HG21 VAL 29 33.336 22.891 24.344 215 HG22 VAL 29 HG22 VAL 29 34.879 23.207 25.163 216 HG23 VAL 29 HG23 VAL 29 34.399 24.190 23.781 217 HA PRO 30 HA PRO 30 37.841 19.579 26.702 218 HB2 PRO 30 HB2 PRO 30 40.417 19.915 25.839 219 HB3 PRO 30 HB3 PRO 30 39.393 18.533 25.331 220 HG2 PRO 30 HG2 PRO 30 39.863 21.147 23.853 221 HG3 PRO 30 HG3 PRO 30 40.037 19.477 23.212 222 HD2 PRO 30 HD2 PRO 30 37.765 20.891 22.821 223 HD3 PRO 30 HD3 PRO 30 37.696 19.145 23.205 224 H TYR 31 H TYR 31 37.468 22.649 25.413 225 HA TYR 31 HA TYR 31 39.528 24.193 26.495 226 HB2 TYR 31 HB2 TYR 31 36.679 25.103 26.033 227 HB3 TYR 31 HB3 TYR 31 38.114 26.110 26.036 228 HD1 TYR 31 HD1 TYR 31 39.801 24.029 24.250 229 HD2 TYR 31 HD2 TYR 31 35.964 25.975 23.909 230 HE1 TYR 31 HE1 TYR 31 39.891 23.785 21.772 231 HE2 TYR 31 HE2 TYR 31 36.064 25.720 21.434 232 HH TYR 31 HH TYR 31 37.136 24.700 19.703 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 19.316 23.696 17.541 2 H2 ALA 1 H2 ALA 1 18.333 23.559 16.226 3 H3 ALA 1 H3 ALA 1 18.571 22.272 17.226 4 HA ALA 1 HA ALA 1 17.199 24.773 17.929 5 HB1 ALA 1 HB1 ALA 1 15.853 23.275 16.458 6 HB2 ALA 1 HB2 ALA 1 16.079 21.947 17.613 7 HB3 ALA 1 HB3 ALA 1 15.162 23.394 18.083 8 H PHE 2 H PHE 2 16.262 24.834 20.062 9 HA PHE 2 HA PHE 2 16.263 24.637 22.295 10 HB2 PHE 2 HB2 PHE 2 16.357 21.686 21.652 11 HB3 PHE 2 HB3 PHE 2 15.886 22.380 23.194 12 HD1 PHE 2 HD1 PHE 2 14.487 20.923 20.412 13 HD2 PHE 2 HD2 PHE 2 14.083 24.483 22.807 14 HE1 PHE 2 HE1 PHE 2 12.139 21.177 19.652 15 HE2 PHE 2 HE2 PHE 2 11.754 24.754 22.024 16 HZ PHE 2 HZ PHE 2 10.757 23.087 20.461 17 H CYS 3 H CYS 3 18.818 25.127 21.223 18 HA CYS 3 HA CYS 3 20.825 23.446 22.396 19 HB2 CYS 3 HB2 CYS 3 20.703 24.600 20.140 20 HB3 CYS 3 HB3 CYS 3 21.069 26.105 20.977 21 H ASN 4 H ASN 4 19.475 24.325 24.603 22 HA ASN 4 HA ASN 4 20.469 26.715 25.815 23 HB2 ASN 4 HB2 ASN 4 19.269 24.211 27.058 24 HB3 ASN 4 HB3 ASN 4 19.455 25.760 27.880 25 HD21 ASN 4 HD21 ASN 4 16.596 27.191 26.336 26 HD22 ASN 4 HD22 ASN 4 18.083 27.534 27.224 27 H LEU 5 H LEU 5 22.381 27.193 26.721 28 HA LEU 5 HA LEU 5 24.661 25.567 26.577 29 HB2 LEU 5 HB2 LEU 5 24.762 27.983 26.629 30 HB3 LEU 5 HB3 LEU 5 23.992 28.052 28.201 31 HG LEU 5 HG LEU 5 25.969 27.033 29.266 32 HD11 LEU 5 HD11 LEU 5 26.870 25.736 27.363 33 HD12 LEU 5 HD12 LEU 5 27.245 27.264 26.514 34 HD13 LEU 5 HD13 LEU 5 28.074 26.840 28.029 35 HD21 LEU 5 HD21 LEU 5 25.779 29.469 29.114 36 HD22 LEU 5 HD22 LEU 5 27.467 28.966 28.989 37 HD23 LEU 5 HD23 LEU 5 26.581 29.461 27.529 38 H ARG 6 H ARG 6 22.664 26.322 29.413 39 HA ARG 6 HA ARG 6 24.273 24.916 31.319 40 HB2 ARG 6 HB2 ARG 6 22.514 25.477 32.866 41 HB3 ARG 6 HB3 ARG 6 22.730 26.822 31.741 42 HG2 ARG 6 HG2 ARG 6 20.739 25.953 30.426 43 HG3 ARG 6 HG3 ARG 6 20.480 24.748 31.688 