NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537949 | 2loe | 18210 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 115.952 16.465 -3.126 2 H2 GLU 1 HT2 GLU 1 114.776 15.332 -3.598 3 H3 GLU 1 HT3 GLU 1 115.235 16.576 -4.660 4 HA GLU 1 HA GLU 1 116.766 15.264 -5.538 5 HB2 GLU 1 HB2 GLU 1 118.738 14.709 -4.190 6 HB3 GLU 1 HB1 GLU 1 118.208 16.352 -3.826 7 HG2 GLU 1 HG2 GLU 1 116.979 15.496 -1.845 8 HG3 GLU 1 HG1 GLU 1 117.581 13.875 -2.192 9 H LYS 2 HN LYS 2 118.014 12.941 -4.940 10 HA LYS 2 HA LYS 2 115.827 11.036 -4.906 11 HB2 LYS 2 HB2 LYS 2 118.823 10.563 -4.747 12 HB3 LYS 2 HB1 LYS 2 117.603 9.337 -5.099 13 HG2 LYS 2 HG2 LYS 2 117.799 11.841 -6.767 14 HG3 LYS 2 HG1 LYS 2 118.824 10.446 -7.107 15 HD2 LYS 2 HD2 LYS 2 116.754 9.030 -7.221 16 HD3 LYS 2 HD1 LYS 2 115.793 10.499 -7.057 17 HE2 LYS 2 HE2 LYS 2 117.831 10.025 -9.251 18 HE3 LYS 2 HE1 LYS 2 116.093 9.797 -9.439 19 HZ1 LYS 2 HZ1 LYS 2 117.360 12.094 -9.932 20 HZ2 LYS 2 HZ2 LYS 2 116.895 12.344 -8.319 21 HZ3 LYS 2 HZ3 LYS 2 115.724 11.995 -9.498 22 H VAL 3 HN VAL 3 115.573 9.314 -3.309 23 HA VAL 3 HA VAL 3 116.209 10.273 -0.567 24 HB VAL 3 HB VAL 3 114.284 8.181 -1.615 25 HG11 VAL 3 HG11 VAL 3 115.019 7.375 0.509 26 HG12 VAL 3 HG12 VAL 3 113.487 8.192 0.809 27 HG13 VAL 3 HG13 VAL 3 115.006 8.993 1.207 28 HG21 VAL 3 HG21 VAL 3 112.587 9.763 -0.761 29 HG22 VAL 3 HG22 VAL 3 113.615 10.528 -1.971 30 HG23 VAL 3 HG23 VAL 3 113.869 10.865 -0.259 31 H LYS 4 HN LYS 4 117.703 9.219 0.689 32 HA LYS 4 HA LYS 4 119.275 7.070 -0.454 33 HB2 LYS 4 HB2 LYS 4 119.177 8.044 2.421 34 HB3 LYS 4 HB1 LYS 4 120.437 7.038 1.709 35 HG2 LYS 4 HG2 LYS 4 119.726 9.825 0.753 36 HG3 LYS 4 HG1 LYS 4 121.080 9.446 1.817 37 HD2 LYS 4 HD2 LYS 4 121.810 7.780 -0.014 38 HD3 LYS 4 HD1 LYS 4 120.686 8.643 -1.064 39 HE2 LYS 4 HE2 LYS 4 121.853 10.752 -0.637 40 HE3 LYS 4 HE1 LYS 4 122.943 9.942 0.488 41 HZ1 LYS 4 HZ1 LYS 4 124.226 9.688 -1.307 42 HZ2 LYS 4 HZ2 LYS 4 122.951 9.961 -2.397 43 HZ3 LYS 4 HZ3 LYS 4 123.173 8.422 -1.712 44 H GLY 5 HN GLY 5 118.665 4.958 -0.471 45 HA2 GLY 5 HA2 GLY 5 117.704 3.529 1.775 46 HA3 GLY 5 HA1 GLY 5 116.301 4.012 0.827 47 H CYS 6 HN CYS 6 116.917 1.321 1.133 48 HA CYS 6 HA CYS 6 118.160 0.542 -1.464 49 HB2 CYS 6 HB2 CYS 6 118.906 -0.442 0.823 50 HB3 CYS 6 HB1 CYS 6 117.402 -1.355 0.754 51 H ASP 7 HN ASP 7 116.909 -0.351 -3.035 52 HA ASP 7 HA ASP 7 114.048 -0.897 -2.356 53 HB2 ASP 7 HB2 ASP 7 114.628 0.935 -4.056 54 HB3 ASP 7 HB1 ASP 7 115.157 -0.368 -5.121 55 H PHE 8 HN PHE 8 113.815 -3.077 -2.075 56 HA PHE 8 HA PHE 8 115.488 -4.962 -3.610 57 HB2 PHE 8 HB2 PHE 8 113.300 -5.406 -1.550 58 HB3 PHE 8 HB1 PHE 8 114.264 -6.690 -2.279 59 HD1 PHE 8 HD2 PHE 8 116.845 -6.498 -2.067 60 HD2 PHE 8 HD1 PHE 8 114.078 -4.282 0.359 61 HE1 PHE 8 HE2 PHE 8 118.627 -6.114 -0.385 62 HE2 PHE 8 HE1 PHE 8 115.860 -3.900 2.041 63 HZ PHE 8 HZ PHE 8 118.134 -4.816 1.669 64 H THR 9 HN THR 9 112.855 -3.203 -4.346 65 HA THR 9 HA THR 9 111.513 -5.399 -5.858 66 HB THR 9 HB THR 9 110.436 -2.626 -5.309 67 HG1 THR 9 HG1 THR 9 110.425 -4.983 -3.789 68 HG21 THR 9 HG21 THR 9 108.262 -3.920 -5.654 69 HG22 THR 9 HG22 THR 9 109.261 -5.239 -6.266 70 HG23 THR 9 HG23 THR 9 109.256 -3.681 -7.090 71 H THR 10 HN THR 10 113.467 -2.572 -6.250 72 HA THR 10 HA THR 10 113.252 -2.892 -9.182 73 HB THR 10 HB THR 10 112.787 -0.205 -7.856 74 HG1 THR 10 HG1 THR 10 110.847 -0.975 -7.672 75 HG21 THR 10 HG21 THR 10 112.753 -1.148 -10.732 76 HG22 THR 10 HG22 THR 10 113.845 0.034 -10.011 77 HG23 THR 10 HG23 THR 10 112.135 0.418 -10.208 78 H SER 11 HN SER 11 115.346 -3.035 -9.816 79 HA SER 11 HA SER 11 117.583 -2.218 -8.251 80 HB2 SER 11 HB2 SER 11 117.513 -2.482 -11.271 81 HB3 SER 11 HB1 SER 11 118.919 -2.643 -10.223 82 HG SER 11 HG SER 11 116.953 -4.446 -10.836 83 H GLU 12 HN GLU 12 115.630 -0.537 -10.635 84 HA GLU 12 HA GLU 12 117.335 1.896 -10.279 85 HB2 GLU 12 HB2 GLU 12 115.431 1.102 -12.505 86 HB3 GLU 12 HB1 GLU 12 116.200 2.684 -12.386 87 HG2 GLU 12 HG2 GLU 12 118.417 1.647 -12.494 88 HG3 GLU 12 HG1 GLU 12 117.684 0.043 -12.531 89 H SER 13 HN SER 13 116.104 2.110 -8.178 90 HA SER 13 HA SER 13 113.251 2.611 -8.261 91 HB2 SER 13 HB2 SER 13 115.033 3.638 -6.074 92 HB3 SER 13 HB1 SER 13 113.405 2.977 -5.961 93 HG SER 13 HG SER 13 114.851 1.080 -7.001 94 H THR 14 HN THR 14 112.407 4.375 -9.200 95 HA THR 14 HA THR 14 113.894 6.785 -9.748 96 HB THR 14 HB THR 14 111.847 5.985 -11.018 97 HG1 THR 14 HG1 THR 14 111.991 8.576 -9.906 98 HG21 THR 14 HG21 THR 14 110.189 7.286 -8.889 99 HG22 THR 14 HG22 THR 14 110.668 5.601 -8.684 100 HG23 THR 14 HG23 THR 14 109.721 6.084 -10.091 101 H ILE 15 HN ILE 15 113.002 5.553 -6.877 102 HA ILE 15 HA ILE 15 112.533 8.254 -5.684 103 HB ILE 15 HB ILE 15 111.349 6.897 -3.830 104 HG12 ILE 15 HG12 ILE 15 111.137 4.892 -6.097 105 HG13 ILE 15 HG11 ILE 15 112.219 4.693 -4.718 106 HG21 ILE 15 HG21 ILE 15 110.218 8.360 -5.520 107 HG22 ILE 15 HG22 ILE 15 109.235 6.979 -5.035 108 HG23 ILE 15 HG23 ILE 15 110.079 6.960 -6.583 109 HD11 ILE 15 HD11 ILE 15 110.166 3.487 -4.252 110 HD12 ILE 15 HD12 ILE 15 109.197 4.910 -4.637 111 HD13 ILE 15 HD13 ILE 15 110.225 4.904 -3.204 112 H PHE 16 HN PHE 16 113.960 5.012 -5.186 113 HA PHE 16 HA PHE 16 115.552 6.131 -2.930 114 HB2 PHE 16 HB2 PHE 16 115.209 3.269 -3.873 115 HB3 PHE 16 HB1 PHE 16 116.175 3.768 -2.485 116 HD1 PHE 16 HD2 PHE 16 114.976 5.169 -0.652 117 HD2 PHE 16 HD1 PHE 16 112.915 2.839 -3.616 118 HE1 PHE 16 HE2 PHE 16 112.939 5.167 0.765 119 HE2 PHE 16 HE1 PHE 16 110.880 2.834 -2.197 120 HZ PHE 16 HZ PHE 16 110.893 3.996 -0.007 121 H SER 17 HN SER 17 117.791 6.249 -3.025 122 HA SER 17 HA SER 17 119.000 6.418 -5.645 123 HB2 SER 17 HB2 SER 17 119.596 7.734 -3.500 124 HB3 SER 17 HB1 SER 17 120.523 6.307 -3.045 125 HG SER 17 HG SER 17 120.870 7.222 -5.637 126 H LYS 18 HN LYS 18 118.784 3.849 -3.263 127 HA LYS 18 HA LYS 18 120.737 2.292 -4.915 128 HB2 LYS 18 HB2 LYS 18 120.057 1.883 -1.990 129 HB3 LYS 18 HB1 LYS 18 121.281 1.012 -2.914 130 HG2 LYS 18 HG2 LYS 18 121.346 4.020 -2.663 131 HG3 LYS 18 HG1 LYS 18 122.092 2.977 -1.451 132 HD2 LYS 18 HD2 LYS 18 123.434 1.893 -3.236 133 HD3 LYS 18 HD1 LYS 18 122.723 2.993 -4.417 134 HE2 LYS 18 HE2 LYS 18 123.643 4.920 -3.181 135 HE3 LYS 18 HE1 LYS 18 124.361 3.821 -2.003 136 HZ1 LYS 18 HZ1 LYS 18 125.721 2.865 -3.698 137 HZ2 LYS 18 HZ2 LYS 18 125.916 4.552 -3.757 138 HZ3 LYS 18 HZ3 LYS 18 124.949 3.765 -4.912 139 H GLY 19 HN GLY 19 119.947 0.507 -5.908 140 HA2 GLY 19 HA2 GLY 19 117.543 -0.827 -4.776 141 HA3 GLY 19 HA1 GLY 19 117.497 -0.306 -6.462 142 H TYR 20 HN TYR 20 117.331 -3.050 -5.501 143 HA TYR 20 HA TYR 20 119.825 -4.144 -6.747 144 HB2 TYR 20 HB2 TYR 20 118.191 -5.154 -4.415 145 HB3 TYR 20 HB1 TYR 20 119.249 -6.227 -5.331 146 HD1 TYR 20 HD1 TYR 20 119.250 -2.941 -3.533 147 HD2 TYR 20 HD2 TYR 20 121.527 -6.355 -4.803 148 HE1 TYR 20 HE1 TYR 20 121.200 -2.121 -2.239 149 HE2 TYR 20 HE2 TYR 20 123.478 -5.535 -3.509 150 HH TYR 20 HH TYR 20 123.449 -2.372 -1.948 151 H SER 21 HN SER 21 119.497 -6.103 -8.016 152 HA SER 21 HA SER 21 116.805 -6.166 -9.264 153 HB2 SER 21 HB2 SER 21 118.911 -6.005 -10.660 154 HB3 SER 21 HB1 SER 21 119.319 -7.630 -10.119 155 HG SER 21 HG SER 21 116.751 -7.230 -11.106 156 H ILE 22 HN ILE 22 115.755 -8.281 -9.612 157 HA ILE 22 HA ILE 22 115.698 -9.897 -7.265 158 HB ILE 22 HB ILE 22 114.327 -11.459 -8.606 159 HG12 ILE 22 HG12 ILE 22 114.950 -9.638 -10.948 160 HG13 ILE 22 HG11 ILE 22 115.738 -11.196 -10.693 161 HG21 ILE 22 HG21 ILE 22 113.196 -9.525 -7.715 162 HG22 ILE 22 HG22 ILE 22 112.619 -9.760 -9.365 163 HG23 ILE 22 HG23 ILE 22 113.807 -8.504 -9.016 164 HD11 ILE 22 HD11 ILE 22 113.796 -11.388 -12.229 165 HD12 ILE 22 HD12 ILE 22 112.742 -10.787 -10.949 166 HD13 ILE 22 HD13 ILE 22 113.566 -12.335 -10.759 167 H ASN 23 HN ASN 23 117.740 -10.003 -10.079 168 HA ASN 23 HA ASN 23 118.603 -12.763 -9.651 169 HB2 ASN 23 HB2 ASN 23 118.713 -11.831 -11.901 170 HB3 ASN 23 HB1 ASN 23 119.756 -10.524 -11.339 171 HD21 ASN 23 HD21 ASN 23 119.942 -13.377 -12.983 172 HD22 ASN 23 HD22 ASN 23 121.506 -13.868 -12.542 173 H GLU 24 HN GLU 24 120.163 -9.563 -9.245 174 HA GLU 24 HA GLU 24 122.574 -10.383 -8.109 175 HB2 GLU 24 HB2 GLU 24 120.864 -7.983 -7.401 176 HB3 GLU 24 HB1 GLU 24 122.532 -8.195 -6.867 177 HG2 GLU 24 HG2 GLU 24 123.299 -8.285 -9.188 178 HG3 GLU 24 HG1 GLU 24 121.637 -8.169 -9.765 179 H ILE 25 HN ILE 25 119.424 -10.034 -6.470 180 HA ILE 25 HA ILE 25 120.493 -10.601 -3.848 181 HB ILE 25 HB ILE 25 118.124 -10.959 -3.204 182 HG12 ILE 25 HG12 ILE 25 117.535 -10.505 -6.146 183 HG13 ILE 25 HG11 ILE 25 117.477 -12.084 -5.362 184 HG21 ILE 25 HG21 ILE 25 119.168 -8.658 -3.509 185 HG22 ILE 25 HG22 ILE 25 117.407 -8.707 -3.608 186 HG23 ILE 25 HG23 ILE 25 118.371 -8.599 -5.081 187 HD11 ILE 25 HD11 ILE 25 115.751 -9.667 -4.787 188 HD12 ILE 25 HD12 ILE 25 115.846 -11.049 -3.693 189 HD13 ILE 25 HD13 ILE 25 115.232 -11.263 -5.333 190 H SER 26 HN SER 26 119.952 -12.556 -6.575 191 HA SER 26 HA SER 26 119.703 -15.014 -4.907 192 HB2 SER 26 HB2 SER 26 119.012 -16.147 -6.894 193 HB3 SER 26 HB1 SER 26 118.175 -14.598 -6.915 194 HG SER 26 HG SER 26 119.068 -14.497 -8.833 195 H ASN 27 HN ASN 27 121.909 -13.227 -6.917 196 HA ASN 27 HA ASN 27 123.920 -15.415 -6.553 197 HB2 ASN 27 HB2 ASN 27 123.161 -15.096 -8.947 198 HB3 ASN 27 HB1 ASN 27 123.832 -13.465 -8.874 199 HD21 ASN 27 HD21 ASN 27 124.831 -15.607 -10.620 200 HD22 ASN 27 HD22 ASN 27 126.432 -15.914 -10.149 201 H LYS 28 HN LYS 28 124.247 -12.108 -7.819 202 HA LYS 28 HA LYS 28 126.573 -11.568 -6.224 203 HB2 LYS 28 HB2 LYS 28 124.682 -9.704 -7.690 204 HB3 LYS 28 HB1 LYS 28 126.217 -9.201 -6.984 205 HG2 LYS 28 HG2 LYS 28 127.430 -10.752 -8.427 206 HG3 LYS 28 HG1 LYS 28 125.914 -11.375 -9.074 207 HD2 LYS 28 HD2 LYS 28 126.523 -9.824 -10.712 208 HD3 LYS 28 HD1 LYS 28 125.458 -8.862 -9.687 209 HE2 LYS 28 HE2 LYS 28 127.544 -7.637 -10.206 210 HE3 LYS 28 HE1 LYS 28 127.413 -7.969 -8.480 211 HZ1 LYS 28 HZ1 LYS 28 129.534 -8.592 -10.045 212 HZ2 LYS 28 HZ2 LYS 28 128.704 -10.072 -9.950 213 HZ3 LYS 28 HZ3 LYS 28 129.197 -9.280 -8.531 214 H SER 29 HN SER 29 125.315 -12.385 -4.187 215 HA SER 29 HA SER 29 123.352 -10.737 -2.930 216 HB2 SER 29 HB2 SER 29 125.389 -12.697 -1.875 217 HB3 SER 29 HB1 SER 29 124.333 -11.804 -0.784 218 HG SER 29 HG SER 29 123.747 -13.800 -2.638 219 H SER 30 HN SER 30 124.037 -9.709 -0.639 220 HA SER 30 HA SER 30 125.702 -7.429 -1.307 221 HB2 SER 30 HB2 SER 30 124.680 -8.263 1.421 222 HB3 SER 30 HB1 SER 30 125.200 -6.653 0.932 223 HG SER 30 HG SER 30 123.259 -6.352 0.214 224 H ASN 31 HN ASN 31 126.099 -9.258 1.706 225 HA ASN 31 HA ASN 31 129.022 -9.429 1.081 226 HB2 ASN 31 HB2 ASN 31 128.380 -7.889 2.973 227 HB3 ASN 31 HB1 ASN 31 127.752 -9.298 3.828 228 HD21 ASN 31 HD21 ASN 31 130.014 -7.684 4.749 229 HD22 ASN 31 HD22 ASN 31 131.378 -8.695 4.754 230 H ASN 32 HN ASN 32 126.589 -10.997 3.203 231 HA ASN 32 HA ASN 32 128.026 -13.462 3.411 232 HB2 ASN 32 HB2 ASN 32 125.056 -12.904 3.687 233 HB3 ASN 32 HB1 ASN 32 125.845 -14.405 4.170 234 HD21 ASN 32 HD21 ASN 32 124.489 -12.243 5.857 235 HD22 ASN 32 HD22 ASN 32 125.659 -11.808 7.006 236 H GLN 33 HN GLN 33 125.759 -15.238 2.656 237 HA GLN 33 HA GLN 33 126.341 -15.310 -0.265 238 HB2 GLN 33 HB2 GLN 33 125.331 -17.693 0.030 239 HB3 GLN 33 HB1 GLN 33 126.948 -17.384 0.661 240 HG2 GLN 33 HG2 GLN 33 126.000 -16.970 2.902 241 HG3 GLN 33 HG1 GLN 33 124.381 -17.282 2.273 242 HE21 GLN 33 HE21 GLN 33 125.992 -18.839 4.329 243 HE22 GLN 33 HE22 GLN 33 126.047 -20.425 3.728 244 H GLN 34 HN GLN 34 123.619 -15.799 2.010 245 HA GLN 34 HA GLN 34 121.771 -15.160 -0.250 246 HB2 GLN 34 HB2 GLN 34 120.065 -16.350 0.922 247 HB3 GLN 34 HB1 GLN 34 121.512 -17.351 1.039 248 HG2 GLN 34 HG2 GLN 34 121.975 -16.212 3.268 249 HG3 GLN 34 HG1 GLN 34 120.349 -15.533 3.159 250 HE21 GLN 34 HE21 GLN 34 119.587 -16.815 4.998 251 HE22 GLN 34 HE22 GLN 34 119.335 -18.488 4.857 252 H ASP 35 HN ASP 35 122.313 -14.494 3.216 253 HA ASP 35 HA ASP 35 120.353 -12.548 3.641 254 HB2 ASP 35 HB2 ASP 35 123.151 -12.125 4.669 255 HB3 ASP 35 HB1 ASP 35 121.616 -11.839 5.490 256 H ILE 36 HN ILE 36 119.928 -10.739 2.456 257 HA ILE 36 HA ILE 36 122.169 -9.467 0.967 258 HB ILE 36 HB ILE 36 119.195 -8.903 0.784 259 HG12 ILE 36 HG12 ILE 36 119.609 -11.206 0.114 260 HG13 ILE 36 HG11 ILE 36 119.353 -10.236 -1.337 261 HG21 ILE 36 HG21 ILE 36 121.508 -8.225 -1.058 262 HG22 ILE 36 HG22 ILE 36 120.689 -7.084 0.009 263 HG23 ILE 36 HG23 ILE 36 119.814 -7.820 -1.334 264 HD11 ILE 36 HD11 ILE 36 121.914 -11.388 -0.264 265 HD12 ILE 36 HD12 ILE 36 121.958 -9.953 -1.289 266 HD13 ILE 36 HD13 ILE 36 121.268 -11.455 -1.903 267 H VAL 37 HN VAL 37 123.101 -7.688 1.864 268 HA VAL 37 HA VAL 37 121.462 -6.113 3.809 269 HB VAL 37 HB VAL 37 124.420 -6.741 3.789 270 HG11 VAL 37 HG11 VAL 37 122.857 -4.635 5.288 271 HG12 VAL 37 HG12 VAL 37 124.348 -4.439 4.367 272 HG13 VAL 37 HG13 VAL 37 124.373 -5.285 5.914 273 HG21 VAL 37 HG21 VAL 37 122.593 -7.009 6.144 274 HG22 VAL 37 HG22 VAL 37 123.997 -7.979 5.699 275 HG23 VAL 37 HG23 VAL 37 122.465 -8.204 4.853 276 H CYS 38 HN CYS 38 121.175 -3.999 3.308 277 HA CYS 38 HA CYS 38 122.773 -2.874 1.054 278 HB2 CYS 38 HB2 CYS 38 120.150 -1.952 2.281 279 HB3 CYS 38 HB1 CYS 38 120.971 -1.155 0.939 280 H THR 39 HN THR 39 124.601 -2.023 2.048 281 HA THR 39 HA THR 39 124.258 -0.445 4.530 282 HB THR 39 HB THR 39 126.757 -1.183 2.979 283 HG1 THR 39 HG1 THR 39 125.873 -2.157 5.477 284 HG21 THR 39 HG21 THR 39 127.100 0.856 4.258 285 HG22 THR 39 HG22 THR 39 127.905 -0.479 5.085 286 HG23 THR 39 HG23 THR 39 126.359 0.125 5.683 287 H VAL 40 HN VAL 40 123.914 1.705 4.399 288 HA VAL 40 HA VAL 40 125.201 3.225 2.187 289 HB VAL 40 HB VAL 40 123.198 4.367 1.603 290 HG11 VAL 40 HG11 VAL 40 122.269 1.535 2.126 291 HG12 VAL 40 HG12 VAL 40 123.408 1.944 0.844 292 HG13 VAL 40 HG13 VAL 40 121.774 2.607 0.817 293 HG21 VAL 40 HG21 VAL 40 122.079 4.910 3.562 294 HG22 VAL 40 HG22 VAL 40 122.248 3.287 4.229 295 HG23 VAL 40 HG23 VAL 40 121.050 3.604 2.975 296 H LYS 41 HN LYS 41 125.396 5.545 2.723 297 HA LYS 41 HA LYS 41 125.557 5.931 5.671 298 HB2 LYS 41 HB2 LYS 41 126.849 7.385 3.347 299 HB3 LYS 41 HB1 LYS 41 126.969 7.935 5.019 300 HG2 LYS 41 HG2 LYS 41 128.021 5.838 5.680 301 HG3 LYS 41 HG1 LYS 41 127.806 5.185 4.055 302 HD2 LYS 41 HD2 LYS 41 130.052 5.941 4.091 303 HD3 LYS 41 HD1 LYS 41 129.172 7.218 3.252 304 HE2 LYS 41 HE2 LYS 41 129.118 8.593 5.217 305 HE3 LYS 41 HE1 LYS 41 129.697 7.272 6.232 306 HZ1 LYS 41 HZ1 LYS 41 131.451 7.780 4.043 307 HZ2 LYS 41 HZ2 LYS 41 131.789 7.727 5.707 308 HZ3 LYS 41 HZ3 LYS 41 131.236 9.166 4.995 309 H ALA 42 HN ALA 42 123.995 7.130 6.626 310 HA ALA 42 HA ALA 42 122.211 8.763 4.915 311 HB1 ALA 42 HB1 ALA 42 120.906 8.973 7.100 312 HB2 ALA 42 HB2 ALA 42 122.060 7.833 7.791 313 HB3 ALA 42 HB3 ALA 42 121.036 7.343 6.441 314 H HIS 43 HN HIS 43 121.590 10.965 5.764 315 HA HIS 43 HA HIS 43 123.771 12.263 7.328 316 HB2 HIS 43 HB2 HIS 43 123.984 12.491 4.738 317 HB3 HIS 43 HB1 HIS 43 122.627 13.606 4.887 318 HD1 HIS 43 HD1 HIS 43 126.132 13.102 6.292 319 HD2 HIS 43 HD2 HIS 43 123.347 16.155 5.724 320 HE1 HIS 43 HE1 HIS 43 127.290 15.260 6.943 321 HE2 HIS 43 HE2 HIS 43 125.605 17.125 6.602 322 H ALA 44 HN ALA 44 123.090 14.217 8.390 323 HA ALA 44 HA ALA 44 120.501 14.197 9.496 324 HB1 ALA 44 HB1 ALA 44 122.727 15.581 10.058 325 HB2 ALA 44 HB2 ALA 44 121.138 16.106 10.613 326 HB3 ALA 44 HB3 ALA 44 121.856 16.836 9.177 327 H ASN 45 HN ASN 45 121.621 15.552 6.471 328 HA ASN 45 HA ASN 45 119.008 16.940 6.088 329 HB2 ASN 45 HB2 ASN 45 121.622 17.054 4.560 330 HB3 ASN 45 HB1 ASN 45 120.150 17.868 4.032 331 HD21 ASN 45 HD21 ASN 45 122.647 19.211 4.853 332 HD22 ASN 45 HD22 ASN 45 122.262 20.159 6.207 333 H ASP 46 HN ASP 46 120.874 14.194 5.039 334 HA ASP 46 HA ASP 46 119.425 13.725 2.575 335 HB2 ASP 46 HB2 ASP 46 121.162 11.966 4.326 336 HB3 ASP 46 HB1 ASP 46 120.435 11.399 2.823 337 H LEU 47 HN LEU 47 117.568 12.512 2.259 338 HA LEU 47 HA LEU 47 115.955 11.882 4.622 339 HB2 LEU 47 HB2 LEU 47 115.429 11.410 1.668 340 HB3 LEU 47 HB1 LEU 47 114.250 11.171 2.956 341 HG LEU 47 HG LEU 47 115.623 13.805 2.337 342 HD11 LEU 47 HD11 LEU 47 112.930 12.655 1.596 343 HD12 LEU 47 HD12 LEU 47 114.124 13.415 0.543 344 HD13 LEU 47 HD13 LEU 47 113.196 14.397 1.676 345 HD21 LEU 47 HD21 LEU 47 115.023 14.015 4.568 346 HD22 LEU 47 HD22 LEU 47 113.713 12.842 4.433 347 HD23 LEU 47 HD23 LEU 47 113.499 14.479 3.811 348 H ILE 48 HN ILE 48 115.402 9.765 5.314 349 HA ILE 48 HA ILE 48 116.972 7.577 4.005 350 HB ILE 48 HB ILE 48 117.030 6.531 6.313 351 HG12 ILE 48 HG12 ILE 48 116.281 9.325 7.216 352 HG13 ILE 48 HG11 ILE 48 115.125 7.995 7.155 353 HG21 ILE 48 HG21 ILE 48 118.891 7.927 7.067 354 HG22 ILE 48 HG22 ILE 48 118.342 9.253 6.042 355 HG23 ILE 48 HG23 ILE 48 118.948 7.766 5.313 356 HD11 ILE 48 HD11 ILE 48 116.344 8.426 9.402 357 HD12 ILE 48 HD12 ILE 48 117.748 7.703 8.617 358 HD13 ILE 48 HD13 ILE 48 116.266 6.765 8.816 359 H GLY 49 HN GLY 49 115.909 5.607 3.704 360 HA2 GLY 49 HA2 GLY 49 113.499 4.789 4.957 361 HA3 GLY 49 HA1 GLY 49 113.068 5.619 3.461 362 H PHE 50 HN PHE 50 112.294 3.181 3.191 363 HA PHE 50 HA PHE 50 114.074 2.000 1.237 364 HB2 PHE 50 HB2 PHE 50 114.552 -0.096 2.367 365 HB3 PHE 50 HB1 PHE 50 115.138 1.229 3.372 366 HD1 PHE 50 HD1 PHE 50 112.531 -1.352 2.981 367 HD2 PHE 50 HD2 PHE 50 114.052 1.800 5.470 368 HE1 PHE 50 HE1 PHE 50 111.101 -2.137 4.849 369 HE2 PHE 50 HE2 PHE 50 112.621 1.018 7.337 370 HZ PHE 50 HZ PHE 50 111.145 -0.950 7.027 371 H LYS 51 HN LYS 51 113.104 -0.153 0.439 372 HA LYS 51 HA LYS 51 110.222 -0.444 1.050 373 HB2 LYS 51 HB2 LYS 51 110.275 1.244 -0.736 374 HB3 LYS 51 HB1 LYS 51 111.272 0.180 -1.728 375 HG2 LYS 51 HG2 LYS 51 109.471 -1.493 -1.775 376 HG3 LYS 51 HG1 LYS 51 108.473 -0.460 -0.750 377 HD2 LYS 51 HD2 LYS 51 108.523 1.303 -2.485 378 HD3 LYS 51 HD1 LYS 51 109.498 0.254 -3.514 379 HE2 LYS 51 HE2 LYS 51 107.685 -1.415 -3.546 380 HE3 LYS 51 HE1 LYS 51 106.709 -0.380 -2.504 381 HZ1 LYS 51 HZ1 LYS 51 107.770 0.823 -4.936 382 HZ2 LYS 51 HZ2 LYS 51 106.269 1.052 -4.174 383 HZ3 LYS 51 HZ3 LYS 51 106.537 -0.323 -5.135 384 H CYS 52 HN CYS 52 109.429 -2.500 0.524 385 HA CYS 52 HA CYS 52 111.416 -4.447 -0.594 386 HB2 CYS 52 HB2 CYS 52 109.550 -4.725 1.777 387 HB3 CYS 52 HB1 CYS 52 110.280 -6.118 0.984 388 HA PRO 53 HA PRO 53 108.343 -5.558 -3.580 389 HB2 PRO 53 HB2 PRO 53 108.396 -8.364 -3.261 390 HB3 PRO 53 HB1 PRO 53 109.386 -7.409 -4.377 391 HG2 PRO 53 HG2 PRO 53 110.075 -8.518 -1.721 392 HG3 PRO 53 HG1 PRO 53 111.099 -8.263 -3.144 393 HD2 PRO 53 HD2 PRO 53 111.256 -6.630 -0.990 394 HD3 PRO 53 HD1 PRO 53 111.462 -6.006 -2.644 395 H SER 54 HN SER 54 106.138 -6.285 -3.731 396 HA SER 54 HA SER 54 104.680 -6.155 -1.235 397 HB2 SER 54 HB2 SER 54 102.691 -6.436 -2.649 398 HB3 SER 54 HB1 SER 54 103.790 -5.259 -3.362 399 HG SER 54 HG SER 54 102.864 -7.072 -4.714 400 H ASN 55 HN ASN 55 106.186 -8.747 -2.847 401 HA ASN 55 HA ASN 55 104.255 -10.754 -1.844 402 HB2 ASN 55 HB2 ASN 55 106.836 -11.029 -3.411 403 HB3 ASN 55 HB1 ASN 55 105.806 -12.383 -2.946 404 HD21 ASN 55 HD21 ASN 55 106.457 -10.592 -5.589 405 HD22 ASN 55 HD22 ASN 55 104.927 -10.549 -6.323 406 H TYR 56 HN TYR 56 106.816 -9.048 -0.553 407 HA TYR 56 HA TYR 56 107.656 -11.333 1.175 408 HB2 TYR 56 HB2 TYR 56 108.957 -8.746 0.368 409 HB3 TYR 56 HB1 TYR 56 109.454 -9.547 1.859 410 HD1 TYR 56 HD1 TYR 56 108.748 -10.367 -1.739 411 HD2 TYR 56 HD2 TYR 56 111.141 -11.148 1.744 412 HE1 TYR 56 HE1 TYR 56 110.137 -11.953 -3.048 413 HE2 TYR 56 HE2 TYR 56 112.529 -12.732 0.434 414 HH TYR 56 HH TYR 56 113.107 -13.231 -1.828 415 H SER 57 HN SER 57 107.937 -10.817 3.515 416 HA SER 57 HA SER 57 105.734 -9.038 4.438 417 HB2 SER 57 HB2 SER 57 107.292 -11.041 6.089 418 HB3 SER 57 HB1 SER 57 105.735 -10.311 6.470 419 HG SER 57 HG SER 57 105.041 -12.099 5.567 420 H VAL 58 HN VAL 58 106.171 -7.258 5.747 421 HA VAL 58 HA VAL 58 109.035 -6.559 6.016 422 HB VAL 58 HB VAL 58 108.341 -4.313 6.311 423 HG11 VAL 58 HG11 VAL 58 107.861 -5.441 4.040 424 HG12 VAL 58 HG12 VAL 58 107.069 -3.897 4.357 425 HG13 VAL 58 HG13 VAL 58 106.165 -5.403 4.523 426 HG21 VAL 58 HG21 VAL 58 105.760 -3.908 6.549 427 HG22 VAL 58 HG22 VAL 58 106.692 -4.359 7.978 428 HG23 VAL 58 HG23 VAL 58 105.733 -5.573 7.131 429 H GLU 59 HN GLU 59 110.039 -7.068 7.853 430 HA GLU 59 HA GLU 59 108.535 -6.894 10.438 431 HB2 GLU 59 HB2 GLU 59 110.475 -8.982 9.437 432 HB3 GLU 59 HB1 GLU 59 110.289 -8.692 11.165 433 HG2 GLU 59 HG2 GLU 59 108.136 -9.518 11.218 434 HG3 GLU 59 HG1 GLU 59 107.806 -9.062 9.546 435 HA PRO 60 HA PRO 60 111.926 -4.035 11.062 436 HB2 PRO 60 HB2 PRO 60 111.285 -3.174 13.543 437 HB3 PRO 60 HB1 PRO 60 110.350 -2.697 12.110 438 HG2 PRO 60 HG2 PRO 60 109.741 -4.768 14.163 439 HG3 PRO 60 HG1 PRO 60 108.657 -3.608 13.377 440 HD2 PRO 60 HD2 PRO 60 108.868 -6.260 12.619 441 HD3 PRO 60 HD1 PRO 60 108.342 -4.960 11.526 442 H HIS 61 HN HIS 61 113.896 -5.053 11.371 443 HA HIS 61 HA HIS 61 114.274 -6.793 13.735 444 HB2 HIS 61 HB2 HIS 61 115.190 -7.223 11.314 445 HB3 HIS 61 HB1 HIS 61 116.448 -6.078 11.778 446 HD1 HIS 61 HD1 HIS 61 115.877 -9.567 11.765 447 HD2 HIS 61 HD2 HIS 61 117.481 -6.949 14.588 448 HE1 HIS 61 HE1 HIS 61 117.233 -10.985 13.370 449 HE2 HIS 61 HE2 HIS 61 118.214 -9.401 15.091 450 H ASP 62 HN ASP 62 115.030 -3.629 12.536 451 HA ASP 62 HA ASP 62 115.833 -2.705 15.158 452 HB2 ASP 62 HB2 ASP 62 117.950 -3.795 14.420 453 HB3 ASP 62 HB1 ASP 62 117.958 -2.762 12.990 454 H CYS 63 HN CYS 63 113.816 -1.999 13.339 455 HA CYS 63 HA CYS 63 114.523 0.236 11.677 456 HB2 CYS 63 HB2 CYS 63 111.873 -0.556 12.919 457 HB3 CYS 63 HB1 CYS 63 112.065 0.696 11.695 458 H PHE 64 HN PHE 64 112.553 2.183 12.602 459 HA PHE 64 HA PHE 64 114.079 3.200 14.959 460 HB2 PHE 64 HB2 PHE 64 113.131 5.471 14.095 461 HB3 PHE 64 HB1 PHE 64 114.492 4.734 13.251 462 HD1 PHE 64 HD2 PHE 64 113.982 3.242 11.218 463 HD2 PHE 64 HD1 PHE 64 111.114 5.922 12.965 464 HE1 PHE 64 HE2 PHE 64 112.651 3.183 9.125 465 HE2 PHE 64 HE1 PHE 64 109.784 5.864 10.872 466 HZ PHE 64 HZ PHE 64 110.553 4.493 8.952 467 H VAL 65 HN VAL 65 110.741 3.292 13.559 468 HA VAL 65 HA VAL 65 109.538 4.494 15.837 469 HB VAL 65 HB VAL 65 108.400 2.531 13.822 470 HG11 VAL 65 HG11 VAL 65 107.161 3.923 16.186 471 HG12 VAL 65 HG12 VAL 65 106.932 2.265 15.630 472 HG13 VAL 65 HG13 VAL 65 106.191 3.601 14.749 473 HG21 VAL 65 HG21 VAL 65 108.173 5.539 14.187 474 HG22 VAL 65 HG22 VAL 65 107.279 4.605 12.987 475 HG23 VAL 65 HG23 VAL 65 109.037 4.707 12.894 476 H SER 66 HN SER 66 109.936 1.041 15.039 477 HA SER 66 HA SER 66 110.200 0.395 17.887 478 HB2 SER 66 HB2 SER 66 107.719 0.406 17.526 479 HB3 SER 66 HB1 SER 66 107.928 -0.814 16.273 480 HG SER 66 HG SER 66 108.816 -2.182 17.849 481 H ALA 67 HN ALA 67 111.704 -1.249 17.996 482 HA ALA 67 HA ALA 67 111.747 -3.452 16.136 483 HB1 ALA 67 HB1 ALA 67 113.624 -2.905 14.781 484 HB2 ALA 67 HB2 ALA 67 114.040 -1.515 15.786 485 HB3 ALA 67 HB3 ALA 67 112.610 -1.464 14.757 486 H PHE 68 HN PHE 68 114.140 -4.487 16.285 487 HA PHE 68 HA PHE 68 114.675 -4.703 19.195 488 HB2 PHE 68 HB2 PHE 68 115.885 -6.346 16.957 489 HB3 PHE 68 HB1 PHE 68 115.814 -6.755 18.670 490 HD1 PHE 68 HD1 PHE 68 113.616 -6.019 15.725 491 HD2 PHE 68 HD2 PHE 68 114.023 -8.031 19.501 492 HE1 PHE 68 HE1 PHE 68 111.439 -7.150 15.361 493 HE2 PHE 68 HE2 PHE 68 111.845 -9.160 19.134 494 HZ PHE 68 HZ PHE 68 110.554 -8.719 17.064 495 H ASN 69 HN ASN 69 116.459 -3.722 20.075 496 HA ASN 69 HA ASN 69 118.171 -2.079 18.428 497 HB2 ASN 69 HB2 ASN 69 118.308 -2.909 21.334 498 HB3 ASN 69 HB1 ASN 69 119.482 -1.821 20.593 499 HD21 ASN 69 HD21 ASN 69 117.712 -0.962 22.705 500 HD22 ASN 69 HD22 ASN 69 116.655 0.199 22.058 501 H LEU 70 HN LEU 70 120.725 -2.373 19.106 502 HA LEU 70 HA LEU 70 121.617 -4.635 17.610 503 HB2 LEU 70 HB2 LEU 70 123.219 -3.046 19.638 504 HB3 LEU 70 HB1 LEU 70 123.856 -3.988 18.291 505 HG LEU 70 HG LEU 70 122.060 -1.554 18.038 506 HD11 LEU 70 HD11 LEU 70 124.239 -0.820 18.705 507 HD12 LEU 70 HD12 LEU 70 124.168 -0.606 16.957 508 HD13 LEU 70 HD13 LEU 70 125.031 -1.984 17.643 509 HD21 LEU 70 HD21 LEU 70 122.933 -1.845 15.584 510 HD22 LEU 70 HD22 LEU 70 121.600 -2.855 16.140 511 HD23 LEU 70 HD23 LEU 70 123.234 -3.512 16.073 512 H SER 71 HN SER 71 120.810 -4.222 20.963 513 HA SER 71 HA SER 71 122.214 -6.651 21.835 514 HB2 SER 71 HB2 SER 71 120.160 -4.915 23.244 515 HB3 SER 71 HB1 SER 71 121.061 -6.229 23.995 516 HG SER 71 HG SER 71 122.951 -5.094 23.641 517 H GLY 72 HN GLY 72 119.453 -6.011 20.096 518 HA2 GLY 72 HA2 GLY 72 117.858 -7.571 19.294 519 HA3 GLY 72 HA1 GLY 72 118.472 -8.751 20.453 520 H LYS 73 HN LYS 73 117.737 -5.624 21.699 521 HA LYS 73 HA LYS 73 115.386 -6.782 23.110 522 HB2 LYS 73 HB2 LYS 73 117.060 -4.313 23.675 523 HB3 LYS 73 HB1 LYS 73 115.666 -4.812 24.634 524 HG2 LYS 73 HG2 LYS 73 116.769 -6.946 25.159 525 HG3 LYS 73 HG1 LYS 73 118.156 -6.484 24.170 526 HD2 LYS 73 HD2 LYS 73 118.526 -4.518 25.645 527 HD3 LYS 73 HD1 LYS 73 117.183 -5.047 26.659 528 HE2 LYS 73 HE2 LYS 73 119.628 -6.740 26.072 529 HE3 LYS 73 HE1 LYS 73 119.434 -5.757 27.523 530 HZ1 LYS 73 HZ1 LYS 73 118.642 -7.786 28.205 531 HZ2 LYS 73 HZ2 LYS 73 117.958 -8.164 26.697 532 HZ3 LYS 73 HZ3 LYS 73 117.207 -7.029 27.715 533 H ASN 74 HN ASN 74 113.339 -5.825 22.916 534 HA ASN 74 HA ASN 74 112.962 -4.093 20.582 535 HB2 ASN 74 HB2 ASN 74 111.394 -5.957 21.099 536 HB3 ASN 74 HB1 ASN 74 110.917 -5.114 22.574 537 HD21 ASN 74 HD21 ASN 74 108.974 -5.632 20.570 538 HD22 ASN 74 HD22 ASN 74 108.520 -4.165 19.848 539 H GLU 75 HN GLU 75 113.370 -1.950 20.842 540 HA GLU 75 HA GLU 75 112.015 -0.529 23.065 541 HB2 GLU 75 HB2 GLU 75 114.989 -0.374 22.489 542 HB3 GLU 75 HB1 GLU 75 114.125 0.776 23.508 543 HG2 GLU 75 HG2 GLU 75 113.439 -1.031 25.015 544 HG3 GLU 75 HG1 GLU 75 114.237 -2.216 23.982 545 H ASN 76 HN ASN 76 111.321 1.525 22.445 546 HA ASN 76 HA ASN 76 111.178 2.175 19.676 547 HB2 ASN 76 HB2 ASN 76 110.744 3.774 22.201 548 HB3 ASN 76 HB1 ASN 76 110.580 4.518 20.611 549 HD21 ASN 76 HD21 ASN 76 108.244 4.769 20.806 550 HD22 ASN 76 HD22 ASN 76 107.200 3.431 20.770 551 H LEU 77 HN LEU 77 112.389 3.649 18.411 552 HA LEU 77 HA LEU 77 115.111 4.220 19.458 553 HB2 LEU 77 HB2 LEU 77 114.583 3.089 17.170 554 HB3 LEU 77 HB1 LEU 77 114.184 4.720 16.633 555 HG LEU 77 HG LEU 77 116.500 5.372 17.632 556 HD11 LEU 77 HD11 LEU 77 116.526 2.789 18.478 557 HD12 LEU 77 HD12 LEU 77 117.989 3.720 18.169 558 HD13 LEU 77 HD13 LEU 77 117.367 2.621 16.939 559 HD21 LEU 77 HD21 LEU 77 117.571 4.869 15.495 560 HD22 LEU 77 HD22 LEU 77 115.888 5.304 15.201 561 HD23 LEU 77 HD23 LEU 77 116.382 3.612 15.163 562 H GLU 78 HN GLU 78 112.280 5.797 19.588 563 HA GLU 78 HA GLU 78 112.965 8.381 18.475 564 HB2 GLU 78 HB2 GLU 78 111.021 9.207 19.758 565 HB3 GLU 78 HB1 GLU 78 110.624 7.737 18.869 566 HG2 GLU 78 HG2 GLU 78 109.783 7.101 20.903 567 HG3 GLU 78 HG1 GLU 78 111.461 6.632 21.184 568 H ASN 79 HN ASN 79 113.184 6.972 21.743 569 HA ASN 79 HA ASN 79 114.042 9.337 23.080 570 HB2 ASN 79 HB2 ASN 79 113.382 7.286 24.286 571 HB3 ASN 79 HB1 ASN 79 114.799 6.451 23.647 572 HD21 ASN 79 HD21 ASN 79 115.693 6.170 25.833 573 HD22 ASN 79 HD22 ASN 79 116.357 7.483 26.679 574 H LYS 80 HN LYS 80 115.705 7.125 20.951 575 HA LYS 80 HA LYS 80 118.377 8.115 21.658 576 HB2 LYS 80 HB2 LYS 80 118.183 5.814 20.900 577 HB3 LYS 80 HB1 LYS 80 117.373 6.328 19.421 578 HG2 LYS 80 HG2 LYS 80 119.757 5.834 19.001 579 HG3 LYS 80 HG1 LYS 80 119.400 7.537 18.716 580 HD2 LYS 80 HD2 LYS 80 120.414 8.207 20.751 581 HD3 LYS 80 HD1 LYS 80 120.402 6.563 21.392 582 HE2 LYS 80 HE2 LYS 80 122.056 5.871 19.716 583 HE3 LYS 80 HE1 LYS 80 122.038 7.485 19.008 584 HZ1 LYS 80 HZ1 LYS 80 123.844 6.854 20.735 585 HZ2 LYS 80 HZ2 LYS 80 122.620 7.167 21.872 586 HZ3 LYS 80 HZ3 LYS 80 123.121 8.387 20.800 587 H LEU 81 HN LEU 81 116.118 8.433 18.919 588 HA LEU 81 HA LEU 81 117.446 11.009 18.230 589 HB2 LEU 81 HB2 LEU 81 118.351 9.231 16.733 590 HB3 LEU 81 HB1 LEU 81 116.706 8.858 16.222 591 HG LEU 81 HG LEU 81 116.439 11.143 15.355 592 HD11 LEU 81 HD11 LEU 81 119.119 11.456 16.649 593 HD12 LEU 81 HD12 LEU 81 117.760 12.578 16.607 594 HD13 LEU 81 HD13 LEU 81 118.786 12.381 15.185 595 HD21 LEU 81 HD21 LEU 81 117.661 10.788 13.394 596 HD22 LEU 81 HD22 LEU 81 117.648 9.169 14.094 597 HD23 LEU 81 HD23 LEU 81 119.073 10.194 14.266 598 H LYS 82 HN LYS 82 115.937 12.592 17.778 599 HA LYS 82 HA LYS 82 113.096 11.826 17.949 600 HB2 LYS 82 HB2 LYS 82 113.138 14.544 17.488 601 HB3 LYS 82 HB1 LYS 82 113.173 13.792 19.084 602 HG2 LYS 82 HG2 LYS 82 115.637 13.788 19.039 603 HG3 LYS 82 HG1 LYS 82 115.613 14.529 17.439 604 HD2 LYS 82 HD2 LYS 82 114.273 15.797 19.835 605 HD3 LYS 82 HD1 LYS 82 115.948 16.132 19.400 606 HE2 LYS 82 HE2 LYS 82 115.065 16.699 17.058 607 HE3 LYS 82 HE1 LYS 82 113.458 16.704 17.784 608 HZ1 LYS 82 HZ1 LYS 82 115.743 18.483 18.340 609 HZ2 LYS 82 HZ2 LYS 82 114.511 18.270 19.491 610 HZ3 LYS 82 HZ3 LYS 82 114.144 18.894 17.954 611 H LEU 83 HN LEU 83 112.910 10.717 15.898 612 HA LEU 83 HA LEU 83 113.529 12.048 13.398 613 HB2 LEU 83 HB2 LEU 83 111.746 9.670 14.002 614 HB3 LEU 83 HB1 LEU 83 112.219 10.185 12.383 615 HG LEU 83 HG LEU 83 114.164 9.409 14.577 616 HD11 LEU 83 HD11 LEU 83 113.623 7.828 12.073 617 HD12 LEU 83 HD12 LEU 83 112.614 7.597 13.502 618 HD13 LEU 83 HD13 LEU 83 114.348 7.290 13.588 619 HD21 LEU 83 HD21 LEU 83 115.600 9.225 12.358 620 HD22 LEU 83 HD22 LEU 83 115.391 10.784 13.155 621 HD23 LEU 83 HD23 LEU 83 114.410 10.374 11.747 622 H THR 84 HN THR 84 112.057 13.008 11.926 623 HA THR 84 HA THR 84 109.371 13.686 13.059 624 HB THR 84 HB THR 84 109.587 15.938 12.148 625 HG1 THR 84 HG1 THR 84 110.905 15.361 10.369 626 HG21 THR 84 HG21 THR 84 112.143 15.266 13.624 627 HG22 THR 84 HG22 THR 84 110.570 15.388 14.410 628 HG23 THR 84 HG23 THR 84 111.276 16.802 13.629 629 H ASN 85 HN ASN 85 107.786 14.285 11.321 630 HA ASN 85 HA ASN 85 106.669 13.712 9.332 631 HB2 ASN 85 HB2 ASN 85 109.506 14.046 8.317 632 HB3 ASN 85 HB1 ASN 85 108.107 13.847 7.264 633 HD21 ASN 85 HD21 ASN 85 110.046 16.240 8.279 634 HD22 ASN 85 HD22 ASN 85 108.935 17.515 8.428 635 H ILE 86 HN ILE 86 107.053 11.517 10.863 636 HA ILE 86 HA ILE 86 108.474 9.418 9.412 637 HB ILE 86 HB ILE 86 106.566 9.330 11.764 638 HG12 ILE 86 HG12 ILE 86 109.570 8.941 11.664 639 HG13 ILE 86 HG11 ILE 86 108.810 10.491 12.025 640 HG21 ILE 86 HG21 ILE 86 108.038 7.201 10.248 641 HG22 ILE 86 HG22 ILE 86 106.422 7.152 10.953 642 HG23 ILE 86 HG23 ILE 86 107.843 7.026 11.992 643 HD11 ILE 86 HD11 ILE 86 108.060 8.010 13.564 644 HD12 ILE 86 HD12 ILE 86 107.865 9.700 14.033 645 HD13 ILE 86 HD13 ILE 86 109.469 8.967 14.020 646 H ILE 87 HN ILE 87 107.636 8.098 7.869 647 HA ILE 87 HA ILE 87 104.669 8.119 7.446 648 HB ILE 87 HB ILE 87 106.857 7.970 5.347 649 HG12 ILE 87 HG12 ILE 87 106.630 10.234 6.249 650 HG13 ILE 87 HG11 ILE 87 105.945 10.172 4.625 651 HG21 ILE 87 HG21 ILE 87 104.795 8.301 3.829 652 HG22 ILE 87 HG22 ILE 87 103.848 7.788 5.227 653 HG23 ILE 87 HG23 ILE 87 105.044 6.699 4.523 654 HD11 ILE 87 HD11 ILE 87 104.560 10.457 7.258 655 HD12 ILE 87 HD12 ILE 87 103.722 9.588 5.973 656 HD13 ILE 87 HD13 ILE 87 104.226 11.258 5.723 657 H MET 88 HN MET 88 103.833 6.075 7.726 658 HA MET 88 HA MET 88 105.637 3.762 7.117 659 HB2 MET 88 HB2 MET 88 103.507 3.907 9.272 660 HB3 MET 88 HB1 MET 88 104.540 2.520 8.929 661 HG2 MET 88 HG2 MET 88 106.536 3.882 9.457 662 HG3 MET 88 HG1 MET 88 105.494 5.256 9.821 663 HE1 MET 88 HE1 MET 88 106.221 1.422 12.133 664 HE2 MET 88 HE2 MET 88 106.657 1.846 10.479 665 HE3 MET 88 HE3 MET 88 105.026 1.283 10.836 666 H ASP 89 HN ASP 89 104.871 2.957 5.208 667 HA ASP 89 HA ASP 89 101.908 2.636 4.917 668 HB2 ASP 89 HB2 ASP 89 104.086 3.022 2.845 669 HB3 ASP 89 HB1 ASP 89 102.450 2.510 2.432 670 H HIS 90 HN HIS 90 101.602 0.544 5.677 671 HA HIS 90 HA HIS 90 103.511 -1.581 5.196 672 HB2 HIS 90 HB2 HIS 90 100.649 -1.606 6.183 673 HB3 HIS 90 HB1 HIS 90 101.667 -3.043 6.100 674 HD1 HIS 90 HD1 HIS 90 103.889 -2.996 7.593 675 HD2 HIS 90 HD2 HIS 90 101.142 0.039 8.395 676 HE1 HIS 90 HE1 HIS 90 104.544 -2.009 9.833 677 HE2 HIS 90 HE2 HIS 90 102.879 -0.161 10.330 678 H TYR 91 HN TYR 91 100.523 -0.532 3.599 679 HA TYR 91 HA TYR 91 100.132 -2.845 1.986 680 HB2 TYR 91 HB2 TYR 91 98.427 -1.102 2.134 681 HB3 TYR 91 HB1 TYR 91 99.513 0.058 1.366 682 HD1 TYR 91 HD1 TYR 91 97.847 -3.246 0.817 683 HD2 TYR 91 HD2 TYR 91 99.608 0.236 -0.981 684 HE1 TYR 91 HE1 TYR 91 97.104 -4.025 -1.417 685 HE2 TYR 91 HE2 TYR 91 98.864 -0.542 -3.215 686 HH TYR 91 HH TYR 91 97.718 -3.704 -3.772 687 H ASN 92 HN ASN 92 102.030 0.115 1.347 688 HA ASN 92 HA ASN 92 103.067 -1.088 -1.144 689 HB2 ASN 92 HB2 ASN 92 103.468 1.596 0.198 690 HB3 ASN 92 HB1 ASN 92 104.378 1.106 -1.233 691 HD21 ASN 92 HD21 ASN 92 102.507 3.317 -1.255 692 HD22 ASN 92 HD22 ASN 92 101.228 2.900 -2.291 693 H ASN 93 HN ASN 93 103.771 -1.269 2.102 694 HA ASN 93 HA ASN 93 105.646 -2.002 3.302 695 HB2 ASN 93 HB2 ASN 93 106.260 -3.067 0.535 696 HB3 ASN 93 HB1 ASN 93 107.222 -3.464 1.959 697 HD21 ASN 93 HD21 ASN 93 105.817 -5.519 0.576 698 HD22 ASN 93 HD22 ASN 93 104.553 -6.077 1.563 699 H THR 94 HN THR 94 105.829 0.683 2.660 700 HA THR 94 HA THR 94 108.753 0.955 2.106 701 HB THR 94 HB THR 94 107.626 1.720 0.100 702 HG1 THR 94 HG1 THR 94 109.108 3.240 1.641 703 HG21 THR 94 HG21 THR 94 105.846 3.337 0.126 704 HG22 THR 94 HG22 THR 94 106.039 3.603 1.859 705 HG23 THR 94 HG23 THR 94 105.410 2.067 1.267 706 H PHE 95 HN PHE 95 109.816 2.277 3.558 707 HA PHE 95 HA PHE 95 108.119 3.822 5.482 708 HB2 PHE 95 HB2 PHE 95 110.646 2.257 6.093 709 HB3 PHE 95 HB1 PHE 95 109.721 3.207 7.255 710 HD1 PHE 95 HD1 PHE 95 109.657 0.213 5.067 711 HD2 PHE 95 HD2 PHE 95 107.655 2.392 8.181 712 HE1 PHE 95 HE1 PHE 95 108.163 -1.727 5.464 713 HE2 PHE 95 HE2 PHE 95 106.160 0.452 8.578 714 HZ PHE 95 HZ PHE 95 106.415 -1.607 7.220 715 H TYR 96 HN TYR 96 108.839 5.893 5.949 716 HA TYR 96 HA TYR 96 111.526 6.704 4.919 717 HB2 TYR 96 HB2 TYR 96 108.972 8.307 4.584 718 HB3 TYR 96 HB1 TYR 96 110.580 8.791 4.052 719 HD1 TYR 96 HD2 TYR 96 111.644 7.734 2.118 720 HD2 TYR 96 HD1 TYR 96 107.721 6.566 3.420 721 HE1 TYR 96 HE2 TYR 96 111.275 6.565 -0.038 722 HE2 TYR 96 HE1 TYR 96 107.351 5.400 1.262 723 HH TYR 96 HH TYR 96 108.374 5.711 -1.191 724 H SER 97 HN SER 97 112.538 8.332 6.177 725 HA SER 97 HA SER 97 111.006 9.513 8.421 726 HB2 SER 97 HB2 SER 97 111.986 7.433 9.341 727 HB3 SER 97 HB1 SER 97 113.585 7.962 8.825 728 HG SER 97 HG SER 97 111.856 9.311 10.635 729 H ARG 98 HN ARG 98 111.868 11.527 9.081 730 HA ARG 98 HA ARG 98 113.975 12.594 7.266 731 HB2 ARG 98 HB2 ARG 98 111.805 13.877 8.924 732 HB3 ARG 98 HB1 ARG 98 113.165 14.826 8.328 733 HG2 ARG 98 HG2 ARG 98 111.336 14.974 6.718 734 HG3 ARG 98 HG1 ARG 98 112.645 14.028 6.014 735 HD2 ARG 98 HD2 ARG 98 110.770 12.388 7.533 736 HD3 ARG 98 HD1 ARG 98 109.989 13.230 6.202 737 HE ARG 98 HE ARG 98 112.219 11.215 6.060 738 HH11 ARG 98 HH21 ARG 98 109.899 13.234 4.497 739 HH12 ARG 98 HH22 ARG 98 110.264 12.638 2.911 740 HH21 ARG 98 HH11 ARG 98 112.713 10.443 4.008 741 HH22 ARG 98 HH12 ARG 98 111.858 11.062 2.635 742 H LEU 99 HN LEU 99 115.980 13.032 8.059 743 HA LEU 99 HA LEU 99 116.503 12.579 10.937 744 HB2 LEU 99 HB2 LEU 99 118.361 13.143 8.605 745 HB3 LEU 99 HB1 LEU 99 118.892 12.764 10.239 746 HG LEU 99 HG LEU 99 117.158 10.941 8.550 747 HD11 LEU 99 HD11 LEU 99 119.200 10.834 7.433 748 HD12 LEU 99 HD12 LEU 99 119.432 9.600 8.670 749 HD13 LEU 99 HD13 LEU 99 120.129 11.205 8.886 750 HD21 LEU 99 HD21 LEU 99 118.168 9.316 10.353 751 HD22 LEU 99 HD22 LEU 99 116.788 10.328 10.777 752 HD23 LEU 99 HD23 LEU 99 118.414 10.796 11.278 753 HA PRO 100 HA PRO 100 116.416 16.900 12.092 754 HB2 PRO 100 HB2 PRO 100 118.909 16.157 13.576 755 HB3 PRO 100 HB1 PRO 100 117.472 17.027 14.151 756 HG2 PRO 100 HG2 PRO 100 117.910 14.461 14.761 757 HG3 PRO 100 HG1 PRO 100 116.281 15.108 14.507 758 HD2 PRO 100 HD2 PRO 100 117.863 13.290 12.767 759 HD3 PRO 100 HD1 PRO 100 116.101 13.510 12.861 760 H SER 101 HN SER 101 118.335 18.690 12.315 761 HA SER 101 HA SER 101 119.734 18.565 9.714 762 HB2 SER 101 HB2 SER 101 120.156 20.934 10.050 763 HB3 SER 101 HB1 SER 101 118.466 20.609 10.418 764 HG SER 101 HG SER 101 120.230 20.325 12.526 765 H LEU 102 HN LEU 102 120.421 17.794 12.928 766 HA LEU 102 HA LEU 102 123.347 17.964 12.356 767 HB2 LEU 102 HB2 LEU 102 122.768 19.829 13.841 768 HB3 LEU 102 HB1 LEU 102 121.969 18.716 14.951 769 HG LEU 102 HG LEU 102 124.088 17.578 15.391 770 HD11 LEU 102 HD11 LEU 102 126.165 18.884 14.423 771 HD12 LEU 102 HD12 LEU 102 125.019 19.377 13.176 772 HD13 LEU 102 HD13 LEU 102 125.356 17.666 13.437 773 HD21 LEU 102 HD21 LEU 102 124.374 20.596 15.558 774 HD22 LEU 102 HD22 LEU 102 125.256 19.421 16.533 775 HD23 LEU 102 HD23 LEU 102 123.511 19.592 16.723 776 H ILE 103 HN ILE 103 124.366 16.051 12.724 777 HA ILE 103 HA ILE 103 123.402 14.216 14.823 778 HB ILE 103 HB ILE 103 123.460 13.478 11.882 779 HG12 ILE 103 HG12 ILE 103 121.330 13.235 14.033 780 HG13 ILE 103 HG11 ILE 103 121.346 14.435 12.741 781 HG21 ILE 103 HG21 ILE 103 124.603 11.711 13.082 782 HG22 ILE 103 HG22 ILE 103 122.971 11.151 12.723 783 HG23 ILE 103 HG23 ILE 103 123.373 11.711 14.346 784 HD11 ILE 103 HD11 ILE 103 121.173 12.694 11.051 785 HD12 ILE 103 HD12 ILE 103 119.884 12.467 12.232 786 HD13 ILE 103 HD13 ILE 103 121.313 11.438 12.282 787 H SER 104 HN SER 104 125.331 14.040 15.906 788 HA SER 104 HA SER 104 127.799 13.620 14.270 789 HB2 SER 104 HB2 SER 104 129.043 14.444 16.208 790 HB3 SER 104 HB1 SER 104 127.795 15.608 15.777 791 HG SER 104 HG SER 104 126.475 14.519 17.392 792 H ASP 105 HN ASP 105 125.549 11.888 15.948 793 HA ASP 105 HA ASP 105 127.375 10.119 17.408 794 HB2 ASP 105 HB2 ASP 105 124.411 10.167 16.895 795 HB3 ASP 105 HB1 ASP 105 125.174 8.727 17.568 796 H ASN 106 HN ASN 106 127.732 7.889 16.855 797 HA ASN 106 HA ASN 106 127.627 7.388 13.921 798 HB2 ASN 106 HB2 ASN 106 129.174 6.038 16.157 799 HB3 ASN 106 HB1 ASN 106 129.233 5.536 14.468 800 HD21 ASN 106 HD21 ASN 106 131.387 6.762 16.255 801 HD22 ASN 106 HD22 ASN 106 131.943 8.107 15.381 802 H TRP 107 HN TRP 107 125.250 7.134 15.645 803 HA TRP 107 HA TRP 107 124.788 4.392 16.324 804 HB2 TRP 107 HB2 TRP 107 122.416 5.018 16.446 805 HB3 TRP 107 HB1 TRP 107 123.424 6.232 17.230 806 HD1 TRP 107 HD1 TRP 107 124.100 8.386 15.566 807 HE1 TRP 107 HE1 TRP 107 122.567 9.640 13.913 808 HE3 TRP 107 HE3 TRP 107 120.434 4.886 14.935 809 HZ2 TRP 107 HZ2 TRP 107 120.111 9.213 12.511 810 HZ3 TRP 107 HZ3 TRP 107 118.510 5.335 13.437 811 HH2 TRP 107 HH2 TRP 107 118.346 7.492 12.224 812 H LYS 108 HN LYS 108 123.576 2.798 15.227 813 HA LYS 108 HA LYS 108 123.094 3.257 12.319 814 HB2 LYS 108 HB2 LYS 108 124.355 0.754 13.485 815 HB3 LYS 108 HB1 LYS 108 124.098 1.117 11.779 816 HG2 LYS 108 HG2 LYS 108 125.590 3.139 12.079 817 HG3 LYS 108 HG1 LYS 108 125.981 2.525 13.687 818 HD2 LYS 108 HD2 LYS 108 126.345 0.913 11.146 819 HD3 LYS 108 HD1 LYS 108 127.633 1.858 11.895 820 HE2 LYS 108 HE2 LYS 108 127.139 0.551 14.042 821 HE3 LYS 108 HE1 LYS 108 126.174 -0.530 13.037 822 HZ1 LYS 108 HZ1 LYS 108 128.209 -1.539 12.943 823 HZ2 LYS 108 HZ2 LYS 108 129.075 -0.080 13.033 824 HZ3 LYS 108 HZ3 LYS 108 128.317 -0.533 11.582 825 H PHE 109 HN PHE 109 121.454 1.764 11.448 826 HA PHE 109 HA PHE 109 120.001 0.051 13.333 827 HB2 PHE 109 HB2 PHE 109 117.918 1.226 13.294 828 HB3 PHE 109 HB1 PHE 109 119.141 2.417 13.723 829 HD1 PHE 109 HD2 PHE 109 119.883 4.112 12.097 830 HD2 PHE 109 HD1 PHE 109 116.795 1.283 11.144 831 HE1 PHE 109 HE2 PHE 109 119.220 5.494 10.147 832 HE2 PHE 109 HE1 PHE 109 116.129 2.666 9.196 833 HZ PHE 109 HZ PHE 109 117.341 4.771 8.698 834 H PHE 110 HN PHE 110 118.337 -1.256 12.169 835 HA PHE 110 HA PHE 110 118.359 -0.970 9.225 836 HB2 PHE 110 HB2 PHE 110 119.061 -3.379 8.964 837 HB3 PHE 110 HB1 PHE 110 120.332 -2.308 9.554 838 HD1 PHE 110 HD2 PHE 110 120.780 -2.204 12.061 839 HD2 PHE 110 HD1 PHE 110 118.319 -5.229 10.259 840 HE1 PHE 110 HE2 PHE 110 121.035 -3.619 14.084 841 HE2 PHE 110 HE1 PHE 110 118.575 -6.641 12.281 842 HZ PHE 110 HZ PHE 110 119.932 -5.837 14.193 843 H CYS 111 HN CYS 111 116.799 -2.308 8.155 844 HA CYS 111 HA CYS 111 114.672 -3.420 9.943 845 HB2 CYS 111 HB2 CYS 111 114.385 -1.886 7.342 846 HB3 CYS 111 HB1 CYS 111 113.061 -2.747 8.126 847 H VAL 112 HN VAL 112 113.485 -5.278 8.913 848 HA VAL 112 HA VAL 112 115.075 -6.512 6.704 849 HB VAL 112 HB VAL 112 114.124 -7.826 9.254 850 HG11 VAL 112 HG11 VAL 112 113.698 -9.398 7.493 851 HG12 VAL 112 HG12 VAL 112 115.232 -9.873 8.225 852 HG13 VAL 112 HG13 VAL 112 115.217 -9.005 6.689 853 HG21 VAL 112 HG21 VAL 112 116.256 -6.564 9.376 854 HG22 VAL 112 HG22 VAL 112 116.873 -7.498 8.012 855 HG23 VAL 112 HG23 VAL 112 116.522 -8.300 9.542 856 H CYS 113 HN CYS 113 113.964 -7.913 5.327 857 HA CYS 113 HA CYS 113 110.986 -8.030 5.596 858 HB2 CYS 113 HB2 CYS 113 112.582 -7.607 3.037 859 HB3 CYS 113 HB1 CYS 113 110.833 -7.797 3.130 860 H SER 114 HN SER 114 110.227 -10.183 5.308 861 HA SER 114 HA SER 114 111.769 -12.088 3.729 862 HB2 SER 114 HB2 SER 114 112.302 -13.577 5.692 863 HB3 SER 114 HB1 SER 114 113.221 -12.075 5.656 864 HG SER 114 HG SER 114 112.028 -11.294 7.289 865 H LYS 115 HN LYS 115 110.961 -14.405 4.243 866 HA LYS 115 HA LYS 115 108.238 -14.624 5.308 867 HB2 LYS 115 HB2 LYS 115 108.842 -14.768 2.357 868 HB3 LYS 115 HB1 LYS 115 107.580 -15.788 3.042 869 HG2 LYS 115 HG2 LYS 115 106.573 -13.699 4.055 870 HG3 LYS 115 HG1 LYS 115 107.721 -12.766 3.094 871 HD2 LYS 115 HD2 LYS 115 106.822 -13.676 1.030 872 HD3 LYS 115 HD1 LYS 115 105.779 -14.779 1.925 873 HE2 LYS 115 HE2 LYS 115 105.621 -11.752 1.997 874 HE3 LYS 115 HE1 LYS 115 104.502 -12.820 1.151 875 HZ1 LYS 115 HZ1 LYS 115 104.334 -11.990 3.770 876 HZ2 LYS 115 HZ2 LYS 115 104.823 -13.613 3.859 877 HZ3 LYS 115 HZ3 LYS 115 103.403 -13.196 3.025 878 H ASP 116 HN ASP 116 107.566 -17.035 5.108 879 HA ASP 116 HA ASP 116 109.642 -18.703 6.090 880 HB2 ASP 116 HB2 ASP 116 106.963 -19.313 4.833 881 HB3 ASP 116 HB1 ASP 116 108.034 -20.594 5.403 882 H ASN 117 HN ASN 117 110.894 -20.338 5.051 883 HA ASN 117 HA ASN 117 112.351 -20.961 3.290 884 HB2 ASN 117 HB2 ASN 117 110.205 -22.321 3.020 885 HB3 ASN 117 HB1 ASN 117 109.754 -21.177 1.756 886 HD21 ASN 117 HD21 ASN 117 109.939 -22.858 0.085 887 HD22 ASN 117 HD22 ASN 117 111.460 -23.416 -0.422 888 H GLU 118 HN GLU 118 112.760 -18.379 3.284 889 HA GLU 118 HA GLU 118 112.788 -17.611 0.448 890 HB2 GLU 118 HB2 GLU 118 111.102 -16.179 2.495 891 HB3 GLU 118 HB1 GLU 118 111.773 -15.312 1.116 892 HG2 GLU 118 HG2 GLU 118 110.003 -17.769 0.959 893 HG3 GLU 118 HG1 GLU 118 109.501 -16.115 0.610 894 H LYS 119 HN LYS 119 114.584 -16.351 0.034 895 HA LYS 119 HA LYS 119 116.621 -15.975 1.970 896 HB2 LYS 119 HB2 LYS 119 116.087 -14.483 -0.619 897 HB3 LYS 119 HB1 LYS 119 117.573 -14.331 0.317 898 HG2 LYS 119 HG2 LYS 119 117.976 -16.755 0.079 899 HG3 LYS 119 HG1 LYS 119 116.490 -16.909 -0.860 900 HD2 LYS 119 HD2 LYS 119 117.386 -15.409 -2.578 901 HD3 LYS 119 HD1 LYS 119 118.852 -15.167 -1.628 902 HE2 LYS 119 HE2 LYS 119 119.459 -16.828 -3.199 903 HE3 LYS 119 HE1 LYS 119 119.112 -17.737 -1.728 904 HZ1 LYS 119 HZ1 LYS 119 117.387 -17.395 -4.110 905 HZ2 LYS 119 HZ2 LYS 119 116.784 -17.958 -2.625 906 HZ3 LYS 119 HZ3 LYS 119 117.983 -18.838 -3.447 907 H LYS 120 HN LYS 120 116.953 -14.389 3.504 908 HA LYS 120 HA LYS 120 114.807 -12.420 3.897 909 HB2 LYS 120 HB2 LYS 120 116.101 -11.857 5.978 910 HB3 LYS 120 HB1 LYS 120 115.627 -13.551 5.870 911 HG2 LYS 120 HG2 LYS 120 117.889 -14.083 4.950 912 HG3 LYS 120 HG1 LYS 120 118.351 -12.399 5.198 913 HD2 LYS 120 HD2 LYS 120 117.881 -12.624 7.615 914 HD3 LYS 120 HD1 LYS 120 117.430 -14.310 7.368 915 HE2 LYS 120 HE2 LYS 120 120.146 -13.177 6.647 916 HE3 LYS 120 HE1 LYS 120 119.798 -13.990 8.174 917 HZ1 LYS 120 HZ1 LYS 120 119.060 -15.932 6.874 918 HZ2 LYS 120 HZ2 LYS 120 120.701 -15.564 6.632 919 HZ3 LYS 120 HZ3 LYS 120 119.552 -15.150 5.452 920 H LEU 121 HN LEU 121 115.036 -10.185 3.768 921 HA LEU 121 HA LEU 121 117.527 -9.214 2.418 922 HB2 LEU 121 HB2 LEU 121 114.719 -8.057 2.350 923 HB3 LEU 121 HB1 LEU 121 116.115 -7.415 1.484 924 HG LEU 121 HG LEU 121 115.070 -10.235 1.109 925 HD11 LEU 121 HD11 LEU 121 114.370 -9.117 -1.175 926 HD12 LEU 121 HD12 LEU 121 114.355 -7.637 -0.216 927 HD13 LEU 121 HD13 LEU 121 113.309 -8.986 0.228 928 HD21 LEU 121 HD21 LEU 121 117.167 -8.507 -0.195 929 HD22 LEU 121 HD22 LEU 121 116.396 -9.808 -1.103 930 HD23 LEU 121 HD23 LEU 121 117.301 -10.174 0.367 931 H VAL 122 HN VAL 122 118.774 -7.868 3.667 932 HA VAL 122 HA VAL 122 117.469 -6.604 6.038 933 HB VAL 122 HB VAL 122 120.410 -7.153 5.551 934 HG11 VAL 122 HG11 VAL 122 120.549 -6.686 8.014 935 HG12 VAL 122 HG12 VAL 122 118.863 -6.175 7.969 936 HG13 VAL 122 HG13 VAL 122 120.080 -5.279 7.060 937 HG21 VAL 122 HG21 VAL 122 119.691 -8.730 7.642 938 HG22 VAL 122 HG22 VAL 122 119.704 -9.291 5.970 939 HG23 VAL 122 HG23 VAL 122 118.196 -8.755 6.708 940 H PHE 123 HN PHE 123 117.371 -4.426 6.161 941 HA PHE 123 HA PHE 123 118.867 -2.812 4.129 942 HB2 PHE 123 HB2 PHE 123 116.541 -2.449 3.792 943 HB3 PHE 123 HB1 PHE 123 116.209 -2.437 5.523 944 HD1 PHE 123 HD1 PHE 123 118.270 -0.592 2.983 945 HD2 PHE 123 HD2 PHE 123 115.930 -0.382 6.582 946 HE1 PHE 123 HE1 PHE 123 118.532 1.876 3.010 947 HE2 PHE 123 HE2 PHE 123 116.195 2.084 6.610 948 HZ PHE 123 HZ PHE 123 117.495 3.212 4.824 949 H THR 124 HN THR 124 120.582 -1.676 5.051 950 HA THR 124 HA THR 124 120.215 -0.760 7.870 951 HB THR 124 HB THR 124 121.578 -2.910 7.674 952 HG1 THR 124 HG1 THR 124 121.759 -0.938 9.246 953 HG21 THR 124 HG21 THR 124 123.819 -2.774 6.843 954 HG22 THR 124 HG22 THR 124 123.712 -1.023 6.659 955 HG23 THR 124 HG23 THR 124 122.788 -2.080 5.592 956 H VAL 125 HN VAL 125 121.190 1.158 8.414 957 HA VAL 125 HA VAL 125 122.892 2.529 6.392 958 HB VAL 125 HB VAL 125 121.616 4.532 6.458 959 HG11 VAL 125 HG11 VAL 125 119.692 3.862 5.380 960 HG12 VAL 125 HG12 VAL 125 119.309 2.642 6.593 961 HG13 VAL 125 HG13 VAL 125 120.556 2.325 5.387 962 HG21 VAL 125 HG21 VAL 125 120.227 3.259 8.827 963 HG22 VAL 125 HG22 VAL 125 119.595 4.691 8.014 964 HG23 VAL 125 HG23 VAL 125 121.173 4.747 8.802 965 H GLU 126 HN GLU 126 124.169 4.310 7.433 966 HA GLU 126 HA GLU 126 124.319 4.031 10.406 967 HB2 GLU 126 HB2 GLU 126 126.754 3.960 10.297 968 HB3 GLU 126 HB1 GLU 126 126.097 2.655 9.308 969 HG2 GLU 126 HG2 GLU 126 126.332 4.109 7.296 970 HG3 GLU 126 HG1 GLU 126 127.088 5.341 8.308 971 H ALA 127 HN ALA 127 125.062 5.912 11.502 972 HA ALA 127 HA ALA 127 125.866 8.286 10.000 973 HB1 ALA 127 HB1 ALA 127 123.546 8.594 9.603 974 HB2 ALA 127 HB2 ALA 127 123.896 9.616 10.995 975 HB3 ALA 127 HB3 ALA 127 123.115 8.053 11.225 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 116.403 15.778 -4.985 2 H2 GLU 1 HT2 GLU 1 115.091 14.709 -5.144 3 H3 GLU 1 HT3 GLU 1 115.433 15.829 -6.375 4 HA GLU 1 HA GLU 1 116.733 14.370 -7.381 5 HB2 GLU 1 HB2 GLU 1 118.156 14.342 -4.703 6 HB3 GLU 1 HB1 GLU 1 118.785 13.572 -6.160 7 HG2 GLU 1 HG2 GLU 1 118.800 15.723 -7.328 8 HG3 GLU 1 HG1 GLU 1 118.089 16.514 -5.919 9 H LYS 2 HN LYS 2 117.662 12.509 -4.651 10 HA LYS 2 HA LYS 2 115.406 10.612 -5.017 11 HB2 LYS 2 HB2 LYS 2 118.331 9.893 -5.345 12 HB3 LYS 2 HB1 LYS 2 117.023 8.715 -5.216 13 HG2 LYS 2 HG2 LYS 2 115.943 9.726 -7.213 14 HG3 LYS 2 HG1 LYS 2 117.294 10.851 -7.354 15 HD2 LYS 2 HD2 LYS 2 118.015 9.196 -8.803 16 HD3 LYS 2 HD1 LYS 2 118.723 8.603 -7.299 17 HE2 LYS 2 HE2 LYS 2 117.635 6.695 -8.126 18 HE3 LYS 2 HE1 LYS 2 116.440 7.358 -7.011 19 HZ1 LYS 2 HZ1 LYS 2 116.336 8.387 -9.718 20 HZ2 LYS 2 HZ2 LYS 2 115.074 7.938 -8.673 21 HZ3 LYS 2 HZ3 LYS 2 115.918 6.752 -9.549 22 H VAL 3 HN VAL 3 115.151 9.177 -3.205 23 HA VAL 3 HA VAL 3 116.227 10.298 -0.704 24 HB VAL 3 HB VAL 3 114.229 8.079 -1.222 25 HG11 VAL 3 HG11 VAL 3 115.378 9.276 1.279 26 HG12 VAL 3 HG12 VAL 3 114.993 7.596 0.922 27 HG13 VAL 3 HG13 VAL 3 113.700 8.738 1.278 28 HG21 VAL 3 HG21 VAL 3 113.779 10.628 -1.781 29 HG22 VAL 3 HG22 VAL 3 113.584 10.757 -0.033 30 HG23 VAL 3 HG23 VAL 3 112.551 9.667 -0.957 31 H LYS 4 HN LYS 4 117.742 9.285 0.591 32 HA LYS 4 HA LYS 4 119.298 7.122 -0.531 33 HB2 LYS 4 HB2 LYS 4 119.236 8.170 2.319 34 HB3 LYS 4 HB1 LYS 4 120.486 7.134 1.632 35 HG2 LYS 4 HG2 LYS 4 119.786 9.889 0.582 36 HG3 LYS 4 HG1 LYS 4 121.133 9.549 1.668 37 HD2 LYS 4 HD2 LYS 4 121.866 7.812 -0.108 38 HD3 LYS 4 HD1 LYS 4 120.761 8.663 -1.189 39 HE2 LYS 4 HE2 LYS 4 121.938 10.768 -0.789 40 HE3 LYS 4 HE1 LYS 4 123.025 9.963 0.344 41 HZ1 LYS 4 HZ1 LYS 4 122.734 8.988 -2.425 42 HZ2 LYS 4 HZ2 LYS 4 124.019 8.750 -1.339 43 HZ3 LYS 4 HZ3 LYS 4 123.788 10.267 -2.066 44 H GLY 5 HN GLY 5 118.824 4.987 -0.453 45 HA2 GLY 5 HA2 GLY 5 117.871 3.600 1.816 46 HA3 GLY 5 HA1 GLY 5 116.467 4.013 0.836 47 H CYS 6 HN CYS 6 116.724 1.421 0.996 48 HA CYS 6 HA CYS 6 118.184 0.571 -1.482 49 HB2 CYS 6 HB2 CYS 6 118.851 -0.339 0.876 50 HB3 CYS 6 HB1 CYS 6 117.408 -1.332 0.710 51 H ASP 7 HN ASP 7 116.950 -0.309 -3.052 52 HA ASP 7 HA ASP 7 114.071 -0.844 -2.424 53 HB2 ASP 7 HB2 ASP 7 114.728 0.937 -4.160 54 HB3 ASP 7 HB1 ASP 7 115.230 -0.411 -5.178 55 H PHE 8 HN PHE 8 113.832 -3.013 -2.074 56 HA PHE 8 HA PHE 8 115.509 -4.940 -3.564 57 HB2 PHE 8 HB2 PHE 8 113.365 -5.333 -1.454 58 HB3 PHE 8 HB1 PHE 8 114.321 -6.634 -2.161 59 HD1 PHE 8 HD2 PHE 8 116.929 -6.321 -2.051 60 HD2 PHE 8 HD1 PHE 8 114.130 -4.243 0.457 61 HE1 PHE 8 HE2 PHE 8 118.733 -5.874 -0.409 62 HE2 PHE 8 HE1 PHE 8 115.934 -3.795 2.100 63 HZ PHE 8 HZ PHE 8 118.234 -4.612 1.668 64 H THR 9 HN THR 9 112.768 -3.243 -4.198 65 HA THR 9 HA THR 9 111.354 -5.469 -5.566 66 HB THR 9 HB THR 9 110.500 -2.572 -5.381 67 HG1 THR 9 HG1 THR 9 110.118 -2.934 -3.368 68 HG21 THR 9 HG21 THR 9 109.339 -3.995 -7.035 69 HG22 THR 9 HG22 THR 9 108.264 -3.536 -5.713 70 HG23 THR 9 HG23 THR 9 108.961 -5.156 -5.762 71 H THR 10 HN THR 10 113.492 -2.836 -6.293 72 HA THR 10 HA THR 10 113.395 -3.572 -9.132 73 HB THR 10 HB THR 10 112.686 -0.750 -8.279 74 HG1 THR 10 HG1 THR 10 110.815 -1.786 -9.746 75 HG21 THR 10 HG21 THR 10 113.808 -0.534 -10.322 76 HG22 THR 10 HG22 THR 10 112.127 -0.706 -10.829 77 HG23 THR 10 HG23 THR 10 113.220 -2.087 -10.919 78 H SER 11 HN SER 11 115.465 -3.479 -9.888 79 HA SER 11 HA SER 11 117.605 -2.460 -8.281 80 HB2 SER 11 HB2 SER 11 119.000 -2.854 -10.290 81 HB3 SER 11 HB1 SER 11 117.946 -4.226 -9.958 82 HG SER 11 HG SER 11 116.493 -3.344 -11.514 83 H GLU 12 HN GLU 12 115.550 -1.038 -10.700 84 HA GLU 12 HA GLU 12 117.169 1.481 -10.589 85 HB2 GLU 12 HB2 GLU 12 115.207 0.485 -12.680 86 HB3 GLU 12 HB1 GLU 12 115.977 2.072 -12.706 87 HG2 GLU 12 HG2 GLU 12 117.467 -0.571 -12.702 88 HG3 GLU 12 HG1 GLU 12 117.176 0.419 -14.133 89 H SER 13 HN SER 13 115.979 1.735 -8.439 90 HA SER 13 HA SER 13 113.125 2.120 -8.436 91 HB2 SER 13 HB2 SER 13 113.456 3.037 -6.210 92 HB3 SER 13 HB1 SER 13 114.509 1.638 -6.404 93 HG SER 13 HG SER 13 116.230 2.955 -6.597 94 H THR 14 HN THR 14 111.965 4.093 -8.335 95 HA THR 14 HA THR 14 113.325 6.358 -9.721 96 HB THR 14 HB THR 14 111.237 5.433 -10.733 97 HG1 THR 14 HG1 THR 14 111.790 7.962 -10.115 98 HG21 THR 14 HG21 THR 14 109.221 5.335 -9.603 99 HG22 THR 14 HG22 THR 14 109.654 6.646 -8.508 100 HG23 THR 14 HG23 THR 14 110.329 5.035 -8.264 101 H ILE 15 HN ILE 15 112.711 5.356 -6.674 102 HA ILE 15 HA ILE 15 112.360 8.155 -5.672 103 HB ILE 15 HB ILE 15 111.316 6.972 -3.628 104 HG12 ILE 15 HG12 ILE 15 110.687 4.836 -5.664 105 HG13 ILE 15 HG11 ILE 15 112.091 4.693 -4.607 106 HG21 ILE 15 HG21 ILE 15 109.098 6.713 -4.964 107 HG22 ILE 15 HG22 ILE 15 110.045 7.262 -6.346 108 HG23 ILE 15 HG23 ILE 15 109.868 8.299 -4.931 109 HD11 ILE 15 HD11 ILE 15 110.613 4.962 -2.632 110 HD12 ILE 15 HD12 ILE 15 110.157 3.560 -3.602 111 HD13 ILE 15 HD13 ILE 15 109.217 5.048 -3.707 112 H PHE 16 HN PHE 16 114.165 5.191 -5.527 113 HA PHE 16 HA PHE 16 115.763 6.313 -3.255 114 HB2 PHE 16 HB2 PHE 16 115.226 3.460 -4.088 115 HB3 PHE 16 HB1 PHE 16 116.538 3.890 -2.993 116 HD1 PHE 16 HD2 PHE 16 115.917 5.352 -0.925 117 HD2 PHE 16 HD1 PHE 16 113.055 3.145 -3.245 118 HE1 PHE 16 HE2 PHE 16 114.316 5.437 0.964 119 HE2 PHE 16 HE1 PHE 16 111.453 3.248 -1.359 120 HZ PHE 16 HZ PHE 16 112.082 4.389 0.747 121 H SER 17 HN SER 17 117.980 6.418 -3.466 122 HA SER 17 HA SER 17 119.030 6.624 -6.155 123 HB2 SER 17 HB2 SER 17 120.232 6.842 -3.407 124 HB3 SER 17 HB1 SER 17 121.258 6.853 -4.839 125 HG SER 17 HG SER 17 120.711 8.862 -5.035 126 H LYS 18 HN LYS 18 118.802 3.983 -3.925 127 HA LYS 18 HA LYS 18 120.563 2.387 -5.747 128 HB2 LYS 18 HB2 LYS 18 121.588 3.099 -3.459 129 HB3 LYS 18 HB1 LYS 18 120.532 1.856 -2.791 130 HG2 LYS 18 HG2 LYS 18 121.514 0.170 -4.250 131 HG3 LYS 18 HG1 LYS 18 122.500 1.391 -5.051 132 HD2 LYS 18 HD2 LYS 18 122.668 0.940 -2.071 133 HD3 LYS 18 HD1 LYS 18 123.630 -0.016 -3.198 134 HE2 LYS 18 HE2 LYS 18 124.422 2.219 -4.180 135 HE3 LYS 18 HE1 LYS 18 123.709 2.978 -2.758 136 HZ1 LYS 18 HZ1 LYS 18 125.939 2.574 -2.233 137 HZ2 LYS 18 HZ2 LYS 18 125.898 0.994 -2.856 138 HZ3 LYS 18 HZ3 LYS 18 125.066 1.367 -1.422 139 H GLY 19 HN GLY 19 119.918 0.260 -6.085 140 HA2 GLY 19 HA2 GLY 19 117.735 -0.914 -4.522 141 HA3 GLY 19 HA1 GLY 19 117.276 -0.464 -6.165 142 H TYR 20 HN TYR 20 117.088 -3.089 -5.642 143 HA TYR 20 HA TYR 20 119.453 -4.254 -7.057 144 HB2 TYR 20 HB2 TYR 20 117.972 -5.335 -4.652 145 HB3 TYR 20 HB1 TYR 20 118.959 -6.362 -5.691 146 HD1 TYR 20 HD1 TYR 20 119.080 -3.243 -3.636 147 HD2 TYR 20 HD2 TYR 20 121.296 -6.464 -5.413 148 HE1 TYR 20 HE1 TYR 20 121.118 -2.507 -2.433 149 HE2 TYR 20 HE2 TYR 20 123.333 -5.727 -4.208 150 HH TYR 20 HH TYR 20 123.219 -3.070 -1.863 151 H SER 21 HN SER 21 118.875 -6.328 -8.160 152 HA SER 21 HA SER 21 116.162 -6.098 -9.353 153 HB2 SER 21 HB2 SER 21 117.890 -6.250 -11.006 154 HB3 SER 21 HB1 SER 21 118.665 -7.590 -10.168 155 HG SER 21 HG SER 21 116.621 -7.595 -11.952 156 H ILE 22 HN ILE 22 114.754 -7.964 -9.448 157 HA ILE 22 HA ILE 22 114.654 -9.520 -7.072 158 HB ILE 22 HB ILE 22 112.941 -10.863 -8.239 159 HG12 ILE 22 HG12 ILE 22 113.705 -9.225 -10.678 160 HG13 ILE 22 HG11 ILE 22 114.135 -10.919 -10.446 161 HG21 ILE 22 HG21 ILE 22 112.828 -7.879 -8.770 162 HG22 ILE 22 HG22 ILE 22 112.281 -8.705 -7.311 163 HG23 ILE 22 HG23 ILE 22 111.438 -8.963 -8.839 164 HD11 ILE 22 HD11 ILE 22 112.149 -10.973 -11.745 165 HD12 ILE 22 HD12 ILE 22 111.380 -9.727 -10.761 166 HD13 ILE 22 HD13 ILE 22 111.628 -11.344 -10.101 167 H ASN 23 HN ASN 23 116.182 -10.126 -10.181 168 HA ASN 23 HA ASN 23 116.697 -12.925 -9.784 169 HB2 ASN 23 HB2 ASN 23 116.905 -11.890 -11.995 170 HB3 ASN 23 HB1 ASN 23 118.228 -10.878 -11.415 171 HD21 ASN 23 HD21 ASN 23 119.302 -12.160 -13.347 172 HD22 ASN 23 HD22 ASN 23 120.064 -13.618 -12.932 173 H GLU 24 HN GLU 24 118.497 -9.996 -8.939 174 HA GLU 24 HA GLU 24 120.869 -11.330 -8.029 175 HB2 GLU 24 HB2 GLU 24 119.676 -8.643 -7.304 176 HB3 GLU 24 HB1 GLU 24 121.261 -9.186 -6.754 177 HG2 GLU 24 HG2 GLU 24 122.012 -9.431 -9.074 178 HG3 GLU 24 HG1 GLU 24 120.415 -8.964 -9.657 179 H ILE 25 HN ILE 25 117.926 -10.276 -6.284 180 HA ILE 25 HA ILE 25 118.977 -11.442 -3.791 181 HB ILE 25 HB ILE 25 116.747 -10.745 -2.866 182 HG12 ILE 25 HG12 ILE 25 116.359 -9.488 -5.591 183 HG13 ILE 25 HG11 ILE 25 115.559 -10.979 -5.093 184 HG21 ILE 25 HG21 ILE 25 118.857 -9.265 -3.076 185 HG22 ILE 25 HG22 ILE 25 117.322 -8.451 -2.777 186 HG23 ILE 25 HG23 ILE 25 118.006 -8.472 -4.402 187 HD11 ILE 25 HD11 ILE 25 114.122 -8.980 -4.721 188 HD12 ILE 25 HD12 ILE 25 115.348 -8.325 -3.635 189 HD13 ILE 25 HD13 ILE 25 114.500 -9.813 -3.213 190 H SER 26 HN SER 26 117.056 -12.441 -6.475 191 HA SER 26 HA SER 26 115.753 -14.626 -4.999 192 HB2 SER 26 HB2 SER 26 114.565 -13.559 -6.871 193 HB3 SER 26 HB1 SER 26 115.861 -14.024 -7.967 194 HG SER 26 HG SER 26 114.753 -15.796 -8.177 195 H ASN 27 HN ASN 27 117.562 -14.839 -8.055 196 HA ASN 27 HA ASN 27 118.569 -17.103 -8.559 197 HB2 ASN 27 HB2 ASN 27 119.977 -14.991 -8.823 198 HB3 ASN 27 HB1 ASN 27 120.669 -15.368 -7.244 199 HD21 ASN 27 HD21 ASN 27 122.787 -15.752 -8.300 200 HD22 ASN 27 HD22 ASN 27 123.060 -17.188 -9.161 201 H LYS 28 HN LYS 28 117.945 -18.787 -7.193 202 HA LYS 28 HA LYS 28 118.540 -18.886 -4.379 203 HB2 LYS 28 HB2 LYS 28 117.967 -21.168 -6.294 204 HB3 LYS 28 HB1 LYS 28 117.864 -21.243 -4.536 205 HG2 LYS 28 HG2 LYS 28 116.230 -19.353 -6.253 206 HG3 LYS 28 HG1 LYS 28 115.638 -20.899 -5.645 207 HD2 LYS 28 HD2 LYS 28 116.344 -20.003 -3.310 208 HD3 LYS 28 HD1 LYS 28 116.367 -18.421 -4.089 209 HE2 LYS 28 HE2 LYS 28 113.993 -20.294 -4.173 210 HE3 LYS 28 HE1 LYS 28 114.170 -18.982 -3.008 211 HZ1 LYS 28 HZ1 LYS 28 114.625 -17.635 -5.206 212 HZ2 LYS 28 HZ2 LYS 28 113.047 -17.899 -4.635 213 HZ3 LYS 28 HZ3 LYS 28 113.673 -18.863 -5.886 214 H SER 29 HN SER 29 120.881 -18.258 -6.002 215 HA SER 29 HA SER 29 122.615 -20.502 -6.286 216 HB2 SER 29 HB2 SER 29 123.083 -18.292 -7.300 217 HB3 SER 29 HB1 SER 29 123.314 -17.608 -5.694 218 HG SER 29 HG SER 29 125.312 -18.202 -6.069 219 H SER 30 HN SER 30 121.827 -21.503 -4.151 220 HA SER 30 HA SER 30 122.252 -20.689 -1.580 221 HB2 SER 30 HB2 SER 30 123.330 -23.331 -2.597 222 HB3 SER 30 HB1 SER 30 122.768 -22.970 -0.967 223 HG SER 30 HG SER 30 120.742 -23.054 -1.635 224 H ASN 31 HN ASN 31 124.746 -21.167 -3.980 225 HA ASN 31 HA ASN 31 126.993 -21.233 -2.172 226 HB2 ASN 31 HB2 ASN 31 126.739 -20.456 -5.090 227 HB3 ASN 31 HB1 ASN 31 128.283 -20.509 -4.236 228 HD21 ASN 31 HD21 ASN 31 127.722 -22.265 -6.442 229 HD22 ASN 31 HD22 ASN 31 127.646 -23.852 -5.846 230 H ASN 32 HN ASN 32 125.044 -19.117 -1.549 231 HA ASN 32 HA ASN 32 126.943 -16.885 -1.352 232 HB2 ASN 32 HB2 ASN 32 125.885 -16.436 -3.521 233 HB3 ASN 32 HB1 ASN 32 124.286 -16.577 -2.787 234 HD21 ASN 32 HD21 ASN 32 124.900 -14.152 -4.020 235 HD22 ASN 32 HD22 ASN 32 125.149 -12.950 -2.848 236 H GLN 33 HN GLN 33 126.754 -16.245 0.738 237 HA GLN 33 HA GLN 33 125.063 -17.083 2.690 238 HB2 GLN 33 HB2 GLN 33 125.249 -14.770 3.733 239 HB3 GLN 33 HB1 GLN 33 126.780 -15.515 3.274 240 HG2 GLN 33 HG2 GLN 33 126.672 -14.257 1.103 241 HG3 GLN 33 HG1 GLN 33 125.242 -13.422 1.710 242 HE21 GLN 33 HE21 GLN 33 125.951 -11.338 2.239 243 HE22 GLN 33 HE22 GLN 33 127.310 -10.999 3.197 244 H GLN 34 HN GLN 34 122.890 -17.188 2.875 245 HA GLN 34 HA GLN 34 121.140 -15.774 1.060 246 HB2 GLN 34 HB2 GLN 34 119.327 -16.741 2.574 247 HB3 GLN 34 HB1 GLN 34 120.399 -17.919 1.817 248 HG2 GLN 34 HG2 GLN 34 121.738 -18.047 3.866 249 HG3 GLN 34 HG1 GLN 34 120.727 -16.816 4.623 250 HE21 GLN 34 HE21 GLN 34 119.878 -18.225 6.283 251 HE22 GLN 34 HE22 GLN 34 118.835 -19.515 5.924 252 H ASP 35 HN ASP 35 122.758 -13.960 2.552 253 HA ASP 35 HA ASP 35 120.624 -12.494 4.053 254 HB2 ASP 35 HB2 ASP 35 123.540 -12.844 4.798 255 HB3 ASP 35 HB1 ASP 35 122.492 -11.627 5.527 256 H ILE 36 HN ILE 36 120.169 -10.814 2.678 257 HA ILE 36 HA ILE 36 122.439 -9.498 1.260 258 HB ILE 36 HB ILE 36 119.458 -9.049 0.931 259 HG12 ILE 36 HG12 ILE 36 120.007 -11.341 0.311 260 HG13 ILE 36 HG11 ILE 36 119.761 -10.400 -1.160 261 HG21 ILE 36 HG21 ILE 36 120.728 -7.152 0.154 262 HG22 ILE 36 HG22 ILE 36 120.248 -8.077 -1.269 263 HG23 ILE 36 HG23 ILE 36 121.896 -8.199 -0.653 264 HD11 ILE 36 HD11 ILE 36 122.350 -9.999 -1.027 265 HD12 ILE 36 HD12 ILE 36 121.751 -11.542 -1.634 266 HD13 ILE 36 HD13 ILE 36 122.333 -11.414 0.024 267 H VAL 37 HN VAL 37 123.234 -7.627 2.096 268 HA VAL 37 HA VAL 37 121.486 -6.102 3.995 269 HB VAL 37 HB VAL 37 124.462 -6.617 4.059 270 HG11 VAL 37 HG11 VAL 37 122.782 -4.509 5.400 271 HG12 VAL 37 HG12 VAL 37 124.362 -4.342 4.635 272 HG13 VAL 37 HG13 VAL 37 124.220 -5.140 6.202 273 HG21 VAL 37 HG21 VAL 37 124.033 -7.870 5.954 274 HG22 VAL 37 HG22 VAL 37 122.505 -8.127 5.112 275 HG23 VAL 37 HG23 VAL 37 122.615 -6.920 6.395 276 H CYS 38 HN CYS 38 121.126 -4.007 3.482 277 HA CYS 38 HA CYS 38 122.714 -2.851 1.232 278 HB2 CYS 38 HB2 CYS 38 120.063 -2.040 2.470 279 HB3 CYS 38 HB1 CYS 38 120.893 -1.127 1.210 280 H THR 39 HN THR 39 124.555 -1.991 2.256 281 HA THR 39 HA THR 39 124.152 -0.387 4.711 282 HB THR 39 HB THR 39 126.668 -1.265 3.259 283 HG1 THR 39 HG1 THR 39 125.082 -2.296 5.259 284 HG21 THR 39 HG21 THR 39 127.687 -0.514 5.519 285 HG22 THR 39 HG22 THR 39 126.200 0.413 5.718 286 HG23 THR 39 HG23 THR 39 127.265 0.737 4.351 287 H VAL 40 HN VAL 40 123.839 1.747 4.522 288 HA VAL 40 HA VAL 40 125.286 3.220 2.370 289 HB VAL 40 HB VAL 40 123.193 4.526 1.883 290 HG11 VAL 40 HG11 VAL 40 122.372 2.957 0.323 291 HG12 VAL 40 HG12 VAL 40 122.693 1.592 1.392 292 HG13 VAL 40 HG13 VAL 40 124.030 2.428 0.603 293 HG21 VAL 40 HG21 VAL 40 121.943 2.323 3.557 294 HG22 VAL 40 HG22 VAL 40 121.039 3.473 2.573 295 HG23 VAL 40 HG23 VAL 40 121.977 4.041 3.954 296 H LYS 41 HN LYS 41 125.580 5.491 2.896 297 HA LYS 41 HA LYS 41 125.449 5.975 5.821 298 HB2 LYS 41 HB2 LYS 41 126.997 7.786 5.418 299 HB3 LYS 41 HB1 LYS 41 127.577 6.374 4.534 300 HG2 LYS 41 HG2 LYS 41 126.369 7.268 2.499 301 HG3 LYS 41 HG1 LYS 41 126.070 8.748 3.410 302 HD2 LYS 41 HD2 LYS 41 128.829 7.589 2.959 303 HD3 LYS 41 HD1 LYS 41 128.118 8.847 1.948 304 HE2 LYS 41 HE2 LYS 41 127.748 10.161 4.124 305 HE3 LYS 41 HE1 LYS 41 128.837 8.997 4.879 306 HZ1 LYS 41 HZ1 LYS 41 129.757 10.142 2.379 307 HZ2 LYS 41 HZ2 LYS 41 130.612 9.821 3.812 308 HZ3 LYS 41 HZ3 LYS 41 129.662 11.223 3.682 309 H ALA 42 HN ALA 42 124.025 7.408 6.698 310 HA ALA 42 HA ALA 42 122.210 8.842 4.810 311 HB1 ALA 42 HB1 ALA 42 120.630 8.916 6.608 312 HB2 ALA 42 HB2 ALA 42 121.844 8.434 7.788 313 HB3 ALA 42 HB3 ALA 42 121.278 7.279 6.580 314 H HIS 43 HN HIS 43 121.857 11.088 5.028 315 HA HIS 43 HA HIS 43 123.848 12.513 6.760 316 HB2 HIS 43 HB2 HIS 43 124.000 12.645 4.156 317 HB3 HIS 43 HB1 HIS 43 122.611 13.722 4.298 318 HD1 HIS 43 HD1 HIS 43 122.991 16.050 5.287 319 HD2 HIS 43 HD2 HIS 43 126.407 13.657 5.390 320 HE1 HIS 43 HE1 HIS 43 124.914 17.571 5.929 321 HE2 HIS 43 HE2 HIS 43 126.997 16.125 5.994 322 H ALA 44 HN ALA 44 123.121 14.412 7.820 323 HA ALA 44 HA ALA 44 120.520 14.345 8.907 324 HB1 ALA 44 HB1 ALA 44 122.706 16.367 8.786 325 HB2 ALA 44 HB2 ALA 44 121.903 15.668 10.190 326 HB3 ALA 44 HB3 ALA 44 121.111 16.937 9.263 327 H ASN 45 HN ASN 45 121.643 15.722 5.911 328 HA ASN 45 HA ASN 45 119.063 17.150 5.534 329 HB2 ASN 45 HB2 ASN 45 120.150 18.084 3.510 330 HB3 ASN 45 HB1 ASN 45 121.113 18.381 4.959 331 HD21 ASN 45 HD21 ASN 45 123.190 18.396 3.921 332 HD22 ASN 45 HD22 ASN 45 123.851 17.024 3.172 333 H ASP 46 HN ASP 46 120.765 14.297 4.557 334 HA ASP 46 HA ASP 46 119.223 13.831 2.131 335 HB2 ASP 46 HB2 ASP 46 121.079 12.150 3.810 336 HB3 ASP 46 HB1 ASP 46 120.176 11.452 2.469 337 H LEU 47 HN LEU 47 117.300 12.697 1.927 338 HA LEU 47 HA LEU 47 115.781 12.134 4.353 339 HB2 LEU 47 HB2 LEU 47 115.187 11.531 1.433 340 HB3 LEU 47 HB1 LEU 47 114.039 11.338 2.757 341 HG LEU 47 HG LEU 47 115.398 13.953 2.056 342 HD11 LEU 47 HD11 LEU 47 113.906 13.275 0.241 343 HD12 LEU 47 HD12 LEU 47 113.159 14.586 1.156 344 HD13 LEU 47 HD13 LEU 47 112.621 12.924 1.397 345 HD21 LEU 47 HD21 LEU 47 113.282 14.703 3.451 346 HD22 LEU 47 HD22 LEU 47 114.738 14.161 4.284 347 HD23 LEU 47 HD23 LEU 47 113.373 13.061 4.088 348 H ILE 48 HN ILE 48 115.208 10.029 5.125 349 HA ILE 48 HA ILE 48 116.819 7.792 3.927 350 HB ILE 48 HB ILE 48 116.963 6.860 6.207 351 HG12 ILE 48 HG12 ILE 48 115.633 9.454 7.056 352 HG13 ILE 48 HG11 ILE 48 114.847 7.877 7.056 353 HG21 ILE 48 HG21 ILE 48 118.455 8.605 7.163 354 HG22 ILE 48 HG22 ILE 48 117.869 9.740 5.948 355 HG23 ILE 48 HG23 ILE 48 118.770 8.305 5.455 356 HD11 ILE 48 HD11 ILE 48 117.365 8.524 8.609 357 HD12 ILE 48 HD12 ILE 48 116.445 7.019 8.673 358 HD13 ILE 48 HD13 ILE 48 115.742 8.511 9.298 359 H GLY 49 HN GLY 49 115.791 5.854 3.596 360 HA2 GLY 49 HA2 GLY 49 113.362 5.003 4.825 361 HA3 GLY 49 HA1 GLY 49 112.946 5.824 3.319 362 H PHE 50 HN PHE 50 112.191 3.411 2.984 363 HA PHE 50 HA PHE 50 114.009 2.240 1.078 364 HB2 PHE 50 HB2 PHE 50 114.552 0.169 2.197 365 HB3 PHE 50 HB1 PHE 50 115.063 1.500 3.236 366 HD1 PHE 50 HD2 PHE 50 113.839 2.047 5.287 367 HD2 PHE 50 HD1 PHE 50 112.638 -1.222 2.775 368 HE1 PHE 50 HE2 PHE 50 112.398 1.177 7.109 369 HE2 PHE 50 HE1 PHE 50 111.197 -2.093 4.595 370 HZ PHE 50 HZ PHE 50 111.081 -0.900 6.764 371 H LYS 51 HN LYS 51 113.093 0.064 0.282 372 HA LYS 51 HA LYS 51 110.185 -0.218 0.847 373 HB2 LYS 51 HB2 LYS 51 110.278 1.353 -1.021 374 HB3 LYS 51 HB1 LYS 51 111.335 0.264 -1.918 375 HG2 LYS 51 HG2 LYS 51 109.564 -1.435 -1.977 376 HG3 LYS 51 HG1 LYS 51 108.511 -0.390 -1.021 377 HD2 LYS 51 HD2 LYS 51 108.588 1.315 -2.811 378 HD3 LYS 51 HD1 LYS 51 109.617 0.252 -3.772 379 HE2 LYS 51 HE2 LYS 51 106.846 -0.494 -2.798 380 HE3 LYS 51 HE1 LYS 51 107.194 0.127 -4.411 381 HZ1 LYS 51 HZ1 LYS 51 108.390 -2.322 -3.230 382 HZ2 LYS 51 HZ2 LYS 51 108.655 -1.734 -4.801 383 HZ3 LYS 51 HZ3 LYS 51 107.118 -2.302 -4.351 384 H CYS 52 HN CYS 52 109.424 -2.316 0.495 385 HA CYS 52 HA CYS 52 111.412 -4.309 -0.504 386 HB2 CYS 52 HB2 CYS 52 109.459 -4.521 1.814 387 HB3 CYS 52 HB1 CYS 52 110.335 -5.899 1.152 388 HA PRO 53 HA PRO 53 108.370 -5.522 -3.482 389 HB2 PRO 53 HB2 PRO 53 108.419 -8.326 -3.063 390 HB3 PRO 53 HB1 PRO 53 109.423 -7.412 -4.202 391 HG2 PRO 53 HG2 PRO 53 110.074 -8.407 -1.490 392 HG3 PRO 53 HG1 PRO 53 111.119 -8.218 -2.906 393 HD2 PRO 53 HD2 PRO 53 111.251 -6.522 -0.827 394 HD3 PRO 53 HD1 PRO 53 111.475 -5.955 -2.498 395 H SER 54 HN SER 54 106.160 -6.026 -3.585 396 HA SER 54 HA SER 54 104.702 -5.949 -1.097 397 HB2 SER 54 HB2 SER 54 103.926 -6.262 -3.985 398 HB3 SER 54 HB1 SER 54 102.724 -6.450 -2.712 399 HG SER 54 HG SER 54 104.430 -4.211 -3.115 400 H ASN 55 HN ASN 55 106.090 -8.548 -2.820 401 HA ASN 55 HA ASN 55 104.092 -10.508 -1.856 402 HB2 ASN 55 HB2 ASN 55 106.665 -10.873 -3.423 403 HB3 ASN 55 HB1 ASN 55 105.517 -12.158 -3.046 404 HD21 ASN 55 HD21 ASN 55 106.375 -10.291 -5.576 405 HD22 ASN 55 HD22 ASN 55 104.872 -10.084 -6.338 406 H TYR 56 HN TYR 56 106.614 -8.920 -0.471 407 HA TYR 56 HA TYR 56 107.457 -11.287 1.154 408 HB2 TYR 56 HB2 TYR 56 108.838 -8.725 0.429 409 HB3 TYR 56 HB1 TYR 56 109.330 -9.629 1.861 410 HD1 TYR 56 HD1 TYR 56 108.527 -10.208 -1.765 411 HD2 TYR 56 HD2 TYR 56 110.919 -11.312 1.620 412 HE1 TYR 56 HE1 TYR 56 109.825 -11.764 -3.192 413 HE2 TYR 56 HE2 TYR 56 112.219 -12.873 0.198 414 HH TYR 56 HH TYR 56 111.808 -14.153 -1.969 415 H SER 57 HN SER 57 107.903 -10.776 3.516 416 HA SER 57 HA SER 57 105.723 -8.993 4.522 417 HB2 SER 57 HB2 SER 57 105.550 -11.288 5.304 418 HB3 SER 57 HB1 SER 57 107.234 -11.282 5.818 419 HG SER 57 HG SER 57 105.732 -9.219 6.834 420 H VAL 58 HN VAL 58 106.292 -7.144 5.619 421 HA VAL 58 HA VAL 58 109.175 -6.611 5.960 422 HB VAL 58 HB VAL 58 108.589 -4.329 6.217 423 HG11 VAL 58 HG11 VAL 58 106.346 -5.258 4.440 424 HG12 VAL 58 HG12 VAL 58 108.023 -5.531 3.969 425 HG13 VAL 58 HG13 VAL 58 107.436 -3.888 4.224 426 HG21 VAL 58 HG21 VAL 58 106.043 -3.776 6.437 427 HG22 VAL 58 HG22 VAL 58 106.926 -4.284 7.877 428 HG23 VAL 58 HG23 VAL 58 105.903 -5.437 7.017 429 H GLU 59 HN GLU 59 110.151 -7.090 7.818 430 HA GLU 59 HA GLU 59 108.592 -6.911 10.363 431 HB2 GLU 59 HB2 GLU 59 110.571 -8.977 9.423 432 HB3 GLU 59 HB1 GLU 59 110.337 -8.684 11.146 433 HG2 GLU 59 HG2 GLU 59 108.152 -9.468 11.128 434 HG3 GLU 59 HG1 GLU 59 107.922 -9.096 9.417 435 HA PRO 60 HA PRO 60 111.994 -4.035 11.055 436 HB2 PRO 60 HB2 PRO 60 111.271 -3.139 13.510 437 HB3 PRO 60 HB1 PRO 60 110.394 -2.670 12.039 438 HG2 PRO 60 HG2 PRO 60 109.691 -4.707 14.094 439 HG3 PRO 60 HG1 PRO 60 108.649 -3.547 13.252 440 HD2 PRO 60 HD2 PRO 60 108.863 -6.202 12.543 441 HD3 PRO 60 HD1 PRO 60 108.391 -4.909 11.419 442 H HIS 61 HN HIS 61 113.970 -4.952 11.501 443 HA HIS 61 HA HIS 61 114.239 -6.730 13.862 444 HB2 HIS 61 HB2 HIS 61 115.233 -7.207 11.505 445 HB3 HIS 61 HB1 HIS 61 116.466 -6.029 11.958 446 HD1 HIS 61 HD1 HIS 61 117.181 -6.609 14.747 447 HD2 HIS 61 HD2 HIS 61 116.217 -9.706 12.124 448 HE1 HIS 61 HE1 HIS 61 118.196 -8.717 15.722 449 HE2 HIS 61 HE2 HIS 61 117.615 -10.608 14.134 450 H ASP 62 HN ASP 62 114.960 -3.550 12.730 451 HA ASP 62 HA ASP 62 115.692 -2.621 15.357 452 HB2 ASP 62 HB2 ASP 62 117.829 -3.741 14.715 453 HB3 ASP 62 HB1 ASP 62 117.919 -2.697 13.295 454 H CYS 63 HN CYS 63 113.783 -1.940 13.384 455 HA CYS 63 HA CYS 63 114.573 0.251 11.727 456 HB2 CYS 63 HB2 CYS 63 111.880 -0.484 12.905 457 HB3 CYS 63 HB1 CYS 63 112.112 0.783 11.703 458 H PHE 64 HN PHE 64 112.570 2.234 12.592 459 HA PHE 64 HA PHE 64 114.118 3.354 14.888 460 HB2 PHE 64 HB2 PHE 64 113.129 5.561 14.034 461 HB3 PHE 64 HB1 PHE 64 114.382 4.803 13.055 462 HD1 PHE 64 HD2 PHE 64 113.649 3.282 11.123 463 HD2 PHE 64 HD1 PHE 64 111.008 6.018 13.120 464 HE1 PHE 64 HE2 PHE 64 112.101 3.199 9.187 465 HE2 PHE 64 HE1 PHE 64 109.463 5.936 11.182 466 HZ PHE 64 HZ PHE 64 110.007 4.528 9.218 467 H VAL 65 HN VAL 65 110.749 3.591 13.611 468 HA VAL 65 HA VAL 65 109.550 4.657 15.897 469 HB VAL 65 HB VAL 65 108.504 2.555 13.987 470 HG11 VAL 65 HG11 VAL 65 107.265 2.139 15.983 471 HG12 VAL 65 HG12 VAL 65 106.241 3.203 15.019 472 HG13 VAL 65 HG13 VAL 65 107.168 3.857 16.369 473 HG21 VAL 65 HG21 VAL 65 108.942 5.058 13.389 474 HG22 VAL 65 HG22 VAL 65 107.521 5.377 14.382 475 HG23 VAL 65 HG23 VAL 65 107.386 4.352 12.953 476 H SER 66 HN SER 66 109.440 1.143 15.278 477 HA SER 66 HA SER 66 110.260 0.661 18.088 478 HB2 SER 66 HB2 SER 66 107.770 0.678 18.066 479 HB3 SER 66 HB1 SER 66 107.790 -0.568 16.822 480 HG SER 66 HG SER 66 109.210 -1.694 18.478 481 H ALA 67 HN ALA 67 111.684 -1.074 18.170 482 HA ALA 67 HA ALA 67 111.513 -3.295 16.319 483 HB1 ALA 67 HB1 ALA 67 113.837 -1.412 15.874 484 HB2 ALA 67 HB2 ALA 67 112.394 -1.425 14.865 485 HB3 ALA 67 HB3 ALA 67 113.428 -2.849 14.938 486 H PHE 68 HN PHE 68 113.685 -4.580 16.432 487 HA PHE 68 HA PHE 68 114.417 -4.734 19.293 488 HB2 PHE 68 HB2 PHE 68 115.391 -6.582 17.107 489 HB3 PHE 68 HB1 PHE 68 115.220 -6.920 18.829 490 HD1 PHE 68 HD1 PHE 68 113.232 -6.056 15.786 491 HD2 PHE 68 HD2 PHE 68 113.242 -7.912 19.657 492 HE1 PHE 68 HE1 PHE 68 110.946 -6.918 15.373 493 HE2 PHE 68 HE2 PHE 68 110.952 -8.775 19.243 494 HZ PHE 68 HZ PHE 68 109.805 -8.274 17.093 495 H ASN 69 HN ASN 69 116.549 -4.375 20.023 496 HA ASN 69 HA ASN 69 118.244 -2.802 18.215 497 HB2 ASN 69 HB2 ASN 69 118.455 -3.585 21.127 498 HB3 ASN 69 HB1 ASN 69 119.747 -2.723 20.291 499 HD21 ASN 69 HD21 ASN 69 118.330 -1.499 22.451 500 HD22 ASN 69 HD22 ASN 69 117.413 -0.212 21.830 501 H LEU 70 HN LEU 70 120.799 -3.443 18.873 502 HA LEU 70 HA LEU 70 121.293 -5.805 17.309 503 HB2 LEU 70 HB2 LEU 70 123.025 -4.018 19.017 504 HB3 LEU 70 HB1 LEU 70 123.681 -5.483 18.287 505 HG LEU 70 HG LEU 70 122.863 -4.671 16.057 506 HD11 LEU 70 HD11 LEU 70 121.114 -3.171 16.593 507 HD12 LEU 70 HD12 LEU 70 122.422 -2.120 16.044 508 HD13 LEU 70 HD13 LEU 70 122.102 -2.303 17.769 509 HD21 LEU 70 HD21 LEU 70 124.699 -2.723 17.491 510 HD22 LEU 70 HD22 LEU 70 124.647 -3.033 15.756 511 HD23 LEU 70 HD23 LEU 70 125.206 -4.291 16.861 512 H SER 71 HN SER 71 120.492 -5.344 20.596 513 HA SER 71 HA SER 71 121.772 -7.835 21.520 514 HB2 SER 71 HB2 SER 71 119.840 -5.945 22.903 515 HB3 SER 71 HB1 SER 71 120.653 -7.306 23.672 516 HG SER 71 HG SER 71 122.426 -5.780 22.350 517 H GLY 72 HN GLY 72 118.990 -6.957 19.848 518 HA2 GLY 72 HA2 GLY 72 117.273 -8.382 19.058 519 HA3 GLY 72 HA1 GLY 72 117.864 -9.643 20.142 520 H LYS 73 HN LYS 73 117.352 -6.518 21.521 521 HA LYS 73 HA LYS 73 114.939 -7.585 22.930 522 HB2 LYS 73 HB2 LYS 73 116.798 -5.318 23.726 523 HB3 LYS 73 HB1 LYS 73 115.486 -5.981 24.700 524 HG2 LYS 73 HG2 LYS 73 117.862 -7.598 23.734 525 HG3 LYS 73 HG1 LYS 73 117.746 -6.873 25.338 526 HD2 LYS 73 HD2 LYS 73 115.490 -8.143 25.518 527 HD3 LYS 73 HD1 LYS 73 116.081 -9.092 24.155 528 HE2 LYS 73 HE2 LYS 73 117.628 -8.699 26.728 529 HE3 LYS 73 HE1 LYS 73 116.616 -10.103 26.390 530 HZ1 LYS 73 HZ1 LYS 73 119.074 -9.239 24.990 531 HZ2 LYS 73 HZ2 LYS 73 117.984 -10.340 24.293 532 HZ3 LYS 73 HZ3 LYS 73 118.764 -10.721 25.755 533 H ASN 74 HN ASN 74 113.021 -6.421 22.859 534 HA ASN 74 HA ASN 74 112.638 -4.565 20.692 535 HB2 ASN 74 HB2 ASN 74 110.909 -6.105 21.872 536 HB3 ASN 74 HB1 ASN 74 110.754 -4.781 23.028 537 HD21 ASN 74 HD21 ASN 74 108.652 -4.053 22.362 538 HD22 ASN 74 HD22 ASN 74 108.353 -3.400 20.823 539 H GLU 75 HN GLU 75 113.035 -2.416 20.654 540 HA GLU 75 HA GLU 75 112.874 -0.847 23.163 541 HB2 GLU 75 HB2 GLU 75 115.321 -0.977 21.376 542 HB3 GLU 75 HB1 GLU 75 115.074 0.246 22.624 543 HG2 GLU 75 HG2 GLU 75 115.123 -2.748 23.118 544 HG3 GLU 75 HG1 GLU 75 116.460 -1.649 23.443 545 H ASN 76 HN ASN 76 112.996 1.545 22.656 546 HA ASN 76 HA ASN 76 111.692 2.065 20.014 547 HB2 ASN 76 HB2 ASN 76 110.502 2.620 22.233 548 HB3 ASN 76 HB1 ASN 76 111.665 3.937 22.381 549 HD21 ASN 76 HD21 ASN 76 108.814 4.366 22.010 550 HD22 ASN 76 HD22 ASN 76 108.601 5.124 20.506 551 H LEU 77 HN LEU 77 112.641 3.513 18.595 552 HA LEU 77 HA LEU 77 115.342 4.478 19.320 553 HB2 LEU 77 HB2 LEU 77 114.699 3.259 17.116 554 HB3 LEU 77 HB1 LEU 77 114.021 4.812 16.636 555 HG LEU 77 HG LEU 77 116.315 5.808 17.296 556 HD11 LEU 77 HD11 LEU 77 116.904 2.842 17.259 557 HD12 LEU 77 HD12 LEU 77 117.373 4.036 18.468 558 HD13 LEU 77 HD13 LEU 77 118.152 4.028 16.890 559 HD21 LEU 77 HD21 LEU 77 116.323 3.903 14.944 560 HD22 LEU 77 HD22 LEU 77 117.164 5.445 15.092 561 HD23 LEU 77 HD23 LEU 77 115.411 5.412 14.954 562 H GLU 78 HN GLU 78 112.184 5.681 19.320 563 HA GLU 78 HA GLU 78 112.518 8.322 18.330 564 HB2 GLU 78 HB2 GLU 78 110.537 8.885 19.566 565 HB3 GLU 78 HB1 GLU 78 110.341 7.215 19.036 566 HG2 GLU 78 HG2 GLU 78 111.243 6.493 21.289 567 HG3 GLU 78 HG1 GLU 78 111.150 8.182 21.788 568 H ASN 79 HN ASN 79 113.028 7.046 21.634 569 HA ASN 79 HA ASN 79 113.865 9.560 22.747 570 HB2 ASN 79 HB2 ASN 79 114.318 6.683 23.558 571 HB3 ASN 79 HB1 ASN 79 115.002 8.029 24.473 572 HD21 ASN 79 HD21 ASN 79 113.009 6.284 25.605 573 HD22 ASN 79 HD22 ASN 79 111.595 7.191 25.851 574 H LYS 80 HN LYS 80 115.530 6.981 21.036 575 HA LYS 80 HA LYS 80 118.207 7.947 21.553 576 HB2 LYS 80 HB2 LYS 80 117.956 5.667 20.838 577 HB3 LYS 80 HB1 LYS 80 117.058 6.152 19.404 578 HG2 LYS 80 HG2 LYS 80 119.416 5.569 18.872 579 HG3 LYS 80 HG1 LYS 80 119.063 7.251 18.487 580 HD2 LYS 80 HD2 LYS 80 120.179 8.037 20.448 581 HD3 LYS 80 HD1 LYS 80 120.242 6.418 21.150 582 HE2 LYS 80 HE2 LYS 80 121.778 5.692 19.384 583 HE3 LYS 80 HE1 LYS 80 121.675 7.278 18.620 584 HZ1 LYS 80 HZ1 LYS 80 122.938 6.533 21.178 585 HZ2 LYS 80 HZ2 LYS 80 122.432 8.131 20.904 586 HZ3 LYS 80 HZ3 LYS 80 123.589 7.416 19.885 587 H LEU 81 HN LEU 81 116.079 8.207 18.698 588 HA LEU 81 HA LEU 81 117.528 10.727 17.973 589 HB2 LEU 81 HB2 LEU 81 118.128 8.759 16.498 590 HB3 LEU 81 HB1 LEU 81 116.438 8.693 16.004 591 HG LEU 81 HG LEU 81 116.620 11.087 15.267 592 HD11 LEU 81 HD11 LEU 81 119.202 11.651 14.858 593 HD12 LEU 81 HD12 LEU 81 119.402 10.638 16.285 594 HD13 LEU 81 HD13 LEU 81 118.399 12.085 16.366 595 HD21 LEU 81 HD21 LEU 81 118.753 9.450 13.921 596 HD22 LEU 81 HD22 LEU 81 117.579 10.533 13.182 597 HD23 LEU 81 HD23 LEU 81 117.063 8.970 13.818 598 H LYS 82 HN LYS 82 116.124 12.430 17.815 599 HA LYS 82 HA LYS 82 113.252 11.973 18.063 600 HB2 LYS 82 HB2 LYS 82 114.776 14.539 17.508 601 HB3 LYS 82 HB1 LYS 82 113.089 14.426 18.012 602 HG2 LYS 82 HG2 LYS 82 115.414 13.349 19.629 603 HG3 LYS 82 HG1 LYS 82 114.666 14.921 19.905 604 HD2 LYS 82 HD2 LYS 82 112.439 13.594 20.063 605 HD3 LYS 82 HD1 LYS 82 113.469 12.179 20.281 606 HE2 LYS 82 HE2 LYS 82 113.677 14.687 21.962 607 HE3 LYS 82 HE1 LYS 82 112.773 13.249 22.440 608 HZ1 LYS 82 HZ1 LYS 82 115.209 12.292 21.667 609 HZ2 LYS 82 HZ2 LYS 82 114.682 12.515 23.268 610 HZ3 LYS 82 HZ3 LYS 82 115.591 13.723 22.493 611 H LEU 83 HN LEU 83 112.199 11.198 16.290 612 HA LEU 83 HA LEU 83 112.968 12.262 13.610 613 HB2 LEU 83 HB2 LEU 83 111.356 9.814 14.388 614 HB3 LEU 83 HB1 LEU 83 111.717 10.303 12.732 615 HG LEU 83 HG LEU 83 113.822 9.709 14.834 616 HD11 LEU 83 HD11 LEU 83 112.994 8.007 12.469 617 HD12 LEU 83 HD12 LEU 83 112.425 7.726 14.114 618 HD13 LEU 83 HD13 LEU 83 114.143 7.587 13.739 619 HD21 LEU 83 HD21 LEU 83 114.886 11.073 13.273 620 HD22 LEU 83 HD22 LEU 83 113.848 10.545 11.949 621 HD23 LEU 83 HD23 LEU 83 115.131 9.490 12.538 622 H THR 84 HN THR 84 111.504 13.395 12.398 623 HA THR 84 HA THR 84 108.739 13.724 13.523 624 HB THR 84 HB THR 84 108.780 16.055 12.847 625 HG1 THR 84 HG1 THR 84 110.031 16.477 11.232 626 HG21 THR 84 HG21 THR 84 110.505 16.913 14.343 627 HG22 THR 84 HG22 THR 84 111.369 15.376 14.268 628 HG23 THR 84 HG23 THR 84 109.788 15.462 15.046 629 H ASN 85 HN ASN 85 107.125 14.357 11.823 630 HA ASN 85 HA ASN 85 106.073 13.862 9.789 631 HB2 ASN 85 HB2 ASN 85 108.876 14.513 8.863 632 HB3 ASN 85 HB1 ASN 85 107.543 14.217 7.749 633 HD21 ASN 85 HD21 ASN 85 108.874 16.773 7.921 634 HD22 ASN 85 HD22 ASN 85 107.758 17.903 8.520 635 H ILE 86 HN ILE 86 106.598 11.589 11.159 636 HA ILE 86 HA ILE 86 108.195 9.716 9.600 637 HB ILE 86 HB ILE 86 106.243 9.322 11.882 638 HG12 ILE 86 HG12 ILE 86 109.267 9.130 11.832 639 HG13 ILE 86 HG11 ILE 86 108.401 10.598 12.289 640 HG21 ILE 86 HG21 ILE 86 106.249 7.210 10.938 641 HG22 ILE 86 HG22 ILE 86 107.671 7.092 11.970 642 HG23 ILE 86 HG23 ILE 86 107.858 7.403 10.243 643 HD11 ILE 86 HD11 ILE 86 107.787 7.960 13.616 644 HD12 ILE 86 HD12 ILE 86 107.462 9.591 14.205 645 HD13 ILE 86 HD13 ILE 86 109.115 8.974 14.182 646 H ILE 87 HN ILE 87 107.508 8.476 7.929 647 HA ILE 87 HA ILE 87 104.554 8.349 7.385 648 HB ILE 87 HB ILE 87 106.836 8.318 5.382 649 HG12 ILE 87 HG12 ILE 87 106.593 10.545 6.351 650 HG13 ILE 87 HG11 ILE 87 105.928 10.551 4.718 651 HG21 ILE 87 HG21 ILE 87 103.841 8.103 5.160 652 HG22 ILE 87 HG22 ILE 87 105.081 7.106 4.400 653 HG23 ILE 87 HG23 ILE 87 104.796 8.749 3.826 654 HD11 ILE 87 HD11 ILE 87 103.667 9.978 5.927 655 HD12 ILE 87 HD12 ILE 87 104.248 11.641 5.918 656 HD13 ILE 87 HD13 ILE 87 104.479 10.636 7.347 657 H MET 88 HN MET 88 103.811 6.271 7.642 658 HA MET 88 HA MET 88 105.692 4.034 6.958 659 HB2 MET 88 HB2 MET 88 103.557 3.980 9.111 660 HB3 MET 88 HB1 MET 88 104.743 2.724 8.758 661 HG2 MET 88 HG2 MET 88 106.571 4.237 9.378 662 HG3 MET 88 HG1 MET 88 105.415 5.532 9.670 663 HE1 MET 88 HE1 MET 88 107.019 2.349 10.639 664 HE2 MET 88 HE2 MET 88 105.426 1.597 10.624 665 HE3 MET 88 HE3 MET 88 106.281 1.804 12.152 666 H ASP 89 HN ASP 89 104.941 3.214 5.065 667 HA ASP 89 HA ASP 89 101.975 2.873 4.749 668 HB2 ASP 89 HB2 ASP 89 104.189 3.185 2.714 669 HB3 ASP 89 HB1 ASP 89 102.563 2.662 2.282 670 H HIS 90 HN HIS 90 101.649 0.811 5.583 671 HA HIS 90 HA HIS 90 103.535 -1.349 5.202 672 HB2 HIS 90 HB2 HIS 90 100.647 -1.331 6.108 673 HB3 HIS 90 HB1 HIS 90 101.676 -2.764 6.117 674 HD1 HIS 90 HD1 HIS 90 103.899 -2.584 7.635 675 HD2 HIS 90 HD2 HIS 90 101.012 0.354 8.302 676 HE1 HIS 90 HE1 HIS 90 104.464 -1.515 9.862 677 HE2 HIS 90 HE2 HIS 90 102.714 0.273 10.278 678 H TYR 91 HN TYR 91 100.566 -0.354 3.532 679 HA TYR 91 HA TYR 91 100.244 -2.705 1.953 680 HB2 TYR 91 HB2 TYR 91 98.492 -1.008 2.058 681 HB3 TYR 91 HB1 TYR 91 99.553 0.171 1.283 682 HD1 TYR 91 HD1 TYR 91 97.954 -3.171 0.768 683 HD2 TYR 91 HD2 TYR 91 99.694 0.301 -1.065 684 HE1 TYR 91 HE1 TYR 91 97.257 -4.000 -1.462 685 HE2 TYR 91 HE2 TYR 91 98.999 -0.528 -3.297 686 HH TYR 91 HH TYR 91 97.873 -3.722 -3.800 687 H ASN 92 HN ASN 92 102.045 0.309 1.265 688 HA ASN 92 HA ASN 92 103.138 -0.894 -1.197 689 HB2 ASN 92 HB2 ASN 92 103.481 1.793 0.146 690 HB3 ASN 92 HB1 ASN 92 104.426 1.319 -1.266 691 HD21 ASN 92 HD21 ASN 92 102.602 3.508 -1.419 692 HD22 ASN 92 HD22 ASN 92 101.314 3.069 -2.432 693 H ASN 93 HN ASN 93 103.817 -1.053 2.055 694 HA ASN 93 HA ASN 93 105.694 -1.767 3.268 695 HB2 ASN 93 HB2 ASN 93 106.313 -2.872 0.516 696 HB3 ASN 93 HB1 ASN 93 107.269 -3.251 1.948 697 HD21 ASN 93 HD21 ASN 93 105.811 -5.291 0.540 698 HD22 ASN 93 HD22 ASN 93 104.563 -5.842 1.549 699 H THR 94 HN THR 94 105.886 0.917 2.579 700 HA THR 94 HA THR 94 108.816 1.172 2.075 701 HB THR 94 HB THR 94 107.736 1.867 0.014 702 HG1 THR 94 HG1 THR 94 109.402 3.220 1.090 703 HG21 THR 94 HG21 THR 94 106.109 3.791 1.688 704 HG22 THR 94 HG22 THR 94 105.494 2.250 1.095 705 HG23 THR 94 HG23 THR 94 105.967 3.507 -0.046 706 H PHE 95 HN PHE 95 109.844 2.621 3.433 707 HA PHE 95 HA PHE 95 108.097 4.194 5.306 708 HB2 PHE 95 HB2 PHE 95 110.645 2.695 6.001 709 HB3 PHE 95 HB1 PHE 95 109.677 3.662 7.114 710 HD1 PHE 95 HD1 PHE 95 109.531 0.697 4.849 711 HD2 PHE 95 HD2 PHE 95 107.801 2.730 8.211 712 HE1 PHE 95 HE1 PHE 95 108.076 -1.264 5.286 713 HE2 PHE 95 HE2 PHE 95 106.343 0.772 8.648 714 HZ PHE 95 HZ PHE 95 106.481 -1.225 7.184 715 H TYR 96 HN TYR 96 108.790 6.291 5.721 716 HA TYR 96 HA TYR 96 111.489 7.096 4.725 717 HB2 TYR 96 HB2 TYR 96 108.942 8.662 4.193 718 HB3 TYR 96 HB1 TYR 96 110.567 9.074 3.652 719 HD1 TYR 96 HD2 TYR 96 111.686 7.775 1.883 720 HD2 TYR 96 HD1 TYR 96 107.655 6.931 3.102 721 HE1 TYR 96 HE2 TYR 96 111.340 6.442 -0.181 722 HE2 TYR 96 HE1 TYR 96 107.309 5.606 1.037 723 HH TYR 96 HH TYR 96 109.064 4.271 -0.606 724 H SER 97 HN SER 97 112.372 8.886 5.884 725 HA SER 97 HA SER 97 110.762 10.256 7.915 726 HB2 SER 97 HB2 SER 97 113.058 8.454 8.744 727 HB3 SER 97 HB1 SER 97 112.199 9.563 9.809 728 HG SER 97 HG SER 97 110.937 7.897 10.089 729 H ARG 98 HN ARG 98 112.023 12.028 8.934 730 HA ARG 98 HA ARG 98 114.245 12.905 7.142 731 HB2 ARG 98 HB2 ARG 98 112.263 14.376 8.870 732 HB3 ARG 98 HB1 ARG 98 113.759 15.159 8.381 733 HG2 ARG 98 HG2 ARG 98 112.306 15.782 6.655 734 HG3 ARG 98 HG1 ARG 98 113.098 14.372 5.968 735 HD2 ARG 98 HD2 ARG 98 110.588 13.934 7.538 736 HD3 ARG 98 HD1 ARG 98 110.455 14.609 5.926 737 HE ARG 98 HE ARG 98 112.188 12.403 5.711 738 HH11 ARG 98 HH21 ARG 98 108.994 12.979 6.893 739 HH12 ARG 98 HH22 ARG 98 108.374 11.465 6.322 740 HH21 ARG 98 HH11 ARG 98 111.387 10.437 4.963 741 HH22 ARG 98 HH12 ARG 98 109.724 10.032 5.230 742 H LEU 99 HN LEU 99 116.242 13.371 7.955 743 HA LEU 99 HA LEU 99 116.776 12.443 10.700 744 HB2 LEU 99 HB2 LEU 99 118.542 13.165 8.363 745 HB3 LEU 99 HB1 LEU 99 119.196 12.852 9.964 746 HG LEU 99 HG LEU 99 117.495 10.919 8.374 747 HD11 LEU 99 HD11 LEU 99 119.528 10.782 7.283 748 HD12 LEU 99 HD12 LEU 99 119.845 9.668 8.612 749 HD13 LEU 99 HD13 LEU 99 120.446 11.323 8.687 750 HD21 LEU 99 HD21 LEU 99 117.105 10.215 10.544 751 HD22 LEU 99 HD22 LEU 99 118.582 10.956 11.162 752 HD23 LEU 99 HD23 LEU 99 118.659 9.421 10.295 753 HA PRO 100 HA PRO 100 116.820 16.545 12.504 754 HB2 PRO 100 HB2 PRO 100 119.318 15.554 13.832 755 HB3 PRO 100 HB1 PRO 100 117.901 16.346 14.550 756 HG2 PRO 100 HG2 PRO 100 118.318 13.719 14.763 757 HG3 PRO 100 HG1 PRO 100 116.694 14.409 14.634 758 HD2 PRO 100 HD2 PRO 100 118.220 12.853 12.629 759 HD3 PRO 100 HD1 PRO 100 116.468 13.091 12.792 760 H SER 101 HN SER 101 118.178 18.491 12.400 761 HA SER 101 HA SER 101 119.813 18.588 10.035 762 HB2 SER 101 HB2 SER 101 118.499 20.522 10.907 763 HB3 SER 101 HB1 SER 101 119.622 20.632 12.259 764 HG SER 101 HG SER 101 120.623 21.902 10.879 765 H LEU 102 HN LEU 102 120.489 17.820 13.319 766 HA LEU 102 HA LEU 102 123.424 18.001 12.742 767 HB2 LEU 102 HB2 LEU 102 122.637 19.681 14.412 768 HB3 LEU 102 HB1 LEU 102 122.074 18.358 15.430 769 HG LEU 102 HG LEU 102 124.379 17.459 15.522 770 HD11 LEU 102 HD11 LEU 102 125.503 18.115 13.593 771 HD12 LEU 102 HD12 LEU 102 126.136 19.287 14.744 772 HD13 LEU 102 HD13 LEU 102 124.841 19.750 13.640 773 HD21 LEU 102 HD21 LEU 102 125.352 19.338 16.876 774 HD22 LEU 102 HD22 LEU 102 123.677 18.974 17.291 775 HD23 LEU 102 HD23 LEU 102 124.052 20.376 16.290 776 H ILE 103 HN ILE 103 124.512 16.101 12.928 777 HA ILE 103 HA ILE 103 123.549 14.021 14.781 778 HB ILE 103 HB ILE 103 123.798 13.576 11.790 779 HG12 ILE 103 HG12 ILE 103 121.504 13.054 13.708 780 HG13 ILE 103 HG11 ILE 103 121.614 14.455 12.651 781 HG21 ILE 103 HG21 ILE 103 123.253 11.186 12.403 782 HG22 ILE 103 HG22 ILE 103 123.568 11.609 14.085 783 HG23 ILE 103 HG23 ILE 103 124.863 11.711 12.891 784 HD11 ILE 103 HD11 ILE 103 121.311 13.214 10.721 785 HD12 ILE 103 HD12 ILE 103 120.288 12.341 11.861 786 HD13 ILE 103 HD13 ILE 103 121.883 11.720 11.461 787 H SER 104 HN SER 104 125.472 13.985 15.926 788 HA SER 104 HA SER 104 127.995 13.623 14.345 789 HB2 SER 104 HB2 SER 104 127.608 14.702 17.150 790 HB3 SER 104 HB1 SER 104 129.162 14.482 16.352 791 HG SER 104 HG SER 104 127.013 16.110 15.444 792 H ASP 105 HN ASP 105 125.773 11.842 15.951 793 HA ASP 105 HA ASP 105 127.664 10.168 17.473 794 HB2 ASP 105 HB2 ASP 105 125.401 10.603 18.379 795 HB3 ASP 105 HB1 ASP 105 124.696 9.815 16.969 796 H ASN 106 HN ASN 106 127.937 7.891 17.006 797 HA ASN 106 HA ASN 106 127.824 7.309 14.095 798 HB2 ASN 106 HB2 ASN 106 129.277 5.989 16.406 799 HB3 ASN 106 HB1 ASN 106 129.270 5.337 14.767 800 HD21 ASN 106 HD21 ASN 106 131.694 6.216 16.030 801 HD22 ASN 106 HD22 ASN 106 132.260 7.582 15.196 802 H TRP 107 HN TRP 107 125.397 7.239 15.727 803 HA TRP 107 HA TRP 107 124.723 4.608 16.562 804 HB2 TRP 107 HB2 TRP 107 122.389 5.350 16.450 805 HB3 TRP 107 HB1 TRP 107 123.392 6.624 17.143 806 HD1 TRP 107 HD1 TRP 107 124.316 8.471 15.178 807 HE1 TRP 107 HE1 TRP 107 122.934 9.554 13.310 808 HE3 TRP 107 HE3 TRP 107 120.418 5.179 14.947 809 HZ2 TRP 107 HZ2 TRP 107 120.490 9.104 11.902 810 HZ3 TRP 107 HZ3 TRP 107 118.574 5.551 13.339 811 HH2 TRP 107 HH2 TRP 107 118.601 7.497 11.828 812 H LYS 108 HN LYS 108 123.420 3.021 15.528 813 HA LYS 108 HA LYS 108 123.209 3.171 12.567 814 HB2 LYS 108 HB2 LYS 108 125.266 1.995 12.805 815 HB3 LYS 108 HB1 LYS 108 124.673 1.078 14.186 816 HG2 LYS 108 HG2 LYS 108 123.148 -0.179 12.786 817 HG3 LYS 108 HG1 LYS 108 123.521 0.837 11.393 818 HD2 LYS 108 HD2 LYS 108 125.486 -0.244 10.966 819 HD3 LYS 108 HD1 LYS 108 125.873 -0.442 12.676 820 HE2 LYS 108 HE2 LYS 108 125.357 -2.589 11.396 821 HE3 LYS 108 HE1 LYS 108 124.435 -2.337 12.877 822 HZ1 LYS 108 HZ1 LYS 108 122.793 -1.172 11.243 823 HZ2 LYS 108 HZ2 LYS 108 122.779 -2.862 11.423 824 HZ3 LYS 108 HZ3 LYS 108 123.554 -2.153 10.087 825 H PHE 109 HN PHE 109 121.512 1.826 11.721 826 HA PHE 109 HA PHE 109 120.034 0.100 13.589 827 HB2 PHE 109 HB2 PHE 109 117.969 1.286 13.568 828 HB3 PHE 109 HB1 PHE 109 119.193 2.489 13.962 829 HD1 PHE 109 HD2 PHE 109 120.002 4.074 12.213 830 HD2 PHE 109 HD1 PHE 109 116.732 1.382 11.517 831 HE1 PHE 109 HE2 PHE 109 119.306 5.425 10.253 832 HE2 PHE 109 HE1 PHE 109 116.037 2.729 9.555 833 HZ PHE 109 HZ PHE 109 117.325 4.751 8.922 834 H PHE 110 HN PHE 110 118.234 -1.064 12.359 835 HA PHE 110 HA PHE 110 118.403 -0.836 9.433 836 HB2 PHE 110 HB2 PHE 110 118.979 -3.337 9.289 837 HB3 PHE 110 HB1 PHE 110 120.290 -2.243 9.724 838 HD1 PHE 110 HD2 PHE 110 120.978 -2.005 12.118 839 HD2 PHE 110 HD1 PHE 110 118.156 -4.977 10.832 840 HE1 PHE 110 HE2 PHE 110 121.312 -3.240 14.242 841 HE2 PHE 110 HE1 PHE 110 118.496 -6.212 12.958 842 HZ PHE 110 HZ PHE 110 120.070 -5.344 14.662 843 H CYS 111 HN CYS 111 116.897 -2.230 8.316 844 HA CYS 111 HA CYS 111 114.636 -3.218 10.019 845 HB2 CYS 111 HB2 CYS 111 114.550 -1.720 7.383 846 HB3 CYS 111 HB1 CYS 111 113.163 -2.586 8.043 847 H VAL 112 HN VAL 112 113.525 -5.110 9.066 848 HA VAL 112 HA VAL 112 115.182 -6.489 6.973 849 HB VAL 112 HB VAL 112 114.083 -7.591 9.558 850 HG11 VAL 112 HG11 VAL 112 114.997 -8.992 7.040 851 HG12 VAL 112 HG12 VAL 112 113.523 -9.265 7.969 852 HG13 VAL 112 HG13 VAL 112 115.081 -9.777 8.618 853 HG21 VAL 112 HG21 VAL 112 116.447 -8.269 9.851 854 HG22 VAL 112 HG22 VAL 112 116.312 -6.523 9.625 855 HG23 VAL 112 HG23 VAL 112 116.839 -7.547 8.292 856 H CYS 113 HN CYS 113 114.133 -7.570 5.417 857 HA CYS 113 HA CYS 113 111.155 -7.806 5.563 858 HB2 CYS 113 HB2 CYS 113 112.905 -7.107 3.181 859 HB3 CYS 113 HB1 CYS 113 111.204 -7.543 3.048 860 H SER 114 HN SER 114 110.475 -9.976 5.199 861 HA SER 114 HA SER 114 112.027 -11.773 3.544 862 HB2 SER 114 HB2 SER 114 112.782 -13.278 5.375 863 HB3 SER 114 HB1 SER 114 113.562 -11.699 5.424 864 HG SER 114 HG SER 114 111.347 -11.462 6.795 865 H LYS 115 HN LYS 115 111.358 -14.143 4.091 866 HA LYS 115 HA LYS 115 108.650 -14.435 5.202 867 HB2 LYS 115 HB2 LYS 115 109.303 -14.944 2.291 868 HB3 LYS 115 HB1 LYS 115 107.927 -15.693 3.098 869 HG2 LYS 115 HG2 LYS 115 107.277 -13.282 3.786 870 HG3 LYS 115 HG1 LYS 115 108.414 -12.775 2.536 871 HD2 LYS 115 HD2 LYS 115 106.117 -14.702 2.071 872 HD3 LYS 115 HD1 LYS 115 106.053 -12.981 1.695 873 HE2 LYS 115 HE2 LYS 115 108.076 -13.311 0.223 874 HE3 LYS 115 HE1 LYS 115 107.912 -15.045 0.493 875 HZ1 LYS 115 HZ1 LYS 115 106.354 -15.133 -1.051 876 HZ2 LYS 115 HZ2 LYS 115 106.570 -13.478 -1.368 877 HZ3 LYS 115 HZ3 LYS 115 105.416 -13.983 -0.229 878 H ASP 116 HN ASP 116 108.111 -16.840 5.304 879 HA ASP 116 HA ASP 116 110.321 -18.330 6.310 880 HB2 ASP 116 HB2 ASP 116 108.806 -20.256 6.300 881 HB3 ASP 116 HB1 ASP 116 107.941 -18.822 6.855 882 H ASN 117 HN ASN 117 111.398 -20.198 5.353 883 HA ASN 117 HA ASN 117 112.693 -21.063 3.567 884 HB2 ASN 117 HB2 ASN 117 110.382 -22.178 3.409 885 HB3 ASN 117 HB1 ASN 117 110.056 -21.057 2.087 886 HD21 ASN 117 HD21 ASN 117 110.137 -22.553 0.332 887 HD22 ASN 117 HD22 ASN 117 111.529 -23.434 -0.073 888 H GLU 118 HN GLU 118 113.328 -18.510 3.483 889 HA GLU 118 HA GLU 118 113.545 -17.893 0.654 890 HB2 GLU 118 HB2 GLU 118 111.709 -16.267 2.420 891 HB3 GLU 118 HB1 GLU 118 112.476 -15.561 1.000 892 HG2 GLU 118 HG2 GLU 118 111.492 -17.682 -0.229 893 HG3 GLU 118 HG1 GLU 118 110.403 -17.728 1.157 894 H LYS 119 HN LYS 119 115.210 -16.379 0.269 895 HA LYS 119 HA LYS 119 117.186 -16.037 2.277 896 HB2 LYS 119 HB2 LYS 119 116.678 -14.471 -0.271 897 HB3 LYS 119 HB1 LYS 119 118.125 -14.287 0.718 898 HG2 LYS 119 HG2 LYS 119 118.632 -16.692 0.414 899 HG3 LYS 119 HG1 LYS 119 117.194 -16.861 -0.592 900 HD2 LYS 119 HD2 LYS 119 118.105 -15.234 -2.196 901 HD3 LYS 119 HD1 LYS 119 119.537 -15.029 -1.186 902 HE2 LYS 119 HE2 LYS 119 120.087 -17.416 -1.474 903 HE3 LYS 119 HE1 LYS 119 118.656 -17.625 -2.483 904 HZ1 LYS 119 HZ1 LYS 119 120.505 -17.304 -3.912 905 HZ2 LYS 119 HZ2 LYS 119 121.030 -15.938 -3.049 906 HZ3 LYS 119 HZ3 LYS 119 119.597 -15.872 -3.957 907 H LYS 120 HN LYS 120 117.619 -14.330 3.716 908 HA LYS 120 HA LYS 120 115.323 -12.561 4.258 909 HB2 LYS 120 HB2 LYS 120 116.513 -11.995 6.329 910 HB3 LYS 120 HB1 LYS 120 116.432 -13.744 6.125 911 HG2 LYS 120 HG2 LYS 120 118.716 -13.765 5.235 912 HG3 LYS 120 HG1 LYS 120 118.808 -12.013 5.378 913 HD2 LYS 120 HD2 LYS 120 119.879 -12.807 7.332 914 HD3 LYS 120 HD1 LYS 120 118.260 -12.366 7.871 915 HE2 LYS 120 HE2 LYS 120 117.540 -14.641 7.896 916 HE3 LYS 120 HE1 LYS 120 118.958 -15.176 6.996 917 HZ1 LYS 120 HZ1 LYS 120 119.748 -15.648 9.020 918 HZ2 LYS 120 HZ2 LYS 120 118.659 -14.615 9.815 919 HZ3 LYS 120 HZ3 LYS 120 120.076 -13.988 9.117 920 H LEU 121 HN LEU 121 115.334 -10.334 4.032 921 HA LEU 121 HA LEU 121 117.717 -9.168 2.650 922 HB2 LEU 121 HB2 LEU 121 114.831 -8.220 2.692 923 HB3 LEU 121 HB1 LEU 121 116.143 -7.481 1.776 924 HG LEU 121 HG LEU 121 115.196 -10.342 1.429 925 HD11 LEU 121 HD11 LEU 121 114.277 -9.515 -0.725 926 HD12 LEU 121 HD12 LEU 121 114.728 -7.871 -0.272 927 HD13 LEU 121 HD13 LEU 121 113.502 -8.735 0.655 928 HD21 LEU 121 HD21 LEU 121 116.566 -9.890 -0.773 929 HD22 LEU 121 HD22 LEU 121 117.419 -10.326 0.706 930 HD23 LEU 121 HD23 LEU 121 117.343 -8.639 0.195 931 H VAL 122 HN VAL 122 118.933 -7.823 3.951 932 HA VAL 122 HA VAL 122 117.575 -6.593 6.314 933 HB VAL 122 HB VAL 122 120.463 -7.310 5.777 934 HG11 VAL 122 HG11 VAL 122 119.218 -5.591 7.931 935 HG12 VAL 122 HG12 VAL 122 120.597 -5.214 6.899 936 HG13 VAL 122 HG13 VAL 122 120.755 -6.419 8.177 937 HG21 VAL 122 HG21 VAL 122 118.461 -8.868 6.770 938 HG22 VAL 122 HG22 VAL 122 119.027 -8.111 8.259 939 HG23 VAL 122 HG23 VAL 122 120.145 -9.032 7.259 940 H PHE 123 HN PHE 123 117.379 -4.432 6.394 941 HA PHE 123 HA PHE 123 118.826 -2.782 4.358 942 HB2 PHE 123 HB2 PHE 123 116.397 -2.613 4.169 943 HB3 PHE 123 HB1 PHE 123 116.248 -2.310 5.898 944 HD1 PHE 123 HD1 PHE 123 118.013 -0.947 2.891 945 HD2 PHE 123 HD2 PHE 123 116.092 -0.105 6.633 946 HE1 PHE 123 HE1 PHE 123 118.274 1.479 2.474 947 HE2 PHE 123 HE2 PHE 123 116.353 2.328 6.222 948 HZ PHE 123 HZ PHE 123 117.444 3.123 4.140 949 H THR 124 HN THR 124 120.558 -1.671 5.264 950 HA THR 124 HA THR 124 120.228 -0.694 8.072 951 HB THR 124 HB THR 124 121.554 -2.862 7.924 952 HG1 THR 124 HG1 THR 124 122.617 -0.456 8.945 953 HG21 THR 124 HG21 THR 124 123.753 -2.817 7.018 954 HG22 THR 124 HG22 THR 124 123.716 -1.064 6.830 955 HG23 THR 124 HG23 THR 124 122.726 -2.084 5.786 956 H VAL 125 HN VAL 125 121.143 1.232 8.559 957 HA VAL 125 HA VAL 125 122.873 2.550 6.525 958 HB VAL 125 HB VAL 125 121.624 4.581 6.593 959 HG11 VAL 125 HG11 VAL 125 119.633 3.937 5.555 960 HG12 VAL 125 HG12 VAL 125 119.374 2.590 6.664 961 HG13 VAL 125 HG13 VAL 125 120.602 2.471 5.405 962 HG21 VAL 125 HG21 VAL 125 120.314 3.298 8.982 963 HG22 VAL 125 HG22 VAL 125 119.505 4.602 8.110 964 HG23 VAL 125 HG23 VAL 125 121.076 4.885 8.861 965 H GLU 126 HN GLU 126 124.200 4.301 7.530 966 HA GLU 126 HA GLU 126 124.372 4.050 10.514 967 HB2 GLU 126 HB2 GLU 126 126.656 3.993 8.516 968 HB3 GLU 126 HB1 GLU 126 126.860 4.118 10.263 969 HG2 GLU 126 HG2 GLU 126 125.742 1.975 10.586 970 HG3 GLU 126 HG1 GLU 126 125.421 1.850 8.858 971 H ALA 127 HN ALA 127 125.209 5.911 11.589 972 HA ALA 127 HA ALA 127 125.958 8.294 10.076 973 HB1 ALA 127 HB1 ALA 127 124.057 9.671 10.911 974 HB2 ALA 127 HB2 ALA 127 123.297 8.207 11.533 975 HB3 ALA 127 HB3 ALA 127 123.529 8.411 9.797 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 114.685 15.747 -3.827 2 H2 GLU 1 HT2 GLU 1 114.836 15.377 -5.479 3 H3 GLU 1 HT3 GLU 1 115.602 16.753 -4.841 4 HA GLU 1 HA GLU 1 117.231 15.034 -5.181 5 HB2 GLU 1 HB2 GLU 1 116.480 15.506 -2.280 6 HB3 GLU 1 HB1 GLU 1 118.019 14.825 -2.806 7 HG2 GLU 1 HG2 GLU 1 118.528 17.103 -2.608 8 HG3 GLU 1 HG1 GLU 1 118.152 16.949 -4.324 9 H LYS 2 HN LYS 2 117.900 12.845 -4.804 10 HA LYS 2 HA LYS 2 115.698 10.951 -4.654 11 HB2 LYS 2 HB2 LYS 2 118.694 10.456 -4.656 12 HB3 LYS 2 HB1 LYS 2 117.447 9.242 -4.944 13 HG2 LYS 2 HG2 LYS 2 117.573 11.736 -6.626 14 HG3 LYS 2 HG1 LYS 2 118.583 10.343 -7.011 15 HD2 LYS 2 HD2 LYS 2 116.527 8.921 -7.051 16 HD3 LYS 2 HD1 LYS 2 115.556 10.369 -6.804 17 HE2 LYS 2 HE2 LYS 2 117.475 9.994 -9.115 18 HE3 LYS 2 HE1 LYS 2 115.736 9.709 -9.211 19 HZ1 LYS 2 HZ1 LYS 2 117.038 12.106 -9.561 20 HZ2 LYS 2 HZ2 LYS 2 116.296 12.234 -8.038 21 HZ3 LYS 2 HZ3 LYS 2 115.365 11.870 -9.412 22 H VAL 3 HN VAL 3 115.498 9.263 -3.029 23 HA VAL 3 HA VAL 3 116.287 10.242 -0.338 24 HB VAL 3 HB VAL 3 114.345 8.088 -1.227 25 HG11 VAL 3 HG11 VAL 3 114.972 9.167 1.537 26 HG12 VAL 3 HG12 VAL 3 115.313 7.538 0.960 27 HG13 VAL 3 HG13 VAL 3 113.645 8.070 1.156 28 HG21 VAL 3 HG21 VAL 3 113.700 10.675 0.180 29 HG22 VAL 3 HG22 VAL 3 112.631 9.640 -0.768 30 HG23 VAL 3 HG23 VAL 3 113.858 10.617 -1.576 31 H LYS 4 HN LYS 4 117.795 9.168 0.891 32 HA LYS 4 HA LYS 4 119.370 7.056 -0.307 33 HB2 LYS 4 HB2 LYS 4 119.275 8.004 2.579 34 HB3 LYS 4 HB1 LYS 4 120.517 6.961 1.886 35 HG2 LYS 4 HG2 LYS 4 119.890 9.749 0.878 36 HG3 LYS 4 HG1 LYS 4 121.196 9.373 2.002 37 HD2 LYS 4 HD2 LYS 4 121.925 7.631 0.205 38 HD3 LYS 4 HD1 LYS 4 120.911 8.575 -0.888 39 HE2 LYS 4 HE2 LYS 4 122.953 9.649 -1.154 40 HE3 LYS 4 HE1 LYS 4 122.223 10.620 0.126 41 HZ1 LYS 4 HZ1 LYS 4 124.029 10.141 1.303 42 HZ2 LYS 4 HZ2 LYS 4 124.534 8.940 0.213 43 HZ3 LYS 4 HZ3 LYS 4 123.429 8.561 1.446 44 H GLY 5 HN GLY 5 118.803 4.942 -0.381 45 HA2 GLY 5 HA2 GLY 5 117.841 3.463 1.845 46 HA3 GLY 5 HA1 GLY 5 116.456 3.916 0.865 47 H CYS 6 HN CYS 6 116.777 1.300 0.981 48 HA CYS 6 HA CYS 6 118.248 0.544 -1.521 49 HB2 CYS 6 HB2 CYS 6 118.872 -0.452 0.819 50 HB3 CYS 6 HB1 CYS 6 117.432 -1.432 0.593 51 H ASP 7 HN ASP 7 116.993 -0.150 -3.156 52 HA ASP 7 HA ASP 7 114.119 -0.727 -2.584 53 HB2 ASP 7 HB2 ASP 7 114.768 1.065 -4.266 54 HB3 ASP 7 HB1 ASP 7 115.395 -0.233 -5.283 55 H PHE 8 HN PHE 8 113.779 -2.888 -2.316 56 HA PHE 8 HA PHE 8 115.480 -4.829 -3.775 57 HB2 PHE 8 HB2 PHE 8 113.365 -5.116 -1.625 58 HB3 PHE 8 HB1 PHE 8 114.106 -6.502 -2.422 59 HD1 PHE 8 HD2 PHE 8 116.581 -6.871 -2.240 60 HD2 PHE 8 HD1 PHE 8 114.537 -3.857 0.037 61 HE1 PHE 8 HE2 PHE 8 118.524 -6.713 -0.706 62 HE2 PHE 8 HE1 PHE 8 116.478 -3.700 1.573 63 HZ PHE 8 HZ PHE 8 118.471 -5.127 1.201 64 H THR 9 HN THR 9 112.760 -3.091 -4.425 65 HA THR 9 HA THR 9 111.405 -5.296 -5.901 66 HB THR 9 HB THR 9 110.463 -2.472 -5.324 67 HG1 THR 9 HG1 THR 9 110.760 -4.201 -3.591 68 HG21 THR 9 HG21 THR 9 108.237 -3.479 -5.939 69 HG22 THR 9 HG22 THR 9 109.105 -4.909 -6.497 70 HG23 THR 9 HG23 THR 9 109.370 -3.352 -7.284 71 H THR 10 HN THR 10 113.434 -2.543 -6.429 72 HA THR 10 HA THR 10 113.283 -3.022 -9.327 73 HB THR 10 HB THR 10 112.676 -0.257 -8.251 74 HG1 THR 10 HG1 THR 10 110.758 -1.043 -7.985 75 HG21 THR 10 HG21 THR 10 112.704 -1.508 -11.005 76 HG22 THR 10 HG22 THR 10 113.677 -0.156 -10.425 77 HG23 THR 10 HG23 THR 10 111.942 0.045 -10.664 78 H SER 11 HN SER 11 115.344 -2.906 -10.076 79 HA SER 11 HA SER 11 117.513 -1.976 -8.433 80 HB2 SER 11 HB2 SER 11 118.882 -2.269 -10.489 81 HB3 SER 11 HB1 SER 11 117.849 -3.665 -10.189 82 HG SER 11 HG SER 11 117.956 -2.473 -12.392 83 H GLU 12 HN GLU 12 115.425 -0.436 -10.757 84 HA GLU 12 HA GLU 12 117.050 2.073 -10.535 85 HB2 GLU 12 HB2 GLU 12 115.044 1.231 -12.656 86 HB3 GLU 12 HB1 GLU 12 115.898 2.772 -12.620 87 HG2 GLU 12 HG2 GLU 12 117.279 1.546 -14.036 88 HG3 GLU 12 HG1 GLU 12 118.041 1.233 -12.477 89 H SER 13 HN SER 13 115.855 2.177 -8.367 90 HA SER 13 HA SER 13 113.009 2.549 -8.310 91 HB2 SER 13 HB2 SER 13 114.440 2.017 -6.317 92 HB3 SER 13 HB1 SER 13 115.058 3.664 -6.377 93 HG SER 13 HG SER 13 113.120 3.125 -4.994 94 H THR 14 HN THR 14 111.808 4.490 -8.136 95 HA THR 14 HA THR 14 113.115 6.827 -9.444 96 HB THR 14 HB THR 14 111.127 6.298 -10.608 97 HG1 THR 14 HG1 THR 14 109.556 7.894 -9.427 98 HG21 THR 14 HG21 THR 14 110.190 4.621 -9.191 99 HG22 THR 14 HG22 THR 14 108.966 5.885 -9.315 100 HG23 THR 14 HG23 THR 14 109.968 5.766 -7.868 101 H ILE 15 HN ILE 15 112.583 5.688 -6.420 102 HA ILE 15 HA ILE 15 112.269 8.442 -5.293 103 HB ILE 15 HB ILE 15 111.183 7.325 -3.317 104 HG12 ILE 15 HG12 ILE 15 110.930 4.963 -5.201 105 HG13 ILE 15 HG11 ILE 15 112.129 5.046 -3.914 106 HG21 ILE 15 HG21 ILE 15 109.955 7.212 -6.075 107 HG22 ILE 15 HG22 ILE 15 109.699 8.415 -4.810 108 HG23 ILE 15 HG23 ILE 15 109.025 6.795 -4.636 109 HD11 ILE 15 HD11 ILE 15 109.800 3.904 -3.456 110 HD12 ILE 15 HD12 ILE 15 109.247 5.568 -3.265 111 HD13 ILE 15 HD13 ILE 15 110.525 4.940 -2.227 112 H PHE 16 HN PHE 16 113.936 5.348 -5.173 113 HA PHE 16 HA PHE 16 115.649 6.416 -2.962 114 HB2 PHE 16 HB2 PHE 16 115.045 3.599 -3.866 115 HB3 PHE 16 HB1 PHE 16 116.404 3.973 -2.806 116 HD1 PHE 16 HD2 PHE 16 115.843 5.473 -0.713 117 HD2 PHE 16 HD1 PHE 16 112.944 3.197 -2.920 118 HE1 PHE 16 HE2 PHE 16 114.307 5.533 1.236 119 HE2 PHE 16 HE1 PHE 16 111.411 3.269 -0.974 120 HZ PHE 16 HZ PHE 16 112.091 4.434 1.104 121 H SER 17 HN SER 17 117.760 6.830 -3.373 122 HA SER 17 HA SER 17 118.725 6.903 -6.076 123 HB2 SER 17 HB2 SER 17 119.447 8.367 -4.102 124 HB3 SER 17 HB1 SER 17 120.458 7.014 -3.607 125 HG SER 17 HG SER 17 120.929 8.853 -5.474 126 H LYS 18 HN LYS 18 118.763 4.373 -3.697 127 HA LYS 18 HA LYS 18 120.692 2.865 -5.439 128 HB2 LYS 18 HB2 LYS 18 120.362 2.674 -2.433 129 HB3 LYS 18 HB1 LYS 18 121.446 1.687 -3.411 130 HG2 LYS 18 HG2 LYS 18 121.565 4.711 -3.277 131 HG3 LYS 18 HG1 LYS 18 122.593 3.638 -2.327 132 HD2 LYS 18 HD2 LYS 18 123.164 2.557 -4.642 133 HD3 LYS 18 HD1 LYS 18 122.566 4.080 -5.303 134 HE2 LYS 18 HE2 LYS 18 124.819 4.573 -5.016 135 HE3 LYS 18 HE1 LYS 18 124.141 5.158 -3.497 136 HZ1 LYS 18 HZ1 LYS 18 124.818 3.208 -2.387 137 HZ2 LYS 18 HZ2 LYS 18 126.159 3.705 -3.303 138 HZ3 LYS 18 HZ3 LYS 18 125.196 2.409 -3.835 139 H GLY 19 HN GLY 19 120.057 0.874 -6.112 140 HA2 GLY 19 HA2 GLY 19 117.797 -0.468 -4.741 141 HA3 GLY 19 HA1 GLY 19 117.580 -0.071 -6.446 142 H TYR 20 HN TYR 20 117.606 -2.745 -5.422 143 HA TYR 20 HA TYR 20 120.160 -3.791 -6.594 144 HB2 TYR 20 HB2 TYR 20 118.393 -4.810 -4.376 145 HB3 TYR 20 HB1 TYR 20 119.453 -5.906 -5.261 146 HD1 TYR 20 HD1 TYR 20 119.541 -2.575 -3.536 147 HD2 TYR 20 HD2 TYR 20 121.646 -6.185 -4.528 148 HE1 TYR 20 HE1 TYR 20 121.464 -1.836 -2.152 149 HE2 TYR 20 HE2 TYR 20 123.566 -5.446 -3.143 150 HH TYR 20 HH TYR 20 123.895 -3.876 -1.150 151 H SER 21 HN SER 21 119.976 -5.583 -8.033 152 HA SER 21 HA SER 21 117.326 -5.759 -9.361 153 HB2 SER 21 HB2 SER 21 119.267 -5.345 -10.805 154 HB3 SER 21 HB1 SER 21 120.062 -6.787 -10.181 155 HG SER 21 HG SER 21 118.364 -6.599 -12.194 156 H ILE 22 HN ILE 22 116.431 -7.907 -9.858 157 HA ILE 22 HA ILE 22 116.410 -9.675 -7.632 158 HB ILE 22 HB ILE 22 115.262 -11.266 -9.146 159 HG12 ILE 22 HG12 ILE 22 115.894 -9.252 -11.325 160 HG13 ILE 22 HG11 ILE 22 116.732 -10.793 -11.134 161 HG21 ILE 22 HG21 ILE 22 114.444 -8.378 -9.580 162 HG22 ILE 22 HG22 ILE 22 114.019 -9.360 -8.178 163 HG23 ILE 22 HG23 ILE 22 113.400 -9.787 -9.773 164 HD11 ILE 22 HD11 ILE 22 113.781 -10.384 -11.685 165 HD12 ILE 22 HD12 ILE 22 114.499 -11.945 -11.289 166 HD13 ILE 22 HD13 ILE 22 114.972 -11.105 -12.766 167 H ASN 23 HN ASN 23 118.658 -9.381 -10.245 168 HA ASN 23 HA ASN 23 119.704 -12.071 -10.175 169 HB2 ASN 23 HB2 ASN 23 120.148 -10.555 -12.064 170 HB3 ASN 23 HB1 ASN 23 121.050 -9.480 -10.995 171 HD21 ASN 23 HD21 ASN 23 123.231 -9.765 -11.525 172 HD22 ASN 23 HD22 ASN 23 123.996 -11.272 -11.682 173 H GLU 24 HN GLU 24 120.643 -9.036 -8.540 174 HA GLU 24 HA GLU 24 122.962 -9.885 -7.243 175 HB2 GLU 24 HB2 GLU 24 120.736 -8.126 -6.164 176 HB3 GLU 24 HB1 GLU 24 122.338 -8.263 -5.437 177 HG2 GLU 24 HG2 GLU 24 121.810 -7.389 -8.293 178 HG3 GLU 24 HG1 GLU 24 122.151 -6.293 -6.953 179 H ILE 25 HN ILE 25 119.603 -10.264 -6.017 180 HA ILE 25 HA ILE 25 120.379 -11.695 -3.668 181 HB ILE 25 HB ILE 25 117.982 -12.521 -3.705 182 HG12 ILE 25 HG12 ILE 25 117.837 -10.778 -6.177 183 HG13 ILE 25 HG11 ILE 25 117.779 -12.540 -6.194 184 HG21 ILE 25 HG21 ILE 25 118.868 -10.247 -2.809 185 HG22 ILE 25 HG22 ILE 25 117.133 -10.433 -3.041 186 HG23 ILE 25 HG23 ILE 25 118.095 -9.561 -4.235 187 HD11 ILE 25 HD11 ILE 25 115.750 -10.603 -5.140 188 HD12 ILE 25 HD12 ILE 25 115.838 -12.231 -4.466 189 HD13 ILE 25 HD13 ILE 25 115.513 -12.004 -6.185 190 H SER 26 HN SER 26 119.431 -12.833 -6.906 191 HA SER 26 HA SER 26 119.537 -15.625 -6.340 192 HB2 SER 26 HB2 SER 26 120.221 -14.178 -8.918 193 HB3 SER 26 HB1 SER 26 119.891 -15.903 -8.773 194 HG SER 26 HG SER 26 117.826 -15.488 -8.581 195 H ASN 27 HN ASN 27 122.079 -13.373 -7.436 196 HA ASN 27 HA ASN 27 124.134 -15.456 -7.353 197 HB2 ASN 27 HB2 ASN 27 124.042 -13.247 -8.790 198 HB3 ASN 27 HB1 ASN 27 124.774 -12.528 -7.353 199 HD21 ASN 27 HD21 ASN 27 126.891 -12.245 -8.303 200 HD22 ASN 27 HD22 ASN 27 127.881 -13.562 -8.708 201 H LYS 28 HN LYS 28 123.751 -12.383 -5.568 202 HA LYS 28 HA LYS 28 125.603 -12.751 -3.545 203 HB2 LYS 28 HB2 LYS 28 123.919 -10.823 -3.871 204 HB3 LYS 28 HB1 LYS 28 122.814 -11.791 -2.897 205 HG2 LYS 28 HG2 LYS 28 123.844 -10.527 -1.242 206 HG3 LYS 28 HG1 LYS 28 124.891 -11.946 -1.265 207 HD2 LYS 28 HD2 LYS 28 126.473 -10.805 -2.730 208 HD3 LYS 28 HD1 LYS 28 125.402 -9.408 -2.844 209 HE2 LYS 28 HE2 LYS 28 125.620 -9.042 -0.412 210 HE3 LYS 28 HE1 LYS 28 126.696 -10.434 -0.299 211 HZ1 LYS 28 HZ1 LYS 28 128.393 -9.186 -0.935 212 HZ2 LYS 28 HZ2 LYS 28 127.384 -7.820 -0.888 213 HZ3 LYS 28 HZ3 LYS 28 127.578 -8.687 -2.335 214 H SER 29 HN SER 29 122.916 -14.765 -4.188 215 HA SER 29 HA SER 29 123.095 -15.976 -1.461 216 HB2 SER 29 HB2 SER 29 120.931 -17.022 -1.992 217 HB3 SER 29 HB1 SER 29 120.829 -15.273 -2.173 218 HG SER 29 HG SER 29 121.353 -17.112 -4.276 219 H SER 30 HN SER 30 123.209 -16.673 -4.933 220 HA SER 30 HA SER 30 123.524 -19.501 -4.747 221 HB2 SER 30 HB2 SER 30 124.665 -17.584 -6.793 222 HB3 SER 30 HB1 SER 30 124.574 -19.328 -6.988 223 HG SER 30 HG SER 30 122.768 -17.729 -7.731 224 H ASN 31 HN ASN 31 125.969 -16.904 -4.762 225 HA ASN 31 HA ASN 31 128.120 -18.864 -4.292 226 HB2 ASN 31 HB2 ASN 31 128.607 -16.939 -5.718 227 HB3 ASN 31 HB1 ASN 31 128.148 -15.833 -4.422 228 HD21 ASN 31 HD21 ASN 31 130.722 -15.537 -5.379 229 HD22 ASN 31 HD22 ASN 31 131.848 -16.155 -4.270 230 H ASN 32 HN ASN 32 126.970 -15.942 -2.561 231 HA ASN 32 HA ASN 32 127.942 -17.215 -0.028 232 HB2 ASN 32 HB2 ASN 32 127.779 -14.866 0.888 233 HB3 ASN 32 HB1 ASN 32 128.975 -15.068 -0.394 234 HD21 ASN 32 HD21 ASN 32 127.491 -12.571 0.347 235 HD22 ASN 32 HD22 ASN 32 126.657 -12.102 -1.056 236 H GLN 33 HN GLN 33 126.109 -18.471 0.478 237 HA GLN 33 HA GLN 33 123.418 -17.399 0.360 238 HB2 GLN 33 HB2 GLN 33 122.982 -19.442 1.917 239 HB3 GLN 33 HB1 GLN 33 123.510 -19.749 0.262 240 HG2 GLN 33 HG2 GLN 33 125.795 -20.087 0.984 241 HG3 GLN 33 HG1 GLN 33 125.399 -19.579 2.626 242 HE21 GLN 33 HE21 GLN 33 126.463 -22.004 2.713 243 HE22 GLN 33 HE22 GLN 33 125.307 -23.242 2.810 244 H GLN 34 HN GLN 34 123.364 -15.462 1.582 245 HA GLN 34 HA GLN 34 123.276 -15.868 4.500 246 HB2 GLN 34 HB2 GLN 34 124.786 -14.007 4.980 247 HB3 GLN 34 HB1 GLN 34 125.633 -15.213 4.011 248 HG2 GLN 34 HG2 GLN 34 125.117 -13.888 1.966 249 HG3 GLN 34 HG1 GLN 34 124.368 -12.655 2.982 250 HE21 GLN 34 HE21 GLN 34 126.178 -11.255 1.990 251 HE22 GLN 34 HE22 GLN 34 127.691 -11.275 2.757 252 H ASP 35 HN ASP 35 122.998 -13.226 5.276 253 HA ASP 35 HA ASP 35 120.365 -12.600 4.147 254 HB2 ASP 35 HB2 ASP 35 121.909 -10.991 6.195 255 HB3 ASP 35 HB1 ASP 35 120.165 -11.037 5.944 256 H ILE 36 HN ILE 36 119.887 -10.809 2.862 257 HA ILE 36 HA ILE 36 122.158 -9.547 1.489 258 HB ILE 36 HB ILE 36 119.249 -8.760 1.226 259 HG12 ILE 36 HG12 ILE 36 119.371 -11.207 1.022 260 HG13 ILE 36 HG11 ILE 36 119.098 -10.484 -0.561 261 HG21 ILE 36 HG21 ILE 36 120.747 -7.301 0.052 262 HG22 ILE 36 HG22 ILE 36 120.057 -8.382 -1.159 263 HG23 ILE 36 HG23 ILE 36 121.691 -8.658 -0.559 264 HD11 ILE 36 HD11 ILE 36 121.603 -10.579 -0.926 265 HD12 ILE 36 HD12 ILE 36 120.814 -12.148 -0.834 266 HD13 ILE 36 HD13 ILE 36 121.710 -11.535 0.550 267 H VAL 37 HN VAL 37 123.138 -7.737 2.255 268 HA VAL 37 HA VAL 37 121.579 -6.007 4.138 269 HB VAL 37 HB VAL 37 124.566 -6.462 3.980 270 HG11 VAL 37 HG11 VAL 37 124.194 -4.223 4.727 271 HG12 VAL 37 HG12 VAL 37 124.460 -5.175 6.188 272 HG13 VAL 37 HG13 VAL 37 122.823 -4.709 5.724 273 HG21 VAL 37 HG21 VAL 37 124.304 -7.655 6.070 274 HG22 VAL 37 HG22 VAL 37 123.171 -8.352 4.912 275 HG23 VAL 37 HG23 VAL 37 122.592 -7.236 6.149 276 H CYS 38 HN CYS 38 121.207 -3.960 3.486 277 HA CYS 38 HA CYS 38 122.741 -2.940 1.131 278 HB2 CYS 38 HB2 CYS 38 120.092 -2.125 2.361 279 HB3 CYS 38 HB1 CYS 38 120.918 -1.176 1.122 280 H THR 39 HN THR 39 124.597 -2.024 2.045 281 HA THR 39 HA THR 39 124.311 -0.380 4.479 282 HB THR 39 HB THR 39 126.757 -1.115 2.841 283 HG1 THR 39 HG1 THR 39 127.000 -2.269 5.037 284 HG21 THR 39 HG21 THR 39 127.818 -0.427 5.147 285 HG22 THR 39 HG22 THR 39 126.334 0.508 5.329 286 HG23 THR 39 HG23 THR 39 127.411 0.818 3.966 287 H VAL 40 HN VAL 40 123.860 1.732 4.300 288 HA VAL 40 HA VAL 40 125.062 3.245 2.011 289 HB VAL 40 HB VAL 40 122.914 4.546 1.841 290 HG11 VAL 40 HG11 VAL 40 123.405 2.791 0.216 291 HG12 VAL 40 HG12 VAL 40 121.687 2.754 0.612 292 HG13 VAL 40 HG13 VAL 40 122.779 1.561 1.314 293 HG21 VAL 40 HG21 VAL 40 121.595 2.254 3.277 294 HG22 VAL 40 HG22 VAL 40 120.973 3.876 2.973 295 HG23 VAL 40 HG23 VAL 40 122.213 3.623 4.200 296 H LYS 41 HN LYS 41 125.345 5.538 2.506 297 HA LYS 41 HA LYS 41 125.602 5.985 5.439 298 HB2 LYS 41 HB2 LYS 41 126.942 7.096 2.998 299 HB3 LYS 41 HB1 LYS 41 126.857 8.113 4.437 300 HG2 LYS 41 HG2 LYS 41 128.922 6.851 4.531 301 HG3 LYS 41 HG1 LYS 41 127.833 6.211 5.760 302 HD2 LYS 41 HD2 LYS 41 127.164 4.392 4.239 303 HD3 LYS 41 HD1 LYS 41 128.238 5.035 2.993 304 HE2 LYS 41 HE2 LYS 41 130.177 4.683 4.460 305 HE3 LYS 41 HE1 LYS 41 129.119 4.078 5.734 306 HZ1 LYS 41 HZ1 LYS 41 130.309 2.501 3.972 307 HZ2 LYS 41 HZ2 LYS 41 128.866 2.809 3.129 308 HZ3 LYS 41 HZ3 LYS 41 128.816 2.124 4.683 309 H ALA 42 HN ALA 42 124.075 7.184 6.425 310 HA ALA 42 HA ALA 42 122.262 8.840 4.758 311 HB1 ALA 42 HB1 ALA 42 122.126 8.026 7.676 312 HB2 ALA 42 HB2 ALA 42 121.205 7.316 6.351 313 HB3 ALA 42 HB3 ALA 42 120.905 8.983 6.840 314 H HIS 43 HN HIS 43 121.683 11.041 5.619 315 HA HIS 43 HA HIS 43 123.909 12.304 7.155 316 HB2 HIS 43 HB2 HIS 43 124.054 12.568 4.567 317 HB3 HIS 43 HB1 HIS 43 122.700 13.680 4.765 318 HD1 HIS 43 HD1 HIS 43 126.101 13.144 6.430 319 HD2 HIS 43 HD2 HIS 43 123.566 16.244 5.260 320 HE1 HIS 43 HE1 HIS 43 127.305 15.305 6.985 321 HE2 HIS 43 HE2 HIS 43 125.770 17.196 6.278 322 H ALA 44 HN ALA 44 123.275 14.300 8.200 323 HA ALA 44 HA ALA 44 120.739 14.261 9.429 324 HB1 ALA 44 HB1 ALA 44 123.023 15.747 9.739 325 HB2 ALA 44 HB2 ALA 44 121.511 16.075 10.578 326 HB3 ALA 44 HB3 ALA 44 121.911 16.959 9.107 327 H ASN 45 HN ASN 45 121.699 15.606 6.349 328 HA ASN 45 HA ASN 45 119.055 16.957 6.083 329 HB2 ASN 45 HB2 ASN 45 121.598 17.095 4.438 330 HB3 ASN 45 HB1 ASN 45 120.092 17.885 3.967 331 HD21 ASN 45 HD21 ASN 45 122.448 19.413 4.544 332 HD22 ASN 45 HD22 ASN 45 122.171 20.305 5.961 333 H ASP 46 HN ASP 46 120.862 14.201 5.012 334 HA ASP 46 HA ASP 46 119.317 13.713 2.601 335 HB2 ASP 46 HB2 ASP 46 121.221 12.061 4.255 336 HB3 ASP 46 HB1 ASP 46 120.351 11.361 2.897 337 H LEU 47 HN LEU 47 117.451 12.502 2.380 338 HA LEU 47 HA LEU 47 115.981 11.830 4.827 339 HB2 LEU 47 HB2 LEU 47 115.279 11.401 1.904 340 HB3 LEU 47 HB1 LEU 47 114.182 11.145 3.261 341 HG LEU 47 HG LEU 47 115.510 13.785 2.576 342 HD11 LEU 47 HD11 LEU 47 113.654 12.820 1.027 343 HD12 LEU 47 HD12 LEU 47 113.464 14.469 1.626 344 HD13 LEU 47 HD13 LEU 47 112.570 13.149 2.379 345 HD21 LEU 47 HD21 LEU 47 113.726 12.819 4.786 346 HD22 LEU 47 HD22 LEU 47 113.542 14.478 4.215 347 HD23 LEU 47 HD23 LEU 47 115.089 13.934 4.861 348 H ILE 48 HN ILE 48 115.407 9.676 5.461 349 HA ILE 48 HA ILE 48 116.984 7.528 4.074 350 HB ILE 48 HB ILE 48 117.197 6.450 6.298 351 HG12 ILE 48 HG12 ILE 48 116.063 9.053 7.366 352 HG13 ILE 48 HG11 ILE 48 115.144 7.552 7.264 353 HG21 ILE 48 HG21 ILE 48 118.176 9.310 6.394 354 HG22 ILE 48 HG22 ILE 48 118.906 8.082 5.362 355 HG23 ILE 48 HG23 ILE 48 118.929 7.886 7.113 356 HD11 ILE 48 HD11 ILE 48 116.459 8.205 9.483 357 HD12 ILE 48 HD12 ILE 48 117.808 7.470 8.622 358 HD13 ILE 48 HD13 ILE 48 116.353 6.530 8.945 359 H GLY 49 HN GLY 49 115.954 5.568 3.745 360 HA2 GLY 49 HA2 GLY 49 113.555 4.691 4.999 361 HA3 GLY 49 HA1 GLY 49 113.104 5.552 3.526 362 H PHE 50 HN PHE 50 112.337 3.163 3.122 363 HA PHE 50 HA PHE 50 114.132 2.029 1.167 364 HB2 PHE 50 HB2 PHE 50 114.620 -0.097 2.234 365 HB3 PHE 50 HB1 PHE 50 115.191 1.201 3.281 366 HD1 PHE 50 HD1 PHE 50 112.651 -1.420 2.820 367 HD2 PHE 50 HD2 PHE 50 114.048 1.737 5.374 368 HE1 PHE 50 HE1 PHE 50 111.217 -2.271 4.655 369 HE2 PHE 50 HE2 PHE 50 112.614 0.887 7.209 370 HZ PHE 50 HZ PHE 50 111.199 -1.118 6.851 371 H LYS 51 HN LYS 51 113.178 -0.093 0.290 372 HA LYS 51 HA LYS 51 110.268 -0.354 0.867 373 HB2 LYS 51 HB2 LYS 51 110.390 1.260 -0.965 374 HB3 LYS 51 HB1 LYS 51 111.419 0.167 -1.889 375 HG2 LYS 51 HG2 LYS 51 109.614 -1.492 -1.971 376 HG3 LYS 51 HG1 LYS 51 108.588 -0.445 -0.990 377 HD2 LYS 51 HD2 LYS 51 108.695 1.295 -2.750 378 HD3 LYS 51 HD1 LYS 51 109.690 0.222 -3.735 379 HE2 LYS 51 HE2 LYS 51 106.920 -0.502 -2.746 380 HE3 LYS 51 HE1 LYS 51 107.241 0.190 -4.336 381 HZ1 LYS 51 HZ1 LYS 51 107.494 -2.486 -3.501 382 HZ2 LYS 51 HZ2 LYS 51 109.021 -1.914 -3.977 383 HZ3 LYS 51 HZ3 LYS 51 107.707 -1.836 -5.053 384 H CYS 52 HN CYS 52 109.493 -2.440 0.505 385 HA CYS 52 HA CYS 52 111.456 -4.434 -0.541 386 HB2 CYS 52 HB2 CYS 52 109.565 -4.594 1.821 387 HB3 CYS 52 HB1 CYS 52 110.276 -6.031 1.090 388 HA PRO 53 HA PRO 53 108.395 -5.643 -3.508 389 HB2 PRO 53 HB2 PRO 53 108.449 -8.445 -3.086 390 HB3 PRO 53 HB1 PRO 53 109.443 -7.531 -4.234 391 HG2 PRO 53 HG2 PRO 53 110.120 -8.525 -1.529 392 HG3 PRO 53 HG1 PRO 53 111.149 -8.336 -2.954 393 HD2 PRO 53 HD2 PRO 53 111.295 -6.635 -0.868 394 HD3 PRO 53 HD1 PRO 53 111.511 -6.066 -2.542 395 H SER 54 HN SER 54 106.186 -6.270 -3.620 396 HA SER 54 HA SER 54 104.731 -6.109 -1.133 397 HB2 SER 54 HB2 SER 54 103.615 -6.983 -3.800 398 HB3 SER 54 HB1 SER 54 102.759 -6.197 -2.477 399 HG SER 54 HG SER 54 103.420 -4.349 -3.215 400 H ASN 55 HN ASN 55 106.152 -8.755 -2.773 401 HA ASN 55 HA ASN 55 104.206 -10.709 -1.706 402 HB2 ASN 55 HB2 ASN 55 106.758 -11.052 -3.309 403 HB3 ASN 55 HB1 ASN 55 105.704 -12.379 -2.817 404 HD21 ASN 55 HD21 ASN 55 106.355 -10.595 -5.473 405 HD22 ASN 55 HD22 ASN 55 104.818 -10.530 -6.190 406 H TYR 56 HN TYR 56 106.752 -9.032 -0.434 407 HA TYR 56 HA TYR 56 107.639 -11.315 1.287 408 HB2 TYR 56 HB2 TYR 56 108.942 -8.744 0.455 409 HB3 TYR 56 HB1 TYR 56 109.461 -9.572 1.924 410 HD1 TYR 56 HD1 TYR 56 108.638 -10.364 -1.657 411 HD2 TYR 56 HD2 TYR 56 111.139 -11.170 1.737 412 HE1 TYR 56 HE1 TYR 56 109.976 -11.945 -3.019 413 HE2 TYR 56 HE2 TYR 56 112.476 -12.756 0.379 414 HH TYR 56 HH TYR 56 112.538 -12.827 -2.822 415 H SER 57 HN SER 57 107.990 -10.773 3.613 416 HA SER 57 HA SER 57 105.816 -8.962 4.566 417 HB2 SER 57 HB2 SER 57 105.959 -11.459 5.242 418 HB3 SER 57 HB1 SER 57 107.314 -10.968 6.253 419 HG SER 57 HG SER 57 104.600 -10.283 6.417 420 H VAL 58 HN VAL 58 106.343 -7.148 5.754 421 HA VAL 58 HA VAL 58 109.222 -6.575 6.070 422 HB VAL 58 HB VAL 58 108.593 -4.303 6.411 423 HG11 VAL 58 HG11 VAL 58 106.433 -5.230 4.533 424 HG12 VAL 58 HG12 VAL 58 108.132 -5.450 4.111 425 HG13 VAL 58 HG13 VAL 58 107.496 -3.830 4.395 426 HG21 VAL 58 HG21 VAL 58 106.878 -4.301 8.000 427 HG22 VAL 58 HG22 VAL 58 105.932 -5.509 7.125 428 HG23 VAL 58 HG23 VAL 58 106.005 -3.846 6.539 429 H GLU 59 HN GLU 59 110.190 -7.182 7.895 430 HA GLU 59 HA GLU 59 108.678 -7.016 10.466 431 HB2 GLU 59 HB2 GLU 59 110.655 -9.046 9.464 432 HB3 GLU 59 HB1 GLU 59 110.462 -8.781 11.195 433 HG2 GLU 59 HG2 GLU 59 109.005 -10.608 10.445 434 HG3 GLU 59 HG1 GLU 59 108.036 -9.236 10.982 435 HA PRO 60 HA PRO 60 112.036 -4.104 11.155 436 HB2 PRO 60 HB2 PRO 60 111.333 -3.253 13.633 437 HB3 PRO 60 HB1 PRO 60 110.426 -2.779 12.180 438 HG2 PRO 60 HG2 PRO 60 109.792 -4.858 14.216 439 HG3 PRO 60 HG1 PRO 60 108.715 -3.705 13.409 440 HD2 PRO 60 HD2 PRO 60 108.965 -6.350 12.657 441 HD3 PRO 60 HD1 PRO 60 108.451 -5.048 11.558 442 H HIS 61 HN HIS 61 114.019 -5.050 11.529 443 HA HIS 61 HA HIS 61 114.354 -6.803 13.901 444 HB2 HIS 61 HB2 HIS 61 115.277 -7.277 11.495 445 HB3 HIS 61 HB1 HIS 61 116.544 -6.142 11.953 446 HD1 HIS 61 HD1 HIS 61 115.917 -9.624 11.989 447 HD2 HIS 61 HD2 HIS 61 117.560 -6.992 14.777 448 HE1 HIS 61 HE1 HIS 61 117.244 -11.038 13.622 449 HE2 HIS 61 HE2 HIS 61 118.247 -9.443 15.319 450 H ASP 62 HN ASP 62 115.090 -3.652 12.687 451 HA ASP 62 HA ASP 62 115.915 -2.693 15.285 452 HB2 ASP 62 HB2 ASP 62 118.019 -3.828 14.561 453 HB3 ASP 62 HB1 ASP 62 118.051 -2.803 13.126 454 H CYS 63 HN CYS 63 113.936 -2.033 13.357 455 HA CYS 63 HA CYS 63 114.676 0.166 11.680 456 HB2 CYS 63 HB2 CYS 63 112.006 -0.549 12.925 457 HB3 CYS 63 HB1 CYS 63 112.227 0.658 11.661 458 H PHE 64 HN PHE 64 112.661 2.119 12.597 459 HA PHE 64 HA PHE 64 114.221 3.226 14.898 460 HB2 PHE 64 HB2 PHE 64 113.216 5.443 14.044 461 HB3 PHE 64 HB1 PHE 64 114.527 4.713 13.119 462 HD1 PHE 64 HD2 PHE 64 113.963 3.299 11.089 463 HD2 PHE 64 HD1 PHE 64 111.066 5.759 13.091 464 HE1 PHE 64 HE2 PHE 64 112.499 3.203 9.089 465 HE2 PHE 64 HE1 PHE 64 109.603 5.665 11.090 466 HZ PHE 64 HZ PHE 64 110.320 4.388 9.090 467 H VAL 65 HN VAL 65 110.863 3.509 13.589 468 HA VAL 65 HA VAL 65 109.656 4.564 15.873 469 HB VAL 65 HB VAL 65 108.618 2.498 13.921 470 HG11 VAL 65 HG11 VAL 65 107.382 2.030 15.916 471 HG12 VAL 65 HG12 VAL 65 106.348 3.082 14.950 472 HG13 VAL 65 HG13 VAL 65 107.248 3.742 16.316 473 HG21 VAL 65 HG21 VAL 65 108.959 4.812 13.110 474 HG22 VAL 65 HG22 VAL 65 107.956 5.418 14.429 475 HG23 VAL 65 HG23 VAL 65 107.243 4.409 13.170 476 H SER 66 HN SER 66 109.411 1.064 15.244 477 HA SER 66 HA SER 66 110.209 0.554 18.069 478 HB2 SER 66 HB2 SER 66 107.712 0.550 17.931 479 HB3 SER 66 HB1 SER 66 107.809 -0.705 16.700 480 HG SER 66 HG SER 66 108.913 -0.892 19.312 481 H ALA 67 HN ALA 67 111.641 -1.168 18.181 482 HA ALA 67 HA ALA 67 111.569 -3.387 16.344 483 HB1 ALA 67 HB1 ALA 67 113.968 -1.639 15.888 484 HB2 ALA 67 HB2 ALA 67 112.481 -1.325 15.001 485 HB3 ALA 67 HB3 ALA 67 113.286 -2.885 14.842 486 H PHE 68 HN PHE 68 113.908 -4.482 16.427 487 HA PHE 68 HA PHE 68 114.554 -4.697 19.313 488 HB2 PHE 68 HB2 PHE 68 115.695 -6.370 17.063 489 HB3 PHE 68 HB1 PHE 68 115.614 -6.775 18.777 490 HD1 PHE 68 HD1 PHE 68 113.448 -6.016 15.828 491 HD2 PHE 68 HD2 PHE 68 113.776 -7.978 19.630 492 HE1 PHE 68 HE1 PHE 68 111.240 -7.095 15.463 493 HE2 PHE 68 HE2 PHE 68 111.570 -9.052 19.267 