NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627792 | 5xzk | 36103 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 171.515 1.688 13.893 2 H2 ALA 1 HT2 ALA 1 170.671 1.214 15.281 3 H3 ALA 1 HT3 ALA 1 170.274 0.542 13.779 4 HA ALA 1 HA ALA 1 172.845 0.185 15.206 5 HB1 ALA 1 HB1 ALA 1 170.987 -0.986 16.287 6 HB2 ALA 1 HB2 ALA 1 172.128 -2.115 15.557 7 HB3 ALA 1 HB3 ALA 1 170.595 -1.772 14.757 8 HA PRO 2 HA PRO 2 174.771 -0.901 11.402 9 HB2 PRO 2 HB2 PRO 2 175.706 -3.370 12.777 10 HB3 PRO 2 HB1 PRO 2 176.642 -2.125 11.937 11 HG2 PRO 2 HG2 PRO 2 176.642 -2.243 14.588 12 HG3 PRO 2 HG1 PRO 2 176.631 -0.684 13.738 13 HD2 PRO 2 HD2 PRO 2 174.405 -2.082 15.140 14 HD3 PRO 2 HD1 PRO 2 174.758 -0.346 15.023 15 H VAL 3 HN VAL 3 174.243 -2.025 9.598 16 HA VAL 3 HA VAL 3 172.759 -4.535 9.877 17 HB VAL 3 HB VAL 3 171.134 -3.827 8.161 18 HG11 VAL 3 HG11 VAL 3 171.225 -2.049 10.596 19 HG12 VAL 3 HG12 VAL 3 170.543 -3.673 10.517 20 HG13 VAL 3 HG13 VAL 3 169.802 -2.360 9.603 21 HG21 VAL 3 HG21 VAL 3 172.449 -1.132 8.487 22 HG22 VAL 3 HG22 VAL 3 170.918 -1.409 7.658 23 HG23 VAL 3 HG23 VAL 3 172.403 -2.121 7.027 24 HA PRO 4 HA PRO 4 175.746 -5.761 6.788 25 HB2 PRO 4 HB2 PRO 4 173.740 -7.874 6.221 26 HB3 PRO 4 HB1 PRO 4 175.452 -8.029 6.635 27 HG2 PRO 4 HG2 PRO 4 173.574 -8.629 8.415 28 HG3 PRO 4 HG1 PRO 4 175.081 -7.827 8.901 29 HD2 PRO 4 HD2 PRO 4 172.354 -6.669 8.566 30 HD3 PRO 4 HD1 PRO 4 173.603 -6.296 9.772 31 H VAL 5 HN VAL 5 175.988 -5.515 4.603 32 HA VAL 5 HA VAL 5 173.747 -4.322 3.182 33 HB VAL 5 HB VAL 5 176.606 -4.689 2.272 34 HG11 VAL 5 HG11 VAL 5 175.024 -4.404 0.428 35 HG12 VAL 5 HG12 VAL 5 176.069 -2.994 0.600 36 HG13 VAL 5 HG13 VAL 5 174.406 -2.935 1.182 37 HG21 VAL 5 HG21 VAL 5 176.883 -2.316 2.839 38 HG22 VAL 5 HG22 VAL 5 176.500 -3.291 4.257 39 HG23 VAL 5 HG23 VAL 5 175.253 -2.294 3.510 40 H THR 6 HN THR 6 172.448 -5.480 1.933 41 HA THR 6 HA THR 6 173.114 -8.184 1.189 42 HB THR 6 HB THR 6 170.873 -8.246 0.169 43 HG1 THR 6 HG1 THR 6 170.636 -5.543 1.045 44 HG21 THR 6 HG21 THR 6 171.094 -8.717 2.555 45 HG22 THR 6 HG22 THR 6 169.569 -7.896 2.221 46 HG23 THR 6 HG23 THR 6 170.918 -7.001 2.921 47 H LYS 7 HN LYS 7 172.873 -5.060 -0.386 48 HA LYS 7 HA LYS 7 174.220 -6.172 -2.727 49 HB2 LYS 7 HB2 LYS 7 171.744 -6.149 -3.166 50 HB3 LYS 7 HB1 LYS 7 171.785 -4.401 -2.985 51 HG2 LYS 7 HG2 LYS 7 171.818 -4.991 -5.320 52 HG3 LYS 7 HG1 LYS 7 173.359 -4.262 -4.866 53 HD2 LYS 7 HD2 LYS 7 174.370 -6.477 -4.703 54 HD3 LYS 7 HD1 LYS 7 172.825 -7.222 -5.114 55 HE2 LYS 7 HE2 LYS 7 172.871 -6.087 -7.290 56 HE3 LYS 7 HE1 LYS 7 174.428 -5.371 -6.875 57 HZ1 LYS 7 HZ1 LYS 7 173.880 -8.280 -7.125 58 HZ2 LYS 7 HZ2 LYS 7 175.376 -7.587 -6.744 59 HZ3 LYS 7 HZ3 LYS 7 174.688 -7.329 -8.267 60 H LEU 8 HN LEU 8 175.581 -4.728 -3.763 61 HA LEU 8 HA LEU 8 175.610 -1.956 -2.817 62 HB2 LEU 8 HB2 LEU 8 177.193 -3.503 -1.499 63 HB3 LEU 8 HB1 LEU 8 178.156 -3.544 -2.962 64 HG LEU 8 HG LEU 8 179.044 -1.910 -1.403 65 HD11 LEU 8 HD11 LEU 8 179.224 -0.042 -2.868 66 HD12 LEU 8 HD12 LEU 8 177.717 -0.460 -3.681 67 HD13 LEU 8 HD13 LEU 8 179.133 -1.495 -3.862 68 HD21 LEU 8 HD21 LEU 8 176.356 -0.561 -1.617 69 HD22 LEU 8 HD22 LEU 8 177.768 0.066 -0.766 70 HD23 LEU 8 HD23 LEU 8 176.979 -1.407 -0.201 71 H VAL 9 HN VAL 9 175.384 -0.812 -4.624 72 HA VAL 9 HA VAL 9 176.878 -1.654 -7.021 73 HB VAL 9 HB VAL 9 175.237 -0.355 -8.335 74 HG11 VAL 9 HG11 VAL 9 173.358 -1.912 -8.083 75 HG12 VAL 9 HG12 VAL 9 174.025 -2.458 -6.545 76 HG13 VAL 9 HG13 VAL 9 174.913 -2.745 -8.042 77 HG21 VAL 9 HG21 VAL 9 174.565 1.254 -6.643 78 HG22 VAL 9 HG22 VAL 9 173.824 -0.031 -5.689 79 HG23 VAL 9 HG23 VAL 9 173.155 0.395 -7.265 80 H CYS 10 HN CYS 10 177.498 0.185 -8.480 81 HA CYS 10 HA CYS 10 177.995 2.706 -7.100 82 HB2 CYS 10 HB2 CYS 10 179.972 1.335 -6.604 83 HB3 CYS 10 HB1 CYS 10 180.209 1.044 -8.324 84 HG CYS 10 HG CYS 10 181.113 3.656 -6.464 85 H ASP 11 HN ASP 11 178.498 4.451 -8.503 86 HA ASP 11 HA ASP 11 178.082 3.903 -11.364 87 HB2 ASP 11 HB2 ASP 11 175.991 4.764 -10.388 88 HB3 ASP 11 HB1 ASP 11 176.855 6.178 -9.790 89 H GLY 12 HN GLY 12 179.738 4.600 -12.530 90 HA2 GLY 12 HA2 GLY 12 181.665 6.433 -11.383 91 HA3 GLY 12 HA1 GLY 12 181.805 5.598 -12.924 92 H ASP 13 HN ASP 13 179.102 6.551 -13.741 93 HA ASP 13 HA ASP 13 179.880 8.818 -15.182 94 HB2 ASP 13 HB2 ASP 13 177.085 7.886 -14.489 95 HB3 ASP 13 HB1 ASP 13 177.485 9.057 -15.742 96 H THR 14 HN THR 14 178.360 8.483 -12.048 97 HA THR 14 HA THR 14 178.395 11.419 -11.770 98 HB THR 14 HB THR 14 176.599 11.185 -10.088 99 HG1 THR 14 HG1 THR 14 176.808 9.080 -9.406 100 HG21 THR 14 HG21 THR 14 176.018 11.698 -12.406 101 HG22 THR 14 HG22 THR 14 174.780 10.690 -11.658 102 HG23 THR 14 HG23 THR 14 175.941 9.976 -12.777 103 H TYR 15 HN TYR 15 179.917 8.635 -10.810 104 HA TYR 15 HA TYR 15 181.414 8.138 -9.176 105 HB2 TYR 15 HB2 TYR 15 181.245 11.082 -8.499 106 HB3 TYR 15 HB1 TYR 15 182.527 9.973 -8.022 107 HD1 TYR 15 HD1 TYR 15 181.250 12.120 -10.634 108 HD2 TYR 15 HD2 TYR 15 184.055 9.041 -9.767 109 HE1 TYR 15 HE1 TYR 15 182.480 12.670 -12.691 110 HE2 TYR 15 HE2 TYR 15 185.294 9.584 -11.822 111 HH TYR 15 HH TYR 15 184.885 10.655 -13.990 112 H LYS 16 HN LYS 16 178.447 8.233 -8.660 113 HA LYS 16 HA LYS 16 178.493 8.545 -5.735 114 HB2 LYS 16 HB2 LYS 16 176.150 8.439 -7.644 115 HB3 LYS 16 HB1 LYS 16 176.016 8.573 -5.896 116 HG2 LYS 16 HG2 LYS 16 177.215 10.714 -5.984 117 HG3 LYS 16 HG1 LYS 16 177.287 10.584 -7.742 118 HD2 LYS 16 HD2 LYS 16 174.856 10.607 -7.863 119 HD3 LYS 16 HD1 LYS 16 174.755 10.670 -6.102 120 HE2 LYS 16 HE2 LYS 16 174.423 12.880 -7.060 121 HE3 LYS 16 HE1 LYS 16 175.911 12.829 -6.119 122 HZ1 LYS 16 HZ1 LYS 16 176.252 13.990 -8.194 123 HZ2 LYS 16 HZ2 LYS 16 175.716 12.651 -9.076 124 HZ3 LYS 16 HZ3 LYS 16 177.151 12.556 -8.187 125 H CYS 17 HN CYS 17 178.567 6.771 -4.539 126 HA CYS 17 HA CYS 17 177.948 4.194 -5.789 127 HB2 CYS 17 HB2 CYS 17 180.167 4.415 -4.763 128 HB3 CYS 17 HB1 CYS 17 179.422 4.820 -3.220 129 HG CYS 17 HG CYS 17 178.427 1.892 -4.522 130 H THR 18 HN THR 18 176.016 3.347 -5.430 131 HA THR 18 HA THR 18 174.475 4.198 -3.096 132 HB THR 18 HB THR 18 173.596 2.543 -5.472 133 HG1 THR 18 HG1 THR 18 172.487 4.598 -5.962 134 HG21 THR 18 HG21 THR 18 172.017 3.846 -3.251 135 HG22 THR 18 HG22 THR 18 172.209 2.116 -3.528 136 HG23 THR 18 HG23 THR 18 171.316 3.100 -4.686 137 H ALA 19 HN ALA 19 173.376 2.654 -1.758 138 HA ALA 19 HA ALA 19 174.400 -0.086 -1.838 139 HB1 ALA 19 HB1 ALA 19 174.976 -0.059 0.526 140 HB2 ALA 19 HB2 ALA 19 174.534 1.646 0.629 141 HB3 ALA 19 HB3 ALA 19 175.910 1.150 -0.356 142 H TYR 20 HN TYR 20 173.101 -1.612 -0.758 143 HA TYR 20 HA TYR 20 170.392 -0.641 -0.128 144 HB2 TYR 20 HB2 TYR 20 171.254 -3.339 -1.196 145 HB3 TYR 20 HB1 TYR 20 169.599 -2.889 -0.793 146 HD1 TYR 20 HD1 TYR 20 168.298 -1.505 -2.263 147 HD2 TYR 20 HD2 TYR 20 172.375 -2.337 -3.145 148 HE1 TYR 20 HE1 TYR 20 167.976 -0.633 -4.539 149 HE2 TYR 20 HE2 TYR 20 172.067 -1.466 -5.423 150 HH TYR 20 HH TYR 20 169.330 0.313 -6.357 151 H LEU 21 HN LEU 21 170.029 -0.615 1.984 152 HA LEU 21 HA LEU 21 171.467 -2.422 3.751 153 HB2 LEU 21 HB2 LEU 21 169.496 -0.230 4.399 154 HB3 LEU 21 HB1 LEU 21 170.474 -1.105 5.561 155 HG LEU 21 HG LEU 21 171.496 0.766 3.423 156 HD11 LEU 21 HD11 LEU 21 170.421 1.909 5.287 157 HD12 LEU 21 HD12 LEU 21 172.167 2.161 5.312 158 HD13 LEU 21 HD13 LEU 21 171.425 1.013 6.426 159 HD21 LEU 21 HD21 LEU 21 173.041 -1.087 3.791 160 HD22 LEU 21 HD22 LEU 21 173.002 -0.784 5.528 161 HD23 LEU 21 HD23 LEU 21 173.691 0.419 4.437 162 H ASP 22 HN ASP 22 170.404 -3.738 5.324 163 HA ASP 22 HA ASP 22 167.895 -4.854 4.319 164 HB2 ASP 22 HB2 ASP 22 169.805 -6.379 4.723 165 HB3 ASP 22 HB1 ASP 22 169.785 -5.931 6.425 166 H TYR 23 HN TYR 23 168.299 -2.333 6.026 167 HA TYR 23 HA TYR 23 167.060 -2.941 8.539 168 HB2 TYR 23 HB2 TYR 23 168.595 -1.047 8.321 169 HB3 TYR 23 HB1 TYR 23 167.519 -0.292 7.150 170 HD1 TYR 23 HD1 TYR 23 168.016 -1.101 10.695 171 HD2 TYR 23 HD2 TYR 23 165.497 0.825 7.859 172 HE1 TYR 23 HE1 TYR 23 166.845 0.048 12.525 173 HE2 TYR 23 HE2 TYR 23 164.318 1.979 9.681 174 HH TYR 23 HH TYR 23 165.492 2.076 12.860 175 H GLY 24 HN GLY 24 164.993 -3.504 8.690 176 HA2 GLY 24 HA2 GLY 24 162.691 -3.156 8.600 177 HA3 GLY 24 HA1 GLY 24 162.960 -1.836 7.472 178 H ASP 25 HN ASP 25 162.186 -2.179 5.510 179 HA ASP 25 HA ASP 25 161.584 -4.899 4.663 180 HB2 ASP 25 HB2 ASP 25 160.925 -2.240 3.378 181 HB3 ASP 25 HB1 ASP 25 160.360 -3.808 2.812 182 H GLY 26 HN GLY 26 163.760 -2.279 3.907 183 HA2 GLY 26 HA2 GLY 26 165.906 -2.913 2.922 184 HA3 GLY 26 HA1 GLY 26 165.021 -4.009 1.872 185 H LYS 27 HN LYS 27 163.848 -0.799 2.566 186 HA LYS 27 HA LYS 27 164.160 -0.124 -0.260 187 HB2 LYS 27 HB2 LYS 27 162.573 1.235 1.926 188 HB3 LYS 27 HB1 LYS 27 162.587 1.717 0.235 189 HG2 LYS 27 HG2 LYS 27 161.610 -0.923 1.306 190 HG3 LYS 27 HG1 LYS 27 160.599 0.424 0.778 191 HD2 LYS 27 HD2 LYS 27 161.521 0.228 -1.481 192 HD3 LYS 27 HD1 LYS 27 162.536 -1.115 -0.952 193 HE2 LYS 27 HE2 LYS 27 160.545 -1.922 -2.105 194 HE3 LYS 27 HE1 LYS 27 160.543 -2.418 -0.412 195 HZ1 LYS 27 HZ1 LYS 27 158.370 -1.625 -1.105 196 HZ2 LYS 27 HZ2 LYS 27 159.024 -0.128 -1.543 197 HZ3 LYS 27 HZ3 LYS 27 159.021 -0.606 0.079 198 H TRP 28 HN TRP 28 165.214 0.862 2.921 199 HA TRP 28 HA TRP 28 166.251 3.391 2.292 200 HB2 TRP 28 HB2 TRP 28 167.221 1.410 4.364 201 HB3 TRP 28 HB1 TRP 28 167.626 3.123 4.320 202 HD1 TRP 28 HD1 TRP 28 164.788 0.739 5.214 203 HE1 TRP 28 HE1 TRP 28 162.989 2.043 6.514 204 HE3 TRP 28 HE3 TRP 28 166.615 5.475 4.604 205 HZ2 TRP 28 HZ2 TRP 28 162.419 4.723 7.193 206 HZ3 TRP 28 HZ3 TRP 28 165.382 7.353 5.610 207 HH2 TRP 28 HH2 TRP 28 163.328 6.983 6.877 208 H VAL 29 HN VAL 29 168.235 4.091 1.591 209 HA VAL 29 HA VAL 29 170.307 2.139 0.975 210 HB VAL 29 HB VAL 29 170.553 2.930 -1.347 211 HG11 VAL 29 HG11 VAL 29 168.625 1.738 -2.281 212 HG12 VAL 29 HG12 VAL 29 167.828 1.803 -0.708 213 HG13 VAL 29 HG13 VAL 29 169.317 0.880 -0.904 214 HG21 VAL 29 HG21 VAL 29 168.735 4.198 -2.401 215 HG22 VAL 29 HG22 VAL 29 169.518 5.121 -1.118 216 HG23 VAL 29 HG23 VAL 29 167.950 4.367 -0.831 217 H ALA 30 HN ALA 30 172.364 3.004 0.845 218 HA ALA 30 HA ALA 30 172.594 5.776 1.774 219 HB1 ALA 30 HB1 ALA 30 173.672 4.102 3.166 220 HB2 ALA 30 HB2 ALA 30 174.881 5.158 2.433 221 HB3 ALA 30 HB3 ALA 30 174.617 3.537 1.789 222 H GLN 31 HN GLN 31 174.381 7.093 0.916 223 HA GLN 31 HA GLN 31 175.426 6.374 -1.685 224 HB2 GLN 31 HB2 GLN 31 173.555 8.724 -1.349 225 HB3 GLN 31 HB1 GLN 31 174.530 8.418 -2.780 226 HG2 GLN 31 HG2 GLN 31 173.348 6.277 -3.088 227 HG3 GLN 31 HG1 GLN 31 172.328 6.671 -1.705 228 HE21 GLN 31 HE21 GLN 31 171.603 6.204 -4.492 229 HE22 GLN 31 HE22 GLN 31 170.782 7.630 -5.019 230 H TRP 32 HN TRP 32 177.384 7.232 -1.999 231 HA TRP 32 HA TRP 32 178.135 9.741 -0.762 232 HB2 TRP 32 HB2 TRP 32 180.117 8.793 0.365 233 HB3 TRP 32 HB1 TRP 32 178.614 8.170 1.037 234 HD1 TRP 32 HD1 TRP 32 181.831 7.063 -0.532 235 HE1 TRP 32 HE1 TRP 32 181.863 4.498 -0.733 236 HE3 TRP 32 HE3 TRP 32 176.930 6.098 0.560 237 HZ2 TRP 32 HZ2 TRP 32 180.052 2.349 -0.468 238 HZ3 TRP 32 HZ3 TRP 32 176.160 3.761 0.563 239 HH2 TRP 32 HH2 TRP 32 177.692 1.927 0.060 240 H ASP 33 HN ASP 33 179.462 10.846 -2.052 241 HA ASP 33 HA ASP 33 180.119 9.996 -4.616 242 HB2 ASP 33 HB2 ASP 33 181.433 12.164 -2.966 243 HB3 ASP 33 HB1 ASP 33 181.593 11.979 -4.710 244 H THR 34 HN THR 34 182.014 9.310 -5.598 245 HA THR 34 HA THR 34 184.363 8.740 -4.005 246 HB THR 34 HB THR 34 184.431 6.350 -4.531 247 HG1 THR 34 HG1 THR 34 183.190 5.801 -6.164 248 HG21 THR 34 HG21 THR 34 181.839 7.098 -3.173 249 HG22 THR 34 HG22 THR 34 183.425 7.096 -2.402 250 HG23 THR 34 HG23 THR 34 182.725 5.585 -2.984 251 H ALA 35 HN ALA 35 186.108 9.090 -5.216 252 HA ALA 35 HA ALA 35 185.964 9.829 -7.917 253 HB1 ALA 35 HB1 ALA 35 188.387 8.936 -6.356 254 HB2 ALA 35 HB2 ALA 35 187.746 10.578 -6.415 255 HB3 ALA 35 HB3 ALA 35 188.401 9.835 -7.874 256 H VAL 36 HN VAL 36 186.544 8.785 -9.812 257 HA VAL 36 HA VAL 36 187.096 5.908 -9.652 258 HB VAL 36 HB VAL 36 185.020 7.099 -11.497 259 HG11 VAL 36 HG11 VAL 36 184.502 4.758 -12.025 260 HG12 VAL 36 HG12 VAL 36 185.837 4.238 -10.999 261 HG13 VAL 36 HG13 VAL 36 186.159 5.178 -12.456 262 HG21 VAL 36 HG21 VAL 36 183.379 5.878 -10.141 263 HG22 VAL 36 HG22 VAL 36 184.225 7.104 -9.197 264 HG23 VAL 36 HG23 VAL 36 184.661 5.404 -9.026 265 H PHE 37 HN PHE 37 188.222 5.044 -11.414 266 HA PHE 37 HA PHE 37 188.851 6.527 -13.750 267 HB2 PHE 37 HB2 PHE 37 191.253 6.889 -13.310 268 HB3 PHE 37 HB1 PHE 37 190.236 7.823 -12.216 269 HD1 PHE 37 HD1 PHE 37 189.949 7.070 -9.864 270 HD2 PHE 37 HD2 PHE 37 192.759 5.264 -12.500 271 HE1 PHE 37 HE1 PHE 37 191.128 6.099 -7.936 272 HE2 PHE 37 HE2 PHE 37 193.943 4.290 -10.576 273 HZ PHE 37 HZ PHE 37 193.128 4.707 -8.290 274 H HIS 38 HN HIS 38 190.693 5.428 -14.986 275 HA HIS 38 HA HIS 38 190.256 2.560 -14.801 276 HB2 HIS 38 HB2 HIS 38 190.063 3.682 -16.988 277 HB3 HIS 38 HB1 HIS 38 191.748 4.177 -16.879 278 HD1 HIS 38 HD1 HIS 38 193.534 2.417 -17.399 279 HD2 HIS 38 HD2 HIS 38 189.650 0.948 -17.561 280 HE1 HIS 38 HE1 HIS 38 193.715 0.151 -18.475 281 HE2 HIS 38 HE2 HIS 38 191.353 -0.721 -18.562 282 H THR 39 HN THR 39 191.866 1.026 -14.539 283 HA THR 39 HA THR 39 194.490 2.052 -13.671 284 HB THR 39 HB THR 39 194.612 0.204 -12.046 285 HG1 THR 39 HG1 THR 39 193.098 -1.196 -13.121 286 HG21 THR 39 HG21 THR 39 192.974 1.081 -10.434 287 HG22 THR 39 HG22 THR 39 192.159 1.941 -11.741 288 HG23 THR 39 HG23 THR 39 193.807 2.379 -11.290 289 H THR 40 HN THR 40 196.263 1.072 -14.482 290 HA THR 40 HA THR 40 195.834 -0.979 -16.515 291 HB THR 40 HB THR 40 198.152 -0.516 -17.205 292 HG1 THR 40 HG1 THR 40 198.110 1.489 -15.176 293 HG21 THR 40 HG21 THR 40 197.803 1.777 -18.008 294 HG22 THR 40 HG22 THR 40 196.475 1.974 -16.863 295 HG23 THR 40 HG23 THR 40 196.340 0.807 -18.178 296 H1 ALA 1 HT1 ALA 1 198.197 -1.675 2.887 297 H2 ALA 1 HT2 ALA 1 199.727 -2.386 2.760 298 H3 ALA 1 HT3 ALA 1 198.491 -3.185 3.593 299 HA ALA 1 HA ALA 1 198.516 -2.587 0.692 300 HB1 ALA 1 HB1 ALA 1 200.134 -4.313 1.321 301 HB2 ALA 1 HB2 ALA 1 198.802 -4.983 0.379 302 HB3 ALA 1 HB3 ALA 1 198.853 -5.218 2.126 303 HA PRO 2 HA PRO 2 194.137 -3.010 0.598 304 HB2 PRO 2 HB2 PRO 2 194.543 -4.962 -1.612 305 HB3 PRO 2 HB1 PRO 2 193.568 -3.487 -1.578 306 HG2 PRO 2 HG2 PRO 2 195.875 -3.540 -2.888 307 HG3 PRO 2 HG1 PRO 2 195.370 -2.103 -1.976 308 HD2 PRO 2 HD2 PRO 2 197.405 -4.163 -1.273 309 HD3 PRO 2 HD1 PRO 2 197.402 -2.416 -0.953 310 H VAL 3 HN VAL 3 192.626 -4.286 1.538 311 HA VAL 3 HA VAL 3 193.169 -7.151 1.820 312 HB VAL 3 HB VAL 3 192.513 -7.095 4.198 313 HG11 VAL 3 HG11 VAL 3 194.875 -5.346 3.519 314 HG12 VAL 3 HG12 VAL 3 194.872 -7.108 3.599 315 HG13 VAL 3 HG13 VAL 3 194.606 -6.159 5.061 316 HG21 VAL 3 HG21 VAL 3 192.606 -4.104 3.822 317 HG22 VAL 3 HG22 VAL 3 192.534 -4.918 5.384 318 HG23 VAL 3 HG23 VAL 3 191.197 -5.077 4.247 319 HA PRO 4 HA PRO 4 188.913 -7.316 0.471 320 HB2 PRO 4 HB2 PRO 4 189.013 -10.011 1.713 321 HB3 PRO 4 HB1 PRO 4 188.570 -9.546 0.064 322 HG2 PRO 4 HG2 PRO 4 190.899 -10.728 0.554 323 HG3 PRO 4 HG1 PRO 4 190.757 -9.437 -0.656 324 HD2 PRO 4 HD2 PRO 4 191.882 -9.319 2.103 325 HD3 PRO 4 HD1 PRO 4 192.426 -8.505 0.621 326 H VAL 5 HN VAL 5 186.924 -7.048 1.401 327 HA VAL 5 HA VAL 5 186.880 -6.748 4.294 328 HB VAL 5 HB VAL 5 184.721 -6.108 2.277 329 HG11 VAL 5 HG11 VAL 5 183.869 -6.437 4.546 330 HG12 VAL 5 HG12 VAL 5 183.756 -4.746 4.056 331 HG13 VAL 5 HG13 VAL 5 185.034 -5.262 5.155 332 HG21 VAL 5 HG21 VAL 5 185.450 -3.777 2.530 333 HG22 VAL 5 HG22 VAL 5 186.722 -4.794 1.853 334 HG23 VAL 5 HG23 VAL 5 186.786 -4.313 3.549 335 H THR 6 HN THR 6 186.201 -8.315 5.588 336 HA THR 6 HA THR 6 184.838 -10.629 4.540 337 HB THR 6 HB THR 6 184.956 -11.496 6.844 338 HG1 THR 6 HG1 THR 6 186.240 -9.030 7.476 339 HG21 THR 6 HG21 THR 6 186.877 -11.808 5.368 340 HG22 THR 6 HG22 THR 6 187.403 -11.582 7.035 341 HG23 THR 6 HG23 THR 6 187.537 -10.255 5.881 342 H LYS 7 HN LYS 7 184.038 -7.824 6.486 343 HA LYS 7 HA LYS 7 181.203 -8.443 6.155 344 HB2 LYS 7 HB2 LYS 7 181.950 -9.299 8.398 345 HB3 LYS 7 HB1 LYS 7 182.354 -7.644 8.832 346 HG2 LYS 7 HG2 LYS 7 180.203 -8.235 9.740 347 HG3 LYS 7 HG1 LYS 7 180.006 -7.003 8.492 348 HD2 LYS 7 HD2 LYS 7 179.356 -8.718 6.884 349 HD3 LYS 7 HD1 LYS 7 179.586 -9.967 8.109 350 HE2 LYS 7 HE2 LYS 7 177.829 -8.935 9.476 351 HE3 LYS 7 HE1 LYS 7 177.590 -7.709 8.231 352 HZ1 LYS 7 HZ1 LYS 7 177.182 -10.629 7.874 353 HZ2 LYS 7 HZ2 LYS 7 176.938 -9.447 6.689 354 HZ3 LYS 7 HZ3 LYS 7 175.955 -9.480 8.064 355 H LEU 8 HN LEU 8 179.890 -6.635 5.999 356 HA LEU 8 HA LEU 8 181.124 -4.011 6.403 357 HB2 LEU 8 HB2 LEU 8 181.326 -4.873 3.984 358 HB3 LEU 8 HB1 LEU 8 179.597 -4.605 3.885 359 HG LEU 8 HG LEU 8 180.806 -2.730 2.929 360 HD11 LEU 8 HD11 LEU 8 179.721 -0.950 4.080 361 HD12 LEU 8 HD12 LEU 8 179.631 -1.889 5.569 362 HD13 LEU 8 HD13 LEU 8 178.671 -2.363 4.169 363 HD21 LEU 8 HD21 LEU 8 182.047 -2.416 5.659 364 HD22 LEU 8 HD22 LEU 8 182.245 -1.315 4.296 365 HD23 LEU 8 HD23 LEU 8 182.879 -2.958 4.202 366 H VAL 9 HN VAL 9 179.816 -3.057 7.817 367 HA VAL 9 HA VAL 9 176.905 -3.373 7.480 368 HB VAL 9 HB VAL 9 176.697 -2.761 9.864 369 HG11 VAL 9 HG11 VAL 9 177.540 -4.873 10.785 370 HG12 VAL 9 HG12 VAL 9 178.503 -5.116 9.327 371 HG13 VAL 9 HG13 VAL 9 176.742 -5.106 9.229 372 HG21 VAL 9 HG21 VAL 9 178.730 -1.454 10.111 373 HG22 VAL 9 HG22 VAL 9 179.711 -2.896 9.851 374 HG23 VAL 9 HG23 VAL 9 178.699 -2.766 11.290 375 H CYS 10 HN CYS 10 175.619 -1.465 8.256 376 HA CYS 10 HA CYS 10 176.983 1.098 7.988 377 HB2 CYS 10 HB2 CYS 10 176.310 0.521 5.699 378 HB3 CYS 10 HB1 CYS 10 174.649 0.296 6.238 379 HG CYS 10 HG CYS 10 176.262 3.098 5.435 380 H ASP 11 HN ASP 11 175.788 2.879 8.807 381 HA ASP 11 HA ASP 11 173.386 2.158 10.345 382 HB2 ASP 11 HB2 ASP 11 175.325 2.252 11.859 383 HB3 ASP 11 HB1 ASP 11 175.670 3.891 11.317 384 H GLY 12 HN GLY 12 171.712 3.367 9.773 385 HA2 GLY 12 HA2 GLY 12 172.116 5.784 8.229 386 HA3 GLY 12 HA1 GLY 12 170.576 5.019 8.589 387 H ASP 13 HN ASP 13 171.235 4.943 11.494 388 HA ASP 13 HA ASP 13 169.960 7.308 12.270 389 HB2 ASP 13 HB2 ASP 13 171.702 5.470 13.926 390 HB3 ASP 13 HB1 ASP 13 170.597 6.680 14.572 391 H THR 14 HN THR 14 173.351 6.529 11.903 392 HA THR 14 HA THR 14 174.020 9.295 12.673 393 HB THR 14 HB THR 14 176.280 8.481 13.259 394 HG1 THR 14 HG1 THR 14 176.466 6.599 12.092 395 HG21 THR 14 HG21 THR 14 174.589 8.709 15.010 396 HG22 THR 14 HG22 THR 14 175.658 7.346 15.343 397 HG23 THR 14 HG23 THR 14 174.039 7.061 14.704 398 H TYR 15 HN TYR 15 173.748 7.243 10.083 399 HA TYR 15 HA TYR 15 174.424 7.340 7.916 400 HB2 TYR 15 HB2 TYR 15 175.538 10.051 8.664 401 HB3 TYR 15 HB1 TYR 15 175.205 9.473 7.035 402 HD1 TYR 15 HD1 TYR 15 173.820 10.978 10.016 403 HD2 TYR 15 HD2 TYR 15 172.836 9.100 6.328 404 HE1 TYR 15 HE1 TYR 15 171.538 11.880 10.172 405 HE2 TYR 15 HE2 TYR 15 170.552 9.999 6.473 406 HH TYR 15 HH TYR 15 168.998 10.811 8.189 407 H LYS 16 HN LYS 16 176.244 6.399 10.125 408 HA LYS 16 HA LYS 16 178.835 6.769 8.783 409 HB2 LYS 16 HB2 LYS 16 178.214 5.806 11.581 410 HB3 LYS 16 HB1 LYS 16 179.828 5.922 10.894 411 HG2 LYS 16 HG2 LYS 16 179.528 8.346 10.637 412 HG3 LYS 16 HG1 LYS 16 177.932 8.211 11.380 413 HD2 LYS 16 HD2 LYS 16 178.939 7.377 13.432 414 HD3 LYS 16 HD1 LYS 16 180.539 7.439 12.691 415 HE2 LYS 16 HE2 LYS 16 180.184 9.370 14.125 416 HE3 LYS 16 HE1 LYS 16 180.323 9.865 12.438 417 HZ1 LYS 16 HZ1 LYS 16 178.522 11.026 13.525 418 HZ2 LYS 16 HZ2 LYS 16 177.792 9.566 13.962 419 HZ3 LYS 16 HZ3 LYS 16 177.902 10.000 12.332 420 H CYS 17 HN CYS 17 179.583 5.161 7.584 421 HA CYS 17 HA CYS 17 178.380 2.504 7.870 422 HB2 CYS 17 HB2 CYS 17 178.301 3.512 5.635 423 HB3 CYS 17 HB1 CYS 17 180.055 3.663 5.632 424 HG CYS 17 HG CYS 17 178.926 0.544 6.139 425 H THR 18 HN THR 18 179.450 1.042 9.009 426 HA THR 18 HA THR 18 182.327 1.346 9.420 427 HB THR 18 HB THR 18 180.395 -0.563 10.753 428 HG1 THR 18 HG1 THR 18 180.779 0.961 12.548 429 HG21 THR 18 HG21 THR 18 183.259 0.151 11.392 430 HG22 THR 18 HG22 THR 18 182.668 -1.408 10.818 431 HG23 THR 18 HG23 THR 18 182.207 -0.824 12.417 432 H ALA 19 HN ALA 19 183.768 -0.456 9.186 433 HA ALA 19 HA ALA 19 182.819 -2.663 7.515 434 HB1 ALA 19 HB1 ALA 19 184.633 -2.383 5.918 435 HB2 ALA 19 HB2 ALA 19 185.182 -0.942 6.773 436 HB3 ALA 19 HB3 ALA 19 183.615 -0.943 5.963 437 H TYR 20 HN TYR 20 184.127 -4.524 7.575 438 HA TYR 20 HA TYR 20 186.062 -4.553 9.796 439 HB2 TYR 20 HB2 TYR 20 184.326 -6.798 8.747 440 HB3 TYR 20 HB1 TYR 20 185.501 -6.949 10.048 441 HD1 TYR 20 HD1 TYR 20 185.016 -6.144 12.258 442 HD2 TYR 20 HD2 TYR 20 182.255 -5.508 9.083 443 HE1 TYR 20 HE1 TYR 20 183.297 -5.489 13.890 444 HE2 TYR 20 HE2 TYR 20 180.530 -4.852 10.707 445 HH TYR 20 HH TYR 20 181.227 -4.167 13.957 446 H LEU 21 HN LEU 21 188.084 -4.610 9.087 447 HA LEU 21 HA LEU 21 188.705 -5.759 6.488 448 HB2 LEU 21 HB2 LEU 21 190.504 -4.385 8.486 449 HB3 LEU 21 HB1 LEU 21 190.944 -4.834 6.850 450 HG LEU 21 HG LEU 21 188.885 -2.772 7.636 451 HD11 LEU 21 HD11 LEU 21 191.183 -2.039 7.983 452 HD12 LEU 21 HD12 LEU 21 190.447 -1.189 6.623 453 HD13 LEU 21 HD13 LEU 21 191.589 -2.500 6.331 454 HD21 LEU 21 HD21 LEU 21 188.223 -3.955 5.608 455 HD22 LEU 21 HD22 LEU 21 189.810 -3.648 4.902 456 HD23 LEU 21 HD23 LEU 21 188.721 -2.303 5.244 457 H ASP 22 HN ASP 22 190.371 -7.329 6.184 458 HA ASP 22 HA ASP 22 190.466 -9.276 8.364 459 HB2 ASP 22 HB2 ASP 22 189.719 -10.025 6.124 460 HB3 ASP 22 HB1 ASP 22 191.288 -9.575 5.466 461 H TYR 23 HN TYR 23 192.159 -6.739 8.016 462 HA TYR 23 HA TYR 23 194.837 -7.689 7.629 463 HB2 TYR 23 HB2 TYR 23 194.231 -5.382 7.080 464 HB3 TYR 23 HB1 TYR 23 193.809 -5.078 8.762 465 HD1 TYR 23 HD1 TYR 23 196.568 -5.584 6.398 466 HD2 TYR 23 HD2 TYR 23 195.521 -4.727 10.430 467 HE1 TYR 23 HE1 TYR 23 198.882 -4.880 6.842 468 HE2 TYR 23 HE2 TYR 23 197.830 -4.021 10.887 469 HH TYR 23 HH TYR 23 200.098 -3.449 8.431 470 H GLY 24 HN GLY 24 195.828 -8.937 9.069 471 HA2 GLY 24 HA2 GLY 24 196.851 -9.422 11.104 472 HA3 GLY 24 HA1 GLY 24 195.939 -8.116 11.846 473 H ASP 25 HN ASP 25 194.518 -8.752 13.310 474 HA ASP 25 HA ASP 25 193.639 -11.528 13.346 475 HB2 ASP 25 HB2 ASP 25 193.215 -9.297 15.346 476 HB3 ASP 25 HB1 ASP 25 192.740 -10.976 15.581 477 H GLY 26 HN GLY 26 192.380 -8.327 12.762 478 HA2 GLY 26 HA2 GLY 26 190.441 -8.188 11.278 479 HA3 GLY 26 HA1 GLY 26 189.758 -9.548 12.157 480 H LYS 27 HN LYS 27 191.387 -6.939 13.802 481 HA LYS 27 HA LYS 27 188.867 -6.259 15.118 482 HB2 LYS 27 HB2 LYS 27 191.713 -5.497 15.800 483 HB3 LYS 27 HB1 LYS 27 190.296 -5.079 16.753 484 HG2 LYS 27 HG2 LYS 27 191.283 -7.869 16.198 485 HG3 LYS 27 HG1 LYS 27 191.484 -6.975 17.707 486 HD2 LYS 27 HD2 LYS 27 189.053 -6.884 17.975 487 HD3 LYS 27 HD1 LYS 27 188.852 -7.773 16.464 488 HE2 LYS 27 HE2 LYS 27 188.628 -9.253 18.390 489 HE3 LYS 27 HE1 LYS 27 190.038 -9.679 17.421 490 HZ1 LYS 27 HZ1 LYS 27 190.541 -9.716 19.781 491 HZ2 LYS 27 HZ2 LYS 27 190.084 -8.094 19.932 492 HZ3 LYS 27 HZ3 LYS 27 191.436 -8.507 19.005 493 H TRP 28 HN TRP 28 191.325 -4.898 13.044 494 HA TRP 28 HA TRP 28 190.683 -2.180 13.301 495 HB2 TRP 28 HB2 TRP 28 191.758 -3.649 10.884 496 HB3 TRP 28 HB1 TRP 28 191.792 -1.904 11.119 497 HD1 TRP 28 HD1 TRP 28 193.512 -5.113 12.252 498 HE1 TRP 28 HE1 TRP 28 195.670 -4.497 13.513 499 HE3 TRP 28 HE3 TRP 28 192.859 -0.051 12.556 500 HZ2 TRP 28 HZ2 TRP 28 196.928 -2.173 14.505 501 HZ3 TRP 28 HZ3 TRP 28 194.587 1.296 13.678 502 HH2 TRP 28 HH2 TRP 28 196.579 0.255 14.632 503 H VAL 29 HN VAL 29 189.267 -0.843 12.238 504 HA VAL 29 HA VAL 29 187.487 -1.956 10.219 505 HB VAL 29 HB VAL 29 185.458 -1.180 11.384 506 HG11 VAL 29 HG11 VAL 29 185.340 -2.992 13.031 507 HG12 VAL 29 HG12 VAL 29 187.092 -3.177 12.948 508 HG13 VAL 29 HG13 VAL 29 186.101 -3.523 11.531 509 HG21 VAL 29 HG21 VAL 29 185.555 -0.653 13.779 510 HG22 VAL 29 HG22 VAL 29 186.463 0.513 12.816 511 HG23 VAL 29 HG23 VAL 29 187.316 -0.737 13.721 512 H ALA 30 HN ALA 30 186.566 -0.427 8.875 513 HA ALA 30 HA ALA 30 187.694 2.268 9.121 514 HB1 ALA 30 HB1 ALA 30 188.171 1.110 7.040 515 HB2 ALA 30 HB2 ALA 30 187.137 2.507 6.739 516 HB3 ALA 30 HB3 ALA 30 186.447 0.884 6.749 517 H GLN 31 HN GLN 31 186.325 4.111 8.490 518 HA GLN 31 HA GLN 31 183.459 3.748 8.657 519 HB2 GLN 31 HB2 GLN 31 184.960 5.298 10.772 520 HB3 GLN 31 HB1 GLN 31 183.215 5.323 10.563 521 HG2 GLN 31 HG2 GLN 31 183.162 2.897 10.998 522 HG3 GLN 31 HG1 GLN 31 184.899 2.939 11.294 523 HE21 GLN 31 HE21 GLN 31 182.716 2.186 13.077 524 HE22 GLN 31 HE22 GLN 31 182.843 3.221 14.453 525 H TRP 32 HN TRP 32 182.420 5.231 7.477 526 HA TRP 32 HA TRP 32 183.540 7.871 7.068 527 HB2 TRP 32 HB2 TRP 32 183.481 7.703 4.605 528 HB3 TRP 32 HB1 TRP 32 184.662 6.608 5.314 529 HD1 TRP 32 HD1 TRP 32 181.652 6.667 3.085 530 HE1 TRP 32 HE1 TRP 32 181.073 4.272 2.340 531 HE3 TRP 32 HE3 TRP 32 184.700 4.066 6.262 532 HZ2 TRP 32 HZ2 TRP 32 181.808 1.632 3.011 533 HZ3 TRP 32 HZ3 TRP 32 184.701 1.609 6.145 534 HH2 TRP 32 HH2 TRP 32 183.285 0.419 4.553 535 H ASP 33 HN ASP 33 181.970 9.344 6.953 536 HA ASP 33 HA ASP 33 179.293 8.723 7.378 537 HB2 ASP 33 HB2 ASP 33 180.469 11.249 6.200 538 HB3 ASP 33 HB1 ASP 33 178.839 11.095 6.847 539 H THR 34 HN THR 34 177.464 8.724 6.081 540 HA THR 34 HA THR 34 177.704 9.050 3.214 541 HB THR 34 HB THR 34 176.851 6.827 2.651 542 HG1 THR 34 HG1 THR 34 175.901 5.841 4.275 543 HG21 THR 34 HG21 THR 34 179.337 6.645 4.356 544 HG22 THR 34 HG22 THR 34 179.290 7.216 2.688 545 HG23 THR 34 HG23 THR 34 178.870 5.545 3.060 546 H ALA 35 HN ALA 35 175.898 9.964 2.479 547 HA ALA 35 HA ALA 35 173.707 10.548 4.129 548 HB1 ALA 35 HB1 ALA 35 173.835 10.597 1.115 549 HB2 ALA 35 HB2 ALA 35 174.325 11.907 2.189 550 HB3 ALA 35 HB3 ALA 35 172.634 11.410 2.117 551 H VAL 36 HN VAL 36 171.623 9.733 4.232 552 HA VAL 36 HA VAL 36 171.077 7.237 2.790 553 HB VAL 36 HB VAL 36 170.587 7.583 5.751 554 HG11 VAL 36 HG11 VAL 36 170.006 5.199 5.685 555 HG12 VAL 36 HG12 VAL 36 170.219 5.203 3.934 556 HG13 VAL 36 HG13 VAL 36 168.936 6.164 4.669 557 HG21 VAL 36 HG21 VAL 36 172.340 5.893 6.054 558 HG22 VAL 36 HG22 VAL 36 172.967 7.359 5.299 559 HG23 VAL 36 HG23 VAL 36 172.661 5.924 4.320 560 H PHE 37 HN PHE 37 168.888 6.785 2.440 561 HA PHE 37 HA PHE 37 166.776 8.343 3.518 562 HB2 PHE 37 HB2 PHE 37 166.122 9.536 1.459 563 HB3 PHE 37 HB1 PHE 37 167.686 10.077 2.062 564 HD1 PHE 37 HD1 PHE 37 169.765 9.322 0.927 565 HD2 PHE 37 HD2 PHE 37 165.898 8.561 -0.678 566 HE1 PHE 37 HE1 PHE 37 170.773 8.869 -1.269 567 HE2 PHE 37 HE2 PHE 37 166.899 8.106 -2.880 568 HZ PHE 37 HZ PHE 37 169.339 8.260 -3.178 569 H HIS 38 HN HIS 38 164.686 7.935 2.258 570 HA HIS 38 HA HIS 38 164.614 5.101 1.613 571 HB2 HIS 38 HB2 HIS 38 162.955 6.036 3.178 572 HB3 HIS 38 HB1 HIS 38 162.355 7.093 1.904 573 HD1 HIS 38 HD1 HIS 38 160.818 6.062 0.135 574 HD2 HIS 38 HD2 HIS 38 162.229 3.319 2.921 575 HE1 HIS 38 HE1 HIS 38 159.451 3.981 -0.218 576 HE2 HIS 38 HE2 HIS 38 160.322 2.333 1.478 577 H THR 39 HN THR 39 163.879 4.237 -0.316 578 HA THR 39 HA THR 39 163.598 6.138 -2.552 579 HB THR 39 HB THR 39 164.689 4.486 -4.019 580 HG1 THR 39 HG1 THR 39 164.225 2.620 -2.711 581 HG21 THR 39 HG21 THR 39 166.982 4.766 -3.176 582 HG22 THR 39 HG22 THR 39 166.337 5.256 -1.608 583 HG23 THR 39 HG23 THR 39 166.047 6.255 -3.033 584 H THR 40 HN THR 40 161.931 5.825 -3.925 585 HA THR 40 HA THR 40 160.034 3.710 -3.249 586 HB THR 40 HB THR 40 158.441 4.944 -4.666 587 HG1 THR 40 HG1 THR 40 160.542 6.849 -4.970 588 HG21 THR 40 HG21 THR 40 158.242 6.949 -3.267 589 HG22 THR 40 HG22 THR 40 159.881 6.692 -2.668 590 HG23 THR 40 HG23 THR 40 158.613 5.524 -2.297 591 H1 ALA 1 HT1 ALA 1 175.866 4.310 -14.717 592 H2 ALA 1 HT2 ALA 1 174.951 4.180 -16.133 593 H3 ALA 1 HT3 ALA 1 176.124 3.015 -15.776 594 HA ALA 1 HA ALA 1 173.659 3.521 -14.213 595 HB1 ALA 1 HB1 ALA 1 173.213 2.487 -16.386 596 HB2 ALA 1 HB2 ALA 1 172.893 1.371 -15.059 597 HB3 ALA 1 HB3 ALA 1 174.366 1.207 -16.014 598 HA PRO 2 HA PRO 2 175.510 1.586 -10.722 599 HB2 PRO 2 HB2 PRO 2 173.091 -0.147 -10.614 600 HB3 PRO 2 HB1 PRO 2 173.790 0.893 -9.364 601 HG2 PRO 2 HG2 PRO 2 171.581 1.626 -10.638 602 HG3 PRO 2 HG1 PRO 2 172.829 2.812 -10.207 603 HD2 PRO 2 HD2 PRO 2 172.205 1.613 -12.861 604 HD3 PRO 2 HD1 PRO 2 172.750 3.254 -12.459 605 H VAL 3 HN VAL 3 176.831 -0.119 -10.344 606 HA VAL 3 HA VAL 3 176.398 -2.604 -11.834 607 HB VAL 3 HB VAL 3 178.791 -2.732 -12.421 608 HG11 VAL 3 HG11 VAL 3 177.383 -0.280 -13.470 609 HG12 VAL 3 HG12 VAL 3 177.188 -1.928 -14.066 610 HG13 VAL 3 HG13 VAL 3 178.736 -1.102 -14.250 611 HG21 VAL 3 HG21 VAL 3 178.871 0.092 -11.366 612 HG22 VAL 3 HG22 VAL 3 180.151 -0.662 -12.317 613 HG23 VAL 3 HG23 VAL 3 179.739 -1.304 -10.726 614 HA PRO 4 HA PRO 4 177.132 -4.282 -7.758 615 HB2 PRO 4 HB2 PRO 4 177.768 -6.743 -9.292 616 HB3 PRO 4 HB1 PRO 4 176.594 -6.499 -7.991 617 HG2 PRO 4 HG2 PRO 4 175.784 -6.778 -10.506 618 HG3 PRO 4 HG1 PRO 4 174.981 -5.645 -9.399 619 HD2 PRO 4 HD2 PRO 4 176.906 -5.079 -11.606 620 HD3 PRO 4 HD1 PRO 4 175.481 -4.159 -11.081 621 H VAL 5 HN VAL 5 178.894 -4.712 -6.492 622 HA VAL 5 HA VAL 5 181.496 -4.384 -7.750 623 HB VAL 5 HB VAL 5 180.808 -4.585 -4.813 624 HG11 VAL 5 HG11 VAL 5 183.137 -5.143 -5.310 625 HG12 VAL 5 HG12 VAL 5 183.016 -3.611 -4.445 626 HG13 VAL 5 HG13 VAL 5 183.319 -3.621 -6.182 627 HG21 VAL 5 HG21 VAL 5 181.052 -2.142 -4.790 628 HG22 VAL 5 HG22 VAL 5 179.724 -2.662 -5.829 629 HG23 VAL 5 HG23 VAL 5 181.254 -2.154 -6.543 630 H THR 6 HN THR 6 182.704 -6.061 -8.314 631 HA THR 6 HA THR 6 182.060 -8.727 -7.431 632 HB THR 6 HB THR 6 183.894 -9.448 -8.910 633 HG1 THR 6 HG1 THR 6 184.235 -6.676 -9.479 634 HG21 THR 6 HG21 THR 6 181.677 -9.097 -9.871 635 HG22 THR 6 HG22 THR 6 182.934 -8.665 -11.030 636 HG23 THR 6 HG23 THR 6 182.061 -7.401 -10.164 637 H LYS 7 HN LYS 7 184.554 -6.340 -6.820 638 HA LYS 7 HA LYS 7 185.464 -7.923 -4.539 639 HB2 LYS 7 HB2 LYS 7 186.959 -8.414 -6.500 640 HB3 LYS 7 HB1 LYS 7 187.407 -6.713 -6.512 641 HG2 LYS 7 HG2 LYS 7 189.095 -8.002 -5.376 642 HG3 LYS 7 HG1 LYS 7 188.275 -6.944 -4.226 643 HD2 LYS 7 HD2 LYS 7 186.904 -8.813 -3.466 644 HD3 LYS 7 HD1 LYS 7 187.684 -9.875 -4.641 645 HE2 LYS 7 HE2 LYS 7 189.840 -9.497 -3.530 646 HE3 LYS 7 HE1 LYS 7 189.042 -8.460 -2.348 647 HZ1 LYS 7 HZ1 LYS 7 188.474 -11.344 -2.772 648 HZ2 LYS 7 HZ2 LYS 7 187.724 -10.349 -1.628 649 HZ3 LYS 7 HZ3 LYS 7 189.375 -10.695 -1.494 650 H LEU 8 HN LEU 8 186.197 -6.695 -2.817 651 HA LEU 8 HA LEU 8 186.384 -3.796 -3.185 652 HB2 LEU 8 HB2 LEU 8 184.040 -4.586 -2.463 653 HB3 LEU 8 HB1 LEU 8 184.782 -4.945 -0.917 654 HG LEU 8 HG LEU 8 183.677 -2.785 -0.851 655 HD11 LEU 8 HD11 LEU 8 185.449 -1.474 0.050 656 HD12 LEU 8 HD12 LEU 8 186.654 -2.352 -0.889 657 HD13 LEU 8 HD13 LEU 8 185.792 -3.164 0.417 658 HD21 LEU 8 HD21 LEU 8 185.552 -1.997 -3.076 659 HD22 LEU 8 HD22 LEU 8 184.433 -0.924 -2.234 660 HD23 LEU 8 HD23 LEU 8 183.813 -2.243 -3.229 661 H VAL 9 HN VAL 9 188.365 -3.333 -2.491 662 HA VAL 9 HA VAL 9 189.350 -4.657 -0.049 663 HB VAL 9 HB VAL 9 191.628 -4.107 -0.828 664 HG11 VAL 9 HG11 VAL 9 191.733 -5.767 -2.631 665 HG12 VAL 9 HG12 VAL 9 189.979 -5.688 -2.797 666 HG13 VAL 9 HG13 VAL 9 190.697 -6.300 -1.306 667 HG21 VAL 9 HG21 VAL 9 191.116 -2.165 -2.195 668 HG22 VAL 9 HG22 VAL 9 190.222 -3.175 -3.331 669 HG23 VAL 9 HG23 VAL 9 191.966 -3.377 -3.152 670 H CYS 10 HN CYS 10 190.904 -3.307 1.236 671 HA CYS 10 HA CYS 10 190.435 -0.433 1.064 672 HB2 CYS 10 HB2 CYS 10 188.646 -1.261 2.530 673 HB3 CYS 10 HB1 CYS 10 189.843 -2.043 3.557 674 HG CYS 10 HG CYS 10 188.826 1.130 3.513 675 H ASP 11 HN ASP 11 191.966 0.830 2.214 676 HA ASP 11 HA ASP 11 194.302 -0.654 3.212 677 HB2 ASP 11 HB2 ASP 11 194.761 0.147 0.929 678 HB3 ASP 11 HB1 ASP 11 194.374 1.791 1.428 679 H GLY 12 HN GLY 12 194.746 -0.123 5.239 680 HA2 GLY 12 HA2 GLY 12 193.572 2.248 6.419 681 HA3 GLY 12 HA1 GLY 12 194.475 0.998 7.261 682 H ASP 13 HN ASP 13 196.711 1.222 5.305 683 HA ASP 13 HA ASP 13 198.329 3.003 6.727 684 HB2 ASP 13 HB2 ASP 13 198.711 1.931 3.923 685 HB3 ASP 13 HB1 ASP 13 199.964 2.689 4.901 686 H THR 14 HN THR 14 196.343 3.458 3.883 687 HA THR 14 HA THR 14 197.130 6.299 3.844 688 HB THR 14 HB THR 14 196.493 6.343 1.457 689 HG1 THR 14 HG1 THR 14 195.100 4.621 1.268 690 HG21 THR 14 HG21 THR 14 198.834 5.999 2.071 691 HG22 THR 14 HG22 THR 14 198.433 5.107 0.604 692 HG23 THR 14 HG23 THR 14 198.567 4.258 2.144 693 H TYR 15 HN TYR 15 194.675 4.227 4.658 694 HA TYR 15 HA TYR 15 192.481 4.508 5.175 695 HB2 TYR 15 HB2 TYR 15 193.038 7.453 4.767 696 HB3 TYR 15 HB1 TYR 15 191.673 6.760 5.637 697 HD1 TYR 15 HD1 TYR 15 195.146 7.747 5.818 698 HD2 TYR 15 HD2 TYR 15 192.076 5.563 7.795 699 HE1 TYR 15 HE1 TYR 15 196.459 7.794 7.896 700 HE2 TYR 15 HE2 TYR 15 193.381 5.606 9.880 701 HH TYR 15 HH TYR 15 195.718 5.856 10.584 702 H LYS 16 HN LYS 16 193.445 4.314 2.328 703 HA LYS 16 HA LYS 16 191.143 5.542 0.971 704 HB2 LYS 16 HB2 LYS 16 193.734 4.482 -0.170 705 HB3 LYS 16 HB1 LYS 16 192.413 5.143 -1.123 706 HG2 LYS 16 HG2 LYS 16 192.691 7.301 0.017 707 HG3 LYS 16 HG1 LYS 16 194.049 6.630 0.921 708 HD2 LYS 16 HD2 LYS 16 195.265 6.247 -1.152 709 HD3 LYS 16 HD1 LYS 16 193.894 6.851 -2.085 710 HE2 LYS 16 HE2 LYS 16 195.605 8.565 -1.869 711 HE3 LYS 16 HE1 LYS 16 194.137 9.041 -1.016 712 HZ1 LYS 16 HZ1 LYS 16 196.088 9.519 0.304 713 HZ2 LYS 16 HZ2 LYS 16 196.583 7.904 0.228 714 HZ3 LYS 16 HZ3 LYS 16 195.168 8.315 1.058 715 H CYS 17 HN CYS 17 189.506 4.273 0.424 716 HA CYS 17 HA CYS 17 189.906 1.370 0.425 717 HB2 CYS 17 HB2 CYS 17 188.134 2.237 1.883 718 HB3 CYS 17 HB1 CYS 17 187.354 2.994 0.498 719 HG CYS 17 HG CYS 17 187.844 -0.311 0.187 720 H THR 18 HN THR 18 190.197 0.401 -1.461 721 HA THR 18 HA THR 18 189.290 1.706 -3.915 722 HB THR 18 HB THR 18 191.052 -0.731 -3.580 723 HG1 THR 18 HG1 THR 18 192.681 0.869 -4.272 724 HG21 THR 18 HG21 THR 18 190.415 0.957 -6.002 725 HG22 THR 18 HG22 THR 18 189.946 -0.723 -5.739 726 HG23 THR 18 HG23 THR 18 191.646 -0.304 -5.944 727 H ALA 19 HN ALA 19 188.155 0.521 -5.552 728 HA ALA 19 HA ALA 19 186.791 -1.915 -4.677 729 HB1 ALA 19 HB1 ALA 19 184.605 -1.051 -5.304 730 HB2 ALA 19 HB2 ALA 19 185.322 0.510 -5.704 731 HB3 ALA 19 HB3 ALA 19 185.325 -0.060 -4.035 732 H TYR 20 HN TYR 20 185.965 -3.198 -6.366 733 HA TYR 20 HA TYR 20 187.027 -2.496 -9.024 734 HB2 TYR 20 HB2 TYR 20 186.559 -5.231 -7.816 735 HB3 TYR 20 HB1 TYR 20 187.142 -4.931 -9.449 736 HD1 TYR 20 HD1 TYR 20 189.424 -4.300 -9.855 737 HD2 TYR 20 HD2 TYR 20 187.992 -4.743 -5.873 738 HE1 TYR 20 HE1 TYR 20 191.738 -4.255 -9.025 