44 HD2 ARG 6 HD2 ARG 6 20.626 27.739 32.238 45 HD3 ARG 6 HD3 ARG 6 19.122 26.897 31.854 46 HE ARG 6 HE ARG 6 20.078 25.373 33.909 47 HH11 ARG 6 HH11 ARG 6 19.319 28.789 33.673 48 HH12 ARG 6 HH12 ARG 6 18.982 28.869 35.404 49 HH21 ARG 6 HH21 ARG 6 19.533 25.572 35.960 50 HH22 ARG 6 HH22 ARG 6 19.140 27.162 36.650 51 H ARG 7 H ARG 7 22.072 23.671 29.070 52 HA ARG 7 HA ARG 7 21.810 21.009 30.428 53 HB2 ARG 7 HB2 ARG 7 20.460 22.316 28.031 54 HB3 ARG 7 HB3 ARG 7 20.318 20.591 28.369 55 HG2 ARG 7 HG2 ARG 7 19.117 20.916 30.365 56 HG3 ARG 7 HG3 ARG 7 19.592 22.609 30.518 57 HD2 ARG 7 HD2 ARG 7 17.199 22.219 29.834 58 HD3 ARG 7 HD3 ARG 7 18.118 23.324 28.814 59 HE ARG 7 HE ARG 7 18.442 21.384 27.217 60 HH11 ARG 7 HH11 ARG 7 15.355 21.731 28.959 61 HH12 ARG 7 HH12 ARG 7 14.671 20.460 27.950 62 HH21 ARG 7 HH21 ARG 7 17.368 20.214 25.888 63 HH22 ARG 7 HH22 ARG 7 15.642 19.971 26.093 64 H CYS 8 H CYS 8 23.179 22.629 27.586 65 HA CYS 8 HA CYS 8 24.216 20.340 26.235 66 HB2 CYS 8 HB2 CYS 8 23.996 22.431 25.122 67 HB3 CYS 8 HB3 CYS 8 24.942 23.277 26.338 68 H GLU 9 H GLU 9 25.847 22.489 28.673 69 HA GLU 9 HA GLU 9 28.315 21.143 28.644 70 HB2 GLU 9 HB2 GLU 9 28.835 22.264 30.661 71 HB3 GLU 9 HB3 GLU 9 27.815 23.355 29.730 72 HG2 GLU 9 HG2 GLU 9 25.855 22.693 31.121 73 HG3 GLU 9 HG3 GLU 9 26.905 21.640 32.073 74 H LEU 10 H LEU 10 25.369 20.160 30.324 75 HA LEU 10 HA LEU 10 26.591 18.223 32.090 76 HB2 LEU 10 HB2 LEU 10 23.731 18.297 31.068 77 HB3 LEU 10 HB3 LEU 10 24.318 17.519 32.538 78 HG LEU 10 HG LEU 10 24.197 20.507 31.989 79 HD11 LEU 10 HD11 LEU 10 22.424 20.521 33.686 80 HD12 LEU 10 HD12 LEU 10 21.992 19.435 32.354 81 HD13 LEU 10 HD13 LEU 10 22.574 18.759 33.889 82 HD21 LEU 10 HD21 LEU 10 24.793 20.827 34.333 83 HD22 LEU 10 HD22 LEU 10 24.931 19.071 34.570 84 HD23 LEU 10 HD23 LEU 10 26.084 19.935 33.528 85 H SER 11 H SER 11 25.216 18.043 28.829 86 HA SER 11 HA SER 11 25.311 15.158 28.561 87 HB2 SER 11 HB2 SER 11 23.995 16.738 27.138 88 HB3 SER 11 HB3 SER 11 25.492 17.285 26.378 89 HG SER 11 HG SER 11 25.783 15.332 25.476 90 H CYS 12 H CYS 12 27.650 17.768 27.841 91 HA CYS 12 HA CYS 12 29.748 16.011 26.911 92 HB2 CYS 12 HB2 CYS 12 29.862 18.809 28.082 93 HB3 CYS 12 HB3 CYS 12 31.144 18.021 27.164 94 H ARG 13 H ARG 13 28.762 17.100 30.162 95 HA ARG 13 HA ARG 13 31.099 16.336 31.595 96 HB2 ARG 13 HB2 ARG 13 29.090 17.718 32.415 97 HB3 ARG 13 HB3 ARG 13 28.260 16.177 32.674 98 HG2 ARG 13 HG2 ARG 13 30.062 15.469 34.244 99 HG3 ARG 13 HG3 ARG 13 30.932 16.975 33.920 100 HD2 ARG 13 HD2 ARG 13 29.738 17.222 35.999 101 HD3 ARG 13 HD3 ARG 13 28.987 18.247 34.757 102 HE ARG 13 HE ARG 13 27.747 15.602 35.038 103 HH11 ARG 13 HH11 ARG 13 27.708 18.846 36.469 104 HH12 ARG 13 HH12 ARG 13 26.008 18.666 36.891 105 HH21 ARG 13 HH21 ARG 13 25.517 