494 HZ PHE 68 HZ PHE 68 110.304 -8.603 17.173 495 H ASN 69 HN ASN 69 116.329 -3.645 20.119 496 HA ASN 69 HA ASN 69 118.063 -2.121 18.388 497 HB2 ASN 69 HB2 ASN 69 118.202 -2.816 21.330 498 HB3 ASN 69 HB1 ASN 69 119.394 -1.788 20.533 499 HD21 ASN 69 HD21 ASN 69 117.671 -0.780 22.607 500 HD22 ASN 69 HD22 ASN 69 116.626 0.363 21.912 501 H LEU 70 HN LEU 70 120.615 -2.432 19.088 502 HA LEU 70 HA LEU 70 121.466 -4.771 17.687 503 HB2 LEU 70 HB2 LEU 70 123.099 -3.132 19.650 504 HB3 LEU 70 HB1 LEU 70 123.717 -4.138 18.339 505 HG LEU 70 HG LEU 70 121.972 -1.680 17.996 506 HD11 LEU 70 HD11 LEU 70 124.291 -1.168 18.698 507 HD12 LEU 70 HD12 LEU 70 123.997 -0.669 17.031 508 HD13 LEU 70 HD13 LEU 70 124.902 -2.146 17.363 509 HD21 LEU 70 HD21 LEU 70 122.845 -2.096 15.549 510 HD22 LEU 70 HD22 LEU 70 121.464 -3.017 16.151 511 HD23 LEU 70 HD23 LEU 70 123.066 -3.754 16.114 512 H SER 71 HN SER 71 120.649 -4.207 21.015 513 HA SER 71 HA SER 71 122.013 -6.612 22.003 514 HB2 SER 71 HB2 SER 71 120.933 -6.074 24.133 515 HB3 SER 71 HB1 SER 71 121.634 -4.609 23.453 516 HG SER 71 HG SER 71 119.695 -3.814 23.201 517 H GLY 72 HN GLY 72 119.239 -5.988 20.243 518 HA2 GLY 72 HA2 GLY 72 117.653 -7.570 19.460 519 HA3 GLY 72 HA1 GLY 72 118.257 -8.719 20.657 520 H LYS 73 HN LYS 73 117.586 -5.605 21.907 521 HA LYS 73 HA LYS 73 115.205 -6.698 23.306 522 HB2 LYS 73 HB2 LYS 73 116.717 -4.107 23.785 523 HB3 LYS 73 HB1 LYS 73 115.499 -4.822 24.843 524 HG2 LYS 73 HG2 LYS 73 118.014 -6.310 24.089 525 HG3 LYS 73 HG1 LYS 73 117.955 -5.232 25.484 526 HD2 LYS 73 HD2 LYS 73 116.024 -6.540 26.366 527 HD3 LYS 73 HD1 LYS 73 116.192 -7.657 25.016 528 HE2 LYS 73 HE2 LYS 73 118.476 -8.209 25.719 529 HE3 LYS 73 HE1 LYS 73 118.341 -7.074 27.062 530 HZ1 LYS 73 HZ1 LYS 73 117.683 -9.700 27.150 531 HZ2 LYS 73 HZ2 LYS 73 116.173 -8.951 26.937 532 HZ3 LYS 73 HZ3 LYS 73 117.161 -8.520 28.251 533 H ASN 74 HN ASN 74 113.152 -5.844 23.009 534 HA ASN 74 HA ASN 74 112.781 -4.159 20.644 535 HB2 ASN 74 HB2 ASN 74 111.257 -6.060 21.167 536 HB3 ASN 74 HB1 ASN 74 110.720 -5.197 22.610 537 HD21 ASN 74 HD21 ASN 74 108.876 -5.841 20.515 538 HD22 ASN 74 HD22 ASN 74 108.380 -4.395 19.775 539 H GLU 75 HN GLU 75 113.186 -2.010 20.900 540 HA GLU 75 HA GLU 75 111.703 -0.579 23.036 541 HB2 GLU 75 HB2 GLU 75 114.690 -0.329 22.550 542 HB3 GLU 75 HB1 GLU 75 113.753 0.778 23.553 543 HG2 GLU 75 HG2 GLU 75 113.970 -2.213 24.010 544 HG3 GLU 75 HG1 GLU 75 114.864 -0.989 24.905 545 H ASN 76 HN ASN 76 111.042 1.506 22.391 546 HA ASN 76 HA ASN 76 110.986 2.067 19.597 547 HB2 ASN 76 HB2 ASN 76 110.341 3.632 22.083 548 HB3 ASN 76 HB1 ASN 76 110.339 4.446 20.518 549 HD21 ASN 76 HD21 ASN 76 107.880 4.548 21.337 550 HD22 ASN 76 HD22 ASN 76 106.890 3.289 20.774 551 H LEU 77 HN LEU 77 112.127 3.671 18.382 552 HA LEU 77 HA LEU 77 114.829 4.277 19.497 553 HB2 LEU 77 HB2 LEU 77 114.392 3.129 17.196 554 HB3 LEU 77 HB1 LEU 77 113.987 4.753 16.643 555 HG LEU 77 HG LEU 77 116.210 5.539 17.490 556 HD11 LEU 77 HD11 LEU 77 117.072 4.107 19.062 557 HD12 LEU 77 HD12 LEU 77 117.795 3.336 17.651 558 HD13 LEU 77 HD13 LEU 77 116.313 2.689 18.343 559 HD21 LEU 77 HD21 LEU 77 115.809 4.839 15.110 560 HD22 LEU 77 HD22 LEU 77 116.405 3.233 15.534 561 HD23 LEU 77 HD23 LEU 77 117.479 4.626 15.632 562 H GLU 78 HN GLU 78 111.971 5.780 19.562 563 HA GLU 78 HA GLU 78 112.569 8.365 18.420 564 HB2 GLU 78 HB2 GLU 78 110.583 9.149 19.562 565 HB3 GLU 78 HB1 GLU 78 110.253 7.540 18.922 566 HG2 GLU 78 HG2 GLU 78 110.817 6.583 21.162 567 HG3 GLU 78 HG1 GLU 78 110.994 8.225 21.780 568 H ASN 79 HN ASN 79 112.882 7.025 21.703 569 HA ASN 79 HA ASN 79 113.687 9.464 22.962 570 HB2 ASN 79 HB2 ASN 79 114.630 8.013 24.718 571 HB3 ASN 79 HB1 ASN 79 113.039 7.430 24.225 572 HD21 ASN 79 HD21 ASN 79 114.721 5.561 25.410 573 HD22 ASN 79 HD22 ASN 79 115.310 4.477 24.244 574 H LYS 80 HN LYS 80 115.364 7.202 20.907 575 HA LYS 80 HA LYS 80 118.024 8.262 21.580 576 HB2 LYS 80 HB2 LYS 80 117.731 5.880 20.946 577 HB3 LYS 80 HB1 LYS 80 117.154 6.387 19.362 578 HG2 LYS 80 HG2 LYS 80 119.304 7.472 18.892 579 HG3 LYS 80 HG1 LYS 80 119.888 7.028 20.499 580 HD2 LYS 80 HD2 LYS 80 119.617 4.636 19.933 581 HD3 LYS 80 HD1 LYS 80 119.056 5.089 18.324 582 HE2 LYS 80 HE2 LYS 80 121.205 6.181 17.858 583 HE3 LYS 80 HE1 LYS 80 121.773 5.778 19.478 584 HZ1 LYS 80 HZ1 LYS 80 121.106 3.382 18.715 585 HZ2 LYS 80 HZ2 LYS 80 122.614 4.040 18.296 586 HZ3 LYS 80 HZ3 LYS 80 121.347 4.029 17.167 587 H LEU 81 HN LEU 81 115.790 8.345 18.802 588 HA LEU 81 HA LEU 81 117.167 10.839 17.894 589 HB2 LEU 81 HB2 LEU 81 117.815 8.863 16.489 590 HB3 LEU 81 HB1 LEU 81 116.114 8.642 16.086 591 HG LEU 81 HG LEU 81 116.074 10.974 15.180 592 HD11 LEU 81 HD11 LEU 81 118.568 11.734 14.633 593 HD12 LEU 81 HD12 LEU 81 118.920 10.828 16.101 594 HD13 LEU 81 HD13 LEU 81 117.794 12.184 16.151 595 HD21 LEU 81 HD21 LEU 81 116.522 8.921 13.772 596 HD22 LEU 81 HD22 LEU 81 118.239 9.267 13.933 597 HD23 LEU 81 HD23 LEU 81 117.190 10.412 13.110 598 H LYS 82 HN LYS 82 115.712 12.492 17.669 599 HA LYS 82 HA LYS 82 112.845 11.905 17.945 600 HB2 LYS 82 HB2 LYS 82 114.390 14.498 17.650 601 HB3 LYS 82 HB1 LYS 82 112.638 14.418 17.841 602 HG2 LYS 82 HG2 LYS 82 112.918 13.231 19.984 603 HG3 LYS 82 HG1 LYS 82 114.671 13.305 19.798 604 HD2 LYS 82 HD2 LYS 82 114.598 15.755 19.831 605 HD3 LYS 82 HD1 LYS 82 112.837 15.717 19.947 606 HE2 LYS 82 HE2 LYS 82 113.800 16.057 22.173 607 HE3 LYS 82 HE1 LYS 82 113.033 14.470 22.092 608 HZ1 LYS 82 HZ1 LYS 82 115.553 14.911 22.915 609 HZ2 LYS 82 HZ2 LYS 82 115.803 14.501 21.285 610 HZ3 LYS 82 HZ3 LYS 82 114.983 13.430 22.316 611 H LEU 83 HN LEU 83 112.563 10.745 15.915 612 HA LEU 83 HA LEU 83 113.103 12.057 13.377 613 HB2 LEU 83 HB2 LEU 83 111.435 9.631 14.097 614 HB3 LEU 83 HB1 LEU 83 111.730 10.164 12.442 615 HG LEU 83 HG LEU 83 113.909 9.473 14.436 616 HD11 LEU 83 HD11 LEU 83 114.146 7.383 13.286 617 HD12 LEU 83 HD12 LEU 83 113.012 7.870 12.030 618 HD13 LEU 83 HD13 LEU 83 112.430 7.547 13.661 619 HD21 LEU 83 HD21 LEU 83 114.972 10.847 12.907 620 HD22 LEU 83 HD22 LEU 83 113.836 10.475 11.615 621 HD23 LEU 83 HD23 LEU 83 115.093 9.317 12.041 622 H THR 84 HN THR 84 111.604 13.031 11.979 623 HA THR 84 HA THR 84 108.897 13.600 13.141 624 HB THR 84 HB THR 84 109.039 15.880 12.306 625 HG1 THR 84 HG1 THR 84 110.281 16.062 10.626 626 HG21 THR 84 HG21 THR 84 111.376 14.922 13.953 627 HG22 THR 84 HG22 THR 84 109.916 15.751 14.494 628 HG23 THR 84 HG23 THR 84 111.149 16.633 13.593 629 H ASN 85 HN ASN 85 107.274 14.137 11.456 630 HA ASN 85 HA ASN 85 106.160 13.560 9.467 631 HB2 ASN 85 HB2 ASN 85 108.950 14.076 8.409 632 HB3 ASN 85 HB1 ASN 85 107.538 13.846 7.382 633 HD21 ASN 85 HD21 ASN 85 109.004 16.324 7.410 634 HD22 ASN 85 HD22 ASN 85 107.997 17.525 8.062 635 H ILE 86 HN ILE 86 106.718 11.346 10.936 636 HA ILE 86 HA ILE 86 108.251 9.381 9.430 637 HB ILE 86 HB ILE 86 106.305 9.085 11.737 638 HG12 ILE 86 HG12 ILE 86 109.332 8.948 11.711 639 HG13 ILE 86 HG11 ILE 86 108.439 10.420 12.090 640 HG21 ILE 86 HG21 ILE 86 107.967 7.132 10.185 641 HG22 ILE 86 HG22 ILE 86 106.363 6.929 10.891 642 HG23 ILE 86 HG23 ILE 86 107.790 6.890 11.923 643 HD11 ILE 86 HD11 ILE 86 108.055 7.793 13.551 644 HD12 ILE 86 HD12 ILE 86 107.369 9.358 13.985 645 HD13 ILE 86 HD13 ILE 86 109.107 9.090 14.119 646 H ILE 87 HN ILE 87 107.517 8.144 7.780 647 HA ILE 87 HA ILE 87 104.554 8.009 7.309 648 HB ILE 87 HB ILE 87 106.799 7.923 5.265 649 HG12 ILE 87 HG12 ILE 87 106.561 10.177 6.170 650 HG13 ILE 87 HG11 ILE 87 105.867 10.131 4.550 651 HG21 ILE 87 HG21 ILE 87 105.001 6.652 4.399 652 HG22 ILE 87 HG22 ILE 87 104.778 8.257 3.704 653 HG23 ILE 87 HG23 ILE 87 103.793 7.746 5.074 654 HD11 ILE 87 HD11 ILE 87 103.634 9.570 5.830 655 HD12 ILE 87 HD12 ILE 87 104.192 11.237 5.734 656 HD13 ILE 87 HD13 ILE 87 104.468 10.298 7.200 657 H MET 88 HN MET 88 103.808 5.947 7.658 658 HA MET 88 HA MET 88 105.667 3.679 7.002 659 HB2 MET 88 HB2 MET 88 103.576 3.746 9.197 660 HB3 MET 88 HB1 MET 88 104.683 2.420 8.842 661 HG2 MET 88 HG2 MET 88 106.604 3.872 9.356 662 HG3 MET 88 HG1 MET 88 105.510 5.208 9.688 663 HE1 MET 88 HE1 MET 88 106.371 1.468 12.133 664 HE2 MET 88 HE2 MET 88 106.972 1.941 10.546 665 HE3 MET 88 HE3 MET 88 105.352 1.266 10.701 666 H ASP 89 HN ASP 89 104.887 2.862 5.115 667 HA ASP 89 HA ASP 89 101.923 2.446 4.886 668 HB2 ASP 89 HB2 ASP 89 104.044 2.893 2.776 669 HB3 ASP 89 HB1 ASP 89 102.424 2.315 2.394 670 H HIS 90 HN HIS 90 101.693 0.354 5.665 671 HA HIS 90 HA HIS 90 103.646 -1.724 5.186 672 HB2 HIS 90 HB2 HIS 90 100.783 -1.815 6.160 673 HB3 HIS 90 HB1 HIS 90 101.831 -3.231 6.076 674 HD1 HIS 90 HD1 HIS 90 104.069 -3.115 7.556 675 HD2 HIS 90 HD2 HIS 90 101.214 -0.192 8.394 676 HE1 HIS 90 HE1 HIS 90 104.692 -2.128 9.806 677 HE2 HIS 90 HE2 HIS 90 102.962 -0.347 10.325 678 H TYR 91 HN TYR 91 100.614 -0.790 3.595 679 HA TYR 91 HA TYR 91 100.342 -3.109 1.961 680 HB2 TYR 91 HB2 TYR 91 98.539 -1.470 2.138 681 HB3 TYR 91 HB1 TYR 91 99.550 -0.241 1.375 682 HD1 TYR 91 HD1 TYR 91 98.093 -3.639 0.800 683 HD2 TYR 91 HD2 TYR 91 99.601 -0.026 -0.967 684 HE1 TYR 91 HE1 TYR 91 97.381 -4.437 -1.439 685 HE2 TYR 91 HE2 TYR 91 98.890 -0.824 -3.205 686 HH TYR 91 HH TYR 91 97.686 -4.085 -3.697 687 H ASN 92 HN ASN 92 102.076 -0.043 1.359 688 HA ASN 92 HA ASN 92 103.154 -1.142 -1.163 689 HB2 ASN 92 HB2 ASN 92 103.455 1.521 0.243 690 HB3 ASN 92 HB1 ASN 92 104.361 1.108 -1.213 691 HD21 ASN 92 HD21 ASN 92 102.416 3.244 -1.161 692 HD22 ASN 92 HD22 ASN 92 101.126 2.800 -2.170 693 H ASN 93 HN ASN 93 103.887 -1.348 2.084 694 HA ASN 93 HA ASN 93 105.806 -2.017 3.254 695 HB2 ASN 93 HB2 ASN 93 106.396 -3.070 0.478 696 HB3 ASN 93 HB1 ASN 93 107.400 -3.435 1.881 697 HD21 ASN 93 HD21 ASN 93 105.955 -5.492 0.474 698 HD22 ASN 93 HD22 ASN 93 104.755 -6.098 1.511 699 H THR 94 HN THR 94 105.914 0.677 2.615 700 HA THR 94 HA THR 94 108.820 1.024 2.018 701 HB THR 94 HB THR 94 107.661 1.771 0.032 702 HG1 THR 94 HG1 THR 94 109.120 3.274 0.287 703 HG21 THR 94 HG21 THR 94 105.996 3.567 1.806 704 HG22 THR 94 HG22 THR 94 105.440 2.004 1.215 705 HG23 THR 94 HG23 THR 94 105.806 3.296 0.074 706 H PHE 95 HN PHE 95 109.874 2.372 3.440 707 HA PHE 95 HA PHE 95 108.171 3.869 5.414 708 HB2 PHE 95 HB2 PHE 95 110.754 2.370 5.959 709 HB3 PHE 95 HB1 PHE 95 109.830 3.296 7.143 710 HD1 PHE 95 HD1 PHE 95 109.766 0.314 4.933 711 HD2 PHE 95 HD2 PHE 95 107.837 2.413 8.143 712 HE1 PHE 95 HE1 PHE 95 108.334 -1.663 5.366 713 HE2 PHE 95 HE2 PHE 95 106.403 0.438 8.576 714 HZ PHE 95 HZ PHE 95 106.651 -1.601 7.187 715 H TYR 96 HN TYR 96 108.829 5.966 5.849 716 HA TYR 96 HA TYR 96 111.477 6.850 4.779 717 HB2 TYR 96 HB2 TYR 96 108.886 8.405 4.477 718 HB3 TYR 96 HB1 TYR 96 110.472 8.870 3.867 719 HD1 TYR 96 HD2 TYR 96 111.536 7.576 2.015 720 HD2 TYR 96 HD1 TYR 96 107.518 6.808 3.326 721 HE1 TYR 96 HE2 TYR 96 111.084 6.344 -0.090 722 HE2 TYR 96 HE1 TYR 96 107.066 5.579 1.220 723 HH TYR 96 HH TYR 96 109.312 4.390 -0.732 724 H SER 97 HN SER 97 112.448 8.513 6.021 725 HA SER 97 HA SER 97 110.915 9.732 8.228 726 HB2 SER 97 HB2 SER 97 111.780 7.607 9.188 727 HB3 SER 97 HB1 SER 97 113.415 8.091 8.750 728 HG SER 97 HG SER 97 112.315 10.113 10.037 729 H ARG 98 HN ARG 98 111.966 11.645 9.047 730 HA ARG 98 HA ARG 98 114.077 12.665 7.203 731 HB2 ARG 98 HB2 ARG 98 112.261 14.131 9.148 732 HB3 ARG 98 HB1 ARG 98 113.446 14.901 8.093 733 HG2 ARG 98 HG2 ARG 98 112.272 13.945 6.121 734 HG3 ARG 98 HG1 ARG 98 111.057 13.258 7.197 735 HD2 ARG 98 HD2 ARG 98 110.601 15.576 8.041 736 HD3 ARG 98 HD1 ARG 98 111.691 16.203 6.813 737 HE ARG 98 HE ARG 98 108.937 15.404 6.449 738 HH11 ARG 98 HH21 ARG 98 112.031 15.222 4.938 739 HH12 ARG 98 HH22 ARG 98 111.383 14.854 3.375 740 HH21 ARG 98 HH11 ARG 98 108.083 14.916 4.432 741 HH22 ARG 98 HH12 ARG 98 109.151 14.678 3.089 742 H LEU 99 HN LEU 99 116.106 13.073 7.956 743 HA LEU 99 HA LEU 99 116.705 12.396 10.760 744 HB2 LEU 99 HB2 LEU 99 118.408 12.916 8.327 745 HB3 LEU 99 HB1 LEU 99 119.114 12.747 9.928 746 HG LEU 99 HG LEU 99 117.404 10.678 8.525 747 HD11 LEU 99 HD11 LEU 99 119.606 9.387 8.670 748 HD12 LEU 99 HD12 LEU 99 120.371 10.925 9.063 749 HD13 LEU 99 HD13 LEU 99 119.568 10.714 7.508 750 HD21 LEU 99 HD21 LEU 99 118.544 9.360 10.584 751 HD22 LEU 99 HD22 LEU 99 116.988 10.167 10.738 752 HD23 LEU 99 HD23 LEU 99 118.457 10.967 11.307 753 HA PRO 100 HA PRO 100 116.776 16.626 12.219 754 HB2 PRO 100 HB2 PRO 100 119.299 15.739 13.565 755 HB3 PRO 100 HB1 PRO 100 117.901 16.596 14.243 756 HG2 PRO 100 HG2 PRO 100 118.309 13.990 14.668 757 HG3 PRO 100 HG1 PRO 100 116.685 14.678 14.513 758 HD2 PRO 100 HD2 PRO 100 118.167 12.955 12.609 759 HD3 PRO 100 HD1 PRO 100 116.417 13.209 12.788 760 H SER 101 HN SER 101 118.603 18.430 12.384 761 HA SER 101 HA SER 101 120.016 18.370 9.793 762 HB2 SER 101 HB2 SER 101 120.413 20.748 10.195 763 HB3 SER 101 HB1 SER 101 118.716 20.377 10.493 764 HG SER 101 HG SER 101 120.623 20.264 12.567 765 H LEU 102 HN LEU 102 120.725 17.609 13.018 766 HA LEU 102 HA LEU 102 123.650 17.824 12.431 767 HB2 LEU 102 HB2 LEU 102 123.016 19.650 13.950 768 HB3 LEU 102 HB1 LEU 102 122.267 18.490 15.046 769 HG LEU 102 HG LEU 102 124.432 17.408 15.424 770 HD11 LEU 102 HD11 LEU 102 125.263 19.297 13.245 771 HD12 LEU 102 HD12 LEU 102 125.688 17.600 13.475 772 HD13 LEU 102 HD13 LEU 102 126.444 18.842 14.474 773 HD21 LEU 102 HD21 LEU 102 124.911 20.377 15.681 774 HD22 LEU 102 HD22 LEU 102 125.362 19.091 16.799 775 HD23 LEU 102 HD23 LEU 102 123.672 19.573 16.646 776 H ILE 103 HN ILE 103 124.690 15.913 12.723 777 HA ILE 103 HA ILE 103 123.765 14.015 14.778 778 HB ILE 103 HB ILE 103 123.931 13.254 11.845 779 HG12 ILE 103 HG12 ILE 103 121.597 13.279 13.790 780 HG13 ILE 103 HG11 ILE 103 121.831 14.410 12.459 781 HG21 ILE 103 HG21 ILE 103 123.372 11.585 14.318 782 HG22 ILE 103 HG22 ILE 103 124.819 11.491 13.314 783 HG23 ILE 103 HG23 ILE 103 123.257 11.005 12.657 784 HD11 ILE 103 HD11 ILE 103 121.695 12.610 10.830 785 HD12 ILE 103 HD12 ILE 103 120.270 12.577 11.866 786 HD13 ILE 103 HD13 ILE 103 121.565 11.417 12.121 787 H SER 104 HN SER 104 125.721 13.903 15.843 788 HA SER 104 HA SER 104 128.186 13.548 14.184 789 HB2 SER 104 HB2 SER 104 129.424 14.340 16.117 790 HB3 SER 104 HB1 SER 104 128.123 15.479 15.778 791 HG SER 104 HG SER 104 127.935 13.333 17.627 792 H ASP 105 HN ASP 105 125.969 11.717 15.800 793 HA ASP 105 HA ASP 105 127.851 9.911 17.147 794 HB2 ASP 105 HB2 ASP 105 124.869 9.945 16.743 795 HB3 ASP 105 HB1 ASP 105 125.681 8.510 17.377 796 H ASN 106 HN ASN 106 128.137 7.683 16.525 797 HA ASN 106 HA ASN 106 127.927 7.286 13.574 798 HB2 ASN 106 HB2 ASN 106 129.645 5.971 15.697 799 HB3 ASN 106 HB1 ASN 106 129.571 5.407 14.029 800 HD21 ASN 106 HD21 ASN 106 132.007 6.409 15.162 801 HD22 ASN 106 HD22 ASN 106 132.401 7.862 14.379 802 H TRP 107 HN TRP 107 125.673 6.913 15.446 803 HA TRP 107 HA TRP 107 125.300 4.140 16.023 804 HB2 TRP 107 HB2 TRP 107 122.936 4.715 16.359 805 HB3 TRP 107 HB1 TRP 107 123.979 5.916 17.118 806 HD1 TRP 107 HD1 TRP 107 124.489 8.146 15.459 807 HE1 TRP 107 HE1 TRP 107 122.824 9.432 14.012 808 HE3 TRP 107 HE3 TRP 107 120.814 4.628 15.059 809 HZ2 TRP 107 HZ2 TRP 107 120.241 9.031 12.827 810 HZ3 TRP 107 HZ3 TRP 107 118.757 5.117 13.767 811 HH2 TRP 107 HH2 TRP 107 118.465 7.307 12.653 812 H LYS 108 HN LYS 108 123.732 2.702 14.994 813 HA LYS 108 HA LYS 108 123.181 3.245 12.124 814 HB2 LYS 108 HB2 LYS 108 124.101 1.098 11.445 815 HB3 LYS 108 HB1 LYS 108 125.354 1.990 12.308 816 HG2 LYS 108 HG2 LYS 108 124.742 0.758 14.391 817 HG3 LYS 108 HG1 LYS 108 123.595 -0.199 13.453 818 HD2 LYS 108 HD2 LYS 108 125.450 -0.960 11.990 819 HD3 LYS 108 HD1 LYS 108 126.587 -0.059 12.992 820 HE2 LYS 108 HE2 LYS 108 124.766 -2.256 14.019 821 HE3 LYS 108 HE1 LYS 108 126.467 -2.477 13.608 822 HZ1 LYS 108 HZ1 LYS 108 125.277 -1.204 15.912 823 HZ2 LYS 108 HZ2 LYS 108 126.563 -0.336 15.220 824 HZ3 LYS 108 HZ3 LYS 108 126.797 -1.936 15.741 825 H PHE 109 HN PHE 109 121.505 1.733 11.268 826 HA PHE 109 HA PHE 109 120.121 0.041 13.241 827 HB2 PHE 109 HB2 PHE 109 118.056 1.215 13.278 828 HB3 PHE 109 HB1 PHE 109 119.274 2.451 13.545 829 HD1 PHE 109 HD1 PHE 109 116.988 0.959 11.046 830 HD2 PHE 109 HD2 PHE 109 119.686 4.182 11.923 831 HE1 PHE 109 HE1 PHE 109 116.166 2.188 9.055 832 HE2 PHE 109 HE2 PHE 109 118.865 5.412 9.934 833 HZ PHE 109 HZ PHE 109 117.106 4.414 8.498 834 H PHE 110 HN PHE 110 118.312 -1.197 12.120 835 HA PHE 110 HA PHE 110 118.373 -1.047 9.183 836 HB2 PHE 110 HB2 PHE 110 118.924 -3.575 9.126 837 HB3 PHE 110 HB1 PHE 110 120.254 -2.456 9.416 838 HD1 PHE 110 HD2 PHE 110 121.092 -2.085 11.746 839 HD2 PHE 110 HD1 PHE 110 118.207 -5.123 10.805 840 HE1 PHE 110 HE2 PHE 110 121.564 -3.204 13.905 841 HE2 PHE 110 HE1 PHE 110 118.684 -6.235 12.966 842 HZ PHE 110 HZ PHE 110 120.357 -5.282 14.520 843 H CYS 111 HN CYS 111 116.829 -2.493 8.159 844 HA CYS 111 HA CYS 111 114.650 -3.443 9.978 845 HB2 CYS 111 HB2 CYS 111 114.421 -1.989 7.326 846 HB3 CYS 111 HB1 CYS 111 113.070 -2.822 8.099 847 H VAL 112 HN VAL 112 113.464 -5.334 9.069 848 HA VAL 112 HA VAL 112 115.059 -6.735 6.943 849 HB VAL 112 HB VAL 112 113.991 -7.815 9.547 850 HG11 VAL 112 HG11 VAL 112 114.828 -9.236 7.016 851 HG12 VAL 112 HG12 VAL 112 113.379 -9.493 7.989 852 HG13 VAL 112 HG13 VAL 112 114.951 -10.016 8.594 853 HG21 VAL 112 HG21 VAL 112 116.253 -6.754 9.507 854 HG22 VAL 112 HG22 VAL 112 116.730 -7.893 8.253 855 HG23 VAL 112 HG23 VAL 112 116.324 -8.480 9.864 856 H CYS 113 HN CYS 113 113.961 -7.801 5.403 857 HA CYS 113 HA CYS 113 110.982 -7.946 5.595 858 HB2 CYS 113 HB2 CYS 113 112.712 -7.490 3.138 859 HB3 CYS 113 HB1 CYS 113 110.967 -7.722 3.107 860 H SER 114 HN SER 114 110.222 -10.102 5.352 861 HA SER 114 HA SER 114 111.702 -12.022 3.755 862 HB2 SER 114 HB2 SER 114 112.472 -13.458 5.561 863 HB3 SER 114 HB1 SER 114 113.151 -11.846 5.770 864 HG SER 114 HG SER 114 111.810 -11.483 7.428 865 H LYS 115 HN LYS 115 110.888 -14.310 4.253 866 HA LYS 115 HA LYS 115 108.204 -14.516 5.416 867 HB2 LYS 115 HB2 LYS 115 108.729 -14.713 2.463 868 HB3 LYS 115 HB1 LYS 115 107.481 -15.721 3.189 869 HG2 LYS 115 HG2 LYS 115 106.501 -13.607 4.185 870 HG3 LYS 115 HG1 LYS 115 107.639 -12.694 3.191 871 HD2 LYS 115 HD2 LYS 115 106.706 -13.665 1.160 872 HD3 LYS 115 HD1 LYS 115 105.648 -14.710 2.101 873 HE2 LYS 115 HE2 LYS 115 105.553 -11.683 2.086 874 HE3 LYS 115 HE1 LYS 115 104.410 -12.741 1.278 875 HZ1 LYS 115 HZ1 LYS 115 103.299 -12.948 3.168 876 HZ2 LYS 115 HZ2 LYS 115 104.372 -11.870 3.927 877 HZ3 LYS 115 HZ3 LYS 115 104.677 -13.542 3.960 878 H ASP 116 HN ASP 116 107.510 -16.921 5.271 879 HA ASP 116 HA ASP 116 109.612 -18.580 6.239 880 HB2 ASP 116 HB2 ASP 116 106.885 -19.201 5.093 881 HB3 ASP 116 HB1 ASP 116 107.967 -20.474 5.661 882 H ASN 117 HN ASN 117 110.814 -20.246 5.195 883 HA ASN 117 HA ASN 117 112.180 -20.964 3.392 884 HB2 ASN 117 HB2 ASN 117 109.954 -22.208 3.158 885 HB3 ASN 117 HB1 ASN 117 109.553 -21.044 1.897 886 HD21 ASN 117 HD21 ASN 117 109.708 -22.474 0.083 887 HD22 ASN 117 HD22 ASN 117 111.159 -23.226 -0.377 888 H GLU 118 HN GLU 118 112.699 -18.398 3.402 889 HA GLU 118 HA GLU 118 112.760 -17.632 0.585 890 HB2 GLU 118 HB2 GLU 118 111.143 -16.095 2.615 891 HB3 GLU 118 HB1 GLU 118 111.814 -15.293 1.199 892 HG2 GLU 118 HG2 GLU 118 109.929 -17.665 1.160 893 HG3 GLU 118 HG1 GLU 118 109.503 -16.025 0.772 894 H LYS 119 HN LYS 119 114.583 -16.412 0.152 895 HA LYS 119 HA LYS 119 116.648 -16.151 2.058 896 HB2 LYS 119 HB2 LYS 119 116.157 -14.420 -0.395 897 HB3 LYS 119 HB1 LYS 119 117.695 -14.598 0.447 898 HG2 LYS 119 HG2 LYS 119 116.243 -17.005 -0.638 899 HG3 LYS 119 HG1 LYS 119 117.307 -16.047 -1.668 900 HD2 LYS 119 HD2 LYS 119 119.140 -16.364 -0.005 901 HD3 LYS 119 HD1 LYS 119 118.080 -17.418 0.925 902 HE2 LYS 119 HE2 LYS 119 118.786 -17.904 -1.975 903 HE3 LYS 119 HE1 LYS 119 119.635 -18.648 -0.621 904 HZ1 LYS 119 HZ1 LYS 119 116.949 -19.149 -1.633 905 HZ2 LYS 119 HZ2 LYS 119 117.153 -19.216 0.052 906 HZ3 LYS 119 HZ3 LYS 119 118.072 -20.226 -0.958 907 H LYS 120 HN LYS 120 117.017 -14.683 3.676 908 HA LYS 120 HA LYS 120 114.965 -12.675 4.229 909 HB2 LYS 120 HB2 LYS 120 116.411 -12.168 6.226 910 HB3 LYS 120 HB1 LYS 120 115.897 -13.850 6.109 911 HG2 LYS 120 HG2 LYS 120 118.240 -13.944 4.696 912 HG3 LYS 120 HG1 LYS 120 118.607 -12.673 5.852 913 HD2 LYS 120 HD2 LYS 120 119.230 -14.580 7.049 914 HD3 LYS 120 HD1 LYS 120 117.572 -14.353 7.595 915 HE2 LYS 120 HE2 LYS 120 116.771 -15.995 5.985 916 HE3 LYS 120 HE1 LYS 120 118.388 -16.152 5.293 917 HZ1 LYS 120 HZ1 LYS 120 119.146 -16.875 7.531 918 HZ2 LYS 120 HZ2 LYS 120 118.053 -17.946 6.795 919 HZ3 LYS 120 HZ3 LYS 120 117.526 -16.907 8.031 920 H LEU 121 HN LEU 121 115.135 -10.471 4.012 921 HA LEU 121 HA LEU 121 117.578 -9.454 2.609 922 HB2 LEU 121 HB2 LEU 121 114.762 -8.321 2.596 923 HB3 LEU 121 HB1 LEU 121 116.125 -7.726 1.651 924 HG LEU 121 HG LEU 121 114.935 -10.508 1.425 925 HD11 LEU 121 HD11 LEU 121 114.414 -9.485 -0.945 926 HD12 LEU 121 HD12 LEU 121 114.522 -7.946 -0.090 927 HD13 LEU 121 HD13 LEU 121 113.332 -9.151 0.407 928 HD21 LEU 121 HD21 LEU 121 117.158 -10.739 0.743 929 HD22 LEU 121 HD22 LEU 121 117.253 -9.083 0.146 930 HD23 LEU 121 HD23 LEU 121 116.371 -10.304 -0.773 931 H VAL 122 HN VAL 122 118.822 -8.065 3.816 932 HA VAL 122 HA VAL 122 117.534 -6.767 6.184 933 HB VAL 122 HB VAL 122 120.389 -7.594 5.636 934 HG11 VAL 122 HG11 VAL 122 120.775 -5.540 6.663 935 HG12 VAL 122 HG12 VAL 122 120.633 -6.600 8.065 936 HG13 VAL 122 HG13 VAL 122 119.266 -5.598 7.575 937 HG21 VAL 122 HG21 VAL 122 118.349 -9.006 6.746 938 HG22 VAL 122 HG22 VAL 122 118.965 -8.182 8.178 939 HG23 VAL 122 HG23 VAL 122 120.033 -9.199 7.225 940 H PHE 123 HN PHE 123 117.433 -4.594 6.264 941 HA PHE 123 HA PHE 123 118.893 -3.013 4.180 942 HB2 PHE 123 HB2 PHE 123 116.550 -2.681 3.877 943 HB3 PHE 123 HB1 PHE 123 116.260 -2.598 5.613 944 HD1 PHE 123 HD1 PHE 123 118.273 -0.862 2.966 945 HD2 PHE 123 HD2 PHE 123 115.997 -0.501 6.587 946 HE1 PHE 123 HE1 PHE 123 118.540 1.598 2.886 947 HE2 PHE 123 HE2 PHE 123 116.264 1.963 6.510 948 HZ PHE 123 HZ PHE 123 117.535 3.015 4.659 949 H THR 124 HN THR 124 120.574 -1.787 5.028 950 HA THR 124 HA THR 124 120.285 -0.851 7.855 951 HB THR 124 HB THR 124 121.664 -2.991 7.658 952 HG1 THR 124 HG1 THR 124 122.332 -2.170 9.452 953 HG21 THR 124 HG21 THR 124 123.877 -2.838 6.759 954 HG22 THR 124 HG22 THR 124 123.736 -1.095 6.542 955 HG23 THR 124 HG23 THR 124 122.798 -2.189 5.527 956 H VAL 125 HN VAL 125 121.225 1.079 8.357 957 HA VAL 125 HA VAL 125 122.871 2.446 6.289 958 HB VAL 125 HB VAL 125 121.570 4.431 6.340 959 HG11 VAL 125 HG11 VAL 125 119.599 3.727 5.345 960 HG12 VAL 125 HG12 VAL 125 119.319 2.464 6.545 961 HG13 VAL 125 HG13 VAL 125 120.528 2.230 5.286 962 HG21 VAL 125 HG21 VAL 125 119.576 4.593 7.920 963 HG22 VAL 125 HG22 VAL 125 121.161 4.682 8.688 964 HG23 VAL 125 HG23 VAL 125 120.235 3.184 8.754 965 H GLU 126 HN GLU 126 124.147 4.252 7.286 966 HA GLU 126 HA GLU 126 124.362 3.994 10.265 967 HB2 GLU 126 HB2 GLU 126 126.139 2.649 9.158 968 HB3 GLU 126 HB1 GLU 126 126.692 4.102 8.326 969 HG2 GLU 126 HG2 GLU 126 127.135 5.187 10.493 970 HG3 GLU 126 HG1 GLU 126 126.564 3.746 11.335 971 H ALA 127 HN ALA 127 125.098 5.881 11.341 972 HA ALA 127 HA ALA 127 125.761 8.281 9.785 973 HB1 ALA 127 HB1 ALA 127 123.253 8.248 11.490 974 HB2 ALA 127 HB2 ALA 127 123.259 8.204 9.726 975 HB3 ALA 127 HB3 ALA 127 123.885 9.617 10.575 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 115.436 16.145 -6.139 2 H2 GLU 1 HT2 GLU 1 115.109 16.221 -4.474 3 H3 GLU 1 HT3 GLU 1 114.456 14.966 -5.415 4 HA GLU 1 HA GLU 1 117.128 14.749 -5.871 5 HB2 GLU 1 HB2 GLU 1 117.514 16.357 -4.017 6 HB3 GLU 1 HB1 GLU 1 116.617 15.296 -2.931 7 HG2 GLU 1 HG2 GLU 1 118.239 13.493 -3.317 8 HG3 GLU 1 HG1 GLU 1 119.126 14.518 -4.445 9 H LYS 2 HN LYS 2 117.801 12.579 -5.275 10 HA LYS 2 HA LYS 2 115.539 10.769 -4.925 11 HB2 LYS 2 HB2 LYS 2 118.516 10.301 -5.214 12 HB3 LYS 2 HB1 LYS 2 117.341 8.994 -5.047 13 HG2 LYS 2 HG2 LYS 2 116.147 9.824 -7.053 14 HG3 LYS 2 HG1 LYS 2 117.346 11.104 -7.229 15 HD2 LYS 2 HD2 LYS 2 119.123 9.411 -7.492 16 HD3 LYS 2 HD1 LYS 2 117.925 8.129 -7.309 17 HE2 LYS 2 HE2 LYS 2 116.741 8.924 -9.314 18 HE3 LYS 2 HE1 LYS 2 117.915 10.229 -9.496 19 HZ1 LYS 2 HZ1 LYS 2 118.379 8.265 -10.899 20 HZ2 LYS 2 HZ2 LYS 2 118.615 7.343 -9.491 21 HZ3 LYS 2 HZ3 LYS 2 119.650 8.645 -9.841 22 H VAL 3 HN VAL 3 115.571 9.056 -3.219 23 HA VAL 3 HA VAL 3 116.466 10.231 -0.630 24 HB VAL 3 HB VAL 3 114.368 8.164 -1.330 25 HG11 VAL 3 HG11 VAL 3 113.870 8.247 1.156 26 HG12 VAL 3 HG12 VAL 3 115.419 9.063 1.363 27 HG13 VAL 3 HG13 VAL 3 115.369 7.423 0.727 28 HG21 VAL 3 HG21 VAL 3 113.465 10.307 -1.692 29 HG22 VAL 3 HG22 VAL 3 114.355 11.014 -0.344 30 HG23 VAL 3 HG23 VAL 3 112.984 9.950 -0.034 31 H LYS 4 HN LYS 4 117.957 9.166 0.637 32 HA LYS 4 HA LYS 4 119.450 6.971 -0.526 33 HB2 LYS 4 HB2 LYS 4 119.446 7.913 2.364 34 HB3 LYS 4 HB1 LYS 4 120.703 6.968 1.569 35 HG2 LYS 4 HG2 LYS 4 119.886 9.717 0.618 36 HG3 LYS 4 HG1 LYS 4 121.183 9.456 1.784 37 HD2 LYS 4 HD2 LYS 4 122.325 7.977 0.141 38 HD3 LYS 4 HD1 LYS 4 121.064 8.340 -1.033 39 HE2 LYS 4 HE2 LYS 4 121.618 10.730 -0.918 40 HE3 LYS 4 HE1 LYS 4 122.887 10.378 0.255 41 HZ1 LYS 4 HZ1 LYS 4 122.920 10.099 -2.586 42 HZ2 LYS 4 HZ2 LYS 4 123.372 8.658 -1.808 43 HZ3 LYS 4 HZ3 LYS 4 124.212 10.100 -1.488 44 H GLY 5 HN GLY 5 118.920 4.853 -0.468 45 HA2 GLY 5 HA2 GLY 5 117.932 3.478 1.795 46 HA3 GLY 5 HA1 GLY 5 116.542 3.930 0.815 47 H CYS 6 HN CYS 6 116.823 1.307 1.021 48 HA CYS 6 HA CYS 6 118.225 0.442 -1.486 49 HB2 CYS 6 HB2 CYS 6 118.883 -0.494 0.863 50 HB3 CYS 6 HB1 CYS 6 117.414 -1.450 0.703 51 H ASP 7 HN ASP 7 116.959 -0.409 -3.052 52 HA ASP 7 HA ASP 7 114.076 -0.895 -2.400 53 HB2 ASP 7 HB2 ASP 7 114.739 0.907 -4.110 54 HB3 ASP 7 HB1 ASP 7 115.209 -0.430 -5.158 55 H PHE 8 HN PHE 8 113.804 -3.063 -2.085 56 HA PHE 8 HA PHE 8 115.423 -4.997 -3.621 57 HB2 PHE 8 HB2 PHE 8 113.310 -5.343 -1.476 58 HB3 PHE 8 HB1 PHE 8 114.150 -6.685 -2.250 59 HD1 PHE 8 HD2 PHE 8 116.658 -6.859 -2.038 60 HD2 PHE 8 HD1 PHE 8 114.338 -4.053 0.239 61 HE1 PHE 8 HE2 PHE 8 118.549 -6.580 -0.457 62 HE2 PHE 8 HE1 PHE 8 116.227 -3.775 1.822 63 HZ PHE 8 HZ PHE 8 118.333 -5.038 1.473 64 H THR 9 HN THR 9 112.703 -3.233 -4.200 65 HA THR 9 HA THR 9 111.277 -5.409 -5.642 66 HB THR 9 HB THR 9 110.396 -2.538 -5.283 67 HG1 THR 9 HG1 THR 9 109.924 -3.016 -3.310 68 HG21 THR 9 HG21 THR 9 108.964 -5.128 -5.919 69 HG22 THR 9 HG22 THR 9 109.170 -3.741 -6.988 70 HG23 THR 9 HG23 THR 9 108.144 -3.609 -5.560 71 H THR 10 HN THR 10 113.362 -2.699 -6.246 72 HA THR 10 HA THR 10 113.217 -3.277 -9.126 73 HB THR 10 HB THR 10 112.625 -0.476 -8.139 74 HG1 THR 10 HG1 THR 10 110.895 -2.435 -9.240 75 HG21 THR 10 HG21 THR 10 113.592 -0.317 -10.280 76 HG22 THR 10 HG22 THR 10 111.860 -0.340 -10.613 77 HG23 THR 10 HG23 THR 10 112.821 -1.802 -10.837 78 H SER 11 HN SER 11 115.290 -3.208 -9.876 79 HA SER 11 HA SER 11 117.447 -2.229 -8.260 80 HB2 SER 11 HB2 SER 11 117.458 -3.971 -10.208 81 HB3 SER 11 HB1 SER 11 117.649 -2.564 -11.245 82 HG SER 11 HG SER 11 119.493 -2.016 -10.019 83 H GLU 12 HN GLU 12 115.396 -0.786 -10.676 84 HA GLU 12 HA GLU 12 117.037 1.718 -10.564 85 HB2 GLU 12 HB2 GLU 12 115.078 0.715 -12.654 86 HB3 GLU 12 HB1 GLU 12 115.811 2.319 -12.674 87 HG2 GLU 12 HG2 GLU 12 117.267 1.110 -14.047 88 HG3 GLU 12 HG1 GLU 12 118.067 0.994 -12.479 89 H SER 13 HN SER 13 115.857 1.980 -8.415 90 HA SER 13 HA SER 13 113.004 2.404 -8.413 91 HB2 SER 13 HB2 SER 13 115.016 3.540 -6.459 92 HB3 SER 13 HB1 SER 13 113.308 3.221 -6.171 93 HG SER 13 HG SER 13 114.027 0.956 -6.860 94 H THR 14 HN THR 14 111.886 4.411 -8.234 95 HA THR 14 HA THR 14 113.267 6.650 -9.638 96 HB THR 14 HB THR 14 111.239 6.176 -10.747 97 HG1 THR 14 HG1 THR 14 110.146 8.012 -10.450 98 HG21 THR 14 HG21 THR 14 110.154 4.607 -9.384 99 HG22 THR 14 HG22 THR 14 109.080 6.003 -9.282 100 HG23 THR 14 HG23 THR 14 110.208 5.660 -7.970 101 H ILE 15 HN ILE 15 112.717 5.622 -6.573 102 HA ILE 15 HA ILE 15 112.588 8.421 -5.524 103 HB ILE 15 HB ILE 15 111.469 7.381 -3.490 104 HG12 ILE 15 HG12 ILE 15 110.848 5.129 -5.411 105 HG13 ILE 15 HG11 ILE 15 112.164 5.026 -4.243 106 HG21 ILE 15 HG21 ILE 15 110.311 8.662 -5.356 107 HG22 ILE 15 HG22 ILE 15 109.283 7.532 -4.475 108 HG23 ILE 15 HG23 ILE 15 109.905 7.101 -6.069 109 HD11 ILE 15 HD11 ILE 15 109.856 4.089 -3.534 110 HD12 ILE 15 HD12 ILE 15 109.372 5.779 -3.383 111 HD13 ILE 15 HD13 ILE 15 110.691 5.149 -2.398 112 H PHE 16 HN PHE 16 114.134 5.301 -5.444 113 HA PHE 16 HA PHE 16 115.867 6.249 -3.194 114 HB2 PHE 16 HB2 PHE 16 115.132 3.472 -4.123 115 HB3 PHE 16 HB1 PHE 16 116.495 3.772 -3.046 116 HD1 PHE 16 HD2 PHE 16 115.986 5.268 -0.940 117 HD2 PHE 16 HD1 PHE 16 112.998 3.177 -3.209 118 HE1 PHE 16 HE2 PHE 16 114.434 5.379 0.994 119 HE2 PHE 16 HE1 PHE 16 111.446 3.303 -1.280 120 HZ PHE 16 HZ PHE 16 112.165 4.403 0.822 121 H SER 17 HN SER 17 118.047 6.363 -3.497 122 HA SER 17 HA SER 17 119.041 6.478 -6.216 123 HB2 SER 17 HB2 SER 17 120.308 6.784 -3.507 124 HB3 SER 17 HB1 SER 17 121.293 6.757 -4.966 125 HG SER 17 HG SER 17 119.196 8.539 -4.280 126 H LYS 18 HN LYS 18 118.832 3.913 -3.906 127 HA LYS 18 HA LYS 18 120.593 2.264 -5.687 128 HB2 LYS 18 HB2 LYS 18 120.521 2.196 -2.656 129 HB3 LYS 18 HB1 LYS 18 121.441 1.097 -3.682 130 HG2 LYS 18 HG2 LYS 18 121.783 4.104 -3.735 131 HG3 LYS 18 HG1 LYS 18 122.789 3.029 -2.765 132 HD2 LYS 18 HD2 LYS 18 123.177 1.753 -5.006 133 HD3 LYS 18 HD1 LYS 18 122.602 3.237 -5.765 134 HE2 LYS 18 HE2 LYS 18 124.883 3.086 -3.781 135 HE3 LYS 18 HE1 LYS 18 125.070 3.210 -5.531 136 HZ1 LYS 18 HZ1 LYS 18 124.338 5.234 -3.607 137 HZ2 LYS 18 HZ2 LYS 18 123.371 5.220 -5.004 138 HZ3 LYS 18 HZ3 LYS 18 125.055 5.396 -5.135 139 H GLY 19 HN GLY 19 119.910 0.172 -6.057 140 HA2 GLY 19 HA2 GLY 19 117.735 -1.009 -4.501 141 HA3 GLY 19 HA1 GLY 19 117.255 -0.519 -6.125 142 H TYR 20 HN TYR 20 117.079 -3.168 -5.591 143 HA TYR 20 HA TYR 20 119.460 -4.338 -6.992 144 HB2 TYR 20 HB2 TYR 20 117.755 -5.441 -4.759 145 HB3 TYR 20 HB1 TYR 20 118.699 -6.500 -5.807 146 HD1 TYR 20 HD1 TYR 20 119.045 -3.424 -3.692 147 HD2 TYR 20 HD2 TYR 20 120.944 -6.920 -5.310 148 HE1 TYR 20 HE1 TYR 20 121.076 -2.942 -2.353 149 HE2 TYR 20 HE2 TYR 20 122.975 -6.438 -3.971 150 HH TYR 20 HH TYR 20 123.037 -3.795 -1.619 151 H SER 21 HN SER 21 118.939 -6.177 -8.390 152 HA SER 21 HA SER 21 116.274 -5.832 -9.662 153 HB2 SER 21 HB2 SER 21 118.519 -5.834 -10.959 154 HB3 SER 21 HB1 SER 21 118.522 -7.572 -10.682 155 HG SER 21 HG SER 21 116.583 -6.005 -12.035 156 H ILE 22 HN ILE 22 114.908 -7.687 -10.053 157 HA ILE 22 HA ILE 22 114.681 -9.519 -7.922 158 HB ILE 22 HB ILE 22 113.179 -10.808 -9.416 159 HG12 ILE 22 HG12 ILE 22 114.051 -8.816 -11.532 160 HG13 ILE 22 HG11 ILE 22 114.573 -10.500 -11.478 161 HG21 ILE 22 HG21 ILE 22 112.424 -8.724 -8.262 162 HG22 ILE 22 HG22 ILE 22 111.568 -9.019 -9.775 163 HG23 ILE 22 HG23 ILE 22 112.849 -7.808 -9.710 164 HD11 ILE 22 HD11 ILE 22 111.737 -9.486 -11.794 165 HD12 ILE 22 HD12 ILE 22 112.152 -11.180 -11.530 166 HD13 ILE 22 HD13 ILE 22 112.694 -10.357 -12.993 167 H ASN 23 HN ASN 23 116.511 -9.748 -10.922 168 HA ASN 23 HA ASN 23 117.134 -12.542 -10.748 169 HB2 ASN 23 HB2 ASN 23 117.488 -11.264 -12.814 170 HB3 ASN 23 HB1 ASN 23 118.717 -10.287 -12.011 171 HD21 ASN 23 HD21 ASN 23 119.648 -11.607 -14.207 172 HD22 ASN 23 HD22 ASN 23 120.575 -12.961 -13.770 173 H GLU 24 HN GLU 24 118.689 -9.644 -9.432 174 HA GLU 24 HA GLU 24 121.039 -10.946 -8.448 175 HB2 GLU 24 HB2 GLU 24 119.607 -8.443 -7.512 176 HB3 GLU 24 HB1 GLU 24 121.188 -8.952 -6.919 177 HG2 GLU 24 HG2 GLU 24 122.108 -8.847 -9.184 178 HG3 GLU 24 HG1 GLU 24 120.522 -8.424 -9.830 179 H ILE 25 HN ILE 25 117.871 -10.311 -6.923 180 HA ILE 25 HA ILE 25 118.758 -11.658 -4.458 181 HB ILE 25 HB ILE 25 116.364 -11.272 -3.746 182 HG12 ILE 25 HG12 ILE 25 116.169 -9.583 -6.237 183 HG13 ILE 25 HG11 ILE 25 115.590 -11.251 -6.218 184 HG21 ILE 25 HG21 ILE 25 118.102 -9.658 -3.180 185 HG22 ILE 25 HG22 ILE 25 116.633 -8.789 -3.626 186 HG23 ILE 25 HG23 ILE 25 117.969 -8.910 -4.772 187 HD11 ILE 25 HD11 ILE 25 114.677 -9.010 -4.387 188 HD12 ILE 25 HD12 ILE 25 114.157 -10.691 -4.251 189 HD13 ILE 25 HD13 ILE 25 113.736 -9.749 -5.683 190 H SER 26 HN SER 26 117.368 -12.563 -7.448 191 HA SER 26 HA SER 26 116.083 -14.984 -6.345 192 HB2 SER 26 HB2 SER 26 115.011 -13.787 -8.228 193 HB3 SER 26 HB1 SER 26 116.437 -14.081 -9.216 194 HG SER 26 HG SER 26 116.019 -16.246 -9.163 195 H ASN 27 HN ASN 27 118.179 -14.718 -9.204 196 HA ASN 27 HA ASN 27 119.429 -16.862 -9.770 197 HB2 ASN 27 HB2 ASN 27 121.773 -16.003 -9.117 198 HB3 ASN 27 HB1 ASN 27 120.798 -14.966 -10.158 199 HD21 ASN 27 HD21 ASN 27 122.465 -13.352 -9.030 200 HD22 ASN 27 HD22 ASN 27 121.909 -12.617 -7.605 201 H LYS 28 HN LYS 28 118.720 -18.586 -8.413 202 HA LYS 28 HA LYS 28 119.546 -18.731 -5.617 203 HB2 LYS 28 HB2 LYS 28 118.303 -20.760 -7.491 204 HB3 LYS 28 HB1 LYS 28 118.631 -21.074 -5.787 205 HG2 LYS 28 HG2 LYS 28 117.196 -19.167 -5.153 206 HG3 LYS 28 HG1 LYS 28 116.865 -18.852 -6.858 207 HD2 LYS 28 HD2 LYS 28 115.815 -21.043 -7.099 208 HD3 LYS 28 HD1 LYS 28 116.220 -21.450 -5.431 209 HE2 LYS 28 HE2 LYS 28 113.892 -20.721 -5.537 210 HE3 LYS 28 HE1 LYS 28 114.840 -19.515 -4.666 211 HZ1 LYS 28 HZ1 LYS 28 113.667 -19.377 -7.349 212 HZ2 LYS 28 HZ2 LYS 28 115.100 -18.516 -7.047 213 HZ3 LYS 28 HZ3 LYS 28 113.706 -18.201 -6.127 214 H SER 29 HN SER 29 121.573 -18.565 -7.902 215 HA SER 29 HA SER 29 122.990 -21.139 -7.629 216 HB2 SER 29 HB2 SER 29 122.974 -20.079 -9.833 217 HB3 SER 29 HB1 SER 29 123.679 -18.614 -9.157 218 HG SER 29 HG SER 29 125.568 -19.540 -9.185 219 H SER 30 HN SER 30 124.189 -17.790 -7.428 220 HA SER 30 HA SER 30 126.461 -18.184 -5.925 221 HB2 SER 30 HB2 SER 30 124.415 -15.970 -5.751 222 HB3 SER 30 HB1 SER 30 125.901 -15.931 -4.805 223 HG SER 30 HG SER 30 126.874 -15.308 -6.548 224 H ASN 31 HN ASN 31 126.969 -18.601 -3.771 225 HA ASN 31 HA ASN 31 124.681 -19.464 -2.060 226 HB2 ASN 31 HB2 ASN 31 127.633 -20.146 -2.002 227 HB3 ASN 31 HB1 ASN 31 126.497 -20.639 -0.747 228 HD21 ASN 31 HD21 ASN 31 127.843 -22.590 -2.343 229 HD22 ASN 31 HD22 ASN 31 126.699 -23.360 -3.333 230 H ASN 32 HN ASN 32 125.181 -16.677 -2.254 231 HA ASN 32 HA ASN 32 126.028 -16.137 0.551 232 HB2 ASN 32 HB2 ASN 32 127.872 -15.607 -1.146 233 HB3 ASN 32 HB1 ASN 32 126.812 -14.332 -1.745 234 HD21 ASN 32 HD21 ASN 32 128.069 -12.542 -0.960 235 HD22 ASN 32 HD22 ASN 32 128.296 -12.240 0.694 236 H GLN 33 HN GLN 33 124.032 -15.419 -2.200 237 HA GLN 33 HA GLN 33 122.933 -12.945 -1.422 238 HB2 GLN 33 HB2 GLN 33 120.862 -13.755 -2.676 239 HB3 GLN 33 HB1 GLN 33 122.373 -13.783 -3.585 240 HG2 GLN 33 HG2 GLN 33 122.627 -16.204 -2.892 241 HG3 GLN 33 HG1 GLN 33 120.991 -16.117 -2.242 242 HE21 GLN 33 HE21 GLN 33 122.128 -14.475 -5.207 243 HE22 GLN 33 HE22 GLN 33 121.124 -15.343 -6.264 244 H GLN 34 HN GLN 34 122.270 -16.202 -0.261 245 HA GLN 34 HA GLN 34 119.943 -16.262 1.020 246 HB2 GLN 34 HB2 GLN 34 120.989 -17.290 2.995 247 HB3 GLN 34 HB1 GLN 34 121.773 -17.855 1.519 248 HG2 GLN 34 HG2 GLN 34 123.526 -16.087 1.843 249 HG3 GLN 34 HG1 GLN 34 122.782 -15.694 3.394 250 HE21 GLN 34 HE21 GLN 34 124.410 -16.486 4.813 251 HE22 GLN 34 HE22 GLN 34 124.896 -18.112 4.858 252 H ASP 35 HN ASP 35 122.559 -14.060 1.956 253 HA ASP 35 HA ASP 35 120.565 -12.557 3.607 254 HB2 ASP 35 HB2 ASP 35 123.524 -12.952 4.120 255 HB3 ASP 35 HB1 ASP 35 122.476 -11.883 5.053 256 H ILE 36 HN ILE 36 120.053 -10.790 2.353 257 HA ILE 36 HA ILE 36 122.295 -9.467 0.885 258 HB ILE 36 HB ILE 36 119.350 -8.774 0.766 259 HG12 ILE 36 HG12 ILE 36 119.554 -11.138 0.188 260 HG13 ILE 36 HG11 ILE 36 119.294 -10.205 -1.287 261 HG21 ILE 36 HG21 ILE 36 120.780 -7.081 -0.176 262 HG22 ILE 36 HG22 ILE 36 120.076 -7.975 -1.524 263 HG23 ILE 36 HG23 ILE 36 121.740 -8.290 -1.029 264 HD11 ILE 36 HD11 ILE 36 121.069 -11.708 -1.780 265 HD12 ILE 36 HD12 ILE 36 121.885 -11.360 -0.260 266 HD13 ILE 36 HD13 ILE 36 121.839 -10.145 -1.534 267 H VAL 37 HN VAL 37 123.197 -7.664 1.767 268 HA VAL 37 HA VAL 37 121.604 -6.194 3.845 269 HB VAL 37 HB VAL 37 124.569 -6.778 3.727 270 HG11 VAL 37 HG11 VAL 37 124.587 -4.583 4.505 271 HG12 VAL 37 HG12 VAL 37 124.374 -5.468 6.015 272 HG13 VAL 37 HG13 VAL 37 122.985 -4.718 5.230 273 HG21 VAL 37 HG21 VAL 37 124.214 -8.107 5.607 274 HG22 VAL 37 HG22 VAL 37 122.714 -8.383 4.724 275 HG23 VAL 37 HG23 VAL 37 122.749 -7.243 6.070 276 H CYS 38 HN CYS 38 121.223 -4.105 3.358 277 HA CYS 38 HA CYS 38 122.818 -2.866 1.157 278 HB2 CYS 38 HB2 CYS 38 120.166 -2.049 2.391 279 HB3 CYS 38 HB1 CYS 38 120.984 -1.203 1.077 280 H THR 39 HN THR 39 124.618 -1.976 2.186 281 HA THR 39 HA THR 39 124.163 -0.436 4.685 282 HB THR 39 HB THR 39 126.722 -1.277 3.289 283 HG1 THR 39 HG1 THR 39 125.201 -2.772 4.538 284 HG21 THR 39 HG21 THR 39 127.789 -0.518 5.422 285 HG22 THR 39 HG22 THR 39 126.235 0.157 5.914 286 HG23 THR 39 HG23 THR 39 127.069 0.802 4.500 287 H VAL 40 HN VAL 40 123.906 1.713 4.544 288 HA VAL 40 HA VAL 40 125.356 3.198 2.402 289 HB VAL 40 HB VAL 40 123.279 4.546 1.965 290 HG11 VAL 40 HG11 VAL 40 122.682 1.645 1.422 291 HG12 VAL 40 HG12 VAL 40 124.073 2.422 0.666 292 HG13 VAL 40 HG13 VAL 40 122.448 3.040 0.368 293 HG21 VAL 40 HG21 VAL 40 122.223 3.796 4.183 294 HG22 VAL 40 HG22 VAL 40 121.827 2.288 3.360 295 HG23 VAL 40 HG23 VAL 40 121.157 3.811 2.778 296 H LYS 41 HN LYS 41 125.644 5.477 2.949 297 HA LYS 41 HA LYS 41 125.576 5.901 5.890 298 HB2 LYS 41 HB2 LYS 41 126.965 7.405 3.659 299 HB3 LYS 41 HB1 LYS 41 127.048 7.860 5.360 300 HG2 LYS 41 HG2 LYS 41 127.958 5.595 5.882 301 HG3 LYS 41 HG1 LYS 41 127.973 5.238 4.156 302 HD2 LYS 41 HD2 LYS 41 129.399 7.628 5.337 303 HD3 LYS 41 HD1 LYS 41 130.183 6.063 5.125 304 HE2 LYS 41 HE2 LYS 41 129.415 6.199 2.674 305 HE3 LYS 41 HE1 LYS 41 129.072 7.897 2.996 306 HZ1 LYS 41 HZ1 LYS 41 131.433 7.026 2.184 307 HZ2 LYS 41 HZ2 LYS 41 131.667 6.925 3.864 308 HZ3 LYS 41 HZ3 LYS 41 131.241 8.407 3.150 309 H ALA 42 HN ALA 42 124.185 7.344 6.811 310 HA ALA 42 HA ALA 42 122.403 8.875 4.970 311 HB1 ALA 42 HB1 ALA 42 120.976 9.097 7.036 312 HB2 ALA 42 HB2 ALA 42 122.105 8.032 7.865 313 HB3 ALA 42 HB3 ALA 42 121.187 7.442 6.478 314 H HIS 43 HN HIS 43 121.822 11.101 5.644 315 HA HIS 43 HA HIS 43 123.926 12.413 7.317 316 HB2 HIS 43 HB2 HIS 43 124.210 12.613 4.729 317 HB3 HIS 43 HB1 HIS 43 122.849 13.730 4.833 318 HD1 HIS 43 HD1 HIS 43 126.094 13.227 6.798 319 HD2 HIS 43 HD2 HIS 43 123.758 16.295 5.207 320 HE1 HIS 43 HE1 HIS 43 127.289 15.395 7.339 321 HE2 HIS 43 HE2 HIS 43 125.877 17.268 6.375 322 H ALA 44 HN ALA 44 123.222 14.384 8.317 323 HA ALA 44 HA ALA 44 120.614 14.375 9.378 324 HB1 ALA 44 HB1 ALA 44 121.231 16.310 10.473 325 HB2 ALA 44 HB2 ALA 44 121.942 17.028 9.028 326 HB3 ALA 44 HB3 ALA 44 122.826 15.798 9.929 327 H ASN 45 HN ASN 45 121.750 15.632 6.332 328 HA ASN 45 HA ASN 45 119.138 16.996 5.884 329 HB2 ASN 45 HB2 ASN 45 121.773 17.078 4.391 330 HB3 ASN 45 HB1 ASN 45 120.301 17.847 3.798 331 HD21 ASN 45 HD21 ASN 45 122.642 19.374 4.496 332 HD22 ASN 45 HD22 ASN 45 122.264 20.325 5.850 333 H ASP 46 HN ASP 46 121.043 14.247 4.898 334 HA ASP 46 HA ASP 46 119.602 13.689 2.456 335 HB2 ASP 46 HB2 ASP 46 121.417 12.095 4.253 336 HB3 ASP 46 HB1 ASP 46 120.585 11.327 2.910 337 H LEU 47 HN LEU 47 117.660 12.658 2.203 338 HA LEU 47 HA LEU 47 116.098 11.972 4.573 339 HB2 LEU 47 HB2 LEU 47 115.385 11.306 1.705 340 HB3 LEU 47 HB1 LEU 47 114.292 11.586 3.058 341 HG LEU 47 HG LEU 47 116.151 13.755 2.081 342 HD11 LEU 47 HD11 LEU 47 113.964 14.561 0.917 343 HD12 LEU 47 HD12 LEU 47 113.505 12.859 0.976 344 HD13 LEU 47 HD13 LEU 47 114.960 13.350 0.110 345 HD21 LEU 47 HD21 LEU 47 114.698 13.669 4.328 346 HD22 LEU 47 HD22 LEU 47 113.425 14.186 3.231 347 HD23 LEU 47 HD23 LEU 47 114.883 15.156 3.410 348 H ILE 48 HN ILE 48 115.484 9.849 5.216 349 HA ILE 48 HA ILE 48 117.035 7.653 3.864 350 HB ILE 48 HB ILE 48 117.233 6.604 6.100 351 HG12 ILE 48 HG12 ILE 48 116.121 9.222 7.154 352 HG13 ILE 48 HG11 ILE 48 115.175 7.741 7.035 353 HG21 ILE 48 HG21 ILE 48 118.861 8.224 7.036 354 HG22 ILE 48 HG22 ILE 48 118.243 9.460 5.942 355 HG23 ILE 48 HG23 ILE 48 119.054 8.034 5.294 356 HD11 ILE 48 HD11 ILE 48 117.822 7.673 8.444 357 HD12 ILE 48 HD12 ILE 48 116.402 6.657 8.689 358 HD13 ILE 48 HD13 ILE 48 116.411 8.317 9.284 359 H GLY 49 HN GLY 49 115.985 5.685 3.602 360 HA2 GLY 49 HA2 GLY 49 113.561 4.888 4.853 361 HA3 GLY 49 HA1 GLY 49 113.135 5.716 3.353 362 H PHE 50 HN PHE 50 112.334 3.312 3.037 363 HA PHE 50 HA PHE 50 114.113 2.100 1.114 364 HB2 PHE 50 HB2 PHE 50 114.622 0.027 2.233 365 HB3 PHE 50 HB1 PHE 50 115.152 1.344 3.278 366 HD1 PHE 50 HD1 PHE 50 112.652 -1.311 2.787 367 HD2 PHE 50 HD2 PHE 50 113.962 1.884 5.342 368 HE1 PHE 50 HE1 PHE 50 111.191 -2.163 4.600 369 HE2 PHE 50 HE2 PHE 50 112.500 1.032 7.155 370 HZ PHE 50 HZ PHE 50 111.118 -0.996 6.786 371 H LYS 51 HN LYS 51 113.135 -0.065 0.338 372 HA LYS 51 HA LYS 51 110.243 -0.309 0.932 373 HB2 LYS 51 HB2 LYS 51 110.348 1.342 -0.887 374 HB3 LYS 51 HB1 LYS 51 111.315 0.225 -1.851 375 HG2 LYS 51 HG2 LYS 51 109.463 -1.399 -1.845 376 HG3 LYS 51 HG1 LYS 51 108.496 -0.297 -0.864 377 HD2 LYS 51 HD2 LYS 51 108.610 1.398 -2.659 378 HD3 LYS 51 HD1 LYS 51 109.561 0.287 -3.643 379 HE2 LYS 51 HE2 LYS 51 107.358 -0.022 -4.431 380 HE3 LYS 51 HE1 LYS 51 107.593 -1.366 -3.314 381 HZ1 LYS 51 HZ1 LYS 51 106.302 -0.365 -1.703 382 HZ2 LYS 51 HZ2 LYS 51 105.475 0.054 -3.127 383 HZ3 LYS 51 HZ3 LYS 51 106.480 1.189 -2.359 384 H CYS 52 HN CYS 52 109.428 -2.383 0.473 385 HA CYS 52 HA CYS 52 111.397 -4.356 -0.593 386 HB2 CYS 52 HB2 CYS 52 109.417 -4.677 1.689 387 HB3 CYS 52 HB1 CYS 52 110.364 -5.996 1.011 388 HA PRO 53 HA PRO 53 108.347 -5.471 -3.603 389 HB2 PRO 53 HB2 PRO 53 108.403 -8.288 -3.271 390 HB3 PRO 53 HB1 PRO 53 109.401 -7.335 -4.384 391 HG2 PRO 53 HG2 PRO 53 110.063 -8.416 -1.709 392 HG3 PRO 53 HG1 PRO 53 111.103 -8.178 -3.122 393 HD2 PRO 53 HD2 PRO 53 111.237 -6.551 -0.990 394 HD3 PRO 53 HD1 PRO 53 111.458 -5.927 -2.639 395 H SER 54 HN SER 54 106.141 -6.065 -3.740 396 HA SER 54 HA SER 54 104.663 -5.994 -1.267 397 HB2 SER 54 HB2 SER 54 103.569 -6.823 -3.956 398 HB3 SER 54 HB1 SER 54 102.705 -6.058 -2.626 399 HG SER 54 HG SER 54 104.832 -4.576 -3.300 400 H ASN 55 HN ASN 55 106.153 -8.585 -2.911 401 HA ASN 55 HA ASN 55 104.202 -10.587 -1.945 402 HB2 ASN 55 HB2 ASN 55 106.813 -10.867 -3.465 403 HB3 ASN 55 HB1 ASN 55 105.755 -12.213 -3.041 404 HD21 ASN 55 HD21 ASN 55 106.495 -10.434 -5.654 405 HD22 ASN 55 HD22 ASN 55 104.982 -10.341 -6.418 406 H TYR 56 HN TYR 56 106.725 -8.909 -0.596 407 HA TYR 56 HA TYR 56 107.531 -11.196 1.151 408 HB2 TYR 56 HB2 TYR 56 108.923 -8.673 0.325 409 HB3 TYR 56 HB1 TYR 56 109.395 -9.506 1.807 410 HD1 TYR 56 HD1 TYR 56 108.651 -10.252 -1.801 411 HD2 TYR 56 HD2 TYR 56 110.984 -11.202 1.675 412 HE1 TYR 56 HE1 TYR 56 109.968 -11.878 -3.130 413 HE2 TYR 56 HE2 TYR 56 112.301 -12.831 0.349 414 HH TYR 56 HH TYR 56 112.881 -13.153 -2.112 415 H SER 57 HN SER 57 107.906 -10.619 3.487 416 HA SER 57 HA SER 57 105.773 -8.715 4.381 417 HB2 SER 57 HB2 SER 57 105.458 -11.001 5.182 418 HB3 SER 57 HB1 SER 57 107.103 -11.040 5.803 419 HG SER 57 HG SER 57 105.641 -10.539 7.454 420 H VAL 58 HN VAL 58 106.377 -6.921 5.566 421 HA VAL 58 HA VAL 58 109.274 -6.491 5.917 422 HB VAL 58 HB VAL 58 108.759 -4.192 6.225 423 HG11 VAL 58 HG11 VAL 58 107.264 -3.688 4.317 424 HG12 VAL 58 HG12 VAL 58 106.723 -5.367 4.308 425 HG13 VAL 58 HG13 VAL 58 108.400 -4.979 3.923 426 HG21 VAL 58 HG21 VAL 58 106.037 -5.244 6.966 427 HG22 VAL 58 HG22 VAL 58 106.216 -3.584 6.399 428 HG23 VAL 58 HG23 VAL 58 107.069 -4.117 7.848 429 H GLU 59 HN GLU 59 110.238 -7.019 7.766 430 HA GLU 59 HA GLU 59 108.684 -6.846 10.312 431 HB2 GLU 59 HB2 GLU 59 110.651 -8.909 9.348 432 HB3 GLU 59 HB1 GLU 59 110.424 -8.635 11.075 433 HG2 GLU 59 HG2 GLU 59 108.241 -9.416 11.057 434 HG3 GLU 59 HG1 GLU 59 107.996 -9.009 9.357 435 HA PRO 60 HA PRO 60 112.092 -3.987 11.033 436 HB2 PRO 60 HB2 PRO 60 111.374 -3.115 13.498 437 HB3 PRO 60 HB1 PRO 60 110.494 -2.630 12.033 438 HG2 PRO 60 HG2 PRO 60 109.793 -4.688 14.069 439 HG3 PRO 60 HG1 PRO 60 108.750 -3.518 13.243 440 HD2 PRO 60 HD2 PRO 60 108.960 -6.167 12.505 441 HD3 PRO 60 HD1 PRO 60 108.487 -4.860 11.395 442 H HIS 61 HN HIS 61 114.062 -4.927 11.459 443 HA HIS 61 HA HIS 61 114.335 -6.714 13.812 444 HB2 HIS 61 HB2 HIS 61 115.308 -7.207 11.459 445 HB3 HIS 61 HB1 HIS 61 116.541 -6.020 11.880 446 HD1 HIS 61 HD1 HIS 61 115.851 -7.293 15.026 447 HD2 HIS 61 HD2 HIS 61 117.767 -8.970 11.721 448 HE1 HIS 61 HE1 HIS 61 117.275 -9.194 15.910 449 HE2 HIS 61 HE2 HIS 61 118.444 -10.222 13.907 450 H ASP 62 HN ASP 62 115.072 -3.541 12.685 451 HA ASP 62 HA ASP 62 115.831 -2.624 15.311 452 HB2 ASP 62 HB2 ASP 62 117.952 -3.764 14.618 453 HB3 ASP 62 HB1 ASP 62 118.042 -2.676 13.232 454 H CYS 63 HN CYS 63 113.888 -1.887 13.438 455 HA CYS 63 HA CYS 63 114.688 0.302 11.759 456 HB2 CYS 63 HB2 CYS 63 111.995 -0.420 12.943 457 HB3 CYS 63 HB1 CYS 63 112.237 0.828 11.722 458 H PHE 64 HN PHE 64 112.671 2.264 12.657 459 HA PHE 64 HA PHE 64 114.224 3.360 14.961 460 HB2 PHE 64 HB2 PHE 64 113.218 5.576 14.132 461 HB3 PHE 64 HB1 PHE 64 114.503 4.847 13.172 462 HD1 PHE 64 HD2 PHE 64 113.874 3.414 11.167 463 HD2 PHE 64 HD1 PHE 64 111.067 5.943 13.210 464 HE1 PHE 64 HE2 PHE 64 112.369 3.334 9.198 465 HE2 PHE 64 HE1 PHE 64 109.566 5.863 11.239 466 HZ PHE 64 HZ PHE 64 110.214 4.560 9.235 467 H VAL 65 HN VAL 65 110.854 3.590 13.681 468 HA VAL 65 HA VAL 65 109.657 4.647 15.973 469 HB VAL 65 HB VAL 65 108.618 2.569 14.033 470 HG11 VAL 65 HG11 VAL 65 107.327 3.746 16.491 471 HG12 VAL 65 HG12 VAL 65 107.336 2.069 15.949 472 HG13 VAL 65 HG13 VAL 65 106.348 3.263 15.107 473 HG21 VAL 65 HG21 VAL 65 107.953 5.490 14.530 474 HG22 VAL 65 HG22 VAL 65 107.228 4.472 13.286 475 HG23 VAL 65 HG23 VAL 65 108.942 4.876 13.205 476 H SER 66 HN SER 66 109.515 1.139 15.335 477 HA SER 66 HA SER 66 110.343 0.632 18.142 478 HB2 SER 66 HB2 SER 66 107.855 0.664 18.129 479 HB3 SER 66 HB1 SER 66 107.858 -0.560 16.863 480 HG SER 66 HG SER 66 109.155 -0.885 19.364 481 H ALA 67 HN ALA 67 111.780 -1.083 18.193 482 HA ALA 67 HA ALA 67 111.588 -3.309 16.343 483 HB1 ALA 67 HB1 ALA 67 113.417 -2.855 14.896 484 HB2 ALA 67 HB2 ALA 67 113.951 -1.490 15.881 485 HB3 ALA 67 HB3 ALA 67 112.476 -1.365 14.929 486 H PHE 68 HN PHE 68 113.763 -4.588 16.434 487 HA PHE 68 HA PHE 68 114.537 -4.731 19.286 488 HB2 PHE 68 HB2 PHE 68 115.483 -6.609 17.119 489 HB3 PHE 68 HB1 PHE 68 115.286 -6.930 18.841 490 HD1 PHE 68 HD1 PHE 68 113.344 -6.064 15.761 491 HD2 PHE 68 HD2 PHE 68 113.285 -7.882 19.654 492 HE1 PHE 68 HE1 PHE 68 111.051 -6.901 15.335 493 HE2 PHE 68 HE2 PHE 68 110.988 -8.716 19.225 494 HZ PHE 68 HZ PHE 68 109.873 -8.223 17.058 495 H ASN 69 HN ASN 69 116.662 -4.333 19.985 496 HA ASN 69 HA ASN 69 118.351 -2.811 18.134 497 HB2 ASN 69 HB2 ASN 69 118.617 -3.575 21.048 498 HB3 ASN 69 HB1 ASN 69 119.881 -2.706 20.178 499 HD21 ASN 69 HD21 ASN 69 118.451 -1.516 22.377 500 HD22 ASN 69 HD22 ASN 69 117.528 -0.228 21.766 501 H LEU 70 HN LEU 70 120.911 -3.474 18.777 502 HA LEU 70 HA LEU 70 121.364 -5.846 17.216 503 HB2 LEU 70 HB2 LEU 70 123.133 -4.076 18.907 504 HB3 LEU 70 HB1 LEU 70 123.766 -5.549 18.172 505 HG LEU 70 HG LEU 70 122.905 -4.718 15.951 506 HD11 LEU 70 HD11 LEU 70 122.562 -2.153 15.955 507 HD12 LEU 70 HD12 LEU 70 122.281 -2.329 17.687 508 HD13 LEU 70 HD13 LEU 70 121.229 -3.152 16.534 509 HD21 LEU 70 HD21 LEU 70 124.790 -3.310 15.561 510 HD22 LEU 70 HD22 LEU 70 125.285 -4.390 16.864 511 HD23 LEU 70 HD23 LEU 70 124.799 -2.734 17.228 512 H SER 71 HN SER 71 120.604 -5.367 20.511 513 HA SER 71 HA SER 71 121.863 -7.870 21.428 514 HB2 SER 71 HB2 SER 71 119.981 -5.943 22.824 515 HB3 SER 71 HB1 SER 71 120.765 -7.321 23.590 516 HG SER 71 HG SER 71 121.728 -4.864 23.117 517 H GLY 72 HN GLY 72 119.083 -6.976 19.776 518 HA2 GLY 72 HA2 GLY 72 117.332 -8.372 19.021 519 HA3 GLY 72 HA1 GLY 72 117.933 -9.645 20.084 520 H LYS 73 HN LYS 73 117.449 -6.515 21.473 521 HA LYS 73 HA LYS 73 115.060 -7.583 22.924 522 HB2 LYS 73 HB2 LYS 73 116.901 -5.293 23.699 523 HB3 LYS 73 HB1 LYS 73 115.638 -6.013 24.698 524 HG2 LYS 73 HG2 LYS 73 117.915 -7.668 23.610 525 HG3 LYS 73 HG1 LYS 73 118.058 -6.792 25.134 526 HD2 LYS 73 HD2 LYS 73 115.998 -7.959 25.943 527 HD3 LYS 73 HD1 LYS 73 115.992 -8.906 24.457 528 HE2 LYS 73 HE2 LYS 73 117.081 -10.174 26.240 529 HE3 LYS 73 HE1 LYS 73 118.257 -9.752 24.995 530 HZ1 LYS 73 HZ1 LYS 73 118.647 -9.303 27.580 531 HZ2 LYS 73 HZ2 LYS 73 117.919 -7.829 27.149 532 HZ3 LYS 73 HZ3 LYS 73 119.334 -8.343 26.361 533 H ASN 74 HN ASN 74 113.135 -6.446 22.834 534 HA ASN 74 HA ASN 74 112.734 -4.579 20.687 535 HB2 ASN 74 HB2 ASN 74 110.952 -6.052 21.648 536 HB3 ASN 74 HB1 ASN 74 110.946 -5.035 23.090 537 HD21 ASN 74 HD21 ASN 74 108.618 -5.268 21.427 538 HD22 ASN 74 HD22 ASN 74 108.343 -3.767 20.685 539 H GLU 75 HN GLU 75 113.178 -2.440 20.652 540 HA GLU 75 HA GLU 75 113.029 -0.873 23.166 541 HB2 GLU 75 HB2 GLU 75 115.449 -1.035 21.351 542 HB3 GLU 75 HB1 GLU 75 115.223 0.233 22.556 543 HG2 GLU 75 HG2 GLU 75 115.213 -2.735 23.188 544 HG3 GLU 75 HG1 GLU 75 116.615 -1.686 23.384 545 H ASN 76 HN ASN 76 113.133 1.522 22.671 546 HA ASN 76 HA ASN 76 111.810 2.048 20.037 547 HB2 ASN 76 HB2 ASN 76 111.631 3.402 22.726 548 HB3 ASN 76 HB1 ASN 76 111.114 4.222 21.253 549 HD21 ASN 76 HD21 ASN 76 108.923 3.939 20.836 550 HD22 ASN 76 HD22 ASN 76 108.013 2.571 21.265 551 H LEU 77 HN LEU 77 112.734 3.537 18.635 552 HA LEU 77 HA LEU 77 115.436 4.516 19.372 553 HB2 LEU 77 HB2 LEU 77 114.798 3.279 17.164 554 HB3 LEU 77 HB1 LEU 77 114.144 4.839 16.674 555 HG LEU 77 HG LEU 77 116.463 5.782 17.408 556 HD11 LEU 77 HD11 LEU 77 117.421 3.886 18.502 557 HD12 LEU 77 HD12 LEU 77 118.265 4.015 16.959 558 HD13 LEU 77 HD13 LEU 77 116.999 2.811 17.170 559 HD21 LEU 77 HD21 LEU 77 115.555 5.540 15.050 560 HD22 LEU 77 HD22 LEU 77 116.396 3.991 14.966 561 HD23 LEU 77 HD23 LEU 77 117.308 5.481 15.184 562 H GLU 78 HN GLU 78 112.233 5.681 19.240 563 HA GLU 78 HA GLU 78 112.642 8.335 18.297 564 HB2 GLU 78 HB2 GLU 78 110.536 8.857 19.285 565 HB3 GLU 78 HB1 GLU 78 110.418 7.167 18.799 566 HG2 GLU 78 HG2 GLU 78 109.581 7.110 20.983 567 HG3 GLU 78 HG1 GLU 78 111.272 6.682 21.225 568 H ASN 79 HN ASN 79 112.915 6.976 21.590 569 HA ASN 79 HA ASN 79 113.536 9.466 22.867 570 HB2 ASN 79 HB2 ASN 79 114.478 8.041 24.675 571 HB3 ASN 79 HB1 ASN 79 112.895 7.466 24.154 572 HD21 ASN 79 HD21 ASN 79 113.808 5.340 25.130 573 HD22 ASN 79 HD22 ASN 79 114.721 4.349 24.098 574 H LYS 80 HN LYS 80 115.344 7.371 20.809 575 HA LYS 80 HA LYS 80 117.953 8.472 21.650 576 HB2 LYS 80 HB2 LYS 80 117.845 6.103 21.022 577 HB3 LYS 80 HB1 LYS 80 117.212 6.538 19.436 578 HG2 LYS 80 HG2 LYS 80 119.260 7.645 18.822 579 HG3 LYS 80 HG1 LYS 80 119.891 7.504 20.471 580 HD2 LYS 80 HD2 LYS 80 119.875 5.037 20.252 581 HD3 LYS 80 HD1 LYS 80 119.276 5.198 18.604 582 HE2 LYS 80 HE2 LYS 80 121.293 6.394 17.940 583 HE3 LYS 80 HE1 LYS 80 121.885 6.369 19.600 584 HZ1 LYS 80 HZ1 LYS 80 121.314 3.952 17.971 585 HZ2 LYS 80 HZ2 LYS 80 121.996 3.986 19.527 586 HZ3 LYS 80 HZ3 LYS 80 122.858 4.615 18.206 587 H LEU 81 HN LEU 81 115.800 8.549 18.826 588 HA LEU 81 HA LEU 81 117.156 11.069 17.976 589 HB2 LEU 81 HB2 LEU 81 117.906 9.128 16.575 590 HB3 LEU 81 HB1 LEU 81 116.226 8.864 16.110 591 HG LEU 81 HG LEU 81 116.140 11.168 15.187 592 HD11 LEU 81 HD11 LEU 81 117.697 12.495 16.263 593 HD12 LEU 81 HD12 LEU 81 118.632 12.080 14.829 594 HD13 LEU 81 HD13 LEU 81 118.901 11.211 16.340 595 HD21 LEU 81 HD21 LEU 81 117.192 10.600 13.180 596 HD22 LEU 81 HD22 LEU 81 117.006 9.021 13.938 597 HD23 LEU 81 HD23 LEU 81 118.564 9.848 13.992 598 H LYS 82 HN LYS 82 115.646 12.675 17.855 599 HA LYS 82 HA LYS 82 112.800 12.014 17.972 600 HB2 LYS 82 HB2 LYS 82 114.116 14.066 18.995 601 HB3 LYS 82 HB1 LYS 82 113.796 14.790 17.422 602 HG2 LYS 82 HG2 LYS 82 111.400 14.428 17.688 603 HG3 LYS 82 HG1 LYS 82 111.668 13.569 19.202 604 HD2 LYS 82 HD2 LYS 82 112.627 16.404 18.823 605 HD3 LYS 82 HD1 LYS 82 110.979 16.061 19.348 606 HE2 LYS 82 HE2 LYS 82 112.017 14.611 21.184 607 HE3 LYS 82 HE1 LYS 82 113.561 15.338 20.751 608 HZ1 LYS 82 HZ1 LYS 82 112.934 16.864 22.244 609 HZ2 LYS 82 HZ2 LYS 82 111.282 16.498 22.106 610 HZ3 LYS 82 HZ3 LYS 82 112.032 17.498 20.956 611 H LEU 83 HN LEU 83 112.564 10.891 15.931 612 HA LEU 83 HA LEU 83 113.187 12.200 13.419 613 HB2 LEU 83 HB2 LEU 83 111.445 9.815 14.090 614 HB3 LEU 83 HB1 LEU 83 111.787 10.342 12.444 615 HG LEU 83 HG LEU 83 113.942 9.659 14.464 616 HD11 LEU 83 HD11 LEU 83 112.475 7.706 13.891 617 HD12 LEU 83 HD12 LEU 83 114.142 7.512 13.351 618 HD13 LEU 83 HD13 LEU 83 112.887 7.948 12.196 619 HD21 LEU 83 HD21 LEU 83 113.866 10.429 11.560 620 HD22 LEU 83 HD22 LEU 83 115.136 9.345 12.122 621 HD23 LEU 83 HD23 LEU 83 114.976 10.953 12.822 622 H THR 84 HN THR 84 111.751 13.202 11.970 623 HA THR 84 HA THR 84 109.035 13.856 13.066 624 HB THR 84 HB THR 84 109.259 16.120 12.213 625 HG1 THR 84 HG1 THR 84 111.625 15.051 11.137 626 HG21 THR 84 HG21 THR 84 110.370 15.357 14.450 627 HG22 THR 84 HG22 THR 84 110.757 16.954 13.809 628 HG23 THR 84 HG23 THR 84 111.887 15.618 13.588 629 H ASN 85 HN ASN 85 107.466 14.433 11.332 630 HA ASN 85 HA ASN 85 106.377 13.853 9.333 631 HB2 ASN 85 HB2 ASN 85 109.201 14.343 8.361 632 HB3 ASN 85 HB1 ASN 85 107.842 14.059 7.274 633 HD21 ASN 85 HD21 ASN 85 109.268 16.560 7.292 634 HD22 ASN 85 HD22 ASN 85 108.216 17.764 7.861 635 H ILE 86 HN ILE 86 106.850 11.638 10.826 636 HA ILE 86 HA ILE 86 108.374 9.636 9.355 637 HB ILE 86 HB ILE 86 106.423 9.401 11.664 638 HG12 ILE 86 HG12 ILE 86 109.446 9.192 11.641 639 HG13 ILE 86 HG11 ILE 86 108.591 10.694 11.994 640 HG21 ILE 86 HG21 ILE 86 108.063 7.394 10.152 641 HG22 ILE 86 HG22 ILE 86 106.436 7.242 10.815 642 HG23 ILE 86 HG23 ILE 86 107.830 7.178 11.888 643 HD11 ILE 86 HD11 ILE 86 108.510 8.102 13.550 644 HD12 ILE 86 HD12 ILE 86 107.319 9.381 13.784 645 HD13 ILE 86 HD13 ILE 86 109.022 9.692 14.115 646 H ILE 87 HN ILE 87 107.628 8.326 7.761 647 HA ILE 87 HA ILE 87 104.668 8.282 7.244 648 HB ILE 87 HB ILE 87 106.938 7.992 5.246 649 HG12 ILE 87 HG12 ILE 87 106.816 10.294 6.047 650 HG13 ILE 87 HG11 ILE 87 106.136 10.216 4.423 651 HG21 ILE 87 HG21 ILE 87 105.100 6.796 4.382 652 HG22 ILE 87 HG22 ILE 87 104.935 8.393 3.654 653 HG23 ILE 87 HG23 ILE 87 103.931 7.944 5.033 654 HD11 ILE 87 HD11 ILE 87 103.862 9.843 5.692 655 HD12 ILE 87 HD12 ILE 87 104.522 11.470 5.548 656 HD13 ILE 87 HD13 ILE 87 104.723 10.567 7.049 657 H MET 88 HN MET 88 103.837 6.262 7.678 658 HA MET 88 HA MET 88 105.624 3.898 7.190 659 HB2 MET 88 HB2 MET 88 103.480 4.240 9.309 660 HB3 MET 88 HB1 MET 88 104.392 2.760 9.012 661 HG2 MET 88 HG2 MET 88 106.489 3.909 9.539 662 HG3 MET 88 HG1 MET 88 105.620 5.424 9.757 663 HE1 MET 88 HE1 MET 88 106.896 2.267 11.087 664 HE2 MET 88 HE2 MET 88 105.270 1.605 10.933 665 HE3 MET 88 HE3 MET 88 105.968 1.847 12.532 666 H ASP 89 HN ASP 89 104.898 3.152 5.229 667 HA ASP 89 HA ASP 89 101.932 2.749 4.933 668 HB2 ASP 89 HB2 ASP 89 104.109 3.180 2.879 669 HB3 ASP 89 HB1 ASP 89 102.496 2.617 2.453 670 H HIS 90 HN HIS 90 101.671 0.661 5.709 671 HA HIS 90 HA HIS 90 103.623 -1.430 5.182 672 HB2 HIS 90 HB2 HIS 90 100.833 -1.484 6.344 673 HB3 HIS 90 HB1 HIS 90 101.851 -2.916 6.194 674 HD1 HIS 90 HD1 HIS 90 104.174 -2.848 7.525 675 HD2 HIS 90 HD2 HIS 90 101.459 0.158 8.523 676 HE1 HIS 90 HE1 HIS 90 104.973 -1.859 9.718 677 HE2 HIS 90 HE2 HIS 90 103.327 -0.029 10.333 678 H TYR 91 HN TYR 91 100.570 -0.417 3.713 679 HA TYR 91 HA TYR 91 100.069 -2.754 2.173 680 HB2 TYR 91 HB2 TYR 91 98.409 -0.976 2.328 681 HB3 TYR 91 HB1 TYR 91 99.494 0.148 1.509 682 HD1 TYR 91 HD1 TYR 91 97.701 -3.102 1.069 683 HD2 TYR 91 HD2 TYR 91 99.566 0.259 -0.846 684 HE1 TYR 91 HE1 TYR 91 96.878 -3.898 -1.130 685 HE2 TYR 91 HE2 TYR 91 98.744 -0.538 -3.046 686 HH TYR 91 HH TYR 91 96.862 -3.556 -3.319 687 H ASN 92 HN ASN 92 101.976 0.158 1.343 688 HA ASN 92 HA ASN 92 102.923 -1.176 -1.120 689 HB2 ASN 92 HB2 ASN 92 103.394 1.567 0.074 690 HB3 ASN 92 HB1 ASN 92 104.237 1.001 -1.367 691 HD21 ASN 92 HD21 ASN 92 102.380 3.231 -1.404 692 HD22 ASN 92 HD22 ASN 92 101.055 2.780 -2.363 693 H ASN 93 HN ASN 93 103.664 -1.442 2.032 694 HA ASN 93 HA ASN 93 105.586 -2.086 3.232 695 HB2 ASN 93 HB2 ASN 93 106.171 -3.162 0.463 696 HB3 ASN 93 HB1 ASN 93 107.159 -3.537 1.877 697 HD21 ASN 93 HD21 ASN 93 105.663 -5.561 0.450 698 HD22 ASN 93 HD22 ASN 93 104.458 -6.148 1.490 699 H THR 94 HN THR 94 105.722 0.613 2.531 700 HA THR 94 HA THR 94 108.634 0.916 1.955 701 HB THR 94 HB THR 94 107.457 1.638 -0.046 702 HG1 THR 94 HG1 THR 94 108.261 3.792 1.610 703 HG21 THR 94 HG21 THR 94 105.281 2.022 1.287 704 HG22 THR 94 HG22 THR 94 105.626 3.134 -0.037 705 HG23 THR 94 HG23 THR 94 105.932 3.623 1.627 706 H PHE 95 HN PHE 95 109.697 2.215 3.397 707 HA PHE 95 HA PHE 95 108.016 3.825 5.295 708 HB2 PHE 95 HB2 PHE 95 110.463 2.152 5.943 709 HB3 PHE 95 HB1 PHE 95 109.609 3.192 7.083 710 HD1 PHE 95 HD1 PHE 95 109.451 0.079 5.121 711 HD2 PHE 95 HD2 PHE 95 107.389 2.605 7.913 712 HE1 PHE 95 HE1 PHE 95 107.842 -1.750 5.587 713 HE2 PHE 95 HE2 PHE 95 105.779 0.778 8.380 714 HZ PHE 95 HZ PHE 95 106.004 -1.400 7.216 715 H TYR 96 HN TYR 96 108.802 5.873 5.766 716 HA TYR 96 HA TYR 96 111.525 6.586 4.752 717 HB2 TYR 96 HB2 TYR 96 109.039 8.290 4.382 718 HB3 TYR 96 HB1 TYR 96 110.666 8.673 3.828 719 HD1 TYR 96 HD2 TYR 96 111.661 7.515 1.913 720 HD2 TYR 96 HD1 TYR 96 107.690 6.593 3.267 721 HE1 TYR 96 HE2 TYR 96 111.214 6.315 -0.211 722 HE2 TYR 96 HE1 TYR 96 107.243 5.402 1.140 723 HH TYR 96 HH TYR 96 108.502 4.291 -0.644 724 H SER 97 HN SER 97 112.560 8.227 6.001 725 HA SER 97 HA SER 97 111.035 9.446 8.225 726 HB2 SER 97 HB2 SER 97 111.946 7.374 9.194 727 HB3 SER 97 HB1 SER 97 113.558 7.808 8.636 728 HG SER 97 HG SER 97 113.651 8.744 10.527 729 H ARG 98 HN ARG 98 111.903 11.463 8.839 730 HA ARG 98 HA ARG 98 114.073 12.466 7.056 731 HB2 ARG 98 HB2 ARG 98 112.354 14.130 8.907 732 HB3 ARG 98 HB1 ARG 98 113.241 14.655 7.478 733 HG2 ARG 98 HG2 ARG 98 110.777 12.890 7.548 734 HG3 ARG 98 HG1 ARG 98 110.907 14.516 6.872 735 HD2 ARG 98 HD2 ARG 98 112.653 13.585 5.280 736 HD3 ARG 98 HD1 ARG 98 112.226 11.986 5.856 737 HE ARG 98 HE ARG 98 109.810 13.262 5.088 738 HH11 ARG 98 HH21 ARG 98 112.825 12.420 3.623 739 HH12 ARG 98 HH22 ARG 98 112.108 12.021 2.098 740 HH21 ARG 98 HH11 ARG 98 108.878 12.746 3.118 741 HH22 ARG 98 HH12 ARG 98 109.878 12.200 1.813 742 H LEU 99 HN LEU 99 116.039 13.010 7.861 743 HA LEU 99 HA LEU 99 116.541 12.501 10.724 744 HB2 LEU 99 HB2 LEU 99 118.408 13.081 8.418 745 HB3 LEU 99 HB1 LEU 99 118.943 12.761 10.065 746 HG LEU 99 HG LEU 99 117.318 10.867 8.346 747 HD11 LEU 99 HD11 LEU 99 119.578 9.542 8.757 748 HD12 LEU 99 HD12 LEU 99 120.240 11.166 8.945 749 HD13 LEU 99 HD13 LEU 99 119.443 10.707 7.439 750 HD21 LEU 99 HD21 LEU 99 118.198 9.319 10.322 751 HD22 LEU 99 HD22 LEU 99 116.726 10.265 10.521 752 HD23 LEU 99 HD23 LEU 99 118.247 10.846 11.198 753 HA PRO 100 HA PRO 100 116.414 16.815 11.944 754 HB2 PRO 100 HB2 PRO 100 118.937 16.113 13.400 755 HB3 PRO 100 HB1 PRO 100 117.487 16.946 13.996 756 HG2 PRO 100 HG2 PRO 100 117.992 14.385 14.578 757 HG3 PRO 100 HG1 PRO 100 116.345 14.997 14.345 758 HD2 PRO 100 HD2 PRO 100 117.948 13.234 12.579 759 HD3 PRO 100 HD1 PRO 100 116.184 13.425 12.705 760 H SER 101 HN SER 101 118.118 18.717 12.010 761 HA SER 101 HA SER 101 119.606 18.580 9.474 762 HB2 SER 101 HB2 SER 101 119.485 20.910 11.397 763 HB3 SER 101 HB1 SER 101 119.842 20.950 9.673 764 HG SER 101 HG SER 101 117.472 19.736 10.197 765 H LEU 102 HN LEU 102 120.267 18.037 12.760 766 HA LEU 102 HA LEU 102 123.196 18.139 12.183 767 HB2 LEU 102 HB2 LEU 102 122.631 20.187 13.410 768 HB3 LEU 102 HB1 LEU 102 121.847 19.233 14.668 769 HG LEU 102 HG LEU 102 123.979 18.148 15.206 770 HD11 LEU 102 HD11 LEU 102 124.864 19.664 12.773 771 HD12 LEU 102 HD12 LEU 102 125.236 18.009 13.254 772 HD13 LEU 102 HD13 LEU 102 126.033 19.359 14.058 773 HD21 LEU 102 HD21 LEU 102 123.394 20.314 16.288 774 HD22 LEU 102 HD22 LEU 102 124.271 21.163 15.016 775 HD23 LEU 102 HD23 LEU 102 125.137 20.104 16.129 776 H ILE 103 HN ILE 103 124.224 16.300 12.821 777 HA ILE 103 HA ILE 103 123.087 14.695 15.042 778 HB ILE 103 HB ILE 103 123.721 13.596 12.287 779 HG12 ILE 103 HG12 ILE 103 121.157 13.497 13.904 780 HG13 ILE 103 HG11 ILE 103 121.470 14.682 12.636 781 HG21 ILE 103 HG21 ILE 103 123.286 12.287 14.965 782 HG22 ILE 103 HG22 ILE 103 124.512 11.934 13.748 783 HG23 ILE 103 HG23 ILE 103 122.839 11.443 13.481 784 HD11 ILE 103 HD11 ILE 103 121.733 11.724 12.115 785 HD12 ILE 103 HD12 ILE 103 121.541 13.029 10.947 786 HD13 ILE 103 HD13 ILE 103 120.183 12.549 11.965 787 H SER 104 HN SER 104 124.758 14.249 16.416 788 HA SER 104 HA SER 104 127.525 14.136 15.255 789 HB2 SER 104 HB2 SER 104 127.412 16.095 16.611 790 HB3 SER 104 HB1 SER 104 126.524 15.254 17.879 791 HG SER 104 HG SER 104 129.144 14.560 17.035 792 H ASP 105 HN ASP 105 126.136 11.785 15.266 793 HA ASP 105 HA ASP 105 127.567 10.277 17.382 794 HB2 ASP 105 HB2 ASP 105 124.590 10.253 16.912 795 HB3 ASP 105 HB1 ASP 105 125.416 8.874 17.645 796 H ASN 106 HN ASN 106 127.924 8.059 16.813 797 HA ASN 106 HA ASN 106 127.738 7.559 13.882 798 HB2 ASN 106 HB2 ASN 106 129.473 6.357 16.053 799 HB3 ASN 106 HB1 ASN 106 129.415 5.729 14.406 800 HD21 ASN 106 HD21 ASN 106 131.819 6.840 15.527 801 HD22 ASN 106 HD22 ASN 106 132.186 8.266 14.682 802 H TRP 107 HN TRP 107 125.459 7.199 15.675 803 HA TRP 107 HA TRP 107 125.115 4.477 16.425 804 HB2 TRP 107 HB2 TRP 107 122.690 5.008 16.492 805 HB3 TRP 107 HB1 TRP 107 123.662 6.220 17.327 806 HD1 TRP 107 HD1 TRP 107 124.317 8.427 15.692 807 HE1 TRP 107 HE1 TRP 107 122.806 9.683 14.071 808 HE3 TRP 107 HE3 TRP 107 120.704 4.896 14.995 809 HZ2 TRP 107 HZ2 TRP 107 120.348 9.265 12.654 810 HZ3 TRP 107 HZ3 TRP 107 118.785 5.368 13.503 811 HH2 TRP 107 HH2 TRP 107 118.597 7.538 12.350 812 H LYS 108 HN LYS 108 123.758 2.871 15.422 813 HA LYS 108 HA LYS 108 123.385 3.152 12.480 814 HB2 LYS 108 HB2 LYS 108 125.522 1.997 12.785 815 HB3 LYS 108 HB1 LYS 108 124.775 0.860 13.907 816 HG2 LYS 108 HG2 LYS 108 123.311 0.024 12.118 817 HG3 LYS 108 HG1 LYS 108 124.006 1.189 10.992 818 HD2 LYS 108 HD2 LYS 108 126.220 0.151 11.264 819 HD3 LYS 108 HD1 LYS 108 125.542 -1.006 12.409 820 HE2 LYS 108 HE2 LYS 108 124.055 -1.885 10.675 821 HE3 LYS 108 HE1 LYS 108 124.677 -0.705 9.518 822 HZ1 LYS 108 HZ1 LYS 108 126.447 -1.963 9.130 823 HZ2 LYS 108 HZ2 LYS 108 125.673 -3.208 9.988 824 HZ3 LYS 108 HZ3 LYS 108 126.766 -2.178 10.781 825 H PHE 109 HN PHE 109 121.681 1.798 11.645 826 HA PHE 109 HA PHE 109 120.249 0.050 13.540 827 HB2 PHE 109 HB2 PHE 109 118.182 1.234 13.550 828 HB3 PHE 109 HB1 PHE 109 119.409 2.449 13.900 829 HD1 PHE 109 HD2 PHE 109 120.098 4.084 12.179 830 HD2 PHE 109 HD1 PHE 109 116.979 1.222 11.451 831 HE1 PHE 109 HE2 PHE 109 119.352 5.397 10.212 832 HE2 PHE 109 HE1 PHE 109 116.236 2.532 9.482 833 HZ PHE 109 HZ PHE 109 117.422 4.620 8.861 834 H PHE 110 HN PHE 110 118.405 -1.096 12.337 835 HA PHE 110 HA PHE 110 118.551 -0.899 9.404 836 HB2 PHE 110 HB2 PHE 110 119.106 -3.392 9.261 837 HB3 PHE 110 HB1 PHE 110 120.431 -2.316 9.702 838 HD1 PHE 110 HD2 PHE 110 121.103 -2.096 12.111 839 HD2 PHE 110 HD1 PHE 110 118.275 -5.041 10.780 840 HE1 PHE 110 HE2 PHE 110 121.419 -3.353 14.226 841 HE2 PHE 110 HE1 PHE 110 118.594 -6.295 12.896 842 HZ PHE 110 HZ PHE 110 120.162 -5.454 14.618 843 H CYS 111 HN CYS 111 117.033 -2.339 8.324 844 HA CYS 111 HA CYS 111 114.797 -3.298 10.070 845 HB2 CYS 111 HB2 CYS 111 114.616 -1.803 7.436 846 HB3 CYS 111 HB1 CYS 111 113.254 -2.638 8.176 847 H VAL 112 HN VAL 112 113.615 -5.149 9.085 848 HA VAL 112 HA VAL 112 115.230 -6.520 6.955 849 HB VAL 112 HB VAL 112 114.151 -7.660 9.531 850 HG11 VAL 112 HG11 VAL 112 115.078 -9.021 6.994 851 HG12 VAL 112 HG12 VAL 112 113.580 -9.288 7.887 852 HG13 VAL 112 HG13 VAL 112 115.116 -9.831 8.561 853 HG21 VAL 112 HG21 VAL 112 116.905 -7.656 8.267 854 HG22 VAL 112 HG22 VAL 112 116.494 -8.306 9.852 855 HG23 VAL 112 HG23 VAL 112 116.393 -6.569 9.555 856 H CYS 113 HN CYS 113 114.143 -7.630 5.429 857 HA CYS 113 HA CYS 113 111.156 -7.751 5.594 858 HB2 CYS 113 HB2 CYS 113 112.962 -7.081 3.260 859 HB3 CYS 113 HB1 CYS 113 111.311 -7.643 3.018 860 H SER 114 HN SER 114 110.383 -9.900 5.297 861 HA SER 114 HA SER 114 111.857 -11.808 3.693 862 HB2 SER 114 HB2 SER 114 112.653 -13.258 5.472 863 HB3 SER 114 HB1 SER 114 113.324 -11.645 5.700 864 HG SER 114 HG SER 114 111.894 -13.044 7.400 865 H LYS 115 HN LYS 115 111.075 -14.131 4.306 866 HA LYS 115 HA LYS 115 108.372 -14.299 5.428 867 HB2 LYS 115 HB2 LYS 115 108.936 -14.742 2.490 868 HB3 LYS 115 HB1 LYS 115 107.562 -15.494 3.301 869 HG2 LYS 115 HG2 LYS 115 106.972 -13.100 4.092 870 HG3 LYS 115 HG1 LYS 115 108.098 -12.562 2.848 871 HD2 LYS 115 HD2 LYS 115 105.605 -14.242 2.460 872 HD3 LYS 115 HD1 LYS 115 105.893 -12.612 1.853 873 HE2 LYS 115 HE2 LYS 115 107.278 -15.165 0.996 874 HE3 LYS 115 HE1 LYS 115 106.257 -14.118 0.013 875 HZ1 LYS 115 HZ1 LYS 115 108.773 -13.889 -0.213 876 HZ2 LYS 115 HZ2 LYS 115 108.715 -13.092 1.286 877 HZ3 LYS 115 HZ3 LYS 115 107.865 -12.467 -0.046 878 H ASP 116 HN ASP 116 107.705 -16.684 5.458 879 HA ASP 116 HA ASP 116 109.840 -18.301 6.422 880 HB2 ASP 116 HB2 ASP 116 108.231 -20.173 6.288 881 HB3 ASP 116 HB1 ASP 116 107.477 -18.736 6.982 882 H ASN 117 HN ASN 117 110.875 -20.149 5.424 883 HA ASN 117 HA ASN 117 112.142 -21.019 3.622 884 HB2 ASN 117 HB2 ASN 117 109.841 -22.105 3.448 885 HB3 ASN 117 HB1 ASN 117 109.477 -20.920 2.192 886 HD21 ASN 117 HD21 ASN 117 109.577 -23.719 1.592 887 HD22 ASN 117 HD22 ASN 117 110.909 -24.001 0.579 888 H GLU 118 HN GLU 118 112.841 -18.481 3.577 889 HA GLU 118 HA GLU 118 113.065 -17.825 0.756 890 HB2 GLU 118 HB2 GLU 118 111.288 -16.174 2.558 891 HB3 GLU 118 HB1 GLU 118 112.070 -15.471 1.143 892 HG2 GLU 118 HG2 GLU 118 111.019 -17.526 -0.120 893 HG3 GLU 118 HG1 GLU 118 109.946 -17.596 1.277 894 H LYS 119 HN LYS 119 114.784 -16.373 0.387 895 HA LYS 119 HA LYS 119 116.726 -16.079 2.474 896 HB2 LYS 119 HB2 LYS 119 116.471 -14.520 -0.120 897 HB3 LYS 119 HB1 LYS 119 117.922 -14.635 0.874 898 HG2 LYS 119 HG2 LYS 119 117.899 -17.116 0.546 899 HG3 LYS 119 HG1 LYS 119 116.533 -16.922 -0.548 900 HD2 LYS 119 HD2 LYS 119 119.144 -15.457 -0.962 901 HD3 LYS 119 HD1 LYS 119 118.836 -17.049 -1.655 902 HE2 LYS 119 HE2 LYS 119 116.697 -16.033 -2.642 903 HE3 LYS 119 HE1 LYS 119 117.369 -14.463 -2.203 904 HZ1 LYS 119 HZ1 LYS 119 117.873 -15.799 -4.500 905 HZ2 LYS 119 HZ2 LYS 119 119.240 -16.162 -3.559 906 HZ3 LYS 119 HZ3 LYS 119 118.822 -14.545 -3.866 907 H LYS 120 HN LYS 120 117.019 -14.411 3.935 908 HA LYS 120 HA LYS 120 114.876 -12.426 4.167 909 HB2 LYS 120 HB2 LYS 120 115.653 -12.025 6.344 910 HB3 LYS 120 HB1 LYS 120 116.035 -13.724 6.102 911 HG2 LYS 120 HG2 LYS 120 117.993 -11.432 5.706 912 HG3 LYS 120 HG1 LYS 120 117.943 -12.489 7.099 913 HD2 LYS 120 HD2 LYS 120 118.416 -13.385 4.255 914 HD3 LYS 120 HD1 LYS 120 119.642 -13.236 5.494 915 HE2 LYS 120 HE2 LYS 120 117.461 -15.269 5.247 916 HE3 LYS 120 HE1 LYS 120 119.155 -15.490 5.665 917 HZ1 LYS 120 HZ1 LYS 120 117.177 -14.099 7.390 918 HZ2 LYS 120 HZ2 LYS 120 118.772 -14.515 7.797 919 HZ3 LYS 120 HZ3 LYS 120 117.608 -15.731 7.567 920 H LEU 121 HN LEU 121 115.141 -10.181 4.042 921 HA LEU 121 HA LEU 121 117.655 -9.267 2.685 922 HB2 LEU 121 HB2 LEU 121 114.879 -8.056 2.599 923 HB3 LEU 121 HB1 LEU 121 116.282 -7.481 1.705 924 HG LEU 121 HG LEU 121 115.171 -10.285 1.422 925 HD11 LEU 121 HD11 LEU 121 114.186 -9.463 -0.708 926 HD12 LEU 121 HD12 LEU 121 114.670 -7.822 -0.281 927 HD13 LEU 121 HD13 LEU 121 113.472 -8.670 0.696 928 HD21 LEU 121 HD21 LEU 121 117.225 -8.615 -0.036 929 HD22 LEU 121 HD22 LEU 121 116.463 -10.009 -0.799 930 HD23 LEU 121 HD23 LEU 121 117.422 -10.221 0.662 931 H VAL 122 HN VAL 122 118.935 -7.932 3.924 932 HA VAL 122 HA VAL 122 117.651 -6.619 6.284 933 HB VAL 122 HB VAL 122 120.510 -7.431 5.714 934 HG11 VAL 122 HG11 VAL 122 119.341 -5.568 7.763 935 HG12 VAL 122 HG12 VAL 122 120.846 -5.418 6.854 936 HG13 VAL 122 HG13 VAL 122 120.733 -6.564 8.189 937 HG21 VAL 122 HG21 VAL 122 118.461 -8.914 6.746 938 HG22 VAL 122 HG22 VAL 122 119.096 -8.182 8.219 939 HG23 VAL 122 HG23 VAL 122 120.151 -9.144 7.190 940 H PHE 123 HN PHE 123 117.526 -4.456 6.345 941 HA PHE 123 HA PHE 123 119.039 -2.864 4.309 942 HB2 PHE 123 HB2 PHE 123 116.692 -2.537 3.979 943 HB3 PHE 123 HB1 PHE 123 116.389 -2.429 5.712 944 HD1 PHE 123 HD1 PHE 123 118.407 -0.743 3.044 945 HD2 PHE 123 HD2 PHE 123 116.168 -0.320 6.674 946 HE1 PHE 123 HE1 PHE 123 118.700 1.711 2.934 947 HE2 PHE 123 HE2 PHE 123 116.454 2.139 6.570 948 HZ PHE 123 HZ PHE 123 117.719 3.160 4.697 949 H THR 124 HN THR 124 120.732 -1.698 5.214 950 HA THR 124 HA THR 124 120.385 -0.758 8.034 951 HB THR 124 HB THR 124 121.743 -2.920 7.828 952 HG1 THR 124 HG1 THR 124 122.324 -2.148 9.669 953 HG21 THR 124 HG21 THR 124 123.881 -1.011 6.869 954 HG22 THR 124 HG22 THR 124 122.974 -2.052 5.772 955 HG23 THR 124 HG23 THR 124 123.989 -2.764 7.025 956 H VAL 125 HN VAL 125 121.285 1.178 8.540 957 HA VAL 125 HA VAL 125 123.036 2.516 6.543 958 HB VAL 125 HB VAL 125 121.749 4.519 6.526 959 HG11 VAL 125 HG11 VAL 125 119.508 2.521 6.595 960 HG12 VAL 125 HG12 VAL 125 120.775 2.351 5.382 961 HG13 VAL 125 HG13 VAL 125 119.806 3.822 5.444 962 HG21 VAL 125 HG21 VAL 125 120.446 3.291 8.940 963 HG22 VAL 125 HG22 VAL 125 119.573 4.506 8.004 964 HG23 VAL 125 HG23 VAL 125 121.121 4.909 8.746 965 H GLU 126 HN GLU 126 124.333 4.255 7.573 966 HA GLU 126 HA GLU 126 124.344 4.114 10.565 967 HB2 GLU 126 HB2 GLU 126 126.794 3.999 10.540 968 HB3 GLU 126 HB1 GLU 126 126.113 2.627 9.664 969 HG2 GLU 126 HG2 GLU 126 126.447 3.850 7.528 970 HG3 GLU 126 HG1 GLU 126 127.187 5.178 8.422 971 H ALA 127 HN ALA 127 125.338 5.975 11.592 972 HA ALA 127 HA ALA 127 126.206 8.263 10.038 973 HB1 ALA 127 HB1 ALA 127 124.328 9.750 10.521 974 HB2 ALA 127 HB2 ALA 127 123.483 8.452 11.363 975 HB3 ALA 127 HB3 ALA 127 123.746 8.348 9.622 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 116.812 15.761 -6.595 2 H2 GLU 1 HT2 GLU 1 115.350 16.093 -5.797 3 H3 GLU 1 HT3 GLU 1 115.629 14.554 -6.458 4 HA GLU 1 HA GLU 1 117.747 15.018 -4.745 5 HB2 GLU 1 HB2 GLU 1 116.374 16.830 -3.753 6 HB3 GLU 1 HB1 GLU 1 115.067 15.677 -3.483 7 HG2 GLU 1 HG2 GLU 1 116.531 14.337 -2.029 8 HG3 GLU 1 HG1 GLU 1 117.857 15.466 -2.312 9 H LYS 2 HN LYS 2 118.080 12.817 -5.036 10 HA LYS 2 HA LYS 2 115.917 10.887 -4.843 11 HB2 LYS 2 HB2 LYS 2 118.920 10.446 -4.739 12 HB3 LYS 2 HB1 LYS 2 117.698 9.208 -5.031 13 HG2 LYS 2 HG2 LYS 2 118.018 11.655 -6.783 14 HG3 LYS 2 HG1 LYS 2 118.815 10.119 -7.124 15 HD2 LYS 2 HD2 LYS 2 116.444 9.084 -6.930 16 HD3 LYS 2 HD1 LYS 2 115.862 10.740 -7.102 17 HE2 LYS 2 HE2 LYS 2 115.917 10.044 -9.324 18 HE3 LYS 2 HE1 LYS 2 117.500 10.804 -9.156 19 HZ1 LYS 2 HZ1 LYS 2 117.076 7.918 -8.654 20 HZ2 LYS 2 HZ2 LYS 2 118.542 8.737 -8.920 21 HZ3 LYS 2 HZ3 LYS 2 117.443 8.518 -10.197 22 H VAL 3 HN VAL 3 115.824 9.194 -3.163 23 HA VAL 3 HA VAL 3 116.544 10.319 -0.495 24 HB VAL 3 HB VAL 3 114.502 8.254 -1.352 25 HG11 VAL 3 HG11 VAL 3 115.289 7.497 0.762 26 HG12 VAL 3 HG12 VAL 3 113.825 8.420 1.111 27 HG13 VAL 3 HG13 VAL 3 115.410 9.143 1.387 28 HG21 VAL 3 HG21 VAL 3 113.653 10.411 -1.804 29 HG22 VAL 3 HG22 VAL 3 114.398 11.100 -0.362 30 HG23 VAL 3 HG23 VAL 3 113.005 10.030 -0.208 31 H LYS 4 HN LYS 4 117.989 9.234 0.805 32 HA LYS 4 HA LYS 4 119.529 7.053 -0.285 33 HB2 LYS 4 HB2 LYS 4 119.333 8.004 2.594 34 HB3 LYS 4 HB1 LYS 4 120.592 6.962 1.938 35 HG2 LYS 4 HG2 LYS 4 120.020 9.774 0.967 36 HG3 LYS 4 HG1 LYS 4 121.306 9.348 2.097 37 HD2 LYS 4 HD2 LYS 4 122.065 7.664 0.280 38 HD3 LYS 4 HD1 LYS 4 121.039 8.596 -0.812 39 HE2 LYS 4 HE2 LYS 4 122.262 10.641 -0.279 40 HE3 LYS 4 HE1 LYS 4 123.260 9.764 0.880 41 HZ1 LYS 4 HZ1 LYS 4 123.103 9.179 -2.028 42 HZ2 LYS 4 HZ2 LYS 4 124.099 8.391 -0.900 43 HZ3 LYS 4 HZ3 LYS 4 124.360 10.029 -1.269 44 H GLY 5 HN GLY 5 118.855 4.979 -0.417 45 HA2 GLY 5 HA2 GLY 5 117.787 3.535 1.788 46 HA3 GLY 5 HA1 GLY 5 116.452 4.021 0.756 47 H CYS 6 HN CYS 6 116.703 1.392 0.893 48 HA CYS 6 HA CYS 6 118.168 0.613 -1.605 49 HB2 CYS 6 HB2 CYS 6 118.896 -0.325 0.719 50 HB3 CYS 6 HB1 CYS 6 117.469 -1.344 0.568 51 H ASP 7 HN ASP 7 116.933 -0.253 -3.173 52 HA ASP 7 HA ASP 7 114.065 -0.838 -2.526 53 HB2 ASP 7 HB2 ASP 7 114.660 0.949 -4.254 54 HB3 ASP 7 HB1 ASP 7 115.234 -0.370 -5.273 55 H PHE 8 HN PHE 8 113.849 -3.007 -2.169 56 HA PHE 8 HA PHE 8 115.532 -4.936 -3.630 57 HB2 PHE 8 HB2 PHE 8 113.344 -5.280 -1.560 58 HB3 PHE 8 HB1 PHE 8 114.227 -6.622 -2.283 59 HD1 PHE 8 HD2 PHE 8 116.673 -6.871 -1.899 60 HD2 PHE 8 HD1 PHE 8 114.358 -3.849 0.092 61 HE1 PHE 8 HE2 PHE 8 118.504 -6.549 -0.257 62 HE2 PHE 8 HE1 PHE 8 116.189 -3.528 1.734 63 HZ PHE 8 HZ PHE 8 118.261 -4.878 1.559 64 H THR 9 HN THR 9 112.814 -3.225 -4.340 65 HA THR 9 HA THR 9 111.481 -5.447 -5.806 66 HB THR 9 HB THR 9 110.521 -2.596 -5.478 67 HG1 THR 9 HG1 THR 9 110.250 -4.873 -3.833 68 HG21 THR 9 HG21 THR 9 108.313 -3.675 -5.885 69 HG22 THR 9 HG22 THR 9 109.142 -5.209 -6.149 70 HG23 THR 9 HG23 THR 9 109.416 -3.857 -7.249 71 H THR 10 HN THR 10 113.585 -2.763 -6.364 72 HA THR 10 HA THR 10 113.513 -3.323 -9.243 73 HB THR 10 HB THR 10 112.934 -0.491 -8.366 74 HG1 THR 10 HG1 THR 10 111.123 -1.485 -7.758 75 HG21 THR 10 HG21 THR 10 112.508 -0.092 -10.641 76 HG22 THR 10 HG22 THR 10 112.272 -1.803 -10.994 77 HG23 THR 10 HG23 THR 10 113.893 -1.183 -10.683 78 H SER 11 HN SER 11 115.576 -3.152 -9.984 79 HA SER 11 HA SER 11 117.691 -2.165 -8.285 80 HB2 SER 11 HB2 SER 11 119.127 -2.517 -10.289 81 HB3 SER 11 HB1 SER 11 118.122 -3.916 -9.932 82 HG SER 11 HG SER 11 117.989 -3.416 -12.128 83 H GLU 12 HN GLU 12 115.629 -0.730 -10.670 84 HA GLU 12 HA GLU 12 117.242 1.796 -10.545 85 HB2 GLU 12 HB2 GLU 12 115.267 0.851 -12.650 86 HB3 GLU 12 HB1 GLU 12 116.096 2.407 -12.663 87 HG2 GLU 12 HG2 GLU 12 117.485 1.124 -14.034 88 HG3 GLU 12 HG1 GLU 12 118.265 0.941 -12.462 89 H SER 13 HN SER 13 116.044 2.006 -8.399 90 HA SER 13 HA SER 13 113.179 2.368 -8.412 91 HB2 SER 13 HB2 SER 13 113.612 3.444 -6.164 92 HB3 SER 13 HB1 SER 13 114.260 1.814 -6.336 93 HG SER 13 HG SER 13 116.125 2.664 -5.916 94 H THR 14 HN THR 14 112.024 4.354 -8.172 95 HA THR 14 HA THR 14 113.368 6.651 -9.519 96 HB THR 14 HB THR 14 111.374 6.139 -10.681 97 HG1 THR 14 HG1 THR 14 111.034 8.157 -8.759 98 HG21 THR 14 HG21 THR 14 109.205 5.783 -9.405 99 HG22 THR 14 HG22 THR 14 110.179 5.702 -7.937 100 HG23 THR 14 HG23 THR 14 110.409 4.508 -9.216 101 H ILE 15 HN ILE 15 112.819 5.551 -6.489 102 HA ILE 15 HA ILE 15 112.515 8.317 -5.385 103 HB ILE 15 HB ILE 15 111.500 7.129 -3.364 104 HG12 ILE 15 HG12 ILE 15 111.048 4.917 -5.382 105 HG13 ILE 15 HG11 ILE 15 112.328 4.855 -4.173 106 HG21 ILE 15 HG21 ILE 15 109.270 6.972 -4.447 107 HG22 ILE 15 HG22 ILE 15 110.049 7.031 -6.027 108 HG23 ILE 15 HG23 ILE 15 110.140 8.422 -4.948 109 HD11 ILE 15 HD11 ILE 15 110.272 3.686 -3.406 110 HD12 ILE 15 HD12 ILE 15 109.376 5.198 -3.563 111 HD13 ILE 15 HD13 ILE 15 110.673 5.060 -2.375 112 H PHE 16 HN PHE 16 114.232 5.263 -5.287 113 HA PHE 16 HA PHE 16 115.957 6.366 -3.096 114 HB2 PHE 16 HB2 PHE 16 115.459 3.503 -3.951 115 HB3 PHE 16 HB1 PHE 16 116.670 3.984 -2.763 116 HD1 PHE 16 HD2 PHE 16 115.788 5.539 -0.815 117 HD2 PHE 16 HD1 PHE 16 113.297 2.997 -3.220 118 HE1 PHE 16 HE2 PHE 16 114.044 5.580 0.948 119 HE2 PHE 16 HE1 PHE 16 111.555 3.047 -1.461 120 HZ PHE 16 HZ PHE 16 111.925 4.332 0.625 121 H SER 17 HN SER 17 118.117 6.596 -3.461 122 HA SER 17 HA SER 17 119.060 6.713 -6.179 123 HB2 SER 17 HB2 SER 17 121.245 7.256 -5.158 124 HB3 SER 17 HB1 SER 17 119.942 8.186 -4.423 125 HG SER 17 HG SER 17 120.672 7.356 -2.634 126 H LYS 18 HN LYS 18 118.934 4.103 -3.917 127 HA LYS 18 HA LYS 18 120.669 2.511 -5.768 128 HB2 LYS 18 HB2 LYS 18 120.778 2.549 -2.744 129 HB3 LYS 18 HB1 LYS 18 121.549 1.312 -3.737 130 HG2 LYS 18 HG2 LYS 18 122.876 3.040 -4.881 131 HG3 LYS 18 HG1 LYS 18 122.095 4.291 -3.913 132 HD2 LYS 18 HD2 LYS 18 122.980 3.229 -1.854 133 HD3 LYS 18 HD1 LYS 18 123.799 2.021 -2.844 134 HE2 LYS 18 HE2 LYS 18 124.261 5.005 -3.095 135 HE3 LYS 18 HE1 LYS 18 125.285 3.925 -2.148 136 HZ1 LYS 18 HZ1 LYS 18 124.698 3.380 -4.989 137 HZ2 LYS 18 HZ2 LYS 18 125.977 2.794 -4.036 138 HZ3 LYS 18 HZ3 LYS 18 125.963 4.417 -4.540 139 H GLY 19 HN GLY 19 120.053 0.363 -6.053 140 HA2 GLY 19 HA2 GLY 19 117.976 -0.861 -4.419 141 HA3 GLY 19 HA1 GLY 19 117.392 -0.378 -6.010 142 H TYR 20 HN TYR 20 117.281 -3.017 -5.544 143 HA TYR 20 HA TYR 20 119.615 -4.123 -7.064 144 HB2 TYR 20 HB2 TYR 20 118.088 -5.301 -4.740 145 HB3 TYR 20 HB1 TYR 20 119.047 -6.299 -5.831 146 HD1 TYR 20 HD1 TYR 20 119.217 -3.400 -3.497 147 HD2 TYR 20 HD2 TYR 20 121.412 -6.395 -5.656 148 HE1 TYR 20 HE1 TYR 20 121.272 -2.798 -2.248 149 HE2 TYR 20 HE2 TYR 20 123.467 -5.791 -4.406 150 HH TYR 20 HH TYR 20 123.432 -3.922 -1.611 151 H SER 21 HN SER 21 119.036 -6.058 -8.346 152 HA SER 21 HA SER 21 116.312 -5.749 -9.504 153 HB2 SER 21 HB2 SER 21 117.925 -5.744 -11.230 154 HB3 SER 21 HB1 SER 21 118.876 -7.011 -10.466 155 HG SER 21 HG SER 21 116.235 -7.361 -11.442 156 H ILE 22 HN ILE 22 114.964 -7.661 -9.831 157 HA ILE 22 HA ILE 22 114.773 -9.378 -7.614 158 HB ILE 22 HB ILE 22 113.274 -10.756 -9.004 159 HG12 ILE 22 HG12 ILE 22 114.157 -8.931 -11.262 160 HG13 ILE 22 HG11 ILE 22 114.650 -10.615 -11.088 161 HG21 ILE 22 HG21 ILE 22 112.854 -7.833 -9.649 162 HG22 ILE 22 HG22 ILE 22 112.626 -8.483 -8.025 163 HG23 ILE 22 HG23 ILE 22 111.628 -9.067 -9.357 164 HD11 ILE 22 HD11 ILE 22 111.885 -9.532 -11.607 165 HD12 ILE 22 HD12 ILE 22 112.141 -11.167 -10.999 166 HD13 ILE 22 HD13 ILE 22 112.801 -10.695 -12.565 167 H ASN 23 HN ASN 23 116.580 -9.752 -10.618 168 HA ASN 23 HA ASN 23 117.248 -12.523 -10.273 169 HB2 ASN 23 HB2 ASN 23 117.532 -11.404 -12.432 170 HB3 ASN 23 HB1 ASN 23 118.741 -10.326 -11.734 171 HD21 ASN 23 HD21 ASN 23 120.769 -10.997 -12.446 172 HD22 ASN 23 HD22 ASN 23 121.288 -12.612 -12.524 173 H GLU 24 HN GLU 24 118.830 -9.517 -9.245 174 HA GLU 24 HA GLU 24 121.220 -10.680 -8.250 175 HB2 GLU 24 HB2 GLU 24 119.706 -8.207 -7.368 176 HB3 GLU 24 HB1 GLU 24 121.317 -8.624 -6.785 177 HG2 GLU 24 HG2 GLU 24 120.609 -8.291 -9.713 178 HG3 GLU 24 HG1 GLU 24 121.339 -7.027 -8.722 179 H ILE 25 HN ILE 25 118.125 -10.025 -6.572 180 HA ILE 25 HA ILE 25 119.128 -11.219 -4.097 181 HB ILE 25 HB ILE 25 116.786 -10.982 -3.311 182 HG12 ILE 25 HG12 ILE 25 116.240 -9.858 -6.058 183 HG13 ILE 25 HG11 ILE 25 115.786 -11.493 -5.591 184 HG21 ILE 25 HG21 ILE 25 117.883 -8.586 -4.815 185 HG22 ILE 25 HG22 ILE 25 118.310 -9.061 -3.171 186 HG23 ILE 25 HG23 ILE 25 116.674 -8.513 -3.533 187 HD11 ILE 25 HD11 ILE 25 114.927 -9.039 -4.041 188 HD12 ILE 25 HD12 ILE 25 114.324 -10.687 -3.864 189 HD13 ILE 25 HD13 ILE 25 113.948 -9.762 -5.318 190 H SER 26 HN SER 26 117.823 -12.442 -7.012 191 HA SER 26 HA SER 26 116.885 -14.945 -5.730 192 HB2 SER 26 HB2 SER 26 115.894 -15.484 -7.796 193 HB3 SER 26 HB1 SER 26 115.717 -13.733 -7.715 194 HG SER 26 HG SER 26 117.716 -13.633 -8.922 195 H ASN 27 HN ASN 27 119.032 -14.149 -8.481 196 HA ASN 27 HA ASN 27 120.512 -16.024 -9.335 197 HB2 ASN 27 HB2 ASN 27 121.756 -14.146 -7.308 198 HB3 ASN 27 HB1 ASN 27 122.707 -15.217 -8.338 199 HD21 ASN 27 HD21 ASN 27 122.895 -12.345 -8.532 200 HD22 ASN 27 HD22 ASN 27 122.289 -11.882 -10.048 201 H LYS 28 HN LYS 28 119.647 -17.992 -8.394 202 HA LYS 28 HA LYS 28 120.080 -18.768 -5.668 203 HB2 LYS 28 HB2 LYS 28 119.508 -21.028 -6.422 204 HB3 LYS 28 HB1 LYS 28 118.420 -19.854 -7.165 205 HG2 LYS 28 HG2 LYS 28 119.860 -19.849 -9.197 206 HG3 LYS 28 HG1 LYS 28 120.864 -21.097 -8.457 207 HD2 LYS 28 HD2 LYS 28 118.913 -22.597 -8.320 208 HD3 LYS 28 HD1 LYS 28 117.902 -21.352 -9.055 209 HE2 LYS 28 HE2 LYS 28 119.302 -21.398 -11.081 210 HE3 LYS 28 HE1 LYS 28 120.324 -22.636 -10.351 211 HZ1 LYS 28 HZ1 LYS 28 117.613 -22.849 -11.412 212 HZ2 LYS 28 HZ2 LYS 28 117.990 -23.795 -10.052 213 HZ3 LYS 28 HZ3 LYS 28 118.894 -23.958 -11.481 214 H SER 29 HN SER 29 122.482 -17.786 -7.294 215 HA SER 29 HA SER 29 124.237 -20.170 -7.024 216 HB2 SER 29 HB2 SER 29 125.846 -18.880 -8.364 217 HB3 SER 29 HB1 SER 29 124.296 -18.983 -9.194 218 HG SER 29 HG SER 29 123.821 -16.901 -8.306 219 H SER 30 HN SER 30 124.691 -16.659 -6.557 220 HA SER 30 HA SER 30 126.751 -16.821 -4.657 221 HB2 SER 30 HB2 SER 30 126.130 -14.563 -3.981 222 HB3 SER 30 HB1 SER 30 125.926 -14.712 -5.724 223 HG SER 30 HG SER 30 123.752 -15.392 -4.132 224 H ASN 31 HN ASN 31 126.634 -18.164 -2.899 225 HA ASN 31 HA ASN 31 124.214 -18.822 -1.511 226 HB2 ASN 31 HB2 ASN 31 127.137 -19.079 -0.803 227 HB3 ASN 31 HB1 ASN 31 125.865 -19.577 0.314 228 HD21 ASN 31 HD21 ASN 31 127.675 -21.490 -0.814 229 HD22 ASN 31 HD22 ASN 31 126.801 -22.502 -1.860 230 H ASN 32 HN ASN 32 126.691 -16.348 -0.967 231 HA ASN 32 HA ASN 32 125.877 -15.498 1.611 232 HB2 ASN 32 HB2 ASN 32 127.940 -14.696 0.529 233 HB3 ASN 32 HB1 ASN 32 126.980 -13.824 -0.668 234 HD21 ASN 32 HD21 ASN 32 128.119 -11.839 0.237 235 HD22 ASN 32 HD22 ASN 32 127.495 -11.122 1.643 236 H GLN 33 HN GLN 33 124.125 -15.435 -1.281 237 HA GLN 33 HA GLN 33 122.705 -12.999 -1.113 238 HB2 GLN 33 HB2 GLN 33 120.989 -14.078 -2.455 239 HB3 GLN 33 HB1 GLN 33 122.570 -14.617 -3.013 240 HG2 GLN 33 HG2 GLN 33 122.296 -16.615 -1.443 241 HG3 GLN 33 HG1 GLN 33 120.613 -16.123 -1.273 242 HE21 GLN 33 HE21 GLN 33 121.312 -18.624 -2.493 243 HE22 GLN 33 HE22 GLN 33 120.899 -18.549 -4.136 244 H GLN 34 HN GLN 34 122.006 -16.155 0.396 245 HA GLN 34 HA GLN 34 119.612 -15.918 1.600 246 HB2 GLN 34 HB2 GLN 34 120.488 -16.986 3.624 247 HB3 GLN 34 HB1 GLN 34 121.278 -17.666 2.201 248 HG2 GLN 34 HG2 GLN 34 123.184 -16.096 2.551 249 HG3 GLN 34 HG1 GLN 34 122.409 -15.528 4.030 250 HE21 GLN 34 HE21 GLN 34 121.407 -18.080 4.957 251 HE22 GLN 34 HE22 GLN 34 122.745 -19.028 5.397 252 H ASP 35 HN ASP 35 122.413 -13.934 2.452 253 HA ASP 35 HA ASP 35 120.599 -12.237 4.126 254 HB2 ASP 35 HB2 ASP 35 123.483 -13.020 4.462 255 HB3 ASP 35 HB1 ASP 35 122.889 -11.510 5.149 256 H ILE 36 HN ILE 36 120.018 -10.622 2.657 257 HA ILE 36 HA ILE 36 122.210 -9.387 1.054 258 HB ILE 36 HB ILE 36 119.284 -8.629 0.978 259 HG12 ILE 36 HG12 ILE 36 119.431 -11.082 0.694 260 HG13 ILE 36 HG11 ILE 36 118.996 -10.296 -0.823 261 HG21 ILE 36 HG21 ILE 36 120.813 -7.151 -0.205 262 HG22 ILE 36 HG22 ILE 36 119.916 -8.096 -1.394 263 HG23 ILE 36 HG23 ILE 36 121.581 -8.527 -0.999 264 HD11 ILE 36 HD11 ILE 36 121.424 -10.355 -1.477 265 HD12 ILE 36 HD12 ILE 36 120.706 -11.949 -1.283 266 HD13 ILE 36 HD13 ILE 36 121.741 -11.288 -0.018 267 H VAL 37 HN VAL 37 123.188 -7.611 1.891 268 HA VAL 37 HA VAL 37 121.656 -5.991 3.894 269 HB VAL 37 HB VAL 37 124.643 -6.423 3.690 270 HG11 VAL 37 HG11 VAL 37 124.329 -4.254 4.582 271 HG12 VAL 37 HG12 VAL 37 124.479 -5.281 6.007 272 HG13 VAL 37 HG13 VAL 37 122.888 -4.738 5.476 273 HG21 VAL 37 HG21 VAL 37 123.111 -8.327 4.548 274 HG22 VAL 37 HG22 VAL 37 122.808 -7.277 5.932 275 HG23 VAL 37 HG23 VAL 37 124.447 -7.829 5.586 276 H CYS 38 HN CYS 38 121.247 -3.932 3.303 277 HA CYS 38 HA CYS 38 122.788 -2.802 1.008 278 HB2 CYS 38 HB2 CYS 38 120.139 -2.018 2.265 279 HB3 CYS 38 HB1 CYS 38 120.952 -1.077 1.013 280 H THR 39 HN THR 39 124.633 -1.908 1.978 281 HA THR 39 HA THR 39 124.291 -0.319 4.445 282 HB THR 39 HB THR 39 126.771 -1.053 2.857 283 HG1 THR 39 HG1 THR 39 126.337 -1.970 5.422 284 HG21 THR 39 HG21 THR 39 127.875 -0.333 5.066 285 HG22 THR 39 HG22 THR 39 126.347 0.469 5.429 286 HG23 THR 39 HG23 THR 39 127.283 0.953 4.015 287 H VAL 40 HN VAL 40 123.862 1.801 4.284 288 HA VAL 40 HA VAL 40 125.139 3.352 2.074 289 HB VAL 40 HB VAL 40 122.947 4.613 1.818 290 HG11 VAL 40 HG11 VAL 40 123.799 2.782 0.268 291 HG12 VAL 40 HG12 VAL 40 122.055 3.035 0.246 292 HG13 VAL 40 HG13 VAL 40 122.736 1.670 1.132 293 HG21 VAL 40 HG21 VAL 40 121.963 3.799 3.964 294 HG22 VAL 40 HG22 VAL 40 121.861 2.180 3.271 295 HG23 VAL 40 HG23 VAL 40 120.909 3.495 2.582 296 H LYS 41 HN LYS 41 125.799 5.396 2.740 297 HA LYS 41 HA LYS 41 125.672 5.923 5.625 298 HB2 LYS 41 HB2 LYS 41 127.731 6.352 4.284 299 HB3 LYS 41 HB1 LYS 41 126.867 7.614 3.407 300 HG2 LYS 41 HG2 LYS 41 126.462 8.817 5.523 301 HG3 LYS 41 HG1 LYS 41 127.330 7.560 6.402 302 HD2 LYS 41 HD2 LYS 41 128.623 9.046 4.118 303 HD3 LYS 41 HD1 LYS 41 128.653 9.688 5.761 304 HE2 LYS 41 HE2 LYS 41 129.594 7.434 6.491 305 HE3 LYS 41 HE1 LYS 41 129.805 7.065 4.781 306 HZ1 LYS 41 HZ1 LYS 41 131.791 8.031 5.851 307 HZ2 LYS 41 HZ2 LYS 41 130.921 9.468 6.108 308 HZ3 LYS 41 HZ3 LYS 41 131.233 8.933 4.526 309 H ALA 42 HN ALA 42 124.168 7.210 6.576 310 HA ALA 42 HA ALA 42 122.327 8.740 4.812 311 HB1 ALA 42 HB1 ALA 42 121.420 7.135 6.529 312 HB2 ALA 42 HB2 ALA 42 120.824 8.784 6.708 313 HB3 ALA 42 HB3 ALA 42 122.085 8.182 7.783 314 H HIS 43 HN HIS 43 121.813 10.970 5.335 315 HA HIS 43 HA HIS 43 123.891 12.337 7.009 316 HB2 HIS 43 HB2 HIS 43 124.135 12.517 4.429 317 HB3 HIS 43 HB1 HIS 43 122.730 13.577 4.521 318 HD1 HIS 43 HD1 HIS 43 122.991 15.757 6.038 319 HD2 HIS 43 HD2 HIS 43 126.534 13.695 5.267 320 HE1 HIS 43 HE1 HIS 43 124.884 17.333 6.636 321 HE2 HIS 43 HE2 HIS 43 127.044 16.088 6.170 322 H ALA 44 HN ALA 44 123.170 14.271 8.039 323 HA ALA 44 HA ALA 44 120.549 14.221 9.096 324 HB1 ALA 44 HB1 ALA 44 121.716 15.647 10.431 325 HB2 ALA 44 HB2 ALA 44 121.293 16.896 9.266 326 HB3 ALA 44 HB3 ALA 44 122.834 16.062 9.135 327 H ASN 45 HN ASN 45 121.725 15.580 6.106 328 HA ASN 45 HA ASN 45 119.163 17.026 5.687 329 HB2 ASN 45 HB2 ASN 45 121.767 16.951 4.140 330 HB3 ASN 45 HB1 ASN 45 120.326 17.786 3.559 331 HD21 ASN 45 HD21 ASN 45 122.739 19.216 4.181 332 HD22 ASN 45 HD22 ASN 45 122.441 20.198 5.533 333 H ASP 46 HN ASP 46 120.865 14.151 4.732 334 HA ASP 46 HA ASP 46 119.275 13.657 2.338 335 HB2 ASP 46 HB2 ASP 46 121.196 12.009 3.979 336 HB3 ASP 46 HB1 ASP 46 120.274 11.294 2.662 337 H LEU 47 HN LEU 47 117.373 12.493 2.189 338 HA LEU 47 HA LEU 47 115.951 11.882 4.678 339 HB2 LEU 47 HB2 LEU 47 115.182 11.394 1.781 340 HB3 LEU 47 HB1 LEU 47 114.110 11.191 3.166 341 HG LEU 47 HG LEU 47 115.464 13.791 2.387 342 HD11 LEU 47 HD11 LEU 47 112.509 13.219 2.280 343 HD12 LEU 47 HD12 LEU 47 113.547 12.800 0.917 344 HD13 LEU 47 HD13 LEU 47 113.422 14.478 1.447 345 HD21 LEU 47 HD21 LEU 47 113.564 14.569 4.050 346 HD22 LEU 47 HD22 LEU 47 115.098 13.984 4.685 347 HD23 LEU 47 HD23 LEU 47 113.694 12.918 4.653 348 H ILE 48 HN ILE 48 115.314 9.738 5.336 349 HA ILE 48 HA ILE 48 116.904 7.555 4.012 350 HB ILE 48 HB ILE 48 116.932 6.495 6.299 351 HG12 ILE 48 HG12 ILE 48 116.078 9.256 7.219 352 HG13 ILE 48 HG11 ILE 48 114.986 7.873 7.142 353 HG21 ILE 48 HG21 ILE 48 118.193 9.248 6.223 354 HG22 ILE 48 HG22 ILE 48 118.818 7.869 5.319 355 HG23 ILE 48 HG23 ILE 48 118.783 7.824 7.081 356 HD11 ILE 48 HD11 ILE 48 116.162 6.698 8.816 357 HD12 ILE 48 HD12 ILE 48 116.165 8.361 9.403 358 HD13 ILE 48 HD13 ILE 48 117.603 7.696 8.629 359 H GLY 49 HN GLY 49 115.853 5.637 3.609 360 HA2 GLY 49 HA2 GLY 49 113.421 4.757 4.807 361 HA3 GLY 49 HA1 GLY 49 113.008 5.646 3.340 362 H PHE 50 HN PHE 50 112.229 3.266 2.890 363 HA PHE 50 HA PHE 50 114.001 2.156 0.918 364 HB2 PHE 50 HB2 PHE 50 114.507 0.006 1.979 365 HB3 PHE 50 HB1 PHE 50 115.175 1.329 2.936 366 HD1 PHE 50 HD1 PHE 50 112.505 -1.213 2.734 367 HD2 PHE 50 HD2 PHE 50 114.266 1.902 5.112 368 HE1 PHE 50 HE1 PHE 50 111.204 -1.979 4.702 369 HE2 PHE 50 HE2 PHE 50 112.963 1.137 7.079 370 HZ PHE 50 HZ PHE 50 111.435 -0.806 6.875 371 H LYS 51 HN LYS 51 113.084 -0.060 0.140 372 HA LYS 51 HA LYS 51 110.192 -0.349 0.760 373 HB2 LYS 51 HB2 LYS 51 110.248 1.252 -1.083 374 HB3 LYS 51 HB1 LYS 51 111.267 0.169 -2.028 375 HG2 LYS 51 HG2 LYS 51 109.460 -1.536 -1.980 376 HG3 LYS 51 HG1 LYS 51 108.444 -0.409 -1.083 377 HD2 LYS 51 HD2 LYS 51 109.661 0.346 -3.738 378 HD3 LYS 51 HD1 LYS 51 108.129 -0.524 -3.647 379 HE2 LYS 51 HE2 LYS 51 107.312 1.301 -2.080 380 HE3 LYS 51 HE1 LYS 51 108.770 2.202 -2.491 381 HZ1 LYS 51 HZ1 LYS 51 108.124 2.038 -4.838 382 HZ2 LYS 51 HZ2 LYS 51 106.980 2.882 -3.906 383 HZ3 LYS 51 HZ3 LYS 51 106.679 1.279 -4.380 384 H CYS 52 HN CYS 52 109.426 -2.448 0.374 385 HA CYS 52 HA CYS 52 111.412 -4.411 -0.683 386 HB2 CYS 52 HB2 CYS 52 109.609 -4.559 1.739 387 HB3 CYS 52 HB1 CYS 52 110.240 -6.016 0.985 388 HA PRO 53 HA PRO 53 108.362 -5.766 -3.579 389 HB2 PRO 53 HB2 PRO 53 108.454 -8.553 -3.066 390 HB3 PRO 53 HB1 PRO 53 109.438 -7.662 -4.240 391 HG2 PRO 53 HG2 PRO 53 110.119 -8.557 -1.501 392 HG3 PRO 53 HG1 PRO 53 111.151 -8.403 -2.928 393 HD2 PRO 53 HD2 PRO 53 111.269 -6.638 -0.906 394 HD3 PRO 53 HD1 PRO 53 111.483 -6.118 -2.591 395 H SER 54 HN SER 54 106.159 -6.291 -3.649 396 HA SER 54 HA SER 54 104.700 -6.141 -1.174 397 HB2 SER 54 HB2 SER 54 103.826 -5.295 -3.336 398 HB3 SER 54 HB1 SER 54 103.711 -6.952 -3.921 399 HG SER 54 HG SER 54 102.243 -7.373 -2.250 400 H ASN 55 HN ASN 55 106.136 -8.802 -2.774 401 HA ASN 55 HA ASN 55 104.192 -10.751 -1.703 402 HB2 ASN 55 HB2 ASN 55 106.770 -11.107 -3.259 403 HB3 ASN 55 HB1 ASN 55 105.705 -12.427 -2.773 404 HD21 ASN 55 HD21 ASN 55 106.408 -10.653 -5.427 405 HD22 ASN 55 HD22 ASN 55 104.887 -10.604 -6.178 406 H TYR 56 HN TYR 56 106.698 -9.038 -0.407 407 HA TYR 56 HA TYR 56 107.559 -11.292 1.368 408 HB2 TYR 56 HB2 TYR 56 108.901 -8.756 0.495 409 HB3 TYR 56 HB1 TYR 56 109.393 -9.563 1.984 410 HD1 TYR 56 HD1 TYR 56 108.624 -10.380 -1.602 411 HD2 TYR 56 HD2 TYR 56 111.018 -11.222 1.855 412 HE1 TYR 56 HE1 TYR 56 109.955 -12.002 -2.920 413 HE2 TYR 56 HE2 TYR 56 112.350 -12.850 0.543 414 HH TYR 56 HH TYR 56 111.611 -13.471 -2.893 415 H SER 57 HN SER 57 107.922 -10.667 3.691 416 HA SER 57 HA SER 57 105.759 -8.790 4.566 417 HB2 SER 57 HB2 SER 57 105.268 -10.712 5.719 418 HB3 SER 57 HB1 SER 57 106.921 -11.298 5.655 419 HG SER 57 HG SER 57 105.734 -10.156 7.673 420 H VAL 58 HN VAL 58 106.321 -6.947 5.689 421 HA VAL 58 HA VAL 58 109.213 -6.440 6.012 422 HB VAL 58 HB VAL 58 108.654 -4.137 6.209 423 HG11 VAL 58 HG11 VAL 58 107.172 -3.753 4.263 424 HG12 VAL 58 HG12 VAL 58 106.665 -5.440 4.326 425 HG13 VAL 58 HG13 VAL 58 108.339 -5.037 3.944 426 HG21 VAL 58 HG21 VAL 58 106.074 -3.597 6.303 427 HG22 VAL 58 HG22 VAL 58 106.943 -3.971 7.788 428 HG23 VAL 58 HG23 VAL 58 105.961 -5.211 7.001 429 H GLU 59 HN GLU 59 110.113 -7.056 7.871 430 HA GLU 59 HA GLU 59 108.607 -6.621 10.409 431 HB2 GLU 59 HB2 GLU 59 110.410 -8.865 9.551 432 HB3 GLU 59 HB1 GLU 59 110.255 -8.470 11.263 433 HG2 GLU 59 HG2 GLU 59 107.938 -9.109 9.411 434 HG3 GLU 59 HG1 GLU 59 108.656 -10.234 10.565 435 HA PRO 60 HA PRO 60 112.164 -3.950 10.991 436 HB2 PRO 60 HB2 PRO 60 111.577 -3.003 13.466 437 HB3 PRO 60 HB1 PRO 60 110.668 -2.502 12.024 438 HG2 PRO 60 HG2 PRO 60 109.953 -4.489 14.122 439 HG3 PRO 60 HG1 PRO 60 108.932 -3.288 13.311 440 HD2 PRO 60 HD2 PRO 60 108.995 -5.957 12.619 441 HD3 PRO 60 HD1 PRO 60 108.540 -4.649 11.502 442 H HIS 61 HN HIS 61 114.103 -4.984 11.355 443 HA HIS 61 HA HIS 61 114.386 -6.786 13.684 444 HB2 HIS 61 HB2 HIS 61 115.371 -7.156 11.286 445 HB3 HIS 61 HB1 HIS 61 116.629 -6.042 11.818 446 HD1 HIS 61 HD1 HIS 61 115.973 -9.526 11.706 447 HD2 HIS 61 HD2 HIS 61 117.599 -7.012 14.609 448 HE1 HIS 61 HE1 HIS 61 117.265 -11.012 13.302 449 HE2 HIS 61 HE2 HIS 61 118.255 -9.490 15.073 450 H ASP 62 HN ASP 62 115.153 -3.582 12.639 451 HA ASP 62 HA ASP 62 115.904 -2.732 15.288 452 HB2 ASP 62 HB2 ASP 62 118.018 -3.874 14.627 453 HB3 ASP 62 HB1 ASP 62 118.129 -2.812 13.222 454 H CYS 63 HN CYS 63 114.044 -1.998 13.231 455 HA CYS 63 HA CYS 63 114.864 0.231 11.665 456 HB2 CYS 63 HB2 CYS 63 112.152 -0.418 12.862 457 HB3 CYS 63 HB1 CYS 63 112.433 0.804 11.622 458 H PHE 64 HN PHE 64 112.909 2.235 12.591 459 HA PHE 64 HA PHE 64 114.474 3.247 14.932 460 HB2 PHE 64 HB2 PHE 64 113.501 5.502 14.122 461 HB3 PHE 64 HB1 PHE 64 114.820 4.778 13.207 462 HD1 PHE 64 HD2 PHE 64 114.269 3.395 11.144 463 HD2 PHE 64 HD1 PHE 64 111.385 5.886 13.126 464 HE1 PHE 64 HE2 PHE 64 112.844 3.360 9.114 465 HE2 PHE 64 HE1 PHE 64 109.960 5.853 11.097 466 HZ PHE 64 HZ PHE 64 110.690 4.590 9.090 467 H VAL 65 HN VAL 65 111.123 3.586 13.618 468 HA VAL 65 HA VAL 65 109.925 4.627 15.920 469 HB VAL 65 HB VAL 65 108.617 2.398 14.342 470 HG11 VAL 65 HG11 VAL 65 107.380 3.259 16.281 471 HG12 VAL 65 HG12 VAL 65 106.591 3.769 14.788 472 HG13 VAL 65 HG13 VAL 65 107.583 4.910 15.696 473 HG21 VAL 65 HG21 VAL 65 109.512 3.832 12.650 474 HG22 VAL 65 HG22 VAL 65 109.126 5.282 13.576 475 HG23 VAL 65 HG23 VAL 65 107.832 4.329 12.853 476 H SER 66 HN SER 66 109.656 1.141 15.214 477 HA SER 66 HA SER 66 110.429 0.559 18.028 478 HB2 SER 66 HB2 SER 66 107.949 0.603 17.941 479 HB3 SER 66 HB1 SER 66 107.983 -0.571 16.628 480 HG SER 66 HG SER 66 109.404 -1.733 18.342 481 H ALA 67 HN ALA 67 111.813 -1.203 18.112 482 HA ALA 67 HA ALA 67 111.694 -3.366 16.199 483 HB1 ALA 67 HB1 ALA 67 114.065 -1.517 15.879 484 HB2 ALA 67 HB2 ALA 67 112.647 -1.433 14.838 485 HB3 ALA 67 HB3 ALA 67 113.629 -2.897 14.871 486 H PHE 68 HN PHE 68 113.985 -4.546 16.301 487 HA PHE 68 HA PHE 68 114.551 -4.894 19.185 488 HB2 PHE 68 HB2 PHE 68 115.705 -6.522 16.914 489 HB3 PHE 68 HB1 PHE 68 115.540 -6.988 18.606 490 HD1 PHE 68 HD1 PHE 68 113.512 -6.008 15.628 491 HD2 PHE 68 HD2 PHE 68 113.639 -8.175 19.324 492 HE1 PHE 68 HE1 PHE 68 111.277 -6.986 15.134 493 HE2 PHE 68 HE2 PHE 68 111.409 -9.147 18.830 494 HZ PHE 68 HZ PHE 68 110.232 -8.541 16.715 495 H ASN 69 HN ASN 69 116.405 -4.065 20.094 496 HA ASN 69 HA ASN 69 118.208 -2.469 18.486 497 HB2 ASN 69 HB2 ASN 69 118.300 -3.382 21.371 498 HB3 ASN 69 HB1 ASN 69 119.527 -2.337 20.654 499 HD21 ASN 69 HD21 ASN 69 117.849 -1.415 22.791 500 HD22 ASN 69 HD22 ASN 69 116.835 -0.197 22.182 501 H LEU 70 HN LEU 70 120.739 -2.957 19.221 502 HA LEU 70 HA LEU 70 121.494 -5.228 17.653 503 HB2 LEU 70 HB2 LEU 70 123.064 -3.577 19.657 504 HB3 LEU 70 HB1 LEU 70 123.788 -4.798 18.614 505 HG LEU 70 HG LEU 70 122.170 -2.459 17.567 506 HD11 LEU 70 HD11 LEU 70 125.185 -2.751 17.650 507 HD12 LEU 70 HD12 LEU 70 124.262 -1.750 18.772 508 HD13 LEU 70 HD13 LEU 70 124.271 -1.368 17.050 509 HD21 LEU 70 HD21 LEU 70 123.776 -4.695 16.359 510 HD22 LEU 70 HD22 LEU 70 123.683 -3.152 15.514 511 HD23 LEU 70 HD23 LEU 70 122.212 -4.054 15.864 512 H SER 71 HN SER 71 120.559 -4.902 20.950 513 HA SER 71 HA SER 71 121.869 -7.387 21.819 514 HB2 SER 71 HB2 SER 71 120.750 -6.973 23.949 515 HB3 SER 71 HB1 SER 71 121.480 -5.472 23.386 516 HG SER 71 HG SER 71 119.436 -4.868 22.587 517 H GLY 72 HN GLY 72 119.119 -6.551 20.074 518 HA2 GLY 72 HA2 GLY 72 117.534 -8.046 19.128 519 HA3 GLY 72 HA1 GLY 72 118.092 -9.295 20.243 520 H LYS 73 HN LYS 73 117.385 -6.209 21.612 521 HA LYS 73 HA LYS 73 114.925 -7.370 22.848 522 HB2 LYS 73 HB2 LYS 73 116.737 -5.104 23.739 523 HB3 LYS 73 HB1 LYS 73 115.260 -5.592 24.569 524 HG2 LYS 73 HG2 LYS 73 116.178 -7.840 24.936 525 HG3 LYS 73 HG1 LYS 73 117.638 -7.401 24.049 526 HD2 LYS 73 HD2 LYS 73 118.160 -7.173 26.381 527 HD3 LYS 73 HD1 LYS 73 117.982 -5.540 25.740 528 HE2 LYS 73 HE2 LYS 73 115.834 -5.274 26.714 529 HE3 LYS 73 HE1 LYS 73 115.661 -7.005 27.001 530 HZ1 LYS 73 HZ1 LYS 73 116.925 -6.912 28.848 531 HZ2 LYS 73 HZ2 LYS 73 116.411 -5.293 28.868 532 HZ3 LYS 73 HZ3 LYS 73 117.940 -5.695 28.245 533 H ASN 74 HN ASN 74 112.966 -6.273 22.648 534 HA ASN 74 HA ASN 74 112.736 -4.377 20.461 535 HB2 ASN 74 HB2 ASN 74 111.000 -6.131 21.275 536 HB3 ASN 74 HB1 ASN 74 110.550 -4.905 22.461 537 HD21 ASN 74 HD21 ASN 74 108.505 -4.338 21.508 538 HD22 ASN 74 HD22 ASN 74 108.380 -3.604 19.983 539 H GLU 75 HN GLU 75 113.011 -2.214 20.606 540 HA GLU 75 HA GLU 75 112.122 -0.758 23.001 541 HB2 GLU 75 HB2 GLU 75 114.432 -1.460 23.591 542 HB3 GLU 75 HB1 GLU 75 115.029 -0.687 22.122 543 HG2 GLU 75 HG2 GLU 75 115.348 0.837 23.990 544 HG3 GLU 75 HG1 GLU 75 114.086 1.487 22.946 545 H ASN 76 HN ASN 76 111.314 1.217 22.363 546 HA ASN 76 HA ASN 76 111.233 1.963 19.621 547 HB2 ASN 76 HB2 ASN 76 110.757 3.522 22.174 548 HB3 ASN 76 HB1 ASN 76 110.514 4.231 20.579 549 HD21 ASN 76 HD21 ASN 76 108.342 4.127 19.991 550 HD22 ASN 76 HD22 ASN 76 107.291 2.846 20.356 551 H LEU 77 HN LEU 77 112.414 3.523 18.442 552 HA LEU 77 HA LEU 77 115.095 4.145 19.604 553 HB2 LEU 77 HB2 LEU 77 114.680 2.988 17.284 554 HB3 LEU 77 HB1 LEU 77 114.330 4.626 16.739 555 HG LEU 77 HG LEU 77 116.587 5.245 17.888 556 HD11 LEU 77 HD11 LEU 77 117.032 3.174 19.050 557 HD12 LEU 77 HD12 LEU 77 118.201 3.291 17.739 558 HD13 LEU 77 HD13 LEU 77 116.802 2.237 17.576 559 HD21 LEU 77 HD21 LEU 77 117.756 4.848 15.815 560 HD22 LEU 77 HD22 LEU 77 116.073 5.168 15.402 561 HD23 LEU 77 HD23 LEU 77 116.683 3.513 15.403 562 H GLU 78 HN GLU 78 112.222 5.616 19.567 563 HA GLU 78 HA GLU 78 112.885 8.215 18.459 564 HB2 GLU 78 HB2 GLU 78 110.807 8.992 19.506 565 HB3 GLU 78 HB1 GLU 78 110.545 7.460 18.676 566 HG2 GLU 78 HG2 GLU 78 109.566 6.891 20.668 567 HG3 GLU 78 HG1 GLU 78 111.229 6.508 21.110 568 H ASN 79 HN ASN 79 112.969 6.824 21.720 569 HA ASN 79 HA ASN 79 113.538 9.224 23.134 570 HB2 ASN 79 HB2 ASN 79 114.410 6.369 23.676 571 HB3 ASN 79 HB1 ASN 79 114.617 7.696 24.819 572 HD21 ASN 79 HD21 ASN 79 112.799 5.201 24.879 573 HD22 ASN 79 HD22 ASN 79 111.256 5.832 25.200 574 H LYS 80 HN LYS 80 115.407 7.478 20.868 575 HA LYS 80 HA LYS 80 117.936 8.756 21.804 576 HB2 LYS 80 HB2 LYS 80 118.255 6.425 21.393 577 HB3 LYS 80 HB1 LYS 80 117.349 6.493 19.883 578 HG2 LYS 80 HG2 LYS 80 119.082 7.550 18.726 579 HG3 LYS 80 HG1 LYS 80 119.820 8.175 20.205 580 HD2 LYS 80 HD2 LYS 80 121.204 6.363 19.388 581 HD3 LYS 80 HD1 LYS 80 120.378 5.802 20.841 582 HE2 LYS 80 HE2 LYS 80 118.749 4.596 19.538 583 HE3 LYS 80 HE1 LYS 80 119.345 5.306 18.039 584 HZ1 LYS 80 HZ1 LYS 80 120.417 3.120 19.606 585 HZ2 LYS 80 HZ2 LYS 80 121.575 4.225 19.033 586 HZ3 LYS 80 HZ3 LYS 80 120.543 3.429 17.943 587 H LEU 81 HN LEU 81 115.696 8.575 19.082 588 HA LEU 81 HA LEU 81 117.026 10.990 17.931 589 HB2 LEU 81 HB2 LEU 81 117.590 8.919 16.629 590 HB3 LEU 81 HB1 LEU 81 115.869 8.683 16.337 591 HG LEU 81 HG LEU 81 115.781 10.938 15.267 592 HD11 LEU 81 HD11 LEU 81 118.236 11.681 14.562 593 HD12 LEU 81 HD12 LEU 81 118.669 10.867 16.063 594 HD13 LEU 81 HD13 LEU 81 117.534 12.218 16.085 595 HD21 LEU 81 HD21 LEU 81 116.161 8.819 13.966 596 HD22 LEU 81 HD22 LEU 81 117.890 9.131 14.066 597 HD23 LEU 81 HD23 LEU 81 116.846 10.249 13.193 598 H LYS 82 HN LYS 82 115.555 12.629 17.810 599 HA LYS 82 HA LYS 82 112.700 12.056 18.186 600 HB2 LYS 82 HB2 LYS 82 112.480 14.553 18.065 601 HB3 LYS 82 HB1 LYS 82 113.628 14.015 19.291 602 HG2 LYS 82 HG2 LYS 82 115.366 14.256 17.297 603 HG3 LYS 82 HG1 LYS 82 114.153 15.356 16.660 604 HD2 LYS 82 HD2 LYS 82 115.429 16.812 17.932 605 HD3 LYS 82 HD1 LYS 82 114.189 16.345 19.099 606 HE2 LYS 82 HE2 LYS 82 115.663 14.685 20.085 607 HE3 LYS 82 HE1 LYS 82 116.880 14.968 18.840 608 HZ1 LYS 82 HZ1 LYS 82 117.415 16.144 20.876 609 HZ2 LYS 82 HZ2 LYS 82 115.932 16.970 20.817 610 HZ3 LYS 82 HZ3 LYS 82 117.106 17.238 19.618 611 H LEU 83 HN LEU 83 112.346 10.850 16.193 612 HA LEU 83 HA LEU 83 112.787 12.122 13.613 613 HB2 LEU 83 HB2 LEU 83 111.224 9.670 14.452 614 HB3 LEU 83 HB1 LEU 83 111.385 10.186 12.777 615 HG LEU 83 HG LEU 83 113.740 9.630 14.603 616 HD11 LEU 83 HD11 LEU 83 112.525 7.555 14.248 617 HD12 LEU 83 HD12 LEU 83 113.970 7.543 13.235 618 HD13 LEU 83 HD13 LEU 83 112.396 7.885 12.519 619 HD21 LEU 83 HD21 LEU 83 114.600 10.960 12.904 620 HD22 LEU 83 HD22 LEU 83 113.381 10.446 11.738 621 HD23 LEU 83 HD23 LEU 83 114.724 9.379 12.138 622 H THR 84 HN THR 84 111.308 13.199 12.342 623 HA THR 84 HA THR 84 108.564 13.604 13.487 624 HB THR 84 HB THR 84 108.652 15.944 12.795 625 HG1 THR 84 HG1 THR 84 110.767 15.020 11.395 626 HG21 THR 84 HG21 THR 84 111.259 15.471 14.221 627 HG22 THR 84 HG22 THR 84 109.727 15.089 15.005 628 HG23 THR 84 HG23 THR 84 110.067 16.741 14.491 629 H ASN 85 HN ASN 85 106.938 14.127 11.843 630 HA ASN 85 HA ASN 85 105.876 13.655 9.796 631 HB2 ASN 85 HB2 ASN 85 108.629 14.478 8.837 632 HB3 ASN 85 HB1 ASN 85 107.261 14.210 7.760 633 HD21 ASN 85 HD21 ASN 85 108.546 16.795 8.082 634 HD22 ASN 85 HD22 ASN 85 107.409 17.848 8.775 635 H ILE 86 HN ILE 86 106.602 11.364 11.077 636 HA ILE 86 HA ILE 86 108.262 9.657 9.396 637 HB ILE 86 HB ILE 86 106.377 8.992 11.676 638 HG12 ILE 86 HG12 ILE 86 109.403 9.190 11.646 639 HG13 ILE 86 HG11 ILE 86 108.351 10.509 12.161 640 HG21 ILE 86 HG21 ILE 86 106.681 6.963 10.543 641 HG22 ILE 86 HG22 ILE 86 107.988 6.936 11.721 642 HG23 ILE 86 HG23 ILE 86 108.319 7.369 10.044 643 HD11 ILE 86 HD11 ILE 86 108.895 9.388 14.172 644 HD12 ILE 86 HD12 ILE 86 108.708 7.797 13.434 645 HD13 ILE 86 HD13 ILE 86 107.287 8.789 13.765 646 H ILE 87 HN ILE 87 107.591 8.381 7.734 647 HA ILE 87 HA ILE 87 104.639 8.215 7.194 648 HB ILE 87 HB ILE 87 106.793 7.894 5.104 649 HG12 ILE 87 HG12 ILE 87 107.172 10.079 6.199 650 HG13 ILE 87 HG11 ILE 87 106.540 10.288 4.566 651 HG21 ILE 87 HG21 ILE 87 104.904 8.749 3.660 652 HG22 ILE 87 HG22 ILE 87 103.863 8.654 5.080 653 HG23 ILE 87 HG23 ILE 87 104.593 7.189 4.423 654 HD11 ILE 87 HD11 ILE 87 105.357 11.792 6.069 655 HD12 ILE 87 HD12 ILE 87 104.956 10.459 7.145 656 HD13 ILE 87 HD13 ILE 87 104.246 10.535 5.534 657 H MET 88 HN MET 88 103.886 6.159 7.554 658 HA MET 88 HA MET 88 105.732 3.881 6.904 659 HB2 MET 88 HB2 MET 88 103.604 3.768 9.042 660 HB3 MET 88 HB1 MET 88 104.966 2.676 8.790 661 HG2 MET 88 HG2 MET 88 106.540 4.464 9.385 662 HG3 MET 88 HG1 MET 88 105.193 5.584 9.589 663 HE1 MET 88 HE1 MET 88 107.124 2.647 10.621 664 HE2 MET 88 HE2 MET 88 105.657 1.691 10.813 665 HE3 MET 88 HE3 MET 88 106.584 2.165 12.235 666 H ASP 89 HN ASP 89 104.938 3.012 5.050 667 HA ASP 89 HA ASP 89 101.964 2.663 4.821 668 HB2 ASP 89 HB2 ASP 89 104.069 2.825 2.643 669 HB3 ASP 89 HB1 ASP 89 102.349 2.557 2.373 670 H HIS 90 HN HIS 90 101.668 0.603 5.659 671 HA HIS 90 HA HIS 90 103.563 -1.541 5.293 672 HB2 HIS 90 HB2 HIS 90 100.678 -1.494 6.190 673 HB3 HIS 90 HB1 HIS 90 101.646 -2.968 6.137 674 HD1 HIS 90 HD1 HIS 90 100.872 -2.412 8.885 675 HD2 HIS 90 HD2 HIS 90 104.133 -0.428 7.200 676 HE1 HIS 90 HE1 HIS 90 102.287 -1.580 10.818 677 HE2 HIS 90 HE2 HIS 90 104.272 -0.372 9.802 678 H TYR 91 HN TYR 91 100.571 -0.629 3.603 679 HA TYR 91 HA TYR 91 100.350 -2.978 2.005 680 HB2 TYR 91 HB2 TYR 91 98.536 -1.345 2.103 681 HB3 TYR 91 HB1 TYR 91 99.562 -0.122 1.350 682 HD1 TYR 91 HD1 TYR 91 98.020 -3.476 0.795 683 HD2 TYR 91 HD2 TYR 91 99.795 -0.003 -1.003 684 HE1 TYR 91 HE1 TYR 91 97.376 -4.310 -1.451 685 HE2 TYR 91 HE2 TYR 91 99.150 -0.835 -3.249 686 HH TYR 91 HH TYR 91 98.419 -2.651 -4.394 687 H ASN 92 HN ASN 92 102.080 0.088 1.381 688 HA ASN 92 HA ASN 92 103.201 -1.020 -1.108 689 HB2 ASN 92 HB2 ASN 92 103.497 1.620 0.334 690 HB3 ASN 92 HB1 ASN 92 104.484 1.208 -1.070 691 HD21 ASN 92 HD21 ASN 92 102.597 3.374 -1.150 692 HD22 ASN 92 HD22 ASN 92 101.354 2.955 -2.226 693 H ASN 93 HN ASN 93 103.886 -1.262 2.153 694 HA ASN 93 HA ASN 93 105.765 -1.990 3.340 695 HB2 ASN 93 HB2 ASN 93 106.356 -3.054 0.569 696 HB3 ASN 93 HB1 ASN 93 107.328 -3.455 1.984 697 HD21 ASN 93 HD21 ASN 93 105.829 -5.456 0.544 698 HD22 ASN 93 HD22 ASN 93 104.602 -6.029 1.567 699 H THR 94 HN THR 94 105.965 0.698 2.711 700 HA THR 94 HA THR 94 108.893 0.954 2.182 701 HB THR 94 HB THR 94 107.852 1.716 0.150 702 HG1 THR 94 HG1 THR 94 109.467 3.081 1.059 703 HG21 THR 94 HG21 THR 94 106.102 3.508 1.849 704 HG22 THR 94 HG22 THR 94 105.576 1.964 1.184 705 HG23 THR 94 HG23 THR 94 106.017 3.282 0.101 706 H PHE 95 HN PHE 95 109.943 2.356 3.568 707 HA PHE 95 HA PHE 95 108.226 3.893 5.497 708 HB2 PHE 95 HB2 PHE 95 110.748 2.312 6.093 709 HB3 PHE 95 HB1 PHE 95 109.900 3.338 7.251 710 HD1 PHE 95 HD1 PHE 95 109.682 0.252 5.219 711 HD2 PHE 95 HD2 PHE 95 107.811 2.651 8.251 712 HE1 PHE 95 HE1 PHE 95 108.138 -1.618 5.746 713 HE2 PHE 95 HE2 PHE 95 106.268 0.783 8.778 714 HZ PHE 95 HZ PHE 95 106.432 -1.352 7.525 715 H TYR 96 HN TYR 96 108.928 5.976 5.953 716 HA TYR 96 HA TYR 96 111.604 6.807 4.911 717 HB2 TYR 96 HB2 TYR 96 109.038 8.388 4.538 718 HB3 TYR 96 HB1 TYR 96 110.643 8.848 3.980 719 HD1 TYR 96 HD2 TYR 96 111.705 7.702 2.084 720 HD2 TYR 96 HD1 TYR 96 107.761 6.646 3.421 721 HE1 TYR 96 HE2 TYR 96 111.317 6.470 -0.033 722 HE2 TYR 96 HE1 TYR 96 107.371 5.419 1.303 723 HH TYR 96 HH TYR 96 108.945 4.260 -0.467 724 H SER 97 HN SER 97 112.572 8.482 6.145 725 HA SER 97 HA SER 97 111.020 9.712 8.337 726 HB2 SER 97 HB2 SER 97 113.499 8.042 8.852 727 HB3 SER 97 HB1 SER 97 112.683 9.043 10.048 728 HG SER 97 HG SER 97 112.162 6.610 9.663 729 H ARG 98 HN ARG 98 112.066 11.633 9.162 730 HA ARG 98 HA ARG 98 114.160 12.671 7.306 731 HB2 ARG 98 HB2 ARG 98 112.337 14.117 9.258 732 HB3 ARG 98 HB1 ARG 98 113.514 14.900 8.205 733 HG2 ARG 98 HG2 ARG 98 112.353 13.993 6.226 734 HG3 ARG 98 HG1 ARG 98 111.171 13.211 7.275 735 HD2 ARG 98 HD2 ARG 98 110.579 15.452 8.194 736 HD3 ARG 98 HD1 ARG 98 111.674 16.199 7.040 737 HE ARG 98 HE ARG 98 108.970 15.278 6.549 738 HH11 ARG 98 HH21 ARG 98 112.108 15.373 5.125 739 HH12 ARG 98 HH22 ARG 98 111.524 15.078 3.521 740 HH21 ARG 98 HH11 ARG 98 108.199 14.887 4.478 741 HH22 ARG 98 HH12 ARG 98 109.315 14.800 3.155 742 H LEU 99 HN LEU 99 116.191 13.072 8.048 743 HA LEU 99 HA LEU 99 116.814 12.388 10.843 744 HB2 LEU 99 HB2 LEU 99 118.564 13.041 8.469 745 HB3 LEU 99 HB1 LEU 99 119.192 12.654 10.067 746 HG LEU 99 HG LEU 99 117.426 10.841 8.399 747 HD11 LEU 99 HD11 LEU 99 119.516 10.748 7.347 748 HD12 LEU 99 HD12 LEU 99 119.658 9.463 8.548 749 HD13 LEU 99 HD13 LEU 99 120.393 11.036 8.850 750 HD21 LEU 99 HD21 LEU 99 118.537 10.721 11.183 751 HD22 LEU 99 HD22 LEU 99 118.436 9.222 10.260 752 HD23 LEU 99 HD23 LEU 99 116.979 10.159 10.576 753 HA PRO 100 HA PRO 100 116.823 16.622 12.315 754 HB2 PRO 100 HB2 PRO 100 119.356 15.767 13.670 755 HB3 PRO 100 HB1 PRO 100 117.942 16.600 14.347 756 HG2 PRO 100 HG2 PRO 100 118.391 13.996 14.760 757 HG3 PRO 100 HG1 PRO 100 116.757 14.661 14.605 758 HD2 PRO 100 HD2 PRO 100 118.268 12.973 12.697 759 HD3 PRO 100 HD1 PRO 100 116.516 13.200 12.877 760 H SER 101 HN SER 101 118.289 18.556 12.180 761 HA SER 101 HA SER 101 119.812 18.510 9.717 762 HB2 SER 101 HB2 SER 101 120.239 20.874 10.182 763 HB3 SER 101 HB1 SER 101 118.543 20.499 10.465 764 HG SER 101 HG SER 101 119.243 20.151 12.722 765 H LEU 102 HN LEU 102 120.572 17.741 12.934 766 HA LEU 102 HA LEU 102 123.487 17.836 12.272 767 HB2 LEU 102 HB2 LEU 102 122.988 19.783 13.679 768 HB3 LEU 102 HB1 LEU 102 122.223 18.740 14.875 769 HG LEU 102 HG LEU 102 124.348 17.587 15.269 770 HD11 LEU 102 HD11 LEU 102 125.204 19.293 12.952 771 HD12 LEU 102 HD12 LEU 102 125.534 17.589 13.261 772 HD13 LEU 102 HD13 LEU 102 126.396 18.832 14.168 773 HD21 LEU 102 HD21 LEU 102 124.512 20.614 15.341 774 HD22 LEU 102 HD22 LEU 102 125.639 19.549 16.180 775 HD23 LEU 102 HD23 LEU 102 123.933 19.555 16.627 776 H ILE 103 HN ILE 103 124.502 15.936 12.719 777 HA ILE 103 HA ILE 103 123.457 14.185 14.864 778 HB ILE 103 HB ILE 103 123.814 13.292 11.987 779 HG12 ILE 103 HG12 ILE 103 121.399 13.140 13.817 780 HG13 ILE 103 HG11 ILE 103 121.636 14.400 12.611 781 HG21 ILE 103 HG21 ILE 103 122.932 11.082 13.124 782 HG22 ILE 103 HG22 ILE 103 123.623 11.791 14.582 783 HG23 ILE 103 HG23 ILE 103 124.651 11.472 13.186 784 HD11 ILE 103 HD11 ILE 103 120.272 12.208 12.022 785 HD12 ILE 103 HD12 ILE 103 121.876 11.554 11.728 786 HD13 ILE 103 HD13 ILE 103 121.322 12.965 10.831 787 H SER 104 HN SER 104 125.348 14.291 16.067 788 HA SER 104 HA SER 104 127.940 13.926 14.662 789 HB2 SER 104 HB2 SER 104 127.529 14.457 17.608 790 HB3 SER 104 HB1 SER 104 128.979 14.738 16.650 791 HG SER 104 HG SER 104 126.549 16.155 16.715 792 H ASP 105 HN ASP 105 125.621 12.034 16.177 793 HA ASP 105 HA ASP 105 127.480 10.161 17.456 794 HB2 ASP 105 HB2 ASP 105 124.500 10.208 17.017 795 HB3 ASP 105 HB1 ASP 105 125.315 8.772 17.647 796 H ASN 106 HN ASN 106 127.743 7.954 16.754 797 HA ASN 106 HA ASN 106 127.510 7.651 13.790 798 HB2 ASN 106 HB2 ASN 106 129.330 6.339 15.825 799 HB3 ASN 106 HB1 ASN 106 129.224 5.815 14.145 800 HD21 ASN 106 HD21 ASN 106 131.667 6.845 15.189 801 HD22 ASN 106 HD22 ASN 106 131.987 8.338 14.447 802 H TRP 107 HN TRP 107 125.290 7.168 15.641 803 HA TRP 107 HA TRP 107 125.013 4.388 16.229 804 HB2 TRP 107 HB2 TRP 107 122.600 4.879 16.463 805 HB3 TRP 107 HB1 TRP 107 123.588 6.085 17.286 806 HD1 TRP 107 HD1 TRP 107 124.054 8.391 15.799 807 HE1 TRP 107 HE1 TRP 107 122.449 9.670 14.279 808 HE3 TRP 107 HE3 TRP 107 120.626 4.724 14.925 809 HZ2 TRP 107 HZ2 TRP 107 119.995 9.198 12.859 810 HZ3 TRP 107 HZ3 TRP 107 118.657 5.172 13.491 811 HH2 TRP 107 HH2 TRP 107 118.338 7.396 12.459 812 H LYS 108 HN LYS 108 123.744 2.793 15.160 813 HA LYS 108 HA LYS 108 123.211 3.293 12.264 814 HB2 LYS 108 HB2 LYS 108 124.160 0.578 13.026 815 HB3 LYS 108 HB1 LYS 108 124.506 1.530 11.582 816 HG2 LYS 108 HG2 LYS 108 126.010 2.980 12.938 817 HG3 LYS 108 HG1 LYS 108 125.705 1.952 14.334 818 HD2 LYS 108 HD2 LYS 108 126.579 0.001 13.056 819 HD3 LYS 108 HD1 LYS 108 126.971 1.084 11.720 820 HE2 LYS 108 HE2 LYS 108 128.077 1.291 14.537 821 HE3 LYS 108 HE1 LYS 108 128.953 0.684 13.131 822 HZ1 LYS 108 HZ1 LYS 108 129.553 2.936 13.389 823 HZ2 LYS 108 HZ2 LYS 108 127.940 3.431 13.588 824 HZ3 LYS 108 HZ3 LYS 108 128.483 2.888 12.073 825 H PHE 109 HN PHE 109 121.510 1.890 11.387 826 HA PHE 109 HA PHE 109 120.075 0.161 13.299 827 HB2 PHE 109 HB2 PHE 109 118.005 1.350 13.268 828 HB3 PHE 109 HB1 PHE 109 119.233 2.551 13.646 829 HD1 PHE 109 HD2 PHE 109 119.982 4.175 11.932 830 HD2 PHE 109 HD1 PHE 109 116.816 1.375 11.168 831 HE1 PHE 109 HE2 PHE 109 119.282 5.503 9.959 832 HE2 PHE 109 HE1 PHE 109 116.115 2.701 9.196 833 HZ PHE 109 HZ PHE 109 117.351 4.765 8.589 834 H PHE 110 HN PHE 110 118.369 -1.120 12.133 835 HA PHE 110 HA PHE 110 118.461 -0.900 9.191 836 HB2 PHE 110 HB2 PHE 110 119.016 -3.424 9.111 837 HB3 PHE 110 HB1 PHE 110 120.338 -2.306 9.438 838 HD1 PHE 110 HD2 PHE 110 121.003 -1.871 11.860 839 HD2 PHE 110 HD1 PHE 110 118.404 -5.086 10.690 840 HE1 PHE 110 HE2 PHE 110 121.441 -3.010 14.015 841 HE2 PHE 110 HE1 PHE 110 118.845 -6.226 12.850 842 HZ PHE 110 HZ PHE 110 120.364 -5.191 14.509 843 H CYS 111 HN CYS 111 116.922 -2.284 8.114 844 HA CYS 111 HA CYS 111 114.704 -3.265 9.869 845 HB2 CYS 111 HB2 CYS 111 114.563 -1.763 7.235 846 HB3 CYS 111 HB1 CYS 111 113.182 -2.603 7.940 847 H VAL 112 HN VAL 112 113.552 -5.152 8.937 848 HA VAL 112 HA VAL 112 115.149 -6.529 6.797 849 HB VAL 112 HB VAL 112 114.163 -7.629 9.423 850 HG11 VAL 112 HG11 VAL 112 113.536 -9.334 7.925 851 HG12 VAL 112 HG12 VAL 112 115.161 -9.809 8.418 852 HG13 VAL 112 HG13 VAL 112 114.906 -9.026 6.858 853 HG21 VAL 112 HG21 VAL 112 116.866 -7.645 8.048 854 HG22 VAL 112 HG22 VAL 112 116.522 -8.278 9.655 855 HG23 VAL 112 HG23 VAL 112 116.404 -6.546 9.345 856 H CYS 113 HN CYS 113 114.051 -7.708 5.327 857 HA CYS 113 HA CYS 113 111.067 -7.837 5.539 858 HB2 CYS 113 HB2 CYS 113 112.778 -7.486 3.053 859 HB3 CYS 113 HB1 CYS 113 111.033 -7.708 3.048 860 H SER 114 HN SER 114 110.297 -9.997 5.375 861 HA SER 114 HA SER 114 111.759 -11.982 3.846 862 HB2 SER 114 HB2 SER 114 112.550 -13.348 5.694 863 HB3 SER 114 HB1 SER 114 113.232 -11.729 5.832 864 HG SER 114 HG SER 114 111.845 -11.278 7.457 865 H LYS 115 HN LYS 115 110.922 -14.224 4.336 866 HA LYS 115 HA LYS 115 108.255 -14.382 5.569 867 HB2 LYS 115 HB2 LYS 115 108.768 -14.740 2.629 868 HB3 LYS 115 HB1 LYS 115 107.513 -15.689 3.419 869 HG2 LYS 115 HG2 LYS 115 106.531 -13.537 4.280 870 HG3 LYS 115 HG1 LYS 115 107.707 -12.666 3.293 871 HD2 LYS 115 HD2 LYS 115 106.812 -13.605 1.263 872 HD3 LYS 115 HD1 LYS 115 105.788 -14.721 2.162 873 HE2 LYS 115 HE2 LYS 115 105.539 -11.700 2.232 874 HE3 LYS 115 HE1 LYS 115 104.488 -12.781 1.326 875 HZ1 LYS 115 HZ1 LYS 115 104.229 -12.007 3.966 876 HZ2 LYS 115 HZ2 LYS 115 104.716 -13.635 4.017 877 HZ3 LYS 115 HZ3 LYS 115 103.326 -13.188 3.150 878 H ASP 116 HN ASP 116 107.577 -16.767 5.640 879 HA ASP 116 HA ASP 116 109.701 -18.373 6.632 880 HB2 ASP 116 HB2 ASP 116 108.107 -20.241 6.531 881 HB3 ASP 116 HB1 ASP 116 107.306 -18.790 7.134 882 H ASN 117 HN ASN 117 110.814 -20.168 5.662 883 HA ASN 117 HA ASN 117 112.126 -21.002 3.873 884 HB2 ASN 117 HB2 ASN 117 109.840 -22.192 3.788 885 HB3 ASN 117 HB1 ASN 117 109.482 -21.134 2.423 886 HD21 ASN 117 HD21 ASN 117 109.553 -22.819 0.807 887 HD22 ASN 117 HD22 ASN 117 110.990 -23.627 0.403 888 H GLU 118 HN GLU 118 112.687 -18.451 3.706 889 HA GLU 118 HA GLU 118 112.747 -17.886 0.845 890 HB2 GLU 118 HB2 GLU 118 111.056 -16.236 2.718 891 HB3 GLU 118 HB1 GLU 118 111.759 -15.522 1.268 892 HG2 GLU 118 HG2 GLU 118 110.684 -17.531 0.017 893 HG3 GLU 118 HG1 GLU 118 109.724 -17.737 1.477 894 H LYS 119 HN LYS 119 114.486 -16.532 0.335 895 HA LYS 119 HA LYS 119 116.578 -16.165 2.190 896 HB2 LYS 119 HB2 LYS 119 115.935 -14.543 -0.302 897 HB3 LYS 119 HB1 LYS 119 117.482 -14.521 0.543 898 HG2 LYS 119 HG2 LYS 119 117.808 -16.897 0.105 899 HG3 LYS 119 HG1 LYS 119 116.215 -17.007 -0.643 900 HD2 LYS 119 HD2 LYS 119 116.920 -15.401 -2.383 901 HD3 LYS 119 HD1 LYS 119 118.518 -15.305 -1.645 902 HE2 LYS 119 HE2 LYS 119 118.873 -17.699 -2.049 903 HE3 LYS 119 HE1 LYS 119 117.253 -17.840 -2.731 904 HZ1 LYS 119 HZ1 LYS 119 117.836 -16.501 -4.547 905 HZ2 LYS 119 HZ2 LYS 119 119.145 -17.566 -4.356 906 HZ3 LYS 119 HZ3 LYS 119 119.266 -15.960 -3.814 907 H LYS 120 HN LYS 120 117.217 -14.353 3.457 908 HA LYS 120 HA LYS 120 114.993 -12.487 4.102 909 HB2 LYS 120 HB2 LYS 120 116.610 -11.942 6.076 910 HB3 LYS 120 HB1 LYS 120 115.720 -13.465 6.093 911 HG2 LYS 120 HG2 LYS 120 117.699 -14.600 5.092 912 HG3 LYS 120 HG1 LYS 120 118.577 -13.072 5.163 913 HD2 LYS 120 HD2 LYS 120 118.491 -13.031 7.553 914 HD3 LYS 120 HD1 LYS 120 117.337 -14.364 7.597 915 HE2 LYS 120 HE2 LYS 120 118.947 -15.957 7.065 916 HE3 LYS 120 HE1 LYS 120 119.998 -14.788 6.278 917 HZ1 LYS 120 HZ1 LYS 120 120.472 -13.819 8.449 918 HZ2 LYS 120 HZ2 LYS 120 120.892 -15.466 8.412 919 HZ3 LYS 120 HZ3 LYS 120 119.470 -14.966 9.196 920 H LEU 121 HN LEU 121 115.197 -10.282 3.922 921 HA LEU 121 HA LEU 121 117.673 -9.291 2.548 922 HB2 LEU 121 HB2 LEU 121 114.901 -8.062 2.515 923 HB3 LEU 121 HB1 LEU 121 116.283 -7.575 1.537 924 HG LEU 121 HG LEU 121 114.950 -10.298 1.417 925 HD11 LEU 121 HD11 LEU 121 113.530 -8.460 0.527 926 HD12 LEU 121 HD12 LEU 121 114.075 -9.549 -0.748 927 HD13 LEU 121 HD13 LEU 121 114.850 -7.979 -0.539 928 HD21 LEU 121 HD21 LEU 121 117.265 -9.006 -0.025 929 HD22 LEU 121 HD22 LEU 121 116.345 -10.310 -0.775 930 HD23 LEU 121 HD23 LEU 121 117.196 -10.592 0.743 931 H VAL 122 HN VAL 122 118.925 -7.918 3.780 932 HA VAL 122 HA VAL 122 117.624 -6.631 6.147 933 HB VAL 122 HB VAL 122 120.483 -7.449 5.599 934 HG11 VAL 122 HG11 VAL 122 120.762 -5.358 6.660 935 HG12 VAL 122 HG12 VAL 122 120.787 -6.503 8.002 936 HG13 VAL 122 HG13 VAL 122 119.326 -5.574 7.660 937 HG21 VAL 122 HG21 VAL 122 118.415 -8.878 6.684 938 HG22 VAL 122 HG22 VAL 122 119.078 -8.116 8.131 939 HG23 VAL 122 HG23 VAL 122 120.107 -9.120 7.115 940 H PHE 123 HN PHE 123 117.500 -4.465 6.218 941 HA PHE 123 HA PHE 123 118.971 -2.874 4.149 942 HB2 PHE 123 HB2 PHE 123 116.598 -2.592 3.877 943 HB3 PHE 123 HB1 PHE 123 116.354 -2.423 5.614 944 HD1 PHE 123 HD1 PHE 123 118.265 -0.831 2.815 945 HD2 PHE 123 HD2 PHE 123 116.167 -0.283 6.514 946 HE1 PHE 123 HE1 PHE 123 118.549 1.616 2.606 947 HE2 PHE 123 HE2 PHE 123 116.445 2.173 6.310 948 HZ PHE 123 HZ PHE 123 117.634 3.129 4.354 949 H THR 124 HN THR 124 120.669 -1.685 5.013 950 HA THR 124 HA THR 124 120.366 -0.729 7.833 951 HB THR 124 HB THR 124 121.740 -2.867 7.659 952 HG1 THR 124 HG1 THR 124 122.054 -0.692 9.061 953 HG21 THR 124 HG21 THR 124 122.867 -2.049 5.509 954 HG22 THR 124 HG22 THR 124 123.924 -2.764 6.722 955 HG23 THR 124 HG23 THR 124 123.845 -1.013 6.546 956 H VAL 125 HN VAL 125 121.245 1.220 8.308 957 HA VAL 125 HA VAL 125 122.920 2.576 6.257 958 HB VAL 125 HB VAL 125 121.608 4.567 6.300 959 HG11 VAL 125 HG11 VAL 125 119.384 2.556 6.404 960 HG12 VAL 125 HG12 VAL 125 120.635 2.374 5.176 961 HG13 VAL 125 HG13 VAL 125 119.671 3.848 5.239 962 HG21 VAL 125 HG21 VAL 125 120.205 3.264 8.644 963 HG22 VAL 125 HG22 VAL 125 119.563 4.684 7.819 964 HG23 VAL 125 HG23 VAL 125 121.122 4.771 8.640 965 H GLU 126 HN GLU 126 124.173 4.391 7.252 966 HA GLU 126 HA GLU 126 124.444 4.047 10.227 967 HB2 GLU 126 HB2 GLU 126 126.345 3.029 9.047 968 HB3 GLU 126 HB1 GLU 126 126.634 4.540 8.184 969 HG2 GLU 126 HG2 GLU 126 127.077 5.693 10.303 970 HG3 GLU 126 HG1 GLU 126 126.727 4.218 11.196 971 H ALA 127 HN ALA 127 124.699 5.908 11.438 972 HA ALA 127 HA ALA 127 124.945 8.497 9.990 973 HB1 ALA 127 HB1 ALA 127 122.680 7.638 11.782 974 HB2 ALA 127 HB2 ALA 127 122.605 8.462 10.224 975 HB3 