739 HE2 TYR 20 HE2 TYR 20 190.303 -4.699 -5.032 740 HH TYR 20 HH TYR 20 192.939 -3.743 -6.945 741 H LEU 21 HN LEU 21 185.474 -1.855 -10.356 742 HA LEU 21 HA LEU 21 182.738 -2.768 -9.982 743 HB2 LEU 21 HB2 LEU 21 183.878 -0.807 -11.974 744 HB3 LEU 21 HB1 LEU 21 182.174 -1.109 -11.692 745 HG LEU 21 HG LEU 21 184.113 0.116 -9.729 746 HD11 LEU 21 HD11 LEU 21 183.480 1.616 -11.542 747 HD12 LEU 21 HD12 LEU 21 182.753 2.124 -10.017 748 HD13 LEU 21 HD13 LEU 21 181.776 1.292 -11.227 749 HD21 LEU 21 HD21 LEU 21 182.458 -1.269 -8.592 750 HD22 LEU 21 HD22 LEU 21 181.162 -0.439 -9.452 751 HD23 LEU 21 HD23 LEU 21 182.161 0.444 -8.298 752 H ASP 22 HN ASP 22 181.475 -3.659 -11.697 753 HA ASP 22 HA ASP 22 183.050 -5.402 -13.439 754 HB2 ASP 22 HB2 ASP 22 181.313 -6.415 -11.991 755 HB3 ASP 22 HB1 ASP 22 180.088 -5.455 -12.816 756 H TYR 23 HN TYR 23 182.355 -2.440 -13.850 757 HA TYR 23 HA TYR 23 180.651 -2.396 -16.156 758 HB2 TYR 23 HB2 TYR 23 180.795 -0.462 -14.664 759 HB3 TYR 23 HB1 TYR 23 182.508 -0.289 -15.029 760 HD1 TYR 23 HD1 TYR 23 179.099 0.155 -16.312 761 HD2 TYR 23 HD2 TYR 23 183.243 0.677 -17.118 762 HE1 TYR 23 HE1 TYR 23 178.539 1.636 -18.193 763 HE2 TYR 23 HE2 TYR 23 182.696 2.158 -19.002 764 HH TYR 23 HH TYR 23 179.595 3.437 -19.495 765 H GLY 24 HN GLY 24 181.273 -3.187 -18.054 766 HA2 GLY 24 HA2 GLY 24 182.520 -3.236 -20.021 767 HA3 GLY 24 HA1 GLY 24 183.782 -2.319 -19.215 768 H ASP 25 HN ASP 25 185.619 -3.382 -18.960 769 HA ASP 25 HA ASP 25 185.632 -6.287 -19.141 770 HB2 ASP 25 HB2 ASP 25 187.917 -4.305 -19.045 771 HB3 ASP 25 HB1 ASP 25 188.086 -6.039 -19.303 772 H GLY 26 HN GLY 26 186.178 -3.746 -16.812 773 HA2 GLY 26 HA2 GLY 26 185.780 -4.329 -14.471 774 HA3 GLY 26 HA1 GLY 26 186.658 -5.822 -14.767 775 H LYS 27 HN LYS 27 187.752 -2.774 -16.059 776 HA LYS 27 HA LYS 27 190.157 -2.993 -14.414 777 HB2 LYS 27 HB2 LYS 27 189.573 -1.266 -16.826 778 HB3 LYS 27 HB1 LYS 27 191.118 -1.351 -15.991 779 HG2 LYS 27 HG2 LYS 27 189.760 -3.627 -17.419 780 HG3 LYS 27 HG1 LYS 27 191.126 -2.688 -18.023 781 HD2 LYS 27 HD2 LYS 27 192.484 -3.451 -16.136 782 HD3 LYS 27 HD1 LYS 27 191.117 -4.386 -15.528 783 HE2 LYS 27 HE2 LYS 27 192.685 -5.809 -16.740 784 HE3 LYS 27 HE1 LYS 27 191.128 -5.735 -17.563 785 HZ1 LYS 27 HZ1 LYS 27 192.963 -5.540 -19.120 786 HZ2 LYS 27 HZ2 LYS 27 193.549 -4.179 -18.302 787 HZ3 LYS 27 HZ3 LYS 27 192.055 -4.112 -19.094 788 H TRP 28 HN TRP 28 187.423 -0.901 -14.995 789 HA TRP 28 HA TRP 28 188.352 1.423 -13.730 790 HB2 TRP 28 HB2 TRP 28 185.519 0.375 -13.917 791 HB3 TRP 28 HB1 TRP 28 185.973 2.025 -13.502 792 HD1 TRP 28 HD1 TRP 28 185.699 -0.351 -16.472 793 HE1 TRP 28 HE1 TRP 28 185.914 1.010 -18.646 794 HE3 TRP 28 HE3 TRP 28 187.027 4.165 -14.476 795 HZ2 TRP 28 HZ2 TRP 28 186.561 3.649 -19.413 796 HZ3 TRP 28 HZ3 TRP 28 187.426 6.055 -15.998 797 HH2 TRP 28 HH2 TRP 28 187.198 5.801 -18.416 798 H VAL 29 HN VAL 29 188.267 2.155 -11.637 799 HA VAL 29 HA VAL 29 187.139 0.444 -9.567 800 HB VAL 29 HB VAL 29 189.204 0.483 -8.220 801 HG11 VAL 29 HG11 VAL 29 190.428 -1.220 -9.489 802 HG12 VAL 29 HG12 VAL 29 189.528 -0.779 -10.941 803 HG13 VAL 29 HG13 VAL 29 188.686 -1.481 -9.561 804 HG21 VAL 29 HG21 VAL 29 191.341 1.062 -9.281 805 HG22 VAL 29 HG22 VAL 29 190.258 2.451 -9.190 806 HG23 VAL 29 HG23 VAL 29 190.473 1.600 -10.720 807 H ALA 30 HN ALA 30 186.613 1.523 -7.682 808 HA ALA 30 HA ALA 30 186.720 4.447 -7.865 809 HB1 ALA 30 HB1 ALA 30 184.503 3.484 -7.625 810 HB2 ALA 30 HB2 ALA 30 184.920 4.423 -6.192 811 HB3 ALA 30 HB3 ALA 30 184.999 2.661 -6.147 812 H GLN 31 HN GLN 31 187.069 5.677 -5.858 813 HA GLN 31 HA GLN 31 188.467 4.335 -3.709 814 HB2 GLN 31 HB2 GLN 31 189.872 6.360 -5.459 815 HB3 GLN 31 HB1 GLN 31 190.488 5.764 -3.925 816 HG2 GLN 31 HG2 GLN 31 190.527 3.485 -4.861 817 HG3 GLN 31 HG1 GLN 31 190.000 4.140 -6.411 818 HE21 GLN 31 HE21 GLN 31 192.446 2.707 -5.719 819 HE22 GLN 31 HE22 GLN 31 193.752 3.750 -6.155 820 H TRP 32 HN TRP 32 188.131 5.333 -1.822 821 HA TRP 32 HA TRP 32 187.659 8.189 -1.702 822 HB2 TRP 32 HB2 TRP 32 185.500 7.957 -0.526 823 HB3 TRP 32 HB1 TRP 32 185.419 7.361 -2.181 824 HD1 TRP 32 HD1 TRP 32 184.845 6.312 1.370 825 HE1 TRP 32 HE1 TRP 32 184.093 3.850 1.438 826 HE3 TRP 32 HE3 TRP 32 185.848 5.017 -3.474 827 HZ2 TRP 32 HZ2 TRP 32 183.949 1.652 -0.323 828 HZ3 TRP 32 HZ3 TRP 32 185.375 2.714 -4.201 829 HH2 TRP 32 HH2 TRP 32 184.445 1.068 -2.656 830 H ASP 33 HN ASP 33 188.496 9.012 0.104 831 HA ASP 33 HA ASP 33 189.996 7.501 1.892 832 HB2 ASP 33 HB2 ASP 33 188.807 10.253 2.299 833 HB3 ASP 33 HB1 ASP 33 190.096 9.549 3.272 834 H THR 34 HN THR 34 189.692 6.832 4.010 835 HA THR 34 HA THR 34 187.120 7.159 5.295 836 HB THR 34 HB THR 34 186.678 4.766 5.554 837 HG1 THR 34 HG1 THR 34 188.387 3.544 5.238 838 HG21 THR 34 HG21 THR 34 187.013 5.506 2.645 839 HG22 THR 34 HG22 THR 34 185.658 5.989 3.666 840 HG23 THR 34 HG23 THR 34 185.922 4.284 3.299 841 H ALA 35 HN ALA 35 187.435 7.365 7.413 842 HA ALA 35 HA ALA 35 189.969 7.177 8.598 843 HB1 ALA 35 HB1 ALA 35 187.275 7.203 9.955 844 HB2 ALA 35 HB2 ALA 35 188.191 8.624 9.456 845 HB3 ALA 35 HB3 ALA 35 188.824 7.565 10.715 846 H VAL 36 HN VAL 36 190.888 5.685 9.995 847 HA VAL 36 HA VAL 36 189.495 3.125 10.339 848 HB VAL 36 HB VAL 36 192.369 3.341 9.430 849 HG11 VAL 36 HG11 VAL 36 192.215 0.904 9.178 850 HG12 VAL 36 HG12 VAL 36 190.584 0.945 9.845 851 HG13 VAL 36 HG13 VAL 36 191.959 1.409 10.847 852 HG21 VAL 36 HG21 VAL 36 191.579 2.382 7.313 853 HG22 VAL 36 HG22 VAL 36 190.852 3.957 7.629 854 HG23 VAL 36 HG23 VAL 36 189.917 2.486 7.893 855 H PHE 37 HN PHE 37 190.118 1.926 12.155 856 HA PHE 37 HA PHE 37 192.262 2.666 13.859 857 HB2 PHE 37 HB2 PHE 37 190.934 3.509 15.760 858 HB3 PHE 37 HB1 PHE 37 190.832 4.576 14.365 859 HD1 PHE 37 HD1 PHE 37 188.775 4.576 12.969 860 HD2 PHE 37 HD2 PHE 37 189.014 2.471 16.659 861 HE1 PHE 37 HE1 PHE 37 186.321 4.458 13.055 862 HE2 PHE 37 HE2 PHE 37 186.559 2.349 16.753 863 HZ PHE 37 HZ PHE 37 185.208 3.343 14.949 864 H HIS 38 HN HIS 38 192.047 1.523 16.044 865 HA HIS 38 HA HIS 38 191.087 -1.169 15.510 866 HB2 HIS 38 HB2 HIS 38 193.359 -0.843 16.413 867 HB3 HIS 38 HB1 HIS 38 192.674 -0.091 17.850 868 HD1 HIS 38 HD1 HIS 38 191.667 -1.635 19.629 869 HD2 HIS 38 HD2 HIS 38 193.055 -3.646 16.266 870 HE1 HIS 38 HE1 HIS 38 191.668 -4.071 20.255 871 HE2 HIS 38 HE2 HIS 38 192.510 -5.271 18.205 872 H THR 39 HN THR 39 189.601 -2.279 16.763 873 HA THR 39 HA THR 39 188.055 -0.646 18.669 874 HB THR 39 HB THR 39 186.021 -1.841 17.956 875 HG1 THR 39 HG1 THR 39 187.099 -3.721 17.115 876 HG21 THR 39 HG21 THR 39 185.758 -0.755 15.766 877 HG22 THR 39 HG22 THR 39 187.501 -0.489 15.696 878 HG23 THR 39 HG23 THR 39 186.535 0.313 16.935 879 H THR 40 HN THR 40 187.564 -1.554 20.592 880 HA THR 40 HA THR 40 188.703 -4.185 21.147 881 HB THR 40 HB THR 40 188.373 -3.621 23.521 882 HG1 THR 40 HG1 THR 40 187.436 -1.106 22.555 883 HG21 THR 40 HG21 THR 40 189.993 -1.783 23.650 884 HG22 THR 40 HG22 THR 40 189.732 -1.435 21.940 885 HG23 THR 40 HG23 THR 40 190.459 -2.965 22.427 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 171.257 -0.570 17.115 2 H2 ALA 1 HT2 ALA 1 171.011 0.135 15.598 3 H3 ALA 1 HT3 ALA 1 172.581 -0.208 16.126 4 HA ALA 1 HA ALA 1 172.128 -2.563 16.090 5 HB1 ALA 1 HB1 ALA 1 170.036 -3.405 15.178 6 HB2 ALA 1 HB2 ALA 1 169.436 -1.756 14.999 7 HB3 ALA 1 HB3 ALA 1 169.741 -2.414 16.607 8 HA PRO 2 HA PRO 2 174.002 -1.264 12.115 9 HB2 PRO 2 HB2 PRO 2 175.119 -4.001 12.492 10 HB3 PRO 2 HB1 PRO 2 175.944 -2.497 12.057 11 HG2 PRO 2 HG2 PRO 2 176.177 -3.490 14.504 12 HG3 PRO 2 HG1 PRO 2 176.041 -1.741 14.235 13 HD2 PRO 2 HD2 PRO 2 173.995 -3.658 15.241 14 HD3 PRO 2 HD1 PRO 2 174.274 -1.962 15.684 15 H VAL 3 HN VAL 3 173.934 -2.199 9.965 16 HA VAL 3 HA VAL 3 172.069 -4.430 9.621 17 HB VAL 3 HB VAL 3 170.871 -3.211 7.829 18 HG11 VAL 3 HG11 VAL 3 169.515 -1.809 9.316 19 HG12 VAL 3 HG12 VAL 3 170.775 -1.905 10.546 20 HG13 VAL 3 HG13 VAL 3 169.907 -3.361 10.057 21 HG21 VAL 3 HG21 VAL 3 171.058 -0.692 7.882 22 HG22 VAL 3 HG22 VAL 3 172.422 -1.547 7.165 23 HG23 VAL 3 HG23 VAL 3 172.546 -0.908 8.804 24 HA PRO 4 HA PRO 4 175.480 -5.451 6.852 25 HB2 PRO 4 HB2 PRO 4 173.692 -7.698 6.146 26 HB3 PRO 4 HB1 PRO 4 175.354 -7.730 6.750 27 HG2 PRO 4 HG2 PRO 4 173.320 -8.449 8.311 28 HG3 PRO 4 HG1 PRO 4 174.717 -7.565 8.956 29 HD2 PRO 4 HD2 PRO 4 171.989 -6.549 8.287 30 HD3 PRO 4 HD1 PRO 4 173.046 -6.138 9.654 31 H VAL 5 HN VAL 5 175.828 -5.349 4.642 32 HA VAL 5 HA VAL 5 173.646 -4.203 3.095 33 HB VAL 5 HB VAL 5 176.554 -4.564 2.354 34 HG11 VAL 5 HG11 VAL 5 176.094 -2.977 0.559 35 HG12 VAL 5 HG12 VAL 5 174.396 -2.923 1.030 36 HG13 VAL 5 HG13 VAL 5 175.089 -4.417 0.400 37 HG21 VAL 5 HG21 VAL 5 176.766 -2.173 2.817 38 HG22 VAL 5 HG22 VAL 5 176.265 -3.063 4.255 39 HG23 VAL 5 HG23 VAL 5 175.083 -2.124 3.344 40 H THR 6 HN THR 6 172.480 -5.313 1.669 41 HA THR 6 HA THR 6 173.224 -8.059 1.056 42 HB THR 6 HB THR 6 170.982 -8.238 0.051 43 HG1 THR 6 HG1 THR 6 169.823 -6.501 -0.351 44 HG21 THR 6 HG21 THR 6 170.975 -6.962 2.789 45 HG22 THR 6 HG22 THR 6 171.248 -8.669 2.443 46 HG23 THR 6 HG23 THR 6 169.677 -7.943 2.106 47 H LYS 7 HN LYS 7 172.598 -5.011 -0.626 48 HA LYS 7 HA LYS 7 174.016 -6.094 -2.960 49 HB2 LYS 7 HB2 LYS 7 171.491 -6.052 -3.267 50 HB3 LYS 7 HB1 LYS 7 171.601 -4.299 -3.196 51 HG2 LYS 7 HG2 LYS 7 173.011 -4.272 -5.158 52 HG3 LYS 7 HG1 LYS 7 173.023 -6.037 -5.203 53 HD2 LYS 7 HD2 LYS 7 170.547 -5.980 -5.477 54 HD3 LYS 7 HD1 LYS 7 170.646 -4.221 -5.598 55 HE2 LYS 7 HE2 LYS 7 172.110 -4.451 -7.553 56 HE3 LYS 7 HE1 LYS 7 171.988 -6.205 -7.434 57 HZ1 LYS 7 HZ1 LYS 7 170.473 -5.318 -9.094 58 HZ2 LYS 7 HZ2 LYS 7 169.724 -4.347 -7.929 59 HZ3 LYS 7 HZ3 LYS 7 169.610 -6.031 -7.823 60 H LEU 8 HN LEU 8 175.542 -4.767 -3.774 61 HA LEU 8 HA LEU 8 175.534 -1.955 -2.902 62 HB2 LEU 8 HB2 LEU 8 177.153 -3.536 -1.674 63 HB3 LEU 8 HB1 LEU 8 178.055 -3.568 -3.175 64 HG LEU 8 HG LEU 8 179.020 -1.968 -1.620 65 HD11 LEU 8 HD11 LEU 8 179.192 -0.093 -3.077 66 HD12 LEU 8 HD12 LEU 8 177.650 -0.473 -3.843 67 HD13 LEU 8 HD13 LEU 8 179.037 -1.534 -4.081 68 HD21 LEU 8 HD21 LEU 8 176.986 -1.448 -0.360 69 HD22 LEU 8 HD22 LEU 8 176.358 -0.560 -1.749 70 HD23 LEU 8 HD23 LEU 8 177.802 0.014 -0.916 71 H VAL 9 HN VAL 9 175.267 -0.761 -4.668 72 HA VAL 9 HA VAL 9 176.582 -1.609 -7.162 73 HB VAL 9 HB VAL 9 174.970 -0.164 -8.338 74 HG11 VAL 9 HG11 VAL 9 172.992 -1.563 -7.993 75 HG12 VAL 9 HG12 VAL 9 173.692 -2.181 -6.497 76 HG13 VAL 9 HG13 VAL 9 174.468 -2.528 -8.043 77 HG21 VAL 9 HG21 VAL 9 173.040 0.749 -7.130 78 HG22 VAL 9 HG22 VAL 9 174.555 1.461 -6.574 79 HG23 VAL 9 HG23 VAL 9 173.754 0.225 -5.604 80 H CYS 10 HN CYS 10 177.183 0.268 -8.623 81 HA CYS 10 HA CYS 10 178.075 2.628 -7.138 82 HB2 CYS 10 HB2 CYS 10 179.971 1.070 -7.114 83 HB3 CYS 10 HB1 CYS 10 179.887 0.929 -8.867 84 HG CYS 10 HG CYS 10 181.287 3.310 -6.982 85 H ASP 11 HN ASP 11 178.257 4.494 -8.362 86 HA ASP 11 HA ASP 11 177.300 4.274 -11.141 87 HB2 ASP 11 HB2 ASP 11 176.863 6.530 -9.172 88 HB3 ASP 11 HB1 ASP 11 176.305 6.511 -10.842 89 H GLY 12 HN GLY 12 178.850 4.688 -12.562 90 HA2 GLY 12 HA2 GLY 12 181.200 6.201 -11.803 91 HA3 GLY 12 HA1 GLY 12 180.925 5.396 -13.341 92 H ASP 13 HN ASP 13 178.260 6.776 -13.563 93 HA ASP 13 HA ASP 13 179.034 8.900 -15.193 94 HB2 ASP 13 HB2 ASP 13 176.381 8.470 -13.801 95 HB3 ASP 13 HB1 ASP 13 176.656 9.569 -15.149 96 H THR 14 HN THR 14 177.969 8.893 -11.816 97 HA THR 14 HA THR 14 178.816 11.711 -11.621 98 HB THR 14 HB THR 14 177.286 11.937 -9.709 99 HG1 THR 14 HG1 THR 14 175.770 10.203 -9.360 100 HG21 THR 14 HG21 THR 14 176.486 12.529 -11.943 101 HG22 THR 14 HG22 THR 14 175.179 11.867 -10.962 102 HG23 THR 14 HG23 THR 14 175.946 10.870 -12.197 103 H TYR 15 HN TYR 15 179.996 8.786 -11.022 104 HA TYR 15 HA TYR 15 181.578 7.936 -9.632 105 HB2 TYR 15 HB2 TYR 15 181.884 10.797 -8.702 106 HB3 TYR 15 HB1 TYR 15 183.048 9.498 -8.470 107 HD1 TYR 15 HD1 TYR 15 182.226 12.255 -10.456 108 HD2 TYR 15 HD2 TYR 15 183.808 8.315 -10.731 109 HE1 TYR 15 HE1 TYR 15 183.289 12.838 -12.595 110 HE2 TYR 15 HE2 TYR 15 184.876 8.887 -12.870 111 HH TYR 15 HH TYR 15 184.591 10.516 -14.694 112 H LYS 16 HN LYS 16 178.709 8.477 -8.707 113 HA LYS 16 HA LYS 16 179.116 8.533 -5.811 114 HB2 LYS 16 HB2 LYS 16 176.587 8.624 -7.465 115 HB3 LYS 16 HB1 LYS 16 176.632 8.671 -5.708 116 HG2 LYS 16 HG2 LYS 16 177.908 10.759 -5.801 117 HG3 LYS 16 HG1 LYS 16 177.837 10.714 -7.564 118 HD2 LYS 16 HD2 LYS 16 175.410 10.856 -7.489 119 HD3 LYS 16 HD1 LYS 16 175.447 10.835 -5.725 120 HE2 LYS 16 HE2 LYS 16 176.702 12.936 -5.729 121 HE3 LYS 16 HE1 LYS 16 176.668 12.955 -7.492 122 HZ1 LYS 16 HZ1 LYS 16 174.260 13.099 -7.412 123 HZ2 LYS 16 HZ2 LYS 16 174.957 14.378 -6.553 124 HZ3 LYS 16 HZ3 LYS 16 174.286 13.068 -5.720 125 H CYS 17 HN CYS 17 178.341 6.887 -4.448 126 HA CYS 17 HA CYS 17 177.852 4.312 -5.796 127 HB2 CYS 17 HB2 CYS 17 180.077 4.369 -4.766 128 HB3 CYS 17 HB1 CYS 17 179.358 4.804 -3.219 129 HG CYS 17 HG CYS 17 177.892 2.338 -3.094 130 H THR 18 HN THR 18 176.191 3.074 -5.084 131 HA THR 18 HA THR 18 174.600 4.145 -2.844 132 HB THR 18 HB THR 18 173.578 2.602 -5.238 133 HG1 THR 18 HG1 THR 18 174.288 4.855 -5.589 134 HG21 THR 18 HG21 THR 18 172.236 2.240 -3.231 135 HG22 THR 18 HG22 THR 18 171.358 3.235 -4.393 136 HG23 THR 18 HG23 THR 18 172.113 3.982 -2.985 137 H ALA 19 HN ALA 19 173.534 2.638 -1.478 138 HA ALA 19 HA ALA 19 174.368 -0.159 -1.703 139 HB1 ALA 19 HB1 ALA 19 174.686 1.396 0.857 140 HB2 ALA 19 HB2 ALA 19 176.006 1.046 -0.259 141 HB3 ALA 19 HB3 ALA 19 175.161 -0.275 0.550 142 H TYR 20 HN TYR 20 172.855 -1.593 -1.051 143 HA TYR 20 HA TYR 20 170.295 -0.500 -0.171 144 HB2 TYR 20 HB2 TYR 20 171.048 -3.243 -1.196 145 HB3 TYR 20 HB1 TYR 20 169.419 -2.767 -0.725 146 HD1 TYR 20 HD1 TYR 20 167.992 -1.757 -2.276 147 HD2 TYR 20 HD2 TYR 20 172.167 -1.912 -3.086 148 HE1 TYR 20 HE1 TYR 20 167.577 -0.911 -4.547 149 HE2 TYR 20 HE2 TYR 20 171.763 -1.066 -5.359 150 HH TYR 20 HH TYR 20 168.803 0.274 -6.325 151 H LEU 21 HN LEU 21 169.906 -0.417 1.931 152 HA LEU 21 HA LEU 21 171.347 -2.108 3.785 153 HB2 LEU 21 HB2 LEU 21 169.212 -0.038 4.307 154 HB3 LEU 21 HB1 LEU 21 170.225 -0.800 5.520 155 HG LEU 21 HG LEU 21 171.152 1.070 3.339 156 HD11 LEU 21 HD11 LEU 21 169.978 2.195 5.147 157 HD12 LEU 21 HD12 LEU 21 171.703 2.557 5.201 158 HD13 LEU 21 HD13 LEU 21 171.008 1.394 6.333 159 HD21 LEU 21 HD21 LEU 21 172.824 -0.642 3.765 160 HD22 LEU 21 HD22 LEU 21 172.723 -0.332 5.497 161 HD23 LEU 21 HD23 LEU 21 173.349 0.911 4.415 162 H ASP 22 HN ASP 22 170.360 -3.484 5.329 163 HA ASP 22 HA ASP 22 167.903 -4.732 4.331 164 HB2 ASP 22 HB2 ASP 22 169.914 -6.156 4.649 165 HB3 ASP 22 HB1 ASP 22 169.893 -5.764 6.366 166 H TYR 23 HN TYR 23 167.992 -2.225 5.915 167 HA TYR 23 HA TYR 23 167.282 -2.596 8.580 168 HB2 TYR 23 HB2 TYR 23 167.793 -0.400 7.599 169 HB3 TYR 23 HB1 TYR 23 166.299 -0.465 6.669 170 HD1 TYR 23 HD1 TYR 23 167.741 -0.043 10.021 171 HD2 TYR 23 HD2 TYR 23 164.167 -0.037 7.713 172 HE1 TYR 23 HE1 TYR 23 166.545 1.021 11.887 173 HE2 TYR 23 HE2 TYR 23 162.961 1.029 9.572 174 HH TYR 23 HH TYR 23 163.159 1.254 12.007 175 H GLY 24 HN GLY 24 164.977 -1.858 5.955 176 HA2 GLY 24 HA2 GLY 24 163.044 -3.635 7.312 177 HA3 GLY 24 HA1 GLY 24 162.573 -2.070 6.668 178 H ASP 25 HN ASP 25 161.506 -2.210 4.822 179 HA ASP 25 HA ASP 25 161.303 -4.546 3.286 180 HB2 ASP 25 HB2 ASP 25 159.596 -2.772 3.283 181 HB3 ASP 25 HB1 ASP 25 160.718 -1.693 2.460 182 H GLY 26 HN GLY 26 163.571 -1.917 3.193 183 HA2 GLY 26 HA2 GLY 26 165.742 -2.411 2.186 184 HA3 GLY 26 HA1 GLY 26 164.877 -3.204 0.878 185 H LYS 27 HN LYS 27 163.761 -0.186 2.217 186 HA LYS 27 HA LYS 27 164.149 1.080 -0.371 187 HB2 LYS 27 HB2 LYS 27 162.766 2.084 2.124 188 HB3 LYS 27 HB1 LYS 27 162.773 2.901 0.567 189 HG2 LYS 27 HG2 LYS 27 161.573 0.199 1.141 190 HG3 LYS 27 HG1 LYS 27 160.688 1.710 0.929 191 HD2 LYS 27 HD2 LYS 27 161.531 1.879 -1.365 192 HD3 LYS 27 HD1 LYS 27 162.414 0.365 -1.150 193 HE2 LYS 27 HE2 LYS 27 160.299 -0.809 -0.770 194 HE3 LYS 27 HE1 LYS 27 159.420 0.704 -0.988 195 HZ1 LYS 27 HZ1 LYS 27 161.094 -0.633 -3.047 196 HZ2 LYS 27 HZ2 LYS 27 160.246 0.815 -3.256 197 HZ3 LYS 27 HZ3 LYS 27 159.402 -0.628 -3.001 198 H TRP 28 HN TRP 28 165.210 1.439 2.973 199 HA TRP 28 HA TRP 28 166.604 3.868 2.657 200 HB2 TRP 28 HB2 TRP 28 167.227 1.628 4.593 201 HB3 TRP 28 HB1 TRP 28 167.699 3.317 4.755 202 HD1 TRP 28 HD1 TRP 28 164.588 1.061 4.943 203 HE1 TRP 28 HE1 TRP 28 162.788 2.277 6.323 204 HE3 TRP 28 HE3 TRP 28 166.926 5.570 5.533 205 HZ2 TRP 28 HZ2 TRP 28 162.410 4.812 7.506 206 HZ3 TRP 28 HZ3 TRP 28 165.777 7.336 6.802 207 HH2 TRP 28 HH2 TRP 28 163.566 6.964 7.766 208 H VAL 29 HN VAL 29 168.452 4.316 1.636 209 HA VAL 29 HA VAL 29 170.405 2.161 1.238 210 HB VAL 29 HB VAL 29 170.793 2.791 -1.067 211 HG11 VAL 29 HG11 VAL 29 169.121 1.075 -0.640 212 HG12 VAL 29 HG12 VAL 29 168.691 2.024 -2.063 213 HG13 VAL 29 HG13 VAL 29 167.866 2.309 -0.531 214 HG21 VAL 29 HG21 VAL 29 169.294 4.388 -2.216 215 HG22 VAL 29 HG22 VAL 29 170.284 5.150 -0.973 216 HG23 VAL 29 HG23 VAL 29 168.584 4.805 -0.657 217 H ALA 30 HN ALA 30 172.539 2.781 1.225 218 HA ALA 30 HA ALA 30 173.076 5.443 2.270 219 HB1 ALA 30 HB1 ALA 30 175.335 4.589 2.697 220 HB2 ALA 30 HB2 ALA 30 174.913 3.079 1.887 221 HB3 ALA 30 HB3 ALA 30 174.101 3.533 3.385 222 H GLN 31 HN GLN 31 174.005 7.059 1.148 223 HA GLN 31 HA GLN 31 175.142 6.431 -1.495 224 HB2 GLN 31 HB2 GLN 31 172.781 7.443 -1.508 225 HB3 GLN 31 HB1 GLN 31 173.547 8.926 -0.958 226 HG2 GLN 31 HG2 GLN 31 174.989 8.872 -2.968 227 HG3 GLN 31 HG1 GLN 31 174.089 7.463 -3.527 228 HE21 GLN 31 HE21 GLN 31 173.365 8.511 -5.368 229 HE22 GLN 31 HE22 GLN 31 172.158 9.745 -5.318 230 H TRP 32 HN TRP 32 177.022 7.412 -1.987 231 HA TRP 32 HA TRP 32 177.887 9.818 -0.667 232 HB2 TRP 32 HB2 TRP 32 179.902 8.867 0.345 233 HB3 TRP 32 HB1 TRP 32 178.457 8.133 1.032 234 HD1 TRP 32 HD1 TRP 32 181.629 7.289 -0.796 235 HE1 TRP 32 HE1 TRP 32 181.772 4.742 -1.145 236 HE3 TRP 32 HE3 TRP 32 176.873 6.010 0.578 237 HZ2 TRP 32 HZ2 TRP 32 180.091 2.491 -0.875 238 HZ3 TRP 32 HZ3 TRP 32 176.222 3.640 0.503 239 HH2 TRP 32 HH2 TRP 32 177.798 1.918 -0.209 240 H ASP 33 HN ASP 33 179.647 10.802 -1.692 241 HA ASP 33 HA ASP 33 180.018 10.017 -4.429 242 HB2 ASP 33 HB2 ASP 33 181.295 12.249 -2.834 243 HB3 ASP 33 HB1 ASP 33 181.415 12.050 -4.580 244 H THR 34 HN THR 34 182.134 9.774 -5.438 245 HA THR 34 HA THR 34 184.355 9.003 -3.743 246 HB THR 34 HB THR 34 184.610 6.771 -4.774 247 HG1 THR 34 HG1 THR 34 183.326 6.182 -6.349 248 HG21 THR 34 HG21 THR 34 181.954 7.153 -3.387 249 HG22 THR 34 HG22 THR 34 183.518 6.995 -2.585 250 HG23 THR 34 HG23 THR 34 182.857 5.643 -3.506 251 H ALA 35 HN ALA 35 186.113 7.957 -5.343 252 HA ALA 35 HA ALA 35 186.204 9.689 -7.728 253 HB1 ALA 35 HB1 ALA 35 187.754 10.471 -6.009 254 HB2 ALA 35 HB2 ALA 35 188.620 9.870 -7.422 255 HB3 ALA 35 HB3 ALA 35 188.517 8.880 -5.965 256 H VAL 36 HN VAL 36 185.964 8.459 -9.475 257 HA VAL 36 HA VAL 36 187.135 5.762 -9.489 258 HB VAL 36 HB VAL 36 185.061 6.895 -11.371 259 HG11 VAL 36 HG11 VAL 36 184.717 4.552 -12.009 260 HG12 VAL 36 HG12 VAL 36 186.033 4.072 -10.938 261 HG13 VAL 36 HG13 VAL 36 186.364 5.084 -12.343 262 HG21 VAL 36 HG21 VAL 36 183.444 5.530 -10.134 263 HG22 VAL 36 HG22 VAL 36 184.175 6.764 -9.107 264 HG23 VAL 36 HG23 VAL 36 184.704 5.086 -8.983 265 H PHE 37 HN PHE 37 188.458 5.084 -11.163 266 HA PHE 37 HA PHE 37 189.091 6.833 -13.362 267 HB2 PHE 37 HB2 PHE 37 191.497 7.013 -12.815 268 HB3 PHE 37 HB1 PHE 37 190.482 7.842 -11.639 269 HD1 PHE 37 HD1 PHE 37 192.670 4.966 -12.227 270 HD2 PHE 37 HD2 PHE 37 190.313 7.066 -9.373 271 HE1 PHE 37 HE1 PHE 37 193.740 3.693 -10.414 272 HE2 PHE 37 HE2 PHE 37 191.380 5.797 -7.554 273 HZ PHE 37 HZ PHE 37 193.096 4.109 -8.073 274 H HIS 38 HN HIS 38 190.284 5.811 -15.002 275 HA HIS 38 HA HIS 38 190.034 2.946 -15.015 276 HB2 HIS 38 HB2 HIS 38 189.533 4.270 -17.024 277 HB3 HIS 38 HB1 HIS 38 191.205 4.819 -17.084 278 HD1 HIS 38 HD1 HIS 38 192.878 3.317 -18.223 279 HD2 HIS 38 HD2 HIS 38 189.195 1.481 -17.645 280 HE1 HIS 38 HE1 HIS 38 192.992 1.162 -19.513 281 HE2 HIS 38 HE2 HIS 38 190.752 0.066 -19.149 282 H THR 39 HN THR 39 191.574 1.462 -14.680 283 HA THR 39 HA THR 39 194.242 2.406 -13.954 284 HB THR 39 HB THR 39 194.589 0.150 -13.032 285 HG1 THR 39 HG1 THR 39 191.881 -0.329 -13.784 286 HG21 THR 39 HG21 THR 39 193.608 1.872 -11.601 287 HG22 THR 39 HG22 THR 39 192.953 0.282 -11.208 288 HG23 THR 39 HG23 THR 39 191.994 1.422 -12.153 289 H THR 40 HN THR 40 196.058 0.793 -14.532 290 HA THR 40 HA THR 40 195.731 -0.434 -17.152 291 HB THR 40 HB THR 40 197.674 0.736 -18.112 292 HG1 THR 40 HG1 THR 40 198.345 2.694 -16.977 293 HG21 THR 40 HG21 THR 40 196.588 2.898 -18.518 294 HG22 THR 40 HG22 THR 40 195.490 2.599 -17.170 295 HG23 THR 40 HG23 THR 40 195.429 1.570 -18.602 296 H1 ALA 1 HT1 ALA 1 200.784 -3.880 0.802 297 H2 ALA 1 HT2 ALA 1 199.671 -3.359 1.963 298 H3 ALA 1 HT3 ALA 1 199.372 -3.081 0.322 299 HA ALA 1 HA ALA 1 199.184 -5.437 -0.089 300 HB1 ALA 1 HB1 ALA 1 199.201 -7.019 1.759 301 HB2 ALA 1 HB2 ALA 1 199.567 -5.714 2.888 302 HB3 ALA 1 HB3 ALA 1 200.741 -6.166 1.652 303 HA PRO 2 HA PRO 2 195.042 -3.653 0.724 304 HB2 PRO 2 HB2 PRO 2 194.449 -5.771 -1.286 305 HB3 PRO 2 HB1 PRO 2 193.924 -4.082 -1.241 306 HG2 PRO 2 HG2 PRO 2 195.818 -4.848 -2.932 307 HG3 PRO 2 HG1 PRO 2 195.909 -3.282 -2.103 308 HD2 PRO 2 HD2 PRO 2 197.426 -5.788 -1.568 309 HD3 PRO 2 HD1 PRO 2 197.949 -4.097 -1.433 310 H VAL 3 HN VAL 3 193.042 -4.607 1.490 311 HA VAL 3 HA VAL 3 193.241 -7.378 2.413 312 HB VAL 3 HB VAL 3 192.394 -6.740 4.653 313 HG11 VAL 3 HG11 VAL 3 194.529 -5.897 5.517 314 HG12 VAL 3 HG12 VAL 3 195.025 -5.485 3.874 315 HG13 VAL 3 HG13 VAL 3 194.766 -7.172 4.320 316 HG21 VAL 3 HG21 VAL 3 192.743 -4.330 5.325 317 HG22 VAL 3 HG22 VAL 3 191.365 -4.641 4.270 318 HG23 VAL 3 HG23 VAL 3 192.847 -3.954 3.605 319 HA PRO 4 HA PRO 4 189.109 -7.146 0.620 320 HB2 PRO 4 HB2 PRO 4 188.954 -9.914 1.649 321 HB3 PRO 4 HB1 PRO 4 188.727 -9.311 0.002 322 HG2 PRO 4 HG2 PRO 4 190.910 -10.687 0.665 323 HG3 PRO 4 HG1 PRO 4 190.979 -9.330 -0.477 324 HD2 PRO 4 HD2 PRO 4 191.780 -9.415 2.399 325 HD3 PRO 4 HD1 PRO 4 192.567 -8.603 1.028 326 H VAL 5 HN VAL 5 187.026 -6.985 1.425 327 HA VAL 5 HA VAL 5 186.830 -6.773 4.322 328 HB VAL 5 HB VAL 5 184.807 -6.054 2.191 329 HG11 VAL 5 HG11 VAL 5 183.680 -4.801 3.956 330 HG12 VAL 5 HG12 VAL 5 184.871 -5.365 5.128 331 HG13 VAL 5 HG13 VAL 5 183.776 -6.515 4.362 332 HG21 VAL 5 HG21 VAL 5 185.485 -3.742 2.606 333 HG22 VAL 5 HG22 VAL 5 186.838 -4.712 2.026 334 HG23 VAL 5 HG23 VAL 5 186.716 -4.304 3.737 335 H THR 6 HN THR 6 185.933 -8.273 5.572 336 HA THR 6 HA THR 6 184.639 -10.568 4.334 337 HB THR 6 HB THR 6 184.742 -11.591 6.571 338 HG1 THR 6 HG1 THR 6 185.180 -10.418 8.291 339 HG21 THR 6 HG21 THR 6 187.347 -10.330 5.703 340 HG22 THR 6 HG22 THR 6 186.659 -11.825 5.069 341 HG23 THR 6 HG23 THR 6 187.185 -11.740 6.750 342 H LYS 7 HN LYS 7 183.910 -8.017 6.673 343 HA LYS 7 HA LYS 7 181.052 -8.565 6.269 344 HB2 LYS 7 HB2 LYS 7 181.932 -9.468 8.478 345 HB3 LYS 7 HB1 LYS 7 182.212 -7.798 8.947 346 HG2 LYS 7 HG2 LYS 7 179.854 -7.307 8.747 347 HG3 LYS 7 HG1 LYS 7 179.540 -8.943 8.163 348 HD2 LYS 7 HD2 LYS 7 180.428 -9.813 10.322 349 HD3 LYS 7 HD1 LYS 7 180.546 -8.148 10.894 350 HE2 LYS 7 HE2 LYS 7 178.131 -7.875 10.559 351 HE3 LYS 7 HE1 LYS 7 178.023 -9.546 10.010 352 HZ1 LYS 7 HZ1 LYS 7 177.385 -9.330 12.329 353 HZ2 LYS 7 HZ2 LYS 7 178.895 -8.672 12.712 354 HZ3 LYS 7 HZ3 LYS 7 178.782 -10.274 12.183 355 H LEU 8 HN LEU 8 179.849 -6.793 5.866 356 HA LEU 8 HA LEU 8 181.049 -4.159 6.406 357 HB2 LEU 8 HB2 LEU 8 181.155 -4.994 3.973 358 HB3 LEU 8 HB1 LEU 8 179.422 -4.733 3.945 359 HG LEU 8 HG LEU 8 180.597 -2.845 2.961 360 HD11 LEU 8 HD11 LEU 8 179.526 -1.083 4.151 361 HD12 LEU 8 HD12 LEU 8 179.492 -2.027 5.637 362 HD13 LEU 8 HD13 LEU 8 178.494 -2.507 4.266 363 HD21 LEU 8 HD21 LEU 8 182.703 -3.078 4.188 364 HD22 LEU 8 HD22 LEU 8 181.902 -2.525 5.659 365 HD23 LEU 8 HD23 LEU 8 182.069 -1.435 4.284 366 H VAL 9 HN VAL 9 179.800 -3.200 7.868 367 HA VAL 9 HA VAL 9 176.884 -3.572 7.704 368 HB VAL 9 HB VAL 9 176.802 -2.859 10.061 369 HG11 VAL 9 HG11 VAL 9 177.788 -4.880 11.028 370 HG12 VAL 9 HG12 VAL 9 178.691 -5.151 9.538 371 HG13 VAL 9 HG13 VAL 9 176.928 -5.232 9.528 372 HG21 VAL 9 HG21 VAL 9 178.878 -2.690 11.358 373 HG22 VAL 9 HG22 VAL 9 178.789 -1.454 10.104 374 HG23 VAL 9 HG23 VAL 9 179.814 -2.871 9.874 375 H CYS 10 HN CYS 10 175.616 -1.649 8.545 376 HA CYS 10 HA CYS 10 176.877 0.915 7.909 377 HB2 CYS 10 HB2 CYS 10 175.803 0.170 5.834 378 HB3 CYS 10 HB1 CYS 10 174.279 -0.043 6.689 379 HG CYS 10 HG CYS 10 175.667 2.740 5.460 380 H ASP 11 HN ASP 11 176.007 2.680 8.975 381 HA ASP 11 HA ASP 11 173.964 2.043 11.003 382 HB2 ASP 11 HB2 ASP 11 176.237 4.034 11.182 383 HB3 ASP 11 HB1 ASP 11 175.019 3.762 12.425 384 H GLY 12 HN GLY 12 172.077 2.960 10.562 385 HA2 GLY 12 HA2 GLY 12 171.912 5.254 8.805 386 HA3 GLY 12 HA1 GLY 12 170.563 4.362 9.489 387 H ASP 13 HN ASP 13 171.786 4.653 12.223 388 HA ASP 13 HA ASP 13 170.328 6.865 13.090 389 HB2 ASP 13 HB2 ASP 13 172.684 5.524 14.434 390 HB3 ASP 13 HB1 ASP 13 171.544 6.608 15.225 391 H THR 14 HN THR 14 173.776 6.561 12.342 392 HA THR 14 HA THR 14 173.994 9.496 12.513 393 HB THR 14 HB THR 14 176.401 9.196 12.920 394 HG1 THR 14 HG1 THR 14 177.128 7.036 13.398 395 HG21 THR 14 HG21 THR 14 174.890 9.387 14.833 396 HG22 THR 14 HG22 THR 14 176.242 8.317 15.204 397 HG23 THR 14 HG23 THR 14 174.657 7.639 14.832 398 H TYR 15 HN TYR 15 173.539 7.233 10.282 399 HA TYR 15 HA TYR 15 173.914 7.068 8.048 400 HB2 TYR 15 HB2 TYR 15 175.031 9.866 8.323 401 HB3 TYR 15 HB1 TYR 15 174.510 9.097 6.828 402 HD1 TYR 15 HD1 TYR 15 173.557 11.297 9.373 403 HD2 TYR 15 HD2 TYR 15 171.999 8.213 6.891 404 HE1 TYR 15 HE1 TYR 15 171.285 12.169 9.727 405 HE2 TYR 15 HE2 TYR 15 169.722 9.078 7.236 406 HH TYR 15 HH TYR 15 168.498 10.433 8.886 407 H LYS 16 HN LYS 16 176.108 6.538 10.119 408 HA LYS 16 HA LYS 16 178.477 6.822 8.428 409 HB2 LYS 16 HB2 LYS 16 178.183 5.926 11.299 410 HB3 LYS 16 HB1 LYS 16 179.712 6.036 10.440 411 HG2 LYS 16 HG2 LYS 16 179.373 8.444 10.154 412 HG3 LYS 16 HG1 LYS 16 177.849 8.325 11.036 413 HD2 LYS 16 HD2 LYS 16 179.035 7.563 13.020 414 HD3 LYS 16 HD1 LYS 16 180.564 7.608 12.141 415 HE2 LYS 16 HE2 LYS 16 180.314 10.023 11.834 416 HE3 LYS 16 HE1 LYS 16 178.784 9.976 12.708 417 HZ1 LYS 16 HZ1 LYS 16 179.965 9.224 14.673 418 HZ2 LYS 16 HZ2 LYS 16 180.601 10.693 14.129 419 HZ3 LYS 16 HZ3 LYS 16 181.435 9.253 13.835 420 H CYS 17 HN CYS 17 179.773 5.047 7.850 421 HA CYS 17 HA CYS 17 178.416 2.435 8.021 422 HB2 CYS 17 HB2 CYS 17 178.324 3.340 5.743 423 HB3 CYS 17 HB1 CYS 17 180.074 3.524 5.735 424 HG CYS 17 HG CYS 17 180.471 0.695 6.033 425 H THR 18 HN THR 18 179.604 0.692 8.613 426 HA THR 18 HA THR 18 182.456 1.163 9.197 427 HB THR 18 HB THR 18 180.579 -0.715 10.646 428 HG1 THR 18 HG1 THR 18 180.294 1.628 10.998 429 HG21 THR 18 HG21 THR 18 182.895 -1.491 10.656 430 HG22 THR 18 HG22 THR 18 182.423 -0.925 12.259 431 HG23 THR 18 HG23 THR 18 183.432 0.089 11.226 432 H ALA 19 HN ALA 19 183.908 -0.589 8.901 433 HA ALA 19 HA ALA 19 182.905 -2.887 7.387 434 HB1 ALA 19 HB1 ALA 19 185.248 -1.251 6.435 435 HB2 ALA 19 HB2 ALA 19 183.618 -1.120 5.776 436 HB3 ALA 19 HB3 ALA 19 184.509 -2.636 5.630 437 H TYR 20 HN TYR 20 183.943 -4.759 7.821 438 HA TYR 20 HA TYR 20 186.042 -4.665 9.848 439 HB2 TYR 20 HB2 TYR 20 184.381 -6.964 8.800 440 HB3 TYR 20 HB1 TYR 20 185.605 -7.110 10.057 441 HD1 TYR 20 HD1 TYR 20 185.042 -6.744 12.295 442 HD2 TYR 20 HD2 TYR 20 182.419 -5.368 9.241 443 HE1 TYR 20 HE1 TYR 20 183.363 -6.176 14.001 444 HE2 TYR 20 HE2 TYR 20 180.733 -4.796 10.938 445 HH TYR 20 HH TYR 20 181.429 -4.673 14.253 446 H LEU 21 HN LEU 21 188.077 -4.672 9.190 447 HA LEU 21 HA LEU 21 188.795 -5.657 6.566 448 HB2 LEU 21 HB2 LEU 21 190.537 -4.508 8.748 449 HB3 LEU 21 HB1 LEU 21 191.027 -4.807 7.090 450 HG LEU 21 HG LEU 21 188.978 -2.790 8.009 451 HD11 LEU 21 HD11 LEU 21 191.270 -2.127 8.481 452 HD12 LEU 21 HD12 LEU 21 190.593 -1.152 7.176 453 HD13 LEU 21 HD13 LEU 21 191.723 -2.455 6.808 454 HD21 LEU 21 HD21 LEU 21 188.334 -3.749 5.870 455 HD22 LEU 21 HD22 LEU 21 189.950 -3.449 5.232 456 HD23 LEU 21 HD23 LEU 21 188.906 -2.094 5.659 457 H ASP 22 HN ASP 22 190.388 -7.255 6.166 458 HA ASP 22 HA ASP 22 190.432 -9.350 8.213 459 HB2 ASP 22 HB2 ASP 22 189.585 -9.920 5.950 460 HB3 ASP 22 HB1 ASP 22 191.162 -9.515 5.280 461 H TYR 23 HN TYR 23 192.167 -6.944 8.234 462 HA TYR 23 HA TYR 23 194.774 -7.475 7.415 463 HB2 TYR 23 HB2 TYR 23 194.015 -5.274 8.209 464 HB3 TYR 23 HB1 TYR 23 193.865 -5.914 9.842 465 HD1 TYR 23 HD1 TYR 23 196.222 -4.892 7.217 466 HD2 TYR 23 HD2 TYR 23 195.812 -6.274 11.220 467 HE1 TYR 23 HE1 TYR 23 198.565 -4.292 7.657 468 HE2 TYR 23 HE2 TYR 23 198.154 -5.676 11.672 469 HH TYR 23 HH TYR 23 200.238 -5.323 10.428 470 H GLY 24 HN GLY 24 193.623 -7.716 10.786 471 HA2 GLY 24 HA2 GLY 24 195.419 -10.041 11.107 472 HA3 GLY 24 HA1 GLY 24 195.305 -8.780 12.325 473 H ASP 25 HN ASP 25 194.144 -9.359 14.024 474 HA ASP 25 HA ASP 25 192.529 -11.647 14.131 475 HB2 ASP 25 HB2 ASP 25 193.570 -10.630 16.118 476 HB3 ASP 25 HB1 ASP 25 192.504 -9.237 15.964 477 H GLY 26 HN GLY 26 191.823 -8.369 13.223 478 HA2 GLY 26 HA2 GLY 26 189.879 -8.055 11.774 479 HA3 GLY 26 HA1 GLY 26 189.001 -9.148 12.834 480 H LYS 27 HN LYS 27 191.144 -6.718 14.119 481 HA LYS 27 HA LYS 27 188.888 -5.474 15.465 482 HB2 LYS 27 HB2 LYS 27 191.859 -4.981 15.736 483 HB3 LYS 27 HB1 LYS 27 190.614 -4.265 16.750 484 HG2 LYS 27 HG2 LYS 27 191.246 -7.202 16.537 485 HG3 LYS 27 HG1 LYS 27 191.693 -6.133 17.868 486 HD2 LYS 27 HD2 LYS 27 189.321 -5.729 18.333 487 HD3 LYS 27 HD1 LYS 27 188.879 -6.802 17.004 488 HE2 LYS 27 HE2 LYS 27 189.990 -8.662 18.143 489 HE3 LYS 27 HE1 LYS 27 190.427 -7.589 19.471 490 HZ1 LYS 27 HZ1 LYS 27 187.658 -8.271 18.642 491 HZ2 LYS 27 HZ2 LYS 27 188.078 -7.245 19.919 492 HZ3 LYS 27 HZ3 LYS 27 188.463 -8.891 19.994 493 H TRP 28 HN TRP 28 191.401 -4.651 13.131 494 HA TRP 28 HA TRP 28 190.864 -1.890 12.969 495 HB2 TRP 28 HB2 TRP 28 191.941 -3.686 10.786 496 HB3 TRP 28 HB1 TRP 28 192.128 -1.939 10.895 497 HD1 TRP 28 HD1 TRP 28 193.356 -5.177 12.569 498 HE1 TRP 28 HE1 TRP 28 195.567 -4.673 13.783 499 HE3 TRP 28 HE3 TRP 28 193.505 -0.110 11.912 500 HZ2 TRP 28 HZ2 TRP 28 197.166 -2.425 14.382 501 HZ3 TRP 28 HZ3 TRP 28 195.411 1.144 12.836 502 HH2 TRP 28 HH2 TRP 28 197.202 0.009 14.046 503 H VAL 29 HN VAL 29 189.199 -0.821 12.108 504 HA VAL 29 HA VAL 29 187.637 -2.112 9.986 505 HB VAL 29 HB VAL 29 185.532 -1.451 10.982 506 HG11 VAL 29 HG11 VAL 29 186.402 -3.649 11.556 507 HG12 VAL 29 HG12 VAL 29 185.492 -2.967 12.904 508 HG13 VAL 29 HG13 VAL 29 187.255 -2.965 12.940 509 HG21 VAL 29 HG21 VAL 29 185.445 -0.553 13.286 510 HG22 VAL 29 HG22 VAL 29 186.207 0.557 12.147 511 HG23 VAL 29 HG23 VAL 29 187.201 -0.384 13.259 512 H ALA 30 HN ALA 30 186.755 -0.749 8.469 513 HA ALA 30 HA ALA 30 187.836 1.953 8.434 514 HB1 ALA 30 HB1 ALA 30 187.061 2.006 6.108 515 HB2 ALA 30 HB2 ALA 30 186.308 0.426 6.326 516 HB3 ALA 30 HB3 ALA 30 188.061 0.589 6.426 517 H GLN 31 HN GLN 31 186.678 3.764 8.759 518 HA GLN 31 HA GLN 31 183.746 3.525 8.884 519 HB2 GLN 31 HB2 GLN 31 184.957 3.593 11.149 520 HB3 GLN 31 HB1 GLN 31 185.321 5.270 10.766 521 HG2 GLN 31 HG2 GLN 31 182.894 5.695 10.536 522 HG3 GLN 31 HG1 GLN 31 182.594 4.037 11.057 523 HE21 GLN 31 HE21 GLN 31 181.463 4.690 12.876 524 HE22 GLN 31 HE22 GLN 31 182.243 5.391 14.248 525 H TRP 32 HN TRP 32 182.612 5.116 7.924 526 HA TRP 32 HA TRP 32 183.749 7.709 7.407 527 HB2 TRP 32 HB2 TRP 32 183.581 7.600 4.968 528 HB3 TRP 32 HB1 TRP 32 184.727 6.404 5.565 529 HD1 TRP 32 HD1 TRP 32 181.555 6.739 3.577 530 HE1 TRP 32 HE1 TRP 32 180.795 4.417 2.767 531 HE3 TRP 32 HE3 TRP 32 184.719 3.834 6.350 532 HZ2 TRP 32 HZ2 TRP 32 181.447 1.713 3.242 533 HZ3 TRP 32 HZ3 TRP 32 184.586 1.389 6.114 534 HH2 TRP 32 HH2 TRP 32 182.983 0.353 4.592 535 H ASP 33 HN ASP 33 182.203 9.245 6.798 536 HA ASP 33 HA ASP 33 179.511 8.574 7.537 537 HB2 ASP 33 HB2 ASP 33 180.674 11.165 6.495 538 HB3 ASP 33 HB1 ASP 33 179.056 10.974 7.161 539 H THR 34 HN THR 34 177.629 9.101 6.218 540 HA THR 34 HA THR 34 177.995 9.255 3.347 541 HB THR 34 HB THR 34 176.634 7.247 2.878 542 HG1 THR 34 HG1 THR 34 175.740 6.179 4.470 543 HG21 THR 34 HG21 THR 34 179.113 6.659 4.502 544 HG22 THR 34 HG22 THR 34 179.086 7.112 2.798 545 HG23 THR 34 HG23 THR 34 178.368 5.587 3.316 546 H ALA 35 HN ALA 35 175.635 8.887 2.331 547 HA ALA 35 HA ALA 35 173.762 10.461 3.977 548 HB1 ALA 35 HB1 ALA 35 174.692 11.808 2.164 549 HB2 ALA 35 HB2 ALA 35 172.966 11.530 1.932 550 HB3 ALA 35 HB3 ALA 35 174.142 10.615 0.988 551 H VAL 36 HN VAL 36 172.148 9.179 4.591 552 HA VAL 36 HA VAL 36 171.193 7.108 2.736 553 HB VAL 36 HB VAL 36 170.651 7.339 5.699 554 HG11 VAL 36 HG11 VAL 36 169.889 5.016 5.492 555 HG12 VAL 36 HG12 VAL 36 170.160 5.088 3.750 556 HG13 VAL 36 HG13 VAL 36 168.931 6.111 4.494 557 HG21 VAL 36 HG21 VAL 36 172.261 5.508 5.960 558 HG22 VAL 36 HG22 VAL 36 173.021 6.955 5.294 559 HG23 VAL 36 HG23 VAL 36 172.634 5.596 4.239 560 H PHE 37 HN PHE 37 169.020 6.918 2.229 561 HA PHE 37 HA PHE 37 167.069 8.713 3.356 562 HB2 PHE 37 HB2 PHE 37 166.489 9.787 1.203 563 HB3 PHE 37 HB1 PHE 37 168.108 10.215 1.748 564 HD1 PHE 37 HD1 PHE 37 166.161 8.336 -0.720 565 HD2 PHE 37 HD2 PHE 37 170.057 9.496 0.542 566 HE1 PHE 37 HE1 PHE 37 167.076 7.601 -2.882 567 HE2 PHE 37 HE2 PHE 37 170.979 8.764 -1.619 568 HZ PHE 37 HZ PHE 37 169.488 7.815 -3.335 569 H HIS 38 HN HIS 38 164.932 8.157 2.827 570 HA HIS 38 HA HIS 38 164.595 5.404 2.067 571 HB2 HIS 38 HB2 HIS 38 163.259 6.391 3.878 572 HB3 HIS 38 HB1 HIS 38 162.535 7.518 2.736 573 HD1 HIS 38 HD1 HIS 38 160.548 6.708 1.414 574 HD2 HIS 38 HD2 HIS 38 162.441 3.658 3.507 575 HE1 HIS 38 HE1 HIS 38 159.034 4.711 1.207 576 HE2 HIS 38 HE2 HIS 38 160.200 2.875 2.481 577 H THR 39 HN THR 39 163.966 4.605 0.156 578 HA THR 39 HA THR 39 163.542 6.488 -2.037 579 HB THR 39 HB THR 39 163.850 4.547 -3.520 580 HG1 THR 39 HG1 THR 39 164.341 3.079 -1.125 581 HG21 THR 39 HG21 THR 39 165.815 5.825 -2.825 582 HG22 THR 39 HG22 THR 39 166.213 4.118 -3.017 583 HG23 THR 39 HG23 THR 39 165.991 4.794 -1.403 584 H THR 40 HN THR 40 161.967 5.645 -3.779 585 HA THR 40 HA THR 40 159.625 4.310 -2.680 586 HB THR 40 HB THR 40 158.081 6.086 -3.405 587 HG1 THR 40 HG1 THR 40 159.074 8.186 -3.828 588 HG21 THR 40 HG21 THR 40 158.546 7.682 -1.599 589 HG22 THR 40 HG22 THR 40 160.181 7.037 -1.452 590 HG23 THR 40 HG23 THR 40 158.794 6.018 -1.067 591 H1 ALA 1 HT1 ALA 1 172.588 3.499 -16.503 592 H2 ALA 1 HT2 ALA 1 174.192 3.603 -15.978 593 H3 ALA 1 HT3 ALA 1 172.928 3.704 -14.858 594 HA ALA 1 HA ALA 1 172.291 1.434 -15.305 595 HB1 ALA 1 HB1 ALA 1 173.664 0.025 -16.735 596 HB2 ALA 1 HB2 ALA 1 174.691 1.404 -17.130 597 HB3 ALA 1 HB3 ALA 1 173.005 1.384 -17.645 598 HA PRO 2 HA PRO 2 175.152 1.583 -11.729 599 HB2 PRO 2 HB2 PRO 2 173.329 -0.660 -11.005 600 HB3 PRO 2 HB1 PRO 2 173.865 0.716 -10.030 601 HG2 PRO 2 HG2 PRO 2 171.406 0.656 -11.019 602 HG3 PRO 2 HG1 PRO 2 172.333 2.169 -10.960 603 HD2 PRO 2 HD2 PRO 2 171.732 0.417 -13.293 604 HD3 PRO 2 HD1 PRO 2 171.874 2.185 -13.210 605 H VAL 3 HN VAL 3 176.583 -0.021 -10.793 606 HA VAL 3 HA VAL 3 176.880 -2.494 -12.330 607 HB VAL 3 HB VAL 3 179.328 -2.151 -12.496 608 HG11 VAL 3 HG11 VAL 3 179.250 -0.555 -14.356 609 HG12 VAL 3 HG12 VAL 3 177.646 -0.035 -13.837 610 HG13 VAL 3 HG13 VAL 3 177.897 -1.685 -14.408 611 HG21 VAL 3 HG21 VAL 3 180.130 0.235 -12.286 612 HG22 VAL 3 HG22 VAL 3 179.779 -0.593 -10.770 613 HG23 VAL 3 HG23 VAL 3 178.629 0.574 -11.423 614 HA PRO 4 HA PRO 4 177.209 -3.857 -8.045 615 HB2 PRO 4 HB2 PRO 4 177.759 -6.457 -9.344 616 HB3 PRO 4 HB1 PRO 4 176.506 -6.027 -8.171 617 HG2 PRO 4 HG2 PRO 4 175.890 -6.479 -10.723 618 HG3 PRO 4 HG1 PRO 4 175.064 -5.225 -9.776 619 HD2 PRO 4 HD2 PRO 4 177.214 -4.926 -11.827 620 HD3 PRO 4 HD1 PRO 4 175.779 -3.919 -11.537 621 H VAL 5 HN VAL 5 178.883 -4.456 -6.683 622 HA VAL 5 HA VAL 5 181.549 -4.249 -7.832 623 HB VAL 5 HB VAL 5 180.701 -4.388 -4.933 624 HG11 VAL 5 HG11 VAL 5 182.954 -3.592 -4.437 625 HG12 VAL 5 HG12 VAL 5 183.360 -3.642 -6.152 626 HG13 VAL 5 HG13 VAL 5 183.004 -5.138 -5.286 627 HG21 VAL 5 HG21 VAL 5 181.115 -1.978 -4.901 628 HG22 VAL 5 HG22 VAL 5 179.844 -2.396 -6.051 629 HG23 VAL 5 HG23 VAL 5 181.465 -2.014 -6.629 630 H THR 6 HN THR 6 182.822 -5.939 -8.208 631 HA THR 6 HA THR 6 181.968 -8.583 -7.342 632 HB THR 6 HB THR 6 183.731 -9.432 -8.838 633 HG1 THR 6 HG1 THR 6 185.223 -8.131 -9.616 634 HG21 THR 6 HG21 THR 6 181.984 -7.322 -10.113 635 HG22 THR 6 HG22 THR 6 181.509 -8.983 -9.757 636 HG23 THR 6 HG23 THR 6 182.762 -8.661 -10.956 637 H LYS 7 HN LYS 7 184.743 -6.416 -7.003 638 HA LYS 7 HA LYS 7 185.598 -7.995 -4.677 639 HB2 LYS 7 HB2 LYS 7 187.003 -8.444 -6.749 640 HB3 LYS 7 HB1 LYS 7 187.544 -6.775 -6.635 641 HG2 LYS 7 HG2 LYS 7 188.510 -7.199 -4.461 642 HG3 LYS 7 HG1 LYS 7 187.888 -8.850 -4.479 643 HD2 LYS 7 HD2 LYS 7 189.250 -9.269 -6.524 644 HD3 LYS 7 HD1 LYS 7 189.955 -7.663 -6.329 645 HE2 LYS 7 HE2 LYS 7 190.795 -8.312 -4.118 646 HE3 LYS 7 HE1 LYS 7 190.105 -9.920 -4.333 647 HZ1 LYS 7 HZ1 LYS 7 192.464 -9.889 -4.847 648 HZ2 LYS 7 HZ2 LYS 7 192.218 -8.708 -6.032 649 HZ3 LYS 7 HZ3 LYS 7 191.560 -10.253 -6.230 650 H LEU 8 HN LEU 8 186.060 -6.805 -2.910 651 HA LEU 8 HA LEU 8 186.395 -3.900 -3.251 652 HB2 LEU 8 HB2 LEU 8 184.082 -4.704 -2.460 653 HB3 LEU 8 HB1 LEU 8 184.881 -5.103 -0.952 654 HG LEU 8 HG LEU 8 183.774 -2.944 -0.799 655 HD11 LEU 8 HD11 LEU 8 185.573 -1.669 0.099 656 HD12 LEU 8 HD12 LEU 8 186.750 -2.518 -0.901 657 HD13 LEU 8 HD13 LEU 8 185.924 -3.370 0.401 658 HD21 LEU 8 HD21 LEU 8 183.863 -2.346 -3.171 659 HD22 LEU 8 HD22 LEU 8 185.602 -2.087 -3.036 660 HD23 LEU 8 HD23 LEU 8 184.486 -1.052 -2.147 661 H VAL 9 HN VAL 9 188.392 -3.429 -2.611 662 HA VAL 9 HA VAL 9 189.509 -4.857 -0.291 663 HB VAL 9 HB VAL 9 191.726 -4.159 -1.108 664 HG11 VAL 9 HG11 VAL 9 191.821 -5.644 -3.051 665 HG12 VAL 9 HG12 VAL 9 190.061 -5.604 -3.166 666 HG13 VAL 9 HG13 VAL 9 190.837 -6.331 -1.758 667 HG21 VAL 9 HG21 VAL 9 191.953 -3.197 -3.353 668 HG22 VAL 9 HG22 VAL 9 191.080 -2.117 -2.266 669 HG23 VAL 9 HG23 VAL 9 190.198 -3.061 -3.467 670 H CYS 10 HN CYS 10 191.117 -3.517 0.986 671 HA CYS 10 HA CYS 10 190.381 -0.687 1.130 672 HB2 CYS 10 HB2 CYS 10 188.928 -1.835 2.740 673 HB3 CYS 10 HB1 CYS 10 190.336 -2.572 3.497 674 HG CYS 10 HG CYS 10 189.055 0.491 3.897 675 H ASP 11 HN ASP 11 191.981 0.660 1.927 676 HA ASP 11 HA ASP 11 194.590 -0.629 2.400 677 HB2 ASP 11 HB2 ASP 11 194.022 2.066 1.145 678 HB3 ASP 11 HB1 ASP 11 195.623 1.399 1.448 679 H GLY 12 HN GLY 12 195.195 -0.488 4.452 680 HA2 GLY 12 HA2 GLY 12 194.078 1.533 6.199 681 HA3 GLY 12 HA1 GLY 12 195.151 0.224 6.667 682 H ASP 13 HN ASP 13 197.046 1.024 4.470 683 HA ASP 13 HA ASP 13 198.806 2.563 5.986 684 HB2 ASP 13 HB2 ASP 13 198.717 2.228 2.980 685 HB3 ASP 13 HB1 ASP 13 200.093 2.836 3.896 686 H THR 14 HN THR 14 196.544 3.535 3.441 687 HA THR 14 HA THR 14 197.045 6.347 4.174 688 HB THR 14 HB THR 14 196.267 6.969 1.925 689 HG1 THR 14 HG1 THR 14 196.028 5.246 0.378 690 HG21 THR 14 HG21 THR 14 198.661 6.643 2.304 691 HG22 THR 14 HG22 THR 14 198.211 6.159 0.668 692 HG23 THR 14 HG23 THR 14 198.497 4.932 1.903 693 H TYR 15 HN TYR 15 194.943 4.014 4.841 694 HA TYR 15 HA TYR 15 192.785 3.936 5.547 695 HB2 TYR 15 HB2 TYR 15 192.950 6.956 5.455 696 HB3 TYR 15 HB1 TYR 15 191.755 6.004 6.331 697 HD1 TYR 15 HD1 TYR 15 194.760 7.768 6.633 698 HD2 TYR 15 HD2 TYR 15 192.810 4.258 8.041 699 HE1 TYR 15 HE1 TYR 15 196.231 7.749 8.603 700 HE2 TYR 15 HE2 TYR 15 194.275 4.230 10.016 701 HH TYR 15 HH TYR 15 196.487 5.082 10.679 702 H LYS 16 HN LYS 16 193.531 4.313 2.601 703 HA LYS 16 HA LYS 16 191.016 5.406 1.580 704 HB2 LYS 16 HB2 LYS 16 193.536 4.545 0.148 705 HB3 LYS 16 HB1 LYS 16 192.106 5.189 -0.647 706 HG2 LYS 16 HG2 LYS 16 192.377 7.292 0.578 707 HG3 LYS 16 HG1 LYS 16 193.824 6.643 1.355 708 HD2 LYS 16 HD2 LYS 16 194.913 6.429 -0.811 709 HD3 LYS 16 HD1 LYS 16 193.455 7.012 -1.619 710 HE2 LYS 16 HE2 LYS 16 193.670 9.153 -0.454 711 HE3 LYS 16 HE1 LYS 16 195.122 8.569 0.356 712 HZ1 LYS 16 HZ1 LYS 16 196.200 8.363 -1.794 713 HZ2 LYS 16 HZ2 LYS 16 195.660 9.948 -1.554 714 HZ3 LYS 16 HZ3 LYS 16 194.803 8.909 -2.578 715 H CYS 17 HN CYS 17 189.652 4.219 0.204 716 HA CYS 17 HA CYS 17 190.016 1.297 0.342 717 HB2 CYS 17 HB2 CYS 17 188.195 2.038 1.808 718 HB3 CYS 17 HB1 CYS 17 187.425 2.855 0.453 719 HG CYS 17 HG CYS 17 187.072 0.385 -0.965 720 H THR 18 HN THR 18 189.730 0.135 -1.492 721 HA THR 18 HA THR 18 189.026 1.642 -3.927 722 HB THR 18 HB THR 18 190.861 -0.755 -3.728 723 HG1 THR 18 HG1 THR 18 191.658 1.326 -2.873 724 HG21 THR 18 HG21 THR 18 189.704 -0.619 -5.874 725 HG22 THR 18 HG22 THR 18 191.412 -0.221 -6.064 726 HG23 THR 18 HG23 THR 18 190.203 1.064 -6.050 727 H ALA 19 HN ALA 19 187.841 0.542 -5.556 728 HA ALA 19 HA ALA 19 186.612 -2.004 -4.796 729 HB1 ALA 19 HB1 ALA 19 184.966 0.353 -5.692 730 HB2 ALA 19 HB2 ALA 19 185.145 -0.146 -4.010 731 HB3 ALA 19 HB3 ALA 19 184.381 -1.228 -5.175 732 H TYR 20 HN TYR 20 186.237 -3.348 -6.478 733 HA TYR 20 HA TYR 20 187.084 -2.425 -9.116 734 HB2 TYR 20 HB2 TYR 20 186.561 -5.204 -8.044 735 HB3 TYR 20 HB1 TYR 20 187.090 -4.852 -9.686 736 HD1 TYR 20 HD1 TYR 20 189.369 -4.657 -10.173 737 HD2 TYR 20 HD2 TYR 20 188.081 -4.436 -6.123 738 HE1 TYR 20 HE1 TYR 20 191.713 -4.701 -9.431 739 HE2 TYR 20 HE2 TYR 20 190.423 -4.479 -5.371 740 HH TYR 20 HH TYR 20 193.039 -4.014 -7.475 741 H LEU 21 HN LEU 21 185.584 -1.698 -10.457 742 HA LEU 21 HA LEU 21 182.803 -2.421 -10.120 743 HB2 LEU 21 HB2 LEU 21 184.107 -0.648 -12.187 744 HB3 LEU 21 HB1 LEU 21 182.385 -0.791 -11.895 745 HG LEU 21 HG LEU 21 184.427 0.349 -9.989 746 HD11 LEU 21 HD11 LEU 21 183.907 1.827 -11.850 747 HD12 LEU 21 HD12 LEU 21 183.216 2.445 -10.350 748 HD13 LEU 21 HD13 LEU 21 182.182 1.641 -11.532 749 HD21 LEU 21 HD21 LEU 21 182.694 -0.840 -8.770 750 HD22 LEU 21 HD22 LEU 21 181.447 0.017 -9.677 751 HD23 LEU 21 HD23 LEU 21 182.502 0.902 -8.575 752 H ASP 22 HN ASP 22 181.486 -3.327 -11.762 753 HA ASP 22 HA ASP 22 182.944 -5.199 -13.482 754 HB2 ASP 22 HB2 ASP 22 181.251 -6.106 -11.907 755 HB3 ASP 22 HB1 ASP 22 180.012 -5.166 -12.731 756 H TYR 23 HN TYR 23 182.545 -2.323 -14.087 757 HA TYR 23 HA TYR 23 180.566 -1.876 -15.992 758 HB2 TYR 23 HB2 TYR 23 181.943 -0.089 -15.011 759 HB3 TYR 23 HB1 TYR 23 183.349 -0.693 -15.884 760 HD1 TYR 23 HD1 TYR 23 180.133 1.053 -16.200 761 HD2 TYR 23 HD2 TYR 23 183.623 -0.268 -18.242 762 HE1 TYR 23 HE1 TYR 23 179.552 2.489 -18.108 763 HE2 TYR 23 HE2 TYR 23 183.052 1.165 -20.157 764 HH TYR 23 HH TYR 23 181.070 2.228 -21.136 765 H GLY 24 HN GLY 24 184.011 -2.429 -16.746 766 HA2 GLY 24 HA2 GLY 24 183.125 -3.915 -19.143 767 HA3 GLY 24 HA1 GLY 24 184.441 -2.752 -19.204 768 H ASP 25 HN ASP 25 186.369 -3.670 -19.267 769 HA ASP 25 HA ASP 25 186.844 -6.390 -18.780 770 HB2 ASP 25 HB2 ASP 25 188.273 -5.004 -20.229 771 HB3 ASP 25 HB1 ASP 25 188.833 -4.109 -18.819 772 H GLY 26 HN GLY 26 186.866 -3.632 -16.668 773 HA2 GLY 26 HA2 GLY 26 186.520 -4.100 -14.293 774 HA3 GLY 26 HA1 GLY 26 187.680 -5.410 -14.455 775 H LYS 27 HN LYS 27 188.213 -2.325 -15.987 776 HA LYS 27 HA LYS 27 190.607 -1.964 -14.377 777 HB2 LYS 27 HB2 LYS 27 189.578 -0.401 -16.751 778 HB3 LYS 27 HB1 LYS 27 191.141 -0.169 -15.981 779 HG2 LYS 27 HG2 LYS 27 190.218 -2.667 -17.385 780 HG3 LYS 27 HG1 LYS 27 191.349 -1.472 -18.020 781 HD2 LYS 27 HD2 LYS 27 192.893 -1.960 -16.181 782 HD3 LYS 27 HD1 LYS 27 191.759 -3.158 -15.551 783 HE2 LYS 27 HE2 LYS 27 191.973 -4.443 -17.624 784 HE3 LYS 27 HE1 LYS 27 193.106 -3.246 -18.250 785 HZ1 LYS 27 HZ1 LYS 27 193.526 -4.928 -15.836 786 HZ2 LYS 27 HZ2 LYS 27 194.615 -3.784 -16.441 787 HZ3 LYS 27 HZ3 LYS 27 194.255 -5.167 -17.345 788 H TRP 28 HN TRP 28 187.546 -0.340 -15.026 789 HA TRP 28 HA TRP 28 188.070 2.022 -13.581 790 HB2 TRP 28 HB2 TRP 28 185.389 0.691 -14.021 791 HB3 TRP 28 HB1 TRP 28 185.668 2.387 -13.634 792 HD1 TRP 28 HD1 TRP 28 186.088 -0.120 -16.523 793 HE1 TRP 28 HE1 TRP 28 186.232 1.202 -18.726 794 HE3 TRP 28 HE3 TRP 28 186.219 4.624 -14.619 795 HZ2 TRP 28 HZ2 TRP 28 186.380 3.897 -19.549 796 HZ3 TRP 28 HZ3 TRP 28 186.361 6.518 -16.183 797 HH2 TRP 28 HH2 TRP 28 186.441 6.160 -18.597 798 H VAL 29 HN VAL 29 188.230 2.376 -11.458 799 HA VAL 29 HA VAL 29 186.874 0.540 -9.614 800 HB VAL 29 HB VAL 29 188.802 0.404 -8.157 801 HG11 VAL 29 HG11 VAL 29 188.577 -1.300 -9.878 802 HG12 VAL 29 HG12 VAL 29 190.278 -0.965 -9.551 803 HG13 VAL 29 HG13 VAL 29 189.512 -0.310 -10.999 804 HG21 VAL 29 HG21 VAL 29 191.004 1.269 -8.881 805 HG22 VAL 29 HG22 VAL 29 189.829 2.549 -8.580 806 HG23 VAL 29 HG23 VAL 29 190.214 2.075 -10.236 807 H ALA 30 HN ALA 30 186.150 1.436 -7.715 808 HA ALA 30 HA ALA 30 186.044 4.344 -7.663 809 HB1 ALA 30 HB1 ALA 30 184.360 4.040 -5.907 810 HB2 ALA 30 HB2 ALA 30 184.650 2.301 -5.934 811 HB3 ALA 30 HB3 ALA 30 183.969 3.103 -7.349 812 H GLN 31 HN GLN 31 187.132 5.607 -6.266 813 HA GLN 31 HA GLN 31 188.531 4.304 -4.028 814 HB2 GLN 31 HB2 GLN 31 189.984 4.879 -6.067 815 HB3 GLN 31 HB1 GLN 31 189.739 6.561 -5.614 816 HG2 GLN 31 HG2 GLN 31 190.699 6.051 -3.391 817 HG3 GLN 31 HG1 GLN 31 191.039 4.415 -3.956 818 HE21 GLN 31 HE21 GLN 31 193.248 4.656 -3.684 819 HE22 GLN 31 HE22 GLN 31 194.209 5.635 -4.734 820 H TRP 32 HN TRP 32 188.443 5.335 -2.112 821 HA TRP 32 HA TRP 32 187.872 8.148 -1.912 822 HB2 TRP 32 HB2 TRP 32 185.788 7.916 -0.649 823 HB3 TRP 32 HB1 TRP 32 185.612 7.248 -2.268 824 HD1 TRP 32 HD1 TRP 32 185.350 6.329 1.366 825 HE1 TRP 32 HE1 TRP 32 184.627 3.868 1.585 826 HE3 TRP 32 HE3 TRP 32 185.911 4.880 -3.505 827 HZ2 TRP 32 HZ2 TRP 32 184.335 1.612 -0.085 828 HZ3 TRP 32 HZ3 TRP 32 185.389 2.553 -4.110 829 HH2 TRP 32 HH2 TRP 32 184.618 0.954 -2.433 830 H ASP 33 HN ASP 33 188.272 8.987 0.151 831 HA ASP 33 HA ASP 33 190.036 7.390 1.757 832 HB2 ASP 33 HB2 ASP 33 188.990 10.197 2.186 833 HB3 ASP 33 HB1 ASP 33 190.279 9.439 3.116 834 H THR 34 HN THR 34 189.809 7.145 4.091 835 HA THR 34 HA THR 34 187.145 7.342 5.215 836 HB THR 34 HB THR 34 187.040 4.960 5.865 837 HG1 THR 34 HG1 THR 34 188.680 3.684 5.471 838 HG21 THR 34 HG21 THR 34 187.256 5.379 2.881 839 HG22 THR 34 HG22 THR 34 185.840 5.740 3.868 840 HG23 THR 34 HG23 THR 34 186.387 4.073 3.688 841 H ALA 35 HN ALA 35 187.263 6.099 7.491 842 HA ALA 35 HA ALA 35 189.797 6.915 8.757 843 HB1 ALA 35 HB1 ALA 35 187.990 8.459 9.323 844 HB2 ALA 35 HB2 ALA 35 188.524 7.555 10.739 845 HB3 ALA 35 HB3 ALA 35 187.024 7.113 9.926 846 H VAL 36 HN VAL 36 190.870 5.145 9.342 847 HA VAL 36 HA VAL 36 189.355 2.816 10.301 848 HB VAL 36 HB VAL 36 192.239 2.914 9.406 849 HG11 VAL 36 HG11 VAL 36 192.045 0.469 9.341 850 HG12 VAL 36 HG12 VAL 36 190.404 0.587 9.974 851 HG13 VAL 36 HG13 VAL 36 191.769 1.104 10.963 852 HG21 VAL 36 HG21 VAL 36 191.458 1.816 7.358 853 HG22 VAL 36 HG22 VAL 36 190.753 3.421 7.546 854 HG23 VAL 36 HG23 VAL 36 189.791 1.988 7.905 855 H PHE 37 HN PHE 37 189.864 1.822 12.242 856 HA PHE 37 HA PHE 37 192.010 2.800 13.896 857 HB2 PHE 37 HB2 PHE 37 190.546 3.522 15.755 858 HB3 PHE 37 HB1 PHE 37 190.358 4.532 14.326 859 HD1 PHE 37 HD1 PHE 37 188.783 1.998 16.447 860 HD2 PHE 37 HD2 PHE 37 188.306 4.551 13.076 861 HE1 PHE 37 HE1 PHE 37 186.356 1.592 16.487 862 HE2 PHE 37 HE2 PHE 37 185.879 4.150 13.111 863 HZ PHE 37 HZ PHE 37 184.901 2.670 14.818 864 H HIS 38 HN HIS 38 192.427 1.478 15.693 865 HA HIS 38 HA HIS 38 191.489 -1.224 15.400 866 HB2 HIS 38 HB2 HIS 38 193.836 -0.751 15.954 867 HB3 HIS 38 HB1 HIS 38 193.332 -0.005 17.467 868 HD1 HIS 38 HD1 HIS 38 192.946 -1.529 19.436 869 HD2 HIS 38 HD2 HIS 38 193.462 -3.601 15.872 870 HE1 HIS 38 HE1 HIS 38 193.144 -3.950 20.090 871 HE2 HIS 38 HE2 HIS 38 193.455 -5.187 17.916 872 H THR 39 HN THR 39 189.972 -2.253 16.552 873 HA THR 39 HA THR 39 188.526 -0.723 18.578 874 HB THR 39 HB THR 39 186.787 -2.455 18.378 875 HG1 THR 39 HG1 THR 39 188.445 -3.567 16.342 876 HG21 THR 39 HG21 THR 39 186.706 -0.521 16.885 877 HG22 THR 39 HG22 THR 39 186.095 -1.964 16.077 878 HG23 THR 39 HG23 THR 39 187.717 -1.372 15.715 879 H THR 40 HN THR 40 187.580 -2.140 20.403 880 HA THR 40 HA THR 40 189.400 -4.214 21.328 881 HB THR 40 HB THR 40 189.733 -3.155 23.526 882 HG1 THR 40 HG1 THR 40 189.234 -0.850 23.631 883 HG21 THR 40 HG21 THR 40 191.353 -1.450 22.827 884 HG22 THR 40 HG22 THR 40 190.645 -1.440 21.212 885 HG23 THR 40 HG23 THR 40 191.455 -2.888 21.811 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 171.510 0.040 16.900 2 H2 ALA 1 HT2 ALA 1 171.309 0.706 15.359 3 H3 ALA 1 HT3 ALA 1 172.847 0.242 15.884 4 HA ALA 1 HA ALA 1 172.182 -2.062 15.944 5 HB1 ALA 1 HB1 ALA 1 170.009 -2.743 15.091 6 HB2 ALA 1 HB2 ALA 1 169.559 -1.055 14.852 7 HB3 ALA 1 HB3 ALA 1 169.826 -1.675 16.482 8 HA PRO 2 HA PRO 2 173.828 -1.114 11.787 9 HB2 PRO 2 HB2 PRO 2 175.682 -3.096 11.803 10 HB3 PRO 2 HB1 PRO 2 175.948 -1.530 12.584 11 HG2 PRO 2 HG2 PRO 2 175.139 -4.125 13.814 12 HG3 PRO 2 HG1 PRO 2 176.299 -2.916 14.399 13 HD2 PRO 2 HD2 PRO 2 173.782 -3.103 15.372 14 HD3 PRO 2 HD1 PRO 2 174.661 -1.564 15.270 15 H VAL 3 HN VAL 3 173.742 -2.255 9.803 16 HA VAL 3 HA VAL 3 172.481 -4.898 9.859 17 HB VAL 3 HB VAL 3 170.881 -4.235 8.102 18 HG11 VAL 3 HG11 VAL 3 170.162 -4.276 10.425 19 HG12 VAL 3 HG12 VAL 3 169.353 -2.977 9.548 20 HG13 VAL 3 HG13 VAL 3 170.693 -2.608 10.635 21 HG21 VAL 3 HG21 VAL 3 171.933 -1.461 8.642 22 HG22 VAL 3 HG22 VAL 3 170.467 -1.816 7.729 23 HG23 VAL 3 HG23 VAL 3 172.032 -2.359 7.127 24 HA PRO 4 HA PRO 4 175.720 -5.648 6.871 25 HB2 PRO 4 HB2 PRO 4 173.962 -7.910 6.091 26 HB3 PRO 4 HB1 PRO 4 175.661 -7.921 6.585 27 HG2 PRO 4 HG2 PRO 4 173.771 -8.802 8.232 28 HG3 PRO 4 HG1 PRO 4 175.167 -7.886 8.835 29 HD2 PRO 4 HD2 PRO 4 172.355 -6.981 8.418 30 HD3 PRO 4 HD1 PRO 4 173.501 -6.560 9.707 31 H VAL 5 HN VAL 5 176.011 -5.587 4.610 32 HA VAL 5 HA VAL 5 173.775 -4.363 3.179 33 HB VAL 5 HB VAL 5 176.666 -4.605 2.329 34 HG11 VAL 5 HG11 VAL 5 176.094 -2.860 0.709 35 HG12 VAL 5 HG12 VAL 5 174.414 -2.915 1.244 36 HG13 VAL 5 HG13 VAL 5 175.136 -4.319 0.456 37 HG21 VAL 5 HG21 VAL 5 176.870 -2.256 2.982 38 HG22 VAL 5 HG22 VAL 5 176.451 -3.272 4.362 39 HG23 VAL 5 HG23 VAL 5 175.215 -2.279 3.589 40 H THR 6 HN THR 6 172.922 -5.164 1.294 41 HA THR 6 HA THR 6 173.694 -7.925 0.614 42 HB THR 6 HB THR 6 171.423 -8.190 -0.305 43 HG1 THR 6 HG1 THR 6 170.948 -5.599 0.789 44 HG21 THR 6 HG21 THR 6 171.840 -8.822 2.018 45 HG22 THR 6 HG22 THR 6 170.206 -8.185 1.828 46 HG23 THR 6 HG23 THR 6 171.466 -7.179 2.542 47 H LYS 7 HN LYS 7 172.270 -5.041 -0.934 48 HA LYS 7 HA LYS 7 173.687 -5.777 -3.407 49 HB2 LYS 7 HB2 LYS 7 171.248 -5.719 -3.632 50 HB3 LYS 7 HB1 LYS 7 171.222 -4.065 -3.035 51 HG2 LYS 7 HG2 LYS 7 172.484 -3.330 -4.987 52 HG3 LYS 7 HG1 LYS 7 172.535 -4.990 -5.583 53 HD2 LYS 7 HD2 LYS 7 170.100 -5.020 -5.738 54 HD3 LYS 7 HD1 LYS 7 170.031 -3.372 -5.107 55 HE2 LYS 7 HE2 LYS 7 169.794 -3.403 -7.537 56 HE3 LYS 7 HE1 LYS 7 171.267 -2.568 -7.048 57 HZ1 LYS 7 HZ1 LYS 7 172.524 -4.573 -7.553 58 HZ2 LYS 7 HZ2 LYS 7 171.675 -4.036 -8.914 59 HZ3 LYS 7 HZ3 LYS 7 171.108 -5.365 -8.035 60 H LEU 8 HN LEU 8 175.377 -4.569 -3.936 61 HA LEU 8 HA LEU 8 175.422 -1.749 -3.090 62 HB2 LEU 8 HB2 LEU 8 176.928 -3.396 -1.783 63 HB3 LEU 8 HB1 LEU 8 177.908 -3.428 -3.236 64 HG LEU 8 HG LEU 8 178.850 -1.864 -1.660 65 HD11 LEU 8 HD11 LEU 8 178.998 0.094 -3.035 66 HD12 LEU 8 HD12 LEU 8 177.495 -0.317 -3.860 67 HD13 LEU 8 HD13 LEU 8 178.924 -1.324 -4.080 68 HD21 LEU 8 HD21 LEU 8 176.848 -1.370 -0.371 69 HD22 LEU 8 HD22 LEU 8 176.170 -0.484 -1.738 70 HD23 LEU 8 HD23 LEU 8 177.614 0.118 -0.925 71 H VAL 9 HN VAL 9 175.200 -0.624 -4.917 72 HA VAL 9 HA VAL 9 176.910 -1.355 -7.203 73 HB VAL 9 HB VAL 9 175.163 -0.505 -8.721 74 HG11 VAL 9 HG11 VAL 9 173.621 -2.405 -8.504 75 HG12 VAL 9 HG12 VAL 9 174.253 -2.720 -6.887 76 HG13 VAL 9 HG13 VAL 9 175.304 -2.892 -8.293 77 HG21 VAL 9 HG21 VAL 9 172.888 -0.140 -7.880 78 HG22 VAL 9 HG22 VAL 9 174.031 1.012 -7.190 79 HG23 VAL 9 HG23 VAL 9 173.468 -0.356 -6.229 80 H CYS 10 HN CYS 10 177.956 0.289 -8.245 81 HA CYS 10 HA CYS 10 177.757 2.936 -6.979 82 HB2 CYS 10 HB2 CYS 10 179.959 1.869 -6.807 83 HB3 CYS 10 HB1 CYS 10 180.030 1.715 -8.559 84 HG CYS 10 HG CYS 10 181.240 4.081 -6.802 85 H ASP 11 HN ASP 11 177.563 4.790 -8.210 86 HA ASP 11 HA ASP 11 176.719 4.345 -10.991 87 HB2 ASP 11 HB2 ASP 11 176.088 6.644 -9.126 88 HB3 ASP 11 HB1 ASP 11 175.500 6.479 -10.777 89 H GLY 12 HN GLY 12 178.118 4.914 -12.511 90 HA2 GLY 12 HA2 GLY 12 180.372 6.614 -11.887 91 HA3 GLY 12 HA1 GLY 12 180.069 5.798 -13.413 92 H ASP 13 HN ASP 13 177.252 7.052 -13.263 93 HA ASP 13 HA ASP 13 177.687 9.147 -15.041 94 HB2 ASP 13 HB2 ASP 13 175.314 8.698 -13.217 95 HB3 ASP 13 HB1 ASP 13 175.334 9.767 -14.617 96 H THR 14 HN THR 14 177.501 9.142 -11.540 97 HA THR 14 HA THR 14 178.434 11.921 -11.543 98 HB THR 14 HB THR 14 176.959 12.488 -9.654 99 HG1 THR 14 HG1 THR 14 175.858 9.909 -10.177 100 HG21 THR 14 HG21 THR 14 176.255 13.064 -11.922 101 HG22 THR 14 HG22 THR 14 174.862 12.654 -10.921 102 HG23 THR 14 HG23 THR 14 175.479 11.489 -12.092 103 H TYR 15 HN TYR 15 179.386 9.024 -10.894 104 HA TYR 15 HA TYR 15 180.856 8.048 -9.464 105 HB2 TYR 15 HB2 TYR 15 181.300 10.859 -8.441 106 HB3 TYR 15 HB1 TYR 15 182.388 9.489 -8.244 107 HD1 TYR 15 HD1 TYR 15 183.289 8.413 -10.431 108 HD2 TYR 15 HD2 TYR 15 181.578 12.304 -10.240 109 HE1 TYR 15 HE1 TYR 15 184.423 9.008 -12.531 110 HE2 TYR 15 HE2 TYR 15 182.706 12.908 -12.341 111 HH TYR 15 HH TYR 15 184.661 12.201 -13.651 112 H LYS 16 HN LYS 16 177.994 8.726 -8.621 113 HA LYS 16 HA LYS 16 178.245 8.835 -5.726 114 HB2 LYS 16 HB2 LYS 16 175.832 8.714 -7.541 115 HB3 LYS 16 HB1 LYS 16 175.740 8.775 -5.786 116 HG2 LYS 16 HG2 LYS 16 176.888 10.942 -5.813 117 HG3 LYS 16 HG1 LYS 16 176.935 10.881 -7.576 118 HD2 LYS 16 HD2 LYS 16 174.502 10.862 -7.658 119 HD3 LYS 16 HD1 LYS 16 174.428 10.853 -5.895 120 HE2 LYS 16 HE2 LYS 16 175.605 13.041 -7.605 121 HE3 LYS 16 HE1 LYS 16 174.037 13.092 -6.801 122 HZ1 LYS 16 HZ1 LYS 16 176.676 12.892 -5.451 123 HZ2 LYS 16 HZ2 LYS 16 175.175 12.919 -4.671 124 HZ3 LYS 16 HZ3 LYS 16 175.705 14.275 -5.531 125 H CYS 17 HN CYS 17 178.482 7.071 -4.540 126 HA CYS 17 HA CYS 17 177.883 4.463 -5.704 127 HB2 CYS 17 HB2 CYS 17 180.076 4.782 -4.650 128 HB3 CYS 17 HB1 CYS 17 179.293 5.193 -3.127 129 HG CYS 17 HG CYS 17 177.989 2.394 -3.677 130 H THR 18 HN THR 18 175.892 3.713 -5.430 131 HA THR 18 HA THR 18 174.352 4.471 -3.068 132 HB THR 18 HB THR 18 173.470 2.889 -5.493 133 HG1 THR 18 HG1 THR 18 172.787 4.797 -6.313 134 HG21 THR 18 HG21 THR 18 172.090 2.469 -3.518 135 HG22 THR 18 HG22 THR 18 171.202 3.411 -4.715 136 HG23 THR 18 HG23 THR 18 171.873 4.204 -3.290 137 H ALA 19 HN ALA 19 173.365 2.947 -1.695 138 HA ALA 19 HA ALA 19 174.262 0.169 -1.917 139 HB1 ALA 19 HB1 ALA 19 174.997 0.101 0.398 140 HB2 ALA 19 HB2 ALA 19 174.621 1.813 0.586 141 HB3 ALA 19 HB3 ALA 19 175.913 1.309 -0.503 142 H TYR 20 HN TYR 20 172.935 -1.336 -0.882 143 HA TYR 20 HA TYR 20 170.359 -0.261 0.063 144 HB2 TYR 20 HB2 TYR 20 170.928 -2.855 -1.387 145 HB3 TYR 20 HB1 TYR 20 169.356 -2.384 -0.749 146 HD1 TYR 20 HD1 TYR 20 171.920 -1.590 -3.281 147 HD2 TYR 20 HD2 TYR 20 167.959 -0.848 -1.922 148 HE1 TYR 20 HE1 TYR 20 171.422 -0.430 -5.390 149 HE2 TYR 20 HE2 TYR 20 167.448 0.314 -4.027 150 HH TYR 20 HH TYR 20 168.653 1.480 -5.827 151 H LEU 21 HN LEU 21 169.987 -0.564 2.145 152 HA LEU 21 HA LEU 21 171.596 -2.377 3.700 153 HB2 LEU 21 HB2 LEU 21 169.257 -0.649 4.511 154 HB3 LEU 21 HB1 LEU 21 170.314 -1.509 5.614 155 HG LEU 21 HG LEU 21 171.129 0.753 3.788 156 HD11 LEU 21 HD11 LEU 21 170.823 0.621 6.784 157 HD12 LEU 21 HD12 LEU 21 169.770 1.489 5.668 158 HD13 LEU 21 HD13 LEU 21 171.448 1.994 5.871 159 HD21 LEU 21 HD21 LEU 21 173.282 0.633 4.945 160 HD22 LEU 21 HD22 LEU 21 172.933 -0.858 4.070 161 HD23 LEU 21 HD23 LEU 21 172.731 -0.796 5.821 162 H ASP 22 HN ASP 22 170.621 -3.916 5.236 163 HA ASP 22 HA ASP 22 168.500 -5.440 3.914 164 HB2 ASP 22 HB2 ASP 22 170.625 -6.594 4.467 165 HB3 ASP 22 HB1 ASP 22 170.344 -6.258 6.172 166 H TYR 23 HN TYR 23 168.168 -2.989 5.671 167 HA TYR 23 HA TYR 23 166.807 -3.994 8.014 168 HB2 TYR 23 HB2 TYR 23 168.060 -1.891 8.135 169 HB3 TYR 23 HB1 TYR 23 167.023 -1.190 6.898 170 HD1 TYR 23 HD1 TYR 23 164.739 -0.523 7.421 171 HD2 TYR 23 HD2 TYR 23 167.278 -2.169 10.411 172 HE1 TYR 23 HE1 TYR 23 163.198 0.277 9.161 173 HE2 TYR 23 HE2 TYR 23 165.743 -1.374 12.160 174 HH TYR 23 HH TYR 23 162.612 -0.252 11.488 175 H GLY 24 HN GLY 24 164.603 -3.949 8.401 176 HA2 GLY 24 HA2 GLY 24 162.372 -4.099 7.885 177 HA3 GLY 24 HA1 GLY 24 162.661 -2.788 6.749 178 H ASP 25 HN ASP 25 162.031 -3.264 4.762 179 HA ASP 25 HA ASP 25 162.021 -6.071 3.912 180 HB2 ASP 25 HB2 ASP 25 160.478 -5.343 2.145 181 HB3 ASP 25 HB1 ASP 25 159.883 -4.881 3.737 182 H GLY 26 HN GLY 26 163.329 -2.918 3.133 183 HA2 GLY 26 HA2 GLY 26 165.640 -3.226 2.098 184 HA3 GLY 26 HA1 GLY 26 164.771 -4.107 0.850 185 H LYS 27 HN LYS 27 164.347 -0.997 2.550 186 HA LYS 27 HA LYS 27 164.020 0.269 -0.093 187 HB2 LYS 27 HB2 LYS 27 162.718 1.023 2.531 188 HB3 LYS 27 HB1 LYS 27 162.565 1.931 1.033 189 HG2 LYS 27 HG2 LYS 27 161.490 0.005 -0.024 190 HG3 LYS 27 HG1 LYS 27 161.637 -0.898 1.485 191 HD2 LYS 27 HD2 LYS 27 160.223 0.737 2.614 192 HD3 LYS 27 HD1 LYS 27 160.101 1.674 1.124 193 HE2 LYS 27 HE2 LYS 27 159.012 -0.230 0.028 194 HE3 LYS 27 HE1 LYS 27 159.125 -1.152 1.527 195 HZ1 LYS 27 HZ1 LYS 27 156.934 -0.177 1.254 196 HZ2 LYS 27 HZ2 LYS 27 157.604 1.373 1.162 197 HZ3 LYS 27 HZ3 LYS 27 157.712 0.491 2.600 198 H TRP 28 HN TRP 28 165.227 0.674 3.206 199 HA TRP 28 HA TRP 28 166.358 3.216 2.915 200 HB2 TRP 28 HB2 TRP 28 167.297 0.924 4.654 201 HB3 TRP 28 HB1 TRP 28 167.767 2.611 4.845 202 HD1 TRP 28 HD1 TRP 28 164.759 0.273 5.316 203 HE1 TRP 28 HE1 TRP 28 163.080 1.415 6.897 204 HE3 TRP 28 HE3 TRP 28 166.990 4.859 5.698 205 HZ2 TRP 28 HZ2 TRP 28 162.744 3.927 8.142 206 HZ3 TRP 28 HZ3 TRP 28 165.926 6.575 7.104 207 HH2 TRP 28 HH2 TRP 28 163.846 6.118 8.299 208 H VAL 29 HN VAL 29 168.075 3.942 1.832 209 HA VAL 29 HA VAL 29 170.182 2.045 1.071 210 HB VAL 29 HB VAL 29 170.316 3.035 -1.179 211 HG11 VAL 29 HG11 VAL 29 168.298 1.976 -2.105 212 HG12 VAL 29 HG12 VAL 29 167.615 1.886 -0.481 213 HG13 VAL 29 HG13 VAL 29 169.072 0.974 -0.878 214 HG21 VAL 29 HG21 VAL 29 168.474 4.423 -2.017 215 HG22 VAL 29 HG22 VAL 29 169.342 5.213 -0.702 216 HG23 VAL 29 HG23 VAL 29 167.775 4.463 -0.398 217 H ALA 30 HN ALA 30 172.230 2.855 1.072 218 HA ALA 30 HA ALA 30 172.540 5.572 2.122 219 HB1 ALA 30 HB1 ALA 30 174.546 3.322 1.995 220 HB2 ALA 30 HB2 ALA 30 173.565 3.744 3.398 221 HB3 ALA 30 HB3 ALA 30 174.774 4.877 2.794 222 H GLN 31 HN GLN 31 174.222 6.958 1.284 223 HA GLN 31 HA GLN 31 175.300 6.314 -1.337 224 HB2 GLN 31 HB2 GLN 31 173.445 8.659 -0.883 225 HB3 GLN 31 HB1 GLN 31 174.432 8.432 -2.321 226 HG2 GLN 31 HG2 GLN 31 173.242 6.414 -2.876 227 HG3 GLN 31 HG1 GLN 31 172.320 6.508 -1.377 228 HE21 GLN 31 HE21 GLN 31 173.098 9.278 -3.386 229 HE22 GLN 31 HE22 GLN 31 171.481 9.594 -3.899 230 H TRP 32 HN TRP 32 177.145 7.435 -1.844 231 HA TRP 32 HA TRP 32 177.967 9.759 -0.366 232 HB2 TRP 32 HB2 TRP 32 179.997 8.738 0.599 233 HB3 TRP 32 HB1 TRP 32 178.528 8.037 1.270 234 HD1 TRP 32 HD1 TRP 32 181.613 7.151 -0.741 235 HE1 TRP 32 HE1 TRP 32 181.687 4.604 -1.097 236 HE3 TRP 32 HE3 TRP 32 176.949 5.953 0.979 237 HZ2 TRP 32 HZ2 TRP 32 179.994 2.381 -0.703 238 HZ3 TRP 32 HZ3 TRP 32 176.254 3.594 0.954 239 HH2 TRP 32 HH2 TRP 32 177.746 1.846 0.130 240 H ASP 33 HN ASP 33 179.181 10.986 -1.652 241 HA ASP 33 HA ASP 33 179.796 10.277 -4.281 242 HB2 ASP 33 HB2 ASP 33 181.015 12.464 -2.581 243 HB3 ASP 33 HB1 ASP 33 181.139 12.353 -4.334 244 H THR 34 HN THR 34 181.753 9.819 -5.330 245 HA THR 34 HA THR 34 184.098 9.214 -3.717 246 HB THR 34 HB THR 34 184.337 6.940 -4.600 247 HG1 THR 34 HG1 THR 34 183.057 6.245 -6.136 248 HG21 THR 34 HG21 THR 34 183.254 7.240 -2.427 249 HG22 THR 34 HG22 THR 34 182.572 5.860 -3.287 250 HG23 THR 34 HG23 THR 34 181.687 7.384 -3.221 251 H ALA 35 HN ALA 35 185.771 8.091 -5.375 252 HA ALA 35 HA ALA 35 185.748 9.769 -7.798 253 HB1 ALA 35 HB1 ALA 35 188.143 8.888 -6.190 254 HB2 ALA 35 HB2 ALA 35 187.435 10.503 -6.187 255 HB3 ALA 35 HB3 ALA 35 188.181 9.869 -7.655 256 H VAL 36 HN VAL 36 185.644 8.670 -9.633 257 HA VAL 36 HA VAL 36 186.757 5.942 -9.711 258 HB VAL 36 HB VAL 36 184.313 6.884 -11.216 259 HG11 VAL 36 HG11 VAL 36 185.541 4.145 -10.913 260 HG12 VAL 36 HG12 VAL 36 185.550 5.137 -12.371 261 HG13 VAL 36 HG13 VAL 36 184.027 4.505 -11.744 262 HG21 VAL 36 HG21 VAL 36 183.034 5.446 -9.694 263 HG22 VAL 36 HG22 VAL 36 183.838 6.758 -8.834 264 HG23 VAL 36 HG23 VAL 36 184.504 5.126 -8.772 265 H PHE 37 HN PHE 37 188.198 5.564 -11.274 266 HA PHE 37 HA PHE 37 188.197 7.232 -13.675 267 HB2 PHE 37 HB2 PHE 37 190.628 7.604 -13.504 268 HB3 PHE 37 HB1 PHE 37 189.758 8.339 -12.163 269 HD1 PHE 37 HD1 PHE 37 192.105 5.736 -13.162 270 HD2 PHE 37 HD2 PHE 37 189.950 7.445 -9.914 271 HE1 PHE 37 HE1 PHE 37 193.552 4.535 -11.575 272 HE2 PHE 37 HE2 PHE 37 191.394 6.248 -8.321 273 HZ PHE 37 HZ PHE 37 193.198 4.792 -9.152 274 H HIS 38 HN HIS 38 189.596 6.354 -15.391 275 HA HIS 38 HA HIS 38 189.456 3.441 -15.388 276 HB2 HIS 38 HB2 HIS 38 188.482 4.652 -17.289 277 HB3 HIS 38 HB1 HIS 38 190.046 5.381 -17.635 278 HD1 HIS 38 HD1 HIS 38 191.683 4.026 -19.004 279 HD2 HIS 38 HD2 HIS 38 188.332 1.850 -17.866 280 HE1 HIS 38 HE1 HIS 38 191.809 1.874 -20.297 281 HE2 HIS 38 HE2 HIS 38 189.770 0.570 -19.593 282 H THR 39 HN THR 39 191.200 2.096 -15.762 283 HA THR 39 HA THR 39 193.829 3.325 -15.296 284 HB THR 39 HB THR 39 194.574 1.084 -14.597 285 HG1 THR 39 HG1 THR 39 191.843 0.319 -14.879 286 HG21 THR 39 HG21 THR 39 193.682 2.618 -12.914 287 HG22 THR 39 HG22 THR 39 193.283 0.947 -12.515 288 HG23 THR 39 HG23 THR 39 192.055 2.005 -13.207 289 H THR 40 HN THR 40 195.191 3.468 -16.943 290 HA THR 40 HA THR 40 194.680 1.946 -19.376 291 HB THR 40 HB THR 40 196.381 3.396 -20.412 292 HG1 THR 40 HG1 THR 40 197.662 3.749 -18.520 293 HG21 THR 40 HG21 THR 40 195.152 5.511 -20.248 294 HG22 THR 40 HG22 THR 40 194.315 4.914 -18.815 295 HG23 THR 40 HG23 THR 40 194.052 4.139 -20.378 296 H1 ALA 1 HT1 ALA 1 200.653 -2.807 0.963 297 H2 ALA 1 HT2 ALA 1 199.476 -2.340 2.085 298 H3 ALA 1 HT3 ALA 1 199.175 -2.184 0.428 299 HA ALA 1 HA ALA 1 199.230 -4.564 0.144 300 HB1 ALA 1 HB1 ALA 1 199.382 -6.036 2.075 301 HB2 ALA 1 HB2 ALA 1 199.599 -4.644 3.135 302 HB3 ALA 1 HB3 ALA 1 200.829 -5.037 1.935 303 HA PRO 2 HA PRO 2 194.945 -3.297 1.101 304 HB2 PRO 2 HB2 PRO 2 193.852 -4.460 -1.094 305 HB3 PRO 2 HB1 PRO 2 194.622 -2.867 -1.138 306 HG2 PRO 2 HG2 PRO 2 195.734 -5.512 -1.958 307 HG3 PRO 2 HG1 PRO 2 195.877 -3.934 -2.758 308 HD2 PRO 2 HD2 PRO 2 197.859 -4.976 -1.243 309 HD3 PRO 2 HD1 PRO 2 197.568 -3.230 -1.375 310 H VAL 3 HN VAL 3 193.088 -4.492 1.715 311 HA VAL 3 HA VAL 3 193.369 -7.406 1.799 312 HB VAL 3 HB VAL 3 192.640 -7.465 4.155 313 HG11 VAL 3 HG11 VAL 3 195.008 -7.646 3.627 314 HG12 VAL 3 HG12 VAL 3 194.777 -6.779 5.145 315 HG13 VAL 3 HG13 VAL 3 195.169 -5.890 3.673 316 HG21 VAL 3 HG21 VAL 3 192.998 -4.473 4.004 317 HG22 VAL 3 HG22 VAL 3 192.819 -5.386 5.502 318 HG23 VAL 3 HG23 VAL 3 191.503 -5.351 4.329 319 HA PRO 4 HA PRO 4 189.161 -7.073 0.325 320 HB2 PRO 4 HB2 PRO 4 188.983 -9.858 1.338 321 HB3 PRO 4 HB1 PRO 4 188.639 -9.222 -0.276 322 HG2 PRO 4 HG2 PRO 4 190.837 -10.646 0.174 323 HG3 PRO 4 HG1 PRO 4 190.850 -9.252 -0.927 324 HD2 PRO 4 HD2 PRO 4 191.886 -9.462 1.862 325 HD3 PRO 4 HD1 PRO 4 192.552 -8.585 0.470 326 H VAL 5 HN VAL 5 187.047 -7.026 1.178 327 HA VAL 5 HA VAL 5 186.970 -6.780 4.089 328 HB VAL 5 HB VAL 5 184.870 -5.992 2.064 329 HG11 VAL 5 HG11 VAL 5 183.934 -4.662 3.895 330 HG12 VAL 5 HG12 VAL 5 185.165 -5.300 4.985 331 HG13 VAL 5 HG13 VAL 5 183.958 -6.381 4.288 332 HG21 VAL 5 HG21 VAL 5 185.658 -3.701 2.400 333 HG22 VAL 5 HG22 VAL 5 186.931 -4.726 1.737 334 HG23 VAL 5 HG23 VAL 5 186.946 -4.295 3.447 335 H THR 6 HN THR 6 185.596 -7.934 5.396 336 HA THR 6 HA THR 6 184.285 -10.252 4.138 337 HB THR 6 HB THR 6 184.479 -11.376 6.322 338 HG1 THR 6 HG1 THR 6 185.997 -9.085 7.085 339 HG21 THR 6 HG21 THR 6 186.250 -11.692 4.669 340 HG22 THR 6 HG22 THR 6 186.912 -11.706 6.303 341 HG23 THR 6 HG23 THR 6 187.096 -10.274 5.291 342 H LYS 7 HN LYS 7 183.952 -8.172 7.020 343 HA LYS 7 HA LYS 7 181.031 -8.467 6.785 344 HB2 LYS 7 HB2 LYS 7 181.955 -9.314 8.889 345 HB3 LYS 7 HB1 LYS 7 182.709 -7.756 9.199 346 HG2 LYS 7 HG2 LYS 7 180.510 -6.712 9.351 347 HG3 LYS 7 HG1 LYS 7 179.746 -8.267 9.018 348 HD2 LYS 7 HD2 LYS 7 180.718 -9.192 11.056 349 HD3 LYS 7 HD1 LYS 7 181.519 -7.654 11.383 350 HE2 LYS 7 HE2 LYS 7 179.485 -7.895 12.712 351 HE3 LYS 7 HE1 LYS 7 179.353 -6.555 11.575 352 HZ1 LYS 7 HZ1 LYS 7 178.071 -7.986 10.103 353 HZ2 LYS 7 HZ2 LYS 7 177.332 -7.868 11.619 354 HZ3 LYS 7 HZ3 LYS 7 178.191 -9.263 11.206 355 H LEU 8 HN LEU 8 179.951 -6.753 6.081 356 HA LEU 8 HA LEU 8 181.044 -4.073 6.619 357 HB2 LEU 8 HB2 LEU 8 181.291 -4.984 4.211 358 HB3 LEU 8 HB1 LEU 8 179.560 -4.732 4.092 359 HG LEU 8 HG LEU 8 180.720 -2.851 3.123 360 HD11 LEU 8 HD11 LEU 8 179.700 -1.049 4.329 361 HD12 LEU 8 HD12 LEU 8 179.607 -2.023 5.796 362 HD13 LEU 8 HD13 LEU 8 178.627 -2.448 4.393 363 HD21 LEU 8 HD21 LEU 8 182.833 -3.059 4.308 364 HD22 LEU 8 HD22 LEU 8 182.057 -2.553 5.809 365 HD23 LEU 8 HD23 LEU 8 182.192 -1.423 4.462 366 H VAL 9 HN VAL 9 179.684 -3.203 8.049 367 HA VAL 9 HA VAL 9 176.797 -3.375 7.491 368 HB VAL 9 HB VAL 9 176.370 -3.302 9.918 369 HG11 VAL 9 HG11 VAL 9 177.017 -5.619 10.409 370 HG12 VAL 9 HG12 VAL 9 178.110 -5.596 9.026 371 HG13 VAL 9 HG13 VAL 9 176.372 -5.446 8.777 372 HG21 VAL 9 HG21 VAL 9 178.198 -3.750 11.492 373 HG22 VAL 9 HG22 VAL 9 178.434 -2.225 10.636 374 HG23 VAL 9 HG23 VAL 9 179.357 -3.652 10.166 375 H CYS 10 HN CYS 10 175.618 -1.517 7.702 376 HA CYS 10 HA CYS 10 177.168 0.935 8.179 377 HB2 CYS 10 HB2 CYS 10 176.174 0.757 5.943 378 HB3 CYS 10 HB1 CYS 10 174.579 0.550 6.660 379 HG CYS 10 HG CYS 10 175.883 3.282 5.667 380 H ASP 11 HN ASP 11 176.417 2.524 9.557 381 HA ASP 11 HA ASP 11 174.297 1.659 11.402 382 HB2 ASP 11 HB2 ASP 11 176.527 3.660 11.826 383 HB3 ASP 11 HB1 ASP 11 175.321 3.207 13.027 384 H GLY 12 HN GLY 12 172.395 2.620 11.182 385 HA2 GLY 12 HA2 GLY 12 172.135 5.056 9.647 386 HA3 GLY 12 HA1 GLY 12 170.825 4.107 10.330 387 H ASP 13 HN ASP 13 172.408 4.252 12.977 388 HA ASP 13 HA ASP 13 170.919 6.266 14.188 389 HB2 ASP 13 HB2 ASP 13 173.549 5.077 15.095 390 HB3 ASP 13 HB1 ASP 13 172.449 6.004 16.111 391 H THR 14 HN THR 14 174.084 6.375 12.683 392 HA THR 14 HA THR 14 174.019 9.297 12.887 393 HB THR 14 HB THR 14 176.428 9.383 13.387 394 HG1 THR 14 HG1 THR 14 176.135 6.558 13.636 395 HG21 THR 14 HG21 THR 14 174.830 9.544 15.228 396 HG22 THR 14 HG22 THR 14 176.295 8.706 15.743 397 HG23 THR 14 HG23 THR 14 174.830 7.787 15.393 398 H TYR 15 HN TYR 15 173.776 6.986 10.809 399 HA TYR 15 HA TYR 15 174.234 6.691 8.604 400 HB2 TYR 15 HB2 TYR 15 175.299 9.519 8.731 401 HB3 TYR 15 HB1 TYR 15 174.796 8.652 7.282 402 HD1 TYR 15 HD1 TYR 15 172.321 7.869 7.214 403 HD2 TYR 15 HD2 TYR 15 173.778 10.870 9.854 404 HE1 TYR 15 HE1 TYR 15 170.032 8.728 7.491 405 HE2 TYR 15 HE2 TYR 15 171.494 11.736 10.140 406 HH TYR 15 HH TYR 15 169.355 11.725 8.929 407 H LYS 16 HN LYS 16 176.373 6.318 10.760 408 HA LYS 16 HA LYS 16 178.821 6.661 9.227 409 HB2 LYS 16 HB2 LYS 16 178.310 5.573 12.000 410 HB3 LYS 16 HB1 LYS 16 179.903 5.686 11.267 411 HG2 LYS 16 HG2 LYS 16 179.640 8.119 11.096 412 HG3 LYS 16 HG1 LYS 16 178.059 7.989 11.869 413 HD2 LYS 16 HD2 LYS 16 179.096 7.077 13.874 414 HD3 LYS 16 HD1 LYS 16 180.679 7.133 13.099 415 HE2 LYS 16 HE2 LYS 16 178.922 9.508 13.707 416 HE3 LYS 16 HE1 LYS 16 180.353 9.024 14.617 417 HZ1 LYS 16 HZ1 LYS 16 180.309 9.872 11.770 418 HZ2 LYS 16 HZ2 LYS 16 181.685 9.389 12.626 419 HZ3 LYS 16 HZ3 LYS 16 180.864 10.799 13.072 420 H CYS 17 HN CYS 17 179.524 5.169 7.866 421 HA CYS 17 HA CYS 17 178.433 2.468 8.001 422 HB2 CYS 17 HB2 CYS 17 178.400 3.618 5.836 423 HB3 CYS 17 HB1 CYS 17 180.150 3.793 5.892 424 HG CYS 17 HG CYS 17 179.896 0.687 6.245 425 H THR 18 HN THR 18 179.485 1.056 9.228 426 HA THR 18 HA THR 18 182.365 1.320 9.622 427 HB THR 18 HB THR 18 180.429 -0.598 10.937 428 HG1 THR 18 HG1 THR 18 180.269 0.882 12.538 429 HG21 THR 18 HG21 THR 18 182.742 -1.391 10.978 430 HG22 THR 18 HG22 THR 18 182.217 -0.903 12.590 431 HG23 THR 18 HG23 THR 18 183.268 0.154 11.646 432 H ALA 19 HN ALA 19 183.825 -0.388 9.247 433 HA ALA 19 HA ALA 19 182.857 -2.652 7.667 434 HB1 ALA 19 HB1 ALA 19 184.549 -2.328 5.954 435 HB2 ALA 19 HB2 ALA 19 185.110 -0.864 6.760 436 HB3 ALA 19 HB3 ALA 19 183.496 -0.916 6.053 437 H TYR 20 HN TYR 20 184.176 -4.483 7.734 438 HA TYR 20 HA TYR 20 186.325 -4.376 9.748 439 HB2 TYR 20 HB2 TYR 20 184.452 -6.654 9.077 440 HB3 TYR 20 HB1 TYR 20 185.792 -6.759 10.212 441 HD1 TYR 20 HD1 TYR 20 182.496 -5.214 9.602 442 HD2 TYR 20 HD2 