15.668 35.417 106 HH22 ARG 13 HH22 ARG 13 24.899 16.986 36.418 107 H SER 14 H SER 14 28.306 14.337 30.579 108 HA SER 14 HA SER 14 28.949 11.928 31.886 109 HB2 SER 14 HB2 SER 14 28.017 12.240 29.000 110 HB3 SER 14 HB3 SER 14 27.803 10.811 30.037 111 HG SER 14 HG SER 14 26.002 12.329 29.809 112 H LEU 15 H LEU 15 30.389 13.333 28.942 113 HA LEU 15 HA LEU 15 32.232 11.127 28.447 114 HB2 LEU 15 HB2 LEU 15 32.548 13.958 27.444 115 HB3 LEU 15 HB3 LEU 15 33.097 12.469 26.692 116 HG LEU 15 HG LEU 15 30.220 13.458 26.920 117 HD11 LEU 15 HD11 LEU 15 31.624 14.763 25.373 118 HD12 LEU 15 HD12 LEU 15 32.060 13.270 24.506 119 HD13 LEU 15 HD13 LEU 15 30.379 13.837 24.528 120 HD21 LEU 15 HD21 LEU 15 29.667 11.623 25.346 121 HD22 LEU 15 HD22 LEU 15 31.337 11.039 25.418 122 HD23 LEU 15 HD23 LEU 15 30.297 10.966 26.860 123 H GLY 16 H GLY 16 32.387 14.332 29.935 124 HA2 GLY 16 HA2 GLY 16 33.756 14.371 32.068 125 HA3 GLY 16 HA3 GLY 16 35.108 13.808 31.084 126 H LEU 17 H LEU 17 33.190 16.069 29.317 127 HA LEU 17 HA LEU 17 35.098 18.277 29.963 128 HB2 LEU 17 HB2 LEU 17 35.037 18.773 27.475 129 HB3 LEU 17 HB3 LEU 17 36.073 17.485 28.045 130 HG LEU 17 HG LEU 17 33.334 16.859 26.892 131 HD11 LEU 17 HD11 LEU 17 34.392 16.694 24.676 132 HD12 LEU 17 HD12 LEU 17 34.553 18.348 25.303 133 HD13 LEU 17 HD13 LEU 17 35.941 17.253 25.353 134 HD21 LEU 17 HD21 LEU 17 34.634 14.942 27.885 135 HD22 LEU 17 HD22 LEU 17 34.501 14.789 26.129 136 HD23 LEU 17 HD23 LEU 17 36.006 15.365 26.867 137 H LEU 18 H LEU 18 34.450 20.368 28.859 138 HA LEU 18 HA LEU 18 31.660 21.046 29.604 139 HB2 LEU 18 HB2 LEU 18 34.165 22.638 28.965 140 HB3 LEU 18 HB3 LEU 18 32.603 23.411 29.157 141 HG LEU 18 HG LEU 18 33.668 21.593 31.343 142 HD11 LEU 18 HD11 LEU 18 35.427 23.243 30.924 143 HD12 LEU 18 HD12 LEU 18 34.237 24.563 31.035 144 HD13 LEU 18 HD13 LEU 18 34.605 23.563 32.460 145 HD21 LEU 18 HD21 LEU 18 32.258 22.999 32.778 146 HD22 LEU 18 HD22 LEU 18 31.808 24.013 31.391 147 HD23 LEU 18 HD23 LEU 18 31.288 22.316 31.471 148 H GLY 19 H GLY 19 30.528 22.629 28.110 149 HA2 GLY 19 HA2 GLY 19 31.085 22.433 25.264 150 HA3 GLY 19 HA3 GLY 19 29.709 21.436 25.738 151 H LYS 20 H LYS 20 29.797 23.678 23.948 152 HA LYS 20 HA LYS 20 27.786 25.503 25.153 153 HB2 LYS 20 HB2 LYS 20 30.056 26.657 23.505 154 HB3 LYS 20 HB3 LYS 20 28.812 27.495 24.381 155 HG2 LYS 20 HG2 LYS 20 30.733 27.911 25.562 156 HG3 LYS 20 HG3 LYS 20 29.893 26.707 26.541 157 HD2 LYS 20 HD2 LYS 20 31.481 25.002 25.949 158 HD3 LYS 20 HD3 LYS 20 32.035 25.887 24.539 159 HE2 LYS 20 HE2 LYS 20 33.682 25.910 26.388 160 HE3 LYS 20 HE3 LYS 20 33.141 27.534 25.947 161 HZ1 LYS 20 HZ1 LYS 20 33.235 27.026 28.404 162 HZ2 LYS 20 HZ2 LYS 20 31.795 27.652 27.903 163 HZ3 LYS 20 HZ3 LYS 20 31.935 26.058 28.207 164 H CYS 21 H CYS 21 26.633 