ALA 127 HB3 ALA 127 123.127 9.340 11.661 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 114.625 14.295 -6.650 2 H2 GLU 1 HT2 GLU 1 115.636 15.643 -6.862 3 H3 GLU 1 HT3 GLU 1 114.507 15.616 -5.593 4 HA GLU 1 HA GLU 1 117.123 14.357 -5.789 5 HB2 GLU 1 HB2 GLU 1 116.620 16.276 -4.288 6 HB3 GLU 1 HB1 GLU 1 115.409 15.294 -3.465 7 HG2 GLU 1 HG2 GLU 1 117.440 15.177 -2.167 8 HG3 GLU 1 HG1 GLU 1 117.234 13.618 -2.959 9 H LYS 2 HN LYS 2 117.447 12.207 -5.434 10 HA LYS 2 HA LYS 2 115.124 10.494 -4.890 11 HB2 LYS 2 HB2 LYS 2 118.044 9.883 -5.429 12 HB3 LYS 2 HB1 LYS 2 116.822 8.642 -5.143 13 HG2 LYS 2 HG2 LYS 2 115.514 9.480 -7.061 14 HG3 LYS 2 HG1 LYS 2 116.732 10.722 -7.350 15 HD2 LYS 2 HD2 LYS 2 118.423 9.014 -7.787 16 HD3 LYS 2 HD1 LYS 2 117.270 7.738 -7.400 17 HE2 LYS 2 HE2 LYS 2 117.406 7.984 -9.825 18 HE3 LYS 2 HE1 LYS 2 115.822 8.529 -9.273 19 HZ1 LYS 2 HZ1 LYS 2 118.062 10.428 -9.561 20 HZ2 LYS 2 HZ2 LYS 2 116.391 10.741 -9.552 21 HZ3 LYS 2 HZ3 LYS 2 117.112 9.999 -10.899 22 H VAL 3 HN VAL 3 114.998 9.067 -3.062 23 HA VAL 3 HA VAL 3 116.168 10.215 -0.622 24 HB VAL 3 HB VAL 3 114.233 7.930 -1.080 25 HG11 VAL 3 HG11 VAL 3 115.451 7.521 0.981 26 HG12 VAL 3 HG12 VAL 3 113.852 8.129 1.394 27 HG13 VAL 3 HG13 VAL 3 115.247 9.198 1.481 28 HG21 VAL 3 HG21 VAL 3 113.145 9.975 -1.591 29 HG22 VAL 3 HG22 VAL 3 113.959 10.831 -0.282 30 HG23 VAL 3 HG23 VAL 3 112.701 9.650 0.084 31 H LYS 4 HN LYS 4 117.816 9.290 0.558 32 HA LYS 4 HA LYS 4 119.380 7.173 -0.662 33 HB2 LYS 4 HB2 LYS 4 119.547 8.290 2.158 34 HB3 LYS 4 HB1 LYS 4 120.778 7.319 1.354 35 HG2 LYS 4 HG2 LYS 4 119.806 10.013 0.365 36 HG3 LYS 4 HG1 LYS 4 121.289 9.760 1.284 37 HD2 LYS 4 HD2 LYS 4 121.913 8.053 -0.550 38 HD3 LYS 4 HD1 LYS 4 120.631 8.806 -1.500 39 HE2 LYS 4 HE2 LYS 4 121.699 10.991 -1.282 40 HE3 LYS 4 HE1 LYS 4 122.964 10.290 -0.271 41 HZ1 LYS 4 HZ1 LYS 4 122.508 9.025 -2.853 42 HZ2 LYS 4 HZ2 LYS 4 123.963 9.318 -2.025 43 HZ3 LYS 4 HZ3 LYS 4 123.206 10.571 -2.888 44 H GLY 5 HN GLY 5 119.151 5.007 -0.388 45 HA2 GLY 5 HA2 GLY 5 118.465 3.650 1.937 46 HA3 GLY 5 HA1 GLY 5 116.928 3.995 1.152 47 H CYS 6 HN CYS 6 116.801 1.583 0.993 48 HA CYS 6 HA CYS 6 118.253 0.636 -1.456 49 HB2 CYS 6 HB2 CYS 6 118.941 -0.329 0.881 50 HB3 CYS 6 HB1 CYS 6 117.447 -1.243 0.744 51 H ASP 7 HN ASP 7 116.951 -0.276 -2.979 52 HA ASP 7 HA ASP 7 114.076 -0.724 -2.253 53 HB2 ASP 7 HB2 ASP 7 114.645 1.132 -3.920 54 HB3 ASP 7 HB1 ASP 7 115.121 -0.157 -5.024 55 H PHE 8 HN PHE 8 113.822 -2.904 -1.994 56 HA PHE 8 HA PHE 8 115.406 -4.777 -3.642 57 HB2 PHE 8 HB2 PHE 8 113.327 -5.289 -1.490 58 HB3 PHE 8 HB1 PHE 8 114.333 -6.521 -2.251 59 HD1 PHE 8 HD2 PHE 8 116.874 -6.318 -2.031 60 HD2 PHE 8 HD1 PHE 8 114.125 -4.013 0.331 61 HE1 PHE 8 HE2 PHE 8 118.674 -5.848 -0.393 62 HE2 PHE 8 HE1 PHE 8 115.926 -3.545 1.970 63 HZ PHE 8 HZ PHE 8 118.202 -4.463 1.608 64 H THR 9 HN THR 9 112.727 -2.999 -4.175 65 HA THR 9 HA THR 9 111.156 -5.153 -5.472 66 HB THR 9 HB THR 9 110.522 -2.204 -5.165 67 HG1 THR 9 HG1 THR 9 109.919 -4.479 -3.600 68 HG21 THR 9 HG21 THR 9 108.169 -3.107 -5.518 69 HG22 THR 9 HG22 THR 9 108.922 -4.618 -6.028 70 HG23 THR 9 HG23 THR 9 109.217 -3.136 -6.937 71 H THR 10 HN THR 10 113.354 -2.575 -6.291 72 HA THR 10 HA THR 10 113.163 -3.364 -9.118 73 HB THR 10 HB THR 10 112.692 -0.468 -8.376 74 HG1 THR 10 HG1 THR 10 110.884 -1.544 -7.745 75 HG21 THR 10 HG21 THR 10 111.915 -0.410 -10.776 76 HG22 THR 10 HG22 THR 10 112.527 -2.056 -10.949 77 HG23 THR 10 HG23 THR 10 113.637 -0.737 -10.578 78 H SER 11 HN SER 11 115.223 -3.375 -9.923 79 HA SER 11 HA SER 11 117.459 -2.493 -8.424 80 HB2 SER 11 HB2 SER 11 117.320 -4.101 -10.474 81 HB3 SER 11 HB1 SER 11 117.498 -2.639 -11.432 82 HG SER 11 HG SER 11 119.263 -2.585 -9.438 83 H GLU 12 HN GLU 12 115.426 -0.863 -10.770 84 HA GLU 12 HA GLU 12 117.094 1.606 -10.456 85 HB2 GLU 12 HB2 GLU 12 115.182 0.760 -12.655 86 HB3 GLU 12 HB1 GLU 12 115.931 2.353 -12.556 87 HG2 GLU 12 HG2 GLU 12 118.161 1.343 -12.679 88 HG3 GLU 12 HG1 GLU 12 117.446 -0.270 -12.701 89 H SER 13 HN SER 13 115.854 1.747 -8.327 90 HA SER 13 HA SER 13 113.019 2.161 -8.319 91 HB2 SER 13 HB2 SER 13 114.291 1.633 -6.274 92 HB3 SER 13 HB1 SER 13 115.125 3.180 -6.389 93 HG SER 13 HG SER 13 112.673 2.603 -5.400 94 H THR 14 HN THR 14 111.825 4.096 -8.259 95 HA THR 14 HA THR 14 113.184 6.410 -9.553 96 HB THR 14 HB THR 14 111.021 5.401 -10.487 97 HG1 THR 14 HG1 THR 14 110.952 8.114 -9.665 98 HG21 THR 14 HG21 THR 14 110.136 5.326 -7.982 99 HG22 THR 14 HG22 THR 14 109.026 5.584 -9.328 100 HG23 THR 14 HG23 THR 14 109.588 6.956 -8.375 101 H ILE 15 HN ILE 15 112.567 5.323 -6.527 102 HA ILE 15 HA ILE 15 112.216 8.095 -5.449 103 HB ILE 15 HB ILE 15 111.189 6.870 -3.433 104 HG12 ILE 15 HG12 ILE 15 110.618 4.741 -5.499 105 HG13 ILE 15 HG11 ILE 15 111.994 4.612 -4.404 106 HG21 ILE 15 HG21 ILE 15 109.867 8.244 -4.977 107 HG22 ILE 15 HG22 ILE 15 108.963 6.796 -4.534 108 HG23 ILE 15 HG23 ILE 15 109.756 6.895 -6.105 109 HD11 ILE 15 HD11 ILE 15 110.441 4.869 -2.475 110 HD12 ILE 15 HD12 ILE 15 110.076 3.440 -3.441 111 HD13 ILE 15 HD13 ILE 15 109.083 4.889 -3.600 112 H PHE 16 HN PHE 16 114.043 5.138 -5.406 113 HA PHE 16 HA PHE 16 115.694 6.250 -3.158 114 HB2 PHE 16 HB2 PHE 16 115.072 3.388 -3.907 115 HB3 PHE 16 HB1 PHE 16 116.408 3.821 -2.841 116 HD1 PHE 16 HD2 PHE 16 115.821 5.410 -0.837 117 HD2 PHE 16 HD1 PHE 16 112.934 3.079 -3.002 118 HE1 PHE 16 HE2 PHE 16 114.243 5.592 1.067 119 HE2 PHE 16 HE1 PHE 16 111.360 3.269 -1.098 120 HZ PHE 16 HZ PHE 16 112.013 4.518 0.939 121 H SER 17 HN SER 17 117.844 6.500 -3.519 122 HA SER 17 HA SER 17 118.838 6.541 -6.205 123 HB2 SER 17 HB2 SER 17 119.722 7.984 -4.400 124 HB3 SER 17 HB1 SER 17 120.394 6.563 -3.607 125 HG SER 17 HG SER 17 121.332 7.996 -5.718 126 H LYS 18 HN LYS 18 118.624 3.946 -3.929 127 HA LYS 18 HA LYS 18 120.370 2.309 -5.736 128 HB2 LYS 18 HB2 LYS 18 120.312 2.221 -2.706 129 HB3 LYS 18 HB1 LYS 18 121.203 1.106 -3.739 130 HG2 LYS 18 HG2 LYS 18 121.602 4.104 -3.825 131 HG3 LYS 18 HG1 LYS 18 122.574 3.035 -2.814 132 HD2 LYS 18 HD2 LYS 18 122.972 1.701 -5.022 133 HD3 LYS 18 HD1 LYS 18 122.439 3.178 -5.820 134 HE2 LYS 18 HE2 LYS 18 124.729 3.539 -5.683 135 HE3 LYS 18 HE1 LYS 18 124.165 4.335 -4.215 136 HZ1 LYS 18 HZ1 LYS 18 124.868 2.590 -2.896 137 HZ2 LYS 18 HZ2 LYS 18 126.104 2.679 -4.059 138 HZ3 LYS 18 HZ3 LYS 18 124.904 1.482 -4.180 139 H GLY 19 HN GLY 19 119.677 0.223 -6.123 140 HA2 GLY 19 HA2 GLY 19 117.477 -0.944 -4.577 141 HA3 GLY 19 HA1 GLY 19 117.024 -0.460 -6.213 142 H TYR 20 HN TYR 20 116.822 -3.105 -5.680 143 HA TYR 20 HA TYR 20 119.153 -4.273 -7.150 144 HB2 TYR 20 HB2 TYR 20 117.692 -5.358 -4.738 145 HB3 TYR 20 HB1 TYR 20 118.638 -6.394 -5.807 146 HD1 TYR 20 HD1 TYR 20 118.860 -3.306 -3.714 147 HD2 TYR 20 HD2 TYR 20 120.978 -6.543 -5.579 148 HE1 TYR 20 HE1 TYR 20 120.936 -2.627 -2.544 149 HE2 TYR 20 HE2 TYR 20 123.052 -5.863 -4.405 150 HH TYR 20 HH TYR 20 123.440 -4.451 -2.033 151 H SER 21 HN SER 21 118.535 -6.346 -8.250 152 HA SER 21 HA SER 21 115.822 -6.055 -9.433 153 HB2 SER 21 HB2 SER 21 117.462 -6.253 -11.134 154 HB3 SER 21 HB1 SER 21 118.331 -7.511 -10.266 155 HG SER 21 HG SER 21 116.189 -8.674 -10.534 156 H ILE 22 HN ILE 22 114.403 -7.933 -9.586 157 HA ILE 22 HA ILE 22 114.204 -9.463 -7.216 158 HB ILE 22 HB ILE 22 112.573 -10.842 -8.442 159 HG12 ILE 22 HG12 ILE 22 113.476 -9.265 -10.874 160 HG13 ILE 22 HG11 ILE 22 113.882 -10.955 -10.573 161 HG21 ILE 22 HG21 ILE 22 111.960 -8.572 -7.613 162 HG22 ILE 22 HG22 ILE 22 111.045 -9.038 -9.046 163 HG23 ILE 22 HG23 ILE 22 112.392 -7.909 -9.189 164 HD11 ILE 22 HD11 ILE 22 111.975 -11.024 -11.992 165 HD12 ILE 22 HD12 ILE 22 111.154 -9.763 -11.073 166 HD13 ILE 22 HD13 ILE 22 111.361 -11.368 -10.374 167 H ASN 23 HN ASN 23 115.908 -10.107 -10.222 168 HA ASN 23 HA ASN 23 116.436 -12.889 -9.740 169 HB2 ASN 23 HB2 ASN 23 116.757 -11.924 -11.960 170 HB3 ASN 23 HB1 ASN 23 118.000 -10.840 -11.336 171 HD21 ASN 23 HD21 ASN 23 117.651 -13.718 -12.983 172 HD22 ASN 23 HD22 ASN 23 119.116 -14.460 -12.555 173 H GLU 24 HN GLU 24 118.165 -9.916 -8.865 174 HA GLU 24 HA GLU 24 120.494 -11.201 -7.807 175 HB2 GLU 24 HB2 GLU 24 119.227 -8.529 -7.139 176 HB3 GLU 24 HB1 GLU 24 120.820 -9.038 -6.578 177 HG2 GLU 24 HG2 GLU 24 120.001 -8.865 -9.493 178 HG3 GLU 24 HG1 GLU 24 120.939 -7.638 -8.640 179 H ILE 25 HN ILE 25 117.406 -10.270 -6.292 180 HA ILE 25 HA ILE 25 118.342 -11.289 -3.689 181 HB ILE 25 HB ILE 25 115.955 -10.751 -2.996 182 HG12 ILE 25 HG12 ILE 25 115.860 -9.398 -5.693 183 HG13 ILE 25 HG11 ILE 25 115.087 -10.953 -5.379 184 HG21 ILE 25 HG21 ILE 25 117.659 -8.583 -4.257 185 HG22 ILE 25 HG22 ILE 25 117.786 -9.180 -2.603 186 HG23 ILE 25 HG23 ILE 25 116.351 -8.288 -3.112 187 HD11 ILE 25 HD11 ILE 25 113.519 -9.015 -5.103 188 HD12 ILE 25 HD12 ILE 25 114.543 -8.421 -3.799 189 HD13 ILE 25 HD13 ILE 25 113.707 -9.964 -3.631 190 H SER 26 HN SER 26 116.878 -12.564 -6.485 191 HA SER 26 HA SER 26 115.232 -14.600 -5.294 192 HB2 SER 26 HB2 SER 26 115.357 -15.688 -7.500 193 HB3 SER 26 HB1 SER 26 115.066 -13.962 -7.682 194 HG SER 26 HG SER 26 116.909 -15.239 -8.862 195 H ASN 27 HN ASN 27 116.850 -16.644 -7.068 196 HA ASN 27 HA ASN 27 118.624 -17.502 -4.821 197 HB2 ASN 27 HB2 ASN 27 117.388 -19.052 -7.120 198 HB3 ASN 27 HB1 ASN 27 118.517 -19.741 -5.954 199 HD21 ASN 27 HD21 ASN 27 115.586 -20.378 -6.381 200 HD22 ASN 27 HD22 ASN 27 114.860 -20.131 -4.866 201 H LYS 28 HN LYS 28 119.290 -15.471 -6.908 202 HA LYS 28 HA LYS 28 121.668 -16.881 -8.083 203 HB2 LYS 28 HB2 LYS 28 119.980 -14.703 -9.342 204 HB3 LYS 28 HB1 LYS 28 121.477 -15.336 -10.022 205 HG2 LYS 28 HG2 LYS 28 120.016 -16.725 -11.127 206 HG3 LYS 28 HG1 LYS 28 120.181 -17.672 -9.649 207 HD2 LYS 28 HD2 LYS 28 118.171 -16.580 -8.720 208 HD3 LYS 28 HD1 LYS 28 118.008 -15.625 -10.193 209 HE2 LYS 28 HE2 LYS 28 117.746 -17.695 -11.508 210 HE3 LYS 28 HE1 LYS 28 117.914 -18.651 -10.035 211 HZ1 LYS 28 HZ1 LYS 28 115.931 -17.725 -9.162 212 HZ2 LYS 28 HZ2 LYS 28 115.580 -18.224 -10.748 213 HZ3 LYS 28 HZ3 LYS 28 115.827 -16.578 -10.407 214 H SER 29 HN SER 29 120.971 -14.990 -5.668 215 HA SER 29 HA SER 29 122.086 -12.478 -5.841 216 HB2 SER 29 HB2 SER 29 122.449 -14.592 -3.716 217 HB3 SER 29 HB1 SER 29 123.138 -12.981 -3.537 218 HG SER 29 HG SER 29 121.027 -13.163 -2.635 219 H SER 30 HN SER 30 124.160 -11.590 -6.008 220 HA SER 30 HA SER 30 126.103 -12.652 -7.595 221 HB2 SER 30 HB2 SER 30 126.226 -10.374 -6.640 222 HB3 SER 30 HB1 SER 30 126.657 -11.057 -5.075 223 HG SER 30 HG SER 30 128.430 -10.344 -6.512 224 H ASN 31 HN ASN 31 126.996 -12.598 -4.164 225 HA ASN 31 HA ASN 31 127.550 -15.518 -4.269 226 HB2 ASN 31 HB2 ASN 31 129.842 -15.196 -3.454 227 HB3 ASN 31 HB1 ASN 31 129.632 -14.357 -4.990 228 HD21 ASN 31 HD21 ASN 31 131.639 -13.175 -3.876 229 HD22 ASN 31 HD22 ASN 31 131.249 -11.799 -2.963 230 H ASN 32 HN ASN 32 126.350 -12.862 -2.626 231 HA ASN 32 HA ASN 32 127.077 -13.388 0.076 232 HB2 ASN 32 HB2 ASN 32 124.595 -12.148 -1.138 233 HB3 ASN 32 HB1 ASN 32 124.892 -12.212 0.600 234 HD21 ASN 32 HD21 ASN 32 124.732 -9.713 -0.824 235 HD22 ASN 32 HD22 ASN 32 126.265 -8.986 -0.784 236 H GLN 33 HN GLN 33 126.608 -15.159 1.291 237 HA GLN 33 HA GLN 33 125.349 -17.462 0.594 238 HB2 GLN 33 HB2 GLN 33 124.498 -17.546 3.065 239 HB3 GLN 33 HB1 GLN 33 126.234 -17.478 2.765 240 HG2 GLN 33 HG2 GLN 33 126.386 -15.228 3.383 241 HG3 GLN 33 HG1 GLN 33 124.677 -14.923 3.083 242 HE21 GLN 33 HE21 GLN 33 123.320 -16.747 4.563 243 HE22 GLN 33 HE22 GLN 33 123.750 -16.676 6.203 244 H GLN 34 HN GLN 34 123.248 -15.879 2.898 245 HA GLN 34 HA GLN 34 121.131 -15.599 0.826 246 HB2 GLN 34 HB2 GLN 34 119.562 -16.666 2.583 247 HB3 GLN 34 HB1 GLN 34 120.611 -17.751 1.670 248 HG2 GLN 34 HG2 GLN 34 122.242 -17.741 3.523 249 HG3 GLN 34 HG1 GLN 34 121.195 -16.656 4.439 250 HE21 GLN 34 HE21 GLN 34 120.740 -18.201 6.140 251 HE22 GLN 34 HE22 GLN 34 119.815 -19.597 5.865 252 H ASP 35 HN ASP 35 122.736 -13.643 2.294 253 HA ASP 35 HA ASP 35 120.511 -12.255 3.724 254 HB2 ASP 35 HB2 ASP 35 123.399 -12.494 4.616 255 HB3 ASP 35 HB1 ASP 35 122.239 -11.370 5.325 256 H ILE 36 HN ILE 36 120.089 -10.624 2.276 257 HA ILE 36 HA ILE 36 122.364 -9.281 0.927 258 HB ILE 36 HB ILE 36 119.384 -8.776 0.686 259 HG12 ILE 36 HG12 ILE 36 119.924 -11.038 -0.056 260 HG13 ILE 36 HG11 ILE 36 119.625 -10.027 -1.470 261 HG21 ILE 36 HG21 ILE 36 120.057 -7.638 -1.428 262 HG22 ILE 36 HG22 ILE 36 121.746 -7.897 -0.995 263 HG23 ILE 36 HG23 ILE 36 120.731 -6.854 0.001 264 HD11 ILE 36 HD11 ILE 36 122.226 -11.112 -0.439 265 HD12 ILE 36 HD12 ILE 36 122.229 -9.617 -1.369 266 HD13 ILE 36 HD13 ILE 36 121.603 -11.097 -2.086 267 H VAL 37 HN VAL 37 123.287 -7.541 1.894 268 HA VAL 37 HA VAL 37 121.617 -5.978 3.832 269 HB VAL 37 HB VAL 37 124.579 -6.564 3.791 270 HG11 VAL 37 HG11 VAL 37 122.980 -4.453 5.213 271 HG12 VAL 37 HG12 VAL 37 124.572 -4.326 4.466 272 HG13 VAL 37 HG13 VAL 37 124.386 -5.162 6.008 273 HG21 VAL 37 HG21 VAL 37 122.675 -8.104 4.827 274 HG22 VAL 37 HG22 VAL 37 122.736 -6.920 6.133 275 HG23 VAL 37 HG23 VAL 37 124.183 -7.830 5.699 276 H CYS 38 HN CYS 38 121.257 -3.887 3.330 277 HA CYS 38 HA CYS 38 122.854 -2.699 1.100 278 HB2 CYS 38 HB2 CYS 38 120.213 -1.842 2.336 279 HB3 CYS 38 HB1 CYS 38 121.037 -1.019 1.010 280 H THR 39 HN THR 39 124.673 -1.816 2.112 281 HA THR 39 HA THR 39 124.288 -0.309 4.626 282 HB THR 39 HB THR 39 126.781 -1.020 3.049 283 HG1 THR 39 HG1 THR 39 125.643 -2.711 4.181 284 HG21 THR 39 HG21 THR 39 126.336 0.561 5.573 285 HG22 THR 39 HG22 THR 39 127.353 0.957 4.187 286 HG23 THR 39 HG23 THR 39 127.846 -0.311 5.310 287 H VAL 40 HN VAL 40 123.853 1.814 4.529 288 HA VAL 40 HA VAL 40 125.175 3.447 2.406 289 HB VAL 40 HB VAL 40 123.014 4.668 2.028 290 HG11 VAL 40 HG11 VAL 40 123.825 2.819 0.531 291 HG12 VAL 40 HG12 VAL 40 122.070 2.997 0.542 292 HG13 VAL 40 HG13 VAL 40 122.830 1.695 1.457 293 HG21 VAL 40 HG21 VAL 40 120.942 3.728 2.826 294 HG22 VAL 40 HG22 VAL 40 122.008 3.885 4.222 295 HG23 VAL 40 HG23 VAL 40 121.768 2.308 3.466 296 H LYS 41 HN LYS 41 125.373 5.702 3.024 297 HA LYS 41 HA LYS 41 125.220 6.060 5.980 298 HB2 LYS 41 HB2 LYS 41 126.729 7.573 3.830 299 HB3 LYS 41 HB1 LYS 41 126.713 8.032 5.534 300 HG2 LYS 41 HG2 LYS 41 127.638 5.830 6.143 301 HG3 LYS 41 HG1 LYS 41 127.652 5.363 4.442 302 HD2 LYS 41 HD2 LYS 41 129.222 7.163 3.925 303 HD3 LYS 41 HD1 LYS 41 129.163 7.725 5.596 304 HE2 LYS 41 HE2 LYS 41 131.166 6.356 5.252 305 HE3 LYS 41 HE1 LYS 41 130.054 5.527 6.342 306 HZ1 LYS 41 HZ1 LYS 41 129.912 3.847 4.931 307 HZ2 LYS 41 HZ2 LYS 41 131.098 4.580 3.959 308 HZ3 LYS 41 HZ3 LYS 41 129.451 4.874 3.663 309 H ALA 42 HN ALA 42 123.849 7.552 6.871 310 HA ALA 42 HA ALA 42 122.038 8.987 4.999 311 HB1 ALA 42 HB1 ALA 42 120.571 9.253 6.894 312 HB2 ALA 42 HB2 ALA 42 121.829 8.728 8.013 313 HB3 ALA 42 HB3 ALA 42 121.118 7.578 6.879 314 H HIS 43 HN HIS 43 121.516 11.276 5.464 315 HA HIS 43 HA HIS 43 123.695 12.716 6.923 316 HB2 HIS 43 HB2 HIS 43 123.874 12.657 4.314 317 HB3 HIS 43 HB1 HIS 43 122.546 13.815 4.372 318 HD1 HIS 43 HD1 HIS 43 123.022 16.167 5.306 319 HD2 HIS 43 HD2 HIS 43 126.339 13.637 5.401 320 HE1 HIS 43 HE1 HIS 43 125.025 17.626 5.838 321 HE2 HIS 43 HE2 HIS 43 127.047 16.098 5.898 322 H ALA 44 HN ALA 44 123.036 14.719 7.837 323 HA ALA 44 HA ALA 44 120.462 14.858 8.939 324 HB1 ALA 44 HB1 ALA 44 122.657 16.254 9.409 325 HB2 ALA 44 HB2 ALA 44 121.082 16.939 9.780 326 HB3 ALA 44 HB3 ALA 44 121.913 17.405 8.301 327 H ASN 45 HN ASN 45 121.509 15.800 5.762 328 HA ASN 45 HA ASN 45 118.896 17.162 5.282 329 HB2 ASN 45 HB2 ASN 45 121.497 17.132 3.725 330 HB3 ASN 45 HB1 ASN 45 120.012 17.867 3.120 331 HD21 ASN 45 HD21 ASN 45 122.333 19.461 3.615 332 HD22 ASN 45 HD22 ASN 45 122.013 20.487 4.929 333 H ASP 46 HN ASP 46 120.779 14.347 4.460 334 HA ASP 46 HA ASP 46 119.275 13.630 2.094 335 HB2 ASP 46 HB2 ASP 46 121.141 12.128 3.932 336 HB3 ASP 46 HB1 ASP 46 120.313 11.326 2.608 337 H LEU 47 HN LEU 47 117.376 12.485 1.949 338 HA LEU 47 HA LEU 47 115.899 11.938 4.423 339 HB2 LEU 47 HB2 LEU 47 115.232 11.475 1.500 340 HB3 LEU 47 HB1 LEU 47 114.129 11.114 2.824 341 HG LEU 47 HG LEU 47 115.362 13.850 2.404 342 HD11 LEU 47 HD11 LEU 47 112.758 12.684 1.391 343 HD12 LEU 47 HD12 LEU 47 114.039 13.442 0.445 344 HD13 LEU 47 HD13 LEU 47 113.041 14.421 1.520 345 HD21 LEU 47 HD21 LEU 47 113.257 12.659 4.191 346 HD22 LEU 47 HD22 LEU 47 113.147 14.357 3.739 347 HD23 LEU 47 HD23 LEU 47 114.565 13.768 4.603 348 H ILE 48 HN ILE 48 115.290 9.815 5.149 349 HA ILE 48 HA ILE 48 116.888 7.599 3.874 350 HB ILE 48 HB ILE 48 117.039 6.603 6.129 351 HG12 ILE 48 HG12 ILE 48 115.834 9.205 7.106 352 HG13 ILE 48 HG11 ILE 48 114.927 7.703 6.990 353 HG21 ILE 48 HG21 ILE 48 118.418 8.572 7.153 354 HG22 ILE 48 HG22 ILE 48 118.064 9.386 5.631 355 HG23 ILE 48 HG23 ILE 48 118.949 7.861 5.631 356 HD11 ILE 48 HD11 ILE 48 117.521 7.803 8.499 357 HD12 ILE 48 HD12 ILE 48 116.194 6.651 8.654 358 HD13 ILE 48 HD13 ILE 48 116.009 8.295 9.263 359 H GLY 49 HN GLY 49 115.849 5.676 3.513 360 HA2 GLY 49 HA2 GLY 49 113.421 4.807 4.737 361 HA3 GLY 49 HA1 GLY 49 112.986 5.673 3.262 362 H PHE 50 HN PHE 50 112.211 3.294 2.839 363 HA PHE 50 HA PHE 50 113.985 2.156 0.882 364 HB2 PHE 50 HB2 PHE 50 114.576 0.073 1.941 365 HB3 PHE 50 HB1 PHE 50 115.081 1.378 3.010 366 HD1 PHE 50 HD2 PHE 50 113.888 1.847 5.097 367 HD2 PHE 50 HD1 PHE 50 112.686 -1.358 2.505 368 HE1 PHE 50 HE2 PHE 50 112.485 0.905 6.912 369 HE2 PHE 50 HE1 PHE 50 111.282 -2.300 4.318 370 HZ PHE 50 HZ PHE 50 111.184 -1.171 6.524 371 H LYS 51 HN LYS 51 113.052 -0.062 0.132 372 HA LYS 51 HA LYS 51 110.162 -0.333 0.736 373 HB2 LYS 51 HB2 LYS 51 110.300 1.270 -1.141 374 HB3 LYS 51 HB1 LYS 51 111.216 0.089 -2.074 375 HG2 LYS 51 HG2 LYS 51 109.325 -1.474 -1.978 376 HG3 LYS 51 HG1 LYS 51 108.409 -0.325 -1.001 377 HD2 LYS 51 HD2 LYS 51 108.513 1.320 -2.846 378 HD3 LYS 51 HD1 LYS 51 109.408 0.159 -3.826 379 HE2 LYS 51 HE2 LYS 51 107.509 -1.411 -3.713 380 HE3 LYS 51 HE1 LYS 51 106.612 -0.257 -2.727 381 HZ1 LYS 51 HZ1 LYS 51 106.210 1.078 -4.484 382 HZ2 LYS 51 HZ2 LYS 51 106.397 -0.368 -5.356 383 HZ3 LYS 51 HZ3 LYS 51 107.686 0.733 -5.245 384 H CYS 52 HN CYS 52 109.383 -2.430 0.356 385 HA CYS 52 HA CYS 52 111.386 -4.413 -0.635 386 HB2 CYS 52 HB2 CYS 52 109.386 -4.654 1.638 387 HB3 CYS 52 HB1 CYS 52 110.288 -6.018 0.991 388 HA PRO 53 HA PRO 53 108.415 -5.666 -3.670 389 HB2 PRO 53 HB2 PRO 53 108.488 -8.468 -3.234 390 HB3 PRO 53 HB1 PRO 53 109.502 -7.549 -4.360 391 HG2 PRO 53 HG2 PRO 53 110.117 -8.524 -1.633 392 HG3 PRO 53 HG1 PRO 53 111.183 -8.328 -3.031 393 HD2 PRO 53 HD2 PRO 53 111.257 -6.624 -0.957 394 HD3 PRO 53 HD1 PRO 53 111.509 -6.056 -2.621 395 H SER 54 HN SER 54 106.219 -6.186 -3.803 396 HA SER 54 HA SER 54 104.700 -6.090 -1.358 397 HB2 SER 54 HB2 SER 54 103.863 -5.171 -3.492 398 HB3 SER 54 HB1 SER 54 103.784 -6.799 -4.158 399 HG SER 54 HG SER 54 102.510 -7.009 -1.949 400 H ASN 55 HN ASN 55 106.154 -8.717 -2.998 401 HA ASN 55 HA ASN 55 104.171 -10.675 -2.011 402 HB2 ASN 55 HB2 ASN 55 106.760 -11.013 -3.557 403 HB3 ASN 55 HB1 ASN 55 105.673 -12.334 -3.125 404 HD21 ASN 55 HD21 ASN 55 106.430 -10.535 -5.734 405 HD22 ASN 55 HD22 ASN 55 104.915 -10.419 -6.489 406 H TYR 56 HN TYR 56 106.704 -9.040 -0.658 407 HA TYR 56 HA TYR 56 107.515 -11.358 1.052 408 HB2 TYR 56 HB2 TYR 56 108.901 -8.820 0.270 409 HB3 TYR 56 HB1 TYR 56 109.380 -9.684 1.729 410 HD1 TYR 56 HD1 TYR 56 108.625 -10.346 -1.893 411 HD2 TYR 56 HD2 TYR 56 110.964 -11.383 1.556 412 HE1 TYR 56 HE1 TYR 56 109.936 -11.944 -3.262 413 HE2 TYR 56 HE2 TYR 56 112.274 -12.985 0.189 414 HH TYR 56 HH TYR 56 112.120 -14.220 -1.838 415 H SER 57 HN SER 57 107.894 -10.813 3.398 416 HA SER 57 HA SER 57 105.750 -8.941 4.324 417 HB2 SER 57 HB2 SER 57 105.493 -11.243 5.111 418 HB3 SER 57 HB1 SER 57 107.144 -11.248 5.721 419 HG SER 57 HG SER 57 106.345 -9.299 6.953 420 H VAL 58 HN VAL 58 106.324 -7.157 5.545 421 HA VAL 58 HA VAL 58 109.219 -6.668 5.866 422 HB VAL 58 HB VAL 58 108.667 -4.387 6.185 423 HG11 VAL 58 HG11 VAL 58 107.377 -3.865 4.256 424 HG12 VAL 58 HG12 VAL 58 106.429 -5.346 4.395 425 HG13 VAL 58 HG13 VAL 58 108.121 -5.425 3.903 426 HG21 VAL 58 HG21 VAL 58 106.135 -3.804 6.460 427 HG22 VAL 58 HG22 VAL 58 107.031 -4.366 7.871 428 HG23 VAL 58 HG23 VAL 58 105.977 -5.477 6.993 429 H GLU 59 HN GLU 59 110.239 -7.052 7.725 430 HA GLU 59 HA GLU 59 108.686 -7.000 10.270 431 HB2 GLU 59 HB2 GLU 59 110.688 -9.014 9.278 432 HB3 GLU 59 HB1 GLU 59 110.459 -8.765 11.008 433 HG2 GLU 59 HG2 GLU 59 108.298 -9.600 10.988 434 HG3 GLU 59 HG1 GLU 59 108.029 -9.159 9.300 435 HA PRO 60 HA PRO 60 112.059 -4.095 11.003 436 HB2 PRO 60 HB2 PRO 60 111.329 -3.250 13.475 437 HB3 PRO 60 HB1 PRO 60 110.448 -2.761 12.013 438 HG2 PRO 60 HG2 PRO 60 109.764 -4.839 14.032 439 HG3 PRO 60 HG1 PRO 60 108.710 -3.674 13.211 440 HD2 PRO 60 HD2 PRO 60 108.948 -6.317 12.458 441 HD3 PRO 60 HD1 PRO 60 108.465 -5.008 11.354 442 H HIS 61 HN HIS 61 114.042 -5.017 11.430 443 HA HIS 61 HA HIS 61 114.324 -6.832 13.757 444 HB2 HIS 61 HB2 HIS 61 115.335 -7.229 11.384 445 HB3 HIS 61 HB1 HIS 61 116.559 -6.063 11.888 446 HD1 HIS 61 HD1 HIS 61 117.582 -8.850 11.454 447 HD2 HIS 61 HD2 HIS 61 115.996 -7.639 15.115 448 HE1 HIS 61 HE1 HIS 61 118.516 -10.432 13.201 449 HE2 HIS 61 HE2 HIS 61 117.557 -9.703 15.433 450 H ASP 62 HN ASP 62 115.046 -3.630 12.684 451 HA ASP 62 HA ASP 62 115.740 -2.735 15.333 452 HB2 ASP 62 HB2 ASP 62 117.885 -3.842 14.723 453 HB3 ASP 62 HB1 ASP 62 117.995 -2.800 13.304 454 H CYS 63 HN CYS 63 113.866 -2.029 13.325 455 HA CYS 63 HA CYS 63 114.673 0.191 11.719 456 HB2 CYS 63 HB2 CYS 63 111.967 -0.533 12.874 457 HB3 CYS 63 HB1 CYS 63 112.221 0.728 11.673 458 H PHE 64 HN PHE 64 112.667 2.160 12.608 459 HA PHE 64 HA PHE 64 114.185 3.221 14.952 460 HB2 PHE 64 HB2 PHE 64 113.184 5.451 14.097 461 HB3 PHE 64 HB1 PHE 64 114.554 4.744 13.242 462 HD1 PHE 64 HD2 PHE 64 114.194 3.491 11.118 463 HD2 PHE 64 HD1 PHE 64 111.014 5.609 13.079 464 HE1 PHE 64 HE2 PHE 64 112.849 3.396 9.037 465 HE2 PHE 64 HE1 PHE 64 109.670 5.516 10.997 466 HZ PHE 64 HZ PHE 64 110.587 4.410 8.980 467 H VAL 65 HN VAL 65 110.850 3.468 13.583 468 HA VAL 65 HA VAL 65 109.614 4.549 15.853 469 HB VAL 65 HB VAL 65 108.601 2.540 13.833 470 HG11 VAL 65 HG11 VAL 65 107.292 3.560 16.339 471 HG12 VAL 65 HG12 VAL 65 107.235 1.945 15.634 472 HG13 VAL 65 HG13 VAL 65 106.305 3.255 14.909 473 HG21 VAL 65 HG21 VAL 65 108.061 5.465 14.429 474 HG22 VAL 65 HG22 VAL 65 107.154 4.523 13.246 475 HG23 VAL 65 HG23 VAL 65 108.878 4.804 13.013 476 H SER 66 HN SER 66 109.395 1.055 15.169 477 HA SER 66 HA SER 66 110.111 0.502 18.005 478 HB2 SER 66 HB2 SER 66 107.616 0.554 17.832 479 HB3 SER 66 HB1 SER 66 107.702 -0.691 16.590 480 HG SER 66 HG SER 66 108.768 -0.929 19.214 481 H ALA 67 HN ALA 67 111.533 -1.222 18.099 482 HA ALA 67 HA ALA 67 111.425 -3.444 16.263 483 HB1 ALA 67 HB1 ALA 67 112.335 -1.459 14.876 484 HB2 ALA 67 HB2 ALA 67 113.219 -2.978 14.804 485 HB3 ALA 67 HB3 ALA 67 113.807 -1.657 15.815 486 H PHE 68 HN PHE 68 113.724 -4.591 16.352 487 HA PHE 68 HA PHE 68 114.386 -4.794 19.239 488 HB2 PHE 68 HB2 PHE 68 115.505 -6.517 17.020 489 HB3 PHE 68 HB1 PHE 68 115.351 -6.911 18.729 490 HD1 PHE 68 HD1 PHE 68 113.337 -6.128 15.687 491 HD2 PHE 68 HD2 PHE 68 113.422 -8.010 19.541 492 HE1 PHE 68 HE1 PHE 68 111.108 -7.131 15.245 493 HE2 PHE 68 HE2 PHE 68 111.194 -9.008 19.103 494 HZ PHE 68 HZ PHE 68 110.038 -8.561 16.946 495 H ASN 69 HN ASN 69 116.249 -3.886 20.035 496 HA ASN 69 HA ASN 69 118.005 -2.400 18.263 497 HB2 ASN 69 HB2 ASN 69 118.140 -3.047 21.219 498 HB3 ASN 69 HB1 ASN 69 119.341 -2.053 20.394 499 HD21 ASN 69 HD21 ASN 69 117.617 -1.013 22.475 500 HD22 ASN 69 HD22 ASN 69 116.600 0.150 21.768 501 H LEU 70 HN LEU 70 120.550 -2.806 19.057 502 HA LEU 70 HA LEU 70 121.324 -5.193 17.680 503 HB2 LEU 70 HB2 LEU 70 122.853 -3.344 19.537 504 HB3 LEU 70 HB1 LEU 70 123.609 -4.673 18.662 505 HG LEU 70 HG LEU 70 121.963 -2.585 17.226 506 HD11 LEU 70 HD11 LEU 70 124.222 -1.540 16.680 507 HD12 LEU 70 HD12 LEU 70 124.889 -2.498 18.002 508 HD13 LEU 70 HD13 LEU 70 123.649 -1.287 18.329 509 HD21 LEU 70 HD21 LEU 70 123.625 -3.302 15.391 510 HD22 LEU 70 HD22 LEU 70 122.416 -4.489 15.858 511 HD23 LEU 70 HD23 LEU 70 124.063 -4.631 16.460 512 H SER 71 HN SER 71 120.448 -4.568 20.968 513 HA SER 71 HA SER 71 121.720 -6.998 22.015 514 HB2 SER 71 HB2 SER 71 120.610 -6.402 24.114 515 HB3 SER 71 HB1 SER 71 121.374 -4.969 23.434 516 HG SER 71 HG SER 71 119.396 -4.237 23.782 517 H GLY 72 HN GLY 72 118.999 -6.309 20.193 518 HA2 GLY 72 HA2 GLY 72 117.362 -7.825 19.406 519 HA3 GLY 72 HA1 GLY 72 117.938 -9.007 20.585 520 H LYS 73 HN LYS 73 117.296 -5.849 21.802 521 HA LYS 73 HA LYS 73 114.870 -6.912 23.179 522 HB2 LYS 73 HB2 LYS 73 116.509 -4.430 23.803 523 HB3 LYS 73 HB1 LYS 73 115.245 -5.135 24.807 524 HG2 LYS 73 HG2 LYS 73 117.697 -6.701 24.012 525 HG3 LYS 73 HG1 LYS 73 117.667 -5.694 25.460 526 HD2 LYS 73 HD2 LYS 73 115.669 -6.957 26.252 527 HD3 LYS 73 HD1 LYS 73 115.798 -8.006 24.845 528 HE2 LYS 73 HE2 LYS 73 118.055 -8.692 25.534 529 HE3 LYS 73 HE1 LYS 73 117.940 -7.644 26.948 530 HZ1 LYS 73 HZ1 LYS 73 117.076 -9.410 27.961 531 HZ2 LYS 73 HZ2 LYS 73 116.808 -10.242 26.504 532 HZ3 LYS 73 HZ3 LYS 73 115.666 -9.117 27.065 533 H ASN 74 HN ASN 74 112.883 -5.881 22.947 534 HA ASN 74 HA ASN 74 112.613 -4.135 20.620 535 HB2 ASN 74 HB2 ASN 74 110.948 -5.919 21.201 536 HB3 ASN 74 HB1 ASN 74 110.488 -4.968 22.614 537 HD21 ASN 74 HD21 ASN 74 108.326 -4.514 21.797 538 HD22 ASN 74 HD22 ASN 74 108.072 -3.481 20.474 539 H GLU 75 HN GLU 75 112.961 -1.983 20.774 540 HA GLU 75 HA GLU 75 111.739 -0.475 22.993 541 HB2 GLU 75 HB2 GLU 75 113.990 -1.075 23.854 542 HB3 GLU 75 HB1 GLU 75 114.720 -0.334 22.431 543 HG2 GLU 75 HG2 GLU 75 113.752 1.841 23.044 544 HG3 GLU 75 HG1 GLU 75 112.975 1.111 24.450 545 H ASN 76 HN ASN 76 111.126 1.589 22.318 546 HA ASN 76 HA ASN 76 111.142 2.185 19.536 547 HB2 ASN 76 HB2 ASN 76 110.593 3.820 22.015 548 HB3 ASN 76 HB1 ASN 76 110.545 4.563 20.417 549 HD21 ASN 76 HD21 ASN 76 108.122 4.754 21.320 550 HD22 ASN 76 HD22 ASN 76 107.085 3.492 20.859 551 H LEU 77 HN LEU 77 112.393 3.700 18.333 552 HA LEU 77 HA LEU 77 115.091 4.180 19.469 553 HB2 LEU 77 HB2 LEU 77 114.609 3.091 17.156 554 HB3 LEU 77 HB1 LEU 77 114.280 4.741 16.624 555 HG LEU 77 HG LEU 77 116.538 5.404 17.482 556 HD11 LEU 77 HD11 LEU 77 116.528 2.515 18.239 557 HD12 LEU 77 HD12 LEU 77 117.289 3.880 19.050 558 HD13 LEU 77 HD13 LEU 77 118.044 3.173 17.628 559 HD21 LEU 77 HD21 LEU 77 116.497 3.169 15.442 560 HD22 LEU 77 HD22 LEU 77 117.797 4.345 15.639 561 HD23 LEU 77 HD23 LEU 77 116.201 4.874 15.105 562 H GLU 78 HN GLU 78 112.335 5.814 19.593 563 HA GLU 78 HA GLU 78 113.019 8.389 18.470 564 HB2 GLU 78 HB2 GLU 78 111.114 9.252 19.699 565 HB3 GLU 78 HB1 GLU 78 110.684 7.681 19.025 566 HG2 GLU 78 HG2 GLU 78 111.250 6.630 21.218 567 HG3 GLU 78 HG1 GLU 78 111.545 8.239 21.876 568 H ASN 79 HN ASN 79 113.387 6.986 21.718 569 HA ASN 79 HA ASN 79 114.332 9.368 22.988 570 HB2 ASN 79 HB2 ASN 79 113.640 7.353 24.248 571 HB3 ASN 79 HB1 ASN 79 115.031 6.480 23.605 572 HD21 ASN 79 HD21 ASN 79 114.678 6.925 26.435 573 HD22 ASN 79 HD22 ASN 79 115.919 7.955 26.961 574 H LYS 80 HN LYS 80 115.912 6.919 21.027 575 HA LYS 80 HA LYS 80 118.608 7.878 21.552 576 HB2 LYS 80 HB2 LYS 80 118.311 5.583 20.831 577 HB3 LYS 80 HB1 LYS 80 117.479 6.116 19.379 578 HG2 LYS 80 HG2 LYS 80 119.813 5.520 18.869 579 HG3 LYS 80 HG1 LYS 80 119.541 7.236 18.594 580 HD2 LYS 80 HD2 LYS 80 120.644 7.847 20.610 581 HD3 LYS 80 HD1 LYS 80 120.580 6.198 21.237 582 HE2 LYS 80 HE2 LYS 80 122.141 5.462 19.495 583 HE3 LYS 80 HE1 LYS 80 122.161 7.086 18.810 584 HZ1 LYS 80 HZ1 LYS 80 124.058 6.887 20.181 585 HZ2 LYS 80 HZ2 LYS 80 123.160 6.230 21.466 586 HZ3 LYS 80 HZ3 LYS 80 122.960 7.860 21.031 587 H LEU 81 HN LEU 81 116.337 8.188 18.818 588 HA LEU 81 HA LEU 81 117.661 10.754 18.110 589 HB2 LEU 81 HB2 LEU 81 118.590 8.959 16.646 590 HB3 LEU 81 HB1 LEU 81 116.952 8.584 16.112 591 HG LEU 81 HG LEU 81 116.705 10.867 15.224 592 HD11 LEU 81 HD11 LEU 81 118.010 12.309 16.485 593 HD12 LEU 81 HD12 LEU 81 119.063 12.100 15.086 594 HD13 LEU 81 HD13 LEU 81 119.367 11.187 16.564 595 HD21 LEU 81 HD21 LEU 81 118.715 10.689 13.542 596 HD22 LEU 81 HD22 LEU 81 117.493 9.419 13.558 597 HD23 LEU 81 HD23 LEU 81 119.034 9.167 14.372 598 H LYS 82 HN LYS 82 116.098 12.307 17.930 599 HA LYS 82 HA LYS 82 113.289 11.498 17.905 600 HB2 LYS 82 HB2 LYS 82 114.504 13.590 19.055 601 HB3 LYS 82 HB1 LYS 82 114.093 14.355 17.522 602 HG2 LYS 82 HG2 LYS 82 111.742 13.819 17.822 603 HG3 LYS 82 HG1 LYS 82 112.100 12.877 19.269 604 HD2 LYS 82 HD2 LYS 82 111.311 15.023 20.010 605 HD3 LYS 82 HD1 LYS 82 113.052 14.987 20.290 606 HE2 LYS 82 HE2 LYS 82 113.495 16.355 18.398 607 HE3 LYS 82 HE1 LYS 82 111.876 16.105 17.743 608 HZ1 LYS 82 HZ1 LYS 82 111.163 17.849 18.874 609 HZ2 LYS 82 HZ2 LYS 82 112.743 18.137 19.432 610 HZ3 LYS 82 HZ3 LYS 82 111.682 17.168 20.339 611 H LEU 83 HN LEU 83 113.022 10.526 15.846 612 HA LEU 83 HA LEU 83 113.745 11.917 13.400 613 HB2 LEU 83 HB2 LEU 83 111.930 9.546 13.910 614 HB3 LEU 83 HB1 LEU 83 112.375 10.126 12.307 615 HG LEU 83 HG LEU 83 114.344 9.225 14.429 616 HD11 LEU 83 HD11 LEU 83 112.755 7.509 13.218 617 HD12 LEU 83 HD12 LEU 83 114.480 7.162 13.350 618 HD13 LEU 83 HD13 LEU 83 113.821 7.793 11.842 619 HD21 LEU 83 HD21 LEU 83 114.572 10.415 11.690 620 HD22 LEU 83 HD22 LEU 83 115.730 9.163 12.139 621 HD23 LEU 83 HD23 LEU 83 115.610 10.635 13.099 622 H THR 84 HN THR 84 112.321 12.921 11.909 623 HA THR 84 HA THR 84 109.612 13.636 13.026 624 HB THR 84 HB THR 84 109.884 15.891 12.141 625 HG1 THR 84 HG1 THR 84 111.152 15.827 10.438 626 HG21 THR 84 HG21 THR 84 111.592 16.710 13.640 627 HG22 THR 84 HG22 THR 84 112.396 15.141 13.654 628 HG23 THR 84 HG23 THR 84 110.815 15.327 14.411 629 H ASN 85 HN ASN 85 108.023 14.205 11.312 630 HA ASN 85 HA ASN 85 106.931 13.663 9.322 631 HB2 ASN 85 HB2 ASN 85 109.746 14.205 8.417 632 HB3 ASN 85 HB1 ASN 85 108.509 13.717 7.264 633 HD21 ASN 85 HD21 ASN 85 109.750 16.349 7.252 634 HD22 ASN 85 HD22 ASN 85 108.547 17.483 7.605 635 H ILE 86 HN ILE 86 107.279 11.446 10.792 636 HA ILE 86 HA ILE 86 108.722 9.382 9.304 637 HB ILE 86 HB ILE 86 106.834 9.238 11.670 638 HG12 ILE 86 HG12 ILE 86 109.842 8.882 11.530 639 HG13 ILE 86 HG11 ILE 86 109.066 10.411 11.942 640 HG21 ILE 86 HG21 ILE 86 108.334 7.147 10.121 641 HG22 ILE 86 HG22 ILE 86 106.703 7.081 10.786 642 HG23 ILE 86 HG23 ILE 86 108.097 6.939 11.856 643 HD11 ILE 86 HD11 ILE 86 108.177 9.569 13.945 644 HD12 ILE 86 HD12 ILE 86 109.769 8.815 13.878 645 HD13 ILE 86 HD13 ILE 86 108.338 7.892 13.421 646 H ILE 87 HN ILE 87 107.866 8.034 7.793 647 HA ILE 87 HA ILE 87 104.894 8.116 7.344 648 HB ILE 87 HB ILE 87 107.088 7.832 5.269 649 HG12 ILE 87 HG12 ILE 87 106.977 10.126 6.109 650 HG13 ILE 87 HG11 ILE 87 106.274 10.062 4.493 651 HG21 ILE 87 HG21 ILE 87 104.096 7.680 5.179 652 HG22 ILE 87 HG22 ILE 87 105.288 6.670 4.362 653 HG23 ILE 87 HG23 ILE 87 104.973 8.305 3.782 654 HD11 ILE 87 HD11 ILE 87 104.917 10.443 7.132 655 HD12 ILE 87 HD12 ILE 87 104.027 9.636 5.847 656 HD13 ILE 87 HD13 ILE 87 104.637 11.269 5.604 657 H MET 88 HN MET 88 103.986 6.107 7.660 658 HA MET 88 HA MET 88 105.728 3.712 7.157 659 HB2 MET 88 HB2 MET 88 103.539 4.011 9.235 660 HB3 MET 88 HB1 MET 88 104.515 2.570 8.953 661 HG2 MET 88 HG2 MET 88 106.552 3.806 9.543 662 HG3 MET 88 HG1 MET 88 105.611 5.274 9.775 663 HE1 MET 88 HE1 MET 88 104.774 1.414 11.006 664 HE2 MET 88 HE2 MET 88 105.932 1.543 12.328 665 HE3 MET 88 HE3 MET 88 106.460 1.830 10.672 666 H ASP 89 HN ASP 89 104.998 3.052 5.166 667 HA ASP 89 HA ASP 89 102.033 2.716 4.823 668 HB2 ASP 89 HB2 ASP 89 103.243 4.219 3.184 669 HB3 ASP 89 HB1 ASP 89 104.133 2.796 2.647 670 H HIS 90 HN HIS 90 101.718 0.626 5.591 671 HA HIS 90 HA HIS 90 103.615 -1.509 5.111 672 HB2 HIS 90 HB2 HIS 90 100.765 -1.496 6.116 673 HB3 HIS 90 HB1 HIS 90 101.741 -2.960 5.993 674 HD1 HIS 90 HD1 HIS 90 101.431 0.246 7.922 675 HD2 HIS 90 HD2 HIS 90 103.871 -3.136 7.885 676 HE1 HIS 90 HE1 HIS 90 102.810 0.332 10.048 677 HE2 HIS 90 HE2 HIS 90 104.298 -1.722 10.034 678 H TYR 91 HN TYR 91 100.634 -0.447 3.519 679 HA TYR 91 HA TYR 91 100.243 -2.753 1.894 680 HB2 TYR 91 HB2 TYR 91 98.534 -1.018 2.053 681 HB3 TYR 91 HB1 TYR 91 99.614 0.151 1.291 682 HD1 TYR 91 HD1 TYR 91 97.873 -3.105 0.732 683 HD2 TYR 91 HD2 TYR 91 99.793 0.293 -1.064 684 HE1 TYR 91 HE1 TYR 91 97.132 -3.869 -1.508 685 HE2 TYR 91 HE2 TYR 91 99.051 -0.472 -3.303 686 HH TYR 91 HH TYR 91 98.404 -2.681 -4.367 687 H ASN 92 HN ASN 92 102.109 0.228 1.244 688 HA ASN 92 HA ASN 92 103.161 -0.972 -1.240 689 HB2 ASN 92 HB2 ASN 92 103.506 1.712 0.100 690 HB3 ASN 92 HB1 ASN 92 104.483 1.235 -1.291 691 HD21 ASN 92 HD21 ASN 92 102.649 3.427 -1.462 692 HD22 ASN 92 HD22 ASN 92 101.385 2.989 -2.507 693 H ASN 93 HN ASN 93 103.849 -1.179 1.996 694 HA ASN 93 HA ASN 93 105.729 -1.911 3.197 695 HB2 ASN 93 HB2 ASN 93 106.332 -2.981 0.430 696 HB3 ASN 93 HB1 ASN 93 107.299 -3.380 1.850 697 HD21 ASN 93 HD21 ASN 93 105.880 -5.431 0.473 698 HD22 ASN 93 HD22 ASN 93 104.616 -5.980 1.465 699 H THR 94 HN THR 94 105.926 0.782 2.541 700 HA THR 94 HA THR 94 108.852 1.036 2.022 701 HB THR 94 HB THR 94 107.793 1.801 -0.005 702 HG1 THR 94 HG1 THR 94 109.278 3.270 0.302 703 HG21 THR 94 HG21 THR 94 105.535 2.078 1.012 704 HG22 THR 94 HG22 THR 94 105.996 3.437 -0.010 705 HG23 THR 94 HG23 THR 94 106.080 3.583 1.747 706 H PHE 95 HN PHE 95 109.907 2.389 3.443 707 HA PHE 95 HA PHE 95 108.193 3.945 5.363 708 HB2 PHE 95 HB2 PHE 95 110.706 2.358 5.991 709 HB3 PHE 95 HB1 PHE 95 109.788 3.330 7.141 710 HD1 PHE 95 HD1 PHE 95 109.651 0.341 4.947 711 HD2 PHE 95 HD2 PHE 95 107.750 2.530 8.110 712 HE1 PHE 95 HE1 PHE 95 108.136 -1.578 5.363 713 HE2 PHE 95 HE2 PHE 95 106.229 0.615 8.525 714 HZ PHE 95 HZ PHE 95 106.423 -1.439 7.150 715 H TYR 96 HN TYR 96 108.919 6.014 5.835 716 HA TYR 96 HA TYR 96 111.623 6.809 4.837 717 HB2 TYR 96 HB2 TYR 96 109.108 8.463 4.456 718 HB3 TYR 96 HB1 TYR 96 110.726 8.851 3.884 719 HD1 TYR 96 HD1 TYR 96 107.783 6.694 3.397 720 HD2 TYR 96 HD2 TYR 96 111.691 7.723 1.954 721 HE1 TYR 96 HE1 TYR 96 107.325 5.471 1.290 722 HE2 TYR 96 HE2 TYR 96 111.237 6.497 -0.154 723 HH TYR 96 HH TYR 96 108.209 4.690 -0.608 724 H SER 97 HN SER 97 112.596 8.467 6.096 725 HA SER 97 HA SER 97 111.040 9.720 8.267 726 HB2 SER 97 HB2 SER 97 111.747 7.654 9.345 727 HB3 SER 97 HB1 SER 97 113.403 7.887 8.790 728 HG SER 97 HG SER 97 112.053 9.017 10.898 729 H ARG 98 HN ARG 98 112.158 11.574 9.169 730 HA ARG 98 HA ARG 98 114.411 12.504 7.424 731 HB2 ARG 98 HB2 ARG 98 112.469 14.116 9.106 732 HB3 ARG 98 HB1 ARG 98 113.737 14.786 8.082 733 HG2 ARG 98 HG2 ARG 98 112.665 13.647 6.121 734 HG3 ARG 98 HG1 ARG 98 111.344 13.157 7.172 735 HD2 ARG 98 HD2 ARG 98 110.483 15.144 6.311 736 HD3 ARG 98 HD1 ARG 98 111.281 15.735 7.759 737 HE ARG 98 HE ARG 98 113.198 15.777 5.661 738 HH11 ARG 98 HH21 ARG 98 110.108 17.170 6.352 739 HH12 ARG 98 HH22 ARG 98 110.482 18.684 5.599 740 HH21 ARG 98 HH11 ARG 98 113.686 17.741 4.673 741 HH22 ARG 98 HH12 ARG 98 112.506 19.010 4.654 742 H LEU 99 HN LEU 99 116.324 13.072 8.349 743 HA LEU 99 HA LEU 99 116.667 12.439 11.221 744 HB2 LEU 99 HB2 LEU 99 118.756 13.156 9.153 745 HB3 LEU 99 HB1 LEU 99 119.064 12.510 10.766 746 HG LEU 99 HG LEU 99 117.660 11.106 8.481 747 HD11 LEU 99 HD11 LEU 99 119.556 9.467 8.911 748 HD12 LEU 99 HD12 LEU 99 120.268 10.685 9.964 749 HD13 LEU 99 HD13 LEU 99 120.052 11.023 8.247 750 HD21 LEU 99 HD21 LEU 99 116.471 10.307 10.323 751 HD22 LEU 99 HD22 LEU 99 117.835 10.518 11.426 752 HD23 LEU 99 HD23 LEU 99 117.827 9.181 10.285 753 HA PRO 100 HA PRO 100 116.573 16.695 12.603 754 HB2 PRO 100 HB2 PRO 100 119.062 15.932 14.090 755 HB3 PRO 100 HB1 PRO 100 117.601 16.746 14.685 756 HG2 PRO 100 HG2 PRO 100 118.093 14.168 15.180 757 HG3 PRO 100 HG1 PRO 100 116.452 14.785 14.937 758 HD2 PRO 100 HD2 PRO 100 118.090 13.086 13.142 759 HD3 PRO 100 HD1 PRO 100 116.323 13.279 13.239 760 H SER 101 HN SER 101 117.899 18.667 12.363 761 HA SER 101 HA SER 101 119.565 18.598 10.019 762 HB2 SER 101 HB2 SER 101 119.971 20.989 10.514 763 HB3 SER 101 HB1 SER 101 118.259 20.586 10.613 764 HG SER 101 HG SER 101 119.897 20.413 12.894 765 H LEU 102 HN LEU 102 120.215 18.053 13.344 766 HA LEU 102 HA LEU 102 123.157 18.292 12.806 767 HB2 LEU 102 HB2 LEU 102 122.390 19.997 14.400 768 HB3 LEU 102 HB1 LEU 102 121.677 18.740 15.411 769 HG LEU 102 HG LEU 102 123.888 17.746 15.777 770 HD11 LEU 102 HD11 LEU 102 124.675 19.825 13.758 771 HD12 LEU 102 HD12 LEU 102 125.161 18.132 13.860 772 HD13 LEU 102 HD13 LEU 102 125.848 19.314 14.972 773 HD21 LEU 102 HD21 LEU 102 123.173 19.500 17.325 774 HD22 LEU 102 HD22 LEU 102 123.793 20.744 16.239 775 HD23 LEU 102 HD23 LEU 102 124.909 19.641 17.046 776 H ILE 103 HN ILE 103 124.333 16.456 13.117 777 HA ILE 103 HA ILE 103 123.272 14.343 14.906 778 HB ILE 103 HB ILE 103 124.153 13.793 12.055 779 HG12 ILE 103 HG12 ILE 103 121.397 13.621 13.321 780 HG13 ILE 103 HG11 ILE 103 121.916 14.872 12.192 781 HG21 ILE 103 HG21 ILE 103 124.656 12.028 13.786 782 HG22 ILE 103 HG22 ILE 103 123.535 11.495 12.532 783 HG23 ILE 103 HG23 ILE 103 122.927 11.944 14.126 784 HD11 ILE 103 HD11 ILE 103 121.156 12.072 11.665 785 HD12 ILE 103 HD12 ILE 103 122.604 12.605 10.808 786 HD13 ILE 103 HD13 ILE 103 121.091 13.476 10.609 787 H SER 104 HN SER 104 124.950 13.671 16.185 788 HA SER 104 HA SER 104 127.709 13.727 15.050 789 HB2 SER 104 HB2 SER 104 127.001 14.823 17.785 790 HB3 SER 104 HB1 SER 104 128.588 14.828 17.021 791 HG SER 104 HG SER 104 127.313 16.012 15.270 792 H ASP 105 HN ASP 105 126.382 11.380 15.232 793 HA ASP 105 HA ASP 105 127.792 10.042 17.466 794 HB2 ASP 105 HB2 ASP 105 125.488 10.526 18.280 795 HB3 ASP 105 HB1 ASP 105 124.841 9.623 16.909 796 H ASN 106 HN ASN 106 128.141 7.779 17.072 797 HA ASN 106 HA ASN 106 128.105 7.082 14.192 798 HB2 ASN 106 HB2 ASN 106 129.399 5.804 16.618 799 HB3 ASN 106 HB1 ASN 106 129.457 5.092 15.004 800 HD21 ASN 106 HD21 ASN 106 131.837 5.957 16.367 801 HD22 ASN 106 HD22 ASN 106 132.484 7.275 15.514 802 H TRP 107 HN TRP 107 125.603 7.126 15.737 803 HA TRP 107 HA TRP 107 124.833 4.507 16.558 804 HB2 TRP 107 HB2 TRP 107 122.554 5.323 16.497 805 HB3 TRP 107 HB1 TRP 107 123.590 6.610 17.109 806 HD1 TRP 107 HD1 TRP 107 124.557 8.271 14.953 807 HE1 TRP 107 HE1 TRP 107 123.123 9.327 13.110 808 HE3 TRP 107 HE3 TRP 107 120.458 5.231 15.182 809 HZ2 TRP 107 HZ2 TRP 107 120.566 8.953 11.888 810 HZ3 TRP 107 HZ3 TRP 107 118.539 5.618 13.666 811 HH2 TRP 107 HH2 TRP 107 118.583 7.464 12.028 812 H LYS 108 HN LYS 108 123.479 2.979 15.484 813 HA LYS 108 HA LYS 108 123.256 3.188 12.533 814 HB2 LYS 108 HB2 LYS 108 125.420 2.061 12.963 815 HB3 LYS 108 HB1 LYS 108 124.596 0.871 13.971 816 HG2 LYS 108 HG2 LYS 108 123.228 0.182 12.025 817 HG3 LYS 108 HG1 LYS 108 124.086 1.350 11.022 818 HD2 LYS 108 HD2 LYS 108 126.218 0.196 11.492 819 HD3 LYS 108 HD1 LYS 108 125.355 -0.983 12.480 820 HE2 LYS 108 HE2 LYS 108 125.832 -1.700 10.080 821 HE3 LYS 108 HE1 LYS 108 124.150 -1.825 10.593 822 HZ1 LYS 108 HZ1 LYS 108 123.521 -0.116 9.273 823 HZ2 LYS 108 HZ2 LYS 108 124.863 -0.624 8.363 824 HZ3 LYS 108 HZ3 LYS 108 124.999 0.703 9.414 825 H PHE 109 HN PHE 109 121.596 1.758 11.681 826 HA PHE 109 HA PHE 109 120.168 0.011 13.567 827 HB2 PHE 109 HB2 PHE 109 118.080 1.159 13.559 828 HB3 PHE 109 HB1 PHE 109 119.281 2.386 13.939 829 HD1 PHE 109 HD1 PHE 109 116.981 1.093 11.377 830 HD2 PHE 109 HD2 PHE 109 119.884 4.114 12.319 831 HE1 PHE 109 HE1 PHE 109 116.240 2.415 9.414 832 HE2 PHE 109 HE2 PHE 109 119.145 5.436 10.356 833 HZ PHE 109 HZ PHE 109 117.322 4.586 8.904 834 H PHE 110 HN PHE 110 118.355 -1.167 12.345 835 HA PHE 110 HA PHE 110 118.530 -0.956 9.418 836 HB2 PHE 110 HB2 PHE 110 119.124 -3.438 9.267 837 HB3 PHE 110 HB1 PHE 110 120.429 -2.357 9.758 838 HD1 PHE 110 HD2 PHE 110 120.889 -2.078 12.259 839 HD2 PHE 110 HD1 PHE 110 118.393 -5.195 10.675 840 HE1 PHE 110 HE2 PHE 110 121.145 -3.355 14.367 841 HE2 PHE 110 HE1 PHE 110 118.654 -6.473 12.789 842 HZ PHE 110 HZ PHE 110 120.031 -5.556 14.628 843 H CYS 111 HN CYS 111 117.009 -2.326 8.303 844 HA CYS 111 HA CYS 111 114.759 -3.328 10.011 845 HB2 CYS 111 HB2 CYS 111 114.658 -1.821 7.380 846 HB3 CYS 111 HB1 CYS 111 113.275 -2.680 8.054 847 H VAL 112 HN VAL 112 113.628 -5.198 9.027 848 HA VAL 112 HA VAL 112 115.265 -6.548 6.896 849 HB VAL 112 HB VAL 112 114.191 -7.704 9.463 850 HG11 VAL 112 HG11 VAL 112 115.077 -9.041 6.904 851 HG12 VAL 112 HG12 VAL 112 113.622 -9.347 7.852 852 HG13 VAL 112 HG13 VAL 112 115.195 -9.863 8.460 853 HG21 VAL 112 HG21 VAL 112 116.434 -6.607 9.479 854 HG22 VAL 112 HG22 VAL 112 116.946 -7.701 8.196 855 HG23 VAL 112 HG23 VAL 112 116.532 -8.341 9.785 856 H CYS 113 HN CYS 113 114.195 -7.658 5.360 857 HA CYS 113 HA CYS 113 111.211 -7.810 5.510 858 HB2 CYS 113 HB2 CYS 113 113.022 -7.084 3.196 859 HB3 CYS 113 HB1 CYS 113 111.390 -7.690 2.929 860 H SER 114 HN SER 114 110.466 -9.965 5.196 861 HA SER 114 HA SER 114 111.943 -11.843 3.570 862 HB2 SER 114 HB2 SER 114 112.795 -13.292 5.327 863 HB3 SER 114 HB1 SER 114 113.451 -11.674 5.548 864 HG SER 114 HG SER 114 111.840 -13.130 7.169 865 H LYS 115 HN LYS 115 111.214 -14.184 4.195 866 HA LYS 115 HA LYS 115 108.525 -14.388 5.352 867 HB2 LYS 115 HB2 LYS 115 109.083 -14.840 2.412 868 HB3 LYS 115 HB1 LYS 115 107.744 -15.640 3.233 869 HG2 LYS 115 HG2 LYS 115 107.087 -13.251 4.024 870 HG3 LYS 115 HG1 LYS 115 108.158 -12.700 2.739 871 HD2 LYS 115 HD2 LYS 115 105.709 -14.462 2.464 872 HD3 LYS 115 HD1 LYS 115 105.942 -12.847 1.796 873 HE2 LYS 115 HE2 LYS 115 106.394 -14.193 -0.059 874 HE3 LYS 115 HE1 LYS 115 108.010 -13.948 0.600 875 HZ1 LYS 115 HZ1 LYS 115 106.353 -16.229 1.465 876 HZ2 LYS 115 HZ2 LYS 115 108.043 -16.060 1.505 877 HZ3 LYS 115 HZ3 LYS 115 107.247 -16.315 0.025 878 H ASP 116 HN ASP 116 107.886 -16.805 5.338 879 HA ASP 116 HA ASP 116 110.027 -18.371 6.373 880 HB2 ASP 116 HB2 ASP 116 107.321 -19.146 5.258 881 HB3 ASP 116 HB1 ASP 116 108.427 -20.318 5.976 882 H ASN 117 HN ASN 117 111.159 -20.171 5.401 883 HA ASN 117 HA ASN 117 112.556 -20.918 3.623 884 HB2 ASN 117 HB2 ASN 117 110.405 -22.261 3.495 885 HB3 ASN 117 HB1 ASN 117 109.873 -21.147 2.235 886 HD21 ASN 117 HD21 ASN 117 110.083 -23.689 1.332 887 HD22 ASN 117 HD22 ASN 117 111.500 -23.926 0.428 888 H GLU 118 HN GLU 118 112.991 -18.332 3.486 889 HA GLU 118 HA GLU 118 113.027 -17.742 0.629 890 HB2 GLU 118 HB2 GLU 118 111.335 -16.157 2.554 891 HB3 GLU 118 HB1 GLU 118 111.998 -15.394 1.116 892 HG2 GLU 118 HG2 GLU 118 110.194 -17.827 1.156 893 HG3 GLU 118 HG1 GLU 118 109.721 -16.222 0.693 894 H LYS 119 HN LYS 119 114.761 -16.411 0.100 895 HA LYS 119 HA LYS 119 116.865 -16.012 1.921 896 HB2 LYS 119 HB2 LYS 119 116.180 -14.301 -0.500 897 HB3 LYS 119 HB1 LYS 119 117.761 -14.405 0.276 898 HG2 LYS 119 HG2 LYS 119 116.314 -16.770 -0.945 899 HG3 LYS 119 HG1 LYS 119 117.565 -15.842 -1.771 900 HD2 LYS 119 HD2 LYS 119 119.004 -16.337 0.344 901 HD3 LYS 119 HD1 LYS 119 117.825 -17.612 0.652 902 HE2 LYS 119 HE2 LYS 119 119.331 -18.793 -0.636 903 HE3 LYS 119 HE1 LYS 119 118.280 -18.176 -1.909 904 HZ1 LYS 119 HZ1 LYS 119 120.419 -16.398 -1.098 905 HZ2 LYS 119 HZ2 LYS 119 119.850 -16.780 -2.653 906 HZ3 LYS 119 HZ3 LYS 119 120.926 -17.828 -1.858 907 H LYS 120 HN LYS 120 117.404 -14.354 3.354 908 HA LYS 120 HA LYS 120 115.188 -12.494 4.006 909 HB2 LYS 120 HB2 LYS 120 116.808 -11.958 5.970 910 HB3 LYS 120 HB1 LYS 120 115.973 -13.508 5.962 911 HG2 LYS 120 HG2 LYS 120 117.947 -14.587 4.966 912 HG3 LYS 120 HG1 LYS 120 118.782 -13.038 4.935 913 HD2 LYS 120 HD2 LYS 120 117.674 -14.137 7.508 914 HD3 LYS 120 HD1 LYS 120 119.258 -14.642 6.926 915 HE2 LYS 120 HE2 LYS 120 119.870 -12.190 6.754 916 HE3 LYS 120 HE1 LYS 120 118.361 -11.823 7.586 917 HZ1 LYS 120 HZ1 LYS 120 119.573 -13.815 9.054 918 HZ2 LYS 120 HZ2 LYS 120 119.420 -12.176 9.474 919 HZ3 LYS 120 HZ3 LYS 120 120.812 -12.723 8.669 920 H LEU 121 HN LEU 121 115.320 -10.281 3.822 921 HA LEU 121 HA LEU 121 117.774 -9.201 2.486 922 HB2 LEU 121 HB2 LEU 121 114.959 -8.062 2.495 923 HB3 LEU 121 HB1 LEU 121 116.326 -7.476 1.548 924 HG LEU 121 HG LEU 121 115.172 -10.269 1.303 925 HD11 LEU 121 HD11 LEU 121 114.458 -9.229 -0.997 926 HD12 LEU 121 HD12 LEU 121 114.586 -7.692 -0.140 927 HD13 LEU 121 HD13 LEU 121 113.463 -8.928 0.427 928 HD21 LEU 121 HD21 LEU 121 116.476 -10.041 -0.921 929 HD22 LEU 121 HD22 LEU 121 117.416 -10.305 0.540 930 HD23 LEU 121 HD23 LEU 121 117.291 -8.687 -0.152 931 H VAL 122 HN VAL 122 119.014 -7.880 3.786 932 HA VAL 122 HA VAL 122 117.694 -6.697 6.192 933 HB VAL 122 HB VAL 122 120.573 -7.391 5.571 934 HG11 VAL 122 HG11 VAL 122 119.379 -5.591 7.662 935 HG12 VAL 122 HG12 VAL 122 120.870 -5.389 6.741 936 HG13 VAL 122 HG13 VAL 122 120.801 -6.556 8.061 937 HG21 VAL 122 HG21 VAL 122 120.307 -9.108 7.077 938 HG22 VAL 122 HG22 VAL 122 118.624 -8.979 6.573 939 HG23 VAL 122 HG23 VAL 122 119.156 -8.211 8.068 940 H PHE 123 HN PHE 123 117.461 -4.543 6.312 941 HA PHE 123 HA PHE 123 118.859 -2.822 4.304 942 HB2 PHE 123 HB2 PHE 123 116.501 -2.541 4.088 943 HB3 PHE 123 HB1 PHE 123 116.256 -2.558 5.832 944 HD1 PHE 123 HD1 PHE 123 117.472 -0.561 2.966 945 HD2 PHE 123 HD2 PHE 123 116.629 -0.587 7.177 946 HE1 PHE 123 HE1 PHE 123 117.660 1.899 3.026 947 HE2 PHE 123 HE2 PHE 123 116.822 1.885 7.232 948 HZ PHE 123 HZ PHE 123 117.340 3.134 5.152 949 H THR 124 HN THR 124 120.598 -1.710 5.199 950 HA THR 124 HA THR 124 120.330 -0.842 8.052 951 HB THR 124 HB THR 124 121.701 -2.974 7.760 952 HG1 THR 124 HG1 THR 124 122.382 -2.222 9.578 953 HG21 THR 124 HG21 THR 124 123.777 -1.043 6.718 954 HG22 THR 124 HG22 THR 124 122.816 -2.067 5.652 955 HG23 THR 124 HG23 THR 124 123.895 -2.797 6.837 956 H VAL 125 HN VAL 125 121.162 1.109 8.566 957 HA VAL 125 HA VAL 125 122.857 2.521 6.569 958 HB VAL 125 HB VAL 125 121.531 4.496 6.614 959 HG11 VAL 125 HG11 VAL 125 120.591 2.356 5.420 960 HG12 VAL 125 HG12 VAL 125 119.568 3.785 5.564 961 HG13 VAL 125 HG13 VAL 125 119.349 2.428 6.670 962 HG21 VAL 125 HG21 VAL 125 120.097 3.165 8.927 963 HG22 VAL 125 HG22 VAL 125 119.472 4.597 8.107 964 HG23 VAL 125 HG23 VAL 125 121.016 4.671 8.953 965 H GLU 126 HN GLU 126 124.136 4.263 7.618 966 HA GLU 126 HA GLU 126 124.171 4.094 10.606 967 HB2 GLU 126 HB2 GLU 126 125.921 2.587 9.704 968 HB3 GLU 126 HB1 GLU 126 126.611 3.942 8.809 969 HG2 GLU 126 HG2 GLU 126 127.052 5.138 10.897 970 HG3 GLU 126 HG1 GLU 126 126.292 3.843 11.822 971 H ALA 127 HN ALA 127 125.133 5.951 11.640 972 HA ALA 127 HA ALA 127 125.999 8.235 10.046 973 HB1 ALA 127 HB1 ALA 127 124.061 9.643 11.165 974 HB2 ALA 127 HB2 ALA 127 123.223 8.090 11.178 975 HB3 ALA 127 HB3 ALA 127 123.770 8.784 9.650 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 117.181 15.419 -7.983 2 H2 GLU 1 HT2 GLU 1 116.990 13.740 -8.163 3 H3 GLU 1 HT3 GLU 1 118.432 14.371 -7.522 4 HA GLU 1 HA GLU 1 117.584 14.667 -5.473 5 HB2 GLU 1 HB2 GLU 1 114.930 15.170 -6.854 6 HB3 GLU 1 HB1 GLU 1 115.183 15.261 -5.110 7 HG2 GLU 1 HG2 GLU 1 116.673 16.921 -7.165 8 HG3 GLU 1 HG1 GLU 1 115.322 17.498 -6.189 9 H LYS 2 HN LYS 2 117.766 12.656 -4.598 10 HA LYS 2 HA LYS 2 115.544 10.734 -5.080 11 HB2 LYS 2 HB2 LYS 2 118.503 10.120 -5.294 12 HB3 LYS 2 HB1 LYS 2 117.250 8.883 -5.177 13 HG2 LYS 2 HG2 LYS 2 116.175 9.781 -7.216 14 HG3 LYS 2 HG1 LYS 2 117.439 11.004 -7.338 15 HD2 LYS 2 HD2 LYS 2 119.142 9.243 -7.569 16 HD3 LYS 2 HD1 LYS 2 117.892 8.007 -7.420 17 HE2 LYS 2 HE2 LYS 2 116.788 8.864 -9.452 18 HE3 LYS 2 HE1 LYS 2 118.031 10.108 -9.604 19 HZ1 LYS 2 HZ1 LYS 2 118.907 7.328 -9.379 20 HZ2 LYS 2 HZ2 LYS 2 119.588 8.614 -10.258 21 HZ3 LYS 2 HZ3 LYS 2 118.211 7.811 -10.848 22 H VAL 3 HN VAL 3 115.347 9.140 -3.337 23 HA VAL 3 HA VAL 3 116.233 10.285 -0.750 24 HB VAL 3 HB VAL 3 114.238 8.109 -1.439 25 HG11 VAL 3 HG11 VAL 3 114.911 7.487 0.697 26 HG12 VAL 3 HG12 VAL 3 113.627 8.633 1.077 27 HG13 VAL 3 HG13 VAL 3 115.315 9.134 1.167 28 HG21 VAL 3 HG21 VAL 3 113.599 10.731 -0.126 29 HG22 VAL 3 HG22 VAL 3 112.574 9.708 -1.129 30 HG23 VAL 3 HG23 VAL 3 113.840 10.683 -1.872 31 H LYS 4 HN LYS 4 117.721 9.261 0.559 32 HA LYS 4 HA LYS 4 119.285 7.087 -0.525 33 HB2 LYS 4 HB2 LYS 4 119.166 8.147 2.318 34 HB3 LYS 4 HB1 LYS 4 120.416 7.086 1.673 35 HG2 LYS 4 HG2 LYS 4 119.789 9.844 0.583 36 HG3 LYS 4 HG1 LYS 4 121.102 9.490 1.706 37 HD2 LYS 4 HD2 LYS 4 121.832 7.717 -0.048 38 HD3 LYS 4 HD1 LYS 4 120.792 8.609 -1.159 39 HE2 LYS 4 HE2 LYS 4 123.012 9.867 0.469 40 HE3 LYS 4 HE1 LYS 4 123.165 9.382 -1.219 41 HZ1 LYS 4 HZ1 LYS 4 122.586 11.607 -1.337 42 HZ2 LYS 4 HZ2 LYS 4 121.478 11.502 -0.054 43 HZ3 LYS 4 HZ3 LYS 4 121.100 10.823 -1.564 44 H GLY 5 HN GLY 5 118.743 4.971 -0.500 45 HA2 GLY 5 HA2 GLY 5 117.734 3.588 1.762 46 HA3 GLY 5 HA1 GLY 5 116.366 4.005 0.736 47 H CYS 6 HN CYS 6 116.590 1.420 0.907 48 HA CYS 6 HA CYS 6 118.125 0.546 -1.517 49 HB2 CYS 6 HB2 CYS 6 118.734 -0.361 0.855 50 HB3 CYS 6 HB1 CYS 6 117.277 -1.333 0.672 51 H ASP 7 HN ASP 7 116.902 -0.262 -3.137 52 HA ASP 7 HA ASP 7 114.013 -0.790 -2.577 53 HB2 ASP 7 HB2 ASP 7 114.715 0.962 -4.304 54 HB3 ASP 7 HB1 ASP 7 115.281 -0.387 -5.292 55 H PHE 8 HN PHE 8 113.733 -2.951 -2.210 56 HA PHE 8 HA PHE 8 115.418 -4.918 -3.636 57 HB2 PHE 8 HB2 PHE 8 113.251 -5.231 -1.536 58 HB3 PHE 8 HB1 PHE 8 114.157 -6.574 -2.230 59 HD1 PHE 8 HD2 PHE 8 116.605 -6.771 -1.838 60 HD2 PHE 8 HD1 PHE 8 114.235 -3.740 0.071 61 HE1 PHE 8 HE2 PHE 8 118.425 -6.372 -0.202 62 HE2 PHE 8 HE1 PHE 8 116.057 -3.343 1.706 63 HZ PHE 8 HZ PHE 8 118.153 -4.660 1.568 64 H THR 9 HN THR 9 112.750 -3.184 -4.390 65 HA THR 9 HA THR 9 111.349 -5.425 -5.764 66 HB THR 9 HB THR 9 110.447 -2.550 -5.485 67 HG1 THR 9 HG1 THR 9 110.760 -3.573 -3.453 68 HG21 THR 9 HG21 THR 9 109.336 -3.866 -7.243 69 HG22 THR 9 HG22 THR 9 108.227 -3.541 -5.912 70 HG23 THR 9 HG23 THR 9 108.972 -5.132 -6.070 71 H THR 10 HN THR 10 113.464 -2.766 -6.415 72 HA THR 10 HA THR 10 113.356 -3.413 -9.281 73 HB THR 10 HB THR 10 112.699 -0.614 -8.320 74 HG1 THR 10 HG1 THR 10 111.187 -2.804 -9.058 75 HG21 THR 10 HG21 THR 10 113.880 -0.418 -10.364 76 HG22 THR 10 HG22 THR 10 112.180 -0.375 -10.829 77 HG23 THR 10 HG23 THR 10 113.114 -1.856 -11.039 78 H SER 11 HN SER 11 115.434 -3.359 -10.019 79 HA SER 11 HA SER 11 117.594 -2.419 -8.393 80 HB2 SER 11 HB2 SER 11 117.559 -4.100 -10.424 81 HB3 SER 11 HB1 SER 11 117.832 -2.652 -11.382 82 HG SER 11 HG SER 11 119.538 -4.034 -9.792 83 H GLU 12 HN GLU 12 115.586 -0.903 -10.818 84 HA GLU 12 HA GLU 12 117.236 1.588 -10.608 85 HB2 GLU 12 HB2 GLU 12 115.296 0.674 -12.758 86 HB3 GLU 12 HB1 GLU 12 116.090 2.248 -12.731 87 HG2 GLU 12 HG2 GLU 12 117.547 -0.412 -12.760 88 HG3 GLU 12 HG1 GLU 12 117.283 0.602 -14.179 89 H SER 13 HN SER 13 116.010 1.797 -8.478 90 HA SER 13 HA SER 13 113.169 2.217 -8.490 91 HB2 SER 13 HB2 SER 13 114.450 1.712 -6.437 92 HB3 SER 13 HB1 SER 13 115.258 3.271 -6.562 93 HG SER 13 HG SER 13 112.482 2.770 -6.216 94 H THR 14 HN THR 14 112.008 4.182 -8.407 95 HA THR 14 HA THR 14 113.386 6.453 -9.764 96 HB THR 14 HB THR 14 111.418 5.931 -10.952 97 HG1 THR 14 HG1 THR 14 109.997 7.628 -9.397 98 HG21 THR 14 HG21 THR 14 110.352 4.321 -9.607 99 HG22 THR 14 HG22 THR 14 109.209 5.665 -9.605 100 HG23 THR 14 HG23 THR 14 110.267 5.405 -8.218 101 H ILE 15 HN ILE 15 112.747 5.425 -6.720 102 HA ILE 15 HA ILE 15 112.490 8.222 -5.691 103 HB ILE 15 HB ILE 15 111.339 7.166 -3.693 104 HG12 ILE 15 HG12 ILE 15 110.989 4.843 -5.607 105 HG13 ILE 15 HG11 ILE 15 112.148 4.843 -4.281 106 HG21 ILE 15 HG21 ILE 15 110.113 8.380 -5.473 107 HG22 ILE 15 HG22 ILE 15 109.164 7.035 -4.840 108 HG23 ILE 15 HG23 ILE 15 109.983 6.881 -6.394 109 HD11 ILE 15 HD11 ILE 15 109.891 3.771 -3.767 110 HD12 ILE 15 HD12 ILE 15 109.203 5.391 -3.870 111 HD13 ILE 15 HD13 ILE 15 110.412 5.025 -2.641 112 H PHE 16 HN PHE 16 114.156 5.169 -5.550 113 HA PHE 16 HA PHE 16 115.793 6.205 -3.264 114 HB2 PHE 16 HB2 PHE 16 115.204 3.380 -4.166 115 HB3 PHE 16 HB1 PHE 16 116.483 3.770 -3.017 116 HD1 PHE 16 HD2 PHE 16 115.760 5.321 -0.999 117 HD2 PHE 16 HD1 PHE 16 113.049 2.973 -3.361 118 HE1 PHE 16 HE2 PHE 16 114.089 5.395 0.836 119 HE2 PHE 16 HE1 PHE 16 111.378 3.076 -1.538 120 HZ PHE 16 HZ PHE 16 111.897 4.278 0.562 121 H SER 17 HN SER 17 117.988 6.342 -3.503 122 HA SER 17 HA SER 17 119.035 6.450 -6.207 123 HB2 SER 17 HB2 SER 17 120.207 6.870 -3.473 124 HB3 SER 17 HB1 SER 17 121.250 6.809 -4.890 125 HG SER 17 HG SER 17 118.973 8.372 -5.102 126 H LYS 18 HN LYS 18 118.903 3.948 -3.808 127 HA LYS 18 HA LYS 18 120.777 2.325 -5.503 128 HB2 LYS 18 HB2 LYS 18 121.731 3.075 -3.256 129 HB3 LYS 18 HB1 LYS 18 120.528 2.022 -2.510 130 HG2 LYS 18 HG2 LYS 18 121.414 0.088 -3.696 131 HG3 LYS 18 HG1 LYS 18 122.545 1.112 -4.583 132 HD2 LYS 18 HD2 LYS 18 123.621 1.761 -2.451 133 HD3 LYS 18 HD1 LYS 18 122.512 0.702 -1.579 134 HE2 LYS 18 HE2 LYS 18 124.363 -0.261 -3.775 135 HE3 LYS 18 HE1 LYS 18 124.762 -0.335 -2.059 136 HZ1 LYS 18 HZ1 LYS 18 122.452 -1.638 -3.392 137 HZ2 LYS 18 HZ2 LYS 18 122.727 -1.637 -1.715 138 HZ3 LYS 18 HZ3 LYS 18 123.821 -2.413 -2.757 139 H GLY 19 HN GLY 19 120.120 0.260 -5.969 140 HA2 GLY 19 HA2 GLY 19 117.910 -0.980 -4.480 141 HA3 GLY 19 HA1 GLY 19 117.522 -0.545 -6.145 142 H TYR 20 HN TYR 20 117.483 -3.219 -5.358 143 HA TYR 20 HA TYR 20 119.945 -4.328 -6.664 144 HB2 TYR 20 HB2 TYR 20 118.188 -5.411 -4.463 145 HB3 TYR 20 HB1 TYR 20 119.221 -6.472 -5.419 146 HD1 TYR 20 HD1 TYR 20 119.303 -3.357 -3.344 147 HD2 TYR 20 HD2 TYR 20 121.494 -6.714 -4.889 148 HE1 TYR 20 HE1 TYR 20 121.251 -2.736 -1.939 149 HE2 TYR 20 HE2 TYR 20 123.441 -6.091 -3.486 150 HH TYR 20 HH TYR 20 123.669 -4.708 -1.174 151 H SER 21 HN SER 21 119.598 -6.154 -8.086 152 HA SER 21 HA SER 21 116.955 -6.036 -9.430 153 HB2 SER 21 HB2 SER 21 119.008 -5.845 -10.813 154 HB3 SER 21 HB1 SER 21 119.525 -7.429 -10.246 155 HG SER 21 HG SER 21 117.122 -7.827 -11.065 156 H ILE 22 HN ILE 22 115.746 -7.985 -9.841 157 HA ILE 22 HA ILE 22 115.591 -9.775 -7.651 158 HB ILE 22 HB ILE 22 114.126 -11.146 -9.094 159 HG12 ILE 22 HG12 ILE 22 114.898 -9.188 -11.279 160 HG13 ILE 22 HG11 ILE 22 115.507 -10.840 -11.175 161 HG21 ILE 22 HG21 ILE 22 112.425 -9.496 -9.365 162 HG22 ILE 22 HG22 ILE 22 113.607 -8.210 -9.602 163 HG23 ILE 22 HG23 ILE 22 113.410 -8.943 -8.010 164 HD11 ILE 22 HD11 ILE 22 113.664 -11.045 -12.621 165 HD12 ILE 22 HD12 ILE 22 112.691 -9.906 -11.688 166 HD13 ILE 22 HD13 ILE 22 113.004 -11.523 -11.056 167 H ASN 23 HN ASN 23 117.512 -9.879 -10.572 168 HA ASN 23 HA ASN 23 118.219 -12.675 -10.411 169 HB2 ASN 23 HB2 ASN 23 118.494 -11.163 -12.442 170 HB3 ASN 23 HB1 ASN 23 119.897 -10.470 -11.630 171 HD21 ASN 23 HD21 ASN 23 121.525 -11.357 -13.023 172 HD22 ASN 23 HD22 ASN 23 121.806 -13.025 -13.162 173 H GLU 24 HN GLU 24 119.721 -9.684 -9.179 174 HA GLU 24 HA GLU 24 122.115 -10.844 -8.210 175 HB2 GLU 24 HB2 GLU 24 120.493 -8.494 -7.201 176 HB3 GLU 24 HB1 GLU 24 122.097 -8.901 -6.589 177 HG2 GLU 24 HG2 GLU 24 123.063 -8.632 -8.807 178 HG3 GLU 24 HG1 GLU 24 121.468 -8.363 -9.507 179 H ILE 25 HN ILE 25 118.973 -10.403 -6.545 180 HA ILE 25 HA ILE 25 119.893 -11.598 -4.084 181 HB ILE 25 HB ILE 25 117.477 -11.818 -3.543 182 HG12 ILE 25 HG12 ILE 25 117.084 -10.767 -6.351 183 HG13 ILE 25 HG11 ILE 25 116.752 -12.424 -5.854 184 HG21 ILE 25 HG21 ILE 25 117.990 -9.170 -4.908 185 HG22 ILE 25 HG22 ILE 25 118.805 -9.627 -3.413 186 HG23 ILE 25 HG23 ILE 25 117.048 -9.478 -3.449 187 HD11 ILE 25 HD11 ILE 25 115.295 -9.903 -5.122 188 HD12 ILE 25 HD12 ILE 25 115.291 -11.256 -3.992 189 HD13 ILE 25 HD13 ILE 25 114.639 -11.463 -5.618 190 H SER 26 HN SER 26 119.468 -12.971 -7.102 191 HA SER 26 HA SER 26 118.831 -15.652 -5.928 192 HB2 SER 26 HB2 SER 26 118.295 -16.325 -8.242 193 HB3 SER 26 HB1 SER 26 117.326 -14.942 -7.742 194 HG SER 26 HG SER 26 118.418 -14.848 -9.872 195 H ASN 27 HN ASN 27 121.099 -13.874 -7.960 196 HA ASN 27 HA ASN 27 122.800 -15.969 -8.782 197 HB2 ASN 27 HB2 ASN 27 123.478 -13.131 -7.960 198 HB3 ASN 27 HB1 ASN 27 124.645 -14.229 -8.699 199 HD21 ASN 27 HD21 ASN 27 123.788 -11.793 -9.994 200 HD22 ASN 27 HD22 ASN 27 122.926 -12.221 -11.392 201 H LYS 28 HN LYS 28 122.474 -17.352 -6.780 202 HA LYS 28 HA LYS 28 123.501 -16.774 -4.239 203 HB2 LYS 28 HB2 LYS 28 123.475 -19.383 -5.776 204 HB3 LYS 28 HB1 LYS 28 123.912 -19.271 -4.072 205 HG2 LYS 28 HG2 LYS 28 121.709 -18.279 -3.568 206 HG3 LYS 28 HG1 LYS 28 121.271 -18.388 -5.273 207 HD2 LYS 28 HD2 LYS 28 121.556 -20.847 -5.183 208 HD3 LYS 28 HD1 LYS 28 121.950 -20.726 -3.468 209 HE2 LYS 28 HE2 LYS 28 119.736 -19.748 -3.018 210 HE3 LYS 28 HE1 LYS 28 119.338 -19.843 -4.732 211 HZ1 LYS 28 HZ1 LYS 28 119.412 -22.184 -4.668 212 HZ2 LYS 28 HZ2 LYS 28 118.500 -21.712 -3.315 213 HZ3 LYS 28 HZ3 LYS 28 120.114 -22.207 -3.125 214 H SER 29 HN SER 29 125.446 -15.570 -4.356 215 HA SER 29 HA SER 29 127.850 -17.204 -4.992 216 HB2 SER 29 HB2 SER 29 128.044 -15.986 -6.917 217 HB3 SER 29 HB1 SER 29 126.978 -14.711 -6.334 218 HG SER 29 HG SER 29 129.674 -15.162 -5.553 219 H SER 30 HN SER 30 127.719 -13.753 -4.310 220 HA SER 30 HA SER 30 129.525 -14.007 -2.074 221 HB2 SER 30 HB2 SER 30 129.461 -11.679 -1.963 222 HB3 SER 30 HB1 SER 30 129.004 -11.953 -3.642 223 HG SER 30 HG SER 30 126.814 -11.831 -2.956 224 H ASN 31 HN ASN 31 128.784 -12.825 0.102 225 HA ASN 31 HA ASN 31 127.016 -14.524 1.464 226 HB2 ASN 31 HB2 ASN 31 126.943 -12.821 3.218 227 HB3 ASN 31 HB1 ASN 31 128.576 -12.905 2.556 228 HD21 ASN 31 HD21 ASN 31 128.586 -10.572 3.516 229 HD22 ASN 31 HD22 ASN 31 128.050 -9.326 2.497 230 H ASN 32 HN ASN 32 126.265 -12.091 -0.814 231 HA ASN 32 HA ASN 32 123.638 -11.374 0.140 232 HB2 ASN 32 HB2 ASN 32 124.976 -11.242 -2.564 233 HB3 ASN 32 HB1 ASN 32 123.297 -10.761 -2.347 234 HD21 ASN 32 HD21 ASN 32 125.298 -8.853 -3.098 235 HD22 ASN 32 HD22 ASN 32 125.509 -7.764 -1.813 236 H GLN 33 HN GLN 33 124.636 -14.353 -0.449 237 HA GLN 33 HA GLN 33 122.406 -15.230 -2.184 238 HB2 GLN 33 HB2 GLN 33 123.441 -17.430 -2.065 239 HB3 GLN 33 HB1 GLN 33 124.699 -16.237 -2.391 240 HG2 GLN 33 HG2 GLN 33 125.209 -16.177 0.056 241 HG3 GLN 33 HG1 GLN 33 124.040 -17.474 0.296 242 HE21 GLN 33 HE21 GLN 33 126.025 -18.721 1.084 243 HE22 GLN 33 HE22 GLN 33 127.000 -19.484 -0.075 244 H GLN 34 HN GLN 34 122.898 -14.597 1.083 245 HA GLN 34 HA GLN 34 120.504 -16.247 1.766 246 HB2 GLN 34 HB2 GLN 34 121.527 -16.947 3.878 247 HB3 GLN 34 HB1 GLN 34 122.529 -17.474 2.526 248 HG2 GLN 34 HG2 GLN 34 123.963 -15.465 2.838 249 HG3 GLN 34 HG1 GLN 34 122.993 -15.015 4.241 250 HE21 GLN 34 HE21 GLN 34 124.388 -15.442 5.990 251 HE22 GLN 34 HE22 GLN 34 125.146 -16.936 6.260 252 H ASP 35 HN ASP 35 122.610 -13.516 2.483 253 HA ASP 35 HA ASP 35 120.292 -12.198 3.832 254 HB2 ASP 35 HB2 ASP 35 123.160 -12.270 4.822 255 HB3 ASP 35 HB1 ASP 35 121.913 -11.207 5.474 256 H ILE 36 HN ILE 36 119.852 -10.462 2.529 257 HA ILE 36 HA ILE 36 122.078 -9.182 1.050 258 HB ILE 36 HB ILE 36 119.152 -8.406 0.969 259 HG12 ILE 36 HG12 ILE 36 119.289 -10.813 0.522 260 HG13 ILE 36 HG11 ILE 36 118.965 -9.948 -0.979 261 HG21 ILE 36 HG21 ILE 36 119.828 -7.733 -1.365 262 HG22 ILE 36 HG22 ILE 36 121.491 -8.129 -0.938 263 HG23 ILE 36 HG23 ILE 36 120.654 -6.826 -0.095 264 HD11 ILE 36 HD11 ILE 36 121.389 -11.438 -0.137 265 HD12 ILE 36 HD12 ILE 36 121.673 -9.955 -1.041 266 HD13 ILE 36 HD13 ILE 36 120.694 -11.239 -1.741 267 H VAL 37 HN VAL 37 123.107 -7.482 1.988 268 HA VAL 37 HA VAL 37 121.581 -5.881 4.012 269 HB VAL 37 HB VAL 37 124.525 -6.527 3.796 270 HG11 VAL 37 HG11 VAL 37 124.481 -4.234 4.423 271 HG12 VAL 37 HG12 VAL 37 124.610 -5.113 5.946 272 HG13 VAL 37 HG13 VAL 37 123.054 -4.457 5.437 273 HG21 VAL 37 HG21 VAL 37 122.680 -6.875 6.162 274 HG22 VAL 37 HG22 VAL 37 124.215 -7.681 5.839 275 HG23 VAL 37 HG23 VAL 37 122.783 -8.104 4.901 276 H CYS 38 HN CYS 38 121.154 -3.825 3.423 277 HA CYS 38 HA CYS 38 122.745 -2.640 1.189 278 HB2 CYS 38 HB2 CYS 38 120.084 -1.801 2.395 279 HB3 CYS 38 HB1 CYS 38 120.890 -1.000 1.046 280 H THR 39 HN THR 39 124.532 -1.708 2.202 281 HA THR 39 HA THR 39 124.083 -0.154 4.684 282 HB THR 39 HB THR 39 126.632 -0.889 3.210 283 HG1 THR 39 HG1 THR 39 125.959 -1.784 5.760 284 HG21 THR 39 HG21 THR 39 126.065 0.732 5.676 285 HG22 THR 39 HG22 THR 39 127.200 1.061 4.367 286 HG23 THR 39 HG23 THR 39 127.563 -0.190 5.555 287 H VAL 40 HN VAL 40 123.701 1.975 4.537 288 HA VAL 40 HA VAL 40 125.067 3.531 2.389 289 HB VAL 40 HB VAL 40 122.932 4.779 1.964 290 HG11 VAL 40 HG11 VAL 40 123.702 2.917 0.492 291 HG12 VAL 40 HG12 VAL 40 121.944 3.058 0.537 292 HG13 VAL 40 HG13 VAL 40 122.752 1.792 1.463 293 HG21 VAL 40 HG21 VAL 40 120.828 3.825 2.739 294 HG22 VAL 40 HG22 VAL 40 121.861 4.124 4.137 295 HG23 VAL 40 HG23 VAL 40 121.679 2.486 3.508 296 H LYS 41 HN LYS 41 125.292 5.803 2.949 297 HA LYS 41 HA LYS 41 125.157 6.233 5.892 298 HB2 LYS 41 HB2 LYS 41 126.606 7.735 3.691 299 HB3 LYS 41 HB1 LYS 41 126.631 8.199 5.392 300 HG2 LYS 41 HG2 LYS 41 128.539 6.891 5.331 301 HG3 LYS 41 HG1 LYS 41 127.350 5.648 5.714 302 HD2 LYS 41 HD2 LYS 41 127.180 5.013 3.374 303 HD3 LYS 41 HD1 LYS 41 128.232 6.347 2.898 304 HE2 LYS 41 HE2 LYS 41 129.536 4.294 2.968 305 HE3 LYS 41 HE1 LYS 41 130.051 5.349 4.285 306 HZ1 LYS 41 HZ1 LYS 41 128.296 2.969 4.436 307 HZ2 LYS 41 HZ2 LYS 41 128.407 4.100 5.699 308 HZ3 LYS 41 HZ3 LYS 41 129.780 3.224 5.216 309 H ALA 42 HN ALA 42 123.768 7.703 6.770 310 HA ALA 42 HA ALA 42 121.956 9.126 4.887 311 HB1 ALA 42 HB1 ALA 42 120.934 7.713 6.647 312 HB2 ALA 42 HB2 ALA 42 120.499 9.410 6.836 313 HB3 ALA 42 HB3 ALA 42 121.726 8.695 7.882 314 H HIS 43 HN HIS 43 121.378 11.396 5.414 315 HA HIS 43 HA HIS 43 123.501 12.838 6.944 316 HB2 HIS 43 HB2 HIS 43 123.802 12.822 4.355 317 HB3 HIS 43 HB1 HIS 43 122.430 13.931 4.347 318 HD1 HIS 43 HD1 HIS 43 125.857 13.609 5.984 319 HD2 HIS 43 HD2 HIS 43 123.120 16.557 4.885 320 HE1 HIS 43 HE1 HIS 43 126.979 15.835 6.440 321 HE2 HIS 43 HE2 HIS 43 125.321 17.636 5.774 322 H ALA 44 HN ALA 44 122.795 14.848 7.823 323 HA ALA 44 HA ALA 44 120.187 14.951 8.854 324 HB1 ALA 44 HB1 ALA 44 122.486 16.728 8.733 325 HB2 ALA 44 HB2 ALA 44 121.267 16.589 9.997 326 HB3 ALA 44 HB3 ALA 44 120.989 17.649 8.616 327 H ASN 45 HN ASN 45 121.327 15.930 5.712 328 HA ASN 45 HA ASN 45 118.724 17.259 5.142 329 HB2 ASN 45 HB2 ASN 45 120.904 18.398 4.545 330 HB3 ASN 45 HB1 ASN 45 121.176 17.110 3.369 331 HD21 ASN 45 HD21 ASN 45 121.001 18.701 1.591 332 HD22 ASN 45 HD22 ASN 45 119.486 19.307 1.124 333 H ASP 46 HN ASP 46 120.631 14.436 4.381 334 HA ASP 46 HA ASP 46 119.136 13.683 2.016 335 HB2 ASP 46 HB2 ASP 46 121.028 12.231 3.865 336 HB3 ASP 46 HB1 ASP 46 120.199 11.393 2.557 337 H LEU 47 HN LEU 47 117.244 12.518 1.891 338 HA LEU 47 HA LEU 47 115.775 11.996 4.369 339 HB2 LEU 47 HB2 LEU 47 115.099 11.362 1.477 340 HB3 LEU 47 HB1 LEU 47 113.990 11.191 2.838 341 HG LEU 47 HG LEU 47 115.320 13.786 2.010 342 HD11 LEU 47 HD11 LEU 47 112.465 12.831 1.621 343 HD12 LEU 47 HD12 LEU 47 113.672 12.977 0.342 344 HD13 LEU 47 HD13 LEU 47 113.094 14.419 1.179 345 HD21 LEU 47 HD21 LEU 47 113.240 14.523 3.527 346 HD22 LEU 47 HD22 LEU 47 114.808 14.140 4.234 347 HD23 LEU 47 HD23 LEU 47 113.519 12.936 4.244 348 H ILE 48 HN ILE 48 115.186 9.872 5.129 349 HA ILE 48 HA ILE 48 116.806 7.654 3.912 350 HB ILE 48 HB ILE 48 116.790 6.685 6.255 351 HG12 ILE 48 HG12 ILE 48 116.141 9.489 7.154 352 HG13 ILE 48 HG11 ILE 48 114.854 8.313 6.903 353 HG21 ILE 48 HG21 ILE 48 118.560 8.258 7.070 354 HG22 ILE 48 HG22 ILE 48 118.126 9.363 5.765 355 HG23 ILE 48 HG23 ILE 48 118.786 7.771 5.391 356 HD11 ILE 48 HD11 ILE 48 117.266 7.689 8.608 357 HD12 ILE 48 HD12 ILE 48 115.716 6.849 8.561 358 HD13 ILE 48 HD13 ILE 48 115.825 8.458 9.274 359 H GLY 49 HN GLY 49 115.773 5.723 3.562 360 HA2 GLY 49 HA2 GLY 49 113.356 4.841 4.779 361 HA3 GLY 49 HA1 GLY 49 112.915 5.706 3.306 362 H PHE 50 HN PHE 50 112.154 3.312 2.898 363 HA PHE 50 HA PHE 50 113.937 2.190 0.932 364 HB2 PHE 50 HB2 PHE 50 114.497 0.085 1.998 365 HB3 PHE 50 HB1 PHE 50 115.058 1.402 3.029 366 HD1 PHE 50 HD2 PHE 50 113.943 1.923 5.141 367 HD2 PHE 50 HD1 PHE 50 112.573 -1.282 2.631 368 HE1 PHE 50 HE2 PHE 50 112.568 1.046 7.010 369 HE2 PHE 50 HE1 PHE 50 111.200 -2.159 4.500 370 HZ PHE 50 HZ PHE 50 111.199 -0.998 6.689 371 H LYS 51 HN LYS 51 113.019 -0.053 0.200 372 HA LYS 51 HA LYS 51 110.121 -0.312 0.788 373 HB2 LYS 51 HB2 LYS 51 110.187 1.233 -1.088 374 HB3 LYS 51 HB1 LYS 51 111.245 0.153 -1.991 375 HG2 LYS 51 HG2 LYS 51 109.457 -1.577 -1.962 376 HG3 LYS 51 HG1 LYS 51 108.406 -0.449 -1.108 377 HD2 LYS 51 HD2 LYS 51 109.676 0.285 -3.741 378 HD3 LYS 51 HD1 LYS 51 108.159 -0.611 -3.677 379 HE2 LYS 51 HE2 LYS 51 107.249 1.212 -2.180 380 HE3 LYS 51 HE1 LYS 51 108.712 2.134 -2.521 381 HZ1 LYS 51 HZ1 LYS 51 108.062 2.580 -4.603 382 HZ2 LYS 51 HZ2 LYS 51 106.505 2.279 -3.991 383 HZ3 LYS 51 HZ3 LYS 51 107.339 1.062 -4.835 384 H CYS 52 HN CYS 52 109.348 -2.409 0.434 385 HA CYS 52 HA CYS 52 111.337 -4.414 -0.547 386 HB2 CYS 52 HB2 CYS 52 109.383 -4.581 1.772 387 HB3 CYS 52 HB1 CYS 52 110.188 -5.994 1.097 388 HA PRO 53 HA PRO 53 108.316 -5.630 -3.543 389 HB2 PRO 53 HB2 PRO 53 108.327 -8.429 -3.094 390 HB3 PRO 53 HB1 PRO 53 109.355 -7.539 -4.231 391 HG2 PRO 53 HG2 PRO 53 109.964 -8.516 -1.502 392 HG3 PRO 53 HG1 PRO 53 111.026 -8.352 -2.908 393 HD2 PRO 53 HD2 PRO 53 111.155 -6.636 -0.845 394 HD3 PRO 53 HD1 PRO 53 111.406 -6.089 -2.518 395 H SER 54 HN SER 54 106.103 -6.139 -3.672 396 HA SER 54 HA SER 54 104.618 -6.007 -1.196 397 HB2 SER 54 HB2 SER 54 103.848 -6.368 -4.086 398 HB3 SER 54 HB1 SER 54 102.645 -6.461 -2.803 399 HG SER 54 HG SER 54 103.596 -4.372 -2.109 400 H ASN 55 HN ASN 55 105.973 -8.642 -2.904 401 HA ASN 55 HA ASN 55 103.946 -10.560 -1.919 402 HB2 ASN 55 HB2 ASN 55 106.499 -10.972 -3.505 403 HB3 ASN 55 HB1 ASN 55 105.344 -12.243 -3.102 404 HD21 ASN 55 HD21 ASN 55 106.184 -10.335 -5.638 405 HD22 ASN 55 HD22 ASN 55 104.675 -10.151 -6.392 406 H TYR 56 HN TYR 56 106.467 -8.997 -0.530 407 HA TYR 56 HA TYR 56 107.304 -11.373 1.091 408 HB2 TYR 56 HB2 TYR 56 108.693 -8.814 0.366 409 HB3 TYR 56 HB1 TYR 56 109.179 -9.717 1.801 410 HD1 TYR 56 HD1 TYR 56 108.367 -10.321 -1.820 411 HD2 TYR 56 HD2 TYR 56 110.780 -11.389 1.566 412 HE1 TYR 56 HE1 TYR 56 109.666 -11.883 -3.240 413 HE2 TYR 56 HE2 TYR 56 112.077 -12.957 0.149 414 HH TYR 56 HH TYR 56 111.667 -13.057 -3.325 415 H SER 57 HN SER 57 107.730 -10.874 3.454 416 HA SER 57 HA SER 57 105.556 -9.086 4.456 417 HB2 SER 57 HB2 SER 57 105.425 -11.416 5.209 418 HB3 SER 57 HB1 SER 57 107.079 -11.337 5.804 419 HG SER 57 HG SER 57 104.790 -9.950 6.727 420 H VAL 58 HN VAL 58 106.072 -7.367 5.830 421 HA VAL 58 HA VAL 58 108.975 -6.766 6.058 422 HB VAL 58 HB VAL 58 108.378 -4.496 6.320 423 HG11 VAL 58 HG11 VAL 58 106.917 -4.044 4.434 424 HG12 VAL 58 HG12 VAL 58 106.221 -5.661 4.539 425 HG13 VAL 58 HG13 VAL 58 107.904 -5.455 4.053 426 HG21 VAL 58 HG21 VAL 58 105.832 -3.956 6.598 427 HG22 VAL 58 HG22 VAL 58 106.756 -4.455 8.016 428 HG23 VAL 58 HG23 VAL 58 105.719 -5.616 7.184 429 H GLU 59 HN GLU 59 110.004 -7.021 7.935 430 HA GLU 59 HA GLU 59 108.446 -6.942 10.475 431 HB2 GLU 59 HB2 GLU 59 110.403 -9.021 9.523 432 HB3 GLU 59 HB1 GLU 59 110.204 -8.715 11.248 433 HG2 GLU 59 HG2 GLU 59 108.021 -9.494 11.280 434 HG3 GLU 59 HG1 GLU 59 107.750 -9.121 9.576 435 HA PRO 60 HA PRO 60 111.842 -4.075 11.175 436 HB2 PRO 60 HB2 PRO 60 111.207 -3.285 13.692 437 HB3 PRO 60 HB1 PRO 60 110.264 -2.773 12.277 438 HG2 PRO 60 HG2 PRO 60 109.676 -4.895 14.279 439 HG3 PRO 60 HG1 PRO 60 108.583 -3.722 13.524 440 HD2 PRO 60 HD2 PRO 60 108.808 -6.346 12.710 441 HD3 PRO 60 HD1 PRO 60 108.273 -5.019 11.655 442 H HIS 61 HN HIS 61 113.835 -5.026 11.480 443 HA HIS 61 HA HIS 61 114.233 -6.860 13.772 444 HB2 HIS 61 HB2 HIS 61 115.137 -7.243 11.368 445 HB3 HIS 61 HB1 HIS 61 116.361 -6.053 11.802 446 HD1 HIS 61 HD1 HIS 61 117.097 -6.728 14.609 447 HD2 HIS 61 HD2 HIS 61 116.325 -9.703 11.788 448 HE1 HIS 61 HE1 HIS 61 118.234 -8.831 15.453 449 HE2 HIS 61 HE2 HIS 61 117.770 -10.646 13.743 450 H ASP 62 HN ASP 62 114.978 -3.659 12.660 451 HA ASP 62 HA ASP 62 115.765 -2.790 15.310 452 HB2 ASP 62 HB2 ASP 62 117.872 -3.866 14.577 453 HB3 ASP 62 HB1 ASP 62 117.904 -2.817 13.159 454 H CYS 63 HN CYS 63 113.789 -2.086 13.365 455 HA CYS 63 HA CYS 63 114.511 0.173 11.777 456 HB2 CYS 63 HB2 CYS 63 111.837 -0.575 12.999 457 HB3 CYS 63 HB1 CYS 63 112.063 0.668 11.777 458 H PHE 64 HN PHE 64 112.599 2.158 12.681 459 HA PHE 64 HA PHE 64 114.119 3.148 15.055 460 HB2 PHE 64 HB2 PHE 64 113.212 5.419 14.204 461 HB3 PHE 64 HB1 PHE 64 114.549 4.663 13.340 462 HD1 PHE 64 HD2 PHE 64 114.063 3.304 11.257 463 HD2 PHE 64 HD1 PHE 64 111.122 5.807 13.138 464 HE1 PHE 64 HE2 PHE 64 112.711 3.276 9.179 465 HE2 PHE 64 HE1 PHE 64 109.773 5.778 11.060 466 HZ PHE 64 HZ PHE 64 110.564 4.514 9.080 467 H VAL 65 HN VAL 65 110.772 3.282 13.661 468 HA VAL 65 HA VAL 65 109.612 4.486 15.951 469 HB VAL 65 HB VAL 65 108.443 2.555 13.924 470 HG11 VAL 65 HG11 VAL 65 107.015 2.298 15.792 471 HG12 VAL 65 HG12 VAL 65 106.235 3.562 14.840 472 HG13 VAL 65 HG13 VAL 65 107.186 3.989 16.263 473 HG21 VAL 65 HG21 VAL 65 107.254 4.749 13.274 474 HG22 VAL 65 HG22 VAL 65 108.970 4.630 12.883 475 HG23 VAL 65 HG23 VAL 65 108.448 5.559 14.289 476 H SER 66 HN SER 66 109.948 1.032 15.142 477 HA SER 66 HA SER 66 110.213 0.373 17.980 478 HB2 SER 66 HB2 SER 66 107.730 0.455 17.651 479 HB3 SER 66 HB1 SER 66 107.890 -0.768 16.394 480 HG SER 66 HG SER 66 109.011 -2.017 18.109 481 H ALA 67 HN ALA 67 111.677 -1.309 18.069 482 HA ALA 67 HA ALA 67 111.635 -3.517 16.217 483 HB1 ALA 67 HB1 ALA 67 113.553 -3.029 14.870 484 HB2 ALA 67 HB2 ALA 67 113.933 -1.594 15.825 485 HB3 ALA 67 HB3 ALA 67 112.516 -1.613 14.793 486 H PHE 68 HN PHE 68 113.952 -4.621 16.335 487 HA PHE 68 HA PHE 68 114.554 -4.859 19.232 488 HB2 PHE 68 HB2 PHE 68 115.698 -6.531 16.979 489 HB3 PHE 68 HB1 PHE 68 115.626 -6.937 18.691 490 HD1 PHE 68 HD1 PHE 68 113.432 -6.149 15.762 491 HD2 PHE 68 HD2 PHE 68 113.796 -8.148 19.547 492 HE1 PHE 68 HE1 PHE 68 111.225 -7.224 15.410 493 HE2 PHE 68 HE2 PHE 68 111.582 -9.213 19.191 494 HZ PHE 68 HZ PHE 68 110.300 -8.741 17.112 495 H ASN 69 HN ASN 69 116.328 -3.837 20.075 496 HA ASN 69 HA ASN 69 118.094 -2.298 18.398 497 HB2 ASN 69 HB2 ASN 69 118.217 -3.071 21.322 498 HB3 ASN 69 HB1 ASN 69 119.404 -2.015 20.557 499 HD21 ASN 69 HD21 ASN 69 117.664 -1.084 22.658 500 HD22 ASN 69 HD22 ASN 69 116.618 0.077 21.996 501 H LEU 70 HN LEU 70 120.635 -2.648 19.116 502 HA LEU 70 HA LEU 70 121.472 -4.967 17.671 503 HB2 LEU 70 HB2 LEU 70 123.118 -3.374 19.661 504 HB3 LEU 70 HB1 LEU 70 123.725 -4.358 18.330 505 HG LEU 70 HG LEU 70 122.013 -1.869 18.054 506 HD11 LEU 70 HD11 LEU 70 124.216 -1.180 18.631 507 HD12 LEU 70 HD12 LEU 70 124.146 -1.065 16.872 508 HD13 LEU 70 HD13 LEU 70 124.951 -2.436 17.635 509 HD21 LEU 70 HD21 LEU 70 121.448 -3.219 16.212 510 HD22 LEU 70 HD22 LEU 70 123.073 -3.894 16.088 511 HD23 LEU 70 HD23 LEU 70 122.768 -2.230 15.587 512 H SER 71 HN SER 71 120.633 -4.457 20.994 513 HA SER 71 HA SER 71 121.987 -6.882 21.955 514 HB2 SER 71 HB2 SER 71 119.814 -5.340 23.383 515 HB3 SER 71 HB1 SER 71 121.080 -6.338 24.092 516 HG SER 71 HG SER 71 122.585 -4.809 23.477 517 H GLY 72 HN GLY 72 119.245 -6.235 20.167 518 HA2 GLY 72 HA2 GLY 72 117.641 -7.783 19.364 519 HA3 GLY 72 HA1 GLY 72 118.244 -8.962 20.533 520 H LYS 73 HN LYS 73 117.506 -5.813 21.742 521 HA LYS 73 HA LYS 73 115.137 -6.958 23.148 522 HB2 LYS 73 HB2 LYS 73 116.846 -4.516 23.730 523 HB3 LYS 73 HB1 LYS 73 115.433 -4.991 24.674 524 HG2 LYS 73 HG2 LYS 73 116.492 -7.147 25.206 525 HG3 LYS 73 HG1 LYS 73 117.898 -6.704 24.238 526 HD2 LYS 73 HD2 LYS 73 118.314 -4.772 25.722 527 HD3 LYS 73 HD1 LYS 73 116.915 -5.225 26.697 528 HE2 LYS 73 HE2 LYS 73 117.965 -7.383 27.232 529 HE3 LYS 73 HE1 LYS 73 119.357 -6.964 26.233 530 HZ1 LYS 73 HZ1 LYS 73 118.615 -6.013 28.875 531 HZ2 LYS 73 HZ2 LYS 73 119.229 -4.834 27.816 532 HZ3 LYS 73 HZ3 LYS 73 120.151 -6.213 28.183 533 H ASN 74 HN ASN 74 113.102 -6.033 22.872 534 HA ASN 74 HA ASN 74 112.788 -4.234 20.582 535 HB2 ASN 74 HB2 ASN 74 111.222 -6.131 21.021 536 HB3 ASN 74 HB1 ASN 74 110.676 -5.296 22.476 537 HD21 ASN 74 HD21 ASN 74 108.526 -4.807 21.738 538 HD22 ASN 74 HD22 ASN 74 108.222 -3.766 20.432 539 H GLU 75 HN GLU 75 113.174 -2.097 20.915 540 HA GLU 75 HA GLU 75 111.732 -0.753 23.128 541 HB2 GLU 75 HB2 GLU 75 114.730 -0.582 22.688 542 HB3 GLU 75 HB1 GLU 75 113.824 0.545 23.697 543 HG2 GLU 75 HG2 GLU 75 113.062 -1.320 25.114 544 HG3 GLU 75 HG1 GLU 75 113.944 -2.459 24.097 545 H ASN 76 HN ASN 76 111.071 1.346 22.564 546 HA ASN 76 HA ASN 76 111.012 2.066 19.829 547 HB2 ASN 76 HB2 ASN 76 110.712 3.759 22.330 548 HB3 ASN 76 HB1 ASN 76 110.354 4.346 20.706 549 HD21 ASN 76 HD21 ASN 76 108.149 4.218 20.267 550 HD22 ASN 76 HD22 ASN 76 107.111 2.996 20.825 551 H LEU 77 HN LEU 77 112.292 3.477 18.583 552 HA LEU 77 HA LEU 77 114.998 3.990 19.679 553 HB2 LEU 77 HB2 LEU 77 114.477 2.850 17.385 554 HB3 LEU 77 HB1 LEU 77 114.154 4.495 16.836 555 HG LEU 77 HG LEU 77 116.420 5.170 17.609 556 HD11 LEU 77 HD11 LEU 77 116.387 2.360 18.593 557 HD12 LEU 77 HD12 LEU 77 117.228 3.767 19.238 558 HD13 LEU 77 HD13 LEU 77 117.900 2.896 17.863 559 HD21 LEU 77 HD21 LEU 77 117.677 3.917 15.844 560 HD22 LEU 77 HD22 LEU 77 116.129 4.541 15.275 561 HD23 LEU 77 HD23 LEU 77 116.296 2.833 15.682 562 H GLU 78 HN GLU 78 112.247 5.623 19.796 563 HA GLU 78 HA GLU 78 112.935 8.179 18.619 564 HB2 GLU 78 HB2 GLU 78 111.025 9.066 19.827 565 HB3 GLU 78 HB1 GLU 78 110.594 7.491 19.162 566 HG2 GLU 78 HG2 GLU 78 111.107 6.450 21.360 567 HG3 GLU 78 HG1 GLU 78 111.451 8.049 22.018 568 H ASN 79 HN ASN 79 113.329 6.799 21.868 569 HA ASN 79 HA ASN 79 114.224 9.198 23.141 570 HB2 ASN 79 HB2 ASN 79 115.152 7.729 24.854 571 HB3 ASN 79 HB1 ASN 79 113.584 7.097 24.347 572 HD21 ASN 79 HD21 ASN 79 115.624 5.413 25.515 573 HD22 ASN 79 HD22 ASN 79 116.134 4.314 24.327 574 H LYS 80 HN LYS 80 115.848 6.812 21.143 575 HA LYS 80 HA LYS 80 118.540 7.767 21.679 576 HB2 LYS 80 HB2 LYS 80 118.135 5.510 20.808 577 HB3 LYS 80 HB1 LYS 80 117.435 6.186 19.343 578 HG2 LYS 80 HG2 LYS 80 119.586 7.282 18.812 579 HG3 LYS 80 HG1 LYS 80 120.292 6.592 20.275 580 HD2 LYS 80 HD2 LYS 80 119.019 4.863 18.150 581 HD3 LYS 80 HD1 LYS 80 120.716 5.334 18.069 582 HE2 LYS 80 HE2 LYS 80 120.949 4.413 20.440 583 HE3 LYS 80 HE1 LYS 80 119.348 3.710 20.225 584 HZ1 LYS 80 HZ1 LYS 80 120.791 3.082 17.954 585 HZ2 LYS 80 HZ2 LYS 80 120.311 2.029 19.198 586 HZ3 LYS 80 HZ3 LYS 80 121.832 2.784 19.260 587 H LEU 81 HN LEU 81 116.291 8.203 18.939 588 HA LEU 81 HA LEU 81 117.560 10.844 18.420 589 HB2 LEU 81 HB2 LEU 81 118.584 9.108 16.908 590 HB3 LEU 81 HB1 LEU 81 116.976 8.812 16.246 591 HG LEU 81 HG LEU 81 116.831 11.207 15.589 592 HD11 LEU 81 HD11 LEU 81 118.210 12.467 16.955 593 HD12 LEU 81 HD12 LEU 81 119.286 12.271 15.573 594 HD13 LEU 81 HD13 LEU 81 119.476 11.241 16.990 595 HD21 LEU 81 HD21 LEU 81 118.060 10.910 13.635 596 HD22 LEU 81 HD22 LEU 81 117.949 9.252 14.209 597 HD23 LEU 81 HD23 LEU 81 119.423 10.182 14.477 598 H LYS 82 HN LYS 82 115.977 12.370 18.146 599 HA LYS 82 HA LYS 82 113.181 11.503 18.043 600 HB2 LYS 82 HB2 LYS 82 113.911 13.464 19.400 601 HB3 LYS 82 HB1 LYS 82 114.332 14.308 17.909 602 HG2 LYS 82 HG2 LYS 82 112.010 14.166 17.141 603 HG3 LYS 82 HG1 LYS 82 111.569 13.249 18.583 604 HD2 LYS 82 HD2 LYS 82 112.240 15.174 19.996 605 HD3 LYS 82 HD1 LYS 82 112.632 16.090 18.541 606 HE2 LYS 82 HE2 LYS 82 109.895 14.929 19.130 607 HE3 LYS 82 HE1 LYS 82 110.351 16.604 19.444 608 HZ1 LYS 82 HZ1 LYS 82 110.850 16.876 17.102 609 HZ2 LYS 82 HZ2 LYS 82 109.243 16.364 17.310 610 HZ3 LYS 82 HZ3 LYS 82 110.430 15.262 16.797 611 H LEU 83 HN LEU 83 113.088 10.494 15.955 612 HA LEU 83 HA LEU 83 113.848 11.889 13.539 613 HB2 LEU 83 HB2 LEU 83 112.015 9.518 13.989 614 HB3 LEU 83 HB1 LEU 83 112.532 10.089 12.404 615 HG LEU 83 HG LEU 83 114.406 9.200 14.615 616 HD11 LEU 83 HD11 LEU 83 112.870 7.480 13.353 617 HD12 LEU 83 HD12 LEU 83 114.587 7.129 13.553 618 HD13 LEU 83 HD13 LEU 83 113.986 7.753 12.016 619 HD21 LEU 83 HD21 LEU 83 115.720 10.613 13.328 620 HD22 LEU 83 HD22 LEU 83 114.757 10.356 11.873 621 HD23 LEU 83 HD23 LEU 83 115.902 9.124 12.402 622 H THR 84 HN THR 84 112.429 12.798 11.942 623 HA THR 84 HA THR 84 109.722 13.581 12.999 624 HB THR 84 HB THR 84 110.021 15.802 12.067 625 HG1 THR 84 HG1 THR 84 112.676 15.438 11.439 626 HG21 THR 84 HG21 THR 84 112.559 15.078 13.550 627 HG22 THR 84 HG22 THR 84 110.994 15.286 14.335 628 HG23 THR 84 HG23 THR 84 111.755 16.647 13.513 629 H ASN 85 HN ASN 85 108.210 14.213 11.188 630 HA ASN 85 HA ASN 85 107.135 13.627 9.197 631 HB2 ASN 85 HB2 ASN 85 110.012 13.789 8.275 632 HB3 ASN 85 HB1 ASN 85 108.656 13.563 7.173 633 HD21 ASN 85 HD21 ASN 85 108.683 15.636 6.162 634 HD22 ASN 85 HD22 ASN 85 108.420 17.084 7.007 635 H ILE 86 HN ILE 86 107.313 11.478 10.815 636 HA ILE 86 HA ILE 86 108.667 9.247 9.505 637 HB ILE 86 HB ILE 86 106.677 9.372 11.787 638 HG12 ILE 86 HG12 ILE 86 109.648 8.774 11.809 639 HG13 ILE 86 HG11 ILE 86 108.988 10.387 12.082 640 HG21 ILE 86 HG21 ILE 86 108.034 7.087 10.403 641 HG22 ILE 86 HG22 ILE 86 106.404 7.182 11.063 642 HG23 ILE 86 HG23 ILE 86 107.783 6.996 12.145 643 HD11 ILE 86 HD11 ILE 86 109.413 9.198 14.216 644 HD12 ILE 86 HD12 ILE 86 108.301 7.925 13.713 645 HD13 ILE 86 HD13 ILE 86 107.699 9.558 14.000 646 H ILE 87 HN ILE 87 107.830 7.995 7.924 647 HA ILE 87 HA ILE 87 104.867 8.097 7.433 648 HB ILE 87 HB ILE 87 107.094 7.853 5.385 649 HG12 ILE 87 HG12 ILE 87 106.935 10.131 6.269 650 HG13 ILE 87 HG11 ILE 87 106.281 10.085 4.632 651 HG21 ILE 87 HG21 ILE 87 105.240 6.640 4.547 652 HG22 ILE 87 HG22 ILE 87 105.092 8.237 3.814 653 HG23 ILE 87 HG23 ILE 87 104.083 7.804 5.194 654 HD11 ILE 87 HD11 ILE 87 104.001 9.608 5.940 655 HD12 ILE 87 HD12 ILE 87 104.587 11.250 5.691 656 HD13 ILE 87 HD13 ILE 87 104.856 10.445 7.234 657 H MET 88 HN MET 88 103.957 6.078 7.708 658 HA MET 88 HA MET 88 105.700 3.697 7.169 659 HB2 MET 88 HB2 MET 88 103.508 3.907 9.254 660 HB3 MET 88 HB1 MET 88 104.573 2.528 8.978 661 HG2 MET 88 HG2 MET 88 106.529 3.917 9.564 662 HG3 MET 88 HG1 MET 88 105.467 5.294 9.841 663 HE1 MET 88 HE1 MET 88 106.388 1.630 12.164 664 HE2 MET 88 HE2 MET 88 106.301 1.832 10.416 665 HE3 MET 88 HE3 MET 88 104.878 1.296 11.304 666 H ASP 89 HN ASP 89 104.947 3.007 5.203 667 HA ASP 89 HA ASP 89 101.977 2.703 4.880 668 HB2 ASP 89 HB2 ASP 89 104.182 3.110 2.851 669 HB3 ASP 89 HB1 ASP 89 102.557 2.596 2.401 670 H HIS 90 HN HIS 90 101.628 0.607 5.596 671 HA HIS 90 HA HIS 90 103.517 -1.538 5.119 672 HB2 HIS 90 HB2 HIS 90 100.633 -1.569 6.037 673 HB3 HIS 90 HB1 HIS 90 101.683 -2.987 6.000 674 HD1 HIS 90 HD1 HIS 90 104.104 -2.516 7.345 675 HD2 HIS 90 HD2 HIS 90 100.778 -0.260 8.461 676 HE1 HIS 90 HE1 HIS 90 104.605 -1.591 9.651 677 HE2 HIS 90 HE2 HIS 90 102.587 -0.217 10.340 678 H TYR 91 HN TYR 91 100.540 -0.455 3.519 679 HA TYR 91 HA TYR 91 100.172 -2.733 1.852 680 HB2 TYR 91 HB2 TYR 91 98.456 -1.005 2.023 681 HB3 TYR 91 HB1 TYR 91 99.538 0.179 1.289 682 HD1 TYR 91 HD1 TYR 91 97.968 -3.162 0.643 683 HD2 TYR 91 HD2 TYR 91 99.578 0.446 -1.040 684 HE1 TYR 91 HE1 TYR 91 97.247 -3.893 -1.615 685 HE2 TYR 91 HE2 TYR 91 98.857 -0.284 -3.297 686 HH TYR 91 HH TYR 91 98.266 -2.250 -4.489 687 H ASN 92 HN ASN 92 102.044 0.259 1.270 688 HA ASN 92 HA ASN 92 103.121 -0.912 -1.222 689 HB2 ASN 92 HB2 ASN 92 103.471 1.768 0.141 690 HB3 ASN 92 HB1 ASN 92 104.393 1.302 -1.290 691 HD21 ASN 92 HD21 ASN 92 102.499 3.490 -1.303 692 HD22 ASN 92 HD22 ASN 92 101.223 3.064 -2.339 693 H ASN 93 HN ASN 93 103.790 -1.080 2.032 694 HA ASN 93 HA ASN 93 105.668 -1.789 3.252 695 HB2 ASN 93 HB2 ASN 93 106.294 -2.891 0.500 696 HB3 ASN 93 HB1 ASN 93 107.254 -3.264 1.932 697 HD21 ASN 93 HD21 ASN 93 105.778 -5.297 0.504 698 HD22 ASN 93 HD22 ASN 93 104.546 -5.861 1.526 699 H THR 94 HN THR 94 105.855 0.894 2.569 700 HA THR 94 HA THR 94 108.779 1.164 2.035 701 HB THR 94 HB THR 94 107.690 1.920 0.017 702 HG1 THR 94 HG1 THR 94 108.305 4.106 0.085 703 HG21 THR 94 HG21 THR 94 106.030 3.796 1.706 704 HG22 THR 94 HG22 THR 94 105.446 2.219 1.180 705 HG23 THR 94 HG23 THR 94 105.855 3.449 -0.014 706 H PHE 95 HN PHE 95 109.835 2.466 3.494 707 HA PHE 95 HA PHE 95 108.132 4.048 5.398 708 HB2 PHE 95 HB2 PHE 95 110.643 2.465 6.042 709 HB3 PHE 95 HB1 PHE 95 109.694 3.414 7.187 710 HD1 PHE 95 HD1 PHE 95 109.651 0.433 4.981 711 HD2 PHE 95 HD2 PHE 95 107.631 2.589 8.093 712 HE1 PHE 95 HE1 PHE 95 108.152 -1.508 5.353 713 HE2 PHE 95 HE2 PHE 95 106.129 0.651 8.465 714 HZ PHE 95 HZ PHE 95 106.390 -1.398 7.094 715 H TYR 96 HN TYR 96 108.867 6.116 5.850 716 HA TYR 96 HA TYR 96 111.581 6.885 4.860 717 HB2 TYR 96 HB2 TYR 96 109.063 8.529 4.448 718 HB3 TYR 96 HB1 TYR 96 110.686 8.939 3.901 719 HD1 TYR 96 HD2 TYR 96 111.764 7.663 2.069 720 HD2 TYR 96 HD1 TYR 96 107.713 6.908 3.282 721 HE1 TYR 96 HE2 TYR 96 111.357 6.432 -0.046 722 HE2 TYR 96 HE1 TYR 96 107.307 5.680 1.168 723 HH TYR 96 HH TYR 96 108.649 5.895 -1.366 724 H SER 97 HN SER 97 112.558 8.553 6.106 725 HA SER 97 HA SER 97 111.006 9.846 8.248 726 HB2 SER 97 HB2 SER 97 111.656 7.780 9.360 727 HB3 SER 97 HB1 SER 97 113.321 7.965 8.815 728 HG SER 97 HG SER 97 111.870 9.465 10.716 729 H ARG 98 HN ARG 98 112.148 11.680 9.133 730 HA ARG 98 HA ARG 98 114.445 12.559 7.433 731 HB2 ARG 98 HB2 ARG 98 112.235 14.037 8.827 732 HB3 ARG 98 HB1 ARG 98 113.752 14.862 8.477 733 HG2 ARG 98 HG2 ARG 98 113.522 14.366 6.104 734 HG3 ARG 98 HG1 ARG 98 112.073 13.407 6.410 735 HD2 ARG 98 HD2 ARG 98 110.761 15.254 6.701 736 HD3 ARG 98 HD1 ARG 98 112.033 16.198 7.463 737 HE ARG 98 HE ARG 98 111.256 16.182 4.655 738 HH11 ARG 98 HH21 ARG 98 113.998 16.357 6.743 739 HH12 ARG 98 HH22 ARG 98 115.037 17.020 5.524 740 HH21 ARG 98 HH11 ARG 98 112.592 17.039 3.067 741 HH22 ARG 98 HH12 ARG 98 114.244 17.401 3.446 742 H LEU 99 HN LEU 99 116.334 13.161 8.369 743 HA LEU 99 HA LEU 99 116.654 12.495 11.240 744 HB2 LEU 99 HB2 LEU 99 118.776 13.201 9.195 745 HB3 LEU 99 HB1 LEU 99 119.050 12.533 10.804 746 HG LEU 99 HG LEU 99 117.657 11.178 8.485 747 HD11 LEU 99 HD11 LEU 99 119.514 9.514 8.876 748 HD12 LEU 99 HD12 LEU 99 120.224 10.661 10.012 749 HD13 LEU 99 HD13 LEU 99 120.065 11.089 8.309 750 HD21 LEU 99 HD21 LEU 99 116.431 10.400 10.326 751 HD22 LEU 99 HD22 LEU 99 117.808 10.530 11.418 752 HD23 LEU 99 HD23 LEU 99 117.741 9.222 10.239 753 HA PRO 100 HA PRO 100 116.626 16.743 12.655 754 HB2 PRO 100 HB2 PRO 100 119.109 15.935 14.126 755 HB3 PRO 100 HB1 PRO 100 117.664 16.768 14.730 756 HG2 PRO 100 HG2 PRO 100 118.112 14.179 15.209 757 HG3 PRO 100 HG1 PRO 100 116.482 14.827 14.974 758 HD2 PRO 100 HD2 PRO 100 118.089 13.117 13.164 759 HD3 PRO 100 HD1 PRO 100 116.327 13.328 13.264 760 H SER 101 HN SER 101 118.451 18.570 12.916 761 HA SER 101 HA SER 101 119.903 18.578 10.361 762 HB2 SER 101 HB2 SER 101 119.606 20.677 12.521 763 HB3 SER 101 HB1 SER 101 120.466 20.927 11.005 764 HG SER 101 HG SER 101 117.728 20.571 11.498 765 H LEU 102 HN LEU 102 120.576 17.790 13.613 766 HA LEU 102 HA LEU 102 123.522 18.032 13.088 767 HB2 LEU 102 HB2 LEU 102 122.774 19.540 14.874 768 HB3 LEU 102 HB1 LEU 102 122.041 18.183 15.727 769 HG LEU 102 HG LEU 102 124.242 17.119 15.963 770 HD11 LEU 102 HD11 LEU 102 126.215 18.780 15.371 771 HD12 LEU 102 HD12 LEU 102 125.048 19.422 14.215 772 HD13 LEU 102 HD13 LEU 102 125.537 17.730 14.128 773 HD21 LEU 102 HD21 LEU 102 124.084 20.022 16.825 774 HD22 LEU 102 HD22 LEU 102 125.304 18.897 17.421 775 HD23 LEU 102 HD23 LEU 102 123.597 18.605 17.756 776 H ILE 103 HN ILE 103 124.655 16.150 13.136 777 HA ILE 103 HA ILE 103 123.698 13.882 14.760 778 HB ILE 103 HB ILE 103 124.310 13.387 11.845 779 HG12 ILE 103 HG12 ILE 103 121.592 13.915 13.090 780 HG13 ILE 103 HG11 ILE 103 122.402 14.937 11.902 781 HG21 ILE 103 HG21 ILE 103 123.173 11.290 12.267 782 HG22 ILE 103 HG22 ILE 103 122.648 11.844 13.857 783 HG23 ILE 103 HG23 ILE 103 124.356 11.533 13.552 784 HD11 ILE 103 HD11 ILE 103 122.491 12.755 10.465 785 HD12 ILE 103 HD12 ILE 103 120.990 13.672 10.554 786 HD13 ILE 103 HD13 ILE 103 121.191 12.217 11.530 787 H SER 104 HN SER 104 125.610 13.799 15.935 788 HA SER 104 HA SER 104 128.160 13.588 14.368 789 HB2 SER 104 HB2 SER 104 129.293 14.404 16.394 790 HB3 SER 104 HB1 SER 104 128.067 15.552 15.862 791 HG SER 104 HG SER 104 126.655 14.580 17.410 792 H ASP 105 HN ASP 105 125.942 11.745 15.988 793 HA ASP 105 HA ASP 105 127.871 10.013 17.381 794 HB2 ASP 105 HB2 ASP 105 125.626 10.417 18.345 795 HB3 ASP 105 HB1 ASP 105 124.894 9.663 16.931 796 H ASN 106 HN ASN 106 128.053 7.720 16.859 797 HA ASN 106 HA ASN 106 127.919 7.252 13.920 798 HB2 ASN 106 HB2 ASN 106 129.406 5.804 16.134 799 HB3 ASN 106 HB1 ASN 106 129.419 5.305 14.442 800 HD21 ASN 106 HD21 ASN 106 131.673 6.377 16.176 801 HD22 ASN 106 HD22 ASN 106 132.281 7.712 15.321 802 H TRP 107 HN TRP 107 125.545 7.104 15.661 803 HA TRP 107 HA TRP 107 124.931 4.384 16.306 804 HB2 TRP 107 HB2 TRP 107 122.638 5.125 16.546 805 HB3 TRP 107 HB1 TRP 107 123.696 6.382 17.185 806 HD1 TRP 107 HD1 TRP 107 124.370 8.321 15.196 807 HE1 TRP 107 HE1 TRP 107 122.758 9.491 13.590 808 HE3 TRP 107 HE3 TRP 107 120.480 5.021 15.326 809 HZ2 TRP 107 HZ2 TRP 107 120.137 9.091 12.494 810 HZ3 TRP 107 HZ3 TRP 107 118.437 5.446 13.994 811 HH2 TRP 107 HH2 TRP 107 118.259 7.471 12.587 812 H LYS 108 HN LYS 108 123.424 2.972 15.221 813 HA LYS 108 HA LYS 108 122.953 3.454 12.340 814 HB2 LYS 108 HB2 LYS 108 123.887 1.201 11.782 815 HB3 LYS 108 HB1 LYS 108 125.119 2.318 12.369 816 HG2 LYS 108 HG2 LYS 108 124.857 1.343 14.651 817 HG3 LYS 108 HG1 LYS 108 123.723 0.167 13.985 818 HD2 LYS 108 HD2 LYS 108 125.460 -0.690 12.478 819 HD3 LYS 108 HD1 LYS 108 126.599 0.513 13.085 820 HE2 LYS 108 HE2 LYS 108 126.976 -1.645 14.195 821 HE3 LYS 108 HE1 LYS 108 126.391 -0.456 15.358 822 HZ1 LYS 108 HZ1 LYS 108 124.879 -2.651 14.075 823 HZ2 LYS 108 HZ2 LYS 108 124.108 -1.357 14.859 824 HZ3 LYS 108 HZ3 LYS 108 125.142 -2.388 15.729 825 H PHE 109 HN PHE 109 121.337 1.912 11.463 826 HA PHE 109 HA PHE 109 120.002 0.136 13.388 827 HB2 PHE 109 HB2 PHE 109 117.869 1.241 13.404 828 HB3 PHE 109 HB1 PHE 109 119.068 2.453 13.840 829 HD1 PHE 109 HD1 PHE 109 116.777 1.267 11.217 830 HD2 PHE 109 HD2 PHE 109 119.666 4.255 12.304 831 HE1 PHE 109 HE1 PHE 109 116.035 2.674 9.316 832 HE2 PHE 109 HE2 PHE 109 118.925 5.662 10.401 833 HZ PHE 109 HZ PHE 109 117.109 4.872 8.907 834 H PHE 110 HN PHE 110 118.191 -1.091 12.236 835 HA PHE 110 HA PHE 110 118.251 -0.864 9.303 836 HB2 PHE 110 HB2 PHE 110 118.866 -3.356 9.151 837 HB3 PHE 110 HB1 PHE 110 120.168 -2.233 9.534 838 HD1 PHE 110 HD2 PHE 110 121.049 -2.050 11.827 839 HD2 PHE 110 HD1 PHE 110 118.025 -4.915 10.797 840 HE1 PHE 110 HE2 PHE 110 121.487 -3.268 13.940 841 HE2 PHE 110 HE1 PHE 110 118.458 -6.135 12.920 842 HZ PHE 110 HZ PHE 110 120.193 -5.310 14.487 843 H CYS 111 HN CYS 111 116.780 -2.387 8.253 844 HA CYS 111 HA CYS 111 114.587 -3.405 10.030 845 HB2 CYS 111 HB2 CYS 111 114.323 -1.891 7.411 846 HB3 CYS 111 HB1 CYS 111 112.994 -2.761 8.177 847 H VAL 112 HN VAL 112 113.409 -5.253 9.000 848 HA VAL 112 HA VAL 112 115.045 -6.576 6.857 849 HB VAL 112 HB VAL 112 114.010 -7.753 9.435 850 HG11 VAL 112 HG11 VAL 112 113.431 -9.420 7.874 851 HG12 VAL 112 HG12 VAL 112 115.053 -9.895 8.381 852 HG13 VAL 112 HG13 VAL 112 114.816 -9.065 6.842 853 HG21 VAL 112 HG21 VAL 112 116.742 -7.681 8.116 854 HG22 VAL 112 HG22 VAL 112 116.376 -8.410 9.679 855 HG23 VAL 112 HG23 VAL 112 116.237 -6.664 9.464 856 H CYS 113 HN CYS 113 113.975 -7.759 5.359 857 HA CYS 113 HA CYS 113 110.993 -7.931 5.530 858 HB2 CYS 113 HB2 CYS 113 112.712 -7.308 3.105 859 HB3 CYS 113 HB1 CYS 113 110.992 -7.678 3.026 860 H SER 114 HN SER 114 110.271 -10.091 5.169 861 HA SER 114 HA SER 114 111.796 -11.929 3.536 862 HB2 SER 114 HB2 SER 114 112.661 -13.379 5.271 863 HB3 SER 114 HB1 SER 114 113.258 -11.747 5.559 864 HG SER 114 HG SER 114 111.767 -11.495 7.167 865 H LYS 115 HN LYS 115 111.088 -14.285 4.122 866 HA LYS 115 HA LYS 115 108.386 -14.540 5.235 867 HB2 LYS 115 HB2 LYS 115 108.988 -14.946 2.302 868 HB3 LYS 115 HB1 LYS 115 107.654 -15.782 3.094 869 HG2 LYS 115 HG2 LYS 115 106.922 -13.433 3.906 870 HG3 LYS 115 HG1 LYS 115 108.023 -12.819 2.670 871 HD2 LYS 115 HD2 LYS 115 105.646 -14.654 2.248 872 HD3 LYS 115 HD1 LYS 115 105.819 -12.995 1.677 873 HE2 LYS 115 HE2 LYS 115 106.409 -14.157 -0.242 874 HE3 LYS 115 HE1 LYS 115 107.994 -13.972 0.509 875 HZ1 LYS 115 HZ1 LYS 115 108.090 -16.150 1.050 876 HZ2 LYS 115 HZ2 LYS 115 107.039 -16.304 -0.276 877 HZ3 LYS 115 HZ3 LYS 115 106.420 -16.290 1.306 878 H ASP 116 HN ASP 116 107.788 -16.954 5.225 879 HA ASP 116 HA ASP 116 109.943 -18.496 6.255 880 HB2 ASP 116 HB2 ASP 116 107.228 -19.262 5.169 881 HB3 ASP 116 HB1 ASP 116 108.353 -20.467 5.797 882 H ASN 117 HN ASN 117 111.106 -20.277 5.292 883 HA ASN 117 HA ASN 117 112.469 -21.086 3.530 884 HB2 ASN 117 HB2 ASN 117 110.187 -22.248 3.298 885 HB3 ASN 117 HB1 ASN 117 109.877 -21.122 1.976 886 HD21 ASN 117 HD21 ASN 117 110.022 -22.644 0.235 887 HD22 ASN 117 HD22 ASN 117 111.453 -23.472 -0.145 888 H GLU 118 HN GLU 118 113.084 -18.546 3.481 889 HA GLU 118 HA GLU 118 113.310 -17.872 0.660 890 HB2 GLU 118 HB2 GLU 118 111.472 -16.294 2.463 891 HB3 GLU 118 HB1 GLU 118 112.248 -15.544 1.071 892 HG2 GLU 118 HG2 GLU 118 111.271 -17.601 -0.244 893 HG3 GLU 118 HG1 GLU 118 110.189 -17.732 1.142 894 H LYS 119 HN LYS 119 114.995 -16.378 0.308 895 HA LYS 119 HA LYS 119 116.942 -16.055 2.360 896 HB2 LYS 119 HB2 LYS 119 116.538 -14.454 -0.190 897 HB3 LYS 119 HB1 LYS 119 117.998 -14.424 0.799 898 HG2 LYS 119 HG2 LYS 119 118.319 -16.835 0.426 899 HG3 LYS 119 HG1 LYS 119 116.844 -16.891 -0.539 900 HD2 LYS 119 HD2 LYS 119 117.867 -15.199 -2.089 901 HD3 LYS 119 HD1 LYS 119 119.369 -15.337 -1.175 902 HE2 LYS 119 HE2 LYS 119 117.958 -17.586 -2.640 903 HE3 LYS 119 HE1 LYS 119 119.457 -16.801 -3.135 904 HZ1 LYS 119 HZ1 LYS 119 120.596 -18.126 -1.800 905 HZ2 LYS 119 HZ2 LYS 119 119.166 -18.966 -1.430 906 HZ3 LYS 119 HZ3 LYS 119 119.665 -17.665 -0.459 907 H LYS 120 HN LYS 120 117.453 -14.233 3.682 908 HA LYS 120 HA LYS 120 115.127 -12.449 4.162 909 HB2 LYS 120 HB2 LYS 120 116.286 -11.853 6.249 910 HB3 LYS 120 HB1 LYS 120 116.143 -13.601 6.089 911 HG2 LYS 120 HG2 LYS 120 118.495 -13.404 4.943 912 HG3 LYS 120 HG1 LYS 120 118.577 -11.867 5.796 913 HD2 LYS 120 HD2 LYS 120 119.498 -13.314 7.383 914 HD3 LYS 120 HD1 LYS 120 117.803 -13.297 7.864 915 HE2 LYS 120 HE2 LYS 120 117.376 -15.389 6.753 916 HE3 LYS 120 HE1 LYS 120 118.956 -15.369 5.973 917 HZ1 LYS 120 HZ1 LYS 120 118.234 -16.213 8.614 918 HZ2 LYS 120 HZ2 LYS 120 119.542 -15.129 8.611 919 HZ3 LYS 120 HZ3 LYS 120 119.622 -16.565 7.706 920 H LEU 121 HN LEU 121 115.201 -10.218 3.945 921 HA LEU 121 HA LEU 121 117.619 -9.134 2.551 922 HB2 LEU 121 HB2 LEU 121 114.814 -7.979 2.602 923 HB3 LEU 121 HB1 LEU 121 116.146 -7.490 1.557 924 HG LEU 121 HG LEU 121 114.821 -10.218 1.544 925 HD11 LEU 121 HD11 LEU 121 114.567 -7.778 -0.217 926 HD12 LEU 121 HD12 LEU 121 113.283 -8.713 0.548 927 HD13 LEU 121 HD13 LEU 121 114.176 -9.391 -0.814 928 HD21 LEU 121 HD21 LEU 121 117.040 -10.567 0.841 929 HD22 LEU 121 HD22 LEU 121 117.132 -8.997 0.043 930 HD23 LEU 121 HD23 LEU 121 116.180 -10.296 -0.675 931 H VAL 122 HN VAL 122 118.870 -7.804 3.841 932 HA VAL 122 HA VAL 122 117.544 -6.519 6.192 933 HB VAL 122 HB VAL 122 120.426 -7.276 5.652 934 HG11 VAL 122 HG11 VAL 122 120.622 -5.216 6.792 935 HG12 VAL 122 HG12 VAL 122 120.675 -6.414 8.087 936 HG13 VAL 122 HG13 VAL 122 119.187 -5.522 7.770 937 HG21 VAL 122 HG21 VAL 122 118.978 -8.080 8.126 938 HG22 VAL 122 HG22 VAL 122 120.088 -9.005 7.119 939 HG23 VAL 122 HG23 VAL 122 118.405 -8.823 6.631 940 H PHE 123 HN PHE 123 117.395 -4.358 6.256 941 HA PHE 123 HA PHE 123 118.914 -2.744 4.240 942 HB2 PHE 123 HB2 PHE 123 116.600 -2.411 3.827 943 HB3 PHE 123 HB1 PHE 123 116.208 -2.407 5.544 944 HD1 PHE 123 HD1 PHE 123 118.305 -0.515 3.078 945 HD2 PHE 123 HD2 PHE 123 115.865 -0.366 6.603 946 HE1 PHE 123 HE1 PHE 123 118.518 1.952 3.119 947 HE2 PHE 123 HE2 PHE 123 116.077 2.104 6.649 948 HZ PHE 123 HZ PHE 123 117.403 3.265 4.905 949 H THR 124 HN THR 124 120.541 -1.512 5.163 950 HA THR 124 HA THR 124 120.134 -0.595 7.981 951 HB THR 124 HB THR 124 121.555 -2.717 7.802 952 HG1 THR 124 HG1 THR 124 123.268 -1.534 9.127 953 HG21 THR 124 HG21 THR 124 123.803 -2.506 7.017 954 HG22 THR 124 HG22 THR 124 123.644 -0.760 6.835 955 HG23 THR 124 HG23 THR 124 122.773 -1.843 5.749 956 H VAL 125 HN VAL 125 121.032 1.337 8.538 957 HA VAL 125 HA VAL 125 122.714 2.751 6.531 958 HB VAL 125 HB VAL 125 121.405 4.736 6.620 959 HG11 VAL 125 HG11 VAL 125 120.421 2.583 5.444 960 HG12 VAL 125 HG12 VAL 125 119.447 4.049 5.567 961 HG13 VAL 125 HG13 VAL 125 119.184 2.718 6.694 962 HG21 VAL 125 HG21 VAL 125 119.348 4.797 8.154 963 HG22 VAL 125 HG22 VAL 125 120.916 4.928 8.948 964 HG23 VAL 125 HG23 VAL 125 120.044 3.394 8.967 965 H GLU 126 HN GLU 126 123.979 4.524 7.580 966 HA GLU 126 HA GLU 126 124.102 4.293 10.558 967 HB2 GLU 126 HB2 GLU 126 126.546 4.170 10.472 968 HB3 GLU 126 HB1 GLU 126 125.847 2.828 9.564 969 HG2 GLU 126 HG2 GLU 126 126.137 4.120 7.464 970 HG3 GLU 126 HG1 GLU 126 126.891 5.421 8.384 971 H ALA 127 HN ALA 127 125.010 6.149 11.610 972 HA ALA 127 HA ALA 127 125.824 8.476 10.041 973 HB1 ALA 127 HB1 ALA 127 123.380 8.932 11.721 974 HB2 ALA 127 HB2 ALA 127 123.184 8.289 10.090 975 HB3 ALA 127 HB3 ALA 127 123.969 9.850 10.334 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 114.893 15.265 -6.356 2 H2 GLU 1 HT2 GLU 1 116.065 14.190 -6.955 3 H3 GLU 1 HT3 GLU 1 116.470 15.813 -6.652 4 HA GLU 1 HA GLU 1 117.354 14.746 -4.822 5 HB2 GLU 1 HB2 GLU 1 115.843 16.611 -4.184 6 HB3 GLU 1 HB1 GLU 1 114.512 15.462 -4.040 7 HG2 GLU 1 HG2 GLU 1 115.713 14.249 -2.281 8 HG3 GLU 1 HG1 GLU 1 117.090 15.338 -2.448 9 H LYS 2 HN LYS 2 117.629 12.498 -5.240 10 HA LYS 2 HA LYS 2 115.391 10.651 -4.943 11 HB2 LYS 2 HB2 LYS 2 118.381 10.200 -5.149 12 HB3 LYS 2 HB1 LYS 2 117.190 8.900 -5.094 13 HG2 LYS 2 HG2 LYS 2 116.095 9.829 -7.113 14 HG3 LYS 2 HG1 LYS 2 117.314 11.102 -7.178 15 HD2 LYS 2 HD2 LYS 2 119.084 9.400 -7.431 16 HD3 LYS 2 HD1 LYS 2 117.864 8.129 -7.368 17 HE2 LYS 2 HE2 LYS 2 116.790 9.031 -9.387 18 HE3 LYS 2 HE1 LYS 2 117.986 10.327 -9.451 19 HZ1 LYS 2 HZ1 LYS 2 119.691 8.825 -9.922 20 HZ2 LYS 2 HZ2 LYS 2 118.397 8.296 -10.887 21 HZ3 LYS 2 HZ3 LYS 2 118.776 7.477 -9.447 22 H VAL 3 HN VAL 3 115.271 9.024 -3.226 23 HA VAL 3 HA VAL 3 116.111 10.161 -0.621 24 HB VAL 3 HB VAL 3 114.233 7.887 -1.330 25 HG11 VAL 3 HG11 VAL 3 115.299 7.549 0.877 26 HG12 VAL 3 HG12 VAL 3 113.597 7.952 1.049 27 HG13 VAL 3 HG13 VAL 3 114.824 9.177 1.351 28 HG21 VAL 3 HG21 VAL 3 113.189 9.919 -1.950 29 HG22 VAL 3 HG22 VAL 3 113.860 10.783 -0.567 30 HG23 VAL 3 HG23 VAL 3 112.576 9.599 -0.327 31 H LYS 4 HN LYS 4 117.687 9.212 0.633 32 HA LYS 4 HA LYS 4 119.301 7.084 -0.489 33 HB2 LYS 4 HB2 LYS 4 119.268 8.542 2.148 34 HB3 LYS 4 HB1 LYS 4 120.270 7.108 1.943 35 HG2 LYS 4 HG2 LYS 4 121.513 9.203 1.436 36 HG3 LYS 4 HG1 LYS 4 121.406 8.135 0.037 37 HD2 LYS 4 HD2 LYS 4 119.581 9.441 -0.889 38 HD3 LYS 4 HD1 LYS 4 119.516 10.446 0.560 39 HE2 LYS 4 HE2 LYS 4 121.809 11.240 0.104 40 HE3 LYS 4 HE1 LYS 4 121.871 10.230 -1.340 41 HZ1 LYS 4 HZ1 LYS 4 119.544 11.892 -1.254 42 HZ2 LYS 4 HZ2 LYS 4 120.693 11.703 -2.490 43 HZ3 LYS 4 HZ3 LYS 4 120.977 12.798 -1.223 44 H GLY 5 HN GLY 5 118.882 4.932 -0.338 45 HA2 GLY 5 HA2 GLY 5 118.047 3.553 1.953 46 HA3 GLY 5 HA1 GLY 5 116.581 3.962 1.073 47 H CYS 6 HN CYS 6 116.826 1.376 1.204 48 HA CYS 6 HA CYS 6 118.158 0.515 -1.341 49 HB2 CYS 6 HB2 CYS 6 118.890 -0.436 0.970 50 HB3 CYS 6 HB1 CYS 6 117.410 -1.378 0.869 51 H ASP 7 HN ASP 7 116.876 -0.405 -2.857 52 HA ASP 7 HA ASP 7 114.020 -0.946 -2.141 53 HB2 ASP 7 HB2 ASP 7 114.329 0.959 -3.703 54 HB3 ASP 7 HB1 ASP 7 115.160 -0.123 -4.822 55 H PHE 8 HN PHE 8 113.786 -3.129 -1.972 56 HA PHE 8 HA PHE 8 115.459 -4.929 -3.610 57 HB2 PHE 8 HB2 PHE 8 113.299 -5.488 -1.554 58 HB3 PHE 8 HB1 PHE 8 114.272 -6.727 -2.344 59 HD1 PHE 8 HD2 PHE 8 116.795 -6.675 -2.044 60 HD2 PHE 8 HD1 PHE 8 114.125 -4.266 0.303 61 HE1 PHE 8 HE2 PHE 8 118.582 -6.338 -0.359 62 HE2 PHE 8 HE1 PHE 8 115.911 -3.929 1.989 63 HZ PHE 8 HZ PHE 8 118.140 -4.965 1.658 64 H THR 9 HN THR 9 112.791 -3.168 -4.234 65 HA THR 9 HA THR 9 111.375 -5.306 -5.741 66 HB THR 9 HB THR 9 110.568 -2.456 -5.090 67 HG1 THR 9 HG1 THR 9 110.644 -4.032 -3.357 68 HG21 THR 9 HG21 THR 9 109.457 -3.041 -7.104 69 HG22 THR 9 HG22 THR 9 108.292 -3.383 -5.826 70 HG23 THR 9 HG23 THR 9 109.197 -4.702 -6.569 71 H THR 10 HN THR 10 113.476 -2.581 -6.232 72 HA THR 10 HA THR 10 113.403 -3.084 -9.126 73 HB THR 10 HB THR 10 112.790 -0.290 -8.143 74 HG1 THR 10 HG1 THR 10 110.965 -1.306 -7.660 75 HG21 THR 10 HG21 THR 10 113.817 -0.955 -10.492 76 HG22 THR 10 HG22 THR 10 112.545 0.260 -10.381 77 HG23 THR 10 HG23 THR 10 112.146 -1.391 -10.852 78 H SER 11 HN SER 11 115.470 -2.899 -9.868 79 HA SER 11 HA SER 11 117.591 -1.976 -8.166 80 HB2 SER 11 HB2 SER 11 117.462 -2.596 -11.123 81 HB3 SER 11 HB1 SER 11 118.952 -2.108 -10.321 82 HG SER 11 HG SER 11 118.872 -3.923 -9.080 83 H GLU 12 HN GLU 12 115.549 -0.432 -10.528 84 HA GLU 12 HA GLU 12 117.137 2.093 -10.238 85 HB2 GLU 12 HB2 GLU 12 115.276 1.154 -12.442 86 HB3 GLU 12 HB1 GLU 12 115.949 2.782 -12.349 87 HG2 GLU 12 HG2 GLU 12 117.476 1.680 -13.750 88 HG3 GLU 12 HG1 GLU 12 118.248 1.556 -12.168 89 H SER 13 HN SER 13 115.901 2.236 -8.122 90 HA SER 13 HA SER 13 113.025 2.614 -8.238 91 HB2 SER 13 HB2 SER 13 114.979 3.424 -6.076 92 HB3 SER 13 HB1 SER 13 113.233 3.276 -5.897 93 HG SER 13 HG SER 13 113.720 1.297 -5.374 94 H THR 14 HN THR 14 112.112 4.358 -9.128 95 HA THR 14 HA THR 14 113.496 6.818 -9.687 96 HB THR 14 HB THR 14 111.493 6.109 -10.953 97 HG1 THR 14 HG1 THR 14 110.889 8.117 -11.200 98 HG21 THR 14 HG21 THR 14 109.368 5.895 -9.990 99 HG22 THR 14 HG22 THR 14 109.805 6.859 -8.581 100 HG23 THR 14 HG23 THR 14 110.417 5.214 -8.748 101 H ILE 15 HN ILE 15 112.749 5.542 -6.795 102 HA ILE 15 HA ILE 15 112.266 8.220 -5.542 103 HB ILE 15 HB ILE 15 111.181 6.876 -3.671 104 HG12 ILE 15 HG12 ILE 15 111.070 4.742 -5.824 105 HG13 ILE 15 HG11 ILE 15 112.177 4.693 -4.453 106 HG21 ILE 15 HG21 ILE 15 109.058 6.902 -4.740 107 HG22 ILE 15 HG22 ILE 15 109.761 6.569 -6.320 108 HG23 ILE 15 HG23 ILE 15 109.993 8.146 -5.568 109 HD11 ILE 15 HD11 ILE 15 110.310 4.682 -2.886 110 HD12 ILE 15 HD12 ILE 15 110.085 3.381 -4.055 111 HD13 ILE 15 HD13 ILE 15 109.162 4.874 -4.210 112 H PHE 16 HN PHE 16 113.910 5.077 -5.259 113 HA PHE 16 HA PHE 16 115.588 6.257 -3.083 114 HB2 PHE 16 HB2 PHE 16 114.958 3.403 -3.831 115 HB3 PHE 16 HB1 PHE 16 116.307 3.811 -2.778 116 HD1 PHE 16 HD2 PHE 16 115.764 5.389 -0.759 117 HD2 PHE 16 HD1 PHE 16 112.814 3.143 -2.930 118 HE1 PHE 16 HE2 PHE 16 114.199 5.585 1.156 119 HE2 PHE 16 HE1 PHE 16 111.251 3.350 -1.018 120 HZ PHE 16 HZ PHE 16 111.944 4.568 1.026 121 H SER 17 HN SER 17 117.752 6.523 -3.401 122 HA SER 17 HA SER 17 118.794 6.516 -6.078 123 HB2 SER 17 HB2 SER 17 119.588 8.061 -4.318 124 HB3 SER 17 HB1 SER 17 120.285 6.696 -3.450 125 HG SER 17 HG SER 17 121.954 6.991 -4.679 126 H LYS 18 HN LYS 18 118.655 4.024 -3.671 127 HA LYS 18 HA LYS 18 120.480 2.377 -5.389 128 HB2 LYS 18 HB2 LYS 18 120.321 2.357 -2.360 129 HB3 LYS 18 HB1 LYS 18 121.315 1.282 -3.344 130 HG2 LYS 18 HG2 LYS 18 121.570 4.268 -3.609 131 HG3 LYS 18 HG1 LYS 18 122.441 3.399 -2.345 132 HD2 LYS 18 HD2 LYS 18 123.435 1.925 -4.085 133 HD3 LYS 18 HD1 LYS 18 122.623 2.868 -5.329 134 HE2 LYS 18 HE2 LYS 18 123.812 4.892 -4.606 135 HE3 LYS 18 HE1 LYS 18 124.625 3.964 -3.345 136 HZ1 LYS 18 HZ1 LYS 18 124.990 2.568 -5.704 137 HZ2 LYS 18 HZ2 LYS 18 126.158 3.443 -4.834 138 HZ3 LYS 18 HZ3 LYS 18 125.286 4.193 -6.084 139 H GLY 19 HN GLY 19 119.824 0.303 -5.800 140 HA2 GLY 19 HA2 GLY 19 117.702 -0.967 -4.254 141 HA3 GLY 19 HA1 GLY 19 117.173 -0.448 -5.852 142 H TYR 20 HN TYR 20 117.047 -3.096 -5.455 143 HA TYR 20 HA TYR 20 119.416 -4.160 -6.947 144 HB2 TYR 20 HB2 TYR 20 117.902 -5.380 -4.635 145 HB3 TYR 20 HB1 TYR 20 118.878 -6.355 -5.733 146 HD1 TYR 20 HD1 TYR 20 119.037 -3.372 -3.486 147 HD2 TYR 20 HD2 TYR 20 121.209 -6.516 -5.446 148 HE1 TYR 20 HE1 TYR 20 121.078 -2.748 -2.226 149 HE2 TYR 20 HE2 TYR 20 123.252 -5.891 -4.187 150 HH TYR 20 HH TYR 20 123.836 -4.739 -2.092 151 H SER 21 HN SER 21 118.869 -6.103 -8.239 152 HA SER 21 HA SER 21 116.137 -5.828 -9.394 153 HB2 SER 21 HB2 SER 21 117.807 -5.742 -11.088 154 HB3 SER 21 HB1 SER 21 118.702 -7.085 -10.383 155 HG SER 21 HG SER 21 116.052 -7.302 -11.371 156 H ILE 22 HN ILE 22 114.880 -7.815 -9.822 157 HA ILE 22 HA ILE 22 114.718 -9.555 -7.594 158 HB ILE 22 HB ILE 22 113.259 -10.952 -9.017 159 HG12 ILE 22 HG12 ILE 22 114.088 -9.079 -11.256 160 HG13 ILE 22 HG11 ILE 22 114.667 -10.736 -11.088 161 HG21 ILE 22 HG21 ILE 22 112.380 -8.871 -8.015 162 HG22 ILE 22 HG22 ILE 22 111.619 -9.202 -9.572 163 HG23 ILE 22 HG23 ILE 22 112.879 -7.975 -9.449 164 HD11 ILE 22 HD11 ILE 22 111.854 -9.788 -11.629 165 HD12 ILE 22 HD12 ILE 22 112.181 -11.410 -11.016 166 HD13 ILE 22 HD13 ILE 22 112.833 -10.909 -12.576 167 H ASN 23 HN ASN 23 116.620 -9.770 -10.538 168 HA ASN 23 HA ASN 23 117.333 -12.543 -10.310 169 HB2 ASN 23 HB2 ASN 23 117.693 -11.244 -12.381 170 HB3 ASN 23 HB1 ASN 23 118.898 -10.259 -11.550 171 HD21 ASN 23 HD21 ASN 23 120.972 -10.943 -12.082 172 HD22 ASN 23 HD22 ASN 23 121.438 -12.558 -12.322 173 H GLU 24 HN GLU 24 118.801 -9.566 -9.046 174 HA GLU 24 HA GLU 24 121.133 -10.821 -7.951 175 HB2 GLU 24 HB2 GLU 24 119.692 -8.276 -7.152 176 HB3 GLU 24 HB1 GLU 24 121.276 -8.754 -6.541 177 HG2 GLU 24 HG2 GLU 24 120.604 -8.363 -9.472 178 HG3 GLU 24 HG1 GLU 24 121.447 -7.184 -8.466 179 H ILE 25 HN ILE 25 117.931 -10.116 -6.539 180 HA ILE 25 HA ILE 25 118.766 -11.349 -3.995 181 HB ILE 25 HB ILE 25 116.360 -10.896 -3.346 182 HG12 ILE 25 HG12 ILE 25 116.301 -9.409 -5.983 183 HG13 ILE 25 HG11 ILE 25 115.530 -10.978 -5.739 184 HG21 ILE 25 HG21 ILE 25 117.833 -9.232 -2.632 185 HG22 ILE 25 HG22 ILE 25 116.714 -8.308 -3.632 186 HG23 ILE 25 HG23 ILE 25 118.284 -8.785 -4.276 187 HD11 ILE 25 HD11 ILE 25 114.945 -8.495 -4.097 188 HD12 ILE 25 HD12 ILE 25 114.125 -10.052 -3.967 189 HD13 ILE 25 HD13 ILE 25 113.942 -9.078 -5.427 190 H SER 26 HN SER 26 117.325 -12.335 -6.954 191 HA SER 26 HA SER 26 116.108 -14.745 -5.727 192 HB2 SER 26 HB2 SER 26 116.226 -13.893 -8.636 193 HB3 SER 26 HB1 SER 26 115.268 -15.216 -7.980 194 HG SER 26 HG SER 26 114.050 -13.744 -6.843 195 H ASN 27 HN ASN 27 118.075 -14.372 -8.689 196 HA ASN 27 HA ASN 27 119.184 -16.945 -8.691 197 HB2 ASN 27 HB2 ASN 27 119.436 -15.235 -10.518 198 HB3 ASN 27 HB1 ASN 27 120.640 -14.415 -9.522 199 HD21 ASN 27 HD21 ASN 27 122.343 -14.902 -11.116 200 HD22 ASN 27 HD22 ASN 27 122.971 -16.472 -11.260 201 H LYS 28 HN LYS 28 119.634 -17.492 -6.475 202 HA LYS 28 HA LYS 28 121.190 -16.138 -4.611 203 HB2 LYS 28 HB2 LYS 28 122.033 -18.513 -3.969 204 HB3 LYS 28 HB1 LYS 28 120.298 -18.200 -3.894 205 HG2 LYS 28 HG2 LYS 28 120.022 -19.175 -6.146 206 HG3 LYS 28 HG1 LYS 28 121.755 -19.495 -6.220 207 HD2 LYS 28 HD2 LYS 28 121.582 -20.963 -4.254 208 HD3 LYS 28 HD1 LYS 28 119.850 -20.638 -4.158 209 HE2 LYS 28 HE2 LYS 28 119.534 -21.613 -6.398 210 HE3 LYS 28 HE1 LYS 28 121.266 -21.927 -6.510 211 HZ1 LYS 28 HZ1 LYS 28 120.459 -23.924 -5.754 212 HZ2 LYS 28 HZ2 LYS 28 119.254 -23.211 -4.792 213 HZ3 LYS 28 HZ3 LYS 28 120.877 -23.170 -4.294 214 H SER 29 HN SER 29 122.905 -14.934 -5.498 215 HA SER 29 HA SER 29 125.348 -16.461 -6.057 216 HB2 SER 29 HB2 SER 29 124.253 -14.548 -8.141 217 HB3 SER 29 HB1 SER 29 125.758 -15.455 -8.242 218 HG SER 29 HG SER 29 124.256 -17.347 -7.907 219 H SER 30 HN SER 30 124.129 -14.331 -4.225 220 HA SER 30 HA SER 30 125.707 -11.925 -4.761 221 HB2 SER 30 HB2 SER 30 123.575 -11.728 -3.587 222 HB3 SER 30 HB1 SER 30 124.149 -12.799 -2.313 223 HG SER 30 HG SER 30 124.963 -10.177 -2.964 224 H ASN 31 HN ASN 31 127.453 -11.165 -3.369 225 HA ASN 31 HA ASN 31 129.498 -13.027 -2.870 226 HB2 ASN 31 HB2 ASN 31 130.535 -11.272 -1.464 227 HB3 ASN 31 HB1 ASN 31 129.887 -10.594 -2.959 228 HD21 ASN 31 HD21 ASN 31 130.280 -9.117 -0.431 229 HD22 ASN 31 HD22 ASN 31 128.745 -8.582 0.059 230 H ASN 32 HN ASN 32 127.321 -11.557 -0.424 231 HA ASN 32 HA ASN 32 128.222 -13.343 1.668 232 HB2 ASN 32 HB2 ASN 32 126.215 -12.466 2.899 233 HB3 ASN 32 HB1 ASN 32 127.263 -11.194 2.270 234 HD21 ASN 32 HD21 ASN 32 125.539 -9.624 2.043 235 HD22 ASN 32 HD22 ASN 32 124.307 -9.802 0.888 236 H GLN 33 HN GLN 33 126.340 -14.662 2.850 237 HA GLN 33 HA GLN 33 125.529 -16.707 0.947 238 HB2 GLN 33 HB2 GLN 33 124.587 -17.846 2.915 239 HB3 GLN 33 HB1 GLN 33 126.219 -17.271 3.255 240 HG2 GLN 33 HG2 GLN 33 125.293 -15.277 4.371 241 HG3 GLN 33 HG1 GLN 33 123.658 -15.843 4.029 242 HE21 GLN 33 HE21 GLN 33 126.153 -15.955 6.350 243 HE22 GLN 33 HE22 GLN 33 125.569 -17.260 7.265 244 H GLN 34 HN GLN 34 122.970 -17.260 2.403 245 HA GLN 34 HA GLN 34 121.219 -15.808 0.633 246 HB2 GLN 34 HB2 GLN 34 119.420 -16.842 2.178 247 HB3 GLN 34 HB1 GLN 34 120.448 -17.951 1.273 248 HG2 GLN 34 HG2 GLN 34 121.355 -17.074 3.993 249 HG3 GLN 34 HG1 GLN 34 120.064 -18.270 3.886 250 HE21 GLN 34 HE21 GLN 34 122.281 -18.285 1.221 251 HE22 GLN 34 HE22 GLN 34 123.171 -19.651 1.694 252 H ASP 35 HN ASP 35 122.767 -13.988 2.180 253 HA ASP 35 HA ASP 35 120.585 -12.624 3.703 254 HB2 ASP 35 HB2 ASP 35 123.503 -12.901 4.479 255 HB3 ASP 35 HB1 ASP 35 122.385 -11.773 5.247 256 H ILE 36 HN ILE 36 120.117 -10.894 2.397 257 HA ILE 36 HA ILE 36 122.363 -9.526 1.000 258 HB ILE 36 HB ILE 36 119.375 -9.045 0.768 259 HG12 ILE 36 HG12 ILE 36 119.888 -11.311 0.035 260 HG13 ILE 36 HG11 ILE 36 119.623 -10.305 -1.389 261 HG21 ILE 36 HG21 ILE 36 120.044 -7.921 -1.352 262 HG22 ILE 36 HG22 ILE 36 121.736 -8.191 -0.933 263 HG23 ILE 36 HG23 ILE 36 120.739 -7.135 0.067 264 HD11 ILE 36 HD11 ILE 36 122.219 -9.931 -1.281 265 HD12 ILE 36 HD12 ILE 36 121.590 -11.430 -1.959 266 HD13 ILE 36 HD13 ILE 36 122.202 -11.399 -0.306 267 H VAL 37 HN VAL 37 123.206 -7.705 1.899 268 HA VAL 37 HA VAL 37 121.511 -6.220 3.877 269 HB VAL 37 HB VAL 37 124.476 -6.782 3.889 270 HG11 VAL 37 HG11 VAL 37 122.834 -4.697 5.308 271 HG12 VAL 37 HG12 VAL 37 124.422 -4.537 4.559 272 HG13 VAL 37 HG13 VAL 37 124.254 -5.386 6.095 273 HG21 VAL 37 HG21 VAL 37 124.049 -8.076 5.765 274 HG22 VAL 37 HG22 VAL 37 122.539 -8.323 4.889 275 HG23 VAL 37 HG23 VAL 37 122.614 -7.153 6.208 276 H CYS 38 HN CYS 38 121.166 -4.111 3.416 277 HA CYS 38 HA CYS 38 122.756 -2.909 1.191 278 HB2 CYS 38 HB2 CYS 38 120.133 -2.055 2.468 279 HB3 CYS 38 HB1 CYS 38 120.952 -1.201 1.158 280 H THR 39 HN THR 39 124.612 -2.104 2.239 281 HA THR 39 HA THR 39 124.226 -0.536 4.719 282 HB THR 39 HB THR 39 126.722 -1.427 3.243 283 HG1 THR 39 HG1 THR 39 125.097 -2.551 5.064 284 HG21 THR 39 HG21 THR 39 126.293 0.286 5.680 285 HG22 THR 39 HG22 THR 39 127.379 0.556 4.317 286 HG23 THR 39 HG23 THR 39 127.755 -0.685 5.512 287 H VAL 40 HN VAL 40 123.931 1.605 4.564 288 HA VAL 40 HA VAL 40 125.348 3.095 2.396 289 HB VAL 40 HB VAL 40 123.397 4.273 1.708 290 HG11 VAL 40 HG11 VAL 40 121.852 2.474 1.019 291 HG12 VAL 40 HG12 VAL 40 122.599 1.384 2.187 292 HG13 VAL 40 HG13 VAL 40 123.531 1.977 0.812 293 HG21 VAL 40 HG21 VAL 40 121.167 3.573 2.967 294 HG22 VAL 40 HG22 VAL 40 122.206 4.838 3.625 295 HG23 VAL 40 HG23 VAL 40 122.285 3.204 4.280 296 H LYS 41 HN LYS 41 125.536 5.425 2.919 297 HA LYS 41 HA LYS 41 125.651 5.815 5.866 298 HB2 LYS 41 HB2 LYS 41 127.708 6.273 4.601 299 HB3 LYS 41 HB1 LYS 41 126.843 7.445 3.608 300 HG2 LYS 41 HG2 LYS 41 126.397 8.834 5.563 301 HG3 LYS 41 HG1 LYS 41 127.137 7.632 6.621 302 HD2 LYS 41 HD2 LYS 41 128.865 9.199 6.297 303 HD3 LYS 41 HD1 LYS 41 129.239 7.935 5.124 304 HE2 LYS 41 HE2 LYS 41 128.218 9.218 3.333 305 HE3 LYS 41 HE1 LYS 41 127.649 10.432 4.477 306 HZ1 LYS 41 HZ1 LYS 41 129.965 10.906 5.036 307 HZ2 LYS 41 HZ2 LYS 41 129.651 11.172 3.387 308 HZ3 LYS 41 HZ3 LYS 41 130.482 9.776 3.883 309 H ALA 42 HN ALA 42 124.082 6.992 6.833 310 HA ALA 42 HA ALA 42 122.205 8.529 5.143 311 HB1 ALA 42 HB1 ALA 42 122.078 8.226 8.147 312 HB2 ALA 42 HB2 ALA 42 121.522 6.950 7.064 313 HB3 ALA 42 HB3 ALA 42 120.759 8.537 7.022 314 H HIS 43 HN HIS 43 121.704 10.777 5.622 315 HA HIS 43 HA HIS 43 123.816 12.210 7.182 316 HB2 HIS 43 HB2 HIS 43 124.107 12.230 4.600 317 HB3 HIS 43 HB1 HIS 43 122.723 13.322 4.607 318 HD1 HIS 43 HD1 HIS 43 123.015 15.639 5.785 319 HD2 HIS 43 HD2 HIS 43 126.501 13.353 5.616 320 HE1 HIS 43 HE1 HIS 43 124.926 17.197 6.376 321 HE2 HIS 43 HE2 HIS 43 127.050 15.815 6.276 322 H ALA 44 HN ALA 44 123.107 14.213 8.088 323 HA ALA 44 HA ALA 44 120.455 14.259 9.071 324 HB1 ALA 44 HB1 ALA 44 121.307 16.930 9.121 325 HB2 ALA 44 HB2 ALA 44 122.796 15.996 9.163 326 HB3 ALA 44 HB3 ALA 44 121.560 15.735 10.391 327 H ASN 45 HN ASN 45 121.798 15.592 6.119 328 HA ASN 45 HA ASN 45 119.281 17.044 5.549 329 HB2 ASN 45 HB2 ASN 45 121.706 17.880 5.037 330 HB3 ASN 45 HB1 ASN 45 121.596 16.808 3.640 331 HD21 ASN 45 HD21 ASN 45 121.349 18.389 1.982 332 HD22 ASN 45 HD22 ASN 45 120.042 19.468 1.912 333 H ASP 46 HN ASP 46 120.975 14.125 4.674 334 HA ASP 46 HA ASP 46 119.418 13.616 2.268 335 HB2 ASP 46 HB2 ASP 46 121.166 11.825 3.978 336 HB3 ASP 46 HB1 ASP 46 120.426 11.318 2.464 337 H LEU 47 HN LEU 47 117.491 12.507 2.104 338 HA LEU 47 HA LEU 47 116.024 11.922 4.567 339 HB2 LEU 47 HB2 LEU 47 115.295 11.376 1.672 340 HB3 LEU 47 HB1 LEU 47 114.197 11.259 3.047 341 HG LEU 47 HG LEU 47 115.635 13.779 2.163 342 HD11 LEU 47 HD11 LEU 47 113.209 14.477 1.689 343 HD12 LEU 47 HD12 LEU 47 112.813 12.763 1.797 344 HD13 LEU 47 HD13 LEU 47 113.933 13.331 0.560 345 HD21 LEU 47 HD21 LEU 47 113.826 13.077 4.461 346 HD22 LEU 47 HD22 LEU 47 113.793 14.710 3.795 347 HD23 LEU 47 HD23 LEU 47 115.290 14.062 4.462 348 H ILE 48 HN ILE 48 115.365 9.798 5.251 349 HA ILE 48 HA ILE 48 116.936 7.577 3.958 350 HB ILE 48 HB ILE 48 117.121 6.573 6.206 351 HG12 ILE 48 HG12 ILE 48 115.915 9.171 7.203 352 HG13 ILE 48 HG11 ILE 48 115.032 7.653 7.099 353 HG21 ILE 48 HG21 ILE 48 118.501 8.563 7.221 354 HG22 ILE 48 HG22 ILE 48 118.154 9.344 5.682 355 HG23 ILE 48 HG23 ILE 48 119.032 7.815 5.717 356 HD11 ILE 48 HD11 ILE 48 116.227 6.665 8.815 357 HD12 ILE 48 HD12 ILE 48 116.242 8.345 9.348 358 HD13 ILE 48 HD13 ILE 48 117.652 7.665 8.539 359 H GLY 49 HN GLY 49 115.888 5.620 3.677 360 HA2 GLY 49 HA2 GLY 49 113.462 4.806 4.922 361 HA3 GLY 49 HA1 GLY 49 113.028 5.647 3.433 362 H PHE 50 HN PHE 50 112.225 3.293 3.016 363 HA PHE 50 HA PHE 50 113.994 2.098 1.095 364 HB2 PHE 50 HB2 PHE 50 114.558 0.026 2.173 365 HB3 PHE 50 HB1 PHE 50 115.059 1.325 3.252 366 HD1 PHE 50 HD2 PHE 50 113.845 1.796 5.322 367 HD2 PHE 50 HD1 PHE 50 112.631 -1.379 2.696 368 HE1 PHE 50 HE2 PHE 50 112.402 0.867 7.112 369 HE2 PHE 50 HE1 PHE 50 111.189 -2.308 4.486 370 HZ PHE 50 HZ PHE 50 111.078 -1.191 6.696 371 H LYS 51 HN LYS 51 113.029 -0.103 0.351 372 HA LYS 51 HA LYS 51 110.133 -0.334 0.940 373 HB2 LYS 51 HB2 LYS 51 110.303 1.283 -0.927 374 HB3 LYS 51 HB1 LYS 51 111.203 0.090 -1.863 375 HG2 LYS 51 HG2 LYS 51 109.289 -1.441 -1.790 376 HG3 LYS 51 HG1 LYS 51 108.387 -0.292 -0.800 377 HD2 LYS 51 HD2 LYS 51 108.517 1.374 -2.627 378 HD3 LYS 51 HD1 LYS 51 109.392 0.207 -3.619 379 HE2 LYS 51 HE2 LYS 51 107.466 -1.334 -3.512 380 HE3 LYS 51 HE1 LYS 51 106.589 -0.167 -2.523 381 HZ1 LYS 51 HZ1 LYS 51 106.350 -0.254 -5.140 382 HZ2 LYS 51 HZ2 LYS 51 107.689 0.788 -5.050 383 HZ3 LYS 51 HZ3 LYS 51 106.236 1.199 -4.273 384 H CYS 52 HN CYS 52 109.323 -2.416 0.543 385 HA CYS 52 HA CYS 52 111.281 -4.420 -0.487 386 HB2 CYS 52 HB2 CYS 52 109.356 -4.637 1.853 387 HB3 CYS 52 HB1 CYS 52 110.220 -6.012 1.177 388 HA PRO 53 HA PRO 53 108.194 -5.621 -3.423 389 HB2 PRO 53 HB2 PRO 53 108.233 -8.423 -2.997 390 HB3 PRO 53 HB1 PRO 53 109.225 -7.518 -4.151 391 HG2 PRO 53 HG2 PRO 53 109.910 -8.506 -1.447 392 HG3 PRO 53 HG1 PRO 53 110.935 -8.331 -2.878 393 HD2 PRO 53 HD2 PRO 53 111.103 -6.632 -0.803 394 HD3 PRO 53 HD1 PRO 53 111.311 -6.065 -2.475 395 H SER 54 HN SER 54 105.982 -6.191 -3.515 396 HA SER 54 HA SER 54 104.543 -6.041 -1.017 397 HB2 SER 54 HB2 SER 54 103.632 -6.640 -3.840 398 HB3 SER 54 HB1 SER 54 102.531 -6.434 -2.480 399 HG SER 54 HG SER 54 102.743 -4.374 -2.776 400 H ASN 55 HN ASN 55 105.944 -8.686 -2.660 401 HA ASN 55 HA ASN 55 103.970 -10.625 -1.603 402 HB2 ASN 55 HB2 ASN 55 106.503 -11.016 -3.227 403 HB3 ASN 55 HB1 ASN 55 105.387 -12.303 -2.772 404 HD21 ASN 55 HD21 ASN 55 106.139 -10.552 -5.398 405 HD22 ASN 55 HD22 ASN 55 104.611 -10.374 -6.115 406 H TYR 56 HN TYR 56 106.530 -8.992 -0.332 407 HA TYR 56 HA TYR 56 107.430 -11.301 1.347 408 HB2 TYR 56 HB2 TYR 56 108.740 -8.731 0.524 409 HB3 TYR 56 HB1 TYR 56 109.278 -9.585 1.970 410 HD1 TYR 56 HD1 TYR 56 108.385 -10.333 -1.604 411 HD2 TYR 56 HD2 TYR 56 110.952 -11.175 1.727 412 HE1 TYR 56 HE1 TYR 56 109.698 -11.893 -3.012 413 HE2 TYR 56 HE2 TYR 56 112.265 -12.743 0.324 414 HH TYR 56 HH TYR 56 112.292 -13.869 -1.634 415 H SER 57 HN SER 57 107.872 -10.781 3.668 416 HA SER 57 HA SER 57 105.706 -8.986 4.685 417 HB2 SER 57 HB2 SER 57 107.228 -11.232 6.045 418 HB3 SER 57 HB1 SER 57 105.966 -10.263 6.802 419 HG SER 57 HG SER 57 104.489 -11.111 5.405 420 H VAL 58 HN VAL 58 106.309 -7.103 5.686 421 HA VAL 58 HA VAL 58 109.191 -6.612 6.060 422 HB VAL 58 HB VAL 58 108.628 -4.313 6.295 423 HG11 VAL 58 HG11 VAL 58 107.550 -3.887 4.262 424 HG12 VAL 58 HG12 VAL 58 106.436 -5.241 4.455 425 HG13 VAL 58 HG13 VAL 58 108.125 -5.539 4.043 426 HG21 VAL 58 HG21 VAL 58 106.054 -3.770 6.400 427 HG22 VAL 58 HG22 VAL 58 106.913 -4.189 7.880 428 HG23 VAL 58 HG23 VAL 58 105.928 -5.402 7.053 429 H GLU 59 HN GLU 59 110.100 -7.215 7.923 430 HA GLU 59 HA GLU 59 108.548 -6.907 10.456 431 HB2 GLU 59 HB2 GLU 59 110.475 -9.026 9.553 432 HB3 GLU 59 HB1 GLU 59 110.277 -8.694 11.273 433 HG2 GLU 59 HG2 GLU 59 108.116 -9.490 11.329 434 HG3 GLU 59 HG1 GLU 59 107.793 -9.049 9.649 435 HA PRO 60 HA PRO 60 111.982 -4.073 11.116 436 HB2 PRO 60 HB2 PRO 60 111.264 -3.126 13.554 437 HB3 PRO 60 HB1 PRO 60 110.397 -2.672 12.073 438 HG2 PRO 60 HG2 PRO 60 109.664 -4.665 14.160 439 HG3 PRO 60 HG1 PRO 60 108.637 -3.505 13.298 440 HD2 PRO 60 HD2 PRO 60 108.820 -6.177 12.632 441 HD3 PRO 60 HD1 PRO 60 108.366 -4.894 11.485 442 H HIS 61 HN HIS 61 113.934 -5.045 11.567 443 HA HIS 61 HA HIS 61 114.179 -6.752 13.981 444 HB2 HIS 61 HB2 HIS 61 115.137 -7.370 11.665 445 HB3 HIS 61 HB1 HIS 61 116.380 -6.164 12.004 446 HD1 HIS 61 HD1 HIS 61 116.613 -6.728 15.091 447 HD2 HIS 61 HD2 HIS 61 116.710 -9.659 12.126 448 HE1 HIS 61 HE1 HIS 61 117.810 -8.723 16.094 449 HE2 HIS 61 HE2 HIS 61 117.874 -10.513 14.298 450 H ASP 62 HN ASP 62 114.955 -3.632 12.743 451 HA ASP 62 HA ASP 62 115.707 -2.603 15.315 452 HB2 ASP 62 HB2 ASP 62 117.813 -3.848 14.747 453 HB3 ASP 62 HB1 ASP 62 117.969 -2.846 13.304 454 H CYS 63 HN CYS 63 113.797 -1.782 13.606 455 HA CYS 63 HA CYS 63 114.727 0.260 11.757 456 HB2 CYS 63 HB2 CYS 63 111.972 -0.324 12.885 457 HB3 CYS 63 HB1 CYS 63 112.302 0.827 11.590 458 H PHE 64 HN PHE 64 112.672 2.271 12.561 459 HA PHE 64 HA PHE 64 114.221 3.452 14.833 460 HB2 PHE 64 HB2 PHE 64 113.264 5.636 13.928 461 HB3 PHE 64 HB1 PHE 64 114.493 4.842 12.946 462 HD1 PHE 64 HD2 PHE 64 113.728 3.360 11.014 463 HD2 PHE 64 HD1 PHE 64 111.096 6.047 13.088 464 HE1 PHE 64 HE2 PHE 64 112.137 3.267 9.115 465 HE2 PHE 64 HE1 PHE 64 109.506 5.955 11.188 466 HZ PHE 64 HZ PHE 64 110.026 4.567 9.204 467 H VAL 65 HN VAL 65 110.852 3.642 13.527 468 HA VAL 65 HA VAL 65 109.634 4.776 15.761 469 HB VAL 65 HB VAL 65 108.630 2.600 13.916 470 HG11 VAL 65 HG11 VAL 65 106.345 3.362 14.976 471 HG12 VAL 65 HG12 VAL 65 107.352 3.812 16.353 472 HG13 VAL 65 HG13 VAL 65 107.316 2.139 15.796 473 HG21 VAL 65 HG21 VAL 65 107.575 5.403 14.256 474 HG22 VAL 65 HG22 VAL 65 107.464 4.347 12.849 475 HG23 VAL 65 HG23 VAL 65 109.003 5.101 13.265 476 H SER 66 HN SER 66 109.575 1.238 15.288 477 HA SER 66 HA SER 66 110.441 0.858 18.090 478 HB2 SER 66 HB2 SER 66 107.947 0.970 18.156 479 HB3 SER 66 HB1 SER 66 107.882 -0.353 16.995 480 HG SER 66 HG SER 66 108.276 -1.689 18.565 481 H ALA 67 HN ALA 67 111.873 -0.857 18.141 482 HA ALA 67 HA ALA 67 111.518 -3.177 16.415 483 HB1 ALA 67 HB1 ALA 67 113.847 -1.341 15.795 484 HB2 ALA 67 HB2 ALA 67 112.388 -1.451 14.814 485 HB3 ALA 67 HB3 ALA 67 113.444 -2.853 14.978 486 H PHE 68 HN PHE 68 113.766 -4.444 16.441 487 HA PHE 68 HA PHE 68 114.545 -4.579 19.295 488 HB2 PHE 68 HB2 PHE 68 115.456 -6.453 17.104 489 HB3 PHE 68 HB1 PHE 68 115.342 -6.770 18.834 490 HD1 PHE 68 HD1 PHE 68 113.240 -5.917 15.864 491 HD2 PHE 68 HD2 PHE 68 113.406 -7.770 19.730 492 HE1 PHE 68 HE1 PHE 68 110.940 -6.791 15.540 493 HE2 PHE 68 HE2 PHE 68 111.104 -8.640 19.409 494 HZ PHE 