TYR 20 185.600 -5.902 12.430 443 HE1 TYR 20 HE1 TYR 20 181.021 -4.426 11.404 444 HE2 TYR 20 HE2 TYR 20 184.133 -5.116 14.240 445 HH TYR 20 HH TYR 20 182.151 -3.685 14.515 446 H LEU 21 HN LEU 21 188.289 -4.687 8.961 447 HA LEU 21 HA LEU 21 188.683 -5.704 6.295 448 HB2 LEU 21 HB2 LEU 21 190.691 -4.910 8.407 449 HB3 LEU 21 HB1 LEU 21 191.067 -5.267 6.732 450 HG LEU 21 HG LEU 21 189.384 -2.960 7.715 451 HD11 LEU 21 HD11 LEU 21 192.143 -3.040 6.500 452 HD12 LEU 21 HD12 LEU 21 191.755 -2.675 8.182 453 HD13 LEU 21 HD13 LEU 21 191.234 -1.582 6.899 454 HD21 LEU 21 HD21 LEU 21 189.402 -2.225 5.381 455 HD22 LEU 21 HD22 LEU 21 188.597 -3.784 5.561 456 HD23 LEU 21 HD23 LEU 21 190.238 -3.709 4.920 457 H ASP 22 HN ASP 22 190.278 -7.411 5.830 458 HA ASP 22 HA ASP 22 189.887 -9.671 7.648 459 HB2 ASP 22 HB2 ASP 22 189.251 -9.937 5.265 460 HB3 ASP 22 HB1 ASP 22 190.925 -9.640 4.804 461 H TYR 23 HN TYR 23 191.905 -7.423 7.934 462 HA TYR 23 HA TYR 23 194.456 -8.734 7.583 463 HB2 TYR 23 HB2 TYR 23 194.265 -6.315 7.236 464 HB3 TYR 23 HB1 TYR 23 193.743 -6.106 8.903 465 HD1 TYR 23 HD1 TYR 23 195.334 -6.294 10.739 466 HD2 TYR 23 HD2 TYR 23 196.589 -6.741 6.699 467 HE1 TYR 23 HE1 TYR 23 197.673 -6.025 11.443 468 HE2 TYR 23 HE2 TYR 23 198.933 -6.474 7.392 469 HH TYR 23 HH TYR 23 199.919 -6.610 10.636 470 H GLY 24 HN GLY 24 195.809 -9.478 9.203 471 HA2 GLY 24 HA2 GLY 24 196.355 -10.458 11.205 472 HA3 GLY 24 HA1 GLY 24 195.396 -9.194 11.959 473 H ASP 25 HN ASP 25 193.874 -9.968 13.245 474 HA ASP 25 HA ASP 25 192.762 -12.625 12.686 475 HB2 ASP 25 HB2 ASP 25 192.007 -12.603 15.024 476 HB3 ASP 25 HB1 ASP 25 193.740 -12.309 14.913 477 H GLY 26 HN GLY 26 191.891 -9.258 13.081 478 HA2 GLY 26 HA2 GLY 26 189.884 -8.752 11.590 479 HA3 GLY 26 HA1 GLY 26 189.068 -9.952 12.581 480 H LYS 27 HN LYS 27 191.164 -7.130 13.195 481 HA LYS 27 HA LYS 27 189.155 -6.209 15.145 482 HB2 LYS 27 HB2 LYS 27 192.156 -5.848 15.222 483 HB3 LYS 27 HB1 LYS 27 191.027 -5.139 16.367 484 HG2 LYS 27 HG2 LYS 27 190.337 -7.375 17.073 485 HG3 LYS 27 HG1 LYS 27 191.480 -8.083 15.930 486 HD2 LYS 27 HD2 LYS 27 193.332 -7.022 17.107 487 HD3 LYS 27 HD1 LYS 27 192.199 -6.272 18.234 488 HE2 LYS 27 HE2 LYS 27 191.485 -8.497 18.978 489 HE3 LYS 27 HE1 LYS 27 192.631 -9.235 17.860 490 HZ1 LYS 27 HZ1 LYS 27 193.519 -9.143 20.101 491 HZ2 LYS 27 HZ2 LYS 27 193.334 -7.463 20.138 492 HZ3 LYS 27 HZ3 LYS 27 194.435 -8.168 19.065 493 H TRP 28 HN TRP 28 191.558 -5.221 12.748 494 HA TRP 28 HA TRP 28 191.118 -2.460 12.845 495 HB2 TRP 28 HB2 TRP 28 191.920 -4.156 10.471 496 HB3 TRP 28 HB1 TRP 28 192.093 -2.408 10.582 497 HD1 TRP 28 HD1 TRP 28 193.576 -5.655 11.992 498 HE1 TRP 28 HE1 TRP 28 195.884 -5.126 13.001 499 HE3 TRP 28 HE3 TRP 28 193.493 -0.558 11.584 500 HZ2 TRP 28 HZ2 TRP 28 197.461 -2.850 13.552 501 HZ3 TRP 28 HZ3 TRP 28 195.441 0.720 12.376 502 HH2 TRP 28 HH2 TRP 28 197.383 -0.404 13.339 503 H VAL 29 HN VAL 29 189.476 -1.214 12.215 504 HA VAL 29 HA VAL 29 187.595 -2.246 10.211 505 HB VAL 29 HB VAL 29 185.684 -1.394 11.508 506 HG11 VAL 29 HG11 VAL 29 185.653 -3.163 13.216 507 HG12 VAL 29 HG12 VAL 29 187.381 -3.412 12.972 508 HG13 VAL 29 HG13 VAL 29 186.248 -3.747 11.663 509 HG21 VAL 29 HG21 VAL 29 185.970 -0.819 13.877 510 HG22 VAL 29 HG22 VAL 29 186.835 0.300 12.823 511 HG23 VAL 29 HG23 VAL 29 187.719 -0.954 13.692 512 H ALA 30 HN ALA 30 186.768 -0.745 8.829 513 HA ALA 30 HA ALA 30 187.904 1.949 9.020 514 HB1 ALA 30 HB1 ALA 30 186.581 0.584 6.677 515 HB2 ALA 30 HB2 ALA 30 188.319 0.690 6.955 516 HB3 ALA 30 HB3 ALA 30 187.384 2.154 6.651 517 H GLN 31 HN GLN 31 186.580 3.806 8.529 518 HA GLN 31 HA GLN 31 183.697 3.468 8.670 519 HB2 GLN 31 HB2 GLN 31 185.249 4.992 10.770 520 HB3 GLN 31 HB1 GLN 31 183.504 5.068 10.570 521 HG2 GLN 31 HG2 GLN 31 183.296 2.728 11.102 522 HG3 GLN 31 HG1 GLN 31 185.048 2.557 11.175 523 HE21 GLN 31 HE21 GLN 31 183.287 5.312 12.447 524 HE22 GLN 31 HE22 GLN 31 183.617 4.990 14.110 525 H TRP 32 HN TRP 32 182.555 5.158 7.800 526 HA TRP 32 HA TRP 32 183.784 7.693 7.238 527 HB2 TRP 32 HB2 TRP 32 183.571 7.538 4.784 528 HB3 TRP 32 HB1 TRP 32 184.742 6.384 5.417 529 HD1 TRP 32 HD1 TRP 32 181.447 6.585 3.560 530 HE1 TRP 32 HE1 TRP 32 180.765 4.226 2.789 531 HE3 TRP 32 HE3 TRP 32 184.934 3.856 6.116 532 HZ2 TRP 32 HZ2 TRP 32 181.595 1.561 3.209 533 HZ3 TRP 32 HZ3 TRP 32 184.921 1.407 5.877 534 HH2 TRP 32 HH2 TRP 32 183.285 0.284 4.453 535 H ASP 33 HN ASP 33 182.259 9.214 7.286 536 HA ASP 33 HA ASP 33 179.571 8.643 7.783 537 HB2 ASP 33 HB2 ASP 33 180.796 11.208 6.746 538 HB3 ASP 33 HB1 ASP 33 179.183 11.059 7.436 539 H THR 34 HN THR 34 177.694 8.879 6.534 540 HA THR 34 HA THR 34 177.963 9.256 3.661 541 HB THR 34 HB THR 34 176.778 7.183 3.101 542 HG1 THR 34 HG1 THR 34 175.921 5.990 4.625 543 HG21 THR 34 HG21 THR 34 179.224 7.179 3.055 544 HG22 THR 34 HG22 THR 34 178.599 5.602 3.538 545 HG23 THR 34 HG23 THR 34 179.261 6.698 4.751 546 H ALA 35 HN ALA 35 175.592 8.738 2.701 547 HA ALA 35 HA ALA 35 173.691 10.165 4.444 548 HB1 ALA 35 HB1 ALA 35 173.896 10.303 1.437 549 HB2 ALA 35 HB2 ALA 35 174.433 11.546 2.567 550 HB3 ALA 35 HB3 ALA 35 172.719 11.154 2.438 551 H VAL 36 HN VAL 36 171.981 9.010 5.016 552 HA VAL 36 HA VAL 36 171.045 6.877 3.209 553 HB VAL 36 HB VAL 36 170.961 6.781 6.227 554 HG11 VAL 36 HG11 VAL 36 170.308 4.700 4.143 555 HG12 VAL 36 HG12 VAL 36 169.151 5.550 5.167 556 HG13 VAL 36 HG13 VAL 36 170.315 4.439 5.887 557 HG21 VAL 36 HG21 VAL 36 172.697 5.057 6.049 558 HG22 VAL 36 HG22 VAL 36 173.258 6.615 5.442 559 HG23 VAL 36 HG23 VAL 36 172.796 5.344 4.311 560 H PHE 37 HN PHE 37 168.963 6.972 2.649 561 HA PHE 37 HA PHE 37 167.068 8.398 4.359 562 HB2 PHE 37 HB2 PHE 37 166.156 9.640 2.434 563 HB3 PHE 37 HB1 PHE 37 167.830 10.076 2.760 564 HD1 PHE 37 HD1 PHE 37 165.539 8.462 0.430 565 HD2 PHE 37 HD2 PHE 37 169.604 9.430 1.234 566 HE1 PHE 37 HE1 PHE 37 166.117 7.957 -1.908 567 HE2 PHE 37 HE2 PHE 37 170.190 8.927 -1.102 568 HZ PHE 37 HZ PHE 37 168.445 8.191 -2.676 569 H HIS 38 HN HIS 38 164.805 8.006 3.731 570 HA HIS 38 HA HIS 38 164.491 5.247 2.839 571 HB2 HIS 38 HB2 HIS 38 163.421 5.919 4.945 572 HB3 HIS 38 HB1 HIS 38 162.498 7.149 4.091 573 HD1 HIS 38 HD1 HIS 38 160.367 6.418 2.944 574 HD2 HIS 38 HD2 HIS 38 162.617 3.229 4.372 575 HE1 HIS 38 HE1 HIS 38 158.891 4.396 2.709 576 HE2 HIS 38 HE2 HIS 38 160.271 2.476 3.579 577 H THR 39 HN THR 39 163.189 4.614 1.137 578 HA THR 39 HA THR 39 162.558 6.742 -0.790 579 HB THR 39 HB THR 39 162.539 4.968 -2.500 580 HG1 THR 39 HG1 THR 39 163.439 3.243 -0.416 581 HG21 THR 39 HG21 THR 39 164.628 6.154 -2.043 582 HG22 THR 39 HG22 THR 39 164.942 4.476 -2.485 583 HG23 THR 39 HG23 THR 39 165.034 4.974 -0.796 584 H THR 40 HN THR 40 160.505 7.288 -1.068 585 HA THR 40 HA THR 40 158.400 5.560 -0.030 586 HB THR 40 HB THR 40 156.901 7.475 -0.420 587 HG1 THR 40 HG1 THR 40 158.025 8.370 -2.230 588 HG21 THR 40 HG21 THR 40 157.883 9.002 1.230 589 HG22 THR 40 HG22 THR 40 159.448 8.214 1.026 590 HG23 THR 40 HG23 THR 40 158.092 7.317 1.709 591 H1 ALA 1 HT1 ALA 1 172.942 4.373 -16.123 592 H2 ALA 1 HT2 ALA 1 174.527 4.435 -15.538 593 H3 ALA 1 HT3 ALA 1 173.228 4.386 -14.457 594 HA ALA 1 HA ALA 1 172.642 2.178 -15.189 595 HB1 ALA 1 HB1 ALA 1 174.078 0.966 -16.732 596 HB2 ALA 1 HB2 ALA 1 175.095 2.394 -16.929 597 HB3 ALA 1 HB3 ALA 1 173.425 2.416 -17.495 598 HA PRO 2 HA PRO 2 175.607 1.840 -11.728 599 HB2 PRO 2 HB2 PRO 2 174.023 0.246 -10.206 600 HB3 PRO 2 HB1 PRO 2 173.841 2.006 -10.261 601 HG2 PRO 2 HG2 PRO 2 172.266 -0.088 -11.687 602 HG3 PRO 2 HG1 PRO 2 171.703 1.389 -10.881 603 HD2 PRO 2 HD2 PRO 2 171.994 1.224 -13.564 604 HD3 PRO 2 HD1 PRO 2 172.239 2.733 -12.662 605 H VAL 3 HN VAL 3 176.839 0.083 -10.924 606 HA VAL 3 HA VAL 3 176.404 -2.519 -12.198 607 HB VAL 3 HB VAL 3 178.802 -2.718 -12.740 608 HG11 VAL 3 HG11 VAL 3 177.232 -2.049 -14.473 609 HG12 VAL 3 HG12 VAL 3 178.786 -1.249 -14.704 610 HG13 VAL 3 HG13 VAL 3 177.429 -0.356 -14.019 611 HG21 VAL 3 HG21 VAL 3 178.897 0.185 -11.927 612 HG22 VAL 3 HG22 VAL 3 180.178 -0.653 -12.804 613 HG23 VAL 3 HG23 VAL 3 179.751 -1.160 -11.170 614 HA PRO 4 HA PRO 4 177.073 -3.823 -7.975 615 HB2 PRO 4 HB2 PRO 4 177.682 -6.425 -9.269 616 HB3 PRO 4 HB1 PRO 4 176.502 -6.042 -8.008 617 HG2 PRO 4 HG2 PRO 4 175.708 -6.540 -10.494 618 HG3 PRO 4 HG1 PRO 4 174.916 -5.297 -9.504 619 HD2 PRO 4 HD2 PRO 4 176.869 -4.969 -11.735 620 HD3 PRO 4 HD1 PRO 4 175.453 -3.982 -11.313 621 H VAL 5 HN VAL 5 178.797 -4.508 -6.646 622 HA VAL 5 HA VAL 5 181.426 -4.157 -7.875 623 HB VAL 5 HB VAL 5 180.705 -4.297 -4.943 624 HG11 VAL 5 HG11 VAL 5 182.918 -3.309 -4.589 625 HG12 VAL 5 HG12 VAL 5 183.233 -3.396 -6.323 626 HG13 VAL 5 HG13 VAL 5 183.028 -4.878 -5.388 627 HG21 VAL 5 HG21 VAL 5 180.940 -1.863 -4.950 628 HG22 VAL 5 HG22 VAL 5 179.642 -2.385 -6.024 629 HG23 VAL 5 HG23 VAL 5 181.196 -1.890 -6.695 630 H THR 6 HN THR 6 183.052 -5.664 -7.776 631 HA THR 6 HA THR 6 182.240 -8.363 -6.917 632 HB THR 6 HB THR 6 183.926 -9.225 -8.496 633 HG1 THR 6 HG1 THR 6 184.204 -6.501 -9.295 634 HG21 THR 6 HG21 THR 6 181.621 -8.956 -9.259 635 HG22 THR 6 HG22 THR 6 182.755 -8.643 -10.573 636 HG23 THR 6 HG23 THR 6 181.967 -7.297 -9.749 637 H LYS 7 HN LYS 7 185.200 -6.403 -7.290 638 HA LYS 7 HA LYS 7 186.290 -7.756 -4.913 639 HB2 LYS 7 HB2 LYS 7 187.608 -8.098 -6.949 640 HB3 LYS 7 HB1 LYS 7 187.741 -6.359 -7.170 641 HG2 LYS 7 HG2 LYS 7 189.016 -6.184 -5.099 642 HG3 LYS 7 HG1 LYS 7 188.868 -7.926 -4.858 643 HD2 LYS 7 HD2 LYS 7 190.096 -8.326 -6.929 644 HD3 LYS 7 HD1 LYS 7 190.218 -6.587 -7.202 645 HE2 LYS 7 HE2 LYS 7 192.286 -7.485 -6.264 646 HE3 LYS 7 HE1 LYS 7 191.521 -6.346 -5.156 647 HZ1 LYS 7 HZ1 LYS 7 190.624 -8.220 -3.915 648 HZ2 LYS 7 HZ2 LYS 7 192.311 -8.302 -3.991 649 HZ3 LYS 7 HZ3 LYS 7 191.372 -9.308 -4.975 650 H LEU 8 HN LEU 8 186.388 -6.595 -3.114 651 HA LEU 8 HA LEU 8 186.712 -3.677 -3.329 652 HB2 LEU 8 HB2 LEU 8 184.362 -4.558 -2.706 653 HB3 LEU 8 HB1 LEU 8 185.081 -4.962 -1.159 654 HG LEU 8 HG LEU 8 183.944 -2.840 -0.993 655 HD11 LEU 8 HD11 LEU 8 185.706 -1.477 -0.114 656 HD12 LEU 8 HD12 LEU 8 186.912 -2.339 -1.068 657 HD13 LEU 8 HD13 LEU 8 186.070 -3.165 0.243 658 HD21 LEU 8 HD21 LEU 8 183.994 -2.200 -3.339 659 HD22 LEU 8 HD22 LEU 8 185.735 -1.936 -3.244 660 HD23 LEU 8 HD23 LEU 8 184.637 -0.906 -2.326 661 H VAL 9 HN VAL 9 188.706 -3.290 -2.603 662 HA VAL 9 HA VAL 9 189.512 -4.534 -0.057 663 HB VAL 9 HB VAL 9 191.852 -4.496 -0.832 664 HG11 VAL 9 HG11 VAL 9 191.686 -6.390 -2.388 665 HG12 VAL 9 HG12 VAL 9 189.971 -6.041 -2.613 666 HG13 VAL 9 HG13 VAL 9 190.568 -6.549 -1.033 667 HG21 VAL 9 HG21 VAL 9 192.342 -4.165 -3.212 668 HG22 VAL 9 HG22 VAL 9 191.682 -2.707 -2.473 669 HG23 VAL 9 HG23 VAL 9 190.659 -3.720 -3.493 670 H CYS 10 HN CYS 10 190.478 -3.228 1.442 671 HA CYS 10 HA CYS 10 190.511 -0.358 0.804 672 HB2 CYS 10 HB2 CYS 10 188.975 -1.003 2.606 673 HB3 CYS 10 HB1 CYS 10 190.308 -1.741 3.489 674 HG CYS 10 HG CYS 10 189.195 1.224 3.844 675 H ASP 11 HN ASP 11 192.276 0.915 1.312 676 HA ASP 11 HA ASP 11 194.754 -0.569 1.861 677 HB2 ASP 11 HB2 ASP 11 194.370 2.129 0.541 678 HB3 ASP 11 HB1 ASP 11 195.918 1.329 0.795 679 H GLY 12 HN GLY 12 195.555 -0.382 3.838 680 HA2 GLY 12 HA2 GLY 12 194.641 1.708 5.614 681 HA3 GLY 12 HA1 GLY 12 195.717 0.383 6.026 682 H ASP 13 HN ASP 13 197.343 1.232 3.542 683 HA ASP 13 HA ASP 13 199.350 2.622 4.873 684 HB2 ASP 13 HB2 ASP 13 198.791 2.525 1.900 685 HB3 ASP 13 HB1 ASP 13 200.309 3.037 2.633 686 H THR 14 HN THR 14 196.595 3.802 3.054 687 HA THR 14 HA THR 14 197.186 6.506 4.019 688 HB THR 14 HB THR 14 196.537 7.491 1.859 689 HG1 THR 14 HG1 THR 14 196.520 4.771 1.005 690 HG21 THR 14 HG21 THR 14 198.909 7.151 2.341 691 HG22 THR 14 HG22 THR 14 198.583 6.934 0.621 692 HG23 THR 14 HG23 THR 14 198.824 5.528 1.658 693 H TYR 15 HN TYR 15 195.167 4.161 4.402 694 HA TYR 15 HA TYR 15 192.979 3.941 4.970 695 HB2 TYR 15 HB2 TYR 15 192.974 6.965 5.021 696 HB3 TYR 15 HB1 TYR 15 191.817 5.901 5.815 697 HD1 TYR 15 HD1 TYR 15 192.785 4.265 7.584 698 HD2 TYR 15 HD2 TYR 15 194.834 7.723 6.191 699 HE1 TYR 15 HE1 TYR 15 194.186 4.240 9.605 700 HE2 TYR 15 HE2 TYR 15 196.243 7.707 8.207 701 HH TYR 15 HH TYR 15 196.155 6.852 10.510 702 H LYS 16 HN LYS 16 193.850 4.486 2.088 703 HA LYS 16 HA LYS 16 191.428 5.621 0.946 704 HB2 LYS 16 HB2 LYS 16 193.959 4.565 -0.326 705 HB3 LYS 16 HB1 LYS 16 192.600 5.216 -1.233 706 HG2 LYS 16 HG2 LYS 16 192.888 7.371 -0.099 707 HG3 LYS 16 HG1 LYS 16 194.275 6.713 0.773 708 HD2 LYS 16 HD2 LYS 16 195.445 6.348 -1.329 709 HD3 LYS 16 HD1 LYS 16 194.047 6.938 -2.228 710 HE2 LYS 16 HE2 LYS 16 195.696 8.535 -0.272 711 HE3 LYS 16 HE1 LYS 16 195.779 8.655 -2.028 712 HZ1 LYS 16 HZ1 LYS 16 193.405 9.279 -0.355 713 HZ2 LYS 16 HZ2 LYS 16 193.467 9.379 -2.043 714 HZ3 LYS 16 HZ3 LYS 16 194.418 10.412 -1.100 715 H CYS 17 HN CYS 17 189.713 4.421 0.503 716 HA CYS 17 HA CYS 17 189.978 1.518 0.392 717 HB2 CYS 17 HB2 CYS 17 188.238 2.464 1.840 718 HB3 CYS 17 HB1 CYS 17 187.511 3.270 0.453 719 HG CYS 17 HG CYS 17 187.530 0.308 -0.580 720 H THR 18 HN THR 18 190.391 0.653 -1.528 721 HA THR 18 HA THR 18 189.457 1.973 -3.960 722 HB THR 18 HB THR 18 191.248 -0.450 -3.672 723 HG1 THR 18 HG1 THR 18 192.923 0.950 -3.787 724 HG21 THR 18 HG21 THR 18 190.123 -0.340 -5.840 725 HG22 THR 18 HG22 THR 18 191.844 0.006 -6.008 726 HG23 THR 18 HG23 THR 18 190.672 1.323 -6.050 727 H ALA 19 HN ALA 19 188.236 0.900 -5.555 728 HA ALA 19 HA ALA 19 186.992 -1.640 -4.805 729 HB1 ALA 19 HB1 ALA 19 184.754 -0.809 -5.255 730 HB2 ALA 19 HB2 ALA 19 185.399 0.799 -5.586 731 HB3 ALA 19 HB3 ALA 19 185.508 0.123 -3.962 732 H TYR 20 HN TYR 20 186.209 -2.856 -6.538 733 HA TYR 20 HA TYR 20 187.012 -1.868 -9.196 734 HB2 TYR 20 HB2 TYR 20 186.981 -4.704 -8.145 735 HB3 TYR 20 HB1 TYR 20 187.353 -4.254 -9.805 736 HD1 TYR 20 HD1 TYR 20 188.525 -4.053 -6.310 737 HD2 TYR 20 HD2 TYR 20 189.504 -3.413 -10.401 738 HE1 TYR 20 HE1 TYR 20 190.888 -3.766 -5.694 739 HE2 TYR 20 HE2 TYR 20 191.870 -3.125 -9.796 740 HH TYR 20 HH TYR 20 193.204 -2.505 -7.824 741 H LEU 21 HN LEU 21 185.382 -1.479 -10.523 742 HA LEU 21 HA LEU 21 182.724 -2.418 -9.935 743 HB2 LEU 21 HB2 LEU 21 183.767 -0.838 -12.286 744 HB3 LEU 21 HB1 LEU 21 182.076 -1.118 -11.923 745 HG LEU 21 HG LEU 21 184.011 0.461 -10.227 746 HD11 LEU 21 HD11 LEU 21 181.672 1.333 -11.918 747 HD12 LEU 21 HD12 LEU 21 183.377 1.616 -12.273 748 HD13 LEU 21 HD13 LEU 21 182.630 2.376 -10.866 749 HD21 LEU 21 HD21 LEU 21 182.045 1.030 -8.885 750 HD22 LEU 21 HD22 LEU 21 182.368 -0.703 -8.855 751 HD23 LEU 21 HD23 LEU 21 181.064 -0.067 -9.858 752 H ASP 22 HN ASP 22 181.362 -3.446 -11.598 753 HA ASP 22 HA ASP 22 182.846 -5.595 -12.919 754 HB2 ASP 22 HB2 ASP 22 181.005 -6.198 -11.369 755 HB3 ASP 22 HB1 ASP 22 179.872 -5.335 -12.407 756 H TYR 23 HN TYR 23 182.468 -2.755 -13.915 757 HA TYR 23 HA TYR 23 180.823 -3.058 -16.271 758 HB2 TYR 23 HB2 TYR 23 180.921 -0.898 -15.117 759 HB3 TYR 23 HB1 TYR 23 182.654 -0.809 -15.409 760 HD1 TYR 23 HD1 TYR 23 183.518 -0.307 -17.632 761 HD2 TYR 23 HD2 TYR 23 179.332 -0.472 -16.894 762 HE1 TYR 23 HE1 TYR 23 183.103 0.836 -19.768 763 HE2 TYR 23 HE2 TYR 23 178.904 0.669 -19.031 764 HH TYR 23 HH TYR 23 181.290 1.069 -21.410 765 H GLY 24 HN GLY 24 181.532 -3.170 -18.390 766 HA2 GLY 24 HA2 GLY 24 182.916 -3.779 -20.117 767 HA3 GLY 24 HA1 GLY 24 184.183 -2.916 -19.259 768 H ASP 25 HN ASP 25 185.909 -4.126 -18.899 769 HA ASP 25 HA ASP 25 185.578 -7.030 -18.651 770 HB2 ASP 25 HB2 ASP 25 187.981 -7.165 -19.135 771 HB3 ASP 25 HB1 ASP 25 187.132 -6.264 -20.388 772 H GLY 26 HN GLY 26 186.764 -4.198 -16.969 773 HA2 GLY 26 HA2 GLY 26 186.435 -4.538 -14.463 774 HA3 GLY 26 HA1 GLY 26 187.522 -5.902 -14.683 775 H LYS 27 HN LYS 27 187.474 -2.481 -15.699 776 HA LYS 27 HA LYS 27 190.228 -2.258 -14.673 777 HB2 LYS 27 HB2 LYS 27 188.972 -0.823 -17.018 778 HB3 LYS 27 HB1 LYS 27 190.589 -0.517 -16.399 779 HG2 LYS 27 HG2 LYS 27 191.232 -2.811 -16.945 780 HG3 LYS 27 HG1 LYS 27 189.611 -3.111 -17.576 781 HD2 LYS 27 HD2 LYS 27 189.939 -1.386 -19.268 782 HD3 LYS 27 HD1 LYS 27 191.546 -1.046 -18.624 783 HE2 LYS 27 HE2 LYS 27 192.237 -3.336 -19.163 784 HE3 LYS 27 HE1 LYS 27 190.633 -3.661 -19.819 785 HZ1 LYS 27 HZ1 LYS 27 192.210 -3.135 -21.567 786 HZ2 LYS 27 HZ2 LYS 27 192.547 -1.639 -20.854 787 HZ3 LYS 27 HZ3 LYS 27 191.008 -1.948 -21.483 788 H TRP 28 HN TRP 28 187.150 -0.586 -15.148 789 HA TRP 28 HA TRP 28 187.799 1.824 -13.885 790 HB2 TRP 28 HB2 TRP 28 185.122 0.418 -13.999 791 HB3 TRP 28 HB1 TRP 28 185.369 2.113 -13.589 792 HD1 TRP 28 HD1 TRP 28 185.506 -0.290 -16.577 793 HE1 TRP 28 HE1 TRP 28 185.409 1.097 -18.743 794 HE3 TRP 28 HE3 TRP 28 185.853 4.395 -14.559 795 HZ2 TRP 28 HZ2 TRP 28 185.471 3.817 -19.497 796 HZ3 TRP 28 HZ3 TRP 28 185.826 6.336 -16.072 797 HH2 TRP 28 HH2 TRP 28 185.641 6.050 -18.489 798 H VAL 29 HN VAL 29 188.158 2.350 -11.825 799 HA VAL 29 HA VAL 29 187.119 0.600 -9.710 800 HB VAL 29 HB VAL 29 189.245 0.760 -8.478 801 HG11 VAL 29 HG11 VAL 29 190.531 -0.806 -9.871 802 HG12 VAL 29 HG12 VAL 29 189.492 -0.419 -11.243 803 HG13 VAL 29 HG13 VAL 29 188.815 -1.213 -9.821 804 HG21 VAL 29 HG21 VAL 29 191.273 1.520 -9.631 805 HG22 VAL 29 HG22 VAL 29 190.098 2.823 -9.448 806 HG23 VAL 29 HG23 VAL 29 190.294 2.025 -11.009 807 H ALA 30 HN ALA 30 186.478 1.621 -7.866 808 HA ALA 30 HA ALA 30 186.479 4.550 -7.949 809 HB1 ALA 30 HB1 ALA 30 184.841 2.678 -6.241 810 HB2 ALA 30 HB2 ALA 30 184.308 3.426 -7.746 811 HB3 ALA 30 HB3 ALA 30 184.659 4.429 -6.338 812 H GLN 31 HN GLN 31 186.895 5.767 -6.002 813 HA GLN 31 HA GLN 31 188.293 4.407 -3.849 814 HB2 GLN 31 HB2 GLN 31 189.629 6.499 -5.573 815 HB3 GLN 31 HB1 GLN 31 190.262 5.921 -4.039 816 HG2 GLN 31 HG2 GLN 31 190.518 3.697 -4.927 817 HG3 GLN 31 HG1 GLN 31 189.759 4.183 -6.441 818 HE21 GLN 31 HE21 GLN 31 192.044 6.166 -4.664 819 HE22 GLN 31 HE22 GLN 31 193.314 6.073 -5.828 820 H TRP 32 HN TRP 32 188.270 5.515 -1.928 821 HA TRP 32 HA TRP 32 187.545 8.292 -1.784 822 HB2 TRP 32 HB2 TRP 32 185.463 7.943 -0.506 823 HB3 TRP 32 HB1 TRP 32 185.334 7.330 -2.152 824 HD1 TRP 32 HD1 TRP 32 185.232 6.218 1.467 825 HE1 TRP 32 HE1 TRP 32 184.557 3.736 1.570 826 HE3 TRP 32 HE3 TRP 32 185.530 5.087 -3.510 827 HZ2 TRP 32 HZ2 TRP 32 184.198 1.585 -0.222 828 HZ3 TRP 32 HZ3 TRP 32 185.005 2.794 -4.232 829 HH2 TRP 32 HH2 TRP 32 184.354 1.081 -2.620 830 H ASP 33 HN ASP 33 188.482 9.149 -0.045 831 HA ASP 33 HA ASP 33 190.074 7.663 1.703 832 HB2 ASP 33 HB2 ASP 33 188.938 10.441 2.084 833 HB3 ASP 33 HB1 ASP 33 190.262 9.749 3.016 834 H THR 34 HN THR 34 189.864 7.131 3.895 835 HA THR 34 HA THR 34 187.263 7.432 5.166 836 HB THR 34 HB THR 34 187.040 5.044 5.676 837 HG1 THR 34 HG1 THR 34 188.616 3.701 5.240 838 HG21 THR 34 HG21 THR 34 185.881 5.932 3.713 839 HG22 THR 34 HG22 THR 34 186.385 4.263 3.448 840 HG23 THR 34 HG23 THR 34 187.293 5.586 2.715 841 H ALA 35 HN ALA 35 187.433 6.036 7.363 842 HA ALA 35 HA ALA 35 190.022 6.756 8.574 843 HB1 ALA 35 HB1 ALA 35 187.301 6.804 9.877 844 HB2 ALA 35 HB2 ALA 35 188.212 8.214 9.336 845 HB3 ALA 35 HB3 ALA 35 188.830 7.216 10.653 846 H VAL 36 HN VAL 36 191.156 5.087 9.292 847 HA VAL 36 HA VAL 36 189.713 2.670 10.170 848 HB VAL 36 HB VAL 36 192.395 2.705 8.779 849 HG11 VAL 36 HG11 VAL 36 190.587 0.426 9.574 850 HG12 VAL 36 HG12 VAL 36 192.128 0.845 10.322 851 HG13 VAL 36 HG13 VAL 36 192.084 0.276 8.654 852 HG21 VAL 36 HG21 VAL 36 191.219 1.728 6.861 853 HG22 VAL 36 HG22 VAL 36 190.634 3.350 7.228 854 HG23 VAL 36 HG23 VAL 36 189.683 1.942 7.700 855 H PHE 37 HN PHE 37 190.185 1.968 12.155 856 HA PHE 37 HA PHE 37 192.742 2.689 13.376 857 HB2 PHE 37 HB2 PHE 37 191.628 3.412 15.454 858 HB3 PHE 37 HB1 PHE 37 191.206 4.445 14.091 859 HD1 PHE 37 HD1 PHE 37 189.992 1.988 16.494 860 HD2 PHE 37 HD2 PHE 37 188.968 4.414 13.151 861 HE1 PHE 37 HE1 PHE 37 187.606 1.609 16.955 862 HE2 PHE 37 HE2 PHE 37 186.580 4.042 13.608 863 HZ PHE 37 HZ PHE 37 185.896 2.638 15.512 864 H HIS 38 HN HIS 38 193.173 1.465 15.372 865 HA HIS 38 HA HIS 38 192.170 -1.260 15.097 866 HB2 HIS 38 HB2 HIS 38 194.599 -0.917 15.200 867 HB3 HIS 38 HB1 HIS 38 194.431 -0.156 16.779 868 HD1 HIS 38 HD1 HIS 38 194.299 -1.673 18.795 869 HD2 HIS 38 HD2 HIS 38 194.111 -3.741 15.196 870 HE1 HIS 38 HE1 HIS 38 194.503 -4.104 19.406 871 HE2 HIS 38 HE2 HIS 38 194.386 -5.338 17.212 872 H THR 39 HN THR 39 191.185 -2.411 16.739 873 HA THR 39 HA THR 39 190.055 -0.764 18.895 874 HB THR 39 HB THR 39 188.328 -2.507 19.105 875 HG1 THR 39 HG1 THR 39 189.524 -3.673 16.795 876 HG21 THR 39 HG21 THR 39 187.931 -0.618 17.604 877 HG22 THR 39 HG22 THR 39 187.179 -2.086 16.979 878 HG23 THR 39 HG23 THR 39 188.689 -1.501 16.280 879 H THR 40 HN THR 40 190.820 -1.020 20.878 880 HA THR 40 HA THR 40 192.469 -3.342 21.500 881 HB THR 40 HB THR 40 193.062 -2.131 23.561 882 HG1 THR 40 HG1 THR 40 191.073 -0.981 23.813 883 HG21 THR 40 HG21 THR 40 194.265 -0.267 22.511 884 HG22 THR 40 HG22 THR 40 193.268 -0.438 21.067 885 HG23 THR 40 HG23 THR 40 194.371 -1.732 21.534 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 171.928 0.858 15.891 2 H2 ALA 1 HT2 ALA 1 171.869 1.128 14.222 3 H3 ALA 1 HT3 ALA 1 173.360 0.895 14.988 4 HA ALA 1 HA ALA 1 172.773 -1.366 15.540 5 HB1 ALA 1 HB1 ALA 1 170.250 -0.803 13.987 6 HB2 ALA 1 HB2 ALA 1 170.361 -1.009 15.736 7 HB3 ALA 1 HB3 ALA 1 170.731 -2.359 14.664 8 HA PRO 2 HA PRO 2 175.067 -1.255 11.572 9 HB2 PRO 2 HB2 PRO 2 176.076 -3.768 12.808 10 HB3 PRO 2 HB1 PRO 2 176.975 -2.434 12.070 11 HG2 PRO 2 HG2 PRO 2 176.932 -2.724 14.707 12 HG3 PRO 2 HG1 PRO 2 176.869 -1.115 13.959 13 HD2 PRO 2 HD2 PRO 2 174.679 -2.696 15.215 14 HD3 PRO 2 HD1 PRO 2 174.962 -0.943 15.228 15 H VAL 3 HN VAL 3 174.205 -2.030 9.760 16 HA VAL 3 HA VAL 3 172.884 -4.664 9.843 17 HB VAL 3 HB VAL 3 171.364 -3.867 8.074 18 HG11 VAL 3 HG11 VAL 3 171.365 -2.167 10.565 19 HG12 VAL 3 HG12 VAL 3 170.648 -3.769 10.396 20 HG13 VAL 3 HG13 VAL 3 169.990 -2.409 9.489 21 HG21 VAL 3 HG21 VAL 3 172.785 -2.148 7.097 22 HG22 VAL 3 HG22 VAL 3 172.653 -1.184 8.569 23 HG23 VAL 3 HG23 VAL 3 171.227 -1.470 7.571 24 HA PRO 4 HA PRO 4 175.698 -5.795 6.613 25 HB2 PRO 4 HB2 PRO 4 174.451 -7.982 5.652 26 HB3 PRO 4 HB1 PRO 4 175.218 -7.966 7.247 27 HG2 PRO 4 HG2 PRO 4 172.331 -7.678 6.551 28 HG3 PRO 4 HG1 PRO 4 173.085 -8.601 7.865 29 HD2 PRO 4 HD2 PRO 4 171.948 -6.152 8.223 30 HD3 PRO 4 HD1 PRO 4 173.275 -6.772 9.223 31 H VAL 5 HN VAL 5 176.004 -5.367 4.485 32 HA VAL 5 HA VAL 5 173.866 -4.078 3.042 33 HB VAL 5 HB VAL 5 176.694 -4.675 2.155 34 HG11 VAL 5 HG11 VAL 5 174.663 -2.753 1.019 35 HG12 VAL 5 HG12 VAL 5 175.158 -4.279 0.287 36 HG13 VAL 5 HG13 VAL 5 176.323 -2.965 0.460 37 HG21 VAL 5 HG21 VAL 5 177.123 -2.311 2.703 38 HG22 VAL 5 HG22 VAL 5 176.686 -3.264 4.122 39 HG23 VAL 5 HG23 VAL 5 175.500 -2.190 3.380 40 H THR 6 HN THR 6 172.373 -5.333 2.110 41 HA THR 6 HA THR 6 172.746 -7.998 1.302 42 HB THR 6 HB THR 6 170.598 -7.776 0.119 43 HG1 THR 6 HG1 THR 6 170.934 -5.602 -0.635 44 HG21 THR 6 HG21 THR 6 170.584 -8.140 2.538 45 HG22 THR 6 HG22 THR 6 169.221 -7.135 2.045 46 HG23 THR 6 HG23 THR 6 170.630 -6.398 2.808 47 H LYS 7 HN LYS 7 173.182 -4.958 -0.360 48 HA LYS 7 HA LYS 7 174.698 -6.224 -2.436 49 HB2 LYS 7 HB2 LYS 7 172.270 -6.500 -3.148 50 HB3 LYS 7 HB1 LYS 7 172.214 -4.750 -3.310 51 HG2 LYS 7 HG2 LYS 7 173.956 -4.822 -4.994 52 HG3 LYS 7 HG1 LYS 7 174.097 -6.570 -4.797 53 HD2 LYS 7 HD2 LYS 7 171.723 -6.789 -5.492 54 HD3 LYS 7 HD1 LYS 7 171.692 -5.052 -5.804 55 HE2 LYS 7 HE2 LYS 7 172.062 -6.282 -7.866 56 HE3 LYS 7 HE1 LYS 7 173.483 -5.324 -7.455 57 HZ1 LYS 7 HZ1 LYS 7 173.165 -8.231 -6.936 58 HZ2 LYS 7 HZ2 LYS 7 174.538 -7.306 -6.586 59 HZ3 LYS 7 HZ3 LYS 7 174.073 -7.554 -8.193 60 H LEU 8 HN LEU 8 176.153 -4.825 -3.306 61 HA LEU 8 HA LEU 8 175.851 -1.980 -2.591 62 HB2 LEU 8 HB2 LEU 8 177.644 -3.415 -1.397 63 HB3 LEU 8 HB1 LEU 8 178.507 -3.341 -2.920 64 HG LEU 8 HG LEU 8 179.361 -1.658 -1.418 65 HD11 LEU 8 HD11 LEU 8 179.175 0.283 -2.808 66 HD12 LEU 8 HD12 LEU 8 177.677 -0.312 -3.518 67 HD13 LEU 8 HD13 LEU 8 179.196 -1.145 -3.841 68 HD21 LEU 8 HD21 LEU 8 176.530 -0.634 -1.300 69 HD22 LEU 8 HD22 LEU 8 177.939 0.178 -0.620 70 HD23 LEU 8 HD23 LEU 8 177.429 -1.385 0.017 71 H VAL 9 HN VAL 9 175.366 -0.905 -4.396 72 HA VAL 9 HA VAL 9 176.708 -1.667 -6.901 73 HB VAL 9 HB VAL 9 174.934 -0.410 -8.058 74 HG11 VAL 9 HG11 VAL 9 173.105 -1.979 -7.618 75 HG12 VAL 9 HG12 VAL 9 173.907 -2.490 -6.132 76 HG13 VAL 9 HG13 VAL 9 174.664 -2.801 -7.695 77 HG21 VAL 9 HG21 VAL 9 173.778 -0.058 -5.294 78 HG22 VAL 9 HG22 VAL 9 172.956 0.338 -6.803 79 HG23 VAL 9 HG23 VAL 9 174.411 1.217 -6.334 80 H CYS 10 HN CYS 10 176.983 0.278 -8.433 81 HA CYS 10 HA CYS 10 177.642 2.765 -7.085 82 HB2 CYS 10 HB2 CYS 10 179.690 1.440 -6.823 83 HB3 CYS 10 HB1 CYS 10 179.736 1.150 -8.558 84 HG CYS 10 HG CYS 10 180.264 4.115 -6.943 85 H ASP 11 HN ASP 11 177.839 4.537 -8.488 86 HA ASP 11 HA ASP 11 176.996 3.993 -11.261 87 HB2 ASP 11 HB2 ASP 11 176.336 6.387 -9.530 88 HB3 ASP 11 HB1 ASP 11 175.856 6.185 -11.213 89 H GLY 12 HN GLY 12 178.655 4.291 -12.592 90 HA2 GLY 12 HA2 GLY 12 180.909 5.914 -11.950 91 HA3 GLY 12 HA1 GLY 12 180.596 5.139 -13.495 92 H ASP 13 HN ASP 13 177.887 6.581 -13.467 93 HA ASP 13 HA ASP 13 178.547 8.670 -15.178 94 HB2 ASP 13 HB2 ASP 13 176.065 8.363 -13.474 95 HB3 ASP 13 HB1 ASP 13 176.223 9.444 -14.855 96 H THR 14 HN THR 14 177.172 9.113 -11.914 97 HA THR 14 HA THR 14 178.472 11.730 -11.783 98 HB THR 14 HB THR 14 177.046 12.134 -9.813 99 HG1 THR 14 HG1 THR 14 175.941 9.572 -10.402 100 HG21 THR 14 HG21 THR 14 175.537 11.107 -12.220 101 HG22 THR 14 HG22 THR 14 176.208 12.727 -12.030 102 HG23 THR 14 HG23 THR 14 174.891 12.190 -10.988 103 H TYR 15 HN TYR 15 179.542 8.803 -11.170 104 HA TYR 15 HA TYR 15 181.125 7.896 -9.817 105 HB2 TYR 15 HB2 TYR 15 181.578 10.749 -8.919 106 HB3 TYR 15 HB1 TYR 15 182.699 9.405 -8.727 107 HD1 TYR 15 HD1 TYR 15 183.369 8.205 -10.986 108 HD2 TYR 15 HD2 TYR 15 181.863 12.174 -10.714 109 HE1 TYR 15 HE1 TYR 15 184.377 8.730 -13.167 110 HE2 TYR 15 HE2 TYR 15 182.866 12.711 -12.894 111 HH TYR 15 HH TYR 15 184.065 10.338 -15.000 112 H LYS 16 HN LYS 16 178.337 8.380 -8.836 113 HA LYS 16 HA LYS 16 178.733 8.670 -5.961 114 HB2 LYS 16 HB2 LYS 16 176.295 8.650 -5.814 115 HB3 LYS 16 HB1 LYS 16 176.837 9.831 -6.998 116 HG2 LYS 16 HG2 LYS 16 176.320 8.248 -8.798 117 HG3 LYS 16 HG1 LYS 16 175.743 7.091 -7.597 118 HD2 LYS 16 HD2 LYS 16 174.028 8.687 -6.887 119 HD3 LYS 16 HD1 LYS 16 174.608 9.845 -8.086 120 HE2 LYS 16 HE2 LYS 16 174.055 8.266 -9.873 121 HE3 LYS 16 HE1 LYS 16 173.474 7.112 -8.672 122 HZ1 LYS 16 HZ1 LYS 16 172.335 9.809 -9.171 123 HZ2 LYS 16 HZ2 LYS 16 171.777 8.704 -8.020 124 HZ3 LYS 16 HZ3 LYS 16 171.653 8.342 -9.667 125 H CYS 17 HN CYS 17 178.286 7.069 -4.462 126 HA CYS 17 HA CYS 17 178.044 4.346 -5.567 127 HB2 CYS 17 HB2 CYS 17 180.242 4.759 -4.558 128 HB3 CYS 17 HB1 CYS 17 179.469 5.243 -3.053 129 HG CYS 17 HG CYS 17 178.361 2.679 -2.595 130 H THR 18 HN THR 18 176.215 3.344 -5.086 131 HA THR 18 HA THR 18 174.660 4.267 -2.768 132 HB THR 18 HB THR 18 173.715 2.629 -5.129 133 HG1 THR 18 HG1 THR 18 173.622 4.508 -6.085 134 HG21 THR 18 HG21 THR 18 171.468 3.171 -4.296 135 HG22 THR 18 HG22 THR 18 172.183 3.991 -2.908 136 HG23 THR 18 HG23 THR 18 172.392 2.251 -3.109 137 H ALA 19 HN ALA 19 173.660 2.730 -1.380 138 HA ALA 19 HA ALA 19 174.621 -0.027 -1.556 139 HB1 ALA 19 HB1 ALA 19 175.419 -0.059 0.714 140 HB2 ALA 19 HB2 ALA 19 174.927 1.617 0.952 141 HB3 ALA 19 HB3 ALA 19 176.238 1.233 -0.163 142 H TYR 20 HN TYR 20 173.163 -1.505 -0.886 143 HA TYR 20 HA TYR 20 170.580 -0.500 0.030 144 HB2 TYR 20 HB2 TYR 20 171.423 -3.215 -1.000 145 HB3 TYR 20 HB1 TYR 20 169.788 -2.813 -0.485 146 HD1 TYR 20 HD1 TYR 20 168.408 -1.284 -1.814 147 HD2 TYR 20 HD2 TYR 20 172.295 -2.430 -3.107 148 HE1 TYR 20 HE1 TYR 20 167.892 -0.463 -4.074 149 HE2 TYR 20 HE2 TYR 20 171.790 -1.612 -5.369 150 HH TYR 20 HH TYR 20 169.097 0.327 -6.066 151 H LEU 21 HN LEU 21 170.188 -0.437 2.130 152 HA LEU 21 HA LEU 21 171.727 -2.045 3.982 153 HB2 LEU 21 HB2 LEU 21 169.522 -0.044 4.480 154 HB3 LEU 21 HB1 LEU 21 170.516 -0.788 5.718 155 HG LEU 21 HG LEU 21 171.486 1.084 3.557 156 HD11 LEU 21 HD11 LEU 21 171.913 2.616 5.415 157 HD12 LEU 21 HD12 LEU 21 171.196 1.456 6.535 158 HD13 LEU 21 HD13 LEU 21 170.201 2.211 5.290 159 HD21 LEU 21 HD21 LEU 21 173.632 0.992 4.741 160 HD22 LEU 21 HD22 LEU 21 173.173 -0.582 4.093 161 HD23 LEU 21 HD23 LEU 21 172.981 -0.248 5.812 162 H ASP 22 HN ASP 22 170.799 -3.432 5.566 163 HA ASP 22 HA ASP 22 168.408 -4.813 4.588 164 HB2 ASP 22 HB2 ASP 22 170.483 -6.134 4.932 165 HB3 ASP 22 HB1 ASP 22 170.440 -5.715 6.641 166 H TYR 23 HN TYR 23 168.341 -2.282 6.103 167 HA TYR 23 HA TYR 23 167.668 -2.622 8.783 168 HB2 TYR 23 HB2 TYR 23 168.041 -0.426 7.743 169 HB3 TYR 23 HB1 TYR 23 166.554 -0.607 6.819 170 HD1 TYR 23 HD1 TYR 23 164.415 -0.211 7.825 171 HD2 TYR 23 HD2 TYR 23 167.953 -0.077 10.183 172 HE1 TYR 23 HE1 TYR 23 163.146 0.827 9.658 173 HE2 TYR 23 HE2 TYR 23 166.695 0.961 12.023 174 HH TYR 23 HH TYR 23 163.306 1.072 12.101 175 H GLY 24 HN GLY 24 165.307 -2.089 6.158 176 HA2 GLY 24 HA2 GLY 24 163.482 -3.919 7.593 177 HA3 GLY 24 HA1 GLY 24 162.926 -2.426 6.854 178 H ASP 25 HN ASP 25 161.834 -2.790 5.053 179 HA ASP 25 HA ASP 25 161.827 -5.209 3.644 180 HB2 ASP 25 HB2 ASP 25 159.978 -3.586 3.554 181 HB3 ASP 25 HB1 ASP 25 161.006 -2.463 2.669 182 H GLY 26 HN GLY 26 163.882 -2.421 3.399 183 HA2 GLY 26 HA2 GLY 26 166.081 -2.798 2.402 184 HA3 GLY 26 HA1 GLY 26 165.276 -3.719 1.142 185 H LYS 27 HN LYS 27 163.952 -0.727 2.346 186 HA LYS 27 HA LYS 27 164.225 0.434 -0.307 187 HB2 LYS 27 HB2 LYS 27 162.768 1.435 2.146 188 HB3 LYS 27 HB1 LYS 27 162.717 2.189 0.559 189 HG2 LYS 27 HG2 LYS 27 161.672 0.193 -0.369 190 HG3 LYS 27 HG1 LYS 27 161.742 -0.585 1.214 191 HD2 LYS 27 HD2 LYS 27 160.289 1.149 2.137 192 HD3 LYS 27 HD1 LYS 27 160.231 1.947 0.563 193 HE2 LYS 27 HE2 LYS 27 158.229 0.609 0.941 194 HE3 LYS 27 HE1 LYS 27 159.173 -0.029 -0.405 195 HZ1 LYS 27 HZ1 LYS 27 159.178 -1.098 2.367 196 HZ2 LYS 27 HZ2 LYS 27 160.073 -1.715 1.070 197 HZ3 LYS 27 HZ3 LYS 27 158.383 -1.793 1.044 198 H TRP 28 HN TRP 28 165.291 1.004 2.999 199 HA TRP 28 HA TRP 28 166.494 3.525 2.547 200 HB2 TRP 28 HB2 TRP 28 167.255 1.459 4.623 201 HB3 TRP 28 HB1 TRP 28 167.597 3.185 4.684 202 HD1 TRP 28 HD1 TRP 28 164.634 0.732 4.933 203 HE1 TRP 28 HE1 TRP 28 162.744 1.882 6.248 204 HE3 TRP 28 HE3 TRP 28 166.687 5.391 5.398 205 HZ2 TRP 28 HZ2 TRP 28 162.197 4.426 7.339 206 HZ3 TRP 28 HZ3 TRP 28 165.414 7.127 6.593 207 HH2 TRP 28 HH2 TRP 28 163.215 6.652 7.542 208 H VAL 29 HN VAL 29 168.373 4.056 1.607 209 HA VAL 29 HA VAL 29 170.421 1.980 1.282 210 HB VAL 29 HB VAL 29 170.832 2.578 -1.022 211 HG11 VAL 29 HG11 VAL 29 169.198 0.825 -0.610 212 HG12 VAL 29 HG12 VAL 29 168.771 1.744 -2.053 213 HG13 VAL 29 HG13 VAL 29 167.908 2.024 -0.541 214 HG21 VAL 29 HG21 VAL 29 170.267 4.921 -0.993 215 HG22 VAL 29 HG22 VAL 29 168.570 4.546 -0.687 216 HG23 VAL 29 HG23 VAL 29 169.305 4.113 -2.230 217 H ALA 30 HN ALA 30 172.473 2.657 1.566 218 HA ALA 30 HA ALA 30 172.878 5.389 2.443 219 HB1 ALA 30 HB1 ALA 30 174.769 3.040 2.331 220 HB2 ALA 30 HB2 ALA 30 173.879 3.608 3.743 221 HB3 ALA 30 HB3 ALA 30 175.144 4.612 3.035 222 H GLN 31 HN GLN 31 173.988 6.954 1.368 223 HA GLN 31 HA GLN 31 175.179 6.224 -1.225 224 HB2 GLN 31 HB2 GLN 31 172.864 7.411 -1.248 225 HB3 GLN 31 HB1 GLN 31 173.781 8.846 -0.811 226 HG2 GLN 31 HG2 GLN 31 175.121 8.627 -2.824 227 HG3 GLN 31 HG1 GLN 31 174.255 7.153 -3.252 228 HE21 GLN 31 HE21 GLN 31 172.746 10.001 -1.861 229 HE22 GLN 31 HE22 GLN 31 171.830 10.425 -3.261 230 H TRP 32 HN TRP 32 176.941 7.471 -1.919 231 HA TRP 32 HA TRP 32 177.949 9.689 -0.461 232 HB2 TRP 32 HB2 TRP 32 179.968 8.640 0.465 233 HB3 TRP 32 HB1 TRP 32 178.511 7.959 1.180 234 HD1 TRP 32 HD1 TRP 32 181.331 7.061 -1.272 235 HE1 TRP 32 HE1 TRP 32 181.446 4.497 -1.471 236 HE3 TRP 32 HE3 TRP 32 177.179 5.846 1.451 237 HZ2 TRP 32 HZ2 TRP 32 179.973 2.256 -0.590 238 HZ3 TRP 32 HZ3 TRP 32 176.602 3.470 1.725 239 HH2 TRP 32 HH2 TRP 32 177.971 1.713 0.724 240 H ASP 33 HN ASP 33 179.274 10.831 -1.741 241 HA ASP 33 HA ASP 33 179.734 10.040 -4.405 242 HB2 ASP 33 HB2 ASP 33 181.041 12.257 -2.811 243 HB3 ASP 33 HB1 ASP 33 181.104 12.090 -4.563 244 H THR 34 HN THR 34 181.788 9.773 -5.491 245 HA THR 34 HA THR 34 184.085 9.027 -3.882 246 HB THR 34 HB THR 34 184.314 6.801 -4.929 247 HG1 THR 34 HG1 THR 34 182.954 6.180 -6.432 248 HG21 THR 34 HG21 THR 34 183.312 6.996 -2.702 249 HG22 THR 34 HG22 THR 34 182.603 5.659 -3.607 250 HG23 THR 34 HG23 THR 34 181.717 7.174 -3.433 251 H ALA 35 HN ALA 35 185.788 8.000 -5.549 252 HA ALA 35 HA ALA 35 185.759 9.698 -7.957 253 HB1 ALA 35 HB1 ALA 35 187.309 10.604 -6.302 254 HB2 ALA 35 HB2 ALA 35 188.171 9.999 -7.717 255 HB3 ALA 35 HB3 ALA 35 188.145 9.053 -6.228 256 H VAL 36 HN VAL 36 185.457 8.363 -9.623 257 HA VAL 36 HA VAL 36 186.760 5.734 -9.606 258 HB VAL 36 HB VAL 36 184.646 6.759 -11.506 259 HG11 VAL 36 HG11 VAL 36 185.700 3.978 -11.002 260 HG12 VAL 36 HG12 VAL 36 185.996 4.962 -12.435 261 HG13 VAL 36 HG13 VAL 36 184.366 4.390 -12.080 262 HG21 VAL 36 HG21 VAL 36 184.350 5.006 -9.068 263 HG22 VAL 36 HG22 VAL 36 183.073 5.378 -10.226 264 HG23 VAL 36 HG23 VAL 36 183.768 6.663 -9.238 265 H PHE 37 HN PHE 37 188.301 5.178 -11.051 266 HA PHE 37 HA PHE 37 188.838 6.921 -13.330 267 HB2 PHE 37 HB2 PHE 37 191.257 7.008 -12.777 268 HB3 PHE 37 HB1 PHE 37 190.257 7.850 -11.598 269 HD1 PHE 37 HD1 PHE 37 190.017 7.021 -9.348 270 HD2 PHE 37 HD2 PHE 37 192.385 4.940 -12.208 271 HE1 PHE 37 HE1 PHE 37 191.027 5.691 -7.540 272 HE2 PHE 37 HE2 PHE 37 193.397 3.607 -10.406 273 HZ PHE 37 HZ PHE 37 192.719 3.982 -8.068 274 H HIS 38 HN HIS 38 190.128 5.945 -14.968 275 HA HIS 38 HA HIS 38 189.781 3.080 -15.092 276 HB2 HIS 38 HB2 HIS 38 189.301 4.482 -17.055 277 HB3 HIS 38 HB1 HIS 38 190.982 5.000 -17.099 278 HD1 HIS 38 HD1 HIS 38 192.611 3.524 -18.320 279 HD2 HIS 38 HD2 HIS 38 188.922 1.704 -17.736 280 HE1 HIS 38 HE1 HIS 38 192.685 1.407 -19.675 281 HE2 HIS 38 HE2 HIS 38 190.441 0.320 -19.308 282 H THR 39 HN THR 39 191.426 1.550 -15.394 283 HA THR 39 HA THR 39 194.130 2.458 -14.650 284 HB THR 39 HB THR 39 194.455 0.337 -13.444 285 HG1 THR 39 HG1 THR 39 191.734 -0.065 -14.168 286 HG21 THR 39 HG21 THR 39 192.033 1.888 -12.518 287 HG22 THR 39 HG22 THR 39 193.716 2.305 -12.196 288 HG23 THR 39 HG23 THR 39 193.026 0.834 -11.512 289 H THR 40 HN THR 40 195.765 0.597 -15.118 290 HA THR 40 HA THR 40 195.106 -0.778 -17.621 291 HB THR 40 HB THR 40 197.242 -0.090 -18.638 292 HG1 THR 40 HG1 