26.801 23.492 165 HA CYS 21 HA CYS 21 26.002 25.083 21.220 166 HB2 CYS 21 HB2 CYS 21 24.321 26.337 22.642 167 HB3 CYS 21 HB3 CYS 21 24.908 27.830 21.887 168 H ILE 22 H ILE 22 26.569 25.312 19.109 169 HA ILE 22 HA ILE 22 27.077 28.011 18.079 170 HB ILE 22 HB ILE 22 29.324 27.178 18.604 171 HG12 ILE 22 HG12 ILE 22 28.753 27.410 15.621 172 HG13 ILE 22 HG13 ILE 22 28.853 28.761 16.752 173 HG21 ILE 22 HG21 ILE 22 28.857 24.715 18.222 174 HG22 ILE 22 HG22 ILE 22 28.922 25.038 16.476 175 HG23 ILE 22 HG23 ILE 22 30.348 25.304 17.492 176 HD11 ILE 22 HD11 ILE 22 31.228 28.177 17.223 177 HD12 ILE 22 HD12 ILE 22 31.130 26.883 16.006 178 HD13 ILE 22 HD13 ILE 22 30.929 28.573 15.520 179 H GLY 23 H GLY 23 26.090 28.348 16.145 180 HA2 GLY 23 HA2 GLY 23 24.674 27.964 14.387 181 HA3 GLY 23 HA3 GLY 23 25.526 26.432 14.152 182 H GLU 24 H GLU 24 23.527 27.438 16.951 183 HA GLU 24 HA GLU 24 21.910 26.396 18.092 184 HB2 GLU 24 HB2 GLU 24 20.692 25.820 15.382 185 HB3 GLU 24 HB3 GLU 24 19.849 25.904 16.920 186 HG2 GLU 24 HG2 GLU 24 21.169 28.188 15.420 187 HG3 GLU 24 HG3 GLU 24 19.457 27.944 15.711 188 H GLU 25 H GLU 25 24.198 24.630 17.403 189 HA GLU 25 HA GLU 25 22.910 22.197 18.505 190 HB2 GLU 25 HB2 GLU 25 24.670 22.380 16.078 191 HB3 GLU 25 HB3 GLU 25 24.907 21.008 17.151 192 HG2 GLU 25 HG2 GLU 25 22.241 21.760 15.877 193 HG3 GLU 25 HG3 GLU 25 23.370 20.578 15.226 194 H CYS 26 H CYS 26 23.915 21.308 20.202 195 HA CYS 26 HA CYS 26 25.927 22.738 21.635 196 HB2 CYS 26 HB2 CYS 26 24.197 21.407 22.705 197 HB3 CYS 26 HB3 CYS 26 24.748 19.959 21.883 198 H GLU 27 H GLU 27 28.137 22.505 21.846 199 HA GLU 27 HA GLU 27 29.545 20.301 20.400 200 HB2 GLU 27 HB2 GLU 27 29.444 22.157 18.875 201 HB3 GLU 27 HB3 GLU 27 29.846 23.299 20.135 202 HG2 GLU 27 HG2 GLU 27 31.748 23.174 18.843 203 HG3 GLU 27 HG3 GLU 27 32.159 22.234 20.268 204 H CYS 28 H CYS 28 30.673 19.228 21.905 205 HA CYS 28 HA CYS 28 31.565 20.425 24.420 206 HB2 CYS 28 HB2 CYS 28 32.379 17.733 23.336 207 HB3 CYS 28 HB3 CYS 28 32.331 18.301 25.002 208 H VAL 29 H VAL 29 33.650 20.887 25.048 209 HA VAL 29 HA VAL 29 35.762 20.970 22.946 210 HB VAL 29 HB VAL 29 36.376 23.251 23.676 211 HG11 VAL 29 HG11 VAL 29 33.568 23.051 22.516 212 HG12 VAL 29 HG12 VAL 29 34.695 24.411 22.351 213 HG13 VAL 29 HG13 VAL 29 35.083 22.856 21.608 214 HG21 VAL 29 HG21 VAL 29 33.661 23.285 25.070 215 HG22 VAL 29 HG22 VAL 29 35.250 23.402 25.859 216 HG23 VAL 29 HG23 VAL 29 34.703 24.687 24.773 217 HA PRO 30 HA PRO 30 38.120 19.182 26.133 218 HB2 PRO 30 HB2 PRO 30 40.694 19.528 25.278 219 HB3 PRO 30 HB3 PRO 30 39.513 18.512 24.401 220 HG2 PRO 30 HG2 PRO 30 40.239 21.413 23.842 221 HG3 PRO 30 HG3 PRO 30 40.201 20.043 22.682 222 HD2 PRO 30 HD2 PRO 30 38.094 21.737 22.935 223 HD3 PRO 30 HD3 PRO 30 37.837 19.982 22.685 224 