68 HZ PHE 68 109.873 -8.147 17.304 495 H ASN 69 HN ASN 69 116.678 -4.180 19.978 496 HA ASN 69 HA ASN 69 118.339 -2.628 18.132 497 HB2 ASN 69 HB2 ASN 69 118.876 -3.530 20.979 498 HB3 ASN 69 HB1 ASN 69 119.827 -2.348 20.078 499 HD21 ASN 69 HD21 ASN 69 117.440 -2.512 22.375 500 HD22 ASN 69 HD22 ASN 69 116.655 -1.043 22.065 501 H LEU 70 HN LEU 70 120.912 -3.306 18.740 502 HA LEU 70 HA LEU 70 121.340 -5.655 17.129 503 HB2 LEU 70 HB2 LEU 70 123.131 -3.878 18.785 504 HB3 LEU 70 HB1 LEU 70 123.762 -5.351 18.046 505 HG LEU 70 HG LEU 70 122.857 -4.535 15.837 506 HD11 LEU 70 HD11 LEU 70 122.339 -2.074 17.523 507 HD12 LEU 70 HD12 LEU 70 121.172 -2.982 16.563 508 HD13 LEU 70 HD13 LEU 70 122.424 -2.033 15.761 509 HD21 LEU 70 HD21 LEU 70 124.800 -2.615 17.155 510 HD22 LEU 70 HD22 LEU 70 124.693 -3.005 15.438 511 HD23 LEU 70 HD23 LEU 70 125.246 -4.224 16.587 512 H SER 71 HN SER 71 120.608 -5.224 20.425 513 HA SER 71 HA SER 71 121.892 -7.752 21.272 514 HB2 SER 71 HB2 SER 71 121.871 -5.806 22.821 515 HB3 SER 71 HB1 SER 71 120.109 -5.838 22.813 516 HG SER 71 HG SER 71 121.488 -8.200 23.393 517 H GLY 72 HN GLY 72 119.071 -6.773 19.764 518 HA2 GLY 72 HA2 GLY 72 117.249 -8.130 19.093 519 HA3 GLY 72 HA1 GLY 72 117.834 -9.397 20.170 520 H LYS 73 HN LYS 73 117.474 -6.169 21.411 521 HA LYS 73 HA LYS 73 115.146 -7.120 23.035 522 HB2 LYS 73 HB2 LYS 73 117.197 -4.945 23.568 523 HB3 LYS 73 HB1 LYS 73 115.818 -5.293 24.612 524 HG2 LYS 73 HG2 LYS 73 116.636 -7.599 24.936 525 HG3 LYS 73 HG1 LYS 73 118.014 -7.258 23.889 526 HD2 LYS 73 HD2 LYS 73 118.770 -5.498 25.438 527 HD3 LYS 73 HD1 LYS 73 117.387 -5.820 26.485 528 HE2 LYS 73 HE2 LYS 73 118.178 -8.127 26.835 529 HE3 LYS 73 HE1 LYS 73 119.555 -7.822 25.776 530 HZ1 LYS 73 HZ1 LYS 73 119.275 -7.229 28.515 531 HZ2 LYS 73 HZ2 LYS 73 119.495 -5.779 27.658 532 HZ3 LYS 73 HZ3 LYS 73 120.635 -7.032 27.521 533 H ASN 74 HN ASN 74 113.223 -5.989 22.912 534 HA ASN 74 HA ASN 74 112.809 -4.176 20.714 535 HB2 ASN 74 HB2 ASN 74 111.099 -5.713 21.908 536 HB3 ASN 74 HB1 ASN 74 110.942 -4.392 23.065 537 HD21 ASN 74 HD21 ASN 74 108.857 -3.622 22.438 538 HD22 ASN 74 HD22 ASN 74 108.526 -2.996 20.895 539 H GLU 75 HN GLU 75 112.862 -1.964 20.651 540 HA GLU 75 HA GLU 75 112.802 -0.377 23.124 541 HB2 GLU 75 HB2 GLU 75 115.177 -1.072 22.939 542 HB3 GLU 75 HB1 GLU 75 115.245 -0.341 21.332 543 HG2 GLU 75 HG2 GLU 75 114.809 1.855 22.244 544 HG3 GLU 75 HG1 GLU 75 114.501 1.183 23.845 545 H ASN 76 HN ASN 76 112.914 2.012 22.562 546 HA ASN 76 HA ASN 76 111.628 2.459 19.895 547 HB2 ASN 76 HB2 ASN 76 111.402 3.917 22.529 548 HB3 ASN 76 HB1 ASN 76 110.845 4.629 21.014 549 HD21 ASN 76 HD21 ASN 76 108.661 4.243 20.644 550 HD22 ASN 76 HD22 ASN 76 107.809 2.868 21.159 551 H LEU 77 HN LEU 77 112.543 3.955 18.486 552 HA LEU 77 HA LEU 77 115.224 4.968 19.240 553 HB2 LEU 77 HB2 LEU 77 114.682 3.679 17.058 554 HB3 LEU 77 HB1 LEU 77 113.950 5.185 16.518 555 HG LEU 77 HG LEU 77 116.203 6.283 17.219 556 HD11 LEU 77 HD11 LEU 77 118.110 4.604 16.882 557 HD12 LEU 77 HD12 LEU 77 116.911 3.339 17.133 558 HD13 LEU 77 HD13 LEU 77 117.253 4.497 18.415 559 HD21 LEU 77 HD21 LEU 77 117.066 5.960 15.014 560 HD22 LEU 77 HD22 LEU 77 115.323 5.827 14.858 561 HD23 LEU 77 HD23 LEU 77 116.316 4.372 14.874 562 H GLU 78 HN GLU 78 112.024 6.099 19.078 563 HA GLU 78 HA GLU 78 112.427 8.745 18.089 564 HB2 GLU 78 HB2 GLU 78 110.303 9.269 19.067 565 HB3 GLU 78 HB1 GLU 78 110.200 7.588 18.548 566 HG2 GLU 78 HG2 GLU 78 110.842 6.912 20.897 567 HG3 GLU 78 HG1 GLU 78 110.680 8.607 21.359 568 H ASN 79 HN ASN 79 112.613 7.441 21.414 569 HA ASN 79 HA ASN 79 113.252 9.971 22.628 570 HB2 ASN 79 HB2 ASN 79 114.047 8.593 24.536 571 HB3 ASN 79 HB1 ASN 79 112.468 8.057 23.962 572 HD21 ASN 79 HD21 ASN 79 113.308 5.961 25.110 573 HD22 ASN 79 HD22 ASN 79 114.201 4.883 24.150 574 H LYS 80 HN LYS 80 115.079 7.679 20.788 575 HA LYS 80 HA LYS 80 117.675 8.718 21.701 576 HB2 LYS 80 HB2 LYS 80 117.563 6.355 21.149 577 HB3 LYS 80 HB1 LYS 80 116.917 6.720 19.549 578 HG2 LYS 80 HG2 LYS 80 119.326 6.210 19.426 579 HG3 LYS 80 HG1 LYS 80 119.025 7.882 18.967 580 HD2 LYS 80 HD2 LYS 80 119.812 8.712 21.048 581 HD3 LYS 80 HD1 LYS 80 119.731 7.119 21.803 582 HE2 LYS 80 HE2 LYS 80 121.559 6.325 20.405 583 HE3 LYS 80 HE1 LYS 80 121.583 7.848 19.516 584 HZ1 LYS 80 HZ1 LYS 80 123.259 7.543 21.389 585 HZ2 LYS 80 HZ2 LYS 80 121.949 7.769 22.447 586 HZ3 LYS 80 HZ3 LYS 80 122.385 8.996 21.355 587 H LEU 81 HN LEU 81 115.755 8.706 18.701 588 HA LEU 81 HA LEU 81 117.301 11.107 17.810 589 HB2 LEU 81 HB2 LEU 81 117.756 9.036 16.461 590 HB3 LEU 81 HB1 LEU 81 116.046 8.986 16.043 591 HG LEU 81 HG LEU 81 116.297 11.342 15.141 592 HD11 LEU 81 HD11 LEU 81 118.809 11.748 14.478 593 HD12 LEU 81 HD12 LEU 81 119.149 10.713 15.861 594 HD13 LEU 81 HD13 LEU 81 118.252 12.212 16.082 595 HD21 LEU 81 HD21 LEU 81 116.386 9.166 13.791 596 HD22 LEU 81 HD22 LEU 81 118.130 9.366 13.787 597 HD23 LEU 81 HD23 LEU 81 117.110 10.582 13.031 598 H LYS 82 HN LYS 82 116.031 12.892 17.438 599 HA LYS 82 HA LYS 82 113.143 12.671 17.851 600 HB2 LYS 82 HB2 LYS 82 114.901 15.021 17.066 601 HB3 LYS 82 HB1 LYS 82 113.183 15.140 17.447 602 HG2 LYS 82 HG2 LYS 82 113.569 14.322 19.702 603 HG3 LYS 82 HG1 LYS 82 115.268 14.021 19.341 604 HD2 LYS 82 HD2 LYS 82 115.291 16.102 20.460 605 HD3 LYS 82 HD1 LYS 82 115.386 16.538 18.752 606 HE2 LYS 82 HE2 LYS 82 113.043 17.066 18.672 607 HE3 LYS 82 HE1 LYS 82 112.773 16.380 20.272 608 HZ1 LYS 82 HZ1 LYS 82 113.777 18.969 19.535 609 HZ2 LYS 82 HZ2 LYS 82 114.721 18.195 20.716 610 HZ3 LYS 82 HZ3 LYS 82 113.064 18.456 20.985 611 H LEU 83 HN LEU 83 112.665 11.259 16.008 612 HA LEU 83 HA LEU 83 113.121 12.263 13.299 613 HB2 LEU 83 HB2 LEU 83 111.557 9.911 14.390 614 HB3 LEU 83 HB1 LEU 83 111.681 10.273 12.670 615 HG LEU 83 HG LEU 83 114.079 9.869 14.483 616 HD11 LEU 83 HD11 LEU 83 112.682 7.811 14.271 617 HD12 LEU 83 HD12 LEU 83 114.262 7.642 13.504 618 HD13 LEU 83 HD13 LEU 83 112.828 7.927 12.517 619 HD21 LEU 83 HD21 LEU 83 114.909 11.014 12.644 620 HD22 LEU 83 HD22 LEU 83 113.648 10.422 11.566 621 HD23 LEU 83 HD23 LEU 83 114.985 9.370 12.018 622 H THR 84 HN THR 84 111.666 13.326 12.015 623 HA THR 84 HA THR 84 108.917 13.792 13.129 624 HB THR 84 HB THR 84 109.008 16.091 12.348 625 HG1 THR 84 HG1 THR 84 111.424 15.191 11.236 626 HG21 THR 84 HG21 THR 84 109.891 15.789 14.570 627 HG22 THR 84 HG22 THR 84 110.941 16.935 13.736 628 HG23 THR 84 HG23 THR 84 111.448 15.257 13.935 629 H ASN 85 HN ASN 85 107.337 14.401 11.393 630 HA ASN 85 HA ASN 85 106.277 13.849 9.368 631 HB2 ASN 85 HB2 ASN 85 109.112 14.327 8.409 632 HB3 ASN 85 HB1 ASN 85 107.741 14.089 7.327 633 HD21 ASN 85 HD21 ASN 85 109.226 16.561 7.402 634 HD22 ASN 85 HD22 ASN 85 108.192 17.773 7.990 635 H ILE 86 HN ILE 86 106.738 11.627 10.853 636 HA ILE 86 HA ILE 86 108.266 9.633 9.367 637 HB ILE 86 HB ILE 86 106.339 9.388 11.694 638 HG12 ILE 86 HG12 ILE 86 109.363 9.186 11.624 639 HG13 ILE 86 HG11 ILE 86 108.502 10.674 12.022 640 HG21 ILE 86 HG21 ILE 86 107.696 7.155 11.908 641 HG22 ILE 86 HG22 ILE 86 107.999 7.384 10.185 642 HG23 ILE 86 HG23 ILE 86 106.345 7.235 10.780 643 HD11 ILE 86 HD11 ILE 86 108.983 9.629 14.114 644 HD12 ILE 86 HD12 ILE 86 108.464 8.050 13.524 645 HD13 ILE 86 HD13 ILE 86 107.273 9.320 13.808 646 H ILE 87 HN ILE 87 107.501 8.300 7.797 647 HA ILE 87 HA ILE 87 104.535 8.225 7.327 648 HB ILE 87 HB ILE 87 106.766 8.096 5.271 649 HG12 ILE 87 HG12 ILE 87 106.515 10.365 6.143 650 HG13 ILE 87 HG11 ILE 87 105.831 10.286 4.519 651 HG21 ILE 87 HG21 ILE 87 104.903 8.211 3.638 652 HG22 ILE 87 HG22 ILE 87 103.751 8.121 4.970 653 HG23 ILE 87 HG23 ILE 87 104.817 6.758 4.633 654 HD11 ILE 87 HD11 ILE 87 104.139 11.402 5.661 655 HD12 ILE 87 HD12 ILE 87 104.421 10.514 7.155 656 HD13 ILE 87 HD13 ILE 87 103.595 9.733 5.812 657 H MET 88 HN MET 88 103.751 6.171 7.650 658 HA MET 88 HA MET 88 105.601 3.877 7.062 659 HB2 MET 88 HB2 MET 88 103.454 3.954 9.200 660 HB3 MET 88 HB1 MET 88 104.608 2.654 8.902 661 HG2 MET 88 HG2 MET 88 106.472 4.159 9.459 662 HG3 MET 88 HG1 MET 88 105.337 5.481 9.722 663 HE1 MET 88 HE1 MET 88 105.326 1.560 10.816 664 HE2 MET 88 HE2 MET 88 106.232 1.842 12.302 665 HE3 MET 88 HE3 MET 88 106.919 2.327 10.754 666 H ASP 89 HN ASP 89 104.848 3.063 5.158 667 HA ASP 89 HA ASP 89 101.883 2.686 4.871 668 HB2 ASP 89 HB2 ASP 89 103.092 4.143 3.163 669 HB3 ASP 89 HB1 ASP 89 103.931 2.684 2.645 670 H HIS 90 HN HIS 90 101.587 0.619 5.695 671 HA HIS 90 HA HIS 90 103.503 -1.510 5.308 672 HB2 HIS 90 HB2 HIS 90 100.633 -1.477 6.254 673 HB3 HIS 90 HB1 HIS 90 101.597 -2.953 6.168 674 HD1 HIS 90 HD1 HIS 90 101.494 0.406 7.913 675 HD2 HIS 90 HD2 HIS 90 103.494 -3.242 8.224 676 HE1 HIS 90 HE1 HIS 90 102.789 0.480 10.092 677 HE2 HIS 90 HE2 HIS 90 104.008 -1.736 10.290 678 H TYR 91 HN TYR 91 100.519 -0.565 3.635 679 HA TYR 91 HA TYR 91 100.239 -2.913 2.047 680 HB2 TYR 91 HB2 TYR 91 98.465 -1.237 2.146 681 HB3 TYR 91 HB1 TYR 91 99.516 -0.044 1.380 682 HD1 TYR 91 HD1 TYR 91 97.910 -3.375 0.855 683 HD2 TYR 91 HD2 TYR 91 99.722 0.065 -0.974 684 HE1 TYR 91 HE1 TYR 91 97.236 -4.208 -1.382 685 HE2 TYR 91 HE2 TYR 91 99.046 -0.769 -3.210 686 HH TYR 91 HH TYR 91 97.112 -2.371 -4.067 687 H ASN 92 HN ASN 92 102.027 0.116 1.398 688 HA ASN 92 HA ASN 92 103.141 -1.058 -1.070 689 HB2 ASN 92 HB2 ASN 92 103.405 1.628 0.285 690 HB3 ASN 92 HB1 ASN 92 104.423 1.177 -1.084 691 HD21 ASN 92 HD21 ASN 92 102.365 3.299 -1.092 692 HD22 ASN 92 HD22 ASN 92 101.210 2.847 -2.250 693 H ASN 93 HN ASN 93 103.808 -1.221 2.193 694 HA ASN 93 HA ASN 93 105.689 -1.907 3.407 695 HB2 ASN 93 HB2 ASN 93 106.265 -3.043 0.664 696 HB3 ASN 93 HB1 ASN 93 107.283 -3.378 2.062 697 HD21 ASN 93 HD21 ASN 93 105.817 -5.470 0.754 698 HD22 ASN 93 HD22 ASN 93 104.618 -6.029 1.820 699 H THR 94 HN THR 94 105.875 0.768 2.711 700 HA THR 94 HA THR 94 108.803 1.029 2.189 701 HB THR 94 HB THR 94 107.734 1.744 0.143 702 HG1 THR 94 HG1 THR 94 108.447 3.894 1.841 703 HG21 THR 94 HG21 THR 94 105.474 2.043 1.103 704 HG22 THR 94 HG22 THR 94 105.958 3.429 0.128 705 HG23 THR 94 HG23 THR 94 106.013 3.525 1.889 706 H PHE 95 HN PHE 95 109.843 2.419 3.580 707 HA PHE 95 HA PHE 95 108.115 3.984 5.479 708 HB2 PHE 95 HB2 PHE 95 110.662 2.453 6.100 709 HB3 PHE 95 HB1 PHE 95 109.775 3.461 7.240 710 HD1 PHE 95 HD1 PHE 95 109.582 0.398 5.155 711 HD2 PHE 95 HD2 PHE 95 107.765 2.692 8.295 712 HE1 PHE 95 HE1 PHE 95 108.083 -1.507 5.677 713 HE2 PHE 95 HE2 PHE 95 106.262 0.789 8.817 714 HZ PHE 95 HZ PHE 95 106.422 -1.310 7.507 715 H TYR 96 HN TYR 96 108.778 6.090 5.869 716 HA TYR 96 HA TYR 96 111.449 6.927 4.815 717 HB2 TYR 96 HB2 TYR 96 108.854 8.461 4.424 718 HB3 TYR 96 HB1 TYR 96 110.450 8.948 3.861 719 HD1 TYR 96 HD2 TYR 96 111.536 7.798 1.985 720 HD2 TYR 96 HD1 TYR 96 107.612 6.685 3.322 721 HE1 TYR 96 HE2 TYR 96 111.177 6.535 -0.121 722 HE2 TYR 96 HE1 TYR 96 107.251 5.424 1.220 723 HH TYR 96 HH TYR 96 108.488 5.755 -1.355 724 H SER 97 HN SER 97 112.414 8.617 6.028 725 HA SER 97 HA SER 97 110.859 9.946 8.146 726 HB2 SER 97 HB2 SER 97 112.519 9.260 9.909 727 HB3 SER 97 HB1 SER 97 111.512 7.937 9.330 728 HG SER 97 HG SER 97 113.196 7.077 8.334 729 H ARG 98 HN ARG 98 112.052 11.783 9.049 730 HA ARG 98 HA ARG 98 114.218 12.690 7.198 731 HB2 ARG 98 HB2 ARG 98 112.432 14.289 9.061 732 HB3 ARG 98 HB1 ARG 98 113.649 14.968 7.982 733 HG2 ARG 98 HG2 ARG 98 112.449 13.981 6.044 734 HG3 ARG 98 HG1 ARG 98 111.204 13.384 7.138 735 HD2 ARG 98 HD2 ARG 98 110.819 15.742 7.886 736 HD3 ARG 98 HD1 ARG 98 111.950 16.288 6.655 737 HE ARG 98 HE ARG 98 109.174 15.578 6.276 738 HH11 ARG 98 HH21 ARG 98 112.280 15.225 4.820 739 HH12 ARG 98 HH22 ARG 98 111.642 14.827 3.261 740 HH21 ARG 98 HH11 ARG 98 108.332 15.056 4.261 741 HH22 ARG 98 HH12 ARG 98 109.409 14.729 2.945 742 H LEU 99 HN LEU 99 116.225 13.165 7.997 743 HA LEU 99 HA LEU 99 116.761 12.454 10.808 744 HB2 LEU 99 HB2 LEU 99 118.580 13.089 8.485 745 HB3 LEU 99 HB1 LEU 99 119.163 12.714 10.103 746 HG LEU 99 HG LEU 99 117.459 10.891 8.387 747 HD11 LEU 99 HD11 LEU 99 119.777 9.556 8.801 748 HD12 LEU 99 HD12 LEU 99 120.395 11.204 8.820 749 HD13 LEU 99 HD13 LEU 99 119.519 10.607 7.410 750 HD21 LEU 99 HD21 LEU 99 118.459 10.788 11.216 751 HD22 LEU 99 HD22 LEU 99 118.369 9.282 10.301 752 HD23 LEU 99 HD23 LEU 99 116.916 10.240 10.559 753 HA PRO 100 HA PRO 100 116.775 16.671 12.308 754 HB2 PRO 100 HB2 PRO 100 119.292 15.810 13.683 755 HB3 PRO 100 HB1 PRO 100 117.871 16.639 14.349 756 HG2 PRO 100 HG2 PRO 100 118.314 14.037 14.752 757 HG3 PRO 100 HG1 PRO 100 116.682 14.700 14.585 758 HD2 PRO 100 HD2 PRO 100 118.215 13.019 12.684 759 HD3 PRO 100 HD1 PRO 100 116.460 13.245 12.847 760 H SER 101 HN SER 101 118.517 18.524 12.469 761 HA SER 101 HA SER 101 119.952 18.541 9.911 762 HB2 SER 101 HB2 SER 101 119.680 20.637 12.076 763 HB3 SER 101 HB1 SER 101 120.491 20.894 10.533 764 HG SER 101 HG SER 101 118.183 19.833 9.947 765 H LEU 102 HN LEU 102 120.678 17.719 13.132 766 HA LEU 102 HA LEU 102 123.602 17.808 12.493 767 HB2 LEU 102 HB2 LEU 102 123.092 19.670 14.002 768 HB3 LEU 102 HB1 LEU 102 122.302 18.564 15.124 769 HG LEU 102 HG LEU 102 124.415 17.376 15.482 770 HD11 LEU 102 HD11 LEU 102 125.309 19.196 13.270 771 HD12 LEU 102 HD12 LEU 102 125.643 17.480 13.508 772 HD13 LEU 102 HD13 LEU 102 126.484 18.686 14.483 773 HD21 LEU 102 HD21 LEU 102 124.758 20.385 15.701 774 HD22 LEU 102 HD22 LEU 102 125.633 19.173 16.638 775 HD23 LEU 102 HD23 LEU 102 123.896 19.377 16.863 776 H ILE 103 HN ILE 103 124.601 15.882 12.833 777 HA ILE 103 HA ILE 103 123.562 14.015 14.875 778 HB ILE 103 HB ILE 103 123.799 13.314 11.934 779 HG12 ILE 103 HG12 ILE 103 121.478 13.002 13.861 780 HG13 ILE 103 HG11 ILE 103 121.652 14.361 12.756 781 HG21 ILE 103 HG21 ILE 103 123.735 11.622 14.416 782 HG22 ILE 103 HG22 ILE 103 124.701 11.417 12.955 783 HG23 ILE 103 HG23 ILE 103 122.981 11.022 12.940 784 HD11 ILE 103 HD11 ILE 103 120.255 12.244 12.040 785 HD12 ILE 103 HD12 ILE 103 121.841 11.592 11.645 786 HD13 ILE 103 HD13 ILE 103 121.281 13.074 10.871 787 H SER 104 HN SER 104 125.481 14.005 16.034 788 HA SER 104 HA SER 104 128.013 13.561 14.515 789 HB2 SER 104 HB2 SER 104 127.569 14.437 17.383 790 HB3 SER 104 HB1 SER 104 129.138 14.264 16.601 791 HG SER 104 HG SER 104 127.095 16.143 16.168 792 H ASP 105 HN ASP 105 125.698 11.855 16.252 793 HA ASP 105 HA ASP 105 127.498 9.999 17.604 794 HB2 ASP 105 HB2 ASP 105 124.533 10.082 17.092 795 HB3 ASP 105 HB1 ASP 105 125.295 8.635 17.762 796 H ASN 106 HN ASN 106 127.854 7.803 16.993 797 HA ASN 106 HA ASN 106 127.707 7.358 14.050 798 HB2 ASN 106 HB2 ASN 106 129.359 6.075 16.239 799 HB3 ASN 106 HB1 ASN 106 129.320 5.467 14.585 800 HD21 ASN 106 HD21 ASN 106 131.735 6.486 15.748 801 HD22 ASN 106 HD22 ASN 106 132.158 7.913 14.935 802 H TRP 107 HN TRP 107 125.386 7.022 15.847 803 HA TRP 107 HA TRP 107 124.971 4.266 16.464 804 HB2 TRP 107 HB2 TRP 107 122.588 4.858 16.636 805 HB3 TRP 107 HB1 TRP 107 123.590 6.071 17.429 806 HD1 TRP 107 HD1 TRP 107 124.179 8.281 15.815 807 HE1 TRP 107 HE1 TRP 107 122.629 9.538 14.216 808 HE3 TRP 107 HE3 TRP 107 120.606 4.711 15.117 809 HZ2 TRP 107 HZ2 TRP 107 120.173 9.089 12.808 810 HZ3 TRP 107 HZ3 TRP 107 118.671 5.156 13.639 811 HH2 TRP 107 HH2 TRP 107 118.444 7.337 12.488 812 H LYS 108 HN LYS 108 123.472 2.795 15.385 813 HA LYS 108 HA LYS 108 123.082 3.254 12.476 814 HB2 LYS 108 HB2 LYS 108 124.055 1.104 11.909 815 HB3 LYS 108 HB1 LYS 108 125.252 2.024 12.820 816 HG2 LYS 108 HG2 LYS 108 124.533 0.840 14.894 817 HG3 LYS 108 HG1 LYS 108 123.438 -0.143 13.923 818 HD2 LYS 108 HD2 LYS 108 126.400 0.027 13.349 819 HD3 LYS 108 HD1 LYS 108 125.708 -1.191 14.421 820 HE2 LYS 108 HE2 LYS 108 124.129 -1.777 12.487 821 HE3 LYS 108 HE1 LYS 108 125.189 -0.801 11.469 822 HZ1 LYS 108 HZ1 LYS 108 125.817 -3.285 12.929 823 HZ2 LYS 108 HZ2 LYS 108 127.048 -2.217 12.448 824 HZ3 LYS 108 HZ3 LYS 108 126.039 -2.934 11.284 825 H PHE 109 HN PHE 109 121.431 1.773 11.572 826 HA PHE 109 HA PHE 109 119.971 0.076 13.488 827 HB2 PHE 109 HB2 PHE 109 117.882 1.248 13.378 828 HB3 PHE 109 HB1 PHE 109 119.094 2.444 13.811 829 HD1 PHE 109 HD2 PHE 109 119.942 4.050 12.108 830 HD2 PHE 109 HD1 PHE 109 116.732 1.323 11.267 831 HE1 PHE 109 HE2 PHE 109 119.316 5.397 10.122 832 HE2 PHE 109 HE1 PHE 109 116.106 2.670 9.282 833 HZ PHE 109 HZ PHE 109 117.400 4.707 8.710 834 H PHE 110 HN PHE 110 118.310 -1.245 12.316 835 HA PHE 110 HA PHE 110 118.425 -1.058 9.372 836 HB2 PHE 110 HB2 PHE 110 119.088 -3.505 9.241 837 HB3 PHE 110 HB1 PHE 110 120.362 -2.410 9.776 838 HD1 PHE 110 HD2 PHE 110 120.839 -2.194 12.248 839 HD2 PHE 110 HD1 PHE 110 118.263 -5.238 10.649 840 HE1 PHE 110 HE2 PHE 110 121.064 -3.489 14.349 841 HE2 PHE 110 HE1 PHE 110 118.495 -6.531 12.754 842 HZ PHE 110 HZ PHE 110 119.891 -5.659 14.602 843 H CYS 111 HN CYS 111 116.893 -2.395 8.297 844 HA CYS 111 HA CYS 111 114.691 -3.458 10.037 845 HB2 CYS 111 HB2 CYS 111 114.472 -1.993 7.386 846 HB3 CYS 111 HB1 CYS 111 113.124 -2.786 8.197 847 H VAL 112 HN VAL 112 113.570 -5.349 9.063 848 HA VAL 112 HA VAL 112 115.245 -6.685 6.953 849 HB VAL 112 HB VAL 112 114.112 -7.838 9.501 850 HG11 VAL 112 HG11 VAL 112 115.181 -9.985 8.552 851 HG12 VAL 112 HG12 VAL 112 115.114 -9.177 6.986 852 HG13 VAL 112 HG13 VAL 112 113.626 -9.497 7.877 853 HG21 VAL 112 HG21 VAL 112 116.887 -7.570 8.314 854 HG22 VAL 112 HG22 VAL 112 116.526 -8.552 9.733 855 HG23 VAL 112 HG23 VAL 112 116.280 -6.806 9.781 856 H CYS 113 HN CYS 113 114.213 -7.727 5.363 857 HA CYS 113 HA CYS 113 111.238 -8.009 5.494 858 HB2 CYS 113 HB2 CYS 113 112.998 -7.171 3.167 859 HB3 CYS 113 HB1 CYS 113 111.333 -7.709 2.962 860 H SER 114 HN SER 114 110.594 -10.175 5.067 861 HA SER 114 HA SER 114 112.274 -11.895 3.411 862 HB2 SER 114 HB2 SER 114 112.929 -13.455 5.170 863 HB3 SER 114 HB1 SER 114 113.553 -11.848 5.528 864 HG SER 114 HG SER 114 112.228 -11.698 7.180 865 H LYS 115 HN LYS 115 111.506 -14.217 3.544 866 HA LYS 115 HA LYS 115 108.648 -14.484 4.337 867 HB2 LYS 115 HB2 LYS 115 109.835 -15.228 1.640 868 HB3 LYS 115 HB1 LYS 115 108.253 -15.763 2.198 869 HG2 LYS 115 HG2 LYS 115 107.495 -13.447 2.362 870 HG3 LYS 115 HG1 LYS 115 109.089 -12.869 1.900 871 HD2 LYS 115 HD2 LYS 115 107.969 -12.825 -0.161 872 HD3 LYS 115 HD1 LYS 115 108.737 -14.404 -0.199 873 HE2 LYS 115 HE2 LYS 115 106.717 -15.513 0.418 874 HE3 LYS 115 HE1 LYS 115 105.926 -13.998 0.838 875 HZ1 LYS 115 HZ1 LYS 115 106.013 -13.327 -1.462 876 HZ2 LYS 115 HZ2 LYS 115 105.228 -14.829 -1.331 877 HZ3 LYS 115 HZ3 LYS 115 106.833 -14.750 -1.885 878 H ASP 116 HN ASP 116 108.077 -16.817 4.595 879 HA ASP 116 HA ASP 116 110.129 -18.321 5.910 880 HB2 ASP 116 HB2 ASP 116 107.419 -19.044 4.791 881 HB3 ASP 116 HB1 ASP 116 108.465 -20.267 5.524 882 H ASN 117 HN ASN 117 111.477 -20.007 5.139 883 HA ASN 117 HA ASN 117 112.820 -21.048 3.516 884 HB2 ASN 117 HB2 ASN 117 110.663 -22.342 3.342 885 HB3 ASN 117 HB1 ASN 117 110.194 -21.272 2.018 886 HD21 ASN 117 HD21 ASN 117 110.614 -24.120 1.667 887 HD22 ASN 117 HD22 ASN 117 111.947 -24.318 0.636 888 H GLU 118 HN GLU 118 113.459 -18.549 3.202 889 HA GLU 118 HA GLU 118 113.687 -18.119 0.353 890 HB2 GLU 118 HB2 GLU 118 111.844 -16.370 2.008 891 HB3 GLU 118 HB1 GLU 118 112.569 -15.783 0.513 892 HG2 GLU 118 HG2 GLU 118 110.647 -18.099 0.846 893 HG3 GLU 118 HG1 GLU 118 110.396 -16.636 -0.050 894 H LYS 119 HN LYS 119 115.270 -16.533 -0.157 895 HA LYS 119 HA LYS 119 117.312 -16.088 1.744 896 HB2 LYS 119 HB2 LYS 119 116.568 -14.626 -0.802 897 HB3 LYS 119 HB1 LYS 119 117.995 -14.197 0.142 898 HG2 LYS 119 HG2 LYS 119 118.908 -16.432 -0.118 899 HG3 LYS 119 HG1 LYS 119 117.435 -16.983 -0.918 900 HD2 LYS 119 HD2 LYS 119 119.132 -16.503 -2.605 901 HD3 LYS 119 HD1 LYS 119 117.842 -15.307 -2.728 902 HE2 LYS 119 HE2 LYS 119 120.032 -14.574 -0.872 903 HE3 LYS 119 HE1 LYS 119 120.500 -14.678 -2.566 904 HZ1 LYS 119 HZ1 LYS 119 119.333 -12.545 -1.437 905 HZ2 LYS 119 HZ2 LYS 119 117.984 -13.342 -2.096 906 HZ3 LYS 119 HZ3 LYS 119 119.284 -12.895 -3.095 907 H LYS 120 HN LYS 120 117.642 -14.489 3.290 908 HA LYS 120 HA LYS 120 115.335 -12.740 3.865 909 HB2 LYS 120 HB2 LYS 120 116.474 -12.266 5.974 910 HB3 LYS 120 HB1 LYS 120 116.444 -14.005 5.689 911 HG2 LYS 120 HG2 LYS 120 118.740 -13.933 4.852 912 HG3 LYS 120 HG1 LYS 120 118.789 -12.187 5.055 913 HD2 LYS 120 HD2 LYS 120 119.847 -13.026 6.998 914 HD3 LYS 120 HD1 LYS 120 118.212 -12.624 7.521 915 HE2 LYS 120 HE2 LYS 120 117.524 -14.908 7.470 916 HE3 LYS 120 HE1 LYS 120 118.964 -15.397 6.577 917 HZ1 LYS 120 HZ1 LYS 120 120.193 -15.460 8.428 918 HZ2 LYS 120 HZ2 LYS 120 118.700 -15.570 9.234 919 HZ3 LYS 120 HZ3 LYS 120 119.483 -14.068 9.090 920 H LEU 121 HN LEU 121 115.352 -10.507 3.733 921 HA LEU 121 HA LEU 121 117.742 -9.287 2.411 922 HB2 LEU 121 HB2 LEU 121 114.871 -8.293 2.469 923 HB3 LEU 121 HB1 LEU 121 116.197 -7.608 1.531 924 HG LEU 121 HG LEU 121 115.152 -10.438 1.215 925 HD11 LEU 121 HD11 LEU 121 114.294 -9.540 -0.980 926 HD12 LEU 121 HD12 LEU 121 114.680 -7.918 -0.405 927 HD13 LEU 121 HD13 LEU 121 113.467 -8.885 0.434 928 HD21 LEU 121 HD21 LEU 121 117.294 -8.794 -0.125 929 HD22 LEU 121 HD22 LEU 121 116.495 -10.102 -0.996 930 HD23 LEU 121 HD23 LEU 121 117.392 -10.447 0.482 931 H VAL 122 HN VAL 122 118.932 -7.957 3.742 932 HA VAL 122 HA VAL 122 117.553 -6.795 6.128 933 HB VAL 122 HB VAL 122 120.443 -7.527 5.626 934 HG11 VAL 122 HG11 VAL 122 119.173 -5.745 7.691 935 HG12 VAL 122 HG12 VAL 122 120.689 -5.524 6.817 936 HG13 VAL 122 HG13 VAL 122 120.586 -6.709 8.119 937 HG21 VAL 122 HG21 VAL 122 118.359 -9.044 6.593 938 HG22 VAL 122 HG22 VAL 122 119.011 -8.367 8.084 939 HG23 VAL 122 HG23 VAL 122 120.051 -9.301 7.011 940 H PHE 123 HN PHE 123 117.401 -4.635 6.291 941 HA PHE 123 HA PHE 123 118.855 -2.945 4.294 942 HB2 PHE 123 HB2 PHE 123 116.474 -2.670 4.072 943 HB3 PHE 123 HB1 PHE 123 116.260 -2.568 5.818 944 HD1 PHE 123 HD1 PHE 123 118.138 -0.860 3.060 945 HD2 PHE 123 HD2 PHE 123 116.056 -0.462 6.789 946 HE1 PHE 123 HE1 PHE 123 118.403 1.594 2.944 947 HE2 PHE 123 HE2 PHE 123 116.317 2.001 6.676 948 HZ PHE 123 HZ PHE 123 117.491 3.034 4.750 949 H THR 124 HN THR 124 120.608 -1.879 5.208 950 HA THR 124 HA THR 124 120.307 -0.959 8.040 951 HB THR 124 HB THR 124 121.615 -3.132 7.847 952 HG1 THR 124 HG1 THR 124 122.759 -0.761 8.884 953 HG21 THR 124 HG21 THR 124 122.782 -2.293 5.713 954 HG22 THR 124 HG22 THR 124 123.791 -3.102 6.908 955 HG23 THR 124 HG23 THR 124 123.803 -1.344 6.791 956 H VAL 125 HN VAL 125 121.228 0.962 8.549 957 HA VAL 125 HA VAL 125 122.986 2.293 6.553 958 HB VAL 125 HB VAL 125 121.708 4.295 6.522 959 HG11 VAL 125 HG11 VAL 125 119.414 2.372 6.621 960 HG12 VAL 125 HG12 VAL 125 120.692 2.078 5.444 961 HG13 VAL 125 HG13 VAL 125 119.799 3.598 5.415 962 HG21 VAL 125 HG21 VAL 125 119.635 4.490 7.996 963 HG22 VAL 125 HG22 VAL 125 121.181 4.566 8.844 964 HG23 VAL 125 HG23 VAL 125 120.232 3.079 8.871 965 H GLU 126 HN GLU 126 124.213 4.116 7.599 966 HA GLU 126 HA GLU 126 124.332 3.806 10.585 967 HB2 GLU 126 HB2 GLU 126 126.637 3.999 8.626 968 HB3 GLU 126 HB1 GLU 126 126.807 4.102 10.379 969 HG2 GLU 126 HG2 GLU 126 125.855 1.859 10.632 970 HG3 GLU 126 HG1 GLU 126 125.601 1.753 8.891 971 H ALA 127 HN ALA 127 124.864 5.693 11.748 972 HA ALA 127 HA ALA 127 125.335 8.194 10.241 973 HB1 ALA 127 HB1 ALA 127 122.935 7.773 12.050 974 HB2 ALA 127 HB2 ALA 127 122.895 8.079 10.313 975 HB3 ALA 127 HB3 ALA 127 123.452 9.336 11.417 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 116.339 15.615 -6.722 2 H2 GLU 1 HT2 GLU 1 115.024 15.761 -5.657 3 H3 GLU 1 HT3 GLU 1 115.263 14.319 -6.524 4 HA GLU 1 HA GLU 1 117.617 14.607 -5.222 5 HB2 GLU 1 HB2 GLU 1 115.317 15.532 -3.477 6 HB3 GLU 1 HB1 GLU 1 116.867 14.980 -2.841 7 HG2 GLU 1 HG2 GLU 1 118.039 16.748 -4.048 8 HG3 GLU 1 HG1 GLU 1 116.532 17.266 -4.806 9 H LYS 2 HN LYS 2 117.930 12.430 -5.221 10 HA LYS 2 HA LYS 2 115.703 10.576 -4.906 11 HB2 LYS 2 HB2 LYS 2 118.695 10.077 -5.002 12 HB3 LYS 2 HB1 LYS 2 117.449 8.833 -5.107 13 HG2 LYS 2 HG2 LYS 2 117.651 11.161 -7.032 14 HG3 LYS 2 HG1 LYS 2 118.358 9.576 -7.346 15 HD2 LYS 2 HD2 LYS 2 115.979 8.656 -6.853 16 HD3 LYS 2 HD1 LYS 2 115.444 10.320 -7.095 17 HE2 LYS 2 HE2 LYS 2 116.430 10.358 -9.326 18 HE3 LYS 2 HE1 LYS 2 117.066 8.730 -9.096 19 HZ1 LYS 2 HZ1 LYS 2 114.585 8.195 -8.594 20 HZ2 LYS 2 HZ2 LYS 2 115.129 8.300 -10.200 21 HZ3 LYS 2 HZ3 LYS 2 114.293 9.600 -9.497 22 H VAL 3 HN VAL 3 115.468 9.058 -3.161 23 HA VAL 3 HA VAL 3 116.391 10.170 -0.571 24 HB VAL 3 HB VAL 3 114.337 8.057 -1.279 25 HG11 VAL 3 HG11 VAL 3 113.736 8.237 1.163 26 HG12 VAL 3 HG12 VAL 3 115.228 9.145 1.405 27 HG13 VAL 3 HG13 VAL 3 115.295 7.470 0.861 28 HG21 VAL 3 HG21 VAL 3 114.010 10.655 -1.628 29 HG22 VAL 3 HG22 VAL 3 113.796 10.657 0.123 30 HG23 VAL 3 HG23 VAL 3 112.724 9.695 -0.895 31 H LYS 4 HN LYS 4 117.854 9.103 0.732 32 HA LYS 4 HA LYS 4 119.392 6.928 -0.378 33 HB2 LYS 4 HB2 LYS 4 119.251 7.970 2.474 34 HB3 LYS 4 HB1 LYS 4 120.465 6.842 1.871 35 HG2 LYS 4 HG2 LYS 4 120.032 9.500 0.523 36 HG3 LYS 4 HG1 LYS 4 121.077 9.364 1.936 37 HD2 LYS 4 HD2 LYS 4 122.360 7.571 0.757 38 HD3 LYS 4 HD1 LYS 4 121.379 7.855 -0.677 39 HE2 LYS 4 HE2 LYS 4 123.432 9.116 -0.907 40 HE3 LYS 4 HE1 LYS 4 122.107 10.250 -0.643 41 HZ1 LYS 4 HZ1 LYS 4 123.277 11.028 1.054 42 HZ2 LYS 4 HZ2 LYS 4 124.408 9.764 0.959 43 HZ3 LYS 4 HZ3 LYS 4 122.985 9.568 1.865 44 H GLY 5 HN GLY 5 118.772 4.830 -0.442 45 HA2 GLY 5 HA2 GLY 5 117.744 3.402 1.791 46 HA3 GLY 5 HA1 GLY 5 116.387 3.872 0.772 47 H CYS 6 HN CYS 6 116.692 1.240 0.961 48 HA CYS 6 HA CYS 6 118.146 0.431 -1.531 49 HB2 CYS 6 HB2 CYS 6 118.803 -0.531 0.802 50 HB3 CYS 6 HB1 CYS 6 117.342 -1.497 0.633 51 H ASP 7 HN ASP 7 116.906 -0.337 -3.149 52 HA ASP 7 HA ASP 7 114.021 -0.867 -2.566 53 HB2 ASP 7 HB2 ASP 7 114.721 0.884 -4.298 54 HB3 ASP 7 HB1 ASP 7 115.275 -0.466 -5.290 55 H PHE 8 HN PHE 8 113.748 -3.030 -2.189 56 HA PHE 8 HA PHE 8 115.403 -5.002 -3.641 57 HB2 PHE 8 HB2 PHE 8 113.248 -5.329 -1.532 58 HB3 PHE 8 HB1 PHE 8 114.177 -6.657 -2.223 59 HD1 PHE 8 HD2 PHE 8 116.790 -6.408 -2.116 60 HD2 PHE 8 HD1 PHE 8 114.044 -4.227 0.367 61 HE1 PHE 8 HE2 PHE 8 118.606 -5.981 -0.481 62 HE2 PHE 8 HE1 PHE 8 115.860 -3.801 2.001 63 HZ PHE 8 HZ PHE 8 118.141 -4.678 1.578 64 H THR 9 HN THR 9 112.706 -3.266 -4.330 65 HA THR 9 HA THR 9 111.298 -5.496 -5.711 66 HB THR 9 HB THR 9 110.414 -2.619 -5.376 67 HG1 THR 9 HG1 THR 9 109.030 -3.747 -3.754 68 HG21 THR 9 HG21 THR 9 109.264 -3.780 -7.171 69 HG22 THR 9 HG22 THR 9 108.170 -3.644 -5.795 70 HG23 THR 9 HG23 THR 9 108.976 -5.175 -6.132 71 H THR 10 HN THR 10 113.409 -2.829 -6.367 72 HA THR 10 HA THR 10 113.274 -3.464 -9.234 73 HB THR 10 HB THR 10 112.767 -0.609 -8.386 74 HG1 THR 10 HG1 THR 10 110.973 -2.706 -8.985 75 HG21 THR 10 HG21 THR 10 112.075 -1.911 -11.007 76 HG22 THR 10 HG22 THR 10 113.715 -1.340 -10.700 77 HG23 THR 10 HG23 THR 10 112.365 -0.206 -10.659 78 H SER 11 HN SER 11 115.340 -3.388 -10.001 79 HA SER 11 HA SER 11 117.521 -2.469 -8.388 80 HB2 SER 11 HB2 SER 11 118.878 -2.806 -10.437 81 HB3 SER 11 HB1 SER 11 117.804 -4.171 -10.150 82 HG SER 11 HG SER 11 116.353 -3.214 -11.649 83 H GLU 12 HN GLU 12 115.473 -0.921 -10.747 84 HA GLU 12 HA GLU 12 117.109 1.579 -10.504 85 HB2 GLU 12 HB2 GLU 12 115.234 0.650 -12.700 86 HB3 GLU 12 HB1 GLU 12 115.953 2.259 -12.630 87 HG2 GLU 12 HG2 GLU 12 118.201 1.290 -12.713 88 HG3 GLU 12 HG1 GLU 12 117.519 -0.337 -12.699 89 H SER 13 HN SER 13 115.898 1.846 -8.412 90 HA SER 13 HA SER 13 113.028 2.203 -8.453 91 HB2 SER 13 HB2 SER 13 113.310 3.078 -6.198 92 HB3 SER 13 HB1 SER 13 114.340 1.664 -6.402 93 HG SER 13 HG SER 13 115.996 3.287 -7.027 94 H THR 14 HN THR 14 111.874 4.194 -8.255 95 HA THR 14 HA THR 14 113.249 6.478 -9.593 96 HB THR 14 HB THR 14 111.298 5.955 -10.815 97 HG1 THR 14 HG1 THR 14 111.439 8.175 -9.701 98 HG21 THR 14 HG21 THR 14 110.335 4.319 -9.316 99 HG22 THR 14 HG22 THR 14 109.104 5.535 -9.657 100 HG23 THR 14 HG23 THR 14 109.969 5.565 -8.121 101 H ILE 15 HN ILE 15 112.625 5.409 -6.572 102 HA ILE 15 HA ILE 15 112.251 8.183 -5.508 103 HB ILE 15 HB ILE 15 111.257 6.913 -3.479 104 HG12 ILE 15 HG12 ILE 15 110.763 4.853 -5.650 105 HG13 ILE 15 HG11 ILE 15 111.994 4.669 -4.401 106 HG21 ILE 15 HG21 ILE 15 109.922 8.350 -4.943 107 HG22 ILE 15 HG22 ILE 15 109.014 6.886 -4.564 108 HG23 ILE 15 HG23 ILE 15 109.798 7.056 -6.134 109 HD11 ILE 15 HD11 ILE 15 108.998 4.735 -4.099 110 HD12 ILE 15 HD12 ILE 15 110.045 5.138 -2.740 111 HD13 ILE 15 HD13 ILE 15 110.144 3.544 -3.482 112 H PHE 16 HN PHE 16 114.053 5.190 -5.372 113 HA PHE 16 HA PHE 16 115.689 6.343 -3.137 114 HB2 PHE 16 HB2 PHE 16 115.186 3.470 -3.948 115 HB3 PHE 16 HB1 PHE 16 116.463 3.943 -2.826 116 HD1 PHE 16 HD2 PHE 16 115.746 5.444 -0.808 117 HD2 PHE 16 HD1 PHE 16 113.018 3.089 -3.143 118 HE1 PHE 16 HE2 PHE 16 114.094 5.532 1.036 119 HE2 PHE 16 HE1 PHE 16 111.365 3.186 -1.301 120 HZ PHE 16 HZ PHE 16 111.901 4.400 0.792 121 H SER 17 HN SER 17 117.875 6.564 -3.443 122 HA SER 17 HA SER 17 118.883 6.691 -6.137 123 HB2 SER 17 HB2 SER 17 121.049 7.202 -5.050 124 HB3 SER 17 HB1 SER 17 119.736 8.151 -4.361 125 HG SER 17 HG SER 17 119.924 7.090 -2.536 126 H LYS 18 HN LYS 18 118.720 4.080 -3.857 127 HA LYS 18 HA LYS 18 120.533 2.501 -5.653 128 HB2 LYS 18 HB2 LYS 18 121.536 3.108 -3.395 129 HB3 LYS 18 HB1 LYS 18 120.315 2.061 -2.675 130 HG2 LYS 18 HG2 LYS 18 121.114 0.168 -4.023 131 HG3 LYS 18 HG1 LYS 18 122.317 1.206 -4.786 132 HD2 LYS 18 HD2 LYS 18 122.208 0.915 -1.789 133 HD3 LYS 18 HD1 LYS 18 123.077 -0.257 -2.780 134 HE2 LYS 18 HE2 LYS 18 124.321 1.692 -3.817 135 HE3 LYS 18 HE1 LYS 18 123.589 2.723 -2.589 136 HZ1 LYS 18 HZ1 LYS 18 125.217 0.314 -2.013 137 HZ2 LYS 18 HZ2 LYS 18 124.587 1.406 -0.875 138 HZ3 LYS 18 HZ3 LYS 18 125.796 1.906 -1.958 139 H GLY 19 HN GLY 19 119.808 0.482 -6.218 140 HA2 GLY 19 HA2 GLY 19 117.520 -0.711 -4.776 141 HA3 GLY 19 HA1 GLY 19 117.235 -0.286 -6.463 142 H TYR 20 HN TYR 20 117.093 -2.952 -5.586 143 HA TYR 20 HA TYR 20 119.487 -4.135 -6.947 144 HB2 TYR 20 HB2 TYR 20 118.005 -5.082 -4.490 145 HB3 TYR 20 HB1 TYR 20 119.011 -6.164 -5.452 146 HD1 TYR 20 HD1 TYR 20 119.099 -2.861 -3.690 147 HD2 TYR 20 HD2 TYR 20 121.323 -6.265 -5.078 148 HE1 TYR 20 HE1 TYR 20 121.120 -2.015 -2.528 149 HE2 TYR 20 HE2 TYR 20 123.344 -5.419 -3.915 150 HH TYR 20 HH TYR 20 123.237 -2.964 -1.600 151 H SER 21 HN SER 21 119.012 -6.184 -8.052 152 HA SER 21 HA SER 21 116.309 -6.133 -9.252 153 HB2 SER 21 HB2 SER 21 118.226 -6.340 -10.765 154 HB3 SER 21 HB1 SER 21 118.769 -7.775 -9.907 155 HG SER 21 HG SER 21 116.225 -7.525 -11.133 156 H ILE 22 HN ILE 22 114.907 -7.986 -9.209 157 HA ILE 22 HA ILE 22 114.899 -9.432 -6.743 158 HB ILE 22 HB ILE 22 113.068 -10.755 -7.756 159 HG12 ILE 22 HG12 ILE 22 113.667 -9.160 -10.267 160 HG13 ILE 22 HG11 ILE 22 114.115 -10.852 -10.047 161 HG21 ILE 22 HG21 ILE 22 112.508 -8.594 -6.811 162 HG22 ILE 22 HG22 ILE 22 111.594 -8.795 -8.306 163 HG23 ILE 22 HG23 ILE 22 113.028 -7.769 -8.280 164 HD11 ILE 22 HD11 ILE 22 111.972 -10.660 -11.256 165 HD12 ILE 22 HD12 ILE 22 111.293 -9.750 -9.907 166 HD13 ILE 22 HD13 ILE 22 111.746 -11.440 -9.690 167 H ASN 23 HN ASN 23 116.233 -10.150 -9.908 168 HA ASN 23 HA ASN 23 116.663 -12.967 -9.429 169 HB2 ASN 23 HB2 ASN 23 116.660 -12.040 -11.707 170 HB3 ASN 23 HB1 ASN 23 118.077 -11.066 -11.322 171 HD21 ASN 23 HD21 ASN 23 119.827 -12.032 -12.375 172 HD22 ASN 23 HD22 ASN 23 120.170 -13.693 -12.358 173 H GLU 24 HN GLU 24 118.665 -10.065 -9.008 174 HA GLU 24 HA GLU 24 121.073 -11.406 -8.284 175 HB2 GLU 24 HB2 GLU 24 119.997 -8.677 -7.540 176 HB3 GLU 24 HB1 GLU 24 121.617 -9.224 -7.110 177 HG2 GLU 24 HG2 GLU 24 122.195 -9.528 -9.449 178 HG3 GLU 24 HG1 GLU 24 120.546 -9.159 -9.945 179 H ILE 25 HN ILE 25 118.401 -10.193 -6.227 180 HA ILE 25 HA ILE 25 119.653 -11.094 -3.782 181 HB ILE 25 HB ILE 25 117.478 -10.668 -2.741 182 HG12 ILE 25 HG12 ILE 25 116.534 -10.423 -5.603 183 HG13 ILE 25 HG11 ILE 25 116.002 -11.619 -4.425 184 HG21 ILE 25 HG21 ILE 25 119.015 -8.776 -3.443 185 HG22 ILE 25 HG22 ILE 25 117.322 -8.324 -3.251 186 HG23 ILE 25 HG23 ILE 25 117.991 -8.572 -4.864 187 HD11 ILE 25 HD11 ILE 25 115.351 -9.534 -2.986 188 HD12 ILE 25 HD12 ILE 25 114.286 -10.036 -4.300 189 HD13 ILE 25 HD13 ILE 25 115.390 -8.681 -4.528 190 H SER 26 HN SER 26 117.197 -12.508 -5.941 191 HA SER 26 HA SER 26 116.749 -14.854 -4.335 192 HB2 SER 26 HB2 SER 26 115.371 -13.926 -6.344 193 HB3 SER 26 HB1 SER 26 116.513 -14.825 -7.340 194 HG SER 26 HG SER 26 114.851 -15.829 -5.265 195 H ASN 27 HN ASN 27 118.698 -14.405 -7.305 196 HA ASN 27 HA ASN 27 119.883 -16.911 -7.498 197 HB2 ASN 27 HB2 ASN 27 120.305 -14.944 -9.024 198 HB3 ASN 27 HB1 ASN 27 121.411 -14.308 -7.805 199 HD21 ASN 27 HD21 ASN 27 123.294 -14.597 -9.208 200 HD22 ASN 27 HD22 ASN 27 123.905 -16.142 -9.554 201 H LYS 28 HN LYS 28 120.125 -17.778 -5.366 202 HA LYS 28 HA LYS 28 121.117 -17.196 -3.041 203 HB2 LYS 28 HB2 LYS 28 121.276 -19.513 -4.022 204 HB3 LYS 28 HB1 LYS 28 122.827 -19.053 -4.725 205 HG2 LYS 28 HG2 LYS 28 123.501 -20.032 -2.718 206 HG3 LYS 28 HG1 LYS 28 123.406 -18.331 -2.264 207 HD2 LYS 28 HD2 LYS 28 121.183 -18.653 -1.324 208 HD3 LYS 28 HD1 LYS 28 121.157 -20.325 -1.881 209 HE2 LYS 28 HE2 LYS 28 123.091 -20.835 -0.433 210 HE3 LYS 28 HE1 LYS 28 123.112 -19.164 0.127 211 HZ1 LYS 28 HZ1 LYS 28 121.802 -20.002 1.733 212 HZ2 LYS 28 HZ2 LYS 28 121.287 -21.322 0.795 213 HZ3 LYS 28 HZ3 LYS 28 120.575 -19.795 0.580 214 H SER 29 HN SER 29 122.354 -15.529 -2.328 215 HA SER 29 HA SER 29 124.097 -13.955 -3.811 216 HB2 SER 29 HB2 SER 29 124.280 -14.680 -0.871 217 HB3 SER 29 HB1 SER 29 125.179 -13.366 -1.623 218 HG SER 29 HG SER 29 123.132 -12.498 -2.265 219 H SER 30 HN SER 30 125.975 -14.398 -4.821 220 HA SER 30 HA SER 30 127.488 -16.839 -4.024 221 HB2 SER 30 HB2 SER 30 128.752 -16.259 -6.212 222 HB3 SER 30 HB1 SER 30 127.100 -16.855 -6.352 223 HG SER 30 HG SER 30 127.371 -14.995 -7.606 224 H ASN 31 HN ASN 31 127.533 -13.508 -3.510 225 HA ASN 31 HA ASN 31 130.501 -13.458 -3.172 226 HB2 ASN 31 HB2 ASN 31 130.279 -11.027 -3.074 227 HB3 ASN 31 HB1 ASN 31 129.469 -11.633 -4.518 228 HD21 ASN 31 HD21 ASN 31 128.325 -9.383 -4.146 229 HD22 ASN 31 HD22 ASN 31 126.925 -9.413 -3.187 230 H ASN 32 HN ASN 32 127.775 -14.112 -1.395 231 HA ASN 32 HA ASN 32 129.212 -13.799 1.121 232 HB2 ASN 32 HB2 ASN 32 128.202 -11.500 0.623 233 HB3 ASN 32 HB1 ASN 32 126.625 -12.259 0.838 234 HD21 ASN 32 HD21 ASN 32 126.152 -11.107 2.829 235 HD22 ASN 32 HD22 ASN 32 126.991 -11.427 4.269 236 H GLN 33 HN GLN 33 127.142 -14.092 2.909 237 HA GLN 33 HA GLN 33 126.283 -16.819 2.338 238 HB2 GLN 33 HB2 GLN 33 125.414 -16.827 4.580 239 HB3 GLN 33 HB1 GLN 33 126.946 -15.954 4.626 240 HG2 GLN 33 HG2 GLN 33 125.646 -13.809 4.388 241 HG3 GLN 33 HG1 GLN 33 124.165 -14.751 4.571 242 HE21 GLN 33 HE21 GLN 33 126.500 -13.031 6.326 243 HE22 GLN 33 HE22 GLN 33 126.183 -13.681 7.861 244 H GLN 34 HN GLN 34 123.759 -17.086 3.268 245 HA GLN 34 HA GLN 34 122.172 -15.954 1.108 246 HB2 GLN 34 HB2 GLN 34 120.288 -17.168 2.246 247 HB3 GLN 34 HB1 GLN 34 121.666 -18.201 1.875 248 HG2 GLN 34 HG2 GLN 34 122.492 -17.874 4.204 249 HG3 GLN 34 HG1 GLN 34 121.040 -16.936 4.559 250 HE21 GLN 34 HE21 GLN 34 120.670 -18.767 6.204 251 HE22 GLN 34 HE22 GLN 34 119.902 -20.177 5.653 252 H ASP 35 HN ASP 35 123.154 -13.801 2.443 253 HA ASP 35 HA ASP 35 120.694 -12.669 3.677 254 HB2 ASP 35 HB2 ASP 35 123.476 -12.592 4.872 255 HB3 ASP 35 HB1 ASP 35 122.175 -11.517 5.378 256 H ILE 36 HN ILE 36 120.214 -10.917 2.415 257 HA ILE 36 HA ILE 36 122.426 -9.535 1.004 258 HB ILE 36 HB ILE 36 119.427 -9.098 0.823 259 HG12 ILE 36 HG12 ILE 36 119.987 -11.355 0.085 260 HG13 ILE 36 HG11 ILE 36 119.656 -10.358 -1.332 261 HG21 ILE 36 HG21 ILE 36 120.113 -8.037 -1.378 262 HG22 ILE 36 HG22 ILE 36 121.782 -8.132 -0.817 263 HG23 ILE 36 HG23 ILE 36 120.611 -7.148 0.061 264 HD11 ILE 36 HD11 ILE 36 122.247 -9.913 -1.281 265 HD12 ILE 36 HD12 ILE 36 121.640 -11.422 -1.956 266 HD13 ILE 36 HD13 ILE 36 122.289 -11.386 -0.317 267 H VAL 37 HN VAL 37 123.245 -7.649 1.791 268 HA VAL 37 HA VAL 37 121.596 -6.164 3.802 269 HB VAL 37 HB VAL 37 124.569 -6.681 3.754 270 HG11 VAL 37 HG11 VAL 37 124.456 -4.420 4.398 271 HG12 VAL 37 HG12 VAL 37 124.401 -5.275 5.940 272 HG13 VAL 37 HG13 VAL 37 122.916 -4.640 5.231 273 HG21 VAL 37 HG21 VAL 37 124.212 -7.960 5.657 274 HG22 VAL 37 HG22 VAL 37 122.703 -8.264 4.797 275 HG23 VAL 37 HG23 VAL 37 122.751 -7.080 6.104 276 H CYS 38 HN CYS 38 121.213 -4.069 3.299 277 HA CYS 38 HA CYS 38 122.768 -2.877 1.046 278 HB2 CYS 38 HB2 CYS 38 120.128 -2.056 2.307 279 HB3 CYS 38 HB1 CYS 38 120.925 -1.203 0.984 280 H THR 39 HN THR 39 124.591 -1.983 2.040 281 HA THR 39 HA THR 39 124.191 -0.409 4.520 282 HB THR 39 HB THR 39 126.699 -1.262 3.046 283 HG1 THR 39 HG1 THR 39 126.479 -2.952 4.239 284 HG21 THR 39 HG21 THR 39 127.244 0.789 4.108 285 HG22 THR 39 HG22 THR 39 127.775 -0.459 5.234 286 HG23 THR 39 HG23 THR 39 126.265 0.405 5.524 287 H VAL 40 HN VAL 40 123.903 1.741 4.375 288 HA VAL 40 HA VAL 40 125.248 3.221 2.161 289 HB VAL 40 HB VAL 40 123.146 4.582 1.871 290 HG11 VAL 40 HG11 VAL 40 123.808 2.672 0.363 291 HG12 VAL 40 HG12 VAL 40 122.073 2.974 0.419 292 HG13 VAL 40 HG13 VAL 40 122.761 1.625 1.322 293 HG21 VAL 40 HG21 VAL 40 121.121 3.939 2.866 294 HG22 VAL 40 HG22 VAL 40 122.276 3.659 4.168 295 HG23 VAL 40 HG23 VAL 40 121.693 2.304 3.201 296 H LYS 41 HN LYS 41 125.491 5.535 2.674 297 HA LYS 41 HA LYS 41 125.679 5.941 5.613 298 HB2 LYS 41 HB2 LYS 41 127.696 6.377 4.249 299 HB3 LYS 41 HB1 LYS 41 126.806 7.592 3.330 300 HG2 LYS 41 HG2 LYS 41 126.429 8.887 5.395 301 HG3 LYS 41 HG1 LYS 41 127.313 7.672 6.319 302 HD2 LYS 41 HD2 LYS 41 129.332 8.110 4.963 303 HD3 LYS 41 HD1 LYS 41 128.451 9.342 4.057 304 HE2 LYS 41 HE2 LYS 41 128.858 9.407 7.060 305 HE3 LYS 41 HE1 LYS 41 129.857 10.290 5.906 306 HZ1 LYS 41 HZ1 LYS 41 126.989 10.656 6.515 307 HZ2 LYS 41 HZ2 LYS 41 127.664 11.228 5.064 308 HZ3 LYS 41 HZ3 LYS 41 128.235 11.806 6.556 309 H ALA 42 HN ALA 42 124.061 7.043 6.585 310 HA ALA 42 HA ALA 42 122.227 8.674 4.932 311 HB1 ALA 42 HB1 ALA 42 121.212 7.138 6.533 312 HB2 ALA 42 HB2 ALA 42 120.890 8.795 7.038 313 HB3 ALA 42 HB3 ALA 42 122.137 7.855 7.852 314 H HIS 43 HN HIS 43 121.702 10.892 5.563 315 HA HIS 43 HA HIS 43 123.833 12.222 7.191 316 HB2 HIS 43 HB2 HIS 43 124.050 12.439 4.613 317 HB3 HIS 43 HB1 HIS 43 122.649 13.503 4.735 318 HD1 HIS 43 HD1 HIS 43 126.081 13.144 6.373 319 HD2 HIS 43 HD2 HIS 43 123.333 16.107 5.338 320 HE1 HIS 43 HE1 HIS 43 127.166 15.361 6.946 321 HE2 HIS 43 HE2 HIS 43 125.503 17.170 6.321 322 H ALA 44 HN ALA 44 123.137 14.147 8.264 323 HA ALA 44 HA ALA 44 120.527 14.097 9.345 324 HB1 ALA 44 HB1 ALA 44 121.407 16.794 9.435 325 HB2 ALA 44 HB2 ALA 44 122.855 15.802 9.507 326 HB3 ALA 44 HB3 ALA 44 121.578 15.578 10.697 327 H ASN 45 HN ASN 45 121.685 15.512 6.374 328 HA ASN 45 HA ASN 45 119.105 16.948 6.002 329 HB2 ASN 45 HB2 ASN 45 121.482 17.926 5.487 330 HB3 ASN 45 HB1 ASN 45 121.363 16.962 4.015 331 HD21 ASN 45 HD21 ASN 45 121.086 18.784 2.579 332 HD22 ASN 45 HD22 ASN 45 119.693 19.754 2.607 333 H ASP 46 HN ASP 46 120.874 14.154 4.939 334 HA ASP 46 HA ASP 46 119.356 13.730 2.495 335 HB2 ASP 46 HB2 ASP 46 121.126 11.931 4.165 336 HB3 ASP 46 HB1 ASP 46 120.352 11.398 2.676 337 H LEU 47 HN LEU 47 117.462 12.571 2.232 338 HA LEU 47 HA LEU 47 115.925 11.917 4.636 339 HB2 LEU 47 HB2 LEU 47 115.281 11.405 1.712 340 HB3 LEU 47 HB1 LEU 47 114.147 11.288 3.058 341 HG LEU 47 HG LEU 47 115.611 13.804 2.203 342 HD11 LEU 47 HD11 LEU 47 112.663 13.117 2.034 343 HD12 LEU 47 HD12 LEU 47 113.778 12.998 0.672 344 HD13 LEU 47 HD13 LEU 47 113.452 14.567 1.412 345 HD21 LEU 47 HD21 LEU 47 115.255 14.097 4.494 346 HD22 LEU 47 HD22 LEU 47 113.797 13.106 4.492 347 HD23 LEU 47 HD23 LEU 47 113.755 14.738 3.824 348 H ILE 48 HN ILE 48 115.332 9.782 5.294 349 HA ILE 48 HA ILE 48 116.907 7.598 3.958 350 HB ILE 48 HB ILE 48 117.070 6.542 6.195 351 HG12 ILE 48 HG12 ILE 48 115.928 9.158 7.220 352 HG13 ILE 48 HG11 ILE 48 115.004 7.663 7.110 353 HG21 ILE 48 HG21 ILE 48 118.881 8.011 5.377 354 HG22 ILE 48 HG22 ILE 48 118.711 8.119 7.129 355 HG23 ILE 48 HG23 ILE 48 118.074 9.403 6.102 356 HD11 ILE 48 HD11 ILE 48 117.640 7.643 8.542 357 HD12 ILE 48 HD12 ILE 48 116.229 6.616 8.789 358 HD13 ILE 48 HD13 ILE 48 116.218 8.284 9.361 359 H GLY 49 HN GLY 49 115.856 5.644 3.630 360 HA2 GLY 49 HA2 GLY 49 113.438 4.800 4.856 361 HA3 GLY 49 HA1 GLY 49 113.006 5.664 3.380 362 H PHE 50 HN PHE 50 112.221 3.278 2.981 363 HA PHE 50 HA PHE 50 113.990 2.127 1.021 364 HB2 PHE 50 HB2 PHE 50 114.499 0.007 2.100 365 HB3 PHE 50 HB1 PHE 50 115.110 1.323 3.103 366 HD1 PHE 50 HD2 PHE 50 114.003 1.931 5.207 367 HD2 PHE 50 HD1 PHE 50 112.582 -1.324 2.793 368 HE1 PHE 50 HE2 PHE 50 112.630 1.123 7.107 369 HE2 PHE 50 HE1 PHE 50 111.209 -2.134 4.692 370 HZ PHE 50 HZ PHE 50 111.235 -0.913 6.850 371 H LYS 51 HN LYS 51 113.046 -0.061 0.240 372 HA LYS 51 HA LYS 51 110.154 -0.341 0.858 373 HB2 LYS 51 HB2 LYS 51 110.202 1.300 -0.956 374 HB3 LYS 51 HB1 LYS 51 111.212 0.229 -1.927 375 HG2 LYS 51 HG2 LYS 51 109.420 -1.448 -1.964 376 HG3 LYS 51 HG1 LYS 51 108.415 -0.418 -0.944 377 HD2 LYS 51 HD2 LYS 51 108.462 1.337 -2.695 378 HD3 LYS 51 HD1 LYS 51 109.424 0.272 -3.720 379 HE2 LYS 51 HE2 LYS 51 106.679 -0.434 -2.648 380 HE3 LYS 51 HE1 LYS 51 106.974 0.219 -4.259 381 HZ1 LYS 51 HZ1 LYS 51 108.585 -1.703 -4.517 382 HZ2 LYS 51 HZ2 LYS 51 106.929 -2.084 -4.535 383 HZ3 LYS 51 HZ3 LYS 51 107.856 -2.371 -3.140 384 H CYS 52 HN CYS 52 109.366 -2.422 0.402 385 HA CYS 52 HA CYS 52 111.350 -4.372 -0.681 386 HB2 CYS 52 HB2 CYS 52 109.429 -4.689 1.648 387 HB3 CYS 52 HB1 CYS 52 110.327 -6.026 0.935 388 HA PRO 53 HA PRO 53 108.286 -5.547 -3.652 389 HB2 PRO 53 HB2 PRO 53 108.397 -8.358 -3.314 390 HB3 PRO 53 HB1 PRO 53 109.362 -7.391 -4.442 391 HG2 PRO 53 HG2 PRO 53 110.082 -8.451 -1.777 392 HG3 PRO 53 HG1 PRO 53 111.096 -8.200 -3.203 393 HD2 PRO 53 HD2 PRO 53 111.228 -6.562 -1.071 394 HD3 PRO 53 HD1 PRO 53 111.417 -5.938 -2.727 395 H SER 54 HN SER 54 106.101 -6.319 -3.790 396 HA SER 54 HA SER 54 104.640 -6.193 -1.297 397 HB2 SER 54 HB2 SER 54 103.748 -6.913 -4.099 398 HB3 SER 54 HB1 SER 54 102.656 -6.655 -2.742 399 HG SER 54 HG SER 54 104.262 -4.839 -4.147 400 H ASN 55 HN ASN 55 106.214 -8.772 -2.858 401 HA ASN 55 HA ASN 55 104.326 -10.805 -1.822 402 HB2 ASN 55 HB2 ASN 55 106.900 -11.053 -3.407 403 HB3 ASN 55 HB1 ASN 55 105.888 -12.416 -2.924 404 HD21 ASN 55 HD21 ASN 55 106.488 -10.535 -5.553 405 HD22 ASN 55 HD22 ASN 55 104.962 -10.561 -6.294 406 H TYR 56 HN TYR 56 106.871 -9.041 -0.589 407 HA TYR 56 HA TYR 56 107.795 -11.280 1.165 408 HB2 TYR 56 HB2 TYR 56 109.024 -8.678 0.313 409 HB3 TYR 56 HB1 TYR 56 109.563 -9.474 1.791 410 HD1 TYR 56 HD1 TYR 56 108.760 -10.352 -1.774 411 HD2 TYR 56 HD2 TYR 56 111.305 -11.001 1.618 412 HE1 TYR 56 HE1 TYR 56 110.150 -11.905 -3.116 413 HE2 TYR 56 HE2 TYR 56 112.695 -12.560 0.282 414 HH TYR 56 HH TYR 56 112.013 -14.097 -2.038 415 H SER 57 HN SER 57 108.077 -10.760 3.491 416 HA SER 57 HA SER 57 105.870 -8.977 4.416 417 HB2 SER 57 HB2 SER 57 106.013 -11.439 5.120 418 HB3 SER 57 HB1 SER 57 107.418 -10.977 6.075 419 HG SER 57 HG SER 57 105.790 -9.216 6.782 420 H VAL 58 HN VAL 58 106.353 -7.121 5.547 421 HA VAL 58 HA VAL 58 109.209 -6.478 5.896 422 HB VAL 58 HB VAL 58 108.535 -4.229 6.177 423 HG11 VAL 58 HG11 VAL 58 107.346 -3.815 4.207 424 HG12 VAL 58 HG12 VAL 58 106.282 -5.202 4.442 425 HG13 VAL 58 HG13 VAL 58 107.952 -5.448 3.931 426 HG21 VAL 58 HG21 VAL 58 106.907 -4.284 7.879 427 HG22 VAL 58 HG22 VAL 58 105.900 -5.442 7.003 428 HG23 VAL 58 HG23 VAL 58 105.987 -3.765 6.469 429 H GLU 59 HN GLU 59 110.211 -6.959 7.739 430 HA GLU 59 HA GLU 59 108.687 -6.825 10.303 431 HB2 GLU 59 HB2 GLU 59 110.634 -8.895 9.317 432 HB3 GLU 59 HB1 GLU 59 110.438 -8.615 11.046 433 HG2 GLU 59 HG2 GLU 59 108.249 -9.389 11.067 434 HG3 GLU 59 HG1 GLU 59 107.985 -9.001 9.366 435 HA PRO 60 HA PRO 60 112.102 -3.970 10.971 436 HB2 PRO 60 HB2 PRO 60 111.428 -3.103 13.448 437 HB3 PRO 60 HB1 PRO 60 110.522 -2.616 12.001 438 HG2 PRO 60 HG2 PRO 60 109.859 -4.678 14.043 439 HG3 PRO 60 HG1 PRO 60 108.800 -3.507 13.240 440 HD2 PRO 60 HD2 PRO 60 108.997 -6.157 12.491 441 HD3 PRO 60 HD1 PRO 60 108.502 -4.848 11.391 442 H HIS 61 HN HIS 61 114.075 -4.933 11.349 443 HA HIS 61 HA HIS 61 114.390 -6.735 13.677 444 HB2 HIS 61 HB2 HIS 61 115.367 -7.165 11.312 445 HB3 HIS 61 HB1 HIS 61 116.578 -5.959 11.747 446 HD1 HIS 61 HD1 HIS 61 117.776 -8.625 11.370 447 HD2 HIS 61 HD2 HIS 61 116.033 -7.570 15.009 448 HE1 HIS 61 HE1 HIS 61 118.770 -10.168 13.118 449 HE2 HIS 61 HE2 HIS 61 117.715 -9.533 15.335 450 H ASP 62 HN ASP 62 115.115 -3.534 12.596 451 HA ASP 62 HA ASP 62 115.849 -2.650 15.240 452 HB2 ASP 62 HB2 ASP 62 117.983 -3.754 14.588 453 HB3 ASP 62 HB1 ASP 62 118.069 -2.712 13.168 454 H CYS 63 HN CYS 63 113.953 -1.945 13.238 455 HA CYS 63 HA CYS 63 114.732 0.285 11.640 456 HB2 CYS 63 HB2 CYS 63 112.036 -0.420 12.834 457 HB3 CYS 63 HB1 CYS 63 112.288 0.809 11.600 458 H PHE 64 HN PHE 64 112.752 2.263 12.547 459 HA PHE 64 HA PHE 64 114.304 3.313 14.879 460 HB2 PHE 64 HB2 PHE 64 113.305 5.552 14.051 461 HB3 PHE 64 HB1 PHE 64 114.622 4.829 13.130 462 HD1 PHE 64 HD2 PHE 64 113.998 3.313 11.136 463 HD2 PHE 64 HD1 PHE 64 111.239 6.011 13.024 464 HE1 PHE 64 HE2 PHE 64 112.552 3.246 9.121 465 HE2 PHE 64 HE1 PHE 64 109.795 5.945 11.009 466 HZ PHE 64 HZ PHE 64 110.451 4.562 9.058 467 H VAL 65 HN VAL 65 110.952 3.643 13.573 468 HA VAL 65 HA VAL 65 109.739 4.680 15.863 469 HB VAL 65 HB VAL 65 108.698 2.612 13.913 470 HG11 VAL 65 HG11 VAL 65 106.429 3.235 14.942 471 HG12 VAL 65 HG12 VAL 65 107.345 3.870 16.309 472 HG13 VAL 65 HG13 VAL 65 107.450 2.159 15.897 473 HG21 VAL 65 HG21 VAL 65 109.092 4.979 13.165 474 HG22 VAL 65 HG22 VAL 65 107.952 5.514 14.400 475 HG23 VAL 65 HG23 VAL 65 107.399 4.493 13.074 476 H SER 66 HN SER 66 109.496 1.181 15.222 477 HA SER 66 HA SER 66 110.330 0.654 18.031 478 HB2 SER 66 HB2 SER 66 107.847 0.689 18.002 479 HB3 SER 66 HB1 SER 66 107.852 -0.512 16.714 480 HG SER 66 HG SER 66 109.339 -1.077 18.998 481 H ALA 67 HN ALA 67 111.765 -1.062 18.079 482 HA ALA 67 HA ALA 67 111.582 -3.290 16.248 483 HB1 ALA 67 HB1 ALA 67 113.953 -1.498 15.745 484 HB2 ALA 67 HB2 ALA 67 112.461 -1.328 14.829 485 HB3 ALA 67 HB3 ALA 67 113.364 -2.839 14.761 486 H PHE 68 HN PHE 68 113.850 -4.490 16.292 487 HA PHE 68 HA PHE 68 114.596 -4.665 19.158 488 HB2 PHE 68 HB2 PHE 68 115.596 -6.463 16.945 489 HB3 PHE 68 HB1 PHE 68 115.457 -6.822 18.663 490 HD1 PHE 68 HD1 PHE 68 113.432 -6.035 15.632 491 HD2 PHE 68 HD2 PHE 68 113.496 -7.820 19.533 492 HE1 PHE 68 HE1 PHE 68 111.160 -6.962 15.243 493 HE2 PHE 68 HE2 PHE 68 111.228 -8.745 19.149 494 HZ PHE 68 HZ PHE 68 110.060 -8.312 16.999 495 H ASN 69 HN ASN 69 116.489 -3.752 19.867 496 HA ASN 69 HA ASN 69 118.230 -2.366 18.018 497 HB2 ASN 69 HB2 ASN 69 118.448 -2.984 20.972 498 HB3 ASN 69 HB1 ASN 69 119.664 -2.053 20.096 499 HD21 ASN 69 HD21 ASN 69 118.097 -0.883 22.206 500 HD22 ASN 69 HD22 ASN 69 117.093 0.301 21.520 501 H LEU 70 HN LEU 70 120.795 -2.852 18.772 502 HA LEU 70 HA LEU 70 121.446 -5.256 17.350 503 HB2 LEU 70 HB2 LEU 70 123.027 -3.320 19.038 504 HB3 LEU 70 HB1 LEU 70 123.777 -4.796 18.428 505 HG LEU 70 HG LEU 70 123.087 -4.155 16.120 506 HD11 LEU 70 HD11 LEU 70 122.431 -1.674 15.889 507 HD12 LEU 70 HD12 LEU 70 122.037 -1.745 17.607 508 HD13 LEU 70 HD13 LEU 70 121.184 -2.780 16.463 509 HD21 LEU 70 HD21 LEU 70 124.722 -2.324 15.859 510 HD22 LEU 70 HD22 LEU 70 125.330 -3.549 16.974 511 HD23 LEU 70 HD23 LEU 70 124.678 -2.033 17.597 512 H SER 71 HN SER 71 120.623 -4.638 20.639 513 HA SER 71 HA SER 71 121.909 -7.069 21.679 514 HB2 SER 71 HB2 SER 71 119.901 -5.178 22.944 515 HB3 SER 71 HB1 SER 71 120.743 -6.475 23.785 516 HG SER 71 HG SER 71 121.960 -4.287 22.440 517 H GLY 72 HN GLY 72 119.156 -6.353 19.907 518 HA2 GLY 72 HA2 GLY 72 117.489 -7.854 19.151 519 HA3 GLY 72 HA1 GLY 72 118.088 -9.047 20.304 520 H LYS 73 HN LYS 73 117.480 -5.891 21.547 521 HA LYS 73 HA LYS 73 115.079 -6.960 22.967 522 HB2 LYS 73 HB2 LYS 73 116.943 -4.652 23.616 523 HB3 LYS 73 HB1 LYS 73 115.508 -5.063 24.555 524 HG2 LYS 73 HG2 LYS 73 116.422 -7.298 25.013 525 HG3 LYS 73 HG1 LYS 73 117.845 -6.928 24.038 526 HD2 LYS 73 HD2 LYS 73 118.378 -5.045 25.574 527 HD3 LYS 73 HD1 LYS 73 116.998 -5.495 26.574 528 HE2 LYS 73 HE2 LYS 73 119.363 -7.289 25.947 529 HE3 LYS 73 HE1 LYS 73 119.102 -6.440 27.471 530 HZ1 LYS 73 HZ1 LYS 73 117.463 -8.605 26.290 531 HZ2 LYS 73 HZ2 LYS 73 116.907 -7.632 27.566 532 HZ3 LYS 73 HZ3 LYS 73 118.283 -8.607 27.775 533 H ASN 74 HN ASN 74 113.098 -5.949 22.703 534 HA ASN 74 HA ASN 74 112.821 -4.092 20.479 535 HB2 ASN 74 HB2 ASN 74 111.114 -5.828 21.008 536 HB3 ASN 74 HB1 ASN 74 110.742 -4.969 22.504 537 HD21 ASN 74 HD21 ASN 74 108.725 -5.299 20.526 538 HD22 ASN 74 HD22 ASN 74 108.377 -3.785 19.841 539 H GLU 75 HN GLU 75 113.302 -1.969 20.715 540 HA GLU 75 HA GLU 75 112.227 -0.532 23.079 541 HB2 GLU 75 HB2 GLU 75 115.124 -0.433 22.169 542 HB3 GLU 75 HB1 GLU 75 114.410 0.675 23.342 543 HG2 GLU 75 HG2 GLU 75 114.516 -2.343 23.643 544 HG3 GLU 75 HG1 GLU 75 115.594 -1.207 24.451 545 H ASN 76 HN ASN 76 111.294 1.389 22.447 546 HA ASN 76 HA ASN 76 111.122 2.130 19.713 547 HB2 ASN 76 HB2 ASN 76 110.420 3.354 22.332 548 HB3 ASN 76 HB1 ASN 76 110.612 4.485 21.006 549 HD21 ASN 76 HD21 ASN 76 108.139 4.715 21.397 550 HD22 ASN 76 HD22 ASN 76 107.125 3.629 20.576 551 H LEU 77 HN LEU 77 112.220 3.691 18.477 552 HA LEU 77 HA LEU 77 114.900 4.439 19.554 553 HB2 LEU 77 HB2 LEU 77 114.506 3.202 17.294 554 HB3 LEU 77 HB1 LEU 77 114.030 4.789 16.695 555 HG LEU 77 HG LEU 77 116.223 5.692 17.547 556 HD11 LEU 77 HD11 LEU 77 117.098 4.230 19.114 557 HD12 LEU 77 HD12 LEU 77 117.938 3.641 17.684 558 HD13 LEU 77 HD13 LEU 77 116.505 2.800 18.270 559 HD21 LEU 77 HD21 LEU 77 115.807 5.009 15.161 560 HD22 LEU 77 HD22 LEU 77 116.473 3.421 15.550 561 HD23 LEU 77 HD23 LEU 77 117.494 4.854 15.650 562 H GLU 78 HN GLU 78 111.909 5.802 19.337 563 HA GLU 78 HA GLU 78 112.516 8.411 18.266 564 HB2 GLU 78 HB2 GLU 78 110.454 9.059 19.734 565 HB3 GLU 78 HB1 GLU 78 110.223 7.986 18.354 566 HG2 GLU 78 HG2 GLU 78 109.958 6.110 19.682 567 HG3 GLU 78 HG1 GLU 78 110.866 6.795 21.034 568 H ASN 79 HN ASN 79 112.540 7.105 21.580 569 HA ASN 79 HA ASN 79 113.210 9.580 22.866 570 HB2 ASN 79 HB2 ASN 79 112.422 7.606 24.122 571 HB3 ASN 79 HB1 ASN 79 113.894 6.738 23.687 572 HD21 ASN 79 HD21 ASN 79 114.593 6.592 25.945 573 HD22 ASN 79 HD22 ASN 79 115.151 7.957 26.784 574 H LYS 80 HN LYS 80 115.031 7.360 20.941 575 HA LYS 80 HA LYS 80 117.636 8.360 21.891 576 HB2 LYS 80 HB2 LYS 80 117.535 6.020 21.262 577 HB3 LYS 80 HB1 LYS 80 116.863 6.431 19.685 578 HG2 LYS 80 HG2 LYS 80 119.283 5.933 19.532 579 HG3 LYS 80 HG1 LYS 80 118.947 7.602 19.086 580 HD2 LYS 80 HD2 LYS 80 119.757 8.438 21.152 581 HD3 LYS 80 HD1 LYS 80 119.692 6.846 21.914 582 HE2 LYS 80 HE2 LYS 80 121.510 6.057 20.489 583 HE3 LYS 80 HE1 LYS 80 121.529 7.589 19.616 584 HZ1 LYS 80 HZ1 LYS 80 123.239 7.354 21.406 585 HZ2 LYS 80 HZ2 LYS 80 121.974 7.381 22.540 586 HZ3 LYS 80 HZ3 LYS 80 122.251 8.726 21.540 587 H LEU 81 HN LEU 81 115.682 8.472 18.915 588 HA LEU 81 HA LEU 81 117.229 10.905 18.106 589 HB2 LEU 81 HB2 LEU 81 117.716 8.903 16.680 590 HB3 LEU 81 HB1 LEU 81 116.004 8.827 16.266 591 HG LEU 81 HG LEU 81 116.181 11.189 15.410 592 HD11 LEU 81 HD11 LEU 81 118.057 12.153 16.402 593 HD12 LEU 81 HD12 LEU 81 118.697 11.720 14.818 594 HD13 LEU 81 HD13 LEU 81 119.032 10.696 16.211 595 HD21 LEU 81 HD21 LEU 81 118.085 9.221 14.110 596 HD22 LEU 81 HD22 LEU 81 117.234 10.542 13.313 597 HD23 LEU 81 HD23 LEU 81 116.333 9.163 13.942 598 H LYS 82 HN LYS 82 115.940 12.690 17.865 599 HA LYS 82 HA LYS 82 113.053 12.430 18.214 600 HB2 LYS 82 HB2 LYS 82 114.725 14.860 17.491 601 HB3 LYS 82 HB1 LYS 82 113.046 14.886 18.028 602 HG2 LYS 82 HG2 LYS 82 115.324 13.737 19.662 603 HG3 LYS 82 HG1 LYS 82 114.694 15.372 19.865 604 HD2 LYS 82 HD2 LYS 82 112.381 14.209 20.119 605 HD3 LYS 82 HD1 LYS 82 113.322 12.745 20.414 606 HE2 LYS 82 HE2 LYS 82 113.059 13.593 22.574 607 HE3 LYS 82 HE1 LYS 82 114.637 14.232 22.113 608 HZ1 LYS 82 HZ1 LYS 82 112.556 15.710 22.994 609 HZ2 LYS 82 HZ2 LYS 82 112.428 15.893 21.311 610 HZ3 LYS 82 HZ3 LYS 82 113.870 16.312 22.106 611 H LEU 83 HN LEU 83 112.577 11.112 16.322 612 HA LEU 83 HA LEU 83 113.066 12.216 13.658 613 HB2 LEU 83 HB2 LEU 83 111.488 9.835 14.658 614 HB3 LEU 83 HB1 LEU 83 111.582 10.270 12.954 615 HG LEU 83 HG LEU 83 114.005 9.766 14.706 616 HD11 LEU 83 HD11 LEU 83 114.161 7.603 13.513 617 HD12 LEU 83 HD12 LEU 83 112.632 7.946 12.702 618 HD13 LEU 83 HD13 LEU 83 112.671 7.711 14.450 619 HD21 LEU 83 HD21 LEU 83 114.828 10.995 12.924 620 HD22 LEU 83 HD22 LEU 83 113.538 10.489 11.837 621 HD23 LEU 83 HD23 LEU 83 114.866 9.389 12.200 622 H THR 84 HN THR 84 111.611 13.303 12.374 623 HA THR 84 HA THR 84 108.875 13.786 13.507 624 HB THR 84 HB THR 84 108.995 16.101 12.782 625 HG1 THR 84 HG1 THR 84 111.058 15.115 11.337 626 HG21 THR 84 HG21 THR 84 111.023 16.856 14.145 627 HG22 THR 84 HG22 THR 84 111.379 15.145 14.373 628 HG23 THR 84 HG23 THR 84 109.867 15.820 14.980 629 H ASN 85 HN ASN 85 107.279 14.373 11.813 630 HA ASN 85 HA ASN 85 106.212 13.874 9.775 631 HB2 ASN 85 HB2 ASN 85 109.022 14.455 8.808 632 HB3 ASN 85 HB1 ASN 85 107.645 14.240 7.734 633 HD21 ASN 85 HD21 ASN 85 109.084 16.736 7.900 634 HD22 ASN 85 HD22 ASN 85 108.037 17.900 8.554 635 H ILE 86 HN ILE 86 106.779 11.610 11.181 636 HA ILE 86 HA ILE 86 108.336 9.718 9.601 637 HB ILE 86 HB ILE 86 106.440 9.337 11.935 638 HG12 ILE 86 HG12 ILE 86 109.465 9.186 11.830 639 HG13 ILE 86 HG11 ILE 86 108.591 10.651 12.274 640 HG21 ILE 86 HG21 ILE 86 108.075 7.429 10.295 641 HG22 ILE 86 HG22 ILE 86 106.469 7.213 10.990 642 HG23 ILE 86 HG23 ILE 86 107.893 7.129 12.024 643 HD11 ILE 86 HD11 ILE 86 108.372 7.971 13.676 644 HD12 ILE 86 HD12 ILE 86 107.478 9.429 14.111 645 HD13 ILE 86 HD13 ILE 86 109.233 9.385 14.285 646 H ILE 87 HN ILE 87 107.596 8.415 7.994 647 HA ILE 87 HA ILE 87 104.634 8.328 7.502 648 HB ILE 87 HB ILE 87 106.887 8.192 5.470 649 HG12 ILE 87 HG12 ILE 87 106.690 10.455 6.362 650 HG13 ILE 87 HG11 ILE 87 106.002 10.413 4.738 651 HG21 ILE 87 HG21 ILE 87 105.006 6.927 4.684 652 HG22 ILE 87 HG22 ILE 87 104.947 8.486 3.862 653 HG23 ILE 87 HG23 ILE 87 103.872 8.166 5.222 654 HD11 ILE 87 HD11 ILE 87 104.586 10.600 7.382 655 HD12 ILE 87 HD12 ILE 87 103.750 9.918 5.989 656 HD13 ILE 87 HD13 ILE 87 104.357 11.571 5.930 657 H MET 88 HN MET 88 103.844 6.280 7.829 658 HA MET 88 HA MET 88 105.687 3.982 7.240 659 HB2 MET 88 HB2 MET 88 103.540 4.163 9.376 660 HB3 MET 88 HB1 MET 88 104.518 2.738 9.024 661 HG2 MET 88 HG2 MET 88 106.560 3.953 9.602 662 HG3 MET 88 HG1 MET 88 105.633 5.425 9.868 663 HE1 MET 88 HE1 MET 88 106.633 2.030 10.816 664 HE2 MET 88 HE2 MET 88 104.951 1.548 11.018 665 HE3 MET 88 HE3 MET 88 105.997 1.693 12.429 666 H ASP 89 HN ASP 89 104.967 3.257 5.276 667 HA ASP 89 HA ASP 89 102.011 2.846 4.952 668 HB2 ASP 89 HB2 ASP 89 104.209 3.304 2.926 669 HB3 ASP 89 HB1 ASP 89 102.602 2.740 2.476 670 H HIS 90 HN HIS 90 101.751 0.747 5.711 671 HA HIS 90 HA HIS 90 103.704 -1.338 5.158 672 HB2 HIS 90 HB2 HIS 90 100.911 -1.410 6.318 673 HB3 HIS 90 HB1 HIS 90 101.938 -2.836 6.159 674 HD1 HIS 90 HD1 HIS 90 104.316 -2.689 7.444 675 HD2 HIS 90 HD2 HIS 90 101.462 0.140 8.566 676 HE1 HIS 90 HE1 HIS 90 105.086 -1.732 9.662 677 HE2 HIS 90 HE2 HIS 90 103.357 -0.010 10.353 678 H TYR 91 HN TYR 91 100.674 -0.282 3.684 679 HA TYR 91 HA TYR 91 100.154 -2.605 2.127 680 HB2 TYR 91 HB2 TYR 91 98.488 -0.856 2.266 681 HB3 TYR 91 HB1 TYR 91 99.591 0.314 1.537 682 HD1 TYR 91 HD1 TYR 91 97.902 -2.960 0.872 683 HD2 TYR 91 HD2 TYR 91 99.671 0.581 -0.797 684 HE1 TYR 91 HE1 TYR 91 97.153 -3.651 -1.388 685 HE2 TYR 91 HE2 TYR 91 98.920 -0.110 -3.058 686 HH TYR 91 HH TYR 91 97.595 -3.270 -3.666 687 H ASN 92 HN ASN 92 102.093 0.296 1.334 688 HA ASN 92 HA ASN 92 103.029 -1.025 -1.140 689 HB2 ASN 92 HB2 ASN 92 103.592 1.702 0.062 690 HB3 ASN 92 HB1 ASN 92 104.295 1.131 -1.451 691 HD21 ASN 92 HD21 ASN 92 102.168 3.307 -0.790 692 HD22 ASN 92 HD22 ASN 92 100.899 2.951 -1.859 693 H ASN 93 HN ASN 93 103.778 -1.316 2.011 694 HA ASN 93 HA ASN 93 105.693 -1.991 3.192 695 HB2 ASN 93 HB2 ASN 93 106.269 -3.003 0.400 696 HB3 ASN 93 HB1 ASN 93 107.282 -3.395 1.791 697 HD21 ASN 93 HD21 ASN 93 105.878 -5.463 0.418 698 HD22 ASN 93 HD22 ASN 93 104.657 -6.060 1.433 699 H THR 94 HN THR 94 105.824 0.718 2.568 700 HA THR 94 HA THR 94 108.743 1.041 2.022 701 HB THR 94 HB THR 94 107.594 1.793 0.017 702 HG1 THR 94 HG1 THR 94 109.121 3.233 0.286 703 HG21 THR 94 HG21 THR 94 105.402 2.152 1.362 704 HG22 THR 94 HG22 THR 94 105.736 3.232 0.011 705 HG23 THR 94 HG23 THR 94 106.032 3.769 1.664 706 H PHE 95 HN PHE 95 109.782 2.394 3.454 707 HA PHE 95 HA PHE 95 108.063 3.927 5.379 708 HB2 PHE 95 HB2 PHE 95 110.553 2.314 6.012 709 HB3 PHE 95 HB1 PHE 95 109.667 3.314 7.163 710 HD1 PHE 95 HD1 PHE 95 109.587 0.232 5.140 711 HD2 PHE 95 HD2 PHE 95 107.477 2.643 7.995 712 HE1 PHE 95 HE1 PHE 95 108.030 -1.649 5.576 713 HE2 PHE 95 HE2 PHE 95 105.917 0.765 8.432 714 HZ PHE 95 HZ PHE 95 106.194 -1.381 7.222 715 H TYR 96 HN TYR 96 108.799 5.992 5.872 716 HA TYR 96 HA TYR 96 111.495 6.785 4.845 717 HB2 TYR 96 HB2 TYR 96 108.955 8.420 4.523 718 HB3 TYR 96 HB1 TYR 96 110.565 8.868 3.967 719 HD1 TYR 96 HD2 TYR 96 111.637 7.642 2.091 720 HD2 TYR 96 HD1 TYR 96 107.603 6.832 3.322 721 HE1 TYR 96 HE2 TYR 96 111.217 6.470 -0.054 722 HE2 TYR 96 HE1 TYR 96 107.184 5.662 1.176 723 HH TYR 96 HH TYR 96 108.226 4.710 -0.631 724 H SER 97 HN SER 97 112.512 8.411 6.110 725 HA SER 97 HA SER 97 110.995 9.638 8.326 726 HB2 SER 97 HB2 SER 97 111.848 7.476 9.241 727 HB3 SER 97 HB1 SER 97 113.486 7.977 8.833 728 HG SER 97 HG SER 97 112.038 8.580 10.988 729 H ARG 98 HN ARG 98 112.044 11.545 9.126 730 HA ARG 98 HA ARG 98 114.211 12.525 7.323 731 HB2 ARG 98 HB2 ARG 98 112.360 14.043 9.190 732 HB3 ARG 98 HB1 ARG 98 113.573 14.780 8.143 733 HG2 ARG 98 HG2 ARG 98 112.422 13.743 6.174 734 HG3 ARG 98 HG1 ARG 98 111.161 13.165 7.260 735 HD2 ARG 98 HD2 ARG 98 110.804 15.550 7.975 736 HD3 ARG 98 HD1 ARG 98 111.925 16.053 6.719 737 HE ARG 98 HE ARG 98 109.139 15.348 6.388 738 HH11 ARG 98 HH21 ARG 98 112.230 14.956 4.909 739 HH12 ARG 98 HH22 ARG 98 111.574 14.527 3.365 740 HH21 ARG 98 HH11 ARG 98 108.275 14.782 4.395 741 HH22 ARG 98 HH12 ARG 98 109.337 14.424 3.075 742 H LEU 99 HN LEU 99 116.211 12.981 8.135 743 HA LEU 99 HA LEU 99 116.729 12.313 10.966 744 HB2 LEU 99 HB2 LEU 99 118.581 12.905 8.652 745 HB3 LEU 99 HB1 LEU 99 119.136 12.515 10.277 746 HG LEU 99 HG LEU 99 117.407 10.729 8.540 747 HD11 LEU 99 HD11 LEU 99 119.624 9.317 8.836 748 HD12 LEU 99 HD12 LEU 99 120.353 10.902 9.086 749 HD13 LEU 99 HD13 LEU 99 119.516 10.545 7.575 750 HD21 LEU 99 HD21 LEU 99 118.285 9.095 10.444 751 HD22 LEU 99 HD22 LEU 99 116.851 10.083 10.707 752 HD23 LEU 99 HD23 LEU 99 118.406 10.594 11.366 753 HA PRO 100 HA PRO 100 116.782 16.556 12.385 754 HB2 PRO 100 HB2 PRO 100 119.306 15.709 13.758 755 HB3 PRO 100 HB1 PRO 100 117.895 16.557 14.419 756 HG2 PRO 100 HG2 PRO 100 118.328 13.960 14.870 757 HG3 PRO 100 HG1 PRO 100 116.698 14.628 14.699 758 HD2 PRO 100 HD2 PRO 100 118.212 12.904 12.820 759 HD3 PRO 100 HD1 PRO 100 116.458 13.139 12.987 760 H SER 101 HN SER 101 118.421 18.444 12.394 761 HA SER 101 HA SER 101 119.881 18.382 9.866 762 HB2 SER 101 HB2 SER 101 119.348 20.480 11.954 763 HB3 SER 101 HB1 SER 101 120.535 20.766 10.684 764 HG SER 101 HG SER 101 118.698 19.976 9.270 765 H LEU 102 HN LEU 102 120.630 17.623 13.091 766 HA LEU 102 HA LEU 102 123.547 17.708 12.432 767 HB2 LEU 102 HB2 LEU 102 123.029 19.623 13.889 768 HB3 LEU 102 HB1 LEU 102 122.276 18.539 15.058 769 HG LEU 102 HG LEU 102 124.409 17.399 15.424 770 HD11 LEU 102 HD11 LEU 102 126.445 18.683 14.336 771 HD12 LEU 102 HD12 LEU 102 125.244 19.148 13.131 772 HD13 LEU 102 HD13 LEU 102 125.592 17.443 13.417 773 HD21 LEU 102 HD21 LEU 102 124.854 20.397 15.504 774 HD22 LEU 102 HD22 LEU 102 125.560 19.185 16.573 775 HD23 LEU 102 HD23 LEU 102 123.834 19.539 16.658 776 H ILE 103 HN ILE 103 124.574 15.812 12.862 777 HA ILE 103 HA ILE 103 123.548 14.016 14.972 778 HB ILE 103 HB ILE 103 123.797 13.196 12.063 779 HG12 ILE 103 HG12 ILE 103 121.486 12.951 14.013 780 HG13 ILE 103 HG11 ILE 103 121.637 14.242 12.827 781 HG21 ILE 103 HG21 ILE 103 124.777 11.406 13.273 782 HG22 ILE 103 HG22 ILE 103 123.095 10.921 13.060 783 HG23 ILE 103 HG23 ILE 103 123.633 11.574 14.606 784 HD11 ILE 103 HD11 ILE 103 121.833 11.393 11.917 785 HD12 ILE 103 HD12 ILE 103 121.321 12.814 11.019 786 HD13 ILE 103 HD13 ILE 103 120.252 12.101 12.222 787 H SER 104 HN SER 104 125.468 14.088 16.132 788 HA SER 104 HA SER 104 128.017 13.685 14.648 789 HB2 SER 104 HB2 SER 104 128.360 15.464 16.103 790 HB3 SER 104 HB1 SER 104 127.277 14.806 17.327 791 HG SER 104 HG SER 104 129.790 13.702 16.591 792 H ASP 105 HN ASP 105 125.718 11.838 16.203 793 HA ASP 105 HA ASP 105 127.565 9.994 17.541 794 HB2 ASP 105 HB2 ASP 105 124.589 10.030 17.071 795 HB3 ASP 105 HB1 ASP 105 125.396 8.605 17.733 796 H ASN 106 HN ASN 106 127.844 7.773 16.885 797 HA ASN 106 HA ASN 106 127.653 7.414 13.925 798 HB2 ASN 106 HB2 ASN 106 129.411 6.127 16.028 799 HB3 ASN 106 HB1 ASN 106 129.326 5.549 14.365 800 HD21 ASN 106 HD21 ASN 106 131.756 6.603 15.470 801 HD22 ASN 106 HD22 ASN 106 132.119 8.056 14.669 802 H TRP 107 HN TRP 107 125.391 6.995 15.741 803 HA TRP 107 HA TRP 107 125.058 4.230 16.360 804 HB2 TRP 107 HB2 TRP 107 122.651 4.763 16.558 805 HB3 TRP 107 HB1 TRP 107 123.650 5.961 17.380 806 HD1 TRP 107 HD1 TRP 107 124.208 8.226 15.821 807 HE1 TRP 107 HE1 TRP 107 122.626 9.515 14.283 808 HE3 TRP 107 HE3 TRP 107 120.644 4.654 15.077 809 HZ2 TRP 107 HZ2 TRP 107 120.144 9.095 12.905 810 HZ3 TRP 107 HZ3 TRP 107 118.677 5.132 13.649 811 HH2 TRP 107 HH2 TRP 107 118.421 7.343 12.563 812 H LYS 108 HN LYS 108 123.825 2.630 15.283 813 HA LYS 108 HA LYS 108 123.337 3.105 12.371 814 HB2 LYS 108 HB2 LYS 108 125.438 1.860 12.619 815 HB3 LYS 108 HB1 LYS 108 124.639 0.679 13.654 816 HG2 LYS 108 HG2 LYS 108 123.104 0.108 11.774 817 HG3 LYS 108 HG1 LYS 108 123.991 1.229 10.747 818 HD2 LYS 108 HD2 LYS 108 125.410 -0.989 12.206 819 HD3 LYS 108 HD1 LYS 108 124.644 -1.271 10.643 820 HE2 LYS 108 HE2 LYS 108 125.969 0.660 9.727 821 HE3 LYS 108 HE1 LYS 108 126.835 0.729 11.260 822 HZ1 LYS 108 HZ1 LYS 108 127.249 -1.751 10.833 823 HZ2 LYS 108 HZ2 LYS 108 128.167 -0.613 9.966 824 HZ3 LYS 108 HZ3 LYS 108 126.854 -1.396 9.222 825 H PHE 109 HN PHE 109 121.580 1.830 11.497 826 HA PHE 109 HA PHE 109 120.086 0.107 13.380 827 HB2 PHE 109 HB2 PHE 109 118.063 1.350 13.355 828 HB3 PHE 109 HB1 PHE 109 119.315 2.544 13.681 829 HD1 PHE 109 HD1 PHE 109 116.955 1.241 11.175 830 HD2 PHE 109 HD2 PHE 109 119.964 4.191 12.001 831 HE1 PHE 109 HE1 PHE 109 116.252 2.518 9.170 832 HE2 PHE 109 HE2 PHE 109 119.263 5.469 9.995 833 HZ PHE 109 HZ PHE 109 117.407 4.632 8.579 834 H PHE 110 HN PHE 110 118.358 -1.123 12.188 835 HA PHE 110 HA PHE 110 118.479 -0.907 9.251 836 HB2 PHE 110 HB2 PHE 110 119.054 -3.413 9.138 837 HB3 PHE 110 HB1 PHE 110 120.369 -2.309 9.536 838 HD1 PHE 110 HD2 PHE 110 120.945 -1.946 12.000 839 HD2 PHE 110 HD1 PHE 110 118.395 -5.124 10.637 840 HE1 PHE 110 HE2 PHE 110 121.307 -3.153 14.136 841 HE2 PHE 110 HE1 PHE 110 118.759 -6.330 12.774 842 HZ PHE 110 HZ PHE 110 120.215 -5.346 14.522 843 H CYS 111 HN CYS 111 116.943 -2.287 8.161 844 HA CYS 111 HA CYS 111 114.726 -3.288 9.908 845 HB2 CYS 111 HB2 CYS 111 114.552 -1.798 7.270 846 HB3 CYS 111 HB1 CYS 111 113.190 -2.638 8.002 847 H VAL 112 HN VAL 112 113.577 -5.169 8.953 848 HA VAL 112 HA VAL 112 115.196 -6.522 6.816 849 HB VAL 112 HB VAL 112 114.162 -7.651 9.412 850 HG11 VAL 112 HG11 VAL 112 113.554 -9.305 7.817 851 HG12 VAL 112 HG12 VAL 112 115.118 -9.832 8.437 852 HG13 VAL 112 HG13 VAL 112 115.014 -9.039 6.866 853 HG21 VAL 112 HG21 VAL 112 116.508 -8.296 9.695 854 HG22 VAL 112 HG22 VAL 112 116.408 -6.563 9.372 855 HG23 VAL 112 HG23 VAL 112 116.891 -7.673 8.092 856 H CYS 113 HN CYS 113 114.114 -7.648 5.299 857 HA CYS 113 HA CYS 113 111.131 -7.824 5.488 858 HB2 CYS 113 HB2 CYS 113 112.886 -7.206 3.089 859 HB3 CYS 113 HB1 CYS 113 111.193 -7.670 2.946 860 H SER 114 HN SER 114 110.404 -9.987 5.214 861 HA SER 114 HA SER 114 111.896 -11.876 3.602 862 HB2 SER 114 HB2 SER 114 112.571 -13.345 5.529 863 HB3 SER 114 HB1 SER 114 113.461 -11.829 5.428 864 HG SER 114 HG SER 114 111.751 -12.745 7.350 865 H LYS 115 HN LYS 115 111.155 -14.192 4.152 866 HA LYS 115 HA LYS 115 108.484 -14.428 5.351 867 HB2 LYS 115 HB2 LYS 115 109.001 -14.720 2.404 868 HB3 LYS 115 HB1 LYS 115 107.771 -15.714 3.176 869 HG2 LYS 115 HG2 LYS 115 106.750 -13.593 4.084 870 HG3 LYS 115 HG1 LYS 115 107.890 -12.687 3.088 871 HD2 LYS 115 HD2 LYS 115 106.993 -13.657 1.062 872 HD3 LYS 115 HD1 LYS 115 105.982 -14.768 1.982 873 HE2 LYS 115 HE2 LYS 115 105.732 -11.746 1.965 874 HE3 LYS 115 HE1 LYS 115 104.635 -12.876 1.181 875 HZ1 LYS 115 HZ1 LYS 115 104.758 -13.799 3.723 876 HZ2 LYS 115 HZ2 LYS 115 103.524 -12.812 3.098 877 HZ3 LYS 115 HZ3 LYS 115 104.821 -12.119 3.950 878 H ASP 116 HN ASP 116 107.861 -16.842 5.343 879 HA ASP 116 HA ASP 116 110.014 -18.409 6.328 880 HB2 ASP 116 HB2 ASP 116 107.307 -19.184 5.217 881 HB3 ASP 116 HB1 ASP 116 108.425 -20.364 5.903 882 H ASN 117 HN ASN 117 111.170 -20.173 5.336 883 HA ASN 117 HA ASN 117 112.538 -20.930 3.552 884 HB2 ASN 117 HB2 ASN 117 110.321 -22.190 3.381 885 HB3 ASN 117 HB1 ASN 117 109.892 -21.063 2.093 886 HD21 ASN 117 HD21 ASN 117 110.011 -22.579 0.337 887 HD22 ASN 117 HD22 ASN 117 111.462 -23.324 -0.133 888 H GLU 118 HN GLU 118 113.078 -18.379 3.460 889 HA GLU 118 HA GLU 118 113.170 -17.729 0.617 890 HB2 GLU 118 HB2 GLU 118 111.434 -16.160 2.516 891 HB3 GLU 118 HB1 GLU 118 112.160 -15.384 1.113 892 HG2 GLU 118 HG2 GLU 118 111.135 -17.344 -0.244 893 HG3 GLU 118 HG1 GLU 118 110.145 -17.626 1.187 894 H LYS 119 HN LYS 119 114.920 -16.376 0.175 895 HA LYS 119 HA LYS 119 116.965 -16.025 2.092 896 HB2 LYS 119 HB2 LYS 119 116.339 -14.671 -0.530 897 HB3 LYS 119 HB1 LYS 119 117.700 -14.130 0.447 898 HG2 LYS 119 HG2 LYS 119 117.576 -17.067 0.139 899 HG3 LYS 119 HG1 LYS 119 117.775 -16.212 -1.389 900 HD2 LYS 119 HD2 LYS 119 119.463 -15.471 0.991 901 HD3 LYS 119 HD1 LYS 119 119.909 -16.841 -0.027 902 HE2 LYS 119 HE2 LYS 119 120.040 -15.434 -1.982 903 HE3 LYS 119 HE1 LYS 119 119.356 -14.065 -1.109 904 HZ1 LYS 119 HZ1 LYS 119 121.319 -14.244 0.411 905 HZ2 LYS 119 HZ2 LYS 119 121.676 -13.746 -1.173 906 HZ3 LYS 119 HZ3 LYS 119 121.996 -15.343 -0.690 907 H LYS 120 HN LYS 120 117.419 -14.392 3.574 908 HA LYS 120 HA LYS 120 115.222 -12.517 4.143 909 HB2 LYS 120 HB2 LYS 120 116.433 -12.027 6.202 910 HB3 LYS 120 HB1 LYS 120 116.345 -13.773 5.975 911 HG2 LYS 120 HG2 LYS 120 118.625 -13.775 5.042 912 HG3 LYS 120 HG1 LYS 120 118.719 -12.027 5.246 913 HD2 LYS 120 HD2 LYS 120 119.794 -12.844 7.173 914 HD3 LYS 120 HD1 LYS 120 118.161 -12.492 7.735 915 HE2 LYS 120 HE2 LYS 120 117.527 -14.806 7.610 916 HE3 LYS 120 HE1 LYS 120 119.008 -15.228 6.751 917 HZ1 LYS 120 HZ1 LYS 120 120.086 -14.183 8.884 918 HZ2 LYS 120 HZ2 LYS 120 119.583 -15.806 8.858 919 HZ3 LYS 120 HZ3 LYS 120 118.606 -14.622 9.586 920 H LEU 121 HN LEU 121 115.321 -10.298 3.922 921 HA LEU 121 HA LEU 121 117.737 -9.216 2.521 922 HB2 LEU 121 HB2 LEU 121 114.917 -8.094 2.562 923 HB3 LEU 121 HB1 LEU 121 116.259 -7.538 1.563 924 HG LEU 121 HG LEU 121 115.021 -10.304 1.431 925 HD11 LEU 121 HD11 LEU 121 113.736 -8.183 0.558 926 HD12 LEU 121 HD12 LEU 121 113.846 -9.615 -0.467 927 HD13 LEU 121 HD13 LEU 121 114.915 -8.242 -0.752 928 HD21 LEU 121 HD21 LEU 121 116.402 -10.229 -0.780 929 HD22 LEU 121 HD22 LEU 121 117.252 -10.554 0.729 930 HD23 LEU 121 HD23 LEU 121 117.304 -8.942 0.015 931 H VAL 122 HN VAL 122 118.983 -7.868 3.785 932 HA VAL 122 HA VAL 122 117.663 -6.588 6.146 933 HB VAL 122 HB VAL 122 120.533 -7.396 5.633 934 HG11 VAL 122 HG11 VAL 122 119.320 -5.640 7.775 935 HG12 VAL 122 HG12 VAL 122 120.705 -5.293 6.738 936 HG13 VAL 122 HG13 VAL 122 120.842 -6.499 8.017 937 HG21 VAL 122 HG21 VAL 122 120.128 -9.118 7.077 938 HG22 VAL 122 HG22 VAL 122 118.441 -8.855 6.647 939 HG23 VAL 122 HG23 VAL 122 119.098 -8.141 8.119 940 H PHE 123 HN PHE 123 117.578 -4.418 6.249 941 HA PHE 123 HA PHE 123 119.084 -2.828 4.206 942 HB2 PHE 123 HB2 PHE 123 116.758 -2.462 3.861 943 HB3 PHE 123 HB1 PHE 123 116.426 -2.422 5.591 944 HD1 PHE 123 HD1 PHE 123 118.495 -0.623 3.032 945 HD2 PHE 123 HD2 PHE 123 116.162 -0.351 6.620 946 HE1 PHE 123 HE1 PHE 123 118.772 1.837 3.023 947 HE2 PHE 123 HE2 PHE 123 116.434 2.111 6.616 948 HZ PHE 123 HZ PHE 123 117.737 3.208 4.815 949 H THR 124 HN THR 124 120.766 -1.637 5.096 950 HA THR 124 HA THR 124 120.433 -0.713 7.923 951 HB THR 124 HB THR 124 121.792 -2.857 7.750 952 HG1 THR 124 HG1 THR 124 123.543 -1.798 9.037 953 HG21 THR 124 HG21 THR 124 122.963 -2.024 5.627 954 HG22 THR 124 HG22 THR 124 123.992 -2.764 6.851 955 HG23 THR 124 HG23 THR 124 123.935 -1.010 6.693 956 H VAL 125 HN VAL 125 121.344 1.225 8.435 957 HA VAL 125 HA VAL 125 123.071 2.578 6.428 958 HB VAL 125 HB VAL 125 121.763 4.565 6.404 959 HG11 VAL 125 HG11 VAL 125 119.508 2.594 6.482 960 HG12 VAL 125 HG12 VAL 125 120.796 2.344 5.304 961 HG13 VAL 125 HG13 VAL 125 119.868 3.843 5.290 962 HG21 VAL 125 HG21 VAL 125 119.625 4.616 7.872 963 HG22 VAL 125 HG22 VAL 125 121.173 4.900 8.668 964 HG23 VAL 125 HG23 VAL 125 120.397 3.320 8.787 965 H GLU 126 HN GLU 126 124.404 4.265 7.437 966 HA GLU 126 HA GLU 126 124.478 4.027 10.441 967 HB2 GLU 126 HB2 GLU 126 126.370 2.858 9.320 968 HB3 GLU 126 HB1 GLU 126 126.833 4.379 8.562 969 HG2 GLU 126 HG2 GLU 126 127.158 5.401 10.773 970 HG3 GLU 126 HG1 GLU 126 126.656 3.900 11.552 971 H ALA 127 HN ALA 127 124.944 5.919 11.601 972 HA ALA 127 HA ALA 127 125.433 8.423 10.105 973 HB1 ALA 127 HB1 ALA 127 123.057 8.170 11.971 974 HB2 ALA 127 HB2 ALA 127 122.928 8.090 10.213 975 HB3 ALA 127 HB3 ALA 127 123.500 9.568 10.989 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 115.770 16.158 -6.752 2 H2 GLU 1 HT2 GLU 1 115.381 16.351 -5.108 3 H3 GLU 1 HT3 GLU 1 114.746 15.043 -5.987 4 HA GLU 1 HA GLU 1 117.510 14.909 -6.253 5 HB2 GLU 1 HB2 GLU 1 118.213 14.770 -3.907 6 HB3 GLU 1 HB1 GLU 1 117.586 16.383 -4.250 7 HG2 GLU 1 HG2 GLU 1 115.384 15.704 -3.323 8 HG3 GLU 1 HG1 GLU 1 116.058 14.123 -2.924 9 H LYS 2 HN LYS 2 117.800 12.994 -4.046 10 HA LYS 2 HA LYS 2 115.666 11.019 -4.711 11 HB2 LYS 2 HB2 LYS 2 118.658 10.513 -4.741 12 HB3 LYS 2 HB1 LYS 2 117.425 9.261 -4.885 13 HG2 LYS 2 HG2 LYS 2 117.661 11.628 -6.763 14 HG3 LYS 2 HG1 LYS 2 118.335 10.034 -7.100 15 HD2 LYS 2 HD2 LYS 2 115.893 9.204 -6.574 16 HD3 LYS 2 HD1 LYS 2 115.456 10.874 -6.936 17 HE2 LYS 2 HE2 LYS 2 115.304 9.896 -9.045 18 HE3 LYS 2 HE1 LYS 2 116.955 10.514 -9.063 19 HZ1 LYS 2 HZ1 LYS 2 117.758 8.348 -8.408 20 HZ2 LYS 2 HZ2 LYS 2 116.827 8.211 -9.821 21 HZ3 LYS 2 HZ3 LYS 2 116.175 7.746 -8.323 22 H VAL 3 HN VAL 3 115.452 9.326 -3.075 23 HA VAL 3 HA VAL 3 116.214 10.330 -0.384 24 HB VAL 3 HB VAL 3 114.227 8.240 -1.311 25 HG11 VAL 3 HG11 VAL 3 113.565 8.496 1.229 26 HG12 VAL 3 HG12 VAL 3 115.254 8.963 1.413 27 HG13 VAL 3 HG13 VAL 3 114.844 7.378 0.759 28 HG21 VAL 3 HG21 VAL 3 112.682 9.945 -0.119 29 HG22 VAL 3 HG22 VAL 3 113.322 10.386 -1.702 30 HG23 VAL 3 HG23 VAL 3 114.047 11.055 -0.240 31 H LYS 4 HN LYS 4 117.719 9.267 0.859 32 HA LYS 4 HA LYS 4 119.284 7.133 -0.295 33 HB2 LYS 4 HB2 LYS 4 119.132 8.054 2.597 34 HB3 LYS 4 HB1 LYS 4 120.393 7.033 1.907 35 HG2 LYS 4 HG2 LYS 4 119.759 9.852 0.991 36 HG3 LYS 4 HG1 LYS 4 121.099 9.410 2.050 37 HD2 LYS 4 HD2 LYS 4 121.772 7.762 0.166 38 HD3 LYS 4 HD1 LYS 4 120.699 8.720 -0.856 39 HE2 LYS 4 HE2 LYS 4 121.953 10.749 -0.350 40 HE3 LYS 4 HE1 LYS 4 122.988 9.858 0.767 41 HZ1 LYS 4 HZ1 LYS 4 124.007 8.724 -0.942 42 HZ2 LYS 4 HZ2 LYS 4 123.781 10.258 -1.636 43 HZ3 LYS 4 HZ3 LYS 4 122.733 8.981 -2.033 44 H GLY 5 HN GLY 5 118.682 5.029 -0.399 45 HA2 GLY 5 HA2 GLY 5 117.661 3.551 1.808 46 HA3 GLY 5 HA1 GLY 5 116.304 4.018 0.785 47 H CYS 6 HN CYS 6 116.725 1.369 0.985 48 HA CYS 6 HA CYS 6 118.182 0.629 -1.523 49 HB2 CYS 6 HB2 CYS 6 118.842 -0.344 0.810 50 HB3 CYS 6 HB1 CYS 6 117.406 -1.344 0.611 51 H ASP 7 HN ASP 7 116.969 -0.122 -3.165 52 HA ASP 7 HA ASP 7 114.087 -0.673 -2.617 53 HB2 ASP 7 HB2 ASP 7 114.835 1.036 -4.378 54 HB3 ASP 7 HB1 ASP 7 115.386 -0.343 -5.328 55 H PHE 8 HN PHE 8 113.786 -2.825 -2.201 56 HA PHE 8 HA PHE 8 115.464 -4.836 -3.583 57 HB2 PHE 8 HB2 PHE 8 113.295 -5.081 -1.479 58 HB3 PHE 8 HB1 PHE 8 114.177 -6.451 -2.148 59 HD1 PHE 8 HD2 PHE 8 116.625 -6.676 -1.765 60 HD2 PHE 8 HD1 PHE 8 114.308 -3.582 0.108 61 HE1 PHE 8 HE2 PHE 8 118.462 -6.279 -0.148 62 HE2 PHE 8 HE1 PHE 8 116.145 -3.187 1.726 63 HZ PHE 8 HZ PHE 8 118.222 -4.535 1.600 64 H THR 9 HN THR 9 112.748 -3.119 -4.307 65 HA THR 9 HA THR 9 111.387 -5.378 -5.691 66 HB THR 9 HB THR 9 110.437 -2.522 -5.350 67 HG1 THR 9 HG1 THR 9 110.814 -4.175 -3.464 68 HG21 THR 9 HG21 THR 9 109.098 -5.110 -6.166 69 HG22 THR 9 HG22 THR 9 109.284 -3.650 -7.135 70 HG23 THR 9 HG23 THR 9 108.209 -3.649 -5.738 71 H THR 10 HN THR 10 113.461 -2.691 -6.340 72 HA THR 10 HA THR 10 113.330 -3.304 -9.211 73 HB THR 10 HB THR 10 112.662 -0.510 -8.243 74 HG1 THR 10 HG1 THR 10 110.805 -1.500 -7.974 75 HG21 THR 10 HG21 THR 10 112.975 -1.800 -10.950 76 HG22 THR 10 HG22 THR 10 113.733 -0.329 -10.342 77 HG23 THR 10 HG23 THR 10 112.013 -0.338 -10.735 78 H SER 11 HN SER 11 115.390 -3.188 -9.969 79 HA SER 11 HA SER 11 117.547 -2.203 -8.341 80 HB2 SER 11 HB2 SER 11 118.936 -2.581 -10.359 81 HB3 SER 11 HB1 SER 11 117.880 -3.954 -10.041 82 HG SER 11 HG SER 11 117.702 -1.957 -12.016 83 H GLU 12 HN GLU 12 115.474 -0.752 -10.728 84 HA GLU 12 HA GLU 12 117.093 1.765 -10.595 85 HB2 GLU 12 HB2 GLU 12 115.131 0.806 -12.705 86 HB3 GLU 12 HB1 GLU 12 115.928 2.379 -12.714 87 HG2 GLU 12 HG2 GLU 12 117.370 -0.289 -12.733 88 HG3 GLU 12 HG1 GLU 12 117.105 0.726 -14.153 89 H SER 13 HN SER 13 115.899 2.001 -8.458 90 HA SER 13 HA SER 13 113.035 2.383 -8.469 91 HB2 SER 13 HB2 SER 13 113.267 2.957 -6.212 92 HB3 SER 13 HB1 SER 13 114.660 1.912 -6.477 93 HG SER 13 HG SER 13 114.700 4.739 -6.744 94 H THR 14 HN THR 14 111.900 4.387 -8.230 95 HA THR 14 HA THR 14 113.263 6.657 -9.602 96 HB THR 14 HB THR 14 111.090 5.737 -10.532 97 HG1 THR 14 HG1 THR 14 111.540 7.794 -11.095 98 HG21 THR 14 HG21 THR 14 109.115 5.827 -9.332 99 HG22 THR 14 HG22 THR 14 109.674 7.152 -8.312 100 HG23 THR 14 HG23 THR 14 110.251 5.512 -8.021 101 H ILE 15 HN ILE 15 112.708 5.587 -6.561 102 HA ILE 15 HA ILE 15 112.435 8.365 -5.486 103 HB ILE 15 HB ILE 15 111.414 7.126 -3.444 104 HG12 ILE 15 HG12 ILE 15 110.763 5.100 -5.599 105 HG13 ILE 15 HG11 ILE 15 112.065 4.863 -4.437 106 HG21 ILE 15 HG21 ILE 15 110.114 7.647 -6.103 107 HG22 ILE 15 HG22 ILE 15 109.942 8.534 -4.589 108 HG23 ILE 15 HG23 ILE 15 109.160 6.966 -4.785 109 HD11 ILE 15 HD11 ILE 15 109.891 3.807 -3.741 110 HD12 ILE 15 HD12 ILE 15 109.192 5.424 -3.656 111 HD13 ILE 15 HD13 ILE 15 110.515 4.977 -2.579 112 H PHE 16 HN PHE 16 114.070 5.262 -5.322 113 HA PHE 16 HA PHE 16 115.720 6.274 -3.045 114 HB2 PHE 16 HB2 PHE 16 115.550 3.472 -4.195 115 HB3 PHE 16 HB1 PHE 16 116.462 3.954 -2.766 116 HD1 PHE 16 HD2 PHE 16 115.097 5.190 -0.888 117 HD2 PHE 16 HD1 PHE 16 113.341 2.742 -3.952 118 HE1 PHE 16 HE2 PHE 16 113.066 4.898 0.505 119 HE2 PHE 16 HE1 PHE 16 111.312 2.454 -2.561 120 HZ PHE 16 HZ PHE 16 111.173 3.532 -0.330 121 H SER 17 HN SER 17 117.937 6.496 -3.269 122 HA SER 17 HA SER 17 118.960 7.006 -5.915 123 HB2 SER 17 HB2 SER 17 120.206 6.898 -3.173 124 HB3 SER 17 HB1 SER 17 121.191 7.145 -4.611 125 HG SER 17 HG SER 17 119.283 8.784 -4.972 126 H LYS 18 HN LYS 18 118.826 4.109 -4.008 127 HA LYS 18 HA LYS 18 120.463 2.756 -6.087 128 HB2 LYS 18 HB2 LYS 18 120.980 2.627 -3.109 129 HB3 LYS 18 HB1 LYS 18 121.648 1.471 -4.260 130 HG2 LYS 18 HG2 LYS 18 122.651 3.406 -5.517 131 HG3 LYS 18 HG1 LYS 18 122.117 4.464 -4.211 132 HD2 LYS 18 HD2 LYS 18 123.856 2.033 -3.743 133 HD3 LYS 18 HD1 LYS 18 124.518 3.643 -4.028 134 HE2 LYS 18 HE2 LYS 18 123.012 4.433 -2.109 135 HE3 LYS 18 HE1 LYS 18 122.781 2.726 -1.733 136 HZ1 LYS 18 HZ1 LYS 18 125.422 4.064 -1.943 137 HZ2 LYS 18 HZ2 LYS 18 125.134 2.458 -1.466 138 HZ3 LYS 18 HZ3 LYS 18 124.617 3.746 -0.485 139 H GLY 19 HN GLY 19 120.102 0.438 -6.174 140 HA2 GLY 19 HA2 GLY 19 118.051 -0.751 -4.455 141 HA3 GLY 19 HA1 GLY 19 117.525 -0.488 -6.117 142 H TYR 20 HN TYR 20 117.610 -3.075 -5.235 143 HA TYR 20 HA TYR 20 120.100 -4.176 -6.489 144 HB2 TYR 20 HB2 TYR 20 118.372 -5.187 -4.231 145 HB3 TYR 20 HB1 TYR 20 119.413 -6.280 -5.144 146 HD1 TYR 20 HD1 TYR 20 119.525 -2.980 -3.362 147 HD2 TYR 20 HD2 TYR 20 121.634 -6.550 -4.483 148 HE1 TYR 20 HE1 TYR 20 121.472 -2.256 -2.006 149 HE2 TYR 20 HE2 TYR 20 123.580 -5.826 -3.127 150 HH TYR 20 HH TYR 20 124.384 -4.297 -1.738 151 H SER 21 HN SER 21 119.815 -5.991 -7.903 152 HA SER 21 HA SER 21 117.132 -6.068 -9.168 153 HB2 SER 21 HB2 SER 21 119.155 -5.753 -10.594 154 HB3 SER 21 HB1 SER 21 119.748 -7.323 -10.062 155 HG SER 21 HG SER 21 117.222 -7.583 -10.864 156 H ILE 22 HN ILE 22 116.130 -8.177 -9.620 157 HA ILE 22 HA ILE 22 116.104 -9.921 -7.377 158 HB ILE 22 HB ILE 22 114.806 -11.458 -8.819 159 HG12 ILE 22 HG12 ILE 22 115.417 -9.475 -11.032 160 HG13 ILE 22 HG11 ILE 22 116.200 -11.048 -10.879 161 HG21 ILE 22 HG21 ILE 22 114.161 -8.510 -9.111 162 HG22 ILE 22 HG22 ILE 22 113.643 -9.576 -7.806 163 HG23 ILE 22 HG23 ILE 22 113.024 -9.816 -9.440 164 HD11 ILE 22 HD11 ILE 22 114.125 -12.210 -11.168 165 HD12 ILE 22 HD12 ILE 22 114.190 -10.988 -12.438 166 HD13 ILE 22 HD13 ILE 22 113.194 -10.721 -11.006 167 H ASN 23 HN ASN 23 118.172 -9.826 -10.174 168 HA ASN 23 HA ASN 23 119.115 -12.572 -9.906 169 HB2 ASN 23 HB2 ASN 23 119.243 -11.406 -12.071 170 HB3 ASN 23 HB1 ASN 23 120.319 -10.199 -11.365 171 HD21 ASN 23 HD21 ASN 23 122.373 -10.640 -12.207 172 HD22 ASN 23 HD22 ASN 23 123.094 -12.176 -12.238 173 H GLU 24 HN GLU 24 120.541 -9.368 -9.178 174 HA GLU 24 HA GLU 24 122.951 -10.227 -8.047 175 HB2 GLU 24 HB2 GLU 24 121.177 -7.909 -7.225 176 HB3 GLU 24 HB1 GLU 24 122.838 -8.126 -6.670 177 HG2 GLU 24 HG2 GLU 24 121.998 -7.916 -9.577 178 HG3 GLU 24 HG1 GLU 24 122.700 -6.603 -8.632 179 H ILE 25 HN ILE 25 119.752 -10.023 -6.478 180 HA ILE 25 HA ILE 25 120.852 -10.882 -3.909 181 HB ILE 25 HB ILE 25 118.478 -11.000 -3.202 182 HG12 ILE 25 HG12 ILE 25 117.866 -10.187 -6.056 183 HG13 ILE 25 HG11 ILE 25 117.624 -11.815 -5.425 184 HG21 ILE 25 HG21 ILE 25 118.095 -8.664 -3.274 185 HG22 ILE 25 HG22 ILE 25 118.866 -8.501 -4.851 186 HG23 ILE 25 HG23 ILE 25 119.846 -8.820 -3.419 187 HD11 ILE 25 HD11 ILE 25 115.508 -10.697 -5.240 188 HD12 ILE 25 HD12 ILE 25 116.255 -9.271 -4.521 189 HD13 ILE 25 HD13 ILE 25 116.178 -10.780 -3.611 190 H SER 26 HN SER 26 120.217 -12.482 -6.773 191 HA SER 26 HA SER 26 119.408 -15.010 -5.441 192 HB2 SER 26 HB2 SER 26 119.707 -14.266 -8.365 193 HB3 SER 26 HB1 SER 26 119.251 -15.869 -7.795 194 HG SER 26 HG SER 26 117.541 -14.672 -6.607 195 H ASN 27 HN ASN 27 121.795 -14.162 -7.978 196 HA ASN 27 HA ASN 27 123.627 -16.182 -6.751 197 HB2 ASN 27 HB2 ASN 27 123.418 -15.113 -9.579 198 HB3 ASN 27 HB1 ASN 27 124.748 -16.129 -9.020 199 HD21 ASN 27 HD21 ASN 27 122.895 -16.980 -11.076 200 HD22 ASN 27 HD22 ASN 27 122.011 -18.295 -10.467 201 H LYS 28 HN LYS 28 124.124 -13.334 -8.847 202 HA LYS 28 HA LYS 28 126.645 -12.649 -7.759 203 HB2 LYS 28 HB2 LYS 28 124.556 -11.206 -9.340 204 HB3 LYS 28 HB1 LYS 28 125.829 -10.239 -8.596 205 HG2 LYS 28 HG2 LYS 28 126.577 -10.846 -10.809 206 HG3 LYS 28 HG1 LYS 28 127.512 -11.797 -9.657 207 HD2 LYS 28 HD2 LYS 28 126.024 -13.719 -9.995 208 HD3 LYS 28 HD1 LYS 28 125.030 -12.773 -11.105 209 HE2 LYS 28 HE2 LYS 28 126.962 -12.506 -12.617 210 HE3 LYS 28 HE1 LYS 28 127.961 -13.444 -11.508 211 HZ1 LYS 28 HZ1 LYS 28 125.706 -14.344 -13.178 212 HZ2 LYS 28 HZ2 LYS 28 126.134 -15.209 -11.779 213 HZ3 LYS 28 HZ3 LYS 28 127.260 -15.008 -13.036 214 H SER 29 HN SER 29 125.893 -13.103 -5.415 215 HA SER 29 HA SER 29 124.870 -10.565 -4.200 216 HB2 SER 29 HB2 SER 29 124.683 -13.424 -3.217 217 HB3 SER 29 HB1 SER 29 124.236 -12.020 -2.252 218 HG SER 29 HG SER 29 123.054 -13.063 -4.583 219 H SER 30 HN SER 30 127.054 -9.704 -4.178 220 HA SER 30 HA SER 30 129.087 -11.170 -2.621 221 HB2 SER 30 HB2 SER 30 129.300 -8.365 -3.729 222 HB3 SER 30 HB1 SER 30 130.611 -9.466 -3.316 223 HG SER 30 HG SER 30 128.711 -9.707 -5.411 224 H ASN 31 HN ASN 31 127.501 -11.010 -0.695 225 HA ASN 31 HA ASN 31 128.388 -8.751 0.973 226 HB2 ASN 31 HB2 ASN 31 125.965 -8.351 1.700 227 HB3 ASN 31 HB1 ASN 31 126.409 -7.740 0.105 228 HD21 ASN 31 HD21 ASN 31 123.786 -8.074 0.183 229 HD22 ASN 31 HD22 ASN 31 123.270 -9.536 -0.508 230 H ASN 32 HN ASN 32 126.137 -11.532 0.850 231 HA ASN 32 HA ASN 32 127.507 -12.839 3.051 232 HB2 ASN 32 HB2 ASN 32 124.917 -11.375 3.546 233 HB3 ASN 32 HB1 ASN 32 125.338 -12.805 4.489 234 HD21 ASN 32 HD21 ASN 32 125.215 -9.883 5.332 235 HD22 ASN 32 HD22 ASN 32 126.746 -9.561 5.991 236 H GLN 33 HN GLN 33 126.009 -14.793 3.803 237 HA GLN 33 HA GLN 33 125.447 -16.364 1.495 238 HB2 GLN 33 HB2 GLN 33 124.287 -17.898 3.130 239 HB3 GLN 33 HB1 GLN 33 125.925 -17.456 3.597 240 HG2 GLN 33 HG2 GLN 33 124.994 -15.652 5.044 241 HG3 GLN 33 HG1 GLN 33 123.369 -16.201 4.640 242 HE21 GLN 33 HE21 GLN 33 124.254 -19.089 4.598 243 HE22 GLN 33 HE22 GLN 33 124.435 -19.522 6.230 244 H GLN 34 HN GLN 34 122.741 -17.132 3.046 245 HA GLN 34 HA GLN 34 121.012 -15.884 1.098 246 HB2 GLN 34 HB2 GLN 34 119.187 -16.945 2.411 247 HB3 GLN 34 HB1 GLN 34 120.480 -18.085 2.046 248 HG2 GLN 34 HG2 GLN 34 121.445 -17.693 4.292 249 HG3 GLN 34 HG1 GLN 34 120.124 -16.581 4.656 250 HE21 GLN 34 HE21 GLN 34 119.720 -18.264 6.463 251 HE22 GLN 34 HE22 GLN 34 118.758 -19.608 6.073 252 H ASP 35 HN ASP 35 122.422 -13.870 2.459 253 HA ASP 35 HA ASP 35 120.174 -12.475 3.837 254 HB2 ASP 35 HB2 ASP 35 123.065 -12.507 4.766 255 HB3 ASP 35 HB1 ASP 35 121.763 -11.562 5.491 256 H ILE 36 HN ILE 36 119.771 -10.694 2.612 257 HA ILE 36 HA ILE 36 122.022 -9.475 1.089 258 HB ILE 36 HB ILE 36 119.068 -8.825 0.927 259 HG12 ILE 36 HG12 ILE 36 119.387 -11.164 0.323 260 HG13 ILE 36 HG11 ILE 36 119.130 -10.227 -1.148 261 HG21 ILE 36 HG21 ILE 36 121.400 -8.279 -0.933 262 HG22 ILE 36 HG22 ILE 36 120.585 -7.082 0.074 263 HG23 ILE 36 HG23 ILE 36 119.718 -7.857 -1.254 264 HD11 ILE 36 HD11 ILE 36 120.985 -11.571 -1.689 265 HD12 ILE 36 HD12 ILE 36 121.697 -11.392 -0.088 266 HD13 ILE 36 HD13 ILE 36 121.723 -10.042 -1.220 267 H VAL 37 HN VAL 37 123.009 -7.727 1.987 268 HA VAL 37 HA VAL 37 121.430 -6.114 3.958 269 HB VAL 37 HB VAL 37 124.382 -6.755 3.846 270 HG11 VAL 37 HG11 VAL 37 124.277 -4.443 4.438 271 HG12 VAL 37 HG12 VAL 37 124.426 -5.318 5.963 272 HG13 VAL 37 HG13 VAL 37 122.856 -4.696 5.453 273 HG21 VAL 37 HG21 VAL 37 124.018 -7.955 5.820 274 HG22 VAL 37 HG22 VAL 37 122.536 -8.286 4.922 275 HG23 VAL 37 HG23 VAL 37 122.540 -7.071 6.201 276 H CYS 38 HN CYS 38 121.098 -4.025 3.417 277 HA CYS 38 HA CYS 38 122.683 -2.894 1.153 278 HB2 CYS 38 HB2 CYS 38 120.027 -2.086 2.379 279 HB3 CYS 38 HB1 CYS 38 120.866 -1.136 1.152 280 H THR 39 HN THR 39 124.525 -2.059 2.163 281 HA THR 39 HA THR 39 124.172 -0.462 4.631 282 HB THR 39 HB THR 39 126.661 -1.299 3.115 283 HG1 THR 39 HG1 THR 39 125.075 -2.572 4.788 284 HG21 THR 39 HG21 THR 39 127.719 -0.577 5.363 285 HG22 THR 39 HG22 THR 39 126.227 0.328 5.615 286 HG23 THR 39 HG23 THR 39 127.257 0.694 4.230 287 H VAL 40 HN VAL 40 123.840 1.683 4.466 288 HA VAL 40 HA VAL 40 125.225 3.185 2.299 289 HB VAL 40 HB VAL 40 123.130 4.468 1.844 290 HG11 VAL 40 HG11 VAL 40 122.102 2.778 0.449 291 HG12 VAL 40 HG12 VAL 40 122.760 1.485 1.452 292 HG13 VAL 40 HG13 VAL 40 123.840 2.477 0.472 293 HG21 VAL 40 HG21 VAL 40 122.069 3.909 4.061 294 HG22 VAL 40 HG22 VAL 40 121.787 2.277 3.456 295 HG23 VAL 40 HG23 VAL 40 121.003 3.653 2.680 296 H LYS 41 HN LYS 41 125.439 5.481 2.829 297 HA LYS 41 HA LYS 41 125.382 5.918 5.770 298 HB2 LYS 41 HB2 LYS 41 126.778 7.398 3.523 299 HB3 LYS 41 HB1 LYS 41 126.829 7.901 5.214 300 HG2 LYS 41 HG2 LYS 41 127.815 5.732 5.840 301 HG3 LYS 41 HG1 LYS 41 127.753 5.213 4.155 302 HD2 LYS 41 HD2 LYS 41 129.246 7.076 3.525 303 HD3 LYS 41 HD1 LYS 41 129.316 7.587 5.212 304 HE2 LYS 41 HE2 LYS 41 130.305 5.422 5.838 305 HE3 LYS 41 HE1 LYS 41 130.217 4.888 4.160 306 HZ1 LYS 41 HZ1 LYS 41 132.417 5.732 4.736 307 HZ2 LYS 41 HZ2 LYS 41 131.747 7.241 5.135 308 HZ3 LYS 41 HZ3 LYS 41 131.689 6.679 3.532 309 H ALA 42 HN ALA 42 124.012 7.398 6.686 310 HA ALA 42 HA ALA 42 122.179 8.845 4.833 311 HB1 ALA 42 HB1 ALA 42 121.252 7.307 6.623 312 HB2 ALA 42 HB2 ALA 42 120.640 8.958 6.676 313 HB3 ALA 42 HB3 ALA 42 121.876 8.442 7.821 314 H HIS 43 HN HIS 43 121.787 11.100 5.146 315 HA HIS 43 HA HIS 43 123.875 12.489 6.789 316 HB2 HIS 43 HB2 HIS 43 123.950 12.616 4.178 317 HB3 HIS 43 HB1 HIS 43 122.596 13.730 4.367 318 HD1 HIS 43 HD1 HIS 43 125.939 13.298 6.180 319 HD2 HIS 43 HD2 HIS 43 123.574 16.296 4.501 320 HE1 HIS 43 HE1 HIS 43 127.176 15.480 6.548 321 HE2 HIS 43 HE2 HIS 43 125.745 17.310 5.531 322 H ALA 44 HN ALA 44 123.205 14.451 7.819 323 HA ALA 44 HA ALA 44 120.662 14.412 9.030 324 HB1 ALA 44 HB1 ALA 44 121.155 16.874 9.530 325 HB2 ALA 44 HB2 ALA 44 122.638 16.656 8.602 326 HB3 ALA 44 HB3 ALA 44 122.368 15.713 10.067 327 H ASN 45 HN ASN 45 121.630 15.705 5.937 328 HA ASN 45 HA ASN 45 119.012 17.097 5.647 329 HB2 ASN 45 HB2 ASN 45 121.513 17.100 3.933 330 HB3 ASN 45 HB1 ASN 45 120.031 17.962 3.519 331 HD21 ASN 45 HD21 ASN 45 122.557 19.303 4.036 332 HD22 ASN 45 HD22 ASN 45 122.360 20.244 5.434 333 H ASP 46 HN ASP 46 120.717 14.249 4.674 334 HA ASP 46 HA ASP 46 119.102 13.729 2.301 335 HB2 ASP 46 HB2 ASP 46 121.073 12.121 3.918 336 HB3 ASP 46 HB1 ASP 46 120.136 11.378 2.629 337 H LEU 47 HN LEU 47 117.228 12.508 2.181 338 HA LEU 47 HA LEU 47 115.831 11.932 4.688 339 HB2 LEU 47 HB2 LEU 47 115.065 11.343 1.808 340 HB3 LEU 47 HB1 LEU 47 114.001 11.158 3.201 341 HG LEU 47 HG LEU 47 115.317 13.770 2.401 342 HD11 LEU 47 HD11 LEU 47 113.754 13.327 0.680 343 HD12 LEU 47 HD12 LEU 47 112.855 14.326 1.824 344 HD13 LEU 47 HD13 LEU 47 112.609 12.579 1.794 345 HD21 LEU 47 HD21 LEU 47 114.811 13.975 4.674 346 HD22 LEU 47 HD22 LEU 47 113.426 12.891 4.566 347 HD23 LEU 47 HD23 LEU 47 113.311 14.533 3.937 348 H ILE 48 HN ILE 48 115.250 9.801 5.415 349 HA ILE 48 HA ILE 48 116.863 7.615 4.142 350 HB ILE 48 HB ILE 48 117.016 6.612 6.410 351 HG12 ILE 48 HG12 ILE 48 115.833 9.246 7.341 352 HG13 ILE 48 HG11 ILE 48 114.937 7.731 7.281 353 HG21 ILE 48 HG21 ILE 48 118.554 8.375 7.360 354 HG22 ILE 48 HG22 ILE 48 118.015 9.451 6.071 355 HG23 ILE 48 HG23 ILE 48 118.872 7.962 5.674 356 HD11 ILE 48 HD11 ILE 48 117.556 7.927 8.760 357 HD12 ILE 48 HD12 ILE 48 116.276 6.728 8.945 358 HD13 ILE 48 HD13 ILE 48 116.035 8.374 9.531 359 H GLY 49 HN GLY 49 115.831 5.665 3.784 360 HA2 GLY 49 HA2 GLY 49 113.455 4.750 5.033 361 HA3 GLY 49 HA1 GLY 49 112.976 5.629 3.578 362 H PHE 50 HN PHE 50 112.271 3.142 3.295 363 HA PHE 50 HA PHE 50 114.046 2.092 1.247 364 HB2 PHE 50 HB2 PHE 50 114.508 -0.068 2.299 365 HB3 PHE 50 HB1 PHE 50 115.157 1.233 3.296 366 HD1 PHE 50 HD2 PHE 50 114.076 1.866 5.410 367 HD2 PHE 50 HD1 PHE 50 112.583 -1.371 3.014 368 HE1 PHE 50 HE2 PHE 50 112.707 1.082 7.323 369 HE2 PHE 50 HE1 PHE 50 111.214 -2.156 4.927 370 HZ PHE 50 HZ PHE 50 111.276 -0.929 7.082 371 H LYS 51 HN LYS 51 113.109 -0.057 0.382 372 HA LYS 51 HA LYS 51 110.199 -0.323 0.946 373 HB2 LYS 51 HB2 LYS 51 110.334 1.305 -0.882 374 HB3 LYS 51 HB1 LYS 51 111.356 0.206 -1.807 375 HG2 LYS 51 HG2 LYS 51 109.546 -1.445 -1.894 376 HG3 LYS 51 HG1 LYS 51 108.522 -0.397 -0.911 377 HD2 LYS 51 HD2 LYS 51 108.630 1.344 -2.666 378 HD3 LYS 51 HD1 LYS 51 109.631 0.279 -3.653 379 HE2 LYS 51 HE2 LYS 51 106.845 -0.424 -2.687 380 HE3 LYS 51 HE1 LYS 51 107.205 0.224 -4.288 381 HZ1 LYS 51 HZ1 LYS 51 108.345 -2.276 -3.162 382 HZ2 LYS 51 HZ2 LYS 51 108.619 -1.663 -4.722 383 HZ3 LYS 51 HZ3 LYS 51 107.070 -2.204 -4.277 384 H CYS 52 HN CYS 52 109.426 -2.402 0.563 385 HA CYS 52 HA CYS 52 111.401 -4.398 -0.462 386 HB2 CYS 52 HB2 CYS 52 109.373 -4.690 1.780 387 HB3 CYS 52 HB1 CYS 52 110.352 -6.009 1.148 388 HA PRO 53 HA PRO 53 108.395 -5.526 -3.513 389 HB2 PRO 53 HB2 PRO 53 108.403 -8.331 -3.137 390 HB3 PRO 53 HB1 PRO 53 109.433 -7.412 -4.247 391 HG2 PRO 53 HG2 PRO 53 110.039 -8.468 -1.549 392 HG3 PRO 53 HG1 PRO 53 111.102 -8.260 -2.949 393 HD2 PRO 53 HD2 PRO 53 111.226 -6.592 -0.831 394 HD3 PRO 53 HD1 PRO 53 111.483 -6.000 -2.488 395 H SER 54 HN SER 54 106.174 -5.946 -3.633 396 HA SER 54 HA SER 54 104.687 -5.901 -1.174 397 HB2 SER 54 HB2 SER 54 103.866 -4.899 -3.285 398 HB3 SER 54 HB1 SER 54 103.723 -6.510 -3.982 399 HG SER 54 HG SER 54 102.229 -7.005 -2.333 400 H ASN 55 HN ASN 55 106.028 -8.511 -2.948 401 HA ASN 55 HA ASN 55 104.021 -10.452 -1.981 402 HB2 ASN 55 HB2 ASN 55 106.591 -10.834 -3.547 403 HB3 ASN 55 HB1 ASN 55 105.438 -12.114 -3.171 404 HD21 ASN 55 HD21 ASN 55 106.297 -10.230 -5.696 405 HD22 ASN 55 HD22 ASN 55 104.793 -10.021 -6.454 406 H TYR 56 HN TYR 56 106.540 -8.896 -0.559 407 HA TYR 56 HA TYR 56 107.340 -11.288 1.045 408 HB2 TYR 56 HB2 TYR 56 108.770 -8.753 0.322 409 HB3 TYR 56 HB1 TYR 56 109.241 -9.651 1.763 410 HD1 TYR 56 HD1 TYR 56 108.467 -10.227 -1.867 411 HD2 TYR 56 HD2 TYR 56 110.802 -11.368 1.553 412 HE1 TYR 56 HE1 TYR 56 109.745 -11.822 -3.271 413 HE2 TYR 56 HE2 TYR 56 112.080 -12.963 0.150 414 HH TYR 56 HH TYR 56 112.380 -13.790 -1.882 415 H SER 57 HN SER 57 107.813 -10.760 3.405 416 HA SER 57 HA SER 57 105.652 -8.961 4.418 417 HB2 SER 57 HB2 SER 57 107.168 -11.193 5.808 418 HB3 SER 57 HB1 SER 57 105.868 -10.243 6.523 419 HG SER 57 HG SER 57 104.437 -11.221 5.250 420 H VAL 58 HN VAL 58 106.178 -7.248 5.793 421 HA VAL 58 HA VAL 58 109.081 -6.658 6.003 422 HB VAL 58 HB VAL 58 108.493 -4.386 6.299 423 HG11 VAL 58 HG11 VAL 58 107.075 -3.912 4.402 424 HG12 VAL 58 HG12 VAL 58 106.318 -5.501 4.507 425 HG13 VAL 58 HG13 VAL 58 108.008 -5.360 4.023 426 HG21 VAL 58 HG21 VAL 58 105.961 -3.835 6.586 427 HG22 VAL 58 HG22 VAL 58 106.863 -4.388 7.997 428 HG23 VAL 58 HG23 VAL 58 105.819 -5.509 7.121 429 H GLU 59 HN GLU 59 110.097 -7.105 7.846 430 HA GLU 59 HA GLU 59 108.583 -6.978 10.420 431 HB2 GLU 59 HB2 GLU 59 110.519 -9.054 9.410 432 HB3 GLU 59 HB1 GLU 59 110.324 -8.785 11.141 433 HG2 GLU 59 HG2 GLU 59 108.850 -10.602 10.253 434 HG3 GLU 59 HG1 GLU 59 107.949 -9.283 11.003 435 HA PRO 60 HA PRO 60 112.005 -4.142 11.086 436 HB2 PRO 60 HB2 PRO 60 111.331 -3.270 13.559 437 HB3 PRO 60 HB1 PRO 60 110.431 -2.779 12.108 438 HG2 PRO 60 HG2 PRO 60 109.753 -4.838 14.151 439 HG3 PRO 60 HG1 PRO 60 108.702 -3.661 13.344 440 HD2 PRO 60 HD2 PRO 60 108.885 -6.315 12.595 441 HD3 PRO 60 HD1 PRO 60 108.400 -5.004 11.492 442 H HIS 61 HN HIS 61 113.979 -5.097 11.478 443 HA HIS 61 HA HIS 61 114.272 -6.900 13.813 444 HB2 HIS 61 HB2 HIS 61 115.237 -7.312 11.410 445 HB3 HIS 61 HB1 HIS 61 116.501 -6.192 11.919 446 HD1 HIS 61 HD1 HIS 61 115.863 -9.674 11.852 447 HD2 HIS 61 HD2 HIS 61 117.466 -7.118 14.732 448 HE1 HIS 61 HE1 HIS 61 117.161 -11.134 13.468 449 HE2 HIS 61 HE2 HIS 61 118.139 -9.587 15.224 450 H ASP 62 HN ASP 62 115.026 -3.715 12.704 451 HA ASP 62 HA ASP 62 115.808 -2.835 15.338 452 HB2 ASP 62 HB2 ASP 62 117.921 -3.959 14.629 453 HB3 ASP 62 HB1 ASP 62 117.990 -2.887 13.228 454 H CYS 63 HN CYS 63 113.904 -2.155 13.286 455 HA CYS 63 HA CYS 63 114.654 0.073 11.696 456 HB2 CYS 63 HB2 CYS 63 111.990 -0.647 12.946 457 HB3 CYS 63 HB1 CYS 63 112.199 0.633 11.756 458 H PHE 64 HN PHE 64 112.735 2.088 12.614 459 HA PHE 64 HA PHE 64 114.327 3.120 14.923 460 HB2 PHE 64 HB2 PHE 64 113.370 5.377 14.092 461 HB3 PHE 64 HB1 PHE 64 114.660 4.620 13.159 462 HD1 PHE 64 HD2 PHE 64 114.066 3.255 11.112 463 HD2 PHE 64 HD1 PHE 64 111.215 5.732 13.156 464 HE1 PHE 64 HE2 PHE 64 112.595 3.209 9.115 465 HE2 PHE 64 HE1 PHE 64 109.745 5.689 11.159 466 HZ PHE 64 HZ PHE 64 110.435 4.426 9.138 467 H VAL 65 HN VAL 65 110.963 3.512 13.640 468 HA VAL 65 HA VAL 65 109.782 4.588 15.914 469 HB VAL 65 HB VAL 65 108.701 2.473 14.035 470 HG11 VAL 65 HG11 VAL 65 106.451 3.304 15.077 471 HG12 VAL 65 HG12 VAL 65 107.454 3.773 16.450 472 HG13 VAL 65 HG13 VAL 65 107.384 2.084 15.943 473 HG21 VAL 65 HG21 VAL 65 107.382 4.376 13.187 474 HG22 VAL 65 HG22 VAL 65 109.104 4.748 13.128 475 HG23 VAL 65 HG23 VAL 65 108.099 5.428 14.407 476 H SER 66 HN SER 66 109.498 1.081 15.354 477 HA SER 66 HA SER 66 110.370 0.599 18.156 478 HB2 SER 66 HB2 SER 66 107.886 0.695 18.177 479 HB3 SER 66 HB1 SER 66 107.840 -0.545 16.925 480 HG SER 66 HG SER 66 109.426 -1.234 19.028 481 H ALA 67 HN ALA 67 111.745 -1.168 18.227 482 HA ALA 67 HA ALA 67 111.479 -3.425 16.448 483 HB1 ALA 67 HB1 ALA 67 113.898 -1.737 15.845 484 HB2 ALA 67 HB2 ALA 67 112.385 -1.478 14.985 485 HB3 ALA 67 HB3 ALA 67 113.195 -3.040 14.886 486 H PHE 68 HN PHE 68 113.784 -4.626 16.443 487 HA PHE 68 HA PHE 68 114.530 -4.828 19.301 488 HB2 PHE 68 HB2 PHE 68 115.571 -6.551 17.043 489 HB3 PHE 68 HB1 PHE 68 115.464 -6.951 18.755 490 HD1 PHE 68 HD1 PHE 68 113.374 -6.157 15.762 491 HD2 PHE 68 HD2 PHE 68 113.546 -8.022 19.627 492 HE1 PHE 68 HE1 PHE 68 111.126 -7.140 15.389 493 HE2 PHE 68 HE2 PHE 68 111.299 -9.003 19.253 494 HZ PHE 68 HZ PHE 68 110.091 -8.559 17.130 495 H ASN 69 HN ASN 69 116.394 -3.882 20.041 496 HA ASN 69 HA ASN 69 118.119 -2.432 18.216 497 HB2 ASN 69 HB2 ASN 69 118.302 -3.037 21.175 498 HB3 ASN 69 HB1 ASN 69 119.506 -2.074 20.318 499 HD21 ASN 69 HD21 ASN 69 117.824 -0.978 22.406 500 HD22 ASN 69 HD22 ASN 69 116.817 0.190 21.696 501 H LEU 70 HN LEU 70 120.680 -2.829 18.958 502 HA LEU 70 HA LEU 70 121.416 -5.235 17.589 503 HB2 LEU 70 HB2 LEU 70 122.928 -3.231 19.260 504 HB3 LEU 70 HB1 LEU 70 123.724 -4.685 18.665 505 HG LEU 70 HG LEU 70 123.942 -2.661 17.150 506 HD11 LEU 70 HD11 LEU 70 123.797 -5.274 16.516 507 HD12 LEU 70 HD12 LEU 70 123.993 -4.020 15.296 508 HD13 LEU 70 HD13 LEU 70 122.399 -4.700 15.614 509 HD21 LEU 70 HD21 LEU 70 121.025 -3.232 16.557 510 HD22 LEU 70 HD22 LEU 70 122.021 -1.944 15.882 511 HD23 LEU 70 HD23 LEU 70 121.560 -1.902 17.583 512 H SER 71 HN SER 71 120.625 -4.562 20.888 513 HA SER 71 HA SER 71 121.941 -6.966 21.948 514 HB2 SER 71 HB2 SER 71 120.902 -6.335 24.066 515 HB3 SER 71 HB1 SER 71 121.611 -4.900 23.330 516 HG SER 71 HG SER 71 119.307 -4.877 24.163 517 H GLY 72 HN GLY 72 119.172 -6.318 20.182 518 HA2 GLY 72 HA2 GLY 72 117.532 -7.868 19.459 519 HA3 GLY 72 HA1 GLY 72 118.126 -9.013 20.666 520 H LYS 73 HN LYS 73 117.514 -5.829 21.811 521 HA LYS 73 HA LYS 73 115.124 -6.850 23.266 522 HB2 LYS 73 HB2 LYS 73 116.949 -4.477 23.754 523 HB3 LYS 73 HB1 LYS 73 115.500 -4.806 24.703 524 HG2 LYS 73 HG2 LYS 73 116.392 -6.955 25.414 525 HG3 LYS 73 HG1 LYS 73 117.793 -6.759 24.361 526 HD2 LYS 73 HD2 LYS 73 118.600 -6.100 26.479 527 HD3 LYS 73 HD1 LYS 73 118.224 -4.571 25.685 528 HE2 LYS 73 HE2 LYS 73 116.128 -4.388 26.860 529 HE3 LYS 73 HE1 LYS 73 116.280 -6.026 27.496 530 HZ1 LYS 73 HZ1 LYS 73 116.943 -4.027 28.964 531 HZ2 LYS 73 HZ2 LYS 73 118.376 -4.037 28.052 532 HZ3 LYS 73 HZ3 LYS 73 117.928 -5.407 28.952 533 H ASN 74 HN ASN 74 113.113 -5.855 23.012 534 HA ASN 74 HA ASN 74 112.809 -4.135 20.664 535 HB2 ASN 74 HB2 ASN 74 111.175 -5.934 21.177 536 HB3 ASN 74 HB1 ASN 74 110.726 -5.079 22.653 537 HD21 ASN 74 HD21 ASN 74 108.789 -5.547 20.605 538 HD22 ASN 74 HD22 ASN 74 108.370 -4.057 19.907 539 H GLU 75 HN GLU 75 113.313 -2.007 20.917 540 HA GLU 75 HA GLU 75 111.998 -0.528 23.133 541 HB2 GLU 75 HB2 GLU 75 114.962 -0.447 22.494 542 HB3 GLU 75 HB1 GLU 75 114.146 0.745 23.507 543 HG2 GLU 75 HG2 GLU 75 113.465 -0.997 25.076 544 HG3 GLU 75 HG1 GLU 75 114.170 -2.239 24.043 545 H ASN 76 HN ASN 76 111.239 1.476 22.459 546 HA ASN 76 HA ASN 76 111.128 2.106 19.693 547 HB2 ASN 76 HB2 ASN 76 109.580 2.985 21.476 548 HB3 ASN 76 HB1 ASN 76 110.876 4.058 22.003 549 HD21 ASN 76 HD21 ASN 76 108.423 5.132 21.006 550 HD22 ASN 76 HD22 ASN 76 108.727 5.887 19.517 551 H LEU 77 HN LEU 77 112.321 3.587 18.423 552 HA LEU 77 HA LEU 77 115.027 4.221 19.501 553 HB2 LEU 77 HB2 LEU 77 114.568 2.986 17.248 554 HB3 LEU 77 HB1 LEU 77 114.176 4.593 16.637 555 HG LEU 77 HG LEU 77 116.409 5.392 17.432 556 HD11 LEU 77 HD11 LEU 77 116.506 2.564 18.374 557 HD12 LEU 77 HD12 LEU 77 117.232 4.010 19.078 558 HD13 LEU 77 HD13 LEU 77 117.994 3.227 17.697 559 HD21 LEU 77 HD21 LEU 77 116.518 3.006 15.561 560 HD22 LEU 77 HD22 LEU 77 117.679 4.331 15.626 561 HD23 LEU 77 HD23 LEU 77 116.027 4.633 15.089 562 H GLU 78 HN GLU 78 112.180 5.743 19.515 563 HA GLU 78 HA GLU 78 112.798 8.282 18.274 564 HB2 GLU 78 HB2 GLU 78 110.791 9.094 19.266 565 HB3 GLU 78 HB1 GLU 78 110.476 7.404 18.876 566 HG2 GLU 78 HG2 GLU 78 109.687 7.553 21.073 567 HG3 GLU 78 HG1 GLU 78 111.330 6.957 21.312 568 H ASN 79 HN ASN 79 113.110 7.041 21.594 569 HA ASN 79 HA ASN 79 113.922 9.521 22.775 570 HB2 ASN 79 HB2 ASN 79 114.910 8.079 24.558 571 HB3 ASN 79 HB1 ASN 79 113.255 7.616 24.160 572 HD21 ASN 79 HD21 ASN 79 114.132 5.459 25.155 573 HD22 ASN 79 HD22 ASN 79 114.874 4.375 24.079 574 H LYS 80 HN LYS 80 115.603 7.133 20.854 575 HA LYS 80 HA LYS 80 118.270 8.125 21.499 576 HB2 LYS 80 HB2 LYS 80 118.053 5.816 20.793 577 HB3 LYS 80 HB1 LYS 80 117.229 6.302 19.315 578 HG2 LYS 80 HG2 LYS 80 119.604 5.763 18.881 579 HG3 LYS 80 HG1 LYS 80 119.261 7.455 18.539 580 HD2 LYS 80 HD2 LYS 80 120.295 8.185 20.551 581 HD3 LYS 80 HD1 LYS 80 120.298 6.557 21.231 582 HE2 LYS 80 HE2 LYS 80 121.932 5.831 19.561 583 HE3 LYS 80 HE1 LYS 80 121.880 7.416 18.789 584 HZ1 LYS 80 HZ1 LYS 80 122.458 7.384 21.640 585 HZ2 LYS 80 HZ2 LYS 80 123.116 8.349 20.406 586 HZ3 LYS 80 HZ3 LYS 80 123.666 6.758 20.629 587 H LEU 81 HN LEU 81 116.119 8.328 18.653 588 HA LEU 81 HA LEU 81 117.525 10.857 17.900 589 HB2 LEU 81 HB2 LEU 81 118.192 8.906 16.445 590 HB3 LEU 81 HB1 LEU 81 116.504 8.762 15.959 591 HG LEU 81 HG LEU 81 116.562 11.094 15.116 592 HD11 LEU 81 HD11 LEU 81 118.173 12.292 16.255 593 HD12 LEU 81 HD12 LEU 81 119.104 11.871 14.819 594 HD13 LEU 81 HD13 LEU 81 119.302 10.938 16.301 595 HD21 LEU 81 HD21 LEU 81 116.973 9.559 13.395 596 HD22 LEU 81 HD22 LEU 81 118.493 9.023 14.105 597 HD23 LEU 81 HD23 LEU 81 118.401 10.590 13.305 598 H LYS 82 HN LYS 82 116.107 12.534 17.576 599 HA LYS 82 HA LYS 82 113.238 12.009 17.864 600 HB2 LYS 82 HB2 LYS 82 114.821 14.561 17.444 601 HB3 LYS 82 HB1 LYS 82 113.069 14.516 17.649 602 HG2 LYS 82 HG2 LYS 82 113.300 13.515 19.852 603 HG3 LYS 82 HG1 LYS 82 115.045 13.372 19.644 604 HD2 LYS 82 HD2 LYS 82 114.646 15.330 20.991 605 HD3 LYS 82 HD1 LYS 82 115.125 15.888 19.389 606 HE2 LYS 82 HE2 LYS 82 112.904 16.461 18.798 607 HE3 LYS 82 HE1 LYS 82 112.220 15.517 20.122 608 HZ1 LYS 82 HZ1 LYS 82 113.349 17.073 21.664 609 HZ2 LYS 82 HZ2 LYS 82 112.145 17.806 20.716 610 HZ3 LYS 82 HZ3 LYS 82 113.785 18.028 20.334 611 H LEU 83 HN LEU 83 112.898 10.772 15.895 612 HA LEU 83 HA LEU 83 113.434 11.968 13.296 613 HB2 LEU 83 HB2 LEU 83 111.783 9.583 14.165 614 HB3 LEU 83 HB1 LEU 83 111.979 10.056 12.479 615 HG LEU 83 HG LEU 83 114.301 9.487 14.342 616 HD11 LEU 83 HD11 LEU 83 113.318 7.672 12.142 617 HD12 LEU 83 HD12 LEU 83 112.699 7.526 13.787 618 HD13 LEU 83 HD13 LEU 83 114.418 7.296 13.467 619 HD21 LEU 83 HD21 LEU 83 113.977 10.205 11.448 620 HD22 LEU 83 HD22 LEU 83 115.297 9.132 11.903 621 HD23 LEU 83 HD23 LEU 83 115.193 10.745 12.603 622 H THR 84 HN THR 84 111.967 12.987 11.922 623 HA THR 84 HA THR 84 109.258 13.575 13.061 624 HB THR 84 HB THR 84 109.421 15.854 12.255 625 HG1 THR 84 HG1 THR 84 110.601 15.790 10.461 626 HG21 THR 84 HG21 THR 84 111.990 15.089 13.670 627 HG22 THR 84 HG22 THR 84 110.438 15.368 14.461 628 HG23 THR 84 HG23 THR 84 111.261 16.695 13.640 629 H ASN 85 HN ASN 85 107.659 14.157 11.345 630 HA ASN 85 HA ASN 85 106.562 13.605 9.343 631 HB2 ASN 85 HB2 ASN 85 109.382 14.172 8.440 632 HB3 ASN 85 HB1 ASN 85 108.141 13.689 7.287 633 HD21 ASN 85 HD21 ASN 85 108.368 15.927 6.354 634 HD22 ASN 85 HD22 ASN 85 107.582 17.224 7.116 635 H ILE 86 HN ILE 86 106.986 11.393 10.833 636 HA ILE 86 HA ILE 86 108.463 9.354 9.354 637 HB ILE 86 HB ILE 86 106.545 9.167 11.694 638 HG12 ILE 86 HG12 ILE 86 109.564 8.902 11.617 639 HG13 ILE 86 HG11 ILE 86 108.739 10.416 11.991 640 HG21 ILE 86 HG21 ILE 86 106.503 7.003 10.834 641 HG22 ILE 86 HG22 ILE 86 107.896 6.914 11.908 642 HG23 ILE 86 HG23 ILE 86 108.133 7.122 10.173 643 HD11 ILE 86 HD11 ILE 86 107.461 9.056 13.780 644 HD12 ILE 86 HD12 ILE 86 109.148 9.450 14.111 645 HD13 ILE 86 HD13 ILE 86 108.714 7.835 13.553 646 H ILE 87 HN ILE 87 107.659 8.052 7.781 647 HA ILE 87 HA ILE 87 104.696 8.063 7.313 648 HB ILE 87 HB ILE 87 106.928 7.745 5.279 649 HG12 ILE 87 HG12 ILE 87 106.825 10.050 6.072 650 HG13 ILE 87 HG11 ILE 87 106.126 9.967 4.456 651 HG21 ILE 87 HG21 ILE 87 103.914 7.765 5.081 652 HG22 ILE 87 HG22 ILE 87 105.036 6.537 4.496 653 HG23 ILE 87 HG23 ILE 87 104.944 8.103 3.691 654 HD11 ILE 87 HD11 ILE 87 104.508 11.214 5.559 655 HD12 ILE 87 HD12 ILE 87 104.758 10.376 7.090 656 HD13 ILE 87 HD13 ILE 87 103.874 9.586 5.788 657 H MET 88 HN MET 88 103.821 6.056 7.719 658 HA MET 88 HA MET 88 105.577 3.671 7.246 659 HB2 MET 88 HB2 MET 88 103.407 4.015 9.337 660 HB3 MET 88 HB1 MET 88 104.343 2.545 9.064 661 HG2 MET 88 HG2 MET 88 106.417 3.741 9.609 662 HG3 MET 88 HG1 MET 88 105.509 5.232 9.834 663 HE1 MET 88 HE1 MET 88 105.176 1.341 12.097 664 HE2 MET 88 HE2 MET 88 106.802 2.016 12.018 665 HE3 MET 88 HE3 MET 88 105.909 1.710 10.530 666 H ASP 89 HN ASP 89 104.838 3.007 5.248 667 HA ASP 89 HA ASP 89 101.884 2.632 4.930 668 HB2 ASP 89 HB2 ASP 89 103.113 4.106 3.258 669 HB3 ASP 89 HB1 ASP 89 103.968 2.657 2.735 670 H HIS 90 HN HIS 90 101.584 0.553 5.742 671 HA HIS 90 HA HIS 90 103.486 -1.583 5.302 672 HB2 HIS 90 HB2 HIS 90 100.626 -1.559 6.284 673 HB3 HIS 90 HB1 HIS 90 101.601 -3.027 6.186 674 HD1 HIS 90 HD1 HIS 90 103.823 -3.063 7.671 675 HD2 HIS 90 HD2 HIS 90 101.187 0.062 8.498 676 HE1 HIS 90 HE1 HIS 90 104.521 -2.109 9.913 677 HE2 HIS 90 HE2 HIS 90 102.924 -0.206 10.425 678 H TYR 91 HN TYR 91 100.480 -0.589 3.694 679 HA TYR 91 HA TYR 91 100.149 -2.914 2.082 680 HB2 TYR 91 HB2 TYR 91 98.380 -1.266 2.194 681 HB3 TYR 91 HB1 TYR 91 99.434 -0.023 1.521 682 HD1 TYR 91 HD1 TYR 91 97.873 -3.331 0.764 683 HD2 TYR 91 HD2 TYR 91 99.663 0.240 -0.817 684 HE1 TYR 91 HE1 TYR 91 97.239 -4.029 -1.530 685 HE2 TYR 91 HE2 TYR 91 99.029 -0.458 -3.111 686 HH TYR 91 HH TYR 91 96.785 -2.750 -3.780 687 H ASN 92 HN ASN 92 101.955 0.103 1.428 688 HA ASN 92 HA ASN 92 103.026 -1.074 -1.058 689 HB2 ASN 92 HB2 ASN 92 103.318 1.617 0.285 690 HB3 ASN 92 HB1 ASN 92 104.305 1.160 -1.104 691 HD21 ASN 92 HD21 ASN 92 102.420 3.310 -1.279 692 HD22 ASN 92 HD22 ASN 92 101.173 2.845 -2.332 693 H ASN 93 HN ASN 93 103.739 -1.234 2.191 694 HA ASN 93 HA ASN 93 105.636 -1.919 3.384 695 HB2 ASN 93 HB2 ASN 93 106.216 -3.031 0.631 696 HB3 ASN 93 HB1 ASN 93 107.212 -3.389 2.042 697 HD21 ASN 93 HD21 ASN 93 105.745 -5.453 0.679 698 HD22 ASN 93 HD22 ASN 93 104.528 -6.015 1.720 699 H THR 94 HN THR 94 105.798 0.757 2.699 700 HA THR 94 HA THR 94 108.719 1.037 2.146 701 HB THR 94 HB THR 94 107.666 1.758 0.110 702 HG1 THR 94 HG1 THR 94 108.526 3.737 1.886 703 HG21 THR 94 HG21 THR 94 105.816 3.333 0.061 704 HG22 THR 94 HG22 THR 94 105.877 3.511 1.814 705 HG23 THR 94 HG23 THR 94 105.383 1.976 1.100 706 H PHE 95 HN PHE 95 109.764 2.492 3.500 707 HA PHE 95 HA PHE 95 108.040 4.038 5.403 708 HB2 PHE 95 HB2 PHE 95 110.617 2.587 6.081 709 HB3 PHE 95 HB1 PHE 95 109.593 3.483 7.204 710 HD1 PHE 95 HD1 PHE 95 109.846 0.454 5.099 711 HD2 PHE 95 HD2 PHE 95 107.503 2.567 8.011 712 HE1 PHE 95 HE1 PHE 95 108.467 -1.576 5.463 713 HE2 PHE 95 HE2 PHE 95 106.123 0.539 8.375 714 HZ PHE 95 HZ PHE 95 106.606 -1.532 7.101 715 H TYR 96 HN TYR 96 108.730 6.131 5.822 716 HA TYR 96 HA TYR 96 111.413 6.956 4.792 717 HB2 TYR 96 HB2 TYR 96 108.844 8.496 4.302 718 HB3 TYR 96 HB1 TYR 96 110.456 8.956 3.767 719 HD1 TYR 96 HD2 TYR 96 111.647 7.569 2.048 720 HD2 TYR 96 HD1 TYR 96 107.539 6.889 3.108 721 HE1 TYR 96 HE2 TYR 96 111.324 6.263 -0.035 722 HE2 TYR 96 HE1 TYR 96 107.217 5.585 1.024 723 HH TYR 96 HH TYR 96 108.520 4.357 -0.595 724 H SER 97 HN SER 97 112.312 8.744 5.943 725 HA SER 97 HA SER 97 110.716 10.064 8.030 726 HB2 SER 97 HB2 SER 97 111.882 9.280 9.908 727 HB3 SER 97 HB1 SER 97 111.699 7.820 8.941 728 HG SER 97 HG SER 97 113.956 9.534 9.109 729 H ARG 98 HN ARG 98 111.913 11.906 8.975 730 HA ARG 98 HA ARG 98 114.037 12.857 7.102 731 HB2 ARG 98 HB2 ARG 98 112.275 14.401 9.033 732 HB3 ARG 98 HB1 ARG 98 113.487 15.119 7.971 733 HG2 ARG 98 HG2 ARG 98 112.281 14.247 5.998 734 HG3 ARG 98 HG1 ARG 98 111.074 13.520 7.059 735 HD2 ARG 98 HD2 ARG 98 110.084 15.565 6.444 736 HD3 ARG 98 HD1 ARG 98 110.774 15.912 8.018 737 HE ARG 98 HE ARG 98 112.727 16.511 6.010 738 HH11 ARG 98 HH21 ARG 98 109.545 17.523 6.886 739 HH12 ARG 98 HH22 ARG 98 109.825 19.182 6.479 740 HH21 ARG 98 HH11 ARG 98 113.106 18.665 5.487 741 HH22 ARG 98 HH12 ARG 98 111.840 19.830 5.691 742 H LEU 99 HN LEU 99 116.072 13.310 7.870 743 HA LEU 99 HA LEU 99 116.686 12.508 10.640 744 HB2 LEU 99 HB2 LEU 99 118.353 13.202 8.227 745 HB3 LEU 99 HB1 LEU 99 119.079 13.003 9.815 746 HG LEU 99 HG LEU 99 117.417 10.914 8.383 747 HD11 LEU 99 HD11 LEU 99 119.422 10.809 7.233 748 HD12 LEU 99 HD12 LEU 99 119.833 9.792 8.616 749 HD13 LEU 99 HD13 LEU 99 120.350 11.477 8.575 750 HD21 LEU 99 HD21 LEU 99 118.579 11.156 11.119 751 HD22 LEU 99 HD22 LEU 99 118.721 9.586 10.333 752 HD23 LEU 99 HD23 LEU 99 117.132 10.302 10.586 753 HA PRO 100 HA PRO 100 116.596 16.653 12.327 754 HB2 PRO 100 HB2 PRO 100 119.111 15.750 13.678 755 HB3 PRO 100 HB1 PRO 100 117.677 16.532 14.373 756 HG2 PRO 100 HG2 PRO 100 118.139 13.916 14.655 757 HG3 PRO 100 HG1 PRO 100 116.503 14.574 14.503 758 HD2 PRO 100 HD2 PRO 100 118.070 12.999 12.537 759 HD3 PRO 100 HD1 PRO 100 116.311 13.196 12.685 760 H SER 101 HN SER 101 118.381 18.484 12.644 761 HA SER 101 HA SER 101 119.820 18.636 10.078 762 HB2 SER 101 HB2 SER 101 120.238 20.976 10.719 763 HB3 SER 101 HB1 SER 101 118.530 20.582 10.886 764 HG SER 101 HG SER 101 120.272 20.218 13.059 765 H LEU 102 HN LEU 102 120.515 17.782 13.326 766 HA LEU 102 HA LEU 102 123.442 18.003 12.735 767 HB2 LEU 102 HB2 LEU 102 122.699 19.665 14.430 768 HB3 LEU 102 HB1 LEU 102 122.095 18.344 15.429 769 HG LEU 102 HG LEU 102 124.377 17.391 15.535 770 HD11 LEU 102 HD11 LEU 102 125.530 18.029 13.623 771 HD12 LEU 102 HD12 LEU 102 126.180 19.186 14.783 772 HD13 LEU 102 HD13 LEU 102 124.905 19.677 13.669 773 HD21 LEU 102 HD21 LEU 102 125.415 19.453 16.759 774 HD22 LEU 102 HD22 LEU 102 123.910 18.774 17.380 775 HD23 LEU 102 HD23 LEU 102 123.877 20.237 16.395 776 H ILE 103 HN ILE 103 124.513 16.089 12.873 777 HA ILE 103 HA ILE 103 123.594 13.994 14.730 778 HB ILE 103 HB ILE 103 123.790 13.527 11.737 779 HG12 ILE 103 HG12 ILE 103 121.461 13.263 13.667 780 HG13 ILE 103 HG11 ILE 103 121.660 14.558 12.489 781 HG21 ILE 103 HG21 ILE 103 124.735 11.655 13.038 782 HG22 ILE 103 HG22 ILE 103 123.202 11.192 12.302 783 HG23 ILE 103 HG23 ILE 103 123.269 11.593 14.016 784 HD11 ILE 103 HD11 ILE 103 121.481 13.040 10.646 785 HD12 ILE 103 HD12 ILE 103 120.157 12.665 11.745 786 HD13 ILE 103 HD13 ILE 103 121.581 11.640 11.708 787 H SER 104 HN SER 104 125.528 13.762 15.803 788 HA SER 104 HA SER 104 127.992 13.459 14.124 789 HB2 SER 104 HB2 SER 104 129.264 14.411 15.938 790 HB3 SER 104 HB1 SER 104 127.906 15.488 15.628 791 HG SER 104 HG SER 104 128.168 15.024 17.861 792 H ASP 105 HN ASP 105 125.809 11.759 15.951 793 HA ASP 105 HA ASP 105 127.718 10.044 17.367 794 HB2 ASP 105 HB2 ASP 105 125.585 8.659 17.759 795 HB3 ASP 105 HB1 ASP 105 125.625 10.277 18.461 796 H ASN 106 HN ASN 106 128.009 7.778 16.884 797 HA ASN 106 HA ASN 106 127.861 7.203 13.972 798 HB2 ASN 106 HB2 ASN 106 129.340 5.885 16.266 799 HB3 ASN 106 HB1 ASN 106 129.319 5.228 14.630 800 HD21 ASN 106 HD21 ASN 106 131.749 6.131 15.888 801 HD22 ASN 106 HD22 ASN 106 132.306 7.492 15.040 802 H TRP 107 HN TRP 107 125.445 7.124 15.621 803 HA TRP 107 HA TRP 107 124.791 4.474 16.432 804 HB2 TRP 107 HB2 TRP 107 122.473 5.209 16.413 805 HB3 TRP 107 HB1 TRP 107 123.482 6.506 17.048 806 HD1 TRP 107 HD1 TRP 107 124.341 8.294 14.988 807 HE1 TRP 107 HE1 TRP 107 122.860 9.355 13.173 808 HE3 TRP 107 HE3 TRP 107 120.416 5.028 15.040 809 HZ2 TRP 107 HZ2 TRP 107 120.338 8.885 11.906 810 HZ3 TRP 107 HZ3 TRP 107 118.489 5.362 13.518 811 HH2 TRP 107 HH2 TRP 107 118.444 7.282 11.955 812 H LYS 108 HN LYS 108 123.469 2.900 15.381 813 HA LYS 108 HA LYS 108 123.192 3.120 12.430 814 HB2 LYS 108 HB2 LYS 108 125.353 2.000 12.796 815 HB3 LYS 108 HB1 LYS 108 124.582 0.844 13.882 816 HG2 LYS 108 HG2 LYS 108 123.168 0.029 12.042 817 HG3 LYS 108 HG1 LYS 108 123.903 1.200 10.950 818 HD2 LYS 108 HD2 LYS 108 126.111 0.157 11.306 819 HD3 LYS 108 HD1 LYS 108 125.376 -1.022 12.393 820 HE2 LYS 108 HE2 LYS 108 123.975 -1.870 10.574 821 HE3 LYS 108 HE1 LYS 108 124.628 -0.652 9.476 822 HZ1 LYS 108 HZ1 LYS 108 126.612 -2.255 10.837 823 HZ2 LYS 108 HZ2 LYS 108 126.518 -1.794 9.204 824 HZ3 LYS 108 HZ3 LYS 108 125.624 -3.125 9.765 825 H PHE 109 HN PHE 109 121.503 1.741 11.610 826 HA PHE 109 HA PHE 109 120.094 -0.032 13.488 827 HB2 PHE 109 HB2 PHE 109 118.005 1.126 13.489 828 HB3 PHE 109 HB1 PHE 109 119.218 2.329 13.907 829 HD1 PHE 109 HD2 PHE 109 119.985 3.982 12.213 830 HD2 PHE 109 HD1 PHE 109 116.779 1.236 11.423 831 HE1 PHE 109 HE2 PHE 109 119.276 5.367 10.280 832 HE2 PHE 109 HE1 PHE 109 116.068 2.620 9.493 833 HZ PHE 109 HZ PHE 109 117.316 4.686 8.922 834 H PHE 110 HN PHE 110 118.278 -1.206 12.288 835 HA PHE 110 HA PHE 110 118.406 -0.967 9.357 836 HB2 PHE 110 HB2 PHE 110 118.967 -3.479 9.219 837 HB3 PHE 110 HB1 PHE 110 120.289 -2.374 9.593 838 HD1 PHE 110 HD2 PHE 110 121.020 -2.072 11.987 839 HD2 PHE 110 HD1 PHE 110 118.243 -5.127 10.798 840 HE1 PHE 110 HE2 PHE 110 121.431 -3.276 14.117 841 HE2 PHE 110 HE1 PHE 110 118.655 -6.329 12.930 842 HZ PHE 110 HZ PHE 110 120.248 -5.404 14.586 843 H CYS 111 HN CYS 111 116.878 -2.365 8.255 844 HA CYS 111 HA CYS 111 114.648 -3.344 9.997 845 HB2 CYS 111 HB2 CYS 111 114.534 -1.848 7.359 846 HB3 CYS 111 HB1 CYS 111 113.155 -2.721 8.026 847 H VAL 112 HN VAL 112 113.501 -5.234 9.052 848 HA VAL 112 HA VAL 112 115.112 -6.580 6.910 849 HB VAL 112 HB VAL 112 114.070 -7.726 9.498 850 HG11 VAL 112 HG11 VAL 112 114.975 -9.104 6.963 851 HG12 VAL 112 HG12 VAL 112 113.482 -9.363 7.865 852 HG13 VAL 112 HG13 VAL 112 115.022 -9.900 8.536 853 HG21 VAL 112 HG21 VAL 112 116.303 -6.635 9.505 854 HG22 VAL 112 HG22 VAL 112 116.811 -7.701 8.196 855 HG23 VAL 112 HG23 VAL 112 116.423 -8.374 9.779 856 H CYS 113 HN CYS 113 114.018 -7.704 5.391 857 HA CYS 113 HA CYS 113 111.040 -7.918 5.614 858 HB2 CYS 113 HB2 CYS 113 112.723 -7.188 3.191 859 HB3 CYS 113 HB1 CYS 113 111.022 -7.630 3.095 860 H SER 114 HN SER 114 110.327 -10.066 5.197 861 HA SER 114 HA SER 114 111.869 -11.852 3.508 862 HB2 SER 114 HB2 SER 114 112.594 -13.397 5.313 863 HB3 SER 114 HB1 SER 114 113.373 -11.820 5.430 864 HG SER 114 HG SER 114 112.144 -11.326 7.141 865 H LYS 115 HN LYS 115 111.166 -14.232 4.029 866 HA LYS 115 HA LYS 115 108.436 -14.503 5.095 867 HB2 LYS 115 HB2 LYS 115 109.124 -14.950 2.177 868 HB3 LYS 115 HB1 LYS 115 107.731 -15.707 2.946 869 HG2 LYS 115 HG2 LYS 115 107.109 -13.298 3.693 870 HG3 LYS 115 HG1 LYS 115 108.239 -12.783 2.442 871 HD2 LYS 115 HD2 LYS 115 105.907 -14.670 1.981 872 HD3 LYS 115 HD1 LYS 115 105.884 -12.948 1.609 873 HE2 LYS 115 HE2 LYS 115 107.864 -13.299 0.111 874 HE3 LYS 115 HE1 LYS 115 107.722 -15.032 0.399 875 HZ1 LYS 115 HZ1 LYS 115 106.385 -13.557 -1.500 876 HZ2 LYS 115 HZ2 LYS 115 105.215 -13.917 -0.321 877 HZ3 LYS 115 HZ3 LYS 115 106.087 -15.170 -1.069 878 H ASP 116 HN ASP 116 107.874 -16.890 5.179 879 HA ASP 116 HA ASP 116 110.043 -18.440 6.159 880 HB2 ASP 116 HB2 ASP 116 107.324 -19.251 5.097 881 HB3 ASP 116 HB1 ASP 116 108.451 -20.398 5.824 882 H ASN 117 HN ASN 117 111.168 -20.240 5.180 883 HA ASN 117 HA ASN 117 112.470 -21.090 3.402 884 HB2 ASN 117 HB2 ASN 117 110.248 -22.277 3.197 885 HB3 ASN 117 HB1 ASN 117 109.790 -21.076 1.989 886 HD21 ASN 117 HD21 ASN 117 110.083 -23.906 1.388 887 HD22 ASN 117 HD22 ASN 117 111.376 -24.065 0.299 888 H GLU 118 HN GLU 118 113.139 -18.564 3.328 889 HA GLU 118 HA GLU 118 113.344 -17.897 0.508 890 HB2 GLU 118 HB2 GLU 118 111.517 -16.299 2.307 891 HB3 GLU 118 HB1 GLU 118 112.292 -15.566 0.904 892 HG2 GLU 118 HG2 GLU 118 111.323 -17.651 -0.374 893 HG3 GLU 118 HG1 GLU 118 110.219 -17.738 1.002 894 H LYS 119 HN LYS 119 115.012 -16.373 0.147 895 HA LYS 119 HA LYS 119 116.986 -16.057 2.183 896 HB2 LYS 119 HB2 LYS 119 116.528 -14.481 -0.372 897 HB3 LYS 119 HB1 LYS 119 117.980 -14.361 0.622 898 HG2 LYS 119 HG2 LYS 119 118.401 -16.772 0.298 899 HG3 LYS 119 HG1 LYS 119 116.954 -16.892 -0.700 900 HD2 LYS 119 HD2 LYS 119 117.913 -15.282 -2.300 901 HD3 LYS 119 HD1 LYS 119 119.360 -15.142 -1.300 902 HE2 LYS 119 HE2 LYS 119 119.812 -17.549 -1.611 903 HE3 LYS 119 HE1 LYS 119 118.368 -17.690 -2.614 904 HZ1 LYS 119 HZ1 LYS 119 120.720 -17.271 -3.662 905 HZ2 LYS 119 HZ2 LYS 119 120.344 -15.650 -3.321 906 HZ3 LYS 119 HZ3 LYS 119 119.327 -16.567 -4.326 907 H LYS 120 HN LYS 120 117.344 -14.397 3.672 908 HA LYS 120 HA LYS 120 115.077 -12.576 4.133 909 HB2 LYS 120 HB2 LYS 120 116.211 -12.015 6.222 910 HB3 LYS 120 HB1 LYS 120 116.174 -13.766 6.020 911 HG2 LYS 120 HG2 LYS 120 118.478 -13.735 5.172 912 HG3 LYS 120 HG1 LYS 120 118.523 -11.980 5.320 913 HD2 LYS 120 HD2 LYS 120 119.580 -12.782 7.293 914 HD3 LYS 120 HD1 LYS 120 117.952 -12.327 7.797 915 HE2 LYS 120 HE2 LYS 120 117.221 -14.586 7.857 916 HE3 LYS 120 HE1 LYS 120 118.616 -15.147 6.936 917 HZ1 LYS 120 HZ1 LYS 120 119.198 -13.767 9.425 918 HZ2 LYS 120 HZ2 LYS 120 119.930 -15.141 8.744 919 HZ3 LYS 120 HZ3 LYS 120 118.458 -15.284 9.582 920 H LEU 121 HN LEU 121 115.139 -10.338 3.952 921 HA LEU 121 HA LEU 121 117.524 -9.213 2.542 922 HB2 LEU 121 HB2 LEU 121 114.676 -8.166 2.616 923 HB3 LEU 121 HB1 LEU 121 115.994 -7.525 1.640 924 HG LEU 121 HG LEU 121 114.931 -10.356 1.419 925 HD11 LEU 121 HD11 LEU 121 114.096 -9.416 -0.837 926 HD12 LEU 121 HD12 LEU 121 114.313 -7.824 -0.109 927 HD13 LEU 121 HD13 LEU 121 113.183 -8.975 0.606 928 HD21 LEU 121 HD21 LEU 121 117.011 -8.727 -0.036 929 HD22 LEU 121 HD22 LEU 121 116.200 -10.071 -0.840 930 HD23 LEU 121 HD23 LEU 121 117.149 -10.360 0.617 931 H VAL 122 HN VAL 122 118.774 -7.902 3.825 932 HA VAL 122 HA VAL 122 117.469 -6.640 6.198 933 HB VAL 122 HB VAL 122 120.341 -7.413 5.644 934 HG11 VAL 122 HG11 VAL 122 120.607 -5.371 6.776 935 HG12 VAL 122 HG12 VAL 122 120.585 -6.543 8.093 936 HG13 VAL 122 HG13 VAL 122 119.141 -5.600 7.728 937 HG21 VAL 122 HG21 VAL 122 119.033 -8.192 8.163 938 HG22 VAL 122 HG22 VAL 122 119.935 -9.178 7.014 939 HG23 VAL 122 HG23 VAL 122 118.228 -8.841 6.736 940 H PHE 123 HN PHE 123 117.347 -4.468 6.308 941 HA PHE 123 HA PHE 123 118.819 -2.845 4.267 942 HB2 PHE 123 HB2 PHE 123 116.411 -2.613 4.038 943 HB3 PHE 123 HB1 PHE 123 116.226 -2.350 5.771 944 HD1 PHE 123 HD1 PHE 123 118.043 -0.934 2.815 945 HD2 PHE 123 HD2 PHE 123 116.120 -0.164 6.574 946 HE1 PHE 123 HE1 PHE 123 118.348 1.503 2.468 947 HE2 PHE 123 HE2 PHE 123 116.425 2.273 6.231 948 HZ PHE 123 HZ PHE 123 117.538 3.108 4.178 949 H THR 124 HN THR 124 120.530 -1.693 5.166 950 HA THR 124 HA THR 124 120.203 -0.775 7.991 951 HB THR 124 HB THR 124 121.569 -2.934 7.754 952 HG1 THR 124 HG1 THR 124 122.236 -0.570 9.046 953 HG21 THR 124 HG21 THR 124 123.811 -2.757 6.939 954 HG22 THR 124 HG22 THR 124 123.694 -1.004 6.800 955 HG23 THR 124 HG23 THR 124 122.786 -2.039 5.700 956 H VAL 125 HN VAL 125 121.130 1.156 8.509 957 HA VAL 125 HA VAL 125 122.847 2.514 6.492 958 HB VAL 125 HB VAL 125 121.566 4.514 6.526 959 HG11 VAL 125 HG11 VAL 125 120.546 2.371 5.389 960 HG12 VAL 125 HG12 VAL 125 119.580 3.843 5.506 961 HG13 VAL 125 HG13 VAL 125 119.322 2.523 6.648 962 HG21 VAL 125 HG21 VAL 125 120.286 3.270 8.952 963 HG22 VAL 125 HG22 VAL 125 119.455 4.548 8.064 964 HG23 VAL 125 HG23 VAL 125 121.031 4.860 8.791 965 H GLU 126 HN GLU 126 124.188 4.216 7.512 966 HA GLU 126 HA GLU 126 124.264 4.033 10.500 967 HB2 GLU 126 HB2 GLU 126 125.994 2.540 9.527 968 HB3 GLU 126 HB1 GLU 126 126.672 3.917 8.658 969 HG2 GLU 126 HG2 GLU 126 127.130 5.062 10.779 970 HG3 GLU 126 HG1 GLU 126 126.400 3.727 11.672 971 H ALA 127 HN ALA 127 125.262 5.881 11.534 972 HA ALA 127 HA ALA 127 126.133 8.176 9.985 973 HB1 ALA 127 HB1 ALA 127 123.803 8.517 9.535 974 HB2 ALA 127 HB2 ALA 127 124.231 9.654 10.813 975 HB3 ALA 127 HB3 ALA 127 123.363 8.171 11.207 