THR 40 198.322 0.425 -16.640 293 HG21 THR 40 HG21 THR 40 195.216 1.166 -19.176 294 HG22 THR 40 HG22 THR 40 196.623 2.228 -19.155 295 HG23 THR 40 HG23 THR 40 195.497 2.229 -17.798 296 H1 ALA 1 HT1 ALA 1 199.648 -2.281 1.388 297 H2 ALA 1 HT2 ALA 1 198.250 -2.086 2.319 298 H3 ALA 1 HT3 ALA 1 198.213 -1.759 0.659 299 HA ALA 1 HA ALA 1 198.624 -4.067 0.149 300 HB1 ALA 1 HB1 ALA 1 198.486 -4.471 3.133 301 HB2 ALA 1 HB2 ALA 1 199.940 -4.584 2.143 302 HB3 ALA 1 HB3 ALA 1 198.627 -5.740 1.916 303 HA PRO 2 HA PRO 2 194.115 -3.238 0.197 304 HB2 PRO 2 HB2 PRO 2 194.365 -5.202 -2.025 305 HB3 PRO 2 HB1 PRO 2 193.509 -3.653 -1.981 306 HG2 PRO 2 HG2 PRO 2 195.803 -3.880 -3.294 307 HG3 PRO 2 HG1 PRO 2 195.418 -2.415 -2.370 308 HD2 PRO 2 HD2 PRO 2 197.275 -4.642 -1.684 309 HD3 PRO 2 HD1 PRO 2 197.421 -2.903 -1.358 310 H VAL 3 HN VAL 3 192.795 -4.309 1.517 311 HA VAL 3 HA VAL 3 193.068 -7.237 1.710 312 HB VAL 3 HB VAL 3 192.321 -7.071 4.054 313 HG11 VAL 3 HG11 VAL 3 194.767 -5.426 3.413 314 HG12 VAL 3 HG12 VAL 3 194.701 -7.181 3.564 315 HG13 VAL 3 HG13 VAL 3 194.407 -6.164 4.974 316 HG21 VAL 3 HG21 VAL 3 191.080 -4.980 3.910 317 HG22 VAL 3 HG22 VAL 3 192.579 -4.095 3.628 318 HG23 VAL 3 HG23 VAL 3 192.303 -4.890 5.177 319 HA PRO 4 HA PRO 4 188.786 -7.367 0.585 320 HB2 PRO 4 HB2 PRO 4 188.175 -9.875 1.359 321 HB3 PRO 4 HB1 PRO 4 189.232 -9.552 -0.024 322 HG2 PRO 4 HG2 PRO 4 189.970 -10.323 2.763 323 HG3 PRO 4 HG1 PRO 4 190.646 -10.889 1.223 324 HD2 PRO 4 HD2 PRO 4 191.844 -8.995 2.771 325 HD3 PRO 4 HD1 PRO 4 192.028 -9.082 1.009 326 H VAL 5 HN VAL 5 186.841 -6.906 1.486 327 HA VAL 5 HA VAL 5 186.735 -6.492 4.338 328 HB VAL 5 HB VAL 5 184.585 -6.065 2.256 329 HG11 VAL 5 HG11 VAL 5 184.798 -5.015 5.077 330 HG12 VAL 5 HG12 VAL 5 183.698 -6.282 4.530 331 HG13 VAL 5 HG13 VAL 5 183.523 -4.637 3.918 332 HG21 VAL 5 HG21 VAL 5 185.230 -3.691 2.404 333 HG22 VAL 5 HG22 VAL 5 186.531 -4.706 1.779 334 HG23 VAL 5 HG23 VAL 5 186.577 -4.140 3.449 335 H THR 6 HN THR 6 186.403 -8.214 5.600 336 HA THR 6 HA THR 6 185.122 -10.592 4.823 337 HB THR 6 HB THR 6 185.088 -11.172 7.214 338 HG1 THR 6 HG1 THR 6 184.601 -9.037 7.999 339 HG21 THR 6 HG21 THR 6 187.165 -11.464 5.956 340 HG22 THR 6 HG22 THR 6 187.499 -11.020 7.629 341 HG23 THR 6 HG23 THR 6 187.644 -9.813 6.351 342 H LYS 7 HN LYS 7 183.921 -7.632 6.237 343 HA LYS 7 HA LYS 7 181.220 -8.324 5.579 344 HB2 LYS 7 HB2 LYS 7 181.652 -9.458 7.815 345 HB3 LYS 7 HB1 LYS 7 181.799 -7.846 8.501 346 HG2 LYS 7 HG2 LYS 7 179.520 -7.333 7.856 347 HG3 LYS 7 HG1 LYS 7 179.366 -8.912 7.084 348 HD2 LYS 7 HD2 LYS 7 179.796 -9.973 9.287 349 HD3 LYS 7 HD1 LYS 7 179.798 -8.368 10.020 350 HE2 LYS 7 HE2 LYS 7 177.632 -9.432 10.304 351 HE3 LYS 7 HE1 LYS 7 177.496 -8.024 9.253 352 HZ1 LYS 7 HZ1 LYS 7 177.658 -10.842 8.331 353 HZ2 LYS 7 HZ2 LYS 7 177.483 -9.484 7.340 354 HZ3 LYS 7 HZ3 LYS 7 176.244 -9.915 8.405 355 H LEU 8 HN LEU 8 180.008 -6.519 5.252 356 HA LEU 8 HA LEU 8 181.203 -3.951 6.074 357 HB2 LEU 8 HB2 LEU 8 181.224 -4.630 3.577 358 HB3 LEU 8 HB1 LEU 8 179.506 -4.288 3.622 359 HG LEU 8 HG LEU 8 180.694 -2.379 2.747 360 HD11 LEU 8 HD11 LEU 8 179.849 -0.661 4.186 361 HD12 LEU 8 HD12 LEU 8 179.813 -1.765 5.560 362 HD13 LEU 8 HD13 LEU 8 178.716 -2.012 4.201 363 HD21 LEU 8 HD21 LEU 8 182.233 -2.423 5.336 364 HD22 LEU 8 HD22 LEU 8 182.316 -1.149 4.120 365 HD23 LEU 8 HD23 LEU 8 182.870 -2.777 3.731 366 H VAL 9 HN VAL 9 179.999 -3.158 7.677 367 HA VAL 9 HA VAL 9 177.075 -3.450 7.528 368 HB VAL 9 HB VAL 9 177.051 -2.930 9.935 369 HG11 VAL 9 HG11 VAL 9 178.029 -5.035 10.717 370 HG12 VAL 9 HG12 VAL 9 178.894 -5.197 9.189 371 HG13 VAL 9 HG13 VAL 9 177.131 -5.253 9.214 372 HG21 VAL 9 HG21 VAL 9 180.057 -2.950 9.677 373 HG22 VAL 9 HG22 VAL 9 179.162 -2.904 11.196 374 HG23 VAL 9 HG23 VAL 9 179.048 -1.556 10.065 375 H CYS 10 HN CYS 10 175.898 -1.568 8.660 376 HA CYS 10 HA CYS 10 177.160 1.020 8.278 377 HB2 CYS 10 HB2 CYS 10 176.264 0.514 6.051 378 HB3 CYS 10 HB1 CYS 10 174.674 0.222 6.748 379 HG CYS 10 HG CYS 10 176.302 3.215 6.499 380 H ASP 11 HN ASP 11 176.105 2.715 9.357 381 HA ASP 11 HA ASP 11 173.968 1.847 11.193 382 HB2 ASP 11 HB2 ASP 11 176.149 3.888 11.678 383 HB3 ASP 11 HB1 ASP 11 174.856 3.493 12.807 384 H GLY 12 HN GLY 12 172.091 2.684 10.565 385 HA2 GLY 12 HA2 GLY 12 171.881 5.015 8.937 386 HA3 GLY 12 HA1 GLY 12 170.548 4.145 9.681 387 H ASP 13 HN ASP 13 172.015 4.532 12.348 388 HA ASP 13 HA ASP 13 170.529 6.680 13.296 389 HB2 ASP 13 HB2 ASP 13 173.104 5.552 14.415 390 HB3 ASP 13 HB1 ASP 13 171.982 6.587 15.292 391 H THR 14 HN THR 14 174.086 6.679 13.006 392 HA THR 14 HA THR 14 174.009 9.590 12.723 393 HB THR 14 HB THR 14 176.446 9.506 13.081 394 HG1 THR 14 HG1 THR 14 176.042 6.705 13.440 395 HG21 THR 14 HG21 THR 14 174.859 7.956 15.132 396 HG22 THR 14 HG22 THR 14 174.967 9.713 15.015 397 HG23 THR 14 HG23 THR 14 176.398 8.767 15.421 398 H TYR 15 HN TYR 15 173.621 7.247 10.614 399 HA TYR 15 HA TYR 15 173.957 6.992 8.382 400 HB2 TYR 15 HB2 TYR 15 174.972 9.838 8.501 401 HB3 TYR 15 HB1 TYR 15 174.430 8.983 7.061 402 HD1 TYR 15 HD1 TYR 15 171.960 8.049 7.203 403 HD2 TYR 15 HD2 TYR 15 173.481 11.231 9.583 404 HE1 TYR 15 HE1 TYR 15 169.667 8.850 7.586 405 HE2 TYR 15 HE2 TYR 15 171.191 12.041 9.974 406 HH TYR 15 HH TYR 15 168.439 10.202 9.234 407 H LYS 16 HN LYS 16 176.154 6.476 10.351 408 HA LYS 16 HA LYS 16 178.545 6.951 8.750 409 HB2 LYS 16 HB2 LYS 16 179.774 6.070 10.667 410 HB3 LYS 16 HB1 LYS 16 178.668 7.342 11.168 411 HG2 LYS 16 HG2 LYS 16 177.080 5.638 11.940 412 HG3 LYS 16 HG1 LYS 16 178.222 4.378 11.468 413 HD2 LYS 16 HD2 LYS 16 179.863 5.278 13.047 414 HD3 LYS 16 HD1 LYS 16 178.722 6.540 13.516 415 HE2 LYS 16 HE2 LYS 16 177.163 4.827 14.311 416 HE3 LYS 16 HE1 LYS 16 178.307 3.569 13.843 417 HZ1 LYS 16 HZ1 LYS 16 178.792 5.675 15.881 418 HZ2 LYS 16 HZ2 LYS 16 179.890 4.470 15.433 419 HZ3 LYS 16 HZ3 LYS 16 178.443 4.051 16.202 420 H CYS 17 HN CYS 17 179.823 5.329 7.887 421 HA CYS 17 HA CYS 17 178.550 2.674 7.736 422 HB2 CYS 17 HB2 CYS 17 178.504 3.862 5.588 423 HB3 CYS 17 HB1 CYS 17 180.250 4.073 5.659 424 HG CYS 17 HG CYS 17 180.766 1.294 5.523 425 H THR 18 HN THR 18 179.649 1.098 8.679 426 HA THR 18 HA THR 18 182.529 1.462 9.143 427 HB THR 18 HB THR 18 180.635 -0.457 10.515 428 HG1 THR 18 HG1 THR 18 180.121 1.245 11.651 429 HG21 THR 18 HG21 THR 18 182.465 -0.729 12.131 430 HG22 THR 18 HG22 THR 18 183.485 0.321 11.147 431 HG23 THR 18 HG23 THR 18 182.953 -1.235 10.512 432 H ALA 19 HN ALA 19 183.970 -0.299 8.805 433 HA ALA 19 HA ALA 19 182.965 -2.539 7.216 434 HB1 ALA 19 HB1 ALA 19 184.594 -2.236 5.471 435 HB2 ALA 19 HB2 ALA 19 185.279 -0.838 6.300 436 HB3 ALA 19 HB3 ALA 19 183.648 -0.756 5.634 437 H TYR 20 HN TYR 20 183.989 -4.422 7.613 438 HA TYR 20 HA TYR 20 186.115 -4.379 9.613 439 HB2 TYR 20 HB2 TYR 20 184.419 -6.640 8.541 440 HB3 TYR 20 HB1 TYR 20 185.672 -6.834 9.762 441 HD1 TYR 20 HD1 TYR 20 185.360 -5.923 12.018 442 HD2 TYR 20 HD2 TYR 20 182.292 -5.645 9.084 443 HE1 TYR 20 HE1 TYR 20 183.732 -5.389 13.781 444 HE2 TYR 20 HE2 TYR 20 180.655 -5.109 10.839 445 HH TYR 20 HH TYR 20 181.556 -4.268 14.000 446 H LEU 21 HN LEU 21 188.148 -4.414 8.953 447 HA LEU 21 HA LEU 21 188.835 -5.329 6.294 448 HB2 LEU 21 HB2 LEU 21 190.574 -4.230 8.503 449 HB3 LEU 21 HB1 LEU 21 191.100 -4.545 6.861 450 HG LEU 21 HG LEU 21 189.044 -2.499 7.700 451 HD11 LEU 21 HD11 LEU 21 190.715 -0.876 6.958 452 HD12 LEU 21 HD12 LEU 21 191.849 -2.188 6.638 453 HD13 LEU 21 HD13 LEU 21 191.319 -1.864 8.289 454 HD21 LEU 21 HD21 LEU 21 189.098 -1.797 5.352 455 HD22 LEU 21 HD22 LEU 21 188.501 -3.447 5.528 456 HD23 LEU 21 HD23 LEU 21 190.150 -3.161 4.973 457 H ASP 22 HN ASP 22 190.439 -6.919 5.852 458 HA ASP 22 HA ASP 22 190.452 -9.081 7.830 459 HB2 ASP 22 HB2 ASP 22 189.617 -9.571 5.543 460 HB3 ASP 22 HB1 ASP 22 191.203 -9.157 4.898 461 H TYR 23 HN TYR 23 192.197 -6.705 7.976 462 HA TYR 23 HA TYR 23 194.806 -7.201 7.141 463 HB2 TYR 23 HB2 TYR 23 194.054 -5.040 8.038 464 HB3 TYR 23 HB1 TYR 23 193.888 -5.758 9.637 465 HD1 TYR 23 HD1 TYR 23 195.801 -6.124 11.034 466 HD2 TYR 23 HD2 TYR 23 196.291 -4.691 7.059 467 HE1 TYR 23 HE1 TYR 23 198.142 -5.562 11.532 468 HE2 TYR 23 HE2 TYR 23 198.635 -4.127 7.545 469 HH TYR 23 HH TYR 23 200.253 -5.223 10.316 470 H GLY 24 HN GLY 24 193.648 -7.600 10.495 471 HA2 GLY 24 HA2 GLY 24 195.460 -9.925 10.714 472 HA3 GLY 24 HA1 GLY 24 195.286 -8.743 12.002 473 H ASP 25 HN ASP 25 194.143 -9.512 13.637 474 HA ASP 25 HA ASP 25 192.543 -11.806 13.537 475 HB2 ASP 25 HB2 ASP 25 193.545 -10.947 15.614 476 HB3 ASP 25 HB1 ASP 25 192.473 -9.552 15.557 477 H GLY 26 HN GLY 26 191.819 -8.478 12.869 478 HA2 GLY 26 HA2 GLY 26 189.891 -8.070 11.424 479 HA3 GLY 26 HA1 GLY 26 189.008 -9.245 12.386 480 H LYS 27 HN LYS 27 191.117 -6.891 13.859 481 HA LYS 27 HA LYS 27 188.836 -5.769 15.273 482 HB2 LYS 27 HB2 LYS 27 191.804 -5.296 15.618 483 HB3 LYS 27 HB1 LYS 27 190.546 -4.644 16.660 484 HG2 LYS 27 HG2 LYS 27 189.903 -6.902 17.315 485 HG3 LYS 27 HG1 LYS 27 191.145 -7.567 16.253 486 HD2 LYS 27 HD2 LYS 27 192.874 -6.441 17.560 487 HD3 LYS 27 HD1 LYS 27 191.636 -5.752 18.613 488 HE2 LYS 27 HE2 LYS 27 192.675 -7.704 19.641 489 HE3 LYS 27 HE1 LYS 27 190.969 -7.996 19.305 490 HZ1 LYS 27 HZ1 LYS 27 193.240 -8.932 17.635 491 HZ2 LYS 27 HZ2 LYS 27 191.603 -9.220 17.323 492 HZ3 LYS 27 HZ3 LYS 27 192.332 -9.893 18.692 493 H TRP 28 HN TRP 28 191.346 -4.785 13.010 494 HA TRP 28 HA TRP 28 190.785 -2.012 13.051 495 HB2 TRP 28 HB2 TRP 28 191.953 -3.627 10.774 496 HB3 TRP 28 HB1 TRP 28 192.112 -1.891 11.022 497 HD1 TRP 28 HD1 TRP 28 193.303 -5.229 12.537 498 HE1 TRP 28 HE1 TRP 28 195.487 -4.795 13.827 499 HE3 TRP 28 HE3 TRP 28 193.485 -0.135 12.135 500 HZ2 TRP 28 HZ2 TRP 28 197.078 -2.587 14.574 501 HZ3 TRP 28 HZ3 TRP 28 195.373 1.062 13.165 502 HH2 TRP 28 HH2 TRP 28 197.131 -0.141 14.359 503 H VAL 29 HN VAL 29 189.188 -0.870 12.133 504 HA VAL 29 HA VAL 29 187.661 -2.090 9.944 505 HB VAL 29 HB VAL 29 185.542 -1.436 10.899 506 HG11 VAL 29 HG11 VAL 29 186.379 -3.645 11.475 507 HG12 VAL 29 HG12 VAL 29 185.442 -2.969 12.808 508 HG13 VAL 29 HG13 VAL 29 187.204 -2.981 12.885 509 HG21 VAL 29 HG21 VAL 29 186.178 0.554 12.102 510 HG22 VAL 29 HG22 VAL 29 187.157 -0.392 13.223 511 HG23 VAL 29 HG23 VAL 29 185.403 -0.570 13.218 512 H ALA 30 HN ALA 30 187.088 -0.723 8.349 513 HA ALA 30 HA ALA 30 188.086 1.994 8.477 514 HB1 ALA 30 HB1 ALA 30 186.775 0.467 6.229 515 HB2 ALA 30 HB2 ALA 30 188.505 0.712 6.466 516 HB3 ALA 30 HB3 ALA 30 187.463 2.085 6.092 517 H GLN 31 HN GLN 31 186.875 3.827 8.581 518 HA GLN 31 HA GLN 31 183.949 3.509 8.612 519 HB2 GLN 31 HB2 GLN 31 185.155 3.796 10.899 520 HB3 GLN 31 HB1 GLN 31 185.341 5.472 10.402 521 HG2 GLN 31 HG2 GLN 31 182.932 5.700 10.198 522 HG3 GLN 31 HG1 GLN 31 182.725 4.005 10.633 523 HE21 GLN 31 HE21 GLN 31 185.065 6.156 12.125 524 HE22 GLN 31 HE22 GLN 31 184.313 6.197 13.677 525 H TRP 32 HN TRP 32 182.728 5.285 7.903 526 HA TRP 32 HA TRP 32 183.887 7.748 7.096 527 HB2 TRP 32 HB2 TRP 32 183.628 7.504 4.666 528 HB3 TRP 32 HB1 TRP 32 184.815 6.366 5.298 529 HD1 TRP 32 HD1 TRP 32 181.247 6.472 3.870 530 HE1 TRP 32 HE1 TRP 32 180.633 4.112 3.047 531 HE3 TRP 32 HE3 TRP 32 185.337 3.924 5.579 532 HZ2 TRP 32 HZ2 TRP 32 181.735 1.515 3.112 533 HZ3 TRP 32 HZ3 TRP 32 185.480 1.504 5.157 534 HH2 TRP 32 HH2 TRP 32 183.715 0.326 3.949 535 H ASP 33 HN ASP 33 182.335 9.257 6.992 536 HA ASP 33 HA ASP 33 179.666 8.622 7.631 537 HB2 ASP 33 HB2 ASP 33 180.810 11.191 6.515 538 HB3 ASP 33 HB1 ASP 33 179.216 11.021 7.244 539 H THR 34 HN THR 34 177.742 9.077 6.382 540 HA THR 34 HA THR 34 178.004 9.229 3.497 541 HB THR 34 HB THR 34 176.643 7.207 3.091 542 HG1 THR 34 HG1 THR 34 175.843 6.110 4.720 543 HG21 THR 34 HG21 THR 34 179.084 7.082 2.912 544 HG22 THR 34 HG22 THR 34 178.407 5.561 3.493 545 HG23 THR 34 HG23 THR 34 179.189 6.667 4.623 546 H ALA 35 HN ALA 35 175.612 8.836 2.566 547 HA ALA 35 HA ALA 35 173.765 10.361 4.284 548 HB1 ALA 35 HB1 ALA 35 174.654 11.794 2.519 549 HB2 ALA 35 HB2 ALA 35 172.929 11.502 2.293 550 HB3 ALA 35 HB3 ALA 35 174.107 10.641 1.301 551 H VAL 36 HN VAL 36 172.236 8.970 4.895 552 HA VAL 36 HA VAL 36 171.264 6.974 2.977 553 HB VAL 36 HB VAL 36 170.705 7.140 5.941 554 HG11 VAL 36 HG11 VAL 36 170.251 4.925 3.944 555 HG12 VAL 36 HG12 VAL 36 169.006 5.919 4.702 556 HG13 VAL 36 HG13 VAL 36 169.971 4.814 5.681 557 HG21 VAL 36 HG21 VAL 36 172.718 5.451 4.458 558 HG22 VAL 36 HG22 VAL 36 172.334 5.322 6.175 559 HG23 VAL 36 HG23 VAL 36 173.081 6.790 5.546 560 H PHE 37 HN PHE 37 169.212 6.970 2.227 561 HA PHE 37 HA PHE 37 167.230 8.739 3.434 562 HB2 PHE 37 HB2 PHE 37 166.634 9.691 1.220 563 HB3 PHE 37 HB1 PHE 37 168.250 10.149 1.747 564 HD1 PHE 37 HD1 PHE 37 170.210 9.338 0.603 565 HD2 PHE 37 HD2 PHE 37 166.310 8.172 -0.638 566 HE1 PHE 37 HE1 PHE 37 171.141 8.492 -1.512 567 HE2 PHE 37 HE2 PHE 37 167.233 7.324 -2.756 568 HZ PHE 37 HZ PHE 37 169.652 7.484 -3.195 569 H HIS 38 HN HIS 38 165.058 8.249 2.843 570 HA HIS 38 HA HIS 38 164.675 5.444 2.266 571 HB2 HIS 38 HB2 HIS 38 163.379 6.540 4.045 572 HB3 HIS 38 HB1 HIS 38 162.657 7.621 2.857 573 HD1 HIS 38 HD1 HIS 38 160.625 6.792 1.631 574 HD2 HIS 38 HD2 HIS 38 162.532 3.794 3.787 575 HE1 HIS 38 HE1 HIS 38 159.081 4.809 1.536 576 HE2 HIS 38 HE2 HIS 38 160.255 3.006 2.848 577 H THR 39 HN THR 39 163.434 4.591 0.571 578 HA THR 39 HA THR 39 163.002 6.416 -1.703 579 HB THR 39 HB THR 39 163.595 4.575 -3.226 580 HG1 THR 39 HG1 THR 39 164.129 3.218 -0.784 581 HG21 THR 39 HG21 THR 39 165.738 5.185 -1.187 582 HG22 THR 39 HG22 THR 39 165.323 6.179 -2.582 583 HG23 THR 39 HG23 THR 39 166.014 4.575 -2.819 584 H THR 40 HN THR 40 161.570 5.244 -3.418 585 HA THR 40 HA THR 40 159.460 3.670 -2.126 586 HB THR 40 HB THR 40 157.704 5.048 -3.168 587 HG1 THR 40 HG1 THR 40 159.049 5.958 -4.838 588 HG21 THR 40 HG21 THR 40 158.337 5.492 -0.850 589 HG22 THR 40 HG22 THR 40 157.879 6.985 -1.669 590 HG23 THR 40 HG23 THR 40 159.582 6.616 -1.395 591 H1 ALA 1 HT1 ALA 1 173.761 4.273 -15.324 592 H2 ALA 1 HT2 ALA 1 175.247 3.980 -14.570 593 H3 ALA 1 HT3 ALA 1 173.860 4.233 -13.635 594 HA ALA 1 HA ALA 1 172.874 2.210 -14.466 595 HB1 ALA 1 HB1 ALA 1 175.489 1.854 -15.923 596 HB2 ALA 1 HB2 ALA 1 173.938 2.242 -16.668 597 HB3 ALA 1 HB3 ALA 1 174.165 0.690 -15.860 598 HA PRO 2 HA PRO 2 175.110 1.384 -10.550 599 HB2 PRO 2 HB2 PRO 2 172.750 -0.414 -10.313 600 HB3 PRO 2 HB1 PRO 2 173.417 0.731 -9.139 601 HG2 PRO 2 HG2 PRO 2 171.180 1.302 -10.448 602 HG3 PRO 2 HG1 PRO 2 172.389 2.557 -10.108 603 HD2 PRO 2 HD2 PRO 2 171.800 1.152 -12.668 604 HD3 PRO 2 HD1 PRO 2 172.282 2.837 -12.385 605 H VAL 3 HN VAL 3 176.706 -0.055 -10.454 606 HA VAL 3 HA VAL 3 176.305 -2.689 -11.715 607 HB VAL 3 HB VAL 3 178.725 -2.744 -12.182 608 HG11 VAL 3 HG11 VAL 3 177.293 -0.352 -13.336 609 HG12 VAL 3 HG12 VAL 3 177.189 -2.013 -13.921 610 HG13 VAL 3 HG13 VAL 3 178.713 -1.133 -14.033 611 HG21 VAL 3 HG21 VAL 3 179.485 -1.235 -10.429 612 HG22 VAL 3 HG22 VAL 3 178.686 0.118 -11.228 613 HG23 VAL 3 HG23 VAL 3 180.048 -0.685 -12.007 614 HA PRO 4 HA PRO 4 177.262 -4.359 -7.724 615 HB2 PRO 4 HB2 PRO 4 177.838 -6.901 -8.407 616 HB3 PRO 4 HB1 PRO 4 176.192 -6.256 -8.498 617 HG2 PRO 4 HG2 PRO 4 178.176 -6.649 -10.691 618 HG3 PRO 4 HG1 PRO 4 176.431 -6.974 -10.680 619 HD2 PRO 4 HD2 PRO 4 177.527 -4.742 -11.794 620 HD3 PRO 4 HD1 PRO 4 175.885 -4.800 -11.122 621 H VAL 5 HN VAL 5 179.012 -4.597 -6.426 622 HA VAL 5 HA VAL 5 181.621 -4.182 -7.582 623 HB VAL 5 HB VAL 5 180.846 -4.596 -4.689 624 HG11 VAL 5 HG11 VAL 5 183.380 -3.474 -5.884 625 HG12 VAL 5 HG12 VAL 5 183.213 -5.060 -5.133 626 HG13 VAL 5 HG13 VAL 5 183.007 -3.601 -4.164 627 HG21 VAL 5 HG21 VAL 5 181.043 -2.145 -4.521 628 HG22 VAL 5 HG22 VAL 5 179.745 -2.646 -5.606 629 HG23 VAL 5 HG23 VAL 5 181.272 -2.062 -6.267 630 H THR 6 HN THR 6 182.617 -5.880 -8.474 631 HA THR 6 HA THR 6 182.160 -8.575 -7.821 632 HB THR 6 HB THR 6 184.182 -9.073 -9.134 633 HG1 THR 6 HG1 THR 6 185.416 -7.232 -8.427 634 HG21 THR 6 HG21 THR 6 182.084 -8.636 -10.313 635 HG22 THR 6 HG22 THR 6 183.464 -8.063 -11.250 636 HG23 THR 6 HG23 THR 6 182.462 -6.915 -10.362 637 H LYS 7 HN LYS 7 184.399 -6.203 -6.572 638 HA LYS 7 HA LYS 7 184.955 -7.825 -4.276 639 HB2 LYS 7 HB2 LYS 7 186.542 -8.678 -6.072 640 HB3 LYS 7 HB1 LYS 7 187.322 -7.103 -6.003 641 HG2 LYS 7 HG2 LYS 7 187.879 -7.449 -3.670 642 HG3 LYS 7 HG1 LYS 7 187.034 -8.998 -3.681 643 HD2 LYS 7 HD2 LYS 7 188.603 -9.785 -5.436 644 HD3 LYS 7 HD1 LYS 7 189.489 -8.267 -5.274 645 HE2 LYS 7 HE2 LYS 7 190.569 -10.024 -3.990 646 HE3 LYS 7 HE1 LYS 7 189.925 -8.781 -2.918 647 HZ1 LYS 7 HZ1 LYS 7 188.614 -11.378 -3.512 648 HZ2 LYS 7 HZ2 LYS 7 188.032 -10.195 -2.455 649 HZ3 LYS 7 HZ3 LYS 7 189.467 -11.013 -2.098 650 H LEU 8 HN LEU 8 185.499 -6.576 -2.551 651 HA LEU 8 HA LEU 8 186.062 -3.733 -3.094 652 HB2 LEU 8 HB2 LEU 8 183.763 -4.418 -2.125 653 HB3 LEU 8 HB1 LEU 8 184.640 -4.709 -0.636 654 HG LEU 8 HG LEU 8 183.621 -2.522 -0.568 655 HD11 LEU 8 HD11 LEU 8 185.530 -1.184 -0.021 656 HD12 LEU 8 HD12 LEU 8 186.582 -2.196 -1.010 657 HD13 LEU 8 HD13 LEU 8 185.857 -2.849 0.459 658 HD21 LEU 8 HD21 LEU 8 185.177 -1.955 -3.085 659 HD22 LEU 8 HD22 LEU 8 184.268 -0.764 -2.156 660 HD23 LEU 8 HD23 LEU 8 183.425 -2.098 -2.945 661 H VAL 9 HN VAL 9 188.138 -3.382 -2.630 662 HA VAL 9 HA VAL 9 189.304 -4.697 -0.270 663 HB VAL 9 HB VAL 9 191.503 -4.164 -1.244 664 HG11 VAL 9 HG11 VAL 9 191.418 -5.765 -3.095 665 HG12 VAL 9 HG12 VAL 9 189.659 -5.644 -3.115 666 HG13 VAL 9 HG13 VAL 9 190.480 -6.322 -1.709 667 HG21 VAL 9 HG21 VAL 9 189.895 -3.120 -3.575 668 HG22 VAL 9 HG22 VAL 9 191.643 -3.360 -3.563 669 HG23 VAL 9 HG23 VAL 9 190.909 -2.166 -2.491 670 H CYS 10 HN CYS 10 191.120 -3.331 0.750 671 HA CYS 10 HA CYS 10 190.601 -0.473 0.740 672 HB2 CYS 10 HB2 CYS 10 188.985 -1.316 2.381 673 HB3 CYS 10 HB1 CYS 10 190.279 -2.139 3.246 674 HG CYS 10 HG CYS 10 189.772 1.231 3.002 675 H ASP 11 HN ASP 11 192.288 0.762 1.622 676 HA ASP 11 HA ASP 11 194.743 -0.766 2.199 677 HB2 ASP 11 HB2 ASP 11 194.479 1.928 0.845 678 HB3 ASP 11 HB1 ASP 11 196.000 1.126 1.227 679 H GLY 12 HN GLY 12 195.180 -0.665 4.300 680 HA2 GLY 12 HA2 GLY 12 194.206 1.400 6.008 681 HA3 GLY 12 HA1 GLY 12 195.336 0.131 6.455 682 H ASP 13 HN ASP 13 197.057 1.077 4.098 683 HA ASP 13 HA ASP 13 198.896 2.578 5.543 684 HB2 ASP 13 HB2 ASP 13 198.523 2.465 2.542 685 HB3 ASP 13 HB1 ASP 13 199.964 3.054 3.367 686 H THR 14 HN THR 14 197.013 3.835 2.784 687 HA THR 14 HA THR 14 197.243 6.520 3.921 688 HB THR 14 HB THR 14 196.427 7.316 1.736 689 HG1 THR 14 HG1 THR 14 196.501 4.563 0.990 690 HG21 THR 14 HG21 THR 14 198.714 5.352 1.541 691 HG22 THR 14 HG22 THR 14 198.830 7.029 2.075 692 HG23 THR 14 HG23 THR 14 198.386 6.664 0.408 693 H TYR 15 HN TYR 15 195.218 4.143 4.499 694 HA TYR 15 HA TYR 15 193.069 3.971 5.220 695 HB2 TYR 15 HB2 TYR 15 193.142 6.995 5.252 696 HB3 TYR 15 HB1 TYR 15 191.999 5.969 6.114 697 HD1 TYR 15 HD1 TYR 15 193.114 4.222 7.756 698 HD2 TYR 15 HD2 TYR 15 194.984 7.793 6.395 699 HE1 TYR 15 HE1 TYR 15 194.622 4.165 9.697 700 HE2 TYR 15 HE2 TYR 15 196.499 7.745 8.331 701 HH TYR 15 HH TYR 15 196.831 5.030 10.339 702 H LYS 16 HN LYS 16 193.709 4.317 2.315 703 HA LYS 16 HA LYS 16 191.284 5.572 1.292 704 HB2 LYS 16 HB2 LYS 16 192.266 5.232 -0.918 705 HB3 LYS 16 HB1 LYS 16 193.405 6.038 0.152 706 HG2 LYS 16 HG2 LYS 16 194.548 3.900 0.524 707 HG3 LYS 16 HG1 LYS 16 193.420 3.118 -0.584 708 HD2 LYS 16 HD2 LYS 16 194.187 4.579 -2.393 709 HD3 LYS 16 HD1 LYS 16 195.313 5.364 -1.283 710 HE2 LYS 16 HE2 LYS 16 196.463 3.228 -0.948 711 HE3 LYS 16 HE1 LYS 16 195.337 2.448 -2.058 712 HZ1 LYS 16 HZ1 LYS 16 197.221 4.636 -2.759 713 HZ2 LYS 16 HZ2 LYS 16 196.141 3.889 -3.825 714 HZ3 LYS 16 HZ3 LYS 16 197.415 3.002 -3.153 715 H CYS 17 HN CYS 17 189.695 4.491 0.145 716 HA CYS 17 HA CYS 17 189.741 1.555 0.400 717 HB2 CYS 17 HB2 CYS 17 188.063 2.598 1.855 718 HB3 CYS 17 HB1 CYS 17 187.357 3.417 0.466 719 HG CYS 17 HG CYS 17 186.578 1.001 -0.783 720 H THR 18 HN THR 18 189.825 0.494 -1.458 721 HA THR 18 HA THR 18 188.966 1.868 -3.911 722 HB THR 18 HB THR 18 190.743 -0.565 -3.648 723 HG1 THR 18 HG1 THR 18 192.234 0.870 -3.229 724 HG21 THR 18 HG21 THR 18 191.278 -0.131 -6.006 725 HG22 THR 18 HG22 THR 18 190.110 1.191 -6.024 726 HG23 THR 18 HG23 THR 18 189.561 -0.469 -5.784 727 H ALA 19 HN ALA 19 187.743 0.727 -5.489 728 HA ALA 19 HA ALA 19 186.470 -1.760 -4.625 729 HB1 ALA 19 HB1 ALA 19 184.242 -0.939 -5.012 730 HB2 ALA 19 HB2 ALA 19 184.867 0.630 -5.521 731 HB3 ALA 19 HB3 ALA 19 185.044 0.113 -3.845 732 H TYR 20 HN TYR 20 186.063 -3.146 -6.257 733 HA TYR 20 HA TYR 20 186.846 -2.304 -8.940 734 HB2 TYR 20 HB2 TYR 20 186.340 -5.045 -7.768 735 HB3 TYR 20 HB1 TYR 20 186.806 -4.752 -9.441 736 HD1 TYR 20 HD1 TYR 20 189.062 -3.959 -9.982 737 HD2 TYR 20 HD2 TYR 20 187.942 -4.858 -5.977 738 HE1 TYR 20 HE1 TYR 20 191.433 -3.997 -9.333 739 HE2 TYR 20 HE2 TYR 20 190.310 -4.898 -5.317 740 HH TYR 20 HH TYR 20 192.793 -3.717 -7.304 741 H LEU 21 HN LEU 21 185.331 -1.629 -10.290 742 HA LEU 21 HA LEU 21 182.548 -2.302 -9.862 743 HB2 LEU 21 HB2 LEU 21 183.855 -0.606 -11.990 744 HB3 LEU 21 HB1 LEU 21 182.127 -0.752 -11.728 745 HG LEU 21 HG LEU 21 184.114 0.449 -9.799 746 HD11 LEU 21 HD11 LEU 21 182.947 2.542 -10.280 747 HD12 LEU 21 HD12 LEU 21 181.947 1.711 -11.472 748 HD13 LEU 21 HD13 LEU 21 183.684 1.865 -11.731 749 HD21 LEU 21 HD21 LEU 21 182.140 1.069 -8.484 750 HD22 LEU 21 HD22 LEU 21 182.318 -0.681 -8.613 751 HD23 LEU 21 HD23 LEU 21 181.120 0.159 -9.598 752 H ASP 22 HN ASP 22 181.184 -3.229 -11.467 753 HA ASP 22 HA ASP 22 182.582 -5.198 -13.128 754 HB2 ASP 22 HB2 ASP 22 180.887 -6.007 -11.502 755 HB3 ASP 22 HB1 ASP 22 179.659 -5.072 -12.349 756 H TYR 23 HN TYR 23 182.272 -2.354 -13.854 757 HA TYR 23 HA TYR 23 180.269 -1.910 -15.737 758 HB2 TYR 23 HB2 TYR 23 181.729 -0.137 -14.861 759 HB3 TYR 23 HB1 TYR 23 183.095 -0.830 -15.728 760 HD1 TYR 23 HD1 TYR 23 183.387 -0.459 -18.078 761 HD2 TYR 23 HD2 TYR 23 179.899 0.962 -16.100 762 HE1 TYR 23 HE1 TYR 23 182.836 0.910 -20.045 763 HE2 TYR 23 HE2 TYR 23 179.338 2.333 -18.061 764 HH TYR 23 HH TYR 23 180.855 1.949 -21.069 765 H GLY 24 HN GLY 24 183.676 -2.615 -16.539 766 HA2 GLY 24 HA2 GLY 24 182.685 -4.140 -18.871 767 HA3 GLY 24 HA1 GLY 24 184.072 -3.067 -18.969 768 H ASP 25 HN ASP 25 185.911 -4.153 -19.074 769 HA ASP 25 HA ASP 25 186.206 -6.867 -18.460 770 HB2 ASP 25 HB2 ASP 25 187.697 -5.661 -20.002 771 HB3 ASP 25 HB1 ASP 25 188.351 -4.739 -18.652 772 H GLY 26 HN GLY 26 186.460 -4.030 -16.477 773 HA2 GLY 26 HA2 GLY 26 186.141 -4.368 -14.078 774 HA3 GLY 26 HA1 GLY 26 187.208 -5.758 -14.202 775 H LYS 27 HN LYS 27 187.889 -2.774 -15.872 776 HA LYS 27 HA LYS 27 190.344 -2.502 -14.335 777 HB2 LYS 27 HB2 LYS 27 189.359 -0.998 -16.766 778 HB3 LYS 27 HB1 LYS 27 190.946 -0.811 -16.033 779 HG2 LYS 27 HG2 LYS 27 191.470 -3.134 -16.552 780 HG3 LYS 27 HG1 LYS 27 189.870 -3.339 -17.267 781 HD2 LYS 27 HD2 LYS 27 190.395 -1.641 -18.943 782 HD3 LYS 27 HD1 LYS 27 191.989 -1.413 -18.220 783 HE2 LYS 27 HE2 LYS 27 192.115 -2.844 -20.191 784 HE3 LYS 27 HE1 LYS 27 192.559 -3.731 -18.733 785 HZ1 LYS 27 HZ1 LYS 27 189.912 -3.836 -20.078 786 HZ2 LYS 27 HZ2 LYS 27 190.346 -4.695 -18.687 787 HZ3 LYS 27 HZ3 LYS 27 191.108 -5.032 -20.160 788 H TRP 28 HN TRP 28 187.362 -0.744 -14.970 789 HA TRP 28 HA TRP 28 188.078 1.649 -13.642 790 HB2 TRP 28 HB2 TRP 28 185.303 0.501 -14.015 791 HB3 TRP 28 HB1 TRP 28 185.711 2.186 -13.705 792 HD1 TRP 28 HD1 TRP 28 185.985 -0.476 -16.480 793 HE1 TRP 28 HE1 TRP 28 186.178 0.736 -18.742 794 HE3 TRP 28 HE3 TRP 28 186.324 4.340 -14.795 795 HZ2 TRP 28 HZ2 TRP 28 186.440 3.383 -19.687 796 HZ3 TRP 28 HZ3 TRP 28 186.544 6.153 -16.444 797 HH2 TRP 28 HH2 TRP 28 186.600 5.683 -18.839 798 H VAL 29 HN VAL 29 188.180 2.127 -11.531 799 HA VAL 29 HA VAL 29 186.776 0.394 -9.624 800 HB VAL 29 HB VAL 29 188.682 0.274 -8.146 801 HG11 VAL 29 HG11 VAL 29 188.468 -1.479 -9.817 802 HG12 VAL 29 HG12 VAL 29 190.167 -1.149 -9.478 803 HG13 VAL 29 HG13 VAL 29 189.425 -0.533 -10.955 804 HG21 VAL 29 HG21 VAL 29 189.747 2.388 -8.603 805 HG22 VAL 29 HG22 VAL 29 190.136 1.878 -10.247 806 HG23 VAL 29 HG23 VAL 29 190.910 1.089 -8.873 807 H ALA 30 HN ALA 30 185.854 1.428 -7.943 808 HA ALA 30 HA ALA 30 185.921 4.326 -7.947 809 HB1 ALA 30 HB1 ALA 30 184.318 2.380 -6.288 810 HB2 ALA 30 HB2 ALA 30 183.771 3.230 -7.733 811 HB3 ALA 30 HB3 ALA 30 184.128 4.133 -6.261 812 H GLN 31 HN GLN 31 186.851 5.609 -6.424 813 HA GLN 31 HA GLN 31 188.165 4.274 -4.152 814 HB2 GLN 31 HB2 GLN 31 189.658 5.026 -6.146 815 HB3 GLN 31 HB1 GLN 31 189.393 6.646 -5.517 816 HG2 GLN 31 HG2 GLN 31 190.353 5.997 -3.383 817 HG3 GLN 31 HG1 GLN 31 190.571 4.350 -3.970 818 HE21 GLN 31 HE21 GLN 31 191.131 7.227 -5.903 819 HE22 GLN 31 HE22 GLN 31 192.841 7.034 -6.026 820 H TRP 32 HN TRP 32 188.371 5.482 -2.245 821 HA TRP 32 HA TRP 32 187.510 8.177 -2.007 822 HB2 TRP 32 HB2 TRP 32 185.462 7.799 -0.702 823 HB3 TRP 32 HB1 TRP 32 185.299 7.173 -2.340 824 HD1 TRP 32 HD1 TRP 32 185.700 5.971 1.289 825 HE1 TRP 32 HE1 TRP 32 184.900 3.529 1.427 826 HE3 TRP 32 HE3 TRP 32 184.935 5.083 -3.687 827 HZ2 TRP 32 HZ2 TRP 32 184.057 1.495 -0.339 828 HZ3 TRP 32 HZ3 TRP 32 184.131 2.863 -4.379 829 HH2 TRP 32 HH2 TRP 32 183.701 1.107 -2.738 830 H ASP 33 HN ASP 33 188.358 9.033 -0.205 831 HA ASP 33 HA ASP 33 190.043 7.506 1.456 832 HB2 ASP 33 HB2 ASP 33 188.935 10.288 1.890 833 HB3 ASP 33 HB1 ASP 33 190.277 9.578 2.781 834 H THR 34 HN THR 34 189.901 7.217 3.773 835 HA THR 34 HA THR 34 187.277 7.387 5.001 836 HB THR 34 HB THR 34 187.236 5.005 5.654 837 HG1 THR 34 HG1 THR 34 188.860 3.732 5.169 838 HG21 THR 34 HG21 THR 34 185.941 5.750 3.713 839 HG22 THR 34 HG22 THR 34 186.530 4.102 3.494 840 HG23 THR 34 HG23 THR 34 187.328 5.440 2.667 841 H ALA 35 HN ALA 35 187.500 6.148 7.271 842 HA ALA 35 HA ALA 35 190.082 6.957 8.437 843 HB1 ALA 35 HB1 ALA 35 188.347 8.570 9.026 844 HB2 ALA 35 HB2 ALA 35 188.894 7.679 10.446 845 HB3 ALA 35 HB3 ALA 35 187.355 7.271 9.688 846 H VAL 36 HN VAL 36 191.106 5.127 8.940 847 HA VAL 36 HA VAL 36 189.567 2.872 10.016 848 HB VAL 36 HB VAL 36 192.444 2.898 9.095 849 HG11 VAL 36 HG11 VAL 36 190.566 0.620 9.714 850 HG12 VAL 36 HG12 VAL 36 191.951 1.124 10.683 851 HG13 VAL 36 HG13 VAL 36 192.199 0.458 9.069 852 HG21 VAL 36 HG21 VAL 36 189.965 2.000 7.627 853 HG22 VAL 36 HG22 VAL 36 191.624 1.782 7.069 854 HG23 VAL 36 HG23 VAL 36 190.956 3.406 7.236 855 H PHE 37 HN PHE 37 189.849 2.120 12.047 856 HA PHE 37 HA PHE 37 192.083 3.098 13.650 857 HB2 PHE 37 HB2 PHE 37 190.562 3.724 15.510 858 HB3 PHE 37 HB1 PHE 37 190.354 4.738 14.086 859 HD1 PHE 37 HD1 PHE 37 188.331 4.651 12.779 860 HD2 PHE 37 HD2 PHE 37 188.850 2.145 16.180 861 HE1 PHE 37 HE1 PHE 37 185.923 4.144 12.769 862 HE2 PHE 37 HE2 PHE 37 186.443 1.632 16.175 863 HZ PHE 37 HZ PHE 37 184.977 2.632 14.468 864 H HIS 38 HN HIS 38 192.488 1.854 15.544 865 HA HIS 38 HA HIS 38 191.730 -0.916 15.234 866 HB2 HIS 38 HB2 HIS 38 194.049 -0.312 15.785 867 HB3 HIS 38 HB1 HIS 38 193.504 0.415 17.293 868 HD1 HIS 38 HD1 HIS 38 193.234 -1.111 19.273 869 HD2 HIS 38 HD2 HIS 38 193.794 -3.183 15.716 870 HE1 HIS 38 HE1 HIS 38 193.556 -3.514 19.939 871 HE2 HIS 38 HE2 HIS 38 193.894 -4.751 17.771 872 H THR 39 HN THR 39 190.685 -2.194 16.786 873 HA THR 39 HA THR 39 189.168 -0.696 18.823 874 HB THR 39 HB THR 39 187.283 -2.242 18.482 875 HG1 THR 39 HG1 THR 39 188.972 -3.262 16.432 876 HG21 THR 39 HG21 THR 39 188.179 -0.862 15.948 877 HG22 THR 39 HG22 THR 39 187.300 -0.112 17.280 878 HG23 THR 39 HG23 THR 39 186.532 -1.372 16.314 879 H THR 40 HN THR 40 188.146 -2.341 20.440 880 HA THR 40 HA THR 40 190.003 -4.531 21.028 881 HB THR 40 HB THR 40 190.106 -3.892 23.405 882 HG1 THR 40 HG1 THR 40 188.165 -2.603 23.409 883 HG21 THR 40 HG21 THR 40 191.913 -3.197 21.915 884 HG22 THR 40 HG22 THR 40 191.634 -1.985 23.164 885 HG23 THR 40 HG23 THR 40 191.037 -1.717 21.527 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 171.876 0.829 14.785 2 H2 ALA 1 HT2 ALA 1 170.848 0.167 15.953 3 H3 ALA 1 HT3 ALA 1 170.429 0.086 14.316 4 HA ALA 1 HA ALA 1 172.749 -1.258 15.576 5 HB1 ALA 1 HB1 ALA 1 170.171 -2.425 14.533 6 HB2 ALA 1 HB2 ALA 1 170.606 -2.244 16.233 7 HB3 ALA 1 HB3 ALA 1 171.531 -3.330 15.196 8 HA PRO 2 HA PRO 2 174.423 -1.527 11.502 9 HB2 PRO 2 HB2 PRO 2 175.830 -3.841 11.681 10 HB3 PRO 2 HB1 PRO 2 176.342 -2.345 12.476 11 HG2 PRO 2 HG2 PRO 2 174.926 -4.699 13.640 12 HG3 PRO 2 HG1 PRO 2 176.254 -3.737 14.318 13 HD2 PRO 2 HD2 PRO 2 173.680 -3.394 15.076 14 HD3 PRO 2 HD1 PRO 2 174.858 -2.066 15.044 15 H VAL 3 HN VAL 3 173.750 -2.252 9.565 16 HA VAL 3 HA VAL 3 172.193 -4.751 9.490 17 HB VAL 3 HB VAL 3 170.815 -3.754 7.698 18 HG11 VAL 3 HG11 VAL 3 170.014 -3.734 9.996 19 HG12 VAL 3 HG12 VAL 3 169.489 -2.283 9.142 20 HG13 VAL 3 HG13 VAL 3 170.831 -2.198 10.283 21 HG21 VAL 3 HG21 VAL 3 170.873 -1.250 7.478 22 HG22 VAL 3 HG22 VAL 3 172.260 -2.094 6.792 23 HG23 VAL 3 HG23 VAL 3 172.406 -1.280 8.349 24 HA PRO 4 HA PRO 4 175.438 -5.933 6.618 25 HB2 PRO 4 HB2 PRO 4 173.485 -8.068 5.955 26 HB3 PRO 4 HB1 PRO 4 175.175 -8.204 6.460 27 HG2 PRO 4 HG2 PRO 4 173.212 -8.822 8.140 28 HG3 PRO 4 HG1 PRO 4 174.682 -8.002 8.702 29 HD2 PRO 4 HD2 PRO 4 171.964 -6.872 8.209 30 HD3 PRO 4 HD1 PRO 4 173.134 -6.491 9.490 31 H VAL 5 HN VAL 5 175.784 -5.416 4.537 32 HA VAL 5 HA VAL 5 173.649 -4.272 2.998 33 HB VAL 5 HB VAL 5 176.497 -4.823 2.152 34 HG11 VAL 5 HG11 VAL 5 175.004 -4.437 0.269 35 HG12 VAL 5 HG12 VAL 5 176.095 -3.070 0.486 36 HG13 VAL 5 HG13 VAL 5 174.418 -2.953 1.020 37 HG21 VAL 5 HG21 VAL 5 176.426 -3.421 4.146 38 HG22 VAL 5 HG22 VAL 5 175.287 -2.333 3.353 39 HG23 VAL 5 HG23 VAL 5 176.932 -2.486 2.738 40 H THR 6 HN THR 6 172.567 -5.115 1.296 41 HA THR 6 HA THR 6 173.125 -7.924 0.631 42 HB THR 6 HB THR 6 170.815 -8.025 -0.214 43 HG1 THR 6 HG1 THR 6 170.603 -5.359 0.779 44 HG21 THR 6 HG21 THR 6 169.663 -7.841 1.944 45 HG22 THR 6 HG22 THR 6 171.019 -6.914 2.587 46 HG23 THR 6 HG23 THR 6 171.245 -8.600 2.123 47 H LYS 7 HN LYS 7 172.425 -4.770 -0.808 48 HA LYS 7 HA LYS 7 173.592 -5.748 -3.325 49 HB2 LYS 7 HB2 LYS 7 171.144 -5.600 -3.560 50 HB3 LYS 7 HB1 LYS 7 171.203 -3.911 -3.071 51 HG2 LYS 7 HG2 LYS 7 172.524 -3.378 -5.051 52 HG3 LYS 7 HG1 LYS 7 172.478 -5.074 -5.539 53 HD2 LYS 7 HD2 LYS 7 170.034 -4.958 -5.689 54 HD3 LYS 7 HD1 LYS 7 170.087 -3.261 -5.209 55 HE2 LYS 7 HE2 LYS 7 171.395 -2.738 -7.208 56 HE3 LYS 7 HE1 LYS 7 171.353 -4.435 -7.683 57 HZ1 LYS 7 HZ1 LYS 7 168.944 -4.286 -7.849 58 HZ2 LYS 7 HZ2 LYS 7 169.686 -3.154 -8.862 59 HZ3 LYS 7 HZ3 LYS 7 168.991 -2.654 -7.403 60 H LEU 8 HN LEU 8 175.406 -4.671 -3.704 61 HA LEU 8 HA LEU 8 175.506 -1.805 -3.028 62 HB2 LEU 8 HB2 LEU 8 176.869 -3.451 -1.568 63 HB3 LEU 8 HB1 LEU 8 177.925 -3.579 -2.960 64 HG LEU 8 HG LEU 8 178.832 -1.985 -1.386 65 HD11 LEU 8 HD11 LEU 8 177.687 -0.510 -3.750 66 HD12 LEU 8 HD12 LEU 8 179.104 -1.558 -3.807 67 HD13 LEU 8 HD13 LEU 8 179.133 -0.088 -2.832 68 HD21 LEU 8 HD21 LEU 8 177.637 0.073 -0.822 69 HD22 LEU 8 HD22 LEU 8 176.772 -1.356 -0.259 70 HD23 LEU 8 HD23 LEU 8 176.224 -0.506 -1.704 71 H VAL 9 HN VAL 9 175.436 -0.757 -4.908 72 HA VAL 9 HA VAL 9 177.235 -1.656 -7.062 73 HB VAL 9 HB VAL 9 175.603 -0.813 -8.713 74 HG11 VAL 9 HG11 VAL 9 173.994 -2.658 -8.505 75 HG12 VAL 9 HG12 VAL 9 174.533 -2.928 -6.848 76 HG13 VAL 9 HG13 VAL 9 175.648 -3.182 -8.189 77 HG21 VAL 9 HG21 VAL 9 173.783 -0.517 -6.325 78 HG22 VAL 9 HG22 VAL 9 173.298 -0.352 -8.013 79 HG23 VAL 9 HG23 VAL 9 174.437 0.795 -7.307 80 H CYS 10 HN CYS 10 178.182 -0.031 -8.338 81 HA CYS 10 HA CYS 10 178.121 2.645 -7.106 82 HB2 CYS 10 HB2 CYS 10 180.293 1.521 -6.902 83 HB3 CYS 10 HB1 CYS 10 180.353 1.305 -8.649 84 HG CYS 10 HG CYS 10 180.703 4.190 -6.871 85 H ASP 11 HN ASP 11 177.909 4.448 -8.382 86 HA ASP 11 HA ASP 11 177.135 3.938 -11.174 87 HB2 ASP 11 HB2 ASP 11 175.352 4.873 -9.755 88 HB3 ASP 11 HB1 ASP 11 176.382 6.249 -9.369 89 H GLY 12 HN GLY 12 178.589 4.508 -12.642 90 HA2 GLY 12 HA2 GLY 12 180.760 6.293 -11.975 91 HA3 GLY 12 HA1 GLY 12 180.533 5.447 -13.497 92 H ASP 13 HN ASP 13 177.704 6.566 -13.573 93 HA ASP 13 HA ASP 13 178.181 8.709 -15.288 94 HB2 ASP 13 HB2 ASP 13 175.672 8.075 -13.721 95 HB3 ASP 13 HB1 ASP 13 175.759 9.170 -15.096 96 H THR 14 HN THR 14 177.643 8.636 -11.825 97 HA THR 14 HA THR 14 178.298 11.500 -11.730 98 HB THR 14 HB THR 14 176.705 11.831 -9.886 99 HG1 THR 14 HG1 THR 14 175.083 10.090 -9.660 100 HG21 THR 14 HG21 THR 14 175.432 10.698 -12.380 101 HG22 THR 14 HG22 THR 14 176.000 12.355 -12.168 102 HG23 THR 14 HG23 THR 14 174.643 11.757 -11.212 103 H TYR 15 HN TYR 15 179.484 8.643 -11.051 104 HA TYR 15 HA TYR 15 180.983 7.797 -9.568 105 HB2 TYR 15 HB2 TYR 15 181.271 10.662 -8.642 106 HB3 TYR 15 HB1 TYR 15 182.436 9.361 -8.418 107 HD1 TYR 15 HD1 TYR 15 183.166 8.193 -10.714 108 HD2 TYR 15 HD2 TYR 15 181.669 12.157 -10.349 109 HE1 TYR 15 HE1 TYR 15 184.251 8.792 -12.838 110 HE2 TYR 15 HE2 TYR 15 182.747 12.767 -12.473 111 HH TYR 15 HH TYR 15 184.612 12.001 -13.877 112 H LYS 16 HN LYS 16 178.091 8.310 -8.767 113 HA LYS 16 HA LYS 16 178.358 8.497 -5.864 114 HB2 LYS 16 HB2 LYS 16 175.924 8.410 -7.652 115 HB3 LYS 16 HB1 LYS 16 175.857 8.490 -5.896 116 HG2 LYS 16 HG2 LYS 16 177.043 10.635 -5.960 117 HG3 LYS 16 HG1 LYS 16 177.064 10.558 -7.723 118 HD2 LYS 16 HD2 LYS 16 174.636 10.590 -7.777 119 HD3 LYS 16 HD1 LYS 16 174.578 10.582 -6.013 120 HE2 LYS 16 HE2 LYS 16 175.718 12.743 -5.964 121 HE3 LYS 16 HE1 LYS 16 175.795 12.748 -7.726 122 HZ1 LYS 16 HZ1 LYS 16 173.378 12.764 -7.794 123 HZ2 LYS 16 HZ2 LYS 16 173.961 14.092 -6.923 124 HZ3 LYS 16 HZ3 LYS 16 173.307 12.764 -6.103 125 H CYS 17 HN CYS 17 178.466 6.749 -4.630 126 HA CYS 17 HA CYS 17 177.852 4.145 -5.808 127 HB2 CYS 17 HB2 CYS 17 180.052 4.416 -4.757 128 HB3 CYS 17 HB1 CYS 17 179.280 4.849 -3.235 129 HG CYS 17 HG CYS 17 177.922 2.214 -3.285 130 H THR 18 HN THR 18 175.850 3.426 -5.526 131 HA THR 18 HA THR 18 174.300 4.259 -3.204 132 HB THR 18 HB THR 18 173.443 2.561 -5.556 133 HG1 THR 18 HG1 THR 18 172.859 5.306 -5.092 134 HG21 THR 18 HG21 THR 18 172.040 2.245 -3.581 135 HG22 THR 18 HG22 THR 18 171.167 3.134 -4.829 136 HG23 THR 18 HG23 THR 18 171.830 3.990 -3.437 137 H ALA 19 HN ALA 19 173.252 2.772 -1.807 138 HA ALA 19 HA ALA 19 174.133 -0.009 -1.893 139 HB1 ALA 19 HB1 ALA 19 174.984 -0.021 0.345 140 HB2 ALA 19 HB2 ALA 19 174.528 1.665 0.580 141 HB3 ALA 19 HB3 ALA 19 175.813 1.251 -0.553 142 H TYR 20 HN TYR 20 172.612 -1.398 -1.193 143 HA TYR 20 HA TYR 20 170.128 -0.243 -0.152 144 HB2 TYR 20 HB2 TYR 20 170.691 -2.939 -1.402 145 HB3 