H TYR 31 H TYR 31 38.337 22.565 25.685 225 HA TYR 31 HA TYR 31 40.482 23.535 27.023 226 HB2 TYR 31 HB2 TYR 31 37.714 24.733 27.273 227 HB3 TYR 31 HB3 TYR 31 39.249 25.587 27.290 228 HD1 TYR 31 HD1 TYR 31 36.683 26.065 25.625 229 HD2 TYR 31 HD2 TYR 31 40.439 24.130 24.746 230 HE1 TYR 31 HE1 TYR 31 36.380 26.576 23.209 231 HE2 TYR 31 HE2 TYR 31 40.114 24.635 22.324 232 HH TYR 31 HH TYR 31 37.184 26.260 21.077 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 15.727 26.549 14.814 2 H2 ALA 1 H2 ALA 1 14.520 27.244 15.679 3 H3 ALA 1 H3 ALA 1 14.326 25.727 15.079 4 HA ALA 1 HA ALA 1 14.729 25.633 17.428 5 HB1 ALA 1 HB1 ALA 1 15.479 23.751 15.988 6 HB2 ALA 1 HB2 ALA 1 17.063 24.542 15.789 7 HB3 ALA 1 HB3 ALA 1 16.536 23.984 17.386 8 H PHE 2 H PHE 2 16.409 25.675 19.100 9 HA PHE 2 HA PHE 2 18.202 28.069 19.004 10 HB2 PHE 2 HB2 PHE 2 16.141 27.280 21.089 11 HB3 PHE 2 HB3 PHE 2 17.308 28.596 21.260 12 HD1 PHE 2 HD1 PHE 2 17.258 30.543 19.679 13 HD2 PHE 2 HD2 PHE 2 14.128 27.579 19.740 14 HE1 PHE 2 HE1 PHE 2 15.816 32.045 18.379 15 HE2 PHE 2 HE2 PHE 2 12.668 29.115 18.444 16 HZ PHE 2 HZ PHE 2 13.490 31.359 17.764 17 H CYS 3 H CYS 3 19.738 28.142 20.820 18 HA CYS 3 HA CYS 3 21.149 25.637 21.347 19 HB2 CYS 3 HB2 CYS 3 22.368 27.680 20.865 20 HB3 CYS 3 HB3 CYS 3 21.500 28.543 22.120 21 H ASN 4 H ASN 4 21.357 24.528 23.299 22 HA ASN 4 HA ASN 4 19.911 25.488 25.723 23 HB2 ASN 4 HB2 ASN 4 20.007 22.642 24.631 24 HB3 ASN 4 HB3 ASN 4 19.306 23.148 26.160 25 HD21 ASN 4 HD21 ASN 4 16.401 24.621 24.617 26 HD22 ASN 4 HD22 ASN 4 17.521 24.848 25.967 27 H LEU 5 H LEU 5 22.354 26.310 25.836 28 HA LEU 5 HA LEU 5 24.503 24.511 25.926 29 HB2 LEU 5 HB2 LEU 5 24.641 26.945 25.580 30 HB3 LEU 5 HB3 LEU 5 24.139 27.225 27.245 31 HG LEU 5 HG LEU 5 26.212 26.218 28.078 32 HD11 LEU 5 HD11 LEU 5 28.086 25.779 26.479 33 HD12 LEU 5 HD12 LEU 5 26.772 24.609 26.338 34 HD13 LEU 5 HD13 LEU 5 26.932 25.912 25.130 35 HD21 LEU 5 HD21 LEU 5 26.099 28.634 27.596 36 HD22 LEU 5 HD22 LEU 5 27.725 28.008 27.289 37 HD23 LEU 5 HD23 LEU 5 26.637 28.340 25.927 38 H ARG 6 H ARG 6 22.398 25.581 28.594 39 HA ARG 6 HA ARG 6 23.924 24.265 30.634 40 HB2 ARG 6 HB2 ARG 6 22.304 25.000 32.142 41 HB3 ARG 6 HB3 ARG 6 22.456 26.241 30.902 42 HG2 ARG 6 HG2 ARG 6 20.343 25.236 29.818 43 HG3 ARG 6 HG3 ARG 6 20.195 24.267 31.291 44 HD2 ARG 6 HD2 ARG 6 18.860 26.129 31.782 45 HD3 ARG 6 HD3 ARG 6 20.390 26.524 32.569 46 HE ARG 6 HE ARG 6 20.200 27.530 29.826 47 HH11 ARG 6 HH11 ARG 6 19.484 28.409 33.163 48 HH12 ARG 6 HH12 ARG 6 19.226 30.088 32.723 49 HH21 ARG 6 HH21 ARG 6 19.898 29.742 29.424 50 HH22 ARG 6 HH22 ARG 6 19.771 30.805 30.810 51 H ARG 7 H ARG 7 21.567 22.955 28.480 52 HA ARG 7 HA ARG 7 21.296 20.402 29.999 53 HB2 ARG 7 HB2 ARG 7 20.348 21.166 27.189 54 HB3 ARG 7 HB3 ARG 7 