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 117.622 15.301 -5.128 2 H2 GLU 1 HT2 GLU 1 117.706 13.726 -5.760 3 H3 GLU 1 HT3 GLU 1 117.724 13.973 -4.078 4 HA GLU 1 HA GLU 1 115.462 14.906 -4.217 5 HB2 GLU 1 HB2 GLU 1 115.608 15.581 -6.597 6 HB3 GLU 1 HB1 GLU 1 115.657 13.881 -7.065 7 HG2 GLU 1 HG2 GLU 1 113.446 13.520 -6.054 8 HG3 GLU 1 HG1 GLU 1 113.395 15.206 -5.540 9 H LYS 2 HN LYS 2 117.174 12.044 -5.190 10 HA LYS 2 HA LYS 2 114.894 10.265 -4.677 11 HB2 LYS 2 HB2 LYS 2 117.828 9.732 -5.234 12 HB3 LYS 2 HB1 LYS 2 116.624 8.462 -5.000 13 HG2 LYS 2 HG2 LYS 2 115.315 9.345 -6.896 14 HG3 LYS 2 HG1 LYS 2 116.510 10.620 -7.130 15 HD2 LYS 2 HD2 LYS 2 118.238 8.963 -7.621 16 HD3 LYS 2 HD1 LYS 2 117.107 7.650 -7.290 17 HE2 LYS 2 HE2 LYS 2 117.091 7.861 -9.652 18 HE3 LYS 2 HE1 LYS 2 115.629 8.695 -9.124 19 HZ1 LYS 2 HZ1 LYS 2 118.226 10.029 -9.664 20 HZ2 LYS 2 HZ2 LYS 2 116.754 10.789 -9.286 21 HZ3 LYS 2 HZ3 LYS 2 116.934 9.963 -10.760 22 H VAL 3 HN VAL 3 114.733 8.880 -2.857 23 HA VAL 3 HA VAL 3 115.904 9.953 -0.405 24 HB VAL 3 HB VAL 3 114.062 7.611 -0.947 25 HG11 VAL 3 HG11 VAL 3 113.713 7.862 1.616 26 HG12 VAL 3 HG12 VAL 3 115.275 8.677 1.601 27 HG13 VAL 3 HG13 VAL 3 115.147 7.005 1.057 28 HG21 VAL 3 HG21 VAL 3 113.414 10.147 0.546 29 HG22 VAL 3 HG22 VAL 3 112.318 9.035 -0.275 30 HG23 VAL 3 HG23 VAL 3 113.349 10.112 -1.216 31 H LYS 4 HN LYS 4 117.622 9.098 0.712 32 HA LYS 4 HA LYS 4 119.240 7.050 -0.566 33 HB2 LYS 4 HB2 LYS 4 119.456 8.202 2.236 34 HB3 LYS 4 HB1 LYS 4 120.694 7.256 1.412 35 HG2 LYS 4 HG2 LYS 4 119.613 9.916 0.437 36 HG3 LYS 4 HG1 LYS 4 121.143 9.699 1.285 37 HD2 LYS 4 HD2 LYS 4 121.706 7.991 -0.582 38 HD3 LYS 4 HD1 LYS 4 120.372 8.732 -1.465 39 HE2 LYS 4 HE2 LYS 4 121.428 10.932 -1.269 40 HE3 LYS 4 HE1 LYS 4 122.757 10.225 -0.350 41 HZ1 LYS 4 HZ1 LYS 4 122.286 8.830 -2.793 42 HZ2 LYS 4 HZ2 LYS 4 123.723 9.521 -2.205 43 HZ3 LYS 4 HZ3 LYS 4 122.613 10.472 -3.072 44 H GLY 5 HN GLY 5 119.123 4.881 -0.267 45 HA2 GLY 5 HA2 GLY 5 118.562 3.518 2.091 46 HA3 GLY 5 HA1 GLY 5 116.990 3.791 1.355 47 H CYS 6 HN CYS 6 116.747 1.480 1.022 48 HA CYS 6 HA CYS 6 118.294 0.517 -1.352 49 HB2 CYS 6 HB2 CYS 6 118.912 -0.459 1.004 50 HB3 CYS 6 HB1 CYS 6 117.425 -1.379 0.805 51 H ASP 7 HN ASP 7 116.981 -0.259 -2.935 52 HA ASP 7 HA ASP 7 114.101 -0.723 -2.254 53 HB2 ASP 7 HB2 ASP 7 114.761 1.091 -3.952 54 HB3 ASP 7 HB1 ASP 7 115.222 -0.240 -5.014 55 H PHE 8 HN PHE 8 113.806 -2.897 -1.971 56 HA PHE 8 HA PHE 8 115.399 -4.816 -3.560 57 HB2 PHE 8 HB2 PHE 8 113.280 -5.271 -1.435 58 HB3 PHE 8 HB1 PHE 8 114.287 -6.525 -2.156 59 HD1 PHE 8 HD2 PHE 8 116.832 -6.312 -1.914 60 HD2 PHE 8 HD1 PHE 8 114.045 -4.002 0.396 61 HE1 PHE 8 HE2 PHE 8 118.608 -5.832 -0.252 62 HE2 PHE 8 HE1 PHE 8 115.821 -3.520 2.059 63 HZ PHE 8 HZ PHE 8 118.103 -4.436 1.734 64 H THR 9 HN THR 9 112.747 -3.013 -4.166 65 HA THR 9 HA THR 9 111.194 -5.179 -5.475 66 HB THR 9 HB THR 9 110.554 -2.241 -5.064 67 HG1 THR 9 HG1 THR 9 110.617 -3.503 -3.154 68 HG21 THR 9 HG21 THR 9 109.318 -2.983 -6.951 69 HG22 THR 9 HG22 THR 9 108.204 -3.119 -5.591 70 HG23 THR 9 HG23 THR 9 109.004 -4.558 -6.223 71 H THR 10 HN THR 10 113.391 -2.592 -6.245 72 HA THR 10 HA THR 10 113.228 -3.337 -9.082 73 HB THR 10 HB THR 10 112.648 -0.479 -8.259 74 HG1 THR 10 HG1 THR 10 111.034 -2.672 -8.843 75 HG21 THR 10 HG21 THR 10 111.942 -0.484 -10.767 76 HG22 THR 10 HG22 THR 10 112.948 -1.929 -10.878 77 HG23 THR 10 HG23 THR 10 113.658 -0.396 -10.374 78 H SER 11 HN SER 11 115.280 -3.283 -9.894 79 HA SER 11 HA SER 11 117.482 -2.332 -8.333 80 HB2 SER 11 HB2 SER 11 118.815 -2.734 -10.381 81 HB3 SER 11 HB1 SER 11 117.737 -4.083 -10.040 82 HG SER 11 HG SER 11 117.573 -3.511 -12.211 83 H GLU 12 HN GLU 12 115.409 -0.836 -10.699 84 HA GLU 12 HA GLU 12 117.073 1.654 -10.569 85 HB2 GLU 12 HB2 GLU 12 115.129 0.668 -12.680 86 HB3 GLU 12 HB1 GLU 12 115.837 2.283 -12.676 87 HG2 GLU 12 HG2 GLU 12 118.087 1.334 -12.807 88 HG3 GLU 12 HG1 GLU 12 117.427 -0.300 -12.716 89 H SER 13 HN SER 13 115.890 1.910 -8.422 90 HA SER 13 HA SER 13 113.043 2.316 -8.398 91 HB2 SER 13 HB2 SER 13 115.046 3.524 -6.480 92 HB3 SER 13 HB1 SER 13 113.354 3.143 -6.170 93 HG SER 13 HG SER 13 115.308 1.612 -5.635 94 H THR 14 HN THR 14 111.883 4.284 -8.304 95 HA THR 14 HA THR 14 113.251 6.556 -9.672 96 HB THR 14 HB THR 14 111.294 5.993 -10.876 97 HG1 THR 14 HG1 THR 14 110.791 8.029 -8.990 98 HG21 THR 14 HG21 THR 14 110.085 5.562 -8.146 99 HG22 THR 14 HG22 THR 14 110.251 4.402 -9.463 100 HG23 THR 14 HG23 THR 14 109.081 5.716 -9.588 101 H ILE 15 HN ILE 15 112.554 5.527 -6.634 102 HA ILE 15 HA ILE 15 112.291 8.325 -5.611 103 HB ILE 15 HB ILE 15 111.143 7.143 -3.604 104 HG12 ILE 15 HG12 ILE 15 110.498 5.135 -5.770 105 HG13 ILE 15 HG11 ILE 15 111.766 4.856 -4.579 106 HG21 ILE 15 HG21 ILE 15 109.950 7.622 -6.333 107 HG22 ILE 15 HG22 ILE 15 109.830 8.626 -4.888 108 HG23 ILE 15 HG23 ILE 15 108.942 7.105 -4.981 109 HD11 ILE 15 HD11 ILE 15 108.847 5.405 -3.968 110 HD12 ILE 15 HD12 ILE 15 110.114 5.174 -2.763 111 HD13 ILE 15 HD13 ILE 15 109.656 3.845 -3.826 112 H PHE 16 HN PHE 16 114.157 5.484 -5.663 113 HA PHE 16 HA PHE 16 115.651 6.420 -3.238 114 HB2 PHE 16 HB2 PHE 16 115.205 3.576 -4.184 115 HB3 PHE 16 HB1 PHE 16 116.285 4.036 -2.869 116 HD1 PHE 16 HD2 PHE 16 115.221 5.508 -0.966 117 HD2 PHE 16 HD1 PHE 16 112.964 3.106 -3.718 118 HE1 PHE 16 HE2 PHE 16 113.300 5.514 0.602 119 HE2 PHE 16 HE1 PHE 16 111.045 3.124 -2.158 120 HZ PHE 16 HZ PHE 16 111.211 4.318 0.007 121 H SER 17 HN SER 17 117.846 6.569 -3.429 122 HA SER 17 HA SER 17 118.969 6.758 -6.067 123 HB2 SER 17 HB2 SER 17 119.763 8.113 -4.155 124 HB3 SER 17 HB1 SER 17 120.392 6.653 -3.397 125 HG SER 17 HG SER 17 122.008 6.642 -4.764 126 H LYS 18 HN LYS 18 118.718 4.102 -3.839 127 HA LYS 18 HA LYS 18 120.455 2.494 -5.676 128 HB2 LYS 18 HB2 LYS 18 121.488 3.145 -3.382 129 HB3 LYS 18 HB1 LYS 18 120.369 1.955 -2.717 130 HG2 LYS 18 HG2 LYS 18 121.293 0.219 -4.163 131 HG3 LYS 18 HG1 LYS 18 122.344 1.397 -4.949 132 HD2 LYS 18 HD2 LYS 18 123.476 1.829 -2.797 133 HD3 LYS 18 HD1 LYS 18 122.430 0.643 -2.013 134 HE2 LYS 18 HE2 LYS 18 123.305 -1.124 -3.484 135 HE3 LYS 18 HE1 LYS 18 124.336 0.054 -4.299 136 HZ1 LYS 18 HZ1 LYS 18 125.148 0.525 -1.896 137 HZ2 LYS 18 HZ2 LYS 18 125.757 -0.814 -2.745 138 HZ3 LYS 18 HZ3 LYS 18 124.545 -1.028 -1.574 139 H GLY 19 HN GLY 19 119.737 0.434 -6.121 140 HA2 GLY 19 HA2 GLY 19 117.499 -0.719 -4.594 141 HA3 GLY 19 HA1 GLY 19 117.121 -0.276 -6.259 142 H TYR 20 HN TYR 20 116.908 -2.915 -5.603 143 HA TYR 20 HA TYR 20 119.276 -4.127 -6.975 144 HB2 TYR 20 HB2 TYR 20 117.744 -5.123 -4.568 145 HB3 TYR 20 HB1 TYR 20 118.695 -6.210 -5.579 146 HD1 TYR 20 HD1 TYR 20 118.965 -2.965 -3.721 147 HD2 TYR 20 HD2 TYR 20 120.983 -6.467 -5.171 148 HE1 TYR 20 HE1 TYR 20 121.026 -2.273 -2.531 149 HE2 TYR 20 HE2 TYR 20 123.044 -5.775 -3.978 150 HH TYR 20 HH TYR 20 123.085 -2.875 -1.918 151 H SER 21 HN SER 21 118.733 -6.114 -8.162 152 HA SER 21 HA SER 21 116.043 -5.907 -9.385 153 HB2 SER 21 HB2 SER 21 117.723 -6.129 -11.033 154 HB3 SER 21 HB1 SER 21 118.588 -7.351 -10.111 155 HG SER 21 HG SER 21 116.234 -7.560 -11.630 156 H ILE 22 HN ILE 22 114.567 -7.692 -9.418 157 HA ILE 22 HA ILE 22 114.415 -9.240 -7.051 158 HB ILE 22 HB ILE 22 112.669 -10.535 -8.218 159 HG12 ILE 22 HG12 ILE 22 113.521 -8.950 -10.663 160 HG13 ILE 22 HG11 ILE 22 113.851 -10.665 -10.413 161 HG21 ILE 22 HG21 ILE 22 112.652 -7.553 -8.767 162 HG22 ILE 22 HG22 ILE 22 112.072 -8.354 -7.307 163 HG23 ILE 22 HG23 ILE 22 111.230 -8.593 -8.838 164 HD11 ILE 22 HD11 ILE 22 111.141 -9.342 -10.667 165 HD12 ILE 22 HD12 ILE 22 111.361 -11.013 -10.146 166 HD13 ILE 22 HD13 ILE 22 111.864 -10.519 -11.763 167 H ASN 23 HN ASN 23 115.899 -9.932 -10.169 168 HA ASN 23 HA ASN 23 116.343 -12.734 -9.733 169 HB2 ASN 23 HB2 ASN 23 116.542 -11.718 -11.961 170 HB3 ASN 23 HB1 ASN 23 117.928 -10.773 -11.416 171 HD21 ASN 23 HD21 ASN 23 118.189 -12.631 -13.574 172 HD22 ASN 23 HD22 ASN 23 119.177 -13.914 -13.065 173 H GLU 24 HN GLU 24 118.213 -9.852 -8.924 174 HA GLU 24 HA GLU 24 120.576 -11.234 -8.054 175 HB2 GLU 24 HB2 GLU 24 119.463 -8.514 -7.329 176 HB3 GLU 24 HB1 GLU 24 121.047 -9.091 -6.812 177 HG2 GLU 24 HG2 GLU 24 120.154 -8.923 -9.702 178 HG3 GLU 24 HG1 GLU 24 121.145 -7.705 -8.897 179 H ILE 25 HN ILE 25 117.661 -10.158 -6.294 180 HA ILE 25 HA ILE 25 118.733 -11.215 -3.773 181 HB ILE 25 HB ILE 25 116.399 -10.653 -2.930 182 HG12 ILE 25 HG12 ILE 25 116.155 -9.341 -5.643 183 HG13 ILE 25 HG11 ILE 25 115.366 -10.866 -5.239 184 HG21 ILE 25 HG21 ILE 25 118.192 -8.608 -4.246 185 HG22 ILE 25 HG22 ILE 25 118.105 -9.046 -2.539 186 HG23 ILE 25 HG23 ILE 25 116.790 -8.138 -3.285 187 HD11 ILE 25 HD11 ILE 25 113.769 -9.081 -4.860 188 HD12 ILE 25 HD12 ILE 25 114.939 -8.180 -3.896 189 HD13 ILE 25 HD13 ILE 25 114.278 -9.697 -3.288 190 H SER 26 HN SER 26 117.013 -12.464 -6.458 191 HA SER 26 HA SER 26 115.789 -14.656 -4.900 192 HB2 SER 26 HB2 SER 26 114.744 -15.313 -6.940 193 HB3 SER 26 HB1 SER 26 114.700 -13.553 -6.938 194 HG SER 26 HG SER 26 115.458 -14.338 -8.925 195 H ASN 27 HN ASN 27 117.706 -14.761 -7.908 196 HA ASN 27 HA ASN 27 118.705 -17.307 -7.812 197 HB2 ASN 27 HB2 ASN 27 120.752 -16.499 -8.925 198 HB3 ASN 27 HB1 ASN 27 119.332 -15.666 -9.559 199 HD21 ASN 27 HD21 ASN 27 121.746 -14.347 -9.878 200 HD22 ASN 27 HD22 ASN 27 121.858 -13.041 -8.800 201 H LYS 28 HN LYS 28 118.950 -18.079 -5.680 202 HA LYS 28 HA LYS 28 120.936 -16.760 -3.925 203 HB2 LYS 28 HB2 LYS 28 120.232 -18.500 -2.278 204 HB3 LYS 28 HB1 LYS 28 118.876 -17.547 -2.881 205 HG2 LYS 28 HG2 LYS 28 118.392 -19.332 -4.543 206 HG3 LYS 28 HG1 LYS 28 119.697 -20.299 -3.857 207 HD2 LYS 28 HD2 LYS 28 118.554 -20.297 -1.670 208 HD3 LYS 28 HD1 LYS 28 117.249 -19.328 -2.354 209 HE2 LYS 28 HE2 LYS 28 116.764 -21.130 -3.975 210 HE3 LYS 28 HE1 LYS 28 118.059 -22.101 -3.276 211 HZ1 LYS 28 HZ1 LYS 28 115.586 -22.356 -2.486 212 HZ2 LYS 28 HZ2 LYS 28 115.999 -21.049 -1.482 213 HZ3 LYS 28 HZ3 LYS 28 116.875 -22.502 -1.393 214 H SER 29 HN SER 29 122.200 -17.671 -6.172 215 HA SER 29 HA SER 29 124.002 -19.694 -5.046 216 HB2 SER 29 HB2 SER 29 122.568 -20.256 -7.660 217 HB3 SER 29 HB1 SER 29 123.770 -21.283 -6.882 218 HG SER 29 HG SER 29 121.098 -20.805 -6.229 219 H SER 30 HN SER 30 123.804 -16.853 -6.272 220 HA SER 30 HA SER 30 125.497 -16.973 -8.643 221 HB2 SER 30 HB2 SER 30 123.990 -15.080 -8.332 222 HB3 SER 30 HB1 SER 30 124.765 -14.677 -6.802 223 HG SER 30 HG SER 30 125.975 -14.691 -9.375 224 H ASN 31 HN ASN 31 126.576 -14.665 -6.326 225 HA ASN 31 HA ASN 31 129.097 -16.249 -5.967 226 HB2 ASN 31 HB2 ASN 31 128.589 -13.259 -5.972 227 HB3 ASN 31 HB1 ASN 31 130.130 -13.988 -5.522 228 HD21 ASN 31 HD21 ASN 31 129.810 -12.252 -7.830 229 HD22 ASN 31 HD22 ASN 31 130.119 -13.182 -9.216 230 H ASN 32 HN ASN 32 127.325 -13.649 -4.241 231 HA ASN 32 HA ASN 32 128.197 -14.860 -1.677 232 HB2 ASN 32 HB2 ASN 32 128.404 -12.388 -2.051 233 HB3 ASN 32 HB1 ASN 32 126.645 -12.298 -2.147 234 HD21 ASN 32 HD21 ASN 32 126.248 -11.162 -0.175 235 HD22 ASN 32 HD22 ASN 32 126.648 -11.786 1.351 236 H GLN 33 HN GLN 33 126.866 -16.534 -1.086 237 HA GLN 33 HA GLN 33 123.923 -16.189 -1.460 238 HB2 GLN 33 HB2 GLN 33 123.985 -18.707 -0.788 239 HB3 GLN 33 HB1 GLN 33 124.537 -18.252 -2.401 240 HG2 GLN 33 HG2 GLN 33 126.454 -18.430 -0.076 241 HG3 GLN 33 HG1 GLN 33 126.047 -19.847 -1.045 242 HE21 GLN 33 HE21 GLN 33 128.525 -17.840 -0.813 243 HE22 GLN 33 HE22 GLN 33 128.929 -17.599 -2.443 244 H GLN 34 HN GLN 34 123.803 -14.723 0.413 245 HA GLN 34 HA GLN 34 123.300 -16.189 2.880 246 HB2 GLN 34 HB2 GLN 34 124.891 -14.928 4.265 247 HB3 GLN 34 HB1 GLN 34 125.749 -15.847 3.028 248 HG2 GLN 34 HG2 GLN 34 125.848 -13.817 1.607 249 HG3 GLN 34 HG1 GLN 34 125.036 -12.902 2.878 250 HE21 GLN 34 HE21 GLN 34 127.233 -11.644 2.669 251 HE22 GLN 34 HE22 GLN 34 128.503 -12.184 3.656 252 H ASP 35 HN ASP 35 123.288 -13.982 4.630 253 HA ASP 35 HA ASP 35 120.808 -12.759 3.999 254 HB2 ASP 35 HB2 ASP 35 122.873 -11.455 5.772 255 HB3 ASP 35 HB1 ASP 35 121.120 -11.466 5.957 256 H ILE 36 HN ILE 36 120.291 -10.814 2.960 257 HA ILE 36 HA ILE 36 122.549 -9.520 1.503 258 HB ILE 36 HB ILE 36 119.558 -9.129 1.169 259 HG12 ILE 36 HG12 ILE 36 120.136 -11.434 0.641 260 HG13 ILE 36 HG11 ILE 36 119.883 -10.560 -0.869 261 HG21 ILE 36 HG21 ILE 36 120.153 -8.051 -0.919 262 HG22 ILE 36 HG22 ILE 36 121.854 -8.450 -0.687 263 HG23 ILE 36 HG23 ILE 36 121.070 -7.283 0.378 264 HD11 ILE 36 HD11 ILE 36 122.474 -10.120 -0.724 265 HD12 ILE 36 HD12 ILE 36 121.888 -11.677 -1.304 266 HD13 ILE 36 HD13 ILE 36 122.455 -11.511 0.357 267 H VAL 37 HN VAL 37 123.351 -7.647 2.322 268 HA VAL 37 HA VAL 37 121.583 -6.045 4.137 269 HB VAL 37 HB VAL 37 124.566 -6.522 4.211 270 HG11 VAL 37 HG11 VAL 37 124.415 -4.234 4.730 271 HG12 VAL 37 HG12 VAL 37 124.302 -5.001 6.315 272 HG13 VAL 37 HG13 VAL 37 122.844 -4.420 5.510 273 HG21 VAL 37 HG21 VAL 37 122.723 -8.090 5.271 274 HG22 VAL 37 HG22 VAL 37 122.636 -6.822 6.495 275 HG23 VAL 37 HG23 VAL 37 124.157 -7.665 6.205 276 H CYS 38 HN CYS 38 121.247 -3.951 3.588 277 HA CYS 38 HA CYS 38 122.804 -2.876 1.276 278 HB2 CYS 38 HB2 CYS 38 120.167 -2.024 2.513 279 HB3 CYS 38 HB1 CYS 38 120.987 -1.154 1.215 280 H THR 39 HN THR 39 124.641 -1.931 2.206 281 HA THR 39 HA THR 39 124.314 -0.353 4.681 282 HB THR 39 HB THR 39 126.786 -0.994 3.038 283 HG1 THR 39 HG1 THR 39 125.461 -2.645 4.333 284 HG21 THR 39 HG21 THR 39 127.113 1.031 4.334 285 HG22 THR 39 HG22 THR 39 127.973 -0.287 5.129 286 HG23 THR 39 HG23 THR 39 126.426 0.269 5.767 287 H VAL 40 HN VAL 40 123.845 1.752 4.539 288 HA VAL 40 HA VAL 40 125.060 3.346 2.328 289 HB VAL 40 HB VAL 40 122.835 4.568 2.114 290 HG11 VAL 40 HG11 VAL 40 123.687 2.882 0.466 291 HG12 VAL 40 HG12 VAL 40 121.927 2.931 0.559 292 HG13 VAL 40 HG13 VAL 40 122.815 1.631 1.353 293 HG21 VAL 40 HG21 VAL 40 121.901 2.095 3.605 294 HG22 VAL 40 HG22 VAL 40 120.839 3.262 2.816 295 HG23 VAL 40 HG23 VAL 40 121.820 3.756 4.195 296 H LYS 41 HN LYS 41 125.643 5.428 2.976 297 HA LYS 41 HA LYS 41 125.503 5.929 5.876 298 HB2 LYS 41 HB2 LYS 41 127.617 6.323 4.630 299 HB3 LYS 41 HB1 LYS 41 126.803 7.563 3.674 300 HG2 LYS 41 HG2 LYS 41 126.344 8.861 5.705 301 HG3 LYS 41 HG1 LYS 41 127.100 7.610 6.692 302 HD2 LYS 41 HD2 LYS 41 129.239 7.970 5.511 303 HD3 LYS 41 HD1 LYS 41 128.485 9.234 4.537 304 HE2 LYS 41 HE2 LYS 41 129.707 10.238 6.412 305 HE3 LYS 41 HE1 LYS 41 127.975 10.501 6.611 306 HZ1 LYS 41 HZ1 LYS 41 127.951 9.296 8.462 307 HZ2 LYS 41 HZ2 LYS 41 129.648 9.375 8.443 308 HZ3 LYS 41 HZ3 LYS 41 128.850 8.036 7.768 309 H ALA 42 HN ALA 42 124.059 7.309 6.803 310 HA ALA 42 HA ALA 42 122.256 8.829 4.991 311 HB1 ALA 42 HB1 ALA 42 121.534 7.226 6.966 312 HB2 ALA 42 HB2 ALA 42 120.653 8.723 6.667 313 HB3 ALA 42 HB3 ALA 42 121.851 8.650 7.958 314 H HIS 43 HN HIS 43 121.703 11.074 5.602 315 HA HIS 43 HA HIS 43 123.820 12.434 7.213 316 HB2 HIS 43 HB2 HIS 43 124.154 12.541 4.640 317 HB3 HIS 43 HB1 HIS 43 122.763 13.625 4.648 318 HD1 HIS 43 HD1 HIS 43 126.267 13.332 6.061 319 HD2 HIS 43 HD2 HIS 43 123.298 16.216 5.558 320 HE1 HIS 43 HE1 HIS 43 127.313 15.556 6.681 321 HE2 HIS 43 HE2 HIS 43 125.514 17.318 6.376 322 H ALA 44 HN ALA 44 123.135 14.450 8.120 323 HA ALA 44 HA ALA 44 120.517 14.513 9.165 324 HB1 ALA 44 HB1 ALA 44 122.749 15.932 9.674 325 HB2 ALA 44 HB2 ALA 44 121.156 16.468 10.204 326 HB3 ALA 44 HB3 ALA 44 121.870 17.140 8.738 327 H ASN 45 HN ASN 45 121.706 15.680 6.097 328 HA ASN 45 HA ASN 45 119.120 17.056 5.574 329 HB2 ASN 45 HB2 ASN 45 121.750 16.994 4.072 330 HB3 ASN 45 HB1 ASN 45 120.300 17.785 3.458 331 HD21 ASN 45 HD21 ASN 45 122.695 19.263 4.077 332 HD22 ASN 45 HD22 ASN 45 122.359 20.280 5.394 333 H ASP 46 HN ASP 46 120.978 14.232 4.689 334 HA ASP 46 HA ASP 46 119.533 13.596 2.275 335 HB2 ASP 46 HB2 ASP 46 121.259 12.009 4.168 336 HB3 ASP 46 HB1 ASP 46 120.441 11.234 2.816 337 H LEU 47 HN LEU 47 117.569 12.589 2.036 338 HA LEU 47 HA LEU 47 115.961 12.078 4.419 339 HB2 LEU 47 HB2 LEU 47 115.302 11.339 1.551 340 HB3 LEU 47 HB1 LEU 47 114.170 11.590 2.879 341 HG LEU 47 HG LEU 47 115.892 13.677 1.523 342 HD11 LEU 47 HD11 LEU 47 112.890 13.521 1.895 343 HD12 LEU 47 HD12 LEU 47 113.725 12.958 0.447 344 HD13 LEU 47 HD13 LEU 47 113.782 14.664 0.890 345 HD21 LEU 47 HD21 LEU 47 115.977 14.410 3.732 346 HD22 LEU 47 HD22 LEU 47 114.420 13.688 4.138 347 HD23 LEU 47 HD23 LEU 47 114.483 15.169 3.184 348 H ILE 48 HN ILE 48 115.303 9.996 5.181 349 HA ILE 48 HA ILE 48 116.854 7.716 3.984 350 HB ILE 48 HB ILE 48 116.707 6.723 6.303 351 HG12 ILE 48 HG12 ILE 48 115.911 9.543 7.083 352 HG13 ILE 48 HG11 ILE 48 114.773 8.200 6.994 353 HG21 ILE 48 HG21 ILE 48 118.079 9.422 6.206 354 HG22 ILE 48 HG22 ILE 48 118.705 7.981 5.403 355 HG23 ILE 48 HG23 ILE 48 118.552 8.017 7.160 356 HD11 ILE 48 HD11 ILE 48 117.295 8.035 8.644 357 HD12 ILE 48 HD12 ILE 48 115.856 7.020 8.743 358 HD13 ILE 48 HD13 ILE 48 115.795 8.692 9.298 359 H GLY 49 HN GLY 49 115.733 5.906 3.429 360 HA2 GLY 49 HA2 GLY 49 113.266 5.033 4.548 361 HA3 GLY 49 HA1 GLY 49 112.887 6.015 3.132 362 H PHE 50 HN PHE 50 112.460 3.129 3.414 363 HA PHE 50 HA PHE 50 114.035 2.284 1.037 364 HB2 PHE 50 HB2 PHE 50 114.556 0.111 2.040 365 HB3 PHE 50 HB1 PHE 50 115.221 1.406 3.035 366 HD1 PHE 50 HD2 PHE 50 114.216 1.985 5.196 367 HD2 PHE 50 HD1 PHE 50 112.658 -1.217 2.793 368 HE1 PHE 50 HE2 PHE 50 112.920 1.154 7.142 369 HE2 PHE 50 HE1 PHE 50 111.365 -2.048 4.738 370 HZ PHE 50 HZ PHE 50 111.498 -0.867 6.914 371 H LYS 51 HN LYS 51 113.113 0.063 0.251 372 HA LYS 51 HA LYS 51 110.222 -0.217 0.868 373 HB2 LYS 51 HB2 LYS 51 110.261 1.412 -0.943 374 HB3 LYS 51 HB1 LYS 51 111.290 0.358 -1.911 375 HG2 LYS 51 HG2 LYS 51 109.508 -1.346 -1.955 376 HG3 LYS 51 HG1 LYS 51 108.484 -0.303 -0.967 377 HD2 LYS 51 HD2 LYS 51 108.531 1.422 -2.729 378 HD3 LYS 51 HD1 LYS 51 109.557 0.383 -3.719 379 HE2 LYS 51 HE2 LYS 51 107.387 -0.030 -4.549 380 HE3 LYS 51 HE1 LYS 51 107.675 -1.379 -3.451 381 HZ1 LYS 51 HZ1 LYS 51 105.618 0.479 -3.348 382 HZ2 LYS 51 HZ2 LYS 51 106.621 0.804 -2.016 383 HZ3 LYS 51 HZ3 LYS 51 105.961 -0.747 -2.229 384 H CYS 52 HN CYS 52 109.432 -2.297 0.441 385 HA CYS 52 HA CYS 52 111.410 -4.262 -0.629 386 HB2 CYS 52 HB2 CYS 52 109.422 -4.588 1.649 387 HB3 CYS 52 HB1 CYS 52 110.386 -5.902 0.979 388 HA PRO 53 HA PRO 53 108.371 -5.370 -3.657 389 HB2 PRO 53 HB2 PRO 53 108.406 -8.185 -3.328 390 HB3 PRO 53 HB1 PRO 53 109.418 -7.238 -4.433 391 HG2 PRO 53 HG2 PRO 53 110.052 -8.320 -1.751 392 HG3 PRO 53 HG1 PRO 53 111.104 -8.097 -3.155 393 HD2 PRO 53 HD2 PRO 53 111.238 -6.470 -1.026 394 HD3 PRO 53 HD1 PRO 53 111.473 -5.851 -2.675 395 H SER 54 HN SER 54 106.175 -5.992 -3.827 396 HA SER 54 HA SER 54 104.674 -5.884 -1.357 397 HB2 SER 54 HB2 SER 54 103.944 -6.255 -4.252 398 HB3 SER 54 HB1 SER 54 102.729 -6.439 -2.991 399 HG SER 54 HG SER 54 102.637 -4.330 -3.303 400 H ASN 55 HN ASN 55 106.101 -8.492 -3.062 401 HA ASN 55 HA ASN 55 104.130 -10.463 -2.075 402 HB2 ASN 55 HB2 ASN 55 106.717 -10.818 -3.617 403 HB3 ASN 55 HB1 ASN 55 105.574 -12.108 -3.239 404 HD21 ASN 55 HD21 ASN 55 106.446 -10.318 -5.796 405 HD22 ASN 55 HD22 ASN 55 104.949 -10.104 -6.567 406 H TYR 56 HN TYR 56 106.672 -8.846 -0.737 407 HA TYR 56 HA TYR 56 107.509 -11.173 0.945 408 HB2 TYR 56 HB2 TYR 56 108.878 -8.612 0.185 409 HB3 TYR 56 HB1 TYR 56 109.365 -9.485 1.639 410 HD1 TYR 56 HD1 TYR 56 108.595 -10.144 -1.982 411 HD2 TYR 56 HD2 TYR 56 110.968 -11.161 1.450 412 HE1 TYR 56 HE1 TYR 56 109.920 -11.718 -3.365 413 HE2 TYR 56 HE2 TYR 56 112.290 -12.739 0.067 414 HH TYR 56 HH TYR 56 112.274 -12.721 -3.260 415 H SER 57 HN SER 57 107.905 -10.661 3.303 416 HA SER 57 HA SER 57 105.740 -8.833 4.266 417 HB2 SER 57 HB2 SER 57 105.527 -11.159 5.010 418 HB3 SER 57 HB1 SER 57 107.174 -11.130 5.636 419 HG SER 57 HG SER 57 104.903 -9.691 6.525 420 H VAL 58 HN VAL 58 106.286 -7.100 5.594 421 HA VAL 58 HA VAL 58 109.186 -6.567 5.874 422 HB VAL 58 HB VAL 58 108.613 -4.299 6.228 423 HG11 VAL 58 HG11 VAL 58 108.094 -5.253 3.931 424 HG12 VAL 58 HG12 VAL 58 107.246 -3.760 4.333 425 HG13 VAL 58 HG13 VAL 58 106.402 -5.305 4.424 426 HG21 VAL 58 HG21 VAL 58 106.086 -3.734 6.537 427 HG22 VAL 58 HG22 VAL 58 106.986 -4.333 7.930 428 HG23 VAL 58 HG23 VAL 58 105.931 -5.421 7.027 429 H GLU 59 HN GLU 59 110.206 -7.025 7.706 430 HA GLU 59 HA GLU 59 108.669 -7.000 10.272 431 HB2 GLU 59 HB2 GLU 59 110.680 -8.990 9.235 432 HB3 GLU 59 HB1 GLU 59 110.469 -8.756 10.971 433 HG2 GLU 59 HG2 GLU 59 108.320 -9.612 10.974 434 HG3 GLU 59 HG1 GLU 59 108.016 -9.146 9.299 435 HA PRO 60 HA PRO 60 112.025 -4.070 11.001 436 HB2 PRO 60 HB2 PRO 60 111.271 -3.213 13.463 437 HB3 PRO 60 HB1 PRO 60 110.405 -2.731 11.990 438 HG2 PRO 60 HG2 PRO 60 109.697 -4.797 14.012 439 HG3 PRO 60 HG1 PRO 60 108.654 -3.638 13.170 440 HD2 PRO 60 HD2 PRO 60 108.901 -6.285 12.440 441 HD3 PRO 60 HD1 PRO 60 108.427 -4.987 11.323 442 H HIS 61 HN HIS 61 113.998 -5.015 11.439 443 HA HIS 61 HA HIS 61 114.260 -6.784 13.805 444 HB2 HIS 61 HB2 HIS 61 115.264 -7.261 11.448 445 HB3 HIS 61 HB1 HIS 61 116.496 -6.085 11.907 446 HD1 HIS 61 HD1 HIS 61 117.131 -6.679 14.736 447 HD2 HIS 61 HD2 HIS 61 116.310 -9.749 12.033 448 HE1 HIS 61 HE1 HIS 61 118.161 -8.782 15.705 449 HE2 HIS 61 HE2 HIS 61 117.667 -10.656 14.068 450 H ASP 62 HN ASP 62 114.990 -3.613 12.674 451 HA ASP 62 HA ASP 62 115.722 -2.666 15.294 452 HB2 ASP 62 HB2 ASP 62 117.847 -3.812 14.686 453 HB3 ASP 62 HB1 ASP 62 117.960 -2.796 13.247 454 H CYS 63 HN CYS 63 113.776 -1.864 13.542 455 HA CYS 63 HA CYS 63 114.625 0.262 11.778 456 HB2 CYS 63 HB2 CYS 63 111.909 -0.389 12.962 457 HB3 CYS 63 HB1 CYS 63 112.184 0.829 11.719 458 H PHE 64 HN PHE 64 112.659 2.279 12.640 459 HA PHE 64 HA PHE 64 114.198 3.354 14.965 460 HB2 PHE 64 HB2 PHE 64 113.268 5.595 14.043 461 HB3 PHE 64 HB1 PHE 64 114.619 4.824 13.215 462 HD1 PHE 64 HD2 PHE 64 114.207 3.475 11.141 463 HD2 PHE 64 HD1 PHE 64 111.136 5.844 12.988 464 HE1 PHE 64 HE2 PHE 64 112.872 3.370 9.055 465 HE2 PHE 64 HE1 PHE 64 109.805 5.743 10.896 466 HZ PHE 64 HZ PHE 64 110.670 4.503 8.934 467 H VAL 65 HN VAL 65 110.841 3.436 13.583 468 HA VAL 65 HA VAL 65 109.693 4.701 15.846 469 HB VAL 65 HB VAL 65 108.494 2.684 13.921 470 HG11 VAL 65 HG11 VAL 65 107.313 4.263 16.190 471 HG12 VAL 65 HG12 VAL 65 107.018 2.586 15.733 472 HG13 VAL 65 HG13 VAL 65 106.331 3.896 14.772 473 HG21 VAL 65 HG21 VAL 65 108.986 4.592 12.665 474 HG22 VAL 65 HG22 VAL 65 108.716 5.683 14.024 475 HG23 VAL 65 HG23 VAL 65 107.344 4.935 13.206 476 H SER 66 HN SER 66 110.030 1.225 15.130 477 HA SER 66 HA SER 66 110.347 0.625 17.963 478 HB2 SER 66 HB2 SER 66 107.887 0.775 17.824 479 HB3 SER 66 HB1 SER 66 107.889 -0.379 16.494 480 HG SER 66 HG SER 66 108.312 -1.963 17.855 481 H ALA 67 HN ALA 67 111.700 -1.156 18.068 482 HA ALA 67 HA ALA 67 111.511 -3.379 16.246 483 HB1 ALA 67 HB1 ALA 67 112.438 -1.634 14.718 484 HB2 ALA 67 HB2 ALA 67 113.510 -3.011 14.919 485 HB3 ALA 67 HB3 ALA 67 113.839 -1.501 15.772 486 H PHE 68 HN PHE 68 113.783 -4.586 16.329 487 HA PHE 68 HA PHE 68 114.419 -4.834 19.216 488 HB2 PHE 68 HB2 PHE 68 115.487 -6.572 16.978 489 HB3 PHE 68 HB1 PHE 68 115.350 -6.968 18.690 490 HD1 PHE 68 HD1 PHE 68 113.277 -6.062 15.715 491 HD2 PHE 68 HD2 PHE 68 113.438 -8.092 19.494 492 HE1 PHE 68 HE1 PHE 68 111.025 -7.009 15.300 493 HE2 PHE 68 HE2 PHE 68 111.179 -9.035 19.077 494 HZ PHE 68 HZ PHE 68 109.976 -8.486 16.967 495 H ASN 69 HN ASN 69 116.266 -3.914 20.022 496 HA ASN 69 HA ASN 69 118.069 -2.468 18.290 497 HB2 ASN 69 HB2 ASN 69 118.201 -3.186 21.229 498 HB3 ASN 69 HB1 ASN 69 119.413 -2.190 20.423 499 HD21 ASN 69 HD21 ASN 69 117.758 -1.140 22.527 500 HD22 ASN 69 HD22 ASN 69 116.734 0.036 21.858 501 H LEU 70 HN LEU 70 120.601 -2.922 19.019 502 HA LEU 70 HA LEU 70 121.316 -5.312 17.609 503 HB2 LEU 70 HB2 LEU 70 122.836 -3.334 19.299 504 HB3 LEU 70 HB1 LEU 70 123.625 -4.803 18.725 505 HG LEU 70 HG LEU 70 122.980 -4.218 16.397 506 HD11 LEU 70 HD11 LEU 70 121.750 -1.876 17.834 507 HD12 LEU 70 HD12 LEU 70 121.045 -2.901 16.586 508 HD13 LEU 70 HD13 LEU 70 122.279 -1.717 16.160 509 HD21 LEU 70 HD21 LEU 70 124.408 -1.918 17.766 510 HD22 LEU 70 HD22 LEU 70 124.620 -2.466 16.103 511 HD23 LEU 70 HD23 LEU 70 125.166 -3.477 17.442 512 H SER 71 HN SER 71 120.502 -4.699 20.911 513 HA SER 71 HA SER 71 121.811 -7.119 21.942 514 HB2 SER 71 HB2 SER 71 119.754 -5.287 23.210 515 HB3 SER 71 HB1 SER 71 120.663 -6.543 24.048 516 HG SER 71 HG SER 71 121.471 -4.056 23.082 517 H GLY 72 HN GLY 72 119.044 -6.434 20.174 518 HA2 GLY 72 HA2 GLY 72 117.430 -7.992 19.392 519 HA3 GLY 72 HA1 GLY 72 118.008 -9.146 20.595 520 H LYS 73 HN LYS 73 117.352 -5.984 21.770 521 HA LYS 73 HA LYS 73 114.876 -7.019 23.082 522 HB2 LYS 73 HB2 LYS 73 116.919 -4.930 23.843 523 HB3 LYS 73 HB1 LYS 73 115.321 -4.935 24.584 524 HG2 LYS 73 HG2 LYS 73 116.438 -6.291 26.091 525 HG3 LYS 73 HG1 LYS 73 115.900 -7.527 24.957 526 HD2 LYS 73 HD2 LYS 73 118.073 -7.354 23.769 527 HD3 LYS 73 HD1 LYS 73 118.602 -6.160 24.954 528 HE2 LYS 73 HE2 LYS 73 119.464 -8.335 25.610 529 HE3 LYS 73 HE1 LYS 73 118.218 -7.847 26.758 530 HZ1 LYS 73 HZ1 LYS 73 117.939 -9.755 24.504 531 HZ2 LYS 73 HZ2 LYS 73 116.622 -9.156 25.396 532 HZ3 LYS 73 HZ3 LYS 73 117.814 -10.094 26.162 533 H ASN 74 HN ASN 74 112.963 -5.821 22.976 534 HA ASN 74 HA ASN 74 112.777 -4.028 20.664 535 HB2 ASN 74 HB2 ASN 74 111.023 -5.725 21.124 536 HB3 ASN 74 HB1 ASN 74 110.623 -4.876 22.619 537 HD21 ASN 74 HD21 ASN 74 108.688 -5.166 20.524 538 HD22 ASN 74 HD22 ASN 74 108.375 -3.631 19.868 539 H GLU 75 HN GLU 75 113.157 -1.886 20.856 540 HA GLU 75 HA GLU 75 112.068 -0.435 23.193 541 HB2 GLU 75 HB2 GLU 75 114.375 -1.074 23.860 542 HB3 GLU 75 HB1 GLU 75 114.998 -0.286 22.411 543 HG2 GLU 75 HG2 GLU 75 114.078 1.870 23.172 544 HG3 GLU 75 HG1 GLU 75 113.432 1.089 24.616 545 H ASN 76 HN ASN 76 111.332 1.601 22.589 546 HA ASN 76 HA ASN 76 111.183 2.309 19.855 547 HB2 ASN 76 HB2 ASN 76 110.905 3.937 22.392 548 HB3 ASN 76 HB1 ASN 76 110.621 4.629 20.796 549 HD21 ASN 76 HD21 ASN 76 108.376 4.731 20.526 550 HD22 ASN 76 HD22 ASN 76 107.300 3.467 20.881 551 H LEU 77 HN LEU 77 112.433 3.690 18.555 552 HA LEU 77 HA LEU 77 115.165 4.207 19.563 553 HB2 LEU 77 HB2 LEU 77 114.559 3.084 17.280 554 HB3 LEU 77 HB1 LEU 77 114.226 4.733 16.753 555 HG LEU 77 HG LEU 77 116.535 5.375 17.523 556 HD11 LEU 77 HD11 LEU 77 117.288 3.787 19.042 557 HD12 LEU 77 HD12 LEU 77 118.050 3.180 17.576 558 HD13 LEU 77 HD13 LEU 77 116.558 2.445 18.162 559 HD21 LEU 77 HD21 LEU 77 117.646 4.461 15.567 560 HD22 LEU 77 HD22 LEU 77 115.967 4.793 15.146 561 HD23 LEU 77 HD23 LEU 77 116.482 3.139 15.475 562 H GLU 78 HN GLU 78 112.417 5.849 19.757 563 HA GLU 78 HA GLU 78 113.079 8.412 18.585 564 HB2 GLU 78 HB2 GLU 78 111.259 9.298 20.031 565 HB3 GLU 78 HB1 GLU 78 110.762 7.873 19.121 566 HG2 GLU 78 HG2 GLU 78 110.018 7.190 21.182 567 HG3 GLU 78 HG1 GLU 78 111.689 6.651 21.346 568 H ASN 79 HN ASN 79 113.545 7.023 21.829 569 HA ASN 79 HA ASN 79 114.530 9.405 23.071 570 HB2 ASN 79 HB2 ASN 79 114.959 6.464 23.617 571 HB3 ASN 79 HB1 ASN 79 115.739 7.709 24.592 572 HD21 ASN 79 HD21 ASN 79 113.791 5.945 25.734 573 HD22 ASN 79 HD22 ASN 79 112.415 6.855 26.135 574 H LYS 80 HN LYS 80 116.067 6.925 21.110 575 HA LYS 80 HA LYS 80 118.777 7.912 21.510 576 HB2 LYS 80 HB2 LYS 80 118.456 5.608 20.828 577 HB3 LYS 80 HB1 LYS 80 117.584 6.117 19.384 578 HG2 LYS 80 HG2 LYS 80 119.520 6.975 18.359 579 HG3 LYS 80 HG1 LYS 80 120.399 7.066 19.887 580 HD2 LYS 80 HD2 LYS 80 119.454 4.389 18.915 581 HD3 LYS 80 HD1 LYS 80 120.886 5.100 18.181 582 HE2 LYS 80 HE2 LYS 80 121.819 5.416 20.505 583 HE3 LYS 80 HE1 LYS 80 120.452 4.482 21.113 584 HZ1 LYS 80 HZ1 LYS 80 122.667 3.305 20.539 585 HZ2 LYS 80 HZ2 LYS 80 122.104 3.396 18.938 586 HZ3 LYS 80 HZ3 LYS 80 121.197 2.573 20.115 587 H LEU 81 HN LEU 81 116.409 8.199 18.863 588 HA LEU 81 HA LEU 81 117.575 10.826 18.162 589 HB2 LEU 81 HB2 LEU 81 118.795 9.097 16.800 590 HB3 LEU 81 HB1 LEU 81 117.247 8.621 16.102 591 HG LEU 81 HG LEU 81 116.928 10.937 15.268 592 HD11 LEU 81 HD11 LEU 81 119.476 11.319 16.793 593 HD12 LEU 81 HD12 LEU 81 118.107 12.414 16.604 594 HD13 LEU 81 HD13 LEU 81 119.275 12.230 15.297 595 HD21 LEU 81 HD21 LEU 81 118.142 9.099 13.962 596 HD22 LEU 81 HD22 LEU 81 119.645 9.895 14.428 597 HD23 LEU 81 HD23 LEU 81 118.463 10.752 13.439 598 H LYS 82 HN LYS 82 115.828 12.165 17.974 599 HA LYS 82 HA LYS 82 113.158 11.016 17.589 600 HB2 LYS 82 HB2 LYS 82 113.955 13.121 19.031 601 HB3 LYS 82 HB1 LYS 82 113.620 13.973 17.524 602 HG2 LYS 82 HG2 LYS 82 111.668 12.138 18.948 603 HG3 LYS 82 HG1 LYS 82 111.633 13.901 19.019 604 HD2 LYS 82 HD2 LYS 82 111.446 13.915 16.500 605 HD3 LYS 82 HD1 LYS 82 111.253 12.163 16.568 606 HE2 LYS 82 HE2 LYS 82 109.035 12.878 16.589 607 HE3 LYS 82 HE1 LYS 82 109.373 12.708 18.312 608 HZ1 LYS 82 HZ1 LYS 82 108.776 15.060 16.804 609 HZ2 LYS 82 HZ2 LYS 82 110.208 15.232 17.703 610 HZ3 LYS 82 HZ3 LYS 82 108.756 14.821 18.483 611 H LEU 83 HN LEU 83 112.523 10.506 15.560 612 HA LEU 83 HA LEU 83 113.639 11.970 13.249 613 HB2 LEU 83 HB2 LEU 83 111.756 9.597 13.387 614 HB3 LEU 83 HB1 LEU 83 112.447 10.264 11.906 615 HG LEU 83 HG LEU 83 114.060 9.171 14.230 616 HD11 LEU 83 HD11 LEU 83 113.755 7.964 11.478 617 HD12 LEU 83 HD12 LEU 83 112.687 7.521 12.811 618 HD13 LEU 83 HD13 LEU 83 114.421 7.217 12.930 619 HD21 LEU 83 HD21 LEU 83 114.726 10.497 11.620 620 HD22 LEU 83 HD22 LEU 83 115.796 9.227 12.215 621 HD23 LEU 83 HD23 LEU 83 115.509 10.666 13.191 622 H THR 84 HN THR 84 112.180 12.832 11.572 623 HA THR 84 HA THR 84 109.514 13.675 12.677 624 HB THR 84 HB THR 84 109.818 15.867 11.676 625 HG1 THR 84 HG1 THR 84 112.179 14.678 10.685 626 HG21 THR 84 HG21 THR 84 110.896 15.272 13.937 627 HG22 THR 84 HG22 THR 84 111.470 16.734 13.135 628 HG23 THR 84 HG23 THR 84 112.427 15.254 13.063 629 H ASN 85 HN ASN 85 107.924 14.193 10.935 630 HA ASN 85 HA ASN 85 106.786 13.559 8.993 631 HB2 ASN 85 HB2 ASN 85 109.611 13.782 7.949 632 HB3 ASN 85 HB1 ASN 85 108.216 13.525 6.907 633 HD21 ASN 85 HD21 ASN 85 109.734 15.902 6.619 634 HD22 ASN 85 HD22 ASN 85 108.812 17.218 7.165 635 H ILE 86 HN ILE 86 107.105 11.430 10.624 636 HA ILE 86 HA ILE 86 108.487 9.231 9.301 637 HB ILE 86 HB ILE 86 106.526 9.301 11.613 638 HG12 ILE 86 HG12 ILE 86 109.522 8.845 11.614 639 HG13 ILE 86 HG11 ILE 86 108.795 10.433 11.857 640 HG21 ILE 86 HG21 ILE 86 107.686 6.992 12.014 641 HG22 ILE 86 HG22 ILE 86 108.047 7.068 10.290 642 HG23 ILE 86 HG23 ILE 86 106.372 7.093 10.842 643 HD11 ILE 86 HD11 ILE 86 107.611 9.652 13.826 644 HD12 ILE 86 HD12 ILE 86 109.316 9.237 14.001 645 HD13 ILE 86 HD13 ILE 86 108.150 7.998 13.542 646 H ILE 87 HN ILE 87 107.657 7.950 7.737 647 HA ILE 87 HA ILE 87 104.684 7.962 7.303 648 HB ILE 87 HB ILE 87 106.879 7.710 5.222 649 HG12 ILE 87 HG12 ILE 87 106.726 10.001 6.064 650 HG13 ILE 87 HG11 ILE 87 106.035 9.923 4.445 651 HG21 ILE 87 HG21 ILE 87 105.071 6.497 4.365 652 HG22 ILE 87 HG22 ILE 87 104.784 8.113 3.719 653 HG23 ILE 87 HG23 ILE 87 103.879 7.551 5.125 654 HD11 ILE 87 HD11 ILE 87 104.649 10.270 7.080 655 HD12 ILE 87 HD12 ILE 87 103.781 9.482 5.765 656 HD13 ILE 87 HD13 ILE 87 104.387 11.124 5.562 657 H MET 88 HN MET 88 103.842 5.934 7.666 658 HA MET 88 HA MET 88 105.623 3.576 7.148 659 HB2 MET 88 HB2 MET 88 103.435 3.812 9.240 660 HB3 MET 88 HB1 MET 88 104.491 2.422 8.981 661 HG2 MET 88 HG2 MET 88 106.457 3.782 9.547 662 HG3 MET 88 HG1 MET 88 105.432 5.198 9.760 663 HE1 MET 88 HE1 MET 88 106.536 1.841 10.754 664 HE2 MET 88 HE2 MET 88 104.869 1.322 10.991 665 HE3 MET 88 HE3 MET 88 105.929 1.520 12.385 666 H ASP 89 HN ASP 89 104.877 2.880 5.176 667 HA ASP 89 HA ASP 89 101.914 2.494 4.873 668 HB2 ASP 89 HB2 ASP 89 104.103 2.920 2.835 669 HB3 ASP 89 HB1 ASP 89 102.490 2.365 2.392 670 H HIS 90 HN HIS 90 101.642 0.402 5.654 671 HA HIS 90 HA HIS 90 103.557 -1.712 5.195 672 HB2 HIS 90 HB2 HIS 90 100.685 -1.725 6.138 673 HB3 HIS 90 HB1 HIS 90 101.672 -3.183 6.029 674 HD1 HIS 90 HD1 HIS 90 101.457 0.110 7.871 675 HD2 HIS 90 HD2 HIS 90 103.621 -3.452 8.052 676 HE1 HIS 90 HE1 HIS 90 102.757 0.169 10.046 677 HE2 HIS 90 HE2 HIS 90 104.077 -1.994 10.165 678 H TYR 91 HN TYR 91 100.550 -0.736 3.576 679 HA TYR 91 HA TYR 91 100.284 -3.033 1.913 680 HB2 TYR 91 HB2 TYR 91 98.484 -1.399 2.077 681 HB3 TYR 91 HB1 TYR 91 99.508 -0.154 1.360 682 HD1 TYR 91 HD1 TYR 91 97.998 -3.509 0.690 683 HD2 TYR 91 HD2 TYR 91 99.666 0.079 -0.982 684 HE1 TYR 91 HE1 TYR 91 97.329 -4.254 -1.580 685 HE2 TYR 91 HE2 TYR 91 98.998 -0.666 -3.251 686 HH TYR 91 HH TYR 91 96.791 -2.972 -3.851 687 H ASN 92 HN ASN 92 102.019 0.039 1.334 688 HA ASN 92 HA ASN 92 103.124 -1.057 -1.175 689 HB2 ASN 92 HB2 ASN 92 103.388 1.603 0.240 690 HB3 ASN 92 HB1 ASN 92 104.334 1.201 -1.195 691 HD21 ASN 92 HD21 ASN 92 102.370 3.324 -1.173 692 HD22 ASN 92 HD22 ASN 92 101.112 2.879 -2.222 693 H ASN 93 HN ASN 93 103.827 -1.286 2.064 694 HA ASN 93 HA ASN 93 105.743 -1.933 3.257 695 HB2 ASN 93 HB2 ASN 93 106.349 -3.003 0.489 696 HB3 ASN 93 HB1 ASN 93 107.340 -3.364 1.903 697 HD21 ASN 93 HD21 ASN 93 105.871 -5.407 0.471 698 HD22 ASN 93 HD22 ASN 93 104.675 -6.011 1.514 699 H THR 94 HN THR 94 105.858 0.761 2.590 700 HA THR 94 HA THR 94 108.765 1.100 2.010 701 HB THR 94 HB THR 94 107.608 1.818 0.006 702 HG1 THR 94 HG1 THR 94 108.867 3.472 0.024 703 HG21 THR 94 HG21 THR 94 105.394 2.093 1.177 704 HG22 THR 94 HG22 THR 94 105.778 3.380 0.034 705 HG23 THR 94 HG23 THR 94 105.969 3.652 1.766 706 H PHE 95 HN PHE 95 109.805 2.460 3.418 707 HA PHE 95 HA PHE 95 108.095 3.982 5.365 708 HB2 PHE 95 HB2 PHE 95 110.666 2.472 5.934 709 HB3 PHE 95 HB1 PHE 95 109.757 3.428 7.105 710 HD1 PHE 95 HD2 PHE 95 107.584 2.677 7.935 711 HD2 PHE 95 HD1 PHE 95 109.822 0.326 5.132 712 HE1 PHE 95 HE2 PHE 95 106.122 0.729 8.408 713 HE2 PHE 95 HE1 PHE 95 108.364 -1.624 5.601 714 HZ PHE 95 HZ PHE 95 106.513 -1.423 7.240 715 H TYR 96 HN TYR 96 108.764 6.081 5.795 716 HA TYR 96 HA TYR 96 111.425 6.944 4.741 717 HB2 TYR 96 HB2 TYR 96 108.835 8.490 4.380 718 HB3 TYR 96 HB1 TYR 96 110.428 8.970 3.810 719 HD1 TYR 96 HD2 TYR 96 111.478 7.857 1.904 720 HD2 TYR 96 HD1 TYR 96 107.581 6.715 3.281 721 HE1 TYR 96 HE2 TYR 96 111.098 6.621 -0.210 722 HE2 TYR 96 HE1 TYR 96 107.194 5.483 1.167 723 HH TYR 96 HH TYR 96 108.332 5.814 -1.388 724 H SER 97 HN SER 97 112.375 8.628 5.971 725 HA SER 97 HA SER 97 110.817 9.874 8.141 726 HB2 SER 97 HB2 SER 97 113.275 8.187 8.704 727 HB3 SER 97 HB1 SER 97 112.440 9.194 9.882 728 HG SER 97 HG SER 97 111.470 6.915 8.501 729 H ARG 98 HN ARG 98 111.869 11.781 8.962 730 HA ARG 98 HA ARG 98 114.033 12.781 7.172 731 HB2 ARG 98 HB2 ARG 98 111.891 14.113 8.806 732 HB3 ARG 98 HB1 ARG 98 113.342 15.014 8.374 733 HG2 ARG 98 HG2 ARG 98 112.045 13.498 6.158 734 HG3 ARG 98 HG1 ARG 98 111.150 14.884 6.775 735 HD2 ARG 98 HD2 ARG 98 114.075 15.212 6.205 736 HD3 ARG 98 HD1 ARG 98 112.929 15.221 4.861 737 HE ARG 98 HE ARG 98 111.762 16.989 6.556 738 HH11 ARG 98 HH21 ARG 98 115.037 16.571 5.540 739 HH12 ARG 98 HH22 ARG 98 115.366 18.270 5.476 740 HH21 ARG 98 HH11 ARG 98 112.180 19.199 6.472 741 HH22 ARG 98 HH12 ARG 98 113.751 19.756 5.999 742 H LEU 99 HN LEU 99 116.013 13.159 7.956 743 HA LEU 99 HA LEU 99 116.570 12.470 10.760 744 HB2 LEU 99 HB2 LEU 99 118.381 13.268 8.468 745 HB3 LEU 99 HB1 LEU 99 118.962 12.858 10.079 746 HG LEU 99 HG LEU 99 117.305 11.023 8.330 747 HD11 LEU 99 HD11 LEU 99 119.599 9.752 8.412 748 HD12 LEU 99 HD12 LEU 99 120.261 11.350 8.757 749 HD13 LEU 99 HD13 LEU 99 119.379 11.066 7.256 750 HD21 LEU 99 HD21 LEU 99 116.916 10.258 10.503 751 HD22 LEU 99 HD22 LEU 99 118.464 10.858 11.098 752 HD23 LEU 99 HD23 LEU 99 118.402 9.388 10.124 753 HA PRO 100 HA PRO 100 116.398 16.663 12.366 754 HB2 PRO 100 HB2 PRO 100 118.903 15.828 13.782 755 HB3 PRO 100 HB1 PRO 100 117.450 16.606 14.434 756 HG2 PRO 100 HG2 PRO 100 117.944 14.004 14.783 757 HG3 PRO 100 HG1 PRO 100 116.302 14.637 14.594 758 HD2 PRO 100 HD2 PRO 100 117.913 13.036 12.697 759 HD3 PRO 100 HD1 PRO 100 116.153 13.225 12.812 760 H SER 101 HN SER 101 118.253 18.477 12.753 761 HA SER 101 HA SER 101 119.667 18.642 10.169 762 HB2 SER 101 HB2 SER 101 118.361 20.571 11.150 763 HB3 SER 101 HB1 SER 101 119.596 20.685 12.401 764 HG SER 101 HG SER 101 119.746 21.214 9.654 765 H LEU 102 HN LEU 102 120.382 17.879 13.460 766 HA LEU 102 HA LEU 102 123.310 18.012 12.832 767 HB2 LEU 102 HB2 LEU 102 122.587 19.696 14.515 768 HB3 LEU 102 HB1 LEU 102 121.994 18.385 15.535 769 HG LEU 102 HG LEU 102 124.280 17.420 15.591 770 HD11 LEU 102 HD11 LEU 102 126.075 19.218 14.838 771 HD12 LEU 102 HD12 LEU 102 124.787 19.738 13.754 772 HD13 LEU 102 HD13 LEU 102 125.404 18.088 13.665 773 HD21 LEU 102 HD21 LEU 102 125.303 19.262 16.968 774 HD22 LEU 102 HD22 LEU 102 123.629 18.908 17.396 775 HD23 LEU 102 HD23 LEU 102 124.008 20.325 16.418 776 H ILE 103 HN ILE 103 124.358 16.087 12.972 777 HA ILE 103 HA ILE 103 123.426 14.031 14.861 778 HB ILE 103 HB ILE 103 123.526 13.576 11.862 779 HG12 ILE 103 HG12 ILE 103 121.332 13.055 13.896 780 HG13 ILE 103 HG11 ILE 103 121.394 14.460 12.836 781 HG21 ILE 103 HG21 ILE 103 123.831 11.701 14.168 782 HG22 ILE 103 HG22 ILE 103 124.483 11.593 12.534 783 HG23 ILE 103 HG23 ILE 103 122.801 11.166 12.841 784 HD11 ILE 103 HD11 ILE 103 119.989 12.431 12.067 785 HD12 ILE 103 HD12 ILE 103 121.537 11.681 11.694 786 HD13 ILE 103 HD13 ILE 103 121.070 13.181 10.900 787 H SER 104 HN SER 104 125.392 13.963 15.924 788 HA SER 104 HA SER 104 127.845 13.555 14.250 789 HB2 SER 104 HB2 SER 104 129.114 14.467 16.118 790 HB3 SER 104 HB1 SER 104 127.832 15.594 15.685 791 HG SER 104 HG SER 104 127.812 15.315 17.900 792 H ASP 105 HN ASP 105 125.654 11.843 16.010 793 HA ASP 105 HA ASP 105 127.540 10.146 17.481 794 HB2 ASP 105 HB2 ASP 105 125.285 10.541 18.378 795 HB3 ASP 105 HB1 ASP 105 124.577 9.809 16.940 796 H ASN 106 HN ASN 106 127.901 7.910 17.004 797 HA ASN 106 HA ASN 106 127.802 7.306 14.097 798 HB2 ASN 106 HB2 ASN 106 129.289 6.012 16.402 799 HB3 ASN 106 HB1 ASN 106 129.329 5.408 14.746 800 HD21 ASN 106 HD21 ASN 106 131.598 6.541 16.323 801 HD22 ASN 106 HD22 ASN 106 132.164 7.870 15.431 802 H TRP 107 HN TRP 107 125.391 7.163 15.757 803 HA TRP 107 HA TRP 107 124.813 4.493 16.562 804 HB2 TRP 107 HB2 TRP 107 122.471 5.173 16.550 805 HB3 TRP 107 HB1 TRP 107 123.454 6.472 17.222 806 HD1 TRP 107 HD1 TRP 107 124.250 8.360 15.232 807 HE1 TRP 107 HE1 TRP 107 122.766 9.423 13.440 808 HE3 TRP 107 HE3 TRP 107 120.440 4.965 15.133 809 HZ2 TRP 107 HZ2 TRP 107 120.270 8.920 12.133 810 HZ3 TRP 107 HZ3 TRP 107 118.518 5.299 13.612 811 HH2 TRP 107 HH2 TRP 107 118.426 7.263 12.118 812 H LYS 108 HN LYS 108 123.514 2.905 15.525 813 HA LYS 108 HA LYS 108 123.229 3.120 12.571 814 HB2 LYS 108 HB2 LYS 108 125.360 1.973 12.931 815 HB3 LYS 108 HB1 LYS 108 124.599 0.854 14.060 816 HG2 LYS 108 HG2 LYS 108 123.148 0.003 12.248 817 HG3 LYS 108 HG1 LYS 108 123.903 1.123 11.116 818 HD2 LYS 108 HD2 LYS 108 126.093 0.043 11.522 819 HD3 LYS 108 HD1 LYS 108 125.323 -1.080 12.644 820 HE2 LYS 108 HE2 LYS 108 123.873 -1.902 10.824 821 HE3 LYS 108 HE1 LYS 108 124.658 -0.795 9.698 822 HZ1 LYS 108 HZ1 LYS 108 125.546 -3.327 10.673 823 HZ2 LYS 108 HZ2 LYS 108 126.718 -2.118 10.903 824 HZ3 LYS 108 HZ3 LYS 108 126.104 -2.427 9.348 825 H PHE 109 HN PHE 109 121.533 1.745 11.726 826 HA PHE 109 HA PHE 109 120.102 0.008 13.616 827 HB2 PHE 109 HB2 PHE 109 118.013 1.170 13.593 828 HB3 PHE 109 HB1 PHE 109 119.227 2.376 14.004 829 HD1 PHE 109 HD2 PHE 109 120.026 3.992 12.281 830 HD2 PHE 109 HD1 PHE 109 116.790 1.271 11.532 831 HE1 PHE 109 HE2 PHE 109 119.329 5.357 10.331 832 HE2 PHE 109 HE1 PHE 109 116.094 2.633 9.580 833 HZ PHE 109 HZ PHE 109 117.363 4.677 8.980 834 H PHE 110 HN PHE 110 118.336 -1.211 12.416 835 HA PHE 110 HA PHE 110 118.460 -0.973 9.485 836 HB2 PHE 110 HB2 PHE 110 119.083 -3.451 9.314 837 HB3 PHE 110 HB1 PHE 110 120.379 -2.350 9.784 838 HD1 PHE 110 HD2 PHE 110 121.029 -2.155 12.196 839 HD2 PHE 110 HD1 PHE 110 118.263 -5.134 10.809 840 HE1 PHE 110 HE2 PHE 110 121.348 -3.431 14.299 841 HE2 PHE 110 HE1 PHE 110 118.584 -6.409 12.914 842 HZ PHE 110 HZ PHE 110 120.127 -5.558 14.656 843 H CYS 111 HN CYS 111 116.927 -2.341 8.382 844 HA CYS 111 HA CYS 111 114.732 -3.412 10.115 845 HB2 CYS 111 HB2 CYS 111 114.507 -1.907 7.485 846 HB3 CYS 111 HB1 CYS 111 113.163 -2.729 8.275 847 H VAL 112 HN VAL 112 113.601 -5.268 9.099 848 HA VAL 112 HA VAL 112 115.244 -6.575 6.948 849 HB VAL 112 HB VAL 112 114.126 -7.785 9.479 850 HG11 VAL 112 HG11 VAL 112 113.611 -9.461 7.935 851 HG12 VAL 112 HG12 VAL 112 115.264 -9.891 8.377 852 HG13 VAL 112 HG13 VAL 112 114.949 -9.029 6.870 853 HG21 VAL 112 HG21 VAL 112 116.909 -7.781 8.269 854 HG22 VAL 112 HG22 VAL 112 116.456 -8.397 9.858 855 HG23 VAL 112 HG23 VAL 112 116.375 -6.666 9.526 856 H CYS 113 HN CYS 113 114.183 -7.548 5.335 857 HA CYS 113 HA CYS 113 111.198 -7.736 5.460 858 HB2 CYS 113 HB2 CYS 113 113.044 -6.968 3.181 859 HB3 CYS 113 HB1 CYS 113 111.402 -7.539 2.891 860 H SER 114 HN SER 114 110.474 -9.891 5.120 861 HA SER 114 HA SER 114 111.952 -11.722 3.440 862 HB2 SER 114 HB2 SER 114 112.776 -13.229 5.186 863 HB3 SER 114 HB1 SER 114 113.479 -11.626 5.388 864 HG SER 114 HG SER 114 112.361 -12.875 7.248 865 H LYS 115 HN LYS 115 111.226 -14.074 3.994 866 HA LYS 115 HA LYS 115 108.515 -14.289 5.120 867 HB2 LYS 115 HB2 LYS 115 109.147 -14.860 2.213 868 HB3 LYS 115 HB1 LYS 115 107.734 -15.521 3.034 869 HG2 LYS 115 HG2 LYS 115 107.245 -13.046 3.685 870 HG3 LYS 115 HG1 LYS 115 108.368 -12.657 2.382 871 HD2 LYS 115 HD2 LYS 115 105.933 -14.441 2.077 872 HD3 LYS 115 HD1 LYS 115 105.990 -12.744 1.603 873 HE2 LYS 115 HE2 LYS 115 107.911 -13.297 0.082 874 HE3 LYS 115 HE1 LYS 115 107.677 -14.999 0.483 875 HZ1 LYS 115 HZ1 LYS 115 105.270 -13.636 -0.315 876 HZ2 LYS 115 HZ2 LYS 115 105.886 -15.140 -0.812 877 HZ3 LYS 115 HZ3 LYS 115 106.448 -13.708 -1.533 878 H ASP 116 HN ASP 116 107.907 -16.682 5.210 879 HA ASP 116 HA ASP 116 110.049 -18.227 6.262 880 HB2 ASP 116 HB2 ASP 116 107.309 -18.974 5.229 881 HB3 ASP 116 HB1 ASP 116 108.423 -20.188 5.862 882 H ASN 117 HN ASN 117 111.189 -20.043 5.339 883 HA ASN 117 HA ASN 117 112.528 -20.904 3.584 884 HB2 ASN 117 HB2 ASN 117 110.312 -22.136 3.433 885 HB3 ASN 117 HB1 ASN 117 109.862 -21.010 2.152 886 HD21 ASN 117 HD21 ASN 117 110.211 -23.868 1.722 887 HD22 ASN 117 HD22 ASN 117 111.525 -24.065 0.664 888 H GLU 118 HN GLU 118 113.150 -18.381 3.421 889 HA GLU 118 HA GLU 118 113.313 -17.818 0.573 890 HB2 GLU 118 HB2 GLU 118 111.522 -16.162 2.352 891 HB3 GLU 118 HB1 GLU 118 112.282 -15.461 0.926 892 HG2 GLU 118 HG2 GLU 118 111.264 -17.576 -0.294 893 HG3 GLU 118 HG1 GLU 118 110.188 -17.607 1.104 894 H LYS 119 HN LYS 119 115.016 -16.388 0.127 895 HA LYS 119 HA LYS 119 117.045 -16.022 2.057 896 HB2 LYS 119 HB2 LYS 119 116.431 -14.531 -0.506 897 HB3 LYS 119 HB1 LYS 119 117.875 -14.209 0.454 898 HG2 LYS 119 HG2 LYS 119 117.242 -17.045 -0.296 899 HG3 LYS 119 HG1 LYS 119 117.940 -15.978 -1.515 900 HD2 LYS 119 HD2 LYS 119 119.188 -16.070 1.212 901 HD3 LYS 119 HD1 LYS 119 119.518 -17.380 0.079 902 HE2 LYS 119 HE2 LYS 119 120.272 -15.737 -1.604 903 HE3 LYS 119 HE1 LYS 119 119.949 -14.427 -0.470 904 HZ1 LYS 119 HZ1 LYS 119 121.486 -15.865 1.058 905 HZ2 LYS 119 HZ2 LYS 119 122.148 -14.786 -0.076 906 HZ3 LYS 119 HZ3 LYS 119 122.069 -16.447 -0.425 907 H LYS 120 HN LYS 120 117.397 -14.461 3.616 908 HA LYS 120 HA LYS 120 115.203 -12.576 4.140 909 HB2 LYS 120 HB2 LYS 120 116.191 -12.245 6.265 910 HB3 LYS 120 HB1 LYS 120 116.462 -13.951 5.910 911 HG2 LYS 120 HG2 LYS 120 118.703 -12.966 4.820 912 HG3 LYS 120 HG1 LYS 120 118.414 -11.692 6.001 913 HD2 LYS 120 HD2 LYS 120 119.649 -13.159 7.304 914 HD3 LYS 120 HD1 LYS 120 118.023 -13.757 7.631 915 HE2 LYS 120 HE2 LYS 120 118.261 -15.514 5.990 916 HE3 LYS 120 HE1 LYS 120 119.794 -14.853 5.422 917 HZ1 LYS 120 HZ1 LYS 120 119.288 -15.869 8.167 918 HZ2 LYS 120 HZ2 LYS 120 120.770 -15.300 7.561 919 HZ3 LYS 120 HZ3 LYS 120 120.088 -16.729 6.943 920 H LEU 121 HN LEU 121 115.323 -10.354 3.991 921 HA LEU 121 HA LEU 121 117.757 -9.251 2.637 922 HB2 LEU 121 HB2 LEU 121 114.908 -8.200 2.645 923 HB3 LEU 121 HB1 LEU 121 116.264 -7.498 1.762 924 HG LEU 121 HG LEU 121 115.178 -10.302 1.357 925 HD11 LEU 121 HD11 LEU 121 114.931 -7.773 -0.299 926 HD12 LEU 121 HD12 LEU 121 113.619 -8.633 0.505 927 HD13 LEU 121 HD13 LEU 121 114.460 -9.379 -0.855 928 HD21 LEU 121 HD21 LEU 121 116.678 -9.923 -0.785 929 HD22 LEU 121 HD22 LEU 121 117.418 -10.454 0.724 930 HD23 LEU 121 HD23 LEU 121 117.504 -8.758 0.249 931 H VAL 122 HN VAL 122 118.980 -7.887 3.916 932 HA VAL 122 HA VAL 122 117.665 -6.713 6.326 933 HB VAL 122 HB VAL 122 120.551 -7.387 5.709 934 HG11 VAL 122 HG11 VAL 122 119.335 -5.674 7.874 935 HG12 VAL 122 HG12 VAL 122 120.740 -5.336 6.864 936 HG13 VAL 122 HG13 VAL 122 120.846 -6.542 8.146 937 HG21 VAL 122 HG21 VAL 122 119.143 -8.239 8.201 938 HG22 VAL 122 HG22 VAL 122 120.297 -9.120 7.202 939 HG23 VAL 122 HG23 VAL 122 118.612 -9.001 6.701 940 H PHE 123 HN PHE 123 117.445 -4.555 6.445 941 HA PHE 123 HA PHE 123 118.821 -2.854 4.403 942 HB2 PHE 123 HB2 PHE 123 116.387 -2.720 4.280 943 HB3 PHE 123 HB1 PHE 123 116.279 -2.447 6.016 944 HD1 PHE 123 HD1 PHE 123 117.926 -1.017 2.983 945 HD2 PHE 123 HD2 PHE 123 116.126 -0.249 6.795 946 HE1 PHE 123 HE1 PHE 123 118.135 1.406 2.588 947 HE2 PHE 123 HE2 PHE 123 116.340 2.193 6.407 948 HZ PHE 123 HZ PHE 123 117.345 3.026 4.296 949 H THR 124 HN THR 124 120.553 -1.735 5.282 950 HA THR 124 HA THR 124 120.278 -0.790 8.110 951 HB THR 124 HB THR 124 121.644 -2.937 7.891 952 HG1 THR 124 HG1 THR 124 123.036 -0.684 8.883 953 HG21 THR 124 HG21 THR 124 123.863 -2.782 7.013 954 HG22 THR 124 HG22 THR 124 123.730 -1.035 6.811 955 HG23 THR 124 HG23 THR 124 122.794 -2.117 5.780 956 H VAL 125 HN VAL 125 121.197 1.144 8.596 957 HA VAL 125 HA VAL 125 122.863 2.500 6.544 958 HB VAL 125 HB VAL 125 121.564 4.498 6.588 959 HG11 VAL 125 HG11 VAL 125 119.326 2.502 6.690 960 HG12 VAL 125 HG12 VAL 125 120.576 2.311 5.461 961 HG13 VAL 125 HG13 VAL 125 119.622 3.792 5.524 962 HG21 VAL 125 HG21 VAL 125 119.502 4.593 8.113 963 HG22 VAL 125 HG22 VAL 125 121.069 4.728 8.912 964 HG23 VAL 125 HG23 VAL 125 120.191 3.199 8.944 965 H GLU 126 HN GLU 126 124.095 4.336 7.545 966 HA GLU 126 HA GLU 126 124.313 4.065 10.528 967 HB2 GLU 126 HB2 GLU 126 126.566 4.167 8.499 968 HB3 GLU 126 HB1 GLU 126 126.794 4.331 10.240 969 HG2 GLU 126 HG2 GLU 126 125.858 2.121 10.618 970 HG3 GLU 126 HG1 GLU 126 125.483 1.947 8.904 971 H ALA 127 HN ALA 127 124.869 5.962 11.639 972 HA ALA 127 HA ALA 127 125.462 8.421 10.133 973 HB1 ALA 127 HB1 ALA 127 123.139 8.657 9.916 974 HB2 ALA 127 HB2 ALA 127 123.469 9.538 11.406 975 HB3 ALA 127 HB3 ALA 127 122.820 7.900 11.477 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 116.275 16.053 -5.808 2 H2 GLU 1 HT2 GLU 1 115.775 14.893 -4.672 3 H3 GLU 1 HT3 GLU 1 114.940 15.062 -6.142 4 HA GLU 1 HA GLU 1 116.790 14.243 -7.385 5 HB2 GLU 1 HB2 GLU 1 118.160 14.243 -4.680 6 HB3 GLU 1 HB1 GLU 1 118.818 13.462 -6.117 7 HG2 GLU 1 HG2 GLU 1 119.850 15.560 -6.192 8 HG3 GLU 1 HG1 GLU 1 118.449 15.804 -7.234 9 H LYS 2 HN LYS 2 117.696 12.394 -4.651 10 HA LYS 2 HA LYS 2 115.430 10.507 -5.012 11 HB2 LYS 2 HB2 LYS 2 118.357 9.789 -5.340 12 HB3 LYS 2 HB1 LYS 2 117.060 8.604 -5.173 13 HG2 LYS 2 HG2 LYS 2 115.956 9.526 -7.182 14 HG3 LYS 2 HG1 LYS 2 117.250 10.711 -7.349 15 HD2 LYS 2 HD2 LYS 2 118.011 9.058 -8.792 16 HD3 LYS 2 HD1 LYS 2 118.795 8.559 -7.292 17 HE2 LYS 2 HE2 LYS 2 117.808 6.562 -8.026 18 HE3 LYS 2 HE1 LYS 2 116.602 7.184 -6.901 19 HZ1 LYS 2 HZ1 LYS 2 115.968 6.435 -9.324 20 HZ2 LYS 2 HZ2 LYS 2 116.426 8.029 -9.693 21 HZ3 LYS 2 HZ3 LYS 2 115.188 7.737 -8.567 22 H VAL 3 HN VAL 3 115.107 9.145 -3.178 23 HA VAL 3 HA VAL 3 116.228 10.245 -0.687 24 HB VAL 3 HB VAL 3 114.161 8.082 -1.179 25 HG11 VAL 3 HG11 VAL 3 115.327 9.304 1.304 26 HG12 VAL 3 HG12 VAL 3 114.919 7.620 0.977 27 HG13 VAL 3 HG13 VAL 3 113.640 8.790 1.302 28 HG21 VAL 3 HG21 VAL 3 113.930 11.011 -0.420 29 HG22 VAL 3 HG22 VAL 3 112.584 9.871 -0.421 30 HG23 VAL 3 HG23 VAL 3 113.402 10.273 -1.932 31 H LYS 4 HN LYS 4 117.732 9.204 0.591 32 HA LYS 4 HA LYS 4 119.222 6.994 -0.511 33 HB2 LYS 4 HB2 LYS 4 119.154 7.940 2.377 34 HB3 LYS 4 HB1 LYS 4 120.424 6.987 1.616 35 HG2 LYS 4 HG2 LYS 4 119.645 9.734 0.632 36 HG3 LYS 4 HG1 LYS 4 120.909 9.477 1.834 37 HD2 LYS 4 HD2 LYS 4 122.085 7.978 0.227 38 HD3 LYS 4 HD1 LYS 4 120.859 8.344 -0.981 39 HE2 LYS 4 HE2 LYS 4 121.422 10.735 -0.853 40 HE3 LYS 4 HE1 LYS 4 122.666 10.372 0.343 41 HZ1 LYS 4 HZ1 LYS 4 122.754 8.857 -2.143 42 HZ2 LYS 4 HZ2 LYS 4 124.024 9.470 -1.196 43 HZ3 LYS 4 HZ3 LYS 4 123.170 10.498 -2.243 44 H GLY 5 HN GLY 5 118.680 4.879 -0.475 45 HA2 GLY 5 HA2 GLY 5 117.649 3.506 1.778 46 HA3 GLY 5 HA1 GLY 5 116.286 3.941 0.750 47 H CYS 6 HN CYS 6 116.851 1.272 1.140 48 HA CYS 6 HA CYS 6 118.223 0.429 -1.379 49 HB2 CYS 6 HB2 CYS 6 118.868 -0.474 0.976 50 HB3 CYS 6 HB1 CYS 6 117.406 -1.445 0.832 51 H ASP 7 HN ASP 7 116.992 -0.384 -2.982 52 HA ASP 7 HA ASP 7 114.110 -0.943 -2.395 53 HB2 ASP 7 HB2 ASP 7 114.773 0.879 -4.080 54 HB3 ASP 7 HB1 ASP 7 115.299 -0.442 -5.122 55 H PHE 8 HN PHE 8 113.861 -3.118 -2.102 56 HA PHE 8 HA PHE 8 115.554 -5.009 -3.619 57 HB2 PHE 8 HB2 PHE 8 113.397 -5.460 -1.533 58 HB3 PHE 8 HB1 PHE 8 114.382 -6.735 -2.250 59 HD1 PHE 8 HD2 PHE 8 116.959 -6.477 -2.051 60 HD2 PHE 8 HD1 PHE 8 114.148 -4.298 0.356 61 HE1 PHE 8 HE2 PHE 8 118.735 -6.032 -0.380 62 HE2 PHE 8 HE1 PHE 8 115.925 -3.853 2.028 63 HZ PHE 8 HZ PHE 8 118.218 -4.722 1.661 64 H THR 9 HN THR 9 112.857 -3.291 -4.284 65 HA THR 9 HA THR 9 111.449 -5.503 -5.693 66 HB THR 9 HB THR 9 110.565 -2.625 -5.366 67 HG1 THR 9 HG1 THR 9 110.428 -4.850 -3.678 68 HG21 THR 9 HG21 THR 9 109.047 -5.181 -5.954 69 HG22 THR 9 HG22 THR 9 109.445 -3.936 -7.138 70 HG23 THR 9 HG23 THR 9 108.342 -3.571 -5.810 71 H THR 10 HN THR 10 113.539 -2.806 -6.328 72 HA THR 10 HA THR 10 113.428 -3.434 -9.198 73 HB THR 10 HB THR 10 112.866 -0.592 -8.336 74 HG1 THR 10 HG1 THR 10 111.127 -2.734 -8.919 75 HG21 THR 10 HG21 THR 10 112.196 -1.873 -10.971 76 HG22 THR 10 HG22 THR 10 113.838 -1.317 -10.654 77 HG23 THR 10 HG23 THR 10 112.496 -0.174 -10.606 78 H SER 11 HN SER 11 115.498 -3.325 -9.955 79 HA SER 11 HA SER 11 117.633 -2.322 -8.318 80 HB2 SER 11 HB2 SER 11 117.488 -3.141 -11.226 81 HB3 SER 11 HB1 SER 11 118.986 -2.620 -10.459 82 HG SER 11 HG SER 11 118.877 -4.341 -9.088 83 H GLU 12 HN GLU 12 115.591 -0.914 -10.757 84 HA GLU 12 HA GLU 12 117.224 1.597 -10.666 85 HB2 GLU 12 HB2 GLU 12 115.279 0.576 -12.762 86 HB3 GLU 12 HB1 GLU 12 116.046 2.165 -12.802 87 HG2 GLU 12 HG2 GLU 12 117.535 -0.478 -12.760 88 HG3 GLU 12 HG1 GLU 12 117.262 0.505 -14.200 89 H SER 13 HN SER 13 116.015 1.875 -8.532 90 HA SER 13 HA SER 13 113.157 2.290 -8.584 91 HB2 SER 13 HB2 SER 13 113.599 3.413 -6.354 92 HB3 SER 13 HB1 SER 13 114.195 1.761 -6.484 93 HG SER 13 HG SER 13 115.594 4.195 -6.494 94 H THR 14 HN THR 14 112.043 4.299 -8.416 95 HA THR 14 HA THR 14 113.466 6.553 -9.762 96 HB THR 14 HB THR 14 111.514 6.058 -10.992 97 HG1 THR 14 HG1 THR 14 111.692 8.283 -10.011 98 HG21 THR 14 HG21 THR 14 110.340 5.504 -8.284 99 HG22 THR 14 HG22 THR 14 110.358 4.478 -9.718 100 HG23 THR 14 HG23 THR 14 109.276 5.868 -9.642 101 H ILE 15 HN ILE 15 112.712 5.500 -6.741 102 HA ILE 15 HA ILE 15 112.506 8.291 -5.686 103 HB ILE 15 HB ILE 15 111.300 7.115 -3.711 104 HG12 ILE 15 HG12 ILE 15 110.669 5.138 -5.914 105 HG13 ILE 15 HG11 ILE 15 111.875 4.819 -4.668 106 HG21 ILE 15 HG21 ILE 15 109.116 7.255 -4.968 107 HG22 ILE 15 HG22 ILE 15 110.048 7.491 -6.446 108 HG23 ILE 15 HG23 ILE 15 110.142 8.679 -5.146 109 HD11 ILE 15 HD11 ILE 15 110.142 5.189 -2.930 110 HD12 ILE 15 HD12 ILE 15 109.720 3.858 -4.005 111 HD13 ILE 15 HD13 ILE 15 108.941 5.429 -4.199 112 H PHE 16 HN PHE 16 114.236 5.339 -5.695 113 HA PHE 16 HA PHE 16 115.734 6.226 -3.255 114 HB2 PHE 16 HB2 PHE 16 115.255 3.410 -4.268 115 HB3 PHE 16 HB1 PHE 16 116.327 3.824 -2.931 116 HD1 PHE 16 HD2 PHE 16 115.271 5.277 -1.014 117 HD2 PHE 16 HD1 PHE 16 112.998 2.970 -3.835 118 HE1 PHE 16 HE2 PHE 16 113.333 5.291 0.536 119 HE2 PHE 16 HE1 PHE 16 111.061 2.988 -2.289 120 HZ PHE 16 HZ PHE 16 111.228 4.145 -0.103 121 H SER 17 HN SER 17 117.915 6.456 -3.457 122 HA SER 17 HA SER 17 119.079 6.600 -6.085 123 HB2 SER 17 HB2 SER 17 119.831 7.989 -4.173 124 HB3 SER 17 HB1 SER 17 120.456 6.543 -3.387 125 HG SER 17 HG SER 17 122.002 6.376 -4.896 126 H LYS 18 HN LYS 18 118.782 3.973 -3.817 127 HA LYS 18 HA LYS 18 120.571 2.353 -5.592 128 HB2 LYS 18 HB2 LYS 18 120.435 2.255 -2.566 129 HB3 LYS 18 HB1 LYS 18 121.334 1.121 -3.572 130 HG2 LYS 18 HG2 LYS 18 121.809 4.076 -3.854 131 HG3 LYS 18 HG1 LYS 18 122.594 3.177 -2.557 132 HD2 LYS 18 HD2 LYS 18 123.506 1.592 -4.243 133 HD3 LYS 18 HD1 LYS 18 122.785 2.563 -5.524 134 HE2 LYS 18 HE2 LYS 18 125.109 3.209 -5.286 135 HE3 LYS 18 HE1 LYS 18 124.093 4.531 -4.711 136 HZ1 LYS 18 HZ1 LYS 18 125.374 2.469 -2.999 137 HZ2 LYS 18 HZ2 LYS 18 124.414 3.760 -2.452 138 HZ3 LYS 18 HZ3 LYS 18 125.916 4.065 -3.187 139 H GLY 19 HN GLY 19 119.872 0.291 -6.055 140 HA2 GLY 19 HA2 GLY 19 117.597 -0.861 -4.585 141 HA3 GLY 19 HA1 GLY 19 117.262 -0.422 -6.260 142 H TYR 20 HN TYR 20 117.054 -3.070 -5.563 143 HA TYR 20 HA TYR 20 119.444 -4.270 -6.908 144 HB2 TYR 20 HB2 TYR 20 117.904 -5.268 -4.507 145 HB3 TYR 20 HB1 TYR 20 118.890 -6.342 -5.498 146 HD1 TYR 20 HD1 TYR 20 119.058 -3.105 -3.623 147 HD2 TYR 20 HD2 TYR 20 121.189 -6.531 -5.092 148 HE1 TYR 20 HE1 TYR 20 121.089 -2.364 -2.410 149 HE2 TYR 20 HE2 TYR 20 123.219 -5.791 -3.877 150 HH TYR 20 HH TYR 20 124.065 -3.338 -3.036 151 H SER 21 HN SER 21 118.922 -6.284 -8.070 152 HA SER 21 HA SER 21 116.237 -6.111 -9.311 153 HB2 SER 21 HB2 SER 21 117.931 -6.339 -10.944 154 HB3 SER 21 HB1 SER 21 118.795 -7.548 -10.004 155 HG SER 21 HG SER 21 116.641 -8.734 -10.299 156 H ILE 22 HN ILE 22 114.779 -7.912 -9.329 157 HA ILE 22 HA ILE 22 114.628 -9.420 -6.937 158 HB ILE 22 HB ILE 22 112.898 -10.749 -8.081 159 HG12 ILE 22 HG12 ILE 22 113.736 -9.213 -10.561 160 HG13 ILE 22 HG11 ILE 22 114.106 -10.912 -10.270 161 HG21 ILE 22 HG21 ILE 22 111.436 -8.851 -8.719 162 HG22 ILE 22 HG22 ILE 22 112.845 -7.790 -8.746 163 HG23 ILE 22 HG23 ILE 22 112.319 -8.520 -7.229 164 HD11 ILE 22 HD11 ILE 22 111.589 -11.256 -9.950 165 HD12 ILE 22 HD12 ILE 22 112.132 -10.929 -11.596 166 HD13 ILE 22 HD13 ILE 22 111.391 -9.645 -10.642 167 H ASN 23 HN ASN 23 116.160 -10.140 -10.023 168 HA ASN 23 HA ASN 23 116.630 -12.936 -9.496 169 HB2 ASN 23 HB2 ASN 23 116.769 -12.006 -11.773 170 HB3 ASN 23 HB1 ASN 23 118.145 -11.014 -11.291 171 HD21 ASN 23 HD21 ASN 23 118.486 -12.880 -13.380 172 HD22 ASN 23 HD22 ASN 23 119.474 -14.151 -12.843 173 H GLU 24 HN GLU 24 118.527 -9.990 -8.923 174 HA GLU 24 HA GLU 24 120.913 -11.264 -8.046 175 HB2 GLU 24 HB2 GLU 24 119.694 -8.583 -7.366 176 HB3 GLU 24 HB1 GLU 24 121.283 -9.082 -6.786 177 HG2 GLU 24 HG2 GLU 24 122.090 -9.345 -9.062 178 HG3 GLU 24 HG1 GLU 24 120.483 -9.024 -9.711 179 H ILE 25 HN ILE 25 118.061 -10.193 -6.167 180 HA ILE 25 HA ILE 25 119.165 -11.056 -3.648 181 HB ILE 25 HB ILE 25 116.785 -10.901 -2.851 182 HG12 ILE 25 HG12 ILE 25 116.330 -10.249 -5.769 183 HG13 ILE 25 HG11 ILE 25 115.633 -11.599 -4.877 184 HG21 ILE 25 HG21 ILE 25 117.586 -8.527 -4.545 185 HG22 ILE 25 HG22 ILE 25 118.402 -8.942 -3.038 186 HG23 ILE 25 HG23 ILE 25 116.690 -8.517 -3.027 187 HD11 ILE 25 HD11 ILE 25 114.986 -8.673 -4.676 188 HD12 ILE 25 HD12 ILE 25 114.717 -9.725 -3.287 189 HD13 ILE 25 HD13 ILE 25 113.888 -10.046 -4.810 190 H SER 26 HN SER 26 116.915 -12.588 -5.955 191 HA SER 26 HA SER 26 116.566 -14.989 -4.407 192 HB2 SER 26 HB2 SER 26 115.175 -14.144 -6.415 193 HB3 SER 26 HB1 SER 26 116.426 -14.875 -7.418 194 HG SER 26 HG SER 26 115.752 -16.802 -6.849 195 H ASN 27 HN ASN 27 118.687 -14.225 -7.170 196 HA ASN 27 HA ASN 27 120.167 -16.139 -8.008 197 HB2 ASN 27 HB2 ASN 27 121.075 -13.768 -7.417 198 HB3 ASN 27 HB1 ASN 27 121.734 -14.555 -5.981 199 HD21 ASN 27 HD21 ASN 27 123.931 -14.852 -6.440 200 HD22 ASN 27 HD22 ASN 27 124.529 -15.569 -7.858 201 H LYS 28 HN LYS 28 119.422 -18.114 -7.013 202 HA LYS 28 HA LYS 28 119.522 -18.975 -4.407 203 HB2 LYS 28 HB2 LYS 28 120.140 -20.340 -7.004 204 HB3 LYS 28 HB1 LYS 28 120.479 -21.214 -5.509 205 HG2 LYS 28 HG2 LYS 28 118.239 -21.791 -6.131 206 HG3 LYS 28 HG1 LYS 28 118.097 -20.661 -4.786 207 HD2 LYS 28 HD2 LYS 28 117.785 -18.802 -6.415 208 HD3 LYS 28 HD1 LYS 28 117.839 -19.977 -7.730 209 HE2 LYS 28 HE2 LYS 28 115.849 -20.075 -5.447 210 HE3 LYS 28 HE1 LYS 28 115.505 -19.380 -7.030 211 HZ1 LYS 28 HZ1 LYS 28 114.887 -21.441 -7.564 212 HZ2 LYS 28 HZ2 LYS 28 115.676 -22.140 -6.231 213 HZ3 LYS 28 HZ3 LYS 28 116.544 -21.792 -7.650 214 H SER 29 HN SER 29 121.254 -20.443 -3.369 215 HA SER 29 HA SER 29 123.532 -18.993 -2.701 216 HB2 SER 29 HB2 SER 29 124.539 -21.201 -2.033 217 HB3 SER 29 HB1 SER 29 122.908 -20.945 -1.420 218 HG SER 29 HG SER 29 122.323 -22.057 -3.525 219 H SER 30 HN SER 30 124.037 -18.135 -4.942 220 HA SER 30 HA SER 30 126.017 -19.938 -6.278 221 HB2 SER 30 HB2 SER 30 125.306 -19.230 -8.421 222 HB3 SER 30 HB1 SER 30 123.808 -19.542 -7.548 223 HG SER 30 HG SER 30 123.351 -17.545 -7.988 224 H ASN 31 HN ASN 31 125.024 -16.597 -5.585 225 HA ASN 31 HA ASN 31 127.891 -15.787 -5.958 226 HB2 ASN 31 HB2 ASN 31 126.266 -14.773 -7.595 227 HB3 ASN 31 HB1 ASN 31 125.457 -14.005 -6.228 228 HD21 ASN 31 HD21 ASN 31 126.089 -11.849 -7.010 229 HD22 ASN 31 HD22 ASN 31 127.691 -11.305 -6.860 230 H ASN 32 HN ASN 32 125.230 -16.016 -3.795 231 HA ASN 32 HA ASN 32 126.869 -14.993 -1.606 232 HB2 ASN 32 HB2 ASN 32 125.190 -13.252 -0.933 233 HB3 ASN 32 HB1 ASN 32 126.036 -12.865 -2.432 234 HD21 ASN 32 HD21 ASN 32 123.797 -11.506 -2.447 235 HD22 ASN 32 HD22 ASN 32 122.535 -12.256 -3.298 236 H GLN 33 HN GLN 33 126.456 -16.514 -0.079 237 HA GLN 33 HA GLN 33 123.670 -17.602 0.109 238 HB2 GLN 33 HB2 GLN 33 124.756 -19.538 1.268 239 HB3 GLN 33 HB1 GLN 33 125.283 -19.337 -0.404 240 HG2 GLN 33 HG2 GLN 33 127.301 -18.149 0.368 241 HG3 GLN 33 HG1 GLN 33 126.780 -18.347 2.041 242 HE21 GLN 33 HE21 GLN 33 128.250 -19.881 2.862 243 HE22 GLN 33 HE22 GLN 33 128.536 -21.398 2.157 244 H GLN 34 HN GLN 34 123.891 -15.200 1.328 245 HA GLN 34 HA GLN 34 123.682 -15.945 4.171 246 HB2 GLN 34 HB2 GLN 34 125.167 -14.111 4.901 247 HB3 GLN 34 HB1 GLN 34 126.048 -15.288 3.928 248 HG2 GLN 34 HG2 GLN 34 125.783 -13.850 1.939 249 HG3 GLN 34 HG1 GLN 34 124.902 -12.671 2.912 250 HE21 GLN 34 HE21 GLN 34 126.836 -11.253 2.134 251 HE22 GLN 34 HE22 GLN 34 128.232 -11.272 3.100 252 H ASP 35 HN ASP 35 123.345 -13.462 5.275 253 HA ASP 35 HA ASP 35 120.752 -12.690 4.231 254 HB2 ASP 35 HB2 ASP 35 122.396 -11.132 6.236 255 HB3 ASP 35 HB1 ASP 35 120.639 -11.202 6.089 256 H ILE 36 HN ILE 36 120.214 -10.836 3.038 257 HA ILE 36 HA ILE 36 122.495 -9.512 1.687 258 HB ILE 36 HB ILE 36 119.525 -9.041 1.300 259 HG12 ILE 36 HG12 ILE 36 119.992 -11.400 0.907 260 HG13 ILE 36 HG11 ILE 36 119.788 -10.597 -0.650 261 HG21 ILE 36 HG21 ILE 36 120.865 -7.274 0.352 262 HG22 ILE 36 HG22 ILE 36 120.351 -8.313 -0.977 263 HG23 ILE 36 HG23 ILE 36 121.994 -8.435 -0.346 264 HD11 ILE 36 HD11 ILE 36 122.369 -10.287 -0.584 265 HD12 ILE 36 HD12 ILE 36 121.736 -11.888 -0.957 266 HD13 ILE 36 HD13 ILE 36 122.335 -11.534 0.661 267 H VAL 37 HN VAL 37 123.310 -7.631 2.480 268 HA VAL 37 HA VAL 37 121.535 -5.983 4.246 269 HB VAL 37 HB VAL 37 124.513 -6.477 4.362 270 HG11 VAL 37 HG11 VAL 37 124.231 -4.925 6.441 271 HG12 VAL 37 HG12 VAL 37 122.787 -4.347 5.610 272 HG13 VAL 37 HG13 VAL 37 124.369 -4.182 4.848 273 HG21 VAL 37 HG21 VAL 37 122.515 -6.748 6.599 274 HG22 VAL 37 HG22 VAL 37 124.074 -7.548 6.403 275 HG23 VAL 37 HG23 VAL 37 122.699 -8.045 5.417 276 H CYS 38 HN CYS 38 121.205 -3.903 3.638 277 HA CYS 38 HA CYS 38 122.807 -2.872 1.337 278 HB2 CYS 38 HB2 CYS 38 120.165 -1.954 2.526 279 HB3 CYS 38 HB1 CYS 38 120.994 -1.155 1.190 280 H THR 39 HN THR 39 124.640 -1.971 2.312 281 HA THR 39 HA THR 39 124.270 -0.295 4.720 282 HB THR 39 HB THR 39 126.797 -1.077 3.234 283 HG1 THR 39 HG1 THR 39 125.402 -2.150 5.436 284 HG21 THR 39 HG21 THR 39 127.828 -0.408 5.468 285 HG22 THR 39 HG22 THR 39 126.279 0.342 5.852 286 HG23 THR 39 HG23 THR 39 127.221 0.919 4.479 287 H VAL 40 HN VAL 40 123.902 1.828 4.484 288 HA VAL 40 HA VAL 40 125.305 3.283 2.289 289 HB VAL 40 HB VAL 40 123.187 4.561 1.823 290 HG11 VAL 40 HG11 VAL 40 122.919 1.575 1.370 291 HG12 VAL 40 HG12 VAL 40 123.989 2.616 0.431 292 HG13 VAL 40 HG13 VAL 40 122.245 2.866 0.376 293 HG21 VAL 40 HG21 VAL 40 121.097 3.797 2.664 294 HG22 VAL 40 HG22 VAL 40 122.166 3.805 4.066 295 HG23 VAL 40 HG23 VAL 40 121.794 2.287 3.248 296 H LYS 41 HN LYS 41 125.506 5.595 2.755 297 HA LYS 41 HA LYS 41 125.439 6.109 5.685 298 HB2 LYS 41 HB2 LYS 41 126.801 7.562 3.399 299 HB3 LYS 41 HB1 LYS 41 126.856 8.089 5.081 300 HG2 LYS 41 HG2 LYS 41 127.913 5.993 5.747 301 HG3 LYS 41 HG1 LYS 41 127.772 5.370 4.104 302 HD2 LYS 41 HD2 LYS 41 130.007 6.161 4.258 303 HD3 LYS 41 HD1 LYS 41 129.140 7.423 3.382 304 HE2 LYS 41 HE2 LYS 41 128.999 8.809 5.319 305 HE3 LYS 41 HE1 LYS 41 129.493 7.495 6.385 306 HZ1 LYS 41 HZ1 LYS 41 131.643 7.475 5.188 307 HZ2 LYS 41 HZ2 LYS 41 131.348 8.918 6.035 308 HZ3 LYS 41 HZ3 LYS 41 131.155 8.866 4.347 309 H ALA 42 HN ALA 42 123.977 7.509 6.550 310 HA ALA 42 HA ALA 42 122.163 8.932 4.662 311 HB1 ALA 42 HB1 ALA 42 121.872 8.425 7.641 312 HB2 ALA 42 HB2 ALA 42 121.144 7.442 6.370 313 HB3 ALA 42 HB3 ALA 42 120.650 9.118 6.578 314 H HIS 43 HN HIS 43 121.489 11.168 5.309 315 HA HIS 43 HA HIS 43 123.618 12.612 6.837 316 HB2 HIS 43 HB2 HIS 43 123.757 12.749 4.233 317 HB3 HIS 43 HB1 HIS 43 122.363 13.817 4.382 318 HD1 HIS 43 HD1 HIS 43 122.693 16.044 5.751 319 HD2 HIS 43 HD2 HIS 43 126.195 13.881 5.076 320 HE1 HIS 43 HE1 HIS 43 124.617 17.607 6.285 321 HE2 HIS 43 HE2 HIS 43 126.753 16.299 5.877 322 H ALA 44 HN ALA 44 122.879 14.466 7.945 323 HA ALA 44 HA ALA 44 120.308 14.398 9.056 324 HB1 ALA 44 HB1 ALA 44 122.381 16.546 8.785 325 HB2 ALA 44 HB2 ALA 44 121.779 15.756 10.242 326 HB3 ALA 44 HB3 ALA 44 120.795 16.966 9.424 327 H ASN 45 HN ASN 45 121.345 15.791 6.023 328 HA ASN 45 HA ASN 45 118.690 17.089 5.665 329 HB2 ASN 45 HB2 ASN 45 120.730 18.402 5.122 330 HB3 ASN 45 HB1 ASN 45 121.164 17.196 3.911 331 HD21 ASN 45 HD21 ASN 45 120.862 18.496 2.024 332 HD22 ASN 45 HD22 ASN 45 119.357 19.146 1.579 333 H ASP 46 HN ASP 46 120.559 14.353 4.650 334 HA ASP 46 HA ASP 46 119.091 13.835 2.202 335 HB2 ASP 46 HB2 ASP 46 120.917 12.166 3.940 336 HB3 ASP 46 HB1 ASP 46 120.127 11.506 2.515 337 H LEU 47 HN LEU 47 117.219 12.640 1.933 338 HA LEU 47 HA LEU 47 115.640 12.005 4.294 339 HB2 LEU 47 HB2 LEU 47 115.250 11.699 1.320 340 HB3 LEU 47 HB1 LEU 47 114.142 10.913 2.442 341 HG LEU 47 HG LEU 47 114.799 13.837 2.765 342 HD11 LEU 47 HD11 LEU 47 112.842 14.368 1.353 343 HD12 LEU 47 HD12 LEU 47 112.654 12.656 0.967 344 HD13 LEU 47 HD13 LEU 47 114.083 13.533 0.418 345 HD21 LEU 47 HD21 LEU 47 113.567 12.862 4.588 346 HD22 LEU 47 HD22 LEU 47 112.491 12.002 3.491 347 HD23 LEU 47 HD23 LEU 47 112.390 13.750 3.626 348 H ILE 48 HN ILE 48 115.184 9.923 5.120 349 HA ILE 48 HA ILE 48 116.833 7.708 3.920 350 HB ILE 48 HB ILE 48 117.042 6.811 6.218 351 HG12 ILE 48 HG12 ILE 48 115.794 9.439 7.078 352 HG13 ILE 48 HG11 ILE 48 114.933 7.902 7.070 353 HG21 ILE 48 HG21 ILE 48 118.463 8.758 7.109 354 HG22 ILE 48 HG22 ILE 48 117.981 9.623 5.652 355 HG23 ILE 48 HG23 ILE 48 118.891 8.117 5.526 356 HD11 ILE 48 HD11 ILE 48 116.026 8.633 9.290 357 HD12 ILE 48 HD12 ILE 48 117.556 8.206 8.523 358 HD13 ILE 48 HD13 ILE 48 116.310 6.979 8.748 359 H GLY 49 HN GLY 49 115.843 5.725 3.686 360 HA2 GLY 49 HA2 GLY 49 113.480 4.830 4.970 361 HA3 GLY 49 HA1 GLY 49 112.990 5.649 3.485 362 H PHE 50 HN PHE 50 112.285 3.188 3.222 363 HA PHE 50 HA PHE 50 114.110 2.065 1.258 364 HB2 PHE 50 HB2 PHE 50 114.588 -0.036 2.350 365 HB3 PHE 50 HB1 PHE 50 115.103 1.265 3.423 366 HD1 PHE 50 HD2 PHE 50 113.836 1.809 5.454 367 HD2 PHE 50 HD1 PHE 50 112.645 -1.408 2.868 368 HE1 PHE 50 HE2 PHE 50 112.339 0.936 7.228 369 HE2 PHE 50 HE1 PHE 50 111.150 -2.281 4.642 370 HZ PHE 50 HZ PHE 50 110.998 -1.111 6.823 371 H LYS 51 HN LYS 51 113.163 -0.064 0.386 372 HA LYS 51 HA LYS 51 110.254 -0.335 0.901 373 HB2 LYS 51 HB2 LYS 51 110.399 1.327 -0.892 374 HB3 LYS 51 HB1 LYS 51 111.429 0.248 -1.834 375 HG2 LYS 51 HG2 LYS 51 109.605 -1.412 -1.928 376 HG3 LYS 51 HG1 LYS 51 108.577 -0.338 -0.981 377 HD2 LYS 51 HD2 LYS 51 108.730 1.374 -2.748 378 HD3 LYS 51 HD1 LYS 51 109.766 0.307 -3.696 379 HE2 LYS 51 HE2 LYS 51 107.471 0.131 -4.509 380 HE3 LYS 51 HE1 LYS 51 107.932 -1.384 -3.731 381 HZ1 LYS 51 HZ1 LYS 51 106.024 0.644 -2.873 382 HZ2 LYS 51 HZ2 LYS 51 106.944 -0.100 -1.653 383 HZ3 LYS 51 HZ3 LYS 51 105.976 -1.042 -2.684 384 H CYS 52 HN CYS 52 109.479 -2.412 0.436 385 HA CYS 52 HA CYS 52 111.468 -4.366 -0.636 386 HB2 CYS 52 HB2 CYS 52 109.518 -4.677 1.675 387 HB3 CYS 52 HB1 CYS 52 110.408 -6.021 0.965 388 HA PRO 53 HA PRO 53 108.421 -5.487 -3.647 389 HB2 PRO 53 HB2 PRO 53 108.469 -8.303 -3.314 390 HB3 PRO 53 HB1 PRO 53 109.469 -7.353 -4.427 391 HG2 PRO 53 HG2 PRO 53 110.130 -8.435 -1.752 392 HG3 PRO 53 HG1 PRO 53 111.169 -8.200 -3.164 393 HD2 PRO 53 HD2 PRO 53 111.308 -6.570 -1.031 394 HD3 PRO 53 HD1 PRO 53 111.527 -5.949 -2.683 395 H SER 54 HN SER 54 106.216 -6.115 -3.794 396 HA SER 54 HA SER 54 104.740 -6.020 -1.314 397 HB2 SER 54 HB2 SER 54 103.974 -6.437 -4.196 398 HB3 SER 54 HB1 SER 54 102.778 -6.567 -2.909 399 HG SER 54 HG SER 54 103.946 -4.367 -3.997 400 H ASN 55 HN ASN 55 106.219 -8.614 -2.950 401 HA ASN 55 HA ASN 55 104.247 -10.607 -2.010 402 HB2 ASN 55 HB2 ASN 55 106.893 -10.928 -3.461 403 HB3 ASN 55 HB1 ASN 55 105.774 -12.242 -3.097 404 HD21 ASN 55 HD21 ASN 55 106.675 -10.505 -5.665 405 HD22 ASN 55 HD22 ASN 55 105.196 -10.328 -6.480 406 H TYR 56 HN TYR 56 106.730 -8.931 -0.601 407 HA TYR 56 HA TYR 56 107.510 -11.229 1.145 408 HB2 TYR 56 HB2 TYR 56 108.915 -8.697 0.367 409 HB3 TYR 56 HB1 TYR 56 109.362 -9.548 1.846 410 HD1 TYR 56 HD1 TYR 56 108.689 -10.239 -1.785 411 HD2 TYR 56 HD2 TYR 56 110.947 -11.253 1.723 412 HE1 TYR 56 HE1 TYR 56 110.028 -11.847 -3.113 413 HE2 TYR 56 HE2 TYR 56 112.286 -12.864 0.396 414 HH TYR 56 HH TYR 56 112.832 -12.945 -2.386 415 H SER 57 HN SER 57 107.836 -10.666 3.490 416 HA SER 57 HA SER 57 105.655 -8.810 4.356 417 HB2 SER 57 HB2 SER 57 107.000 -11.180 5.653 418 HB3 SER 57 HB1 SER 57 106.049 -10.037 6.595 419 HG SER 57 HG SER 57 104.286 -10.801 5.722 420 H VAL 58 HN VAL 58 106.120 -7.160 5.890 421 HA VAL 58 HA VAL 58 109.024 -6.513 6.094 422 HB VAL 58 HB VAL 58 108.407 -4.253 6.371 423 HG11 VAL 58 HG11 VAL 58 107.861 -5.359 4.109 424 HG12 VAL 58 HG12 VAL 58 107.125 -3.790 4.433 425 HG13 VAL 58 HG13 VAL 58 106.173 -5.264 4.610 426 HG21 VAL 58 HG21 VAL 58 105.723 -5.382 7.166 427 HG22 VAL 58 HG22 VAL 58 105.894 -3.695 6.679 428 HG23 VAL 58 HG23 VAL 58 106.776 -4.301 8.082 429 H GLU 59 HN GLU 59 110.038 -6.836 7.966 430 HA GLU 59 HA GLU 59 108.475 -6.773 10.503 431 HB2 GLU 59 HB2 GLU 59 110.450 -8.824 9.534 432 HB3 GLU 59 HB1 GLU 59 110.239 -8.544 11.262 433 HG2 GLU 59 HG2 GLU 59 108.080 -9.368 11.280 434 HG3 GLU 59 HG1 GLU 59 107.783 -8.930 9.595 435 HA PRO 60 HA PRO 60 111.858 -3.889 11.210 436 HB2 PRO 60 HB2 PRO 60 111.156 -3.037 13.687 437 HB3 PRO 60 HB1 PRO 60 110.256 -2.553 12.235 438 HG2 PRO 60 HG2 PRO 60 109.600 -4.629 14.265 439 HG3 PRO 60 HG1 PRO 60 108.534 -3.466 13.456 440 HD2 PRO 60 HD2 PRO 60 108.766 -6.110 12.702 441 HD3 PRO 60 HD1 PRO 60 108.268 -4.802 11.604 442 H HIS 61 HN HIS 61 113.840 -4.818 11.606 443 HA HIS 61 HA HIS 61 114.160 -6.597 13.960 444 HB2 HIS 61 HB2 HIS 61 115.105 -7.082 11.589 445 HB3 HIS 61 HB1 HIS 61 116.345 -5.897 12.005 446 HD1 HIS 61 HD1 HIS 61 117.252 -6.438 14.692 447 HD2 HIS 61 HD2 HIS 61 115.982 -9.598 12.283 448 HE1 HIS 61 HE1 HIS 61 118.263 -8.542 15.678 449 HE2 HIS 61 HE2 HIS 61 117.497 -10.471 14.220 450 H ASP 62 HN ASP 62 114.919 -3.438 12.768 451 HA ASP 62 HA ASP 62 115.696 -2.483 15.384 452 HB2 ASP 62 HB2 ASP 62 117.807 -3.625 14.699 453 HB3 ASP 62 HB1 ASP 62 117.871 -2.593 13.270 454 H CYS 63 HN CYS 63 113.765 -1.831 13.380 455 HA CYS 63 HA CYS 63 114.535 0.357 11.719 456 HB2 CYS 63 HB2 CYS 63 111.849 -0.320 12.952 457 HB3 CYS 63 HB1 CYS 63 112.091 0.881 11.681 458 H PHE 64 HN PHE 64 112.576 2.365 12.573 459 HA PHE 64 HA PHE 64 114.143 3.486 14.850 460 HB2 PHE 64 HB2 PHE 64 113.107 5.690 13.997 461 HB3 PHE 64 HB1 PHE 64 114.400 4.952 13.052 462 HD1 PHE 64 HD2 PHE 64 113.838 3.579 11.024 463 HD2 PHE 64 HD1 PHE 64 110.902 5.914 13.116 464 HE1 PHE 64 HE2 PHE 64 112.334 3.451 9.056 465 HE2 PHE 64 HE1 PHE 64 109.402 5.785 11.148 466 HZ PHE 64 HZ PHE 64 110.115 4.557 9.121 467 H VAL 65 HN VAL 65 110.750 3.573 13.626 468 HA VAL 65 HA VAL 65 109.573 4.720 15.902 469 HB VAL 65 HB VAL 65 108.528 2.563 14.051 470 HG11 VAL 65 HG11 VAL 65 107.242 3.861 16.455 471 HG12 VAL 65 HG12 VAL 65 107.291 2.151 16.027 472 HG13 VAL 65 HG13 VAL 65 106.268 3.261 15.113 473 HG21 VAL 65 HG21 VAL 65 107.145 4.412 13.208 474 HG22 VAL 65 HG22 VAL 65 108.850 4.859 13.152 475 HG23 VAL 65 HG23 VAL 65 107.816 5.491 14.431 476 H SER 66 HN SER 66 109.464 1.193 15.364 477 HA SER 66 HA SER 66 110.370 0.764 18.157 478 HB2 SER 66 HB2 SER 66 107.895 0.809 18.259 479 HB3 SER 66 HB1 SER 66 107.824 -0.426 17.005 480 HG SER 66 HG SER 66 109.151 -0.704 19.503 481 H ALA 67 HN ALA 67 111.794 -0.964 18.204 482 HA ALA 67 HA ALA 67 111.525 -3.222 16.398 483 HB1 ALA 67 HB1 ALA 67 112.386 -1.447 14.857 484 HB2 ALA 67 HB2 ALA 67 113.480 -2.819 15.017 485 HB3 ALA 67 HB3 ALA 67 113.818 -1.315 15.876 486 H PHE 68 HN PHE 68 113.793 -4.443 16.425 487 HA PHE 68 HA PHE 68 114.525 -4.654 19.290 488 HB2 PHE 68 HB2 PHE 68 115.461 -6.462 17.049 489 HB3 PHE 68 HB1 PHE 68 115.378 -6.821 18.771 490 HD1 PHE 68 HD1 PHE 68 113.195 -5.876 15.885 491 HD2 PHE 68 HD2 PHE 68 113.492 -7.924 19.642 492 HE1 PHE 68 HE1 PHE 68 110.905 -6.768 15.570 493 HE2 PHE 68 HE2 PHE 68 111.196 -8.817 19.332 494 HZ PHE 68 HZ PHE 68 109.905 -8.236 17.285 495 H ASN 69 HN ASN 69 116.693 -4.378 20.000 496 HA ASN 69 HA ASN 69 118.360 -2.742 18.207 497 HB2 ASN 69 HB2 ASN 69 118.623 -3.561 21.107 498 HB3 ASN 69 HB1 ASN 69 119.857 -2.627 20.260 499 HD21 ASN 69 HD21 ASN 69 118.426 -1.511 22.474 500 HD22 ASN 69 HD22 ASN 69 117.441 -0.256 21.897 501 H LEU 70 HN LEU 70 120.914 -3.361 18.782 502 HA LEU 70 HA LEU 70 121.408 -5.721 17.233 503 HB2 LEU 70 HB2 LEU 70 123.225 -4.096 19.040 504 HB3 LEU 70 HB1 LEU 70 123.793 -5.393 17.992 505 HG LEU 70 HG LEU 70 122.191 -3.046 16.947 506 HD11 LEU 70 HD11 LEU 70 124.327 -2.050 16.249 507 HD12 LEU 70 HD12 LEU 70 125.207 -3.368 17.022 508 HD13 LEU 70 HD13 LEU 70 124.283 -2.231 18.003 509 HD21 LEU 70 HD21 LEU 70 123.801 -5.300 15.747 510 HD22 LEU 70 HD22 LEU 70 123.559 -3.803 14.851 511 HD23 LEU 70 HD23 LEU 70 122.172 -4.768 15.340 512 H SER 71 HN SER 71 120.641 -5.279 20.526 513 HA SER 71 HA SER 71 121.933 -7.778 21.417 514 HB2 SER 71 HB2 SER 71 119.919 -6.122 22.949 515 HB3 SER 71 HB1 SER 71 121.131 -7.225 23.596 516 HG SER 71 HG SER 71 121.904 -5.146 23.802 517 H GLY 72 HN GLY 72 119.166 -6.926 19.749 518 HA2 GLY 72 HA2 GLY 72 117.414 -8.321 19.003 519 HA3 GLY 72 HA1 GLY 72 118.027 -9.595 20.059 520 H LYS 73 HN LYS 73 117.536 -6.481 21.473 521 HA LYS 73 HA LYS 73 115.148 -7.562 22.916 522 HB2 LYS 73 HB2 LYS 73 117.112 -5.384 23.702 523 HB3 LYS 73 HB1 LYS 73 115.725 -5.892 24.664 524 HG2 LYS 73 HG2 LYS 73 117.689 -7.970 23.754 525 HG3 LYS 73 HG1 LYS 73 118.117 -6.936 25.117 526 HD2 LYS 73 HD2 LYS 73 115.410 -8.229 25.083 527 HD3 LYS 73 HD1 LYS 73 116.813 -9.205 25.521 528 HE2 LYS 73 HE2 LYS 73 117.388 -7.687 27.317 529 HE3 LYS 73 HE1 LYS 73 116.143 -6.546 26.812 530 HZ1 LYS 73 HZ1 LYS 73 114.698 -7.629 28.063 531 HZ2 LYS 73 HZ2 LYS 73 115.893 -8.742 28.532 532 HZ3 LYS 73 HZ3 LYS 73 114.941 -9.041 27.157 533 H ASN 74 HN ASN 74 113.248 -6.330 22.964 534 HA ASN 74 HA ASN 74 112.807 -4.500 20.793 535 HB2 ASN 74 HB2 ASN 74 111.095 -5.963 22.088 536 HB3 ASN 74 HB1 ASN 74 111.047 -4.622 23.234 537 HD21 ASN 74 HD21 ASN 74 108.875 -3.955 22.640 538 HD22 ASN 74 HD22 ASN 74 108.534 -3.258 21.131 539 H GLU 75 HN GLU 75 113.062 -2.313 20.696 540 HA GLU 75 HA GLU 75 113.140 -0.710 23.173 541 HB2 GLU 75 HB2 GLU 75 115.502 -1.628 22.631 542 HB3 GLU 75 HB1 GLU 75 115.468 -0.517 21.262 543 HG2 GLU 75 HG2 GLU 75 116.526 0.629 23.109 544 HG3 GLU 75 HG1 GLU 75 114.929 1.339 22.887 545 H ASN 76 HN ASN 76 113.220 1.658 22.628 546 HA ASN 76 HA ASN 76 111.910 2.149 19.984 547 HB2 ASN 76 HB2 ASN 76 110.766 2.711 22.260 548 HB3 ASN 76 HB1 ASN 76 111.873 4.086 22.289 549 HD21 ASN 76 HD21 ASN 76 108.810 3.840 21.771 550 HD22 ASN 76 HD22 ASN 76 108.582 4.729 20.345 551 H LEU 77 HN LEU 77 112.831 3.624 18.558 552 HA LEU 77 HA LEU 77 115.562 4.531 19.212 553 HB2 LEU 77 HB2 LEU 77 114.827 3.499 16.987 554 HB3 LEU 77 HB1 LEU 77 114.031 5.034 16.657 555 HG LEU 77 HG LEU 77 116.348 6.090 17.230 556 HD11 LEU 77 HD11 LEU 77 118.210 4.489 16.533 557 HD12 LEU 77 HD12 LEU 77 117.048 3.187 16.770 558 HD13 LEU 77 HD13 LEU 77 117.514 4.211 18.127 559 HD21 LEU 77 HD21 LEU 77 115.223 5.884 14.950 560 HD22 LEU 77 HD22 LEU 77 116.205 4.440 14.706 561 HD23 LEU 77 HD23 LEU 77 116.979 6.006 14.932 562 H GLU 78 HN GLU 78 112.434 5.798 19.491 563 HA GLU 78 HA GLU 78 112.805 8.509 18.705 564 HB2 GLU 78 HB2 GLU 78 110.969 9.011 20.318 565 HB3 GLU 78 HB1 GLU 78 110.592 7.648 19.269 566 HG2 GLU 78 HG2 GLU 78 110.046 6.639 21.251 567 HG3 GLU 78 HG1 GLU 78 111.778 6.314 21.309 568 H ASN 79 HN ASN 79 113.404 6.928 21.863 569 HA ASN 79 HA ASN 79 114.336 9.304 23.177 570 HB2 ASN 79 HB2 ASN 79 115.467 7.672 24.736 571 HB3 ASN 79 HB1 ASN 79 113.745 7.366 24.505 572 HD21 ASN 79 HD21 ASN 79 114.631 5.088 25.258 573 HD22 ASN 79 HD22 ASN 79 115.112 4.037 24.015 574 H LYS 80 HN LYS 80 115.907 6.891 21.134 575 HA LYS 80 HA LYS 80 118.612 7.817 21.600 576 HB2 LYS 80 HB2 LYS 80 118.044 5.570 20.656 577 HB3 LYS 80 HB1 LYS 80 117.485 6.363 19.186 578 HG2 LYS 80 HG2 LYS 80 119.675 5.854 18.594 579 HG3 LYS 80 HG1 LYS 80 119.886 7.476 19.245 580 HD2 LYS 80 HD2 LYS 80 121.544 6.344 20.406 581 HD3 LYS 80 HD1 LYS 80 120.198 6.183 21.533 582 HE2 LYS 80 HE2 LYS 80 119.678 3.965 20.662 583 HE3 LYS 80 HE1 LYS 80 120.930 4.126 19.431 584 HZ1 LYS 80 HZ1 LYS 80 121.173 3.450 22.215 585 HZ2 LYS 80 HZ2 LYS 80 122.261 4.657 21.720 586 HZ3 LYS 80 HZ3 LYS 80 122.240 3.153 20.930 587 H LEU 81 HN LEU 81 116.308 8.329 18.913 588 HA LEU 81 HA LEU 81 117.395 11.045 18.519 589 HB2 LEU 81 HB2 LEU 81 118.771 9.388 17.118 590 HB3 LEU 81 HB1 LEU 81 117.301 9.125 16.181 591 HG LEU 81 HG LEU 81 117.187 11.588 15.752 592 HD11 LEU 81 HD11 LEU 81 119.658 12.602 16.157 593 HD12 LEU 81 HD12 LEU 81 119.596 11.482 17.515 594 HD13 LEU 81 HD13 LEU 81 118.374 12.742 17.355 595 HD21 LEU 81 HD21 LEU 81 118.145 10.307 13.995 596 HD22 LEU 81 HD22 LEU 81 119.611 9.989 14.921 597 HD23 LEU 81 HD23 LEU 81 119.309 11.601 14.276 598 H LYS 82 HN LYS 82 115.602 12.310 18.282 599 HA LYS 82 HA LYS 82 113.031 11.090 17.668 600 HB2 LYS 82 HB2 LYS 82 113.161 12.951 19.264 601 HB3 LYS 82 HB1 LYS 82 113.817 14.002 18.011 602 HG2 LYS 82 HG2 LYS 82 111.422 14.428 18.264 603 HG3 LYS 82 HG1 LYS 82 111.720 13.687 16.695 604 HD2 LYS 82 HD2 LYS 82 110.874 11.595 17.381 605 HD3 LYS 82 HD1 LYS 82 111.031 11.995 19.094 606 HE2 LYS 82 HE2 LYS 82 109.236 13.643 18.894 607 HE3 LYS 82 HE1 LYS 82 109.121 13.341 17.161 608 HZ1 LYS 82 HZ1 LYS 82 108.092 11.804 19.369 609 HZ2 LYS 82 HZ2 LYS 82 108.903 10.867 18.207 610 HZ3 LYS 82 HZ3 LYS 82 107.591 11.844 17.750 611 H LEU 83 HN LEU 83 112.514 10.592 15.599 612 HA LEU 83 HA LEU 83 113.748 12.061 13.362 613 HB2 LEU 83 HB2 LEU 83 111.802 9.738 13.383 614 HB3 LEU 83 HB1 LEU 83 112.597 10.387 11.949 615 HG LEU 83 HG LEU 83 114.016 9.212 14.360 616 HD11 LEU 83 HD11 LEU 83 114.427 7.287 13.035 617 HD12 LEU 83 HD12 LEU 83 113.918 8.098 11.554 618 HD13 LEU 83 HD13 LEU 83 112.720 7.649 12.768 619 HD21 LEU 83 HD21 LEU 83 114.918 10.597 11.854 620 HD22 LEU 83 HD22 LEU 83 115.909 9.287 12.497 621 HD23 LEU 83 HD23 LEU 83 115.572 10.705 13.488 622 H THR 84 HN THR 84 112.344 12.878 11.578 623 HA THR 84 HA THR 84 109.675 13.821 12.562 624 HB THR 84 HB THR 84 110.092 15.994 11.516 625 HG1 THR 84 HG1 THR 84 112.768 15.558 11.126 626 HG21 THR 84 HG21 THR 84 111.496 16.856 13.167 627 HG22 THR 84 HG22 THR 84 112.576 15.463 13.115 628 HG23 THR 84 HG23 THR 84 110.994 15.325 13.884 629 H ASN 85 HN ASN 85 108.203 14.406 10.735 630 HA ASN 85 HA ASN 85 107.136 13.794 8.735 631 HB2 ASN 85 HB2 ASN 85 110.026 13.873 7.825 632 HB3 ASN 85 HB1 ASN 85 108.660 13.686 6.728 633 HD21 ASN 85 HD21 ASN 85 110.679 16.013 8.016 634 HD22 ASN 85 HD22 ASN 85 109.664 17.364 7.876 635 H ILE 86 HN ILE 86 107.306 11.681 10.420 636 HA ILE 86 HA ILE 86 108.632 9.408 9.155 637 HB ILE 86 HB ILE 86 106.678 9.597 11.463 638 HG12 ILE 86 HG12 ILE 86 109.652 9.014 11.460 639 HG13 ILE 86 HG11 ILE 86 108.988 10.631 11.696 640 HG21 ILE 86 HG21 ILE 86 106.409 7.385 10.795 641 HG22 ILE 86 HG22 ILE 86 107.795 7.239 11.876 642 HG23 ILE 86 HG23 ILE 86 108.038 7.282 10.129 643 HD11 ILE 86 HD11 ILE 86 107.956 10.043 13.730 644 HD12 ILE 86 HD12 ILE 86 109.508 9.209 13.806 645 HD13 ILE 86 HD13 ILE 86 108.046 8.317 13.382 646 H ILE 87 HN ILE 87 107.743 8.030 7.693 647 HA ILE 87 HA ILE 87 104.780 8.137 7.252 648 HB ILE 87 HB ILE 87 106.934 7.845 5.128 649 HG12 ILE 87 HG12 ILE 87 106.557 10.162 6.260 650 HG13 ILE 87 HG11 ILE 87 106.541 10.082 4.500 651 HG21 ILE 87 HG21 ILE 87 105.059 6.690 4.313 652 HG22 ILE 87 HG22 ILE 87 104.821 8.315 3.670 653 HG23 ILE 87 HG23 ILE 87 103.924 7.792 5.095 654 HD11 ILE 87 HD11 ILE 87 104.272 10.450 4.363 655 HD12 ILE 87 HD12 ILE 87 104.595 11.311 5.866 656 HD13 ILE 87 HD13 ILE 87 103.936 9.680 5.908 657 H MET 88 HN MET 88 103.887 6.123 7.559 658 HA MET 88 HA MET 88 105.657 3.746 7.071 659 HB2 MET 88 HB2 MET 88 103.444 3.978 9.132 660 HB3 MET 88 HB1 MET 88 104.529 2.608 8.898 661 HG2 MET 88 HG2 MET 88 106.461 4.043 9.462 662 HG3 MET 88 HG1 MET 88 105.372 5.405 9.713 663 HE1 MET 88 HE1 MET 88 107.052 2.393 10.929 664 HE2 MET 88 HE2 MET 88 105.531 1.520 10.761 665 HE3 MET 88 HE3 MET 88 106.199 1.811 12.365 666 H ASP 89 HN ASP 89 104.930 3.027 5.105 667 HA ASP 89 HA ASP 89 101.968 2.682 4.760 668 HB2 ASP 89 HB2 ASP 89 103.192 4.145 3.091 669 HB3 ASP 89 HB1 ASP 89 104.078 2.706 2.589 670 H HIS 90 HN HIS 90 101.642 0.609 5.569 671 HA HIS 90 HA HIS 90 103.538 -1.540 5.166 672 HB2 HIS 90 HB2 HIS 90 100.649 -1.551 6.066 673 HB3 HIS 90 HB1 HIS 90 101.695 -2.971 6.072 674 HD1 HIS 90 HD1 HIS 90 103.958 -2.711 7.559 675 HD2 HIS 90 HD2 HIS 90 100.936 0.064 8.311 676 HE1 HIS 90 HE1 HIS 90 104.489 -1.662 9.805 677 HE2 HIS 90 HE2 HIS 90 102.655 0.028 10.272 678 H TYR 91 HN TYR 91 100.567 -0.534 3.507 679 HA TYR 91 HA TYR 91 100.239 -2.865 1.904 680 HB2 TYR 91 HB2 TYR 91 98.500 -1.154 2.012 681 HB3 TYR 91 HB1 TYR 91 99.576 0.022 1.255 682 HD1 TYR 91 HD1 TYR 91 97.863 -3.247 0.710 683 HD2 TYR 91 HD2 TYR 91 99.824 0.117 -1.101 684 HE1 TYR 91 HE1 TYR 91 97.172 -4.051 -1.533 685 HE2 TYR 91 HE2 TYR 91 99.134 -0.686 -3.344 686 HH TYR 91 HH TYR 91 98.047 -3.766 -3.936 687 H ASN 92 HN ASN 92 102.078 0.135 1.260 688 HA ASN 92 HA ASN 92 103.186 -1.074 -1.197 689 HB2 ASN 92 HB2 ASN 92 103.453 1.630 0.117 690 HB3 ASN 92 HB1 ASN 92 104.476 1.157 -1.242 691 HD21 ASN 92 HD21 ASN 92 102.616 3.309 -1.502 692 HD22 ASN 92 HD22 ASN 92 101.386 2.834 -2.571 693 H ASN 93 HN ASN 93 103.837 -1.203 2.062 694 HA ASN 93 HA ASN 93 105.711 -1.883 3.297 695 HB2 ASN 93 HB2 ASN 93 106.349 -3.021 0.565 696 HB3 ASN 93 HB1 ASN 93 107.305 -3.373 2.006 697 HD21 ASN 93 HD21 ASN 93 105.856 -5.437 0.616 698 HD22 ASN 93 HD22 ASN 93 104.611 -5.984 1.632 699 H THR 94 HN THR 94 105.900 0.790 2.599 700 HA THR 94 HA THR 94 108.830 1.054 2.097 701 HB THR 94 HB THR 94 107.736 1.732 0.032 702 HG1 THR 94 HG1 THR 94 109.302 3.202 1.410 703 HG21 THR 94 HG21 THR 94 106.054 3.558 0.055 704 HG22 THR 94 HG22 THR 94 106.073 3.528 1.819 705 HG23 THR 94 HG23 THR 94 105.499 2.127 0.918 706 H PHE 95 HN PHE 95 109.849 2.503 3.457 707 HA PHE 95 HA PHE 95 108.093 4.076 5.323 708 HB2 PHE 95 HB2 PHE 95 110.645 2.589 6.026 709 HB3 PHE 95 HB1 PHE 95 109.664 3.546 7.134 710 HD1 PHE 95 HD1 PHE 95 109.698 0.506 5.007 711 HD2 PHE 95 HD2 PHE 95 107.639 2.682 8.080 712 HE1 PHE 95 HE1 PHE 95 108.258 -1.466 5.437 713 HE2 PHE 95 HE2 PHE 95 106.193 0.714 8.509 714 HZ PHE 95 HZ PHE 95 106.502 -1.361 7.185 715 H TYR 96 HN TYR 96 108.777 6.175 5.739 716 HA TYR 96 HA TYR 96 111.473 6.992 4.750 717 HB2 TYR 96 HB2 TYR 96 108.913 8.536 4.223 718 HB3 TYR 96 HB1 TYR 96 110.534 8.986 3.705 719 HD1 TYR 96 HD2 TYR 96 111.656 7.807 1.877 720 HD2 TYR 96 HD1 TYR 96 107.703 6.713 3.148 721 HE1 TYR 96 HE2 TYR 96 111.349 6.497 -0.204 722 HE2 TYR 96 HE1 TYR 96 107.396 5.401 1.066 723 HH TYR 96 HH TYR 96 108.493 4.482 -0.704 724 H SER 97 HN SER 97 112.363 8.756 5.930 725 HA SER 97 HA SER 97 110.745 10.115 7.970 726 HB2 SER 97 HB2 SER 97 111.810 9.274 9.888 727 HB3 SER 97 HB1 SER 97 111.619 7.827 8.903 728 HG SER 97 HG SER 97 113.753 8.096 9.750 729 H ARG 98 HN ARG 98 111.969 11.909 8.958 730 HA ARG 98 HA ARG 98 114.217 12.785 7.197 731 HB2 ARG 98 HB2 ARG 98 112.145 14.246 8.807 732 HB3 ARG 98 HB1 ARG 98 113.667 15.045 8.426 733 HG2 ARG 98 HG2 ARG 98 112.190 13.664 6.212 734 HG3 ARG 98 HG1 ARG 98 111.579 15.217 6.778 735 HD2 ARG 98 HD2 ARG 98 113.882 16.175 6.464 736 HD3 ARG 98 HD1 ARG 98 114.377 14.644 5.756 737 HE ARG 98 HE ARG 98 112.103 15.424 4.316 738 HH11 ARG 98 HH21 ARG 98 115.137 16.866 5.129 739 HH12 ARG 98 HH22 ARG 98 115.312 17.658 3.598 740 HH21 ARG 98 HH11 ARG 98 112.325 16.446 2.325 741 HH22 ARG 98 HH12 ARG 98 113.725 17.417 2.011 742 H LEU 99 HN LEU 99 116.203 13.211 8.060 743 HA LEU 99 HA LEU 99 116.687 12.316 10.817 744 HB2 LEU 99 HB2 LEU 99 118.488 13.137 8.546 745 HB3 LEU 99 HB1 LEU 99 119.110 12.816 10.157 746 HG LEU 99 HG LEU 99 117.490 10.856 8.520 747 HD11 LEU 99 HD11 LEU 99 119.849 9.675 8.647 748 HD12 LEU 99 HD12 LEU 99 120.437 11.322 8.866 749 HD13 LEU 99 HD13 LEU 99 119.537 10.895 7.411 750 HD21 LEU 99 HD21 LEU 99 118.635 10.873 11.287 751 HD22 LEU 99 HD22 LEU 99 118.715 9.360 10.384 752 HD23 LEU 99 HD23 LEU 99 117.156 10.119 10.691 753 HA PRO 100 HA PRO 100 116.520 16.396 12.676 754 HB2 PRO 100 HB2 PRO 100 118.986 15.449 14.094 755 HB3 PRO 100 HB1 PRO 100 117.521 16.194 14.763 756 HG2 PRO 100 HG2 PRO 100 117.996 13.572 14.954 757 HG3 PRO 100 HG1 PRO 100 116.362 14.223 14.766 758 HD2 PRO 100 HD2 PRO 100 118.016 12.742 12.802 759 HD3 PRO 100 HD1 PRO 100 116.250 12.929 12.897 760 H SER 101 HN SER 101 117.745 18.387 12.538 761 HA SER 101 HA SER 101 119.479 18.589 10.287 762 HB2 SER 101 HB2 SER 101 118.969 20.477 12.592 763 HB3 SER 101 HB1 SER 101 119.980 20.892 11.212 764 HG SER 101 HG SER 101 117.389 21.099 11.380 765 H LEU 102 HN LEU 102 120.144 18.289 13.750 766 HA LEU 102 HA LEU 102 123.072 18.215 13.117 767 HB2 LEU 102 HB2 LEU 102 122.412 19.963 14.710 768 HB3 LEU 102 HB1 LEU 102 121.650 18.752 15.740 769 HG LEU 102 HG LEU 102 123.814 17.653 16.090 770 HD11 LEU 102 HD11 LEU 102 125.839 19.117 15.248 771 HD12 LEU 102 HD12 LEU 102 124.678 19.673 14.042 772 HD13 LEU 102 HD13 LEU 102 125.080 17.959 14.155 773 HD21 LEU 102 HD21 LEU 102 123.028 19.745 17.414 774 HD22 LEU 102 HD22 LEU 102 124.272 20.607 16.508 775 HD23 LEU 102 HD23 LEU 102 124.718 19.266 17.563 776 H ILE 103 HN ILE 103 124.152 16.326 13.402 777 HA ILE 103 HA ILE 103 123.086 14.288 15.264 778 HB ILE 103 HB ILE 103 123.602 13.779 12.318 779 HG12 ILE 103 HG12 ILE 103 121.138 13.261 14.009 780 HG13 ILE 103 HG11 ILE 103 121.346 14.685 12.993 781 HG21 ILE 103 HG21 ILE 103 123.319 11.921 14.677 782 HG22 ILE 103 HG22 ILE 103 124.524 11.890 13.390 783 HG23 ILE 103 HG23 ILE 103 122.863 11.398 13.055 784 HD11 ILE 103 HD11 ILE 103 121.068 13.524 11.051 785 HD12 ILE 103 HD12 ILE 103 120.169 12.434 12.109 786 HD13 ILE 103 HD13 ILE 103 121.837 12.066 11.679 787 H SER 104 HN SER 104 124.903 14.276 16.568 788 HA SER 104 HA SER 104 127.559 13.965 15.215 789 HB2 SER 104 HB2 SER 104 127.083 14.800 18.079 790 HB3 SER 104 HB1 SER 104 128.569 14.942 17.146 791 HG SER 104 HG SER 104 127.570 16.480 15.858 792 H ASP 105 HN ASP 105 126.195 11.642 15.264 793 HA ASP 105 HA ASP 105 127.656 10.101 17.332 794 HB2 ASP 105 HB2 ASP 105 124.669 10.134 16.947 795 HB3 ASP 105 HB1 ASP 105 125.483 8.718 17.619 796 H ASN 106 HN ASN 106 127.865 7.831 16.772 797 HA ASN 106 HA ASN 106 127.673 7.379 13.829 798 HB2 ASN 106 HB2 ASN 106 129.349 6.074 15.989 799 HB3 ASN 106 HB1 ASN 106 129.266 5.469 14.334 800 HD21 ASN 106 HD21 ASN 106 131.722 6.439 15.445 801 HD22 ASN 106 HD22 ASN 106 132.153 7.863 14.629 802 H TRP 107 HN TRP 107 125.379 7.113 15.639 803 HA TRP 107 HA TRP 107 124.922 4.385 16.344 804 HB2 TRP 107 HB2 TRP 107 122.541 5.022 16.497 805 HB3 TRP 107 HB1 TRP 107 123.574 6.220 17.274 806 HD1 TRP 107 HD1 TRP 107 124.220 8.395 15.635 807 HE1 TRP 107 HE1 TRP 107 122.703 9.669 14.018 808 HE3 TRP 107 HE3 TRP 107 120.554 4.910 14.983 809 HZ2 TRP 107 HZ2 TRP 107 120.230 9.269 12.618 810 HZ3 TRP 107 HZ3 TRP 107 118.630 5.389 13.500 811 HH2 TRP 107 HH2 TRP 107 118.459 7.558 12.323 812 H LYS 108 HN LYS 108 123.681 2.788 15.298 813 HA LYS 108 HA LYS 108 123.188 3.192 12.380 814 HB2 LYS 108 HB2 LYS 108 125.292 1.952 12.613 815 HB3 LYS 108 HB1 LYS 108 124.518 0.805 13.707 816 HG2 LYS 108 HG2 LYS 108 122.965 0.134 11.893 817 HG3 LYS 108 HG1 LYS 108 123.774 1.259 10.807 818 HD2 LYS 108 HD2 LYS 108 125.364 -0.832 12.261 819 HD3 LYS 108 HD1 LYS 108 124.487 -1.255 10.791 820 HE2 LYS 108 HE2 LYS 108 125.641 0.669 9.643 821 HE3 LYS 108 HE1 LYS 108 126.627 0.871 11.091 822 HZ1 LYS 108 HZ1 LYS 108 126.583 -1.355 9.165 823 HZ2 LYS 108 HZ2 LYS 108 127.081 -1.636 10.764 824 HZ3 LYS 108 HZ3 LYS 108 127.912 -0.513 9.798 825 H PHE 109 HN PHE 109 121.432 1.892 11.546 826 HA PHE 109 HA PHE 109 119.966 0.185 13.458 827 HB2 PHE 109 HB2 PHE 109 117.926 1.419 13.443 828 HB3 PHE 109 HB1 PHE 109 119.183 2.595 13.808 829 HD1 PHE 109 HD2 PHE 109 119.959 4.192 12.080 830 HD2 PHE 109 HD1 PHE 109 116.718 1.469 11.357 831 HE1 PHE 109 HE2 PHE 109 119.272 5.530 10.108 832 HE2 PHE 109 HE1 PHE 109 116.031 2.805 9.386 833 HZ PHE 109 HZ PHE 109 117.309 4.837 8.760 834 H PHE 110 HN PHE 110 118.183 -1.017 12.292 835 HA PHE 110 HA PHE 110 118.268 -0.819 9.354 836 HB2 PHE 110 HB2 PHE 110 118.872 -3.297 9.204 837 HB3 PHE 110 HB1 PHE 110 120.182 -2.210 9.666 838 HD1 PHE 110 HD2 PHE 110 120.670 -1.909 12.166 839 HD2 PHE 110 HD1 PHE 110 118.204 -5.067 10.617 840 HE1 PHE 110 HE2 PHE 110 120.975 -3.178 14.270 841 HE2 PHE 110 HE1 PHE 110 118.514 -6.340 12.724 842 HZ PHE 110 HZ PHE 110 119.901 -5.398 14.551 843 H CYS 111 HN CYS 111 116.798 -2.371 8.311 844 HA CYS 111 HA CYS 111 114.582 -3.317 10.089 845 HB2 CYS 111 HB2 CYS 111 114.342 -1.882 7.425 846 HB3 CYS 111 HB1 CYS 111 113.000 -2.697 8.228 847 H VAL 112 HN VAL 112 113.411 -5.196 9.123 848 HA VAL 112 HA VAL 112 115.084 -6.599 7.057 849 HB VAL 112 HB VAL 112 113.913 -7.677 9.619 850 HG11 VAL 112 HG11 VAL 112 114.859 -9.102 7.126 851 HG12 VAL 112 HG12 VAL 112 113.363 -9.350 8.027 852 HG13 VAL 112 HG13 VAL 112 114.900 -9.881 8.709 853 HG21 VAL 112 HG21 VAL 112 116.181 -6.613 9.653 854 HG22 VAL 112 HG22 VAL 112 116.699 -7.769 8.433 855 HG23 VAL 112 HG23 VAL 112 116.230 -8.334 10.034 856 H CYS 113 HN CYS 113 114.049 -7.630 5.459 857 HA CYS 113 HA CYS 113 111.062 -7.798 5.539 858 HB2 CYS 113 HB2 CYS 113 112.929 -7.224 3.215 859 HB3 CYS 113 HB1 CYS 113 111.234 -7.658 3.004 860 H SER 114 HN SER 114 110.335 -9.963 5.294 861 HA SER 114 HA SER 114 111.867 -11.874 3.737 862 HB2 SER 114 HB2 SER 114 112.448 -13.343 5.687 863 HB3 SER 114 HB1 SER 114 113.346 -11.827 5.644 864 HG SER 114 HG SER 114 111.158 -11.293 6.943 865 H LYS 115 HN LYS 115 111.091 -14.200 4.370 866 HA LYS 115 HA LYS 115 108.383 -14.419 5.438 867 HB2 LYS 115 HB2 LYS 115 108.934 -14.788 2.485 868 HB3 LYS 115 HB1 LYS 115 107.534 -15.497 3.286 869 HG2 LYS 115 HG2 LYS 115 107.131 -13.040 4.134 870 HG3 LYS 115 HG1 LYS 115 108.165 -12.609 2.774 871 HD2 LYS 115 HD2 LYS 115 105.609 -14.241 2.639 872 HD3 LYS 115 HD1 LYS 115 105.822 -12.590 2.056 873 HE2 LYS 115 HE2 LYS 115 107.551 -13.408 0.458 874 HE3 LYS 115 HE1 LYS 115 107.237 -15.056 1.001 875 HZ1 LYS 115 HZ1 LYS 115 106.021 -14.343 -1.046 876 HZ2 LYS 115 HZ2 LYS 115 105.120 -13.285 -0.068 877 HZ3 LYS 115 HZ3 LYS 115 105.044 -14.963 0.194 878 H ASP 116 HN ASP 116 107.711 -16.826 5.276 879 HA ASP 116 HA ASP 116 109.826 -18.479 6.227 880 HB2 ASP 116 HB2 ASP 116 108.256 -20.344 5.960 881 HB3 ASP 116 HB1 ASP 116 107.409 -18.941 6.614 882 H ASN 117 HN ASN 117 110.956 -20.216 5.156 883 HA ASN 117 HA ASN 117 112.342 -20.896 3.345 884 HB2 ASN 117 HB2 ASN 117 110.174 -22.178 3.095 885 HB3 ASN 117 HB1 ASN 117 109.659 -20.953 1.935 886 HD21 ASN 117 HD21 ASN 117 109.793 -23.371 0.780 887 HD22 ASN 117 HD22 ASN 117 111.212 -23.579 -0.130 888 H GLU 118 HN GLU 118 112.827 -18.304 3.400 889 HA GLU 118 HA GLU 118 112.941 -17.533 0.588 890 HB2 GLU 118 HB2 GLU 118 111.248 -16.030 2.580 891 HB3 GLU 118 HB1 GLU 118 111.950 -15.201 1.197 892 HG2 GLU 118 HG2 GLU 118 110.080 -17.586 1.087 893 HG3 GLU 118 HG1 GLU 118 109.672 -15.941 0.675 894 H LYS 119 HN LYS 119 114.747 -16.284 0.192 895 HA LYS 119 HA LYS 119 116.772 -16.002 2.138 896 HB2 LYS 119 HB2 LYS 119 116.255 -14.455 -0.418 897 HB3 LYS 119 HB1 LYS 119 117.721 -14.258 0.543 898 HG2 LYS 119 HG2 LYS 119 118.184 -16.686 0.303 899 HG3 LYS 119 HG1 LYS 119 116.743 -16.847 -0.701 900 HD2 LYS 119 HD2 LYS 119 117.677 -15.314 -2.357 901 HD3 LYS 119 HD1 LYS 119 119.085 -15.027 -1.335 902 HE2 LYS 119 HE2 LYS 119 119.677 -16.659 -3.043 903 HE3 LYS 119 HE1 LYS 119 119.627 -17.466 -1.477 904 HZ1 LYS 119 HZ1 LYS 119 118.430 -18.866 -2.862 905 HZ2 LYS 119 HZ2 LYS 119 117.665 -17.588 -3.680 906 HZ3 LYS 119 HZ3 LYS 119 117.214 -17.973 -2.088 907 H LYS 120 HN LYS 120 117.202 -14.431 3.666 908 HA LYS 120 HA LYS 120 115.079 -12.474 4.206 909 HB2 LYS 120 HB2 LYS 120 116.692 -11.928 6.186 910 HB3 LYS 120 HB1 LYS 120 115.816 -13.459 6.191 911 HG2 LYS 120 HG2 LYS 120 117.793 -14.580 5.202 912 HG3 LYS 120 HG1 LYS 120 118.667 -13.048 5.238 913 HD2 LYS 120 HD2 LYS 120 118.693 -13.001 7.606 914 HD3 LYS 120 HD1 LYS 120 117.435 -14.231 7.727 915 HE2 LYS 120 HE2 LYS 120 119.941 -14.996 6.294 916 HE3 LYS 120 HE1 LYS 120 120.035 -14.823 8.048 917 HZ1 LYS 120 HZ1 LYS 120 119.234 -16.888 8.087 918 HZ2 LYS 120 HZ2 LYS 120 118.719 -16.834 6.470 919 HZ3 LYS 120 HZ3 LYS 120 117.735 -16.196 7.699 920 H LEU 121 HN LEU 121 115.245 -10.271 4.005 921 HA LEU 121 HA LEU 121 117.733 -9.238 2.694 922 HB2 LEU 121 HB2 LEU 121 114.897 -8.165 2.559 923 HB3 LEU 121 HB1 LEU 121 116.291 -7.489 1.719 924 HG LEU 121 HG LEU 121 115.247 -10.311 1.336 925 HD11 LEU 121 HD11 LEU 121 113.620 -8.973 0.308 926 HD12 LEU 121 HD12 LEU 121 114.756 -9.252 -1.012 927 HD13 LEU 121 HD13 LEU 121 114.785 -7.726 -0.131 928 HD21 LEU 121 HD21 LEU 121 117.541 -8.718 0.226 929 HD22 LEU 121 HD22 LEU 121 116.768 -9.936 -0.786 930 HD23 LEU 121 HD23 LEU 121 117.506 -10.404 0.744 931 H VAL 122 HN VAL 122 118.914 -7.808 3.929 932 HA VAL 122 HA VAL 122 117.531 -6.550 6.264 933 HB VAL 122 HB VAL 122 120.430 -7.282 5.800 934 HG11 VAL 122 HG11 VAL 122 119.130 -5.554 7.913 935 HG12 VAL 122 HG12 VAL 122 120.523 -5.171 6.902 936 HG13 VAL 122 HG13 VAL 122 120.670 -6.369 8.188 937 HG21 VAL 122 HG21 VAL 122 118.410 -8.837 6.745 938 HG22 VAL 122 HG22 VAL 122 118.915 -8.055 8.243 939 HG23 VAL 122 HG23 VAL 122 120.076 -8.982 7.300 940 H PHE 123 HN PHE 123 117.377 -4.384 6.333 941 HA PHE 123 HA PHE 123 118.867 -2.772 4.296 942 HB2 PHE 123 HB2 PHE 123 116.539 -2.439 3.953 943 HB3 PHE 123 HB1 PHE 123 116.202 -2.419 5.683 944 HD1 PHE 123 HD1 PHE 123 118.216 -0.557 3.128 945 HD2 PHE 123 HD2 PHE 123 115.914 -0.367 6.742 946 HE1 PHE 123 HE1 PHE 123 118.445 1.908 3.142 947 HE2 PHE 123 HE2 PHE 123 116.139 2.103 6.759 948 HZ PHE 123 HZ PHE 123 117.405 3.243 4.956 949 H THR 124 HN THR 124 120.579 -1.640 5.208 950 HA THR 124 HA THR 124 120.210 -0.644 8.008 951 HB THR 124 HB THR 124 121.547 -2.808 7.893 952 HG1 THR 124 HG1 THR 124 122.346 -2.041 9.656 953 HG21 THR 124 HG21 THR 124 123.707 -0.989 6.817 954 HG22 THR 124 HG22 THR 124 122.760 -2.055 5.779 955 HG23 THR 124 HG23 THR 124 123.778 -2.735 7.046 956 H VAL 125 HN VAL 125 121.104 1.301 8.477 957 HA VAL 125 HA VAL 125 122.879 2.595 6.469 958 HB VAL 125 HB VAL 125 121.595 4.605 6.419 959 HG11 VAL 125 HG11 VAL 125 119.613 3.899 5.367 960 HG12 VAL 125 HG12 VAL 125 119.409 2.531 6.462 961 HG13 VAL 125 HG13 VAL 125 120.662 2.490 5.221 962 HG21 VAL 125 HG21 VAL 125 119.399 4.606 7.854 963 HG22 VAL 125 HG22 VAL 125 120.932 5.002 8.630 964 HG23 VAL 125 HG23 VAL 125 120.242 3.388 8.813 965 H GLU 126 HN GLU 126 124.175 4.347 7.472 966 HA GLU 126 HA GLU 126 124.227 4.168 10.470 967 HB2 GLU 126 HB2 GLU 126 126.093 2.890 9.446 968 HB3 GLU 126 HB1 GLU 126 126.619 4.352 8.616 969 HG2 GLU 126 HG2 GLU 126 126.945 5.477 10.781 970 HG3 GLU 126 HG1 GLU 126 126.397 4.027 11.624 971 H ALA 127 HN ALA 127 124.865 6.078 11.567 972 HA ALA 127 HA ALA 127 125.445 8.505 10.003 973 HB1 ALA 127 HB1 ALA 127 123.080 8.632 11.857 974 HB2 ALA 127 HB2 ALA 127 122.860 8.112 10.186 975 HB3 ALA 127 HB3 ALA 127 123.511 9.714 10.533 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 115.361 16.136 -5.971 2 H2 GLU 1 HT2 GLU 1 114.970 15.885 -4.336 3 H3 GLU 1 HT3 GLU 1 114.388 14.821 -5.525 4 HA GLU 1 HA GLU 1 116.986 14.596 -5.987 5 HB2 GLU 1 HB2 GLU 1 116.630 15.219 -3.042 6 HB3 GLU 1 HB1 GLU 1 118.054 14.420 -3.708 7 HG2 GLU 1 HG2 GLU 1 118.495 16.351 -5.151 8 HG3 GLU 1 HG1 GLU 1 117.037 17.148 -4.559 9 H LYS 2 HN LYS 2 117.737 12.417 -5.394 10 HA LYS 2 HA LYS 2 115.498 10.576 -5.066 11 HB2 LYS 2 HB2 LYS 2 118.487 10.115 -5.290 12 HB3 LYS 2 HB1 LYS 2 117.290 8.820 -5.226 13 HG2 LYS 2 HG2 LYS 2 116.188 9.746 -7.241 14 HG3 LYS 2 HG1 LYS 2 117.407 11.017 -7.315 15 HD2 LYS 2 HD2 LYS 2 119.175 9.332 -7.597 16 HD3 LYS 2 HD1 LYS 2 117.975 8.046 -7.481 17 HE2 LYS 2 HE2 LYS 2 118.489 8.486 -9.834 18 HE3 LYS 2 HE1 LYS 2 116.824 8.953 -9.484 19 HZ1 LYS 2 HZ1 LYS 2 118.778 10.539 -10.581 20 HZ2 LYS 2 HZ2 LYS 2 118.634 11.090 -8.980 21 HZ3 LYS 2 HZ3 LYS 2 117.271 11.050 -9.994 22 H VAL 3 HN VAL 3 115.221 9.106 -3.306 23 HA VAL 3 HA VAL 3 116.196 10.179 -0.732 24 HB VAL 3 HB VAL 3 114.190 7.999 -1.369 25 HG11 VAL 3 HG11 VAL 3 114.758 7.439 0.791 26 HG12 VAL 3 HG12 VAL 3 113.604 8.723 1.150 27 HG13 VAL 3 HG13 VAL 3 115.335 9.059 1.177 28 HG21 VAL 3 HG21 VAL 3 113.758 10.526 -1.933 29 HG22 VAL 3 HG22 VAL 3 113.573 10.695 -0.187 30 HG23 VAL 3 HG23 VAL 3 112.514 9.607 -1.084 31 H LYS 4 HN LYS 4 117.676 9.120 0.574 32 HA LYS 4 HA LYS 4 119.206 6.940 -0.567 33 HB2 LYS 4 HB2 LYS 4 119.138 7.899 2.317 34 HB3 LYS 4 HB1 LYS 4 120.409 6.938 1.564 35 HG2 LYS 4 HG2 LYS 4 119.629 9.691 0.584 36 HG3 LYS 4 HG1 LYS 4 120.917 9.415 1.757 37 HD2 LYS 4 HD2 LYS 4 122.044 7.916 0.117 38 HD3 LYS 4 HD1 LYS 4 120.796 8.300 -1.063 39 HE2 LYS 4 HE2 LYS 4 121.383 10.676 -0.954 40 HE3 LYS 4 HE1 LYS 4 122.633 10.315 0.238 41 HZ1 LYS 4 HZ1 LYS 4 123.754 10.369 -1.785 42 HZ2 LYS 4 HZ2 LYS 4 122.526 9.532 -2.609 43 HZ3 LYS 4 HZ3 LYS 4 123.523 8.712 -1.504 44 H GLY 5 HN GLY 5 118.643 4.835 -0.564 45 HA2 GLY 5 HA2 GLY 5 117.612 3.460 1.710 46 HA3 GLY 5 HA1 GLY 5 116.266 3.871 0.650 47 H CYS 6 HN CYS 6 116.619 1.251 0.940 48 HA CYS 6 HA CYS 6 118.150 0.374 -1.486 49 HB2 CYS 6 HB2 CYS 6 118.751 -0.527 0.871 50 HB3 CYS 6 HB1 CYS 6 117.253 -1.442 0.748 51 H ASP 7 HN ASP 7 116.923 -0.383 -3.143 52 HA ASP 7 HA ASP 7 114.047 -0.987 -2.572 53 HB2 ASP 7 HB2 ASP 7 114.666 0.809 -4.267 54 HB3 ASP 7 HB1 ASP 7 115.318 -0.485 -5.273 55 H PHE 8 HN PHE 8 113.809 -3.157 -2.234 56 HA PHE 8 HA PHE 8 115.544 -5.071 -3.681 57 HB2 PHE 8 HB2 PHE 8 113.325 -5.470 -1.651 58 HB3 PHE 8 HB1 PHE 8 114.288 -6.775 -2.339 59 HD1 PHE 8 HD2 PHE 8 116.733 -6.909 -1.881 60 HD2 PHE 8 HD1 PHE 8 114.219 -3.993 0.025 61 HE1 PHE 8 HE2 PHE 8 118.495 -6.497 -0.185 62 HE2 PHE 8 HE1 PHE 8 115.981 -3.583 1.722 63 HZ PHE 8 HZ PHE 8 118.119 -4.835 1.616 64 H THR 9 HN THR 9 112.830 -3.378 -4.413 65 HA THR 9 HA THR 9 111.501 -5.606 -5.874 66 HB THR 9 HB THR 9 110.587 -2.742 -5.484 67 HG1 THR 9 HG1 THR 9 110.256 -5.104 -4.002 68 HG21 THR 9 HG21 THR 9 108.343 -3.898 -5.987 69 HG22 THR 9 HG22 THR 9 109.313 -5.236 -6.602 70 HG23 THR 9 HG23 THR 9 109.438 -3.642 -7.346 71 H THR 10 HN THR 10 113.630 -2.948 -6.452 72 HA THR 10 HA THR 10 113.583 -3.542 -9.320 73 HB THR 10 HB THR 10 112.958 -0.707 -8.489 74 HG1 THR 10 HG1 THR 10 111.113 -1.612 -7.950 75 HG21 THR 10 HG21 THR 10 113.959 -1.479 -10.794 76 HG22 THR 10 HG22 THR 10 112.638 -0.312 -10.763 77 HG23 THR 10 HG23 THR 10 112.308 -2.009 -11.114 78 H SER 11 HN SER 11 115.641 -3.321 -10.077 79 HA SER 11 HA SER 11 117.726 -2.287 -8.348 80 HB2 SER 11 HB2 SER 11 119.208 -2.710 -10.288 81 HB3 SER 11 HB1 SER 11 118.163 -4.088 -9.966 82 HG SER 11 HG SER 11 118.409 -2.818 -12.213 83 H GLU 12 HN GLU 12 115.670 -0.938 -10.778 84 HA GLU 12 HA GLU 12 117.274 1.595 -10.751 85 HB2 GLU 12 HB2 GLU 12 115.294 0.556 -12.806 86 HB3 GLU 12 HB1 GLU 12 116.081 2.131 -12.875 87 HG2 GLU 12 HG2 GLU 12 117.507 0.859 -14.207 88 HG3 GLU 12 HG1 GLU 12 118.290 0.713 -12.634 89 H SER 13 HN SER 13 116.106 1.888 -8.609 90 HA SER 13 HA SER 13 113.241 2.244 -8.590 91 HB2 SER 13 HB2 SER 13 115.203 3.511 -6.671 92 HB3 SER 13 HB1 SER 13 113.524 3.073 -6.368 93 HG SER 13 HG SER 13 114.765 0.911 -7.233 94 H THR 14 HN THR 14 112.065 4.205 -8.494 95 HA THR 14 HA THR 14 113.400 6.472 -9.905 96 HB THR 14 HB THR 14 111.441 5.901 -11.084 97 HG1 THR 14 HG1 THR 14 110.084 7.632 -9.439 98 HG21 THR 14 HG21 THR 14 109.235 5.683 -9.654 99 HG22 THR 14 HG22 THR 14 110.361 5.325 -8.344 100 HG23 THR 14 HG23 THR 14 110.337 4.313 -9.789 101 H ILE 15 HN ILE 15 112.761 5.469 -6.846 102 HA ILE 15 HA ILE 15 112.491 8.278 -5.852 103 HB ILE 15 HB ILE 15 111.327 7.217 -3.844 104 HG12 ILE 15 HG12 ILE 15 110.846 4.952 -5.792 105 HG13 ILE 15 HG11 ILE 15 112.099 4.883 -4.556 106 HG21 ILE 15 HG21 ILE 15 110.153 7.322 -6.622 107 HG22 ILE 15 HG22 ILE 15 109.952 8.471 -5.299 108 HG23 ILE 15 HG23 ILE 15 109.156 6.900 -5.229 109 HD11 ILE 15 HD11 ILE 15 110.397 5.270 -2.807 110 HD12 ILE 15 HD12 ILE 15 110.022 3.827 -3.749 111 HD13 ILE 15 HD13 ILE 15 109.144 5.328 -4.046 112 H PHE 16 HN PHE 16 114.125 5.207 -5.636 113 HA PHE 16 HA PHE 16 115.721 6.252 -3.332 114 HB2 PHE 16 HB2 PHE 16 115.214 3.422 -4.272 115 HB3 PHE 16 HB1 PHE 16 116.415 3.838 -3.050 116 HD1 PHE 16 HD2 PHE 16 115.572 5.292 -1.036 117 HD2 PHE 16 HD1 PHE 16 112.997 3.027 -3.625 118 HE1 PHE 16 HE2 PHE 16 113.796 5.332 0.692 119 HE2 PHE 16 HE1 PHE 16 111.221 3.084 -1.904 120 HZ PHE 16 HZ PHE 16 111.618 4.226 0.260 121 H SER 17 HN SER 17 117.934 6.388 -3.516 122 HA SER 17 HA SER 17 119.034 6.517 -6.201 123 HB2 SER 17 HB2 SER 17 121.135 7.131 -5.040 124 HB3 SER 17 HB1 SER 17 119.767 8.084 -4.473 125 HG SER 17 HG SER 17 120.769 7.354 -2.663 126 H LYS 18 HN LYS 18 118.923 4.036 -3.751 127 HA LYS 18 HA LYS 18 120.933 2.466 -5.344 128 HB2 LYS 18 HB2 LYS 18 120.217 2.135 -2.420 129 HB3 LYS 18 HB1 LYS 18 121.473 1.270 -3.302 130 HG2 LYS 18 HG2 LYS 18 121.421 4.277 -2.944 131 HG3 LYS 18 HG1 LYS 18 122.362 3.178 -1.937 132 HD2 LYS 18 HD2 LYS 18 123.361 2.305 -4.154 133 HD3 LYS 18 HD1 LYS 18 122.691 3.767 -4.879 134 HE2 LYS 18 HE2 LYS 18 123.933 5.156 -3.286 135 HE3 LYS 18 HE1 LYS 18 124.591 3.708 -2.522 136 HZ1 LYS 18 HZ1 LYS 18 125.251 3.234 -5.032 137 HZ2 LYS 18 HZ2 LYS 18 126.254 4.106 -3.973 138 HZ3 LYS 18 HZ3 LYS 18 125.263 4.929 -5.080 139 H GLY 19 HN GLY 19 120.184 0.698 -6.337 140 HA2 GLY 19 HA2 GLY 19 117.703 -0.594 -5.266 141 HA3 GLY 19 HA1 GLY 19 117.867 -0.256 -6.990 142 H TYR 20 HN TYR 20 117.563 -2.876 -5.732 143 HA TYR 20 HA TYR 20 120.191 -4.113 -6.489 144 HB2 TYR 20 HB2 TYR 20 118.152 -4.858 -4.400 145 HB3 TYR 20 HB1 TYR 20 119.261 -6.061 -5.051 146 HD1 TYR 20 HD1 TYR 20 119.299 -2.570 -3.674 147 HD2 TYR 20 HD2 TYR 20 121.331 -6.334 -4.025 148 HE1 TYR 20 HE1 TYR 20 121.082 -1.752 -2.154 149 HE2 TYR 20 HE2 TYR 20 123.114 -5.519 -2.508 150 HH TYR 20 HH TYR 20 124.000 -2.999 -1.904 151 H SER 21 HN SER 21 120.122 -5.871 -7.908 152 HA SER 21 HA SER 21 117.554 -6.203 -9.365 153 HB2 SER 21 HB2 SER 21 119.557 -5.721 -10.714 154 HB3 SER 21 HB1 SER 21 120.369 -7.122 -10.030 155 HG SER 21 HG SER 21 118.750 -8.421 -10.963 156 H ILE 22 HN ILE 22 116.724 -8.359 -9.788 157 HA ILE 22 HA ILE 22 116.568 -10.074 -7.608 158 HB ILE 22 HB ILE 22 115.835 -11.829 -9.187 159 HG12 ILE 22 HG12 ILE 22 116.688 -9.869 -11.340 160 HG13 ILE 22 HG11 ILE 22 117.575 -11.336 -10.928 161 HG21 ILE 22 HG21 ILE 22 114.246 -10.083 -8.580 162 HG22 ILE 22 HG22 ILE 22 114.032 -10.494 -10.281 163 HG23 ILE 22 HG23 ILE 22 114.891 -9.021 -9.831 164 HD11 ILE 22 HD11 ILE 22 116.196 -11.945 -12.767 165 HD12 ILE 22 HD12 ILE 22 114.796 -11.114 -12.089 166 HD13 ILE 22 HD13 ILE 22 115.386 -12.599 -11.343 167 H ASN 23 HN ASN 23 119.077 -9.948 -10.095 168 HA ASN 23 HA ASN 23 120.326 -12.448 -9.400 169 HB2 ASN 23 HB2 ASN 23 120.765 -11.327 -11.545 170 HB3 ASN 23 HB1 ASN 23 121.497 -9.966 -10.693 171 HD21 ASN 23 HD21 ASN 23 123.090 -11.350 -12.536 172 HD22 ASN 23 HD22 ASN 23 124.259 -12.266 -11.713 173 H GLU 24 HN GLU 24 121.027 -9.061 -8.489 174 HA GLU 24 HA GLU 24 123.271 -9.472 -6.885 175 HB2 GLU 24 HB2 GLU 24 120.948 -7.579 -6.410 176 HB3 GLU 24 HB1 GLU 24 122.508 -7.474 -5.592 177 HG2 GLU 24 HG2 GLU 24 122.117 -7.345 -8.595 178 HG3 GLU 24 HG1 GLU 24 122.383 -5.949 -7.552 179 H ILE 25 HN ILE 25 119.838 -9.709 -5.858 180 HA ILE 25 HA ILE 25 120.507 -10.479 -3.160 181 HB ILE 25 HB ILE 25 118.142 -11.227 -3.019 182 HG12 ILE 25 HG12 ILE 25 118.000 -10.442 -5.933 183 HG13 ILE 25 HG11 ILE 25 118.090 -12.116 -5.391 184 HG21 ILE 25 HG21 ILE 25 118.663 -8.860 -2.708 185 HG22 ILE 25 HG22 ILE 25 117.138 -9.016 -3.578 186 HG23 ILE 25 HG23 ILE 25 118.611 -8.593 -4.451 187 HD11 ILE 25 HD11 ILE 25 116.035 -11.733 -4.018 188 HD12 ILE 25 HD12 ILE 25 115.749 -11.524 -5.746 189 HD13 ILE 25 HD13 ILE 25 115.919 -10.112 -4.703 190 H SER 26 HN SER 26 120.128 -12.279 -6.158 191 HA SER 26 HA SER 26 120.187 -14.875 -4.789 192 HB2 SER 26 HB2 SER 26 120.103 -15.833 -6.995 193 HB3 SER 26 HB1 SER 26 119.019 -14.445 -7.001 194 HG SER 26 HG SER 26 120.729 -14.761 -8.751 195 H ASN 27 HN ASN 27 122.467 -12.549 -5.561 196 HA ASN 27 HA ASN 27 124.696 -14.202 -6.370 197 HB2 ASN 27 HB2 ASN 27 124.551 -11.667 -6.559 198 HB3 ASN 27 HB1 ASN 27 124.866 -11.600 -4.825 199 HD21 ASN 27 HD21 ASN 27 127.010 -10.747 -4.896 200 HD22 ASN 27 HD22 ASN 27 128.308 -11.567 -5.622 201 H LYS 28 HN LYS 28 123.614 -15.718 -4.448 202 HA LYS 28 HA LYS 28 124.689 -15.183 -1.805 203 HB2 LYS 28 HB2 LYS 28 123.892 -17.482 -1.294 204 HB3 LYS 28 HB1 LYS 28 122.643 -16.514 -2.075 205 HG2 LYS 28 HG2 LYS 28 123.292 -17.522 -4.267 206 HG3 LYS 28 HG1 LYS 28 124.438 -18.557 -3.414 207 HD2 LYS 28 HD2 LYS 28 122.606 -19.535 -2.100 208 HD3 LYS 28 HD1 LYS 28 121.449 -18.478 -2.909 209 HE2 LYS 28 HE2 LYS 28 121.438 -20.702 -3.952 210 HE3 LYS 28 HE1 LYS 28 122.052 -19.498 -5.085 211 HZ1 LYS 28 HZ1 LYS 28 124.043 -20.462 -5.126 212 HZ2 LYS 28 HZ2 LYS 28 123.304 -21.804 -4.393 213 HZ3 LYS 28 HZ3 LYS 28 124.103 -20.645 -3.441 214 H SER 29 HN SER 29 126.703 -15.128 -3.854 215 HA SER 29 HA SER 29 128.188 -17.639 -3.746 216 HB2 SER 29 HB2 SER 29 128.581 -16.404 -5.717 217 HB3 SER 29 HB1 SER 29 128.748 -14.887 -4.836 218 HG SER 29 HG SER 29 130.679 -15.745 -3.933 219 H SER 30 HN SER 30 129.100 -14.356 -2.689 220 HA SER 30 HA SER 30 131.213 -15.166 -0.983 221 HB2 SER 30 HB2 SER 30 129.385 -12.774 -0.631 222 HB3 SER 30 HB1 SER 30 130.982 -12.967 0.085 223 HG SER 30 HG SER 30 130.897 -13.379 -2.630 224 H ASN 31 HN ASN 31 130.883 -14.422 1.568 225 HA ASN 31 HA ASN 31 129.453 -16.574 2.768 226 HB2 ASN 31 HB2 ASN 31 130.539 -13.972 3.848 227 HB3 ASN 31 HB1 ASN 31 129.691 -15.118 4.887 228 HD21 ASN 31 HD21 ASN 31 132.467 -14.536 5.285 229 HD22 ASN 31 HD22 ASN 31 133.365 -15.928 4.916 230 H ASN 32 HN ASN 32 128.561 -13.181 2.259 231 HA ASN 32 HA ASN 32 126.075 -13.216 3.664 232 HB2 ASN 32 HB2 ASN 32 125.456 -11.285 2.300 233 HB3 ASN 32 HB1 ASN 32 127.155 -11.153 2.754 234 HD21 ASN 32 HD21 ASN 32 126.513 -9.704 0.537 235 HD22 ASN 32 HD22 ASN 32 127.043 -10.468 -0.882 236 H GLN 33 HN GLN 33 125.538 -15.542 2.973 237 HA GLN 33 HA GLN 33 124.650 -16.039 0.280 238 HB2 GLN 33 HB2 GLN 33 123.435 -18.005 1.429 239 HB3 GLN 33 HB1 GLN 33 125.196 -17.972 1.526 240 HG2 GLN 33 HG2 GLN 33 125.116 -17.034 3.760 241 HG3 GLN 33 HG1 GLN 33 123.364 -16.853 3.667 242 HE21 GLN 33 HE21 GLN 33 124.979 -18.529 5.586 243 HE22 GLN 33 HE22 GLN 33 124.401 -20.112 5.389 244 H GLN 34 HN GLN 34 122.173 -17.060 2.305 245 HA GLN 34 HA GLN 34 120.198 -15.457 0.986 246 HB2 GLN 34 HB2 GLN 34 118.715 -16.335 2.892 247 HB3 GLN 34 HB1 GLN 34 119.464 -17.547 1.857 248 HG2 GLN 34 HG2 GLN 34 121.252 -17.867 3.507 249 HG3 GLN 34 HG1 GLN 34 120.547 -16.617 4.532 250 HE21 GLN 34 HE21 GLN 34 119.718 -17.788 6.297 251 HE22 GLN 34 HE22 GLN 34 118.660 -19.108 6.155 252 H ASP 35 HN ASP 35 122.416 -14.064 2.566 253 HA ASP 35 HA ASP 35 120.644 -12.357 4.267 254 HB2 ASP 35 HB2 ASP 35 123.560 -13.096 4.553 255 HB3 ASP 35 HB1 ASP 35 122.844 -11.729 5.406 256 H ILE 36 HN ILE 36 120.110 -10.722 2.819 257 HA ILE 36 HA ILE 36 122.366 -9.472 1.296 258 HB ILE 36 HB ILE 36 119.387 -8.973 1.030 259 HG12 ILE 36 HG12 ILE 36 119.843 -11.294 0.456 260 HG13 ILE 36 HG11 ILE 36 119.617 -10.384 -1.039 261 HG21 ILE 36 HG21 ILE 36 120.899 -7.170 0.222 262 HG22 ILE 36 HG22 ILE 36 120.023 -7.942 -1.099 263 HG23 ILE 36 HG23 ILE 36 121.716 -8.345 -0.810 264 HD11 ILE 36 HD11 ILE 36 122.169 -11.440 0.156 265 HD12 ILE 36 HD12 ILE 36 122.211 -10.074 -0.957 266 HD13 ILE 36 HD13 ILE 36 121.559 -11.623 -1.487 267 H VAL 37 HN VAL 37 123.212 -7.609 2.097 268 HA VAL 37 HA VAL 37 121.527 -6.036 4.013 269 HB VAL 37 HB VAL 37 124.500 -6.561 3.996 270 HG11 VAL 37 HG11 VAL 37 124.422 -5.052 6.070 271 HG12 VAL 37 HG12 VAL 37 122.857 -4.497 5.475 272 HG13 VAL 37 HG13 VAL 37 124.309 -4.241 4.509 273 HG21 VAL 37 HG21 VAL 37 124.127 -7.706 6.003 274 HG22 VAL 37 HG22 VAL 37 122.680 -8.120 5.083 275 HG23 VAL 37 HG23 VAL 37 122.610 -6.862 6.317 276 H CYS 38 HN CYS 38 121.157 -3.950 3.461 277 HA CYS 38 HA CYS 38 122.718 -2.827 1.175 278 HB2 CYS 38 HB2 CYS 38 120.096 -1.911 2.408 279 HB3 CYS 38 HB1 CYS 38 120.885 -1.185 1.006 280 H THR 39 HN THR 39 124.531 -1.898 2.143 281 HA THR 39 HA THR 39 124.146 -0.297 4.601 282 HB THR 39 HB THR 39 126.654 -1.077 3.087 283 HG1 THR 39 HG1 THR 39 126.929 -2.416 4.928 284 HG21 THR 39 HG21 THR 39 126.183 0.549 5.582 285 HG22 THR 39 HG22 THR 39 127.195 0.937 4.191 286 HG23 THR 39 HG23 THR 39 127.700 -0.314 5.326 287 H VAL 40 HN VAL 40 123.754 1.826 4.430 288 HA VAL 40 HA VAL 40 125.092 3.350 2.243 289 HB VAL 40 HB VAL 40 122.954 4.609 1.848 290 HG11 VAL 40 HG11 VAL 40 122.685 1.626 1.375 291 HG12 VAL 40 HG12 VAL 40 123.720 2.682 0.414 292 HG13 VAL 40 HG13 VAL 40 121.972 2.922 0.415 293 HG21 VAL 40 HG21 VAL 40 121.972 3.885 4.090 294 HG22 VAL 40 HG22 VAL 40 121.652 2.319 3.343 295 HG23 VAL 40 HG23 VAL 40 120.878 3.772 2.711 296 H LYS 41 HN LYS 41 125.225 5.673 2.750 297 HA LYS 41 HA LYS 41 125.223 6.113 5.699 298 HB2 LYS 41 HB2 LYS 41 126.568 7.613 3.432 299 HB3 LYS 41 HB1 LYS 41 126.643 8.101 5.125 300 HG2 LYS 41 HG2 LYS 41 127.665 5.944 5.717 301 HG3 LYS 41 HG1 LYS 41 127.573 5.429 4.032 302 HD2 LYS 41 HD2 LYS 41 129.037 7.306 3.378 303 HD3 LYS 41 HD1 LYS 41 129.134 7.817 5.063 304 HE2 LYS 41 HE2 LYS 41 130.142 5.643 5.663 305 HE3 LYS 41 HE1 LYS 41 130.056 5.140 3.975 306 HZ1 LYS 41 HZ1 LYS 41 132.030 6.688 5.243 307 HZ2 LYS 41 HZ2 LYS 41 131.287 7.634 4.043 308 HZ3 LYS 41 HZ3 LYS 41 131.985 6.139 3.639 309 H ALA 42 HN ALA 42 123.835 7.567 6.615 310 HA ALA 42 HA ALA 42 121.942 8.962 4.786 311 HB1 ALA 42 HB1 ALA 42 121.832 8.379 7.760 312 HB2 ALA 42 HB2 ALA 42 120.883 7.601 6.493 313 HB3 ALA 42 HB3 ALA 42 120.610 9.298 6.883 314 H HIS 43 HN HIS 43 121.350 11.227 5.336 315 HA HIS 43 HA HIS 43 123.513 12.690 6.792 316 HB2 HIS 43 HB2 HIS 43 123.677 12.683 4.182 317 HB3 HIS 43 HB1 HIS 43 122.313 13.798 4.264 318 HD1 HIS 43 HD1 HIS 43 125.886 13.447 5.498 319 HD2 HIS 43 HD2 HIS 43 122.988 16.407 5.004 320 HE1 HIS 43 HE1 HIS 43 127.029 15.658 5.976 321 HE2 HIS 43 HE2 HIS 43 125.274 17.465 5.678 322 H ALA 44 HN ALA 44 122.817 14.696 7.705 323 HA ALA 44 HA ALA 44 120.238 14.743 8.829 324 HB1 ALA 44 HB1 ALA 44 120.889 17.399 8.822 325 HB2 ALA 44 HB2 ALA 44 122.465 16.668 8.544 326 HB3 ALA 44 HB3 ALA 44 121.535 16.235 9.977 327 H ASN 45 HN ASN 45 121.316 15.897 5.710 328 HA ASN 45 HA ASN 45 118.687 17.209 5.248 329 HB2 ASN 45 HB2 ASN 45 121.279 17.189 3.676 330 HB3 ASN 45 HB1 ASN 45 119.793 17.933 3.083 331 HD21 ASN 45 HD21 ASN 45 122.147 19.495 3.611 332 HD22 ASN 45 HD22 ASN 45 121.823 20.517 4.927 333 H ASP 46 HN ASP 46 120.550 14.392 4.387 334 HA ASP 46 HA ASP 46 118.996 13.711 2.030 335 HB2 ASP 46 HB2 ASP 46 120.866 12.113 3.797 336 HB3 ASP 46 HB1 ASP 46 120.102 11.455 2.353 337 H LEU 47 HN LEU 47 117.088 12.578 1.935 338 HA LEU 47 HA LEU 47 115.692 11.970 4.432 339 HB2 LEU 47 HB2 LEU 47 114.893 11.237 1.597 340 HB3 LEU 47 HB1 LEU 47 113.840 11.323 3.006 341 HG LEU 47 HG LEU 47 115.365 13.686 1.880 342 HD11 LEU 47 HD11 LEU 47 112.984 14.389 1.210 343 HD12 LEU 47 HD12 LEU 47 112.539 12.701 1.455 344 HD13 LEU 47 HD13 LEU 47 113.739 13.127 0.236 345 HD21 LEU 47 HD21 LEU 47 113.597 14.890 3.310 346 HD22 LEU 47 HD22 LEU 47 114.891 14.072 4.184 347 HD23 LEU 47 HD23 LEU 47 113.301 13.321 4.056 348 H ILE 48 HN ILE 48 115.145 9.829 5.159 349 HA ILE 48 HA ILE 48 116.768 7.652 3.867 350 HB ILE 48 HB ILE 48 116.853 6.651 6.185 351 HG12 ILE 48 HG12 ILE 48 116.096 9.415 7.142 352 HG13 ILE 48 HG11 ILE 48 114.881 8.154 6.940 353 HG21 ILE 48 HG21 ILE 48 118.612 8.213 6.980 354 HG22 ILE 48 HG22 ILE 48 118.076 9.398 5.788 355 HG23 ILE 48 HG23 ILE 48 118.770 7.865 5.258 356 HD11 ILE 48 HD11 ILE 48 115.925 8.354 9.270 357 HD12 ILE 48 HD12 ILE 48 117.397 7.705 8.548 358 HD13 ILE 48 HD13 ILE 48 115.917 6.746 8.550 359 H GLY 49 HN GLY 49 115.757 5.687 3.554 360 HA2 GLY 49 HA2 GLY 49 113.384 4.775 4.816 361 HA3 GLY 49 HA1 GLY 49 112.904 5.629 3.348 362 H PHE 50 HN PHE 50 112.173 3.234 2.938 363 HA PHE 50 HA PHE 50 113.969 2.127 0.972 364 HB2 PHE 50 HB2 PHE 50 114.503 0.010 2.034 365 HB3 PHE 50 HB1 PHE 50 115.068 1.319 3.069 366 HD1 PHE 50 HD2 PHE 50 113.933 1.856 5.171 367 HD2 PHE 50 HD1 PHE 50 112.576 -1.351 2.656 368 HE1 PHE 50 HE2 PHE 50 112.538 0.988 7.029 369 HE2 PHE 50 HE1 PHE 50 111.182 -2.220 4.514 370 HZ PHE 50 HZ PHE 50 111.165 -1.051 6.701 371 H LYS 51 HN LYS 51 113.050 -0.044 0.137 372 HA LYS 51 HA LYS 51 110.151 -0.345 0.729 373 HB2 LYS 51 HB2 LYS 51 110.196 1.267 -1.086 374 HB3 LYS 51 HB1 LYS 51 111.272 0.235 -2.027 375 HG2 LYS 51 HG2 LYS 51 109.522 -1.513 -2.096 376 HG3 LYS 51 HG1 LYS 51 108.452 -0.471 -1.161 377 HD2 LYS 51 HD2 LYS 51 109.670 0.485 -3.745 378 HD3 LYS 51 HD1 LYS 51 108.198 -0.487 -3.748 379 HE2 LYS 51 HE2 LYS 51 107.217 1.186 -2.110 380 HE3 LYS 51 HE1 LYS 51 108.624 2.202 -2.419 381 HZ1 LYS 51 HZ1 LYS 51 106.305 1.818 -4.008 382 HZ2 LYS 51 HZ2 LYS 51 107.706 1.449 -4.895 383 HZ3 LYS 51 HZ3 LYS 51 107.534 2.974 -4.167 384 H CYS 52 HN CYS 52 109.402 -2.440 0.346 385 HA CYS 52 HA CYS 52 111.379 -4.396 -0.748 386 HB2 CYS 52 HB2 CYS 52 109.567 -4.606 1.676 387 HB3 CYS 52 HB1 CYS 52 110.308 -6.017 0.933 388 HA PRO 53 HA PRO 53 108.261 -5.665 -3.603 389 HB2 PRO 53 HB2 PRO 53 108.293 -8.461 -3.129 390 HB3 PRO 53 HB1 PRO 53 109.279 -7.579 -4.309 391 HG2 PRO 53 HG2 PRO 53 109.985 -8.532 -1.594 392 HG3 PRO 53 HG1 PRO 53 110.996 -8.379 -3.039 393 HD2 PRO 53 HD2 PRO 53 111.197 -6.641 -0.999 394 HD3 PRO 53 HD1 PRO 53 111.389 -6.108 -2.680 395 H SER 54 HN SER 54 106.048 -6.014 -3.601 396 HA SER 54 HA SER 54 104.656 -5.936 -1.089 397 HB2 SER 54 HB2 SER 54 103.772 -4.945 -3.186 398 HB3 SER 54 HB1 SER 54 103.560 -6.565 -3.844 399 HG SER 54 HG SER 54 102.364 -6.797 -1.656 400 H ASN 55 HN ASN 55 105.932 -8.577 -2.847 401 HA ASN 55 HA ASN 55 103.913 -10.489 -1.851 402 HB2 ASN 55 HB2 ASN 55 106.490 -10.919 -3.396 403 HB3 ASN 55 HB1 ASN 55 105.306 -12.173 -3.027 404 HD21 ASN 55 HD21 ASN 55 106.233 -10.270 -5.532 405 HD22 ASN 55 HD22 ASN 55 104.744 -10.056 -6.319 406 H TYR 56 HN TYR 56 106.386 -8.926 -0.410 407 HA TYR 56 HA TYR 56 107.191 -11.305 1.224 408 HB2 TYR 56 HB2 TYR 56 108.642 -8.787 0.476 409 HB3 TYR 56 HB1 TYR 56 109.102 -9.688 1.922 410 HD1 TYR 56 HD1 TYR 56 108.333 -10.256 -1.711 411 HD2 TYR 56 HD2 TYR 56 110.626 -11.437 1.719 412 HE1 TYR 56 HE1 TYR 56 109.597 -11.865 -3.111 413 HE2 TYR 56 HE2 TYR 56 111.891 -13.049 0.323 414 HH TYR 56 HH TYR 56 112.224 -13.839 -1.723 415 H SER 57 HN SER 57 107.679 -10.726 3.576 416 HA SER 57 HA SER 57 105.514 -8.910 4.555 417 HB2 SER 57 HB2 SER 57 105.422 -11.240 5.365 418 HB3 SER 57 HB1 SER 57 107.061 -11.092 5.989 419 HG SER 57 HG SER 57 106.346 -9.934 7.610 420 H VAL 58 HN VAL 58 106.053 -7.133 5.833 421 HA VAL 58 HA VAL 58 108.958 -6.544 6.022 422 HB VAL 58 HB VAL 58 108.382 -4.263 6.183 423 HG11 VAL 58 HG11 VAL 58 106.757 -3.903 4.353 424 HG12 VAL 58 HG12 VAL 58 106.256 -5.589 4.474 425 HG13 VAL 58 HG13 VAL 58 107.895 -5.190 3.960 426 HG21 VAL 58 HG21 VAL 58 105.867 -3.665 6.503 427 HG22 VAL 58 HG22 VAL 58 106.793 -4.156 7.919 428 HG23 VAL 58 HG23 VAL 58 105.713 -5.307 7.124 429 H GLU 59 HN GLU 59 109.954 -6.988 7.873 430 HA GLU 59 HA GLU 59 108.467 -6.649 10.434 431 HB2 GLU 59 HB2 GLU 59 110.286 -8.869 9.542 432 HB3 GLU 59 HB1 GLU 59 110.155 -8.477 11.255 433 HG2 GLU 59 HG2 GLU 59 107.818 -9.153 9.444 434 HG3 GLU 59 HG1 GLU 59 108.569 -10.262 10.592 435 HA PRO 60 HA PRO 60 111.999 -3.931 10.967 436 HB2 PRO 60 HB2 PRO 60 111.438 -3.000 13.452 437 HB3 PRO 60 HB1 PRO 60 110.501 -2.506 12.027 438 HG2 PRO 60 HG2 PRO 60 109.837 -4.507 14.128 439 HG3 PRO 60 HG1 PRO 60 108.793 -3.314 13.335 440 HD2 PRO 60 HD2 PRO 60 108.875 -5.981 12.633 441 HD3 PRO 60 HD1 PRO 60 108.391 -4.675 11.527 442 H HIS 61 HN HIS 61 113.961 -4.923 11.315 443 HA HIS 61 HA HIS 61 114.297 -6.767 13.600 444 HB2 HIS 61 HB2 HIS 61 115.282 -7.093 11.220 445 HB3 HIS 61 HB1 HIS 61 116.490 -5.908 11.716 446 HD1 HIS 61 HD1 HIS 61 117.147 -6.640 14.525 447 HD2 HIS 61 HD2 HIS 61 116.451 -9.563 11.630 448 HE1 HIS 61 HE1 HIS 61 118.261 -8.757 15.360 449 HE2 HIS 61 HE2 HIS 61 117.845 -10.542 13.607 450 H ASP 62 HN ASP 62 114.965 -3.518 12.657 451 HA ASP 62 HA ASP 62 115.664 -2.699 15.317 452 HB2 ASP 62 HB2 ASP 62 117.802 -3.819 14.710 453 HB3 ASP 62 HB1 ASP 62 117.952 -2.741 13.322 454 H CYS 63 HN CYS 63 113.844 -1.934 13.264 455 HA CYS 63 HA CYS 63 114.688 0.296 11.714 456 HB2 CYS 63 HB2 CYS 63 111.958 -0.321 12.885 457 HB3 CYS 63 HB1 CYS 63 112.270 0.872 11.625 458 H PHE 64 HN PHE 64 112.710 2.289 12.647 459 HA PHE 64 HA PHE 64 114.289 3.315 14.966 460 HB2 PHE 64 HB2 PHE 64 113.260 5.559 14.172 461 HB3 PHE 64 HB1 PHE 64 114.588 4.858 13.249 462 HD1 PHE 64 HD2 PHE 64 114.105 3.573 11.147 463 HD2 PHE 64 HD1 PHE 64 111.076 5.787 13.236 464 HE1 PHE 64 HE2 PHE 64 112.666 3.506 9.129 465 HE2 PHE 64 HE1 PHE 64 109.635 5.721 11.218 466 HZ PHE 64 HZ PHE 64 110.431 4.581 9.164 467 H VAL 65 HN VAL 65 110.913 3.639 13.718 468 HA VAL 65 HA VAL 65 109.756 4.651 16.052 469 HB VAL 65 HB VAL 65 108.679 2.680 14.028 470 HG11 VAL 65 HG11 VAL 65 107.422 3.670 16.582 471 HG12 VAL 65 HG12 VAL 65 107.421 2.038 15.914 472 HG13 VAL 65 HG13 VAL 65 106.418 3.292 15.181 473 HG21 VAL 65 HG21 VAL 65 107.227 4.640 13.488 474 HG22 VAL 65 HG22 VAL 65 108.942 5.003 13.303 475 HG23 VAL 65 HG23 VAL 65 108.069 5.571 14.728 476 H SER 66 HN SER 66 109.420 1.177 15.333 477 HA SER 66 HA SER 66 110.283 0.567 18.118 478 HB2 SER 66 HB2 SER 66 107.780 0.626 18.035 479 HB3 SER 66 HB1 SER 66 107.824 -0.607 16.778 480 HG SER 66 HG SER 66 109.143 -0.963 19.250 481 H ALA 67 HN ALA 67 111.688 -1.174 18.139 482 HA ALA 67 HA ALA 67 111.517 -3.342 16.240 483 HB1 ALA 67 HB1 ALA 67 112.380 -1.425 14.814 484 HB2 ALA 67 HB2 ALA 67 113.407 -2.855 14.837 485 HB3 ALA 67 HB3 ALA 67 113.833 -1.444 15.807 486 H PHE 68 HN PHE 68 113.793 -4.528 16.254 487 HA PHE 68 HA PHE 68 114.531 -4.803 19.111 488 HB2 PHE 68 HB2 PHE 68 115.568 -6.510 16.849 489 HB3 PHE 68 HB1 PHE 68 115.413 -6.930 18.553 490 HD1 PHE 68 HD1 PHE 68 113.404 -6.025 15.550 491 HD2 PHE 68 HD2 PHE 68 113.466 -8.008 19.347 492 HE1 PHE 68 HE1 PHE 68 111.140 -6.965 15.097 493 HE2 PHE 68 HE2 PHE 68 111.211 -8.941 18.899 494 HZ PHE 68 HZ PHE 68 110.051 -8.413 16.754 495 H ASN 69 HN ASN 69 