TYR 20 HB1 TYR 20 169.118 -2.428 -0.800 146 HD1 TYR 20 HD1 TYR 20 167.699 -1.048 -2.105 147 HD2 TYR 20 HD2 TYR 20 171.708 -1.739 -3.351 148 HE1 TYR 20 HE1 TYR 20 167.191 -0.030 -4.285 149 HE2 TYR 20 HE2 TYR 20 171.212 -0.723 -5.533 150 HH TYR 20 HH TYR 20 169.260 -0.290 -6.962 151 H LEU 21 HN LEU 21 169.849 -0.300 1.968 152 HA LEU 21 HA LEU 21 171.362 -2.085 3.645 153 HB2 LEU 21 HB2 LEU 21 169.162 -0.144 4.354 154 HB3 LEU 21 HB1 LEU 21 170.203 -0.967 5.499 155 HG LEU 21 HG LEU 21 171.079 1.079 3.461 156 HD11 LEU 21 HD11 LEU 21 170.888 1.210 6.467 157 HD12 LEU 21 HD12 LEU 21 169.841 2.045 5.320 158 HD13 LEU 21 HD13 LEU 21 171.551 2.465 5.419 159 HD21 LEU 21 HD21 LEU 21 172.798 -0.610 3.813 160 HD22 LEU 21 HD22 LEU 21 172.670 -0.393 5.558 161 HD23 LEU 21 HD23 LEU 21 173.266 0.923 4.547 162 H ASP 22 HN ASP 22 170.297 -3.387 5.349 163 HA ASP 22 HA ASP 22 168.068 -4.890 4.190 164 HB2 ASP 22 HB2 ASP 22 170.116 -6.122 4.854 165 HB3 ASP 22 HB1 ASP 22 169.871 -5.600 6.517 166 H TYR 23 HN TYR 23 167.915 -2.258 5.693 167 HA TYR 23 HA TYR 23 166.551 -2.899 8.147 168 HB2 TYR 23 HB2 TYR 23 167.879 -0.834 7.920 169 HB3 TYR 23 HB1 TYR 23 166.779 -0.269 6.666 170 HD1 TYR 23 HD1 TYR 23 164.525 0.484 7.233 171 HD2 TYR 23 HD2 TYR 23 167.244 -0.785 10.250 172 HE1 TYR 23 HE1 TYR 23 163.101 1.524 8.946 173 HE2 TYR 23 HE2 TYR 23 165.826 0.251 11.971 174 HH TYR 23 HH TYR 23 164.132 2.014 12.146 175 H GLY 24 HN GLY 24 164.383 -2.933 8.527 176 HA2 GLY 24 HA2 GLY 24 162.139 -3.104 8.076 177 HA3 GLY 24 HA1 GLY 24 162.395 -1.854 6.867 178 H ASP 25 HN ASP 25 161.747 -2.428 4.913 179 HA ASP 25 HA ASP 25 161.713 -5.277 4.212 180 HB2 ASP 25 HB2 ASP 25 160.142 -4.637 2.435 181 HB3 ASP 25 HB1 ASP 25 159.575 -4.093 4.012 182 H GLY 26 HN GLY 26 163.033 -2.179 3.268 183 HA2 GLY 26 HA2 GLY 26 165.324 -2.598 2.199 184 HA3 GLY 26 HA1 GLY 26 164.389 -3.458 0.985 185 H LYS 27 HN LYS 27 163.712 -0.392 2.644 186 HA LYS 27 HA LYS 27 163.483 0.873 0.001 187 HB2 LYS 27 HB2 LYS 27 162.333 1.708 2.670 188 HB3 LYS 27 HB1 LYS 27 162.133 2.597 1.165 189 HG2 LYS 27 HG2 LYS 27 160.953 0.688 0.195 190 HG3 LYS 27 HG1 LYS 27 161.148 -0.197 1.709 191 HD2 LYS 27 HD2 LYS 27 159.836 1.493 2.879 192 HD3 LYS 27 HD1 LYS 27 159.671 2.415 1.384 193 HE2 LYS 27 HE2 LYS 27 158.471 0.537 0.365 194 HE3 LYS 27 HE1 LYS 27 158.635 -0.378 1.864 195 HZ1 LYS 27 HZ1 LYS 27 156.462 0.657 1.692 196 HZ2 LYS 27 HZ2 LYS 27 157.169 2.187 1.556 197 HZ3 LYS 27 HZ3 LYS 27 157.324 1.310 2.994 198 H TRP 28 HN TRP 28 164.762 1.415 3.267 199 HA TRP 28 HA TRP 28 166.036 3.866 2.717 200 HB2 TRP 28 HB2 TRP 28 166.780 1.770 4.769 201 HB3 TRP 28 HB1 TRP 28 167.313 3.448 4.773 202 HD1 TRP 28 HD1 TRP 28 164.120 1.345 5.259 203 HE1 TRP 28 HE1 TRP 28 162.458 2.718 6.664 204 HE3 TRP 28 HE3 TRP 28 166.702 5.751 5.497 205 HZ2 TRP 28 HZ2 TRP 28 162.267 5.324 7.733 206 HZ3 TRP 28 HZ3 TRP 28 165.711 7.634 6.730 207 HH2 TRP 28 HH2 TRP 28 163.538 7.424 7.824 208 H VAL 29 HN VAL 29 167.957 4.365 1.811 209 HA VAL 29 HA VAL 29 169.914 2.245 1.349 210 HB VAL 29 HB VAL 29 170.185 2.747 -0.992 211 HG11 VAL 29 HG11 VAL 29 167.283 2.280 -0.320 212 HG12 VAL 29 HG12 VAL 29 168.542 1.050 -0.428 213 HG13 VAL 29 HG13 VAL 29 168.045 1.933 -1.872 214 HG21 VAL 29 HG21 VAL 29 169.676 5.106 -1.014 215 HG22 VAL 29 HG22 VAL 29 167.991 4.782 -0.600 216 HG23 VAL 29 HG23 VAL 29 168.627 4.278 -2.166 217 H ALA 30 HN ALA 30 172.002 2.922 1.382 218 HA ALA 30 HA ALA 30 172.526 5.583 2.320 219 HB1 ALA 30 HB1 ALA 30 173.806 3.685 3.172 220 HB2 ALA 30 HB2 ALA 30 174.868 4.863 2.401 221 HB3 ALA 30 HB3 ALA 30 174.440 3.377 1.556 222 H GLN 31 HN GLN 31 174.204 6.979 1.274 223 HA GLN 31 HA GLN 31 174.624 6.628 -1.554 224 HB2 GLN 31 HB2 GLN 31 172.254 7.610 -1.171 225 HB3 GLN 31 HB1 GLN 31 173.104 9.095 -0.769 226 HG2 GLN 31 HG2 GLN 31 172.330 8.979 -3.111 227 HG3 GLN 31 HG1 GLN 31 174.071 9.212 -2.949 228 HE21 GLN 31 HE21 GLN 31 175.464 7.542 -3.519 229 HE22 GLN 31 HE22 GLN 31 174.946 6.198 -4.474 230 H TRP 32 HN TRP 32 176.697 7.136 -1.714 231 HA TRP 32 HA TRP 32 177.608 9.696 -0.614 232 HB2 TRP 32 HB2 TRP 32 179.672 8.689 0.226 233 HB3 TRP 32 HB1 TRP 32 178.271 7.958 1.001 234 HD1 TRP 32 HD1 TRP 32 181.065 7.165 -1.495 235 HE1 TRP 32 HE1 TRP 32 181.232 4.610 -1.755 236 HE3 TRP 32 HE3 TRP 32 176.936 5.801 1.193 237 HZ2 TRP 32 HZ2 TRP 32 179.806 2.320 -0.932 238 HZ3 TRP 32 HZ3 TRP 32 176.409 3.407 1.408 239 HH2 TRP 32 HH2 TRP 32 177.815 1.704 0.366 240 H ASP 33 HN ASP 33 179.472 10.571 -1.672 241 HA ASP 33 HA ASP 33 179.649 9.713 -4.456 242 HB2 ASP 33 HB2 ASP 33 180.698 12.202 -3.092 243 HB3 ASP 33 HB1 ASP 33 180.780 11.878 -4.821 244 H THR 34 HN THR 34 181.767 9.705 -5.532 245 HA THR 34 HA THR 34 184.109 9.314 -3.876 246 HB THR 34 HB THR 34 184.615 7.069 -4.706 247 HG1 THR 34 HG1 THR 34 183.475 6.219 -6.273 248 HG21 THR 34 HG21 THR 34 181.870 7.171 -3.454 249 HG22 THR 34 HG22 THR 34 183.391 7.328 -2.575 250 HG23 THR 34 HG23 THR 34 183.001 5.818 -3.398 251 H ALA 35 HN ALA 35 185.919 8.349 -5.504 252 HA ALA 35 HA ALA 35 185.742 9.980 -7.954 253 HB1 ALA 35 HB1 ALA 35 188.196 9.421 -6.291 254 HB2 ALA 35 HB2 ALA 35 187.304 10.941 -6.339 255 HB3 ALA 35 HB3 ALA 35 188.145 10.367 -7.779 256 H VAL 36 HN VAL 36 185.348 8.556 -9.543 257 HA VAL 36 HA VAL 36 186.850 6.033 -9.595 258 HB VAL 36 HB VAL 36 184.494 6.825 -11.311 259 HG11 VAL 36 HG11 VAL 36 185.801 4.152 -10.817 260 HG12 VAL 36 HG12 VAL 36 185.899 5.102 -12.301 261 HG13 VAL 36 HG13 VAL 36 184.353 4.425 -11.787 262 HG21 VAL 36 HG21 VAL 36 183.153 5.381 -9.852 263 HG22 VAL 36 HG22 VAL 36 183.833 6.750 -8.970 264 HG23 VAL 36 HG23 VAL 36 184.553 5.148 -8.804 265 H PHE 37 HN PHE 37 188.258 5.544 -11.206 266 HA PHE 37 HA PHE 37 188.428 7.276 -13.545 267 HB2 PHE 37 HB2 PHE 37 190.875 7.586 -13.237 268 HB3 PHE 37 HB1 PHE 37 189.919 8.378 -11.989 269 HD1 PHE 37 HD1 PHE 37 190.004 7.649 -9.707 270 HD2 PHE 37 HD2 PHE 37 192.192 5.602 -12.729 271 HE1 PHE 37 HE1 PHE 37 191.294 6.475 -7.972 272 HE2 PHE 37 HE2 PHE 37 193.486 4.423 -10.998 273 HZ PHE 37 HZ PHE 37 193.037 4.859 -8.617 274 H HIS 38 HN HIS 38 189.765 6.400 -15.248 275 HA HIS 38 HA HIS 38 189.673 3.493 -15.266 276 HB2 HIS 38 HB2 HIS 38 188.754 4.715 -17.183 277 HB3 HIS 38 HB1 HIS 38 190.320 5.465 -17.469 278 HD1 HIS 38 HD1 HIS 38 192.012 4.152 -18.808 279 HD2 HIS 38 HD2 HIS 38 188.657 1.918 -17.800 280 HE1 HIS 38 HE1 HIS 38 192.204 2.019 -20.127 281 HE2 HIS 38 HE2 HIS 38 190.162 0.681 -19.502 282 H THR 39 HN THR 39 191.417 2.155 -15.453 283 HA THR 39 HA THR 39 194.033 3.386 -14.961 284 HB THR 39 HB THR 39 194.756 1.149 -14.223 285 HG1 THR 39 HG1 THR 39 193.240 -0.525 -14.118 286 HG21 THR 39 HG21 THR 39 193.811 2.692 -12.579 287 HG22 THR 39 HG22 THR 39 193.397 1.024 -12.184 288 HG23 THR 39 HG23 THR 39 192.193 2.079 -12.923 289 H THR 40 HN THR 40 195.902 2.649 -16.083 290 HA THR 40 HA THR 40 195.373 1.250 -18.617 291 HB THR 40 HB THR 40 196.916 2.770 -19.788 292 HG1 THR 40 HG1 THR 40 198.183 3.880 -18.500 293 HG21 THR 40 HG21 THR 40 195.441 4.728 -19.883 294 HG22 THR 40 HG22 THR 40 194.642 4.197 -18.404 295 HG23 THR 40 HG23 THR 40 194.516 3.228 -19.871 296 H1 ALA 1 HT1 ALA 1 198.652 -2.529 1.871 297 H2 ALA 1 HT2 ALA 1 200.036 -3.501 1.923 298 H3 ALA 1 HT3 ALA 1 198.774 -3.767 3.018 299 HA ALA 1 HA ALA 1 198.622 -4.125 0.081 300 HB1 ALA 1 HB1 ALA 1 198.680 -6.190 2.278 301 HB2 ALA 1 HB2 ALA 1 200.005 -5.822 1.175 302 HB3 ALA 1 HB3 ALA 1 198.505 -6.509 0.553 303 HA PRO 2 HA PRO 2 194.246 -3.843 0.578 304 HB2 PRO 2 HB2 PRO 2 193.398 -5.462 -1.429 305 HB3 PRO 2 HB1 PRO 2 194.105 -3.866 -1.720 306 HG2 PRO 2 HG2 PRO 2 195.391 -6.552 -1.920 307 HG3 PRO 2 HG1 PRO 2 195.541 -5.150 -2.997 308 HD2 PRO 2 HD2 PRO 2 197.420 -5.771 -1.156 309 HD3 PRO 2 HD1 PRO 2 197.074 -4.102 -1.649 310 H VAL 3 HN VAL 3 192.732 -4.808 1.804 311 HA VAL 3 HA VAL 3 192.968 -7.709 2.263 312 HB VAL 3 HB VAL 3 192.175 -7.335 4.572 313 HG11 VAL 3 HG11 VAL 3 194.558 -7.564 4.133 314 HG12 VAL 3 HG12 VAL 3 194.275 -6.431 5.455 315 HG13 VAL 3 HG13 VAL 3 194.686 -5.827 3.849 316 HG21 VAL 3 HG21 VAL 3 192.355 -4.994 5.473 317 HG22 VAL 3 HG22 VAL 3 190.993 -5.278 4.391 318 HG23 VAL 3 HG23 VAL 3 192.425 -4.433 3.802 319 HA PRO 4 HA PRO 4 188.794 -7.663 0.604 320 HB2 PRO 4 HB2 PRO 4 188.753 -10.384 1.785 321 HB3 PRO 4 HB1 PRO 4 188.412 -9.872 0.127 322 HG2 PRO 4 HG2 PRO 4 190.674 -11.138 0.710 323 HG3 PRO 4 HG1 PRO 4 190.637 -9.817 -0.475 324 HD2 PRO 4 HD2 PRO 4 191.608 -9.790 2.345 325 HD3 PRO 4 HD1 PRO 4 192.267 -8.973 0.913 326 H VAL 5 HN VAL 5 186.893 -7.102 1.491 327 HA VAL 5 HA VAL 5 186.686 -6.867 4.343 328 HB VAL 5 HB VAL 5 184.572 -6.337 2.250 329 HG11 VAL 5 HG11 VAL 5 183.653 -6.578 4.490 330 HG12 VAL 5 HG12 VAL 5 183.570 -4.897 3.962 331 HG13 VAL 5 HG13 VAL 5 184.813 -5.401 5.108 332 HG21 VAL 5 HG21 VAL 5 186.578 -5.018 1.827 333 HG22 VAL 5 HG22 VAL 5 186.569 -4.451 3.497 334 HG23 VAL 5 HG23 VAL 5 185.264 -3.994 2.403 335 H THR 6 HN THR 6 185.545 -8.089 5.750 336 HA THR 6 HA THR 6 184.261 -10.504 4.670 337 HB THR 6 HB THR 6 184.543 -11.475 6.912 338 HG1 THR 6 HG1 THR 6 185.937 -9.057 7.508 339 HG21 THR 6 HG21 THR 6 186.987 -11.685 6.878 340 HG22 THR 6 HG22 THR 6 187.090 -10.306 5.783 341 HG23 THR 6 HG23 THR 6 186.311 -11.797 5.254 342 H LYS 7 HN LYS 7 183.816 -7.868 6.985 343 HA LYS 7 HA LYS 7 180.923 -8.400 6.911 344 HB2 LYS 7 HB2 LYS 7 181.844 -9.176 9.060 345 HB3 LYS 7 HB1 LYS 7 182.516 -7.578 9.347 346 HG2 LYS 7 HG2 LYS 7 180.266 -6.635 9.401 347 HG3 LYS 7 HG1 LYS 7 179.588 -8.236 9.100 348 HD2 LYS 7 HD2 LYS 7 180.576 -9.041 11.193 349 HD3 LYS 7 HD1 LYS 7 181.244 -7.436 11.493 350 HE2 LYS 7 HE2 LYS 7 178.983 -6.508 11.561 351 HE3 LYS 7 HE1 LYS 7 178.313 -8.109 11.251 352 HZ1 LYS 7 HZ1 LYS 7 179.276 -8.870 13.336 353 HZ2 LYS 7 HZ2 LYS 7 178.234 -7.566 13.599 354 HZ3 LYS 7 HZ3 LYS 7 179.908 -7.329 13.634 355 H LEU 8 HN LEU 8 179.945 -6.733 5.982 356 HA LEU 8 HA LEU 8 180.951 -4.021 6.544 357 HB2 LEU 8 HB2 LEU 8 181.355 -5.009 4.185 358 HB3 LEU 8 HB1 LEU 8 179.637 -4.766 3.950 359 HG LEU 8 HG LEU 8 180.865 -2.914 3.000 360 HD11 LEU 8 HD11 LEU 8 179.540 -2.023 5.553 361 HD12 LEU 8 HD12 LEU 8 178.684 -2.470 4.077 362 HD13 LEU 8 HD13 LEU 8 179.763 -1.075 4.085 363 HD21 LEU 8 HD21 LEU 8 182.227 -1.436 4.393 364 HD22 LEU 8 HD22 LEU 8 182.884 -3.071 4.345 365 HD23 LEU 8 HD23 LEU 8 181.997 -2.519 5.765 366 H VAL 9 HN VAL 9 179.497 -3.117 7.852 367 HA VAL 9 HA VAL 9 176.652 -3.330 7.116 368 HB VAL 9 HB VAL 9 176.071 -3.191 9.513 369 HG11 VAL 9 HG11 VAL 9 176.684 -5.498 10.098 370 HG12 VAL 9 HG12 VAL 9 177.855 -5.510 8.780 371 HG13 VAL 9 HG13 VAL 9 176.133 -5.361 8.429 372 HG21 VAL 9 HG21 VAL 9 179.036 -3.540 9.950 373 HG22 VAL 9 HG22 VAL 9 177.798 -3.605 11.204 374 HG23 VAL 9 HG23 VAL 9 178.089 -2.102 10.330 375 H CYS 10 HN CYS 10 175.363 -1.497 7.505 376 HA CYS 10 HA CYS 10 176.901 0.990 7.867 377 HB2 CYS 10 HB2 CYS 10 175.921 0.759 5.629 378 HB3 CYS 10 HB1 CYS 10 174.325 0.543 6.341 379 HG CYS 10 HG CYS 10 176.190 3.390 6.181 380 H ASP 11 HN ASP 11 176.163 2.556 9.255 381 HA ASP 11 HA ASP 11 173.978 1.734 11.045 382 HB2 ASP 11 HB2 ASP 11 176.176 1.969 12.129 383 HB3 ASP 11 HB1 ASP 11 176.271 3.637 11.573 384 H GLY 12 HN GLY 12 172.123 2.770 10.758 385 HA2 GLY 12 HA2 GLY 12 172.017 5.249 9.279 386 HA3 GLY 12 HA1 GLY 12 170.647 4.346 9.906 387 H ASP 13 HN ASP 13 172.034 4.331 12.613 388 HA ASP 13 HA ASP 13 170.653 6.458 13.768 389 HB2 ASP 13 HB2 ASP 13 173.061 4.972 14.841 390 HB3 ASP 13 HB1 ASP 13 171.987 5.990 15.796 391 H THR 14 HN THR 14 173.927 6.267 12.525 392 HA THR 14 HA THR 14 174.171 9.171 12.914 393 HB THR 14 HB THR 14 176.562 8.926 13.436 394 HG1 THR 14 HG1 THR 14 177.214 6.713 14.060 395 HG21 THR 14 HG21 THR 14 174.764 7.347 15.280 396 HG22 THR 14 HG22 THR 14 174.958 9.099 15.275 397 HG23 THR 14 HG23 THR 14 176.315 8.063 15.718 398 H TYR 15 HN TYR 15 173.778 6.977 10.664 399 HA TYR 15 HA TYR 15 174.270 6.782 8.455 400 HB2 TYR 15 HB2 TYR 15 175.411 9.567 8.744 401 HB3 TYR 15 HB1 TYR 15 174.875 8.798 7.253 402 HD1 TYR 15 HD1 TYR 15 172.343 7.935 7.363 403 HD2 TYR 15 HD2 TYR 15 173.971 11.065 9.739 404 HE1 TYR 15 HE1 TYR 15 170.084 8.847 7.698 405 HE2 TYR 15 HE2 TYR 15 171.717 11.985 10.083 406 HH TYR 15 HH TYR 15 169.520 11.937 8.983 407 H LYS 16 HN LYS 16 176.358 6.199 10.592 408 HA LYS 16 HA LYS 16 178.817 6.537 9.051 409 HB2 LYS 16 HB2 LYS 16 178.331 5.511 11.852 410 HB3 LYS 16 HB1 LYS 16 179.915 5.600 11.094 411 HG2 LYS 16 HG2 LYS 16 179.667 8.031 10.884 412 HG3 LYS 16 HG1 LYS 16 178.097 7.927 11.683 413 HD2 LYS 16 HD2 LYS 16 179.149 7.052 13.691 414 HD3 LYS 16 HD1 LYS 16 180.724 7.064 12.893 415 HE2 LYS 16 HE2 LYS 16 180.596 9.494 12.672 416 HE3 LYS 16 HE1 LYS 16 179.015 9.487 13.451 417 HZ1 LYS 16 HZ1 LYS 16 180.047 8.603 15.451 418 HZ2 LYS 16 HZ2 LYS 16 180.762 10.070 15.009 419 HZ3 LYS 16 HZ3 LYS 16 181.565 8.614 14.701 420 H CYS 17 HN CYS 17 179.574 4.983 7.787 421 HA CYS 17 HA CYS 17 178.401 2.311 7.971 422 HB2 CYS 17 HB2 CYS 17 178.377 3.405 5.775 423 HB3 CYS 17 HB1 CYS 17 180.130 3.553 5.820 424 HG CYS 17 HG CYS 17 180.277 0.601 6.059 425 H THR 18 HN THR 18 179.435 0.906 9.218 426 HA THR 18 HA THR 18 182.307 1.155 9.648 427 HB THR 18 HB THR 18 180.356 -0.793 10.895 428 HG1 THR 18 HG1 THR 18 181.465 1.547 12.073 429 HG21 THR 18 HG21 THR 18 182.674 -1.565 10.984 430 HG22 THR 18 HG22 THR 18 182.112 -1.091 12.588 431 HG23 THR 18 HG23 THR 18 183.172 -0.020 11.673 432 H ALA 19 HN ALA 19 183.768 -0.584 9.330 433 HA ALA 19 HA ALA 19 182.853 -2.839 7.720 434 HB1 ALA 19 HB1 ALA 19 184.433 -2.485 5.956 435 HB2 ALA 19 HB2 ALA 19 185.114 -1.083 6.783 436 HB3 ALA 19 HB3 ALA 19 183.474 -1.016 6.140 437 H TYR 20 HN TYR 20 183.931 -4.678 8.152 438 HA TYR 20 HA TYR 20 186.149 -4.508 10.061 439 HB2 TYR 20 HB2 TYR 20 184.368 -6.828 9.292 440 HB3 TYR 20 HB1 TYR 20 185.687 -6.925 10.454 441 HD1 TYR 20 HD1 TYR 20 185.400 -6.201 12.694 442 HD2 TYR 20 HD2 TYR 20 182.390 -5.379 9.802 443 HE1 TYR 20 HE1 TYR 20 183.877 -5.494 14.490 444 HE2 TYR 20 HE2 TYR 20 180.857 -4.670 11.590 445 HH TYR 20 HH TYR 20 180.552 -5.024 14.001 446 H LEU 21 HN LEU 21 188.128 -4.616 9.255 447 HA LEU 21 HA LEU 21 188.633 -5.674 6.625 448 HB2 LEU 21 HB2 LEU 21 190.558 -4.674 8.726 449 HB3 LEU 21 HB1 LEU 21 190.964 -5.025 7.058 450 HG LEU 21 HG LEU 21 189.104 -2.846 8.008 451 HD11 LEU 21 HD11 LEU 21 191.852 -2.728 6.772 452 HD12 LEU 21 HD12 LEU 21 191.450 -2.368 8.450 453 HD13 LEU 21 HD13 LEU 21 190.833 -1.341 7.156 454 HD21 LEU 21 HD21 LEU 21 188.369 -3.768 5.877 455 HD22 LEU 21 HD22 LEU 21 189.995 -3.574 5.220 456 HD23 LEU 21 HD23 LEU 21 189.048 -2.153 5.661 457 H ASP 22 HN ASP 22 190.403 -7.240 6.237 458 HA ASP 22 HA ASP 22 190.150 -9.490 8.094 459 HB2 ASP 22 HB2 ASP 22 189.613 -9.856 5.701 460 HB3 ASP 22 HB1 ASP 22 191.268 -9.425 5.281 461 H TYR 23 HN TYR 23 191.959 -7.070 8.387 462 HA TYR 23 HA TYR 23 194.627 -8.117 8.106 463 HB2 TYR 23 HB2 TYR 23 194.159 -5.712 7.833 464 HB3 TYR 23 HB1 TYR 23 193.643 -5.626 9.513 465 HD1 TYR 23 HD1 TYR 23 195.277 -5.752 11.325 466 HD2 TYR 23 HD2 TYR 23 196.500 -5.852 7.251 467 HE1 TYR 23 HE1 TYR 23 197.589 -5.278 12.013 468 HE2 TYR 23 HE2 TYR 23 198.815 -5.379 7.928 469 HH TYR 23 HH TYR 23 200.013 -4.369 9.815 470 H GLY 24 HN GLY 24 195.932 -8.948 9.672 471 HA2 GLY 24 HA2 GLY 24 196.520 -9.952 11.651 472 HA3 GLY 24 HA1 GLY 24 195.543 -8.723 12.441 473 H ASP 25 HN ASP 25 194.027 -9.539 13.707 474 HA ASP 25 HA ASP 25 192.971 -12.210 13.110 475 HB2 ASP 25 HB2 ASP 25 192.221 -12.241 15.449 476 HB3 ASP 25 HB1 ASP 25 193.948 -11.913 15.340 477 H GLY 26 HN GLY 26 192.041 -8.867 13.533 478 HA2 GLY 26 HA2 GLY 26 190.003 -8.426 12.044 479 HA3 GLY 26 HA1 GLY 26 189.222 -9.601 13.092 480 H LYS 27 HN LYS 27 191.473 -6.969 13.882 481 HA LYS 27 HA LYS 27 189.457 -5.939 15.756 482 HB2 LYS 27 HB2 LYS 27 192.452 -5.533 15.696 483 HB3 LYS 27 HB1 LYS 27 191.363 -4.816 16.876 484 HG2 LYS 27 HG2 LYS 27 190.737 -7.048 17.655 485 HG3 LYS 27 HG1 LYS 27 191.838 -7.763 16.476 486 HD2 LYS 27 HD2 LYS 27 193.726 -6.655 17.552 487 HD3 LYS 27 HD1 LYS 27 192.632 -5.895 18.711 488 HE2 LYS 27 HE2 LYS 27 191.981 -8.106 19.537 489 HE3 LYS 27 HE1 LYS 27 193.077 -8.861 18.380 490 HZ1 LYS 27 HZ1 LYS 27 194.072 -8.713 20.574 491 HZ2 LYS 27 HZ2 LYS 27 193.879 -7.033 20.580 492 HZ3 LYS 27 HZ3 LYS 27 194.929 -7.758 19.472 493 H TRP 28 HN TRP 28 191.836 -4.888 13.341 494 HA TRP 28 HA TRP 28 191.168 -2.152 13.395 495 HB2 TRP 28 HB2 TRP 28 192.302 -3.775 11.105 496 HB3 TRP 28 HB1 TRP 28 192.332 -2.019 11.236 497 HD1 TRP 28 HD1 TRP 28 193.862 -5.147 12.887 498 HE1 TRP 28 HE1 TRP 28 196.065 -4.460 14.027 499 HE3 TRP 28 HE3 TRP 28 193.610 -0.093 12.162 500 HZ2 TRP 28 HZ2 TRP 28 197.505 -2.090 14.549 501 HZ3 TRP 28 HZ3 TRP 28 195.441 1.313 13.012 502 HH2 TRP 28 HH2 TRP 28 197.348 0.334 14.182 503 H VAL 29 HN VAL 29 189.586 -0.995 12.437 504 HA VAL 29 HA VAL 29 187.960 -2.245 10.355 505 HB VAL 29 HB VAL 29 185.863 -1.731 11.422 506 HG11 VAL 29 HG11 VAL 29 187.687 -3.228 13.299 507 HG12 VAL 29 HG12 VAL 29 186.828 -3.904 11.914 508 HG13 VAL 29 HG13 VAL 29 185.924 -3.301 13.305 509 HG21 VAL 29 HG21 VAL 29 186.449 0.269 12.640 510 HG22 VAL 29 HG22 VAL 29 187.520 -0.648 13.700 511 HG23 VAL 29 HG23 VAL 29 185.777 -0.914 13.763 512 H ALA 30 HN ALA 30 187.157 -0.838 8.872 513 HA ALA 30 HA ALA 30 188.169 1.846 8.895 514 HB1 ALA 30 HB1 ALA 30 188.038 0.579 6.811 515 HB2 ALA 30 HB2 ALA 30 187.071 2.051 6.712 516 HB3 ALA 30 HB3 ALA 30 186.284 0.493 6.964 517 H GLN 31 HN GLN 31 186.715 3.742 8.503 518 HA GLN 31 HA GLN 31 183.987 3.510 9.395 519 HB2 GLN 31 HB2 GLN 31 185.548 3.549 11.467 520 HB3 GLN 31 HB1 GLN 31 185.754 5.252 11.084 521 HG2 GLN 31 HG2 GLN 31 184.028 4.804 12.793 522 HG3 GLN 31 HG1 GLN 31 183.423 5.672 11.380 523 HE21 GLN 31 HE21 GLN 31 182.029 4.627 9.960 524 HE22 GLN 31 HE22 GLN 31 181.209 3.166 10.383 525 H TRP 32 HN TRP 32 182.995 4.749 7.959 526 HA TRP 32 HA TRP 32 183.957 7.486 7.557 527 HB2 TRP 32 HB2 TRP 32 183.605 7.340 5.143 528 HB3 TRP 32 HB1 TRP 32 184.800 6.158 5.663 529 HD1 TRP 32 HD1 TRP 32 181.223 6.405 4.320 530 HE1 TRP 32 HE1 TRP 32 180.511 4.090 3.449 531 HE3 TRP 32 HE3 TRP 32 185.227 3.663 5.928 532 HZ2 TRP 32 HZ2 TRP 32 181.512 1.453 3.442 533 HZ3 TRP 32 HZ3 TRP 32 185.272 1.250 5.447 534 HH2 TRP 32 HH2 TRP 32 183.451 0.169 4.230 535 H ASP 33 HN ASP 33 182.329 8.969 6.843 536 HA ASP 33 HA ASP 33 179.668 8.176 7.741 537 HB2 ASP 33 HB2 ASP 33 180.789 10.907 7.077 538 HB3 ASP 33 HB1 ASP 33 179.182 10.598 7.726 539 H THR 34 HN THR 34 177.766 8.934 6.534 540 HA THR 34 HA THR 34 178.102 9.479 3.710 541 HB THR 34 HB THR 34 176.787 7.565 2.939 542 HG1 THR 34 HG1 THR 34 175.789 6.317 4.326 543 HG21 THR 34 HG21 THR 34 179.140 6.666 4.604 544 HG22 THR 34 HG22 THR 34 179.252 7.397 3.002 545 HG23 THR 34 HG23 THR 34 178.463 5.832 3.204 546 H ALA 35 HN ALA 35 175.702 9.219 2.694 547 HA ALA 35 HA ALA 35 173.891 10.613 4.556 548 HB1 ALA 35 HB1 ALA 35 174.156 11.043 1.583 549 HB2 ALA 35 HB2 ALA 35 174.759 12.121 2.842 550 HB3 ALA 35 HB3 ALA 35 173.024 11.869 2.652 551 H VAL 36 HN VAL 36 172.446 9.109 5.156 552 HA VAL 36 HA VAL 36 171.321 7.326 3.112 553 HB VAL 36 HB VAL 36 171.001 7.146 6.110 554 HG11 VAL 36 HG11 VAL 36 170.419 5.162 3.914 555 HG12 VAL 36 HG12 VAL 36 169.224 6.047 4.863 556 HG13 VAL 36 HG13 VAL 36 170.264 4.856 5.644 557 HG21 VAL 36 HG21 VAL 36 172.657 5.340 6.014 558 HG22 VAL 36 HG22 VAL 36 173.344 6.883 5.503 559 HG23 VAL 36 HG23 VAL 36 172.909 5.668 4.300 560 H PHE 37 HN PHE 37 169.194 7.360 2.574 561 HA PHE 37 HA PHE 37 167.338 8.978 4.136 562 HB2 PHE 37 HB2 PHE 37 166.556 10.182 2.109 563 HB3 PHE 37 HB1 PHE 37 168.209 10.590 2.555 564 HD1 PHE 37 HD1 PHE 37 170.059 9.996 1.150 565 HD2 PHE 37 HD2 PHE 37 166.092 8.842 0.127 566 HE1 PHE 37 HE1 PHE 37 170.815 9.424 -1.121 567 HE2 PHE 37 HE2 PHE 37 166.841 8.268 -2.145 568 HZ PHE 37 HZ PHE 37 169.205 8.559 -2.771 569 H HIS 38 HN HIS 38 165.101 8.624 3.569 570 HA HIS 38 HA HIS 38 164.662 5.893 2.674 571 HB2 HIS 38 HB2 HIS 38 163.588 6.642 4.748 572 HB3 HIS 38 HB1 HIS 38 162.750 7.915 3.865 573 HD1 HIS 38 HD1 HIS 38 160.602 7.295 2.690 574 HD2 HIS 38 HD2 HIS 38 162.643 3.995 4.179 575 HE1 HIS 38 HE1 HIS 38 159.017 5.358 2.445 576 HE2 HIS 38 HE2 HIS 38 160.273 3.371 3.352 577 H THR 39 HN THR 39 163.499 5.294 0.898 578 HA THR 39 HA THR 39 162.948 7.421 -1.045 579 HB THR 39 HB THR 39 162.913 5.631 -2.738 580 HG1 THR 39 HG1 THR 39 163.422 3.515 -2.120 581 HG21 THR 39 HG21 THR 39 165.030 6.747 -2.237 582 HG22 THR 39 HG22 THR 39 165.297 5.054 -2.651 583 HG23 THR 39 HG23 THR 39 165.359 5.570 -0.965 584 H THR 40 HN THR 40 161.002 7.407 -2.275 585 HA THR 40 HA THR 40 158.793 5.856 -1.107 586 HB THR 40 HB THR 40 157.311 7.814 -1.288 587 HG1 THR 40 HG1 THR 40 158.048 9.344 -2.558 588 HG21 THR 40 HG21 THR 40 158.204 9.081 0.614 589 HG22 THR 40 HG22 THR 40 159.779 8.324 0.378 590 HG23 THR 40 HG23 THR 40 158.392 7.344 0.854 591 H1 ALA 1 HT1 ALA 1 174.710 4.026 -14.825 592 H2 ALA 1 HT2 ALA 1 173.978 3.641 -16.300 593 H3 ALA 1 HT3 ALA 1 175.465 2.947 -15.888 594 HA ALA 1 HA ALA 1 172.898 2.494 -14.483 595 HB1 ALA 1 HB1 ALA 1 174.471 0.648 -16.274 596 HB2 ALA 1 HB2 ALA 1 172.963 1.457 -16.700 597 HB3 ALA 1 HB3 ALA 1 172.984 0.248 -15.416 598 HA PRO 2 HA PRO 2 175.349 1.139 -11.074 599 HB2 PRO 2 HB2 PRO 2 173.710 -0.723 -9.974 600 HB3 PRO 2 HB1 PRO 2 173.390 1.014 -9.871 601 HG2 PRO 2 HG2 PRO 2 172.208 -1.004 -11.723 602 HG3 PRO 2 HG1 PRO 2 171.417 0.328 -10.858 603 HD2 PRO 2 HD2 PRO 2 172.088 0.492 -13.473 604 HD3 PRO 2 HD1 PRO 2 172.078 1.901 -12.394 605 H VAL 3 HN VAL 3 176.954 -0.292 -10.755 606 HA VAL 3 HA VAL 3 176.788 -2.886 -12.143 607 HB VAL 3 HB VAL 3 179.233 -2.783 -12.476 608 HG11 VAL 3 HG11 VAL 3 177.737 -2.119 -14.277 609 HG12 VAL 3 HG12 VAL 3 179.207 -1.144 -14.298 610 HG13 VAL 3 HG13 VAL 3 177.708 -0.466 -13.661 611 HG21 VAL 3 HG21 VAL 3 180.316 -0.525 -12.264 612 HG22 VAL 3 HG22 VAL 3 179.934 -1.319 -10.737 613 HG23 VAL 3 HG23 VAL 3 178.908 -0.015 -11.334 614 HA PRO 4 HA PRO 4 177.217 -4.434 -7.947 615 HB2 PRO 4 HB2 PRO 4 177.840 -6.948 -9.395 616 HB3 PRO 4 HB1 PRO 4 176.619 -6.635 -8.154 617 HG2 PRO 4 HG2 PRO 4 175.910 -6.956 -10.694 618 HG3 PRO 4 HG1 PRO 4 175.097 -5.771 -9.653 619 HD2 PRO 4 HD2 PRO 4 177.141 -5.322 -11.779 620 HD3 PRO 4 HD1 PRO 4 175.717 -4.351 -11.356 621 H VAL 5 HN VAL 5 178.943 -4.600 -6.639 622 HA VAL 5 HA VAL 5 181.580 -4.396 -7.754 623 HB VAL 5 HB VAL 5 180.777 -4.737 -4.860 624 HG11 VAL 5 HG11 VAL 5 183.121 -5.252 -5.265 625 HG12 VAL 5 HG12 VAL 5 182.963 -3.736 -4.380 626 HG13 VAL 5 HG13 VAL 5 183.328 -3.715 -6.104 627 HG21 VAL 5 HG21 VAL 5 179.713 -2.776 -5.843 628 HG22 VAL 5 HG22 VAL 5 181.274 -2.216 -6.442 629 HG23 VAL 5 HG23 VAL 5 180.974 -2.301 -4.706 630 H THR 6 HN THR 6 183.135 -5.923 -7.910 631 HA THR 6 HA THR 6 182.378 -8.665 -7.166 632 HB THR 6 HB THR 6 184.066 -9.412 -8.792 633 HG1 THR 6 HG1 THR 6 184.347 -6.637 -9.394 634 HG21 THR 6 HG21 THR 6 182.903 -8.698 -10.830 635 HG22 THR 6 HG22 THR 6 182.115 -7.405 -9.926 636 HG23 THR 6 HG23 THR 6 181.762 -9.089 -9.544 637 H LYS 7 HN LYS 7 185.033 -6.334 -7.022 638 HA LYS 7 HA LYS 7 186.187 -7.904 -4.817 639 HB2 LYS 7 HB2 LYS 7 187.536 -8.235 -6.853 640 HB3 LYS 7 HB1 LYS 7 187.740 -6.495 -6.997 641 HG2 LYS 7 HG2 LYS 7 188.950 -6.456 -4.878 642 HG3 LYS 7 HG1 LYS 7 188.737 -8.201 -4.724 643 HD2 LYS 7 HD2 LYS 7 190.003 -8.534 -6.796 644 HD3 LYS 7 HD1 LYS 7 190.220 -6.789 -6.942 645 HE2 LYS 7 HE2 LYS 7 191.448 -6.768 -4.826 646 HE3 LYS 7 HE1 LYS 7 191.221 -8.509 -4.674 647 HZ1 LYS 7 HZ1 LYS 7 192.497 -8.812 -6.707 648 HZ2 LYS 7 HZ2 LYS 7 193.405 -7.983 -5.546 649 HZ3 LYS 7 HZ3 LYS 7 192.720 -7.140 -6.842 650 H LEU 8 HN LEU 8 186.077 -6.743 -3.019 651 HA LEU 8 HA LEU 8 186.550 -3.839 -3.191 652 HB2 LEU 8 HB2 LEU 8 184.138 -4.658 -2.727 653 HB3 LEU 8 HB1 LEU 8 184.744 -5.077 -1.138 654 HG LEU 8 HG LEU 8 183.653 -2.922 -1.056 655 HD11 LEU 8 HD11 LEU 8 186.635 -2.532 -0.900 656 HD12 LEU 8 HD12 LEU 8 185.652 -3.298 0.348 657 HD13 LEU 8 HD13 LEU 8 185.394 -1.602 -0.060 658 HD21 LEU 8 HD21 LEU 8 184.498 -1.013 -2.331 659 HD22 LEU 8 HD22 LEU 8 183.899 -2.289 -3.391 660 HD23 LEU 8 HD23 LEU 8 185.635 -2.073 -3.163 661 H VAL 9 HN VAL 9 188.498 -3.512 -2.330 662 HA VAL 9 HA VAL 9 189.100 -4.784 0.258 663 HB VAL 9 HB VAL 9 191.488 -4.818 -0.368 664 HG11 VAL 9 HG11 VAL 9 191.358 -6.717 -1.922 665 HG12 VAL 9 HG12 VAL 9 189.670 -6.322 -2.247 666 HG13 VAL 9 HG13 VAL 9 190.163 -6.833 -0.631 667 HG21 VAL 9 HG21 VAL 9 190.482 -4.029 -3.101 668 HG22 VAL 9 HG22 VAL 9 192.131 -4.522 -2.718 669 HG23 VAL 9 HG23 VAL 9 191.472 -3.038 -2.029 670 H CYS 10 HN CYS 10 190.314 -3.554 1.736 671 HA CYS 10 HA CYS 10 190.336 -0.667 1.153 672 HB2 CYS 10 HB2 CYS 10 188.774 -1.294 2.938 673 HB3 CYS 10 HB1 CYS 10 190.084 -2.073 3.820 674 HG CYS 10 HG CYS 10 189.558 1.260 3.342 675 H ASP 11 HN ASP 11 192.138 0.544 1.616 676 HA ASP 11 HA ASP 11 194.563 -0.994 2.258 677 HB2 ASP 11 HB2 ASP 11 194.562 0.067 0.036 678 HB3 ASP 11 HB1 ASP 11 194.297 1.639 0.786 679 H GLY 12 HN GLY 12 195.311 -0.727 4.250 680 HA2 GLY 12 HA2 GLY 12 194.455 1.501 5.876 681 HA3 GLY 12 HA1 GLY 12 195.480 0.168 6.385 682 H ASP 13 HN ASP 13 197.231 0.729 3.962 683 HA ASP 13 HA ASP 13 199.206 2.215 5.248 684 HB2 ASP 13 HB2 ASP 13 198.827 1.755 2.281 685 HB3 ASP 13 HB1 ASP 13 200.312 2.322 3.040 686 H THR 14 HN THR 14 196.609 3.229 3.120 687 HA THR 14 HA THR 14 197.304 6.023 3.714 688 HB THR 14 HB THR 14 196.647 6.697 1.442 689 HG1 THR 14 HG1 THR 14 196.548 4.898 -0.130 690 HG21 THR 14 HG21 THR 14 198.823 4.602 1.489 691 HG22 THR 14 HG22 THR 14 199.012 6.301 1.923 692 HG23 THR 14 HG23 THR 14 198.625 5.853 0.261 693 H TYR 15 HN TYR 15 195.155 3.789 4.367 694 HA TYR 15 HA TYR 15 192.961 3.743 4.958 695 HB2 TYR 15 HB2 TYR 15 193.146 6.758 4.831 696 HB3 TYR 15 HB1 TYR 15 191.955 5.813 5.719 697 HD1 TYR 15 HD1 TYR 15 193.055 4.072 7.432 698 HD2 TYR 15 HD2 TYR 15 194.907 7.635 6.029 699 HE1 TYR 15 HE1 TYR 15 194.513 4.086 9.411 700 HE2 TYR 15 HE2 TYR 15 196.372 7.658 8.005 701 HH TYR 15 HH TYR 15 196.386 6.772 10.296 702 H LYS 16 HN LYS 16 193.805 4.026 2.047 703 HA LYS 16 HA LYS 16 191.398 5.221 0.899 704 HB2 LYS 16 HB2 LYS 16 193.914 4.151 -0.388 705 HB3 LYS 16 HB1 LYS 16 192.549 4.804 -1.283 706 HG2 LYS 16 HG2 LYS 16 192.863 6.964 -0.162 707 HG3 LYS 16 HG1 LYS 16 194.256 6.301 0.696 708 HD2 LYS 16 HD2 LYS 16 195.406 5.926 -1.410 709 HD3 LYS 16 HD1 LYS 16 193.998 6.504 -2.304 710 HE2 LYS 16 HE2 LYS 16 194.248 8.706 -1.277 711 HE3 LYS 16 HE1 LYS 16 195.644 8.129 -0.368 712 HZ1 LYS 16 HZ1 LYS 16 196.795 7.737 -2.458 713 HZ2 LYS 16 HZ2 LYS 16 196.320 9.355 -2.333 714 HZ3 LYS 16 HZ3 LYS 16 195.455 8.294 -3.328 715 H CYS 17 HN CYS 17 189.698 4.032 0.365 716 HA CYS 17 HA CYS 17 189.962 1.121 0.331 717 HB2 CYS 17 HB2 CYS 17 188.218 2.077 1.767 718 HB3 CYS 17 HB1 CYS 17 187.492 2.868 0.372 719 HG CYS 17 HG CYS 17 187.165 0.188 -0.856 720 H THR 18 HN THR 18 190.367 0.229 -1.578 721 HA THR 18 HA THR 18 189.491 1.537 -4.030 722 HB THR 18 HB THR 18 191.155 -0.968 -3.698 723 HG1 THR 18 HG1 THR 18 192.063 1.643 -4.373 724 HG21 THR 18 HG21 THR 18 190.067 -0.821 -5.882 725 HG22 THR 18 HG22 THR 18 191.804 -0.555 -6.031 726 HG23 THR 18 HG23 THR 18 190.694 0.814 -6.095 727 H ALA 19 HN ALA 19 188.276 0.460 -5.650 728 HA ALA 19 HA ALA 19 186.916 -2.009 -4.898 729 HB1 ALA 19 HB1 ALA 19 184.711 -1.131 -5.219 730 HB2 ALA 19 HB2 ALA 19 185.353 0.441 -5.694 731 HB3 ALA 19 HB3 ALA 19 185.539 -0.121 -4.034 732 H TYR 20 HN TYR 20 186.516 -3.306 -6.599 733 HA TYR 20 HA TYR 20 187.220 -2.279 -9.253 734 HB2 TYR 20 HB2 TYR 20 186.977 -5.113 -8.221 735 HB3 TYR 20 HB1 TYR 20 187.387 -4.686 -9.879 736 HD1 TYR 20 HD1 TYR 20 189.600 -4.071 -10.471 737 HD2 TYR 20 HD2 TYR 20 188.547 -4.492 -6.371 738 HE1 TYR 20 HE1 TYR 20 191.977 -3.942 -9.853 739 HE2 TYR 20 HE2 TYR 20 190.921 -4.364 -5.742 740 HH TYR 20 HH TYR 20 193.122 -4.753 -6.764 741 H LEU 21 HN LEU 21 185.603 -1.662 -10.511 742 HA LEU 21 HA LEU 21 182.897 -2.513 -10.022 743 HB2 LEU 21 HB2 LEU 21 184.036 -0.823 -12.251 744 HB3 LEU 21 HB1 LEU 21 182.331 -1.036 -11.901 745 HG LEU 21 HG LEU 21 184.351 0.317 -10.113 746 HD11 LEU 21 HD11 LEU 21 182.046 1.420 -11.713 747 HD12 LEU 21 HD12 LEU 21 183.759 1.643 -12.066 748 HD13 LEU 21 HD13 LEU 21 183.064 2.337 -10.602 749 HD21 LEU 21 HD21 LEU 21 182.663 -0.858 -8.808 750 HD22 LEU 21 HD22 LEU 21 181.385 -0.090 -9.749 751 HD23 LEU 21 HD23 LEU 21 182.426 0.886 -8.713 752 H ASP 22 HN ASP 22 181.510 -3.317 -11.800 753 HA ASP 22 HA ASP 22 182.896 -5.458 -13.239 754 HB2 ASP 22 HB2 ASP 22 180.976 -6.050 -11.784 755 HB3 ASP 22 HB1 ASP 22 179.932 -5.044 -12.782 756 H TYR 23 HN TYR 23 182.724 -2.534 -14.032 757 HA TYR 23 HA TYR 23 181.109 -2.519 -16.416 758 HB2 TYR 23 HB2 TYR 23 181.463 -0.467 -15.096 759 HB3 TYR 23 HB1 TYR 23 183.186 -0.542 -15.450 760 HD1 TYR 23 HD1 TYR 23 184.020 -0.011 -17.684 761 HD2 TYR 23 HD2 TYR 23 179.876 0.261 -16.765 762 HE1 TYR 23 HE1 TYR 23 183.660 1.304 -19.730 763 HE2 TYR 23 HE2 TYR 23 179.503 1.576 -18.808 764 HH TYR 23 HH TYR 23 180.782 3.001 -20.341 765 H GLY 24 HN GLY 24 181.764 -2.769 -18.503 766 HA2 GLY 24 HA2 GLY 24 183.078 -3.438 -20.262 767 HA3 GLY 24 HA1 GLY 24 184.407 -2.643 -19.433 768 H ASP 25 HN ASP 25 186.073 -3.938 -19.081 769 HA ASP 25 HA ASP 25 185.597 -6.823 -18.839 770 HB2 ASP 25 HB2 ASP 25 187.985 -7.078 -19.358 771 HB3 ASP 25 HB1 ASP 25 187.164 -6.133 -20.597 772 H GLY 26 HN GLY 26 186.921 -4.056 -17.161 773 HA2 GLY 26 HA2 GLY 26 186.601 -4.438 -14.647 774 HA3 GLY 26 HA1 GLY 26 187.686 -5.794 -14.907 775 H LYS 27 HN LYS 27 187.787 -2.498 -16.227 776 HA LYS 27 HA LYS 27 190.506 -2.252 -15.138 777 HB2 LYS 27 HB2 LYS 27 189.169 -0.762 -17.404 778 HB3 LYS 27 HB1 LYS 27 190.809 -0.475 -16.841 779 HG2 LYS 27 HG2 LYS 27 191.420 -2.761 -17.456 780 HG3 LYS 27 HG1 LYS 27 189.774 -3.042 -18.028 781 HD2 LYS 27 HD2 LYS 27 190.044 -1.289 -19.701 782 HD3 LYS 27 HD1 LYS 27 191.676 -0.963 -19.112 783 HE2 LYS 27 HE2 LYS 27 192.343 -3.240 -19.721 784 HE3 LYS 27 HE1 LYS 27 190.713 -3.558 -20.313 785 HZ1 LYS 27 HZ1 LYS 27 192.216 -3.002 -22.117 786 HZ2 LYS 27 HZ2 LYS 27 192.577 -1.515 -21.398 787 HZ3 LYS 27 HZ3 LYS 27 191.013 -1.821 -21.966 788 H TRP 28 HN TRP 28 187.479 -0.445 -15.562 789 HA TRP 28 HA TRP 28 188.264 1.847 -14.125 790 HB2 TRP 28 HB2 TRP 28 185.483 0.712 -14.499 791 HB3 TRP 28 HB1 TRP 28 185.864 2.355 -13.994 792 HD1 TRP 28 HD1 TRP 28 186.126 0.059 -17.078 793 HE1 TRP 28 HE1 TRP 28 186.246 1.541 -19.179 794 HE3 TRP 28 HE3 TRP 28 186.409 4.639 -14.824 795 HZ2 TRP 28 HZ2 TRP 28 186.433 4.288 -19.799 796 HZ3 TRP 28 HZ3 TRP 28 186.556 6.644 -16.243 797 HH2 TRP 28 HH2 TRP 28 186.568 6.471 -18.678 798 H VAL 29 HN VAL 29 188.319 2.312 -11.995 799 HA VAL 29 HA VAL 29 187.024 0.501 -10.101 800 HB VAL 29 HB VAL 29 188.989 0.222 -8.734 801 HG11 VAL 29 HG11 VAL 29 189.577 -0.447 -11.616 802 HG12 VAL 29 HG12 VAL 29 188.640 -1.425 -10.485 803 HG13 VAL 29 HG13 VAL 29 190.363 -1.171 -10.212 804 HG21 VAL 29 HG21 VAL 29 190.113 2.322 -9.119 805 HG22 VAL 29 HG22 VAL 29 190.416 1.893 -10.803 806 HG23 VAL 29 HG23 VAL 29 191.212 0.999 -9.508 807 H ALA 30 HN ALA 30 186.308 1.475 -8.269 808 HA ALA 30 HA ALA 30 186.300 4.343 -8.196 809 HB1 ALA 30 HB1 ALA 30 184.326 3.072 -7.523 810 HB2 ALA 30 HB2 ALA 30 184.911 4.075 -6.194 811 HB3 ALA 30 HB3 ALA 30 185.237 2.343 -6.200 812 H GLN 31 HN GLN 31 186.912 5.553 -6.192 813 HA GLN 31 HA GLN 31 188.887 4.342 -4.480 814 HB2 GLN 31 HB2 GLN 31 190.011 5.005 -6.723 815 HB3 GLN 31 HB1 GLN 31 189.854 6.654 -6.135 816 HG2 GLN 31 HG2 GLN 31 192.059 5.633 -5.700 817 HG3 GLN 31 HG1 GLN 31 191.232 6.182 -4.243 818 HE21 GLN 31 HE21 GLN 31 190.444 4.662 -2.785 819 HE22 GLN 31 HE22 GLN 31 190.952 3.012 -2.814 820 H TRP 32 HN TRP 32 188.272 5.091 -2.572 821 HA TRP 32 HA TRP 32 187.921 7.982 -2.240 822 HB2 TRP 32 HB2 TRP 32 185.936 7.660 -0.850 823 HB3 TRP 32 HB1 TRP 32 185.666 7.018 -2.467 824 HD1 TRP 32 HD1 TRP 32 186.137 5.888 1.160 825 HE1 TRP 32 HE1 TRP 32 185.323 3.456 1.375 826 HE3 TRP 32 HE3 TRP 32 185.310 4.868 -3.780 827 HZ2 TRP 32 HZ2 TRP 32 184.446 1.381 -0.322 828 HZ3 TRP 32 HZ3 TRP 32 184.481 2.635 -4.400 829 HH2 TRP 32 HH2 TRP 32 184.060 0.928 -2.705 830 H ASP 33 HN ASP 33 188.264 8.735 -0.078 831 HA ASP 33 HA ASP 33 190.126 7.029 1.387 832 HB2 ASP 33 HB2 ASP 33 189.472 9.965 1.713 833 HB3 ASP 33 HB1 ASP 33 190.717 9.096 2.603 834 H THR 34 HN THR 34 190.042 6.998 3.761 835 HA THR 34 HA THR 34 187.497 7.565 5.020 836 HB THR 34 HB THR 34 187.108 5.283 5.810 837 HG1 THR 34 HG1 THR 34 188.577 3.785 5.538 838 HG21 THR 34 HG21 THR 34 187.366 5.361 2.804 839 HG22 THR 34 HG22 THR 34 186.026 6.046 3.724 840 HG23 THR 34 HG23 THR 34 186.309 4.305 3.741 841 H ALA 35 HN ALA 35 187.644 6.410 7.365 842 HA ALA 35 HA ALA 35 190.319 7.070 8.415 843 HB1 ALA 35 HB1 ALA 35 187.655 7.503 9.764 844 HB2 ALA 35 HB2 ALA 35 188.662 8.755 9.037 845 HB3 ALA 35 HB3 ALA 35 189.238 7.872 10.451 846 H VAL 36 HN VAL 36 191.257 5.151 8.797 847 HA VAL 36 HA VAL 36 189.683 3.032 10.084 848 HB VAL 36 HB VAL 36 192.433 2.813 8.853 849 HG11 VAL 36 HG11 VAL 36 190.449 0.706 9.704 850 HG12 VAL 36 HG12 VAL 36 191.961 1.104 10.519 851 HG13 VAL 36 HG13 VAL 36 191.989 0.403 8.901 852 HG21 VAL 36 HG21 VAL 36 191.316 1.752 6.945 853 HG22 VAL 36 HG22 VAL 36 190.803 3.427 7.152 854 HG23 VAL 36 HG23 VAL 36 189.748 2.112 7.668 855 H PHE 37 HN PHE 37 190.174 2.261 12.080 856 HA PHE 37 HA PHE 37 192.640 3.107 13.384 857 HB2 PHE 37 HB2 PHE 37 191.403 3.889 15.393 858 HB3 PHE 37 HB1 PHE 37 191.116 4.892 13.975 859 HD1 PHE 37 HD1 PHE 37 188.955 4.997 12.944 860 HD2 PHE 37 HD2 PHE 37 189.659 2.429 16.264 861 HE1 PHE 37 HE1 PHE 37 186.529 4.698 13.222 862 HE2 PHE 37 HE2 PHE 37 187.234 2.125 16.548 863 HZ PHE 37 HZ PHE 37 185.665 3.259 15.026 864 H HIS 38 HN HIS 38 193.094 1.934 15.352 865 HA HIS 38 HA HIS 38 192.069 -0.784 15.215 866 HB2 HIS 38 HB2 HIS 38 194.494 -0.443 15.349 867 HB3 HIS 38 HB1 HIS 38 194.300 0.408 16.879 868 HD1 HIS 38 HD1 HIS 38 194.135 -0.993 18.975 869 HD2 HIS 38 HD2 HIS 38 193.998 -3.262 15.497 870 HE1 HIS 38 HE1 HIS 38 194.323 -3.385 19.726 871 HE2 HIS 38 HE2 HIS 38 194.240 -4.742 17.604 872 H THR 39 HN THR 39 190.937 -1.811 16.806 873 HA THR 39 HA THR 39 189.817 -0.086 18.897 874 HB THR 39 HB THR 39 188.061 -1.798 19.130 875 HG1 THR 39 HG1 THR 39 188.036 -3.558 17.710 876 HG21 THR 39 HG21 THR 39 187.726 0.037 17.549 877 HG22 THR 39 HG22 THR 39 186.971 -1.444 16.959 878 HG23 THR 39 HG23 THR 39 188.507 -0.905 16.278 879 H THR 40 HN THR 40 189.611 -0.850 21.058 880 