19.958 19.676 28.050 55 HG2 ARG 7 HG2 ARG 7 18.794 21.007 29.802 56 HG3 ARG 7 HG3 ARG 7 19.117 22.491 28.895 57 HD2 ARG 7 HD2 ARG 7 17.755 21.728 27.024 58 HD3 ARG 7 HD3 ARG 7 17.553 20.133 27.762 59 HE ARG 7 HE ARG 7 16.637 22.085 29.613 60 HH11 ARG 7 HH11 ARG 7 15.485 20.889 26.439 61 HH12 ARG 7 HH12 ARG 7 13.839 21.210 26.951 62 HH21 ARG 7 HH21 ARG 7 14.530 22.214 30.084 63 HH22 ARG 7 HH22 ARG 7 13.330 21.895 28.825 64 H CYS 8 H CYS 8 23.027 21.753 27.257 65 HA CYS 8 HA CYS 8 24.318 19.346 26.383 66 HB2 CYS 8 HB2 CYS 8 24.111 21.351 25.025 67 HB3 CYS 8 HB3 CYS 8 25.052 22.274 26.190 68 H GLU 9 H GLU 9 25.531 21.970 28.608 69 HA GLU 9 HA GLU 9 28.094 20.837 28.844 70 HB2 GLU 9 HB2 GLU 9 28.509 22.373 30.605 71 HB3 GLU 9 HB3 GLU 9 27.532 23.165 29.364 72 HG2 GLU 9 HG2 GLU 9 25.504 22.632 30.862 73 HG3 GLU 9 HG3 GLU 9 26.668 22.214 32.119 74 H LEU 10 H LEU 10 25.276 20.266 31.035 75 HA LEU 10 HA LEU 10 26.754 18.483 32.735 76 HB2 LEU 10 HB2 LEU 10 24.677 17.950 33.737 77 HB3 LEU 10 HB3 LEU 10 24.709 19.656 33.344 78 HG LEU 10 HG LEU 10 23.326 18.983 31.227 79 HD11 LEU 10 HD11 LEU 10 22.688 16.647 33.098 80 HD12 LEU 10 HD12 LEU 10 21.789 17.081 31.628 81 HD13 LEU 10 HD13 LEU 10 23.446 16.499 31.508 82 HD21 LEU 10 HD21 LEU 10 22.123 18.873 34.026 83 HD22 LEU 10 HD22 LEU 10 22.494 20.342 33.100 84 HD23 LEU 10 HD23 LEU 10 21.246 19.237 32.519 85 H SER 11 H SER 11 25.383 18.013 29.585 86 HA SER 11 HA SER 11 25.526 15.063 29.674 87 HB2 SER 11 HB2 SER 11 25.118 16.916 27.296 88 HB3 SER 11 HB3 SER 11 24.959 15.156 27.316 89 HG SER 11 HG SER 11 23.314 17.133 28.497 90 H CYS 12 H CYS 12 27.626 17.754 28.670 91 HA CYS 12 HA CYS 12 29.681 15.990 27.567 92 HB2 CYS 12 HB2 CYS 12 29.811 18.877 28.471 93 HB3 CYS 12 HB3 CYS 12 31.024 18.029 27.531 94 H ARG 13 H ARG 13 29.102 17.536 30.755 95 HA ARG 13 HA ARG 13 31.410 16.822 32.156 96 HB2 ARG 13 HB2 ARG 13 29.542 18.236 32.970 97 HB3 ARG 13 HB3 ARG 13 28.515 16.813 33.094 98 HG2 ARG 13 HG2 ARG 13 30.087 15.885 34.843 99 HG3 ARG 13 HG3 ARG 13 31.024 17.382 34.721 100 HD2 ARG 13 HD2 ARG 13 29.567 17.552 36.632 101 HD3 ARG 13 HD3 ARG 13 28.972 18.665 35.389 102 HE ARG 13 HE ARG 13 27.662 16.097 35.175 103 HH11 ARG 13 HH11 ARG 13 27.529 18.963 37.223 104 HH12 ARG 13 HH12 ARG 13 25.786 18.822 37.385 105 HH21 ARG 13 HH21 ARG 13 25.568 15.879 35.603 106 HH22 ARG 13 HH22 ARG 13 24.803 16.898 36.813 107 H SER 14 H SER 14 28.657 14.709 31.386 108 HA SER 14 HA SER 14 29.519 12.360 32.749 109 HB2 SER 14 HB2 SER 14 27.861 12.619 30.211 110 HB3 SER 14 HB3 SER 14 27.968 11.197 31.266 111 HG SER 14 HG SER 14 26.168 12.434 31.867 112 H LEU 15 H LEU 15 30.581 13.689 29.619 113 HA LEU 15 HA LEU 15 32.169 11.317 28.903 114 HB2 LEU 15 HB2 LEU 15 32.474 14.121 27.816 115 HB3 LEU 15 HB3 LEU 15 32.980 