116.442 -3.954 19.870 496 HA ASN 69 HA ASN 69 118.155 -2.448 18.076 497 HB2 ASN 69 HB2 ASN 69 118.386 -3.187 21.004 498 HB3 ASN 69 HB1 ASN 69 119.582 -2.196 20.167 499 HD21 ASN 69 HD21 ASN 69 117.999 -1.146 22.327 500 HD22 ASN 69 HD22 ASN 69 116.967 0.044 21.695 501 H LEU 70 HN LEU 70 120.709 -2.883 18.615 502 HA LEU 70 HA LEU 70 121.358 -5.295 17.219 503 HB2 LEU 70 HB2 LEU 70 123.048 -3.418 18.900 504 HB3 LEU 70 HB1 LEU 70 123.720 -4.762 17.977 505 HG LEU 70 HG LEU 70 121.950 -2.689 16.671 506 HD11 LEU 70 HD11 LEU 70 124.040 -1.547 15.955 507 HD12 LEU 70 HD12 LEU 70 124.968 -2.621 17.004 508 HD13 LEU 70 HD13 LEU 70 123.820 -1.480 17.703 509 HD21 LEU 70 HD21 LEU 70 122.268 -4.617 15.295 510 HD22 LEU 70 HD22 LEU 70 123.967 -4.751 15.740 511 HD23 LEU 70 HD23 LEU 70 123.430 -3.436 14.698 512 H SER 71 HN SER 71 120.715 -4.635 20.537 513 HA SER 71 HA SER 71 122.097 -7.036 21.528 514 HB2 SER 71 HB2 SER 71 120.172 -5.118 22.878 515 HB3 SER 71 HB1 SER 71 121.018 -6.430 23.693 516 HG SER 71 HG SER 71 121.884 -3.984 23.191 517 H GLY 72 HN GLY 72 119.257 -6.405 19.889 518 HA2 GLY 72 HA2 GLY 72 117.584 -7.956 19.256 519 HA3 GLY 72 HA1 GLY 72 118.227 -9.088 20.449 520 H LYS 73 HN LYS 73 117.646 -5.874 21.552 521 HA LYS 73 HA LYS 73 115.340 -6.883 23.150 522 HB2 LYS 73 HB2 LYS 73 116.971 -4.343 23.487 523 HB3 LYS 73 HB1 LYS 73 115.772 -4.973 24.618 524 HG2 LYS 73 HG2 LYS 73 118.280 -6.465 23.799 525 HG3 LYS 73 HG1 LYS 73 118.135 -5.511 25.275 526 HD2 LYS 73 HD2 LYS 73 116.047 -6.961 25.768 527 HD3 LYS 73 HD1 LYS 73 116.682 -8.047 24.530 528 HE2 LYS 73 HE2 LYS 73 117.553 -8.852 26.598 529 HE3 LYS 73 HE1 LYS 73 118.886 -8.010 25.809 530 HZ1 LYS 73 HZ1 LYS 73 117.840 -7.509 28.316 531 HZ2 LYS 73 HZ2 LYS 73 117.350 -6.200 27.347 532 HZ3 LYS 73 HZ3 LYS 73 118.998 -6.589 27.485 533 H ASN 74 HN ASN 74 113.304 -5.949 22.945 534 HA ASN 74 HA ASN 74 112.892 -4.245 20.586 535 HB2 ASN 74 HB2 ASN 74 111.395 -6.213 21.343 536 HB3 ASN 74 HB1 ASN 74 110.753 -5.087 22.539 537 HD21 ASN 74 HD21 ASN 74 109.197 -6.169 20.308 538 HD22 ASN 74 HD22 ASN 74 108.767 -4.860 19.318 539 H GLU 75 HN GLU 75 113.312 -2.106 20.867 540 HA GLU 75 HA GLU 75 111.906 -0.704 23.069 541 HB2 GLU 75 HB2 GLU 75 114.891 -0.536 22.552 542 HB3 GLU 75 HB1 GLU 75 114.005 0.621 23.545 543 HG2 GLU 75 HG2 GLU 75 113.288 -1.189 25.044 544 HG3 GLU 75 HG1 GLU 75 114.130 -2.369 24.040 545 H ASN 76 HN ASN 76 111.188 1.348 22.442 546 HA ASN 76 HA ASN 76 111.142 1.989 19.676 547 HB2 ASN 76 HB2 ASN 76 110.544 3.531 22.194 548 HB3 ASN 76 HB1 ASN 76 110.489 4.341 20.629 549 HD21 ASN 76 HD21 ASN 76 108.054 4.398 21.595 550 HD22 ASN 76 HD22 ASN 76 107.055 3.145 21.037 551 H LEU 77 HN LEU 77 112.287 3.590 18.476 552 HA LEU 77 HA LEU 77 114.999 4.143 19.561 553 HB2 LEU 77 HB2 LEU 77 114.486 3.131 17.213 554 HB3 LEU 77 HB1 LEU 77 114.091 4.789 16.763 555 HG LEU 77 HG LEU 77 116.358 5.476 17.652 556 HD11 LEU 77 HD11 LEU 77 117.954 3.343 17.531 557 HD12 LEU 77 HD12 LEU 77 116.490 2.507 18.035 558 HD13 LEU 77 HD13 LEU 77 117.159 3.791 19.035 559 HD21 LEU 77 HD21 LEU 77 116.511 3.420 15.440 560 HD22 LEU 77 HD22 LEU 77 117.493 4.871 15.631 561 HD23 LEU 77 HD23 LEU 77 115.785 5.012 15.214 562 H GLU 78 HN GLU 78 112.186 5.665 19.819 563 HA GLU 78 HA GLU 78 112.761 8.315 18.802 564 HB2 GLU 78 HB2 GLU 78 110.896 9.042 20.291 565 HB3 GLU 78 HB1 GLU 78 110.460 7.674 19.270 566 HG2 GLU 78 HG2 GLU 78 109.719 6.804 21.258 567 HG3 GLU 78 HG1 GLU 78 111.407 6.323 21.417 568 H ASN 79 HN ASN 79 113.231 6.760 21.973 569 HA ASN 79 HA ASN 79 114.145 9.122 23.324 570 HB2 ASN 79 HB2 ASN 79 114.592 6.168 23.804 571 HB3 ASN 79 HB1 ASN 79 115.286 7.407 24.850 572 HD21 ASN 79 HD21 ASN 79 113.312 5.545 25.815 573 HD22 ASN 79 HD22 ASN 79 111.900 6.415 26.177 574 H LYS 80 HN LYS 80 115.782 6.636 21.415 575 HA LYS 80 HA LYS 80 118.460 7.582 21.928 576 HB2 LYS 80 HB2 LYS 80 118.148 5.343 21.065 577 HB3 LYS 80 HB1 LYS 80 117.288 5.961 19.659 578 HG2 LYS 80 HG2 LYS 80 119.620 5.379 19.088 579 HG3 LYS 80 HG1 LYS 80 119.341 7.105 18.891 580 HD2 LYS 80 HD2 LYS 80 120.470 7.629 20.919 581 HD3 LYS 80 HD1 LYS 80 120.431 5.950 21.464 582 HE2 LYS 80 HE2 LYS 80 122.664 6.396 20.680 583 HE3 LYS 80 HE1 LYS 80 121.882 5.377 19.472 584 HZ1 LYS 80 HZ1 LYS 80 123.115 7.707 18.946 585 HZ2 LYS 80 HZ2 LYS 80 121.496 8.208 19.074 586 HZ3 LYS 80 HZ3 LYS 80 121.930 7.001 17.959 587 H LEU 81 HN LEU 81 116.298 8.004 19.114 588 HA LEU 81 HA LEU 81 117.504 10.682 18.664 589 HB2 LEU 81 HB2 LEU 81 118.707 8.988 17.232 590 HB3 LEU 81 HB1 LEU 81 117.167 8.640 16.448 591 HG LEU 81 HG LEU 81 116.988 11.040 15.803 592 HD11 LEU 81 HD11 LEU 81 119.408 12.171 15.962 593 HD12 LEU 81 HD12 LEU 81 119.527 11.138 17.383 594 HD13 LEU 81 HD13 LEU 81 118.232 12.329 17.264 595 HD21 LEU 81 HD21 LEU 81 118.378 10.811 13.937 596 HD22 LEU 81 HD22 LEU 81 118.234 9.142 14.478 597 HD23 LEU 81 HD23 LEU 81 119.678 10.073 14.872 598 H LYS 82 HN LYS 82 115.812 12.087 18.485 599 HA LYS 82 HA LYS 82 113.111 11.060 17.999 600 HB2 LYS 82 HB2 LYS 82 114.185 13.861 18.446 601 HB3 LYS 82 HB1 LYS 82 112.473 13.488 18.239 602 HG2 LYS 82 HG2 LYS 82 112.541 11.995 20.190 603 HG3 LYS 82 HG1 LYS 82 114.264 12.320 20.392 604 HD2 LYS 82 HD2 LYS 82 113.772 14.713 20.750 605 HD3 LYS 82 HD1 LYS 82 112.049 14.389 20.551 606 HE2 LYS 82 HE2 LYS 82 112.117 12.855 22.491 607 HE3 LYS 82 HE1 LYS 82 113.834 13.200 22.697 608 HZ1 LYS 82 HZ1 LYS 82 112.281 14.526 24.124 609 HZ2 LYS 82 HZ2 LYS 82 111.754 15.310 22.712 610 HZ3 LYS 82 HZ3 LYS 82 113.373 15.441 23.206 611 H LEU 83 HN LEU 83 112.736 10.486 15.893 612 HA LEU 83 HA LEU 83 113.864 12.050 13.676 613 HB2 LEU 83 HB2 LEU 83 111.946 9.703 13.672 614 HB3 LEU 83 HB1 LEU 83 112.726 10.392 12.250 615 HG LEU 83 HG LEU 83 114.177 9.182 14.620 616 HD11 LEU 83 HD11 LEU 83 114.520 7.259 13.324 617 HD12 LEU 83 HD12 LEU 83 114.143 8.091 11.816 618 HD13 LEU 83 HD13 LEU 83 112.850 7.677 12.943 619 HD21 LEU 83 HD21 LEU 83 116.052 9.301 12.754 620 HD22 LEU 83 HD22 LEU 83 115.702 10.712 13.748 621 HD23 LEU 83 HD23 LEU 83 115.041 10.598 12.118 622 H THR 84 HN THR 84 112.413 12.866 11.927 623 HA THR 84 HA THR 84 109.747 13.757 12.990 624 HB THR 84 HB THR 84 110.102 15.960 12.030 625 HG1 THR 84 HG1 THR 84 112.354 14.679 10.973 626 HG21 THR 84 HG21 THR 84 111.179 15.225 14.302 627 HG22 THR 84 HG22 THR 84 111.620 16.782 13.601 628 HG23 THR 84 HG23 THR 84 112.700 15.399 13.428 629 H ASN 85 HN ASN 85 108.238 14.381 11.191 630 HA ASN 85 HA ASN 85 107.137 13.783 9.210 631 HB2 ASN 85 HB2 ASN 85 110.007 14.054 8.330 632 HB3 ASN 85 HB1 ASN 85 108.731 13.638 7.185 633 HD21 ASN 85 HD21 ASN 85 110.131 16.095 6.917 634 HD22 ASN 85 HD22 ASN 85 109.077 17.372 7.289 635 H ILE 86 HN ILE 86 107.352 11.638 10.837 636 HA ILE 86 HA ILE 86 108.688 9.410 9.502 637 HB ILE 86 HB ILE 86 106.766 9.525 11.842 638 HG12 ILE 86 HG12 ILE 86 109.747 8.981 11.780 639 HG13 ILE 86 HG11 ILE 86 109.064 10.581 12.069 640 HG21 ILE 86 HG21 ILE 86 108.127 7.253 10.433 641 HG22 ILE 86 HG22 ILE 86 106.511 7.325 11.137 642 HG23 ILE 86 HG23 ILE 86 107.922 7.170 12.183 643 HD11 ILE 86 HD11 ILE 86 109.581 9.380 14.189 644 HD12 ILE 86 HD12 ILE 86 108.447 8.114 13.722 645 HD13 ILE 86 HD13 ILE 86 107.865 9.749 14.033 646 H ILE 87 HN ILE 87 107.810 8.124 7.972 647 HA ILE 87 HA ILE 87 104.831 8.177 7.588 648 HB ILE 87 HB ILE 87 106.974 8.045 5.446 649 HG12 ILE 87 HG12 ILE 87 106.746 10.303 6.378 650 HG13 ILE 87 HG11 ILE 87 106.051 10.249 4.759 651 HG21 ILE 87 HG21 ILE 87 104.796 8.446 4.027 652 HG22 ILE 87 HG22 ILE 87 103.994 7.729 5.424 653 HG23 ILE 87 HG23 ILE 87 105.219 6.813 4.545 654 HD11 ILE 87 HD11 ILE 87 104.683 10.532 7.396 655 HD12 ILE 87 HD12 ILE 87 103.833 9.645 6.138 656 HD13 ILE 87 HD13 ILE 87 104.326 11.312 5.861 657 H MET 88 HN MET 88 103.980 6.131 7.831 658 HA MET 88 HA MET 88 105.779 3.808 7.211 659 HB2 MET 88 HB2 MET 88 103.654 3.977 9.370 660 HB3 MET 88 HB1 MET 88 104.658 2.572 9.011 661 HG2 MET 88 HG2 MET 88 106.680 3.832 9.576 662 HG3 MET 88 HG1 MET 88 105.720 5.281 9.865 663 HE1 MET 88 HE1 MET 88 105.029 1.384 11.020 664 HE2 MET 88 HE2 MET 88 106.173 1.514 12.353 665 HE3 MET 88 HE3 MET 88 106.705 1.855 10.709 666 H ASP 89 HN ASP 89 105.008 3.121 5.253 667 HA ASP 89 HA ASP 89 102.041 2.786 4.959 668 HB2 ASP 89 HB2 ASP 89 104.247 3.138 2.922 669 HB3 ASP 89 HB1 ASP 89 102.624 2.612 2.480 670 H HIS 90 HN HIS 90 101.714 0.712 5.765 671 HA HIS 90 HA HIS 90 103.587 -1.451 5.304 672 HB2 HIS 90 HB2 HIS 90 100.718 -1.471 6.277 673 HB3 HIS 90 HB1 HIS 90 101.794 -2.869 6.288 674 HD1 HIS 90 HD1 HIS 90 104.046 -2.580 7.760 675 HD2 HIS 90 HD2 HIS 90 101.044 0.231 8.459 676 HE1 HIS 90 HE1 HIS 90 104.602 -1.470 9.970 677 HE2 HIS 90 HE2 HIS 90 102.782 0.243 10.404 678 H TYR 91 HN TYR 91 100.606 -0.379 3.719 679 HA TYR 91 HA TYR 91 100.180 -2.716 2.141 680 HB2 TYR 91 HB2 TYR 91 98.474 -0.974 2.303 681 HB3 TYR 91 HB1 TYR 91 99.543 0.179 1.503 682 HD1 TYR 91 HD1 TYR 91 97.826 -3.105 1.026 683 HD2 TYR 91 HD2 TYR 91 99.642 0.303 -0.854 684 HE1 TYR 91 HE1 TYR 91 97.044 -3.909 -1.187 685 HE2 TYR 91 HE2 TYR 91 98.860 -0.500 -3.067 686 HH TYR 91 HH TYR 91 98.062 -2.355 -4.169 687 H ASN 92 HN ASN 92 102.078 0.232 1.458 688 HA ASN 92 HA ASN 92 103.051 -0.967 -1.059 689 HB2 ASN 92 HB2 ASN 92 103.533 1.691 0.307 690 HB3 ASN 92 HB1 ASN 92 104.397 1.205 -1.152 691 HD21 ASN 92 HD21 ASN 92 102.593 3.457 -1.118 692 HD22 ASN 92 HD22 ASN 92 101.264 3.081 -2.105 693 H ASN 93 HN ASN 93 103.814 -1.192 2.161 694 HA ASN 93 HA ASN 93 105.702 -2.007 3.311 695 HB2 ASN 93 HB2 ASN 93 106.560 -2.947 0.559 696 HB3 ASN 93 HB1 ASN 93 107.060 -3.615 2.112 697 HD21 ASN 93 HD21 ASN 93 106.098 -5.695 1.122 698 HD22 ASN 93 HD22 ASN 93 104.429 -5.949 1.302 699 H THR 94 HN THR 94 105.900 0.711 2.667 700 HA THR 94 HA THR 94 108.828 0.948 2.132 701 HB THR 94 HB THR 94 107.710 1.718 0.118 702 HG1 THR 94 HG1 THR 94 109.326 3.071 0.465 703 HG21 THR 94 HG21 THR 94 105.512 2.117 1.334 704 HG22 THR 94 HG22 THR 94 105.944 3.327 0.127 705 HG23 THR 94 HG23 THR 94 106.175 3.670 1.841 706 H PHE 95 HN PHE 95 109.901 2.308 3.546 707 HA PHE 95 HA PHE 95 108.206 3.841 5.495 708 HB2 PHE 95 HB2 PHE 95 110.738 2.268 6.073 709 HB3 PHE 95 HB1 PHE 95 109.834 3.227 7.246 710 HD1 PHE 95 HD1 PHE 95 109.610 0.289 4.967 711 HD2 PHE 95 HD2 PHE 95 107.884 2.367 8.306 712 HE1 PHE 95 HE1 PHE 95 108.114 -1.642 5.393 713 HE2 PHE 95 HE2 PHE 95 106.384 0.437 8.731 714 HZ PHE 95 HZ PHE 95 106.499 -1.566 7.274 715 H TYR 96 HN TYR 96 108.923 5.911 5.964 716 HA TYR 96 HA TYR 96 111.608 6.733 4.942 717 HB2 TYR 96 HB2 TYR 96 109.041 8.306 4.550 718 HB3 TYR 96 HB1 TYR 96 110.645 8.803 4.038 719 HD1 TYR 96 HD2 TYR 96 111.781 7.722 2.160 720 HD2 TYR 96 HD1 TYR 96 107.822 6.570 3.361 721 HE1 TYR 96 HE2 TYR 96 111.473 6.536 0.004 722 HE2 TYR 96 HE1 TYR 96 107.512 5.393 1.203 723 HH TYR 96 HH TYR 96 109.930 4.506 -0.773 724 H SER 97 HN SER 97 112.580 8.401 6.188 725 HA SER 97 HA SER 97 111.042 9.657 8.363 726 HB2 SER 97 HB2 SER 97 111.778 7.500 9.351 727 HB3 SER 97 HB1 SER 97 113.447 7.895 8.948 728 HG SER 97 HG SER 97 111.693 9.287 10.695 729 H ARG 98 HN ARG 98 112.145 11.521 9.216 730 HA ARG 98 HA ARG 98 114.429 12.414 7.503 731 HB2 ARG 98 HB2 ARG 98 112.227 13.869 8.938 732 HB3 ARG 98 HB1 ARG 98 113.729 14.711 8.565 733 HG2 ARG 98 HG2 ARG 98 112.071 15.019 6.765 734 HG3 ARG 98 HG1 ARG 98 113.468 14.113 6.185 735 HD2 ARG 98 HD2 ARG 98 111.239 12.485 7.298 736 HD3 ARG 98 HD1 ARG 98 110.913 13.306 5.783 737 HE ARG 98 HE ARG 98 113.443 12.087 5.496 738 HH11 ARG 98 HH21 ARG 98 110.249 11.076 6.328 739 HH12 ARG 98 HH22 ARG 98 110.370 9.567 5.496 740 HH21 ARG 98 HH11 ARG 98 113.617 10.130 4.404 741 HH22 ARG 98 HH12 ARG 98 112.284 9.029 4.396 742 H LEU 99 HN LEU 99 116.334 13.025 8.428 743 HA LEU 99 HA LEU 99 116.691 12.328 11.285 744 HB2 LEU 99 HB2 LEU 99 118.755 13.092 9.206 745 HB3 LEU 99 HB1 LEU 99 119.094 12.445 10.812 746 HG LEU 99 HG LEU 99 117.686 11.035 8.532 747 HD11 LEU 99 HD11 LEU 99 119.603 9.418 8.922 748 HD12 LEU 99 HD12 LEU 99 120.305 10.624 10.000 749 HD13 LEU 99 HD13 LEU 99 120.081 10.995 8.291 750 HD21 LEU 99 HD21 LEU 99 116.519 10.237 10.405 751 HD22 LEU 99 HD22 LEU 99 117.915 10.410 11.469 752 HD23 LEU 99 HD23 LEU 99 117.857 9.094 10.298 753 HA PRO 100 HA PRO 100 116.589 16.537 12.780 754 HB2 PRO 100 HB2 PRO 100 119.119 15.771 14.193 755 HB3 PRO 100 HB1 PRO 100 117.661 16.547 14.841 756 HG2 PRO 100 HG2 PRO 100 118.199 13.963 15.257 757 HG3 PRO 100 HG1 PRO 100 116.545 14.565 15.065 758 HD2 PRO 100 HD2 PRO 100 118.167 12.940 13.189 759 HD3 PRO 100 HD1 PRO 100 116.402 13.100 13.329 760 H SER 101 HN SER 101 117.838 18.534 12.510 761 HA SER 101 HA SER 101 119.482 18.541 10.160 762 HB2 SER 101 HB2 SER 101 118.089 20.475 10.973 763 HB3 SER 101 HB1 SER 101 119.279 20.724 12.246 764 HG SER 101 HG SER 101 119.863 22.011 10.540 765 H LEU 102 HN LEU 102 120.190 17.970 13.471 766 HA LEU 102 HA LEU 102 123.116 18.280 12.896 767 HB2 LEU 102 HB2 LEU 102 122.234 19.912 14.560 768 HB3 LEU 102 HB1 LEU 102 121.727 18.561 15.573 769 HG LEU 102 HG LEU 102 124.072 17.780 15.692 770 HD11 LEU 102 HD11 LEU 102 125.741 19.701 14.918 771 HD12 LEU 102 HD12 LEU 102 124.436 20.068 13.790 772 HD13 LEU 102 HD13 LEU 102 125.190 18.473 13.779 773 HD21 LEU 102 HD21 LEU 102 123.103 19.438 17.339 774 HD22 LEU 102 HD22 LEU 102 123.862 20.721 16.397 775 HD23 LEU 102 HD23 LEU 102 124.859 19.503 17.193 776 H ILE 103 HN ILE 103 124.333 16.458 13.131 777 HA ILE 103 HA ILE 103 123.374 14.287 14.902 778 HB ILE 103 HB ILE 103 124.228 13.702 12.058 779 HG12 ILE 103 HG12 ILE 103 121.420 13.852 13.204 780 HG13 ILE 103 HG11 ILE 103 122.112 14.981 12.039 781 HG21 ILE 103 HG21 ILE 103 123.364 11.482 12.543 782 HG22 ILE 103 HG22 ILE 103 122.747 12.020 14.105 783 HG23 ILE 103 HG23 ILE 103 124.486 11.931 13.828 784 HD11 ILE 103 HD11 ILE 103 121.225 12.158 11.641 785 HD12 ILE 103 HD12 ILE 103 122.604 12.724 10.696 786 HD13 ILE 103 HD13 ILE 103 121.055 13.552 10.577 787 H SER 104 HN SER 104 125.117 13.660 16.111 788 HA SER 104 HA SER 104 127.834 13.852 14.868 789 HB2 SER 104 HB2 SER 104 127.226 14.616 17.732 790 HB3 SER 104 HB1 SER 104 128.740 14.838 16.860 791 HG SER 104 HG SER 104 127.432 16.749 16.977 792 H ASP 105 HN ASP 105 125.735 11.691 15.756 793 HA ASP 105 HA ASP 105 127.599 10.096 17.467 794 HB2 ASP 105 HB2 ASP 105 125.337 8.658 17.571 795 HB3 ASP 105 HB1 ASP 105 125.630 10.021 18.651 796 H ASN 106 HN ASN 106 127.952 7.872 16.900 797 HA ASN 106 HA ASN 106 127.814 7.393 13.970 798 HB2 ASN 106 HB2 ASN 106 129.346 6.064 16.221 799 HB3 ASN 106 HB1 ASN 106 129.318 5.425 14.578 800 HD21 ASN 106 HD21 ASN 106 131.731 6.404 15.857 801 HD22 ASN 106 HD22 ASN 106 132.248 7.772 14.997 802 H TRP 107 HN TRP 107 125.429 7.179 15.696 803 HA TRP 107 HA TRP 107 124.882 4.441 16.322 804 HB2 TRP 107 HB2 TRP 107 122.546 5.132 16.505 805 HB3 TRP 107 HB1 TRP 107 123.585 6.348 17.245 806 HD1 TRP 107 HD1 TRP 107 124.245 8.461 15.517 807 HE1 TRP 107 HE1 TRP 107 122.702 9.702 13.884 808 HE3 TRP 107 HE3 TRP 107 120.526 5.000 15.044 809 HZ2 TRP 107 HZ2 TRP 107 120.203 9.283 12.545 810 HZ3 TRP 107 HZ3 TRP 107 118.578 5.454 13.586 811 HH2 TRP 107 HH2 TRP 107 118.408 7.581 12.342 812 H LYS 108 HN LYS 108 123.423 2.991 15.225 813 HA LYS 108 HA LYS 108 122.981 3.482 12.332 814 HB2 LYS 108 HB2 LYS 108 124.007 1.395 11.686 815 HB3 LYS 108 HB1 LYS 108 125.190 2.290 12.640 816 HG2 LYS 108 HG2 LYS 108 124.465 1.006 14.659 817 HG3 LYS 108 HG1 LYS 108 123.418 0.036 13.624 818 HD2 LYS 108 HD2 LYS 108 126.396 0.317 13.173 819 HD3 LYS 108 HD1 LYS 108 125.672 -1.003 14.091 820 HE2 LYS 108 HE2 LYS 108 124.197 -1.403 12.016 821 HE3 LYS 108 HE1 LYS 108 125.332 -0.361 11.159 822 HZ1 LYS 108 HZ1 LYS 108 125.665 -2.978 11.411 823 HZ2 LYS 108 HZ2 LYS 108 126.510 -2.454 12.788 824 HZ3 LYS 108 HZ3 LYS 108 126.955 -1.890 11.248 825 H PHE 109 HN PHE 109 121.321 2.029 11.447 826 HA PHE 109 HA PHE 109 119.939 0.261 13.372 827 HB2 PHE 109 HB2 PHE 109 117.823 1.391 13.299 828 HB3 PHE 109 HB1 PHE 109 119.021 2.609 13.721 829 HD1 PHE 109 HD2 PHE 109 119.777 4.269 12.047 830 HD2 PHE 109 HD1 PHE 109 116.677 1.427 11.176 831 HE1 PHE 109 HE2 PHE 109 119.096 5.613 10.078 832 HE2 PHE 109 HE1 PHE 109 115.995 2.769 9.210 833 HZ PHE 109 HZ PHE 109 117.206 4.864 8.658 834 H PHE 110 HN PHE 110 118.207 -1.028 12.208 835 HA PHE 110 HA PHE 110 118.326 -0.851 9.273 836 HB2 PHE 110 HB2 PHE 110 118.951 -3.340 9.178 837 HB3 PHE 110 HB1 PHE 110 120.244 -2.216 9.593 838 HD1 PHE 110 HD2 PHE 110 120.732 -1.810 12.084 839 HD2 PHE 110 HD1 PHE 110 118.347 -5.083 10.650 840 HE1 PHE 110 HE2 PHE 110 121.081 -3.002 14.227 841 HE2 PHE 110 HE1 PHE 110 118.703 -6.276 12.796 842 HZ PHE 110 HZ PHE 110 120.069 -5.238 14.582 843 H CYS 111 HN CYS 111 116.846 -2.342 8.206 844 HA CYS 111 HA CYS 111 114.644 -3.359 9.962 845 HB2 CYS 111 HB2 CYS 111 114.395 -1.869 7.328 846 HB3 CYS 111 HB1 CYS 111 113.058 -2.683 8.135 847 H VAL 112 HN VAL 112 113.489 -5.218 8.953 848 HA VAL 112 HA VAL 112 115.102 -6.513 6.775 849 HB VAL 112 HB VAL 112 114.109 -7.718 9.355 850 HG11 VAL 112 HG11 VAL 112 113.517 -9.361 7.762 851 HG12 VAL 112 HG12 VAL 112 115.128 -9.850 8.288 852 HG13 VAL 112 HG13 VAL 112 114.918 -9.011 6.751 853 HG21 VAL 112 HG21 VAL 112 116.453 -8.300 9.639 854 HG22 VAL 112 HG22 VAL 112 116.350 -6.576 9.276 855 HG23 VAL 112 HG23 VAL 112 116.830 -7.715 8.020 856 H CYS 113 HN CYS 113 114.016 -7.656 5.265 857 HA CYS 113 HA CYS 113 111.029 -7.792 5.457 858 HB2 CYS 113 HB2 CYS 113 112.758 -7.396 2.988 859 HB3 CYS 113 HB1 CYS 113 111.012 -7.610 2.970 860 H SER 114 HN SER 114 110.260 -9.951 5.246 861 HA SER 114 HA SER 114 111.708 -11.902 3.673 862 HB2 SER 114 HB2 SER 114 112.380 -13.344 5.604 863 HB3 SER 114 HB1 SER 114 113.274 -11.828 5.509 864 HG SER 114 HG SER 114 111.925 -10.985 7.097 865 H LYS 115 HN LYS 115 110.939 -14.210 4.370 866 HA LYS 115 HA LYS 115 108.289 -14.384 5.580 867 HB2 LYS 115 HB2 LYS 115 108.688 -14.792 2.608 868 HB3 LYS 115 HB1 LYS 115 107.345 -15.514 3.490 869 HG2 LYS 115 HG2 LYS 115 106.947 -13.054 4.338 870 HG3 LYS 115 HG1 LYS 115 107.896 -12.619 2.917 871 HD2 LYS 115 HD2 LYS 115 105.312 -14.197 2.993 872 HD3 LYS 115 HD1 LYS 115 105.589 -12.630 2.232 873 HE2 LYS 115 HE2 LYS 115 105.748 -14.030 0.386 874 HE3 LYS 115 HE1 LYS 115 107.438 -13.974 0.885 875 HZ1 LYS 115 HZ1 LYS 115 106.036 -16.226 0.526 876 HZ2 LYS 115 HZ2 LYS 115 105.831 -15.992 2.196 877 HZ3 LYS 115 HZ3 LYS 115 107.392 -16.103 1.537 878 H ASP 116 HN ASP 116 107.593 -16.784 5.514 879 HA ASP 116 HA ASP 116 109.733 -18.429 6.401 880 HB2 ASP 116 HB2 ASP 116 106.957 -19.071 5.391 881 HB3 ASP 116 HB1 ASP 116 108.064 -20.331 5.938 882 H ASN 117 HN ASN 117 110.826 -20.176 5.333 883 HA ASN 117 HA ASN 117 112.105 -20.946 3.489 884 HB2 ASN 117 HB2 ASN 117 109.838 -22.116 3.330 885 HB3 ASN 117 HB1 ASN 117 109.423 -20.933 2.089 886 HD21 ASN 117 HD21 ASN 117 109.465 -22.348 0.260 887 HD22 ASN 117 HD22 ASN 117 110.869 -23.148 -0.257 888 H GLU 118 HN GLU 118 112.704 -18.390 3.484 889 HA GLU 118 HA GLU 118 112.802 -17.664 0.661 890 HB2 GLU 118 HB2 GLU 118 111.120 -16.086 2.608 891 HB3 GLU 118 HB1 GLU 118 111.829 -15.323 1.186 892 HG2 GLU 118 HG2 GLU 118 110.727 -17.282 -0.135 893 HG3 GLU 118 HG1 GLU 118 109.758 -17.508 1.319 894 H LYS 119 HN LYS 119 114.573 -16.335 0.251 895 HA LYS 119 HA LYS 119 116.608 -16.069 2.191 896 HB2 LYS 119 HB2 LYS 119 116.109 -14.454 -0.328 897 HB3 LYS 119 HB1 LYS 119 117.607 -14.395 0.602 898 HG2 LYS 119 HG2 LYS 119 117.956 -16.798 0.232 899 HG3 LYS 119 HG1 LYS 119 116.434 -16.895 -0.655 900 HD2 LYS 119 HD2 LYS 119 117.319 -15.259 -2.307 901 HD3 LYS 119 HD1 LYS 119 118.856 -15.247 -1.444 902 HE2 LYS 119 HE2 LYS 119 117.569 -17.689 -2.703 903 HE3 LYS 119 HE1 LYS 119 118.930 -16.790 -3.373 904 HZ1 LYS 119 HZ1 LYS 119 120.213 -17.313 -1.405 905 HZ2 LYS 119 HZ2 LYS 119 119.657 -18.741 -2.137 906 HZ3 LYS 119 HZ3 LYS 119 118.901 -18.153 -0.734 907 H LYS 120 HN LYS 120 117.216 -14.337 3.565 908 HA LYS 120 HA LYS 120 115.021 -12.440 4.158 909 HB2 LYS 120 HB2 LYS 120 116.322 -11.941 6.212 910 HB3 LYS 120 HB1 LYS 120 115.975 -13.662 6.048 911 HG2 LYS 120 HG2 LYS 120 118.201 -14.088 5.207 912 HG3 LYS 120 HG1 LYS 120 118.568 -12.363 5.174 913 HD2 LYS 120 HD2 LYS 120 119.554 -13.079 7.188 914 HD3 LYS 120 HD1 LYS 120 117.997 -12.436 7.711 915 HE2 LYS 120 HE2 LYS 120 117.040 -14.650 7.828 916 HE3 LYS 120 HE1 LYS 120 118.470 -15.362 7.076 917 HZ1 LYS 120 HZ1 LYS 120 119.343 -15.577 9.083 918 HZ2 LYS 120 HZ2 LYS 120 118.004 -14.814 9.797 919 HZ3 LYS 120 HZ3 LYS 120 119.332 -13.893 9.275 920 H LEU 121 HN LEU 121 115.218 -10.224 3.986 921 HA LEU 121 HA LEU 121 117.691 -9.215 2.620 922 HB2 LEU 121 HB2 LEU 121 114.876 -8.086 2.547 923 HB3 LEU 121 HB1 LEU 121 116.263 -7.470 1.652 924 HG LEU 121 HG LEU 121 115.166 -10.280 1.356 925 HD11 LEU 121 HD11 LEU 121 114.553 -9.222 -0.978 926 HD12 LEU 121 HD12 LEU 121 114.584 -7.704 -0.079 927 HD13 LEU 121 HD13 LEU 121 113.474 -8.990 0.397 928 HD21 LEU 121 HD21 LEU 121 116.554 -9.979 -0.839 929 HD22 LEU 121 HD22 LEU 121 117.414 -10.327 0.660 930 HD23 LEU 121 HD23 LEU 121 117.353 -8.676 0.041 931 H VAL 122 HN VAL 122 118.908 -7.796 3.838 932 HA VAL 122 HA VAL 122 117.581 -6.541 6.205 933 HB VAL 122 HB VAL 122 120.461 -7.301 5.672 934 HG11 VAL 122 HG11 VAL 122 120.744 -6.399 8.077 935 HG12 VAL 122 HG12 VAL 122 119.236 -5.531 7.792 936 HG13 VAL 122 HG13 VAL 122 120.643 -5.209 6.778 937 HG21 VAL 122 HG21 VAL 122 118.401 -8.794 6.712 938 HG22 VAL 122 HG22 VAL 122 119.064 -8.067 8.176 939 HG23 VAL 122 HG23 VAL 122 120.098 -9.029 7.123 940 H PHE 123 HN PHE 123 117.445 -4.377 6.296 941 HA PHE 123 HA PHE 123 118.919 -2.759 4.252 942 HB2 PHE 123 HB2 PHE 123 116.589 -2.419 3.923 943 HB3 PHE 123 HB1 PHE 123 116.261 -2.405 5.655 944 HD1 PHE 123 HD1 PHE 123 118.272 -0.539 3.095 945 HD2 PHE 123 HD2 PHE 123 115.984 -0.354 6.721 946 HE1 PHE 123 HE1 PHE 123 118.507 1.927 3.118 947 HE2 PHE 123 HE2 PHE 123 116.217 2.113 6.746 948 HZ PHE 123 HZ PHE 123 117.479 3.256 4.943 949 H THR 124 HN THR 124 120.613 -1.585 5.149 950 HA THR 124 HA THR 124 120.272 -0.643 7.968 951 HB THR 124 HB THR 124 121.643 -2.785 7.800 952 HG1 THR 124 HG1 THR 124 123.095 -0.565 8.765 953 HG21 THR 124 HG21 THR 124 122.817 -1.987 5.687 954 HG22 THR 124 HG22 THR 124 123.869 -2.652 6.934 955 HG23 THR 124 HG23 THR 124 123.747 -0.907 6.724 956 H VAL 125 HN VAL 125 121.151 1.304 8.462 957 HA VAL 125 HA VAL 125 122.858 2.662 6.435 958 HB VAL 125 HB VAL 125 121.552 4.655 6.470 959 HG11 VAL 125 HG11 VAL 125 120.574 2.456 5.346 960 HG12 VAL 125 HG12 VAL 125 119.631 3.945 5.384 961 HG13 VAL 125 HG13 VAL 125 119.310 2.668 6.557 962 HG21 VAL 125 HG21 VAL 125 121.049 4.861 8.807 963 HG22 VAL 125 HG22 VAL 125 120.123 3.359 8.806 964 HG23 VAL 125 HG23 VAL 125 119.498 4.782 7.971 965 H GLU 126 HN GLU 126 124.140 4.435 7.444 966 HA GLU 126 HA GLU 126 124.307 4.164 10.432 967 HB2 GLU 126 HB2 GLU 126 126.576 4.305 8.423 968 HB3 GLU 126 HB1 GLU 126 126.785 4.424 10.171 969 HG2 GLU 126 HG2 GLU 126 125.816 2.197 10.469 970 HG3 GLU 126 HG1 GLU 126 125.513 2.074 8.738 971 H ALA 127 HN ALA 127 124.958 6.053 11.557 972 HA ALA 127 HA ALA 127 125.474 8.525 10.052 973 HB1 ALA 127 HB1 ALA 127 123.152 8.624 11.953 974 HB2 ALA 127 HB2 ALA 127 122.883 8.065 10.302 975 HB3 ALA 127 HB3 ALA 127 123.525 9.681 10.591 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 115.297 15.412 -3.645 2 H2 GLU 1 HT2 GLU 1 114.653 15.373 -5.216 3 H3 GLU 1 HT3 GLU 1 115.829 16.527 -4.806 4 HA GLU 1 HA GLU 1 116.756 14.703 -6.132 5 HB2 GLU 1 HB2 GLU 1 117.667 14.967 -3.252 6 HB3 GLU 1 HB1 GLU 1 118.610 14.167 -4.511 7 HG2 GLU 1 HG2 GLU 1 118.677 16.229 -5.821 8 HG3 GLU 1 HG1 GLU 1 117.652 17.041 -4.637 9 H LYS 2 HN LYS 2 117.908 12.435 -5.327 10 HA LYS 2 HA LYS 2 115.656 10.611 -5.018 11 HB2 LYS 2 HB2 LYS 2 118.651 10.169 -5.178 12 HB3 LYS 2 HB1 LYS 2 117.483 8.855 -5.046 13 HG2 LYS 2 HG2 LYS 2 116.369 9.634 -7.109 14 HG3 LYS 2 HG1 LYS 2 117.545 10.942 -7.247 15 HD2 LYS 2 HD2 LYS 2 119.370 9.303 -7.434 16 HD3 LYS 2 HD1 LYS 2 118.211 7.983 -7.264 17 HE2 LYS 2 HE2 LYS 2 117.068 8.705 -9.321 18 HE3 LYS 2 HE1 LYS 2 118.202 10.046 -9.489 19 HZ1 LYS 2 HZ1 LYS 2 119.541 7.552 -9.141 20 HZ2 LYS 2 HZ2 LYS 2 119.719 8.710 -10.372 21 HZ3 LYS 2 HZ3 LYS 2 118.514 7.519 -10.490 22 H VAL 3 HN VAL 3 115.505 9.020 -3.264 23 HA VAL 3 HA VAL 3 116.358 10.199 -0.669 24 HB VAL 3 HB VAL 3 114.303 8.091 -1.388 25 HG11 VAL 3 HG11 VAL 3 113.694 8.327 1.075 26 HG12 VAL 3 HG12 VAL 3 115.255 9.113 1.294 27 HG13 VAL 3 HG13 VAL 3 115.180 7.443 0.738 28 HG21 VAL 3 HG21 VAL 3 114.228 10.987 -0.573 29 HG22 VAL 3 HG22 VAL 3 112.859 9.934 -0.220 30 HG23 VAL 3 HG23 VAL 3 113.371 10.184 -1.889 31 H LYS 4 HN LYS 4 117.844 9.165 0.632 32 HA LYS 4 HA LYS 4 119.376 6.967 -0.433 33 HB2 LYS 4 HB2 LYS 4 119.245 7.988 2.424 34 HB3 LYS 4 HB1 LYS 4 120.502 6.949 1.753 35 HG2 LYS 4 HG2 LYS 4 119.851 9.714 0.696 36 HG3 LYS 4 HG1 LYS 4 121.151 9.373 1.840 37 HD2 LYS 4 HD2 LYS 4 121.954 7.631 0.103 38 HD3 LYS 4 HD1 LYS 4 120.897 8.476 -1.028 39 HE2 LYS 4 HE2 LYS 4 123.005 9.882 0.627 40 HE3 LYS 4 HE1 LYS 4 123.292 9.297 -1.012 41 HZ1 LYS 4 HZ1 LYS 4 121.187 11.232 -0.208 42 HZ2 LYS 4 HZ2 LYS 4 121.457 10.661 -1.785 43 HZ3 LYS 4 HZ3 LYS 4 122.630 11.616 -1.012 44 H GLY 5 HN GLY 5 118.779 4.853 -0.417 45 HA2 GLY 5 HA2 GLY 5 117.783 3.445 1.813 46 HA3 GLY 5 HA1 GLY 5 116.383 3.949 0.872 47 H CYS 6 HN CYS 6 117.017 1.241 1.194 48 HA CYS 6 HA CYS 6 118.220 0.449 -1.413 49 HB2 CYS 6 HB2 CYS 6 118.897 -0.542 0.919 50 HB3 CYS 6 HB1 CYS 6 117.419 -1.482 0.748 51 H ASP 7 HN ASP 7 116.973 -0.487 -2.979 52 HA ASP 7 HA ASP 7 114.095 -0.968 -2.314 53 HB2 ASP 7 HB2 ASP 7 114.501 0.830 -3.981 54 HB3 ASP 7 HB1 ASP 7 115.350 -0.331 -5.002 55 H PHE 8 HN PHE 8 113.833 -3.141 -2.006 56 HA PHE 8 HA PHE 8 115.487 -5.065 -3.513 57 HB2 PHE 8 HB2 PHE 8 113.303 -5.452 -1.440 58 HB3 PHE 8 HB1 PHE 8 114.241 -6.761 -2.157 59 HD1 PHE 8 HD2 PHE 8 116.697 -6.913 -1.753 60 HD2 PHE 8 HD1 PHE 8 114.239 -4.009 0.241 61 HE1 PHE 8 HE2 PHE 8 118.495 -6.536 -0.087 62 HE2 PHE 8 HE1 PHE 8 116.036 -3.633 1.907 63 HZ PHE 8 HZ PHE 8 118.164 -4.895 1.744 64 H THR 9 HN THR 9 112.767 -3.322 -4.150 65 HA THR 9 HA THR 9 111.352 -5.505 -5.580 66 HB THR 9 HB THR 9 110.548 -2.602 -5.248 67 HG1 THR 9 HG1 THR 9 110.814 -4.192 -3.345 68 HG21 THR 9 HG21 THR 9 109.197 -5.093 -6.264 69 HG22 THR 9 HG22 THR 9 109.278 -3.495 -7.010 70 HG23 THR 9 HG23 THR 9 108.251 -3.761 -5.600 71 H THR 10 HN THR 10 113.524 -2.878 -6.223 72 HA THR 10 HA THR 10 113.479 -3.552 -9.074 73 HB THR 10 HB THR 10 112.872 -0.683 -8.358 74 HG1 THR 10 HG1 THR 10 111.076 -1.651 -7.661 75 HG21 THR 10 HG21 THR 10 112.301 -2.243 -10.884 76 HG22 THR 10 HG22 THR 10 113.819 -1.384 -10.617 77 HG23 THR 10 HG23 THR 10 112.298 -0.492 -10.670 78 H SER 11 HN SER 11 115.524 -3.294 -9.870 79 HA SER 11 HA SER 11 117.660 -2.369 -8.194 80 HB2 SER 11 HB2 SER 11 119.045 -2.551 -10.242 81 HB3 SER 11 HB1 SER 11 118.027 -3.971 -10.029 82 HG SER 11 HG SER 11 116.867 -1.901 -11.431 83 H GLU 12 HN GLU 12 115.537 -0.784 -10.454 84 HA GLU 12 HA GLU 12 117.092 1.752 -10.120 85 HB2 GLU 12 HB2 GLU 12 115.206 0.857 -12.319 86 HB3 GLU 12 HB1 GLU 12 115.847 2.493 -12.184 87 HG2 GLU 12 HG2 GLU 12 118.135 1.649 -12.370 88 HG3 GLU 12 HG1 GLU 12 117.541 -0.011 -12.406 89 H SER 13 HN SER 13 116.119 2.663 -8.323 90 HA SER 13 HA SER 13 113.141 2.679 -8.213 91 HB2 SER 13 HB2 SER 13 115.143 3.452 -6.076 92 HB3 SER 13 HB1 SER 13 113.403 3.287 -5.867 93 HG SER 13 HG SER 13 114.035 1.052 -6.890 94 H THR 14 HN THR 14 112.255 4.436 -9.135 95 HA THR 14 HA THR 14 113.644 6.906 -9.614 96 HB THR 14 HB THR 14 111.581 6.057 -10.848 97 HG1 THR 14 HG1 THR 14 112.110 8.139 -11.218 98 HG21 THR 14 HG21 THR 14 109.970 7.335 -8.666 99 HG22 THR 14 HG22 THR 14 110.457 5.649 -8.497 100 HG23 THR 14 HG23 THR 14 109.472 6.149 -9.871 101 H ILE 15 HN ILE 15 112.824 5.570 -6.762 102 HA ILE 15 HA ILE 15 112.316 8.227 -5.484 103 HB ILE 15 HB ILE 15 111.203 6.784 -3.649 104 HG12 ILE 15 HG12 ILE 15 111.053 4.855 -5.989 105 HG13 ILE 15 HG11 ILE 15 112.070 4.622 -4.567 106 HG21 ILE 15 HG21 ILE 15 110.015 8.282 -5.276 107 HG22 ILE 15 HG22 ILE 15 109.063 6.877 -4.795 108 HG23 ILE 15 HG23 ILE 15 109.864 6.904 -6.367 109 HD11 ILE 15 HD11 ILE 15 110.049 3.381 -4.180 110 HD12 ILE 15 HD12 ILE 15 109.046 4.748 -4.667 111 HD13 ILE 15 HD13 ILE 15 109.963 4.819 -3.162 112 H PHE 16 HN PHE 16 114.002 5.116 -5.304 113 HA PHE 16 HA PHE 16 115.591 6.213 -3.016 114 HB2 PHE 16 HB2 PHE 16 114.939 3.374 -3.814 115 HB3 PHE 16 HB1 PHE 16 116.246 3.757 -2.693 116 HD1 PHE 16 HD2 PHE 16 115.632 5.348 -0.700 117 HD2 PHE 16 HD1 PHE 16 112.758 3.133 -2.999 118 HE1 PHE 16 HE2 PHE 16 113.987 5.566 1.145 119 HE2 PHE 16 HE1 PHE 16 111.114 3.352 -1.156 120 HZ PHE 16 HZ PHE 16 111.729 4.565 0.917 121 H SER 17 HN SER 17 117.855 6.125 -3.145 122 HA SER 17 HA SER 17 118.945 6.204 -5.850 123 HB2 SER 17 HB2 SER 17 120.065 6.659 -3.093 124 HB3 SER 17 HB1 SER 17 121.134 6.550 -4.490 125 HG SER 17 HG SER 17 119.067 8.400 -3.954 126 H LYS 18 HN LYS 18 118.747 3.782 -3.341 127 HA LYS 18 HA LYS 18 120.714 2.135 -4.894 128 HB2 LYS 18 HB2 LYS 18 121.352 2.784 -2.513 129 HB3 LYS 18 HB1 LYS 18 120.027 1.751 -1.978 130 HG2 LYS 18 HG2 LYS 18 121.774 0.224 -1.952 131 HG3 LYS 18 HG1 LYS 18 121.175 -0.007 -3.596 132 HD2 LYS 18 HD2 LYS 18 122.868 1.535 -4.461 133 HD3 LYS 18 HD1 LYS 18 123.440 1.856 -2.825 134 HE2 LYS 18 HE2 LYS 18 124.073 -0.505 -2.565 135 HE3 LYS 18 HE1 LYS 18 123.471 -0.854 -4.186 136 HZ1 LYS 18 HZ1 LYS 18 125.299 1.345 -4.141 137 HZ2 LYS 18 HZ2 LYS 18 125.312 -0.054 -5.104 138 HZ3 LYS 18 HZ3 LYS 18 126.004 -0.080 -3.552 139 H GLY 19 HN GLY 19 119.946 0.269 -5.752 140 HA2 GLY 19 HA2 GLY 19 117.640 -1.091 -4.507 141 HA3 GLY 19 HA1 GLY 19 117.407 -0.527 -6.161 142 H TYR 20 HN TYR 20 117.359 -3.285 -5.396 143 HA TYR 20 HA TYR 20 119.851 -4.287 -6.724 144 HB2 TYR 20 HB2 TYR 20 118.127 -5.460 -4.545 145 HB3 TYR 20 HB1 TYR 20 119.142 -6.494 -5.549 146 HD1 TYR 20 HD1 TYR 20 119.294 -3.383 -3.465 147 HD2 TYR 20 HD2 TYR 20 121.392 -6.808 -4.991 148 HE1 TYR 20 HE1 TYR 20 121.264 -2.794 -2.078 149 HE2 TYR 20 HE2 TYR 20 123.362 -6.219 -3.603 150 HH TYR 20 HH TYR 20 123.217 -3.873 -1.112 151 H SER 21 HN SER 21 119.554 -6.037 -8.242 152 HA SER 21 HA SER 21 116.937 -5.915 -9.610 153 HB2 SER 21 HB2 SER 21 119.237 -5.800 -10.780 154 HB3 SER 21 HB1 SER 21 119.338 -7.531 -10.475 155 HG SER 21 HG SER 21 117.071 -6.354 -11.681 156 H ILE 22 HN ILE 22 115.654 -7.804 -9.985 157 HA ILE 22 HA ILE 22 115.464 -9.651 -7.856 158 HB ILE 22 HB ILE 22 114.017 -10.982 -9.353 159 HG12 ILE 22 HG12 ILE 22 114.904 -9.035 -11.506 160 HG13 ILE 22 HG11 ILE 22 115.456 -10.706 -11.389 161 HG21 ILE 22 HG21 ILE 22 112.359 -9.280 -9.739 162 HG22 ILE 22 HG22 ILE 22 113.591 -8.021 -9.819 163 HG23 ILE 22 HG23 ILE 22 113.247 -8.821 -8.286 164 HD11 ILE 22 HD11 ILE 22 113.614 -10.656 -12.953 165 HD12 ILE 22 HD12 ILE 22 112.612 -9.754 -11.816 166 HD13 ILE 22 HD13 ILE 22 113.041 -11.430 -11.476 167 H ASN 23 HN ASN 23 117.395 -9.773 -10.792 168 HA ASN 23 HA ASN 23 118.104 -12.561 -10.598 169 HB2 ASN 23 HB2 ASN 23 118.416 -11.237 -12.671 170 HB3 ASN 23 HB1 ASN 23 119.650 -10.274 -11.858 171 HD21 ASN 23 HD21 ASN 23 121.473 -10.992 -13.094 172 HD22 ASN 23 HD22 ASN 23 122.013 -12.601 -13.086 173 H GLU 24 HN GLU 24 119.608 -9.572 -9.384 174 HA GLU 24 HA GLU 24 122.005 -10.690 -8.391 175 HB2 GLU 24 HB2 GLU 24 120.324 -8.388 -7.367 176 HB3 GLU 24 HB1 GLU 24 121.921 -8.778 -6.728 177 HG2 GLU 24 HG2 GLU 24 122.925 -8.473 -8.930 178 HG3 GLU 24 HG1 GLU 24 121.337 -8.195 -9.645 179 H ILE 25 HN ILE 25 118.870 -10.292 -6.680 180 HA ILE 25 HA ILE 25 119.773 -11.483 -4.245 181 HB ILE 25 HB ILE 25 117.297 -11.924 -3.859 182 HG12 ILE 25 HG12 ILE 25 117.087 -10.530 -6.549 183 HG13 ILE 25 HG11 ILE 25 116.706 -12.226 -6.256 184 HG21 ILE 25 HG21 ILE 25 118.467 -9.812 -3.220 185 HG22 ILE 25 HG22 ILE 25 116.775 -9.550 -3.643 186 HG23 ILE 25 HG23 ILE 25 118.045 -9.138 -4.794 187 HD11 ILE 25 HD11 ILE 25 115.295 -9.798 -5.139 188 HD12 ILE 25 HD12 ILE 25 115.060 -11.418 -4.481 189 HD13 ILE 25 HD13 ILE 25 114.618 -11.071 -6.153 190 H SER 26 HN SER 26 118.179 -12.913 -7.096 191 HA SER 26 HA SER 26 118.181 -15.594 -5.994 192 HB2 SER 26 HB2 SER 26 117.633 -16.286 -8.309 193 HB3 SER 26 HB1 SER 26 116.619 -14.948 -7.778 194 HG SER 26 HG SER 26 118.078 -13.546 -8.873 195 H ASN 27 HN ASN 27 120.400 -13.713 -7.979 196 HA ASN 27 HA ASN 27 122.119 -15.752 -8.897 197 HB2 ASN 27 HB2 ASN 27 122.308 -13.325 -9.498 198 HB3 ASN 27 HB1 ASN 27 122.977 -13.020 -7.894 199 HD21 ASN 27 HD21 ASN 27 124.721 -12.350 -9.837 200 HD22 ASN 27 HD22 ASN 27 125.921 -13.530 -10.057 201 H LYS 28 HN LYS 28 121.846 -17.207 -6.933 202 HA LYS 28 HA LYS 28 123.068 -16.594 -4.423 203 HB2 LYS 28 HB2 LYS 28 121.532 -18.604 -5.184 204 HB3 LYS 28 HB1 LYS 28 123.075 -19.391 -5.513 205 HG2 LYS 28 HG2 LYS 28 123.798 -19.026 -3.215 206 HG3 LYS 28 HG1 LYS 28 122.333 -18.109 -2.869 207 HD2 LYS 28 HD2 LYS 28 120.954 -20.082 -3.254 208 HD3 LYS 28 HD1 LYS 28 122.372 -21.015 -3.733 209 HE2 LYS 28 HE2 LYS 28 121.796 -21.518 -1.403 210 HE3 LYS 28 HE1 LYS 28 123.339 -20.665 -1.467 211 HZ1 LYS 28 HZ1 LYS 28 122.464 -19.167 -0.114 212 HZ2 LYS 28 HZ2 LYS 28 120.932 -19.897 -0.194 213 HZ3 LYS 28 HZ3 LYS 28 121.377 -18.722 -1.338 214 H SER 29 HN SER 29 125.049 -15.500 -5.258 215 HA SER 29 HA SER 29 127.200 -17.504 -5.815 216 HB2 SER 29 HB2 SER 29 126.716 -16.256 -7.878 217 HB3 SER 29 HB1 SER 29 126.912 -14.732 -7.019 218 HG SER 29 HG SER 29 129.041 -16.273 -6.561 219 H SER 30 HN SER 30 127.578 -14.019 -5.501 220 HA SER 30 HA SER 30 128.803 -14.448 -2.804 221 HB2 SER 30 HB2 SER 30 130.417 -14.151 -4.842 222 HB3 SER 30 HB1 SER 30 129.930 -12.461 -4.760 223 HG SER 30 HG SER 30 131.570 -12.519 -3.371 224 H ASN 31 HN ASN 31 127.737 -11.897 -5.084 225 HA ASN 31 HA ASN 31 127.308 -9.921 -3.050 226 HB2 ASN 31 HB2 ASN 31 127.501 -9.438 -5.505 227 HB3 ASN 31 HB1 ASN 31 125.900 -10.145 -5.726 228 HD21 ASN 31 HD21 ASN 31 125.046 -8.023 -6.411 229 HD22 ASN 31 HD22 ASN 31 124.757 -6.799 -5.271 230 H ASN 32 HN ASN 32 125.676 -12.797 -3.633 231 HA ASN 32 HA ASN 32 123.542 -12.053 -1.778 232 HB2 ASN 32 HB2 ASN 32 122.858 -12.771 -4.646 233 HB3 ASN 32 HB1 ASN 32 121.692 -12.619 -3.330 234 HD21 ASN 32 HD21 ASN 32 122.974 -10.898 -5.885 235 HD22 ASN 32 HD22 ASN 32 122.733 -9.321 -5.303 236 H GLN 33 HN GLN 33 123.421 -13.827 -0.491 237 HA GLN 33 HA GLN 33 123.515 -16.509 -1.789 238 HB2 GLN 33 HB2 GLN 33 124.824 -17.213 0.351 239 HB3 GLN 33 HB1 GLN 33 125.705 -16.401 -0.943 240 HG2 GLN 33 HG2 GLN 33 125.394 -14.234 0.233 241 HG3 GLN 33 HG1 GLN 33 124.586 -15.085 1.548 242 HE21 GLN 33 HE21 GLN 33 126.938 -13.666 2.140 243 HE22 GLN 33 HE22 GLN 33 128.195 -14.760 2.462 244 H GLN 34 HN GLN 34 122.944 -14.839 1.335 245 HA GLN 34 HA GLN 34 120.321 -16.150 1.527 246 HB2 GLN 34 HB2 GLN 34 120.780 -17.198 3.701 247 HB3 GLN 34 HB1 GLN 34 121.862 -17.849 2.470 248 HG2 GLN 34 HG2 GLN 34 123.647 -16.333 3.208 249 HG3 GLN 34 HG1 GLN 34 122.569 -15.629 4.412 250 HE21 GLN 34 HE21 GLN 34 125.121 -17.189 4.842 251 HE22 GLN 34 HE22 GLN 34 124.682 -18.489 5.841 252 H ASP 35 HN ASP 35 122.654 -13.801 2.508 253 HA ASP 35 HA ASP 35 120.501 -12.349 3.989 254 HB2 ASP 35 HB2 ASP 35 123.424 -12.621 4.752 255 HB3 ASP 35 HB1 ASP 35 122.320 -11.462 5.491 256 H ILE 36 HN ILE 36 120.045 -10.677 2.599 257 HA ILE 36 HA ILE 36 122.284 -9.405 1.119 258 HB ILE 36 HB ILE 36 119.379 -8.629 0.901 259 HG12 ILE 36 HG12 ILE 36 119.343 -11.028 0.625 260 HG13 ILE 36 HG11 ILE 36 119.275 -10.314 -0.987 261 HG21 ILE 36 HG21 ILE 36 121.623 -8.709 -1.134 262 HG22 ILE 36 HG22 ILE 36 121.193 -7.279 -0.196 263 HG23 ILE 36 HG23 ILE 36 120.037 -7.966 -1.336 264 HD11 ILE 36 HD11 ILE 36 121.539 -11.747 0.358 265 HD12 ILE 36 HD12 ILE 36 121.907 -10.507 -0.842 266 HD13 ILE 36 HD13 ILE 36 120.938 -11.910 -1.291 267 H VAL 37 HN VAL 37 123.254 -7.684 2.085 268 HA VAL 37 HA VAL 37 121.610 -6.061 3.985 269 HB VAL 37 HB VAL 37 124.567 -6.679 3.933 270 HG11 VAL 37 HG11 VAL 37 124.517 -4.376 4.483 271 HG12 VAL 37 HG12 VAL 37 124.529 -5.191 6.047 272 HG13 VAL 37 HG13 VAL 37 123.020 -4.543 5.401 273 HG21 VAL 37 HG21 VAL 37 124.174 -7.830 5.929 274 HG22 VAL 37 HG22 VAL 37 122.697 -8.172 5.028 275 HG23 VAL 37 HG23 VAL 37 122.700 -6.925 6.276 276 H CYS 38 HN CYS 38 121.254 -3.982 3.414 277 HA CYS 38 HA CYS 38 122.868 -2.841 1.178 278 HB2 CYS 38 HB2 CYS 38 120.204 -1.974 2.354 279 HB3 CYS 38 HB1 CYS 38 121.035 -1.156 1.031 280 H THR 39 HN THR 39 124.660 -1.924 2.175 281 HA THR 39 HA THR 39 124.248 -0.357 4.656 282 HB THR 39 HB THR 39 126.786 -1.063 3.153 283 HG1 THR 39 HG1 THR 39 126.051 -2.887 4.064 284 HG21 THR 39 HG21 THR 39 127.119 0.970 4.412 285 HG22 THR 39 HG22 THR 39 127.863 -0.350 5.315 286 HG23 THR 39 HG23 THR 39 126.298 0.291 5.818 287 H VAL 40 HN VAL 40 123.842 1.779 4.497 288 HA VAL 40 HA VAL 40 125.195 3.328 2.345 289 HB VAL 40 HB VAL 40 123.056 4.601 1.977 290 HG11 VAL 40 HG11 VAL 40 122.633 1.665 1.416 291 HG12 VAL 40 HG12 VAL 40 123.893 2.584 0.592 292 HG13 VAL 40 HG13 VAL 40 122.202 3.048 0.410 293 HG21 VAL 40 HG21 VAL 40 122.076 3.798 4.201 294 HG22 VAL 40 HG22 VAL 40 121.744 2.267 3.391 295 HG23 VAL 40 HG23 VAL 40 120.983 3.752 2.818 296 H LYS 41 HN LYS 41 125.357 5.632 2.897 297 HA LYS 41 HA LYS 41 125.341 6.028 5.846 298 HB2 LYS 41 HB2 LYS 41 126.685 7.573 3.609 299 HB3 LYS 41 HB1 LYS 41 126.768 8.020 5.313 300 HG2 LYS 41 HG2 LYS 41 127.778 5.832 5.843 301 HG3 LYS 41 HG1 LYS 41 127.694 5.381 4.140 302 HD2 LYS 41 HD2 LYS 41 129.164 7.276 3.560 303 HD3 LYS 41 HD1 LYS 41 129.250 7.730 5.263 304 HE2 LYS 41 HE2 LYS 41 130.265 5.550 5.801 305 HE3 LYS 41 HE1 LYS 41 130.170 5.083 4.103 306 HZ1 LYS 41 HZ1 LYS 41 132.083 6.108 3.753 307 HZ2 LYS 41 HZ2 LYS 41 132.167 6.566 5.386 308 HZ3 LYS 41 HZ3 LYS 41 131.411 7.582 4.255 309 H ALA 42 HN ALA 42 123.888 7.394 6.780 310 HA ALA 42 HA ALA 42 121.977 8.792 5.006 311 HB1 ALA 42 HB1 ALA 42 122.001 8.412 8.017 312 HB2 ALA 42 HB2 ALA 42 121.074 7.457 6.860 313 HB3 ALA 42 HB3 ALA 42 120.696 9.161 7.097 314 H HIS 43 HN HIS 43 121.393 11.075 5.528 315 HA HIS 43 HA HIS 43 123.586 12.597 6.850 316 HB2 HIS 43 HB2 HIS 43 123.778 12.444 4.256 317 HB3 HIS 43 HB1 HIS 43 122.411 13.558 4.250 318 HD1 HIS 43 HD1 HIS 43 122.788 15.893 5.493 319 HD2 HIS 43 HD2 HIS 43 126.237 13.627 4.884 320 HE1 HIS 43 HE1 HIS 43 124.748 17.458 5.854 321 HE2 HIS 43 HE2 HIS 43 126.851 16.090 5.486 322 H ALA 44 HN ALA 44 122.901 14.629 7.694 323 HA ALA 44 HA ALA 44 120.275 14.760 8.728 324 HB1 ALA 44 HB1 ALA 44 121.105 17.411 8.623 325 HB2 ALA 44 HB2 ALA 44 122.619 16.508 8.626 326 HB3 ALA 44 HB3 ALA 44 121.450 16.276 9.926 327 H ASN 45 HN ASN 45 121.519 15.771 5.628 328 HA ASN 45 HA ASN 45 119.002 17.254 5.042 329 HB2 ASN 45 HB2 ASN 45 121.290 18.213 4.461 330 HB3 ASN 45 HB1 ASN 45 121.420 16.940 3.248 331 HD21 ASN 45 HD21 ASN 45 121.249 18.329 1.389 332 HD22 ASN 45 HD22 ASN 45 119.832 19.189 1.023 333 H ASP 46 HN ASP 46 120.706 14.297 4.305 334 HA ASP 46 HA ASP 46 119.109 13.669 1.945 335 HB2 ASP 46 HB2 ASP 46 120.937 11.975 3.675 336 HB3 ASP 46 HB1 ASP 46 120.190 11.419 2.178 337 H LEU 47 HN LEU 47 117.195 12.536 1.899 338 HA LEU 47 HA LEU 47 115.835 11.990 4.429 339 HB2 LEU 47 HB2 LEU 47 115.014 11.339 1.578 340 HB3 LEU 47 HB1 LEU 47 113.970 11.234 2.995 341 HG LEU 47 HG LEU 47 115.308 13.766 1.992 342 HD11 LEU 47 HD11 LEU 47 112.363 13.075 2.006 343 HD12 LEU 47 HD12 LEU 47 113.395 12.782 0.607 344 HD13 LEU 47 HD13 LEU 47 113.154 14.427 1.196 345 HD21 LEU 47 HD21 LEU 47 113.473 14.670 3.668 346 HD22 LEU 47 HD22 LEU 47 115.035 14.133 4.280 347 HD23 LEU 47 HD23 LEU 47 113.634 13.068 4.386 348 H ILE 48 HN ILE 48 115.221 9.864 5.168 349 HA ILE 48 HA ILE 48 116.833 7.663 3.929 350 HB ILE 48 HB ILE 48 116.906 6.679 6.244 351 HG12 ILE 48 HG12 ILE 48 115.990 9.436 7.107 352 HG13 ILE 48 HG11 ILE 48 114.909 8.045 7.033 353 HG21 ILE 48 HG21 ILE 48 118.571 8.387 7.100 354 HG22 ILE 48 HG22 ILE 48 118.108 9.414 5.743 355 HG23 ILE 48 HG23 ILE 48 118.853 7.843 5.447 356 HD11 ILE 48 HD11 ILE 48 117.501 8.017 8.591 357 HD12 ILE 48 HD12 ILE 48 116.179 6.854 8.678 358 HD13 ILE 48 HD13 ILE 48 115.960 8.485 9.310 359 H GLY 49 HN GLY 49 115.799 5.697 3.612 360 HA2 GLY 49 HA2 GLY 49 113.400 4.828 4.854 361 HA3 GLY 49 HA1 GLY 49 112.952 5.667 3.367 362 H PHE 50 HN PHE 50 112.193 3.312 2.921 363 HA PHE 50 HA PHE 50 113.993 2.156 1.003 364 HB2 PHE 50 HB2 PHE 50 114.562 0.075 2.085 365 HB3 PHE 50 HB1 PHE 50 115.063 1.383 3.155 366 HD1 PHE 50 HD2 PHE 50 113.831 1.874 5.217 367 HD2 PHE 50 HD1 PHE 50 112.665 -1.352 2.633 368 HE1 PHE 50 HE2 PHE 50 112.398 0.950 7.017 369 HE2 PHE 50 HE1 PHE 50 111.232 -2.277 4.432 370 HZ PHE 50 HZ PHE 50 111.098 -1.126 6.625 371 H LYS 51 HN LYS 51 113.065 -0.046 0.226 372 HA LYS 51 HA LYS 51 110.171 -0.328 0.806 373 HB2 LYS 51 HB2 LYS 51 110.248 1.283 -1.035 374 HB3 LYS 51 HB1 LYS 51 111.287 0.206 -1.964 375 HG2 LYS 51 HG2 LYS 51 109.493 -1.508 -1.955 376 HG3 LYS 51 HG1 LYS 51 108.449 -0.391 -1.074 377 HD2 LYS 51 HD2 LYS 51 109.714 0.392 -3.700 378 HD3 LYS 51 HD1 LYS 51 108.191 -0.495 -3.648 379 HE2 LYS 51 HE2 LYS 51 107.296 1.294 -2.109 380 HE3 LYS 51 HE1 LYS 51 108.768 2.213 -2.422 381 HZ1 LYS 51 HZ1 LYS 51 106.538 1.608 -4.213 382 HZ2 LYS 51 HZ2 LYS 51 108.092 1.717 -4.892 383 HZ3 LYS 51 HZ3 LYS 51 107.437 3.037 -4.047 384 H CYS 52 HN CYS 52 109.400 -2.411 0.387 385 HA CYS 52 HA CYS 52 111.397 -4.392 -0.643 386 HB2 CYS 52 HB2 CYS 52 109.496 -4.591 1.712 387 HB3 CYS 52 HB1 CYS 52 110.257 -6.005 0.988 388 HA PRO 53 HA PRO 53 108.384 -5.598 -3.640 389 HB2 PRO 53 HB2 PRO 53 108.413 -8.393 -3.224 390 HB3 PRO 53 HB1 PRO 53 109.432 -7.484 -4.350 391 HG2 PRO 53 HG2 PRO 53 110.056 -8.500 -1.640 392 HG3 PRO 53 HG1 PRO 53 111.111 -8.303 -3.048 393 HD2 PRO 53 HD2 PRO 53 111.231 -6.599 -0.951 394 HD3 PRO 53 HD1 PRO 53 111.478 -6.032 -2.620 395 H SER 54 HN SER 54 106.161 -6.029 -3.744 396 HA SER 54 HA SER 54 104.690 -5.978 -1.274 397 HB2 SER 54 HB2 SER 54 103.855 -6.420 -4.146 398 HB3 SER 54 HB1 SER 54 102.702 -6.346 -2.816 399 HG SER 54 HG SER 54 103.681 -4.338 -4.135 400 H ASN 55 HN ASN 55 106.080 -8.581 -2.989 401 HA ASN 55 HA ASN 55 104.068 -10.535 -2.048 402 HB2 ASN 55 HB2 ASN 55 106.670 -10.952 -3.551 403 HB3 ASN 55 HB1 ASN 55 105.449 -12.188 -3.243 404 HD21 ASN 55 HD21 ASN 55 106.490 -10.348 -5.715 405 HD22 ASN 55 HD22 ASN 55 105.028 -10.050 -6.526 406 H TYR 56 HN TYR 56 106.574 -8.951 -0.611 407 HA TYR 56 HA TYR 56 107.360 -11.336 1.010 408 HB2 TYR 56 HB2 TYR 56 108.793 -8.794 0.287 409 HB3 TYR 56 HB1 TYR 56 109.259 -9.694 1.729 410 HD1 TYR 56 HD1 TYR 56 108.494 -10.265 -1.903 411 HD2 TYR 56 HD2 TYR 56 110.827 -11.407 1.520 412 HE1 TYR 56 HE1 TYR 56 109.777 -11.858 -3.308 413 HE2 TYR 56 HE2 TYR 56 112.109 -12.998 0.114 414 HH TYR 56 HH TYR 56 112.667 -13.165 -2.428 415 H SER 57 HN SER 57 107.804 -10.790 3.369 416 HA SER 57 HA SER 57 105.659 -8.956 4.351 417 HB2 SER 57 HB2 SER 57 105.432 -11.257 5.135 418 HB3 SER 57 HB1 SER 57 107.101 -11.263 5.699 419 HG SER 57 HG SER 57 106.335 -9.333 6.974 420 H VAL 58 HN VAL 58 106.257 -7.123 5.456 421 HA VAL 58 HA VAL 58 109.144 -6.649 5.816 422 HB VAL 58 HB VAL 58 108.606 -4.362 6.076 423 HG11 VAL 58 HG11 VAL 58 107.162 -3.878 4.178 424 HG12 VAL 58 HG12 VAL 58 106.443 -5.485 4.273 425 HG13 VAL 58 HG13 VAL 58 108.133 -5.301 3.805 426 HG21 VAL 58 HG21 VAL 58 105.900 -5.411 6.893 427 HG22 VAL 58 HG22 VAL 58 106.086 -3.746 6.342 428 HG23 VAL 58 HG23 VAL 58 106.966 -4.307 7.764 429 H GLU 59 HN GLU 59 110.129 -7.076 7.681 430 HA GLU 59 HA GLU 59 108.568 -6.931 10.232 431 HB2 GLU 59 HB2 GLU 59 110.551 -8.989 9.263 432 HB3 GLU 59 HB1 GLU 59 110.328 -8.711 10.989 433 HG2 GLU 59 HG2 GLU 59 108.187 -9.565 10.996 434 HG3 GLU 59 HG1 GLU 59 107.878 -9.092 9.325 435 HA PRO 60 HA PRO 60 111.933 -4.059 10.989 436 HB2 PRO 60 HB2 PRO 60 111.240 -3.266 13.481 437 HB3 PRO 60 HB1 PRO 60 110.330 -2.757 12.043 438 HG2 PRO 60 HG2 PRO 60 109.693 -4.882 14.030 439 HG3 PRO 60 HG1 PRO 60 108.619 -3.706 13.254 440 HD2 PRO 60 HD2 PRO 60 108.857 -6.337 12.433 441 HD3 PRO 60 HD1 PRO 60 108.346 -5.009 11.364 442 H HIS 61 HN HIS 61 113.930 -4.970 11.366 443 HA HIS 61 HA HIS 61 114.259 -6.835 13.648 444 HB2 HIS 61 HB2 HIS 61 115.248 -7.182 11.259 445 HB3 HIS 61 HB1 HIS 61 116.455 -5.996 11.758 446 HD1 HIS 61 HD1 HIS 61 117.109 -6.713 14.567 447 HD2 HIS 61 HD2 HIS 61 116.400 -9.655 11.695 448 HE1 HIS 61 HE1 HIS 61 118.213 -8.829 15.420 449 HE2 HIS 61 HE2 HIS 61 117.786 -10.626 13.680 450 H ASP 62 HN ASP 62 114.946 -3.601 12.638 451 HA ASP 62 HA ASP 62 115.631 -2.749 15.295 452 HB2 ASP 62 HB2 ASP 62 117.781 -3.850 14.705 453 HB3 ASP 62 HB1 ASP 62 117.908 -2.807 13.287 454 H CYS 63 HN CYS 63 113.779 -2.004 13.292 455 HA CYS 63 HA CYS 63 114.608 0.229 11.716 456 HB2 CYS 63 HB2 CYS 63 111.879 -0.443 12.856 457 HB3 CYS 63 HB1 CYS 63 112.180 0.759 11.603 458 H PHE 64 HN PHE 64 112.572 2.180 12.635 459 HA PHE 64 HA PHE 64 114.099 3.209 14.986 460 HB2 PHE 64 HB2 PHE 64 113.072 5.457 14.175 461 HB3 PHE 64 HB1 PHE 64 114.426 4.770 13.282 462 HD1 PHE 64 HD2 PHE 64 113.982 3.452 11.177 463 HD2 PHE 64 HD1 PHE 64 110.926 5.713 13.175 464 HE1 PHE 64 HE2 PHE 64 112.593 3.388 9.124 465 HE2 PHE 64 HE1 PHE 64 109.536 5.650 11.123 466 HZ PHE 64 HZ PHE 64 110.370 4.487 9.097 467 H VAL 65 HN VAL 65 110.745 3.533 13.644 468 HA VAL 65 HA VAL 65 109.508 4.512 15.940 469 HB VAL 65 HB VAL 65 108.501 2.495 13.921 470 HG11 VAL 65 HG11 VAL 65 107.150 3.639 16.366 471 HG12 VAL 65 HG12 VAL 65 107.192 1.964 15.818 472 HG13 VAL 65 HG13 VAL 65 106.214 3.150 14.954 473 HG21 VAL 65 HG21 VAL 65 108.835 4.789 13.118 474 HG22 VAL 65 HG22 VAL 65 107.903 5.421 14.476 475 HG23 VAL 65 HG23 VAL 65 107.108 4.449 13.237 476 H SER 66 HN SER 66 109.393 1.026 15.188 477 HA SER 66 HA SER 66 110.125 0.434 18.008 478 HB2 SER 66 HB2 SER 66 107.633 0.444 17.880 479 HB3 SER 66 HB1 SER 66 107.715 -0.759 16.595 480 HG SER 66 HG SER 66 108.469 -0.985 19.311 481 H ALA 67 HN ALA 67 111.591 -1.254 18.046 482 HA ALA 67 HA ALA 67 111.484 -3.446 16.167 483 HB1 ALA 67 HB1 ALA 67 113.775 -1.513 15.745 484 HB2 ALA 67 HB2 ALA 67 112.329 -1.519 14.741 485 HB3 ALA 67 HB3 ALA 67 113.375 -2.935 14.783 486 H PHE 68 HN PHE 68 113.760 -4.627 16.242 487 HA PHE 68 HA PHE 68 114.465 -4.831 19.112 488 HB2 PHE 68 HB2 PHE 68 115.520 -6.560 16.865 489 HB3 PHE 68 HB1 PHE 68 115.408 -6.956 18.579 490 HD1 PHE 68 HD1 PHE 68 113.308 -6.130 15.594 491 HD2 PHE 68 HD2 PHE 68 113.508 -8.066 19.424 492 HE1 PHE 68 HE1 PHE 68 111.062 -7.116 15.216 493 HE2 PHE 68 HE2 PHE 68 111.263 -9.049 19.044 494 HZ PHE 68 HZ PHE 68 110.042 -8.575 16.939 495 H ASN 69 HN ASN 69 116.298 -3.845 19.864 496 HA ASN 69 HA ASN 69 118.040 -2.388 18.083 497 HB2 ASN 69 HB2 ASN 69 118.275 -3.103 21.016 498 HB3 ASN 69 HB1 ASN 69 119.432 -2.074 20.172 499 HD21 ASN 69 HD21 ASN 69 117.763 -1.116 22.343 500 HD22 ASN 69 HD22 ASN 69 116.709 0.050 21.705 501 H LEU 70 HN LEU 70 120.594 -2.791 18.664 502 HA LEU 70 HA LEU 70 121.288 -5.196 17.279 503 HB2 LEU 70 HB2 LEU 70 122.947 -3.330 19.000 504 HB3 LEU 70 HB1 LEU 70 123.631 -4.651 18.053 505 HG LEU 70 HG LEU 70 121.817 -2.677 16.701 506 HD11 LEU 70 HD11 LEU 70 124.784 -2.249 17.164 507 HD12 LEU 70 HD12 LEU 70 123.506 -1.353 17.985 508 HD13 LEU 70 HD13 LEU 70 123.705 -1.206 16.238 509 HD21 LEU 70 HD21 LEU 70 124.291 -4.192 15.804 510 HD22 LEU 70 HD22 LEU 70 123.212 -3.256 14.772 511 HD23 LEU 70 HD23 LEU 70 122.633 -4.730 15.542 512 H SER 71 HN SER 71 120.625 -4.528 20.608 513 HA SER 71 HA SER 71 122.010 -6.907 21.625 514 HB2 SER 71 HB2 SER 71 120.016 -5.019 22.917 515 HB3 SER 71 HB1 SER 71 120.845 -6.324 23.761 516 HG SER 71 HG SER 71 122.240 -4.351 22.292 517 H GLY 72 HN GLY 72 119.214 -6.358 19.902 518 HA2 GLY 72 HA2 GLY 72 117.580 -7.941 19.243 519 HA3 GLY 72 HA1 GLY 72 118.232 -9.065 20.437 520 H LYS 73 HN LYS 73 117.531 -5.865 21.528 521 HA LYS 73 HA LYS 73 115.187 -6.943 23.031 522 HB2 LYS 73 HB2 LYS 73 117.011 -4.578 23.574 523 HB3 LYS 73 HB1 LYS 73 115.587 -4.969 24.539 524 HG2 LYS 73 HG2 LYS 73 116.541 -7.185 25.059 525 HG3 LYS 73 HG1 LYS 73 117.965 -6.801 24.092 526 HD2 LYS 73 HD2 LYS 73 118.518 -4.941 25.579 527 HD3 LYS 73 HD1 LYS 73 117.050 -5.224 26.516 528 HE2 LYS 73 HE2 LYS 73 118.971 -6.237 27.653 529 HE3 LYS 73 HE1 LYS 73 117.877 -7.498 27.085 530 HZ1 LYS 73 HZ1 LYS 73 120.128 -6.588 25.411 531 HZ2 LYS 73 HZ2 LYS 73 119.287 -8.063 25.360 532 HZ3 LYS 73 HZ3 LYS 73 120.372 -7.743 26.628 533 H ASN 74 HN ASN 74 113.186 -5.887 22.874 534 HA ASN 74 HA ASN 74 112.866 -4.114 20.559 535 HB2 ASN 74 HB2 ASN 74 111.263 -6.010 21.322 536 HB3 ASN 74 HB1 ASN 74 110.673 -4.832 22.496 537 HD21 ASN 74 HD21 ASN 74 108.630 -4.363 21.523 538 HD22 ASN 74 HD22 ASN 74 108.476 -3.674 19.979 539 H GLU 75 HN GLU 75 113.284 -1.978 20.814 540 HA GLU 75 HA GLU 75 112.035 -0.550 23.091 541 HB2 GLU 75 HB2 GLU 75 114.336 -1.145 23.844 542 HB3 GLU 75 HB1 GLU 75 114.988 -0.298 22.442 543 HG2 GLU 75 HG2 GLU 75 115.077 1.230 24.301 544 HG3 GLU 75 HG1 GLU 75 113.777 1.772 23.242 545 H ASN 76 HN ASN 76 111.271 1.449 22.437 546 HA ASN 76 HA ASN 76 111.191 2.167 19.701 547 HB2 ASN 76 HB2 ASN 76 110.802 3.779 22.232 548 HB3 ASN 76 HB1 ASN 76 110.574 4.481 20.631 549 HD21 ASN 76 HD21 ASN 76 108.240 4.715 20.941 550 HD22 ASN 76 HD22 ASN 76 107.212 3.364 20.955 551 H LEU 77 HN LEU 77 112.442 3.615 18.457 552 HA LEU 77 HA LEU 77 115.150 4.172 19.546 553 HB2 LEU 77 HB2 LEU 77 114.657 3.031 17.255 554 HB3 LEU 77 HB1 LEU 77 114.278 4.661 16.703 555 HG LEU 77 HG LEU 77 116.530 5.407 17.485 556 HD11 LEU 77 HD11 LEU 77 116.589 2.573 18.390 557 HD12 LEU 77 HD12 LEU 77 117.363 3.994 19.092 558 HD13 LEU 77 HD13 LEU 77 118.080 3.202 17.689 559 HD21 LEU 77 HD21 LEU 77 116.330 4.872 15.155 560 HD22 LEU 77 HD22 LEU 77 116.347 3.140 15.486 561 HD23 LEU 77 HD23 LEU 77 117.812 4.096 15.714 562 H GLU 78 HN GLU 78 112.352 5.761 19.672 563 HA GLU 78 HA GLU 78 113.006 8.326 18.505 564 HB2 GLU 78 HB2 GLU 78 111.109 9.175 19.873 565 HB3 GLU 78 HB1 GLU 78 110.680 7.735 18.954 566 HG2 GLU 78 HG2 GLU 78 109.878 7.043 20.984 567 HG3 GLU 78 HG1 GLU 78 111.558 6.558 21.222 568 H ASN 79 HN ASN 79 113.404 6.933 21.752 569 HA ASN 79 HA ASN 79 114.253 9.329 23.054 570 HB2 ASN 79 HB2 ASN 79 115.289 7.825 24.713 571 HB3 ASN 79 HB1 ASN 79 113.677 7.254 24.279 572 HD21 ASN 79 HD21 ASN 79 115.325 5.313 25.304 573 HD22 ASN 79 HD22 ASN 79 115.895 4.288 24.079 574 H LYS 80 HN LYS 80 115.915 7.046 20.966 575 HA LYS 80 HA LYS 80 118.584 8.074 21.519 576 HB2 LYS 80 HB2 LYS 80 118.237 5.788 20.654 577 HB3 LYS 80 HB1 LYS 80 117.537 6.450 19.180 578 HG2 LYS 80 HG2 LYS 80 119.667 7.611 18.691 579 HG3 LYS 80 HG1 LYS 80 120.369 6.917 20.152 580 HD2 LYS 80 HD2 LYS 80 119.151 5.173 18.013 581 HD3 LYS 80 HD1 LYS 80 120.831 5.698 17.922 582 HE2 LYS 80 HE2 LYS 80 121.138 4.775 20.269 583 HE3 LYS 80 HE1 LYS 80 119.537 4.053 20.111 584 HZ1 LYS 80 HZ1 LYS 80 121.968 3.074 19.151 585 HZ2 LYS 80 HZ2 LYS 80 121.010 3.466 17.803 586 HZ3 LYS 80 HZ3 LYS 80 120.423 2.392 18.982 587 H LEU 81 HN LEU 81 116.252 8.457 18.843 588 HA LEU 81 HA LEU 81 117.529 11.082 18.226 589 HB2 LEU 81 HB2 LEU 81 118.333 9.290 16.638 590 HB3 LEU 81 HB1 LEU 81 116.660 9.072 16.130 591 HG LEU 81 HG LEU 81 116.593 11.519 15.542 592 HD11 LEU 81 HD11 LEU 81 119.094 12.344 15.137 593 HD12 LEU 81 HD12 LEU 81 119.419 11.267 16.494 594 HD13 LEU 81 HD13 LEU 81 118.287 12.606 16.684 595 HD21 LEU 81 HD21 LEU 81 116.878 10.300 13.608 596 HD22 LEU 81 HD22 LEU 81 118.298 9.459 14.225 597 HD23 LEU 81 HD23 LEU 81 118.444 11.109 13.624 598 H LYS 82 HN LYS 82 115.976 12.657 18.132 599 HA LYS 82 HA LYS 82 113.165 11.942 18.356 600 HB2 LYS 82 HB2 LYS 82 114.144 13.977 19.423 601 HB3 LYS 82 HB1 LYS 82 114.411 14.657 17.817 602 HG2 LYS 82 HG2 LYS 82 112.002 14.559 17.353 603 HG3 LYS 82 HG1 LYS 82 111.714 13.828 18.932 604 HD2 LYS 82 HD2 LYS 82 112.631 15.845 20.029 605 HD3 LYS 82 HD1 LYS 82 112.896 16.580 18.447 606 HE2 LYS 82 HE2 LYS 82 110.789 17.396 19.398 607 HE3 LYS 82 HE1 LYS 82 110.460 16.400 17.980 608 HZ1 LYS 82 HZ1 LYS 82 108.993 15.795 19.772 609 HZ2 LYS 82 HZ2 LYS 82 110.306 15.529 20.815 610 HZ3 LYS 82 HZ3 LYS 82 110.066 14.517 19.472 611 H LEU 83 HN LEU 83 112.844 10.731 16.377 612 HA LEU 83 HA LEU 83 113.296 11.996 13.790 613 HB2 LEU 83 HB2 LEU 83 111.850 9.483 14.653 614 HB3 LEU 83 HB1 LEU 83 111.931 10.000 12.971 615 HG LEU 83 HG LEU 83 114.425 9.714 14.650 616 HD11 LEU 83 HD11 LEU 83 112.779 7.612 13.284 617 HD12 LEU 83 HD12 LEU 83 113.690 7.516 14.792 618 HD13 LEU 83 HD13 LEU 83 114.536 7.470 13.246 619 HD21 LEU 83 HD21 LEU 83 113.752 9.899 11.712 620 HD22 LEU 83 HD22 LEU 83 115.288 9.223 12.249 621 HD23 LEU 83 HD23 LEU 83 114.873 10.888 12.646 622 H THR 84 HN THR 84 111.819 13.086 12.537 623 HA THR 84 HA THR 84 109.045 13.372 13.628 624 HB THR 84 HB THR 84 109.059 15.714 13.009 625 HG1 THR 84 HG1 THR 84 110.484 15.310 11.167 626 HG21 THR 84 HG21 THR 84 111.687 15.107 14.384 627 HG22 THR 84 HG22 THR 84 110.119 15.041 15.187 628 HG23 THR 84 HG23 THR 84 110.718 16.571 14.545 629 H ASN 85 HN ASN 85 107.493 14.121 11.874 630 HA ASN 85 HA ASN 85 106.483 13.684 9.790 631 HB2 ASN 85 HB2 ASN 85 109.353 14.091 8.898 632 HB3 ASN 85 HB1 ASN 85 107.971 14.022 7.808 633 HD21 ASN 85 HD21 ASN 85 109.800 16.355 8.421 634 HD22 ASN 85 HD22 ASN 85 108.768 17.597 8.944 635 H ILE 86 HN ILE 86 106.875 11.394 11.203 636 HA ILE 86 HA ILE 86 108.395 9.431 9.667 637 HB ILE 86 HB ILE 86 106.413 9.138 11.942 638 HG12 ILE 86 HG12 ILE 86 109.433 8.861 11.916 639 HG13 ILE 86 HG11 ILE 86 108.598 10.347 12.369 640 HG21 ILE 86 HG21 ILE 86 107.757 6.864 12.068 641 HG22 ILE 86 HG22 ILE 86 108.003 7.157 10.347 642 HG23 ILE 86 HG23 ILE 86 106.369 7.015 10.993 643 HD11 ILE 86 HD11 ILE 86 107.366 9.070 14.128 644 HD12 ILE 86 HD12 ILE 86 109.112 9.076 14.386 645 HD13 ILE 86 HD13 ILE 86 108.323 7.646 13.719 646 H ILE 87 HN ILE 87 107.642 8.199 8.012 647 HA ILE 87 HA ILE 87 104.693 8.206 7.471 648 HB ILE 87 HB ILE 87 106.979 8.100 5.477 649 HG12 ILE 87 HG12 ILE 87 106.742 10.342 6.416 650 HG13 ILE 87 HG11 ILE 87 106.102 10.330 4.774 651 HG21 ILE 87 HG21 ILE 87 105.117 8.369 3.814 652 HG22 ILE 87 HG22 ILE 87 103.969 8.121 5.129 653 HG23 ILE 87 HG23 ILE 87 105.082 6.830 4.674 654 HD11 ILE 87 HD11 ILE 87 104.388 11.427 5.892 655 HD12 ILE 87 HD12 ILE 87 104.630 10.509 7.378 656 HD13 ILE 87 HD13 ILE 87 103.828 9.760 6.000 657 H MET 88 HN MET 88 103.856 6.160 7.720 658 HA MET 88 HA MET 88 105.668 3.853 7.103 659 HB2 MET 88 HB2 MET 88 103.451 3.909 9.170 660 HB3 MET 88 HB1 MET 88 104.570 2.582 8.863 661 HG2 MET 88 HG2 MET 88 106.462 3.996 9.538 662 HG3 MET 88 HG1 MET 88 105.368 5.352 9.802 663 HE1 MET 88 HE1 MET 88 106.679 2.044 10.693 664 HE2 MET 88 HE2 MET 88 105.046 1.392 10.812 665 HE3 MET 88 HE3 MET 88 106.015 1.591 12.269 666 H ASP 89 HN ASP 89 104.954 3.193 5.110 667 HA ASP 89 HA ASP 89 102.003 2.890 4.710 668 HB2 ASP 89 HB2 ASP 89 103.327 4.326 3.079 669 HB3 ASP 89 HB1 ASP 89 104.160 2.854 2.584 670 H HIS 90 HN HIS 90 101.630 0.822 5.531 671 HA HIS 90 HA HIS 90 103.483 -1.366 5.136 672 HB2 HIS 90 HB2 HIS 90 100.588 -1.321 6.026 673 HB3 HIS 90 HB1 HIS 90 101.610 -2.759 6.045 674 HD1 HIS 90 HD1 HIS 90 103.974 -2.384 7.450 675 HD2 HIS 90 HD2 HIS 90 100.788 0.152 8.358 676 HE1 HIS 90 HE1 HIS 90 104.484 -1.373 9.718 677 HE2 HIS 90 HE2 HIS 90 102.552 0.172 10.280 678 H TYR 91 HN TYR 91 100.522 -0.311 3.479 679 HA TYR 91 HA TYR 91 100.164 -2.638 1.875 680 HB2 TYR 91 HB2 TYR 91 98.447 -0.902 1.993 681 HB3 TYR 91 HB1 TYR 91 99.534 0.259 1.230 682 HD1 TYR 91 HD1 TYR 91 97.802 -3.004 0.693 683 HD2 TYR 91 HD2 TYR 91 99.747 0.366 -1.127 684 HE1 TYR 91 HE1 TYR 91 97.089 -3.802 -1.544 685 HE2 TYR 91 HE2 TYR 91 99.034 -0.431 -3.364 686 HH TYR 91 HH TYR 91 97.447 -3.554 -3.782 687 H ASN 92 HN ASN 92 102.048 0.334 1.241 688 HA ASN 92 HA ASN 92 103.118 -0.858 -1.237 689 HB2 ASN 92 HB2 ASN 92 103.487 1.807 0.141 690 HB3 ASN 92 HB1 ASN 92 104.476 1.329 -1.240 691 HD21 ASN 92 HD21 ASN 92 102.658 3.545 -1.404 692 HD22 ASN 92 HD22 ASN 92 101.418 3.135 -2.489 693 H ASN 93 HN ASN 93 103.778 -1.082 2.017 694 HA ASN 93 HA ASN 93 105.628 -1.861 3.229 695 HB2 ASN 93 HB2 ASN 93 106.229 -2.929 0.461 696 HB3 ASN 93 HB1 ASN 93 107.179 -3.353 1.884 697 HD21 ASN 93 HD21 ASN 93 105.705 -5.355 0.467 698 HD22 ASN 93 HD22 ASN 93 104.432 -5.890 1.455 699 H THR 94 HN THR 94 105.882 0.824 2.592 700 HA THR 94 HA THR 94 108.826 1.019 2.135 701 HB THR 94 HB THR 94 107.836 1.766 0.061 702 HG1 THR 94 HG1 THR 94 109.404 3.158 0.476 703 HG21 THR 94 HG21 THR 94 106.089 3.456 -0.025 704 HG22 THR 94 HG22 THR 94 106.124 3.625 1.731 705 HG23 THR 94 HG23 THR 94 105.553 2.125 0.997 706 H PHE 95 HN PHE 95 109.861 2.504 3.488 707 HA PHE 95 HA PHE 95 108.107 4.047 5.362 708 HB2 PHE 95 HB2 PHE 95 110.631 2.515 6.063 709 HB3 PHE 95 HB1 PHE 95 109.684 3.497 7.180 710 HD1 PHE 95 HD1 PHE 95 109.622 0.459 5.043 711 HD2 PHE 95 HD2 PHE 95 107.644 2.683 8.138 712 HE1 PHE 95 HE1 PHE 95 108.126 -1.472 5.473 713 HE2 PHE 95 HE2 PHE 95 106.148 0.754 8.569 714 HZ PHE 95 HZ PHE 95 106.388 -1.323 7.238 715 H TYR 96 HN TYR 96 108.808 6.133 5.809 716 HA TYR 96 HA TYR 96 111.502 6.943 4.797 717 HB2 TYR 96 HB2 TYR 96 108.933 8.503 4.381 718 HB3 TYR 96 HB1 TYR 96 110.543 9.012 3.884 719 HD1 TYR 96 HD1 TYR 96 107.781 6.653 3.245 720 HD2 TYR 96 HD2 TYR 96 111.646 8.015 1.960 721 HE1 TYR 96 HE1 TYR 96 107.491 5.448 1.098 722 HE2 TYR 96 HE2 TYR 96 111.358 6.808 -0.187 723 HH TYR 96 HH TYR 96 108.928 4.496 -0.683 724 H SER 97 HN SER 97 112.488 8.597 6.041 725 HA SER 97 HA SER 97 110.933 9.892 8.185 726 HB2 SER 97 HB2 SER 97 113.350 8.171 8.812 727 HB3 SER 97 HB1 SER 97 112.461 9.160 9.967 728 HG SER 97 HG SER 97 111.967 6.684 9.257 729 H ARG 98 HN ARG 98 112.067 11.752 9.062 730 HA ARG 98 HA ARG 98 114.317 12.640 7.303 731 HB2 ARG 98 HB2 ARG 98 112.148 14.130 8.777 732 HB3 ARG 98 HB1 ARG 98 113.631 14.950 8.290 733 HG2 ARG 98 HG2 ARG 98 113.202 14.636 5.998 734 HG3 ARG 98 HG1 ARG 98 112.081 13.309 6.297 735 HD2 ARG 98 HD2 ARG 98 110.363 14.746 6.966 736 HD3 ARG 98 HD1 ARG 98 111.465 16.061 7.353 737 HE ARG 98 HE ARG 98 110.186 15.524 4.801 738 HH11 ARG 98 HH21 ARG 98 113.130 16.629 6.218 739 HH12 ARG 98 HH22 ARG 98 113.702 17.363 4.757 740 HH21 ARG 98 HH11 ARG 98 110.920 16.462 2.896 741 HH22 ARG 98 HH12 ARG 98 112.453 17.265 2.877 742 H LEU 99 HN LEU 99 116.252 13.250 8.235 743 HA LEU 99 HA LEU 99 116.579 12.631 11.124 744 HB2 LEU 99 HB2 LEU 99 118.643 13.214 8.980 745 HB3 LEU 99 HB1 LEU 99 118.994 12.674 10.619 746 HG LEU 99 HG LEU 99 117.487 11.134 8.488 747 HD11 LEU 99 HD11 LEU 99 119.424 9.520 8.945 748 HD12 LEU 99 HD12 LEU 99 120.194 10.850 9.808 749 HD13 LEU 99 HD13 LEU 99 119.837 11.006 8.088 750 HD21 LEU 99 HD21 LEU 99 117.817 10.748 11.446 751 HD22 LEU 99 HD22 LEU 99 117.792 9.326 10.407 752 HD23 LEU 99 HD23 LEU 99 116.414 10.425 10.430 753 HA PRO 100 HA PRO 100 116.598 16.896 12.421 754 HB2 PRO 100 HB2 PRO 100 119.078 16.102 13.899 755 HB3 PRO 100 HB1 PRO 100 117.641 16.960 14.489 756 HG2 PRO 100 HG2 PRO 100 118.070 14.376 15.026 757 HG3 PRO 100 HG1 PRO 100 116.444 15.034 14.781 758 HD2 PRO 100 HD2 PRO 100 118.031 13.264 13.000 759 HD3 PRO 100 HD1 PRO 100 116.269 13.488 13.093 760 H SER 101 HN SER 101 118.403 18.728 12.606 761 HA SER 101 HA SER 101 119.872 18.653 10.058 762 HB2 SER 101 HB2 SER 101 119.602 20.822 12.157 763 HB3 SER 101 HB1 SER 101 120.421 21.019 10.610 764 HG SER 101 HG SER 101 117.694 20.345 11.046 765 H LEU 102 HN LEU 102 120.528 17.882 13.308 766 HA LEU 102 HA LEU 102 123.467 18.121 12.779 767 HB2 LEU 102 HB2 LEU 102 122.758 19.714 14.505 768 HB3 LEU 102 HB1 LEU 102 121.991 18.411 15.411 769 HG LEU 102 HG LEU 102 124.149 17.321 15.749 770 HD11 LEU 102 HD11 LEU 102 126.185 18.842 15.030 771 HD12 LEU 102 HD12 LEU 102 125.044 19.445 13.829 772 HD13 LEU 102 HD13 LEU 102 125.459 17.732 13.868 773 HD21 LEU 102 HD21 LEU 102 123.372 19.241 17.239 774 HD22 LEU 102 HD22 LEU 102 124.481 20.273 16.338 775 HD23 LEU 102 HD23 LEU 102 125.105 18.913 17.270 776 H ILE 103 HN ILE 103 124.591 16.235 12.936 777 HA ILE 103 HA ILE 103 123.572 14.034 14.631 778 HB ILE 103 HB ILE 103 124.227 13.592 11.701 779 HG12 ILE 103 HG12 ILE 103 121.543 13.639 13.122 780 HG13 ILE 103 HG11 ILE 103 122.102 14.819 11.936 781 HG21 ILE 103 HG21 ILE 103 123.510 11.330 12.100 782 HG22 ILE 103 HG22 ILE 103 122.929 11.737 13.714 783 HG23 ILE 103 HG23 ILE 103 124.660 11.732 13.375 784 HD11 ILE 103 HD11 ILE 103 121.028 12.109 11.519 785 HD12 ILE 103 HD12 ILE 103 122.488 12.453 10.591 786 HD13 ILE 103 HD13 ILE 103 121.072 13.485 10.416 787 H SER 104 HN SER 104 125.404 13.953 15.914 788 HA SER 104 HA SER 104 128.037 13.760 14.500 789 HB2 SER 104 HB2 SER 104 129.060 14.620 16.530 790 HB3 SER 104 HB1 SER 104 127.754 15.703 16.061 791 HG SER 104 HG SER 104 126.913 15.297 17.932 792 H ASP 105 HN ASP 105 125.739 11.875 15.948 793 HA ASP 105 HA ASP 105 127.610 10.135 17.425 794 HB2 ASP 105 HB2 ASP 105 125.336 8.740 17.505 795 HB3 ASP 105 HB1 ASP 105 125.601 10.124 18.565 796 H ASN 106 HN ASN 106 127.927 7.899 16.848 797 HA ASN 106 HA ASN 106 127.773 7.439 13.910 798 HB2 ASN 106 HB2 ASN 106 129.358 6.115 16.128 799 HB3 ASN 106 HB1 ASN 106 129.323 5.499 14.477 800 HD21 ASN 106 HD21 ASN 106 131.756 6.439 15.659 801 HD22 ASN 106 HD22 ASN 106 132.233 7.854 14.851 802 H TRP 107 HN TRP 107 125.420 7.190 15.673 803 HA TRP 107 HA TRP 107 124.915 4.448 16.305 804 HB2 TRP 107 HB2 TRP 107 122.563 5.106 16.480 805 HB3 TRP 107 HB1 TRP 107 123.593 6.318 17.240 806 HD1 TRP 107 HD1 TRP 107 124.271 8.443 15.514 807 HE1 TRP 107 HE1 TRP 107 122.710 9.704 13.902 808 HE3 TRP 107 HE3 TRP 107 120.520 5.008 15.061 809 HZ2 TRP 107 HZ2 TRP 107 120.196 9.309 12.592 810 HZ3 TRP 107 HZ3 TRP 107 118.554 5.478 13.626 811 HH2 TRP 107 HH2 TRP 107 118.388 7.622 12.392 812 H LYS 108 HN LYS 108 123.403 3.006 15.219 813 HA LYS 108 HA LYS 108 122.949 3.481 12.331 814 HB2 LYS 108 HB2 LYS 108 123.959 1.316 11.725 815 HB3 LYS 108 HB1 LYS 108 125.160 2.361 12.482 816 HG2 LYS 108 HG2 LYS 108 124.749 1.229 14.655 817 HG3 LYS 108 HG1 LYS 108 123.609 0.146 13.855 818 HD2 LYS 108 HD2 LYS 108 125.429 -0.616 12.340 819 HD3 LYS 108 HD1 LYS 108 126.562 0.418 13.211 820 HE2 LYS 108 HE2 LYS 108 124.961 -1.855 14.425 821 HE3 LYS 108 HE1 LYS 108 126.680 -1.905 14.035 822 HZ1 LYS 108 HZ1 LYS 108 125.297 -0.464 16.177 823 HZ2 LYS 108 HZ2 LYS 108 126.687 0.247 15.509 824 HZ3 LYS 108 HZ3 LYS 108 126.774 -1.296 16.213 825 H PHE 109 HN PHE 109 121.343 1.940 11.466 826 HA PHE 109 HA PHE 109 120.006 0.159 13.391 827 HB2 PHE 109 HB2 PHE 109 117.860 1.242 13.320 828 HB3 PHE 109 HB1 PHE 109 119.036 2.466 13.784 829 HD1 PHE 109 HD2 PHE 109 119.761 4.194 12.175 830 HD2 PHE 109 HD1 PHE 109 116.747 1.303 11.172 831 HE1 PHE 109 HE2 PHE 109 119.078 5.580 10.235 832 HE2 PHE 109 HE1 PHE 109 116.060 2.690 9.235 833 HZ PHE 109 HZ PHE 109 117.227 4.828 8.766 834 H PHE 110 HN PHE 110 118.233 -1.116 12.237 835 HA PHE 110 HA PHE 110 118.366 -0.953 9.290 836 HB2 PHE 110 HB2 PHE 110 118.986 -3.427 9.192 837 HB3 PHE 110 HB1 PHE 110 120.280 -2.324 9.657 838 HD1 PHE 110 HD2 PHE 110 120.697 -1.955 12.176 839 HD2 PHE 110 HD1 PHE 110 118.345 -5.198 10.619 840 HE1 PHE 110 HE2 PHE 110 120.982 -3.189 14.309 841 HE2 PHE 110 HE1 PHE 110 118.633 -6.429 12.752 842 HZ PHE 110 HZ PHE 110 119.950 -5.425 14.597 843 H CYS 111 HN CYS 111 116.908 -2.511 8.237 844 HA CYS 111 HA CYS 111 114.688 -3.476 9.990 845 HB2 CYS 111 HB2 CYS 111 114.448 -1.976 7.356 846 HB3 CYS 111 HB1 CYS 111 113.105 -2.796 8.150 847 H VAL 112 HN VAL 112 113.500 -5.329 8.952 848 HA VAL 112 HA VAL 112 115.146 -6.620 6.809 849 HB VAL 112 HB VAL 112 114.094 -7.825 9.366 850 HG11 VAL 112 HG11 VAL 112 114.964 -9.140 6.791 851 HG12 VAL 112 HG12 VAL 112 113.514 -9.456 7.744 852 HG13 VAL 112 HG13 VAL 112 115.092 -9.972 8.340 853 HG21 VAL 112 HG21 VAL 112 116.343 -6.704 9.332 854 HG22 VAL 112 HG22 VAL 112 116.842 -7.847 8.086 855 HG23 VAL 112 HG23 VAL 112 116.424 -8.427 9.697 856 H CYS 113 HN CYS 113 114.071 -7.800 5.290 857 HA CYS 113 HA CYS 113 111.083 -7.942 5.454 858 HB2 CYS 113 HB2 CYS 113 112.841 -7.366 3.038 859 HB3 CYS 113 HB1 CYS 113 111.119 -7.722 2.936 860 H SER 114 HN SER 114 110.328 -10.085 5.121 861 HA SER 114 HA SER 114 111.838 -11.968 3.508 862 HB2 SER 114 HB2 SER 114 112.464 -13.476 5.415 863 HB3 SER 114 HB1 SER 114 113.349 -11.954 5.399 864 HG SER 114 HG SER 114 111.100 -12.664 6.982 865 H LYS 115 HN LYS 115 111.069 -14.309 4.089 866 HA LYS 115 HA LYS 115 108.352 -14.505 5.185 867 HB2 LYS 115 HB2 LYS 115 108.955 -14.979 2.248 868 HB3 LYS 115 HB1 LYS 115 107.544 -15.657 3.056 869 HG2 LYS 115 HG2 LYS 115 107.103 -13.192 3.810 870 HG3 LYS 115 HG1 LYS 115 108.178 -12.778 2.475 871 HD2 LYS 115 HD2 LYS 115 105.691 -14.504 2.244 872 HD3 LYS 115 HD1 LYS 115 105.802 -12.814 1.755 873 HE2 LYS 115 HE2 LYS 115 107.634 -13.431 0.174 874 HE3 LYS 115 HE1 LYS 115 107.397 -15.124 0.607 875 HZ1 LYS 115 HZ1 LYS 115 105.816 -15.203 -0.920 876 HZ2 LYS 115 HZ2 LYS 115 105.926 -13.533 -1.211 877 HZ3 LYS 115 HZ3 LYS 115 104.894 -14.120 0.003 878 H ASP 116 HN ASP 116 107.708 -16.904 5.172 879 HA ASP 116 HA ASP 116 109.839 -18.513 6.150 880 HB2 ASP 116 HB2 ASP 116 107.114 -19.248 5.051 881 HB3 ASP 116 HB1 ASP 116 108.212 -20.430 5.767 882 H ASN 117 HN ASN 117 110.963 -20.287 5.147 883 HA ASN 117 HA ASN 117 112.262 -21.129 3.370 884 HB2 ASN 117 HB2 ASN 117 110.044 -22.286 3.092 885 HB3 ASN 117 HB1 ASN 117 109.593 -21.031 1.936 886 HD21 ASN 117 HD21 ASN 117 109.599 -23.458 0.779 887 HD22 ASN 117 HD22 ASN 117 111.003 -23.738 -0.134 888 H GLU 118 HN GLU 118 112.974 -18.612 3.375 889 HA GLU 118 HA GLU 118 113.219 -17.871 0.569 890 HB2 GLU 118 HB2 GLU 118 111.447 -16.264 2.415 891 HB3 GLU 118 HB1 GLU 118 112.228 -15.536 1.014 892 HG2 GLU 118 HG2 GLU 118 111.192 -17.552 -0.295 893 HG3 GLU 118 HG1 GLU 118 110.111 -17.669 1.095 894 H LYS 119 HN LYS 119 114.956 -16.424 0.267 895 HA LYS 119 HA LYS 119 116.906 -16.204 2.341 896 HB2 LYS 119 HB2 LYS 119 116.552 -14.599 -0.212 897 HB3 LYS 119 HB1 LYS 119 117.987 -14.528 0.812 898 HG2 LYS 119 HG2 LYS 119 118.337 -16.953 0.490 899 HG3 LYS 119 HG1 LYS 119 116.910 -17.020 -0.544 900 HD2 LYS 119 HD2 LYS 119 119.363 -15.316 -1.081 901 HD3 LYS 119 HD1 LYS 119 119.012 -16.855 -1.866 902 HE2 LYS 119 HE2 LYS 119 117.630 -14.211 -2.180 903 HE3 LYS 119 HE1 LYS 119 118.130 -15.362 -3.418 904 HZ1 LYS 119 HZ1 LYS 119 115.759 -15.412 -1.686 905 HZ2 LYS 119 HZ2 LYS 119 116.404 -16.881 -2.247 906 HZ3 LYS 119 HZ3 LYS 119 115.880 -15.702 -3.353 907 H LYS 120 HN LYS 120 117.470 -14.404 3.674 908 HA LYS 120 HA LYS 120 115.195 -12.580 4.205 909 HB2 LYS 120 HB2 LYS 120 116.263 -12.110 6.310 910 HB3 LYS 120 HB1 LYS 120 116.351 -13.852 6.058 911 HG2 LYS 120 HG2 LYS 120 118.661 -13.523 5.112 912 HG3 LYS 120 HG1 LYS 120 118.560 -11.832 5.592 913 HD2 LYS 120 HD2 LYS 120 119.647 -12.839 7.424 914 HD3 LYS 120 HD1 LYS 120 117.963 -12.765 7.947 915 HE2 LYS 120 HE2 LYS 120 117.607 -15.072 7.470 916 HE3 LYS 120 HE1 LYS 120 119.101 -15.190 6.542 917 HZ1 LYS 120 HZ1 LYS 120 118.688 -15.361 9.383 918 HZ2 LYS 120 HZ2 LYS 120 119.949 -14.306 8.953 919 HZ3 LYS 120 HZ3 LYS 120 119.981 -15.926 8.439 920 H LEU 121 HN LEU 121 115.308 -10.357 3.988 921 HA LEU 121 HA LEU 121 117.744 -9.290 2.614 922 HB2 LEU 121 HB2 LEU 121 114.952 -8.106 2.605 923 HB3 LEU 121 HB1 LEU 121 116.304 -7.661 1.565 924 HG LEU 121 HG LEU 121 114.902 -10.352 1.588 925 HD11 LEU 121 HD11 LEU 121 113.662 -8.377 0.574 926 HD12 LEU 121 HD12 LEU 121 113.985 -9.708 -0.538 927 HD13 LEU 121 HD13 LEU 121 114.978 -8.252 -0.595 928 HD21 LEU 121 HD21 LEU 121 117.328 -9.269 0.175 929 HD22 LEU 121 HD22 LEU 121 116.335 -10.496 -0.608 930 HD23 LEU 121 HD23 LEU 121 117.101 -10.840 0.942 931 H VAL 122 HN VAL 122 118.965 -7.929 3.875 932 HA VAL 122 HA VAL 122 117.617 -6.646 6.213 933 HB VAL 122 HB VAL 122 120.499 -7.425 5.723 934 HG11 VAL 122 HG11 VAL 122 119.266 -5.618 7.801 935 HG12 VAL 122 HG12 VAL 122 120.699 -5.336 6.814 936 HG13 VAL 122 HG13 VAL 122 120.752 -6.509 8.130 937 HG21 VAL 122 HG21 VAL 122 119.071 -8.146 8.211 938 HG22 VAL 122 HG22 VAL 122 120.102 -9.135 7.178 939 HG23 VAL 122 HG23 VAL 122 118.412 -8.875 6.748 940 H PHE 123 HN PHE 123 117.479 -4.472 6.284 941 HA PHE 123 HA PHE 123 119.004 -2.871 4.263 942 HB2 PHE 123 HB2 PHE 123 116.688 -2.515 3.880 943 HB3 PHE 123 HB1 PHE 123 116.318 -2.506 5.603 944 HD1 PHE 123 HD1 PHE 123 118.411 -0.642 3.107 945 HD2 PHE 123 HD2 PHE 123 116.005 -0.456 6.661 946 HE1 PHE 123 HE1 PHE 123 118.652 1.827 3.139 947 HE2 PHE 123 HE2 PHE 123 116.249 2.013 6.695 948 HZ PHE 123 HZ PHE 123 117.571 3.154 4.934 949 H THR 124 HN THR 124 120.683 -1.685 5.191 950 HA THR 124 HA THR 124 120.281 -0.767 8.005 951 HB THR 124 HB THR 124 121.651 -2.890 7.888 952 HG1 THR 124 HG1 THR 124 122.595 -2.137 9.595 953 HG21 THR 124 HG21 THR 124 122.807 -2.110 5.727 954 HG22 THR 124 HG22 THR 124 123.832 -2.855 6.953 955 HG23 THR 124 HG23 THR 124 123.811 -1.101 6.769 956 H VAL 125 HN VAL 125 121.163 1.184 8.526 957 HA VAL 125 HA VAL 125 122.912 2.553 6.540 958 HB VAL 125 HB VAL 125 121.617 4.549 6.578 959 HG11 VAL 125 HG11 VAL 125 119.387 2.540 6.636 960 HG12 VAL 125 HG12 VAL 125 120.638 2.408 5.400 961 HG13 VAL 125 HG13 VAL 125 119.660 3.871 5.513 962 HG21 VAL 125 HG21 VAL 125 120.216 3.253 8.925 963 HG22 VAL 125 HG22 VAL 125 119.523 4.634 8.074 964 HG23 VAL 125 HG23 VAL 125 121.081 4.790 8.885 965 H GLU 126 HN GLU 126 124.190 4.307 7.587 966 HA GLU 126 HA GLU 126 124.233 4.127 10.568 967 HB2 GLU 126 HB2 GLU 126 126.664 3.922 10.563 968 HB3 GLU 126 HB1 GLU 126 125.969 2.604 9.618 969 HG2 GLU 126 HG2 GLU 126 126.366 3.915 7.543 970 HG3 GLU 126 HG1 GLU 126 127.132 5.177 8.509 971 H ALA 127 HN ALA 127 125.302 5.972 11.589 972 HA ALA 127 HA ALA 127 126.213 8.233 10.036 973 HB1 ALA 127 HB1 ALA 127 123.520 8.563 11.387 974 HB2 ALA 127 HB2 ALA 127 123.714 8.307 9.653 975 HB3 ALA 127 HB3 ALA 127 124.377 9.755 10.410 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 117.322 14.479 -6.696 2 H2 GLU 1 HT2 GLU 1 118.260 13.769 -5.470 3 H3 GLU 1 HT3 GLU 1 118.153 15.460 -5.590 4 HA GLU 1 HA GLU 1 116.689 15.071 -3.888 5 HB2 GLU 1 HB2 GLU 1 115.122 14.825 -6.473 6 HB3 GLU 1 HB1 GLU 1 114.384 15.138 -4.901 7 HG2 GLU 1 HG2 GLU 1 115.693 17.193 -4.662 8 HG3 GLU 1 HG1 GLU 1 116.512 16.871 -6.190 9 H LYS 2 HN LYS 2 117.832 12.420 -5.067 10 HA LYS 2 HA LYS 2 115.642 10.526 -4.796 11 HB2 LYS 2 HB2 LYS 2 118.628 9.994 -4.633 12 HB3 LYS 2 HB1 LYS 2 117.361 8.824 -5.001 13 HG2 LYS 2 HG2 LYS 2 117.835 11.278 -6.697 14 HG3 LYS 2 HG1 LYS 2 118.639 9.743 -7.015 15 HD2 LYS 2 HD2 LYS 2 116.408 8.644 -7.173 16 HD3 LYS 2 HD1 LYS 2 115.641 10.213 -6.952 17 HE2 LYS 2 HE2 LYS 2 116.746 11.066 -8.972 18 HE3 LYS 2 HE1 LYS 2 117.528 9.503 -9.205 19 HZ1 LYS 2 HZ1 LYS 2 115.170 8.574 -9.154 20 HZ2 LYS 2 HZ2 LYS 2 115.656 9.411 -10.552 21 HZ3 LYS 2 HZ3 LYS 2 114.659 10.172 -9.405 22 H VAL 3 HN VAL 3 115.497 8.924 -3.058 23 HA VAL 3 HA VAL 3 116.265 10.124 -0.439 24 HB VAL 3 HB VAL 3 114.173 8.073 -1.218 25 HG11 VAL 3 HG11 VAL 3 114.659 7.283 0.887 26 HG12 VAL 3 HG12 VAL 3 113.588 8.604 1.349 27 HG13 VAL 3 HG13 VAL 3 115.336 8.817 1.428 28 HG21 VAL 3 HG21 VAL 3 114.174 10.974 -0.458 29 HG22 VAL 3 HG22 VAL 3 112.792 9.983 -0.002 30 HG23 VAL 3 HG23 VAL 3 113.239 10.145 -1.699 31 H LYS 4 HN LYS 4 117.716 9.079 0.879 32 HA LYS 4 HA LYS 4 119.248 6.875 -0.111 33 HB2 LYS 4 HB2 LYS 4 118.935 8.051 2.663 34 HB3 LYS 4 HB1 LYS 4 120.023 6.705 2.328 35 HG2 LYS 4 HG2 LYS 4 120.181 9.178 0.632 36 HG3 LYS 4 HG1 LYS 4 120.934 9.169 2.227 37 HD2 LYS 4 HD2 LYS 4 122.197 7.132 1.614 38 HD3 LYS 4 HD1 LYS 4 121.477 7.178 0.007 39 HE2 LYS 4 HE2 LYS 4 123.682 8.212 -0.079 40 HE3 LYS 4 HE1 LYS 4 122.450 9.449 -0.328 41 HZ1 LYS 4 HZ1 LYS 4 124.040 10.258 1.235 42 HZ2 LYS 4 HZ2 LYS 4 123.905 8.860 2.191 43 HZ3 LYS 4 HZ3 LYS 4 122.601 9.943 2.074 44 H GLY 5 HN GLY 5 118.510 4.822 -0.325 45 HA2 GLY 5 HA2 GLY 5 117.385 3.327 1.821 46 HA3 GLY 5 HA1 GLY 5 116.070 3.881 0.787 47 H CYS 6 HN CYS 6 116.884 1.134 1.161 48 HA CYS 6 HA CYS 6 118.138 0.449 -1.446 49 HB2 CYS 6 HB2 CYS 6 118.811 -0.562 0.859 50 HB3 CYS 6 HB1 CYS 6 117.369 -1.552 0.666 51 H ASP 7 HN ASP 7 116.930 -0.378 -3.076 52 HA ASP 7 HA ASP 7 114.047 -0.915 -2.518 53 HB2 ASP 7 HB2 ASP 7 114.752 0.835 -4.251 54 HB3 ASP 7 HB1 ASP 7 115.320 -0.514 -5.232 55 H PHE 8 HN PHE 8 113.783 -3.077 -2.132 56 HA PHE 8 HA PHE 8 115.456 -5.052 -3.553 57 HB2 PHE 8 HB2 PHE 8 113.253 -5.375 -1.494 58 HB3 PHE 8 HB1 PHE 8 114.199 -6.703 -2.161 59 HD1 PHE 8 HD2 PHE 8 116.675 -6.784 -1.759 60 HD2 PHE 8 HD1 PHE 8 114.129 -3.929 0.190 61 HE1 PHE 8 HE2 PHE 8 118.449 -6.352 -0.080 62 HE2 PHE 8 HE1 PHE 8 115.902 -3.497 1.870 63 HZ PHE 8 HZ PHE 8 118.061 -4.707 1.735 64 H THR 9 HN THR 9 112.751 -3.320 -4.269 65 HA THR 9 HA THR 9 111.382 -5.545 -5.698 66 HB THR 9 HB THR 9 110.461 -2.675 -5.467 67 HG1 THR 9 HG1 THR 9 110.531 -4.716 -3.618 68 HG21 THR 9 HG21 THR 9 109.354 -4.094 -7.156 69 HG22 THR 9 HG22 THR 9 108.253 -3.695 -5.836 70 HG23 THR 9 HG23 THR 9 108.999 -5.292 -5.911 71 H THR 10 HN THR 10 113.520 -2.891 -6.307 72 HA THR 10 HA THR 10 113.439 -3.514 -9.178 73 HB THR 10 HB THR 10 112.940 -0.655 -8.342 74 HG1 THR 10 HG1 THR 10 110.866 -2.020 -9.478 75 HG21 THR 10 HG21 THR 10 113.871 -0.972 -10.573 76 HG22 THR 10 HG22 THR 10 112.178 -0.496 -10.709 77 HG23 THR 10 HG23 THR 10 112.641 -2.182 -10.942 78 H SER 11 HN SER 11 115.534 -3.492 -9.859 79 HA SER 11 HA SER 11 117.652 -2.496 -8.193 80 HB2 SER 11 HB2 SER 11 119.102 -3.001 -10.138 81 HB3 SER 11 HB1 SER 11 118.001 -4.330 -9.793 82 HG SER 11 HG SER 11 116.588 -3.227 -11.391 83 H GLU 12 HN GLU 12 115.725 -1.119 -10.740 84 HA GLU 12 HA GLU 12 117.431 1.341 -10.716 85 HB2 GLU 12 HB2 GLU 12 115.345 0.397 -12.713 86 HB3 GLU 12 HB1 GLU 12 116.230 1.918 -12.825 87 HG2 GLU 12 HG2 GLU 12 117.534 0.528 -14.170 88 HG3 GLU 12 HG1 GLU 12 118.350 0.368 -12.614 89 H SER 13 HN SER 13 116.296 1.683 -8.536 90 HA SER 13 HA SER 13 113.465 2.287 -8.543 91 HB2 SER 13 HB2 SER 13 114.954 1.629 -6.539 92 HB3 SER 13 HB1 SER 13 115.446 3.321 -6.526 93 HG SER 13 HG SER 13 113.059 2.149 -5.809 94 H THR 14 HN THR 14 112.574 4.416 -8.128 95 HA THR 14 HA THR 14 114.086 6.548 -9.576 96 HB THR 14 HB THR 14 112.004 6.274 -10.652 97 HG1 THR 14 HG1 THR 14 111.677 8.233 -8.632 98 HG21 THR 14 HG21 THR 14 109.886 5.966 -9.447 99 HG22 THR 14 HG22 THR 14 110.728 6.100 -7.912 100 HG23 THR 14 HG23 THR 14 111.048 4.732 -8.972 101 H ILE 15 HN ILE 15 111.983 6.042 -6.745 102 HA ILE 15 HA ILE 15 112.793 8.624 -5.608 103 HB ILE 15 HB ILE 15 111.289 7.893 -3.711 104 HG12 ILE 15 HG12 ILE 15 110.673 5.582 -5.576 105 HG13 ILE 15 HG11 ILE 15 111.665 5.438 -4.128 106 HG21 ILE 15 HG21 ILE 15 109.282 8.317 -4.928 107 HG22 ILE 15 HG22 ILE 15 109.943 7.618 -6.404 108 HG23 ILE 15 HG23 ILE 15 110.553 9.162 -5.811 109 HD11 ILE 15 HD11 ILE 15 109.210 4.831 -3.830 110 HD12 ILE 15 HD12 ILE 15 108.850 6.540 -4.076 111 HD13 ILE 15 HD13 ILE 15 109.834 6.035 -2.702 112 H PHE 16 HN PHE 16 113.966 5.409 -5.531 113 HA PHE 16 HA PHE 16 115.389 5.950 -2.946 114 HB2 PHE 16 HB2 PHE 16 114.788 3.348 -4.363 115 HB3 PHE 16 HB1 PHE 16 115.839 3.474 -2.964 116 HD1 PHE 16 HD2 PHE 16 114.820 4.783 -0.901 117 HD2 PHE 16 HD1 PHE 16 112.501 2.988 -4.041 118 HE1 PHE 16 HE2 PHE 16 112.838 4.739 0.587 119 HE2 PHE 16 HE1 PHE 16 110.519 2.951 -2.558 120 HZ PHE 16 HZ PHE 16 110.688 3.820 -0.239 121 H SER 17 HN SER 17 117.590 6.066 -2.949 122 HA SER 17 HA SER 17 118.959 6.396 -5.477 123 HB2 SER 17 HB2 SER 17 119.426 7.548 -3.196 124 HB3 SER 17 HB1 SER 17 120.348 6.095 -2.824 125 HG SER 17 HG SER 17 121.797 7.379 -3.800 126 H LYS 18 HN LYS 18 118.634 3.711 -3.215 127 HA LYS 18 HA LYS 18 120.564 2.180 -4.938 128 HB2 LYS 18 HB2 LYS 18 120.036 1.884 -1.968 129 HB3 LYS 18 HB1 LYS 18 121.096 0.847 -2.920 130 HG2 LYS 18 HG2 LYS 18 121.450 3.848 -2.703 131 HG3 LYS 18 HG1 LYS 18 122.297 2.690 -1.677 132 HD2 LYS 18 HD2 LYS 18 123.000 1.574 -3.931 133 HD3 LYS 18 HD1 LYS 18 122.563 3.126 -4.644 134 HE2 LYS 18 HE2 LYS 18 124.484 2.824 -2.327 135 HE3 LYS 18 HE1 LYS 18 124.984 2.957 -4.013 136 HZ1 LYS 18 HZ1 LYS 18 124.974 5.094 -2.795 137 HZ2 LYS 18 HZ2 LYS 18 123.290 4.955 -2.619 138 HZ3 LYS 18 HZ3 LYS 18 123.976 5.096 -4.166 139 H GLY 19 HN GLY 19 119.827 0.320 -5.815 140 HA2 GLY 19 HA2 GLY 19 117.443 -0.987 -4.632 141 HA3 GLY 19 HA1 GLY 19 117.346 -0.486 -6.320 142 H TYR 20 HN TYR 20 117.205 -3.214 -5.366 143 HA TYR 20 HA TYR 20 119.699 -4.325 -6.604 144 HB2 TYR 20 HB2 TYR 20 118.052 -5.289 -4.275 145 HB3 TYR 20 HB1 TYR 20 119.038 -6.413 -5.209 146 HD1 TYR 20 HD1 TYR 20 119.277 -3.075 -3.509 147 HD2 TYR 20 HD2 TYR 20 121.276 -6.710 -4.627 148 HE1 TYR 20 HE1 TYR 20 121.290 -2.358 -2.253 149 HE2 TYR 20 HE2 TYR 20 123.288 -5.991 -3.368 150 HH TYR 20 HH TYR 20 123.429 -4.005 -1.112 151 H SER 21 HN SER 21 119.388 -6.204 -7.940 152 HA SER 21 HA SER 21 116.743 -6.236 -9.258 153 HB2 SER 21 HB2 SER 21 118.995 -6.240 -10.499 154 HB3 SER 21 HB1 SER 21 119.155 -7.913 -9.978 155 HG SER 21 HG SER 21 116.835 -6.948 -11.278 156 H ILE 22 HN ILE 22 115.462 -8.165 -9.421 157 HA ILE 22 HA ILE 22 115.353 -9.787 -7.099 158 HB ILE 22 HB ILE 22 113.814 -11.225 -8.388 159 HG12 ILE 22 HG12 ILE 22 114.560 -9.465 -10.745 160 HG13 ILE 22 HG11 ILE 22 115.142 -11.116 -10.526 161 HG21 ILE 22 HG21 ILE 22 113.473 -8.259 -8.922 162 HG22 ILE 22 HG22 ILE 22 113.001 -9.098 -7.444 163 HG23 ILE 22 HG23 ILE 22 112.185 -9.464 -8.965 164 HD11 ILE 22 HD11 ILE 22 112.227 -10.300 -10.703 165 HD12 ILE 22 HD12 ILE 22 112.828 -11.948 -10.515 166 HD13 ILE 22 HD13 ILE 22 113.156 -11.054 -11.999 167 H ASN 23 HN ASN 23 117.135 -10.180 -10.096 168 HA ASN 23 HA ASN 23 117.803 -12.956 -9.752 169 HB2 ASN 23 HB2 ASN 23 118.088 -11.818 -11.909 170 HB3 ASN 23 HB1 ASN 23 119.312 -10.763 -11.203 171 HD21 ASN 23 HD21 ASN 23 121.348 -11.459 -11.862 172 HD22 ASN 23 HD22 ASN 23 121.838 -13.081 -11.970 173 H GLU 24 HN GLU 24 119.392 -9.944 -8.736 174 HA GLU 24 HA GLU 24 121.754 -11.166 -7.688 175 HB2 GLU 24 HB2 GLU 24 120.350 -8.585 -6.940 176 HB3 GLU 24 HB1 GLU 24 121.946 -9.045 -6.349 177 HG2 GLU 24 HG2 GLU 24 121.201 -8.772 -9.276 178 HG3 GLU 24 HG1 GLU 24 122.077 -7.558 -8.342 179 H ILE 25 HN ILE 25 118.669 -10.288 -6.088 180 HA ILE 25 HA ILE 25 119.596 -11.433 -3.558 181 HB ILE 25 HB ILE 25 117.225 -11.000 -2.828 182 HG12 ILE 25 HG12 ILE 25 116.963 -9.728 -5.561 183 HG13 ILE 25 HG11 ILE 25 116.278 -11.305 -5.159 184 HG21 ILE 25 HG21 ILE 25 118.339 -8.560 -4.202 185 HG22 ILE 25 HG22 ILE 25 119.197 -9.304 -2.853 186 HG23 ILE 25 HG23 ILE 25 117.564 -8.683 -2.624 187 HD11 ILE 25 HD11 ILE 25 114.711 -9.281 -4.918 188 HD12 ILE 25 HD12 ILE 25 115.685 -8.838 -3.516 189 HD13 ILE 25 HD13 ILE 25 114.812 -10.370 -3.535 190 H SER 26 HN SER 26 118.212 -12.660 -6.419 191 HA SER 26 HA SER 26 117.051 -15.013 -5.027 192 HB2 SER 26 HB2 SER 26 117.095 -14.292 -7.974 193 HB3 SER 26 HB1 SER 26 116.233 -15.654 -7.263 194 HG SER 26 HG SER 26 115.054 -14.122 -6.015 195 H ASN 27 HN ASN 27 119.030 -14.694 -7.990 196 HA ASN 27 HA ASN 27 120.184 -17.253 -7.895 197 HB2 ASN 27 HB2 ASN 27 120.379 -15.498 -9.752 198 HB3 ASN 27 HB1 ASN 27 121.695 -14.797 -8.809 199 HD21 ASN 27 HD21 ASN 27 123.428 -15.404 -10.231 200 HD22 ASN 27 HD22 ASN 27 123.845 -17.022 -10.528 201 H LYS 28 HN LYS 28 120.621 -17.665 -5.638 202 HA LYS 28 HA LYS 28 122.221 -16.178 -3.895 203 HB2 LYS 28 HB2 LYS 28 122.956 -18.499 -3.010 204 HB3 LYS 28 HB1 LYS 28 121.232 -18.124 -2.993 205 HG2 LYS 28 HG2 LYS 28 120.967 -19.303 -5.159 206 HG3 LYS 28 HG1 LYS 28 122.679 -19.711 -5.135 207 HD2 LYS 28 HD2 LYS 28 122.354 -20.925 -3.004 208 HD3 LYS 28 HD1 LYS 28 120.632 -20.551 -3.068 209 HE2 LYS 28 HE2 LYS 28 122.121 -22.070 -5.228 210 HE3 LYS 28 HE1 LYS 28 121.182 -22.836 -3.948 211 HZ1 LYS 28 HZ1 LYS 28 119.887 -22.569 -5.975 212 HZ2 LYS 28 HZ2 LYS 28 120.128 -20.888 -5.926 213 HZ3 LYS 28 HZ3 LYS 28 119.226 -21.655 -4.708 214 H SER 29 HN SER 29 123.986 -15.147 -4.845 215 HA SER 29 HA SER 29 126.051 -16.908 -6.111 216 HB2 SER 29 HB2 SER 29 126.927 -14.884 -7.142 217 HB3 SER 29 HB1 SER 29 125.198 -14.988 -7.463 218 HG SER 29 HG SER 29 125.624 -13.744 -5.128 219 H SER 30 HN SER 30 126.963 -13.784 -4.994 220 HA SER 30 HA SER 30 128.355 -15.022 -2.642 221 HB2 SER 30 HB2 SER 30 130.264 -13.528 -3.116 222 HB3 SER 30 HB1 SER 30 129.955 -14.623 -4.460 223 HG SER 30 HG SER 30 130.049 -12.003 -4.517 224 H ASN 31 HN ASN 31 128.048 -11.698 -3.906 225 HA ASN 31 HA ASN 31 127.719 -10.554 -1.296 226 HB2 ASN 31 HB2 ASN 31 128.454 -9.319 -3.380 227 HB3 ASN 31 HB1 ASN 31 126.775 -9.365 -3.920 228 HD21 ASN 31 HD21 ASN 31 126.324 -7.102 -3.700 229 HD22 ASN 31 HD22 ASN 31 126.339 -6.304 -2.202 230 H ASN 32 HN ASN 32 125.744 -12.726 -2.470 231 HA ASN 32 HA ASN 32 123.453 -11.816 -0.966 232 HB2 ASN 32 HB2 ASN 32 121.885 -11.823 -2.972 233 HB3 ASN 32 HB1 ASN 32 122.964 -10.430 -2.863 234 HD21 ASN 32 HD21 ASN 32 123.123 -10.034 -5.141 235 HD22 ASN 32 HD22 ASN 32 123.865 -11.127 -6.209 236 H GLN 33 HN GLN 33 124.014 -13.961 -0.092 237 HA GLN 33 HA GLN 33 122.710 -16.118 -1.675 238 HB2 GLN 33 HB2 GLN 33 124.501 -17.692 -1.094 239 HB3 GLN 33 HB1 GLN 33 125.160 -16.328 -1.998 240 HG2 GLN 33 HG2 GLN 33 125.851 -15.257 0.117 241 HG3 GLN 33 HG1 GLN 33 125.204 -16.627 1.020 242 HE21 GLN 33 HE21 GLN 33 127.081 -17.671 1.779 243 HE22 GLN 33 HE22 GLN 33 128.351 -18.187 0.779 244 H GLN 34 HN GLN 34 123.805 -14.896 1.450 245 HA GLN 34 HA GLN 34 121.899 -16.802 2.763 246 HB2 GLN 34 HB2 GLN 34 123.307 -16.553 4.789 247 HB3 GLN 34 HB1 GLN 34 124.223 -17.213 3.435 248 HG2 GLN 34 HG2 GLN 34 124.985 -14.855 2.923 249 HG3 GLN 34 HG1 GLN 34 124.248 -14.359 4.446 250 HE21 GLN 34 HE21 GLN 34 126.224 -13.884 5.569 251 HE22 GLN 34 HE22 GLN 34 127.360 -15.083 5.959 252 H ASP 35 HN ASP 35 123.260 -13.504 2.918 253 HA ASP 35 HA ASP 35 120.619 -12.563 3.897 254 HB2 ASP 35 HB2 ASP 35 123.111 -11.564 5.267 255 HB3 ASP 35 HB1 ASP 35 121.443 -11.556 5.842 256 H ILE 36 HN ILE 36 120.075 -10.777 2.671 257 HA ILE 36 HA ILE 36 122.228 -9.438 1.140 258 HB ILE 36 HB ILE 36 119.302 -8.691 1.099 259 HG12 ILE 36 HG12 ILE 36 119.315 -11.113 0.857 260 HG13 ILE 36 HG11 ILE 36 119.053 -10.396 -0.733 261 HG21 ILE 36 HG21 ILE 36 121.291 -8.832 -1.171 262 HG22 ILE 36 HG22 ILE 36 121.194 -7.424 -0.116 263 HG23 ILE 36 HG23 ILE 36 119.798 -7.900 -1.082 264 HD11 ILE 36 HD11 ILE 36 121.616 -11.561 0.374 265 HD12 ILE 36 HD12 ILE 36 121.564 -10.568 -1.081 266 HD13 ILE 36 HD13 ILE 36 120.702 -12.105 -1.034 267 H VAL 37 HN VAL 37 123.171 -7.622 1.961 268 HA VAL 37 HA VAL 37 121.618 -6.031 3.975 269 HB VAL 37 HB VAL 37 124.609 -6.491 3.824 270 HG11 VAL 37 HG11 VAL 37 122.845 -4.761 5.555 271 HG12 VAL 37 HG12 VAL 37 124.328 -4.322 4.708 272 HG13 VAL 37 HG13 VAL 37 124.403 -5.343 6.144 273 HG21 VAL 37 HG21 VAL 37 123.054 -8.376 4.660 274 HG22 VAL 37 HG22 VAL 37 122.712 -7.316 6.028 275 HG23 VAL 37 HG23 VAL 37 124.360 -7.876 5.735 276 H CYS 38 HN CYS 38 121.229 -3.972 3.384 277 HA CYS 38 HA CYS 38 122.826 -2.829 1.131 278 HB2 CYS 38 HB2 CYS 38 120.145 -2.015 2.308 279 HB3 CYS 38 HB1 CYS 38 120.973 -1.153 1.011 280 H THR 39 HN THR 39 124.609 -1.884 2.123 281 HA THR 39 HA THR 39 124.183 -0.316 4.600 282 HB THR 39 HB THR 39 126.704 -1.061 3.088 283 HG1 THR 39 HG1 THR 39 125.200 -2.186 5.083 284 HG21 THR 39 HG21 THR 39 127.209 0.981 4.169 285 HG22 THR 39 HG22 THR 39 127.756 -0.256 5.302 286 HG23 THR 39 HG23 THR 39 126.225 0.576 5.575 287 H VAL 40 HN VAL 40 123.767 1.813 4.447 288 HA VAL 40 HA VAL 40 125.088 3.373 2.274 289 HB VAL 40 HB VAL 40 122.942 4.619 1.907 290 HG11 VAL 40 HG11 VAL 40 121.872 2.839 0.560 291 HG12 VAL 40 HG12 VAL 40 122.841 1.629 1.402 292 HG13 VAL 40 HG13 VAL 40 123.625 2.823 0.369 293 HG21 VAL 40 HG21 VAL 40 121.754 2.333 3.507 294 HG22 VAL 40 HG22 VAL 40 120.855 3.632 2.722 295 HG23 VAL 40 HG23 VAL 40 121.909 3.991 4.090 296 H LYS 41 HN LYS 41 125.236 5.680 2.816 297 HA LYS 41 HA LYS 41 125.230 6.086 5.769 298 HB2 LYS 41 HB2 LYS 41 126.583 7.610 3.523 299 HB3 LYS 41 HB1 LYS 41 126.661 8.072 5.224 300 HG2 LYS 41 HG2 LYS 41 127.661 5.885 5.778 301 HG3 LYS 41 HG1 LYS 41 127.589 5.423 4.076 302 HD2 LYS 41 HD2 LYS 41 129.082 7.277 3.485 303 HD3 LYS 41 HD1 LYS 41 129.123 7.800 5.169 304 HE2 LYS 41 HE2 LYS 41 131.098 6.520 4.916 305 HE3 LYS 41 HE1 LYS 41 129.964 5.414 5.693 306 HZ1 LYS 41 HZ1 LYS 41 130.238 5.552 2.752 307 HZ2 LYS 41 HZ2 LYS 41 129.557 4.313 3.693 308 HZ3 LYS 41 HZ3 LYS 41 131.238 4.556 3.692 309 H ALA 42 HN ALA 42 123.802 7.490 6.695 310 HA ALA 42 HA ALA 42 121.934 8.922 4.882 311 HB1 ALA 42 HB1 ALA 42 121.749 8.610 7.890 312 HB2 ALA 42 HB2 ALA 42 121.095 7.429 6.753 313 HB3 ALA 42 HB3 ALA 42 120.466 9.076 6.775 314 H HIS 43 HN HIS 43 121.387 11.186 5.367 315 HA HIS 43 HA HIS 43 123.516 12.639 6.886 316 HB2 HIS 43 HB2 HIS 43 123.755 12.607 4.281 317 HB3 HIS 43 HB1 HIS 43 122.407 13.742 4.317 318 HD1 HIS 43 HD1 HIS 43 125.778 13.350 6.074 319 HD2 HIS 43 HD2 HIS 43 123.256 16.345 4.639 320 HE1 HIS 43 HE1 HIS 43 126.982 15.548 6.459 321 HE2 HIS 43 HE2 HIS 43 125.454 17.376 5.590 322 H ALA 44 HN ALA 44 122.818 14.677 7.737 323 HA ALA 44 HA ALA 44 120.217 14.759 8.811 324 HB1 ALA 44 HB1 ALA 44 121.713 17.299 8.201 325 HB2 ALA 44 HB2 ALA 44 122.343 16.163 9.394 326 HB3 ALA 44 HB3 ALA 44 120.759 16.893 9.624 327 H ASN 45 HN ASN 45 121.339 15.770 5.667 328 HA ASN 45 HA ASN 45 118.749 17.136 5.129 329 HB2 ASN 45 HB2 ASN 45 121.342 16.984 3.567 330 HB3 ASN 45 HB1 ASN 45 119.883 17.765 2.960 331 HD21 ASN 45 HD21 ASN 45 122.347 19.208 3.486 332 HD22 ASN 45 HD22 ASN 45 122.045 20.294 4.754 333 H ASP 46 HN ASP 46 120.556 14.248 4.388 334 HA ASP 46 HA ASP 46 118.986 13.507 2.058 335 HB2 ASP 46 HB2 ASP 46 120.947 12.074 3.844 336 HB3 ASP 46 HB1 ASP 46 120.033 11.199 2.620 337 H LEU 47 HN LEU 47 117.077 12.366 2.003 338 HA LEU 47 HA LEU 47 115.645 11.930 4.503 339 HB2 LEU 47 HB2 LEU 47 114.939 11.028 1.690 340 HB3 LEU 47 HB1 LEU 47 113.843 11.087 3.068 341 HG LEU 47 HG LEU 47 115.250 13.478 1.843 342 HD11 LEU 47 HD11 LEU 47 113.577 13.026 0.300 343 HD12 LEU 47 HD12 LEU 47 112.671 14.003 1.454 344 HD13 LEU 47 HD13 LEU 47 112.539 12.244 1.493 345 HD21 LEU 47 HD21 LEU 47 114.900 14.194 4.007 346 HD22 LEU 47 HD22 LEU 47 113.592 13.046 4.292 347 HD23 LEU 47 HD23 LEU 47 113.291 14.513 3.367 348 H ILE 48 HN ILE 48 115.110 9.871 5.423 349 HA ILE 48 HA ILE 48 116.777 7.602 4.359 350 HB ILE 48 HB ILE 48 116.660 6.761 6.754 351 HG12 ILE 48 HG12 ILE 48 115.978 9.619 7.438 352 HG13 ILE 48 HG11 ILE 48 114.711 8.414 7.242 353 HG21 ILE 48 HG21 ILE 48 118.002 9.449 6.352 354 HG22 ILE 48 HG22 ILE 48 118.638 7.920 5.745 355 HG23 ILE 48 HG23 ILE 48 118.489 8.185 7.483 356 HD11 ILE 48 HD11 ILE 48 115.618 7.047 8.996 357 HD12 ILE 48 HD12 ILE 48 115.536 8.692 9.616 358 HD13 ILE 48 HD13 ILE 48 117.078 8.027 9.080 359 H GLY 49 HN GLY 49 115.741 5.707 3.924 360 HA2 GLY 49 HA2 GLY 49 113.361 4.748 5.134 361 HA3 GLY 49 HA1 GLY 49 112.899 5.645 3.683 362 H PHE 50 HN PHE 50 112.203 3.173 3.328 363 HA PHE 50 HA PHE 50 114.029 2.159 1.306 364 HB2 PHE 50 HB2 PHE 50 114.468 -0.022 2.331 365 HB3 PHE 50 HB1 PHE 50 115.098 1.264 3.360 366 HD1 PHE 50 HD2 PHE 50 113.987 1.862 5.464 367 HD2 PHE 50 HD1 PHE 50 112.519 -1.327 2.988 368 HE1 PHE 50 HE2 PHE 50 112.583 1.050 7.340 369 HE2 PHE 50 HE1 PHE 50 111.116 -2.138 4.864 370 HZ PHE 50 HZ PHE 50 111.149 -0.951 7.040 371 H LYS 51 HN LYS 51 113.117 0.029 0.372 372 HA LYS 51 HA LYS 51 110.197 -0.262 0.878 373 HB2 LYS 51 HB2 LYS 51 110.386 1.411 -0.913 374 HB3 LYS 51 HB1 LYS 51 111.389 0.305 -1.852 375 HG2 LYS 51 HG2 LYS 51 109.544 -1.307 -1.964 376 HG3 LYS 51 HG1 LYS 51 108.537 -0.247 -0.977 377 HD2 LYS 51 HD2 LYS 51 108.691 1.508 -2.712 378 HD3 LYS 51 HD1 LYS 51 109.679 0.435 -3.705 379 HE2 LYS 51 HE2 LYS 51 107.834 -1.189 -3.811 380 HE3 LYS 51 HE1 LYS 51 106.844 -0.143 -2.793 381 HZ1 LYS 51 HZ1 LYS 51 106.502 0.022 -5.280 382 HZ2 LYS 51 HZ2 LYS 51 108.012 0.798 -5.344 383 HZ3 LYS 51 HZ3 LYS 51 106.739 1.482 -4.450 384 H CYS 52 HN CYS 52 109.437 -2.336 0.428 385 HA CYS 52 HA CYS 52 111.413 -4.287 -0.674 386 HB2 CYS 52 HB2 CYS 52 109.565 -4.551 1.717 387 HB3 CYS 52 HB1 CYS 52 110.325 -5.941 0.951 388 HA PRO 53 HA PRO 53 108.311 -5.428 -3.614 389 HB2 PRO 53 HB2 PRO 53 108.363 -8.241 -3.267 390 HB3 PRO 53 HB1 PRO 53 109.347 -7.298 -4.399 391 HG2 PRO 53 HG2 PRO 53 110.047 -8.369 -1.729 392 HG3 PRO 53 HG1 PRO 53 111.065 -8.141 -3.159 393 HD2 PRO 53 HD2 PRO 53 111.238 -6.495 -1.036 394 HD3 PRO 53 HD1 PRO 53 111.434 -5.887 -2.695 395 H SER 54 HN SER 54 106.100 -5.988 -3.706 396 HA SER 54 HA SER 54 104.682 -5.951 -1.186 397 HB2 SER 54 HB2 SER 54 102.663 -6.082 -2.571 398 HB3 SER 54 HB1 SER 54 103.792 -4.913 -3.248 399 HG SER 54 HG SER 54 103.204 -7.541 -4.103 400 H ASN 55 HN ASN 55 106.071 -8.504 -2.962 401 HA ASN 55 HA ASN 55 104.084 -10.497 -2.054 402 HB2 ASN 55 HB2 ASN 55 106.678 -10.791 -3.601 403 HB3 ASN 55 HB1 ASN 55 105.569 -12.115 -3.239 404 HD21 ASN 55 HD21 ASN 55 106.371 -10.191 -5.750 405 HD22 ASN 55 HD22 ASN 55 104.864 -10.030 -6.514 406 H TYR 56 HN TYR 56 106.574 -8.914 -0.599 407 HA TYR 56 HA TYR 56 107.399 -11.309 1.003 408 HB2 TYR 56 HB2 TYR 56 108.784 -8.733 0.337 409 HB3 TYR 56 HB1 TYR 56 109.259 -9.665 1.757 410 HD1 TYR 56 HD1 TYR 56 108.520 -10.148 -1.894 411 HD2 TYR 56 HD2 TYR 56 110.840 -11.357 1.508 412 HE1 TYR 56 HE1 TYR 56 109.834 -11.680 -3.335 413 HE2 TYR 56 HE2 TYR 56 112.155 -12.892 0.071 414 HH TYR 56 HH TYR 56 111.725 -14.126 -2.168 415 H SER 57 HN SER 57 107.803 -10.820 3.372 416 HA SER 57 HA SER 57 105.607 -9.055 4.373 417 HB2 SER 57 HB2 SER 57 105.518 -11.412 5.094 418 HB3 SER 57 HB1 SER 57 107.144 -11.277 5.753 419 HG SER 57 HG SER 57 106.092 -9.375 6.924 420 H VAL 58 HN VAL 58 106.127 -7.245 5.568 421 HA VAL 58 HA VAL 58 109.004 -6.655 5.885 422 HB VAL 58 HB VAL 58 108.392 -4.397 6.133 423 HG11 VAL 58 HG11 VAL 58 107.789 -5.469 3.897 424 HG12 VAL 58 HG12 VAL 58 106.971 -3.950 4.264 425 HG13 VAL 58 HG13 VAL 58 106.117 -5.480 4.460 426 HG21 VAL 58 HG21 VAL 58 105.896 -3.826 6.534 427 HG22 VAL 58 HG22 VAL 58 106.827 -4.425 7.907 428 HG23 VAL 58 HG23 VAL 58 105.736 -5.508 7.040 429 H GLU 59 HN GLU 59 110.034 -6.981 7.750 430 HA GLU 59 HA GLU 59 108.496 -6.900 10.301 431 HB2 GLU 59 HB2 GLU 59 110.440 -8.973 9.320 432 HB3 GLU 59 HB1 GLU 59 110.259 -8.682 11.050 433 HG2 GLU 59 HG2 GLU 59 108.070 -9.454 11.094 434 HG3 GLU 59 HG1 GLU 59 107.793 -9.081 9.389 435 HA PRO 60 HA PRO 60 111.895 -4.039 10.995 436 HB2 PRO 60 HB2 PRO 60 111.255 -3.239 13.504 437 HB3 PRO 60 HB1 PRO 60 110.317 -2.730 12.086 438 HG2 PRO 60 HG2 PRO 60 109.719 -4.847 14.093 439 HG3 PRO 60 HG1 PRO 60 108.630 -3.672 13.336 440 HD2 PRO 60 HD2 PRO 60 108.847 -6.301 12.523 441 HD3 PRO 60 HD1 PRO 60 108.317 -4.973 11.464 442 H HIS 61 HN HIS 61 113.885 -4.981 11.317 443 HA HIS 61 HA HIS 61 114.268 -6.841 13.587 444 HB2 HIS 61 HB2 HIS 61 115.210 -7.272 11.248 445 HB3 HIS 61 HB1 HIS 61 116.349 -5.965 11.570 446 HD1 HIS 61 HD1 HIS 61 117.878 -8.376 11.246 447 HD2 HIS 61 HD2 HIS 61 115.960 -7.657 14.877 448 HE1 HIS 61 HE1 HIS 61 119.044 -9.819 12.973 449 HE2 HIS 61 HE2 HIS 61 117.884 -9.386 15.186 450 H ASP 62 HN ASP 62 114.962 -3.608 12.570 451 HA ASP 62 HA ASP 62 115.697 -2.772 15.229 452 HB2 ASP 62 HB2 ASP 62 117.827 -3.852 14.579 453 HB3 ASP 62 HB1 ASP 62 117.916 -2.807 13.159 454 H CYS 63 HN CYS 63 113.815 -2.052 13.184 455 HA CYS 63 HA CYS 63 114.585 0.208 11.641 456 HB2 CYS 63 HB2 CYS 63 111.888 -0.494 12.836 457 HB3 CYS 63 HB1 CYS 63 112.148 0.738 11.610 458 H PHE 64 HN PHE 64 112.637 2.192 12.564 459 HA PHE 64 HA PHE 64 114.165 3.178 14.937 460 HB2 PHE 64 HB2 PHE 64 113.239 5.447 14.104 461 HB3 PHE 64 HB1 PHE 64 114.586 4.714 13.240 462 HD1 PHE 64 HD2 PHE 64 114.132 3.386 11.138 463 HD2 PHE 64 HD1 PHE 64 111.138 5.805 13.045 464 HE1 PHE 64 HE2 PHE 64 112.787 3.365 9.053 465 HE2 PHE 64 HE1 PHE 64 109.793 5.784 10.961 466 HZ PHE 64 HZ PHE 64 110.618 4.564 8.965 467 H VAL 65 HN VAL 65 110.840 3.548 13.537 468 HA VAL 65 HA VAL 65 109.615 4.635 15.790 469 HB VAL 65 HB VAL 65 108.505 2.523 13.910 470 HG11 VAL 65 HG11 VAL 65 107.164 2.471 15.910 471 HG12 VAL 65 HG12 VAL 65 106.278 3.429 14.724 472 HG13 VAL 65 HG13 VAL 65 107.162 4.230 16.022 473 HG21 VAL 65 HG21 VAL 65 107.251 4.688 13.142 474 HG22 VAL 65 HG22 VAL 65 108.921 4.450 12.628 475 HG23 VAL 65 HG23 VAL 65 108.557 5.535 13.970 476 H SER 66 HN SER 66 109.923 1.140 15.113 477 HA SER 66 HA SER 66 110.425 0.595 17.942 478 HB2 SER 66 HB2 SER 66 107.910 0.739 17.787 479 HB3 SER 66 HB1 SER 66 107.958 -0.597 16.640 480 HG SER 66 HG SER 66 108.403 -1.938 18.221 481 H ALA 67 HN ALA 67 111.828 -1.144 17.992 482 HA ALA 67 HA ALA 67 111.573 -3.401 16.212 483 HB1 ALA 67 HB1 ALA 67 112.407 -1.636 14.640 484 HB2 ALA 67 HB2 ALA 67 113.481 -3.017 14.770 485 HB3 ALA 67 HB3 ALA 67 113.862 -1.512 15.610 486 H PHE 68 HN PHE 68 113.858 -4.610 16.218 487 HA PHE 68 HA PHE 68 114.635 -4.774 19.072 488 HB2 PHE 68 HB2 PHE 68 115.620 -6.554 16.836 489 HB3 PHE 68 HB1 PHE 68 115.533 -6.919 18.557 490 HD1 PHE 68 HD1 PHE 68 113.404 -6.139 15.586 491 HD2 PHE 68 HD2 PHE 68 113.620 -7.965 19.468 492 HE1 PHE 68 HE1 PHE 68 111.138 -7.103 15.263 493 HE2 PHE 68 HE2 PHE 68 111.355 -8.922 19.144 494 HZ PHE 68 HZ PHE 68 110.115 -8.487 17.032 495 H ASN 69 HN ASN 69 116.485 -3.765 19.751 496 HA ASN 69 HA ASN 69 118.217 -2.407 17.879 497 HB2 ASN 69 HB2 ASN 69 118.449 -2.962 20.845 498 HB3 ASN 69 HB1 ASN 69 119.638 -2.016 19.947 499 HD21 ASN 69 HD21 ASN 69 118.086 -0.819 22.031 500 HD22 ASN 69 HD22 ASN 69 117.034 0.314 21.331 501 H LEU 70 HN LEU 70 120.780 -2.818 18.543 502 HA LEU 70 HA LEU 70 121.457 -5.267 17.227 503 HB2 LEU 70 HB2 LEU 70 123.029 -3.238 18.812 504 HB3 LEU 70 HB1 LEU 70 123.797 -4.720 18.242 505 HG LEU 70 HG LEU 70 122.974 -4.161 15.923 506 HD11 LEU 70 HD11 LEU 70 121.153 -2.682 16.397 507 HD12 LEU 70 HD12 LEU 70 122.390 -1.700 15.612 508 HD13 LEU 70 HD13 LEU 70 122.178 -1.620 17.361 509 HD21 LEU 70 HD21 LEU 70 124.771 -2.668 15.468 510 HD22 LEU 70 HD22 LEU 70 125.282 -3.567 16.896 511 HD23 LEU 70 HD23 LEU 70 124.660 -1.926 17.064 512 H SER 71 HN SER 71 120.732 -4.512 20.522 513 HA SER 71 HA SER 71 122.059 -6.894 21.618 514 HB2 SER 71 HB2 SER 71 120.062 -4.974 22.860 515 HB3 SER 71 HB1 SER 71 120.940 -6.229 23.729 516 HG SER 71 HG SER 71 122.842 -5.172 23.290 517 H GLY 72 HN GLY 72 119.268 -6.296 19.874 518 HA2 GLY 72 HA2 GLY 72 117.604 -7.845 19.225 519 HA3 GLY 72 HA1 GLY 72 118.235 -8.976 20.425 520 H LYS 73 HN LYS 73 117.604 -5.759 21.505 521 HA LYS 73 HA LYS 73 115.258 -6.783 23.042 522 HB2 LYS 73 HB2 LYS 73 116.863 -4.245 23.501 523 HB3 LYS 73 HB1 LYS 73 115.697 -4.981 24.600 524 HG2 LYS 73 HG2 LYS 73 118.174 -6.442 23.678 525 HG3 LYS 73 HG1 LYS 73 118.165 -5.427 25.119 526 HD2 LYS 73 HD2 LYS 73 116.283 -6.784 26.024 527 HD3 LYS 73 HD1 LYS 73 116.386 -7.833 24.613 528 HE2 LYS 73 HE2 LYS 73 118.699 -8.417 25.181 529 HE3 LYS 73 HE1 LYS 73 118.630 -7.350 26.584 530 HZ1 LYS 73 HZ1 LYS 73 117.162 -9.870 26.115 531 HZ2 LYS 73 HZ2 LYS 73 116.617 -8.733 27.252 532 HZ3 LYS 73 HZ3 LYS 73 118.148 -9.447 27.428 533 H ASN 74 HN ASN 74 113.245 -5.818 22.804 534 HA ASN 74 HA ASN 74 112.915 -4.073 20.470 535 HB2 ASN 74 HB2 ASN 74 111.321 -5.926 20.970 536 HB3 ASN 74 HB1 ASN 74 110.832 -5.073 22.434 537 HD21 ASN 74 HD21 ASN 74 108.762 -4.270 21.938 538 HD22 ASN 74 HD22 ASN 74 108.399 -3.350 20.559 539 H GLU 75 HN GLU 75 113.406 -1.948 20.783 540 HA GLU 75 HA GLU 75 112.020 -0.528 22.992 541 HB2 GLU 75 HB2 GLU 75 115.000 -0.363 22.433 542 HB3 GLU 75 HB1 GLU 75 114.125 0.743 23.493 543 HG2 GLU 75 HG2 GLU 75 114.248 -2.266 23.856 544 HG3 GLU 75 HG1 GLU 75 115.218 -1.104 24.757 545 H ASN 76 HN ASN 76 111.281 1.502 22.353 546 HA ASN 76 HA ASN 76 111.216 2.179 19.603 547 HB2 ASN 76 HB2 ASN 76 109.685 3.049 21.433 548 HB3 ASN 76 HB1 ASN 76 110.989 4.136 21.911 549 HD21 ASN 76 HD21 ASN 76 108.383 4.994 20.832 550 HD22 ASN 76 HD22 ASN 76 108.702 5.810 19.378 551 H LEU 77 HN LEU 77 112.451 3.646 18.358 552 HA LEU 77 HA LEU 77 115.155 4.202 19.446 553 HB2 LEU 77 HB2 LEU 77 114.645 3.061 17.152 554 HB3 LEU 77 HB1 LEU 77 114.300 4.700 16.603 555 HG LEU 77 HG LEU 77 116.568 5.388 17.448 556 HD11 LEU 77 HD11 LEU 77 117.329 3.845 18.994 557 HD12 LEU 77 HD12 LEU 77 118.096 3.183 17.554 558 HD13 LEU 77 HD13 LEU 77 116.594 2.482 18.152 559 HD21 LEU 77 HD21 LEU 77 115.996 4.633 15.050 560 HD22 LEU 77 HD22 LEU 77 116.795 3.118 15.471 561 HD23 LEU 77 HD23 LEU 77 117.701 4.632 15.505 562 H GLU 78 HN GLU 78 112.368 5.788 19.567 563 HA GLU 78 HA GLU 78 113.025 8.358 18.396 564 HB2 GLU 78 HB2 GLU 78 111.097 9.213 19.644 565 HB3 GLU 78 HB1 GLU 78 110.692 7.685 18.866 566 HG2 GLU 78 HG2 GLU 78 109.913 7.153 20.953 567 HG3 GLU 78 HG1 GLU 78 111.604 6.744 21.240 568 H ASN 79 HN ASN 79 113.415 6.960 21.635 569 HA ASN 79 HA ASN 79 114.237 9.369 22.939 570 HB2 ASN 79 HB2 ASN 79 115.108 6.527 23.546 571 HB3 ASN 79 HB1 ASN 79 115.187 7.901 24.650 572 HD21 ASN 79 HD21 ASN 79 113.363 5.222 24.121 573 HD22 ASN 79 HD22 ASN 79 111.843 5.786 24.622 574 H LYS 80 HN LYS 80 115.932 7.046 20.936 575 HA LYS 80 HA LYS 80 118.599 8.048 21.522 576 HB2 LYS 80 HB2 LYS 80 118.377 5.803 20.653 577 HB3 LYS 80 HB1 LYS 80 117.503 6.387 19.243 578 HG2 LYS 80 HG2 LYS 80 119.427 7.421 18.325 579 HG3 LYS 80 HG1 LYS 80 120.304 7.326 19.856 580 HD2 LYS 80 HD2 LYS 80 119.362 4.785 18.570 581 HD3 LYS 80 HD1 LYS 80 120.792 5.585 17.923 582 HE2 LYS 80 HE2 LYS 80 121.815 5.573 20.173 583 HE3 LYS 80 HE1 LYS 80 120.391 4.758 20.814 584 HZ1 LYS 80 HZ1 LYS 80 122.412 3.728 18.928 585 HZ2 LYS 80 HZ2 LYS 80 120.863 3.035 19.009 586 HZ3 LYS 80 HZ3 LYS 80 121.866 3.043 20.380 587 H LEU 81 HN LEU 81 116.365 8.457 18.762 588 HA LEU 81 HA LEU 81 117.614 11.112 18.259 589 HB2 LEU 81 HB2 LEU 81 118.547 9.260 16.732 590 HB3 LEU 81 HB1 LEU 81 116.939 9.205 16.013 591 HG LEU 81 HG LEU 81 117.114 11.654 15.536 592 HD11 LEU 81 HD11 LEU 81 118.652 12.625 16.962 593 HD12 LEU 81 HD12 LEU 81 119.711 12.337 15.587 594 HD13 LEU 81 HD13 LEU 81 119.714 11.218 16.949 595 HD21 LEU 81 HD21 LEU 81 118.950 9.587 14.405 596 HD22 LEU 81 HD22 LEU 81 119.211 11.253 13.901 597 HD23 LEU 81 HD23 LEU 81 117.655 10.479 13.619 598 H LYS 82 HN LYS 82 116.028 12.641 17.996 599 HA LYS 82 HA LYS 82 113.236 11.791 17.990 600 HB2 LYS 82 HB2 LYS 82 114.540 14.523 17.871 601 HB3 LYS 82 HB1 LYS 82 112.795 14.275 17.930 602 HG2 LYS 82 HG2 LYS 82 113.040 13.046 20.059 603 HG3 LYS 82 HG1 LYS 82 114.784 13.302 20.004 604 HD2 LYS 82 HD2 LYS 82 114.451 15.733 20.086 605 HD3 LYS 82 HD1 LYS 82 112.702 15.506 20.084 606 HE2 LYS 82 HE2 LYS 82 113.482 15.875 22.376 607 HE3 LYS 82 HE1 LYS 82 112.892 14.221 22.207 608 HZ1 LYS 82 HZ1 LYS 82 115.717 15.123 22.172 609 HZ2 LYS 82 HZ2 LYS 82 115.222 13.543 21.795 610 HZ3 LYS 82 HZ3 LYS 82 114.963 14.169 23.353 611 H LEU 83 HN LEU 83 113.044 10.711 15.951 612 HA LEU 83 HA LEU 83 113.723 12.023 13.459 613 HB2 LEU 83 HB2 LEU 83 111.944 9.651 14.080 614 HB3 LEU 83 HB1 LEU 83 112.348 10.170 12.446 615 HG LEU 83 HG LEU 83 114.422 9.463 14.540 616 HD11 LEU 83 HD11 LEU 83 112.790 7.603 13.650 617 HD12 LEU 83 HD12 LEU 83 114.525 7.289 13.693 618 HD13 LEU 83 HD13 LEU 83 113.745 7.736 12.175 619 HD21 LEU 83 HD21 LEU 83 115.521 10.766 12.949 620 HD22 LEU 83 HD22 LEU 83 114.459 10.254 11.641 621 HD23 LEU 83 HD23 LEU 83 115.703 9.161 12.247 622 H THR 84 HN THR 84 112.275 12.924 11.918 623 HA THR 84 HA THR 84 109.572 13.673 13.007 624 HB THR 84 HB THR 84 109.818 15.873 11.956 625 HG1 THR 84 HG1 THR 84 112.514 15.410 11.450 626 HG21 THR 84 HG21 THR 84 111.454 16.813 13.452 627 HG22 THR 84 HG22 THR 84 112.301 15.271 13.578 628 HG23 THR 84 HG23 THR 84 110.696 15.456 14.285 629 H ASN 85 HN ASN 85 108.020 14.254 11.210 630 HA ASN 85 HA ASN 85 106.921 13.624 9.243 631 HB2 ASN 85 HB2 ASN 85 109.783 13.769 8.285 632 HB3 ASN 85 HB1 ASN 85 108.425 13.503 7.200 633 HD21 ASN 85 HD21 ASN 85 109.767 15.803 6.663 634 HD22 ASN 85 HD22 ASN 85 108.945 17.166 7.246 635 H ILE 86 HN ILE 86 107.098 11.518 10.898 636 HA ILE 86 HA ILE 86 108.451 9.250 9.659 637 HB ILE 86 HB ILE 86 106.409 9.424 11.894 638 HG12 ILE 86 HG12 ILE 86 109.386 8.867 12.004 639 HG13 ILE 86 HG11 ILE 86 108.699 10.477 12.217 640 HG21 ILE 86 HG21 ILE 86 106.193 7.212 11.182 641 HG22 ILE 86 HG22 ILE 86 107.502 7.078 12.355 642 HG23 ILE 86 HG23 ILE 86 107.866 7.121 10.630 643 HD11 ILE 86 HD11 ILE 86 108.323 8.040 13.959 644 HD12 ILE 86 HD12 ILE 86 107.218 9.412 14.036 645 HD13 ILE 86 HD13 ILE 86 108.924 9.631 14.421 646 H ILE 87 HN ILE 87 107.645 8.048 8.024 647 HA ILE 87 HA ILE 87 104.683 8.084 7.537 648 HB ILE 87 HB ILE 87 106.922 7.930 5.490 649 HG12 ILE 87 HG12 ILE 87 106.698 10.193 6.387 650 HG13 ILE 87 HG11 ILE 87 106.030 10.142 4.756 651 HG21 ILE 87 HG21 ILE 87 104.985 6.633 4.788 652 HG22 ILE 87 HG22 ILE 87 105.047 8.129 3.854 653 HG23 ILE 87 HG23 ILE 87 103.907 7.970 5.190 654 HD11 ILE 87 HD11 ILE 87 104.330 11.260 5.873 655 HD12 ILE 87 HD12 ILE 87 104.605 10.389 7.377 656 HD13 ILE 87 HD13 ILE 87 103.776 9.597 6.043 657 H MET 88 HN MET 88 103.825 6.046 7.797 658 HA MET 88 HA MET 88 105.617 3.710 7.211 659 HB2 MET 88 HB2 MET 88 103.432 3.848 9.309 660 HB3 MET 88 HB1 MET 88 104.510 2.486 9.000 661 HG2 MET 88 HG2 MET 88 106.453 3.864 9.613 662 HG3 MET 88 HG1 MET 88 105.394 5.245 9.894 663 HE1 MET 88 HE1 MET 88 104.940 1.302 10.940 664 HE2 MET 88 HE2 MET 88 105.995 1.464 12.344 665 HE3 MET 88 HE3 MET 88 106.601 1.881 10.742 666 H ASP 89 HN ASP 89 104.874 3.076 5.222 667 HA ASP 89 HA ASP 89 101.912 2.724 4.890 668 HB2 ASP 89 HB2 ASP 89 104.124 3.147 2.867 669 HB3 ASP 89 HB1 ASP 89 102.493 2.651 2.416 670 H HIS 90 HN HIS 90 101.589 0.621 5.605 671 HA HIS 90 HA HIS 90 103.494 -1.503 5.111 672 HB2 HIS 90 HB2 HIS 90 100.635 -1.493 6.091 673 HB3 HIS 90 HB1 HIS 90 101.589 -2.969 5.927 674 HD1 HIS 90 HD1 HIS 90 103.763 -3.154 7.438 675 HD2 HIS 90 HD2 HIS 90 101.279 0.076 8.335 676 HE1 HIS 90 HE1 HIS 90 104.496 -2.294 9.706 677 HE2 HIS 90 HE2 HIS 90 102.990 -0.328 10.261 678 H TYR 91 HN TYR 91 100.516 -0.434 3.509 679 HA TYR 91 HA TYR 91 100.164 -2.706 1.831 680 HB2 TYR 91 HB2 TYR 91 98.434 -1.004 1.986 681 HB3 TYR 91 HB1 TYR 91 99.519 0.208 1.303 682 HD1 TYR 91 HD1 TYR 91 97.959 -3.111 0.549 683 HD2 TYR 91 HD2 TYR 91 99.638 0.517 -1.023 684 HE1 TYR 91 HE1 TYR 91 97.289 -3.792 -1.740 685 HE2 TYR 91 HE2 TYR 91 98.968 -0.165 -3.312 686 HH TYR 91 HH TYR 91 98.030 -3.296 -4.094 687 H ASN 92 HN ASN 92 102.036 0.290 1.280 688 HA ASN 92 HA ASN 92 103.122 -0.857 -1.218 689 HB2 ASN 92 HB2 ASN 92 103.462 1.811 0.167 690 HB3 ASN 92 HB1 ASN 92 104.396 1.360 -1.259 691 HD21 ASN 92 HD21 ASN 92 102.527 3.546 -1.313 692 HD22 ASN 92 HD22 ASN 92 101.244 3.122 -2.340 693 H ASN 93 HN ASN 93 103.783 -1.081 2.035 694 HA ASN 93 HA ASN 93 105.657 -1.797 3.245 695 HB2 ASN 93 HB2 ASN 93 106.327 -2.837 0.481 696 HB3 ASN 93 HB1 ASN 93 107.244 -3.252 1.928 697 HD21 ASN 93 HD21 ASN 93 105.816 -5.247 0.421 698 HD22 ASN 93 HD22 ASN 93 104.545 -5.827 1.384 699 H THR 94 HN THR 94 105.830 0.896 2.625 700 HA THR 94 HA THR 94 108.759 1.193 2.125 701 HB THR 94 HB THR 94 107.700 1.948 0.090 702 HG1 THR 94 HG1 THR 94 108.718 3.792 1.889 703 HG21 THR 94 HG21 THR 94 105.996 3.813 1.748 704 HG22 THR 94 HG22 THR 94 105.432 2.229 1.221 705 HG23 THR 94 HG23 THR 94 105.851 3.457 0.028 706 H PHE 95 HN PHE 95 109.779 2.579 3.545 707 HA PHE 95 HA PHE 95 108.028 4.108 5.449 708 HB2 PHE 95 HB2 PHE 95 110.564 2.601 6.156 709 HB3 PHE 95 HB1 PHE 95 109.521 3.480 7.273 710 HD1 PHE 95 HD1 PHE 95 109.773 0.515 5.072 711 HD2 PHE 95 HD2 PHE 95 107.415 2.561 8.018 712 HE1 PHE 95 HE1 PHE 95 108.360 -1.504 5.340 713 HE2 PHE 95 HE2 PHE 95 105.999 0.542 8.288 714 HZ PHE 95 HZ PHE 95 106.472 -1.491 6.949 715 H TYR 96 HN TYR 96 108.751 6.176 5.954 716 HA TYR 96 HA TYR 96 111.462 6.983 4.993 717 HB2 TYR 96 HB2 TYR 96 108.936 8.603 4.534 718 HB3 TYR 96 HB1 TYR 96 110.563 9.020 4.008 719 HD1 TYR 96 HD2 TYR 96 111.693 7.680 2.230 720 HD2 TYR 96 HD1 TYR 96 107.591 7.028 3.324 721 HE1 TYR 96 HE2 TYR 96 111.325 6.436 0.115 722 HE2 TYR 96 HE1 TYR 96 107.222 5.788 1.210 723 HH TYR 96 HH TYR 96 109.899 5.194 -1.061 724 H SER 97 HN SER 97 112.374 8.716 6.218 725 HA SER 97 HA SER 97 110.766 9.956 8.353 726 HB2 SER 97 HB2 SER 97 113.193 8.242 8.982 727 HB3 SER 97 HB1 SER 97 112.346 9.266 10.138 728 HG SER 97 HG SER 97 111.347 7.018 8.722 729 H ARG 98 HN ARG 98 111.885 11.813 9.293 730 HA ARG 98 HA ARG 98 114.032 12.838 7.492 731 HB2 ARG 98 HB2 ARG 98 111.949 14.149 9.217 732 HB3 ARG 98 HB1 ARG 98 113.409 15.033 8.797 733 HG2 ARG 98 HG2 ARG 98 111.944 13.624 6.594 734 HG3 ARG 98 HG1 ARG 98 111.239 15.107 7.236 735 HD2 ARG 98 HD2 ARG 98 113.506 16.207 6.907 736 HD3 ARG 98 HD1 ARG 98 113.986 14.764 6.019 737 HE ARG 98 HE ARG 98 111.586 15.577 4.840 738 HH11 ARG 98 HH21 ARG 98 114.602 17.097 5.580 739 HH12 ARG 98 HH22 ARG 98 114.621 18.046 4.132 740 HH21 ARG 98 HH11 ARG 98 111.606 16.808 2.957 741 HH22 ARG 98 HH12 ARG 98 112.930 17.881 2.645 742 H LEU 99 HN LEU 99 116.043 13.300 8.294 743 HA LEU 99 HA LEU 99 116.628 12.449 11.051 744 HB2 LEU 99 HB2 LEU 99 118.394 13.307 8.753 745 HB3 LEU 99 HB1 LEU 99 119.013 12.857 10.336 746 HG LEU 99 HG LEU 99 117.378 11.081 8.507 747 HD11 LEU 99 HD11 LEU 99 119.676 9.774 8.778 748 HD12 LEU 99 HD12 LEU 99 120.303 11.392 9.086 749 HD13 LEU 99 HD13 LEU 99 119.496 11.036 7.559 750 HD21 LEU 99 HD21 LEU 99 116.834 10.251 10.602 751 HD22 LEU 99 HD22 LEU 99 118.310 10.856 11.346 752 HD23 LEU 99 HD23 LEU 99 118.356 9.403 10.352 753 HA PRO 100 HA PRO 100 116.479 16.570 12.809 754 HB2 PRO 100 HB2 PRO 100 118.989 15.673 14.175 755 HB3 PRO 100 HB1 PRO 100 117.540 16.429 14.865 756 HG2 PRO 100 HG2 PRO 100 118.028 13.814 15.111 757 HG3 PRO 100 HG1 PRO 100 116.387 14.456 14.953 758 HD2 PRO 100 HD2 PRO 100 117.993 12.931 12.978 759 HD3 PRO 100 HD1 PRO 100 116.229 13.111 13.118 760 H SER 101 HN SER 101 118.216 18.426 13.152 761 HA SER 101 HA SER 101 119.686 18.638 10.615 762 HB2 SER 101 HB2 SER 101 119.037 20.535 12.856 763 HB3 SER 101 HB1 SER 101 120.265 20.953 11.665 764 HG SER 101 HG SER 101 117.816 19.951 10.762 765 H LEU 102 HN LEU 102 120.365 17.689 13.827 766 HA LEU 102 HA LEU 102 123.299 18.051 13.328 767 HB2 LEU 102 HB2 LEU 102 122.408 19.432 15.198 768 HB3 LEU 102 HB1 LEU 102 121.872 17.954 15.997 769 HG LEU 102 HG LEU 102 124.204 17.139 16.049 770 HD11 LEU 102 HD11 LEU 102 125.363 18.068 14.267 771 HD12 LEU 102 HD12 LEU 102 125.906 19.125 15.568 772 HD13 LEU 102 HD13 LEU 102 124.625 19.657 14.479 773 HD21 LEU 102 HD21 LEU 102 125.048 18.763 17.712 774 HD22 LEU 102 HD22 LEU 102 123.326 18.458 17.946 775 HD23 LEU 102 HD23 LEU 102 123.860 19.945 17.159 776 H ILE 103 HN ILE 103 124.500 16.207 13.296 777 HA ILE 103 HA ILE 103 123.598 13.826 14.787 778 HB ILE 103 HB ILE 103 124.132 13.692 11.803 779 HG12 ILE 103 HG12 ILE 103 121.528 13.473 13.352 780 HG13 ILE 103 HG11 ILE 103 121.969 14.773 12.245 781 HG21 ILE 103 HG21 ILE 103 124.747 11.693 13.220 782 HG22 ILE 103 HG22 ILE 103 123.499 11.366 12.016 783 HG23 ILE 103 HG23 ILE 103 123.054 11.592 13.709 784 HD11 ILE 103 HD11 ILE 103 120.787 12.237 11.623 785 HD12 ILE 103 HD12 ILE 103 122.355 12.340 10.825 786 HD13 ILE 103 HD13 ILE 103 121.141 13.584 10.542 787 H SER 104 HN SER 104 125.492 13.725 15.985 788 HA SER 104 HA SER 104 128.060 13.618 14.434 789 HB2 SER 104 HB2 SER 104 129.181 14.613 16.303 790 HB3 SER 104 HB1 SER 104 127.753 15.597 15.996 791 HG SER 104 HG SER 104 126.811 14.809 17.766 792 H ASP 105 HN ASP 105 125.893 11.687 15.936 793 HA ASP 105 HA ASP 105 127.874 10.035 17.389 794 HB2 ASP 105 HB2 ASP 105 125.579 10.484 18.332 795 HB3 ASP 105 HB1 ASP 105 124.914 9.528 17.007 796 H ASN 106 HN ASN 106 128.041 7.721 16.895 797 HA ASN 106 HA ASN 106 127.907 7.230 13.968 798 HB2 ASN 106 HB2 ASN 106 129.316 5.802 16.239 799 HB3 ASN 106 HB1 ASN 106 129.284 5.184 14.588 800 HD21 ASN 106 HD21 ASN 106 131.733 5.974 15.891 801 HD22 ASN 106 HD22 ASN 106 132.347 7.329 15.075 802 H TRP 107 HN TRP 107 125.475 7.195 15.599 803 HA TRP 107 HA TRP 107 124.735 4.527 16.304 804 HB2 TRP 107 HB2 TRP 107 122.460 5.351 16.394 805 HB3 TRP 107 HB1 TRP 107 123.528 6.592 17.046 806 HD1 TRP 107 HD1 TRP 107 124.357 8.458 15.069 807 HE1 TRP 107 HE1 TRP 107 122.867 9.617 13.321 808 HE3 TRP 107 HE3 TRP 107 120.391 5.242 15.024 809 HZ2 TRP 107 HZ2 TRP 107 120.323 9.237 12.069 810 HZ3 TRP 107 HZ3 TRP 107 118.447 5.669 13.548 811 HH2 TRP 107 HH2 TRP 107 118.408 7.658 12.076 812 H LYS 108 HN LYS 108 123.325 3.070 15.201 813 HA LYS 108 HA LYS 108 122.941 3.470 12.290 814 HB2 LYS 108 HB2 LYS 108 123.983 1.351 11.727 815 HB3 LYS 108 HB1 LYS 108 125.155 2.319 12.622 816 HG2 LYS 108 HG2 LYS 108 124.461 1.125 14.715 817 HG3 LYS 108 HG1 LYS 108 123.440 0.078 13.730 818 HD2 LYS 108 HD2 LYS 108 126.407 0.415 13.246 819 HD3 LYS 108 HD1 LYS 108 125.733 -0.866 14.252 820 HE2 LYS 108 HE2 LYS 108 124.258 -1.452 12.230 821 HE3 LYS 108 HE1 LYS 108 125.331 -0.413 11.292 822 HZ1 LYS 108 HZ1 LYS 108 127.203 -1.750 11.981 823 HZ2 LYS 108 HZ2 LYS 108 126.033 -2.731 11.236 824 HZ3 LYS 108 HZ3 LYS 108 126.197 -2.734 12.927 825 H PHE 109 HN PHE 109 121.312 1.972 11.423 826 HA PHE 109 HA PHE 109 119.940 0.201 13.337 827 HB2 PHE 109 HB2 PHE 109 117.810 1.314 13.282 828 HB3 PHE 109 HB1 PHE 109 119.001 2.521 13.746 829 HD1 PHE 109 HD2 PHE 109 119.721 4.264 12.161 830 HD2 PHE 109 HD1 PHE 109 116.710 1.383 11.121 831 HE1 PHE 109 HE2 PHE 109 119.045 5.666 10.230 832 HE2 PHE 109 HE1 PHE 109 116.032 2.784 9.193 833 HZ PHE 109 HZ PHE 109 117.201 4.928 8.746 834 H PHE 110 HN PHE 110 118.179 -1.058 12.165 835 HA PHE 110 HA PHE 110 118.296 -0.855 9.230 836 HB2 PHE 110 HB2 PHE 110 118.896 -3.362 9.136 837 HB3 PHE 110 HB1 PHE 110 120.198 -2.232 9.502 838 HD1 PHE 110 HD2 PHE 110 120.852 -1.843 11.921 839 HD2 PHE 110 HD1 PHE 110 118.243 -5.031 10.699 840 HE1 PHE 110 HE2 PHE 110 121.269 -3.008 14.072 841 HE2 PHE 110 HE1 PHE 110 118.661 -6.193 12.852 842 HZ PHE 110 HZ PHE 110 120.174 -5.184 14.534 843 H CYS 111 HN CYS 111 116.827 -2.370 8.156 844 HA CYS 111 HA CYS 111 114.608 -3.365 9.905 845 HB2 CYS 111 HB2 CYS 111 114.399 -1.867 7.271 846 HB3 CYS 111 HB1 CYS 111 113.051 -2.721 8.016 847 H VAL 112 HN VAL 112 113.454 -5.233 8.900 848 HA VAL 112 HA VAL 112 115.093 -6.549 6.756 849 HB VAL 112 HB VAL 112 114.062 -7.723 9.333 850 HG11 VAL 112 HG11 VAL 112 115.115 -9.865 8.269 851 HG12 VAL 112 HG12 VAL 112 114.830 -9.039 6.736 852 HG13 VAL 112 HG13 VAL 112 113.476 -9.406 7.807 853 HG21 VAL 112 HG21 VAL 112 116.419 -8.374 9.589 854 HG22 VAL 112 HG22 VAL 112 116.296 -6.633 9.337 855 HG23 VAL 112 HG23 VAL 112 116.788 -7.682 8.010 856 H CYS 113 HN CYS 113 114.022 -7.714 5.244 857 HA CYS 113 HA CYS 113 111.040 -7.893 5.422 858 HB2 CYS 113 HB2 CYS 113 112.732 -7.375 2.951 859 HB3 CYS 113 HB1 CYS 113 110.988 -7.604 2.954 860 H SER 114 HN SER 114 110.318 -10.054 5.097 861 HA SER 114 HA SER 114 111.835 -11.912 3.473 862 HB2 SER 114 HB2 SER 114 112.700 -13.345 5.221 863 HB3 SER 114 HB1 SER 114 113.298 -11.711 5.492 864 HG SER 114 HG SER 114 111.106 -12.996 6.763 865 H LYS 115 HN LYS 115 111.118 -14.261 4.065 866 HA LYS 115 HA LYS 115 108.420 -14.502 5.198 867 HB2 LYS 115 HB2 LYS 115 109.002 -14.937 2.258 868 HB3 LYS 115 HB1 LYS 115 107.648 -15.719 3.070 869 HG2 LYS 115 HG2 LYS 115 106.989 -13.346 3.850 870 HG3 LYS 115 HG1 LYS 115 108.108 -12.771 2.614 871 HD2 LYS 115 HD2 LYS 115 105.687 -14.548 2.190 872 HD3 LYS 115 HD1 LYS 115 105.891 -12.890 1.630 873 HE2 LYS 115 HE2 LYS 115 106.436 -14.098 -0.291 874 HE3 LYS 115 HE1 LYS 115 108.026 -13.857 0.433 875 HZ1 LYS 115 HZ1 LYS 115 107.224 -16.217 -0.311 876 HZ2 LYS 115 HZ2 LYS 115 106.468 -16.216 1.210 877 HZ3 LYS 115 HZ3 LYS 115 108.152 -16.021 1.095 878 H ASP 116 HN ASP 116 107.822 -16.903 5.237 879 HA ASP 116 HA ASP 116 109.987 -18.464 6.211 880 HB2 ASP 116 HB2 ASP 116 107.267 -19.254 5.138 881 HB3 ASP 116 HB1 ASP 116 108.392 -20.419 5.839 882 H ASN 117 HN ASN 117 111.111 -20.263 5.218 883 HA ASN 117 HA ASN 117 112.431 -21.077 3.433 884 HB2 ASN 117 HB2 ASN 117 110.163 -22.237 3.222 885 HB3 ASN 117 HB1 ASN 117 109.793 -21.069 1.951 886 HD21 ASN 117 HD21 ASN 117 109.856 -22.575 0.179 887 HD22 ASN 117 HD22 ASN 117 111.281 -23.363 -0.298 888 H GLU 118 HN GLU 118 113.066 -18.538 3.397 889 HA GLU 118 HA GLU 118 113.281 -17.846 0.583 890 HB2 GLU 118 HB2 GLU 118 111.445 -16.274 2.393 891 HB3 GLU 118 HB1 GLU 118 112.215 -15.525 1.000 892 HG2 GLU 118 HG2 GLU 118 111.242 -17.606 -0.296 893 HG3 GLU 118 HG1 GLU 118 110.145 -17.700 1.083 894 H LYS 119 HN LYS 119 114.955 -16.338 0.237 895 HA LYS 119 HA LYS 119 116.881 -16.004 2.335 896 HB2 LYS 119 HB2 LYS 119 116.546 -14.588 -0.329 897 HB3 LYS 119 HB1 LYS 119 117.942 -14.372 0.725 898 HG2 LYS 119 HG2 LYS 119 118.504 -16.729 0.562 899 HG3 LYS 119 HG1 LYS 119 117.027 -17.056 -0.346 900 HD2 LYS 119 HD2 LYS 119 118.748 -16.903 -1.988 901 HD3 LYS 119 HD1 LYS 119 117.889 -15.366 -2.067 902 HE2 LYS 119 HE2 LYS 119 119.595 -14.237 -0.833 903 HE3 LYS 119 HE1 LYS 119 120.353 -15.755 -0.360 904 HZ1 LYS 119 HZ1 LYS 119 121.082 -16.138 -2.544 905 HZ2 LYS 119 HZ2 LYS 119 121.437 -14.505 -2.235 906 HZ3 LYS 119 HZ3 LYS 119 120.092 -14.921 -3.188 907 H LYS 120 HN LYS 120 117.145 -14.336 3.809 908 HA LYS 120 HA LYS 120 114.941 -12.407 4.042 909 HB2 LYS 120 HB2 LYS 120 116.155 -11.733 6.150 910 HB3 LYS 120 HB1 LYS 120 115.672 -13.428 6.092 911 HG2 LYS 120 HG2 LYS 120 117.953 -14.036 5.326 912 HG3 LYS 120 HG1 LYS 120 118.429 -12.341 5.445 913 HD2 LYS 120 HD2 LYS 120 117.921 -12.349 7.850 914 HD3 LYS 120 HD1 LYS 120 117.400 -14.031 7.745 915 HE2 LYS 120 HE2 LYS 120 119.657 -14.697 7.027 916 HE3 LYS 120 HE1 LYS 120 120.183 -13.013 7.108 917 HZ1 LYS 120 HZ1 LYS 120 120.054 -12.987 9.390 918 HZ2 LYS 120 HZ2 LYS 120 120.590 -14.575 9.110 919 HZ3 LYS 120 HZ3 LYS 120 118.954 -14.277 9.464 920 H LEU 121 HN LEU 121 115.152 -10.154 3.937 921 HA LEU 121 HA LEU 121 117.634 -9.185 2.567 922 HB2 LEU 121 HB2 LEU 121 114.869 -7.945 2.524 923 HB3 LEU 121 HB1 LEU 121 116.251 -7.469 1.544 924 HG LEU 121 HG LEU 121 114.934 -10.199 1.441 925 HD11 LEU 121 HD11 LEU 121 114.381 -9.209 -0.951 926 HD12 LEU 121 HD12 LEU 121 114.525 -7.667 -0.113 927 HD13 LEU 121 HD13 LEU 121 113.336 -8.850 0.423 928 HD21 LEU 121 HD21 LEU 121 116.295 -10.117 -0.805 929 HD22 LEU 121 HD22 LEU 121 117.129 -10.513 0.696 930 HD23 LEU 121 HD23 LEU 121 117.242 -8.885 0.028 931 H VAL 122 HN VAL 122 118.896 -7.832 3.816 932 HA VAL 122 HA VAL 122 117.592 -6.530 6.167 933 HB VAL 122 HB VAL 122 120.457 -7.341 5.619 934 HG11 VAL 122 HG11 VAL 122 119.284 -5.474 7.672 935 HG12 VAL 122 HG12 VAL 122 120.751 -5.281 6.713 936 HG13 VAL 122 HG13 VAL 122 120.718 -6.428 8.053 937 HG21 VAL 122 HG21 VAL 122 120.100 -9.011 7.149 938 HG22 VAL 122 HG22 VAL 122 118.421 -8.815 6.651 939 HG23 VAL 122 HG23 VAL 122 119.002 -8.035 8.122 940 H PHE 123 HN PHE 123 117.463 -4.364 6.231 941 HA PHE 123 HA PHE 123 118.987 -2.767 4.207 942 HB2 PHE 123 HB2 PHE 123 116.676 -2.419 3.796 943 HB3 PHE 123 HB1 PHE 123 116.287 -2.405 5.515 944 HD1 PHE 123 HD1 PHE 123 118.411 -0.542 3.052 945 HD2 PHE 123 HD2 PHE 123 115.949 -0.353 6.556 946 HE1 PHE 123 HE1 PHE 123 118.645 1.924 3.075 947 HE2 PHE 123 HE2 PHE 123 116.182 2.115 6.589 948 HZ PHE 123 HZ PHE 123 117.528 3.255 4.847 949 H THR 124 HN THR 124 120.632 -1.545 5.128 950 HA THR 124 HA THR 124 120.227 -0.621 7.944 951 HB THR 124 HB THR 124 121.617 -2.754 7.798 952 HG1 THR 124 HG1 THR 124 121.876 -1.621 9.620 953 HG21 THR 124 HG21 THR 124 123.748 -0.875 6.771 954 HG22 THR 124 HG22 THR 124 122.817 -1.922 5.702 955 HG23 THR 124 HG23 THR 124 123.839 -2.626 6.950 956 H VAL 125 HN VAL 125 121.123 1.313 8.486 957 HA VAL 125 HA VAL 125 122.828 2.704 6.476 958 HB VAL 125 HB VAL 125 121.527 4.697 6.556 959 HG11 VAL 125 HG11 VAL 125 120.528 2.538 5.398 960 HG12 VAL 125 HG12 VAL 125 119.573 4.014 5.501 961 HG13 VAL 125 HG13 VAL 125 119.291 2.698 6.641 962 HG21 VAL 125 HG21 VAL 125 119.494 4.813 8.085 963 HG22 VAL 125 HG22 VAL 125 121.055 4.864 8.904 964 HG23 VAL 125 HG23 VAL 125 120.118 3.370 8.887 965 H GLU 126 HN GLU 126 124.146 4.425 7.505 966 HA GLU 126 HA GLU 126 124.253 4.215 10.491 967 HB2 GLU 126 HB2 GLU 126 125.988 2.741 9.507 968 HB3 GLU 126 HB1 GLU 126 126.643 4.118 8.621 969 HG2 GLU 126 HG2 GLU 126 127.137 5.276 10.717 970 HG3 GLU 126 HG1 GLU 126 126.408 3.961 11.640 971 H ALA 127 HN ALA 127 125.233 6.061 11.531 972 HA ALA 127 HA ALA 127 126.042 8.382 9.967 973 HB1 ALA 127 HB1 ALA 127 124.211 9.830 10.451 974 HB2 ALA 127 HB2 ALA 127 123.507 8.680 11.588 975 HB3 ALA 127 HB3 ALA 127 123.478 8.340 9.857 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 