12.602 27.085 116 HG LEU 15 HG LEU 15 30.134 13.612 27.438 117 HD11 LEU 15 HD11 LEU 15 30.158 13.785 24.991 118 HD12 LEU 15 HD12 LEU 15 31.458 14.760 25.698 119 HD13 LEU 15 HD13 LEU 15 31.832 13.195 24.945 120 HD21 LEU 15 HD21 LEU 15 31.156 11.056 26.110 121 HD22 LEU 15 HD22 LEU 15 30.148 11.137 27.572 122 HD23 LEU 15 HD23 LEU 15 29.487 11.654 26.017 123 H GLY 16 H GLY 16 32.626 14.458 30.416 124 HA2 GLY 16 HA2 GLY 16 34.351 14.657 32.216 125 HA3 GLY 16 HA3 GLY 16 35.481 13.850 31.129 126 H LEU 17 H LEU 17 33.291 16.204 29.639 127 HA LEU 17 HA LEU 17 35.328 18.352 29.775 128 HB2 LEU 17 HB2 LEU 17 35.061 18.563 27.249 129 HB3 LEU 17 HB3 LEU 17 36.175 17.368 27.861 130 HG LEU 17 HG LEU 17 33.357 16.539 27.110 131 HD11 LEU 17 HD11 LEU 17 34.257 17.892 25.242 132 HD12 LEU 17 HD12 LEU 17 35.696 16.865 25.185 133 HD13 LEU 17 HD13 LEU 17 34.100 16.179 24.804 134 HD21 LEU 17 HD21 LEU 17 36.085 15.157 26.855 135 HD22 LEU 17 HD22 LEU 17 34.873 14.772 28.077 136 HD23 LEU 17 HD23 LEU 17 34.536 14.452 26.375 137 H LEU 18 H LEU 18 34.498 20.361 28.503 138 HA LEU 18 HA LEU 18 31.687 20.831 29.382 139 HB2 LEU 18 HB2 LEU 18 33.888 22.800 28.659 140 HB3 LEU 18 HB3 LEU 18 32.254 23.226 29.112 141 HG LEU 18 HG LEU 18 33.519 23.651 30.985 142 HD11 LEU 18 HD11 LEU 18 32.673 22.222 32.736 143 HD12 LEU 18 HD12 LEU 18 31.413 22.418 31.506 144 HD13 LEU 18 HD13 LEU 18 32.350 20.909 31.591 145 HD21 LEU 18 HD21 LEU 18 34.716 20.876 31.042 146 HD22 LEU 18 HD22 LEU 18 35.513 22.289 30.304 147 HD23 LEU 18 HD23 LEU 18 35.126 22.287 32.028 148 H GLY 19 H GLY 19 30.366 22.277 28.115 149 HA2 GLY 19 HA2 GLY 19 30.372 21.591 25.207 150 HA3 GLY 19 HA3 GLY 19 28.982 22.089 26.145 151 H LYS 20 H LYS 20 29.825 23.170 23.626 152 HA LYS 20 HA LYS 20 29.575 26.021 24.338 153 HB2 LYS 20 HB2 LYS 20 31.328 26.798 22.840 154 HB3 LYS 20 HB3 LYS 20 31.969 25.773 24.103 155 HG2 LYS 20 HG2 LYS 20 33.178 25.002 22.375 156 HG3 LYS 20 HG3 LYS 20 31.845 23.860 22.285 157 HD2 LYS 20 HD2 LYS 20 30.867 25.233 20.402 158 HD3 LYS 20 HD3 LYS 20 32.244 26.350 20.551 159 HE2 LYS 20 HE2 LYS 20 33.795 24.436 20.155 160 HE3 LYS 20 HE3 LYS 20 32.404 23.357 19.958 161 HZ1 LYS 20 HZ1 LYS 20 33.119 25.638 18.190 162 HZ2 LYS 20 HZ2 LYS 20 33.251 24.048 17.849 163 HZ3 LYS 20 HZ3 LYS 20 31.764 24.665 18.012 164 H CYS 21 H CYS 21 28.471 27.261 22.772 165 HA CYS 21 HA CYS 21 26.987 25.631 20.753 166 HB2 CYS 21 HB2 CYS 21 26.258 28.003 22.407 167 HB3 CYS 21 HB3 CYS 21 25.603 27.940 20.777 168 H ILE 22 H ILE 22 26.732 26.129 18.686 169 HA ILE 22 HA ILE 22 27.811 28.621 17.535 170 HB ILE 22 HB ILE 22 28.542 25.868 16.509 171 HG12 ILE 22 HG12 ILE 22 30.109 26.712 18.204 172 HG13 ILE 22 HG13 ILE 22 30.845 26.560 16.623 173 HG21 ILE 22 HG21 ILE 22 28.783 28.524 15.060 174 HG22 ILE 22 HG22 ILE 22 29.646 27.048 14.591 175 HG23 ILE 22 HG23 ILE 22 27.885 27.080 14.547 176 HD11 ILE 22 HD11 ILE 22 29.942 29.206 17.843 177 HD12 ILE 22 HD12 ILE 22 31.600 28.591 17.777 178 HD13 ILE 22 HD13 ILE 22 30.754 28.993 16.280 179 H GLY 23 H GLY 23 26.313 29.537 16.360 180 HA2 GLY 23 HA2 GLY 23 24.512 29.959 15.036 181 HA3 GLY 23 HA3 GLY 23 24.471 28.260 14.558 182 H GLU 24 H GLU 24 23.668 26.788 16.336 183 HA GLU 24 HA GLU 24 21.404 27.772 17.976 184 HB2 GLU 24 HB2 GLU 24 19.714 26.688 16.654 185 HB3 GLU 24 HB3 GLU 24 20.655 27.734 15.594 186 HG2 GLU 24 HG2 GLU 24 22.021 25.665 14.949 187 HG3 GLU 24 HG3 GLU 24 20.828 24.704 15.812 188 H GLU 25 H GLU 25 23.957 25.704 17.795 189 HA GLU 25 HA GLU 25 22.658 23.590 19.411 190 HB2 GLU 25 HB2 GLU 25 22.454 23.036 16.937 191 HB3 GLU 25 HB3 GLU 25 24.224 22.973 16.887 192 HG2 GLU 25 HG2 GLU 25 24.162 21.143 18.599 193 HG3 GLU 25 HG3 GLU 25 22.393 21.228 18.598 194 H CYS 26 H CYS 26 23.994 22.502 20.768 195 HA CYS 26 HA CYS 26 26.675 23.656 21.189 196 HB2 CYS 26 HB2 CYS 26 24.994 23.756 23.016 197 HB3 CYS 26 HB3 CYS 26 24.859 22.018 22.956 198 H GLU 27 H GLU 27 28.508 22.455 21.316 199 HA GLU 27 HA GLU 27 28.362 19.481 21.151 200 HB2 GLU 27 HB2 GLU 27 30.352 21.210 19.644 201 HB3 GLU 27 HB3 GLU 27 30.370 19.456 19.715 202 HG2 GLU 27 HG2 GLU 27 28.129 21.105 18.473 203 HG3 GLU 27 HG3 GLU 27 29.502 20.464 17.590 204 H CYS 28 H CYS 28 30.071 18.416 22.239 205 HA CYS 28 HA CYS 28 31.314 19.923 24.424 206 HB2 CYS 28 HB2 CYS 28 31.892 17.060 23.698 207 HB3 CYS 28 HB3 CYS 28 32.050 17.868 25.251 208 H VAL 29 H VAL 29 33.498 20.333 24.729 209 HA VAL 29 HA VAL 29 35.371 19.899 22.445 210 HB VAL 29 HB VAL 29 36.314 22.197 22.991 211 HG11 VAL 29 HG11 VAL 29 33.569 22.115 21.716 212 HG12 VAL 29 HG12 VAL 29 34.833 23.358 21.502 213 HG13 VAL 29 HG13 VAL 29 35.114 21.713 20.927 214 HG21 VAL 29 HG21 VAL 29 33.570 22.715 24.205 215 HG22 VAL 29 HG22 VAL 29 35.098 22.634 25.111 216 HG23 VAL 29 HG23 VAL 29 34.853 23.903 23.908 217 HA PRO 30 HA PRO 30 38.266 18.825 25.702 218 HB2 PRO 30 HB2 PRO 30 40.659 19.133 24.424 219 HB3 PRO 30 HB3 PRO 30 39.495 17.839 23.991 220 HG2 PRO 30 HG2 PRO 30 39.869 20.542 22.654 221 HG3 PRO 30 HG3 PRO 30 39.817 18.924 21.881 222 HD2 PRO 30 HD2 PRO 30 37.619 20.523 22.027 223 HD3 PRO 30 HD3 PRO 30 37.489 18.747 22.188 224 H TYR 31 H TYR 31 37.890 21.989 24.533 225 HA TYR 31 HA TYR 31 40.180 23.308 25.490 226 HB2 TYR 31 HB2 TYR 31 37.433 24.467 24.971 227 HB3 TYR 31 HB3 TYR 31 38.952 25.350 25.002 228 HD1 TYR 31 HD1 TYR 31 40.704 23.425 23.380 229 HD2 TYR 31 HD2 TYR 31 36.728 24.986 22.758 230 HE1 TYR 31 HE1 TYR 31 40.932 23.036 20.945 231 HE2 TYR 31 HE2 TYR 31 36.962 24.581 20.311 232 HH TYR 31 HH TYR 31 38.219 23.508 18.688
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