118.594 14.667 -4.500 2 H2 GLU 1 HT2 GLU 1 118.051 15.905 -5.529 3 H3 GLU 1 HT3 GLU 1 117.931 14.280 -6.012 4 HA GLU 1 HA GLU 1 116.538 15.328 -3.620 5 HB2 GLU 1 HB2 GLU 1 115.593 15.175 -6.496 6 HB3 GLU 1 HB1 GLU 1 114.509 15.379 -5.118 7 HG2 GLU 1 HG2 GLU 1 115.644 17.455 -4.492 8 HG3 GLU 1 HG1 GLU 1 116.803 17.241 -5.805 9 H LYS 2 HN LYS 2 117.897 12.749 -5.048 10 HA LYS 2 HA LYS 2 115.685 10.852 -4.963 11 HB2 LYS 2 HB2 LYS 2 118.682 10.362 -4.974 12 HB3 LYS 2 HB1 LYS 2 117.439 9.149 -5.281 13 HG2 LYS 2 HG2 LYS 2 117.782 11.670 -6.927 14 HG3 LYS 2 HG1 LYS 2 118.450 10.103 -7.378 15 HD2 LYS 2 HD2 LYS 2 116.008 9.238 -7.074 16 HD3 LYS 2 HD1 LYS 2 115.562 10.939 -7.203 17 HE2 LYS 2 HE2 LYS 2 115.475 10.316 -9.434 18 HE3 LYS 2 HE1 LYS 2 117.143 10.876 -9.319 19 HZ1 LYS 2 HZ1 LYS 2 116.574 8.072 -8.690 20 HZ2 LYS 2 HZ2 LYS 2 117.959 8.767 -9.387 21 HZ3 LYS 2 HZ3 LYS 2 116.558 8.541 -10.320 22 H VAL 3 HN VAL 3 115.173 9.425 -3.295 23 HA VAL 3 HA VAL 3 116.017 10.242 -0.616 24 HB VAL 3 HB VAL 3 114.265 7.921 -1.472 25 HG11 VAL 3 HG11 VAL 3 113.638 7.703 0.754 26 HG12 VAL 3 HG12 VAL 3 114.068 9.368 1.147 27 HG13 VAL 3 HG13 VAL 3 115.329 8.157 0.946 28 HG21 VAL 3 HG21 VAL 3 113.436 10.691 -0.568 29 HG22 VAL 3 HG22 VAL 3 112.384 9.401 -1.151 30 HG23 VAL 3 HG23 VAL 3 113.503 10.195 -2.258 31 H LYS 4 HN LYS 4 117.542 9.218 0.648 32 HA LYS 4 HA LYS 4 119.194 7.153 -0.573 33 HB2 LYS 4 HB2 LYS 4 119.169 8.553 2.091 34 HB3 LYS 4 HB1 LYS 4 120.160 7.112 1.867 35 HG2 LYS 4 HG2 LYS 4 121.489 9.107 1.382 36 HG3 LYS 4 HG1 LYS 4 121.231 8.192 -0.104 37 HD2 LYS 4 HD2 LYS 4 119.403 9.692 -0.740 38 HD3 LYS 4 HD1 LYS 4 119.587 10.584 0.771 39 HE2 LYS 4 HE2 LYS 4 121.629 10.339 -1.457 40 HE3 LYS 4 HE1 LYS 4 120.733 11.789 -1.003 41 HZ1 LYS 4 HZ1 LYS 4 123.067 10.622 0.205 42 HZ2 LYS 4 HZ2 LYS 4 121.856 11.025 1.327 43 HZ3 LYS 4 HZ3 LYS 4 122.484 12.213 0.286 44 H GLY 5 HN GLY 5 118.801 4.997 -0.482 45 HA2 GLY 5 HA2 GLY 5 117.944 3.571 1.796 46 HA3 GLY 5 HA1 GLY 5 116.498 3.952 0.866 47 H CYS 6 HN CYS 6 116.838 1.369 1.005 48 HA CYS 6 HA CYS 6 118.268 0.561 -1.502 49 HB2 CYS 6 HB2 CYS 6 118.942 -0.390 0.835 50 HB3 CYS 6 HB1 CYS 6 117.488 -1.366 0.669 51 H ASP 7 HN ASP 7 117.034 -0.291 -3.089 52 HA ASP 7 HA ASP 7 114.154 -0.828 -2.463 53 HB2 ASP 7 HB2 ASP 7 114.801 0.955 -4.184 54 HB3 ASP 7 HB1 ASP 7 115.343 -0.378 -5.204 55 H PHE 8 HN PHE 8 113.886 -2.996 -2.133 56 HA PHE 8 HA PHE 8 115.550 -4.929 -3.627 57 HB2 PHE 8 HB2 PHE 8 113.425 -5.298 -1.494 58 HB3 PHE 8 HB1 PHE 8 114.336 -6.617 -2.227 59 HD1 PHE 8 HD2 PHE 8 116.888 -6.579 -2.042 60 HD2 PHE 8 HD1 PHE 8 114.329 -4.036 0.288 61 HE1 PHE 8 HE2 PHE 8 118.735 -6.188 -0.434 62 HE2 PHE 8 HE1 PHE 8 116.176 -3.649 1.893 63 HZ PHE 8 HZ PHE 8 118.381 -4.726 1.534 64 H THR 9 HN THR 9 112.827 -3.206 -4.254 65 HA THR 9 HA THR 9 111.419 -5.426 -5.653 66 HB THR 9 HB THR 9 110.528 -2.559 -5.249 67 HG1 THR 9 HG1 THR 9 110.879 -4.260 -3.409 68 HG21 THR 9 HG21 THR 9 109.242 -5.076 -6.282 69 HG22 THR 9 HG22 THR 9 109.244 -3.463 -6.994 70 HG23 THR 9 HG23 THR 9 108.263 -3.795 -5.566 71 H THR 10 HN THR 10 113.486 -2.717 -6.297 72 HA THR 10 HA THR 10 113.342 -3.330 -9.168 73 HB THR 10 HB THR 10 112.796 -0.487 -8.304 74 HG1 THR 10 HG1 THR 10 111.020 -1.555 -7.635 75 HG21 THR 10 HG21 THR 10 111.957 -0.352 -10.657 76 HG22 THR 10 HG22 THR 10 112.499 -2.011 -10.906 77 HG23 THR 10 HG23 THR 10 113.673 -0.743 -10.555 78 H SER 11 HN SER 11 115.407 -3.243 -9.921 79 HA SER 11 HA SER 11 117.560 -2.210 -8.311 80 HB2 SER 11 HB2 SER 11 118.952 -2.649 -10.317 81 HB3 SER 11 HB1 SER 11 117.906 -4.017 -9.948 82 HG SER 11 HG SER 11 116.596 -2.293 -11.513 83 H GLU 12 HN GLU 12 115.465 -0.833 -10.712 84 HA GLU 12 HA GLU 12 117.086 1.690 -10.677 85 HB2 GLU 12 HB2 GLU 12 115.132 0.641 -12.748 86 HB3 GLU 12 HB1 GLU 12 115.892 2.232 -12.806 87 HG2 GLU 12 HG2 GLU 12 117.392 -0.404 -12.756 88 HG3 GLU 12 HG1 GLU 12 117.104 0.567 -14.200 89 H SER 13 HN SER 13 115.903 1.997 -8.542 90 HA SER 13 HA SER 13 113.039 2.359 -8.557 91 HB2 SER 13 HB2 SER 13 115.233 3.161 -6.647 92 HB3 SER 13 HB1 SER 13 113.552 3.607 -6.367 93 HG SER 13 HG SER 13 113.016 1.495 -6.199 94 H THR 14 HN THR 14 111.877 4.340 -8.430 95 HA THR 14 HA THR 14 113.235 6.596 -9.831 96 HB THR 14 HB THR 14 111.246 6.048 -10.990 97 HG1 THR 14 HG1 THR 14 110.676 8.049 -10.885 98 HG21 THR 14 HG21 THR 14 110.134 5.585 -8.230 99 HG22 THR 14 HG22 THR 14 110.181 4.477 -9.602 100 HG23 THR 14 HG23 THR 14 109.056 5.835 -9.605 101 H ILE 15 HN ILE 15 112.635 5.583 -6.772 102 HA ILE 15 HA ILE 15 112.377 8.385 -5.752 103 HB ILE 15 HB ILE 15 111.303 7.236 -3.709 104 HG12 ILE 15 HG12 ILE 15 110.698 5.113 -5.780 105 HG13 ILE 15 HG11 ILE 15 111.979 4.930 -4.582 106 HG21 ILE 15 HG21 ILE 15 109.763 7.168 -6.318 107 HG22 ILE 15 HG22 ILE 15 110.125 8.650 -5.433 108 HG23 ILE 15 HG23 ILE 15 109.104 7.412 -4.701 109 HD11 ILE 15 HD11 ILE 15 109.064 5.467 -3.937 110 HD12 ILE 15 HD12 ILE 15 110.355 5.200 -2.766 111 HD13 ILE 15 HD13 ILE 15 109.847 3.890 -3.832 112 H PHE 16 HN PHE 16 114.024 5.309 -5.572 113 HA PHE 16 HA PHE 16 115.685 6.372 -3.317 114 HB2 PHE 16 HB2 PHE 16 115.246 3.522 -4.248 115 HB3 PHE 16 HB1 PHE 16 116.369 3.997 -2.974 116 HD1 PHE 16 HD2 PHE 16 115.379 5.430 -1.019 117 HD2 PHE 16 HD1 PHE 16 113.011 3.062 -3.713 118 HE1 PHE 16 HE2 PHE 16 113.521 5.419 0.621 119 HE2 PHE 16 HE1 PHE 16 111.154 3.058 -2.073 120 HZ PHE 16 HZ PHE 16 111.407 4.234 0.095 121 H SER 17 HN SER 17 117.877 6.549 -3.585 122 HA SER 17 HA SER 17 118.898 6.711 -6.283 123 HB2 SER 17 HB2 SER 17 121.044 7.273 -5.184 124 HB3 SER 17 HB1 SER 17 119.704 8.208 -4.525 125 HG SER 17 HG SER 17 119.739 7.003 -2.720 126 H LYS 18 HN LYS 18 118.778 4.123 -3.983 127 HA LYS 18 HA LYS 18 120.597 2.551 -5.775 128 HB2 LYS 18 HB2 LYS 18 120.545 2.573 -2.748 129 HB3 LYS 18 HB1 LYS 18 121.392 1.359 -3.709 130 HG2 LYS 18 HG2 LYS 18 122.728 3.142 -4.780 131 HG3 LYS 18 HG1 LYS 18 121.891 4.350 -3.805 132 HD2 LYS 18 HD2 LYS 18 122.732 3.292 -1.748 133 HD3 LYS 18 HD1 LYS 18 123.552 2.061 -2.709 134 HE2 LYS 18 HE2 LYS 18 124.917 3.808 -3.790 135 HE3 LYS 18 HE1 LYS 18 124.098 5.042 -2.832 136 HZ1 LYS 18 HZ1 LYS 18 125.462 4.640 -1.154 137 HZ2 LYS 18 HZ2 LYS 18 126.318 3.533 -2.119 138 HZ3 LYS 18 HZ3 LYS 18 125.038 2.998 -1.137 139 H GLY 19 HN GLY 19 119.978 0.444 -6.178 140 HA2 GLY 19 HA2 GLY 19 117.757 -0.750 -4.650 141 HA3 GLY 19 HA1 GLY 19 117.414 -0.405 -6.345 142 H TYR 20 HN TYR 20 117.440 -3.041 -5.266 143 HA TYR 20 HA TYR 20 119.870 -4.195 -6.593 144 HB2 TYR 20 HB2 TYR 20 118.275 -5.111 -4.202 145 HB3 TYR 20 HB1 TYR 20 119.277 -6.234 -5.120 146 HD1 TYR 20 HD1 TYR 20 119.417 -2.912 -3.394 147 HD2 TYR 20 HD2 TYR 20 121.568 -6.405 -4.668 148 HE1 TYR 20 HE1 TYR 20 121.433 -2.119 -2.180 149 HE2 TYR 20 HE2 TYR 20 123.578 -5.612 -3.452 150 HH TYR 20 HH TYR 20 124.180 -2.706 -2.599 151 H SER 21 HN SER 21 119.501 -6.180 -7.795 152 HA SER 21 HA SER 21 116.777 -6.253 -8.986 153 HB2 SER 21 HB2 SER 21 118.567 -6.103 -10.607 154 HB3 SER 21 HB1 SER 21 119.433 -7.437 -9.850 155 HG SER 21 HG SER 21 116.959 -8.236 -10.404 156 H ILE 22 HN ILE 22 115.746 -8.391 -9.305 157 HA ILE 22 HA ILE 22 115.733 -9.966 -6.935 158 HB ILE 22 HB ILE 22 114.366 -11.566 -8.233 159 HG12 ILE 22 HG12 ILE 22 115.003 -9.775 -10.598 160 HG13 ILE 22 HG11 ILE 22 115.702 -11.374 -10.347 161 HG21 ILE 22 HG21 ILE 22 113.458 -9.368 -7.347 162 HG22 ILE 22 HG22 ILE 22 112.550 -10.064 -8.687 163 HG23 ILE 22 HG23 ILE 22 113.653 -8.719 -8.975 164 HD11 ILE 22 HD11 ILE 22 112.770 -10.712 -10.726 165 HD12 ILE 22 HD12 ILE 22 113.367 -12.307 -10.267 166 HD13 ILE 22 HD13 ILE 22 113.805 -11.617 -11.831 167 H ASN 23 HN ASN 23 117.756 -10.077 -9.756 168 HA ASN 23 HA ASN 23 118.642 -12.830 -9.328 169 HB2 ASN 23 HB2 ASN 23 118.712 -11.889 -11.581 170 HB3 ASN 23 HB1 ASN 23 119.780 -10.596 -11.034 171 HD21 ASN 23 HD21 ASN 23 121.660 -11.191 -12.244 172 HD22 ASN 23 HD22 ASN 23 122.485 -12.655 -12.007 173 H GLU 24 HN GLU 24 120.196 -9.622 -8.957 174 HA GLU 24 HA GLU 24 122.615 -10.458 -7.834 175 HB2 GLU 24 HB2 GLU 24 120.954 -8.009 -7.170 176 HB3 GLU 24 HB1 GLU 24 122.630 -8.232 -6.670 177 HG2 GLU 24 HG2 GLU 24 121.676 -8.290 -9.547 178 HG3 GLU 24 HG1 GLU 24 122.426 -6.895 -8.770 179 H ILE 25 HN ILE 25 119.465 -10.081 -6.223 180 HA ILE 25 HA ILE 25 120.586 -10.612 -3.583 181 HB ILE 25 HB ILE 25 118.221 -10.773 -2.868 182 HG12 ILE 25 HG12 ILE 25 117.613 -10.391 -5.812 183 HG13 ILE 25 HG11 ILE 25 117.389 -11.901 -4.933 184 HG21 ILE 25 HG21 ILE 25 118.363 -8.468 -4.791 185 HG22 ILE 25 HG22 ILE 25 119.507 -8.560 -3.450 186 HG23 ILE 25 HG23 ILE 25 117.774 -8.495 -3.128 187 HD11 ILE 25 HD11 ILE 25 115.246 -10.885 -4.885 188 HD12 ILE 25 HD12 ILE 25 115.921 -9.290 -4.555 189 HD13 ILE 25 HD13 ILE 25 115.935 -10.529 -3.300 190 H SER 26 HN SER 26 119.807 -12.557 -6.266 191 HA SER 26 HA SER 26 119.474 -14.973 -4.540 192 HB2 SER 26 HB2 SER 26 117.789 -14.592 -6.343 193 HB3 SER 26 HB1 SER 26 119.082 -14.682 -7.534 194 HG SER 26 HG SER 26 119.106 -16.758 -5.759 195 H ASN 27 HN ASN 27 121.573 -13.444 -6.886 196 HA ASN 27 HA ASN 27 123.210 -15.465 -7.809 197 HB2 ASN 27 HB2 ASN 27 125.100 -13.874 -7.708 198 HB3 ASN 27 HB1 ASN 27 123.631 -13.077 -8.273 199 HD21 ASN 27 HD21 ASN 27 125.201 -11.204 -7.326 200 HD22 ASN 27 HD22 ASN 27 124.874 -10.773 -5.717 201 H LYS 28 HN LYS 28 122.935 -17.116 -6.077 202 HA LYS 28 HA LYS 28 123.926 -16.886 -3.452 203 HB2 LYS 28 HB2 LYS 28 123.879 -19.274 -5.316 204 HB3 LYS 28 HB1 LYS 28 124.267 -19.385 -3.599 205 HG2 LYS 28 HG2 LYS 28 122.066 -18.407 -3.040 206 HG3 LYS 28 HG1 LYS 28 121.680 -18.307 -4.756 207 HD2 LYS 28 HD2 LYS 28 121.958 -20.773 -4.939 208 HD3 LYS 28 HD1 LYS 28 122.231 -20.843 -3.197 209 HE2 LYS 28 HE2 LYS 28 119.726 -19.786 -4.541 210 HE3 LYS 28 HE1 LYS 28 119.876 -21.352 -3.743 211 HZ1 LYS 28 HZ1 LYS 28 119.733 -18.677 -2.583 212 HZ2 LYS 28 HZ2 LYS 28 120.728 -19.810 -1.799 213 HZ3 LYS 28 HZ3 LYS 28 119.076 -20.138 -2.024 214 H SER 29 HN SER 29 125.876 -15.589 -3.612 215 HA SER 29 HA SER 29 128.269 -17.242 -4.210 216 HB2 SER 29 HB2 SER 29 129.282 -15.119 -5.268 217 HB3 SER 29 HB1 SER 29 128.127 -16.025 -6.240 218 HG SER 29 HG SER 29 127.561 -13.862 -6.282 219 H SER 30 HN SER 30 128.109 -13.768 -3.609 220 HA SER 30 HA SER 30 129.929 -13.956 -1.373 221 HB2 SER 30 HB2 SER 30 129.596 -11.570 -1.141 222 HB3 SER 30 HB1 SER 30 129.655 -11.941 -2.862 223 HG SER 30 HG SER 30 127.178 -12.225 -2.286 224 H ASN 31 HN ASN 31 129.112 -12.638 0.744 225 HA ASN 31 HA ASN 31 127.429 -14.344 2.200 226 HB2 ASN 31 HB2 ASN 31 128.841 -12.655 3.282 227 HB3 ASN 31 HB1 ASN 31 127.851 -11.365 2.594 228 HD21 ASN 31 HD21 ASN 31 127.247 -10.642 4.788 229 HD22 ASN 31 HD22 ASN 31 126.122 -11.521 5.707 230 H ASN 32 HN ASN 32 126.566 -12.037 -0.196 231 HA ASN 32 HA ASN 32 123.896 -11.419 0.674 232 HB2 ASN 32 HB2 ASN 32 125.162 -11.503 -2.079 233 HB3 ASN 32 HB1 ASN 32 123.515 -10.947 -1.792 234 HD21 ASN 32 HD21 ASN 32 125.657 -9.232 -2.786 235 HD22 ASN 32 HD22 ASN 32 125.929 -8.035 -1.614 236 H GLN 33 HN GLN 33 125.128 -14.389 0.154 237 HA GLN 33 HA GLN 33 122.849 -15.486 -1.378 238 HB2 GLN 33 HB2 GLN 33 124.038 -17.596 -1.277 239 HB3 GLN 33 HB1 GLN 33 125.207 -16.337 -1.679 240 HG2 GLN 33 HG2 GLN 33 125.827 -16.194 0.735 241 HG3 GLN 33 HG1 GLN 33 124.744 -17.548 1.061 242 HE21 GLN 33 HE21 GLN 33 127.169 -18.277 1.770 243 HE22 GLN 33 HE22 GLN 33 127.985 -19.181 0.587 244 H GLN 34 HN GLN 34 123.628 -14.782 1.854 245 HA GLN 34 HA GLN 34 121.483 -16.669 2.796 246 HB2 GLN 34 HB2 GLN 34 122.652 -16.749 4.966 247 HB3 GLN 34 HB1 GLN 34 123.686 -17.339 3.663 248 HG2 GLN 34 HG2 GLN 34 124.779 -15.133 3.524 249 HG3 GLN 34 HG1 GLN 34 123.748 -14.538 4.825 250 HE21 GLN 34 HE21 GLN 34 126.782 -15.006 4.714 251 HE22 GLN 34 HE22 GLN 34 127.100 -15.978 6.067 252 H ASP 35 HN ASP 35 122.955 -13.474 3.083 253 HA ASP 35 HA ASP 35 120.359 -12.442 4.071 254 HB2 ASP 35 HB2 ASP 35 122.992 -12.024 5.519 255 HB3 ASP 35 HB1 ASP 35 121.501 -11.152 5.877 256 H ILE 36 HN ILE 36 119.925 -10.816 2.632 257 HA ILE 36 HA ILE 36 122.123 -9.462 1.228 258 HB ILE 36 HB ILE 36 119.196 -8.692 1.158 259 HG12 ILE 36 HG12 ILE 36 119.361 -11.131 0.796 260 HG13 ILE 36 HG11 ILE 36 118.942 -10.304 -0.704 261 HG21 ILE 36 HG21 ILE 36 120.758 -7.174 0.043 262 HG22 ILE 36 HG22 ILE 36 119.814 -8.045 -1.168 263 HG23 ILE 36 HG23 ILE 36 121.475 -8.527 -0.833 264 HD11 ILE 36 HD11 ILE 36 120.660 -11.896 -1.238 265 HD12 ILE 36 HD12 ILE 36 121.657 -11.363 0.113 266 HD13 ILE 36 HD13 ILE 36 121.413 -10.307 -1.276 267 H VAL 37 HN VAL 37 123.092 -7.646 2.004 268 HA VAL 37 HA VAL 37 121.583 -6.025 4.028 269 HB VAL 37 HB VAL 37 124.522 -6.710 3.886 270 HG11 VAL 37 HG11 VAL 37 124.597 -4.453 4.502 271 HG12 VAL 37 HG12 VAL 37 124.471 -5.254 6.068 272 HG13 VAL 37 HG13 VAL 37 123.043 -4.526 5.333 273 HG21 VAL 37 HG21 VAL 37 122.725 -8.233 4.996 274 HG22 VAL 37 HG22 VAL 37 122.645 -6.977 6.233 275 HG23 VAL 37 HG23 VAL 37 124.162 -7.826 5.934 276 H CYS 38 HN CYS 38 121.236 -3.959 3.430 277 HA CYS 38 HA CYS 38 122.836 -2.869 1.151 278 HB2 CYS 38 HB2 CYS 38 120.192 -1.994 2.365 279 HB3 CYS 38 HB1 CYS 38 121.033 -1.125 1.081 280 H THR 39 HN THR 39 124.679 -2.018 2.154 281 HA THR 39 HA THR 39 124.323 -0.393 4.597 282 HB THR 39 HB THR 39 126.832 -1.191 3.094 283 HG1 THR 39 HG1 THR 39 125.695 -2.151 5.508 284 HG21 THR 39 HG21 THR 39 126.348 0.283 5.684 285 HG22 THR 39 HG22 THR 39 127.332 0.787 4.311 286 HG23 THR 39 HG23 THR 39 127.872 -0.534 5.345 287 H VAL 40 HN VAL 40 123.959 1.731 4.407 288 HA VAL 40 HA VAL 40 125.363 3.231 2.247 289 HB VAL 40 HB VAL 40 123.260 4.483 1.735 290 HG11 VAL 40 HG11 VAL 40 122.219 2.692 0.402 291 HG12 VAL 40 HG12 VAL 40 123.072 1.478 1.355 292 HG13 VAL 40 HG13 VAL 40 123.978 2.583 0.322 293 HG21 VAL 40 HG21 VAL 40 122.139 3.955 3.912 294 HG22 VAL 40 HG22 VAL 40 121.939 2.291 3.365 295 HG23 VAL 40 HG23 VAL 40 121.122 3.602 2.515 296 H LYS 41 HN LYS 41 125.605 5.509 2.772 297 HA LYS 41 HA LYS 41 125.453 5.993 5.701 298 HB2 LYS 41 HB2 LYS 41 126.760 7.674 3.541 299 HB3 LYS 41 HB1 LYS 41 126.962 7.857 5.283 300 HG2 LYS 41 HG2 LYS 41 128.798 6.535 4.959 301 HG3 LYS 41 HG1 LYS 41 127.620 5.224 5.008 302 HD2 LYS 41 HD2 LYS 41 128.736 4.772 3.009 303 HD3 LYS 41 HD1 LYS 41 127.369 5.731 2.440 304 HE2 LYS 41 HE2 LYS 41 128.751 7.755 2.437 305 HE3 LYS 41 HE1 LYS 41 130.118 6.841 3.072 306 HZ1 LYS 41 HZ1 LYS 41 130.156 5.511 1.097 307 HZ2 LYS 41 HZ2 LYS 41 130.197 7.148 0.646 308 HZ3 LYS 41 HZ3 LYS 41 128.757 6.260 0.500 309 H ALA 42 HN ALA 42 124.026 7.438 6.563 310 HA ALA 42 HA ALA 42 122.276 8.924 4.634 311 HB1 ALA 42 HB1 ALA 42 121.793 7.848 7.420 312 HB2 ALA 42 HB2 ALA 42 120.946 7.430 5.930 313 HB3 ALA 42 HB3 ALA 42 120.720 9.017 6.657 314 H HIS 43 HN HIS 43 122.533 11.089 4.590 315 HA HIS 43 HA HIS 43 124.159 12.410 6.659 316 HB2 HIS 43 HB2 HIS 43 124.222 12.841 4.084 317 HB3 HIS 43 HB1 HIS 43 122.793 13.830 4.387 318 HD1 HIS 43 HD1 HIS 43 126.100 13.433 6.268 319 HD2 HIS 43 HD2 HIS 43 123.655 16.427 4.705 320 HE1 HIS 43 HE1 HIS 43 127.202 15.639 6.854 321 HE2 HIS 43 HE2 HIS 43 125.720 17.468 5.908 322 H ALA 44 HN ALA 44 123.378 14.088 8.004 323 HA ALA 44 HA ALA 44 120.849 13.807 9.160 324 HB1 ALA 44 HB1 ALA 44 123.012 15.744 9.268 325 HB2 ALA 44 HB2 ALA 44 121.886 15.277 10.540 326 HB3 ALA 44 HB3 ALA 44 121.456 16.557 9.410 327 H ASN 45 HN ASN 45 121.760 15.744 6.347 328 HA ASN 45 HA ASN 45 119.038 16.877 6.160 329 HB2 ASN 45 HB2 ASN 45 121.529 17.188 4.463 330 HB3 ASN 45 HB1 ASN 45 119.990 17.949 4.067 331 HD21 ASN 45 HD21 ASN 45 122.359 19.481 4.708 332 HD22 ASN 45 HD22 ASN 45 122.066 20.305 6.162 333 H ASP 46 HN ASP 46 120.807 14.169 5.005 334 HA ASP 46 HA ASP 46 119.307 13.782 2.543 335 HB2 ASP 46 HB2 ASP 46 121.167 12.080 4.186 336 HB3 ASP 46 HB1 ASP 46 120.293 11.394 2.819 337 H LEU 47 HN LEU 47 117.414 12.635 2.254 338 HA LEU 47 HA LEU 47 115.858 11.950 4.629 339 HB2 LEU 47 HB2 LEU 47 115.253 11.394 1.705 340 HB3 LEU 47 HB1 LEU 47 114.102 11.331 3.039 341 HG LEU 47 HG LEU 47 115.613 13.805 2.145 342 HD11 LEU 47 HD11 LEU 47 113.138 14.489 1.653 343 HD12 LEU 47 HD12 LEU 47 112.840 12.751 1.636 344 HD13 LEU 47 HD13 LEU 47 113.980 13.460 0.494 345 HD21 LEU 47 HD21 LEU 47 115.199 14.114 4.439 346 HD22 LEU 47 HD22 LEU 47 113.684 13.210 4.382 347 HD23 LEU 47 HD23 LEU 47 113.772 14.830 3.692 348 H ILE 48 HN ILE 48 115.301 9.822 5.305 349 HA ILE 48 HA ILE 48 116.892 7.640 3.988 350 HB ILE 48 HB ILE 48 116.931 6.590 6.287 351 HG12 ILE 48 HG12 ILE 48 116.101 9.369 7.178 352 HG13 ILE 48 HG11 ILE 48 115.008 7.985 7.148 353 HG21 ILE 48 HG21 ILE 48 118.221 9.319 6.305 354 HG22 ILE 48 HG22 ILE 48 118.774 8.048 5.215 355 HG23 ILE 48 HG23 ILE 48 118.842 7.804 6.961 356 HD11 ILE 48 HD11 ILE 48 116.270 8.544 9.369 357 HD12 ILE 48 HD12 ILE 48 117.650 7.789 8.576 358 HD13 ILE 48 HD13 ILE 48 116.174 6.863 8.845 359 H GLY 49 HN GLY 49 115.856 5.698 3.634 360 HA2 GLY 49 HA2 GLY 49 113.417 4.851 4.859 361 HA3 GLY 49 HA1 GLY 49 113.011 5.686 3.357 362 H PHE 50 HN PHE 50 112.244 3.277 3.010 363 HA PHE 50 HA PHE 50 114.052 2.104 1.095 364 HB2 PHE 50 HB2 PHE 50 114.564 0.013 2.217 365 HB3 PHE 50 HB1 PHE 50 115.124 1.345 3.227 366 HD1 PHE 50 HD2 PHE 50 113.977 1.929 5.306 367 HD2 PHE 50 HD1 PHE 50 112.612 -1.315 2.844 368 HE1 PHE 50 HE2 PHE 50 112.556 1.113 7.168 369 HE2 PHE 50 HE1 PHE 50 111.191 -2.131 4.706 370 HZ PHE 50 HZ PHE 50 111.166 -0.921 6.869 371 H LYS 51 HN LYS 51 113.126 -0.070 0.293 372 HA LYS 51 HA LYS 51 110.227 -0.368 0.888 373 HB2 LYS 51 HB2 LYS 51 110.321 1.262 -0.950 374 HB3 LYS 51 HB1 LYS 51 111.311 0.151 -1.895 375 HG2 LYS 51 HG2 LYS 51 109.490 -1.500 -1.890 376 HG3 LYS 51 HG1 LYS 51 108.499 -0.416 -0.912 377 HD2 LYS 51 HD2 LYS 51 108.578 1.277 -2.711 378 HD3 LYS 51 HD1 LYS 51 109.551 0.183 -3.694 379 HE2 LYS 51 HE2 LYS 51 107.729 -1.464 -3.697 380 HE3 LYS 51 HE1 LYS 51 106.754 -0.406 -2.677 381 HZ1 LYS 51 HZ1 LYS 51 107.791 0.348 -5.355 382 HZ2 LYS 51 HZ2 LYS 51 106.705 1.232 -4.393 383 HZ3 LYS 51 HZ3 LYS 51 106.228 -0.250 -5.075 384 H CYS 52 HN CYS 52 109.469 -2.462 0.477 385 HA CYS 52 HA CYS 52 111.468 -4.419 -0.579 386 HB2 CYS 52 HB2 CYS 52 109.636 -4.585 1.820 387 HB3 CYS 52 HB1 CYS 52 110.271 -6.036 1.057 388 HA PRO 53 HA PRO 53 108.450 -5.693 -3.528 389 HB2 PRO 53 HB2 PRO 53 108.492 -8.487 -3.069 390 HB3 PRO 53 HB1 PRO 53 109.510 -7.590 -4.208 391 HG2 PRO 53 HG2 PRO 53 110.131 -8.554 -1.476 392 HG3 PRO 53 HG1 PRO 53 111.190 -8.384 -2.885 393 HD2 PRO 53 HD2 PRO 53 111.302 -6.655 -0.828 394 HD3 PRO 53 HD1 PRO 53 111.551 -6.112 -2.500 395 H SER 54 HN SER 54 106.244 -6.108 -3.621 396 HA SER 54 HA SER 54 104.759 -6.032 -1.157 397 HB2 SER 54 HB2 SER 54 103.937 -5.052 -3.280 398 HB3 SER 54 HB1 SER 54 103.777 -6.673 -3.949 399 HG SER 54 HG SER 54 102.576 -6.026 -1.490 400 H ASN 55 HN ASN 55 106.112 -8.658 -2.896 401 HA ASN 55 HA ASN 55 104.100 -10.593 -1.928 402 HB2 ASN 55 HB2 ASN 55 106.692 -10.985 -3.458 403 HB3 ASN 55 HB1 ASN 55 105.532 -12.261 -3.088 404 HD21 ASN 55 HD21 ASN 55 106.430 -10.414 -5.618 405 HD22 ASN 55 HD22 ASN 55 104.939 -10.201 -6.399 406 H TYR 56 HN TYR 56 106.584 -9.015 -0.490 407 HA TYR 56 HA TYR 56 107.391 -11.381 1.149 408 HB2 TYR 56 HB2 TYR 56 108.802 -8.840 0.430 409 HB3 TYR 56 HB1 TYR 56 109.257 -9.725 1.887 410 HD1 TYR 56 HD1 TYR 56 108.542 -10.342 -1.750 411 HD2 TYR 56 HD2 TYR 56 110.841 -11.424 1.712 412 HE1 TYR 56 HE1 TYR 56 109.864 -11.927 -3.125 413 HE2 TYR 56 HE2 TYR 56 112.162 -13.012 0.340 414 HH TYR 56 HH TYR 56 111.220 -14.064 -2.666 415 H SER 57 HN SER 57 107.798 -10.863 3.512 416 HA SER 57 HA SER 57 105.609 -9.068 4.479 417 HB2 SER 57 HB2 SER 57 105.548 -11.434 5.230 418 HB3 SER 57 HB1 SER 57 107.150 -11.242 5.936 419 HG SER 57 HG SER 57 104.708 -10.455 6.867 420 H VAL 58 HN VAL 58 106.144 -7.231 5.625 421 HA VAL 58 HA VAL 58 109.019 -6.643 5.926 422 HB VAL 58 HB VAL 58 108.401 -4.379 6.182 423 HG11 VAL 58 HG11 VAL 58 106.194 -5.535 4.460 424 HG12 VAL 58 HG12 VAL 58 107.872 -5.400 3.933 425 HG13 VAL 58 HG13 VAL 58 106.947 -3.947 4.308 426 HG21 VAL 58 HG21 VAL 58 106.810 -4.375 7.919 427 HG22 VAL 58 HG22 VAL 58 105.754 -5.513 7.076 428 HG23 VAL 58 HG23 VAL 58 105.873 -3.846 6.521 429 H GLU 59 HN GLU 59 110.049 -7.059 7.772 430 HA GLU 59 HA GLU 59 108.539 -6.903 10.338 431 HB2 GLU 59 HB2 GLU 59 110.471 -8.995 9.361 432 HB3 GLU 59 HB1 GLU 59 110.301 -8.689 11.088 433 HG2 GLU 59 HG2 GLU 59 108.751 -10.418 10.662 434 HG3 GLU 59 HG1 GLU 59 107.756 -8.967 10.687 435 HA PRO 60 HA PRO 60 111.966 -4.061 10.975 436 HB2 PRO 60 HB2 PRO 60 111.323 -3.201 13.464 437 HB3 PRO 60 HB1 PRO 60 110.402 -2.706 12.029 438 HG2 PRO 60 HG2 PRO 60 109.756 -4.771 14.074 439 HG3 PRO 60 HG1 PRO 60 108.692 -3.595 13.283 440 HD2 PRO 60 HD2 PRO 60 108.874 -6.244 12.528 441 HD3 PRO 60 HD1 PRO 60 108.373 -4.931 11.437 442 H HIS 61 HN HIS 61 113.950 -5.002 11.345 443 HA HIS 61 HA HIS 61 114.287 -6.835 13.647 444 HB2 HIS 61 HB2 HIS 61 115.261 -7.230 11.279 445 HB3 HIS 61 HB1 HIS 61 116.457 -6.010 11.717 446 HD1 HIS 61 HD1 HIS 61 117.104 -6.652 14.574 447 HD2 HIS 61 HD2 HIS 61 116.538 -9.645 11.725 448 HE1 HIS 61 HE1 HIS 61 118.279 -8.715 15.459 449 HE2 HIS 61 HE2 HIS 61 117.940 -10.543 13.733 450 H ASP 62 HN ASP 62 114.979 -3.610 12.614 451 HA ASP 62 HA ASP 62 115.675 -2.735 15.259 452 HB2 ASP 62 HB2 ASP 62 117.807 -3.872 14.653 453 HB3 ASP 62 HB1 ASP 62 117.955 -2.803 13.257 454 H CYS 63 HN CYS 63 113.872 -2.044 13.128 455 HA CYS 63 HA CYS 63 114.676 0.163 11.551 456 HB2 CYS 63 HB2 CYS 63 111.982 -0.452 12.800 457 HB3 CYS 63 HB1 CYS 63 112.243 0.773 11.563 458 H PHE 64 HN PHE 64 112.802 2.228 12.444 459 HA PHE 64 HA PHE 64 114.408 3.257 14.750 460 HB2 PHE 64 HB2 PHE 64 113.470 5.512 13.915 461 HB3 PHE 64 HB1 PHE 64 114.740 4.738 12.973 462 HD1 PHE 64 HD2 PHE 64 114.110 3.370 10.938 463 HD2 PHE 64 HD1 PHE 64 111.309 5.888 12.999 464 HE1 PHE 64 HE2 PHE 64 112.617 3.334 8.956 465 HE2 PHE 64 HE1 PHE 64 109.819 5.856 11.020 466 HZ PHE 64 HZ PHE 64 110.473 4.580 9.000 467 H VAL 65 HN VAL 65 111.033 3.563 13.491 468 HA VAL 65 HA VAL 65 109.876 4.699 15.772 469 HB VAL 65 HB VAL 65 108.739 2.530 13.979 470 HG11 VAL 65 HG11 VAL 65 107.464 2.399 15.989 471 HG12 VAL 65 HG12 VAL 65 106.523 3.432 14.913 472 HG13 VAL 65 HG13 VAL 65 107.486 4.149 16.204 473 HG21 VAL 65 HG21 VAL 65 108.642 5.546 14.048 474 HG22 VAL 65 HG22 VAL 65 107.377 4.620 13.242 475 HG23 VAL 65 HG23 VAL 65 109.048 4.490 12.697 476 H SER 66 HN SER 66 109.591 1.187 15.225 477 HA SER 66 HA SER 66 110.485 0.712 18.020 478 HB2 SER 66 HB2 SER 66 107.971 0.849 17.996 479 HB3 SER 66 HB1 SER 66 107.952 -0.490 16.852 480 HG SER 66 HG SER 66 109.038 -1.737 18.430 481 H ALA 67 HN ALA 67 111.870 -1.044 18.060 482 HA ALA 67 HA ALA 67 111.547 -3.321 16.311 483 HB1 ALA 67 HB1 ALA 67 113.437 -2.965 14.831 484 HB2 ALA 67 HB2 ALA 67 113.832 -1.448 15.640 485 HB3 ALA 67 HB3 ALA 67 112.354 -1.584 14.697 486 H PHE 68 HN PHE 68 113.845 -4.531 16.264 487 HA PHE 68 HA PHE 68 114.672 -4.690 19.107 488 HB2 PHE 68 HB2 PHE 68 115.613 -6.496 16.873 489 HB3 PHE 68 HB1 PHE 68 115.523 -6.847 18.596 490 HD1 PHE 68 HD1 PHE 68 113.409 -6.074 15.616 491 HD2 PHE 68 HD2 PHE 68 113.590 -7.846 19.524 492 HE1 PHE 68 HE1 PHE 68 111.131 -7.015 15.300 493 HE2 PHE 68 HE2 PHE 68 111.314 -8.778 19.206 494 HZ PHE 68 HZ PHE 68 110.085 -8.358 17.084 495 H ASN 69 HN ASN 69 116.621 -3.850 19.767 496 HA ASN 69 HA ASN 69 118.300 -2.463 17.834 497 HB2 ASN 69 HB2 ASN 69 118.571 -2.974 20.806 498 HB3 ASN 69 HB1 ASN 69 119.757 -2.058 19.875 499 HD21 ASN 69 HD21 ASN 69 118.256 -0.804 21.959 500 HD22 ASN 69 HD22 ASN 69 117.202 0.327 21.259 501 H LEU 70 HN LEU 70 120.865 -2.887 18.437 502 HA LEU 70 HA LEU 70 121.491 -5.375 17.174 503 HB2 LEU 70 HB2 LEU 70 123.196 -3.449 18.776 504 HB3 LEU 70 HB1 LEU 70 123.853 -4.846 17.931 505 HG LEU 70 HG LEU 70 122.156 -2.760 16.538 506 HD11 LEU 70 HD11 LEU 70 125.183 -2.898 16.731 507 HD12 LEU 70 HD12 LEU 70 124.165 -1.677 17.494 508 HD13 LEU 70 HD13 LEU 70 124.265 -1.766 15.735 509 HD21 LEU 70 HD21 LEU 70 123.892 -5.081 15.704 510 HD22 LEU 70 HD22 LEU 70 123.640 -3.732 14.601 511 HD23 LEU 70 HD23 LEU 70 122.264 -4.669 15.173 512 H SER 71 HN SER 71 120.832 -4.541 20.452 513 HA SER 71 HA SER 71 122.166 -6.907 21.576 514 HB2 SER 71 HB2 SER 71 120.420 -4.718 22.697 515 HB3 SER 71 HB1 SER 71 120.785 -6.155 23.648 516 HG SER 71 HG SER 71 122.262 -4.049 23.427 517 H GLY 72 HN GLY 72 119.350 -6.321 19.877 518 HA2 GLY 72 HA2 GLY 72 117.653 -7.865 19.300 519 HA3 GLY 72 HA1 GLY 72 118.295 -8.973 20.516 520 H LYS 73 HN LYS 73 117.728 -5.727 21.536 521 HA LYS 73 HA LYS 73 115.416 -6.686 23.155 522 HB2 LYS 73 HB2 LYS 73 117.107 -4.180 23.462 523 HB3 LYS 73 HB1 LYS 73 115.877 -4.746 24.590 524 HG2 LYS 73 HG2 LYS 73 118.202 -6.506 23.832 525 HG3 LYS 73 HG1 LYS 73 118.354 -5.311 25.121 526 HD2 LYS 73 HD2 LYS 73 116.381 -6.321 26.252 527 HD3 LYS 73 HD1 LYS 73 116.313 -7.554 24.996 528 HE2 LYS 73 HE2 LYS 73 117.513 -8.478 26.878 529 HE3 LYS 73 HE1 LYS 73 118.668 -8.193 25.576 530 HZ1 LYS 73 HZ1 LYS 73 118.185 -6.083 27.563 531 HZ2 LYS 73 HZ2 LYS 73 119.580 -6.402 26.649 532 HZ3 LYS 73 HZ3 LYS 73 119.185 -7.389 27.974 533 H ASN 74 HN ASN 74 113.393 -5.778 22.887 534 HA ASN 74 HA ASN 74 113.022 -4.055 20.538 535 HB2 ASN 74 HB2 ASN 74 111.517 -6.038 21.284 536 HB3 ASN 74 HB1 ASN 74 110.830 -4.884 22.429 537 HD21 ASN 74 HD21 ASN 74 108.782 -4.587 21.383 538 HD22 ASN 74 HD22 ASN 74 108.629 -3.908 19.835 539 H GLU 75 HN GLU 75 113.300 -1.895 20.778 540 HA GLU 75 HA GLU 75 111.900 -0.525 22.992 541 HB2 GLU 75 HB2 GLU 75 114.176 -0.985 23.876 542 HB3 GLU 75 HB1 GLU 75 114.871 -0.159 22.482 543 HG2 GLU 75 HG2 GLU 75 113.769 1.928 23.131 544 HG3 GLU 75 HG1 GLU 75 112.984 1.117 24.487 545 H ASN 76 HN ASN 76 111.205 1.547 22.382 546 HA ASN 76 HA ASN 76 111.146 2.202 19.618 547 HB2 ASN 76 HB2 ASN 76 109.559 3.057 21.381 548 HB3 ASN 76 HB1 ASN 76 110.842 4.126 21.946 549 HD21 ASN 76 HD21 ASN 76 108.273 4.996 20.762 550 HD22 ASN 76 HD22 ASN 76 108.662 5.866 19.357 551 H LEU 77 HN LEU 77 112.339 3.726 18.393 552 HA LEU 77 HA LEU 77 115.031 4.333 19.532 553 HB2 LEU 77 HB2 LEU 77 114.578 3.146 17.232 554 HB3 LEU 77 HB1 LEU 77 114.253 4.781 16.663 555 HG LEU 77 HG LEU 77 116.534 5.368 17.797 556 HD11 LEU 77 HD11 LEU 77 116.701 2.356 17.483 557 HD12 LEU 77 HD12 LEU 77 116.915 3.276 18.968 558 HD13 LEU 77 HD13 LEU 77 118.109 3.394 17.678 559 HD21 LEU 77 HD21 LEU 77 115.995 5.279 15.315 560 HD22 LEU 77 HD22 LEU 77 116.584 3.617 15.325 561 HD23 LEU 77 HD23 LEU 77 117.676 4.942 15.720 562 H GLU 78 HN GLU 78 112.184 5.851 19.498 563 HA GLU 78 HA GLU 78 112.929 8.435 18.373 564 HB2 GLU 78 HB2 GLU 78 110.814 9.231 19.154 565 HB3 GLU 78 HB1 GLU 78 110.552 7.578 18.599 566 HG2 GLU 78 HG2 GLU 78 109.510 7.435 20.650 567 HG3 GLU 78 HG1 GLU 78 111.148 7.022 21.148 568 H ASN 79 HN ASN 79 112.844 7.045 21.638 569 HA ASN 79 HA ASN 79 113.403 9.432 23.077 570 HB2 ASN 79 HB2 ASN 79 114.208 7.966 24.860 571 HB3 ASN 79 HB1 ASN 79 112.775 7.246 24.124 572 HD21 ASN 79 HD21 ASN 79 113.866 5.196 25.124 573 HD22 ASN 79 HD22 ASN 79 114.989 4.382 24.145 574 H LYS 80 HN LYS 80 115.311 7.697 20.847 575 HA LYS 80 HA LYS 80 117.821 8.946 21.882 576 HB2 LYS 80 HB2 LYS 80 118.177 6.617 21.581 577 HB3 LYS 80 HB1 LYS 80 117.282 6.595 20.064 578 HG2 LYS 80 HG2 LYS 80 119.016 7.712 18.888 579 HG3 LYS 80 HG1 LYS 80 119.808 8.221 20.384 580 HD2 LYS 80 HD2 LYS 80 121.076 6.375 19.478 581 HD3 LYS 80 HD1 LYS 80 120.215 5.782 20.898 582 HE2 LYS 80 HE2 LYS 80 118.523 4.755 19.531 583 HE3 LYS 80 HE1 LYS 80 119.159 5.511 18.072 584 HZ1 LYS 80 HZ1 LYS 80 120.130 3.199 19.544 585 HZ2 LYS 80 HZ2 LYS 80 121.322 4.253 18.950 586 HZ3 LYS 80 HZ3 LYS 80 120.208 3.542 17.884 587 H LEU 81 HN LEU 81 115.722 8.653 19.053 588 HA LEU 81 HA LEU 81 117.210 10.936 17.811 589 HB2 LEU 81 HB2 LEU 81 117.477 8.725 16.621 590 HB3 LEU 81 HB1 LEU 81 115.736 8.726 16.351 591 HG LEU 81 HG LEU 81 115.972 10.942 15.199 592 HD11 LEU 81 HD11 LEU 81 118.828 10.436 15.948 593 HD12 LEU 81 HD12 LEU 81 117.932 11.953 15.904 594 HD13 LEU 81 HD13 LEU 81 118.504 11.223 14.407 595 HD21 LEU 81 HD21 LEU 81 117.208 8.394 14.257 596 HD22 LEU 81 HD22 LEU 81 117.476 9.828 13.265 597 HD23 LEU 81 HD23 LEU 81 115.833 9.280 13.602 598 H LYS 82 HN LYS 82 115.938 12.712 17.437 599 HA LYS 82 HA LYS 82 113.130 12.652 18.188 600 HB2 LYS 82 HB2 LYS 82 114.832 14.779 16.850 601 HB3 LYS 82 HB1 LYS 82 113.160 15.031 17.354 602 HG2 LYS 82 HG2 LYS 82 113.744 14.536 19.673 603 HG3 LYS 82 HG1 LYS 82 115.404 14.170 19.203 604 HD2 LYS 82 HD2 LYS 82 115.601 16.383 19.920 605 HD3 LYS 82 HD1 LYS 82 115.352 16.594 18.186 606 HE2 LYS 82 HE2 LYS 82 113.900 18.109 19.510 607 HE3 LYS 82 HE1 LYS 82 112.954 16.969 18.554 608 HZ1 LYS 82 HZ1 LYS 82 112.313 17.277 20.978 609 HZ2 LYS 82 HZ2 LYS 82 113.712 16.389 21.351 610 HZ3 LYS 82 HZ3 LYS 82 112.478 15.684 20.421 611 H LEU 83 HN LEU 83 112.359 11.005 16.674 612 HA LEU 83 HA LEU 83 112.549 11.335 13.821 613 HB2 LEU 83 HB2 LEU 83 110.532 9.796 15.489 614 HB3 LEU 83 HB1 LEU 83 110.749 9.623 13.747 615 HG LEU 83 HG LEU 83 113.086 9.269 15.612 616 HD11 LEU 83 HD11 LEU 83 111.011 7.198 14.833 617 HD12 LEU 83 HD12 LEU 83 111.387 7.748 16.464 618 HD13 LEU 83 HD13 LEU 83 112.574 6.815 15.556 619 HD21 LEU 83 HD21 LEU 83 112.345 8.235 12.855 620 HD22 LEU 83 HD22 LEU 83 113.798 7.762 13.733 621 HD23 LEU 83 HD23 LEU 83 113.582 9.433 13.228 622 H THR 84 HN THR 84 111.380 12.611 12.487 623 HA THR 84 HA THR 84 108.785 13.720 13.480 624 HB THR 84 HB THR 84 109.377 15.912 12.517 625 HG1 THR 84 HG1 THR 84 110.818 15.202 10.938 626 HG21 THR 84 HG21 THR 84 110.017 15.197 14.910 627 HG22 THR 84 HG22 THR 84 110.823 16.618 14.249 628 HG23 THR 84 HG23 THR 84 111.663 15.070 14.293 629 H ASN 85 HN ASN 85 107.272 14.194 11.778 630 HA ASN 85 HA ASN 85 106.205 13.674 9.747 631 HB2 ASN 85 HB2 ASN 85 109.022 14.270 8.810 632 HB3 ASN 85 HB1 ASN 85 107.660 14.036 7.713 633 HD21 ASN 85 HD21 ASN 85 109.050 16.548 7.866 634 HD22 ASN 85 HD22 ASN 85 107.989 17.703 8.516 635 H ILE 86 HN ILE 86 106.741 11.399 11.135 636 HA ILE 86 HA ILE 86 108.315 9.516 9.566 637 HB ILE 86 HB ILE 86 106.358 9.111 11.840 638 HG12 ILE 86 HG12 ILE 86 109.392 9.021 11.814 639 HG13 ILE 86 HG11 ILE 86 108.464 10.441 12.293 640 HG21 ILE 86 HG21 ILE 86 107.861 6.920 11.954 641 HG22 ILE 86 HG22 ILE 86 108.038 7.228 10.226 642 HG23 ILE 86 HG23 ILE 86 106.436 6.990 10.921 643 HD11 ILE 86 HD11 ILE 86 108.950 7.933 13.763 644 HD12 ILE 86 HD12 ILE 86 107.273 8.471 13.809 645 HD13 ILE 86 HD13 ILE 86 108.554 9.535 14.376 646 H ILE 87 HN ILE 87 107.608 8.282 7.900 647 HA ILE 87 HA ILE 87 104.653 8.188 7.365 648 HB ILE 87 HB ILE 87 106.947 8.073 5.379 649 HG12 ILE 87 HG12 ILE 87 106.705 10.329 6.280 650 HG13 ILE 87 HG11 ILE 87 106.058 10.289 4.639 651 HG21 ILE 87 HG21 ILE 87 105.114 6.798 4.526 652 HG22 ILE 87 HG22 ILE 87 105.030 8.373 3.735 653 HG23 ILE 87 HG23 ILE 87 103.941 7.997 5.071 654 HD11 ILE 87 HD11 ILE 87 104.335 11.389 5.729 655 HD12 ILE 87 HD12 ILE 87 104.603 10.527 7.244 656 HD13 ILE 87 HD13 ILE 87 103.790 9.722 5.904 657 H MET 88 HN MET 88 103.865 6.137 7.699 658 HA MET 88 HA MET 88 105.689 3.837 7.060 659 HB2 MET 88 HB2 MET 88 103.653 4.059 9.296 660 HB3 MET 88 HB1 MET 88 104.531 2.589 8.873 661 HG2 MET 88 HG2 MET 88 106.662 3.677 9.359 662 HG3 MET 88 HG1 MET 88 105.841 5.200 9.672 663 HE1 MET 88 HE1 MET 88 105.865 1.518 10.382 664 HE2 MET 88 HE2 MET 88 105.808 1.355 12.134 665 HE3 MET 88 HE3 MET 88 107.253 2.003 11.365 666 H ASP 89 HN ASP 89 104.903 3.040 5.171 667 HA ASP 89 HA ASP 89 101.932 2.682 4.924 668 HB2 ASP 89 HB2 ASP 89 103.064 4.180 3.221 669 HB3 ASP 89 HB1 ASP 89 103.951 2.761 2.669 670 H HIS 90 HN HIS 90 101.639 0.596 5.687 671 HA HIS 90 HA HIS 90 103.557 -1.523 5.224 672 HB2 HIS 90 HB2 HIS 90 100.704 -1.520 6.221 673 HB3 HIS 90 HB1 HIS 90 101.675 -2.988 6.089 674 HD1 HIS 90 HD1 HIS 90 101.274 0.124 8.111 675 HD2 HIS 90 HD2 HIS 90 103.915 -3.097 7.901 676 HE1 HIS 90 HE1 HIS 90 102.685 0.214 10.214 677 HE2 HIS 90 HE2 HIS 90 104.295 -1.742 10.096 678 H TYR 91 HN TYR 91 100.561 -0.515 3.615 679 HA TYR 91 HA TYR 91 100.229 -2.827 1.983 680 HB2 TYR 91 HB2 TYR 91 98.477 -1.137 2.138 681 HB3 TYR 91 HB1 TYR 91 99.532 0.065 1.393 682 HD1 TYR 91 HD1 TYR 91 97.883 -3.233 0.799 683 HD2 TYR 91 HD2 TYR 91 99.718 0.230 -0.960 684 HE1 TYR 91 HE1 TYR 91 97.177 -4.001 -1.452 685 HE2 TYR 91 HE2 TYR 91 99.012 -0.537 -3.209 686 HH TYR 91 HH TYR 91 98.374 -2.570 -4.339 687 H ASN 92 HN ASN 92 102.069 0.182 1.400 688 HA ASN 92 HA ASN 92 103.139 -0.955 -1.109 689 HB2 ASN 92 HB2 ASN 92 103.460 1.706 0.284 690 HB3 ASN 92 HB1 ASN 92 104.425 1.265 -1.126 691 HD21 ASN 92 HD21 ASN 92 102.549 3.440 -1.209 692 HD22 ASN 92 HD22 ASN 92 101.289 3.013 -2.263 693 H ASN 93 HN ASN 93 103.834 -1.151 2.144 694 HA ASN 93 HA ASN 93 105.716 -1.888 3.338 695 HB2 ASN 93 HB2 ASN 93 106.316 -2.952 0.566 696 HB3 ASN 93 HB1 ASN 93 107.278 -3.357 1.986 697 HD21 ASN 93 HD21 ASN 93 105.814 -5.371 0.558 698 HD22 ASN 93 HD22 ASN 93 104.565 -5.934 1.560 699 H THR 94 HN THR 94 105.910 0.804 2.693 700 HA THR 94 HA THR 94 108.839 1.061 2.153 701 HB THR 94 HB THR 94 107.736 1.839 0.144 702 HG1 THR 94 HG1 THR 94 108.518 3.902 0.150 703 HG21 THR 94 HG21 THR 94 106.068 3.576 1.984 704 HG22 THR 94 HG22 THR 94 105.500 2.145 1.130 705 HG23 THR 94 HG23 THR 94 105.995 3.570 0.221 706 H PHE 95 HN PHE 95 109.906 2.389 3.592 707 HA PHE 95 HA PHE 95 108.207 3.932 5.533 708 HB2 PHE 95 HB2 PHE 95 110.779 2.458 6.182 709 HB3 PHE 95 HB1 PHE 95 109.698 3.264 7.317 710 HD1 PHE 95 HD1 PHE 95 109.825 0.509 4.800 711 HD2 PHE 95 HD2 PHE 95 107.876 2.109 8.273 712 HE1 PHE 95 HE1 PHE 95 108.493 -1.571 5.010 713 HE2 PHE 95 HE2 PHE 95 106.541 0.032 8.485 714 HZ PHE 95 HZ PHE 95 106.849 -1.809 6.852 715 H TYR 96 HN TYR 96 108.930 6.001 5.998 716 HA TYR 96 HA TYR 96 111.624 6.806 4.977 717 HB2 TYR 96 HB2 TYR 96 109.070 8.409 4.614 718 HB3 TYR 96 HB1 TYR 96 110.681 8.884 4.087 719 HD1 TYR 96 HD2 TYR 96 111.776 7.766 2.190 720 HD2 TYR 96 HD1 TYR 96 107.804 6.707 3.434 721 HE1 TYR 96 HE2 TYR 96 111.418 6.580 0.041 722 HE2 TYR 96 HE1 TYR 96 107.444 5.526 1.283 723 HH TYR 96 HH TYR 96 108.719 5.908 -1.256 724 H SER 97 HN SER 97 112.614 8.462 6.231 725 HA SER 97 HA SER 97 111.077 9.702 8.420 726 HB2 SER 97 HB2 SER 97 111.846 7.613 9.450 727 HB3 SER 97 HB1 SER 97 113.496 7.939 8.929 728 HG SER 97 HG SER 97 112.597 10.083 10.202 729 H ARG 98 HN ARG 98 112.153 11.594 9.255 730 HA ARG 98 HA ARG 98 114.309 12.575 7.439 731 HB2 ARG 98 HB2 ARG 98 112.485 14.079 9.347 732 HB3 ARG 98 HB1 ARG 98 113.697 14.824 8.305 733 HG2 ARG 98 HG2 ARG 98 112.539 13.892 6.319 734 HG3 ARG 98 HG1 ARG 98 111.305 13.203 7.375 735 HD2 ARG 98 HD2 ARG 98 110.838 15.514 8.223 736 HD3 ARG 98 HD1 ARG 98 111.955 16.149 7.020 737 HE ARG 98 HE ARG 98 109.205 15.355 6.600 738 HH11 ARG 98 HH21 ARG 98 112.327 15.188 5.145 739 HH12 ARG 98 HH22 ARG 98 111.708 14.838 3.566 740 HH21 ARG 98 HH11 ARG 98 108.388 14.892 4.562 741 HH22 ARG 98 HH12 ARG 98 109.480 14.668 3.236 742 H LEU 99 HN LEU 99 116.324 13.003 8.228 743 HA LEU 99 HA LEU 99 116.867 12.311 11.048 744 HB2 LEU 99 HB2 LEU 99 118.694 12.873 8.707 745 HB3 LEU 99 HB1 LEU 99 119.271 12.490 10.327 746 HG LEU 99 HG LEU 99 117.458 10.707 8.676 747 HD11 LEU 99 HD11 LEU 99 119.558 9.270 8.601 748 HD12 LEU 99 HD12 LEU 99 120.443 10.682 9.180 749 HD13 LEU 99 HD13 LEU 99 119.611 10.739 7.626 750 HD21 LEU 99 HD21 LEU 99 118.460 9.075 10.518 751 HD22 LEU 99 HD22 LEU 99 117.054 10.071 10.883 752 HD23 LEU 99 HD23 LEU 99 118.655 10.574 11.427 753 HA PRO 100 HA PRO 100 117.006 16.565 12.459 754 HB2 PRO 100 HB2 PRO 100 119.522 15.667 13.818 755 HB3 PRO 100 HB1 PRO 100 118.133 16.545 14.488 756 HG2 PRO 100 HG2 PRO 100 118.518 13.938 14.940 757 HG3 PRO 100 HG1 PRO 100 116.901 14.641 14.779 758 HD2 PRO 100 HD2 PRO 100 118.364 12.887 12.890 759 HD3 PRO 100 HD1 PRO 100 116.617 13.159 13.074 760 H SER 101 HN SER 101 118.503 18.462 12.268 761 HA SER 101 HA SER 101 120.066 18.294 9.823 762 HB2 SER 101 HB2 SER 101 119.435 20.484 11.785 763 HB3 SER 101 HB1 SER 101 120.656 20.729 10.540 764 HG SER 101 HG SER 101 118.180 19.633 9.822 765 H LEU 102 HN LEU 102 120.752 17.650 13.077 766 HA LEU 102 HA LEU 102 123.678 17.785 12.490 767 HB2 LEU 102 HB2 LEU 102 123.107 19.739 13.857 768 HB3 LEU 102 HB1 LEU 102 122.326 18.697 15.045 769 HG LEU 102 HG LEU 102 124.457 17.583 15.510 770 HD11 LEU 102 HD11 LEU 102 126.515 18.846 14.453 771 HD12 LEU 102 HD12 LEU 102 125.353 19.282 13.200 772 HD13 LEU 102 HD13 LEU 102 125.696 17.584 13.533 773 HD21 LEU 102 HD21 LEU 102 125.742 19.716 16.271 774 HD22 LEU 102 HD22 LEU 102 124.128 19.440 16.929 775 HD23 LEU 102 HD23 LEU 102 124.360 20.596 15.617 776 H ILE 103 HN ILE 103 124.691 15.892 12.961 777 HA ILE 103 HA ILE 103 123.636 14.153 15.111 778 HB ILE 103 HB ILE 103 123.979 13.268 12.231 779 HG12 ILE 103 HG12 ILE 103 121.614 13.027 14.116 780 HG13 ILE 103 HG11 ILE 103 121.787 14.307 12.919 781 HG21 ILE 103 HG21 ILE 103 123.260 11.009 13.272 782 HG22 ILE 103 HG22 ILE 103 123.786 11.705 14.805 783 HG23 ILE 103 HG23 ILE 103 124.939 11.509 13.485 784 HD11 ILE 103 HD11 ILE 103 122.020 11.432 12.079 785 HD12 ILE 103 HD12 ILE 103 121.575 12.837 11.112 786 HD13 ILE 103 HD13 ILE 103 120.434 12.171 12.279 787 H SER 104 HN SER 104 125.484 14.117 16.348 788 HA SER 104 HA SER 104 128.104 13.817 14.962 789 HB2 SER 104 HB2 SER 104 129.097 14.491 17.089 790 HB3 SER 104 HB1 SER 104 127.840 15.643 16.641 791 HG SER 104 HG SER 104 127.145 13.411 18.181 792 H ASP 105 HN ASP 105 125.771 11.871 16.305 793 HA ASP 105 HA ASP 105 127.625 9.987 17.608 794 HB2 ASP 105 HB2 ASP 105 124.643 10.077 17.206 795 HB3 ASP 105 HB1 ASP 105 125.440 8.609 17.782 796 H ASN 106 HN ASN 106 127.822 7.769 16.879 797 HA ASN 106 HA ASN 106 127.613 7.532 13.907 798 HB2 ASN 106 HB2 ASN 106 129.351 6.099 15.934 799 HB3 ASN 106 HB1 ASN 106 129.264 5.645 14.232 800 HD21 ASN 106 HD21 ASN 106 131.696 6.600 15.462 801 HD22 ASN 106 HD22 ASN 106 132.089 8.091 14.752 802 H TRP 107 HN TRP 107 125.355 7.089 15.728 803 HA TRP 107 HA TRP 107 124.981 4.302 16.240 804 HB2 TRP 107 HB2 TRP 107 122.592 4.869 16.498 805 HB3 TRP 107 HB1 TRP 107 123.619 6.024 17.343 806 HD1 TRP 107 HD1 TRP 107 124.151 8.348 15.915 807 HE1 TRP 107 HE1 TRP 107 122.577 9.711 14.425 808 HE3 TRP 107 HE3 TRP 107 120.614 4.805 14.955 809 HZ2 TRP 107 HZ2 TRP 107 120.116 9.344 12.993 810 HZ3 TRP 107 HZ3 TRP 107 118.665 5.343 13.525 811 HH2 TRP 107 HH2 TRP 107 118.415 7.598 12.544 812 H LYS 108 HN LYS 108 123.405 2.894 15.159 813 HA LYS 108 HA LYS 108 122.931 3.464 12.287 814 HB2 LYS 108 HB2 LYS 108 123.854 1.290 11.623 815 HB3 LYS 108 HB1 LYS 108 125.094 2.248 12.430 816 HG2 LYS 108 HG2 LYS 108 124.676 1.048 14.533 817 HG3 LYS 108 HG1 LYS 108 123.401 0.108 13.762 818 HD2 LYS 108 HD2 LYS 108 125.308 -1.297 13.696 819 HD3 LYS 108 HD1 LYS 108 125.177 -0.630 12.069 820 HE2 LYS 108 HE2 LYS 108 126.929 0.942 12.465 821 HE3 LYS 108 HE1 LYS 108 126.894 0.650 14.203 822 HZ1 LYS 108 HZ1 LYS 108 128.113 -1.204 14.001 823 HZ2 LYS 108 HZ2 LYS 108 128.603 -0.519 12.526 824 HZ3 LYS 108 HZ3 LYS 108 127.366 -1.683 12.556 825 H PHE 109 HN PHE 109 121.314 1.908 11.361 826 HA PHE 109 HA PHE 109 119.886 0.203 13.291 827 HB2 PHE 109 HB2 PHE 109 117.784 1.352 13.211 828 HB3 PHE 109 HB1 PHE 109 118.990 2.560 13.632 829 HD1 PHE 109 HD2 PHE 109 119.799 4.181 11.923 830 HD2 PHE 109 HD1 PHE 109 116.608 1.419 11.115 831 HE1 PHE 109 HE2 PHE 109 119.132 5.525 9.951 832 HE2 PHE 109 HE1 PHE 109 115.942 2.762 9.143 833 HZ PHE 109 HZ PHE 109 117.206 4.817 8.558 834 H PHE 110 HN PHE 110 118.170 -1.089 12.127 835 HA PHE 110 HA PHE 110 118.292 -0.915 9.187 836 HB2 PHE 110 HB2 PHE 110 118.887 -3.424 9.128 837 HB3 PHE 110 HB1 PHE 110 120.190 -2.296 9.493 838 HD1 PHE 110 HD2 PHE 110 120.763 -1.852 11.945 839 HD2 PHE 110 HD1 PHE 110 118.268 -5.108 10.668 840 HE1 PHE 110 HE2 PHE 110 121.150 -2.997 14.109 841 HE2 PHE 110 HE1 PHE 110 118.656 -6.254 12.837 842 HZ PHE 110 HZ PHE 110 120.099 -5.201 14.551 843 H CYS 111 HN CYS 111 116.790 -2.360 8.118 844 HA CYS 111 HA CYS 111 114.570 -3.347 9.869 845 HB2 CYS 111 HB2 CYS 111 114.406 -1.889 7.212 846 HB3 CYS 111 HB1 CYS 111 113.039 -2.719 7.953 847 H VAL 112 HN VAL 112 113.433 -5.238 8.918 848 HA VAL 112 HA VAL 112 115.050 -6.593 6.779 849 HB VAL 112 HB VAL 112 114.066 -7.724 9.395 850 HG11 VAL 112 HG11 VAL 112 113.495 -9.455 7.927 851 HG12 VAL 112 HG12 VAL 112 115.160 -9.865 8.341 852 HG13 VAL 112 HG13 VAL 112 114.802 -9.069 6.807 853 HG21 VAL 112 HG21 VAL 112 116.287 -6.597 9.343 854 HG22 VAL 112 HG22 VAL 112 116.781 -7.683 8.046 855 HG23 VAL 112 HG23 VAL 112 116.431 -8.329 9.648 856 H CYS 113 HN CYS 113 113.967 -7.828 5.326 857 HA CYS 113 HA CYS 113 110.989 -8.012 5.552 858 HB2 CYS 113 HB2 CYS 113 112.597 -7.602 3.006 859 HB3 CYS 113 HB1 CYS 113 110.844 -7.713 3.120 860 H SER 114 HN SER 114 110.270 -10.181 5.264 861 HA SER 114 HA SER 114 111.838 -12.053 3.683 862 HB2 SER 114 HB2 SER 114 112.419 -13.539 5.615 863 HB3 SER 114 HB1 SER 114 113.283 -12.004 5.620 864 HG SER 114 HG SER 114 111.396 -11.299 6.975 865 H LYS 115 HN LYS 115 111.074 -14.391 4.235 866 HA LYS 115 HA LYS 115 108.342 -14.633 5.263 867 HB2 LYS 115 HB2 LYS 115 108.989 -15.057 2.336 868 HB3 LYS 115 HB1 LYS 115 107.567 -15.751 3.111 869 HG2 LYS 115 HG2 LYS 115 107.110 -13.294 3.890 870 HG3 LYS 115 HG1 LYS 115 108.210 -12.869 2.581 871 HD2 LYS 115 HD2 LYS 115 105.733 -14.596 2.280 872 HD3 LYS 115 HD1 LYS 115 105.837 -12.898 1.822 873 HE2 LYS 115 HE2 LYS 115 107.690 -13.471 0.251 874 HE3 LYS 115 HE1 LYS 115 107.469 -15.170 0.659 875 HZ1 LYS 115 HZ1 LYS 115 105.216 -13.528 -0.303 876 HZ2 LYS 115 HZ2 LYS 115 105.377 -15.219 -0.307 877 HZ3 LYS 115 HZ3 LYS 115 106.281 -14.273 -1.391 878 H ASP 116 HN ASP 116 107.721 -17.032 5.213 879 HA ASP 116 HA ASP 116 109.856 -18.634 6.199 880 HB2 ASP 116 HB2 ASP 116 107.156 -19.394 5.052 881 HB3 ASP 116 HB1 ASP 116 108.255 -20.559 5.792 882 H ASN 117 HN ASN 117 111.006 -20.388 5.186 883 HA ASN 117 HA ASN 117 112.349 -21.168 3.399 884 HB2 ASN 117 HB2 ASN 117 110.065 -22.324 3.164 885 HB3 ASN 117 HB1 ASN 117 109.742 -21.169 1.869 886 HD21 ASN 117 HD21 ASN 117 109.889 -22.607 0.071 887 HD22 ASN 117 HD22 ASN 117 111.308 -23.445 -0.333 888 H GLU 118 HN GLU 118 112.963 -18.625 3.394 889 HA GLU 118 HA GLU 118 113.171 -17.899 0.586 890 HB2 GLU 118 HB2 GLU 118 111.346 -16.353 2.430 891 HB3 GLU 118 HB1 GLU 118 112.115 -15.577 1.046 892 HG2 GLU 118 HG2 GLU 118 111.136 -17.617 -0.298 893 HG3 GLU 118 HG1 GLU 118 110.054 -17.765 1.087 894 H LYS 119 HN LYS 119 114.864 -16.417 0.251 895 HA LYS 119 HA LYS 119 116.789 -16.108 2.350 896 HB2 LYS 119 HB2 LYS 119 116.507 -14.513 -0.223 897 HB3 LYS 119 HB1 LYS 119 117.958 -14.618 0.773 898 HG2 LYS 119 HG2 LYS 119 116.619 -17.001 -0.536 899 HG3 LYS 119 HG1 LYS 119 118.013 -16.155 -1.207 900 HD2 LYS 119 HD2 LYS 119 119.131 -16.593 1.087 901 HD3 LYS 119 HD1 LYS 119 117.848 -17.778 1.331 902 HE2 LYS 119 HE2 LYS 119 118.485 -18.937 -0.731 903 HE3 LYS 119 HE1 LYS 119 119.748 -17.742 -1.024 904 HZ1 LYS 119 HZ1 LYS 119 119.614 -19.389 1.437 905 HZ2 LYS 119 HZ2 LYS 119 120.905 -18.424 0.904 906 HZ3 LYS 119 HZ3 LYS 119 120.501 -19.845 0.066 907 H LYS 120 HN LYS 120 117.088 -14.459 3.820 908 HA LYS 120 HA LYS 120 114.902 -12.524 4.109 909 HB2 LYS 120 HB2 LYS 120 116.382 -11.826 6.145 910 HB3 LYS 120 HB1 LYS 120 115.539 -13.374 6.190 911 HG2 LYS 120 HG2 LYS 120 117.574 -14.525 5.437 912 HG3 LYS 120 HG1 LYS 120 118.421 -12.982 5.325 913 HD2 LYS 120 HD2 LYS 120 118.485 -12.707 7.646 914 HD3 LYS 120 HD1 LYS 120 117.117 -13.785 7.911 915 HE2 LYS 120 HE2 LYS 120 119.609 -14.915 6.691 916 HE3 LYS 120 HE1 LYS 120 119.580 -14.610 8.428 917 HZ1 LYS 120 HZ1 LYS 120 117.395 -16.074 7.090 918 HZ2 LYS 120 HZ2 LYS 120 117.829 -16.078 8.733 919 HZ3 LYS 120 HZ3 LYS 120 118.804 -16.874 7.592 920 H LEU 121 HN LEU 121 115.092 -10.281 3.974 921 HA LEU 121 HA LEU 121 117.556 -9.298 2.588 922 HB2 LEU 121 HB2 LEU 121 114.765 -8.112 2.557 923 HB3 LEU 121 HB1 LEU 121 116.142 -7.565 1.602 924 HG LEU 121 HG LEU 121 114.899 -10.326 1.418 925 HD11 LEU 121 HD11 LEU 121 114.656 -7.875 -0.350 926 HD12 LEU 121 HD12 LEU 121 113.355 -8.690 0.518 927 HD13 LEU 121 HD13 LEU 121 114.148 -9.491 -0.838 928 HD21 LEU 121 HD21 LEU 121 117.138 -10.557 0.733 929 HD22 LEU 121 HD22 LEU 121 117.194 -8.931 0.053 930 HD23 LEU 121 HD23 LEU 121 116.307 -10.206 -0.781 931 H VAL 122 HN VAL 122 118.820 -7.933 3.819 932 HA VAL 122 HA VAL 122 117.524 -6.619 6.170 933 HB VAL 122 HB VAL 122 120.381 -7.458 5.636 934 HG11 VAL 122 HG11 VAL 122 119.223 -5.529 7.629 935 HG12 VAL 122 HG12 VAL 122 120.737 -5.424 6.728 936 HG13 VAL 122 HG13 VAL 122 120.598 -6.533 8.093 937 HG21 VAL 122 HG21 VAL 122 119.976 -9.151 7.115 938 HG22 VAL 122 HG22 VAL 122 118.282 -8.866 6.723 939 HG23 VAL 122 HG23 VAL 122 118.989 -8.136 8.165 940 H PHE 123 HN PHE 123 117.424 -4.454 6.235 941 HA PHE 123 HA PHE 123 118.942 -2.882 4.185 942 HB2 PHE 123 HB2 PHE 123 116.618 -2.526 3.818 943 HB3 PHE 123 HB1 PHE 123 116.273 -2.464 5.544 944 HD1 PHE 123 HD1 PHE 123 118.371 -0.701 2.987 945 HD2 PHE 123 HD2 PHE 123 115.984 -0.380 6.536 946 HE1 PHE 123 HE1 PHE 123 118.645 1.760 2.945 947 HE2 PHE 123 HE2 PHE 123 116.256 2.083 6.500 948 HZ PHE 123 HZ PHE 123 117.586 3.157 4.703 949 H THR 124 HN THR 124 120.614 -1.678 5.074 950 HA THR 124 HA THR 124 120.260 -0.721 7.885 951 HB THR 124 HB THR 124 121.614 -2.869 7.763 952 HG1 THR 124 HG1 THR 124 123.365 -0.976 8.708 953 HG21 THR 124 HG21 THR 124 123.745 -1.041 6.655 954 HG22 THR 124 HG22 THR 124 122.793 -2.118 5.632 955 HG23 THR 124 HG23 THR 124 123.834 -2.785 6.885 956 H VAL 125 HN VAL 125 121.177 1.213 8.388 957 HA VAL 125 HA VAL 125 122.899 2.548 6.362 958 HB VAL 125 HB VAL 125 121.616 4.556 6.381 959 HG11 VAL 125 HG11 VAL 125 120.635 2.390 5.232 960 HG12 VAL 125 HG12 VAL 125 119.674 3.867 5.303 961 HG13 VAL 125 HG13 VAL 125 119.373 2.563 6.452 962 HG21 VAL 125 HG21 VAL 125 121.084 4.792 8.701 963 HG22 VAL 125 HG22 VAL 125 120.173 3.281 8.717 964 HG23 VAL 125 HG23 VAL 125 119.537 4.688 7.861 965 H GLU 126 HN GLU 126 124.183 4.322 7.375 966 HA GLU 126 HA GLU 126 124.379 3.991 10.356 967 HB2 GLU 126 HB2 GLU 126 126.595 4.317 8.314 968 HB3 GLU 126 HB1 GLU 126 126.836 4.409 10.059 969 HG2 GLU 126 HG2 GLU 126 125.989 2.124 10.324 970 HG3 GLU 126 HG1 GLU 126 125.668 2.026 8.593 971 H ALA 127 HN ALA 127 124.751 5.860 11.559 972 HA ALA 127 HA ALA 127 125.060 8.424 10.084 973 HB1 ALA 127 HB1 ALA 127 123.050 8.261 12.312 974 HB2 ALA 127 HB2 ALA 127 122.577 7.783 10.681 975 HB3 ALA 127 HB3 ALA 127 123.152 9.422 10.988 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 114.673 16.202 -4.974 2 H2 GLU 1 HT2 GLU 1 115.549 16.877 -3.686 3 H3 GLU 1 HT3 GLU 1 114.578 15.506 -3.431 4 HA GLU 1 HA GLU 1 116.641 15.253 -5.466 5 HB2 GLU 1 HB2 GLU 1 117.239 15.410 -2.495 6 HB3 GLU 1 HB1 GLU 1 118.355 14.780 -3.707 7 HG2 GLU 1 HG2 GLU 1 117.186 17.579 -3.721 8 HG3 GLU 1 HG1 GLU 1 118.810 17.166 -3.169 9 H LYS 2 HN LYS 2 117.740 12.997 -4.839 10 HA LYS 2 HA LYS 2 115.540 11.099 -4.649 11 HB2 LYS 2 HB2 LYS 2 118.544 10.678 -4.754 12 HB3 LYS 2 HB1 LYS 2 117.343 9.390 -4.869 13 HG2 LYS 2 HG2 LYS 2 116.384 10.456 -6.877 14 HG3 LYS 2 HG1 LYS 2 117.576 11.750 -6.763 15 HD2 LYS 2 HD2 LYS 2 118.593 10.321 -8.302 16 HD3 LYS 2 HD1 LYS 2 119.308 9.770 -6.787 17 HE2 LYS 2 HE2 LYS 2 117.644 7.975 -6.627 18 HE3 LYS 2 HE1 LYS 2 116.867 8.541 -8.100 19 HZ1 LYS 2 HZ1 LYS 2 118.571 7.808 -9.404 20 HZ2 LYS 2 HZ2 LYS 2 118.628 6.638 -8.173 21 HZ3 LYS 2 HZ3 LYS 2 119.732 7.930 -8.173 22 H VAL 3 HN VAL 3 115.594 9.284 -3.036 23 HA VAL 3 HA VAL 3 116.369 10.347 -0.354 24 HB VAL 3 HB VAL 3 114.330 8.271 -1.205 25 HG11 VAL 3 HG11 VAL 3 115.241 7.506 0.876 26 HG12 VAL 3 HG12 VAL 3 113.728 8.322 1.264 27 HG13 VAL 3 HG13 VAL 3 115.264 9.140 1.539 28 HG21 VAL 3 HG21 VAL 3 114.236 11.117 -0.247 29 HG22 VAL 3 HG22 VAL 3 112.890 10.037 0.114 30 HG23 VAL 3 HG23 VAL 3 113.341 10.354 -1.562 31 H LYS 4 HN LYS 4 117.857 9.236 0.872 32 HA LYS 4 HA LYS 4 119.369 7.090 -0.352 33 HB2 LYS 4 HB2 LYS 4 119.347 8.021 2.541 34 HB3 LYS 4 HB1 LYS 4 120.568 6.988 1.800 35 HG2 LYS 4 HG2 LYS 4 119.918 9.788 0.841 36 HG3 LYS 4 HG1 LYS 4 121.246 9.403 1.935 37 HD2 LYS 4 HD2 LYS 4 121.957 7.688 0.115 38 HD3 LYS 4 HD1 LYS 4 120.904 8.618 -0.953 39 HE2 LYS 4 HE2 LYS 4 122.940 9.709 -1.257 40 HE3 LYS 4 HE1 LYS 4 122.207 10.682 0.018 41 HZ1 LYS 4 HZ1 LYS 4 124.203 10.271 0.974 42 HZ2 LYS 4 HZ2 LYS 4 124.432 8.798 0.159 43 HZ3 LYS 4 HZ3 LYS 4 123.397 8.876 1.504 44 H GLY 5 HN GLY 5 118.799 4.970 -0.367 45 HA2 GLY 5 HA2 GLY 5 117.832 3.519 1.857 46 HA3 GLY 5 HA1 GLY 5 116.429 4.018 0.922 47 H CYS 6 HN CYS 6 117.031 1.320 1.188 48 HA CYS 6 HA CYS 6 118.227 0.580 -1.449 49 HB2 CYS 6 HB2 CYS 6 118.994 -0.393 0.859 50 HB3 CYS 6 HB1 CYS 6 117.563 -1.399 0.711 51 H ASP 7 HN ASP 7 116.961 -0.468 -2.951 52 HA ASP 7 HA ASP 7 114.109 -0.987 -2.187 53 HB2 ASP 7 HB2 ASP 7 114.406 0.836 -3.845 54 HB3 ASP 7 HB1 ASP 7 115.242 -0.293 -4.912 55 H PHE 8 HN PHE 8 113.927 -3.164 -1.875 56 HA PHE 8 HA PHE 8 115.558 -5.039 -3.462 57 HB2 PHE 8 HB2 PHE 8 113.414 -5.565 -1.378 58 HB3 PHE 8 HB1 PHE 8 114.495 -6.773 -2.069 59 HD1 PHE 8 HD2 PHE 8 117.071 -6.224 -1.886 60 HD2 PHE 8 HD1 PHE 8 114.027 -4.478 0.592 61 HE1 PHE 8 HE2 PHE 8 118.782 -5.659 -0.180 62 HE2 PHE 8 HE1 PHE 8 115.737 -3.915 2.296 63 HZ PHE 8 HZ PHE 8 118.115 -4.505 1.911 64 H THR 9 HN THR 9 112.790 -3.347 -3.997 65 HA THR 9 HA THR 9 111.381 -5.549 -5.414 66 HB THR 9 HB THR 9 110.482 -2.679 -5.074 67 HG1 THR 9 HG1 THR 9 110.959 -4.101 -3.119 68 HG21 THR 9 HG21 THR 9 109.225 -3.839 -6.758 69 HG22 THR 9 HG22 THR 9 108.229 -3.820 -5.303 70 HG23 THR 9 HG23 THR 9 109.102 -5.284 -5.754 71 H THR 10 HN THR 10 113.453 -2.845 -6.075 72 HA THR 10 HA THR 10 113.301 -3.457 -8.945 73 HB THR 10 HB THR 10 112.692 -0.631 -8.060 74 HG1 THR 10 HG1 THR 10 110.649 -1.961 -9.218 75 HG21 THR 10 HG21 THR 10 112.081 -1.945 -10.702 76 HG22 THR 10 HG22 THR 10 113.668 -1.250 -10.378 77 HG23 THR 10 HG23 THR 10 112.234 -0.226 -10.335 78 H SER 11 HN SER 11 115.345 -3.276 -9.756 79 HA SER 11 HA SER 11 117.527 -2.350 -8.162 80 HB2 SER 11 HB2 SER 11 118.847 -2.539 -10.250 81 HB3 SER 11 HB1 SER 11 117.814 -3.946 -10.020 82 HG SER 11 HG SER 11 116.288 -2.886 -11.412 83 H GLU 12 HN GLU 12 115.378 -0.748 -10.400 84 HA GLU 12 HA GLU 12 116.972 1.770 -10.134 85 HB2 GLU 12 HB2 GLU 12 114.884 0.922 -12.164 86 HB3 GLU 12 HB1 GLU 12 115.584 2.540 -12.085 87 HG2 GLU 12 HG2 GLU 12 117.822 1.624 -12.458 88 HG3 GLU 12 HG1 GLU 12 117.172 -0.016 -12.454 89 H SER 13 HN SER 13 116.180 2.861 -8.378 90 HA SER 13 HA SER 13 113.219 2.866 -7.954 91 HB2 SER 13 HB2 SER 13 115.498 3.495 -6.065 92 HB3 SER 13 HB1 SER 13 113.792 3.658 -5.657 93 HG SER 13 HG SER 13 114.023 1.287 -6.689 94 H THR 14 HN THR 14 112.338 4.594 -8.944 95 HA THR 14 HA THR 14 113.726 7.060 -9.482 96 HB THR 14 HB THR 14 111.866 6.642 -10.884 97 HG1 THR 14 HG1 THR 14 110.629 8.310 -8.992 98 HG21 THR 14 HG21 THR 14 110.674 4.950 -9.775 99 HG22 THR 14 HG22 THR 14 109.549 6.307 -9.755 100 HG23 THR 14 HG23 THR 14 110.482 5.916 -8.312 101 H ILE 15 HN ILE 15 112.914 5.766 -6.611 102 HA ILE 15 HA ILE 15 112.443 8.446 -5.360 103 HB ILE 15 HB ILE 15 111.299 7.046 -3.516 104 HG12 ILE 15 HG12 ILE 15 111.020 5.102 -5.826 105 HG13 ILE 15 HG11 ILE 15 112.150 4.865 -4.492 106 HG21 ILE 15 HG21 ILE 15 110.062 7.324 -6.271 107 HG22 ILE 15 HG22 ILE 15 110.057 8.542 -4.994 108 HG23 ILE 15 HG23 ILE 15 109.153 7.042 -4.786 109 HD11 ILE 15 HD11 ILE 15 109.139 5.149 -4.241 110 HD12 ILE 15 HD12 ILE 15 110.258 4.962 -2.891 111 HD13 ILE 15 HD13 ILE 15 110.058 3.654 -4.056 112 H PHE 16 HN PHE 16 114.109 5.336 -5.193 113 HA PHE 16 HA PHE 16 115.661 6.378 -2.856 114 HB2 PHE 16 HB2 PHE 16 115.048 3.563 -3.753 115 HB3 PHE 16 HB1 PHE 16 116.322 3.924 -2.588 116 HD1 PHE 16 HD2 PHE 16 115.624 5.483 -0.582 117 HD2 PHE 16 HD1 PHE 16 112.861 3.244 -2.991 118 HE1 PHE 16 HE2 PHE 16 113.932 5.625 1.228 119 HE2 PHE 16 HE1 PHE 16 111.169 3.394 -1.186 120 HZ PHE 16 HZ PHE 16 111.702 4.580 0.924 121 H SER 17 HN SER 17 117.904 6.389 -2.961 122 HA SER 17 HA SER 17 119.071 6.555 -5.612 123 HB2 SER 17 HB2 SER 17 121.165 7.042 -4.394 124 HB3 SER 17 HB1 SER 17 119.825 8.010 -3.786 125 HG SER 17 HG SER 17 119.607 6.530 -2.087 126 H LYS 18 HN LYS 18 118.817 3.993 -3.235 127 HA LYS 18 HA LYS 18 120.749 2.396 -4.892 128 HB2 LYS 18 HB2 LYS 18 121.388 2.921 -2.466 129 HB3 LYS 18 HB1 LYS 18 120.074 1.839 -2.006 130 HG2 LYS 18 HG2 LYS 18 121.847 0.341 -2.085 131 HG3 LYS 18 HG1 LYS 18 121.231 0.203 -3.732 132 HD2 LYS 18 HD2 LYS 18 122.899 1.807 -4.526 133 HD3 LYS 18 HD1 LYS 18 123.480 2.049 -2.880 134 HE2 LYS 18 HE2 LYS 18 124.139 -0.319 -2.754 135 HE3 LYS 18 HE1 LYS 18 123.542 -0.577 -4.393 136 HZ1 LYS 18 HZ1 LYS 18 126.030 -0.082 -4.022 137 HZ2 LYS 18 HZ2 LYS 18 125.525 1.533 -3.862 138 HZ3 LYS 18 HZ3 LYS 18 125.221 0.683 -5.302 139 H GLY 19 HN GLY 19 119.925 0.642 -5.883 140 HA2 GLY 19 HA2 GLY 19 117.496 -0.649 -4.737 141 HA3 GLY 19 HA1 GLY 19 117.461 -0.136 -6.425 142 H TYR 20 HN TYR 20 117.251 -2.871 -5.432 143 HA TYR 20 HA TYR 20 119.709 -4.028 -6.701 144 HB2 TYR 20 HB2 TYR 20 118.123 -4.947 -4.308 145 HB3 TYR 20 HB1 TYR 20 119.100 -6.078 -5.242 146 HD1 TYR 20 HD1 TYR 20 119.342 -2.712 -3.604 147 HD2 TYR 20 HD2 TYR 20 121.352 -6.342 -4.706 148 HE1 TYR 20 HE1 TYR 20 121.373 -1.953 -2.404 149 HE2 TYR 20 HE2 TYR 20 123.384 -5.585 -3.506 150 HH TYR 20 HH TYR 20 123.447 -3.304 -1.266 151 H SER 21 HN SER 21 119.335 -5.964 -7.957 152 HA SER 21 HA SER 21 116.636 -6.003 -9.178 153 HB2 SER 21 HB2 SER 21 118.640 -5.972 -10.646 154 HB3 SER 21 HB1 SER 21 119.166 -7.495 -9.941 155 HG SER 21 HG SER 21 116.634 -7.754 -10.685 156 H ILE 22 HN ILE 22 115.415 -8.005 -9.342 157 HA ILE 22 HA ILE 22 115.228 -9.527 -7.005 158 HB ILE 22 HB ILE 22 113.966 -11.178 -8.346 159 HG12 ILE 22 HG12 ILE 22 114.849 -9.499 -10.715 160 HG13 ILE 22 HG11 ILE 22 115.488 -11.097 -10.335 161 HG21 ILE 22 HG21 ILE 22 112.271 -9.603 -9.201 162 HG22 ILE 22 HG22 ILE 22 113.443 -8.289 -9.111 163 HG23 ILE 22 HG23 ILE 22 112.887 -9.077 -7.634 164 HD11 ILE 22 HD11 ILE 22 112.603 -10.424 -10.966 165 HD12 ILE 22 HD12 ILE 22 113.172 -12.016 -10.464 166 HD13 ILE 22 HD13 ILE 22 113.717 -11.326 -11.994 167 H ASN 23 HN ASN 23 117.296 -10.033 -9.812 168 HA ASN 23 HA ASN 23 118.166 -12.685 -9.064 169 HB2 ASN 23 HB2 ASN 23 118.436 -11.845 -11.360 170 HB3 ASN 23 HB1 ASN 23 119.534 -10.591 -10.782 171 HD21 ASN 23 HD21 ASN 23 121.637 -11.193 -11.321 172 HD22 ASN 23 HD22 ASN 23 122.275 -12.757 -11.161 173 H GLU 24 HN GLU 24 119.587 -9.440 -8.605 174 HA GLU 24 HA GLU 24 121.961 -10.236 -7.308 175 HB2 GLU 24 HB2 GLU 24 120.252 -7.767 -6.900 176 HB3 GLU 24 HB1 GLU 24 121.867 -7.966 -6.221 177 HG2 GLU 24 HG2 GLU 24 122.818 -8.223 -8.456 178 HG3 GLU 24 HG1 GLU 24 121.212 -8.136 -9.175 179 H ILE 25 HN ILE 25 118.777 -9.495 -5.834 180 HA ILE 25 HA ILE 25 119.659 -10.056 -3.156 181 HB ILE 25 HB ILE 25 117.247 -10.173 -2.613 182 HG12 ILE 25 HG12 ILE 25 116.885 -9.910 -5.606 183 HG13 ILE 25 HG11 ILE 25 116.527 -11.357 -4.672 184 HG21 ILE 25 HG21 ILE 25 116.671 -7.890 -3.399 185 HG22 ILE 25 HG22 ILE 25 118.017 -7.960 -4.534 186 HG23 ILE 25 HG23 ILE 25 118.325 -7.981 -2.798 187 HD11 ILE 25 HD11 ILE 25 114.435 -10.261 -4.882 188 HD12 ILE 25 HD12 ILE 25 115.142 -8.683 -4.535 189 HD13 ILE 25 HD13 ILE 25 114.987 -9.882 -3.251 190 H SER 26 HN SER 26 118.147 -12.060 -5.667 191 HA SER 26 HA SER 26 118.952 -14.453 -4.067 192 HB2 SER 26 HB2 SER 26 116.472 -14.032 -3.918 193 HB3 SER 26 HB1 SER 26 116.387 -14.227 -5.666 194 HG SER 26 HG SER 26 116.226 -16.271 -5.200 195 H ASN 27 HN ASN 27 120.824 -14.507 -5.498 196 HA ASN 27 HA ASN 27 120.339 -14.895 -8.376 197 HB2 ASN 27 HB2 ASN 27 122.378 -13.702 -7.252 198 HB3 ASN 27 HB1 ASN 27 122.980 -15.341 -7.008 199 HD21 ASN 27 HD21 ASN 27 124.241 -13.423 -8.799 200 HD22 ASN 27 HD22 ASN 27 124.109 -14.042 -10.376 201 H LYS 28 HN LYS 28 119.952 -16.872 -9.230 202 HA LYS 28 HA LYS 28 120.055 -19.260 -7.558 203 HB2 LYS 28 HB2 LYS 28 119.532 -18.911 -10.529 204 HB3 LYS 28 HB1 LYS 28 119.311 -20.416 -9.640 205 HG2 LYS 28 HG2 LYS 28 117.177 -19.667 -9.348 206 HG3 LYS 28 HG1 LYS 28 117.885 -18.684 -8.066 207 HD2 LYS 28 HD2 LYS 28 118.271 -16.864 -9.745 208 HD3 LYS 28 HD1 LYS 28 117.411 -17.836 -10.940 209 HE2 LYS 28 HE2 LYS 28 116.248 -16.917 -8.295 210 HE3 LYS 28 HE1 LYS 28 115.929 -16.159 -9.854 211 HZ1 LYS 28 HZ1 LYS 28 114.228 -17.801 -9.140 212 HZ2 LYS 28 HZ2 LYS 28 115.403 -19.021 -9.277 213 HZ3 LYS 28 HZ3 LYS 28 114.923 -18.141 -10.649 214 H SER 29 HN SER 29 122.285 -17.625 -9.565 215 HA SER 29 HA SER 29 123.894 -20.059 -10.079 216 HB2 SER 29 HB2 SER 29 125.370 -18.537 -11.340 217 HB3 SER 29 HB1 SER 29 123.699 -18.371 -11.871 218 HG SER 29 HG SER 29 123.751 -16.660 -10.060 219 H SER 30 HN SER 30 124.983 -16.834 -9.051 220 HA SER 30 HA SER 30 127.239 -17.508 -7.643 221 HB2 SER 30 HB2 SER 30 126.258 -15.187 -7.890 222 HB3 SER 30 HB1 SER 30 125.195 -15.565 -6.538 223 HG SER 30 HG SER 30 126.911 -14.708 -5.556 224 H ASN 31 HN ASN 31 127.703 -18.064 -5.413 225 HA ASN 31 HA ASN 31 125.584 -19.776 -4.225 226 HB2 ASN 31 HB2 ASN 31 127.406 -20.734 -2.881 227 HB3 ASN 31 HB1 ASN 31 127.827 -20.766 -4.593 228 HD21 ASN 31 HD21 ASN 31 129.767 -20.733 -2.383 229 HD22 ASN 31 HD22 ASN 31 130.664 -19.301 -2.540 230 H ASN 32 HN ASN 32 127.871 -17.198 -3.256 231 HA ASN 32 HA ASN 32 127.402 -16.784 -0.632 232 HB2 ASN 32 HB2 ASN 32 127.523 -14.371 -0.983 233 HB3 ASN 32 HB1 ASN 32 128.609 -15.175 -2.115 234 HD21 ASN 32 HD21 ASN 32 126.932 -12.544 -2.257 235 HD22 ASN 32 HD22 ASN 32 126.145 -12.668 -3.757 236 H GLN 33 HN GLN 33 125.385 -17.671 0.053 237 HA GLN 33 HA GLN 33 123.083 -15.827 -0.373 238 HB2 GLN 33 HB2 GLN 33 121.554 -17.691 -0.679 239 HB3 GLN 33 HB1 GLN 33 122.838 -17.805 -1.883 240 HG2 GLN 33 HG2 GLN 33 124.035 -19.302 -0.112 241 HG3 GLN 33 HG1 GLN 33 122.426 -19.462 0.595 242 HE21 GLN 33 HE21 GLN 33 121.788 -21.550 -0.051 243 HE22 GLN 33 HE22 GLN 33 121.765 -22.079 -1.663 244 H GLN 34 HN GLN 34 122.514 -15.116 1.620 245 HA GLN 34 HA GLN 34 121.935 -16.949 3.777 246 HB2 GLN 34 HB2 GLN 34 123.677 -16.107 5.352 247 HB3 GLN 34 HB1 GLN 34 124.368 -17.002 3.997 248 HG2 GLN 34 HG2 GLN 34 124.489 -14.621 2.869 249 HG3 GLN 34 HG1 GLN 34 124.414 -14.049 4.537 250 HE21 GLN 34 HE21 GLN 34 126.776 -13.667 2.985 251 HE22 GLN 34 HE22 GLN 34 128.010 -14.637 3.632 252 H ASP 35 HN ASP 35 123.111 -13.581 3.421 253 HA ASP 35 HA ASP 35 120.457 -12.587 4.241 254 HB2 ASP 35 HB2 ASP 35 122.861 -11.619 5.781 255 HB3 ASP 35 HB1 ASP 35 121.153 -11.493 6.203 256 H ILE 36 HN ILE 36 120.078 -11.019 2.738 257 HA ILE 36 HA ILE 36 122.329 -9.661 1.415 258 HB ILE 36 HB ILE 36 119.339 -9.186 1.147 259 HG12 ILE 36 HG12 ILE 36 119.900 -11.485 0.539 260 HG13 ILE 36 HG11 ILE 36 119.592 -10.558 -0.928 261 HG21 ILE 36 HG21 ILE 36 121.697 -8.405 -0.596 262 HG22 ILE 36 HG22 ILE 36 120.706 -7.304 0.360 263 HG23 ILE 36 HG23 ILE 36 120.003 -8.155 -1.014 264 HD11 ILE 36 HD11 ILE 36 122.195 -11.582 0.152 265 HD12 ILE 36 HD12 ILE 36 122.200 -10.123 -0.833 266 HD13 ILE 36 HD13 ILE 36 121.577 -11.630 -1.498 267 H VAL 37 HN VAL 37 123.181 -7.768 2.152 268 HA VAL 37 HA VAL 37 121.522 -6.152 4.053 269 HB VAL 37 HB VAL 37 124.489 -6.714 4.054 270 HG11 VAL 37 HG11 VAL 37 122.858 -4.593 5.450 271 HG12 VAL 37 HG12 VAL 37 124.378 -4.411 4.574 272 HG13 VAL 37 HG13 VAL 37 124.359 -5.197 6.152 273 HG21 VAL 37 HG21 VAL 37 122.593 -6.978 6.373 274 HG22 VAL 37 HG22 VAL 37 124.097 -7.846 6.061 275 HG23 VAL 37 HG23 VAL 37 122.644 -8.244 5.144 276 H CYS 38 HN CYS 38 121.195 -4.066 3.478 277 HA CYS 38 HA CYS 38 122.763 -3.003 1.169 278 HB2 CYS 38 HB2 CYS 38 120.101 -2.218 2.387 279 HB3 CYS 38 HB1 CYS 38 120.951 -1.216 1.211 280 H THR 39 HN THR 39 124.619 -2.126 2.122 281 HA THR 39 HA THR 39 124.307 -0.493 4.565 282 HB THR 39 HB THR 39 126.790 -1.260 3.001 283 HG1 THR 39 HG1 THR 39 125.611 -2.278 5.370 284 HG21 THR 39 HG21 THR 39 126.430 0.020 5.725 285 HG22 THR 39 HG22 THR 39 127.101 0.797 4.291 286 HG23 THR 39 HG23 THR 39 127.969 -0.530 5.062 287 H VAL 40 HN VAL 40 123.905 1.632 4.362 288 HA VAL 40 HA VAL 40 125.238 3.124 2.144 289 HB VAL 40 HB VAL 40 123.101 4.414 1.799 290 HG11 VAL 40 HG11 VAL 40 122.903 1.427 1.296 291 HG12 VAL 40 HG12 VAL 40 123.797 2.566 0.288 292 HG13 VAL 40 HG13 VAL 40 122.042 2.691 0.415 293 HG21 VAL 40 HG21 VAL 40 122.184 3.603 4.073 294 HG22 VAL 40 HG22 VAL 40 121.762 2.113 3.230 295 HG23 VAL 40 HG23 VAL 40 121.052 3.645 2.722 296 H LYS 41 HN LYS 41 125.447 5.432 2.638 297 HA LYS 41 HA LYS 41 125.498 5.897 5.578 298 HB2 LYS 41 HB2 LYS 41 126.801 7.402 3.287 299 HB3 LYS 41 HB1 LYS 41 126.959 7.833 4.990 300 HG2 LYS 41 HG2 LYS 41 128.830 6.504 4.803 301 HG3 LYS 41 HG1 LYS 41 127.654 5.246 5.179 302 HD2 LYS 41 HD2 LYS 41 127.344 4.788 2.789 303 HD3 LYS 41 HD1 LYS 41 128.466 6.084 2.380 304 HE2 LYS 41 HE2 LYS 41 130.268 4.902 3.578 305 HE3 LYS 41 HE1 LYS 41 129.145 3.606 3.989 306 HZ1 LYS 41 HZ1 LYS 41 128.767 3.569 1.435 307 HZ2 LYS 41 HZ2 LYS 41 130.121 2.790 2.102 308 HZ3 LYS 41 HZ3 LYS 41 130.287 4.319 1.378 309 H ALA 42 HN ALA 42 124.109 7.325 6.513 310 HA ALA 42 HA ALA 42 122.278 8.826 4.697 311 HB1 ALA 42 HB1 ALA 42 121.189 7.334 6.315 312 HB2 ALA 42 HB2 ALA 42 120.827 9.013 6.702 313 HB3 ALA 42 HB3 ALA 42 122.031 8.135 7.643 314 H HIS 43 HN HIS 43 121.851 11.073 5.126 315 HA HIS 43 HA HIS 43 123.932 12.411 6.820 316 HB2 HIS 43 HB2 HIS 43 124.127 12.591 4.230 317 HB3 HIS 43 HB1 HIS 43 122.750 13.684 4.363 318 HD1 HIS 43 HD1 HIS 43 123.103 15.803 5.995 319 HD2 HIS 43 HD2 HIS 43 126.569 13.745 4.919 320 HE1 HIS 43 HE1 HIS 43 125.047 17.338 6.535 321 HE2 HIS 43 HE2 HIS 43 127.160 16.095 5.884 322 H ALA 44 HN ALA 44 123.245 14.377 7.842 323 HA ALA 44 HA ALA 44 120.652 14.350 8.958 324 HB1 ALA 44 HB1 ALA 44 122.114 15.665 10.185 325 HB2 ALA 44 HB2 ALA 44 121.238 16.916 9.308 326 HB3 ALA 44 HB3 ALA 44 122.822 16.396 8.744 327 H ASN 45 HN ASN 45 121.769 15.684 5.932 328 HA ASN 45 HA ASN 45 119.200 17.128 5.549 329 HB2 ASN 45 HB2 ASN 45 121.462 18.147 4.933 330 HB3 ASN 45 HB1 ASN 45 121.523 16.974 3.618 331 HD21 ASN 45 HD21 ASN 45 121.228 18.481 1.875 332 HD22 ASN 45 HD22 ASN 45 119.799 19.371 1.666 333 H ASP 46 HN ASP 46 120.861 14.230 4.606 334 HA ASP 46 HA ASP 46 119.211 13.727 2.246 335 HB2 ASP 46 HB2 ASP 46 121.209 12.109 3.823 336 HB3 ASP 46 HB1 ASP 46 120.246 11.370 2.547 337 H LEU 47 HN LEU 47 117.318 12.551 2.165 338 HA LEU 47 HA LEU 47 115.976 11.948 4.695 339 HB2 LEU 47 HB2 LEU 47 115.145 11.424 1.823 340 HB3 LEU 47 HB1 LEU 47 114.111 11.193 3.232 341 HG LEU 47 HG LEU 47 115.377 13.826 2.413 342 HD11 LEU 47 HD11 LEU 47 113.034 14.468 1.876 343 HD12 LEU 47 HD12 LEU 47 112.523 12.814 2.212 344 HD13 LEU 47 HD13 LEU 47 113.606 13.146 0.859 345 HD21 LEU 47 HD21 LEU 47 113.726 12.904 4.743 346 HD22 LEU 47 HD22 LEU 47 113.489 14.545 4.137 347 HD23 LEU 47 HD23 LEU 47 115.076 14.038 4.713 348 H ILE 48 HN ILE 48 115.353 9.800 5.378 349 HA ILE 48 HA ILE 48 116.941 7.620 4.055 350 HB ILE 48 HB ILE 48 117.184 6.600 6.279 351 HG12 ILE 48 HG12 ILE 48 115.826 9.123 7.286 352 HG13 ILE 48 HG11 ILE 48 115.081 7.526 7.247 353 HG21 ILE 48 HG21 ILE 48 118.891 8.210 5.464 354 HG22 ILE 48 HG22 ILE 48 118.745 8.237 7.221 355 HG23 ILE 48 HG23 ILE 48 118.012 9.518 6.255 356 HD11 ILE 48 HD11 ILE 48 115.889 7.476 9.399 357 HD12 ILE 48 HD12 ILE 48 117.225 8.564 9.032 358 HD13 ILE 48 HD13 ILE 48 117.318 6.870 8.564 359 H GLY 49 HN GLY 49 115.904 5.664 3.734 360 HA2 GLY 49 HA2 GLY 49 113.508 4.796 4.996 361 HA3 GLY 49 HA1 GLY 49 113.052 5.646 3.518 362 H PHE 50 HN PHE 50 112.285 3.262 3.120 363 HA PHE 50 HA PHE 50 114.066 2.120 1.163 364 HB2 PHE 50 HB2 PHE 50 114.580 0.005 2.234 365 HB3 PHE 50 HB1 PHE 50 115.160 1.312 3.265 366 HD1 PHE 50 HD1 PHE 50 112.624 -1.323 2.858 367 HD2 PHE 50 HD2 PHE 50 114.049 1.855 5.371 368 HE1 PHE 50 HE1 PHE 50 111.222 -2.168 4.722 369 HE2 PHE 50 HE2 PHE 50 112.647 1.011 7.234 370 HZ PHE 50 HZ PHE 50 111.235 -1.003 6.910 371 H LYS 51 HN LYS 51 113.121 -0.039 0.341 372 HA LYS 51 HA LYS 51 110.220 -0.312 0.941 373 HB2 LYS 51 HB2 LYS 51 110.328 1.314 -0.896 374 HB3 LYS 51 HB1 LYS 51 111.319 0.202 -1.838 375 HG2 LYS 51 HG2 LYS 51 109.494 -1.435 -1.864 376 HG3 LYS 51 HG1 LYS 51 108.502 -0.370 -0.868 377 HD2 LYS 51 HD2 LYS 51 108.591 1.357 -2.642 378 HD3 LYS 51 HD1 LYS 51 109.547 0.265 -3.644 379 HE2 LYS 51 HE2 LYS 51 106.749 -0.302 -2.618 380 HE3 LYS 51 HE1 LYS 51 107.151 0.190 -4.264 381 HZ1 LYS 51 HZ1 LYS 51 107.437 -2.380 -2.989 382 HZ2 LYS 51 HZ2 LYS 51 108.807 -1.890 -3.867 383 HZ3 LYS 51 HZ3 LYS 51 107.295 -1.994 -4.635 384 H CYS 52 HN CYS 52 109.440 -2.397 0.539 385 HA CYS 52 HA CYS 52 111.420 -4.378 -0.504 386 HB2 CYS 52 HB2 CYS 52 109.447 -4.641 1.790 387 HB3 CYS 52 HB1 CYS 52 110.334 -5.999 1.109 388 HA PRO 53 HA PRO 53 108.403 -5.546 -3.527 389 HB2 PRO 53 HB2 PRO 53 108.445 -8.353 -3.142 390 HB3 PRO 53 HB1 PRO 53 109.459 -7.426 -4.260 391 HG2 PRO 53 HG2 PRO 53 110.088 -8.464 -1.559 392 HG3 PRO 53 HG1 PRO 53 111.143 -8.252 -2.965 393 HD2 PRO 53 HD2 PRO 53 111.260 -6.580 -0.858 394 HD3 PRO 53 HD1 PRO 53 111.501 -5.988 -2.517 395 H SER 54 HN SER 54 106.188 -5.947 -3.619 396 HA SER 54 HA SER 54 104.711 -5.927 -1.160 397 HB2 SER 54 HB2 SER 54 103.919 -4.969 -3.340 398 HB3 SER 54 HB1 SER 54 103.682 -6.613 -3.923 399 HG SER 54 HG SER 54 101.758 -6.122 -3.071 400 H ASN 55 HN ASN 55 106.087 -8.529 -2.912 401 HA ASN 55 HA ASN 55 104.094 -10.489 -1.957 402 HB2 ASN 55 HB2 ASN 55 106.692 -10.857 -3.481 403 HB3 ASN 55 HB1 ASN 55 105.532 -12.137 -3.128 404 HD21 ASN 55 HD21 ASN 55 106.441 -10.314 -5.654 405 HD22 ASN 55 HD22 ASN 55 104.952 -10.074 -6.433 406 H TYR 56 HN TYR 56 106.597 -8.903 -0.531 407 HA TYR 56 HA TYR 56 107.393 -11.272 1.115 408 HB2 TYR 56 HB2 TYR 56 108.824 -8.743 0.375 409 HB3 TYR 56 HB1 TYR 56 109.285 -9.636 1.825 410 HD1 TYR 56 HD1 TYR 56 108.516 -10.243 -1.802 411 HD2 TYR 56 HD2 TYR 56 110.855 -11.342 1.625 412 HE1 TYR 56 HE1 TYR 56 109.801 -11.845 -3.193 413 HE2 TYR 56 HE2 TYR 56 112.141 -12.945 0.237 414 HH TYR 56 HH TYR 56 112.703 -13.243 -2.176 415 H SER 57 HN SER 57 107.822 -10.738 3.469 416 HA SER 57 HA SER 57 105.653 -8.923 4.441 417 HB2 SER 57 HB2 SER 57 107.060 -11.312 5.623 418 HB3 SER 57 HB1 SER 57 106.185 -10.185 6.652 419 HG SER 57 HG SER 57 104.791 -10.890 4.417 420 H VAL 58 HN VAL 58 106.157 -7.194 5.808 421 HA VAL 58 HA VAL 58 109.055 -6.571 6.016 422 HB VAL 58 HB VAL 58 108.437 -4.305 6.305 423 HG11 VAL 58 HG11 VAL 58 108.020 -5.191 4.025 424 HG12 VAL 58 HG12 VAL 58 106.922 -3.870 4.427 425 HG13 VAL 58 HG13 VAL 58 106.352 -5.539 4.481 426 HG21 VAL 58 HG21 VAL 58 106.798 -4.301 7.988 427 HG22 VAL 58 HG22 VAL 58 105.781 -5.462 7.129 428 HG23 VAL 58 HG23 VAL 58 105.887 -3.795 6.566 429 H GLU 59 HN GLU 59 110.062 -7.065 7.854 430 HA GLU 59 HA GLU 59 108.552 -6.914 10.425 431 HB2 GLU 59 HB2 GLU 59 110.514 -8.969 9.432 432 HB3 GLU 59 HB1 GLU 59 110.317 -8.691 11.161 433 HG2 GLU 59 HG2 GLU 59 108.864 -10.533 10.208 434 HG3 GLU 59 HG1 GLU 59 107.987 -9.271 11.073 435 HA PRO 60 HA PRO 60 111.947 -4.032 11.076 436 HB2 PRO 60 HB2 PRO 60 111.267 -3.158 13.549 437 HB3 PRO 60 HB1 PRO 60 110.360 -2.682 12.098 438 HG2 PRO 60 HG2 PRO 60 109.708 -4.739 14.150 439 HG3 PRO 60 HG1 PRO 60 108.642 -3.578 13.340 440 HD2 PRO 60 HD2 PRO 60 108.855 -6.231 12.603 441 HD3 PRO 60 HD1 PRO 60 108.354 -4.930 11.496 442 H HIS 61 HN HIS 61 113.933 -4.952 11.474 443 HA HIS 61 HA HIS 61 114.256 -6.739 13.820 444 HB2 HIS 61 HB2 HIS 61 115.207 -7.201 11.439 445 HB3 HIS 61 HB1 HIS 61 116.443 -6.023 11.877 446 HD1 HIS 61 HD1 HIS 61 115.737 -7.361 15.001 447 HD2 HIS 61 HD2 HIS 61 117.678 -8.959 11.672 448 HE1 HIS 61 HE1 HIS 61 117.161 -9.279 15.852 449 HE2 HIS 61 HE2 HIS 61 118.346 -10.257 13.834 450 H ASP 62 HN ASP 62 114.954 -3.557 12.684 451 HA ASP 62 HA ASP 62 115.725 -2.618 15.289 452 HB2 ASP 62 HB2 ASP 62 117.849 -3.757 14.650 453 HB3 ASP 62 HB1 ASP 62 117.935 -2.744 13.209 454 H CYS 63 HN CYS 63 113.813 -1.935 13.320 455 HA CYS 63 HA CYS 63 114.605 0.248 11.655 456 HB2 CYS 63 HB2 CYS 63 111.913 -0.434 12.869 457 HB3 CYS 63 HB1 CYS 63 112.159 0.787 11.622 458 H PHE 64 HN PHE 64 112.590 2.225 12.560 459 HA PHE 64 HA PHE 64 114.177 3.341 14.838 460 HB2 PHE 64 HB2 PHE 64 113.175 5.555 14.002 461 HB3 PHE 64 HB1 PHE 64 114.432 4.806 13.020 462 HD1 PHE 64 HD2 PHE 64 113.706 3.303 11.068 463 HD2 PHE 64 HD1 PHE 64 111.040 5.988 13.100 464 HE1 PHE 64 HE2 PHE 64 112.153 3.221 9.137 465 HE2 PHE 64 HE1 PHE 64 109.489 5.908 11.168 466 HZ PHE 64 HZ PHE 64 110.044 4.526 9.186 467 H VAL 65 HN VAL 65 110.786 3.571 13.591 468 HA VAL 65 HA VAL 65 109.609 4.642 15.880 469 HB VAL 65 HB VAL 65 108.561 2.518 13.995 470 HG11 VAL 65 HG11 VAL 65 107.278 2.056 15.906 471 HG12 VAL 65 HG12 VAL 65 106.300 3.271 15.082 472 HG13 VAL 65 HG13 VAL 65 107.312 3.734 16.451 473 HG21 VAL 65 HG21 VAL 65 107.127 4.423 13.259 474 HG22 VAL 65 HG22 VAL 65 108.845 4.767 13.062 475 HG23 VAL 65 HG23 VAL 65 107.957 5.465 14.415 476 H SER 66 HN SER 66 109.507 1.123 15.293 477 HA SER 66 HA SER 66 110.384 0.659 18.090 478 HB2 SER 66 HB2 SER 66 107.913 0.690 18.178 479 HB3 SER 66 HB1 SER 66 107.850 -0.510 16.890 480 HG SER 66 HG SER 66 107.698 -1.363 19.069 481 H ALA 67 HN ALA 67 111.789 -1.090 18.146 482 HA ALA 67 HA ALA 67 111.549 -3.330 16.334 483 HB1 ALA 67 HB1 ALA 67 113.462 -2.913 14.911 484 HB2 ALA 67 HB2 ALA 67 113.833 -1.423 15.778 485 HB3 ALA 67 HB3 ALA 67 112.378 -1.529 14.792 486 H PHE 68 HN PHE 68 113.813 -4.546 16.348 487 HA PHE 68 HA PHE 68 114.598 -4.719 19.201 488 HB2 PHE 68 HB2 PHE 68 115.547 -6.527 16.971 489 HB3 PHE 68 HB1 PHE 68 115.451 -6.882 18.693 490 HD1 PHE 68 HD1 PHE 68 113.313 -6.027 15.748 491 HD2 PHE 68 HD2 PHE 68 113.544 -7.941 19.583 492 HE1 PHE 68 HE1 PHE 68 111.034 -6.949 15.422 493 HE2 PHE 68 HE2 PHE 68 111.263 -8.859 19.260 494 HZ PHE 68 HZ PHE 68 110.008 -8.360 17.173 495 H ASN 69 HN ASN 69 116.708 -4.265 19.898 496 HA ASN 69 HA ASN 69 118.338 -2.649 18.081 497 HB2 ASN 69 HB2 ASN 69 118.672 -3.503 20.963 498 HB3 ASN 69 HB1 ASN 69 119.881 -2.546 20.106 499 HD21 ASN 69 HD21 ASN 69 118.480 -1.471 22.360 500 HD22 ASN 69 HD22 ASN 69 117.476 -0.217 21.815 501 H LEU 70 HN LEU 70 120.923 -3.243 18.649 502 HA LEU 70 HA LEU 70 121.427 -5.562 17.035 503 HB2 LEU 70 HB2 LEU 70 123.196 -3.840 18.785 504 HB3 LEU 70 HB1 LEU 70 123.830 -5.211 17.879 505 HG LEU 70 HG LEU 70 122.184 -3.072 16.523 506 HD11 LEU 70 HD11 LEU 70 125.156 -3.085 17.105 507 HD12 LEU 70 HD12 LEU 70 123.986 -1.834 17.521 508 HD13 LEU 70 HD13 LEU 70 124.429 -2.101 15.835 509 HD21 LEU 70 HD21 LEU 70 122.480 -5.000 15.152 510 HD22 LEU 70 HD22 LEU 70 124.153 -5.205 15.663 511 HD23 LEU 70 HD23 LEU 70 123.711 -3.870 14.604 512 H SER 71 HN SER 71 120.719 -5.182 20.350 513 HA SER 71 HA SER 71 122.059 -7.675 21.177 514 HB2 SER 71 HB2 SER 71 121.846 -5.738 22.744 515 HB3 SER 71 HB1 SER 71 120.095 -5.923 22.692 516 HG SER 71 HG SER 71 120.679 -8.229 23.294 517 H GLY 72 HN GLY 72 119.245 -6.828 19.580 518 HA2 GLY 72 HA2 GLY 72 117.513 -8.250 18.825 519 HA3 GLY 72 HA1 GLY 72 118.156 -9.527 19.860 520 H LYS 73 HN LYS 73 117.634 -6.439 21.317 521 HA LYS 73 HA LYS 73 115.274 -7.573 22.763 522 HB2 LYS 73 HB2 LYS 73 117.246 -5.404 23.554 523 HB3 LYS 73 HB1 LYS 73 115.839 -5.871 24.511 524 HG2 LYS 73 HG2 LYS 73 116.705 -8.176 24.673 525 HG3 LYS 73 HG1 LYS 73 118.112 -7.715 23.713 526 HD2 LYS 73 HD2 LYS 73 118.788 -6.099 25.429 527 HD3 LYS 73 HD1 LYS 73 117.353 -6.483 26.379 528 HE2 LYS 73 HE2 LYS 73 119.287 -7.706 27.260 529 HE3 LYS 73 HE1 LYS 73 118.127 -8.837 26.562 530 HZ1 LYS 73 HZ1 LYS 73 119.684 -8.207 24.453 531 HZ2 LYS 73 HZ2 LYS 73 119.876 -9.587 25.424 532 HZ3 LYS 73 HZ3 LYS 73 120.808 -8.198 25.723 533 H ASN 74 HN ASN 74 113.342 -6.405 22.778 534 HA ASN 74 HA ASN 74 112.860 -4.545 20.657 535 HB2 ASN 74 HB2 ASN 74 111.102 -5.964 21.722 536 HB3 ASN 74 HB1 ASN 74 111.206 -4.952 23.163 537 HD21 ASN 74 HD21 ASN 74 108.770 -5.113 21.677 538 HD22 ASN 74 HD22 ASN 74 108.485 -3.610 20.943 539 H GLU 75 HN GLU 75 113.004 -2.336 20.589 540 HA GLU 75 HA GLU 75 113.125 -0.761 23.076 541 HB2 GLU 75 HB2 GLU 75 115.494 -1.633 22.486 542 HB3 GLU 75 HB1 GLU 75 115.420 -0.505 21.133 543 HG2 GLU 75 HG2 GLU 75 116.487 0.623 22.992 544 HG3 GLU 75 HG1 GLU 75 114.888 1.326 22.774 545 H ASN 76 HN ASN 76 113.176 1.617 22.546 546 HA ASN 76 HA ASN 76 111.806 2.106 19.930 547 HB2 ASN 76 HB2 ASN 76 111.612 3.409 22.637 548 HB3 ASN 76 HB1 ASN 76 111.143 4.298 21.190 549 HD21 ASN 76 HD21 ASN 76 108.938 4.105 20.782 550 HD22 ASN 76 HD22 ASN 76 108.000 2.728 21.109 551 H LEU 77 HN LEU 77 112.673 3.624 18.518 552 HA LEU 77 HA LEU 77 115.361 4.670 19.225 553 HB2 LEU 77 HB2 LEU 77 114.778 3.379 17.040 554 HB3 LEU 77 HB1 LEU 77 114.047 4.895 16.521 555 HG LEU 77 HG LEU 77 116.334 5.948 17.242 556 HD11 LEU 77 HD11 LEU 77 117.484 3.300 16.479 557 HD12 LEU 77 HD12 LEU 77 116.917 3.480 18.135 558 HD13 LEU 77 HD13 LEU 77 118.156 4.564 17.508 559 HD21 LEU 77 HD21 LEU 77 115.403 5.663 14.894 560 HD22 LEU 77 HD22 LEU 77 116.302 4.148 14.806 561 HD23 LEU 77 HD23 LEU 77 117.159 5.675 15.003 562 H GLU 78 HN GLU 78 112.107 5.739 18.920 563 HA GLU 78 HA GLU 78 112.517 8.419 18.045 564 HB2 GLU 78 HB2 GLU 78 110.385 8.853 19.445 565 HB3 GLU 78 HB1 GLU 78 110.267 7.702 18.116 566 HG2 GLU 78 HG2 GLU 78 110.511 5.832 19.647 567 HG3 GLU 78 HG1 GLU 78 110.792 6.928 21.000 568 H ASN 79 HN ASN 79 112.578 7.014 21.328 569 HA ASN 79 HA ASN 79 113.067 9.503 22.675 570 HB2 ASN 79 HB2 ASN 79 113.744 6.641 23.424 571 HB3 ASN 79 HB1 ASN 79 113.971 8.014 24.508 572 HD21 ASN 79 HD21 ASN 79 112.080 5.773 24.925 573 HD22 ASN 79 HD22 ASN 79 110.529 6.459 24.972 574 H LYS 80 HN LYS 80 115.001 7.620 20.599 575 HA LYS 80 HA LYS 80 117.518 8.744 21.704 576 HB2 LYS 80 HB2 LYS 80 117.739 6.408 21.243 577 HB3 LYS 80 HB1 LYS 80 116.924 6.564 19.691 578 HG2 LYS 80 HG2 LYS 80 119.384 6.327 19.429 579 HG3 LYS 80 HG1 LYS 80 118.806 7.859 18.795 580 HD2 LYS 80 HD2 LYS 80 120.857 8.129 20.176 581 HD3 LYS 80 HD1 LYS 80 119.498 9.006 20.850 582 HE2 LYS 80 HE2 LYS 80 119.202 7.475 22.600 583 HE3 LYS 80 HE1 LYS 80 120.032 6.183 21.733 584 HZ1 LYS 80 HZ1 LYS 80 121.579 8.576 22.333 585 HZ2 LYS 80 HZ2 LYS 80 122.051 6.944 22.344 586 HZ3 LYS 80 HZ3 LYS 80 121.176 7.587 23.651 587 H LEU 81 HN LEU 81 115.574 8.619 18.736 588 HA LEU 81 HA LEU 81 117.054 11.033 17.766 589 HB2 LEU 81 HB2 LEU 81 117.582 8.951 16.459 590 HB3 LEU 81 HB1 LEU 81 115.874 8.835 16.044 591 HG LEU 81 HG LEU 81 116.018 11.138 15.055 592 HD11 LEU 81 HD11 LEU 81 118.540 11.697 14.482 593 HD12 LEU 81 HD12 LEU 81 118.859 10.770 15.946 594 HD13 LEU 81 HD13 LEU 81 117.845 12.210 16.018 595 HD21 LEU 81 HD21 LEU 81 116.947 10.381 13.002 596 HD22 LEU 81 HD22 LEU 81 116.364 8.915 13.792 597 HD23 LEU 81 HD23 LEU 81 118.079 9.311 13.822 598 H LYS 82 HN LYS 82 115.698 12.761 17.484 599 HA LYS 82 HA LYS 82 112.816 12.367 17.785 600 HB2 LYS 82 HB2 LYS 82 113.941 14.326 18.796 601 HB3 LYS 82 HB1 LYS 82 114.404 14.884 17.189 602 HG2 LYS 82 HG2 LYS 82 112.409 16.088 17.847 603 HG3 LYS 82 HG1 LYS 82 111.957 14.944 16.587 604 HD2 LYS 82 HD2 LYS 82 110.916 13.480 18.109 605 HD3 LYS 82 HD1 LYS 82 111.759 14.179 19.494 606 HE2 LYS 82 HE2 LYS 82 109.426 14.922 19.478 607 HE3 LYS 82 HE1 LYS 82 110.489 16.291 19.156 608 HZ1 LYS 82 HZ1 LYS 82 108.999 14.704 17.139 609 HZ2 LYS 82 HZ2 LYS 82 110.098 15.947 16.774 610 HZ3 LYS 82 HZ3 LYS 82 108.663 16.297 17.615 611 H LEU 83 HN LEU 83 112.442 11.091 15.839 612 HA LEU 83 HA LEU 83 113.007 12.222 13.218 613 HB2 LEU 83 HB2 LEU 83 111.288 9.897 14.118 614 HB3 LEU 83 HB1 LEU 83 111.532 10.325 12.427 615 HG LEU 83 HG LEU 83 113.806 9.751 14.349 616 HD11 LEU 83 HD11 LEU 83 112.470 7.727 14.104 617 HD12 LEU 83 HD12 LEU 83 113.945 7.557 13.151 618 HD13 LEU 83 HD13 LEU 83 112.418 7.935 12.354 619 HD21 LEU 83 HD21 LEU 83 114.832 9.278 11.945 620 HD22 LEU 83 HD22 LEU 83 114.750 10.921 12.574 621 HD23 LEU 83 HD23 LEU 83 113.544 10.359 11.419 622 H THR 84 HN THR 84 111.561 13.240 11.819 623 HA THR 84 HA THR 84 108.861 13.904 12.941 624 HB THR 84 HB THR 84 109.074 16.161 12.043 625 HG1 THR 84 HG1 THR 84 111.643 15.291 11.214 626 HG21 THR 84 HG21 THR 84 110.939 16.993 13.454 627 HG22 THR 84 HG22 THR 84 111.516 15.337 13.638 628 HG23 THR 84 HG23 THR 84 109.949 15.804 14.301 629 H ASN 85 HN ASN 85 107.244 14.372 11.258 630 HA ASN 85 HA ASN 85 106.141 13.778 9.270 631 HB2 ASN 85 HB2 ASN 85 108.924 14.449 8.316 632 HB3 ASN 85 HB1 ASN 85 107.668 13.939 7.189 633 HD21 ASN 85 HD21 ASN 85 108.738 16.567 7.032 634 HD22 ASN 85 HD22 ASN 85 107.545 17.677 7.507 635 H ILE 86 HN ILE 86 106.678 11.581 10.752 636 HA ILE 86 HA ILE 86 108.226 9.607 9.266 637 HB ILE 86 HB ILE 86 106.308 9.357 11.599 638 HG12 ILE 86 HG12 ILE 86 109.328 9.125 11.520 639 HG13 ILE 86 HG11 ILE 86 108.491 10.634 11.888 640 HG21 ILE 86 HG21 ILE 86 107.936 7.342 10.076 641 HG22 ILE 86 HG22 ILE 86 106.297 7.204 10.707 642 HG23 ILE 86 HG23 ILE 86 107.669 7.121 11.805 643 HD11 ILE 86 HD11 ILE 86 107.287 9.443 13.742 644 HD12 ILE 86 HD12 ILE 86 109.032 9.533 13.981 645 HD13 ILE 86 HD13 ILE 86 108.295 8.029 13.426 646 H ILE 87 HN ILE 87 107.490 8.304 7.663 647 HA ILE 87 HA ILE 87 104.530 8.195 7.176 648 HB ILE 87 HB ILE 87 106.794 7.989 5.161 649 HG12 ILE 87 HG12 ILE 87 106.572 10.282 5.976 650 HG13 ILE 87 HG11 ILE 87 105.912 10.178 4.345 651 HG21 ILE 87 HG21 ILE 87 105.040 6.736 4.251 652 HG22 ILE 87 HG22 ILE 87 104.725 8.346 3.601 653 HG23 ILE 87 HG23 ILE 87 103.802 7.756 4.983 654 HD11 ILE 87 HD11 ILE 87 103.644 9.707 5.590 655 HD12 ILE 87 HD12 ILE 87 104.233 11.360 5.456 656 HD13 ILE 87 HD13 ILE 87 104.457 10.464 6.957 657 H MET 88 HN MET 88 103.748 6.161 7.613 658 HA MET 88 HA MET 88 105.582 3.839 7.093 659 HB2 MET 88 HB2 MET 88 103.400 4.051 9.188 660 HB3 MET 88 HB1 MET 88 104.445 2.657 8.913 661 HG2 MET 88 HG2 MET 88 106.418 3.967 9.499 662 HG3 MET 88 HG1 MET 88 105.433 5.415 9.664 663 HE1 MET 88 HE1 MET 88 105.961 1.910 12.502 664 HE2 MET 88 HE2 MET 88 106.851 2.338 11.043 665 HE3 MET 88 HE3 MET 88 105.262 1.590 10.907 666 H ASP 89 HN ASP 89 104.863 3.110 5.121 667 HA ASP 89 HA ASP 89 101.914 2.685 4.793 668 HB2 ASP 89 HB2 ASP 89 104.136 3.069 2.775 669 HB3 ASP 89 HB1 ASP 89 102.529 2.500 2.325 670 H HIS 90 HN HIS 90 101.658 0.617 5.650 671 HA HIS 90 HA HIS 90 103.585 -1.500 5.220 672 HB2 HIS 90 HB2 HIS 90 100.729 -1.517 6.213 673 HB3 HIS 90 HB1 HIS 90 101.743 -2.959 6.144 674 HD1 HIS 90 HD1 HIS 90 101.062 0.036 8.178 675 HD2 HIS 90 HD2 HIS 90 104.142 -2.758 7.841 676 HE1 HIS 90 HE1 HIS 90 102.496 0.295 10.252 677 HE2 HIS 90 HE2 HIS 90 104.373 -1.399 10.056 678 H TYR 91 HN TYR 91 100.568 -0.552 3.613 679 HA TYR 91 HA TYR 91 100.242 -2.900 2.034 680 HB2 TYR 91 HB2 TYR 91 98.477 -1.224 2.157 681 HB3 TYR 91 HB1 TYR 91 99.522 -0.026 1.390 682 HD1 TYR 91 HD1 TYR 91 97.979 -3.389 0.842 683 HD2 TYR 91 HD2 TYR 91 99.623 0.149 -0.955 684 HE1 TYR 91 HE1 TYR 91 97.275 -4.198 -1.394 685 HE2 TYR 91 HE2 TYR 91 98.918 -0.660 -3.191 686 HH TYR 91 HH TYR 91 97.404 -2.168 -4.206 687 H ASN 92 HN ASN 92 102.058 0.103 1.364 688 HA ASN 92 HA ASN 92 103.119 -1.092 -1.122 689 HB2 ASN 92 HB2 ASN 92 103.468 1.608 0.201 690 HB3 ASN 92 HB1 ASN 92 104.373 1.128 -1.236 691 HD21 ASN 92 HD21 ASN 92 102.472 3.303 -1.272 692 HD22 ASN 92 HD22 ASN 92 101.182 2.851 -2.278 693 H ASN 93 HN ASN 93 103.832 -1.220 2.131 694 HA ASN 93 HA ASN 93 105.726 -1.899 3.330 695 HB2 ASN 93 HB2 ASN 93 106.348 -3.012 0.583 696 HB3 ASN 93 HB1 ASN 93 107.304 -3.378 2.019 697 HD21 ASN 93 HD21 ASN 93 105.839 -5.416 0.590 698 HD22 ASN 93 HD22 ASN 93 104.602 -5.982 1.606 699 H THR 94 HN THR 94 105.885 0.776 2.652 700 HA THR 94 HA THR 94 108.803 1.069 2.102 701 HB THR 94 HB THR 94 107.694 1.748 0.057 702 HG1 THR 94 HG1 THR 94 109.342 3.108 0.615 703 HG21 THR 94 HG21 THR 94 105.884 3.320 -0.003 704 HG22 THR 94 HG22 THR 94 106.063 3.684 1.713 705 HG23 THR 94 HG23 THR 94 105.461 2.106 1.204 706 H PHE 95 HN PHE 95 109.829 2.541 3.440 707 HA PHE 95 HA PHE 95 108.089 4.085 5.342 708 HB2 PHE 95 HB2 PHE 95 110.647 2.594 6.014 709 HB3 PHE 95 HB1 PHE 95 109.680 3.547 7.140 710 HD1 PHE 95 HD1 PHE 95 109.783 0.469 5.092 711 HD2 PHE 95 HD2 PHE 95 107.572 2.723 8.000 712 HE1 PHE 95 HE1 PHE 95 108.340 -1.501 5.522 713 HE2 PHE 95 HE2 PHE 95 106.127 0.755 8.431 714 HZ PHE 95 HZ PHE 95 106.511 -1.359 7.191 715 H TYR 96 HN TYR 96 108.776 6.174 5.783 716 HA TYR 96 HA TYR 96 111.450 7.009 4.726 717 HB2 TYR 96 HB2 TYR 96 108.857 8.537 4.327 718 HB3 TYR 96 HB1 TYR 96 110.457 9.060 3.808 719 HD1 TYR 96 HD1 TYR 96 107.700 6.694 3.202 720 HD2 TYR 96 HD2 TYR 96 111.564 8.036 1.895 721 HE1 TYR 96 HE1 TYR 96 107.402 5.473 1.064 722 HE2 TYR 96 HE2 TYR 96 111.268 6.811 -0.241 723 HH TYR 96 HH TYR 96 109.481 4.492 -0.798 724 H SER 97 HN SER 97 112.417 8.703 5.937 725 HA SER 97 HA SER 97 110.873 9.994 8.087 726 HB2 SER 97 HB2 SER 97 112.094 9.152 9.908 727 HB3 SER 97 HB1 SER 97 111.861 7.721 8.909 728 HG SER 97 HG SER 97 114.146 9.043 9.585 729 H ARG 98 HN ARG 98 112.142 11.778 9.086 730 HA ARG 98 HA ARG 98 114.237 12.763 7.186 731 HB2 ARG 98 HB2 ARG 98 112.511 14.333 9.129 732 HB3 ARG 98 HB1 ARG 98 113.660 15.015 7.978 733 HG2 ARG 98 HG2 ARG 98 112.357 14.086 6.106 734 HG3 ARG 98 HG1 ARG 98 111.221 13.365 7.244 735 HD2 ARG 98 HD2 ARG 98 110.183 15.395 6.585 736 HD3 ARG 98 HD1 ARG 98 110.879 15.744 8.154 737 HE ARG 98 HE ARG 98 112.820 16.382 6.154 738 HH11 ARG 98 HH21 ARG 98 109.622 17.342 7.038 739 HH12 ARG 98 HH22 ARG 98 109.873 19.006 6.635 740 HH21 ARG 98 HH11 ARG 98 113.158 18.544 5.632 741 HH22 ARG 98 HH12 ARG 98 111.875 19.688 5.843 742 H LEU 99 HN LEU 99 116.253 13.275 7.975 743 HA LEU 99 HA LEU 99 116.838 12.485 10.758 744 HB2 LEU 99 HB2 LEU 99 118.562 13.124 8.367 745 HB3 LEU 99 HB1 LEU 99 119.244 12.880 9.971 746 HG LEU 99 HG LEU 99 117.557 10.873 8.456 747 HD11 LEU 99 HD11 LEU 99 119.844 9.613 8.678 748 HD12 LEU 99 HD12 LEU 99 120.511 11.232 8.895 749 HD13 LEU 99 HD13 LEU 99 119.652 10.825 7.410 750 HD21 LEU 99 HD21 LEU 99 118.745 9.489 10.470 751 HD22 LEU 99 HD22 LEU 99 117.146 10.215 10.619 752 HD23 LEU 99 HD23 LEU 99 118.557 11.055 11.257 753 HA PRO 100 HA PRO 100 116.811 16.671 12.346 754 HB2 PRO 100 HB2 PRO 100 119.331 15.792 13.705 755 HB3 PRO 100 HB1 PRO 100 117.905 16.597 14.389 756 HG2 PRO 100 HG2 PRO 100 118.361 13.989 14.733 757 HG3 PRO 100 HG1 PRO 100 116.725 14.647 14.577 758 HD2 PRO 100 HD2 PRO 100 118.273 13.018 12.640 759 HD3 PRO 100 HD1 PRO 100 116.514 13.228 12.802 760 H SER 101 HN SER 101 118.412 18.578 12.432 761 HA SER 101 HA SER 101 119.910 18.626 9.924 762 HB2 SER 101 HB2 SER 101 119.585 20.696 12.110 763 HB3 SER 101 HB1 SER 101 120.406 20.983 10.579 764 HG SER 101 HG SER 101 117.850 19.867 10.507 765 H LEU 102 HN LEU 102 120.631 17.716 13.108 766 HA LEU 102 HA LEU 102 123.554 17.898 12.502 767 HB2 LEU 102 HB2 LEU 102 122.998 19.727 14.036 768 HB3 LEU 102 HB1 LEU 102 122.219 18.590 15.135 769 HG LEU 102 HG LEU 102 124.348 17.439 15.502 770 HD11 LEU 102 HD11 LEU 102 125.238 19.308 13.326 771 HD12 LEU 102 HD12 LEU 102 125.579 17.589 13.527 772 HD13 LEU 102 HD13 LEU 102 126.406 18.776 14.536 773 HD21 LEU 102 HD21 LEU 102 125.653 19.538 16.384 774 HD22 LEU 102 HD22 LEU 102 124.080 19.149 17.082 775 HD23 LEU 102 HD23 LEU 102 124.216 20.423 15.870 776 H ILE 103 HN ILE 103 124.587 15.982 12.821 777 HA ILE 103 HA ILE 103 123.570 14.068 14.831 778 HB ILE 103 HB ILE 103 123.878 13.384 11.890 779 HG12 ILE 103 HG12 ILE 103 121.485 13.119 13.738 780 HG13 ILE 103 HG11 ILE 103 121.713 14.456 12.616 781 HG21 ILE 103 HG21 ILE 103 123.427 11.635 14.327 782 HG22 ILE 103 HG22 ILE 103 124.795 11.575 13.213 783 HG23 ILE 103 HG23 ILE 103 123.189 11.085 12.669 784 HD11 ILE 103 HD11 ILE 103 121.382 13.147 10.745 785 HD12 ILE 103 HD12 ILE 103 120.322 12.336 11.894 786 HD13 ILE 103 HD13 ILE 103 121.914 11.674 11.548 787 H SER 104 HN SER 104 125.485 14.091 16.002 788 HA SER 104 HA SER 104 128.036 13.731 14.497 789 HB2 SER 104 HB2 SER 104 127.519 14.539 17.373 790 HB3 SER 104 HB1 SER 104 129.114 14.366 16.649 791 HG SER 104 HG SER 104 127.764 16.515 16.668 792 H ASP 105 HN ASP 105 125.742 11.922 16.158 793 HA ASP 105 HA ASP 105 127.600 10.053 17.431 794 HB2 ASP 105 HB2 ASP 105 124.616 10.122 17.019 795 HB3 ASP 105 HB1 ASP 105 125.416 8.677 17.648 796 H ASN 106 HN ASN 106 127.858 7.832 16.767 797 HA ASN 106 HA ASN 106 127.609 7.477 13.813 798 HB2 ASN 106 HB2 ASN 106 129.375 6.149 15.884 799 HB3 ASN 106 HB1 ASN 106 129.267 5.599 14.213 800 HD21 ASN 106 HD21 ASN 106 131.719 6.612 15.320 801 HD22 ASN 106 HD22 ASN 106 132.092 8.068 14.530 802 H TRP 107 HN TRP 107 125.358 7.092 15.648 803 HA TRP 107 HA TRP 107 124.997 4.337 16.294 804 HB2 TRP 107 HB2 TRP 107 122.593 4.899 16.474 805 HB3 TRP 107 HB1 TRP 107 123.602 6.092 17.287 806 HD1 TRP 107 HD1 TRP 107 124.163 8.352 15.761 807 HE1 TRP 107 HE1 TRP 107 122.611 9.641 14.182 808 HE3 TRP 107 HE3 TRP 107 120.638 4.766 14.912 809 HZ2 TRP 107 HZ2 TRP 107 120.171 9.209 12.736 810 HZ3 TRP 107 HZ3 TRP 107 118.711 5.235 13.428 811 HH2 TRP 107 HH2 TRP 107 118.470 7.447 12.342 812 H LYS 108 HN LYS 108 123.728 2.740 15.238 813 HA LYS 108 HA LYS 108 123.214 3.191 12.331 814 HB2 LYS 108 HB2 LYS 108 124.149 0.488 13.147 815 HB3 LYS 108 HB1 LYS 108 124.500 1.409 11.684 816 HG2 LYS 108 HG2 LYS 108 125.907 2.944 13.196 817 HG3 LYS 108 HG1 LYS 108 125.773 1.675 14.410 818 HD2 LYS 108 HD2 LYS 108 126.831 1.249 11.600 819 HD3 LYS 108 HD1 LYS 108 127.845 1.465 13.027 820 HE2 LYS 108 HE2 LYS 108 127.742 -0.821 13.086 821 HE3 LYS 108 HE1 LYS 108 126.221 -0.513 13.922 822 HZ1 LYS 108 HZ1 LYS 108 125.876 -0.403 11.105 823 HZ2 LYS 108 HZ2 LYS 108 125.090 -1.384 12.248 824 HZ3 LYS 108 HZ3 LYS 108 126.560 -1.886 11.563 825 H PHE 109 HN PHE 109 121.507 1.795 11.478 826 HA PHE 109 HA PHE 109 120.061 0.091 13.405 827 HB2 PHE 109 HB2 PHE 109 118.001 1.286 13.369 828 HB3 PHE 109 HB1 PHE 109 119.231 2.497 13.710 829 HD1 PHE 109 HD2 PHE 109 119.970 4.077 11.950 830 HD2 PHE 109 HD1 PHE 109 116.795 1.264 11.278 831 HE1 PHE 109 HE2 PHE 109 119.255 5.360 9.954 832 HE2 PHE 109 HE1 PHE 109 116.082 2.545 9.279 833 HZ PHE 109 HZ PHE 109 117.312 4.592 8.615 834 H PHE 110 HN PHE 110 118.271 -1.127 12.238 835 HA PHE 110 HA PHE 110 118.398 -0.975 9.303 836 HB2 PHE 110 HB2 PHE 110 118.985 -3.465 9.202 837 HB3 PHE 110 HB1 PHE 110 120.297 -2.369 9.637 838 HD1 PHE 110 HD2 PHE 110 120.828 -2.034 12.113 839 HD2 PHE 110 HD1 PHE 110 118.271 -5.176 10.679 840 HE1 PHE 110 HE2 PHE 110 121.134 -3.258 14.248 841 HE2 PHE 110 HE1 PHE 110 118.579 -6.398 12.814 842 HZ PHE 110 HZ PHE 110 120.010 -5.441 14.598 843 H CYS 111 HN CYS 111 116.881 -2.427 8.246 844 HA CYS 111 HA CYS 111 114.658 -3.381 10.016 845 HB2 CYS 111 HB2 CYS 111 114.481 -1.923 7.359 846 HB3 CYS 111 HB1 CYS 111 113.116 -2.746 8.111 847 H VAL 112 HN VAL 112 113.500 -5.268 9.074 848 HA VAL 112 HA VAL 112 115.121 -6.642 6.951 849 HB VAL 112 HB VAL 112 114.045 -7.750 9.541 850 HG11 VAL 112 HG11 VAL 112 115.066 -9.930 8.540 851 HG12 VAL 112 HG12 VAL 112 114.841 -9.132 6.983 852 HG13 VAL 112 HG13 VAL 112 113.451 -9.446 8.021 853 HG21 VAL 112 HG21 VAL 112 116.793 -7.827 8.261 854 HG22 VAL 112 HG22 VAL 112 116.373 -8.396 9.876 855 HG23 VAL 112 HG23 VAL 112 116.306 -6.673 9.502 856 H CYS 113 HN CYS 113 114.040 -7.710 5.401 857 HA CYS 113 HA CYS 113 111.058 -7.910 5.586 858 HB2 CYS 113 HB2 CYS 113 112.795 -7.258 3.178 859 HB3 CYS 113 HB1 CYS 113 111.084 -7.658 3.069 860 H SER 114 HN SER 114 110.343 -10.068 5.242 861 HA SER 114 HA SER 114 111.862 -11.896 3.581 862 HB2 SER 114 HB2 SER 114 112.886 -13.258 5.196 863 HB3 SER 114 HB1 SER 114 113.200 -11.626 5.780 864 HG SER 114 HG SER 114 110.911 -13.100 6.552 865 H LYS 115 HN LYS 115 111.137 -14.255 4.125 866 HA LYS 115 HA LYS 115 108.417 -14.492 5.220 867 HB2 LYS 115 HB2 LYS 115 109.069 -14.997 2.303 868 HB3 LYS 115 HB1 LYS 115 107.658 -15.691 3.099 869 HG2 LYS 115 HG2 LYS 115 107.116 -13.252 3.798 870 HG3 LYS 115 HG1 LYS 115 108.261 -12.794 2.538 871 HD2 LYS 115 HD2 LYS 115 105.860 -14.603 2.115 872 HD3 LYS 115 HD1 LYS 115 105.911 -12.893 1.697 873 HE2 LYS 115 HE2 LYS 115 107.881 -13.372 0.215 874 HE3 LYS 115 HE1 LYS 115 107.650 -15.088 0.547 875 HZ1 LYS 115 HZ1 LYS 115 105.173 -14.146 -0.161 876 HZ2 LYS 115 HZ2 LYS 115 106.207 -15.101 -1.111 877 HZ3 LYS 115 HZ3 LYS 115 106.239 -13.408 -1.254 878 H ASP 116 HN ASP 116 107.826 -16.883 5.299 879 HA ASP 116 HA ASP 116 109.993 -18.444 6.282 880 HB2 ASP 116 HB2 ASP 116 107.260 -19.241 5.245 881 HB3 ASP 116 HB1 ASP 116 108.382 -20.386 5.981 882 H ASN 117 HN ASN 117 111.115 -20.237 5.303 883 HA ASN 117 HA ASN 117 112.387 -21.113 3.516 884 HB2 ASN 117 HB2 ASN 117 110.174 -22.293 3.313 885 HB3 ASN 117 HB1 ASN 117 109.688 -21.071 2.138 886 HD21 ASN 117 HD21 ASN 117 109.938 -23.859 1.433 887 HD22 ASN 117 HD22 ASN 117 111.221 -24.007 0.333 888 H GLU 118 HN GLU 118 113.080 -18.590 3.447 889 HA GLU 118 HA GLU 118 113.278 -17.920 0.629 890 HB2 GLU 118 HB2 GLU 118 111.486 -16.299 2.442 891 HB3 GLU 118 HB1 GLU 118 112.255 -15.580 1.030 892 HG2 GLU 118 HG2 GLU 118 111.237 -17.665 -0.226 893 HG3 GLU 118 HG1 GLU 118 110.146 -17.714 1.163 894 H LYS 119 HN LYS 119 114.968 -16.426 0.261 895 HA LYS 119 HA LYS 119 116.936 -16.133 2.314 896 HB2 LYS 119 HB2 LYS 119 116.606 -14.435 -0.185 897 HB3 LYS 119 HB1 LYS 119 118.091 -14.670 0.737 898 HG2 LYS 119 HG2 LYS 119 116.597 -16.972 -0.527 899 HG3 LYS 119 HG1 LYS 119 117.860 -16.085 -1.381 900 HD2 LYS 119 HD2 LYS 119 119.440 -16.609 0.463 901 HD3 LYS 119 HD1 LYS 119 118.185 -17.553 1.256 902 HE2 LYS 119 HE2 LYS 119 118.039 -19.036 -0.700 903 HE3 LYS 119 HE1 LYS 119 119.302 -18.101 -1.499 904 HZ1 LYS 119 HZ1 LYS 119 120.540 -19.740 -0.545 905 HZ2 LYS 119 HZ2 LYS 119 119.498 -19.926 0.784 906 HZ3 LYS 119 HZ3 LYS 119 120.568 -18.607 0.717 907 H LYS 120 HN LYS 120 117.225 -14.550 3.853 908 HA LYS 120 HA LYS 120 115.048 -12.629 4.232 909 HB2 LYS 120 HB2 LYS 120 116.087 -12.126 6.340 910 HB3 LYS 120 HB1 LYS 120 116.192 -13.870 6.113 911 HG2 LYS 120 HG2 LYS 120 118.510 -13.579 5.236 912 HG3 LYS 120 HG1 LYS 120 118.399 -11.856 5.583 913 HD2 LYS 120 HD2 LYS 120 119.458 -12.704 7.503 914 HD3 LYS 120 HD1 LYS 120 117.770 -12.594 7.992 915 HE2 LYS 120 HE2 LYS 120 117.423 -14.937 7.685 916 HE3 LYS 120 HE1 LYS 120 118.948 -15.124 6.819 917 HZ1 LYS 120 HZ1 LYS 120 120.167 -14.915 8.743 918 HZ2 LYS 120 HZ2 LYS 120 118.811 -15.775 9.294 919 HZ3 LYS 120 HZ3 LYS 120 118.935 -14.105 9.581 920 H LEU 121 HN LEU 121 115.183 -10.390 4.056 921 HA LEU 121 HA LEU 121 117.613 -9.344 2.648 922 HB2 LEU 121 HB2 LEU 121 114.816 -8.170 2.663 923 HB3 LEU 121 HB1 LEU 121 116.166 -7.678 1.644 924 HG LEU 121 HG LEU 121 114.850 -10.410 1.594 925 HD11 LEU 121 HD11 LEU 121 113.295 -8.947 0.592 926 HD12 LEU 121 HD12 LEU 121 114.239 -9.537 -0.775 927 HD13 LEU 121 HD13 LEU 121 114.560 -7.938 -0.107 928 HD21 LEU 121 HD21 LEU 121 116.218 -10.468 -0.610 929 HD22 LEU 121 HD22 LEU 121 117.087 -10.716 0.902 930 HD23 LEU 121 HD23 LEU 121 117.146 -9.147 0.098 931 H VAL 122 HN VAL 122 118.854 -7.981 3.891 932 HA VAL 122 HA VAL 122 117.546 -6.696 6.255 933 HB VAL 122 HB VAL 122 120.420 -7.480 5.719 934 HG11 VAL 122 HG11 VAL 122 120.605 -6.600 8.190 935 HG12 VAL 122 HG12 VAL 122 119.207 -5.623 7.747 936 HG13 VAL 122 HG13 VAL 122 120.717 -5.457 6.852 937 HG21 VAL 122 HG21 VAL 122 120.037 -9.209 7.157 938 HG22 VAL 122 HG22 VAL 122 118.341 -8.947 6.761 939 HG23 VAL 122 HG23 VAL 122 119.025 -8.235 8.221 940 H PHE 123 HN PHE 123 117.428 -4.526 6.337 941 HA PHE 123 HA PHE 123 118.898 -2.933 4.271 942 HB2 PHE 123 HB2 PHE 123 116.506 -2.665 4.042 943 HB3 PHE 123 HB1 PHE 123 116.309 -2.440 5.777 944 HD1 PHE 123 HD1 PHE 123 118.169 -0.958 2.881 945 HD2 PHE 123 HD2 PHE 123 116.169 -0.270 6.614 946 HE1 PHE 123 HE1 PHE 123 118.473 1.484 2.589 947 HE2 PHE 123 HE2 PHE 123 116.473 2.174 6.327 948 HZ PHE 123 HZ PHE 123 117.624 3.053 4.314 949 H THR 124 HN THR 124 120.632 -1.793 5.144 950 HA THR 124 HA THR 124 120.331 -0.819 7.958 951 HB THR 124 HB THR 124 121.659 -2.984 7.800 952 HG1 THR 124 HG1 THR 124 123.545 -1.584 8.873 953 HG21 THR 124 HG21 THR 124 123.874 -2.910 6.898 954 HG22 THR 124 HG22 THR 124 123.788 -1.167 6.659 955 HG23 THR 124 HG23 THR 124 122.817 -2.244 5.655 956 H VAL 125 HN VAL 125 121.236 1.123 8.418 957 HA VAL 125 HA VAL 125 122.969 2.426 6.371 958 HB VAL 125 HB VAL 125 121.689 4.438 6.367 959 HG11 VAL 125 HG11 VAL 125 119.442 2.451 6.468 960 HG12 VAL 125 HG12 VAL 125 120.699 2.260 5.246 961 HG13 VAL 125 HG13 VAL 125 119.742 3.740 5.302 962 HG21 VAL 125 HG21 VAL 125 119.574 4.524 7.855 963 HG22 VAL 125 HG22 VAL 125 121.133 4.762 8.647 964 HG23 VAL 125 HG23 VAL 125 120.319 3.201 8.755 965 H GLU 126 HN GLU 126 124.236 4.238 7.362 966 HA GLU 126 HA GLU 126 124.444 3.936 10.343 967 HB2 GLU 126 HB2 GLU 126 126.332 2.833 9.209 968 HB3 GLU 126 HB1 GLU 126 126.697 4.331 8.353 969 HG2 GLU 126 HG2 GLU 126 127.102 5.472 10.496 970 HG3 GLU 126 HG1 GLU 126 126.709 3.991 11.364 971 H ALA 127 HN ALA 127 124.863 5.826 11.519 972 HA ALA 127 HA ALA 127 125.198 8.364 10.026 973 HB1 ALA 127 HB1 ALA 127 123.288 9.422 10.997 974 HB2 ALA 127 HB2 ALA 127 123.013 8.072 12.097 975 HB3 ALA 127 HB3 ALA 127 122.709 7.879 10.371 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 115.402 16.616 -5.200 2 H2 GLU 1 HT2 GLU 1 115.235 16.255 -3.549 3 H3 GLU 1 HT3 GLU 1 114.449 15.301 -4.715 4 HA GLU 1 HA GLU 1 116.973 15.071 -5.542 5 HB2 GLU 1 HB2 GLU 1 116.984 15.317 -2.518 6 HB3 GLU 1 HB1 GLU 1 118.305 14.632 -3.466 7 HG2 GLU 1 HG2 GLU 1 117.209 17.438 -3.815 8 HG3 GLU 1 HG1 GLU 1 118.676 17.037 -2.921 9 H LYS 2 HN LYS 2 117.807 12.814 -5.040 10 HA LYS 2 HA LYS 2 115.540 10.985 -4.896 11 HB2 LYS 2 HB2 LYS 2 118.528 10.485 -5.069 12 HB3 LYS 2 HB1 LYS 2 117.300 9.222 -5.164 13 HG2 LYS 2 HG2 LYS 2 116.320 10.282 -7.143 14 HG3 LYS 2 HG1 LYS 2 117.477 11.609 -7.030 15 HD2 LYS 2 HD2 LYS 2 118.462 10.204 -8.634 16 HD3 LYS 2 HD1 LYS 2 119.283 9.732 -7.146 17 HE2 LYS 2 HE2 LYS 2 117.838 7.811 -6.877 18 HE3 LYS 2 HE1 LYS 2 116.819 8.332 -8.218 19 HZ1 LYS 2 HZ1 LYS 2 118.545 6.560 -8.699 20 HZ2 LYS 2 HZ2 LYS 2 119.704 7.796 -8.573 21 HZ3 LYS 2 HZ3 LYS 2 118.492 7.883 -9.760 22 H VAL 3 HN VAL 3 115.267 9.330 -3.273 23 HA VAL 3 HA VAL 3 116.168 10.223 -0.596 24 HB VAL 3 HB VAL 3 114.151 8.136 -1.473 25 HG11 VAL 3 HG11 VAL 3 115.238 8.925 1.204 26 HG12 VAL 3 HG12 VAL 3 114.752 7.335 0.616 27 HG13 VAL 3 HG13 VAL 3 113.531 8.516 1.078 28 HG21 VAL 3 HG21 VAL 3 112.675 9.937 -0.221 29 HG22 VAL 3 HG22 VAL 3 113.131 10.182 -1.907 30 HG23 VAL 3 HG23 VAL 3 114.014 11.011 -0.624 31 H LYS 4 HN LYS 4 117.671 9.101 0.590 32 HA LYS 4 HA LYS 4 119.127 6.932 -0.678 33 HB2 LYS 4 HB2 LYS 4 119.254 8.145 2.091 34 HB3 LYS 4 HB1 LYS 4 120.275 6.793 1.605 35 HG2 LYS 4 HG2 LYS 4 121.096 8.182 -0.317 36 HG3 LYS 4 HG1 LYS 4 120.172 9.541 0.325 37 HD2 LYS 4 HD2 LYS 4 121.442 9.427 2.432 38 HD3 LYS 4 HD1 LYS 4 122.354 8.050 1.810 39 HE2 LYS 4 HE2 LYS 4 123.240 9.435 -0.015 40 HE3 LYS 4 HE1 LYS 4 122.305 10.815 0.561 41 HZ1 LYS 4 HZ1 LYS 4 124.556 9.446 1.917 42 HZ2 LYS 4 HZ2 LYS 4 123.514 10.514 2.730 43 HZ3 LYS 4 HZ3 LYS 4 124.460 11.069 1.432 44 H GLY 5 HN GLY 5 118.635 4.796 -0.558 45 HA2 GLY 5 HA2 GLY 5 117.682 3.433 1.729 46 HA3 GLY 5 HA1 GLY 5 116.271 3.884 0.774 47 H CYS 6 HN CYS 6 116.850 1.207 1.145 48 HA CYS 6 HA CYS 6 118.104 0.342 -1.422 49 HB2 CYS 6 HB2 CYS 6 118.780 -0.581 0.919 50 HB3 CYS 6 HB1 CYS 6 117.290 -1.515 0.805 51 H ASP 7 HN ASP 7 116.832 -0.512 -2.994 52 HA ASP 7 HA ASP 7 113.951 -1.004 -2.329 53 HB2 ASP 7 HB2 ASP 7 114.541 0.818 -4.010 54 HB3 ASP 7 HB1 ASP 7 115.103 -0.473 -5.075 55 H PHE 8 HN PHE 8 113.680 -3.175 -2.039 56 HA PHE 8 HA PHE 8 115.316 -5.093 -3.570 57 HB2 PHE 8 HB2 PHE 8 113.149 -5.468 -1.481 58 HB3 PHE 8 HB1 PHE 8 114.031 -6.794 -2.236 59 HD1 PHE 8 HD2 PHE 8 116.553 -6.898 -1.977 60 HD2 PHE 8 HD1 PHE 8 114.091 -4.213 0.300 61 HE1 PHE 8 HE2 PHE 8 118.390 -6.603 -0.337 62 HE2 PHE 8 HE1 PHE 8 115.928 -3.919 1.940 63 HZ PHE 8 HZ PHE 8 118.077 -5.114 1.621 64 H THR 9 HN THR 9 112.655 -3.309 -4.241 65 HA THR 9 HA THR 9 111.268 -5.482 -5.740 66 HB THR 9 HB THR 9 110.269 -2.661 -5.375 67 HG1 THR 9 HG1 THR 9 110.846 -3.803 -3.357 68 HG21 THR 9 HG21 THR 9 108.072 -3.893 -5.517 69 HG22 THR 9 HG22 THR 9 108.987 -5.352 -5.896 70 HG23 THR 9 HG23 THR 9 109.045 -3.966 -6.986 71 H THR 10 HN THR 10 113.327 -2.740 -6.214 72 HA THR 10 HA THR 10 113.158 -3.166 -9.127 73 HB THR 10 HB THR 10 112.690 -0.406 -7.974 74 HG1 THR 10 HG1 THR 10 110.819 -1.383 -7.593 75 HG21 THR 10 HG21 THR 10 112.433 0.308 -10.183 76 HG22 THR 10 HG22 THR 10 112.098 -1.319 -10.774 77 HG23 THR 10 HG23 THR 10 113.741 -0.866 -10.328 78 H SER 11 HN SER 11 115.252 -3.233 -9.809 79 HA SER 11 HA SER 11 117.447 -2.389 -8.193 80 HB2 SER 11 HB2 SER 11 118.820 -2.838 -10.152 81 HB3 SER 11 HB1 SER 11 117.574 -4.077 -10.041 82 HG SER 11 HG SER 11 117.263 -3.457 -12.048 83 H GLU 12 HN GLU 12 115.498 -0.764 -10.598 84 HA GLU 12 HA GLU 12 117.219 1.672 -10.335 85 HB2 GLU 12 HB2 GLU 12 115.166 0.926 -12.448 86 HB3 GLU 12 HB1 GLU 12 116.084 2.432 -12.414 87 HG2 GLU 12 HG2 GLU 12 117.471 -0.246 -12.390 88 HG3 GLU 12 HG1 GLU 12 116.996 0.528 -13.902 89 H SER 13 HN SER 13 116.040 1.832 -8.158 90 HA SER 13 HA SER 13 113.212 2.394 -8.143 91 HB2 SER 13 HB2 SER 13 113.727 3.307 -5.837 92 HB3 SER 13 HB1 SER 13 114.234 1.645 -6.107 93 HG SER 13 HG SER 13 116.300 2.278 -6.222 94 H THR 14 HN THR 14 112.394 4.127 -9.162 95 HA THR 14 HA THR 14 113.895 6.536 -9.713 96 HB THR 14 HB THR 14 112.017 5.875 -11.147 97 HG1 THR 14 HG1 THR 14 112.468 8.221 -10.302 98 HG21 THR 14 HG21 THR 14 110.760 4.905 -9.083 99 HG22 THR 14 HG22 THR 14 109.810 5.625 -10.382 100 HG23 THR 14 HG23 THR 14 110.120 6.538 -8.905 101 H ILE 15 HN ILE 15 112.888 5.349 -6.864 102 HA ILE 15 HA ILE 15 112.375 8.069 -5.721 103 HB ILE 15 HB ILE 15 111.147 6.688 -3.891 104 HG12 ILE 15 HG12 ILE 15 110.921 4.780 -6.237 105 HG13 ILE 15 HG11 ILE 15 111.968 4.499 -4.848 106 HG21 ILE 15 HG21 ILE 15 110.148 7.259 -6.678 107 HG22 ILE 15 HG22 ILE 15 109.849 8.165 -5.195 108 HG23 ILE 15 HG23 ILE 15 109.074 6.600 -5.445 109 HD11 ILE 15 HD11 ILE 15 109.927 4.744 -3.373 110 HD12 ILE 15 HD12 ILE 15 109.897 3.332 -4.431 111 HD13 ILE 15 HD13 ILE 15 108.951 4.762 -4.842 112 H PHE 16 HN PHE 16 113.973 4.938 -5.326 113 HA PHE 16 HA PHE 16 115.376 6.023 -2.922 114 HB2 PHE 16 HB2 PHE 16 115.138 3.175 -3.930 115 HB3 PHE 16 HB1 PHE 16 116.045 3.667 -2.504 116 HD1 PHE 16 HD2 PHE 16 114.759 4.978 -0.672 117 HD2 PHE 16 HD1 PHE 16 112.842 2.709 -3.778 118 HE1 PHE 16 HE2 PHE 16 112.678 4.892 0.672 119 HE2 PHE 16 HE1 PHE 16 110.760 2.636 -2.441 120 HZ PHE 16 HZ PHE 16 110.676 3.721 -0.209 121 H SER 17 HN SER 17 117.632 6.092 -2.873 122 HA SER 17 HA SER 17 118.960 6.460 -5.406 123 HB2 SER 17 HB2 SER 17 120.222 6.175 -2.670 124 HB3 SER 17 HB1 SER 17 120.934 6.942 -4.086 125 HG SER 17 HG SER 17 118.878 8.275 -3.953 126 H LYS 18 HN LYS 18 118.657 3.703 -3.241 127 HA LYS 18 HA LYS 18 120.550 2.221 -5.045 128 HB2 LYS 18 HB2 LYS 18 120.085 1.645 -2.109 129 HB3 LYS 18 HB1 LYS 18 121.310 0.939 -3.161 130 HG2 LYS 18 HG2 LYS 18 121.168 3.900 -2.568 131 HG3 LYS 18 HG1 LYS 18 122.154 2.780 -1.632 132 HD2 LYS 18 HD2 LYS 18 123.319 2.101 -3.720 133 HD3 LYS 18 HD1 LYS 18 122.380 3.293 -4.613 134 HE2 LYS 18 HE2 LYS 18 123.296 5.096 -3.225 135 HE3 LYS 18 HE1 LYS 18 124.240 3.916 -2.315 136 HZ1 LYS 18 HZ1 LYS 18 125.809 4.243 -3.835 137 HZ2 LYS 18 HZ2 LYS 18 124.756 5.067 -4.883 138 HZ3 LYS 18 HZ3 LYS 18 124.833 3.370 -4.914 139 H GLY 19 HN GLY 19 119.811 0.356 -5.911 140 HA2 GLY 19 HA2 GLY 19 117.402 -0.921 -4.723 141 HA3 GLY 19 HA1 GLY 19 117.332 -0.437 -6.419 142 H TYR 20 HN TYR 20 117.118 -3.148 -5.506 143 HA TYR 20 HA TYR 20 119.626 -4.306 -6.666 144 HB2 TYR 20 HB2 TYR 20 117.898 -5.250 -4.384 145 HB3 TYR 20 HB1 TYR 20 118.915 -6.376 -5.281 146 HD1 TYR 20 HD1 TYR 20 119.108 -3.029 -3.597 147 HD2 TYR 20 HD2 TYR 20 121.119 -6.687 -4.596 148 HE1 TYR 20 HE1 TYR 20 121.074 -2.311 -2.268 149 HE2 TYR 20 HE2 TYR 20 123.088 -5.971 -3.269 150 HH TYR 20 HH TYR 20 123.834 -3.112 -2.486 151 H SER 21 HN SER 21 119.321 -6.165 -8.024 152 HA SER 21 HA SER 21 116.603 -6.262 -9.244 153 HB2 SER 21 HB2 SER 21 118.798 -5.891 -10.595 154 HB3 SER 21 HB1 SER 21 119.075 -7.607 -10.338 155 HG SER 21 HG SER 21 117.396 -8.080 -11.581 156 H ILE 22 HN ILE 22 115.791 -8.472 -9.853 157 HA ILE 22 HA ILE 22 115.705 -10.225 -7.638 158 HB ILE 22 HB ILE 22 114.766 -11.895 -9.228 159 HG12 ILE 22 HG12 ILE 22 115.180 -9.854 -11.408 160 HG13 ILE 22 HG11 ILE 22 116.399 -11.085 -11.096 161 HG21 ILE 22 HG21 ILE 22 113.811 -9.046 -9.646 162 HG22 ILE 22 HG22 ILE 22 113.331 -10.112 -8.325 163 HG23 ILE 22 HG23 ILE 22 112.868 -10.498 -9.982 164 HD11 ILE 22 HD11 ILE 22 114.634 -11.674 -12.849 165 HD12 ILE 22 HD12 ILE 22 113.491 -11.782 -11.511 166 HD13 ILE 22 HD13 ILE 22 114.887 -12.859 -11.566 167 H ASN 23 HN ASN 23 118.152 -9.836 -10.045 168 HA ASN 23 HA ASN 23 119.306 -12.510 -9.601 169 HB2 ASN 23 HB2 ASN 23 119.507 -11.492 -11.823 170 HB3 ASN 23 HB1 ASN 23 120.345 -10.104 -11.129 171 HD21 ASN 23 HD21 ASN 23 121.655 -11.653 -13.099 172 HD22 ASN 23 HD22 ASN 23 122.926 -12.516 -12.378 173 H GLU 24 HN GLU 24 120.392 -9.129 -9.067 174 HA GLU 24 HA GLU 24 122.729 -9.586 -7.667 175 HB2 GLU 24 HB2 GLU 24 120.586 -7.525 -7.061 176 HB3 GLU 24 HB1 GLU 24 122.224 -7.478 -6.408 177 HG2 GLU 24 HG2 GLU 24 123.144 -7.397 -8.691 178 HG3 GLU 24 HG1 GLU 24 121.511 -7.456 -9.354 179 H ILE 25 HN ILE 25 119.415 -9.764 -6.336 180 HA ILE 25 HA ILE 25 120.202 -10.194 -3.624 181 HB ILE 25 HB ILE 25 117.944 -11.206 -3.347 182 HG12 ILE 25 HG12 ILE 25 117.661 -10.750 -6.323 183 HG13 ILE 25 HG11 ILE 25 117.979 -12.335 -5.620 184 HG21 ILE 25 HG21 ILE 25 118.178 -8.674 -4.990 185 HG22 ILE 25 HG22 ILE 25 118.085 -8.808 -3.235 186 HG23 ILE 25 HG23 ILE 25 116.677 -9.193 -4.225 187 HD11 ILE 25 HD11 ILE 25 115.915 -11.940 -4.162 188 HD12 ILE 25 HD12 ILE 25 115.607 -12.213 -5.877 189 HD13 ILE 25 HD13 ILE 25 115.549 -10.577 -5.221 190 H SER 26 HN SER 26 120.181 -12.304 -6.399 191 HA SER 26 HA SER 26 120.569 -14.715 -4.719 192 HB2 SER 26 HB2 SER 26 119.308 -15.259 -6.621 193 HB3 SER 26 HB1 SER 26 120.243 -14.194 -7.668 194 HG SER 26 HG SER 26 121.194 -16.572 -6.426 195 H ASN 27 HN ASN 27 122.378 -14.725 -7.619 196 HA ASN 27 HA ASN 27 124.896 -14.813 -6.100 197 HB2 ASN 27 HB2 ASN 27 124.261 -15.147 -9.046 198 HB3 ASN 27 HB1 ASN 27 125.882 -15.295 -8.364 199 HD21 ASN 27 HD21 ASN 27 124.418 -17.489 -9.646 200 HD22 ASN 27 HD22 ASN 27 124.171 -18.677 -8.460 201 H LYS 28 HN LYS 28 126.098 -12.994 -5.754 202 HA LYS 28 HA LYS 28 126.076 -10.861 -7.799 203 HB2 LYS 28 HB2 LYS 28 124.375 -10.169 -6.193 204 HB3 LYS 28 HB1 LYS 28 125.490 -10.447 -4.856 205 HG2 LYS 28 HG2 LYS 28 125.378 -8.050 -5.424 206 HG3 LYS 28 HG1 LYS 28 126.988 -8.692 -5.735 207 HD2 LYS 28 HD2 LYS 28 126.659 -8.726 -8.071 208 HD3 LYS 28 HD1 LYS 28 124.903 -8.621 -7.912 209 HE2 LYS 28 HE2 LYS 28 125.102 -6.326 -7.074 210 HE3 LYS 28 HE1 LYS 28 126.861 -6.432 -7.150 211 HZ1 LYS 28 HZ1 LYS 28 125.845 -5.317 -9.090 212 HZ2 LYS 28 HZ2 LYS 28 125.066 -6.773 -9.490 213 HZ3 LYS 28 HZ3 LYS 28 126.762 -6.680 -9.509 214 H SER 29 HN SER 29 127.330 -11.137 -4.462 215 HA SER 29 HA SER 29 130.069 -11.509 -5.408 216 HB2 SER 29 HB2 SER 29 129.721 -9.064 -5.733 217 HB3 SER 29 HB1 SER 29 129.324 -8.920 -4.022 218 HG SER 29 HG SER 29 131.469 -8.509 -4.150 219 H SER 30 HN SER 30 128.857 -9.849 -2.513 220 HA SER 30 HA SER 30 130.318 -11.616 -0.747 221 HB2 SER 30 HB2 SER 30 129.565 -10.248 0.971 222 HB3 SER 30 HB1 SER 30 129.400 -9.151 -0.398 223 HG SER 30 HG SER 30 127.434 -10.635 0.975 224 H ASN 31 HN ASN 31 128.545 -12.268 1.282 225 HA ASN 31 HA ASN 31 127.322 -14.660 0.250 226 HB2 ASN 31 HB2 ASN 31 127.036 -13.245 2.916 227 HB3 ASN 31 HB1 ASN 31 126.336 -14.825 2.562 228 HD21 ASN 31 HD21 ASN 31 128.521 -14.161 4.516 229 HD22 ASN 31 HD22 ASN 31 129.849 -15.107 4.047 230 H ASN 32 HN ASN 32 126.330 -12.239 -1.057 231 HA ASN 32 HA ASN 32 123.729 -11.540 -0.087 232 HB2 ASN 32 HB2 ASN 32 124.976 -11.405 -2.841 233 HB3 ASN 32 HB1 ASN 32 123.362 -10.786 -2.487 234 HD21 ASN 32 HD21 ASN 32 125.480 -9.036 -3.320 235 HD22 ASN 32 HD22 ASN 32 125.868 -8.017 -2.020 236 H GLN 33 HN GLN 33 124.636 -14.525 -0.733 237 HA GLN 33 HA GLN 33 122.336 -15.292 -2.438 238 HB2 GLN 33 HB2 GLN 33 123.324 -17.554 -2.356 239 HB3 GLN 33 HB1 GLN 33 124.519 -16.363 -2.870 240 HG2 GLN 33 HG2 GLN 33 125.373 -16.238 -0.544 241 HG3 GLN 33 HG1 GLN 33 124.209 -17.475 -0.065 242 HE21 GLN 33 HE21 GLN 33 127.233 -17.622 -0.104 243 HE22 GLN 33 HE22 GLN 33 127.597 -18.959 -1.083 244 H GLN 34 HN GLN 34 122.960 -14.773 0.820 245 HA GLN 34 HA GLN 34 120.602 -16.453 1.553 246 HB2 GLN 34 HB2 GLN 34 121.709 -17.143 3.632 247 HB3 GLN 34 HB1 GLN 34 122.658 -17.662 2.238 248 HG2 GLN 34 HG2 GLN 34 124.106 -15.670 2.493 249 HG3 GLN 34 HG1 GLN 34 123.176 -15.186 3.912 250 HE21 GLN 34 HE21 GLN 34 124.933 -15.482 5.428 251 HE22 GLN 34 HE22 GLN 34 125.556 -17.016 5.797 252 H ASP 35 HN ASP 35 122.706 -13.708 2.270 253 HA ASP 35 HA ASP 35 120.394 -12.427 3.662 254 HB2 ASP 35 HB2 ASP 35 123.272 -12.473 4.622 255 HB3 ASP 35 HB1 ASP 35 122.003 -11.460 5.311 256 H ILE 36 HN ILE 36 119.930 -10.652 2.410 257 HA ILE 36 HA ILE 36 122.136 -9.361 0.910 258 HB ILE 36 HB ILE 36 119.253 -8.473 0.852 259 HG12 ILE 36 HG12 ILE 36 119.138 -10.897 0.596 260 HG13 ILE 36 HG11 ILE 36 118.902 -10.151 -0.984 261 HG21 ILE 36 HG21 ILE 36 120.865 -7.135 -0.384 262 HG22 ILE 36 HG22 ILE 36 119.894 -8.043 -1.543 263 HG23 ILE 36 HG23 ILE 36 121.529 -8.577 -1.154 264 HD11 ILE 36 HD11 ILE 36 121.333 -10.497 -1.452 265 HD12 ILE 36 HD12 ILE 36 120.441 -12.001 -1.215 266 HD13 ILE 36 HD13 ILE 36 121.462 -11.373 0.075 267 H VAL 37 HN VAL 37 123.179 -7.691 1.892 268 HA VAL 37 HA VAL 37 121.658 -6.100 3.927 269 HB VAL 37 HB VAL 37 124.642 -6.554 3.685 270 HG11 VAL 37 HG11 VAL 37 124.441 -5.521 6.081 271 HG12 VAL 37 HG12 VAL 37 122.911 -4.875 5.484 272 HG13 VAL 37 HG13 VAL 37 124.423 -4.445 4.685 273 HG21 VAL 37 HG21 VAL 37 123.053 -8.459 4.490 274 HG22 VAL 37 HG22 VAL 37 122.854 -7.465 5.933 275 HG23 VAL 37 HG23 VAL 37 124.453 -8.058 5.484 276 H CYS 38 HN CYS 38 121.235 -4.037 3.369 277 HA CYS 38 HA CYS 38 122.796 -2.833 1.126 278 HB2 CYS 38 HB2 CYS 38 120.173 -1.954 2.386 279 HB3 CYS 38 HB1 CYS 38 120.947 -1.206 0.989 280 H THR 39 HN THR 39 124.604 -1.925 2.117 281 HA THR 39 HA THR 39 124.192 -0.361 4.607 282 HB THR 39 HB THR 39 126.723 -1.161 3.138 283 HG1 THR 39 HG1 THR 39 125.743 -2.015 5.649 284 HG21 THR 39 HG21 THR 39 126.216 0.426 5.652 285 HG22 THR 39 HG22 THR 39 127.248 0.840 4.283 286 HG23 THR 39 HG23 THR 39 127.733 -0.437 5.399 287 H VAL 40 HN VAL 40 123.879 1.784 4.459 288 HA VAL 40 HA VAL 40 125.239 3.282 2.261 289 HB VAL 40 HB VAL 40 123.131 4.610 1.922 290 HG11 VAL 40 HG11 VAL 40 121.936 2.785 0.660 291 HG12 VAL 40 HG12 VAL 40 123.042 1.626 1.397 292 HG13 VAL 40 HG13 VAL 40 123.664 2.876 0.320 293 HG21 VAL 40 HG21 VAL 40 122.130 3.977 4.140 294 HG22 VAL 40 HG22 VAL 40 121.854 2.355 3.501 295 HG23 VAL 40 HG23 VAL 40 121.031 3.739 2.781 296 H LYS 41 HN LYS 41 125.527 5.563 2.793 297 HA LYS 41 HA LYS 41 125.606 5.992 5.732 298 HB2 LYS 41 HB2 LYS 41 127.662 6.404 4.391 299 HB3 LYS 41 HB1 LYS 41 126.802 7.660 3.500 300 HG2 LYS 41 HG2 LYS 41 126.430 8.910 5.578 301 HG3 LYS 41 HG1 LYS 41 127.237 7.641 6.501 302 HD2 LYS 41 HD2 LYS 41 129.317 8.041 5.226 303 HD3 LYS 41 HD1 LYS 41 128.510 9.324 4.323 304 HE2 LYS 41 HE2 LYS 41 129.645 10.482 6.039 305 HE3 LYS 41 HE1 LYS 41 127.993 10.353 6.642 306 HZ1 LYS 41 HZ1 LYS 41 128.566 8.701 8.123 307 HZ2 LYS 41 HZ2 LYS 41 129.940 9.698 8.171 308 HZ3 LYS 41 HZ3 LYS 41 129.963 8.259 7.271 309 H ALA 42 HN ALA 42 124.045 7.197 6.677 310 HA ALA 42 HA ALA 42 122.156 8.688 4.974 311 HB1 ALA 42 HB1 ALA 42 122.102 8.511 7.990 312 HB2 ALA 42 HB2 ALA 42 121.510 7.200 6.970 313 HB3 ALA 42 HB3 ALA 42 120.764 8.791 6.888 314 H HIS 43 HN HIS 43 121.558 10.949 5.575 315 HA HIS 43 HA HIS 43 123.748 12.448 6.927 316 HB2 HIS 43 HB2 HIS 43 123.970 12.364 4.341 317 HB3 HIS 43 HB1 HIS 43 122.580 13.447 4.339 318 HD1 HIS 43 HD1 HIS 43 122.908 15.845 5.247 319 HD2 HIS 43 HD2 HIS 43 126.366 13.516 5.397 320 HE1 HIS 43 HE1 HIS 43 124.819 17.430 5.757 321 HE2 HIS 43 HE2 HIS 43 126.927 16.022 5.851 322 H ALA 44 HN ALA 44 123.051 14.408 7.872 323 HA ALA 44 HA ALA 44 120.410 14.516 8.861 324 HB1 ALA 44 HB1 ALA 44 121.060 17.073 9.141 325 HB2 ALA 44 HB2 ALA 44 122.651 16.493 8.653 326 HB3 ALA 44 HB3 ALA 44 121.873 15.832 10.092 327 H ASN 45 HN ASN 45 121.687 15.620 5.816 328 HA ASN 45 HA ASN 45 119.199 17.155 5.260 329 HB2 ASN 45 HB2 ASN 45 121.387 18.196 4.695 330 HB3 ASN 45 HB1 ASN 45 121.717 16.859 3.593 331 HD21 ASN 45 HD21 ASN 45 121.602 19.455 2.525 332 HD22 ASN 45 HD22 ASN 45 120.194 19.626 1.593 333 H ASP 46 HN ASP 46 120.882 14.215 4.410 334 HA ASP 46 HA ASP 46 119.274 13.670 2.041 335 HB2 ASP 46 HB2 ASP 46 121.065 11.890 3.721 336 HB3 ASP 46 HB1 ASP 46 120.319 11.401 2.203 337 H LEU 47 HN LEU 47 117.380 12.488 1.928 338 HA LEU 47 HA LEU 47 115.956 11.958 4.429 339 HB2 LEU 47 HB2 LEU 47 115.188 11.244 1.579 340 HB3 LEU 47 HB1 LEU 47 114.117 11.237 2.978 341 HG LEU 47 HG LEU 47 115.548 13.677 1.882 342 HD11 LEU 47 HD11 LEU 47 112.768 12.568 1.572 343 HD12 LEU 47 HD12 LEU 47 113.832 13.254 0.344 344 HD13 LEU 47 HD13 LEU 47 113.033 14.311 1.508 345 HD21 LEU 47 HD21 LEU 47 115.258 14.138 4.156 346 HD22 LEU 47 HD22 LEU 47 113.802 13.151 4.269 347 HD23 LEU 47 HD23 LEU 47 113.738 14.729 3.485 348 H ILE 48 HN ILE 48 115.378 9.845 5.202 349 HA ILE 48 HA ILE 48 116.957 7.614 3.959 350 HB ILE 48 HB ILE 48 117.181 6.675 6.231 351 HG12 ILE 48 HG12 ILE 48 115.954 9.287 7.168 352 HG13 ILE 48 HG11 ILE 48 115.082 7.759 7.122 353 HG21 ILE 48 HG21 ILE 48 118.173 9.436 5.599 354 HG22 ILE 48 HG22 ILE 48 119.069 7.920 5.693 355 HG23 ILE 48 HG23 ILE 48 118.539 8.728 7.171 356 HD11 ILE 48 HD11 ILE 48 116.455 6.777 8.767 357 HD12 ILE 48 HD12 ILE 48 116.190 8.418 9.356 358 HD13 ILE 48 HD13 ILE 48 117.711 7.997 8.569 359 H GLY 49 HN GLY 49 115.920 5.650 3.711 360 HA2 GLY 49 HA2 GLY 49 113.551 4.796 5.016 361 HA3 GLY 49 HA1 GLY 49 113.049 5.639 3.549 362 H PHE 50 HN PHE 50 112.302 3.190 3.285 363 HA PHE 50 HA PHE 50 114.051 2.058 1.263 364 HB2 PHE 50 HB2 PHE 50 114.521 -0.068 2.335 365 HB3 PHE 50 HB1 PHE 50 115.127 1.230 3.364 366 HD1 PHE 50 HD1 PHE 50 112.515 -1.336 2.949 367 HD2 PHE 50 HD2 PHE 50 114.048 1.780 5.478 368 HE1 PHE 50 HE1 PHE 50 111.097 -2.150 4.814 369 HE2 PHE 50 HE2 PHE 50 112.630 0.965 7.341 370 HZ PHE 50 HZ PHE 50 111.156 -1.003 7.011 371 H LYS 51 HN LYS 51 113.062 -0.095 0.455 372 HA LYS 51 HA LYS 51 110.175 -0.347 1.050 373 HB2 LYS 51 HB2 LYS 51 110.216 1.339 -0.702 374 HB3 LYS 51 HB1 LYS 51 111.254 0.320 -1.701 375 HG2 LYS 51 HG2 LYS 51 109.494 -1.367 -1.863 376 HG3 LYS 51 HG1 LYS 51 108.462 -0.430 -0.783 377 HD2 LYS 51 HD2 LYS 51 107.691 0.123 -2.956 378 HD3 LYS 51 HD1 LYS 51 108.715 1.483 -2.495 379 HE2 LYS 51 HE2 LYS 51 110.533 0.690 -3.828 380 HE3 LYS 51 HE1 LYS 51 109.767 -0.879 -4.061 381 HZ1 LYS 51 HZ1 LYS 51 107.984 1.085 -4.922 382 HZ2 LYS 51 HZ2 LYS 51 108.785 -0.085 -5.857 383 HZ3 LYS 51 HZ3 LYS 51 109.493 1.439 -5.611 384 H CYS 52 HN CYS 52 109.351 -2.398 0.515 385 HA CYS 52 HA CYS 52 111.304 -4.348 -0.633 386 HB2 CYS 52 HB2 CYS 52 109.320 -4.832 1.621 387 HB3 CYS 52 HB1 CYS 52 110.432 -6.022 0.962 388 HA PRO 53 HA PRO 53 108.177 -5.347 -3.608 389 HB2 PRO 53 HB2 PRO 53 108.187 -8.169 -3.353 390 HB3 PRO 53 HB1 PRO 53 109.177 -7.204 -4.462 391 HG2 PRO 53 HG2 PRO 53 109.882 -8.373 -1.835 392 HG3 PRO 53 HG1 PRO 53 110.891 -8.112 -3.266 393 HD2 PRO 53 HD2 PRO 53 111.107 -6.540 -1.092 394 HD3 PRO 53 HD1 PRO 53 111.299 -5.877 -2.728 395 H SER 54 HN SER 54 105.964 -6.016 -3.741 396 HA SER 54 HA SER 54 104.537 -5.924 -1.224 397 HB2 SER 54 HB2 SER 54 103.713 -6.293 -4.096 398 HB3 SER 54 HB1 SER 54 102.541 -6.443 -2.791 399 HG SER 54 HG SER 54 102.597 -4.313 -3.482 400 H ASN 55 HN ASN 55 105.975 -8.504 -2.911 401 HA ASN 55 HA ASN 55 104.009 -10.495 -1.944 402 HB2 ASN 55 HB2 ASN 55 106.583 -10.810 -3.518 403 HB3 ASN 55 HB1 ASN 55 105.479 -12.125 -3.118 404 HD21 ASN 55 HD21 ASN 55 106.254 -10.271 -5.682 405 HD22 ASN 55 HD22 ASN 55 104.738 -10.117 -6.429 406 H TYR 56 HN TYR 56 106.579 -8.869 -0.616 407 HA TYR 56 HA TYR 56 107.407 -11.212 1.049 408 HB2 TYR 56 HB2 TYR 56 108.790 -8.671 0.259 409 HB3 TYR 56 HB1 TYR 56 109.288 -9.538 1.712 410 HD1 TYR 56 HD1 TYR 56 108.474 -10.197 -1.896 411 HD2 TYR 56 HD2 TYR 56 110.876 -11.230 1.510 412 HE1 TYR 56 HE1 TYR 56 109.759 -11.796 -3.288 413 HE2 TYR 56 HE2 TYR 56 112.162 -12.831 0.119 414 HH TYR 56 HH TYR 56 111.978 -12.871 -3.276 415 H SER 57 HN SER 57 107.839 -10.688 3.392 416 HA SER 57 HA SER 57 105.720 -8.820 4.382 417 HB2 SER 57 HB2 SER 57 105.442 -11.114 5.154 418 HB3 SER 57 HB1 SER 57 107.113 -11.168 5.706 419 HG SER 57 HG SER 57 106.606 -9.964 7.392 420 H VAL 58 HN VAL 58 106.325 -7.058 5.622 421 HA VAL 58 HA VAL 58 109.235 -6.614 5.923 422 HB VAL 58 HB VAL 58 108.725 -4.319 6.241 423 HG11 VAL 58 HG11 VAL 58 107.606 -3.796 4.247 424 HG12 VAL 58 HG12 VAL 58 106.473 -5.137 4.419 425 HG13 VAL 58 HG13 VAL 58 108.147 -5.450 3.960 426 HG21 VAL 58 HG21 VAL 58 106.183 -3.706 6.439 427 HG22 VAL 58 HG22 VAL 58 107.047 -4.245 7.879 428 HG23 VAL 58 HG23 VAL 58 106.006 -5.367 7.001 429 H GLU 59 HN GLU 59 110.211 -7.121 7.770 430 HA GLU 59 HA GLU 59 108.662 -6.987 10.323 431 HB2 GLU 59 HB2 GLU 59 110.649 -9.021 9.337 432 HB3 GLU 59 HB1 GLU 59 110.425 -8.764 11.066 433 HG2 GLU 59 HG2 GLU 59 108.247 -9.564 11.048 434 HG3 GLU 59 HG1 GLU 59 108.001 -9.162 9.346 435 HA PRO 60 HA PRO 60 112.037 -4.100 11.067 436 HB2 PRO 60 HB2 PRO 60 111.301 -3.247 13.532 437 HB3 PRO 60 HB1 PRO 60 110.425 -2.761 12.066 438 HG2 PRO 60 HG2 PRO 60 109.730 -4.837 14.084 439 HG3 PRO 60 HG1 PRO 60 108.682 -3.670 13.261 440 HD2 PRO 60 HD2 PRO 60 108.913 -6.315 12.507 441 HD3 PRO 60 HD1 PRO 60 108.437 -5.006 11.401 442 H HIS 61 HN HIS 61 114.015 -5.023 11.501 443 HA HIS 61 HA HIS 61 114.287 -6.824 13.843 444 HB2 HIS 61 HB2 HIS 61 115.289 -7.273 11.479 445 HB3 HIS 61 HB1 HIS 61 116.515 -6.096 11.948 446 HD1 HIS 61 HD1 HIS 61 117.220 -6.702 14.734 447 HD2 HIS 61 HD2 HIS 61 116.289 -9.775 12.070 448 HE1 HIS 61 HE1 HIS 61 118.245 -8.815 15.688 449 HE2 HIS 61 HE2 HIS 61 117.684 -10.691 14.074 450 H ASP 62 HN ASP 62 115.007 -3.635 12.743 451 HA ASP 62 HA ASP 62 115.738 -2.726 15.377 452 HB2 ASP 62 HB2 ASP 62 117.872 -3.839 14.742 453 HB3 ASP 62 HB1 ASP 62 117.967 -2.799 13.321 454 H CYS 63 HN CYS 63 113.831 -2.021 13.409 455 HA CYS 63 HA CYS 63 114.619 0.171 11.758 456 HB2 CYS 63 HB2 CYS 63 111.937 -0.544 12.968 457 HB3 CYS 63 HB1 CYS 63 112.165 0.723 11.766 458 H PHE 64 HN PHE 64 112.645 2.169 12.646 459 HA PHE 64 HA PHE 64 114.219 3.252 14.942 460 HB2 PHE 64 HB2 PHE 64 113.263 5.483 14.087 461 HB3 PHE 64 HB1 PHE 64 114.531 4.718 13.135 462 HD1 PHE 64 HD2 PHE 64 113.886 3.304 11.131 463 HD2 PHE 64 HD1 PHE 64 111.107 5.865 13.174 464 HE1 PHE 64 HE2 PHE 64 112.379 3.239 9.162 465 HE2 PHE 64 HE1 PHE 64 109.601 5.801 11.205 466 HZ PHE 64 HZ PHE 64 110.237 4.489 9.198 467 H VAL 65 HN VAL 65 110.850 3.525 13.646 468 HA VAL 65 HA VAL 65 109.664 4.651 15.904 469 HB VAL 65 HB VAL 65 108.595 2.517 14.041 470 HG11 VAL 65 HG11 VAL 65 106.337 3.287 15.057 471 HG12 VAL 65 HG12 VAL 65 107.304 3.862 16.415 472 HG13 VAL 65 HG13 VAL 65 107.309 2.151 15.993 473 HG21 VAL 65 HG21 VAL 65 109.037 4.875 13.222 474 HG22 VAL 65 HG22 VAL 65 107.841 5.434 14.391 475 HG23 VAL 65 HG23 VAL 65 107.356 4.358 13.081 476 H SER 66 HN SER 66 109.899 1.129 15.334 477 HA SER 66 HA SER 66 110.607 0.678 18.138 478 HB2 SER 66 HB2 SER 66 108.116 0.843 18.216 479 HB3 SER 66 HB1 SER 66 108.019 -0.462 17.037 480 HG SER 66 HG SER 66 109.500 -1.529 18.723 481 H ALA 67 HN ALA 67 111.900 -1.157 18.232 482 HA ALA 67 HA ALA 67 111.532 -3.400 16.432 483 HB1 ALA 67 HB1 ALA 67 113.860 -1.552 15.844 484 HB2 ALA 67 HB2 ALA 67 112.429 -1.727 14.833 485 HB3 ALA 67 HB3 ALA 67 113.525 -3.089 15.045 486 H PHE 68 HN PHE 68 113.788 -4.690 16.422 487 HA PHE 68 HA PHE 68 114.528 -4.934 19.277 488 HB2 PHE 68 HB2 PHE 68 115.471 -6.724 17.034 489 HB3 PHE 68 HB1 PHE 68 115.326 -7.108 18.748 490 HD1 PHE 68 HD1 PHE 68 113.283 -6.148 15.767 491 HD2 PHE 68 HD2 PHE 68 113.367 -8.123 19.579 492 HE1 PHE 68 HE1 PHE 68 110.986 -7.000 15.376 493 HE2 PHE 68 HE2 PHE 68 111.070 -8.972 19.188 494 HZ PHE 68 HZ PHE 68 109.880 -8.409 17.079 495 H ASN 69 HN ASN 69 116.677 -4.635 20.000 496 HA ASN 69 HA ASN 69 118.364 -3.009 18.225 497 HB2 ASN 69 HB2 ASN 69 118.792 -3.927 21.084 498 HB3 ASN 69 HB1 ASN 69 119.810 -2.772 20.223 499 HD21 ASN 69 HD21 ASN 69 117.564 -2.710 22.539 500 HD22 ASN 69 HD22 ASN 69 116.733 -1.285 22.148 501 H LEU 70 HN LEU 70 120.923 -3.689 18.916 502 HA LEU 70 HA LEU 70 121.419 -5.999 17.274 503 HB2 LEU 70 HB2 LEU 70 123.143 -4.289 19.068 504 HB3 LEU 70 HB1 LEU 70 123.796 -5.732 18.290 505 HG LEU 70 HG LEU 70 123.003 -4.826 16.084 506 HD11 LEU 70 HD11 LEU 70 122.613 -2.257 16.188 507 HD12 LEU 70 HD12 LEU 70 122.238 -2.536 17.888 508 HD13 LEU 70 HD13 LEU 70 121.277 -3.318 16.632 509 HD21 LEU 70 HD21 LEU 70 124.859 -2.977 17.619 510 HD22 LEU 70 HD22 LEU 70 124.806 -3.184 15.868 511 HD23 LEU 70 HD23 LEU 70 125.344 -4.512 16.897 512 H SER 71 HN SER 71 120.580 -5.641 20.566 513 HA SER 71 HA SER 71 121.790 -8.214 21.384 514 HB2 SER 71 HB2 SER 71 120.908 -7.704 23.588 515 HB3 SER 71 HB1 SER 71 121.676 -6.249 22.956 516 HG SER 71 HG SER 71 119.469 -5.741 22.161 517 H GLY 72 HN GLY 72 119.024 -7.127 19.815 518 HA2 GLY 72 HA2 GLY 72 117.231 -8.445 19.002 519 HA3 GLY 72 HA1 GLY 72 117.758 -9.759 20.056 520 H LYS 73 HN LYS 73 117.395 -6.597 21.437 521 HA LYS 73 HA LYS 73 114.966 -7.568 22.886 522 HB2 LYS 73 HB2 LYS 73 116.909 -5.365 23.657 523 HB3 LYS 73 HB1 LYS 73 115.594 -5.992 24.649 524 HG2 LYS 73 HG2 LYS 73 117.794 -7.783 23.616 525 HG3 LYS 73 HG1 LYS 73 117.946 -6.910 25.141 526 HD2 LYS 73 HD2 LYS 73 115.790 -7.956 25.886 527 HD3 LYS 73 HD1 LYS 73 115.801 -8.928 24.417 528 HE2 LYS 73 HE2 LYS 73 118.036 -8.914 26.454 529 HE3 LYS 73 HE1 LYS 73 116.762 -10.131 26.381 530 HZ1 LYS 73 HZ1 LYS 73 118.306 -11.135 25.087 531 HZ2 LYS 73 HZ2 LYS 73 119.009 -9.677 24.573 532 HZ3 LYS 73 HZ3 LYS 73 117.551 -10.211 23.883 533 H ASN 74 HN ASN 74 113.090 -6.352 22.803 534 HA ASN 74 HA ASN 74 112.789 -4.464 20.646 535 HB2 ASN 74 HB2 ASN 74 110.999 -5.979 21.753 536 HB3 ASN 74 HB1 ASN 74 110.857 -4.682 22.942 537 HD21 ASN 74 HD21 ASN 74 108.758 -5.417 21.024 538 HD22 ASN 74 HD22 ASN 74 108.513 -4.071 20.021 539 H GLU 75 HN GLU 75 112.870 -2.245 20.657 540 HA GLU 75 HA GLU 75 112.838 -0.747 23.187 541 HB2 GLU 75 HB2 GLU 75 115.204 -1.488 22.974 542 HB3 GLU 75 HB1 GLU 75 115.284 -0.696 21.399 543 HG2 GLU 75 HG2 GLU 75 114.943 1.469 22.369 544 HG3 GLU 75 HG1 GLU 75 114.526 0.771 23.935 545 H ASN 76 HN ASN 76 113.003 1.659 22.712 546 HA ASN 76 HA ASN 76 111.692 2.224 20.083 547 HB2 ASN 76 HB2 ASN 76 111.542 3.500 22.793 548 HB3 ASN 76 HB1 ASN 76 111.189 4.464 21.366 549 HD21 ASN 76 HD21 ASN 76 108.999 4.449 20.850 550 HD22 ASN 76 HD22 ASN 76 107.939 3.150 21.128 551 H LEU 77 HN LEU 77 112.694 3.605 18.639 552 HA LEU 77 HA LEU 77 115.407 4.549 19.384 553 HB2 LEU 77 HB2 LEU 77 114.799 3.173 17.241 554 HB3 LEU 77 HB1 LEU 77 114.229 4.722 16.626 555 HG LEU 77 HG LEU 77 116.486 5.697 17.190 556 HD11 LEU 77 HD11 LEU 77 116.897 2.852 18.032 557 HD12 LEU 77 HD12 LEU 77 117.541 4.332 18.738 558 HD13 LEU 77 HD13 LEU 77 118.247 3.683 17.265 559 HD21 LEU 77 HD21 LEU 77 116.475 3.334 15.283 560 HD22 LEU 77 HD22 LEU 77 117.614 4.679 15.247 561 HD23 LEU 77 HD23 LEU 77 115.911 4.960 14.901 562 H GLU 78 HN GLU 78 112.256 5.768 19.109 563 HA GLU 78 HA GLU 78 112.716 8.344 17.988 564 HB2 GLU 78 HB2 GLU 78 110.735 8.986 19.557 565 HB3 GLU 78 HB1 GLU 78 110.451 7.806 18.278 566 HG2 GLU 78 HG2 GLU 78 110.622 5.975 19.811 567 HG3 GLU 78 HG1 GLU 78 111.217 7.024 21.101 568 H ASN 79 HN ASN 79 112.951 7.228 21.375 569 HA ASN 79 HA ASN 79 113.676 9.792 22.446 570 HB2 ASN 79 HB2 ASN 79 114.059 6.950 23.385 571 HB3 ASN 79 HB1 ASN 79 114.742 8.304 24.288 572 HD21 ASN 79 HD21 ASN 79 112.681 6.693 25.433 573 HD22 ASN 79 HD22 ASN 79 111.271 7.630 25.565 574 H LYS 80 HN LYS 80 115.405 7.421 20.621 575 HA LYS 80 HA LYS 80 118.063 8.365 21.413 576 HB2 LYS 80 HB2 LYS 80 117.892 6.058 20.734 577 HB3 LYS 80 HB1 LYS 80 117.096 6.507 19.230 578 HG2 LYS 80 HG2 LYS 80 119.485 5.964 18.868 579 HG3 LYS 80 HG1 LYS 80 119.136 7.638 18.454 580 HD2 LYS 80 HD2 LYS 80 120.104 8.448 20.480 581 HD3 LYS 80 HD1 LYS 80 120.136 6.834 21.194 582 HE2 LYS 80 HE2 LYS 80 122.381 7.380 20.469 583 HE3 LYS 80 HE1 LYS 80 121.742 6.150 19.379 584 HZ1 LYS 80 HZ1 LYS 80 121.200 8.887 18.606 585 HZ2 LYS 80 HZ2 LYS 80 121.701 7.567 17.661 586 HZ3 LYS 80 HZ3 LYS 80 122.838 8.447 18.567 587 H LEU 81 HN LEU 81 116.008 8.591 18.506 588 HA LEU 81 HA LEU 81 117.536 11.046 17.739 589 HB2 LEU 81 HB2 LEU 81 118.069 9.099 16.263 590 HB3 LEU 81 HB1 LEU 81 116.358 8.984 15.856 591 HG LEU 81 HG LEU 81 116.456 11.352 15.028 592 HD11 LEU 81 HD11 LEU 81 119.316 10.971 15.857 593 HD12 LEU 81 HD12 LEU 81 118.273 12.376 16.072 594 HD13 LEU 81 HD13 LEU 81 118.949 12.015 14.486 595 HD21 LEU 81 HD21 LEU 81 118.587 9.807 13.583 596 HD22 LEU 81 HD22 LEU 81 117.220 10.706 12.926 597 HD23 LEU 81 HD23 LEU 81 116.961 9.132 13.672 598 H LYS 82 HN LYS 82 116.219 12.816 17.506 599 HA LYS 82 HA LYS 82 113.352 12.540 17.909 600 HB2 LYS 82 HB2 LYS 82 114.851 14.995 16.948 601 HB3 LYS 82 HB1 LYS 82 113.295 14.946 17.776 602 HG2 LYS 82 HG2 LYS 82 115.862 13.932 19.016 603 HG3 LYS 82 HG1 LYS 82 115.252 15.567 19.258 604 HD2 LYS 82 HD2 LYS 82 113.131 14.611 20.144 605 HD3 LYS 82 HD1 LYS 82 113.813 12.995 19.980 606 HE2 LYS 82 HE2 LYS 82 115.630 13.571 21.516 607 HE3 LYS 82 HE1 LYS 82 114.990 15.206 21.674 608 HZ1 LYS 82 HZ1 LYS 82 114.343 13.144 23.275 609 HZ2 LYS 82 HZ2 LYS 82 113.059 13.121 22.162 610 HZ3 LYS 82 HZ3 LYS 82 113.388 14.529 23.054 611 H LEU 83 HN LEU 83 112.815 11.147 16.100 612 HA LEU 83 HA LEU 83 113.218 12.121 13.375 613 HB2 LEU 83 HB2 LEU 83 111.584 9.830 14.505 614 HB3 LEU 83 HB1 LEU 83 111.754 10.157 12.783 615 HG LEU 83 HG LEU 83 114.113 9.724 14.636 616 HD11 LEU 83 HD11 LEU 83 112.886 7.660 14.617 617 HD12 LEU 83 HD12 LEU 83 114.215 7.468 13.470 618 HD13 LEU 83 HD13 LEU 83 112.582 7.786 12.884 619 HD21 LEU 83 HD21 LEU 83 113.719 10.124 11.683 620 HD22 LEU 83 HD22 LEU 83 115.054 9.117 12.237 621 HD23 LEU 83 HD23 LEU 83 114.952 10.800 12.746 622 H THR 84 HN THR 84 111.792 13.276 12.155 623 HA THR 84 HA THR 84 109.058 13.766 13.291 624 HB THR 84 HB THR 84 109.187 16.075 12.525 625 HG1 THR 84 HG1 THR 84 111.880 15.886 11.914 626 HG21 THR 84 HG21 THR 84 111.758 15.437 13.987 627 HG22 THR 84 HG22 THR 84 110.173 15.417 14.762 628 HG23 THR 84 HG23 THR 84 110.804 16.918 14.087 629 H ASN 85 HN ASN 85 107.468 14.398 11.583 630 HA ASN 85 HA ASN 85 106.388 13.888 9.556 631 HB2 ASN 85 HB2 ASN 85 109.210 14.396 8.581 632 HB3 ASN 85 HB1 ASN 85 107.828 14.188 7.509 633 HD21 ASN 85 HD21 ASN 85 109.321 16.660 7.646 634 HD22 ASN 85 HD22 ASN 85 108.290 17.854 8.271 635 H ILE 86 HN ILE 86 106.874 11.632 10.982 636 HA ILE 86 HA ILE 86 108.394 9.681 9.435 637 HB ILE 86 HB ILE 86 106.484 9.386 11.770 638 HG12 ILE 86 HG12 ILE 86 109.504 9.140 11.657 639 HG13 ILE 86 HG11 ILE 86 108.672 10.630 12.103 640 HG21 ILE 86 HG21 ILE 86 108.057 7.401 10.160 641 HG22 ILE 86 HG22 ILE 86 106.438 7.256 10.843 642 HG23 ILE 86 HG23 ILE 86 107.847 7.130 11.891 643 HD11 ILE 86 HD11 ILE 86 108.635 7.974 13.545 644 HD12 ILE 86 HD12 ILE 86 107.435 9.227 13.860 645 HD13 ILE 86 HD13 ILE 86 109.142 9.544 14.167 646 H ILE 87 HN ILE 87 107.628 8.393 7.831 647 HA ILE 87 HA ILE 87 104.664 8.357 7.343 648 HB ILE 87 HB ILE 87 106.913 8.170 5.311 649 HG12 ILE 87 HG12 ILE 87 106.735 10.444 6.183 650 HG13 ILE 87 HG11 ILE 87 106.053 10.393 4.558 651 HG21 ILE 87 HG21 ILE 87 103.898 8.161 5.068 652 HG22 ILE 87 HG22 ILE 87 105.028 6.919 4.526 653 HG23 ILE 87 HG23 ILE 87 104.970 8.478 3.703 654 HD11 ILE 87 HD11 ILE 87 104.640 10.641 7.194 655 HD12 ILE 87 HD12 ILE 87 103.795 9.918 5.828 656 HD13 ILE 87 HD13 ILE 87 104.404 11.568 5.714 657 H MET 88 HN MET 88 103.841 6.322 7.692 658 HA MET 88 HA MET 88 105.643 3.988 7.110 659 HB2 MET 88 HB2 MET 88 103.504 4.193 9.253 660 HB3 MET 88 HB1 MET 88 104.504 2.779 8.920 661 HG2 MET 88 HG2 MET 88 106.528 4.041 9.479 662 HG3 MET 88 HG1 MET 88 105.567 5.491 9.741 663 HE1 MET 88 HE1 MET 88 106.202 1.901 12.439 664 HE2 MET 88 HE2 MET 88 107.142 2.480 11.066 665 HE3 MET 88 HE3 MET 88 105.613 1.647 10.789 666 H ASP 89 HN ASP 89 104.889 3.254 5.167 667 HA ASP 89 HA ASP 89 101.924 2.930 4.848 668 HB2 ASP 89 HB2 ASP 89 103.208 4.368 3.169 669 HB3 ASP 89 HB1 ASP 89 103.994 2.881 2.642 670 H HIS 90 HN HIS 90 101.582 0.866 5.670 671 HA HIS 90 HA HIS 90 103.445 -1.310 5.238 672 HB2 HIS 90 HB2 HIS 90 100.587 -1.249 6.228 673 HB3 HIS 90 HB1 HIS 90 101.571 -2.712 6.170 674 HD1 HIS 90 HD1 HIS 90 103.942 -2.514 7.534 675 HD2 HIS 90 HD2 HIS 90 100.979 0.249 8.528 676 HE1 HIS 90 HE1 HIS 90 104.589 -1.546 9.785 677 HE2 HIS 90 HE2 HIS 90 102.793 0.136 10.399 678 H TYR 91 HN TYR 91 100.487 -0.228 3.617 679 HA TYR 91 HA TYR 91 100.045 -2.563 2.048 680 HB2 TYR 91 HB2 TYR 91 98.361 -0.820 2.131 681 HB3 TYR 91 HB1 TYR 91 99.476 0.348 1.420 682 HD1 TYR 91 HD1 TYR 91 97.753 -2.901 0.758 683 HD2 TYR 91 HD2 TYR 91 99.695 0.542 -0.923 684 HE1 TYR 91 HE1 TYR 91 97.073 -3.628 -1.514 685 HE2 TYR 91 HE2 TYR 91 99.014 -0.184 -3.195 686 HH TYR 91 HH TYR 91 97.587 -3.316 -3.772 687 H ASN 92 HN ASN 92 102.006 0.344 1.353 688 HA ASN 92 HA ASN 92 103.024 -0.937 -1.107 689 HB2 ASN 92 HB2 ASN 92 103.432 1.774 0.161 690 HB3 ASN 92 HB1 ASN 92 104.387 1.239 -1.223 691 HD21 ASN 92 HD21 ASN 92 102.588 3.464 -1.428 692 HD22 ASN 92 HD22 ASN 92 101.311 3.026 -2.457 693 H ASN 93 HN ASN 93 103.714 -1.072 2.140 694 HA ASN 93 HA ASN 93 105.571 -1.820 3.351 695 HB2 ASN 93 HB2 ASN 93 106.160 -2.953 0.607 696 HB3 ASN 93 HB1 ASN 93 107.119 -3.339 2.034 697 HD21 ASN 93 HD21 ASN 93 105.657 -5.386 0.686 698 HD22 ASN 93 HD22 ASN 93 104.390 -5.901 1.692 699 H THR 94 HN THR 94 105.824 0.850 2.674 700 HA THR 94 HA THR 94 108.756 1.045 2.151 701 HB THR 94 HB THR 94 107.732 1.797 0.105 702 HG1 THR 94 HG1 THR 94 108.315 4.013 0.185 703 HG21 THR 94 HG21 THR 94 105.458 2.098 1.089 704 HG22 THR 94 HG22 THR 94 105.942 3.438 0.052 705 HG23 THR 94 HG23 THR 94 106.004 3.612 1.806 706 H PHE 95 HN PHE 95 109.829 2.432 3.532 707 HA PHE 95 HA PHE 95 108.134 4.023 5.436 708 HB2 PHE 95 HB2 PHE 95 110.675 2.494 6.085 709 HB3 PHE 95 HB1 PHE 95 109.715 3.442 7.220 710 HD1 PHE 95 HD1 PHE 95 109.743 0.412 5.088 711 HD2 PHE 95 HD2 PHE 95 107.650 2.603 8.128 712 HE1 PHE 95 HE1 PHE 95 108.285 -1.552 5.498 713 HE2 PHE 95 HE2 PHE 95 106.190 0.642 8.539 714 HZ PHE 95 HZ PHE 95 106.507 -1.437 7.224 715 H TYR 96 HN TYR 96 108.845 6.111 5.835 716 HA TYR 96 HA TYR 96 111.532 6.894 4.780 717 HB2 TYR 96 HB2 TYR 96 108.980 8.495 4.396 718 HB3 TYR 96 HB1 TYR 96 110.586 8.930 3.820 719 HD1 TYR 96 HD2 TYR 96 111.633 7.708 1.957 720 HD2 TYR 96 HD1 TYR 96 107.663 6.783 3.296 721 HE1 TYR 96 HE2 TYR 96 111.220 6.453 -0.142 722 HE2 TYR 96 HE1 TYR 96 107.248 5.526 1.200 723 HH TYR 96 HH TYR 96 109.672 5.434 -1.397 724 H SER 97 HN SER 97 112.531 8.563 5.993 725 HA SER 97 HA SER 97 111.001 9.870 8.150 726 HB2 SER 97 HB2 SER 97 113.447 8.166 8.721 727 HB3 SER 97 HB1 SER 97 112.620 9.190 9.891 728 HG SER 97 HG SER 97 110.901 7.864 9.854 729 H ARG 98 HN ARG 98 112.097 11.775 8.949 730 HA ARG 98 HA ARG 98 114.249 12.707 7.100 731 HB2 ARG 98 HB2 ARG 98 112.412 14.276 8.938 732 HB3 ARG 98 HB1 ARG 98 113.628 14.983 7.873 733 HG2 ARG 98 HG2 ARG 98 112.472 13.935 5.927 734 HG3 ARG 98 HG1 ARG 98 111.220 13.347 7.016 735 HD2 ARG 98 HD2 ARG 98 110.829 15.728 7.718 736 HD3 ARG 98 HD1 ARG 98 111.946 16.242 6.461 737 HE ARG 98 HE ARG 98 109.172 15.505 6.126 738 HH11 ARG 98 HH21 ARG 98 112.269 15.127 4.658 739 HH12 ARG 98 HH22 ARG 98 111.620 14.677 3.116 740 HH21 ARG 98 HH11 ARG 98 108.317 14.912 4.137 741 HH22 ARG 98 HH12 ARG 98 109.386 14.552 2.822 742 H LEU 99 HN LEU 99 116.254 13.206 7.894 743 HA LEU 99 HA LEU 99 116.812 12.540 10.708 744 HB2 LEU 99 HB2 LEU 99 118.585 13.218 8.362 745 HB3 LEU 99 HB1 LEU 99 119.210 12.922 9.978 746 HG LEU 99 HG LEU 99 117.572 10.965 8.343 747 HD11 LEU 99 HD11 LEU 99 119.960 9.761 8.761 748 HD12 LEU 99 HD12 LEU 99 120.491 11.440 8.712 749 HD13 LEU 99 HD13 LEU 99 119.624 10.750 7.340 750 HD21 LEU 99 HD21 LEU 99 117.095 10.328 10.528 751 HD22 LEU 99 HD22 LEU 99 118.598 11.006 11.159 752 HD23 LEU 99 HD23 LEU 99 118.616 9.470 10.297 753 HA PRO 100 HA PRO 100 116.638 16.760 12.191 754 HB2 PRO 100 HB2 PRO 100 119.146 15.974 13.630 755 HB3 PRO 100 HB1 PRO 100 117.685 16.761 14.261 756 HG2 PRO 100 HG2 PRO 100 118.197 14.172 14.679 757 HG3 PRO 100 HG1 PRO 100 116.550 14.787 14.469 758 HD2 PRO 100 HD2 PRO 100 118.184 13.150 12.609 759 HD3 PRO 100 HD1 PRO 100 116.417 13.323 12.724 760 H SER 101 HN SER 101 118.006 18.745 12.065 761 HA SER 101 HA SER 101 119.631 18.756 9.674 762 HB2 SER 101 HB2 SER 101 119.002 20.815 11.784 763 HB3 SER 101 HB1 SER 101 120.151 21.150 10.493 764 HG SER 101 HG SER 101 117.531 20.162 10.049 765 H LEU 102 HN LEU 102 120.304 18.145 12.988 766 HA LEU 102 HA LEU 102 123.234 18.238 12.377 767 HB2 LEU 102 HB2 LEU 102 122.663 20.177 13.765 768 HB3 LEU 102 HB1 LEU 102 121.879 19.122 14.940 769 HG LEU 102 HG LEU 102 124.015 18.000 15.391 770 HD11 LEU 102 HD11 LEU 102 125.251 18.050 13.408 771 HD12 LEU 102 HD12 LEU 102 126.072 19.278 14.371 772 HD13 LEU 102 HD13 LEU 102 124.918 19.759 13.128 773 HD21 LEU 102 HD21 LEU 102 124.529 20.976 15.462 774 HD22 LEU 102 HD22 LEU 102 125.012 19.756 16.640 775 HD23 LEU 102 HD23 LEU 102 123.317 20.226 16.500 776 H ILE 103 HN ILE 103 124.279 16.366 12.865 777 HA ILE 103 HA ILE 103 123.173 14.576 14.955 778 HB ILE 103 HB ILE 103 123.766 13.711 12.109 779 HG12 ILE 103 HG12 ILE 103 121.225 13.475 13.751 780 HG13 ILE 103 HG11 ILE 103 121.517 14.755 12.575 781 HG21 ILE 103 HG21 ILE 103 124.606 11.984 13.524 782 HG22 ILE 103 HG22 ILE 103 122.991 11.452 13.049 783 HG23 ILE 103 HG23 ILE 103 123.257 12.148 14.648 784 HD11 ILE 103 HD11 ILE 103 121.316 13.345 10.772 785 HD12 ILE 103 HD12 ILE 103 120.285 12.472 11.908 786 HD13 ILE 103 HD13 ILE 103 121.947 11.952 11.652 787 H SER 104 HN SER 104 124.856 13.961 16.246 788 HA SER 104 HA SER 104 127.581 13.802 15.015 789 HB2 SER 104 HB2 SER 104 128.457 14.750 17.181 790 HB3 SER 104 HB1 SER 104 127.517 15.892 16.225 791 HG SER 104 HG SER 104 125.970 14.396 17.893 792 H ASP 105 HN ASP 105 126.214 11.499 15.217 793 HA ASP 105 HA ASP 105 127.594 10.137 17.460 794 HB2 ASP 105 HB2 ASP 105 125.334 10.622 18.306 795 HB3 ASP 105 HB1 ASP 105 124.632 9.844 16.892 796 H ASN 106 HN ASN 106 127.975 7.900 17.046 797 HA ASN 106 HA ASN 106 127.902 7.192 14.172 798 HB2 ASN 106 HB2 ASN 106 129.244 5.954 16.588 799 HB3 ASN 106 HB1 ASN 106 129.268 5.203 14.993 800 HD21 ASN 106 HD21 ASN 106 131.681 6.087 16.260 801 HD22 ASN 106 HD22 ASN 106 132.305 7.389 15.367 802 H TRP 107 HN TRP 107 125.410 7.224 15.715 803 HA TRP 107 HA TRP 107 124.671 4.600 16.557 804 HB2 TRP 107 HB2 TRP 107 122.371 5.397 16.470 805 HB3 TRP 107 HB1 TRP 107 123.401 6.664 17.133 806 HD1 TRP 107 HD1 TRP 107 124.335 8.462 15.137 807 HE1 TRP 107 HE1 TRP 107 122.951 9.548 13.268 808 HE3 TRP 107 HE3 TRP 107 120.392 5.224 14.979 809 HZ2 TRP 107 HZ2 TRP 107 120.487 9.108 11.881 810 HZ3 TRP 107 HZ3 TRP 107 118.541 5.589 13.373 811 HH2 TRP 107 HH2 TRP 107 118.581 7.520 11.832 812 H LYS 108 HN LYS 108 123.455 2.999 15.498 813 HA LYS 108 HA LYS 108 123.182 3.213 12.543 814 HB2 LYS 108 HB2 LYS 108 125.303 2.077 12.868 815 HB3 LYS 108 HB1 LYS 108 124.586 0.992 14.056 816 HG2 LYS 108 HG2 LYS 108 123.120 0.033 12.344 817 HG3 LYS 108 HG1 LYS 108 123.752 1.157 11.145 818 HD2 LYS 108 HD2 LYS 108 125.503 -0.208 10.724 819 HD3 LYS 108 HD1 LYS 108 125.960 -0.210 12.426 820 HE2 LYS 108 HE2 LYS 108 125.397 -2.488 11.445 821 HE3 LYS 108 HE1 LYS 108 124.513 -2.054 12.909 822 HZ1 LYS 108 HZ1 LYS 108 123.039 -1.048 10.809 823 HZ2 LYS 108 HZ2 LYS 108 122.660 -2.396 11.772 824 HZ3 LYS 108 HZ3 LYS 108 123.509 -2.600 10.315 825 H PHE 109 HN PHE 109 121.528 1.778 11.692 826 HA PHE 109 HA PHE 109 120.067 0.060 13.579 827 HB2 PHE 109 HB2 PHE 109 117.988 1.226 13.543 828 HB3 PHE 109 HB1 PHE 109 119.198 2.444 13.929 829 HD1 PHE 109 HD2 PHE 109 119.914 4.093 12.237 830 HD2 PHE 109 HD1 PHE 109 116.829 1.221 11.418 831 HE1 PHE 109 HE2 PHE 109 119.208 5.415 10.260 832 HE2 PHE 109 HE1 PHE 109 116.122 2.540 9.443 833 HZ PHE 109 HZ PHE 109 117.312 4.638 8.863 834 H PHE 110 HN PHE 110 118.301 -1.154 12.368 835 HA PHE 110 HA PHE 110 118.457 -0.942 9.435 836 HB2 PHE 110 HB2 PHE 110 119.069 -3.419 9.291 837 HB3 PHE 110 HB1 PHE 110 120.365 -2.322 9.763 838 HD1 PHE 110 HD2 PHE 110 120.917 -2.062 12.226 839 HD2 PHE 110 HD1 PHE 110 118.308 -5.140 10.749 840 HE1 PHE 110 HE2 PHE 110 121.213 -3.327 14.338 841 HE2 PHE 110 HE1 PHE 110 118.607 -6.405 12.862 842 HZ PHE 110 HZ PHE 110 120.059 -5.499 14.655 843 H CYS 111 HN CYS 111 116.934 -2.315 8.332 844 HA CYS 111 HA CYS 111 114.710 -3.347 10.059 845 HB2 CYS 111 HB2 CYS 111 114.543 -1.838 7.429 846 HB3 CYS 111 HB1 CYS 111 113.182 -2.698 8.144 847 H VAL 112 HN VAL 112 113.576 -5.222 9.075 848 HA VAL 112 HA VAL 112 115.226 -6.548 6.942 849 HB VAL 112 HB VAL 112 114.125 -7.717 9.495 850 HG11 VAL 112 HG11 VAL 112 115.166 -9.867 8.484 851 HG12 VAL 112 HG12 VAL 112 115.015 -9.041 6.933 852 HG13 VAL 112 HG13 VAL 112 113.579 -9.372 7.901 853 HG21 VAL 112 HG21 VAL 112 116.468 -8.362 9.830 854 HG22 VAL 112 HG22 VAL 112 116.361 -6.622 9.554 855 HG23 VAL 112 HG23 VAL 112 116.893 -7.690 8.257 856 H CYS 113 HN CYS 113 114.165 -7.597 5.364 857 HA CYS 113 HA CYS 113 111.182 -7.801 5.508 858 HB2 CYS 113 HB2 CYS 113 112.989 -6.944 3.239 859 HB3 CYS 113 HB1 CYS 113 111.390 -7.606 2.921 860 H SER 114 HN SER 114 110.471 -9.951 5.127 861 HA SER 114 HA SER 114 111.975 -11.753 3.435 862 HB2 SER 114 HB2 SER 114 112.745 -13.289 5.227 863 HB3 SER 114 HB1 SER 114 113.529 -11.713 5.316 864 HG SER 114 HG SER 114 112.831 -11.874 7.320 865 H LYS 115 HN LYS 115 111.283 -14.128 3.989 866 HA LYS 115 HA LYS 115 108.575 -14.381 5.116 867 HB2 LYS 115 HB2 LYS 115 109.209 -14.883 2.196 868 HB3 LYS 115 HB1 LYS 115 107.826 -15.617 3.003 869 HG2 LYS 115 HG2 LYS 115 107.227 -13.190 3.713 870 HG3 LYS 115 HG1 LYS 115 108.345 -12.706 2.439 871 HD2 LYS 115 HD2 LYS 115 106.005 -14.594 2.033 872 HD3 LYS 115 HD1 LYS 115 105.970 -12.875 1.646 873 HE2 LYS 115 HE2 LYS 115 107.938 -13.241 0.126 874 HE3 LYS 115 HE1 LYS 115 107.785 -14.971 0.425 875 HZ1 LYS 115 HZ1 LYS 115 106.489 -13.582 -1.509 876 HZ2 LYS 115 HZ2 LYS 115 105.304 -13.735 -0.302 877 HZ3 LYS 115 HZ3 LYS 115 106.054 -15.119 -0.942 878 H ASP 116 HN ASP 116 108.005 -16.770 5.230 879 HA ASP 116 HA ASP 116 110.188 -18.303 6.215 880 HB2 ASP 116 HB2 ASP 116 108.646 -20.212 6.165 881 HB3 ASP 116 HB1 ASP 116 107.807 -18.776 6.749 882 H ASN 117 HN ASN 117 111.245 -20.177 5.251 883 HA ASN 117 HA ASN 117 112.548 -21.033 3.469 884 HB2 ASN 117 HB2 ASN 117 110.255 -22.160 3.309 885 HB3 ASN 117 HB1 ASN 117 109.901 -21.022 2.008 886 HD21 ASN 117 HD21 ASN 117 109.937 -22.556 0.266 887 HD22 ASN 117 HD22 ASN 117 111.341 -23.395 -0.188 888 H GLU 118 HN GLU 118 113.206 -18.495 3.374 889 HA GLU 118 HA GLU 118 113.405 -17.871 0.543 890 HB2 GLU 118 HB2 GLU 118 111.594 -16.240 2.326 891 HB3 GLU 118 HB1 GLU 118 112.365 -15.531 0.912 892 HG2 GLU 118 HG2 GLU 118 111.370 -17.633 -0.331 893 HG3 GLU 118 HG1 GLU 118 110.277 -17.683 1.052 894 H LYS 119 HN LYS 119 115.086 -16.378 0.152 895 HA LYS 119 HA LYS 119 117.091 -16.062 2.136 896 HB2 LYS 119 HB2 LYS 119 116.577 -14.362 -0.331 897 HB3 LYS 119 HB1 LYS 119 118.082 -14.392 0.589 898 HG2 LYS 119 HG2 LYS 119 118.355 -16.788 0.091 899 HG3 LYS 119 HG1 LYS 119 116.838 -16.780 -0.810 900 HD2 LYS 119 HD2 LYS 119 117.814 -15.027 -2.320 901 HD3 LYS 119 HD1 LYS 119 119.354 -15.228 -1.483 902 HE2 LYS 119 HE2 LYS 119 117.848 -17.405 -2.964 903 HE3 LYS 119 HE1 LYS 119 119.308 -16.592 -3.529 904 HZ1 LYS 119 HZ1 LYS 119 119.162 -18.833 -1.927 905 HZ2 LYS 119 HZ2 LYS 119 119.674 -17.578 -0.902 906 HZ3 LYS 119 HZ3 LYS 119 120.550 -17.939 -2.312 907 H LYS 120 HN LYS 120 117.588 -14.329 3.547 908 HA LYS 120 HA LYS 120 115.287 -12.560 4.145 909 HB2 LYS 120 HB2 LYS 120 116.554 -12.012 6.206 910 HB3 LYS 120 HB1 LYS 120 116.322 -13.749 6.017 911 HG2 LYS 120 HG2 LYS 120 118.636 -13.680 4.817 912 HG3 LYS 120 HG1 LYS 120 118.827 -12.126 5.622 913 HD2 LYS 120 HD2 LYS 120 119.729 -13.556 7.223 914 HD3 LYS 120 HD1 LYS 120 118.051 -13.477 7.755 915 HE2 LYS 120 HE2 LYS 120 117.535 -15.572 6.658 916 HE3 LYS 120 HE1 LYS 120 119.124 -15.620 5.894 917 HZ1 LYS 120 HZ1 LYS 120 118.724 -16.968 8.033 918 HZ2 LYS 120 HZ2 LYS 120 118.888 -15.476 8.828 919 HZ3 LYS 120 HZ3 LYS 120 120.163 -16.082 7.884 920 H LEU 121 HN LEU 121 115.328 -10.336 3.946 921 HA LEU 121 HA LEU 121 117.717 -9.183 2.566 922 HB2 LEU 121 HB2 LEU 121 114.928 -7.999 2.687 923 HB3 LEU 121 HB1 LEU 121 116.235 -7.573 1.582 924 HG LEU 121 HG LEU 121 114.783 -10.234 1.667 925 HD11 LEU 121 HD11 LEU 121 113.805 -9.572 -0.429 926 HD12 LEU 121 HD12 LEU 121 114.819 -8.134 -0.513 927 HD13 LEU 121 HD13 LEU 121 113.544 -8.243 0.699 928 HD21 LEU 121 HD21 LEU 121 117.205 -9.232 0.214 929 HD22 LEU 121 HD22 LEU 121 116.132 -10.361 -0.610 930 HD23 LEU 121 HD23 LEU 121 116.897 -10.822 0.909 931 H VAL 122 HN VAL 122 118.970 -7.896 3.883 932 HA VAL 122 HA VAL 122 117.655 -6.660 6.269 933 HB VAL 122 HB VAL 122 120.528 -7.426 5.711 934 HG11 VAL 122 HG11 VAL 122 120.677 -5.328 6.844 935 HG12 VAL 122 HG12 VAL 122 120.870 -6.558 8.095 936 HG13 VAL 122 HG13 VAL 122 119.326 -5.728 7.907 937 HG21 VAL 122 HG21 VAL 122 118.485 -8.939 6.703 938 HG22 VAL 122 HG22 VAL 122 119.095 -8.218 8.190 939 HG23 VAL 122 HG23 VAL 122 120.172 -9.158 7.161 940 H PHE 123 HN PHE 123 117.498 -4.497 6.367 941 HA PHE 123 HA PHE 123 118.966 -2.852 4.342 942 HB2 PHE 123 HB2 PHE 123 116.600 -2.566 4.073 943 HB3 PHE 123 HB1 PHE 123 116.343 -2.462 5.813 944 HD1 PHE 123 HD1 PHE 123 118.230 -0.747 3.070 945 HD2 PHE 123 HD2 PHE 123 116.160 -0.360 6.804 946 HE1 PHE 123 HE1 PHE 123 118.489 1.715 2.953 947 HE2 PHE 123 HE2 PHE 123 116.416 2.103 6.695 948 HZ PHE 123 HZ PHE 123 117.580 3.142 4.767 949 H THR 124 HN THR 124 120.679 -1.710 5.240 950 HA THR 124 HA THR 124 120.357 -0.791 8.073 951 HB THR 124 HB THR 124 121.716 -2.909 7.928 952 HG1 THR 124 HG1 THR 124 121.997 -0.892 9.393 953 HG21 THR 124 HG21 THR 124 123.857 -1.147 6.738 954 HG22 THR 124 HG22 THR 124 122.796 -2.120 5.720 955 HG23 THR 124 HG23 THR 124 123.845 -2.903 6.899 956 H VAL 125 HN VAL 125 121.210 1.166 8.566 957 HA VAL 125 HA VAL 125 122.902 2.549 6.538 958 HB VAL 125 HB VAL 125 121.577 4.529 6.592 959 HG11 VAL 125 HG11 VAL 125 119.620 3.813 5.552 960 HG12 VAL 125 HG12 VAL 125 119.380 2.483 6.687 961 HG13 VAL 125 HG13 VAL 125 120.617 2.364 5.435 962 HG21 VAL 125 HG21 VAL 125 121.080 4.744 8.919 963 HG22 VAL 125 HG22 VAL 125 120.207 3.211 8.946 964 HG23 VAL 125 HG23 VAL 125 119.517 4.605 8.113 965 H GLU 126 HN GLU 126 124.210 4.288 7.535 966 HA GLU 126 HA GLU 126 124.349 4.057 10.534 967 HB2 GLU 126 HB2 GLU 126 126.640 4.062 8.545 968 HB3 GLU 126 HB1 GLU 126 126.842 4.231 10.288 969 HG2 GLU 126 HG2 GLU 126 125.799 2.053 10.654 970 HG3 GLU 126 HG1 GLU 126 125.489 1.883 8.928 971 H ALA 127 HN ALA 127 125.033 5.948 11.627 972 HA ALA 127 HA ALA 127 125.723 8.360 10.112 973 HB1 ALA 127 HB1 ALA 127 122.993 7.918 11.267 974 HB2 ALA 127 HB2 ALA 127 123.462 8.769 9.795 975 HB3 ALA 127 HB3 ALA 127 123.694 9.534 11.365 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 114.418 15.094 -5.594 2 H2 GLU 1 HT2 GLU 1 115.361 16.481 -5.861 3 H3 GLU 1 HT3 GLU 1 114.700 16.183 -4.325 4 HA GLU 1 HA GLU 1 117.066 15.058 -5.586 5 HB2 GLU 1 HB2 GLU 1 116.150 15.635 -2.756 6 HB3 GLU 1 HB1 GLU 1 117.721 14.936 -3.151 7 HG2 GLU 1 HG2 GLU 1 118.304 16.897 -4.482 8 HG3 GLU 1 HG1 GLU 1 116.701 17.586 -4.218 9 H LYS 2 HN LYS 2 117.773 12.899 -5.159 10 HA LYS 2 HA LYS 2 115.626 10.945 -5.023 11 HB2 LYS 2 HB2 LYS 2 118.632 10.533 -4.911 12 HB3 LYS 2 HB1 LYS 2 117.424 9.286 -5.229 13 HG2 LYS 2 HG2 LYS 2 117.778 11.761 -6.940 14 HG3 LYS 2 HG1 LYS 2 118.506 10.198 -7.312 15 HD2 LYS 2 HD2 LYS 2 116.089 9.268 -7.095 16 HD3 LYS 2 HD1 LYS 2 115.586 10.951 -7.266 17 HE2 LYS 2 HE2 LYS 2 117.415 9.531 -9.219 18 HE3 LYS 2 HE1 LYS 2 115.675 9.711 -9.447 19 HZ1 LYS 2 HZ1 LYS 2 116.193 12.198 -9.031 20 HZ2 LYS 2 HZ2 LYS 2 116.497 11.524 -10.562 21 HZ3 LYS 2 HZ3 LYS 2 117.774 11.769 -9.468 22 H VAL 3 HN VAL 3 115.583 9.189 -3.384 23 HA VAL 3 HA VAL 3 116.237 10.286 -0.686 24 HB VAL 3 HB VAL 3 114.252 8.204 -1.633 25 HG11 VAL 3 HG11 VAL 3 113.600 8.380 0.912 26 HG12 VAL 3 HG12 VAL 3 115.288 8.850 1.107 27 HG13 VAL 3 HG13 VAL 3 114.885 7.282 0.409 28 HG21 VAL 3 HG21 VAL 3 114.085 10.985 -0.471 29 HG22 VAL 3 HG22 VAL 3 112.717 9.876 -0.392 30 HG23 VAL 3 HG23 VAL 3 113.361 10.372 -1.957 31 H LYS 4 HN LYS 4 117.770 9.270 0.548 32 HA LYS 4 HA LYS 4 119.320 7.098 -0.560 33 HB2 LYS 4 HB2 LYS 4 119.239 8.473 2.122 34 HB3 LYS 4 HB1 LYS 4 120.199 7.010 1.902 35 HG2 LYS 4 HG2 LYS 4 121.474 9.155 1.515 36 HG3 LYS 4 HG1 LYS 4 121.498 8.038 0.150 37 HD2 LYS 4 HD2 LYS 4 119.757 9.297 -0.982 38 HD3 LYS 4 HD1 LYS 4 119.550 10.343 0.423 39 HE2 LYS 4 HE2 LYS 4 120.917 11.533 -1.166 40 HE3 LYS 4 HE1 LYS 4 121.970 11.022 0.153 41 HZ1 LYS 4 HZ1 LYS 4 123.211 10.200 -1.503 42 HZ2 LYS 4 HZ2 LYS 4 121.924 10.175 -2.612 43 HZ3 LYS 4 HZ3 LYS 4 122.103 8.915 -1.487 44 H GLY 5 HN GLY 5 118.753 4.983 -0.545 45 HA2 GLY 5 HA2 GLY 5 117.761 3.589 1.723 46 HA3 GLY 5 HA1 GLY 5 116.381 4.019 0.712 47 H CYS 6 HN CYS 6 116.716 1.399 0.947 48 HA CYS 6 HA CYS 6 118.168 0.553 -1.533 49 HB2 CYS 6 HB2 CYS 6 118.828 -0.348 0.836 50 HB3 CYS 6 HB1 CYS 6 117.391 -1.347 0.662 51 H ASP 7 HN ASP 7 116.945 -0.294 -3.124 52 HA ASP 7 HA ASP 7 114.073 -0.874 -2.505 53 HB2 ASP 7 HB2 ASP 7 114.721 0.922 -4.229 54 HB3 ASP 7 HB1 ASP 7 115.241 -0.418 -5.251 55 H PHE 8 HN PHE 8 113.836 -3.045 -2.180 56 HA PHE 8 HA PHE 8 115.546 -4.956 -3.655 57 HB2 PHE 8 HB2 PHE 8 113.392 -5.315 -1.549 58 HB3 PHE 8 HB1 PHE 8 114.256 -6.658 -2.298 59 HD1 PHE 8 HD2 PHE 8 116.684 -6.957 -1.927 60 HD2 PHE 8 HD1 PHE 8 114.466 -3.858 0.053 61 HE1 PHE 8 HE2 PHE 8 118.548 -6.650 -0.321 62 HE2 PHE 8 HE1 PHE 8 116.328 -3.552 1.661 63 HZ PHE 8 HZ PHE 8 118.368 -4.949 1.475 64 H THR 9 HN THR 9 112.841 -3.251 -4.368 65 HA THR 9 HA THR 9 111.468 -5.482 -5.779 66 HB THR 9 HB THR 9 110.550 -2.614 -5.470 67 HG1 THR 9 HG1 THR 9 110.706 -4.642 -3.677 68 HG21 THR 9 HG21 THR 9 109.231 -5.211 -6.270 69 HG22 THR 9 HG22 THR 9 109.334 -3.715 -7.198 70 HG23 THR 9 HG23 THR 9 108.304 -3.797 -5.769 71 H THR 10 HN THR 10 113.567 -2.800 -6.405 72 HA THR 10 HA THR 10 113.473 -3.421 -9.273 73 HB THR 10 HB THR 10 112.746 -0.643 -8.300 74 HG1 THR 10 HG1 THR 10 111.287 -2.867 -9.039 75 HG21 THR 10 HG21 THR 10 112.197 -0.459 -10.831 76 HG22 THR 10 HG22 THR 10 113.249 -1.863 -11.006 77 HG23 THR 10 HG23 THR 10 113.886 -0.361 -10.337 78 H SER 11 HN SER 11 115.528 -3.247 -10.049 79 HA SER 11 HA SER 11 117.665 -2.253 -8.386 80 HB2 SER 11 HB2 SER 11 117.488 -3.112 -11.274 81 HB3 SER 11 HB1 SER 11 118.981 -2.457 -10.605 82 HG SER 11 HG SER 11 119.055 -4.130 -9.164 83 H GLU 12 HN GLU 12 115.588 -0.830 -10.786 84 HA GLU 12 HA GLU 12 117.192 1.697 -10.667 85 HB2 GLU 12 HB2 GLU 12 115.280 0.661 -12.783 86 HB3 GLU 12 HB1 GLU 12 115.976 2.281 -12.790 87 HG2 GLU 12 HG2 GLU 12 118.237 1.337 -12.884 88 HG3 GLU 12 HG1 GLU 12 117.573 -0.297 -12.806 89 H SER 13 HN SER 13 115.983 1.934 -8.535 90 HA SER 13 HA SER 13 113.122 2.282 -8.545 91 HB2 SER 13 HB2 SER 13 115.067 3.524 -6.592 92 HB3 SER 13 HB1 SER 13 113.381 3.097 -6.310 93 HG SER 13 HG SER 13 115.388 1.612 -5.771 94 H THR 14 HN THR 14 111.932 4.247 -8.422 95 HA THR 14 HA THR 14 113.260 6.517 -9.821 96 HB THR 14 HB THR 14 111.266 5.953 -10.961 97 HG1 THR 14 HG1 THR 14 111.344 8.169 -9.527 98 HG21 THR 14 HG21 THR 14 109.091 5.739 -9.515 99 HG22 THR 14 HG22 THR 14 110.218 5.425 -8.195 100 HG23 THR 14 HG23 THR 14 110.202 4.372 -9.610 101 H ILE 15 HN ILE 15 112.685 5.501 -6.751 102 HA ILE 15 HA ILE 15 112.419 8.305 -5.741 103 HB ILE 15 HB ILE 15 111.377 7.125 -3.680 104 HG12 ILE 15 HG12 ILE 15 110.744 5.042 -5.785 105 HG13 ILE 15 HG11 ILE 15 112.024 4.834 -4.593 106 HG21 ILE 15 HG21 ILE 15 109.122 7.023 -4.909 107 HG22 ILE 15 HG22 ILE 15 110.026 7.443 -6.364 108 HG23 ILE 15 HG23 ILE 15 109.998 8.552 -4.994 109 HD11 ILE 15 HD11 ILE 15 110.378 5.133 -2.774 110 HD12 ILE 15 HD12 ILE 15 109.931 3.784 -3.818 111 HD13 ILE 15 HD13 ILE 15 109.098 5.330 -3.970 112 H PHE 16 HN PHE 16 114.061 5.217 -5.533 113 HA PHE 16 HA PHE 16 115.743 6.313 -3.309 114 HB2 PHE 16 HB2 PHE 16 115.296 3.446 -4.191 115 HB3 PHE 16 HB1 PHE 16 116.424 3.943 -2.929 116 HD1 PHE 16 HD2 PHE 16 115.462 5.367 -0.976 117 HD2 PHE 16 HD1 PHE 16 113.045 3.040 -3.661 118 HE1 PHE 16 HE2 PHE 16 113.607 5.392 0.671 119 HE2 PHE 16 HE1 PHE 16 111.192 3.069 -2.016 120 HZ PHE 16 HZ PHE 16 111.472 4.241 0.152 121 H SER 17 HN SER 17 117.927 6.527 -3.623 122 HA SER 17 HA SER 17 118.928 6.600 -6.333 123 HB2 SER 17 HB2 SER 17 120.189 6.964 -3.619 124 HB3 SER 17 HB1 SER 17 121.163 6.972 -5.086 125 HG SER 17 HG SER 17 120.568 9.050 -4.815 126 H LYS 18 HN LYS 18 118.814 4.076 -3.949 127 HA LYS 18 HA LYS 18 120.637 2.463 -5.697 128 HB2 LYS 18 HB2 LYS 18 121.775 3.133 -3.581 129 HB3 LYS 18 HB1 LYS 18 120.502 2.312 -2.675 130 HG2 LYS 18 HG2 LYS 18 121.072 0.185 -3.756 131 HG3 LYS 18 HG1 LYS 18 122.309 0.990 -4.722 132 HD2 LYS 18 HD2 LYS 18 123.505 1.631 -2.658 133 HD3 LYS 18 HD1 LYS 18 122.277 0.810 -1.694 134 HE2 LYS 18 HE2 LYS 18 124.209 -0.661 -1.985 135 HE3 LYS 18 HE1 LYS 18 122.826 -1.320 -2.859 136 HZ1 LYS 18 HZ1 LYS 18 124.202 0.453 -4.541 137 HZ2 LYS 18 HZ2 LYS 18 123.983 -1.222 -4.724 138 HZ3 LYS 18 HZ3 LYS 18 125.329 -0.625 -3.876 139 H GLY 19 HN GLY 19 119.988 0.359 -6.090 140 HA2 GLY 19 HA2 GLY 19 117.891 -0.919 -4.516 141 HA3 GLY 19 HA1 GLY 19 117.341 -0.406 -6.112 142 H TYR 20 HN TYR 20 117.356 -3.107 -5.496 143 HA TYR 20 HA TYR 20 119.621 -4.116 -7.175 144 HB2 TYR 20 HB2 TYR 20 118.325 -5.367 -4.744 145 HB3 TYR 20 HB1 TYR 20 119.336 -6.278 -5.865 146 HD1 TYR 20 HD2 TYR 20 121.715 -5.427 -6.308 147 HD2 TYR 20 HD1 TYR 20 119.292 -4.049 -3.040 148 HE1 TYR 20 HE2 TYR 20 123.746 -4.603 -5.150 149 HE2 TYR 20 HE1 TYR 20 121.322 -3.227 -1.884 150 HH TYR 20 HH TYR 20 124.431 -3.132 -3.464 151 H SER 21 HN SER 21 119.019 -6.270 -8.209 152 HA SER 21 HA SER 21 116.203 -6.092 -9.197 153 HB2 SER 21 HB2 SER 21 117.648 -6.007 -11.059 154 HB3 SER 21 HB1 SER 21 118.753 -7.194 -10.370 155 HG SER 21 HG SER 21 116.292 -7.535 -11.655 156 H ILE 22 HN ILE 22 115.142 -8.261 -9.636 157 HA ILE 22 HA ILE 22 115.151 -9.867 -7.279 158 HB ILE 22 HB ILE 22 113.725 -11.425 -8.571 159 HG12 ILE 22 HG12 ILE 22 114.318 -9.598 -10.919 160 HG13 ILE 22 HG11 ILE 22 115.026 -11.200 -10.712 161 HG21 ILE 22 HG21 ILE 22 112.001 -9.706 -9.268 162 HG22 ILE 22 HG22 ILE 22 113.208 -8.464 -8.930 163 HG23 ILE 22 HG23 ILE 22 112.624 -9.504 -7.631 164 HD11 ILE 22 HD11 ILE 22 113.146 -11.577 -12.100 165 HD12 ILE 22 HD12 ILE 22 112.129 -10.484 -11.161 166 HD13 ILE 22 HD13 ILE 22 112.599 -12.046 -10.490 167 H ASN 23 HN ASN 23 117.136 -9.935 -10.102 168 HA ASN 23 HA ASN 23 117.928 -12.669 -10.125 169 HB2 ASN 23 HB2 ASN 23 118.556 -11.091 -11.912 170 HB3 ASN 23 HB1 ASN 23 119.585 -10.213 -10.780 171 HD21 ASN 23 HD21 ASN 23 120.700 -11.406 -13.123 172 HD22 ASN 23 HD22 ASN 23 121.701 -12.692 -12.650 173 H GLU 24 HN GLU 24 118.994 -9.950 -8.139 174 HA GLU 24 HA GLU 24 121.232 -11.315 -6.939 175 HB2 GLU 24 HB2 GLU 24 119.570 -8.976 -5.959 176 HB3 GLU 24 HB1 GLU 24 121.071 -9.518 -5.207 177 HG2 GLU 24 HG2 GLU 24 120.816 -8.655 -8.103 178 HG3 GLU 24 HG1 GLU 24 121.429 -7.634 -6.803 179 H ILE 25 HN ILE 25 117.794 -11.042 -6.063 180 HA ILE 25 HA ILE 25 118.327 -12.765 -3.692 181 HB ILE 25 HB ILE 25 116.265 -12.046 -2.817 182 HG12 ILE 25 HG12 ILE 25 115.576 -11.344 -5.673 183 HG13 ILE 25 HG11 ILE 25 114.772 -12.505 -4.624 184 HG21 ILE 25 HG21 ILE 25 118.029 -10.231 -3.098 185 HG22 ILE 25 HG22 ILE 25 116.376 -9.654 -2.888 186 HG23 ILE 25 HG23 ILE 25 117.105 -9.673 -4.493 187 HD11 ILE 25 HD11 ILE 25 114.708 -9.494 -4.471 188 HD12 ILE 25 HD12 ILE 25 114.289 -10.492 -3.078 189 HD13 ILE 25 HD13 ILE 25 113.350 -10.615 -4.566 190 H SER 26 HN SER 26 117.538 -13.108 -6.907 191 HA SER 26 HA SER 26 115.421 -14.970 -6.968 192 HB2 SER 26 HB2 SER 26 117.920 -14.777 -8.667 193 HB3 SER 26 HB1 SER 26 116.605 -15.896 -9.015 194 HG SER 26 HG SER 26 115.287 -14.231 -9.447 195 H ASN 27 HN ASN 27 116.376 -17.386 -7.939 196 HA ASN 27 HA ASN 27 117.804 -18.498 -5.550 197 HB2 ASN 27 HB2 ASN 27 115.751 -19.785 -7.375 198 HB3 ASN 27 HB1 ASN 27 116.624 -20.631 -6.097 199 HD21 ASN 27 HD21 ASN 27 113.644 -19.804 -6.424 200 HD22 ASN 27 HD22 ASN 27 113.285 -19.040 -4.951 201 H LYS 28 HN LYS 28 118.336 -17.635 -8.652 202 HA LYS 28 HA LYS 28 119.505 -19.932 -9.879 203 HB2 LYS 28 HB2 LYS 28 120.226 -16.999 -10.151 204 HB3 LYS 28 HB1 LYS 28 120.782 -18.271 -11.238 205 HG2 LYS 28 HG2 LYS 28 118.434 -18.817 -11.793 206 HG3 LYS 28 HG1 LYS 28 117.889 -17.523 -10.726 207 HD2 LYS 28 HD2 LYS 28 119.770 -17.058 -13.052 208 HD3 LYS 28 HD1 LYS 28 118.018 -16.901 -13.186 209 HE2 LYS 28 HE2 LYS 28 118.208 -15.314 -11.144 210 HE3 LYS 28 HE1 LYS 28 119.928 -15.254 -11.531 211 HZ1 LYS 28 HZ1 LYS 28 117.754 -13.965 -12.824 212 HZ2 LYS 28 HZ2 LYS 28 118.635 -14.912 -13.926 213 HZ3 LYS 28 HZ3 LYS 28 119.420 -13.712 -13.014 214 H SER 29 HN SER 29 121.822 -17.411 -9.363 215 HA SER 29 HA SER 29 123.245 -18.981 -7.287 216 HB2 SER 29 HB2 SER 29 124.098 -19.852 -9.422 217 HB3 SER 29 HB1 SER 29 124.453 -18.214 -9.963 218 HG SER 29 HG SER 29 126.185 -18.209 -8.761 219 H SER 30 HN SER 30 122.344 -16.890 -6.266 220 HA SER 30 HA SER 30 123.615 -14.374 -6.973 221 HB2 SER 30 HB2 SER 30 122.668 -13.645 -4.731 222 HB3 SER 30 HB1 SER 30 121.482 -14.274 -5.872 223 HG SER 30 HG SER 30 121.321 -15.153 -3.721 224 H ASN 31 HN ASN 31 125.454 -13.450 -6.075 225 HA ASN 31 HA ASN 31 127.397 -15.189 -4.860 226 HB2 ASN 31 HB2 ASN 31 128.063 -13.245 -6.209 227 HB3 ASN 31 HB1 ASN 31 127.328 -12.159 -5.030 228 HD21 ASN 31 HD21 ASN 31 129.319 -11.145 -4.363 229 HD22 ASN 31 HD22 ASN 31 130.534 -11.990 -3.531 230 H ASN 32 HN ASN 32 125.569 -12.413 -3.511 231 HA ASN 32 HA ASN 32 126.496 -12.813 -0.827 232 HB2 ASN 32 HB2 ASN 32 124.049 -11.424 -1.945 233 HB3 ASN 32 HB1 ASN 32 124.459 -11.421 -0.229 234 HD21 ASN 32 HD21 ASN 32 124.414 -8.991 -1.759 235 HD22 ASN 32 HD22 ASN 32 126.004 -8.405 -1.871 236 H GLN 33 HN GLN 33 125.987 -14.478 0.510 237 HA GLN 33 HA GLN 33 124.296 -16.612 -0.059 238 HB2 GLN 33 HB2 GLN 33 124.071 -16.757 2.543 239 HB3 GLN 33 HB1 GLN 33 125.667 -16.934 1.814 240 HG2 GLN 33 HG2 GLN 33 126.348 -14.797 2.459 241 HG3 GLN 33 HG1 GLN 33 124.696 -14.205 2.599 242 HE21 GLN 33 HE21 GLN 33 126.892 -14.197 4.679 243 HE22 GLN 33 HE22 GLN 33 126.250 -15.036 6.006 244 H GLN 34 HN GLN 34 122.245 -17.068 1.548 245 HA GLN 34 HA GLN 34 120.130 -15.482 0.551 246 HB2 GLN 34 HB2 GLN 34 118.809 -16.554 2.447 247 HB3 GLN 34 HB1 GLN 34 119.630 -17.677 1.367 248 HG2 GLN 34 HG2 GLN 34 121.513 -17.815 2.972 249 HG3 GLN 34 HG1 GLN 34 120.648 -16.730 4.062 250 HE21 GLN 34 HE21 GLN 34 119.794 -17.978 5.735 251 HE22 GLN 34 HE22 GLN 34 119.007 -19.468 5.531 252 H ASP 35 HN ASP 35 122.420 -14.148 2.199 253 HA ASP 35 HA ASP 35 120.619 -12.530 3.953 254 HB2 ASP 35 HB2 ASP 35 123.561 -13.186 4.241 255 HB3 ASP 35 HB1 ASP 35 122.736 -11.967 5.207 256 H ILE 36 HN ILE 36 120.111 -10.824 2.574 257 HA ILE 36 HA ILE 36 122.381 -9.515 1.136 258 HB ILE 36 HB ILE 36 119.404 -9.000 0.854 259 HG12 ILE 36 HG12 ILE 36 119.872 -11.298 0.195 260 HG13 ILE 36 HG11 ILE 36 119.649 -10.329 -1.262 261 HG21 ILE 36 HG21 ILE 36 121.836 -8.214 -0.776 262 HG22 ILE 36 HG22 ILE 36 120.745 -7.133 0.089 263 HG23 ILE 36 HG23 ILE 36 120.175 -8.009 -1.332 264 HD11 ILE 36 HD11 ILE 36 122.256 -10.012 -1.114 265 HD12 ILE 36 HD12 ILE 36 121.598 -11.502 -1.782 266 HD13 ILE 36 HD13 ILE 36 122.181 -11.464 -0.118 267 H VAL 37 HN VAL 37 123.200 -7.657 1.989 268 HA VAL 37 HA VAL 37 121.487 -6.164 3.942 269 HB VAL 37 HB VAL 37 124.465 -6.665 3.956 270 HG11 VAL 37 HG11 VAL 37 122.778 -4.619 5.386 271 HG12 VAL 37 HG12 VAL 37 124.333 -4.400 4.581 272 HG13 VAL 37 HG13 VAL 37 124.251 -5.244 6.128 273 HG21 VAL 37 HG21 VAL 37 124.075 -7.919 5.874 274 HG22 VAL 37 HG22 VAL 37 122.598 -8.253 4.968 275 HG23 VAL 37 HG23 VAL 37 122.590 -7.053 6.263 276 H CYS 38 HN CYS 38 121.119 -4.064 3.443 277 HA CYS 38 HA CYS 38 122.671 -2.882 1.185 278 HB2 CYS 38 HB2 CYS 38 120.030 -2.097 2.465 279 HB3 CYS 38 HB1 CYS 38 120.835 -1.159 1.208 280 H THR 39 HN THR 39 124.526 -2.065 2.208 281 HA THR 39 HA THR 39 124.159 -0.442 4.659 282 HB THR 39 HB THR 39 126.662 -1.325 3.196 283 HG1 THR 39 HG1 THR 39 125.077 -2.680 4.676 284 HG21 THR 39 HG21 THR 39 127.224 0.687 4.317 285 HG22 THR 39 HG22 THR 39 127.710 -0.594 5.427 286 HG23 THR 39 HG23 THR 39 126.210 0.290 5.705 287 H VAL 40 HN VAL 40 123.880 1.706 4.471 288 HA VAL 40 HA VAL 40 125.295 3.151 2.284 289 HB VAL 40 HB VAL 40 123.206 4.481 1.847 290 HG11 VAL 40 HG11 VAL 40 122.788 1.519 1.379 291 HG12 VAL 40 HG12 VAL 40 123.960 2.476 0.473 292 HG13 VAL 40 HG13 VAL 40 122.241 2.857 0.369 293 HG21 VAL 40 HG21 VAL 40 121.084 3.691 2.666 294 HG22 VAL 40 HG22 VAL 40 122.151 3.821 4.064 295 HG23 VAL 40 HG23 VAL 40 121.822 2.243 3.351 296 H LYS 41 HN LYS 41 125.564 5.445 2.783 297 HA LYS 41 HA LYS 41 125.532 5.928 5.714 298 HB2 LYS 41 HB2 LYS 41 126.875 7.406 3.431 299 HB3 LYS 41 HB1 LYS 41 126.972 7.895 5.124 300 HG2 LYS 41 HG2 LYS 41 127.972 5.720 5.706 301 HG3 LYS 41 HG1 LYS 41 127.864 5.214 4.020 302 HD2 LYS 41 HD2 LYS 41 129.405 7.647 4.970 303 HD3 LYS 41 HD1 LYS 41 130.136 6.073 4.653 304 HE2 LYS 41 HE2 LYS 41 130.437 6.959 2.563 305 HE3 LYS 41 HE1 LYS 41 128.777 6.415 2.332 306 HZ1 LYS 41 HZ1 LYS 41 128.145 8.502 2.069 307 HZ2 LYS 41 HZ2 LYS 41 129.755 9.021 2.233 308 HZ3 LYS 41 HZ3 LYS 41 128.749 8.921 3.598 309 H ALA 42 HN ALA 42 124.072 7.300 6.617 310 HA ALA 42 HA ALA 42 122.270 8.793 4.775 311 HB1 ALA 42 HB1 ALA 42 120.693 8.833 6.570 312 HB2 ALA 42 HB2 ALA 42 121.915 8.371 7.751 313 HB3 ALA 42 HB3 ALA 42 121.361 7.204 6.550 314 H HIS 43 HN HIS 43 121.772 11.038 5.237 315 HA HIS 43 HA HIS 43 123.830 12.408 6.929 316 HB2 HIS 43 HB2 HIS 43 124.086 12.571 4.349 317 HB3 HIS 43 HB1 HIS 43 122.685 13.638 4.430 318 HD1 HIS 43 HD1 HIS 43 122.972 15.919 5.653 319 HD2 HIS 43 HD2 HIS 43 126.469 13.652 5.469 320 HE1 HIS 43 HE1 HIS 43 124.866 17.465 6.323 321 HE2 HIS 43 HE2 HIS 43 126.998 16.095 6.213 322 H ALA 44 HN ALA 44 123.105 14.344 7.959 323 HA ALA 44 HA ALA 44 120.489 14.308 9.009 324 HB1 ALA 44 HB1 ALA 44 122.663 16.356 8.853 325 HB2 ALA 44 HB2 ALA 44 121.897 15.639 10.271 326 HB3 ALA 44 HB3 ALA 44 121.061 16.889 9.355 327 H ASN 45 HN ASN 45 121.658 15.624 5.996 328 HA ASN 45 HA ASN 45 119.085 17.057 5.561 329 HB2 ASN 45 HB2 ASN 45 121.705 17.025 4.040 330 HB3 ASN 45 HB1 ASN 45 120.259 17.848 3.454 331 HD21 ASN 45 HD21 ASN 45 122.673 19.280 4.126 332 HD22 ASN 45 HD22 ASN 45 122.341 20.260 5.472 333 H ASP 46 HN ASP 46 120.852 14.217 4.598 334 HA ASP 46 HA ASP 46 119.338 13.711 2.172 335 HB2 ASP 46 HB2 ASP 46 121.168 12.052 3.906 336 HB3 ASP 46 HB1 ASP 46 120.301 11.337 2.550 337 H LEU 47 HN LEU 47 117.415 12.606 1.955 338 HA LEU 47 HA LEU 47 115.871 12.024 4.364 339 HB2 LEU 47 HB2 LEU 47 115.220 11.333 1.480 340 HB3 LEU 47 HB1 LEU 47 114.088 11.400 2.829 341 HG LEU 47 HG LEU 47 115.675 13.758 1.771 342 HD11 LEU 47 HD11 LEU 47 114.038 13.401 0.142 343 HD12 LEU 47 HD12 LEU 47 113.200 14.479 1.258 344 HD13 LEU 47 HD13 LEU 47 112.884 12.744 1.303 345 HD21 LEU 47 HD21 LEU 47 113.854 14.930 3.250 346 HD22 LEU 47 HD22 LEU 47 115.273 14.235 4.035 347 HD23 LEU 47 HD23 LEU 47 113.742 13.362 4.044 348 H ILE 48 HN ILE 48 115.294 9.924 5.120 349 HA ILE 48 HA ILE 48 116.887 7.693 3.890 350 HB ILE 48 HB ILE 48 116.976 6.721 6.183 351 HG12 ILE 48 HG12 ILE 48 115.877 9.411 7.049 352 HG13 ILE 48 HG11 ILE 48 114.924 7.932 6.995 353 HG21 ILE 48 HG21 ILE 48 118.908 7.936 5.517 354 HG22 ILE 48 HG22 ILE 48 118.513 8.542 7.127 355 HG23 ILE 48 HG23 ILE 48 118.089 9.488 5.700 356 HD11 ILE 48 HD11 ILE 48 117.514 8.120 8.537 357 HD12 ILE 48 HD12 ILE 48 116.264 6.884 8.666 358 HD13 ILE 48 HD13 ILE 48 115.955 8.514 9.262 359 H GLY 49 HN GLY 49 115.834 5.759 3.538 360 HA2 GLY 49 HA2 GLY 49 113.409 4.916 4.770 361 HA3 GLY 49 HA1 GLY 49 112.989 5.748 3.271 362 H PHE 50 HN PHE 50 112.227 3.330 2.944 363 HA PHE 50 HA PHE 50 114.022 2.161 1.012 364 HB2 PHE 50 HB2 PHE 50 114.600 0.106 2.123 365 HB3 PHE 50 HB1 PHE 50 115.079 1.427 3.188 366 HD1 PHE 50 HD2 PHE 50 113.848 1.906 5.245 367 HD2 PHE 50 HD1 PHE 50 112.680 -1.311 2.650 368 HE1 PHE 50 HE2 PHE 50 112.402 0.985 7.036 369 HE2 PHE 50 HE1 PHE 50 111.235 -2.233 4.442 370 HZ PHE 50 HZ PHE 50 111.096 -1.085 6.636 371 H LYS 51 HN LYS 51 113.093 -0.025 0.238 372 HA LYS 51 HA LYS 51 110.204 -0.330 0.846 373 HB2 LYS 51 HB2 LYS 51 110.251 1.302 -0.980 374 HB3 LYS 51 HB1 LYS 51 111.275 0.229 -1.936 375 HG2 LYS 51 HG2 LYS 51 109.501 -1.460 -1.983 376 HG3 LYS 51 HG1 LYS 51 108.480 -0.443 -0.965 377 HD2 LYS 51 HD2 LYS 51 108.506 1.314 -2.714 378 HD3 LYS 51 HD1 LYS 51 109.489 0.266 -3.738 379 HE2 LYS 51 HE2 LYS 51 106.709 -0.382 -2.712 380 HE3 LYS 51 HE1 LYS 51 107.105 0.113 -4.357 381 HZ1 LYS 51 HZ1 LYS 51 107.449 -2.018 -4.796 382 HZ2 LYS 51 HZ2 LYS 51 107.302 -2.453 -3.160 383 HZ3 LYS 51 HZ3 LYS 51 108.807 -1.968 -3.780 384 H CYS 52 HN CYS 52 109.440 -2.418 0.410 385 HA CYS 52 HA CYS 52 111.446 -4.370 -0.649 386 HB2 CYS 52 HB2 CYS 52 109.551 -4.608 1.706 387 HB3 CYS 52 HB1 CYS 52 110.320 -6.007 0.971 388 HA PRO 53 HA PRO 53 108.433 -5.611 -3.638 389 HB2 PRO 53 HB2 PRO 53 108.480 -8.409 -3.207 390 HB3 PRO 53 HB1 PRO 53 109.492 -7.498 -4.341 391 HG2 PRO 53 HG2 PRO 53 110.125 -8.491 -1.625 392 HG3 PRO 53 HG1 PRO 53 111.178 -8.299 -3.033 393 HD2 PRO 53 HD2 PRO 53 111.292 -6.590 -0.952 394 HD3 PRO 53 HD1 PRO 53 111.531 -6.027 -2.620 395 H SER 54 HN SER 54 106.221 -6.128 -3.756 396 HA SER 54 HA SER 54 104.729 -6.011 -1.301 397 HB2 SER 54 HB2 SER 54 103.883 -5.130 -3.457 398 HB3 SER 54 HB1 SER 54 103.785 -6.774 -4.079 399 HG SER 54 HG SER 54 102.301 -5.534 -2.025 400 H ASN 55 HN ASN 55 106.163 -8.657 -2.936 401 HA ASN 55 HA ASN 55 104.196 -10.612 -1.925 402 HB2 ASN 55 HB2 ASN 55 106.813 -10.984 -3.414 403 HB3 ASN 55 HB1 ASN 55 105.685 -12.279 -3.012 404 HD21 ASN 55 HD21 ASN 55 106.555 -10.484 -5.593 405 HD22 ASN 55 HD22 ASN 55 105.066 -10.348 -6.396 406 H TYR 56 HN TYR 56 106.694 -8.939 -0.557 407 HA TYR 56 HA TYR 56 107.490 -11.231 1.190 408 HB2 TYR 56 HB2 TYR 56 108.889 -8.707 0.367 409 HB3 TYR 56 HB1 TYR 56 109.348 -9.526 1.860 410 HD1 TYR 56 HD1 TYR 56 108.652 -10.288 -1.752 411 HD2 TYR 56 HD2 TYR 56 110.941 -11.226 1.762 412 HE1 TYR 56 HE1 TYR 56 109.983 -11.925 -3.055 413 HE2 TYR 56 HE2 TYR 56 112.270 -12.863 0.458 414 HH TYR 56 HH TYR 56 112.777 -12.986 -2.364 415 H SER 57 HN SER 57 107.860 -10.626 3.527 416 HA SER 57 HA SER 57 105.704 -8.743 4.402 417 HB2 SER 57 HB2 SER 57 106.997 -11.141 5.710 418 HB3 SER 57 HB1 SER 57 106.032 -9.990 6.629 419 HG SER 57 HG SER 57 104.266 -10.540 5.473 420 H VAL 58 HN VAL 58 106.264 -6.950 5.619 421 HA VAL 58 HA VAL 58 109.153 -6.453 5.951 422 HB VAL 58 HB VAL 58 108.597 -4.172 6.261 423 HG11 VAL 58 HG11 VAL 58 107.265 -3.662 4.335 424 HG12 VAL 58 HG12 VAL 58 106.397 -5.193 4.450 425 HG13 VAL 58 HG13 VAL 58 108.096 -5.176 3.976 426 HG21 VAL 58 HG21 VAL 58 106.050 -3.607 6.508 427 HG22 VAL 58 HG22 VAL 58 106.948 -4.135 7.931 428 HG23 VAL 58 HG23 VAL 58 105.911 -5.272 7.066 429 H GLU 59 HN GLU 59 110.136 -6.993 7.791 430 HA GLU 59 HA GLU 59 108.607 -6.843 10.355 431 HB2 GLU 59 HB2 GLU 59 110.567 -8.898 9.352 432 HB3 GLU 59 HB1 GLU 59 110.357 -8.640 11.083 433 HG2 GLU 59 HG2 GLU 59 108.206 -9.471 11.094 434 HG3 GLU 59 HG1 GLU 59 107.894 -8.985 9.426 435 HA PRO 60 HA PRO 60 112.002 -3.990 11.083 436 HB2 PRO 60 HB2 PRO 60 111.324 -3.177 13.574 437 HB3 PRO 60 HB1 PRO 60 110.414 -2.666 12.138 438 HG2 PRO 60 HG2 PRO 60 109.767 -4.774 14.140 439 HG3 PRO 60 HG1 PRO 60 108.699 -3.594 13.359 440 HD2 PRO 60 HD2 PRO 60 108.912 -6.230 12.556 441 HD3 PRO 60 HD1 PRO 60 108.408 -4.903 11.483 442 H HIS 61 HN HIS 61 113.987 -4.932 11.449 443 HA HIS 61 HA HIS 61 114.317 -6.788 13.732 444 HB2 HIS 61 HB2 HIS 61 115.315 -7.117 11.348 445 HB3 HIS 61 HB1 HIS 61 116.520 -5.933 11.858 446 HD1 HIS 61 HD1 HIS 61 117.184 -6.659 14.654 447 HD2 HIS 61 HD2 HIS 61 116.445 -9.598 11.787 448 HE1 HIS 61 HE1 HIS 61 118.279 -8.781 15.502 449 HE2 HIS 61 HE2 HIS 61 117.836 -10.575 13.765 450 H ASP 62 HN ASP 62 114.997 -3.547 12.742 451 HA ASP 62 HA ASP 62 115.662 -2.689 15.399 452 HB2 ASP 62 HB2 ASP 62 117.809 -3.818 14.836 453 HB3 ASP 62 HB1 ASP 62 117.969 -2.769 13.427 454 H CYS 63 HN CYS 63 113.859 -1.951 13.330 455 HA CYS 63 HA CYS 63 114.714 0.254 11.748 456 HB2 CYS 63 HB2 CYS 63 111.985 -0.360 12.919 457 HB3 CYS 63 HB1 CYS 63 112.291 0.845 11.668 458 H PHE 64 HN PHE 64 112.755 2.279 12.635 459 HA PHE 64 HA PHE 64 114.324 3.318 14.956 460 HB2 PHE 64 HB2 PHE 64 113.309 5.559 14.131 461 HB3 PHE 64 HB1 PHE 64 114.640 4.844 13.223 462 HD1 PHE 64 HD2 PHE 64 114.185 3.579 11.117 463 HD2 PHE 64 HD1 PHE 64 111.110 5.745 13.191 464 HE1 PHE 64 HE2 PHE 64 112.760 3.498 9.088 465 HE2 PHE 64 HE1 PHE 64 109.686 5.667 11.161 466 HZ PHE 64 HZ PHE 64 110.510 4.543 9.111 467 H VAL 65 HN VAL 65 110.948 3.556 13.675 468 HA VAL 65 HA VAL 65 109.771 4.637 15.981 469 HB VAL 65 HB VAL 65 108.714 2.635 13.978 470 HG11 VAL 65 HG11 VAL 65 106.446 3.339 15.139 471 HG12 VAL 65 HG12 VAL 65 107.482 3.600 16.543 472 HG13 VAL 65 HG13 VAL 65 107.395 2.004 15.796 473 HG21 VAL 65 HG21 VAL 65 107.241 4.604 13.438 474 HG22 VAL 65 HG22 VAL 65 108.957 4.923 13.188 475 HG23 VAL 65 HG23 VAL 65 108.144 5.546 14.624 476 H SER 66 HN SER 66 109.465 1.152 15.310 477 HA SER 66 HA SER 66 110.296 0.585 18.113 478 HB2 SER 66 HB2 SER 66 107.788 0.659 17.998 479 HB3 SER 66 HB1 SER 66 107.846 -0.619 16.788 480 HG SER 66 HG SER 66 107.661 -1.065 19.244 481 H ALA 67 HN ALA 67 111.715 -1.142 18.156 482 HA ALA 67 HA ALA 67 111.524 -3.360 16.321 483 HB1 ALA 67 HB1 ALA 67 113.451 -2.913 14.921 484 HB2 ALA 67 HB2 ALA 67 113.791 -1.419 15.795 485 HB3 ALA 67 HB3 ALA 67 112.350 -1.547 14.793 486 H PHE 68 HN PHE 68 113.815 -4.548 16.341 487 HA PHE 68 HA PHE 68 114.571 -4.737 19.200 488 HB2 PHE 68 HB2 PHE 68 115.582 -6.502 16.965 489 HB3 PHE 68 HB1 PHE 68 115.464 -6.878 18.681 490 HD1 PHE 68 HD1 PHE 68 113.389 -6.075 15.682 491 HD2 PHE 68 HD2 PHE 68 113.536 -7.926 19.552 492 HE1 PHE 68 HE1 PHE 68 111.128 -7.036 15.311 493 HE2 PHE 68 HE2 PHE 68 111.277 -8.881 19.183 494 HZ PHE 68 HZ PHE 68 110.074 -8.434 17.057 495 H ASN 69 HN ASN 69 116.518 -3.931 19.928 496 HA ASN 69 HA ASN 69 118.205 -2.456 18.068 497 HB2 ASN 69 HB2 ASN 69 118.451 -3.068 21.024 498 HB3 ASN 69 HB1 ASN 69 119.622 -2.089 20.139 499 HD21 ASN 69 HD21 ASN 69 118.057 -0.964 22.258 500 HD22 ASN 69 HD22 ASN 69 116.984 0.168 21.590 501 H LEU 70 HN LEU 70 120.770 -2.867 18.720 502 HA LEU 70 HA LEU 70 121.447 -5.306 17.377 503 HB2 LEU 70 HB2 LEU 70 123.102 -3.402 19.056 504 HB3 LEU 70 HB1 LEU 70 123.791 -4.765 18.179 505 HG LEU 70 HG LEU 70 122.077 -2.677 16.817 506 HD11 LEU 70 HD11 LEU 70 124.221 -1.655 16.063 507 HD12 LEU 70 HD12 LEU 70 125.092 -2.735 17.151 508 HD13 LEU 70 HD13 LEU 70 123.994 -1.519 17.806 509 HD21 LEU 70 HD21 LEU 70 122.277 -4.582 15.436 510 HD22 LEU 70 HD22 LEU 70 123.931 -4.895 15.950 511 HD23 LEU 70 HD23 LEU 70 123.583 -3.544 14.875 512 H SER 71 HN SER 71 120.737 -4.577 20.671 513 HA SER 71 HA SER 71 122.092 -6.955 21.743 514 HB2 SER 71 HB2 SER 71 121.098 -6.288 23.875 515 HB3 SER 71 HB1 SER 71 121.808 -4.874 23.101 516 HG SER 71 HG SER 71 119.102 -5.623 23.356 517 H GLY 72 HN GLY 72 119.294 -6.364 20.023 518 HA2 GLY 72 HA2 GLY 72 117.622 -7.913 19.387 519 HA3 GLY 72 HA1 GLY 72 118.261 -9.043 20.584 520 H LYS 73 HN LYS 73 117.641 -5.825 21.666 521 HA LYS 73 HA LYS 73 115.333 -6.849 23.250 522 HB2 LYS 73 HB2 LYS 73 117.251 -4.541 23.604 523 HB3 LYS 73 HB1 LYS 73 115.741 -4.623 24.510 524 HG2 LYS 73 HG2 LYS 73 117.512 -7.042 24.454 525 HG3 LYS 73 HG1 LYS 73 117.960 -5.691 25.496 526 HD2 LYS 73 HD2 LYS 73 115.130 -6.687 25.551 527 HD3 LYS 73 HD1 LYS 73 116.374 -7.599 26.407 528 HE2 LYS 73 HE2 LYS 73 117.027 -5.548 27.630 529 HE3 LYS 73 HE1 LYS 73 115.763 -4.651 26.789 530 HZ1 LYS 73 HZ1 LYS 73 115.466 -6.839 28.754 531 HZ2 LYS 73 HZ2 LYS 73 114.202 -6.412 27.702 532 HZ3 LYS 73 HZ3 LYS 73 114.812 -5.275 28.808 533 H ASN 74 HN ASN 74 113.295 -5.912 23.034 534 HA ASN 74 HA ASN 74 112.890 -4.227 20.662 535 HB2 ASN 74 HB2 ASN 74 111.344 -6.101 21.203 536 HB3 ASN 74 HB1 ASN 74 110.865 -5.252 22.674 537 HD21 ASN 74 HD21 ASN 74 108.954 -5.831 20.615 538 HD22 ASN 74 HD22 ASN 74 108.464 -4.366 19.914 539 H GLU 75 HN GLU 75 113.212 -2.068 20.869 540 HA GLU 75 HA GLU 75 111.849 -0.633 23.065 541 HB2 GLU 75 HB2 GLU 75 114.127 -1.123 23.939 542 HB3 GLU 75 HB1 GLU 75 114.820 -0.313 22.534 543 HG2 GLU 75 HG2 GLU 75 113.717 1.786 23.173 544 HG3 GLU 75 HG1 GLU 75 112.973 0.986 24.558 545 H ASN 76 HN ASN 76 111.169 1.425 22.409 546 HA ASN 76 HA ASN 76 111.149 2.032 19.626 547 HB2 ASN 76 HB2 ASN 76 110.517 3.598 22.119 548 HB3 ASN 76 HB1 ASN 76 110.485 4.389 20.544 549 HD21 ASN 76 HD21 ASN 76 108.037 4.439 21.507 550 HD22 ASN 76 HD22 ASN 76 107.047 3.184 20.934 551 H LEU 77 HN LEU 77 112.318 3.635 18.439 552 HA LEU 77 HA LEU 77 115.019 4.182 19.558 553 HB2 LEU 77 HB2 LEU 77 114.547 3.168 17.209 554 HB3 LEU 77 HB1 LEU 77 114.133 4.819 16.749 555 HG LEU 77 HG LEU 77 116.369 5.564 17.573 556 HD11 LEU 77 HD11 LEU 77 117.976 3.400 17.642 557 HD12 LEU 77 HD12 LEU 77 116.503 2.671 18.277 558 HD13 LEU 77 HD13 LEU 77 117.225 4.057 19.091 559 HD21 LEU 77 HD21 LEU 77 115.927 4.957 15.177 560 HD22 LEU 77 HD22 LEU 77 116.529 3.336 15.529 561 HD23 LEU 77 HD23 LEU 77 117.606 4.725 15.663 562 H GLU 78 HN GLU 78 112.195 5.714 19.771 563 HA GLU 78 HA GLU 78 112.795 8.355 18.760 564 HB2 GLU 78 HB2 GLU 78 110.859 9.096 20.013 565 HB3 GLU 78 HB1 GLU 78 110.484 7.534 19.286 566 HG2 GLU 78 HG2 GLU 78 111.093 6.430 21.441 567 HG3 GLU 78 HG1 GLU 78 111.327 8.025 22.156 568 H ASN 79 HN ASN 79 113.204 6.810 21.943 569 HA ASN 79 HA ASN 79 114.069 9.152 23.333 570 HB2 ASN 79 HB2 ASN 79 115.045 7.599 24.959 571 HB3 ASN 79 HB1 ASN 79 113.461 7.008 24.452 572 HD21 ASN 79 HD21 ASN 79 115.225 5.115 25.479 573 HD22 ASN 79 HD22 ASN 79 115.817 4.128 24.231 574 H LYS 80 HN LYS 80 115.717 6.919 21.183 575 HA LYS 80 HA LYS 80 118.385 7.923 21.775 576 HB2 LYS 80 HB2 LYS 80 118.114 5.663 20.887 577 HB3 LYS 80 HB1 LYS 80 117.317 6.300 19.454 578 HG2 LYS 80 HG2 LYS 80 119.657 5.799 18.940 579 HG3 LYS 80 HG1 LYS 80 119.393 7.537 18.869 580 HD2 LYS 80 HD2 LYS 80 120.442 7.898 20.969 581 HD3 LYS 80 HD1 LYS 80 120.364 6.185 21.387 582 HE2 LYS 80 HE2 LYS 80 122.640 6.711 20.730 583 HE3 LYS 80 HE1 LYS 80 121.914 5.720 19.466 584 HZ1 LYS 80 HZ1 LYS 80 122.022 8.685 19.409 585 HZ2 LYS 80 HZ2 LYS 80 121.493 7.659 18.162 586 HZ3 LYS 80 HZ3 LYS 80 123.131 7.675 18.615 587 H LEU 81 HN LEU 81 116.065 8.357 19.102 588 HA LEU 81 HA LEU 81 117.167 11.060 18.630 589 HB2 LEU 81 HB2 LEU 81 118.378 9.285 17.173 590 HB3 LEU 81 HB1 LEU 81 116.852 9.170 16.298 591 HG LEU 81 HG LEU 81 116.931 11.639 15.918 592 HD11 LEU 81 HD11 LEU 81 119.353 11.303 17.614 593 HD12 LEU 81 HD12 LEU 81 118.267 12.684 17.460 594 HD13 LEU 81 HD13 LEU 81 119.514 12.402 16.248 595 HD21 LEU 81 HD21 LEU 81 119.071 9.775 14.935 596 HD22 LEU 81 HD22 LEU 81 119.108 11.464 14.434 597 HD23 LEU 81 HD23 LEU 81 117.707 10.463 14.056 598 H LYS 82 HN LYS 82 115.415 12.388 18.408 599 HA LYS 82 HA LYS 82 112.762 11.225 17.996 600 HB2 LYS 82 HB2 LYS 82 113.712 14.085 18.334 601 HB3 LYS 82 HB1 LYS 82 112.016 13.630 18.165 602 HG2 LYS 82 HG2 LYS 82 112.171 12.216 20.164 603 HG3 LYS 82 HG1 LYS 82 113.885 12.604 20.323 604 HD2 LYS 82 HD2 LYS 82 113.285 15.011 20.562 605 HD3 LYS 82 HD1 LYS 82 111.579 14.566 20.505 606 HE2 LYS 82 HE2 LYS 82 113.583 13.581 22.560 607 HE3 LYS 82 HE1 LYS 82 112.355 14.816 22.839 608 HZ1 LYS 82 HZ1 LYS 82 112.026 12.153 23.217 609 HZ2 LYS 82 HZ2 LYS 82 111.296 12.404 21.704 610 HZ3 LYS 82 HZ3 LYS 82 110.774 13.285 23.058 611 H LEU 83 HN LEU 83 112.554 10.491 15.891 612 HA LEU 83 HA LEU 83 113.509 12.023 13.607 613 HB2 LEU 83 HB2 LEU 83 111.675 9.623 13.828 614 HB3 LEU 83 HB1 LEU 83 112.205 10.311 12.294 615 HG LEU 83 HG LEU 83 114.083 9.322 14.460 616 HD11 LEU 83 HD11 LEU 83 112.627 7.565 13.292 617 HD12 LEU 83 HD12 LEU 83 114.373 7.333 13.177 618 HD13 LEU 83 HD13 LEU 83 113.479 7.997 11.809 619 HD21 LEU 83 HD21 LEU 83 114.400 10.564 11.750 620 HD22 LEU 83 HD22 LEU 83 115.566 9.340 12.249 621 HD23 LEU 83 HD23 LEU 83 115.363 10.801 13.210 622 H THR 84 HN THR 84 112.067 12.883 11.916 623 HA THR 84 HA THR 84 109.394 13.729 12.965 624 HB THR 84 HB THR 84 109.736 15.948 12.036 625 HG1 THR 84 HG1 THR 84 112.043 16.277 11.280 626 HG21 THR 84 HG21 THR 84 111.225 16.761 13.634 627 HG22 THR 84 HG22 THR 84 112.337 15.408 13.432 628 HG23 THR 84 HG23 THR 84 110.820 15.179 14.301 629 H ASN 85 HN ASN 85 107.862 14.281 11.200 630 HA ASN 85 HA ASN 85 106.778 13.684 9.203 631 HB2 ASN 85 HB2 ASN 85 109.629 14.098 8.302 632 HB3 ASN 85 HB1 ASN 85 108.345 13.693 7.165 633 HD21 ASN 85 HD21 ASN 85 109.677 16.208 6.999 634 HD22 ASN 85 HD22 ASN 85 108.583 17.431 7.431 635 H ILE 86 HN ILE 86 107.130 11.510 10.777 636 HA ILE 86 HA ILE 86 108.560 9.386 9.371 637 HB ILE 86 HB ILE 86 106.631 9.316 11.709 638 HG12 ILE 86 HG12 ILE 86 109.648 9.018 11.653 639 HG13 ILE 86 HG11 ILE 86 108.831 10.545 11.989 640 HG21 ILE 86 HG21 ILE 86 107.914 7.051 12.021 641 HG22 ILE 86 HG22 ILE 86 108.231 7.199 10.292 642 HG23 ILE 86 HG23 ILE 86 106.569 7.125 10.881 643 HD11 ILE 86 HD11 ILE 86 108.535 7.975 13.571 644 HD12 ILE 86 HD12 ILE 86 107.636 9.461 13.881 645 HD13 ILE 86 HD13 ILE 86 109.387 9.428 14.094 646 H ILE 87 HN ILE 87 107.725 8.049 7.846 647 HA ILE 87 HA ILE 87 104.754 8.061 7.416 648 HB ILE 87 HB ILE 87 106.944 7.852 5.327 649 HG12 ILE 87 HG12 ILE 87 106.748 10.138 6.176 650 HG13 ILE 87 HG11 ILE 87 106.054 10.050 4.558 651 HG21 ILE 87 HG21 ILE 87 105.023 8.030 3.735 652 HG22 ILE 87 HG22 ILE 87 103.925 7.883 5.107 653 HG23 ILE 87 HG23 ILE 87 104.999 6.549 4.690 654 HD11 ILE 87 HD11 ILE 87 104.368 11.193 5.659 655 HD12 ILE 87 HD12 ILE 87 104.675 10.382 7.192 656 HD13 ILE 87 HD13 ILE 87 103.822 9.537 5.905 657 H MET 88 HN MET 88 103.914 6.028 7.754 658 HA MET 88 HA MET 88 105.718 3.689 7.226 659 HB2 MET 88 HB2 MET 88 103.536 3.891 9.323 660 HB3 MET 88 HB1 MET 88 104.593 2.507 9.045 661 HG2 MET 88 HG2 MET 88 106.558 3.879 9.609 662 HG3 MET 88 HG1 MET 88 105.517 5.277 9.862 663 HE1 MET 88 HE1 MET 88 106.778 1.964 10.857 664 HE2 MET 88 HE2 MET 88 105.122 1.372 10.959 665 HE3 MET 88 HE3 MET 88 106.075 1.556 12.429 666 H ASP 89 HN ASP 89 104.985 2.961 5.264 667 HA ASP 89 HA ASP 89 102.030 2.570 4.947 668 HB2 ASP 89 HB2 ASP 89 104.232 2.969 2.912 669 HB3 ASP 89 HB1 ASP 89 102.616 2.420 2.473 670 H HIS 90 HN HIS 90 101.750 0.486 5.744 671 HA HIS 90 HA HIS 90 103.681 -1.625 5.292 672 HB2 HIS 90 HB2 HIS 90 100.827 -1.650 6.289 673 HB3 HIS 90 HB1 HIS 90 101.836 -3.094 6.199 674 HD1 HIS 90 HD1 HIS 90 104.256 -2.810 7.513 675 HD2 HIS 90 HD2 HIS 90 101.161 -0.255 8.656 676 HE1 HIS 90 HE1 HIS 90 104.887 -1.891 9.791 677 HE2 HIS 90 HE2 HIS 90 103.010 -0.336 10.493 678 H TYR 91 HN TYR 91 100.664 -0.652 3.700 679 HA TYR 91 HA TYR 91 100.333 -2.978 2.091 680 HB2 TYR 91 HB2 TYR 91 98.574 -1.297 2.232 681 HB3 TYR 91 HB1 TYR 91 99.624 -0.092 1.484 682 HD1 TYR 91 HD1 TYR 91 98.156 -3.486 0.875 683 HD2 TYR 91 HD2 TYR 91 99.645 0.157 -0.848 684 HE1 TYR 91 HE1 TYR 91 97.452 -4.261 -1.374 685 HE2 TYR 91 HE2 TYR 91 98.941 -0.618 -3.095 686 HH TYR 91 HH TYR 91 97.950 -2.220 -4.259 687 H ASN 92 HN ASN 92 102.122 0.047 1.423 688 HA ASN 92 HA ASN 92 103.197 -1.131 -1.061 689 HB2 ASN 92 HB2 ASN 92 103.530 1.558 0.287 690 HB3 ASN 92 HB1 ASN 92 104.457 1.095 -1.141 691 HD21 ASN 92 HD21 ASN 92 102.589 3.264 -1.238 692 HD22 ASN 92 HD22 ASN 92 101.296 2.815 -2.243 693 H ASN 93 HN ASN 93 103.908 -1.291 2.186 694 HA ASN 93 HA ASN 93 105.806 -1.976 3.384 695 HB2 ASN 93 HB2 ASN 93 106.420 -3.072 0.628 696 HB3 ASN 93 HB1 ASN 93 107.384 -3.444 2.056 697 HD21 ASN 93 HD21 ASN 93 105.878 -5.454 0.594 698 HD22 ASN 93 HD22 ASN 93 104.666 -6.039 1.629 699 H THR 94 HN THR 94 105.956 0.706 2.701 700 HA THR 94 HA THR 94 108.876 0.998 2.149 701 HB THR 94 HB THR 94 107.703 1.712 0.132 702 HG1 THR 94 HG1 THR 94 109.464 2.980 0.865 703 HG21 THR 94 HG21 THR 94 106.184 3.606 1.943 704 HG22 THR 94 HG22 THR 94 105.514 2.131 1.243 705 HG23 THR 94 HG23 THR 94 106.006 3.460 0.195 706 H PHE 95 HN PHE 95 109.924 2.382 3.557 707 HA PHE 95 HA PHE 95 108.204 3.917 5.477 708 HB2 PHE 95 HB2 PHE 95 110.739 2.355 6.064 709 HB3 PHE 95 HB1 PHE 95 109.892 3.379 7.225 710 HD1 PHE 95 HD1 PHE 95 109.524 0.371 5.057 711 HD2 PHE 95 HD2 PHE 95 107.968 2.597 8.381 712 HE1 PHE 95 HE1 PHE 95 107.994 -1.506 5.597 713 HE2 PHE 95 HE2 PHE 95 106.436 0.723 8.922 714 HZ PHE 95 HZ PHE 95 106.450 -1.329 7.529 715 H TYR 96 HN TYR 96 108.874 6.012 5.894 716 HA TYR 96 HA TYR 96 111.545 6.863 4.860 717 HB2 TYR 96 HB2 TYR 96 108.954 8.388 4.448 718 HB3 TYR 96 HB1 TYR 96 110.550 8.896 3.920 719 HD1 TYR 96 HD2 TYR 96 111.677 7.803 2.040 720 HD2 TYR 96 HD1 TYR 96 107.757 6.593 3.314 721 HE1 TYR 96 HE2 TYR 96 111.368 6.564 -0.086 722 HE2 TYR 96 HE1 TYR 96 107.447 5.356 1.187 723 HH TYR 96 HH TYR 96 108.855 5.804 -1.418 724 H SER 97 HN SER 97 112.492 8.565 6.075 725 HA SER 97 HA SER 97 110.929 9.878 8.192 726 HB2 SER 97 HB2 SER 97 112.611 9.175 9.954 727 HB3 SER 97 HB1 SER 97 111.538 7.892 9.404 728 HG SER 97 HG SER 97 113.562 7.052 9.313 729 H ARG 98 HN ARG 98 112.071 11.735 9.061 730 HA ARG 98 HA ARG 98 114.259 12.642 7.254 731 HB2 ARG 98 HB2 ARG 98 112.217 14.053 8.948 732 HB3 ARG 98 HB1 ARG 98 113.707 14.890 8.514 733 HG2 ARG 98 HG2 ARG 98 111.877 15.317 6.877 734 HG3 ARG 98 HG1 ARG 98 113.260 14.511 6.136 735 HD2 ARG 98 HD2 ARG 98 111.118 12.773 7.262 736 HD3 ARG 98 HD1 ARG 98 110.750 13.632 5.778 737 HE ARG 98 HE ARG 98 113.313 12.435 5.468 738 HH11 ARG 98 HH21 ARG 98 110.097 11.395 6.173 739 HH12 ARG 98 HH22 ARG 98 110.232 9.937 5.253 740 HH21 ARG 98 HH11 ARG 98 113.498 10.546 4.263 741 HH22 ARG 98 HH12 ARG 98 112.157 9.457 4.168 742 H LEU 99 HN LEU 99 116.286 13.088 8.042 743 HA LEU 99 HA LEU 99 116.877 12.240 10.799 744 HB2 LEU 99 HB2 LEU 99 118.612 13.061 8.469 745 HB3 LEU 99 HB1 LEU 99 119.268 12.667 10.047 746 HG LEU 99 HG LEU 99 117.594 10.810 8.346 747 HD11 LEU 99 HD11 LEU 99 119.955 9.569 8.576 748 HD12 LEU 99 HD12 LEU 99 120.533 11.226 8.729 749 HD13 LEU 99 HD13 LEU 99 119.648 10.733 7.286 750 HD21 LEU 99 HD21 LEU 99 118.702 9.215 10.188 751 HD22 LEU 99 HD22 LEU 99 117.172 10.035 10.486 752 HD23 LEU 99 HD23 LEU 99 118.670 10.702 11.137 753 HA PRO 100 HA PRO 100 116.696 16.362 12.542 754 HB2 PRO 100 HB2 PRO 100 119.151 15.437 13.989 755 HB3 PRO 100 HB1 PRO 100 117.688 16.208 14.634 756 HG2 PRO 100 HG2 PRO 100 118.140 13.587 14.892 757 HG3 PRO 100 HG1 PRO 100 116.512 14.247 14.680 758 HD2 PRO 100 HD2 PRO 100 118.163 12.702 12.760 759 HD3 PRO 100 HD1 PRO 100 116.400 12.901 12.836 760 H SER 101 HN SER 101 117.970 18.345 12.409 761 HA SER 101 HA SER 101 119.686 18.486 10.129 762 HB2 SER 101 HB2 SER 101 118.323 20.371 11.238 763 HB3 SER 101 HB1 SER 101 119.675 20.520 12.356 764 HG SER 101 HG SER 101 120.404 21.769 10.806 765 H LEU 102 HN LEU 102 120.405 18.462 13.625 766 HA LEU 102 HA LEU 102 123.306 18.249 12.950 767 HB2 LEU 102 HB2 LEU 102 122.560 20.047 14.526 768 HB3 LEU 102 HB1 LEU 102 122.006 18.791 15.631 769 HG LEU 102 HG LEU 102 124.312 17.870 15.710 770 HD11 LEU 102 HD11 LEU 102 124.727 20.060 13.711 771 HD12 LEU 102 HD12 LEU 102 125.418 18.438 13.756 772 HD13 LEU 102 HD13 LEU 102 126.043 19.691 14.825 773 HD21 LEU 102 HD21 LEU 102 123.521 19.574 17.359 774 HD22 LEU 102 HD22 LEU 102 124.184 20.840 16.326 775 HD23 LEU 102 HD23 LEU 102 125.261 19.663 17.079 776 H ILE 103 HN ILE 103 124.295 16.299 13.171 777 HA ILE 103 HA ILE 103 123.370 14.373 15.197 778 HB ILE 103 HB ILE 103 123.381 13.723 12.231 779 HG12 ILE 103 HG12 ILE 103 121.144 13.577 14.280 780 HG13 ILE 103 HG11 ILE 103 121.337 14.884 13.118 781 HG21 ILE 103 HG21 ILE 103 123.039 11.967 14.679 782 HG22 ILE 103 HG22 ILE 103 124.314 11.856 13.467 783 HG23 ILE 103 HG23 ILE 103 122.651 11.450 13.038 784 HD11 ILE 103 HD11 ILE 103 119.985 13.614 11.837 785 HD12 ILE 103 HD12 ILE 103 120.405 12.121 12.676 786 HD13 ILE 103 HD13 ILE 103 121.477 12.771 11.437 787 H SER 104 HN SER 104 125.374 14.252 16.180 788 HA SER 104 HA SER 104 127.744 13.769 14.419 789 HB2 SER 104 HB2 SER 104 129.095 14.516 16.325 790 HB3 SER 104 HB1 SER 104 127.885 15.734 15.928 791 HG SER 104 HG SER 104 126.723 14.106 17.599 792 H ASP 105 HN ASP 105 125.537 12.057 16.160 793 HA ASP 105 HA ASP 105 127.357 10.240 17.549 794 HB2 ASP 105 HB2 ASP 105 124.393 10.256 17.009 795 HB3 ASP 105 HB1 ASP 105 125.184 8.852 17.731 796 H ASN 106 HN ASN 106 127.745 8.043 16.948 797 HA ASN 106 HA ASN 106 127.619 7.584 14.007 798 HB2 ASN 106 HB2 ASN 106 129.211 6.244 16.215 799 HB3 ASN 106 HB1 ASN 106 129.234 5.718 14.532 800 HD21 ASN 106 HD21 ASN 106 131.535 6.802 16.029 801 HD22 ASN 106 HD22 ASN 106 132.013 8.218 15.223 802 H TRP 107 HN TRP 107 125.263 7.276 15.746 803 HA TRP 107 HA TRP 107 124.831 4.526 16.396 804 HB2 TRP 107 HB2 TRP 107 122.455 5.125 16.548 805 HB3 TRP 107 HB1 TRP 107 123.452 6.354 17.322 806 HD1 TRP 107 HD1 TRP 107 124.061 8.527 15.662 807 HE1 TRP 107 HE1 TRP 107 122.507 9.752 14.026 808 HE3 TRP 107 HE3 TRP 107 120.475 4.951 15.033 809 HZ2 TRP 107 HZ2 TRP 107 120.051 9.278 12.627 810 HZ3 TRP 107 HZ3 TRP 107 118.537 5.367 13.546 811 HH2 TRP 107 HH2 TRP 107 118.321 7.521 12.341 812 H LYS 108 HN LYS 108 123.387 3.025 15.317 813 HA LYS 108 HA LYS 108 122.980 3.467 12.407 814 HB2 LYS 108 HB2 LYS 108 124.015 1.368 11.818 815 HB3 LYS 108 HB1 LYS 108 125.178 2.264 12.793 816 HG2 LYS 108 HG2 LYS 108 125.300 0.352 14.020 817 HG3 LYS 108 HG1 LYS 108 123.793 0.916 14.739 818 HD2 LYS 108 HD2 LYS 108 123.224 -1.249 14.060 819 HD3 LYS 108 HD1 LYS 108 122.673 -0.283 12.693 820 HE2 LYS 108 HE2 LYS 108 124.696 -0.785 11.449 821 HE3 LYS 108 HE1 LYS 108 125.392 -1.612 12.842 822 HZ1 LYS 108 HZ1 LYS 108 123.132 -2.453 11.139 823 HZ2 LYS 108 HZ2 LYS 108 123.320 -3.073 12.709 824 HZ3 LYS 108 HZ3 LYS 108 124.534 -3.318 11.546 825 H PHE 109 HN PHE 109 121.361 1.936 11.519 826 HA PHE 109 HA PHE 109 119.927 0.228 13.436 827 HB2 PHE 109 HB2 PHE 109 117.827 1.378 13.357 828 HB3 PHE 109 HB1 PHE 109 119.031 2.590 13.773 829 HD1 PHE 109 HD2 PHE 109 119.826 4.213 12.065 830 HD2 PHE 109 HD1 PHE 109 116.659 1.427 11.254 831 HE1 PHE 109 HE2 PHE 109 119.158 5.548 10.085 832 HE2 PHE 109 HE1 PHE 109 115.990 2.762 9.275 833 HZ PHE 109 HZ PHE 109 117.240 4.823 8.690 834 H PHE 110 HN PHE 110 118.222 -1.069 12.268 835 HA PHE 110 HA PHE 110 118.353 -0.888 9.323 836 HB2 PHE 110 HB2 PHE 110 118.960 -3.375 9.237 837 HB3 PHE 110 HB1 PHE 110 120.258 -2.262 9.670 838 HD1 PHE 110 HD2 PHE 110 120.703 -1.859 12.179 839 HD2 PHE 110 HD1 PHE 110 118.342 -5.127 10.696 840 HE1 PHE 110 HE2 PHE 110 121.018 -3.060 14.324 841 HE2 PHE 110 HE1 PHE 110 118.661 -6.328 12.842 842 HZ PHE 110 HZ PHE 110 119.998 -5.297 14.655 843 H CYS 111 HN CYS 111 116.837 -2.302 8.244 844 HA CYS 111 HA CYS 111 114.623 -3.310 9.988 845 HB2 CYS 111 HB2 CYS 111 114.445 -1.825 7.345 846 HB3 CYS 111 HB1 CYS 111 113.080 -2.650 8.099 847 H VAL 112 HN VAL 112 113.489 -5.201 9.018 848 HA VAL 112 HA VAL 112 115.122 -6.515 6.872 849 HB VAL 112 HB VAL 112 114.110 -7.677 9.463 850 HG11 VAL 112 HG11 VAL 112 115.147 -9.828 8.424 851 HG12 VAL 112 HG12 VAL 112 114.887 -9.019 6.878 852 HG13 VAL 112 HG13 VAL 112 113.517 -9.366 7.934 853 HG21 VAL 112 HG21 VAL 112 116.455 -8.288 9.748 854 HG22 VAL 112 HG22 VAL 112 116.349 -6.561 9.399 855 HG23 VAL 112 HG23 VAL 112 116.833 -7.686 8.134 856 H CYS 113 HN CYS 113 114.047 -7.674 5.361 857 HA CYS 113 HA CYS 113 111.061 -7.835 5.541 858 HB2 CYS 113 HB2 CYS 113 112.816 -7.360 3.103 859 HB3 CYS 113 HB1 CYS 113 111.087 -7.682 3.028 860 H SER 114 HN SER 114 110.313 -9.993 5.311 861 HA SER 114 HA SER 114 111.833 -11.928 3.760 862 HB2 SER 114 HB2 SER 114 112.386 -13.384 5.741 863 HB3 SER 114 HB1 SER 114 113.312 -11.886 5.662 864 HG SER 114 HG SER 114 110.962 -11.537 6.962 865 H LYS 115 HN LYS 115 111.039 -14.245 4.406 866 HA LYS 115 HA LYS 115 108.336 -14.443 5.489 867 HB2 LYS 115 HB2 LYS 115 108.860 -14.822 2.529 868 HB3 LYS 115 HB1 LYS 115 107.457 -15.505 3.345 869 HG2 LYS 115 HG2 LYS 115 107.100 -13.042 4.187 870 HG3 LYS 115 HG1 LYS 115 108.126 -12.627 2.816 871 HD2 LYS 115 HD2 LYS 115 105.548 -14.225 2.708 872 HD3 LYS 115 HD1 LYS 115 105.776 -12.577 2.124 873 HE2 LYS 115 HE2 LYS 115 107.486 -13.414 0.516 874 HE3 LYS 115 HE1 LYS 115 107.151 -15.059 1.057 875 HZ1 LYS 115 HZ1 LYS 115 105.426 -15.141 -0.299 876 HZ2 LYS 115 HZ2 LYS 115 105.786 -13.581 -0.865 877 HZ3 LYS 115 HZ3 LYS 115 104.725 -13.788 0.446 878 H ASP 116 HN ASP 116 107.648 -16.849 5.322 879 HA ASP 116 HA ASP 116 109.760 -18.518 6.247 880 HB2 ASP 116 HB2 ASP 116 108.168 -20.385 5.924 881 HB3 ASP 116 HB1 ASP 116 107.384 -19.005 6.692 882 H ASN 117 HN ASN 117 110.875 -20.254 5.165 883 HA ASN 117 HA ASN 117 112.245 -20.931 3.348 884 HB2 ASN 117 HB2 ASN 117 110.079 -22.214 3.115 885 HB3 ASN 117 HB1 ASN 117 109.553 -20.992 1.957 886 HD21 ASN 117 HD21 ASN 117 109.877 -23.693 1.122 887 HD22 ASN 117 HD22 ASN 117 111.203 -23.782 0.067 888 H GLU 118 HN GLU 118 112.730 -18.337 3.390 889 HA GLU 118 HA GLU 118 112.796 -17.560 0.571 890 HB2 GLU 118 HB2 GLU 118 111.146 -16.067 2.604 891 HB3 GLU 118 HB1 GLU 118 111.828 -15.234 1.213 892 HG2 GLU 118 HG2 GLU 118 109.977 -17.628 1.103 893 HG3 GLU 118 HG1 GLU 118 109.535 -15.984 0.731 894 H LYS 119 HN LYS 119 114.611 -16.316 0.155 895 HA LYS 119 HA LYS 119 116.668 -16.055 2.056 896 HB2 LYS 119 HB2 LYS 119 116.115 -14.400 -0.427 897 HB3 LYS 119 HB1 LYS 119 117.630 -14.351 0.473 898 HG2 LYS 119 HG2 LYS 119 117.938 -16.775 0.082 899 HG3 LYS 119 HG1 LYS 119 116.433 -16.811 -0.839 900 HD2 LYS 119 HD2 LYS 119 117.358 -15.237 -2.470 901 HD3 LYS 119 HD1 LYS 119 118.845 -15.109 -1.534 902 HE2 LYS 119 HE2 LYS 119 119.155 -16.676 -3.399 903 HE3 LYS 119 HE1 LYS 119 119.243 -17.534 -1.861 904 HZ1 LYS 119 HZ1 LYS 119 117.340 -17.794 -3.988 905 HZ2 LYS 119 HZ2 LYS 119 116.598 -17.583 -2.473 906 HZ3 LYS 119 HZ3 LYS 119 117.693 -18.860 -2.717 907 H LYS 120 HN LYS 120 117.235 -14.422 3.525 908 HA LYS 120 HA LYS 120 115.084 -12.510 4.175 909 HB2 LYS 120 HB2 LYS 120 116.337 -12.094 6.225 910 HB3 LYS 120 HB1 LYS 120 116.199 -13.833 5.968 911 HG2 LYS 120 HG2 LYS 120 118.465 -13.862 4.985 912 HG3 LYS 120 HG1 LYS 120 118.607 -12.128 5.257 913 HD2 LYS 120 HD2 LYS 120 119.674 -13.017 7.145 914 HD3 LYS 120 HD1 LYS 120 118.040 -12.717 7.736 915 HE2 LYS 120 HE2 LYS 120 117.431 -15.034 7.453 916 HE3 LYS 120 HE1 LYS 120 118.941 -15.382 6.610 917 HZ1 LYS 120 HZ1 LYS 120 120.060 -14.592 8.728 918 HZ2 LYS 120 HZ2 LYS 120 119.284 -16.102 8.788 919 HZ3 LYS 120 HZ3 LYS 120 118.540 -14.733 9.468 920 H LEU 121 HN LEU 121 115.233 -10.303 3.956 921 HA LEU 121 HA LEU 121 117.685 -9.254 2.588 922 HB2 LEU 121 HB2 LEU 121 114.884 -8.089 2.567 923 HB3 LEU 121 HB1 LEU 121 116.250 -7.563 1.589 924 HG LEU 121 HG LEU 121 114.969 -10.310 1.455 925 HD11 LEU 121 HD11 LEU 121 114.777 -7.888 -0.360 926 HD12 LEU 121 HD12 LEU 121 113.461 -8.652 0.530 927 HD13 LEU 121 HD13 LEU 121 114.227 -9.502 -0.811 928 HD21 LEU 121 HD21 LEU 121 117.233 -10.553 0.799 929 HD22 LEU 121 HD22 LEU 121 117.262 -8.975 0.011 930 HD23 LEU 121 HD23 LEU 121 116.375 -10.313 -0.719 931 H VAL 122 HN VAL 122 118.910 -7.901 3.851 932 HA VAL 122 HA VAL 122 117.586 -6.652 6.222 933 HB VAL 122 HB VAL 122 120.451 -7.421 5.661 934 HG11 VAL 122 HG11 VAL 122 120.649 -5.286 6.702 935 HG12 VAL 122 HG12 VAL 122 120.831 -6.455 8.009 936 HG13 VAL 122 HG13 VAL 122 119.299 -5.608 7.790 937 HG21 VAL 122 HG21 VAL 122 118.431 -8.880 6.742 938 HG22 VAL 122 HG22 VAL 122 119.042 -8.085 8.193 939 HG23 VAL 122 HG23 VAL 122 120.119 -9.074 7.210 940 H PHE 123 HN PHE 123 117.407 -4.486 6.312 941 HA PHE 123 HA PHE 123 118.851 -2.840 4.270 942 HB2 PHE 123 HB2 PHE 123 116.462 -2.619 4.016 943 HB3 PHE 123 HB1 PHE 123 116.236 -2.435 5.754 944 HD1 PHE 123 HD1 PHE 123 118.096 -0.844 2.913 945 HD2 PHE 123 HD2 PHE 123 116.025 -0.288 6.632 946 HE1 PHE 123 HE1 PHE 123 118.337 1.613 2.677 947 HE2 PHE 123 HE2 PHE 123 116.268 2.169 6.400 948 HZ PHE 123 HZ PHE 123 117.423 3.120 4.423 949 H THR 124 HN THR 124 120.558 -1.690 5.170 950 HA THR 124 HA THR 124 120.206 -0.728 7.982 951 HB THR 124 HB THR 124 121.581 -2.882 7.796 952 HG1 THR 124 HG1 THR 124 122.704 -0.523 8.893 953 HG21 THR 124 HG21 THR 124 123.704 -0.968 6.812 954 HG22 THR 124 HG22 THR 124 122.807 -2.036 5.733 955 HG23 THR 124 HG23 THR 124 123.829 -2.717 6.994 956 H VAL 125 HN VAL 125 121.147 1.205 8.483 957 HA VAL 125 HA VAL 125 122.857 2.542 6.448 958 HB VAL 125 HB VAL 125 121.573 4.553 6.482 959 HG11 VAL 125 HG11 VAL 125 120.604 2.421 5.293 960 HG12 VAL 125 HG12 VAL 125 119.607 3.870 5.422 961 HG13 VAL 125 HG13 VAL 125 119.356 2.526 6.535 962 HG21 VAL 125 HG21 VAL 125 121.048 4.749 8.816 963 HG22 VAL 125 HG22 VAL 125 120.105 3.259 8.795 964 HG23 VAL 125 HG23 VAL 125 119.505 4.695 7.964 965 H GLU 126 HN GLU 126 124.117 4.351 7.460 966 HA GLU 126 HA GLU 126 124.296 4.055 10.441 967 HB2 GLU 126 HB2 GLU 126 126.567 4.250 8.439 968 HB3 GLU 126 HB1 GLU 126 126.768 4.337 10.190 969 HG2 GLU 126 HG2 GLU 126 127.153 2.067 9.764 970 HG3 GLU 126 HG1 GLU 126 125.443 2.080 10.194 971 H ALA 127 HN ALA 127 124.816 5.950 11.587 972 HA ALA 127 HA ALA 127 125.341 8.437 10.090 973 HB1 ALA 127 HB1 ALA 127 123.383 9.480 11.525 974 HB2 ALA 127 HB2 ALA 127 122.762 7.829 11.499 975 HB3 ALA 127 HB3 ALA 127 123.028 8.696 9.986 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 114.511 14.511 -6.294 2 H2 GLU 1 HT2 GLU 1 115.615 15.762 -6.615 3 H3 GLU 1 HT3 GLU 1 114.429 15.959 -5.415 4 HA GLU 1 HA GLU 1 117.009 14.718 -5.253 5 HB2 GLU 1 HB2 GLU 1 114.933 15.636 -3.239 6 HB3 GLU 1 HB1 GLU 1 116.566 15.115 -2.824 7 HG2 GLU 1 HG2 GLU 1 115.905 17.407 -4.698 8 HG3 GLU 1 HG1 GLU 1 116.393 17.590 -3.013 9 H LYS 2 HN LYS 2 117.332 12.553 -5.141 10 HA LYS 2 HA LYS 2 115.078 10.738 -4.711 11 HB2 LYS 2 HB2 LYS 2 118.045 10.213 -5.069 12 HB3 LYS 2 HB1 LYS 2 116.808 8.958 -4.986 13 HG2 LYS 2 HG2 LYS 2 115.669 9.973 -6.946 14 HG3 LYS 2 HG1 LYS 2 116.954 11.177 -7.048 15 HD2 LYS 2 HD2 LYS 2 117.746 9.606 -8.559 16 HD3 LYS 2 HD1 LYS 2 118.514 9.030 -7.079 17 HE2 LYS 2 HE2 LYS 2 117.502 7.115 -8.131 18 HE3 LYS 2 HE1 LYS 2 116.500 7.525 -6.740 19 HZ1 LYS 2 HZ1 LYS 2 115.877 8.729 -9.341 20 HZ2 LYS 2 HZ2 LYS 2 114.840 8.344 -8.052 21 HZ3 LYS 2 HZ3 LYS 2 115.433 7.116 -9.065 22 H VAL 3 HN VAL 3 115.141 9.063 -2.997 23 HA VAL 3 HA VAL 3 116.119 10.244 -0.453 24 HB VAL 3 HB VAL 3 114.166 8.003 -1.051 25 HG11 VAL 3 HG11 VAL 3 115.153 9.131 1.582 26 HG12 VAL 3 HG12 VAL 3 115.292 7.469 1.019 27 HG13 VAL 3 HG13 VAL 3 113.711 8.131 1.428 28 HG21 VAL 3 HG21 VAL 3 113.037 10.008 -1.479 29 HG22 VAL 3 HG22 VAL 3 113.940 10.891 -0.250 30 HG23 VAL 3 HG23 VAL 3 112.685 9.753 0.230 31 H LYS 4 HN LYS 4 117.732 9.279 0.742 32 HA LYS 4 HA LYS 4 119.317 7.189 -0.471 33 HB2 LYS 4 HB2 LYS 4 119.339 8.559 2.213 34 HB3 LYS 4 HB1 LYS 4 120.352 7.143 1.930 35 HG2 LYS 4 HG2 LYS 4 121.611 9.195 1.451 36 HG3 LYS 4 HG1 LYS 4 121.364 8.271 -0.030 37 HD2 LYS 4 HD2 LYS 4 119.522 9.710 -0.684 38 HD3 LYS 4 HD1 LYS 4 119.603 10.575 0.851 39 HE2 LYS 4 HE2 LYS 4 121.881 11.341 0.298 40 HE3 LYS 4 HE1 LYS 4 121.801 10.472 -1.234 41 HZ1 LYS 4 HZ1 LYS 4 119.527 11.955 -1.218 42 HZ2 LYS 4 HZ2 LYS 4 120.956 12.344 -2.051 43 HZ3 LYS 4 HZ3 LYS 4 120.660 13.000 -0.512 44 H GLY 5 HN GLY 5 118.945 5.027 -0.371 45 HA2 GLY 5 HA2 GLY 5 118.121 3.596 1.917 46 HA3 GLY 5 HA1 GLY 5 116.664 3.976 1.001 47 H CYS 6 HN CYS 6 116.736 1.473 0.937 48 HA CYS 6 HA CYS 6 118.238 0.651 -1.521 49 HB2 CYS 6 HB2 CYS 6 118.954 -0.310 0.802 50 HB3 CYS 6 HB1 CYS 6 117.505 -1.298 0.644 51 H ASP 7 HN ASP 7 116.981 -0.218 -3.087 52 HA ASP 7 HA ASP 7 114.120 -0.768 -2.428 53 HB2 ASP 7 HB2 ASP 7 114.708 1.015 -4.156 54 HB3 ASP 7 HB1 ASP 7 115.298 -0.297 -5.177 55 H PHE 8 HN PHE 8 113.896 -2.936 -2.069 56 HA PHE 8 HA PHE 8 115.561 -4.865 -3.564 57 HB2 PHE 8 HB2 PHE 8 113.395 -5.301 -1.479 58 HB3 PHE 8 HB1 PHE 8 114.447 -6.554 -2.136 59 HD1 PHE 8 HD2 PHE 8 116.894 -6.510 -1.669 60 HD2 PHE 8 HD1 PHE 8 114.176 -3.730 0.155 61 HE1 PHE 8 HE2 PHE 8 118.614 -5.937 0.024 62 HE2 PHE 8 HE1 PHE 8 115.893 -3.159 1.847 63 HZ PHE 8 HZ PHE 8 118.113 -4.261 1.782 64 H THR 9 HN THR 9 112.852 -3.156 -4.235 65 HA THR 9 HA THR 9 111.441 -5.392 -5.602 66 HB THR 9 HB THR 9 110.583 -2.516 -5.176 67 HG1 THR 9 HG1 THR 9 110.761 -3.763 -3.257 68 HG21 THR 9 HG21 THR 9 109.323 -4.928 -6.438 69 HG22 THR 9 HG22 THR 9 109.310 -3.250 -6.982 70 HG23 THR 9 HG23 THR 9 108.301 -3.744 -5.622 71 H THR 10 HN THR 10 113.541 -2.729 -6.284 72 HA THR 10 HA THR 10 113.403 -3.375 -9.143 73 HB THR 10 HB THR 10 112.721 -0.574 -8.205 74 HG1 THR 10 HG1 THR 10 110.814 -1.646 -9.650 75 HG21 THR 10 HG21 THR 10 113.765 -0.326 -10.284 76 HG22 THR 10 HG22 THR 10 112.069 -0.492 -10.735 77 HG23 THR 10 HG23 THR 10 113.159 -1.870 -10.881 78 H SER 11 HN SER 11 115.456 -3.243 -9.935 79 HA SER 11 HA SER 11 117.623 -2.265 -8.326 80 HB2 SER 11 HB2 SER 11 117.606 -3.958 -10.339 81 HB3 SER 11 HB1 SER 11 117.822 -2.510 -11.317 82 HG SER 11 HG SER 11 119.810 -2.418 -10.657 83 H GLU 12 HN GLU 12 115.508 -0.787 -10.660 84 HA GLU 12 HA GLU 12 117.113 1.738 -10.505 85 HB2 GLU 12 HB2 GLU 12 115.157 0.769 -12.616 86 HB3 GLU 12 HB1 GLU 12 115.887 2.374 -12.600 87 HG2 GLU 12 HG2 GLU 12 117.440 -0.230 -12.680 88 HG3 GLU 12 HG1 GLU 12 117.120 0.794 -14.080 89 H SER 13 HN SER 13 115.935 1.923 -8.350 90 HA SER 13 HA SER 13 113.080 2.270 -8.312 91 HB2 SER 13 HB2 SER 13 114.434 1.750 -6.294 92 HB3 SER 13 HB1 SER 13 115.155 3.354 -6.388 93 HG SER 13 HG SER 13 112.427 2.675 -5.985 94 H THR 14 HN THR 14 111.883 4.215 -8.159 95 HA THR 14 HA THR 14 113.207 6.545 -9.468 96 HB THR 14 HB THR 14 111.251 5.995 -10.674 97 HG1 THR 14 HG1 THR 14 109.677 7.624 -9.833 98 HG21 THR 14 HG21 THR 14 110.125 5.392 -7.952 99 HG22 THR 14 HG22 THR 14 110.189 4.356 -9.378 100 HG23 THR 14 HG23 THR 14 109.045 5.696 -9.312 101 H ILE 15 HN ILE 15 112.616 5.427 -6.456 102 HA ILE 15 HA ILE 15 112.229 8.183 -5.355 103 HB ILE 15 HB ILE 15 111.219 6.956 -3.342 104 HG12 ILE 15 HG12 ILE 15 110.684 4.774 -5.350 105 HG13 ILE 15 HG11 ILE 15 112.110 4.713 -4.317 106 HG21 ILE 15 HG21 ILE 15 109.783 8.234 -4.776 107 HG22 ILE 15 HG22 ILE 15 109.005 6.664 -4.570 108 HG23 ILE 15 HG23 ILE 15 109.881 7.025 -6.058 109 HD11 ILE 15 HD11 ILE 15 109.229 4.890 -3.394 110 HD12 ILE 15 HD12 ILE 15 110.628 4.963 -2.323 111 HD13 ILE 15 HD13 ILE 15 110.294 3.492 -3.238 112 H PHE 16 HN PHE 16 114.051 5.202 -5.280 113 HA PHE 16 HA PHE 16 115.706 6.325 -3.052 114 HB2 PHE 16 HB2 PHE 16 115.169 3.469 -3.879 115 HB3 PHE 16 HB1 PHE 16 116.499 3.907 -2.808 116 HD1 PHE 16 HD2 PHE 16 115.899 5.362 -0.722 117 HD2 PHE 16 HD1 PHE 16 113.021 3.130 -2.998 118 HE1 PHE 16 HE2 PHE 16 114.326 5.435 1.189 119 HE2 PHE 16 HE1 PHE 16 111.446 3.219 -1.087 120 HZ PHE 16 HZ PHE 16 112.100 4.367 1.007 121 H SER 17 HN SER 17 117.842 6.673 -3.421 122 HA SER 17 HA SER 17 118.814 6.776 -6.117 123 HB2 SER 17 HB2 SER 17 119.619 8.267 -4.303 124 HB3 SER 17 HB1 SER 17 120.395 6.885 -3.535 125 HG SER 17 HG SER 17 121.856 8.019 -4.859 126 H LYS 18 HN LYS 18 118.772 4.193 -3.810 127 HA LYS 18 HA LYS 18 120.617 2.648 -5.598 128 HB2 LYS 18 HB2 LYS 18 120.445 2.439 -2.577 129 HB3 LYS 18 HB1 LYS 18 121.514 1.508 -3.624 130 HG2 LYS 18 HG2 LYS 18 121.568 4.528 -3.594 131 HG3 LYS 18 HG1 LYS 18 122.527 3.576 -2.463 132 HD2 LYS 18 HD2 LYS 18 123.583 2.397 -4.382 133 HD3 LYS 18 HD1 LYS 18 122.666 3.415 -5.491 134 HE2 LYS 18 HE2 LYS 18 123.728 5.421 -4.550 135 HE3 LYS 18 HE1 LYS 18 124.643 4.415 -3.426 136 HZ1 LYS 18 HZ1 LYS 18 125.502 5.141 -5.863 137 HZ2 LYS 18 HZ2 LYS 18 124.838 3.612 -6.193 138 HZ3 LYS 18 HZ3 LYS 18 126.056 3.778 -5.020 139 H GLY 19 HN GLY 19 119.987 0.586 -6.101 140 HA2 GLY 19 HA2 GLY 19 117.799 -0.701 -4.610 141 HA3 GLY 19 HA1 GLY 19 117.420 -0.259 -6.276 142 H TYR 20 HN TYR 20 117.468 -2.951 -5.391 143 HA TYR 20 HA TYR 20 119.889 -4.007 -6.808 144 HB2 TYR 20 HB2 TYR 20 118.323 -5.089 -4.463 145 HB3 TYR 20 HB1 TYR 20 119.340 -6.136 -5.452 146 HD1 TYR 20 HD1 TYR 20 119.435 -2.917 -3.534 147 HD2 TYR 20 HD2 TYR 20 121.634 -6.298 -5.012 148 HE1 TYR 20 HE1 TYR 20 121.438 -2.165 -2.278 149 HE2 TYR 20 HE2 TYR 20 123.635 -5.546 -3.757 150 HH TYR 20 HH TYR 20 123.618 -2.494 -1.930 151 H SER 21 HN SER 21 119.518 -5.905 -8.129 152 HA SER 21 HA SER 21 116.827 -5.885 -9.362 153 HB2 SER 21 HB2 SER 21 118.814 -5.820 -10.836 154 HB3 SER 21 HB1 SER 21 119.365 -7.349 -10.160 155 HG SER 21 HG SER 21 116.865 -7.701 -10.884 156 H ILE 22 HN ILE 22 115.581 -7.854 -9.588 157 HA ILE 22 HA ILE 22 115.425 -9.475 -7.295 158 HB ILE 22 HB ILE 22 114.037 -10.999 -8.655 159 HG12 ILE 22 HG12 ILE 22 114.890 -9.252 -10.984 160 HG13 ILE 22 HG11 ILE 22 115.466 -10.895 -10.704 161 HG21 ILE 22 HG21 ILE 22 113.205 -8.760 -7.806 162 HG22 ILE 22 HG22 ILE 22 112.326 -9.401 -9.194 163 HG23 ILE 22 HG23 ILE 22 113.513 -8.117 -9.419 164 HD11 ILE 22 HD11 ILE 22 112.584 -10.070 -11.146 165 HD12 ILE 22 HD12 ILE 22 113.124 -11.711 -10.789 166 HD13 ILE 22 HD13 ILE 22 113.607 -10.931 -12.295 167 H ASN 23 HN ASN 23 117.355 -9.889 -10.221 168 HA ASN 23 HA ASN 23 118.146 -12.608 -9.693 169 HB2 ASN 23 HB2 ASN 23 118.395 -11.586 -11.918 170 HB3 ASN 23 HB1 ASN 23 119.565 -10.438 -11.266 171 HD21 ASN 23 HD21 ASN 23 121.619 -11.089 -11.927 172 HD22 ASN 23 HD22 ASN 23 122.185 -12.688 -11.908 173 H GLU 24 HN GLU 24 119.659 -9.461 -8.958 174 HA GLU 24 HA GLU 24 122.055 -10.426 -7.823 175 HB2 GLU 24 HB2 GLU 24 120.397 -7.985 -7.141 176 HB3 GLU 24 HB1 GLU 24 122.007 -8.280 -6.484 177 HG2 GLU 24 HG2 GLU 24 121.365 -8.163 -9.445 178 HG3 GLU 24 HG1 GLU 24 122.035 -6.820 -8.518 179 H ILE 25 HN ILE 25 118.874 -9.923 -6.261 180 HA ILE 25 HA ILE 25 119.917 -10.869 -3.694 181 HB ILE 25 HB ILE 25 117.551 -10.713 -2.952 182 HG12 ILE 25 HG12 ILE 25 117.032 -9.820 -5.799 183 HG13 ILE 25 HG11 ILE 25 116.580 -11.402 -5.163 184 HG21 ILE 25 HG21 ILE 25 117.498 -8.365 -2.952 185 HG22 ILE 25 HG22 ILE 25 118.158 -8.255 -4.585 186 HG23 ILE 25 HG23 ILE 25 119.204 -8.710 -3.239 187 HD11 ILE 25 HD11 ILE 25 115.240 -10.239 -3.385 188 HD12 ILE 25 HD12 ILE 25 114.645 -9.930 -5.017 189 HD13 ILE 25 HD13 ILE 25 115.598 -8.705 -4.177 190 H SER 26 HN SER 26 118.701 -12.327 -6.543 191 HA SER 26 HA SER 26 118.806 -14.961 -5.206 192 HB2 SER 26 HB2 SER 26 116.415 -14.149 -6.881 193 HB3 SER 26 HB1 SER 26 116.651 -15.681 -6.043 194 HG SER 26 HG SER 26 116.889 -13.396 -4.500 195 H ASN 27 HN ASN 27 120.812 -14.691 -6.648 196 HA ASN 27 HA ASN 27 120.189 -15.268 -9.509 197 HB2 ASN 27 HB2 ASN 27 122.710 -14.872 -9.769 198 HB3 ASN 27 HB1 ASN 27 121.736 -13.463 -9.355 199 HD21 ASN 27 HD21 ASN 27 124.124 -12.877 -8.556 200 HD22 ASN 27 HD22 ASN 27 124.444 -13.242 -6.930 201 H LYS 28 HN LYS 28 120.723 -17.225 -10.388 202 HA LYS 28 HA LYS 28 120.904 -19.573 -8.957 203 HB2 LYS 28 HB2 LYS 28 122.372 -18.906 -11.525 204 HB3 LYS 28 HB1 LYS 28 122.167 -20.542 -10.899 205 HG2 LYS 28 HG2 LYS 28 119.716 -20.272 -10.985 206 HG3 LYS 28 HG1 LYS 28 119.918 -18.635 -11.610 207 HD2 LYS 28 HD2 LYS 28 121.095 -19.527 -13.585 208 HD3 LYS 28 HD1 LYS 28 120.903 -21.167 -12.961 209 HE2 LYS 28 HE2 LYS 28 118.450 -20.916 -13.041 210 HE3 LYS 28 HE1 LYS 28 118.637 -19.274 -13.658 211 HZ1 LYS 28 HZ1 LYS 28 119.290 -21.829 -14.981 212 HZ2 LYS 28 HZ2 LYS 28 120.028 -20.380 -15.476 213 HZ3 LYS 28 HZ3 LYS 28 118.339 -20.547 -15.554 214 H SER 29 HN SER 29 123.670 -17.490 -9.827 215 HA SER 29 HA SER 29 125.427 -19.167 -8.107 216 HB2 SER 29 HB2 SER 29 126.375 -18.621 -10.275 217 HB3 SER 29 HB1 SER 29 126.027 -16.909 -10.046 218 HG SER 29 HG SER 29 127.423 -17.094 -8.140 219 H SER 30 HN SER 30 126.052 -18.428 -6.079 220 HA SER 30 HA SER 30 125.109 -15.708 -5.307 221 HB2 SER 30 HB2 SER 30 124.315 -17.785 -4.056 222 HB3 SER 30 HB1 SER 30 125.970 -17.958 -3.480 223 HG SER 30 HG SER 30 124.447 -16.709 -2.132 224 H ASN 31 HN ASN 31 126.678 -14.182 -5.131 225 HA ASN 31 HA ASN 31 129.509 -15.054 -4.847 226 HB2 ASN 31 HB2 ASN 31 128.824 -13.434 -6.674 227 HB3 ASN 31 HB1 ASN 31 128.452 -12.269 -5.403 228 HD21 ASN 31 HD21 ASN 31 130.465 -11.569 -7.199 229 HD22 ASN 31 HD22 ASN 31 131.981 -11.663 -6.442 230 H ASN 32 HN ASN 32 127.258 -14.728 -2.707 231 HA ASN 32 HA ASN 32 129.011 -13.810 -0.604 232 HB2 ASN 32 HB2 ASN 32 128.281 -11.637 -1.685 233 HB3 ASN 32 HB1 ASN 32 126.640 -12.016 -1.161 234 HD21 ASN 32 HD21 ASN 32 126.439 -10.388 0.465 235 HD22 ASN 32 HD22 ASN 32 127.414 -10.344 1.855 236 H GLN 33 HN GLN 33 127.459 -13.409 1.484 237 HA GLN 33 HA GLN 33 126.153 -15.893 1.981 238 HB2 GLN 33 HB2 GLN 33 125.326 -14.844 4.035 239 HB3 GLN 33 HB1 GLN 33 127.007 -14.386 3.770 240 HG2 GLN 33 HG2 GLN 33 126.230 -12.264 2.717 241 HG3 GLN 33 HG1 GLN 33 124.567 -12.715 3.100 242 HE21 GLN 33 HE21 GLN 33 124.184 -13.199 5.542 243 HE22 GLN 33 HE22 GLN 33 125.019 -12.227 6.655 244 H GLN 34 HN GLN 34 123.805 -16.249 2.331 245 HA GLN 34 HA GLN 34 122.226 -15.315 0.144 246 HB2 GLN 34 HB2 GLN 34 120.430 -16.548 1.133 247 HB3 GLN 34 HB1 GLN 34 121.896 -17.445 1.520 248 HG2 GLN 34 HG2 GLN 34 121.964 -16.223 3.730 249 HG3 GLN 34 HG1 GLN 34 120.376 -15.559 3.340 250 HE21 GLN 34 HE21 GLN 34 119.365 -16.746 5.121 251 HE22 GLN 34 HE22 GLN 34 119.120 -18.423 5.028 252 H ASP 35 HN ASP 35 122.354 -14.338 3.568 253 HA ASP 35 HA ASP 35 120.180 -12.559 3.611 254 HB2 ASP 35 HB2 ASP 35 122.814 -11.909 4.933 255 HB3 ASP 35 HB1 ASP 35 121.184 -11.583 5.523 256 H ILE 36 HN ILE 36 119.813 -10.611 2.608 257 HA ILE 36 HA ILE 36 122.063 -9.450 1.030 258 HB ILE 36 HB ILE 36 119.107 -8.781 0.904 259 HG12 ILE 36 HG12 ILE 36 119.422 -11.113 0.275 260 HG13 ILE 36 HG11 ILE 36 119.158 -10.166 -1.189 261 HG21 ILE 36 HG21 ILE 36 121.373 -8.247 -1.040 262 HG22 ILE 36 HG22 ILE 36 120.694 -7.049 0.062 263 HG23 ILE 36 HG23 ILE 36 119.697 -7.731 -1.224 264 HD11 ILE 36 HD11 ILE 36 121.770 -9.982 -1.240 265 HD12 ILE 36 HD12 ILE 36 121.010 -11.483 -1.770 266 HD13 ILE 36 HD13 ILE 36 121.715 -11.373 -0.158 267 H VAL 37 HN VAL 37 123.084 -7.721 1.932 268 HA VAL 37 HA VAL 37 121.551 -6.081 3.917 269 HB VAL 37 HB VAL 37 124.492 -6.755 3.742 270 HG11 VAL 37 HG11 VAL 37 124.575 -5.306 5.868 271 HG12 VAL 37 HG12 VAL 37 123.028 -4.646 5.337 272 HG13 VAL 37 HG13 VAL 37 124.462 -4.450 4.330 273 HG21 VAL 37 HG21 VAL 37 124.153 -7.922 5.750 274 HG22 VAL 37 HG22 VAL 37 122.665 -8.262 4.866 275 HG23 VAL 37 HG23 VAL 37 122.679 -7.031 6.130 276 H CYS 38 HN CYS 38 121.210 -3.996 3.363 277 HA CYS 38 HA CYS 38 122.792 -2.879 1.088 278 HB2 CYS 38 HB2 CYS 38 120.158 -2.039 2.335 279 HB3 CYS 38 HB1 CYS 38 120.995 -1.117 1.087 280 H THR 39 HN THR 39 124.643 -2.024 2.086 281 HA THR 39 HA THR 39 124.298 -0.465 4.572 282 HB THR 39 HB THR 39 126.791 -1.222 3.015 283 HG1 THR 39 HG1 THR 39 126.227 -3.046 3.937 284 HG21 THR 39 HG21 THR 39 126.350 0.221 5.630 285 HG22 THR 39 HG22 THR 39 127.317 0.737 4.249 286 HG23 THR 39 HG23 THR 39 127.867 -0.598 5.262 287 H VAL 40 HN VAL 40 123.950 1.665 4.447 288 HA VAL 40 HA VAL 40 125.305 3.214 2.293 289 HB VAL 40 HB VAL 40 123.164 4.528 1.966 290 HG11 VAL 40 HG11 VAL 40 124.020 2.650 0.454 291 HG12 VAL 40 HG12 VAL 40 122.293 2.995 0.350 292 HG13 VAL 40 HG13 VAL 40 122.859 1.599 1.268 293 HG21 VAL 40 HG21 VAL 40 121.085 3.572 2.716 294 HG22 VAL 40 HG22 VAL 40 122.148 3.652 4.121 295 HG23 VAL 40 HG23 VAL 40 121.897 2.116 3.290 296 H LYS 41 HN LYS 41 125.720 5.410 2.900 297 HA LYS 41 HA LYS 41 125.636 5.835 5.824 298 HB2 LYS 41 HB2 LYS 41 127.094 7.785 5.330 299 HB3 LYS 41 HB1 LYS 41 127.746 6.293 4.652 300 HG2 LYS 41 HG2 LYS 41 126.664 6.884 2.465 301 HG3 LYS 41 HG1 LYS 41 126.201 8.435 3.166 302 HD2 LYS 41 HD2 LYS 41 128.553 8.981 3.577 303 HD3 LYS 41 HD1 LYS 41 129.045 7.414 2.935 304 HE2 LYS 41 HE2 LYS 41 129.287 9.152 1.214 305 HE3 LYS 41 HE1 LYS 41 128.033 8.002 0.753 306 HZ1 LYS 41 HZ1 LYS 41 127.792 10.755 1.057 307 HZ2 LYS 41 HZ2 LYS 41 126.892 10.046 2.311 308 HZ3 LYS 41 HZ3 LYS 41 126.568 9.639 0.693 309 H ALA 42 HN ALA 42 124.191 7.192 6.785 310 HA ALA 42 HA ALA 42 122.369 8.730 4.995 311 HB1 ALA 42 HB1 ALA 42 121.097 8.928 7.284 312 HB2 ALA 42 HB2 ALA 42 122.128 7.579 7.759 313 HB3 ALA 42 HB3 ALA 42 121.035 7.413 6.385 314 H HIS 43 HN HIS 43 121.931 10.956 5.468 315 HA HIS 43 HA HIS 43 123.956 12.265 7.249 316 HB2 HIS 43 HB2 HIS 43 124.181 12.535 4.661 317 HB3 HIS 43 HB1 HIS 43 122.793 13.612 4.816 318 HD1 HIS 43 HD1 HIS 43 123.108 15.744 6.359 319 HD2 HIS 43 HD2 HIS 43 126.606 13.611 5.577 320 HE1 HIS 43 HE1 HIS 43 125.033 17.257 7.015 321 HE2 HIS 43 HE2 HIS 43 127.166 15.968 6.543 322 H ALA 44 HN ALA 44 123.226 14.167 8.336 323 HA ALA 44 HA ALA 44 120.615 14.064 9.404 324 HB1 ALA 44 HB1 ALA 44 121.557 16.788 9.458 325 HB2 ALA 44 HB2 ALA 44 122.928 15.708 9.696 326 HB3 ALA 44 HB3 ALA 44 121.537 15.613 10.773 327 H ASN 45 HN ASN 45 121.759 15.522 6.450 328 HA ASN 45 HA ASN 45 119.163 16.927 6.080 329 HB2 ASN 45 HB2 ASN 45 121.279 18.152 5.595 330 HB3 ASN 45 HB1 ASN 45 121.649 16.965 4.344 331 HD21 ASN 45 HD21 ASN 45 121.497 18.638 2.657 332 HD22 ASN 45 HD22 ASN 45 119.989 19.246 2.172 333 H ASP 46 HN ASP 46 120.982 14.175 4.980 334 HA ASP 46 HA ASP 46 119.471 13.740 2.539 335 HB2 ASP 46 HB2 ASP 46 121.313 12.027 4.204 336 HB3 ASP 46 HB1 ASP 46 120.457 11.369 2.812 337 H LEU 47 HN LEU 47 117.556 12.625 2.274 338 HA LEU 47 HA LEU 47 116.023 11.932 4.662 339 HB2 LEU 47 HB2 LEU 47 115.390 11.387 1.742 340 HB3 LEU 47 HB1 LEU 47 114.250 11.331 3.086 341 HG LEU 47 HG LEU 47 115.767 13.787 2.158 342 HD11 LEU 47 HD11 LEU 47 113.886 12.947 0.681 343 HD12 LEU 47 HD12 LEU 47 113.650 14.572 1.324 344 HD13 LEU 47 HD13 LEU 47 112.796 13.206 2.042 345 HD21 LEU 47 HD21 LEU 47 115.437 14.209 4.416 346 HD22 LEU 47 HD22 LEU 47 114.009 13.179 4.507 347 HD23 LEU 47 HD23 LEU 47 113.897 14.777 3.772 348 H ILE 48 HN ILE 48 115.466 9.782 5.320 349 HA ILE 48 HA ILE 48 117.026 7.615 3.956 350 HB ILE 48 HB ILE 48 117.267 6.561 6.190 351 HG12 ILE 48 HG12 ILE 48 116.123 9.167 7.242 352 HG13 ILE 48 HG11 ILE 48 115.214 7.659 7.156 353 HG21 ILE 48 HG21 ILE 48 119.044 8.042 5.330 354 HG22 ILE 48 HG22 ILE 48 118.912 8.168 7.084 355 HG23 ILE 48 HG23 ILE 48 118.238 9.433 6.057 356 HD11 ILE 48 HD11 ILE 48 116.399 8.239 9.389 357 HD12 ILE 48 HD12 ILE 48 117.879 7.768 8.555 358 HD13 ILE 48 HD13 ILE 48 116.571 6.602 8.759 359 H GLY 49 HN GLY 49 115.991 5.642 3.688 360 HA2 GLY 49 HA2 GLY 49 113.588 4.807 4.957 361 HA3 GLY 49 HA1 GLY 49 113.145 5.645 3.468 362 H PHE 50 HN PHE 50 112.353 3.264 3.097 363 HA PHE 50 HA PHE 50 114.122 2.080 1.155 364 HB2 PHE 50 HB2 PHE 50 114.646 -0.013 2.254 365 HB3 PHE 50 HB1 PHE 50 115.212 1.304 3.279 366 HD1 PHE 50 HD2 PHE 50 114.059 1.872 5.365 367 HD2 PHE 50 HD1 PHE 50 112.717 -1.363 2.880 368 HE1 PHE 50 HE2 PHE 50 112.652 1.028 7.224 369 HE2 PHE 50 HE1 PHE 50 111.309 -2.208 4.738 370 HZ PHE 50 HZ PHE 50 111.279 -1.016 6.911 371 H LYS 51 HN LYS 51 113.165 -0.091 0.373 372 HA LYS 51 HA LYS 51 110.275 -0.362 1.011 373 HB2 LYS 51 HB2 LYS 51 110.339 1.263 -0.829 374 HB3 LYS 51 HB1 LYS 51 111.316 0.155 -1.792 375 HG2 LYS 51 HG2 LYS 51 109.489 -1.496 -1.763 376 HG3 LYS 51 HG1 LYS 51 108.514 -0.407 -0.772 377 HD2 LYS 51 HD2 LYS 51 108.581 1.288 -2.570 378 HD3 LYS 51 HD1 LYS 51 109.538 0.189 -3.565 379 HE2 LYS 51 HE2 LYS 51 107.705 -1.454 -3.532 380 HE3 LYS 51 HE1 LYS 51 106.745 -0.372 -2.522 381 HZ1 LYS 51 HZ1 LYS 51 105.972 0.307 -4.507 382 HZ2 LYS 51 HZ2 LYS 51 107.342 -0.224 -5.360 383 HZ3 LYS 51 HZ3 LYS 51 107.378 1.254 -4.524 384 H CYS 52 HN CYS 52 109.481 -2.453 0.601 385 HA CYS 52 HA CYS 52 111.463 -4.427 -0.464 386 HB2 CYS 52 HB2 CYS 52 109.531 -4.649 1.867 387 HB3 CYS 52 HB1 CYS 52 110.315 -6.051 1.144 388 HA PRO 53 HA PRO 53 108.425 -5.582 -3.469 389 HB2 PRO 53 HB2 PRO 53 108.443 -8.388 -3.091 390 HB3 PRO 53 HB1 PRO 53 109.467 -7.468 -4.208 391 HG2 PRO 53 HG2 PRO 53 110.082 -8.512 -1.505 392 HG3 PRO 53 HG1 PRO 53 111.140 -8.316 -2.910 393 HD2 PRO 53 HD2 PRO 53 111.277 -6.644 -0.809 394 HD3 PRO 53 HD1 PRO 53 111.521 -6.062 -2.473 395 H SER 54 HN SER 54 106.217 -5.981 -3.571 396 HA SER 54 HA SER 54 104.737 -5.950 -1.106 397 HB2 SER 54 HB2 SER 54 103.948 -4.940 -3.255 398 HB3 SER 54 HB1 SER 54 103.702 -6.566 -3.887 399 HG SER 54 HG SER 54 102.438 -5.315 -1.677 400 H ASN 55 HN ASN 55 106.052 -8.550 -2.920 401 HA ASN 55 HA ASN 55 104.038 -10.491 -1.972 402 HB2 ASN 55 HB2 ASN 55 106.612 -10.873 -3.528 403 HB3 ASN 55 HB1 ASN 55 105.437 -12.143 -3.184 404 HD21 ASN 55 HD21 ASN 55 106.349 -10.176 -5.649 405 HD22 ASN 55 HD22 ASN 55 104.856 -9.956 -6.428 406 H TYR 56 HN TYR 56 106.548 -8.970 -0.532 407 HA TYR 56 HA TYR 56 107.350 -11.379 1.059 408 HB2 TYR 56 HB2 TYR 56 108.788 -8.828 0.377 409 HB3 TYR 56 HB1 TYR 56 109.246 -9.749 1.810 410 HD1 TYR 56 HD1 TYR 56 108.483 -10.291 -1.832 411 HD2 TYR 56 HD2 TYR 56 110.803 -11.465 1.587 412 HE1 TYR 56 HE1 TYR 56 109.775 -11.866 -3.248 413 HE2 TYR 56 HE2 TYR 56 112.091 -13.040 0.172 414 HH TYR 56 HH TYR 56 112.657 -13.376 -2.156 415 H SER 57 HN SER 57 107.809 -10.886 3.436 416 HA SER 57 HA SER 57 105.626 -9.118 4.452 417 HB2 SER 57 HB2 SER 57 105.493 -11.442 5.205 418 HB3 SER 57 HB1 SER 57 107.159 -11.380 5.772 419 HG SER 57 HG SER 57 106.217 -9.430 6.997 420 H VAL 58 HN VAL 58 106.169 -7.312 5.652 421 HA VAL 58 HA VAL 58 109.051 -6.730 5.922 422 HB VAL 58 HB VAL 58 108.450 -4.469 6.181 423 HG11 VAL 58 HG11 VAL 58 107.088 -4.021 4.304 424 HG12 VAL 58 HG12 VAL 58 106.102 -5.459 4.567 425 HG13 VAL 58 HG13 VAL 58 107.753 -5.620 3.970 426 HG21 VAL 58 HG21 VAL 58 105.993 -3.861 6.648 427 HG22 VAL 58 HG22 VAL 58 106.911 -4.536 7.996 428 HG23 VAL 58 HG23 VAL 58 105.780 -5.553 7.102 429 H GLU 59 HN GLU 59 110.113 -7.041 7.766 430 HA GLU 59 HA GLU 59 108.605 -6.977 10.345 431 HB2 GLU 59 HB2 GLU 59 110.544 -9.049 9.330 432 HB3 GLU 59 HB1 GLU 59 110.381 -8.756 11.061 433 HG2 GLU 59 HG2 GLU 59 108.884 -10.574 10.337 434 HG3 GLU 59 HG1 GLU 59 107.957 -9.187 10.909 435 HA PRO 60 HA PRO 60 112.028 -4.105 10.958 436 HB2 PRO 60 HB2 PRO 60 111.355 -3.203 13.425 437 HB3 PRO 60 HB1 PRO 60 110.457 -2.727 11.969 438 HG2 PRO 60 HG2 PRO 60 109.771 -4.754 14.038 439 HG3 PRO 60 HG1 PRO 60 108.725 -3.589 13.206 440 HD2 PRO 60 HD2 PRO 60 108.909 -6.252 12.508 441 HD3 PRO 60 HD1 PRO 60 108.426 -4.963 11.385 442 H HIS 61 HN HIS 61 114.009 -5.044 11.370 443 HA HIS 61 HA HIS 61 114.300 -6.842 13.708 444 HB2 HIS 61 HB2 HIS 61 115.311 -7.236 11.329 445 HB3 HIS 61 HB1 HIS 61 116.532 -6.068 11.836 446 HD1 HIS 61 HD1 HIS 61 117.245 -6.738 14.598 447 HD2 HIS 61 HD2 HIS 61 116.283 -9.753 11.879 448 HE1 HIS 61 HE1 HIS 61 118.259 -8.876 15.507 449 HE2 HIS 61 HE2 HIS 61 117.679 -10.717 13.861 450 H ASP 62 HN ASP 62 114.967 -3.631 12.664 451 HA ASP 62 HA ASP 62 115.662 -2.725 15.294 452 HB2 ASP 62 HB2 ASP 62 117.803 -3.866 14.733 453 HB3 ASP 62 HB1 ASP 62 117.954 -2.838 13.308 454 H CYS 63 HN CYS 63 113.848 -2.024 13.215 455 HA CYS 63 HA CYS 63 114.695 0.151 11.592 456 HB2 CYS 63 HB2 CYS 63 111.973 -0.434 12.797 457 HB3 CYS 63 HB1 CYS 63 112.269 0.755 11.530 458 H PHE 64 HN PHE 64 112.740 2.185 12.487 459 HA PHE 64 HA PHE 64 114.331 3.259 14.781 460 HB2 PHE 64 HB2 PHE 64 113.400 5.501 13.919 461 HB3 PHE 64 HB1 PHE 64 114.662 4.717 12.974 462 HD1 PHE 64 HD2 PHE 64 113.963 3.254 10.993 463 HD2 PHE 64 HD1 PHE 64 111.286 5.962 12.980 464 HE1 PHE 64 HE2 PHE 64 112.457 3.211 9.023 465 HE2 PHE 64 HE1 PHE 64 109.781 5.920 11.011 466 HZ PHE 64 HZ PHE 64 110.367 4.545 9.033 467 H VAL 65 HN VAL 65 110.967 3.598 13.480 468 HA VAL 65 HA VAL 65 109.799 4.715 15.749 469 HB VAL 65 HB VAL 65 108.714 2.635 13.840 470 HG11 VAL 65 HG11 VAL 65 107.424 2.183 15.767 471 HG12 VAL 65 HG12 VAL 65 106.455 3.373 14.897 472 HG13 VAL 65 HG13 VAL 65 107.434 3.872 16.277 473 HG21 VAL 65 HG21 VAL 65 107.342 4.572 13.103 474 HG22 VAL 65 HG22 VAL 65 109.068 4.905 12.964 475 HG23 VAL 65 HG23 VAL 65 108.144 5.579 14.307 476 H SER 66 HN SER 66 109.516 1.205 15.185 477 HA SER 66 HA SER 66 110.347 0.725 18.000 478 HB2 SER 66 HB2 SER 66 107.859 0.837 17.982 479 HB3 SER 66 HB1 SER 66 107.826 -0.413 16.743 480 HG SER 66 HG SER 66 108.691 -1.850 18.191 481 H ALA 67 HN ALA 67 111.750 -1.013 18.060 482 HA ALA 67 HA ALA 67 111.481 -3.306 16.330 483 HB1 ALA 67 HB1 ALA 67 112.292 -1.498 14.739 484 HB2 ALA 67 HB2 ALA 67 113.297 -2.944 14.808 485 HB3 ALA 67 HB3 ALA 67 113.795 -1.479 15.656 486 H PHE 68 HN PHE 68 113.777 -4.482 16.306 487 HA PHE 68 HA PHE 68 114.604 -4.600 19.151 488 HB2 PHE 68 HB2 PHE 68 115.584 -6.418 16.946 489 HB3 PHE 68 HB1 PHE 68 115.477 -6.752 18.671 490 HD1 PHE 68 HD1 PHE 68 113.400 -6.038 15.654 491 HD2 PHE 68 HD2 PHE 68 113.537 -7.760 19.588 492 HE1 PHE 68 HE1 PHE 68 111.141 -7.002 15.312 493 HE2 PHE 68 HE2 PHE 68 111.271 -8.719 19.242 494 HZ PHE 68 HZ PHE 68 110.078 -8.336 17.094 495 H ASN 69 HN ASN 69 116.459 -3.562 19.777 496 HA ASN 69 HA ASN 69 118.156 -2.250 17.834 497 HB2 ASN 69 HB2 ASN 69 118.410 -2.686 20.818 498 HB3 ASN 69 HB1 ASN 69 119.594 -1.775 19.879 499 HD21 ASN 69 HD21 ASN 69 118.092 -0.467 21.906 500 HD22 ASN 69 HD22 ASN 69 117.014 0.622 21.174 501 H LEU 70 HN LEU 70 120.719 -2.608 18.423 502 HA LEU 70 HA LEU 70 121.396 -5.124 17.247 503 HB2 LEU 70 HB2 LEU 70 123.054 -3.107 18.784 504 HB3 LEU 70 HB1 LEU 70 123.746 -4.519 17.989 505 HG LEU 70 HG LEU 70 121.985 -2.584 16.481 506 HD11 LEU 70 HD11 LEU 70 124.949 -2.408 17.065 507 HD12 LEU 70 HD12 LEU 70 123.722 -1.160 17.293 508 HD13 LEU 70 HD13 LEU 70 124.218 -1.623 15.665 509 HD21 LEU 70 HD21 LEU 70 122.372 -4.646 15.303 510 HD22 LEU 70 HD22 LEU 70 124.077 -4.654 15.749 511 HD23 LEU 70 HD23 LEU 70 123.475 -3.468 14.595 512 H SER 71 HN SER 71 120.787 -4.170 20.515 513 HA SER 71 HA SER 71 122.156 -6.468 21.712 514 HB2 SER 71 HB2 SER 71 121.757 -4.268 22.907 515 HB3 SER 71 HB1 SER 71 120.045 -4.678 22.951 516 HG SER 71 HG SER 71 121.887 -5.406 24.649 517 H GLY 72 HN GLY 72 119.328 -6.034 19.975 518 HA2 GLY 72 HA2 GLY 72 117.697 -7.660 19.431 519 HA3 GLY 72 HA1 GLY 72 118.370 -8.707 20.682 520 H LYS 73 HN LYS 73 117.691 -5.469 21.634 521 HA LYS 73 HA LYS 73 115.388 -6.466 23.243 522 HB2 LYS 73 HB2 LYS 73 117.011 -3.915 23.522 523 HB3 LYS 73 HB1 LYS 73 115.778 -4.483 24.645 524 HG2 LYS 73 HG2 LYS 73 118.178 -6.182 23.958 525 HG3 LYS 73 HG1 LYS 73 118.243 -4.978 25.246 526 HD2 LYS 73 HD2 LYS 73 116.257 -6.069 26.305 527 HD3 LYS 73 HD1 LYS 73 116.324 -7.322 25.066 528 HE2 LYS 73 HE2 LYS 73 117.486 -8.152 27.007 529 HE3 LYS 73 HE1 LYS 73 118.694 -7.790 25.773 530 HZ1 LYS 73 HZ1 LYS 73 118.149 -6.439 28.298 531 HZ2 LYS 73 HZ2 LYS 73 118.594 -5.456 26.986 532 HZ3 LYS 73 HZ3 LYS 73 119.625 -6.702 27.505 533 H ASN 74 HN ASN 74 113.349 -5.575 22.984 534 HA ASN 74 HA ASN 74 112.952 -3.927 20.584 535 HB2 ASN 74 HB2 ASN 74 111.483 -5.917 21.360 536 HB3 ASN 74 HB1 ASN 74 110.776 -4.764 22.491 537 HD21 ASN 74 HD21 ASN 74 108.875 -5.502 20.832 538 HD22 ASN 74 HD22 ASN 74 108.639 -4.432 19.536 539 H GLU 75 HN GLU 75 113.273 -1.766 20.818 540 HA GLU 75 HA GLU 75 111.804 -0.377 22.987 541 HB2 GLU 75 HB2 GLU 75 114.100 -0.771 23.868 542 HB3 GLU 75 HB1 GLU 75 114.764 0.059 22.461 543 HG2 GLU 75 HG2 GLU 75 114.671 1.654 24.273 544 HG3 GLU 75 HG1 GLU 75 113.411 2.089 23.121 545 H ASN 76 HN ASN 76 111.096 1.698 22.360 546 HA ASN 76 HA ASN 76 111.026 2.269 19.569 547 HB2 ASN 76 HB2 ASN 76 110.397 3.871 22.043 548 HB3 ASN 76 HB1 ASN 76 110.288 4.599 20.442 549 HD21 ASN 76 HD21 ASN 76 107.877 4.729 21.048 550 HD22 ASN 76 HD22 ASN 76 106.913 3.367 20.738 551 H LEU 77 HN LEU 77 112.127 3.902 18.359 552 HA LEU 77 HA LEU 77 114.810 4.563 19.463 553 HB2 LEU 77 HB2 LEU 77 114.392 3.427 17.153 554 HB3 LEU 77 HB1 LEU 77 113.944 5.047 16.619 555 HG LEU 77 HG LEU 77 116.161 5.861 17.522 556 HD11 LEU 77 HD11 LEU 77 117.840 3.781 17.554 557 HD12 LEU 77 HD12 LEU 77 116.392 2.927 18.082 558 HD13 LEU 77 HD13 LEU 77 116.999 4.294 19.014 559 HD21 LEU 77 HD21 LEU 77 115.639 5.191 15.095 560 HD22 LEU 77 HD22 LEU 77 116.504 3.694 15.443 561 HD23 LEU 77 HD23 LEU 77 117.340 5.242 15.554 562 H GLU 78 HN GLU 78 111.904 5.996 19.499 563 HA GLU 78 HA GLU 78 112.460 8.617 18.423 564 HB2 GLU 78 HB2 GLU 78 110.460 9.343 19.581 565 HB3 GLU 78 HB1 GLU 78 110.158 7.750 18.891 566 HG2 GLU 78 HG2 GLU 78 110.732 6.736 21.110 567 HG3 GLU 78 HG1 GLU 78 110.863 8.366 21.772 568 H ASN 79 HN ASN 79 112.777 7.229 21.688 569 HA ASN 79 HA ASN 79 113.554 9.678 22.966 570 HB2 ASN 79 HB2 ASN 79 114.509 8.180 24.719 571 HB3 ASN 79 HB1 ASN 79 112.863 7.727 24.273 572 HD21 ASN 79 HD21 ASN 79 113.762 5.550 25.236 573 HD22 ASN 79 HD22 ASN 79 114.507 4.497 24.133 574 H LYS 80 HN LYS 80 115.261 7.355 20.998 575 HA LYS 80 HA LYS 80 117.903 8.415 21.714 576 HB2 LYS 80 HB2 LYS 80 117.660 6.043 21.096 577 HB3 LYS 80 HB1 LYS 80 117.045 6.512 19.514 578 HG2 LYS 80 HG2 LYS 80 119.394 5.951 19.280 579 HG3 LYS 80 HG1 LYS 80 119.226 7.695 19.086 580 HD2 LYS 80 HD2 LYS 80 120.077 8.131 21.255 581 HD3 LYS 80 HD1 LYS 80 119.845 6.460 21.771 582 HE2 LYS 80 HE2 LYS 80 122.207 6.831 21.336 583 HE3 LYS 80 HE1 LYS 80 121.560 5.759 20.094 584 HZ1 LYS 80 HZ1 LYS 80 122.062 8.673 19.854 585 HZ2 LYS 80 HZ2 LYS 80 121.248 7.752 18.682 586 HZ3 LYS 80 HZ3 LYS 80 122.875 7.426 19.044 587 H LEU 81 HN LEU 81 115.769 8.464 18.855 588 HA LEU 81 HA LEU 81 117.223 10.910 17.928 589 HB2 LEU 81 HB2 LEU 81 117.716 8.896 16.525 590 HB3 LEU 81 HB1 LEU 81 115.992 8.760 16.177 591 HG LEU 81 HG LEU 81 116.043 11.079 15.244 592 HD11 LEU 81 HD11 LEU 81 118.905 10.810 16.088 593 HD12 LEU 81 HD12 LEU 81 117.844 12.215 16.162 594 HD13 LEU 81 HD13 LEU 81 118.550 11.725 14.624 595 HD21 LEU 81 HD21 LEU 81 118.158 9.431 13.870 596 HD22 LEU 81 HD22 LEU 81 116.874 10.395 13.148 597 HD23 LEU 81 HD23 LEU 81 116.490 8.866 13.938 598 H LYS 82 HN LYS 82 115.863 12.650 17.746 599 HA LYS 82 HA LYS 82 112.999 12.285 18.179 600 HB2 LYS 82 HB2 LYS 82 114.663 14.736 17.531 601 HB3 LYS 82 HB1 LYS 82 112.936 14.781 17.886 602 HG2 LYS 82 HG2 LYS 82 113.338 13.795 20.096 603 HG3 LYS 82 HG1 LYS 82 115.064 13.683 19.747 604 HD2 LYS 82 HD2 LYS 82 115.147 16.154 19.482 605 HD3 LYS 82 HD1 LYS 82 113.439 16.239 19.915 606 HE2 LYS 82 HE2 LYS 82 115.630 15.099 21.675 607 HE3 LYS 82 HE1 LYS 82 114.893 16.689 21.871 608 HZ1 LYS 82 HZ1 LYS 82 112.715 15.488 22.033 609 HZ2 LYS 82 HZ2 LYS 82 113.777 15.239 23.335 610 HZ3 LYS 82 HZ3 LYS 82 113.591 14.041 22.144 611 H LEU 83 HN LEU 83 112.509 10.974 16.282 612 HA LEU 83 HA LEU 83 112.883 12.143 13.621 613 HB2 LEU 83 HB2 LEU 83 111.429 9.669 14.588 614 HB3 LEU 83 HB1 LEU 83 111.543 10.131 12.890 615 HG LEU 83 HG LEU 83 113.950 9.730 14.687 616 HD11 LEU 83 HD11 LEU 83 114.226 7.574 13.504 617 HD12 LEU 83 HD12 LEU 83 112.689 7.838 12.679 618 HD13 LEU 83 HD13 LEU 83 112.725 7.616 14.428 619 HD21 LEU 83 HD21 LEU 83 113.508 10.356 11.783 620 HD22 LEU 83 HD22 LEU 83 114.915 9.396 12.240 621 HD23 LEU 83 HD23 LEU 83 114.704 11.018 12.897 622 H THR 84 HN THR 84 111.384 13.252 12.459 623 HA THR 84 HA THR 84 108.633 13.522 13.623 624 HB THR 84 HB THR 84 108.616 15.865 12.989 625 HG1 THR 84 HG1 THR 84 109.954 15.597 11.135 626 HG21 THR 84 HG21 THR 84 109.517 15.613 15.158 627 HG22 THR 84 HG22 THR 84 110.674 16.657 14.333 628 HG23 THR 84 HG23 THR 84 111.030 14.943 14.544 629 H ASN 85 HN ASN 85 106.985 14.089 11.980 630 HA ASN 85 HA ASN 85 105.909 13.620 9.942 631 HB2 ASN 85 HB2 ASN 85 108.672 14.351 8.948 632 HB3 ASN 85 HB1 ASN 85 107.279 14.131 7.894 633 HD21 ASN 85 HD21 ASN 85 108.999 16.587 9.035 634 HD22 ASN 85 HD22 ASN 85 107.784 17.721 9.384 635 H ILE 86 HN ILE 86 106.573 11.331 11.248 636 HA ILE 86 HA ILE 86 108.203 9.570 9.601 637 HB ILE 86 HB ILE 86 106.302 9.012 11.895 638 HG12 ILE 86 HG12 ILE 86 109.333 9.030 11.812 639 HG13 ILE 86 HG11 ILE 86 108.365 10.404 12.347 640 HG21 ILE 86 HG21 ILE 86 107.994 7.240 10.177 641 HG22 ILE 86 HG22 ILE 86 106.426 6.927 10.922 642 HG23 ILE 86 HG23 ILE 86 107.890 6.875 11.901 643 HD11 ILE 86 HD11 ILE 86 107.235 8.690 13.951 644 HD12 ILE 86 HD12 ILE 86 108.846 9.282 14.358 645 HD13 ILE 86 HD13 ILE 86 108.650 7.691 13.623 646 H ILE 87 HN ILE 87 107.526 8.319 7.923 647 HA ILE 87 HA ILE 87 104.571 8.154 7.404 648 HB ILE 87 HB ILE 87 106.847 8.116 5.402 649 HG12 ILE 87 HG12 ILE 87 106.590 10.346 6.350 650 HG13 ILE 87 HG11 ILE 87 105.927 10.336 4.716 651 HG21 ILE 87 HG21 ILE 87 103.849 7.925 5.155 652 HG22 ILE 87 HG22 ILE 87 105.078 6.863 4.469 653 HG23 ILE 87 HG23 ILE 87 104.848 8.484 3.815 654 HD11 ILE 87 HD11 ILE 87 103.674 9.736 5.964 655 HD12 ILE 87 HD12 ILE 87 104.220 11.410 5.873 656 HD13 ILE 87 HD13 ILE 87 104.488 10.474 7.343 657 H MET 88 HN MET 88 103.847 6.076 7.716 658 HA MET 88 HA MET 88 105.713 3.836 7.005 659 HB2 MET 88 HB2 MET 88 103.688 3.920 9.268 660 HB3 MET 88 HB1 MET 88 104.674 2.524 8.830 661 HG2 MET 88 HG2 MET 88 106.715 3.748 9.329 662 HG3 MET 88 HG1 MET 88 105.795 5.218 9.634 663 HE1 MET 88 HE1 MET 88 106.847 1.817 10.556 664 HE2 MET 88 HE2 MET 88 105.164 1.357 10.804 665 HE3 MET 88 HE3 MET 88 106.250 1.477 12.188 666 H ASP 89 HN ASP 89 104.906 2.970 5.155 667 HA ASP 89 HA ASP 89 101.938 2.605 4.938 668 HB2 ASP 89 HB2 ASP 89 103.066 4.080 3.207 669 HB3 ASP 89 HB1 ASP 89 103.937 2.647 2.664 670 H HIS 90 HN HIS 90 101.671 0.532 5.753 671 HA HIS 90 HA HIS 90 103.584 -1.591 5.315 672 HB2 HIS 90 HB2 HIS 90 100.729 -1.580 6.312 673 HB3 HIS 90 HB1 HIS 90 101.710 -3.043 6.212 674 HD1 HIS 90 HD1 HIS 90 101.724 0.375 7.877 675 HD2 HIS 90 HD2 HIS 90 103.521 -3.365 8.312 676 HE1 HIS 90 HE1 HIS 90 103.021 0.450 10.054 677 HE2 HIS 90 HE2 HIS 90 104.118 -1.820 10.327 678 H TYR 91 HN TYR 91 100.564 -0.642 3.707 679 HA TYR 91 HA TYR 91 100.250 -2.983 2.117 680 HB2 TYR 91 HB2 TYR 91 98.483 -1.303 2.247 681 HB3 TYR 91 HB1 TYR 91 99.525 -0.110 1.469 682 HD1 TYR 91 HD1 TYR 91 97.913 -3.443 0.953 683 HD2 TYR 91 HD2 TYR 91 99.681 0.014 -0.885 684 HE1 TYR 91 HE1 TYR 91 97.202 -4.264 -1.277 685 HE2 TYR 91 HE2 TYR 91 98.970 -0.807 -3.114 686 HH TYR 91 HH TYR 91 97.911 -2.394 -4.234 687 H ASN 92 HN ASN 92 102.039 0.036 1.436 688 HA ASN 92 HA ASN 92 103.105 -1.159 -1.046 689 HB2 ASN 92 HB2 ASN 92 103.380 1.543 0.276 690 HB3 ASN 92 HB1 ASN 92 104.382 1.083 -1.101 691 HD21 ASN 92 HD21 ASN 92 102.487 3.219 -1.303 692 HD22 ASN 92 HD22 ASN 92 101.252 2.742 -2.364 693 H ASN 93 HN ASN 93 103.831 -1.286 2.201 694 HA ASN 93 HA ASN 93 105.732 -1.966 3.392 695 HB2 ASN 93 HB2 ASN 93 106.326 -3.089 0.641 696 HB3 ASN 93 HB1 ASN 93 107.298 -3.449 2.068 697 HD21 ASN 93 HD21 ASN 93 105.749 -5.452 0.614 698 HD22 ASN 93 HD22 ASN 93 104.554 -6.029 1.674 699 H THR 94 HN THR 94 105.899 0.710 2.702 700 HA THR 94 HA THR 94 108.813 0.989 2.111 701 HB THR 94 HB THR 94 107.669 1.725 0.109 702 HG1 THR 94 HG1 THR 94 109.257 3.120 0.494 703 HG21 THR 94 HG21 THR 94 106.003 3.437 1.970 704 HG22 THR 94 HG22 THR 94 105.440 2.022 1.084 705 HG23 THR 94 HG23 THR 94 105.926 3.473 0.209 706 H PHE 95 HN PHE 95 109.881 2.337 3.520 707 HA PHE 95 HA PHE 95 108.197 3.867 5.481 708 HB2 PHE 95 HB2 PHE 95 110.824 2.448 6.035 709 HB3 PHE 95 HB1 PHE 95 109.816 3.290 7.212 710 HD1 PHE 95 HD1 PHE 95 109.879 0.416 4.846 711 HD2 PHE 95 HD2 PHE 95 107.962 2.215 8.236 712 HE1 PHE 95 HE1 PHE 95 108.560 -1.654 5.198 713 HE2 PHE 95 HE2 PHE 95 106.638 0.149 8.589 714 HZ PHE 95 HZ PHE 95 106.937 -1.786 7.068 715 H TYR 96 HN TYR 96 108.849 5.983 5.861 716 HA TYR 96 HA TYR 96 111.493 6.848 4.769 717 HB2 TYR 96 HB2 TYR 96 108.883 8.360 4.422 718 HB3 TYR 96 HB1 TYR 96 110.463 8.859 3.829 719 HD1 TYR 96 HD2 TYR 96 111.581 7.580 2.004 720 HD2 TYR 96 HD1 TYR 96 107.572 6.712 3.270 721 HE1 TYR 96 HE2 TYR 96 111.192 6.314 -0.093 722 HE2 TYR 96 HE1 TYR 96 107.181 5.449 1.174 723 HH TYR 96 HH TYR 96 108.146 5.440 -1.171 724 H SER 97 HN SER 97 112.453 8.543 5.979 725 HA SER 97 HA SER 97 110.922 9.866 8.111 726 HB2 SER 97 HB2 SER 97 112.304 9.085 9.939 727 HB3 SER 97 HB1 SER 97 111.683 7.668 9.100 728 HG SER 97 HG SER 97 114.158 8.842 8.411 729 H ARG 98 HN ARG 98 112.148 11.676 9.027 730 HA ARG 98 HA ARG 98 114.373 12.542 7.228 731 HB2 ARG 98 HB2 ARG 98 112.544 14.205 8.985 732 HB3 ARG 98 HB1 ARG 98 113.814 14.831 7.932 733 HG2 ARG 98 HG2 ARG 98 112.131 14.997 6.396 734 HG3 ARG 98 HG1 ARG 98 112.458 13.292 6.150 735 HD2 ARG 98 HD2 ARG 98 110.337 12.824 6.743 736 HD3 ARG 98 HD1 ARG 98 110.650 13.452 8.356 737 HE ARG 98 HE ARG 98 108.953 14.652 6.436 738 HH11 ARG 98 HH21 ARG 98 111.672 15.546 8.386 739 HH12 ARG 98 HH22 ARG 98 111.326 17.241 8.303 740 HH21 ARG 98 HH11 ARG 98 108.514 16.845 6.320 741 HH22 ARG 98 HH12 ARG 98 109.546 17.972 7.133 742 H LEU 99 HN LEU 99 116.309 13.117 8.083 743 HA LEU 99 HA LEU 99 116.728 12.459 10.953 744 HB2 LEU 99 HB2 LEU 99 118.699 12.970 8.708 745 HB3 LEU 99 HB1 LEU 99 119.149 12.564 10.362 746 HG LEU 99 HG LEU 99 117.441 10.836 8.551 747 HD11 LEU 99 HD11 LEU 99 119.592 9.349 8.921 748 HD12 LEU 99 HD12 LEU 99 120.368 10.907 9.206 749 HD13 LEU 99 HD13 LEU 99 119.576 10.586 7.663 750 HD21 LEU 99 HD21 LEU 99 118.184 9.169 10.479 751 HD22 LEU 99 HD22 LEU 99 116.783 10.214 10.703 752 HD23 LEU 99 HD23 LEU 99 118.337 10.656 11.414 753 HA PRO 100 HA PRO 100 116.888 16.718 12.307 754 HB2 PRO 100 HB2 PRO 100 119.428 15.875 13.655 755 HB3 PRO 100 HB1 PRO 100 118.035 16.746 14.323 756 HG2 PRO 100 HG2 PRO 100 118.458 14.151 14.812 757 HG3 PRO 100 HG1 PRO 100 116.832 14.836 14.663 758 HD2 PRO 100 HD2 PRO 100 118.286 13.059 12.792 759 HD3 PRO 100 HD1 PRO 100 116.540 13.320 12.979 760 H SER 101 HN SER 101 118.697 18.535 12.390 761 HA SER 101 HA SER 101 120.055 18.450 9.783 762 HB2 SER 101 HB2 SER 101 120.522 20.799 10.174 763 HB3 SER 101 HB1 SER 101 118.841 20.483 10.591 764 HG SER 101 HG SER 101 120.865 20.269 12.536 765 H LEU 102 HN LEU 102 120.846 17.609 12.959 766 HA LEU 102 HA LEU 102 123.748 17.658 12.262 767 HB2 LEU 102 HB2 LEU 102 123.315 19.606 13.692 768 HB3 LEU 102 HB1 LEU 102 122.556 18.565 14.896 769 HG LEU 102 HG LEU 102 124.664 17.370 15.240 770 HD11 LEU 102 HD11 LEU 102 125.496 19.045 12.893 771 HD12 LEU 102 HD12 LEU 102 125.821 17.342 13.221 772 HD13 LEU 102 HD13 LEU 102 126.711 18.593 14.088 773 HD21 LEU 102 HD21 LEU 102 124.980 20.389 15.293 774 HD22 LEU 102 HD22 LEU 102 125.989 19.252 16.187 775 HD23 LEU 102 HD23 LEU 102 124.274 19.399 16.570 776 H ILE 103 HN ILE 103 124.732 15.742 12.690 777 HA ILE 103 HA ILE 103 123.723 14.012 14.861 778 HB ILE 103 HB ILE 103 123.847 13.142 11.956 779 HG12 ILE 103 HG12 ILE 103 121.621 12.976 14.017 780 HG13 ILE 103 HG11 ILE 103 121.735 14.216 12.770 781 HG21 ILE 103 HG21 ILE 103 123.653 11.505 14.500 782 HG22 ILE 103 HG22 ILE 103 124.897 11.398 13.254 783 HG23 ILE 103 HG23 ILE 103 123.251 10.875 12.903 784 HD11 ILE 103 HD11 ILE 103 120.277 12.108 12.298 785 HD12 ILE 103 HD12 ILE 103 121.818 11.304 12.009 786 HD13 ILE 103 HD13 ILE 103 121.353 12.693 11.031 787 H SER 104 HN SER 104 125.666 14.038 15.966 788 HA SER 104 HA SER 104 128.164 13.533 14.428 789 HB2 SER 104 HB2 SER 104 129.337 14.289 16.416 790 HB3 SER 104 HB1 SER 104 128.072 15.453 16.031 791 HG SER 104 HG SER 104 128.026 13.391 17.983 792 H ASP 105 HN ASP 105 125.850 11.778 16.042 793 HA ASP 105 HA ASP 105 127.646 9.908 17.406 794 HB2 ASP 105 HB2 ASP 105 124.677 10.012 16.908 795 HB3 ASP 105 HB1 ASP 105 125.435 8.564 17.573 796 H ASN 106 HN ASN 106 127.998 7.730 16.767 797 HA ASN 106 HA ASN 106 127.835 7.313 13.822 798 HB2 ASN 106 HB2 ASN 106 129.427 5.882 15.973 799 HB3 ASN 106 HB1 ASN 106 129.457 5.460 14.261 800 HD21 ASN 106 HD21 ASN 106 131.576 6.696 16.157 801 HD22 ASN 106 HD22 ASN 106 132.134 8.052 15.303 802 H TRP 107 HN TRP 107 125.514 6.991 15.622 803 HA TRP 107 HA TRP 107 125.064 4.218 16.184 804 HB2 TRP 107 HB2 TRP 107 122.718 4.838 16.471 805 HB3 TRP 107 HB1 TRP 107 123.754 6.049 17.225 806 HD1 TRP 107 HD1 TRP 107 124.304 8.246 15.574 807 HE1 TRP 107 HE1 TRP 107 122.686 9.516 14.048 808 HE3 TRP 107 HE3 TRP 107 120.651 4.723 15.068 809 HZ2 TRP 107 HZ2 TRP 107 120.153 9.100 12.769 810 HZ3 TRP 107 HZ3 TRP 107 118.647 5.193 13.696 811 HH2 TRP 107 HH2 TRP 107 118.391 7.369 12.547 812 H LYS 108 HN LYS 108 123.507 2.815 15.107 813 HA LYS 108 HA LYS 108 123.015 3.376 12.235 814 HB2 LYS 108 HB2 LYS 108 123.961 1.233 11.549 815 HB3 LYS 108 HB1 LYS 108 125.199 2.160 12.396 816 HG2 LYS 108 HG2 LYS 108 124.667 0.919 14.486 817 HG3 LYS 108 HG1 LYS 108 123.493 -0.047 13.593 818 HD2 LYS 108 HD2 LYS 108 126.398 0.137 12.776 819 HD3 LYS 108 HD1 LYS 108 125.802 -1.096 13.886 820 HE2 LYS 108 HE2 LYS 108 124.062 -1.654 12.077 821 HE3 LYS 108 HE1 LYS 108 125.043 -0.671 10.991 822 HZ1 LYS 108 HZ1 LYS 108 126.898 -2.077 11.331 823 HZ2 LYS 108 HZ2 LYS 108 125.576 -3.087 10.987 824 HZ3 LYS 108 HZ3 LYS 108 126.129 -2.920 12.585 825 H PHE 109 HN PHE 109 121.367 1.856 11.332 826 HA PHE 109 HA PHE 109 119.978 0.149 13.294 827 HB2 PHE 109 HB2 PHE 109 117.883 1.277 13.240 828 HB3 PHE 109 HB1 PHE 109 119.073 2.540 13.538 829 HD1 PHE 109 HD1 PHE 109 116.851 1.014 11.015 830 HD2 PHE 109 HD2 PHE 109 119.570 4.225 11.870 831 HE1 PHE 109 HE1 PHE 109 116.081 2.206 8.983 832 HE2 PHE 109 HE2 PHE 109 118.796 5.421 9.842 833 HZ PHE 109 HZ PHE 109 117.053 4.409 8.395 834 H PHE 110 HN PHE 110 118.234 -1.157 12.156 835 HA PHE 110 HA PHE 110 118.363 -1.044 9.216 836 HB2 PHE 110 HB2 PHE 110 119.001 -3.518 9.142 837 HB3 PHE 110 HB1 PHE 110 120.290 -2.406 9.601 838 HD1 PHE 110 HD2 PHE 110 120.693 -2.007 12.107 839 HD2 PHE 110 HD1 PHE 110 118.360 -5.274 10.577 840 HE1 PHE 110 HE2 PHE 110 120.970 -3.212 14.254 841 HE2 PHE 110 HE1 PHE 110 118.641 -6.481 12.725 842 HZ PHE 110 HZ PHE 110 119.948 -5.452 14.560 843 H CYS 111 HN CYS 111 116.846 -2.465 8.171 844 HA CYS 111 HA CYS 111 114.641 -3.464 9.935 845 HB2 CYS 111 HB2 CYS 111 114.428 -2.025 7.270 846 HB3 CYS 111 HB1 CYS 111 113.078 -2.832 8.064 847 H VAL 112 HN VAL 112 113.501 -5.346 8.989 848 HA VAL 112 HA VAL 112 115.097 -6.714 6.850 849 HB VAL 112 HB VAL 112 114.098 -7.839 9.471 850 HG11 VAL 112 HG11 VAL 112 115.128 -10.002 8.439 851 HG12 VAL 112 HG12 VAL 112 114.854 -9.202 6.891 852 HG13 VAL 112 HG13 VAL 112 113.494 -9.543 7.960 853 HG21 VAL 112 HG21 VAL 112 116.810 -7.876 8.110 854 HG22 VAL 112 HG22 VAL 112 116.451 -8.442 9.741 855 HG23 VAL 112 HG23 VAL 112 116.344 -6.723 9.359 856 H CYS 113 HN CYS 113 114.002 -7.849 5.353 857 HA CYS 113 HA CYS 113 111.027 -8.064 5.588 858 HB2 CYS 113 HB2 CYS 113 112.658 -7.479 3.089 859 HB3 CYS 113 HB1 CYS 113 110.915 -7.732 3.129 860 H SER 114 HN SER 114 110.316 -10.224 5.216 861 HA SER 114 HA SER 114 111.852 -12.026 3.539 862 HB2 SER 114 HB2 SER 114 112.683 -13.518 5.271 863 HB3 SER 114 HB1 SER 114 113.303 -11.894 5.564 864 HG SER 114 HG SER 114 110.927 -12.139 6.743 865 H LYS 115 HN LYS 115 111.137 -14.388 4.044 866 HA LYS 115 HA LYS 115 108.430 -14.684 5.134 867 HB2 LYS 115 HB2 LYS 115 109.039 -14.989 2.186 868 HB3 LYS 115 HB1 LYS 115 107.691 -15.830 2.949 869 HG2 LYS 115 HG2 LYS 115 107.022 -13.476 3.842 870 HG3 LYS 115 HG1 LYS 115 108.097 -12.870 2.580 871 HD2 LYS 115 HD2 LYS 115 105.685 -14.666 2.207 872 HD3 LYS 115 HD1 LYS 115 105.859 -13.001 1.655 873 HE2 LYS 115 HE2 LYS 115 106.387 -14.127 -0.299 874 HE3 LYS 115 HE1 LYS 115 107.993 -13.997 0.416 875 HZ1 LYS 115 HZ1 LYS 115 106.339 -16.296 1.147 876 HZ2 LYS 115 HZ2 LYS 115 108.025 -16.186 0.966 877 HZ3 LYS 115 HZ3 LYS 115 107.026 -16.280 -0.404 878 H ASP 116 HN ASP 116 107.843 -17.069 5.120 879 HA ASP 116 HA ASP 116 110.017 -18.661 6.027 880 HB2 ASP 116 HB2 ASP 116 107.279 -19.424 4.977 881 HB3 ASP 116 HB1 ASP 116 108.411 -20.600 5.647 882 H ASN 117 HN ASN 117 111.091 -20.464 4.968 883 HA ASN 117 HA ASN 117 112.384 -21.235 3.136 884 HB2 ASN 117 HB2 ASN 117 110.095 -22.364 2.932 885 HB3 ASN 117 HB1 ASN 117 109.724 -21.164 1.694 886 HD21 ASN 117 HD21 ASN 117 109.736 -22.666 -0.095 887 HD22 ASN 117 HD22 ASN 117 111.153 -23.443 -0.614 888 H GLU 118 HN GLU 118 113.007 -18.678 3.178 889 HA GLU 118 HA GLU 118 113.217 -17.928 0.378 890 HB2 GLU 118 HB2 GLU 118 111.380 -16.387 2.213 891 HB3 GLU 118 HB1 GLU 118 112.149 -15.614 0.830 892 HG2 GLU 118 HG2 GLU 118 111.164 -17.662 -0.506 893 HG3 GLU 118 HG1 GLU 118 110.085 -17.799 0.882 894 H LYS 119 HN LYS 119 114.883 -16.398 0.066 895 HA LYS 119 HA LYS 119 116.790 -16.095 2.190 896 HB2 LYS 119 HB2 LYS 119 116.506 -14.635 -0.458 897 HB3 LYS 119 HB1 LYS 119 117.905 -14.489 0.606 898 HG2 LYS 119 HG2 LYS 119 118.291 -16.926 0.428 899 HG3 LYS 119 HG1 LYS 119 116.901 -17.063 -0.650 900 HD2 LYS 119 HD2 LYS 119 117.988 -15.555 -2.265 901 HD3 LYS 119 HD1 LYS 119 119.375 -15.392 -1.189 902 HE2 LYS 119 HE2 LYS 119 119.795 -17.818 -1.356 903 HE3 LYS 119 HE1 LYS 119 118.407 -17.984 -2.433 904 HZ1 LYS 119 HZ1 LYS 119 119.470 -16.550 -4.022 905 HZ2 LYS 119 HZ2 LYS 119 120.528 -17.821 -3.629 906 HZ3 LYS 119 HZ3 LYS 119 120.773 -16.274 -2.974 907 H LYS 120 HN LYS 120 116.989 -14.470 3.712 908 HA LYS 120 HA LYS 120 114.807 -12.518 3.893 909 HB2 LYS 120 HB2 LYS 120 115.838 -11.910 6.052 910 HB3 LYS 120 HB1 LYS 120 115.607 -13.652 5.921 911 HG2 LYS 120 HG2 LYS 120 117.977 -13.884 5.200 912 HG3 LYS 120 HG1 LYS 120 118.193 -12.148 5.435 913 HD2 LYS 120 HD2 LYS 120 117.587 -12.382 7.813 914 HD3 LYS 120 HD1 LYS 120 117.353 -14.116 7.586 915 HE2 LYS 120 HE2 LYS 120 119.713 -14.364 6.944 916 HE3 LYS 120 HE1 LYS 120 119.954 -12.627 7.135 917 HZ1 LYS 120 HZ1 LYS 120 118.792 -13.474 9.478 918 HZ2 LYS 120 HZ2 LYS 120 120.418 -13.040 9.245 919 HZ3 LYS 120 HZ3 LYS 120 119.942 -14.666 9.111 920 H LEU 121 HN LEU 121 115.051 -10.265 3.861 921 HA LEU 121 HA LEU 121 117.536 -9.291 2.492 922 HB2 LEU 121 HB2 LEU 121 114.739 -8.117 2.468 923 HB3 LEU 121 HB1 LEU 121 116.129 -7.480 1.589 924 HG LEU 121 HG LEU 121 115.067 -10.293 1.210 925 HD11 LEU 121 HD11 LEU 121 113.293 -9.000 0.392 926 HD12 LEU 121 HD12 LEU 121 114.303 -9.192 -1.042 927 HD13 LEU 121 HD13 LEU 121 114.357 -7.689 -0.119 928 HD21 LEU 121 HD21 LEU 121 116.350 -9.898 -1.011 929 HD22 LEU 121 HD22 LEU 121 117.304 -10.198 0.440 930 HD23 LEU 121 HD23 LEU 121 117.114 -8.552 -0.168 931 H VAL 122 HN VAL 122 118.815 -7.954 3.748 932 HA VAL 122 HA VAL 122 117.548 -6.703 6.143 933 HB VAL 122 HB VAL 122 120.398 -7.517 5.534 934 HG11 VAL 122 HG11 VAL 122 120.777 -5.507 6.656 935 HG12 VAL 122 HG12 VAL 122 120.672 -6.641 8.003 936 HG13 VAL 122 HG13 VAL 122 119.286 -5.632 7.590 937 HG21 VAL 122 HG21 VAL 122 120.049 -9.235 7.007 938 HG22 VAL 122 HG22 VAL 122 118.349 -8.975 6.621 939 HG23 VAL 122 HG23 VAL 122 119.044 -8.256 8.073 940 H PHE 123 HN PHE 123 117.426 -4.540 6.246 941 HA PHE 123 HA PHE 123 118.894 -2.918 4.198 942 HB2 PHE 123 HB2 PHE 123 116.488 -2.668 3.988 943 HB3 PHE 123 HB1 PHE 123 116.315 -2.424 5.723 944 HD1 PHE 123 HD1 PHE 123 118.170 -0.999 2.805 945 HD2 PHE 123 HD2 PHE 123 116.169 -0.235 6.520 946 HE1 PHE 123 HE1 PHE 123 118.476 1.434 2.464 947 HE2 PHE 123 HE2 PHE 123 116.476 2.204 6.188 948 HZ PHE 123 HZ PHE 123 117.629 3.041 4.157 949 H THR 124 HN THR 124 120.609 -1.771 5.088 950 HA THR 124 HA THR 124 120.316 -0.859 7.920 951 HB THR 124 HB THR 124 121.670 -3.021 7.667 952 HG1 THR 124 HG1 THR 124 123.481 -1.458 8.821 953 HG21 THR 124 HG21 THR 124 123.796 -1.102 6.702 954 HG22 THR 124 HG22 THR 124 122.873 -2.133 5.609 955 HG23 THR 124 HG23 THR 124 123.905 -2.858 6.840 956 H VAL 125 HN VAL 125 121.268 1.057 8.444 957 HA VAL 125 HA VAL 125 122.988 2.408 6.440 958 HB VAL 125 HB VAL 125 121.710 4.415 6.445 959 HG11 VAL 125 HG11 VAL 125 120.739 2.269 5.270 960 HG12 VAL 125 HG12 VAL 125 119.759 3.732 5.361 961 HG13 VAL 125 HG13 VAL 125 119.475 2.408 6.491 962 HG21 VAL 125 HG21 VAL 125 119.634 4.583 7.902 963 HG22 VAL 125 HG22 VAL 125 121.165 4.623 8.775 964 HG23 VAL 125 HG23 VAL 125 120.204 3.143 8.744 965 H GLU 126 HN GLU 126 124.250 4.184 7.478 966 HA GLU 126 HA GLU 126 124.317 3.988 10.462 967 HB2 GLU 126 HB2 GLU 126 126.094 2.555 9.477 968 HB3 GLU 126 HB1 GLU 126 126.748 3.970 8.652 969 HG2 GLU 126 HG2 GLU 126 126.317 4.003 11.632 970 HG3 GLU 126 HG1 GLU 126 127.777 3.288 10.949 971 H ALA 127 HN ALA 127 125.243 5.857 11.513 972 HA ALA 127 HA ALA 127 126.024 8.195 9.967 973 HB1 ALA 127 HB1 ALA 127 123.419 8.027 9.880 974 HB2 ALA 127 HB2 ALA 127 124.153 9.576 10.297 975 HB3 ALA 127 HB3 ALA 127 123.496 8.541 11.565
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