HA THR 40 HA THR 40 191.385 -3.086 21.770 881 HB THR 40 HB THR 40 192.207 -1.825 23.719 882 HG1 THR 40 HG1 THR 40 191.002 -0.159 24.242 883 HG21 THR 40 HG21 THR 40 193.677 -0.274 22.514 884 HG22 THR 40 HG22 THR 40 192.639 -0.396 21.094 885 HG23 THR 40 HG23 THR 40 193.526 -1.810 21.662 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 170.070 -0.073 14.055 2 H2 ALA 1 HT2 ALA 1 171.238 1.141 14.216 3 H3 ALA 1 HT3 ALA 1 170.456 0.534 15.588 4 HA ALA 1 HA ALA 1 172.687 -0.348 15.416 5 HB1 ALA 1 HB1 ALA 1 170.930 -1.698 16.454 6 HB2 ALA 1 HB2 ALA 1 172.126 -2.705 15.638 7 HB3 ALA 1 HB3 ALA 1 170.556 -2.415 14.886 8 HA PRO 2 HA PRO 2 174.606 -1.077 11.524 9 HB2 PRO 2 HB2 PRO 2 175.710 -3.563 12.735 10 HB3 PRO 2 HB1 PRO 2 176.555 -2.221 11.952 11 HG2 PRO 2 HG2 PRO 2 176.616 -2.484 14.591 12 HG3 PRO 2 HG1 PRO 2 176.495 -0.884 13.831 13 HD2 PRO 2 HD2 PRO 2 174.387 -2.489 15.192 14 HD3 PRO 2 HD1 PRO 2 174.631 -0.731 15.163 15 H VAL 3 HN VAL 3 174.091 -2.102 9.662 16 HA VAL 3 HA VAL 3 172.690 -4.680 9.831 17 HB VAL 3 HB VAL 3 171.127 -3.958 8.069 18 HG11 VAL 3 HG11 VAL 3 170.441 -3.826 10.399 19 HG12 VAL 3 HG12 VAL 3 169.734 -2.505 9.470 20 HG13 VAL 3 HG13 VAL 3 171.116 -2.202 10.522 21 HG21 VAL 3 HG21 VAL 3 172.490 -2.224 7.036 22 HG22 VAL 3 HG22 VAL 3 172.358 -1.234 8.489 23 HG23 VAL 3 HG23 VAL 3 170.924 -1.574 7.520 24 HA PRO 4 HA PRO 4 175.533 -5.787 6.616 25 HB2 PRO 4 HB2 PRO 4 174.351 -8.039 5.716 26 HB3 PRO 4 HB1 PRO 4 175.148 -7.960 7.295 27 HG2 PRO 4 HG2 PRO 4 172.239 -7.793 6.653 28 HG3 PRO 4 HG1 PRO 4 173.053 -8.662 7.969 29 HD2 PRO 4 HD2 PRO 4 171.834 -6.256 8.314 30 HD3 PRO 4 HD1 PRO 4 173.218 -6.797 9.284 31 H VAL 5 HN VAL 5 175.803 -5.428 4.465 32 HA VAL 5 HA VAL 5 173.593 -4.256 3.018 33 HB VAL 5 HB VAL 5 176.426 -4.738 2.084 34 HG11 VAL 5 HG11 VAL 5 174.267 -2.921 1.019 35 HG12 VAL 5 HG12 VAL 5 174.870 -4.388 0.248 36 HG13 VAL 5 HG13 VAL 5 175.930 -2.991 0.435 37 HG21 VAL 5 HG21 VAL 5 176.388 -3.339 4.079 38 HG22 VAL 5 HG22 VAL 5 175.197 -2.278 3.325 39 HG23 VAL 5 HG23 VAL 5 176.825 -2.393 2.657 40 H THR 6 HN THR 6 172.301 -5.297 1.654 41 HA THR 6 HA THR 6 172.861 -8.058 0.963 42 HB THR 6 HB THR 6 170.604 -8.063 -0.024 43 HG1 THR 6 HG1 THR 6 170.442 -5.357 0.859 44 HG21 THR 6 HG21 THR 6 170.711 -6.816 2.727 45 HG22 THR 6 HG22 THR 6 170.857 -8.536 2.363 46 HG23 THR 6 HG23 THR 6 169.340 -7.692 2.046 47 H LYS 7 HN LYS 7 172.755 -4.922 -0.576 48 HA LYS 7 HA LYS 7 174.016 -6.060 -2.945 49 HB2 LYS 7 HB2 LYS 7 171.530 -5.978 -3.349 50 HB3 LYS 7 HB1 LYS 7 171.623 -4.230 -3.182 51 HG2 LYS 7 HG2 LYS 7 171.613 -4.821 -5.511 52 HG3 LYS 7 HG1 LYS 7 173.191 -4.160 -5.079 53 HD2 LYS 7 HD2 LYS 7 174.107 -6.415 -4.918 54 HD3 LYS 7 HD1 LYS 7 172.526 -7.094 -5.310 55 HE2 LYS 7 HE2 LYS 7 172.596 -5.971 -7.490 56 HE3 LYS 7 HE1 LYS 7 174.185 -5.318 -7.097 57 HZ1 LYS 7 HZ1 LYS 7 175.038 -7.576 -6.960 58 HZ2 LYS 7 HZ2 LYS 7 174.358 -7.286 -8.481 59 HZ3 LYS 7 HZ3 LYS 7 173.511 -8.202 -7.338 60 H LEU 8 HN LEU 8 175.550 -4.741 -3.792 61 HA LEU 8 HA LEU 8 175.587 -1.931 -2.935 62 HB2 LEU 8 HB2 LEU 8 177.092 -3.504 -1.562 63 HB3 LEU 8 HB1 LEU 8 178.087 -3.597 -3.002 64 HG LEU 8 HG LEU 8 178.986 -1.969 -1.436 65 HD11 LEU 8 HD11 LEU 8 179.161 -1.603 -3.900 66 HD12 LEU 8 HD12 LEU 8 179.279 -0.138 -2.927 67 HD13 LEU 8 HD13 LEU 8 177.781 -0.513 -3.777 68 HD21 LEU 8 HD21 LEU 8 177.761 0.058 -0.870 69 HD22 LEU 8 HD22 LEU 8 176.901 -1.375 -0.309 70 HD23 LEU 8 HD23 LEU 8 176.356 -0.530 -1.758 71 H VAL 9 HN VAL 9 175.448 -0.788 -4.749 72 HA VAL 9 HA VAL 9 176.966 -1.696 -7.107 73 HB VAL 9 HB VAL 9 175.402 -0.348 -8.466 74 HG11 VAL 9 HG11 VAL 9 173.474 -1.843 -8.265 75 HG12 VAL 9 HG12 VAL 9 174.067 -2.394 -6.698 76 HG13 VAL 9 HG13 VAL 9 174.995 -2.729 -8.160 77 HG21 VAL 9 HG21 VAL 9 174.747 1.288 -6.790 78 HG22 VAL 9 HG22 VAL 9 173.933 0.032 -5.857 79 HG23 VAL 9 HG23 VAL 9 173.324 0.480 -7.450 80 H CYS 10 HN CYS 10 177.439 0.269 -8.621 81 HA CYS 10 HA CYS 10 178.153 2.672 -7.138 82 HB2 CYS 10 HB2 CYS 10 180.113 1.217 -6.890 83 HB3 CYS 10 HB1 CYS 10 180.197 1.021 -8.637 84 HG CYS 10 HG CYS 10 180.542 4.056 -7.098 85 H ASP 11 HN ASP 11 177.938 4.467 -8.335 86 HA ASP 11 HA ASP 11 177.370 4.121 -11.195 87 HB2 ASP 11 HB2 ASP 11 176.688 6.413 -9.338 88 HB3 ASP 11 HB1 ASP 11 176.252 6.320 -11.042 89 H GLY 12 HN GLY 12 178.910 4.660 -12.583 90 HA2 GLY 12 HA2 GLY 12 181.173 6.251 -11.713 91 HA3 GLY 12 HA1 GLY 12 181.004 5.434 -13.258 92 H ASP 13 HN ASP 13 178.321 6.681 -13.663 93 HA ASP 13 HA ASP 13 179.111 8.872 -15.207 94 HB2 ASP 13 HB2 ASP 13 176.371 8.244 -14.086 95 HB3 ASP 13 HB1 ASP 13 176.701 9.378 -15.392 96 H THR 14 HN THR 14 178.109 8.656 -11.867 97 HA THR 14 HA THR 14 178.594 11.549 -11.593 98 HB THR 14 HB THR 14 176.930 11.622 -9.782 99 HG1 THR 14 HG1 THR 14 176.375 8.939 -10.578 100 HG21 THR 14 HG21 THR 14 174.919 11.428 -11.177 101 HG22 THR 14 HG22 THR 14 175.843 10.528 -12.379 102 HG23 THR 14 HG23 THR 14 176.235 12.215 -12.047 103 H TYR 15 HN TYR 15 179.874 8.651 -10.929 104 HA TYR 15 HA TYR 15 181.385 7.856 -9.429 105 HB2 TYR 15 HB2 TYR 15 181.607 10.739 -8.547 106 HB3 TYR 15 HB1 TYR 15 182.791 9.465 -8.276 107 HD1 TYR 15 HD1 TYR 15 183.790 8.355 -10.403 108 HD2 TYR 15 HD2 TYR 15 181.801 12.116 -10.408 109 HE1 TYR 15 HE1 TYR 15 184.902 8.933 -12.520 110 HE2 TYR 15 HE2 TYR 15 182.906 12.704 -12.525 111 HH TYR 15 HH TYR 15 184.924 12.079 -13.785 112 H LYS 16 HN LYS 16 178.474 8.336 -8.661 113 HA LYS 16 HA LYS 16 178.749 8.482 -5.747 114 HB2 LYS 16 HB2 LYS 16 176.291 8.550 -7.507 115 HB3 LYS 16 HB1 LYS 16 176.269 8.639 -5.750 116 HG2 LYS 16 HG2 LYS 16 177.558 10.718 -5.843 117 HG3 LYS 16 HG1 LYS 16 177.559 10.630 -7.605 118 HD2 LYS 16 HD2 LYS 16 175.126 10.777 -7.627 119 HD3 LYS 16 HD1 LYS 16 175.102 10.818 -5.862 120 HE2 LYS 16 HE2 LYS 16 176.367 12.912 -5.896 121 HE3 LYS 16 HE1 LYS 16 176.397 12.867 -7.657 122 HZ1 LYS 16 HZ1 LYS 16 174.662 14.332 -6.842 123 HZ2 LYS 16 HZ2 LYS 16 173.957 13.063 -5.975 124 HZ3 LYS 16 HZ3 LYS 16 173.985 13.019 -7.666 125 H CYS 17 HN CYS 17 178.731 6.702 -4.553 126 HA CYS 17 HA CYS 17 178.012 4.165 -5.818 127 HB2 CYS 17 HB2 CYS 17 180.206 4.303 -4.728 128 HB3 CYS 17 HB1 CYS 17 179.431 4.724 -3.204 129 HG CYS 17 HG CYS 17 178.150 2.253 -2.915 130 H THR 18 HN THR 18 176.171 3.149 -5.375 131 HA THR 18 HA THR 18 174.519 4.151 -3.168 132 HB THR 18 HB THR 18 173.709 2.380 -5.483 133 HG1 THR 18 HG1 THR 18 172.966 4.231 -6.434 134 HG21 THR 18 HG21 THR 18 172.270 2.105 -3.532 135 HG22 THR 18 HG22 THR 18 171.417 2.969 -4.810 136 HG23 THR 18 HG23 THR 18 172.058 3.852 -3.425 137 H ALA 19 HN ALA 19 173.429 2.683 -1.765 138 HA ALA 19 HA ALA 19 174.375 -0.080 -1.736 139 HB1 ALA 19 HB1 ALA 19 175.977 1.179 -0.362 140 HB2 ALA 19 HB2 ALA 19 175.050 0.020 0.592 141 HB3 ALA 19 HB3 ALA 19 174.649 1.736 0.656 142 H TYR 20 HN TYR 20 172.865 -1.494 -1.057 143 HA TYR 20 HA TYR 20 170.295 -0.387 -0.191 144 HB2 TYR 20 HB2 TYR 20 171.008 -3.122 -1.270 145 HB3 TYR 20 HB1 TYR 20 169.389 -2.622 -0.797 146 HD1 TYR 20 HD1 TYR 20 172.032 -2.276 -3.306 147 HD2 TYR 20 HD2 TYR 20 168.113 -1.074 -2.168 148 HE1 TYR 20 HE1 TYR 20 171.652 -1.391 -5.569 149 HE2 TYR 20 HE2 TYR 20 167.721 -0.188 -4.428 150 HH TYR 20 HH TYR 20 169.759 -0.874 -7.051 151 H LEU 21 HN LEU 21 169.919 -0.353 1.916 152 HA LEU 21 HA LEU 21 171.397 -1.999 3.751 153 HB2 LEU 21 HB2 LEU 21 169.077 -0.129 4.235 154 HB3 LEU 21 HB1 LEU 21 170.067 -0.862 5.482 155 HG LEU 21 HG LEU 21 170.999 1.134 3.418 156 HD11 LEU 21 HD11 LEU 21 171.299 2.612 5.343 157 HD12 LEU 21 HD12 LEU 21 170.620 1.373 6.399 158 HD13 LEU 21 HD13 LEU 21 169.614 2.124 5.159 159 HD21 LEU 21 HD21 LEU 21 172.750 -0.478 3.944 160 HD22 LEU 21 HD22 LEU 21 172.509 -0.189 5.668 161 HD23 LEU 21 HD23 LEU 21 173.120 1.103 4.634 162 H ASP 22 HN ASP 22 170.487 -3.482 5.258 163 HA ASP 22 HA ASP 22 168.227 -4.966 4.139 164 HB2 ASP 22 HB2 ASP 22 170.343 -6.177 4.589 165 HB3 ASP 22 HB1 ASP 22 170.187 -5.779 6.298 166 H TYR 23 HN TYR 23 168.092 -2.448 5.824 167 HA TYR 23 HA TYR 23 166.838 -3.346 8.275 168 HB2 TYR 23 HB2 TYR 23 168.201 -1.317 8.308 169 HB3 TYR 23 HB1 TYR 23 167.157 -0.576 7.100 170 HD1 TYR 23 HD1 TYR 23 165.088 0.439 7.715 171 HD2 TYR 23 HD2 TYR 23 167.350 -1.710 10.607 172 HE1 TYR 23 HE1 TYR 23 163.668 1.358 9.499 173 HE2 TYR 23 HE2 TYR 23 165.936 -0.799 12.399 174 HH TYR 23 HH TYR 23 164.475 1.141 12.787 175 H GLY 24 HN GLY 24 164.664 -3.119 8.803 176 HA2 GLY 24 HA2 GLY 24 162.401 -3.143 8.421 177 HA3 GLY 24 HA1 GLY 24 162.703 -1.906 7.211 178 H ASP 25 HN ASP 25 161.969 -2.418 5.270 179 HA ASP 25 HA ASP 25 161.734 -5.256 4.555 180 HB2 ASP 25 HB2 ASP 25 160.120 -4.508 2.852 181 HB3 ASP 25 HB1 ASP 25 159.648 -3.979 4.465 182 H GLY 26 HN GLY 26 163.160 -2.217 3.576 183 HA2 GLY 26 HA2 GLY 26 165.370 -2.688 2.399 184 HA3 GLY 26 HA1 GLY 26 164.373 -3.560 1.245 185 H LYS 27 HN LYS 27 164.360 -0.364 2.832 186 HA LYS 27 HA LYS 27 163.923 0.829 0.174 187 HB2 LYS 27 HB2 LYS 27 162.740 1.726 2.808 188 HB3 LYS 27 HB1 LYS 27 162.573 2.583 1.282 189 HG2 LYS 27 HG2 LYS 27 161.549 -0.188 1.863 190 HG3 LYS 27 HG1 LYS 27 160.581 1.287 1.803 191 HD2 LYS 27 HD2 LYS 27 161.185 1.585 -0.551 192 HD3 LYS 27 HD1 LYS 27 162.154 0.111 -0.489 193 HE2 LYS 27 HE2 LYS 27 159.970 -0.308 -1.495 194 HE3 LYS 27 HE1 LYS 27 160.158 -1.193 0.017 195 HZ1 LYS 27 HZ1 LYS 27 158.858 0.512 1.133 196 HZ2 LYS 27 HZ2 LYS 27 157.978 -0.166 -0.143 197 HZ3 LYS 27 HZ3 LYS 27 158.680 1.362 -0.319 198 H TRP 28 HN TRP 28 165.178 1.352 3.447 199 HA TRP 28 HA TRP 28 166.449 3.803 2.979 200 HB2 TRP 28 HB2 TRP 28 167.254 1.605 4.897 201 HB3 TRP 28 HB1 TRP 28 167.798 3.278 4.970 202 HD1 TRP 28 HD1 TRP 28 164.722 1.099 5.633 203 HE1 TRP 28 HE1 TRP 28 163.064 2.436 7.079 204 HE3 TRP 28 HE3 TRP 28 167.062 5.644 5.558 205 HZ2 TRP 28 HZ2 TRP 28 162.786 5.068 8.058 206 HZ3 TRP 28 HZ3 TRP 28 166.034 7.520 6.775 207 HH2 TRP 28 HH2 TRP 28 163.940 7.236 7.998 208 H VAL 29 HN VAL 29 168.036 4.274 1.622 209 HA VAL 29 HA VAL 29 170.112 2.245 1.117 210 HB VAL 29 HB VAL 29 170.287 3.054 -1.207 211 HG11 VAL 29 HG11 VAL 29 168.241 1.994 -2.050 212 HG12 VAL 29 HG12 VAL 29 167.539 2.078 -0.434 213 HG13 VAL 29 HG13 VAL 29 168.959 1.074 -0.729 214 HG21 VAL 29 HG21 VAL 29 167.802 4.633 -0.544 215 HG22 VAL 29 HG22 VAL 29 168.502 4.444 -2.152 216 HG23 VAL 29 HG23 VAL 29 169.397 5.300 -0.896 217 H ALA 30 HN ALA 30 172.189 2.941 1.133 218 HA ALA 30 HA ALA 30 172.639 5.698 1.979 219 HB1 ALA 30 HB1 ALA 30 174.543 3.359 1.914 220 HB2 ALA 30 HB2 ALA 30 173.623 3.901 3.318 221 HB3 ALA 30 HB3 ALA 30 174.865 4.943 2.622 222 H GLN 31 HN GLN 31 174.291 7.005 1.031 223 HA GLN 31 HA GLN 31 175.434 6.221 -1.501 224 HB2 GLN 31 HB2 GLN 31 173.385 8.438 -1.354 225 HB3 GLN 31 HB1 GLN 31 174.445 8.157 -2.727 226 HG2 GLN 31 HG2 GLN 31 173.456 5.921 -3.002 227 HG3 GLN 31 HG1 GLN 31 172.354 6.268 -1.671 228 HE21 GLN 31 HE21 GLN 31 173.188 6.978 -4.968 229 HE22 GLN 31 HE22 GLN 31 171.721 7.794 -5.378 230 H TRP 32 HN TRP 32 177.343 7.194 -1.806 231 HA TRP 32 HA TRP 32 177.884 9.779 -0.578 232 HB2 TRP 32 HB2 TRP 32 179.976 8.961 0.462 233 HB3 TRP 32 HB1 TRP 32 178.543 8.213 1.163 234 HD1 TRP 32 HD1 TRP 32 181.772 7.385 -0.555 235 HE1 TRP 32 HE1 TRP 32 181.982 4.834 -0.827 236 HE3 TRP 32 HE3 TRP 32 177.005 6.037 0.708 237 HZ2 TRP 32 HZ2 TRP 32 180.345 2.553 -0.545 238 HZ3 TRP 32 HZ3 TRP 32 176.408 3.650 0.681 239 HH2 TRP 32 HH2 TRP 32 178.045 1.946 0.067 240 H ASP 33 HN ASP 33 179.524 10.940 -1.572 241 HA ASP 33 HA ASP 33 180.046 10.282 -4.284 242 HB2 ASP 33 HB2 ASP 33 181.286 12.415 -2.531 243 HB3 ASP 33 HB1 ASP 33 181.439 12.324 -4.284 244 H THR 34 HN THR 34 182.048 9.856 -5.297 245 HA THR 34 HA THR 34 184.333 9.156 -3.650 246 HB THR 34 HB THR 34 184.536 6.882 -4.579 247 HG1 THR 34 HG1 THR 34 183.212 6.230 -6.099 248 HG21 THR 34 HG21 THR 34 182.781 5.826 -3.240 249 HG22 THR 34 HG22 THR 34 181.917 7.360 -3.152 250 HG23 THR 34 HG23 THR 34 183.495 7.191 -2.383 251 H ALA 35 HN ALA 35 186.021 8.025 -5.270 252 HA ALA 35 HA ALA 35 186.063 9.690 -7.702 253 HB1 ALA 35 HB1 ALA 35 187.713 10.431 -6.053 254 HB2 ALA 35 HB2 ALA 35 188.490 9.792 -7.502 255 HB3 ALA 35 HB3 ALA 35 188.419 8.815 -6.035 256 H VAL 36 HN VAL 36 186.129 8.617 -9.563 257 HA VAL 36 HA VAL 36 187.174 5.862 -9.567 258 HB VAL 36 HB VAL 36 184.811 6.822 -11.185 259 HG11 VAL 36 HG11 VAL 36 184.520 4.443 -11.709 260 HG12 VAL 36 HG12 VAL 36 185.989 4.071 -10.807 261 HG13 VAL 36 HG13 VAL 36 186.077 5.051 -12.271 262 HG21 VAL 36 HG21 VAL 36 184.246 6.717 -8.812 263 HG22 VAL 36 HG22 VAL 36 184.860 5.065 -8.732 264 HG23 VAL 36 HG23 VAL 36 183.440 5.432 -9.712 265 H PHE 37 HN PHE 37 188.584 5.378 -11.148 266 HA PHE 37 HA PHE 37 188.725 7.018 -13.547 267 HB2 PHE 37 HB2 PHE 37 191.140 7.432 -13.284 268 HB3 PHE 37 HB1 PHE 37 190.205 8.193 -12.001 269 HD1 PHE 37 HD1 PHE 37 190.383 7.450 -9.722 270 HD2 PHE 37 HD2 PHE 37 192.559 5.515 -12.826 271 HE1 PHE 37 HE1 PHE 37 191.777 6.322 -8.037 272 HE2 PHE 37 HE2 PHE 37 193.955 4.382 -11.146 273 HZ PHE 37 HZ PHE 37 193.565 4.786 -8.748 274 H HIS 38 HN HIS 38 189.925 6.051 -15.255 275 HA HIS 38 HA HIS 38 189.835 3.178 -15.192 276 HB2 HIS 38 HB2 HIS 38 189.147 4.433 -17.195 277 HB3 HIS 38 HB1 HIS 38 190.784 5.055 -17.369 278 HD1 HIS 38 HD1 HIS 38 192.508 3.542 -18.464 279 HD2 HIS 38 HD2 HIS 38 188.847 1.676 -17.836 280 HE1 HIS 38 HE1 HIS 38 192.629 1.375 -19.735 281 HE2 HIS 38 HE2 HIS 38 190.404 0.261 -19.341 282 H THR 39 HN THR 39 191.472 1.783 -14.939 283 HA THR 39 HA THR 39 194.108 2.874 -14.331 284 HB THR 39 HB THR 39 194.640 0.618 -13.497 285 HG1 THR 39 HG1 THR 39 193.479 -0.900 -14.435 286 HG21 THR 39 HG21 THR 39 193.615 2.233 -11.973 287 HG22 THR 39 HG22 THR 39 193.080 0.594 -11.602 288 HG23 THR 39 HG23 THR 39 192.011 1.696 -12.470 289 H THR 40 HN THR 40 196.011 1.467 -15.050 290 HA THR 40 HA THR 40 195.653 0.275 -17.687 291 HB THR 40 HB THR 40 197.473 1.604 -18.682 292 HG1 THR 40 HG1 THR 40 198.006 3.599 -17.488 293 HG21 THR 40 HG21 THR 40 196.225 3.697 -18.975 294 HG22 THR 40 HG22 THR 40 195.206 3.281 -17.596 295 HG23 THR 40 HG23 THR 40 195.158 2.295 -19.058 296 H1 ALA 1 HT1 ALA 1 198.709 -3.943 3.397 297 H2 ALA 1 HT2 ALA 1 198.508 -2.378 2.785 298 H3 ALA 1 HT3 ALA 1 199.974 -3.190 2.561 299 HA ALA 1 HA ALA 1 198.681 -3.183 0.533 300 HB1 ALA 1 HB1 ALA 1 200.183 -5.058 1.004 301 HB2 ALA 1 HB2 ALA 1 198.771 -5.574 0.080 302 HB3 ALA 1 HB3 ALA 1 198.864 -5.910 1.809 303 HA PRO 2 HA PRO 2 194.282 -3.265 0.580 304 HB2 PRO 2 HB2 PRO 2 194.470 -5.126 -1.738 305 HB3 PRO 2 HB1 PRO 2 193.603 -3.589 -1.594 306 HG2 PRO 2 HG2 PRO 2 195.856 -3.731 -2.988 307 HG3 PRO 2 HG1 PRO 2 195.486 -2.314 -1.984 308 HD2 PRO 2 HD2 PRO 2 197.391 -4.546 -1.469 309 HD3 PRO 2 HD1 PRO 2 197.522 -2.825 -1.054 310 H VAL 3 HN VAL 3 192.723 -4.465 1.535 311 HA VAL 3 HA VAL 3 193.112 -7.373 1.713 312 HB VAL 3 HB VAL 3 192.378 -7.335 4.065 313 HG11 VAL 3 HG11 VAL 3 194.756 -7.399 3.558 314 HG12 VAL 3 HG12 VAL 3 194.459 -6.463 5.023 315 HG13 VAL 3 HG13 VAL 3 194.806 -5.636 3.504 316 HG21 VAL 3 HG21 VAL 3 191.118 -5.252 4.041 317 HG22 VAL 3 HG22 VAL 3 192.607 -4.338 3.794 318 HG23 VAL 3 HG23 VAL 3 192.350 -5.216 5.303 319 HA PRO 4 HA PRO 4 188.831 -7.439 0.560 320 HB2 PRO 4 HB2 PRO 4 188.232 -9.997 1.180 321 HB3 PRO 4 HB1 PRO 4 189.271 -9.579 -0.191 322 HG2 PRO 4 HG2 PRO 4 190.047 -10.524 2.531 323 HG3 PRO 4 HG1 PRO 4 190.704 -10.988 0.949 324 HD2 PRO 4 HD2 PRO 4 191.925 -9.199 2.593 325 HD3 PRO 4 HD1 PRO 4 192.069 -9.155 0.824 326 H VAL 5 HN VAL 5 186.874 -7.072 1.487 327 HA VAL 5 HA VAL 5 186.778 -6.848 4.367 328 HB VAL 5 HB VAL 5 184.605 -6.272 2.349 329 HG11 VAL 5 HG11 VAL 5 184.920 -5.420 5.226 330 HG12 VAL 5 HG12 VAL 5 183.747 -6.581 4.604 331 HG13 VAL 5 HG13 VAL 5 183.645 -4.885 4.130 332 HG21 VAL 5 HG21 VAL 5 186.588 -4.928 1.907 333 HG22 VAL 5 HG22 VAL 5 186.625 -4.409 3.593 334 HG23 VAL 5 HG23 VAL 5 185.284 -3.929 2.551 335 H THR 6 HN THR 6 186.005 -8.336 5.709 336 HA THR 6 HA THR 6 184.723 -10.710 4.644 337 HB THR 6 HB THR 6 184.875 -11.585 6.941 338 HG1 THR 6 HG1 THR 6 186.136 -9.108 7.574 339 HG21 THR 6 HG21 THR 6 187.435 -10.305 5.972 340 HG22 THR 6 HG22 THR 6 186.788 -11.857 5.441 341 HG23 THR 6 HG23 THR 6 187.322 -11.648 7.109 342 H LYS 7 HN LYS 7 183.897 -7.887 6.529 343 HA LYS 7 HA LYS 7 181.072 -8.546 6.247 344 HB2 LYS 7 HB2 LYS 7 181.852 -9.407 8.482 345 HB3 LYS 7 HB1 LYS 7 182.222 -7.745 8.923 346 HG2 LYS 7 HG2 LYS 7 180.089 -8.368 9.837 347 HG3 LYS 7 HG1 LYS 7 179.857 -7.154 8.577 348 HD2 LYS 7 HD2 LYS 7 179.241 -8.901 6.991 349 HD3 LYS 7 HD1 LYS 7 179.508 -10.131 8.228 350 HE2 LYS 7 HE2 LYS 7 177.732 -9.129 9.591 351 HE3 LYS 7 HE1 LYS 7 177.458 -7.921 8.337 352 HZ1 LYS 7 HZ1 LYS 7 176.850 -9.694 6.812 353 HZ2 LYS 7 HZ2 LYS 7 175.863 -9.724 8.185 354 HZ3 LYS 7 HZ3 LYS 7 177.111 -10.854 8.017 355 H LEU 8 HN LEU 8 179.835 -6.778 5.854 356 HA LEU 8 HA LEU 8 180.999 -4.131 6.373 357 HB2 LEU 8 HB2 LEU 8 181.286 -4.989 3.964 358 HB3 LEU 8 HB1 LEU 8 179.557 -4.749 3.811 359 HG LEU 8 HG LEU 8 180.776 -2.858 2.890 360 HD11 LEU 8 HD11 LEU 8 178.587 -2.528 4.045 361 HD12 LEU 8 HD12 LEU 8 179.612 -1.095 3.984 362 HD13 LEU 8 HD13 LEU 8 179.484 -2.024 5.478 363 HD21 LEU 8 HD21 LEU 8 182.135 -1.414 4.305 364 HD22 LEU 8 HD22 LEU 8 182.799 -3.047 4.248 365 HD23 LEU 8 HD23 LEU 8 181.899 -2.510 5.666 366 H VAL 9 HN VAL 9 179.641 -3.177 7.737 367 HA VAL 9 HA VAL 9 176.745 -3.526 7.320 368 HB VAL 9 HB VAL 9 176.461 -2.898 9.693 369 HG11 VAL 9 HG11 VAL 9 177.282 -4.996 10.652 370 HG12 VAL 9 HG12 VAL 9 178.308 -5.239 9.238 371 HG13 VAL 9 HG13 VAL 9 176.552 -5.249 9.067 372 HG21 VAL 9 HG21 VAL 9 178.479 -1.574 9.984 373 HG22 VAL 9 HG22 VAL 9 179.476 -3.013 9.772 374 HG23 VAL 9 HG23 VAL 9 178.419 -2.871 11.177 375 H CYS 10 HN CYS 10 175.499 -1.575 8.326 376 HA CYS 10 HA CYS 10 176.846 0.967 7.859 377 HB2 CYS 10 HB2 CYS 10 175.957 0.352 5.655 378 HB3 CYS 10 HB1 CYS 10 174.353 0.149 6.352 379 HG CYS 10 HG CYS 10 176.012 3.139 6.373 380 H ASP 11 HN ASP 11 176.164 2.518 9.213 381 HA ASP 11 HA ASP 11 173.855 1.898 10.917 382 HB2 ASP 11 HB2 ASP 11 176.143 3.826 11.366 383 HB3 ASP 11 HB1 ASP 11 174.828 3.526 12.499 384 H GLY 12 HN GLY 12 172.020 2.928 10.511 385 HA2 GLY 12 HA2 GLY 12 172.005 5.272 8.804 386 HA3 GLY 12 HA1 GLY 12 170.599 4.404 9.398 387 H ASP 13 HN ASP 13 171.645 4.551 12.190 388 HA ASP 13 HA ASP 13 170.265 6.831 13.031 389 HB2 ASP 13 HB2 ASP 13 172.393 5.264 14.507 390 HB3 ASP 13 HB1 ASP 13 171.267 6.400 15.245 391 H THR 14 HN THR 14 173.619 6.359 12.181 392 HA THR 14 HA THR 14 174.082 9.233 12.642 393 HB THR 14 HB THR 14 176.437 8.736 13.154 394 HG1 THR 14 HG1 THR 14 175.580 6.016 13.073 395 HG21 THR 14 HG21 THR 14 176.091 7.766 15.383 396 HG22 THR 14 HG22 THR 14 174.479 7.239 14.899 397 HG23 THR 14 HG23 THR 14 174.850 8.960 14.998 398 H TYR 15 HN TYR 15 173.647 7.040 10.301 399 HA TYR 15 HA TYR 15 174.161 6.908 8.092 400 HB2 TYR 15 HB2 TYR 15 175.276 9.694 8.473 401 HB3 TYR 15 HB1 TYR 15 174.785 8.959 6.950 402 HD1 TYR 15 HD1 TYR 15 172.295 8.236 6.774 403 HD2 TYR 15 HD2 TYR 15 173.761 10.986 9.670 404 HE1 TYR 15 HE1 TYR 15 170.020 9.122 7.076 405 HE2 TYR 15 HE2 TYR 15 171.491 11.878 9.982 406 HH TYR 15 HH TYR 15 169.377 12.010 8.732 407 H LYS 16 HN LYS 16 176.226 6.296 10.250 408 HA LYS 16 HA LYS 16 178.684 6.622 8.691 409 HB2 LYS 16 HB2 LYS 16 178.258 5.718 11.544 410 HB3 LYS 16 HB1 LYS 16 179.825 5.846 10.758 411 HG2 LYS 16 HG2 LYS 16 179.479 8.250 10.464 412 HG3 LYS 16 HG1 LYS 16 177.916 8.116 11.272 413 HD2 LYS 16 HD2 LYS 16 179.019 7.347 13.305 414 HD3 LYS 16 HD1 LYS 16 180.586 7.430 12.499 415 HE2 LYS 16 HE2 LYS 16 180.304 9.841 12.201 416 HE3 LYS 16 HE1 LYS 16 178.735 9.758 13.000 417 HZ1 LYS 16 HZ1 LYS 16 180.458 10.498 14.518 418 HZ2 LYS 16 HZ2 LYS 16 181.346 9.084 14.246 419 HZ3 LYS 16 HZ3 LYS 16 179.841 9.002 15.012 420 H CYS 17 HN CYS 17 179.470 5.000 7.532 421 HA CYS 17 HA CYS 17 178.298 2.339 7.852 422 HB2 CYS 17 HB2 CYS 17 178.286 3.315 5.601 423 HB3 CYS 17 HB1 CYS 17 180.040 3.465 5.650 424 HG CYS 17 HG CYS 17 180.496 0.705 5.709 425 H THR 18 HN THR 18 179.363 0.726 8.788 426 HA THR 18 HA THR 18 182.202 1.107 9.420 427 HB THR 18 HB THR 18 180.264 -0.906 10.575 428 HG1 THR 18 HG1 THR 18 180.046 0.507 12.262 429 HG21 THR 18 HG21 THR 18 182.587 -1.636 10.720 430 HG22 THR 18 HG22 THR 18 181.980 -1.192 12.315 431 HG23 THR 18 HG23 THR 18 183.042 -0.091 11.436 432 H ALA 19 HN ALA 19 183.705 -0.616 9.137 433 HA ALA 19 HA ALA 19 182.882 -2.828 7.416 434 HB1 ALA 19 HB1 ALA 19 183.558 -1.023 5.891 435 HB2 ALA 19 HB2 ALA 19 184.638 -2.414 5.795 436 HB3 ALA 19 HB3 ALA 19 185.137 -0.968 6.674 437 H TYR 20 HN TYR 20 183.947 -4.680 7.836 438 HA TYR 20 HA TYR 20 186.037 -4.583 9.886 439 HB2 TYR 20 HB2 TYR 20 184.350 -6.887 8.889 440 HB3 TYR 20 HB1 TYR 20 185.574 -7.011 10.148 441 HD1 TYR 20 HD1 TYR 20 182.226 -5.782 9.315 442 HD2 TYR 20 HD2 TYR 20 185.181 -6.089 12.361 443 HE1 TYR 20 HE1 TYR 20 180.543 -5.172 11.000 444 HE2 TYR 20 HE2 TYR 20 183.506 -5.481 14.055 445 HH TYR 20 HH TYR 20 180.174 -5.442 13.416 446 H LEU 21 HN LEU 21 188.064 -4.626 9.199 447 HA LEU 21 HA LEU 21 188.758 -5.548 6.568 448 HB2 LEU 21 HB2 LEU 21 190.518 -4.662 8.855 449 HB3 LEU 21 HB1 LEU 21 191.055 -4.936 7.209 450 HG LEU 21 HG LEU 21 189.123 -2.799 8.115 451 HD11 LEU 21 HD11 LEU 21 190.905 -1.259 7.458 452 HD12 LEU 21 HD12 LEU 21 191.953 -2.628 7.087 453 HD13 LEU 21 HD13 LEU 21 191.430 -2.343 8.747 454 HD21 LEU 21 HD21 LEU 21 188.550 -3.629 5.895 455 HD22 LEU 21 HD22 LEU 21 190.217 -3.398 5.368 456 HD23 LEU 21 HD23 LEU 21 189.229 -2.004 5.806 457 H ASP 22 HN ASP 22 190.269 -7.217 6.083 458 HA ASP 22 HA ASP 22 190.081 -9.468 7.943 459 HB2 ASP 22 HB2 ASP 22 189.336 -9.792 5.600 460 HB3 ASP 22 HB1 ASP 22 190.969 -9.429 5.050 461 H TYR 23 HN TYR 23 192.006 -7.131 8.109 462 HA TYR 23 HA TYR 23 194.589 -8.356 7.653 463 HB2 TYR 23 HB2 TYR 23 194.312 -5.966 7.223 464 HB3 TYR 23 HB1 TYR 23 193.835 -5.702 8.897 465 HD1 TYR 23 HD1 TYR 23 195.465 -5.513 10.630 466 HD2 TYR 23 HD2 TYR 23 196.657 -6.577 6.686 467 HE1 TYR 23 HE1 TYR 23 197.815 -5.134 11.244 468 HE2 TYR 23 HE2 TYR 23 199.011 -6.202 7.291 469 HH TYR 23 HH TYR 23 200.306 -4.934 8.951 470 H GLY 24 HN GLY 24 196.071 -8.939 9.243 471 HA2 GLY 24 HA2 GLY 24 196.753 -9.813 11.252 472 HA3 GLY 24 HA1 GLY 24 195.742 -8.588 12.004 473 H ASP 25 HN ASP 25 194.291 -9.396 13.349 474 HA ASP 25 HA ASP 25 193.334 -12.139 12.913 475 HB2 ASP 25 HB2 ASP 25 192.681 -12.095 15.287 476 HB3 ASP 25 HB1 ASP 25 194.392 -11.732 15.082 477 H GLY 26 HN GLY 26 192.292 -8.818 13.257 478 HA2 GLY 26 HA2 GLY 26 190.188 -8.469 11.864 479 HA3 GLY 26 HA1 GLY 26 189.491 -9.684 12.924 480 H LYS 27 HN LYS 27 191.379 -6.675 13.268 481 HA LYS 27 HA LYS 27 189.421 -5.811 15.294 482 HB2 LYS 27 HB2 LYS 27 192.408 -5.339 15.304 483 HB3 LYS 27 HB1 LYS 27 191.273 -4.651 16.458 484 HG2 LYS 27 HG2 LYS 27 191.825 -7.586 16.071 485 HG3 LYS 27 HG1 LYS 27 192.432 -6.578 17.386 486 HD2 LYS 27 HD2 LYS 27 190.136 -6.150 18.116 487 HD3 LYS 27 HD1 LYS 27 189.529 -7.155 16.799 488 HE2 LYS 27 HE2 LYS 27 189.567 -8.385 18.908 489 HE3 LYS 27 HE1 LYS 27 190.677 -9.091 17.734 490 HZ1 LYS 27 HZ1 LYS 27 192.505 -7.960 18.837 491 HZ2 LYS 27 HZ2 LYS 27 191.677 -8.955 19.926 492 HZ3 LYS 27 HZ3 LYS 27 191.439 -7.280 19.962 493 H TRP 28 HN TRP 28 191.811 -4.760 12.897 494 HA TRP 28 HA TRP 28 191.199 -2.029 12.923 495 HB2 TRP 28 HB2 TRP 28 192.187 -3.711 10.609 496 HB3 TRP 28 HB1 TRP 28 192.259 -1.955 10.702 497 HD1 TRP 28 HD1 TRP 28 193.900 -5.099 12.140 498 HE1 TRP 28 HE1 TRP 28 196.123 -4.430 13.251 499 HE3 TRP 28 HE3 TRP 28 193.470 -0.014 11.824 500 HZ2 TRP 28 HZ2 TRP 28 197.511 -2.062 13.907 501 HZ3 TRP 28 HZ3 TRP 28 195.289 1.380 12.718 502 HH2 TRP 28 HH2 TRP 28 197.267 0.377 13.738 503 H VAL 29 HN VAL 29 189.360 -1.042 12.440 504 HA VAL 29 HA VAL 29 187.669 -2.168 10.308 505 HB VAL 29 HB VAL 29 185.671 -1.423 11.547 506 HG11 VAL 29 HG11 VAL 29 185.693 -3.193 13.246 507 HG12 VAL 29 HG12 VAL 29 187.442 -3.327 13.075 508 HG13 VAL 29 HG13 VAL 29 186.390 -3.739 11.721 509 HG21 VAL 29 HG21 VAL 29 187.617 -0.862 13.783 510 HG22 VAL 29 HG22 VAL 29 185.860 -0.825 13.918 511 HG23 VAL 29 HG23 VAL 29 186.689 0.339 12.885 512 H ALA 30 HN ALA 30 186.853 -0.751 8.851 513 HA ALA 30 HA ALA 30 187.813 2.001 9.022 514 HB1 ALA 30 HB1 ALA 30 186.539 0.537 6.714 515 HB2 ALA 30 HB2 ALA 30 188.272 0.740 6.976 516 HB3 ALA 30 HB3 ALA 30 187.258 2.146 6.654 517 H GLN 31 HN GLN 31 186.433 3.798 8.579 518 HA GLN 31 HA GLN 31 183.572 3.418 8.590 519 HB2 GLN 31 HB2 GLN 31 184.964 4.718 10.936 520 HB3 GLN 31 HB1 GLN 31 183.235 4.812 10.634 521 HG2 GLN 31 HG2 GLN 31 183.098 2.360 10.805 522 HG3 GLN 31 HG1 GLN 31 184.819 2.313 11.184 523 HE21 GLN 31 HE21 GLN 31 181.652 3.181 12.318 524 HE22 GLN 31 HE22 GLN 31 182.078 3.380 13.980 525 H TRP 32 HN TRP 32 182.588 5.022 7.517 526 HA TRP 32 HA TRP 32 183.817 7.659 7.375 527 HB2 TRP 32 HB2 TRP 32 183.662 7.709 4.906 528 HB3 TRP 32 HB1 TRP 32 184.811 6.505 5.478 529 HD1 TRP 32 HD1 TRP 32 181.716 6.885 3.396 530 HE1 TRP 32 HE1 TRP 32 180.993 4.588 2.485 531 HE3 TRP 32 HE3 TRP 32 184.775 3.901 6.202 532 HZ2 TRP 32 HZ2 TRP 32 181.633 1.871 2.904 533 HZ3 TRP 32 HZ3 TRP 32 184.657 1.463 5.886 534 HH2 TRP 32 HH2 TRP 32 183.118 0.471 4.271 535 H ASP 33 HN ASP 33 182.380 9.316 6.912 536 HA ASP 33 HA ASP 33 179.659 8.817 7.557 537 HB2 ASP 33 HB2 ASP 33 180.964 11.311 6.443 538 HB3 ASP 33 HB1 ASP 33 179.341 11.230 7.122 539 H THR 34 HN THR 34 177.799 9.135 6.268 540 HA THR 34 HA THR 34 178.108 9.385 3.393 541 HB THR 34 HB THR 34 176.852 7.322 2.898 542 HG1 THR 34 HG1 THR 34 176.018 6.178 4.471 543 HG21 THR 34 HG21 THR 34 178.661 5.731 3.323 544 HG22 THR 34 HG22 THR 34 179.364 6.837 4.504 545 HG23 THR 34 HG23 THR 34 179.299 7.290 2.801 546 H ALA 35 HN ALA 35 175.749 8.914 2.410 547 HA ALA 35 HA ALA 35 173.845 10.401 4.101 548 HB1 ALA 35 HB1 ALA 35 174.662 11.752 2.230 549 HB2 ALA 35 HB2 ALA 35 172.941 11.404 2.072 550 HB3 ALA 35 HB3 ALA 35 174.113 10.516 1.098 551 H VAL 36 HN VAL 36 172.016 9.374 4.567 552 HA VAL 36 HA VAL 36 171.122 7.206 2.783 553 HB VAL 36 HB VAL 36 170.913 7.168 5.796 554 HG11 VAL 36 HG11 VAL 36 170.221 4.838 5.472 555 HG12 VAL 36 HG12 VAL 36 170.293 5.065 3.725 556 HG13 VAL 36 HG13 VAL 36 169.117 5.964 4.683 557 HG21 VAL 36 HG21 VAL 36 173.238 6.934 5.089 558 HG22 VAL 36 HG22 VAL 36 172.780 5.632 3.992 559 HG23 VAL 36 HG23 VAL 36 172.616 5.415 5.734 560 H PHE 37 HN PHE 37 169.021 7.233 2.227 561 HA PHE 37 HA PHE 37 167.098 8.734 3.813 562 HB2 PHE 37 HB2 PHE 37 166.302 10.024 1.870 563 HB3 PHE 37 HB1 PHE 37 167.967 10.422 2.278 564 HD1 PHE 37 HD1 PHE 37 169.778 9.867 0.795 565 HD2 PHE 37 HD2 PHE 37 165.771 8.787 -0.151 566 HE1 PHE 37 HE1 PHE 37 170.458 9.390 -1.520 567 HE2 PHE 37 HE2 PHE 37 166.445 8.306 -2.469 568 HZ PHE 37 HZ PHE 37 168.791 8.609 -3.156 569 H HIS 38 HN HIS 38 164.908 8.231 3.323 570 HA HIS 38 HA HIS 38 164.566 5.535 2.388 571 HB2 HIS 38 HB2 HIS 38 163.307 6.382 4.325 572 HB3 HIS 38 HB1 HIS 38 162.509 7.563 3.292 573 HD1 HIS 38 HD1 HIS 38 160.538 6.766 1.901 574 HD2 HIS 38 HD2 HIS 38 162.460 3.694 3.935 575 HE1 HIS 38 HE1 HIS 38 159.036 4.762 1.668 576 HE2 HIS 38 HE2 HIS 38 160.218 2.914 2.907 577 H THR 39 HN THR 39 163.836 4.857 0.464 578 HA THR 39 HA THR 39 163.346 6.867 -1.591 579 HB THR 39 HB THR 39 163.497 4.997 -3.187 580 HG1 THR 39 HG1 THR 39 162.965 3.128 -2.316 581 HG21 THR 39 HG21 THR 39 165.545 6.160 -2.531 582 HG22 THR 39 HG22 THR 39 165.863 4.452 -2.831 583 HG23 THR 39 HG23 THR 39 165.751 5.049 -1.176 584 H THR 40 HN THR 40 161.640 6.248 -3.271 585 HA THR 40 HA THR 40 159.303 4.928 -2.133 586 HB THR 40 HB THR 40 157.809 6.808 -2.683 587 HG1 THR 40 HG1 THR 40 158.922 8.893 -3.003 588 HG21 THR 40 HG21 THR 40 158.433 8.277 -0.819 589 HG22 THR 40 HG22 THR 40 160.041 7.555 -0.790 590 HG23 THR 40 HG23 THR 40 158.629 6.577 -0.392 591 H1 ALA 1 HT1 ALA 1 175.801 2.784 -16.073 592 H2 ALA 1 HT2 ALA 1 175.594 4.141 -15.086 593 H3 ALA 1 HT3 ALA 1 174.610 3.926 -16.444 594 HA ALA 1 HA ALA 1 173.414 3.389 -14.428 595 HB1 ALA 1 HB1 ALA 1 172.864 2.222 -16.509 596 HB2 ALA 1 HB2 ALA 1 172.612 1.191 -15.099 597 HB3 ALA 1 HB3 ALA 1 174.038 0.966 -16.112 598 HA PRO 2 HA PRO 2 175.433 1.681 -10.911 599 HB2 PRO 2 HB2 PRO 2 173.027 -0.047 -10.594 600 HB3 PRO 2 HB1 PRO 2 173.779 1.061 -9.437 601 HG2 PRO 2 HG2 PRO 2 171.514 1.724 -10.647 602 HG3 PRO 2 HG1 PRO 2 172.779 2.931 -10.343 603 HD2 PRO 2 HD2 PRO 2 172.031 1.585 -12.893 604 HD3 PRO 2 HD1 PRO 2 172.598 3.244 -12.610 605 H VAL 3 HN VAL 3 176.795 0.018 -10.511 606 HA VAL 3 HA VAL 3 176.332 -2.531 -11.901 607 HB VAL 3 HB VAL 3 178.737 -2.696 -12.413 608 HG11 VAL 3 HG11 VAL 3 177.205 -1.886 -14.122 609 HG12 VAL 3 HG12 VAL 3 178.770 -1.084 -14.261 610 HG13 VAL 3 HG13 VAL 3 177.404 -0.235 -13.537 611 HG21 VAL 3 HG21 VAL 3 179.602 -1.233 -10.672 612 HG22 VAL 3 HG22 VAL 3 178.852 0.161 -11.449 613 HG23 VAL 3 HG23 VAL 3 180.160 -0.703 -12.259 614 HA PRO 4 HA PRO 4 177.244 -4.219 -7.904 615 HB2 PRO 4 HB2 PRO 4 177.671 -6.794 -8.584 616 HB3 PRO 4 HB1 PRO 4 176.060 -6.063 -8.631 617 HG2 PRO 4 HG2 PRO 4 177.957 -6.569 -10.878 618 HG3 PRO 4 HG1 PRO 4 176.199 -6.804 -10.816 619 HD2 PRO 4 HD2 PRO 4 177.365 -4.639 -11.979 620 HD3 PRO 4 HD1 PRO 4 175.752 -4.600 -11.239 621 H VAL 5 HN VAL 5 179.001 -4.577 -6.633 622 HA VAL 5 HA VAL 5 181.609 -4.317 -7.852 623 HB VAL 5 HB VAL 5 180.906 -4.652 -4.931 624 HG11 VAL 5 HG11 VAL 5 183.421 -3.656 -6.268 625 HG12 VAL 5 HG12 VAL 5 183.228 -5.188 -5.415 626 HG13 VAL 5 HG13 VAL 5 183.117 -3.667 -4.530 627 HG21 VAL 5 HG21 VAL 5 179.826 -2.681 -5.872 628 HG22 VAL 5 HG22 VAL 5 181.369 -2.134 -6.527 629 HG23 VAL 5 HG23 VAL 5 181.134 -2.220 -4.781 630 H THR 6 HN THR 6 182.912 -5.944 -8.369 631 HA THR 6 HA THR 6 182.194 -8.656 -7.632 632 HB THR 6 HB THR 6 184.011 -9.340 -9.148 633 HG1 THR 6 HG1 THR 6 184.374 -6.554 -9.628 634 HG21 THR 6 HG21 THR 6 182.196 -7.231 -10.324 635 HG22 THR 6 HG22 THR 6 181.786 -8.929 -10.076 636 HG23 THR 6 HG23 THR 6 183.041 -8.485 -11.231 637 H LYS 7 HN LYS 7 184.655 -6.286 -6.899 638 HA LYS 7 HA LYS 7 185.584 -7.956 -4.698 639 HB2 LYS 7 HB2 LYS 7 187.065 -8.396 -6.688 640 HB3 LYS 7 HB1 LYS 7 187.537 -6.703 -6.633 641 HG2 LYS 7 HG2 LYS 7 189.210 -8.047 -5.552 642 HG3 LYS 7 HG1 LYS 7 188.393 -7.045 -4.350 643 HD2 LYS 7 HD2 LYS 7 187.011 -8.943 -3.689 644 HD3 LYS 7 HD1 LYS 7 187.790 -9.947 -4.914 645 HE2 LYS 7 HE2 LYS 7 189.944 -9.637 -3.782 646 HE3 LYS 7 HE1 LYS 7 189.151 -8.655 -2.552 647 HZ1 LYS 7 HZ1 LYS 7 187.815 -10.573 -1.935 648 HZ2 LYS 7 HZ2 LYS 7 189.464 -10.927 -1.801 649 HZ3 LYS 7 HZ3 LYS 7 188.579 -11.515 -3.117 650 H LEU 8 HN LEU 8 186.068 -6.787 -2.907 651 HA LEU 8 HA LEU 8 186.400 -3.883 -3.196 652 HB2 LEU 8 HB2 LEU 8 184.022 -4.646 -2.574 653 HB3 LEU 8 HB1 LEU 8 184.706 -5.070 -1.017 654 HG LEU 8 HG LEU 8 183.634 -2.891 -0.923 655 HD11 LEU 8 HD11 LEU 8 185.689 -3.362 0.414 656 HD12 LEU 8 HD12 LEU 8 185.391 -1.654 0.100 657 HD13 LEU 8 HD13 LEU 8 186.618 -2.519 -0.825 658 HD21 LEU 8 HD21 LEU 8 184.481 -1.002 -2.207 659 HD22 LEU 8 HD22 LEU 8 183.883 -2.273 -3.275 660 HD23 LEU 8 HD23 LEU 8 185.618 -2.065 -3.037 661 H VAL 9 HN VAL 9 188.358 -3.460 -2.421 662 HA VAL 9 HA VAL 9 189.248 -4.874 0.008 663 HB VAL 9 HB VAL 9 191.557 -4.323 -0.679 664 HG11 VAL 9 HG11 VAL 9 191.709 -5.936 -2.515 665 HG12 VAL 9 HG12 VAL 9 189.966 -5.823 -2.755 666 HG13 VAL 9 HG13 VAL 9 190.607 -6.490 -1.255 667 HG21 VAL 9 HG21 VAL 9 191.102 -2.335 -2.003 668 HG22 VAL 9 HG22 VAL 9 190.247 -3.307 -3.200 669 HG23 VAL 9 HG23 VAL 9 191.980 -3.525 -2.963 670 H CYS 10 HN CYS 10 190.992 -3.494 1.203 671 HA CYS 10 HA CYS 10 190.359 -0.650 1.199 672 HB2 CYS 10 HB2 CYS 10 188.732 -1.619 2.759 673 HB3 CYS 10 HB1 CYS 10 190.037 -2.382 3.659 674 HG CYS 10 HG CYS 10 189.762 1.010 3.323 675 H ASP 11 HN ASP 11 192.093 0.575 1.634 676 HA ASP 11 HA ASP 11 194.542 -0.806 2.483 677 HB2 ASP 11 HB2 ASP 11 194.195 1.849 1.071 678 HB3 ASP 11 HB1 ASP 11 195.739 1.117 1.495 679 H GLY 12 HN GLY 12 195.172 -0.544 4.515 680 HA2 GLY 12 HA2 GLY 12 194.034 1.573 6.139 681 HA3 GLY 12 HA1 GLY 12 195.062 0.263 6.700 682 H ASP 13 HN ASP 13 197.065 0.874 4.572 683 HA ASP 13 HA ASP 13 198.774 2.501 6.067 684 HB2 ASP 13 HB2 ASP 13 198.870 1.884 3.106 685 HB3 ASP 13 HB1 ASP 13 200.201 2.542 4.053 686 H THR 14 HN THR 14 196.438 3.285 3.591 687 HA THR 14 HA THR 14 197.072 6.138 3.975 688 HB THR 14 HB THR 14 196.380 6.569 1.653 689 HG1 THR 14 HG1 THR 14 196.283 3.723 1.462 690 HG21 THR 14 HG21 THR 14 198.348 5.608 0.543 691 HG22 THR 14 HG22 THR 14 198.572 4.504 1.900 692 HG23 THR 14 HG23 THR 14 198.753 6.242 2.137 693 H TYR 15 HN TYR 15 194.878 3.869 4.697 694 HA TYR 15 HA TYR 15 192.683 3.871 5.287 695 HB2 TYR 15 HB2 TYR 15 192.937 6.882 5.150 696 HB3 TYR 15 HB1 TYR 15 191.710 5.971 6.023 697 HD1 TYR 15 HD1 TYR 15 192.571 4.369 7.880 698 HD2 TYR 15 HD2 TYR 15 194.872 7.554 6.248 699 HE1 TYR 15 HE1 TYR 15 194.001 4.355 9.881 700 HE2 TYR 15 HE2 TYR 15 196.309 7.547 8.244 701 HH TYR 15 HH TYR 15 196.186 6.846 10.599 702 H LYS 16 HN LYS 16 193.553 4.136 2.377 703 HA LYS 16 HA LYS 16 191.119 5.305 1.237 704 HB2 LYS 16 HB2 LYS 16 193.683 4.395 -0.084 705 HB3 LYS 16 HB1 LYS 16 192.302 5.072 -0.937 706 HG2 LYS 16 HG2 LYS 16 192.567 7.165 0.302 707 HG3 LYS 16 HG1 LYS 16 193.963 6.484 1.140 708 HD2 LYS 16 HD2 LYS 16 195.134 6.243 -0.985 709 HD3 LYS 16 HD1 LYS 16 193.729 6.878 -1.843 710 HE2 LYS 16 HE2 LYS 16 193.962 9.001 -0.653 711 HE3 LYS 16 HE1 LYS 16 195.361 8.367 0.212 712 HZ1 LYS 16 HZ1 LYS 16 196.029 9.739 -1.657 713 HZ2 LYS 16 HZ2 LYS 16 195.173 8.748 -2.729 714 HZ3 LYS 16 HZ3 LYS 16 196.515 8.136 -1.901 715 H CYS 17 HN CYS 17 189.499 4.056 0.600 716 HA CYS 17 HA CYS 17 189.906 1.163 0.493 717 HB2 CYS 17 HB2 CYS 17 188.082 1.995 1.906 718 HB3 CYS 17 HB1 CYS 17 187.354 2.787 0.513 719 HG CYS 17 HG CYS 17 186.779 0.397 -0.825 720 H THR 18 HN THR 18 190.002 0.090 -1.367 721 HA THR 18 HA THR 18 189.330 1.518 -3.840 722 HB THR 18 HB THR 18 190.916 -1.035 -3.503 723 HG1 THR 18 HG1 THR 18 192.711 0.246 -3.649 724 HG21 THR 18 HG21 THR 18 189.881 -0.846 -5.705 725 HG22 THR 18 HG22 THR 18 191.624 -0.609 -5.821 726 HG23 THR 18 HG23 THR 18 190.539 0.780 -5.889 727 H ALA 19 HN ALA 19 188.140 0.469 -5.510 728 HA ALA 19 HA ALA 19 186.663 -1.942 -4.776 729 HB1 ALA 19 HB1 ALA 19 185.291 -0.063 -3.983 730 HB2 ALA 19 HB2 ALA 19 184.507 -0.954 -5.287 731 HB3 ALA 19 HB3 ALA 19 185.272 0.599 -5.618 732 H TYR 20 HN TYR 20 186.268 -3.251 -6.470 733 HA TYR 20 HA TYR 20 187.139 -2.322 -9.108 734 HB2 TYR 20 HB2 TYR 20 186.675 -5.117 -8.050 735 HB3 TYR 20 HB1 TYR 20 187.210 -4.739 -9.684 736 HD1 TYR 20 HD1 TYR 20 188.179 -4.869 -6.155 737 HD2 TYR 20 HD2 TYR 20 189.473 -3.963 -10.105 738 HE1 TYR 20 HE1 TYR 20 190.513 -4.877 -5.385 739 HE2 TYR 20 HE2 TYR 20 191.812 -3.969 -9.347 740 HH TYR 20 HH TYR 20 192.762 -5.189 -6.328 741 H LEU 21 HN LEU 21 185.612 -1.630 -10.437 742 HA LEU 21 HA LEU 21 182.845 -2.308 -10.062 743 HB2 LEU 21 HB2 LEU 21 184.195 -0.761 -12.276 744 HB3 LEU 21 HB1 LEU 21 182.463 -0.866 -12.021 745 HG LEU 21 HG LEU 21 184.458 0.426 -10.159 746 HD11 LEU 21 HD11 LEU 21 183.310 2.497 -10.767 747 HD12 LEU 21 HD12 LEU 21 182.301 1.604 -11.905 748 HD13 LEU 21 HD13 LEU 21 184.039 1.725 -12.175 749 HD21 LEU 21 HD21 LEU 21 182.641 -0.625 -8.920 750 HD22 LEU 21 HD22 LEU 21 181.459 0.193 -9.942 751 HD23 LEU 21 HD23 LEU 21 182.501 1.132 -8.874 752 H ASP 22 HN ASP 22 181.482 -3.310 -11.625 753 HA ASP 22 HA ASP 22 182.860 -5.411 -13.124 754 HB2 ASP 22 HB2 ASP 22 181.088 -6.060 -11.514 755 HB3 ASP 22 HB1 ASP 22 179.921 -5.133 -12.453 756 H TYR 23 HN TYR 23 182.490 -2.522 -13.968 757 HA TYR 23 HA TYR 23 180.735 -2.713 -16.262 758 HB2 TYR 23 HB2 TYR 23 180.846 -0.611 -15.020 759 HB3 TYR 23 HB1 TYR 23 182.573 -0.493 -15.340 760 HD1 TYR 23 HD1 TYR 23 183.386 0.342 -17.422 761 HD2 TYR 23 HD2 TYR 23 179.220 -0.323 -16.873 762 HE1 TYR 23 HE1 TYR 23 182.922 1.586 -19.490 763 HE2 TYR 23 HE2 TYR 23 178.744 0.918 -18.941 764 HH TYR 23 HH TYR 23 179.809 2.627 -20.350 765 H GLY 24 HN GLY 24 181.373 -2.653 -18.419 766 HA2 GLY 24 HA2 GLY 24 182.697 -3.150 -20.227 767 HA3 GLY 24 HA1 GLY 24 184.001 -2.367 -19.348 768 H ASP 25 HN ASP 25 185.716 -3.614 -19.087 769 HA ASP 25 HA ASP 25 185.349 -6.527 -19.037 770 HB2 ASP 25 HB2 ASP 25 187.737 -6.658 -19.624 771 HB3 ASP 25 HB1 ASP 25 186.838 -5.691 -20.791 772 H GLY 26 HN GLY 26 186.628 -3.823 -17.226 773 HA2 GLY 26 HA2 GLY 26 186.408 -4.324 -14.738 774 HA3 GLY 26 HA1 GLY 26 187.470 -5.678 -15.092 775 H LYS 27 HN LYS 27 187.377 -2.174 -15.762 776 HA LYS 27 HA LYS 27 190.174 -2.039 -14.844 777 HB2 LYS 27 HB2 LYS 27 188.905 -0.490 -17.110 778 HB3 LYS 27 HB1 LYS 27 190.535 -0.238 -16.505 779 HG2 LYS 27 HG2 LYS 27 189.498 -2.768 -17.767 780 HG3 LYS 27 HG1 LYS 27 190.533 -1.568 -18.544 781 HD2 LYS 27 HD2 LYS 27 192.279 -2.001 -16.883 782 HD3 LYS 27 HD1 LYS 27 191.243 -3.199 -16.106 783 HE2 LYS 27 HE2 LYS 27 192.891 -4.263 -17.560 784 HE3 LYS 27 HE1 LYS 27 191.250 -4.540 -18.142 785 HZ1 LYS 27 HZ1 LYS 27 191.566 -2.778 -19.764 786 HZ2 LYS 27 HZ2 LYS 27 192.745 -3.974 -19.950 787 HZ3 LYS 27 HZ3 LYS 27 193.139 -2.509 -19.204 788 H TRP 28 HN TRP 28 187.146 -0.247 -15.283 789 HA TRP 28 HA TRP 28 187.862 2.059 -13.869 790 HB2 TRP 28 HB2 TRP 28 185.126 0.796 -14.141 791 HB3 TRP 28 HB1 TRP 28 185.442 2.455 -13.646 792 HD1 TRP 28 HD1 TRP 28 185.485 0.190 -16.731 793 HE1 TRP 28 HE1 TRP 28 185.557 1.671 -18.835 794 HE3 TRP 28 HE3 TRP 28 186.177 4.740 -14.501 795 HZ2 TRP 28 HZ2 TRP 28 185.867 4.405 -19.467 796 HZ3 TRP 28 HZ3 TRP 28 186.351 6.737 -15.927 797 HH2 TRP 28 HH2 TRP 28 186.199 6.571 -18.358 798 H VAL 29 HN VAL 29 188.422 2.277 -11.813 799 HA VAL 29 HA VAL 29 187.140 0.538 -9.810 800 HB VAL 29 HB VAL 29 189.245 0.525 -8.527 801 HG11 VAL 29 HG11 VAL 29 190.460 -1.057 -9.956 802 HG12 VAL 29 HG12 VAL 29 189.498 -0.537 -11.338 803 HG13 VAL 29 HG13 VAL 29 188.721 -1.352 -9.981 804 HG21 VAL 29 HG21 VAL 29 190.416 1.838 -10.978 805 HG22 VAL 29 HG22 VAL 29 191.335 1.222 -9.605 806 HG23 VAL 29 HG23 VAL 29 190.230 2.578 -9.389 807 H ALA 30 HN ALA 30 186.445 1.505 -7.971 808 HA ALA 30 HA ALA 30 186.579 4.420 -7.895 809 HB1 ALA 30 HB1 ALA 30 184.904 2.518 -6.261 810 HB2 ALA 30 HB2 ALA 30 184.382 3.358 -7.721 811 HB3 ALA 30 HB3 ALA 30 184.772 4.277 -6.267 812 H GLN 31 HN GLN 31 187.088 5.562 -5.952 813 HA GLN 31 HA GLN 31 188.334 4.146 -3.767 814 HB2 GLN 31 HB2 GLN 31 189.964 5.941 -5.571 815 HB3 GLN 31 HB1 GLN 31 190.493 5.376 -3.993 816 HG2 GLN 31 HG2 GLN 31 190.333 3.056 -4.799 817 HG3 GLN 31 HG1 GLN 31 189.881 3.664 -6.391 818 HE21 GLN 31 HE21 GLN 31 192.442 3.327 -4.068 819 HE22 GLN 31 HE22 GLN 31 193.740 3.721 -5.137 820 H TRP 32 HN TRP 32 188.080 5.235 -1.913 821 HA TRP 32 HA TRP 32 187.800 8.135 -1.944 822 HB2 TRP 32 HB2 TRP 32 185.708 8.048 -0.625 823 HB3 TRP 32 HB1 TRP 32 185.509 7.375 -2.240 824 HD1 TRP 32 HD1 TRP 32 185.136 6.514 1.391 825 HE1 TRP 32 HE1 TRP 32 184.313 4.086 1.628 826 HE3 TRP 32 HE3 TRP 32 185.764 4.967 -3.441 827 HZ2 TRP 32 HZ2 TRP 32 183.978 1.816 -0.015 828 HZ3 TRP 32 HZ3 TRP 32 185.168 2.652 -4.026 829 HH2 TRP 32 HH2 TRP 32 184.294 1.110 -2.346 830 H ASP 33 HN ASP 33 188.297 9.124 0.006 831 HA ASP 33 HA ASP 33 190.017 7.670 1.735 832 HB2 ASP 33 HB2 ASP 33 188.827 10.434 2.056 833 HB3 ASP 33 HB1 ASP 33 190.145 9.777 3.021 834 H THR 34 HN THR 34 189.775 7.234 3.965 835 HA THR 34 HA THR 34 187.147 7.493 5.168 836 HB THR 34 HB THR 34 186.964 5.098 5.720 837 HG1 THR 34 HG1 THR 34 188.551 3.774 5.258 838 HG21 THR 34 HG21 THR 34 186.278 4.306 3.508 839 HG22 THR 34 HG22 THR 34 187.166 5.630 2.754 840 HG23 THR 34 HG23 THR 34 185.767 5.974 3.771 841 H ALA 35 HN ALA 35 187.277 6.149 7.388 842 HA ALA 35 HA ALA 35 189.851 6.872 8.633 843 HB1 ALA 35 HB1 ALA 35 188.044 8.372 9.322 844 HB2 ALA 35 HB2 ALA 35 188.630 7.404 10.674 845 HB3 ALA 35 HB3 ALA 35 187.109 6.987 9.885 846 H VAL 36 HN VAL 36 190.931 5.253 9.545 847 HA VAL 36 HA VAL 36 189.437 2.856 10.381 848 HB VAL 36 HB VAL 36 192.174 2.835 9.102 849 HG11 VAL 36 HG11 VAL 36 191.847 0.406 9.024 850 HG12 VAL 36 HG12 VAL 36 190.314 0.590 9.875 851 HG13 VAL 36 HG13 VAL 36 191.826 1.016 10.678 852 HG21 VAL 36 HG21 VAL 36 190.466 3.459 7.475 853 HG22 VAL 36 HG22 VAL 36 189.509 2.048 7.926 854 HG23 VAL 36 HG23 VAL 36 191.082 1.838 7.155 855 H PHE 37 HN PHE 37 189.903 2.082 12.359 856 HA PHE 37 HA PHE 37 192.395 2.809 13.673 857 HB2 PHE 37 HB2 PHE 37 191.245 3.651 15.683 858 HB3 PHE 37 HB1 PHE 37 190.909 4.652 14.273 859 HD1 PHE 37 HD1 PHE 37 188.704 4.763 13.322 860 HD2 PHE 37 HD2 PHE 37 189.519 2.244 16.655 861 HE1 PHE 37 HE1 PHE 37 186.289 4.503 13.712 862 HE2 PHE 37 HE2 PHE 37 187.105 1.978 17.049 863 HZ PHE 37 HZ PHE 37 185.487 3.108 15.576 864 H HIS 38 HN HIS 38 192.880 1.513 15.510 865 HA HIS 38 HA HIS 38 191.802 -1.145 15.315 866 HB2 HIS 38 HB2 HIS 38 194.203 -0.767 15.701 867 HB3 HIS 38 HB1 HIS 38 193.836 0.001 17.243 868 HD1 HIS 38 HD1 HIS 38 193.384 -1.514 19.232 869 HD2 HIS 38 HD2 HIS 38 193.833 -3.588 15.659 870 HE1 HIS 38 HE1 HIS 38 193.553 -3.939 19.878 871 HE2 HIS 38 HE2 HIS 38 193.825 -5.177 17.700 872 H THR 39 HN THR 39 190.339 -2.104 16.592 873 HA THR 39 HA THR 39 189.060 -0.484 18.652 874 HB THR 39 HB THR 39 187.304 -2.211 18.654 875 HG1 THR 39 HG1 THR 39 188.027 -4.117 18.034 876 HG21 THR 39 HG21 THR 39 187.132 -0.352 17.077 877 HG22 THR 39 HG22 THR 39 186.464 -1.828 16.380 878 HG23 THR 39 HG23 THR 39 188.060 -1.263 15.887 879 H THR 40 HN THR 40 188.260 -1.743 20.625 880 HA THR 40 HA THR 40 190.117 -3.802 21.528 881 HB THR 40 HB THR 40 190.597 -2.632 23.641 882 HG1 THR 40 HG1 THR 40 190.130 -0.292 23.601 883 HG21 THR 40 HG21 THR 40 192.176 -0.979 22.748 884 HG22 THR 40 HG22 THR 40 191.364 -1.050 21.184 885 HG23 THR 40 HG23 THR 40 192.204 -2.470 21.807 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 171.991 1.721 13.705 2 H2 ALA 1 HT2 ALA 1 170.843 1.307 14.877 3 H3 ALA 1 HT3 ALA 1 170.625 0.821 13.272 4 HA ALA 1 HA ALA 1 172.800 -0.078 15.069 5 HB1 ALA 1 HB1 ALA 1 171.676 -2.235 15.064 6 HB2 ALA 1 HB2 ALA 1 170.388 -1.577 14.055 7 HB3 ALA 1 HB3 ALA 1 170.613 -0.979 15.698 8 HA PRO 2 HA PRO 2 174.953 -1.230 11.394 9 HB2 PRO 2 HB2 PRO 2 176.369 -3.369 12.278 10 HB3 PRO 2 HB1 PRO 2 176.755 -1.707 12.747 11 HG2 PRO 2 HG2 PRO 2 175.249 -3.785 14.270 12 HG3 PRO 2 HG1 PRO 2 176.469 -2.631 14.845 13 HD2 PRO 2 HD2 PRO 2 173.816 -2.238 15.201 14 HD3 PRO 2 HD1 PRO 2 174.966 -0.903 14.991 15 H VAL 3 HN VAL 3 174.143 -2.205 9.658 16 HA VAL 3 HA VAL 3 173.054 -4.926 9.942 17 HB VAL 3 HB VAL 3 171.354 -4.392 8.240 18 HG11 VAL 3 HG11 VAL 3 171.294 -2.586 10.655 19 HG12 VAL 3 HG12 VAL 3 170.765 -4.268 10.597 20 HG13 VAL 3 HG13 VAL 3 169.898 -3.039 9.676 21 HG21 VAL 3 HG21 VAL 3 172.349 -1.560 8.546 22 HG22 VAL 3 HG22 VAL 3 170.906 -2.049 7.658 23 HG23 VAL 3 HG23 VAL 3 172.500 -2.569 7.108 24 HA PRO 4 HA PRO 4 175.817 -5.909 6.627 25 HB2 PRO 4 HB2 PRO 4 174.678 -8.191 5.725 26 HB3 PRO 4 HB1 PRO 4 175.540 -8.106 7.269 27 HG2 PRO 4 HG2 PRO 4 172.601 -8.033 6.754 28 HG3 PRO 4 HG1 PRO 4 173.501 -8.894 8.020 29 HD2 PRO 4 HD2 PRO 4 172.214 -6.550 8.472 30 HD3 PRO 4 HD1 PRO 4 173.677 -7.036 9.351 31 H VAL 5 HN VAL 5 176.019 -5.615 4.445 32 HA VAL 5 HA VAL 5 173.746 -4.460 3.073 33 HB VAL 5 HB VAL 5 176.557 -4.880 2.048 34 HG11 VAL 5 HG11 VAL 5 174.930 -4.539 0.272 35 HG12 VAL 5 HG12 VAL 5 175.974 -3.128 0.435 36 HG13 VAL 5 HG13 VAL 5 174.333 -3.088 1.078 37 HG21 VAL 5 HG21 VAL 5 175.328 -2.458 3.362 38 HG22 VAL 5 HG22 VAL 5 176.931 -2.529 2.629 39 HG23 VAL 5 HG23 VAL 5 176.570 -3.502 4.055 40 H THR 6 HN THR 6 172.621 -5.341 1.417 41 HA THR 6 HA THR 6 173.193 -8.145 0.777 42 HB THR 6 HB THR 6 170.891 -8.239 -0.092 43 HG1 THR 6 HG1 THR 6 170.716 -5.545 0.833 44 HG21 THR 6 HG21 THR 6 171.082 -7.070 2.688 45 HG22 THR 6 HG22 THR 6 171.291 -8.770 2.261 46 HG23 THR 6 HG23 THR 6 169.721 -7.994 2.050 47 H LYS 7 HN LYS 7 172.848 -4.976 -0.661 48 HA LYS 7 HA LYS 7 174.034 -5.990 -3.123 49 HB2 LYS 7 HB2 LYS 7 171.627 -6.098 -3.544 50 HB3 LYS 7 HB1 LYS 7 171.454 -4.414 -3.070 51 HG2 LYS 7 HG2 LYS 7 172.742 -3.695 -4.969 52 HG3 LYS 7 HG1 LYS 7 173.093 -5.367 -5.408 53 HD2 LYS 7 HD2 LYS 7 171.310 -4.450 -6.802 54 HD3 LYS 7 HD1 LYS 7 170.711 -5.769 -5.794 55 HE2 LYS 7 HE2 LYS 7 169.805 -4.133 -4.209 56 HE3 LYS 7 HE1 LYS 7 170.397 -2.822 -5.228 57 HZ1 LYS 7 HZ1 LYS 7 168.051 -3.246 -5.607 58 HZ2 LYS 7 HZ2 LYS 7 168.379 -4.853 -6.022 59 HZ3 LYS 7 HZ3 LYS 7 168.947 -3.595 -7.000 60 H LEU 8 HN LEU 8 175.736 -4.754 -3.513 61 HA LEU 8 HA LEU 8 175.581 -1.886 -2.843 62 HB2 LEU 8 HB2 LEU 8 177.119 -3.382 -1.433 63 HB3 LEU 8 HB1 LEU 8 178.125 -3.491 -2.862 64 HG LEU 8 HG LEU 8 178.968 -1.807 -1.309 65 HD11 LEU 8 HD11 LEU 8 177.816 -0.445 -3.732 66 HD12 LEU 8 HD12 LEU 8 179.206 -1.528 -3.782 67 HD13 LEU 8 HD13 LEU 8 179.289 -0.030 -2.856 68 HD21 LEU 8 HD21 LEU 8 176.337 -0.405 -1.762 69 HD22 LEU 8 HD22 LEU 8 177.708 0.219 -0.844 70 HD23 LEU 8 HD23 LEU 8 176.837 -1.203 -0.270 71 H VAL 9 HN VAL 9 175.465 -0.737 -4.652 72 HA VAL 9 HA VAL 9 177.129 -1.560 -6.943 73 HB VAL 9 HB VAL 9 175.444 -0.525 -8.429 74 HG11 VAL 9 HG11 VAL 9 175.403 -2.920 -8.090 75 HG12 VAL 9 HG12 VAL 9 173.754 -2.309 -8.221 76 HG13 VAL 9 HG13 VAL 9 174.416 -2.726 -6.642 77 HG21 VAL 9 HG21 VAL 9 173.211 -0.016 -7.549 78 HG22 VAL 9 HG22 VAL 9 174.445 1.029 -6.843 79 HG23 VAL 9 HG23 VAL 9 173.793 -0.320 -5.912 80 H CYS 10 HN CYS 10 177.506 0.334 -8.486 81 HA CYS 10 HA CYS 10 177.713 2.900 -7.100 82 HB2 CYS 10 HB2 CYS 10 179.850 1.768 -6.686 83 HB3 CYS 10 HB1 CYS 10 180.059 1.516 -8.416 84 HG CYS 10 HG CYS 10 181.194 3.942 -6.680 85 H ASP 11 HN ASP 11 178.095 4.703 -8.527 86 HA ASP 11 HA ASP 11 177.369 4.125 -11.325 87 HB2 ASP 11 HB2 ASP 11 176.572 6.515 -9.647 88 HB3 ASP 11 HB1 ASP 11 176.185 6.295 -11.351 89 H GLY 12 HN GLY 12 179.057 4.482 -12.602 90 HA2 GLY 12 HA2 GLY 12 181.277 6.099 -11.856 91 HA3 GLY 12 HA1 GLY 12 181.004 5.380 -13.435 92 H ASP 13 HN ASP 13 178.289 6.819 -13.411 93 HA ASP 13 HA ASP 13 178.988 8.968 -15.033 94 HB2 ASP 13 HB2 ASP 13 176.464 8.589 -13.409 95 HB3 ASP 13 HB1 ASP 13 176.654 9.725 -14.742 96 H THR 14 HN THR 14 177.475 9.329 -11.823 97 HA THR 14 HA THR 14 178.766 11.934 -11.559 98 HB THR 14 HB THR 14 177.296 12.237 -9.591 99 HG1 THR 14 HG1 THR 14 175.569 10.569 -9.445 100 HG21 THR 14 HG21 THR 14 175.181 12.372 -10.828 101 HG22 THR 14 HG22 THR 14 175.863 11.359 -12.100 102 HG23 THR 14 HG23 THR 14 176.532 12.962 -11.796 103 H TYR 15 HN TYR 15 179.845 8.993 -11.012 104 HA TYR 15 HA TYR 15 181.428 8.072 -9.668 105 HB2 TYR 15 HB2 TYR 15 181.808 10.869 -8.586 106 HB3 TYR 15 HB1 TYR 15 182.964 9.543 -8.522 107 HD1 TYR 15 HD1 TYR 15 181.974 12.427 -10.292 108 HD2 TYR 15 HD2 TYR 15 183.695 8.577 -10.847 109 HE1 TYR 15 HE1 TYR 15 182.934 13.172 -12.429 110 HE2 TYR 15 HE2 TYR 15 184.663 9.311 -12.986 111 HH TYR 15 HH TYR 15 184.251 11.026 -14.700 112 H LYS 16 HN LYS 16 178.603 8.457 -8.728 113 HA LYS 16 HA LYS 16 178.948 8.613 -5.834 114 HB2 LYS 16 HB2 LYS 16 176.515 8.582 -5.721 115 HB3 LYS 16 HB1 LYS 16 177.059 9.809 -6.857 116 HG2 LYS 16 HG2 LYS 16 176.534 8.350 -8.723 117 HG3 LYS 16 HG1 LYS 16 176.047 7.073 -7.606 118 HD2 LYS 16 HD2 LYS 16 174.249 8.479 -6.757 119 HD3 LYS 16 HD1 LYS 16 174.754 9.792 -7.822 120 HE2 LYS 16 HE2 LYS 16 174.279 8.385 -9.771 121 HE3 LYS 16 HE1 LYS 16 173.766 7.081 -8.702 122 HZ1 LYS 16 HZ1 LYS 16 172.484 9.752 -8.908 123 HZ2 LYS 16 HZ2 LYS 16 171.992 8.503 -7.880 124 HZ3 LYS 16 HZ3 LYS 16 171.877 8.312 -9.557 125 H CYS 17 HN CYS 17 178.133 6.954 -4.430 126 HA CYS 17 HA CYS 17 178.015 4.285 -5.669 127 HB2 CYS 17 HB2 CYS 17 180.214 4.605 -4.629 128 HB3 CYS 17 HB1 CYS 17 179.442 5.029 -3.106 129 HG CYS 17 HG CYS 17 178.106 2.306 -3.356 130 H THR 18 HN THR 18 176.022 3.539 -5.375 131 HA THR 18 HA THR 18 174.483 4.351 -3.034 132 HB THR 18 HB THR 18 173.610 2.681 -5.402 133 HG1 THR 18 HG1 THR 18 174.243 4.978 -5.769 134 HG21 THR 18 HG21 THR 18 172.217 2.330 -3.430 135 HG22 THR 18 HG22 THR 18 171.337 3.252 -4.648 136 HG23 THR 18 HG23 THR 18 172.018 4.072 -3.243 137 H ALA 19 HN ALA 19 173.423 2.839 -1.669 138 HA ALA 19 HA ALA 19 174.356 0.071 -1.768 139 HB1 ALA 19 HB1 ALA 19 174.629 1.742 0.725 140 HB2 ALA 19 HB2 ALA 19 175.961 1.341 -0.358 141 HB3 ALA 19 HB3 ALA 19 175.114 0.061 0.511 142 H TYR 20 HN TYR 20 172.999 -1.405 -0.747 143 HA TYR 20 HA TYR 20 170.415 -0.302 0.141 144 HB2 TYR 20 HB2 TYR 20 171.006 -2.922 -1.250 145 HB3 TYR 20 HB1 TYR 20 169.426 -2.454 -0.629 146 HD1 TYR 20 HD1 TYR 20 172.069 -1.419 -3.033 147 HD2 TYR 20 HD2 TYR 20 167.960 -1.205 -1.956 148 HE1 TYR 20 HE1 TYR 20 171.577 -0.290 -5.161 149 HE2 TYR 20 HE2 TYR 20 167.455 -0.076 -4.082 150 HH TYR 20 HH TYR 20 168.626 1.264 -5.778 151 H LEU 21 HN LEU 21 170.218 -0.429 2.270 152 HA LEU 21 HA LEU 21 171.709 -2.310 3.843 153 HB2 LEU 21 HB2 LEU 21 169.505 -0.415 4.658 154 HB3 LEU 21 HB1 LEU 21 170.558 -1.287 5.755 155 HG LEU 21 HG LEU 21 171.401 0.868 3.817 156 HD11 LEU 21 HD11 LEU 21 170.187 1.722 5.747 157 HD12 LEU 21 HD12 LEU 21 171.896 2.146 5.841 158 HD13 LEU 21 HD13 LEU 21 171.258 0.832 6.829 159 HD21 LEU 21 HD21 LEU 21 173.128 -0.841 4.056 160 HD22 LEU 21 HD22 LEU 21 173.035 -0.699 5.811 161 HD23 LEU 21 HD23 LEU 21 173.607 0.662 4.845 162 H ASP 22 HN ASP 22 170.779 -3.841 5.325 163 HA ASP 22 HA ASP 22 168.438 -5.170 4.180 164 HB2 ASP 22 HB2 ASP 22 170.512 -6.485 4.519 165 HB3 ASP 22 HB1 ASP 22 170.409 -6.173 6.249 166 H TYR 23 HN TYR 23 168.484 -2.749 6.044 167 HA TYR 23 HA TYR 23 167.314 -3.669 8.496 168 HB2 TYR 23 HB2 TYR 23 168.590 -1.576 8.407 169 HB3 TYR 23 HB1 TYR 23 167.419 -0.899 7.281 170 HD1 TYR 23 HD1 TYR 23 165.198 -0.226 8.053 171 HD2 TYR 23 HD2 TYR 23 168.098 -1.755 10.764 172 HE1 TYR 23 HE1 TYR 23 163.879 0.634 9.940 173 HE2 TYR 23 HE2 TYR 23 166.786 -0.900 12.658 174 HH TYR 23 HH TYR 23 163.589 0.187 12.341 175 H GLY 24 HN GLY 24 165.170 -3.587 9.130 176 HA2 GLY 24 HA2 GLY 24 162.894 -3.728 8.877 177 HA3 GLY 24 HA1 GLY 24 163.061 -2.451 7.681 178 H ASP 25 HN ASP 25 163.328 -3.010 5.479 179 HA ASP 25 HA ASP 25 162.851 -5.826 4.808 180 HB2 ASP 25 HB2 ASP 25 160.667 -4.697 4.800 181 HB3 ASP 25 HB1 ASP 25 161.289 -3.496 3.672 182 H GLY 26 HN GLY 26 163.645 -2.589 3.577 183 HA2 GLY 26 HA2 GLY 26 166.001 -2.917 2.428 184 HA3 GLY 26 HA1 GLY 26 164.993 -3.775 1.273 185 H LYS 27 HN LYS 27 164.364 -0.788 3.086 186 HA LYS 27 HA LYS 27 163.906 0.558 0.510 187 HB2 LYS 27 HB2 LYS 27 162.837 1.232 3.258 188 HB3 LYS 27 HB1 LYS 27 162.505 2.143 1.791 189 HG2 LYS 27 HG2 LYS 27 161.750 -0.734 2.252 190 HG3 LYS 27 HG1 LYS 27 160.664 0.647 2.411 191 HD2 LYS 27 HD2 LYS 27 160.952 1.180 0.063 192 HD3 LYS 27 HD1 LYS 27 162.118 -0.131 -0.117 193 HE2 LYS 27 HE2 LYS 27 159.937 -0.800 -0.959 194 HE3 LYS 27 HE1 LYS 27 160.377 -1.753 0.458 195 HZ1 LYS 27 HZ1 LYS 27 158.540 0.582 0.446 196 HZ2 LYS 27 HZ2 LYS 27 158.962 -0.331 1.807 197 HZ3 LYS 27 HZ3 LYS 27 158.074 -1.041 0.555 198 H TRP 28 HN TRP 28 165.620 0.721 3.551 199 HA TRP 28 HA TRP 28 166.604 3.378 3.206 200 HB2 TRP 28 HB2 TRP 28 167.649 1.129 4.941 201 HB3 TRP 28 HB1 TRP 28 168.127 2.819 5.063 202 HD1 TRP 28 HD1 TRP 28 165.234 0.460 5.872 203 HE1 TRP 28 HE1 TRP 28 163.623 1.654 7.487 204 HE3 TRP 28 HE3 TRP 28 167.297 5.137 5.768 205 HZ2 TRP 28 HZ2 TRP 28 163.273 4.235 8.572 206 HZ3 TRP 28 HZ3 TRP 28 166.264 6.912 7.123 207 HH2 TRP 28 HH2 TRP 28 164.293 6.469 8.494 208 H VAL 29 HN VAL 29 168.259 4.077 2.019 209 HA VAL 29 HA VAL 29 170.304 2.154 1.157 210 HB VAL 29 HB VAL 29 170.321 3.138 -1.101 211 HG11 VAL 29 HG11 VAL 29 169.076 1.086 -0.704 212 HG12 VAL 29 HG12 VAL 29 168.262 2.080 -1.913 213 HG13 VAL 29 HG13 VAL 29 167.648 2.021 -0.261 214 HG21 VAL 29 HG21 VAL 29 168.444 4.538 -1.837 215 HG22 VAL 29 HG22 VAL 29 169.389 5.324 -0.573 216 HG23 VAL 29 HG23 VAL 29 167.837 4.584 -0.182 217 H ALA 30 HN ALA 30 172.360 2.976 0.909 218 HA ALA 30 HA ALA 30 172.754 5.687 1.966 219 HB1 ALA 30 HB1 ALA 30 175.001 4.984 2.544 220 HB2 ALA 30 HB2 ALA 30 174.743 3.430 1.752 221 HB3 ALA 30 HB3 ALA 30 173.824 3.845 3.198 222 H GLN 31 HN GLN 31 174.365 7.059 1.019 223 HA GLN 31 HA GLN 31 175.433 6.390 -1.576 224 HB2 GLN 31 HB2 GLN 31 173.240 8.428 -1.250 225 HB3 GLN 31 HB1 GLN 31 174.369 8.485 -2.596 226 HG2 GLN 31 HG2 GLN 31 173.670 6.201 -3.228 227 HG3 GLN 31 HG1 GLN 31 172.476 6.243 -1.932 228 HE21 GLN 31 HE21 GLN 31 170.665 7.539 -2.142 229 HE22 GLN 31 HE22 GLN 31 170.185 8.223 -3.654 230 H TRP 32 HN TRP 32 177.384 7.256 -1.724 231 HA TRP 32 HA TRP 32 177.905 9.882 -0.559 232 HB2 TRP 32 HB2 TRP 32 179.967 9.079 0.535 233 HB3 TRP 32 HB1 TRP 32 178.527 8.324 1.209 234 HD1 TRP 32 HD1 TRP 32 181.794 7.516 -0.452 235 HE1 TRP 32 HE1 TRP 32 182.035 4.965 -0.698 236 HE3 TRP 32 HE3 TRP 32 177.025 6.129 0.758 237 HZ2 TRP 32 HZ2 TRP 32 180.417 2.670 -0.418 238 HZ3 TRP 32 HZ3 TRP 32 176.453 3.736 0.746 239 HH2 TRP 32 HH2 TRP 32 178.116 2.044 0.169 240 H ASP 33 HN ASP 33 179.306 11.090 -1.724 241 HA ASP 33 HA ASP 33 179.954 10.335 -4.349 242 HB2 ASP 33 HB2 ASP 33 181.126 12.558 -2.662 243 HB3 ASP 33 HB1 ASP 33 181.286 12.415 -4.411 244 H THR 34 HN THR 34 181.954 9.894 -5.335 245 HA THR 34 HA THR 34 184.262 9.341 -3.663 246 HB THR 34 HB THR 34 184.523 7.029 -4.464 247 HG1 THR 34 HG1 THR 34 183.226 6.262 -5.951 248 HG21 THR 34 HG21 THR 34 181.882 7.507 -3.079 249 HG22 THR 34 HG22 THR 34 183.458 7.434 -2.292 250 HG23 THR 34 HG23 THR 34 182.796 5.999 -3.075 251 H ALA 35 HN ALA 35 185.971 8.167 -5.236 252 HA ALA 35 HA ALA 35 185.985 9.753 -7.721 253 HB1 ALA 35 HB1 ALA 35 188.420 9.793 -7.564 254 HB2 ALA 35 HB2 ALA 35 188.346 8.856 -6.071 255 HB3 ALA 35 HB3 ALA 35 187.681 10.489 -6.122 256 H VAL 36 HN VAL 36 185.805 8.586 -9.508 257 HA VAL 36 HA VAL 36 186.914 5.855 -9.529 258 HB VAL 36 HB VAL 36 184.429 6.729 -11.006 259 HG11 VAL 36 HG11 VAL 36 184.127 4.328 -11.401 260 HG12 VAL 36 HG12 VAL 36 185.657 4.007 -10.583 261 HG13 VAL 36 HG13 VAL 36 185.640 4.920 -12.091 262 HG21 VAL 36 HG21 VAL 36 183.187 5.370 -9.378 263 HG22 VAL 36 HG22 VAL 36 183.999 6.738 -8.615 264 HG23 VAL 36 HG23 VAL 36 184.677 5.116 -8.469 265 H PHE 37 HN PHE 37 188.333 5.458 -11.100 266 HA PHE 37 HA PHE 37 188.229 7.018 -13.572 267 HB2 PHE 37 HB2 PHE 37 190.648 7.448 -13.496 268 HB3 PHE 37 HB1 PHE 37 189.819 8.202 -12.139 269 HD1 PHE 37 HD1 PHE 37 192.059 5.479 -13.156 270 HD2 PHE 37 HD2 PHE 37 190.241 7.513 -9.889 271 HE1 PHE 37 HE1 PHE 37 193.598 4.352 -11.602 272 HE2 PHE 37 HE2 PHE 37 191.776 6.390 -8.330 273 HZ PHE 37 HZ PHE 37 193.458 4.807 -9.186 274 H HIS 38 HN HIS 38 189.231 6.018 -15.362 275 HA HIS 38 HA HIS 38 189.058 3.189 -15.366 276 HB2 HIS 38 HB2 HIS 38 188.555 4.531 -17.357 277 HB3 HIS 38 HB1 HIS 38 190.233 5.055 -17.439 278 HD1 HIS 38 HD1 HIS 38 191.761 3.649 -18.811 279 HD2 HIS 38 HD2 HIS 38 188.264 1.643 -17.802 280 HE1 HIS 38 HE1 HIS 38 191.845 1.474 -20.072 281 HE2 HIS 38 HE2 HIS 38 189.718 0.276 -19.448 282 H THR 39 HN THR 39 190.596 1.630 -15.296 283 HA THR 39 HA THR 39 193.275 2.479 -14.475 284 HB THR 39 HB THR 39 193.584 0.162 -13.707 285 HG1 THR 39 HG1 THR 39 191.920 -1.322 -13.911 286 HG21 THR 39 HG21 THR 39 191.010 1.425 -12.757 287 HG22 THR 39 HG22 THR 39 192.629 1.774 -12.152 288 HG23 THR 39 HG23 THR 39 191.917 0.182 -11.895 289 H THR 40 HN THR 40 194.883 0.463 -15.115 290 HA THR 40 HA THR 40 196.231 -0.299 -16.780 291 HB THR 40 HB THR 40 195.202 -1.569 -18.566 292 HG1 THR 40 HG1 THR 40 193.520 -0.131 -19.126 293 HG21 THR 40 HG21 THR 40 195.205 -2.579 -16.338 294 HG22 THR 40 HG22 THR 40 193.780 -3.074 -17.252 295 HG23 THR 40 HG23 THR 40 193.639 -1.844 -15.996 296 H1 ALA 1 HT1 ALA 1 197.826 -1.402 2.633 297 H2 ALA 1 HT2 ALA 1 199.319 -2.161 2.870 298 H3 ALA 1 HT3 ALA 1 197.938 -2.754 3.645 299 HA ALA 1 HA ALA 1 198.400 -2.727 0.719 300 HB1 ALA 1 HB1 ALA 1 198.601 -5.145 0.905 301 HB2 ALA 1 HB2 ALA 1 198.392 -5.041 2.653 302 HB3 ALA 1 HB3 ALA 1 199.821 -4.340 1.892 303 HA PRO 2 HA PRO 2 194.027 -3.154 0.325 304 HB2 PRO 2 HB2 PRO 2 193.857 -4.592 -1.969 305 HB3 PRO 2 HB1 PRO 2 194.329 -2.887 -1.941 306 HG2 PRO 2 HG2 PRO 2 196.059 -5.310 -2.147 307 HG3 PRO 2 HG1 PRO 2 196.173 -3.768 -3.018 308 HD2 PRO 2 HD2 PRO 2 197.748 -4.360 -0.900 309 HD3 PRO 2 HD1 PRO 2 197.231 -2.705 -1.281 310 H VAL 3 HN VAL 3 192.731 -4.424 1.478 311 HA VAL 3 HA VAL 3 193.090 -7.341 1.305 312 HB VAL 3 HB VAL 3 192.442 -7.532 3.676 313 HG11 VAL 3 HG11 VAL 3 194.851 -5.781 3.189 314 HG12 VAL 3 HG12 VAL 3 194.800 -7.541 3.075 315 HG13 VAL 3 HG13 VAL 3 194.561 -6.750 4.634 316 HG21 VAL 3 HG21 VAL 3 192.662 -4.522 3.681 317 HG22 VAL 3 HG22 VAL 3 192.468 -5.538 5.109 318 HG23 VAL 3 HG23 VAL 3 191.186 -5.461 3.900 319 HA PRO 4 HA PRO 4 188.779 -7.374 0.303 320 HB2 PRO 4 HB2 PRO 4 188.179 -9.947 0.885 321 HB3 PRO 4 HB1 PRO 4 189.155 -9.495 -0.521 322 HG2 PRO 4 HG2 PRO 4 190.051 -10.520 2.135 323 HG3 PRO 4 HG1 PRO 4 190.631 -10.943 0.512 324 HD2 PRO 4 HD2 PRO 4 191.948 -9.216 2.136 325 HD3 PRO 4 HD1 PRO 4 191.986 -9.099 0.365 326 H VAL 5 HN VAL 5 186.810 -7.110 1.276 327 HA VAL 5 HA VAL 5 186.802 -6.921 4.166 328 HB VAL 5 HB VAL 5 184.563 -6.323 2.227 329 HG11 VAL 5 HG11 VAL 5 183.790 -6.669 4.508 330 HG12 VAL 5 HG12 VAL 5 183.659 -4.968 4.060 331 HG13 VAL 5 HG13 VAL 5 184.977 -5.508 5.101 332 HG21 VAL 5 HG21 VAL 5 186.622 -4.470 3.422 333 HG22 VAL 5 HG22 VAL 5 185.239 -3.978 2.444 334 HG23 VAL 5 HG23 VAL 5 186.518 -4.960 1.731 335 H THR 6 HN THR 6 185.734 -8.216 5.566 336 HA THR 6 HA THR 6 184.511 -10.639 4.454 337 HB THR 6 HB THR 6 184.781 -11.601 6.706 338 HG1 THR 6 HG1 THR 6 186.059 -9.126 7.321 339 HG21 THR 6 HG21 THR 6 187.304 -10.338 5.626 340 HG22 THR 6 HG22 THR 6 186.592 -11.858 5.083 341 HG23 THR 6 HG23 THR 6 187.232 -11.720 6.721 342 H LYS 7 HN LYS 7 183.855 -7.873 6.492 343 HA LYS 7 HA LYS 7 181.008 -8.479 6.356 344 HB2 LYS 7 HB2 LYS 7 181.717 -9.475 8.474 345 HB3 LYS 7 HB1 LYS 7 182.451 -7.953 8.960 346 HG2 LYS 7 HG2 LYS 7 180.299 -6.888 9.061 347 HG3 LYS 7 HG1 LYS 7 179.516 -8.332 8.417 348 HD2 LYS 7 HD2 LYS 7 179.231 -8.183 10.837 349 HD3 LYS 7 HD1 LYS 7 180.202 -9.590 10.398 350 HE2 LYS 7 HE2 LYS 7 182.240 -8.339 10.935 351 HE3 LYS 7 HE1 LYS 7 181.262 -6.943 11.384 352 HZ1 LYS 7 HZ1 LYS 7 181.936 -8.209 13.325 353 HZ2 LYS 7 HZ2 LYS 7 181.193 -9.600 12.710 354 HZ3 LYS 7 HZ3 LYS 7 180.253 -8.261 13.141 355 H LEU 8 HN LEU 8 180.066 -6.722 5.578 356 HA LEU 8 HA LEU 8 181.133 -4.086 6.356 357 HB2 LEU 8 HB2 LEU 8 181.460 -4.861 3.932 358 HB3 LEU 8 HB1 LEU 8 179.730 -4.650 3.756 359 HG LEU 8 HG LEU 8 180.952 -2.716 2.905 360 HD11 LEU 8 HD11 LEU 8 179.539 -1.964 5.452 361 HD12 LEU 8 HD12 LEU 8 178.709 -2.464 3.981 362 HD13 LEU 8 HD13 LEU 8 179.698 -1.005 3.981 363 HD21 LEU 8 HD21 LEU 8 181.950 -2.391 5.731 364 HD22 LEU 8 HD22 LEU 8 182.222 -1.274 4.393 365 HD23 LEU 8 HD23 LEU 8 182.921 -2.893 4.346 366 H VAL 9 HN VAL 9 179.758 -3.130 7.700 367 HA VAL 9 HA VAL 9 176.871 -3.375 7.158 368 HB VAL 9 HB VAL 9 176.479 -3.085 9.584 369 HG11 VAL 9 HG11 VAL 9 176.454 -5.315 8.646 370 HG12 VAL 9 HG12 VAL 9 177.177 -5.354 10.254 371 HG13 VAL 9 HG13 VAL 9 178.204 -5.439 8.823 372 HG21 VAL 9 HG21 VAL 9 178.341 -3.394 11.151 373 HG22 VAL 9 HG22 VAL 9 178.549 -1.945 10.168 374 HG23 VAL 9 HG23 VAL 9 179.472 -3.401 9.798 375 H CYS 10 HN CYS 10 175.612 -1.536 8.228 376 HA CYS 10 HA CYS 10 177.101 0.980 8.270 377 HB2 CYS 10 HB2 CYS 10 176.331 0.723 5.954 378 HB3 CYS 10 HB1 CYS 10 174.680 0.499 6.521 379 HG CYS 10 HG CYS 10 176.035 3.237 5.598 380 H ASP 11 HN ASP 11 175.929 2.741 9.248 381 HA ASP 11 HA ASP 11 173.718 1.830 10.971 382 HB2 ASP 11 HB2 ASP 11 175.895 3.825 11.631 383 HB3 ASP 11 HB1 ASP 11 174.541 3.414 12.680 384 H GLY 12 HN GLY 12 171.878 2.730 10.327 385 HA2 GLY 12 HA2 GLY 12 171.753 5.072 8.718 386 HA3 GLY 12 HA1 GLY 12 170.386 4.244 9.445 387 H ASP 13 HN ASP 13 171.847 4.591 12.127 388 HA ASP 13 HA ASP 13 170.409 6.783 13.057 389 HB2 ASP 13 HB2 ASP 13 172.931 5.571 14.209 390 HB3 ASP 13 HB1 ASP 13 171.834 6.645 15.071 391 H THR 14 HN THR 14 173.971 6.689 12.886 392 HA THR 14 HA THR 14 173.985 9.594 12.593 393 HB THR 14 HB THR 14 176.429 9.414 12.955 394 HG1 THR 14 HG1 THR 14 177.104 7.238 13.724 395 HG21 THR 14 HG21 THR 14 176.322 8.720 15.306 396 HG22 THR 14 HG22 THR 14 174.749 7.977 15.014 397 HG23 THR 14 HG23 THR 14 174.940 9.724 14.868 398 H TYR 15 HN TYR 15 173.558 7.274 10.461 399 HA TYR 15 HA TYR 15 173.889 7.048 8.225 400 HB2 TYR 15 HB2 TYR 15 175.065 9.830 8.351 401 HB3 TYR 15 HB1 TYR 15 174.407 9.022 6.931 402 HD1 TYR 15 HD1 TYR 15 173.712 11.274 9.554 403 HD2 TYR 15 HD2 TYR 15 171.892 8.303 7.114 404 HE1 TYR 15 HE1 TYR 15 171.502 12.235 10.042 405 HE2 TYR 15 HE2 TYR 15 169.677 9.257 7.594 406 HH TYR 15 HH TYR 15 168.600 10.633 9.323 407 H LYS 16 HN LYS 16 176.055 6.411 10.203 408 HA LYS 16 HA LYS 16 178.464 6.793 8.600 409 HB2 LYS 16 HB2 LYS 16 179.665 5.880 10.512 410 HB3 LYS 16 HB1 LYS 16 178.594 7.177 11.026 411 HG2 LYS 16 HG2 LYS 16 176.985 5.554 11.844 412 HG3 LYS 16 HG1 LYS 16 178.007 4.234 11.277 413 HD2 LYS 16 HD2 LYS 16 179.771 4.917 12.810 414 HD3 LYS 16 HD1 LYS 16 178.792 6.281 13.350 415 HE2 LYS 16 HE2 LYS 16 177.095 4.723 14.185 416 HE3 LYS 16 HE1 LYS 16 178.083 3.364 13.652 417 HZ1 LYS 16 HZ1 LYS 16 178.864 5.374 15.696 418 HZ2 LYS 16 HZ2 LYS 16 179.814 4.070 15.185 419 HZ3 LYS 16 HZ3 LYS 16 178.365 3.787 16.010 420 H CYS 17 HN CYS 17 179.833 5.007 8.033 421 HA CYS 17 HA CYS 17 178.419 2.434 7.814 422 HB2 CYS 17 HB2 CYS 17 178.377 3.575 5.643 423 HB3 CYS 17 HB1 CYS 17 180.128 3.746 5.689 424 HG CYS 17 HG CYS 17 180.130 0.716 5.970 425 H THR 18 HN THR 18 179.478 1.024 9.040 426 HA THR 18 HA THR 18 182.350 1.306 9.452 427 HB THR 18 HB THR 18 180.429 -0.657 10.720 428 HG1 THR 18 HG1 THR 18 180.144 1.695 11.160 429 HG21 THR 18 HG21 THR 18 182.747 -1.416 10.796 430 HG22 THR 18 HG22 THR 18 182.206 -0.927 12.402 431 HG23 THR 18 HG23 THR 18 183.249 0.139 11.459 432 H ALA 19 HN ALA 19 183.818 -0.435 9.152 433 HA ALA 19 HA ALA 19 182.913 -2.672 7.504 434 HB1 ALA 19 HB1 ALA 19 185.219 -0.922 6.664 435 HB2 ALA 19 HB2 ALA 19 183.603 -0.849 5.962 436 HB3 ALA 19 HB3 ALA 19 184.570 -2.316 5.802 437 H TYR 20 HN TYR 20 184.219 -4.500 7.620 438 HA TYR 20 HA TYR 20 186.332 -4.384 9.671 439 HB2 TYR 20 HB2 TYR 20 184.467 -6.659 8.965 440 HB3 TYR 20 HB1 TYR 20 185.798 -6.777 10.112 441 HD1 TYR 20 HD1 TYR 20 182.629 -4.943 9.458 442 HD2 TYR 20 HD2 TYR 20 185.476 -6.202 12.357 443 HE1 TYR 20 HE1 TYR 20 181.143 -4.154 11.251 444 HE2 TYR 20 HE2 TYR 20 183.998 -5.417 14.158 445 HH TYR 20 HH TYR 20 182.165 -3.810 14.467 446 H LEU 21 HN LEU 21 188.274 -4.490 8.776 447 HA LEU 21 HA LEU 21 188.712 -5.635 6.180 448 HB2 LEU 21 HB2 LEU 21 190.700 -4.648 8.226 449 HB3 LEU 21 HB1 LEU 21 191.062 -5.031 6.554 450 HG LEU 21 HG LEU 21 189.281 -2.794 7.520 451 HD11 LEU 21 HD11 LEU 21 191.651 -2.369 7.879 452 HD12 LEU 21 HD12 LEU 21 191.016 -1.345 6.590 453 HD13 LEU 21 HD13 LEU 21 191.987 -2.763 6.193 454 HD21 LEU 21 HD21 LEU 21 188.461 -3.742 5.426 455 HD22 LEU 21 HD22 LEU 21 190.067 -3.576 4.716 456 HD23 LEU 21 HD23 LEU 21 189.152 -2.139 5.171 457 H ASP 22 HN ASP 22 190.220 -7.342 5.713 458 HA ASP 22 HA ASP 22 190.089 -9.477 7.709 459 HB2 ASP 22 HB2 ASP 22 189.256 -9.930 5.417 460 HB3 ASP 22 HB1 ASP 22 190.869 -9.610 4.787 461 H TYR 23 HN TYR 23 192.051 -7.137 7.605 462 HA TYR 23 HA TYR 23 194.608 -8.325 7.078 463 HB2 TYR 23 HB2 TYR 23 194.246 -5.916 6.794 464 HB3 TYR 23 HB1 TYR 23 193.886 -5.758 8.510 465 HD1 TYR 23 HD1 TYR 23 195.670 -5.913 10.174 466 HD2 TYR 23 HD2 TYR 23 196.517 -6.170 6.013 467 HE1 TYR 23 HE1 TYR 23 198.052 -5.522 10.640 468 HE2 TYR 23 HE2 TYR 23 198.902 -5.781 6.468 469 HH TYR 23 HH TYR 23 200.231 -5.950 9.585 470 H GLY 24 HN GLY 24 196.153 -9.009 8.546 471 HA2 GLY 24 HA2 GLY 24 196.946 -9.980 10.467 472 HA3 GLY 24 HA1 GLY 24 196.000 -8.779 11.333 473 H ASP 25 HN ASP 25 193.863 -9.286 11.972 474 HA ASP 25 HA ASP 25 193.090 -12.105 11.725 475 HB2 ASP 25 HB2 ASP 25 194.237 -11.853 13.885 476 HB3 ASP 25 HB1 ASP 25 193.134 -10.553 14.323 477 H GLY 26 HN GLY 26 192.107 -8.851 12.762 478 HA2 GLY 26 HA2 GLY 26 189.978 -8.340 11.284 479 HA3 GLY 26 HA1 GLY 26 189.300 -9.550 12.361 480 H LYS 27 HN LYS 27 191.604 -6.933 13.021 481 HA LYS 27 HA LYS 27 189.742 -5.947 15.074 482 HB2 LYS 27 HB2 LYS 27 192.738 -5.606 14.864 483 HB3 LYS 27 HB1 LYS 27 191.730 -4.935 16.139 484 HG2 LYS 27 HG2 LYS 27 192.067 -7.871 15.558 485 HG3 LYS 27 HG1 LYS 27 192.900 -6.977 16.832 486 HD2 LYS 27 HD2 LYS 27 190.781 -6.466 17.896 487 HD3 LYS 27 HD1 LYS 27 189.905 -7.266 16.590 488 HE2 LYS 27 HE2 LYS 27 190.062 -8.717 18.535 489 HE3 LYS 27 HE1 LYS 27 190.971 -9.389 17.181 490 HZ1 LYS 27 HZ1 LYS 27 192.130 -7.889 19.469 491 HZ2 LYS 27 HZ2 LYS 27 193.003 -8.532 18.171 492 HZ3 LYS 27 HZ3 LYS 27 192.207 -9.565 19.246 493 H TRP 28 HN TRP 28 191.656 -5.052 12.291 494 HA TRP 28 HA TRP 28 191.284 -2.235 12.556 495 HB2 TRP 28 HB2 TRP 28 192.014 -3.878 10.121 496 HB3 TRP 28 HB1 TRP 28 192.142 -2.127 10.248 497 HD1 TRP 28 HD1 TRP 28 193.836 -5.346 11.414 498 HE1 TRP 28 HE1 TRP 28 196.158 -4.762 12.359 499 HE3 TRP 28 HE3 TRP 28 193.471 -0.247 11.372 500 HZ2 TRP 28 HZ2 TRP 28 197.638 -2.446 13.002 501 HZ3 TRP 28 HZ3 TRP 28 195.383 1.079 12.169 502 HH2 TRP 28 HH2 TRP 28 197.423 0.001 12.968 503 H VAL 29 HN VAL 29 189.586 -1.026 12.013 504 HA VAL 29 HA VAL 29 187.624 -2.102 10.110 505 HB VAL 29 HB VAL 29 185.772 -1.268 11.503 506 HG11 VAL 29 HG11 VAL 29 186.396 -3.615 11.631 507 HG12 VAL 29 HG12 VAL 29 185.845 -3.035 13.202 508 HG13 VAL 29 HG13 VAL 29 187.569 -3.250 12.897 509 HG21 VAL 29 HG21 VAL 29 186.177 -0.679 13.851 510 HG22 VAL 29 HG22 VAL 29 186.970 0.446 12.750 511 HG23 VAL 29 HG23 VAL 29 187.915 -0.793 13.574 512 H ALA 30 HN ALA 30 186.588 -0.596 8.836 513 HA ALA 30 HA ALA 30 187.723 2.110 8.932 514 HB1 ALA 30 HB1 ALA 30 187.108 2.300 6.594 515 HB2 ALA 30 HB2 ALA 30 186.309 0.730 6.655 516 HB3 ALA 30 HB3 ALA 30 188.057 0.837 6.855 517 H GLN 31 HN GLN 31 186.353 3.939 8.540 518 HA GLN 31 HA GLN 31 183.490 3.606 8.679 519 HB2 GLN 31 HB2 GLN 31 185.064 4.713 10.995 520 HB3 GLN 31 HB1 GLN 31 183.375 5.127 10.738 521 HG2 GLN 31 HG2 GLN 31 182.813 2.723 10.831 522 HG3 GLN 31 HG1 GLN 31 184.502 2.375 11.200 523 HE21 GLN 31 HE21 GLN 31 185.326 2.910 13.210 524 HE22 GLN 31 HE22 GLN 31 184.312 3.314 14.549 525 H TRP 32 HN TRP 32 182.596 5.119 7.459 526 HA TRP 32 HA TRP 32 183.756 7.799 7.372 527 HB2 TRP 32 HB2 TRP 32 183.666 7.847 4.906 528 HB3 TRP 32 HB1 TRP 32 184.806 6.643 5.499 529 HD1 TRP 32 HD1 TRP 32 181.745 7.022 3.361 530 HE1 TRP 32 HE1 TRP 32 181.057 4.729 2.418 531 HE3 TRP 32 HE3 TRP 32 184.782 4.036 6.189 532 HZ2 TRP 32 HZ2 TRP 32 181.713 2.013 2.819 533 HZ3 TRP 32 HZ3 TRP 32 184.689 1.600 5.848 534 HH2 TRP 32 HH2 TRP 32 183.186 0.612 4.197 535 H ASP 33 HN ASP 33 182.267 9.387 7.197 536 HA ASP 33 HA ASP 33 179.557 8.821 7.663 537 HB2 ASP 33 HB2 ASP 33 180.822 11.381 6.662 538 HB3 ASP 33 HB1 ASP 33 179.192 11.238 7.314 539 H THR 34 HN THR 34 177.718 9.102 6.356 540 HA THR 34 HA THR 34 178.058 9.497 3.501 541 HB THR 34 HB THR 34 176.907 7.410 2.885 542 HG1 THR 34 HG1 THR 34 176.081 6.165 4.385 543 HG21 THR 34 HG21 THR 34 179.394 6.943 4.535 544 HG22 THR 34 HG22 THR 34 179.358 7.482 2.857 545 HG23 THR 34 HG23 THR 34 178.767 5.875 3.280 546 H ALA 35 HN ALA 35 175.731 8.967 2.462 547 HA ALA 35 HA ALA 35 173.766 10.352 4.169 548 HB1 ALA 35 HB1 ALA 35 172.802 11.285 2.129 549 HB2 ALA 35 HB2 ALA 35 174.015 10.445 1.163 550 HB3 ALA 35 HB3 ALA 35 174.505 11.718 2.281 551 H VAL 36 HN VAL 36 172.110 9.133 4.767 552 HA VAL 36 HA VAL 36 171.198 6.996 2.952 553 HB VAL 36 HB VAL 36 171.157 6.845 5.967 554 HG11 VAL 36 HG11 VAL 36 170.605 4.487 5.587 555 HG12 VAL 36 HG12 VAL 36 170.582 4.778 3.848 556 HG13 VAL 36 HG13 VAL 36 169.395 5.562 4.888 557 HG21 VAL 36 HG21 VAL 36 172.959 5.190 5.742 558 HG22 VAL 36 HG22 VAL 36 173.454 6.788 5.183 559 HG23 VAL 36 HG23 VAL 36 173.044 5.533 4.015 560 H PHE 37 HN PHE 37 169.117 7.086 2.410 561 HA PHE 37 HA PHE 37 167.213 8.403 4.199 562 HB2 PHE 37 HB2 PHE 37 166.239 9.689 2.344 563 HB3 PHE 37 HB1 PHE 37 167.917 10.141 2.627 564 HD1 PHE 37 HD1 PHE 37 165.617 8.386 0.369 565 HD2 PHE 37 HD2 PHE 37 169.605 9.741 0.982 566 HE1 PHE 37 HE1 PHE 37 166.122 7.960 -2.000 567 HE2 PHE 37 HE2 PHE 37 170.116 9.318 -1.386 568 HZ PHE 37 HZ PHE 37 168.374 8.426 -2.880 569 H HIS 38 HN HIS 38 165.039 7.770 3.896 570 HA HIS 38 HA HIS 38 164.713 5.075 3.081 571 HB2 HIS 38 HB2 HIS 38 163.383 6.063 4.890 572 HB3 HIS 38 HB1 HIS 38 162.622 7.160 3.743 573 HD1 HIS 38 HD1 HIS 38 160.519 6.357 2.681 574 HD2 HIS 38 HD2 HIS 38 162.715 3.252 4.357 575 HE1 HIS 38 HE1 HIS 38 159.064 4.316 2.476 576 HE2 HIS 38 HE2 HIS 38 160.411 2.448 3.496 577 H THR 39 HN THR 39 163.854 4.190 1.271 578 HA THR 39 HA THR 39 163.477 5.989 -1.008 579 HB THR 39 HB THR 39 163.683 3.976 -2.407 580 HG1 THR 39 HG1 THR 39 164.052 1.981 -1.461 581 HG21 THR 39 HG21 THR 39 165.869 4.247 -0.340 582 HG22 THR 39 HG22 THR 39 165.714 5.187 -1.825 583 HG23 THR 39 HG23 THR 39 166.037 3.455 -1.908 584 H THR 40 HN THR 40 161.898 4.677 -2.691 585 HA THR 40 HA THR 40 159.712 4.395 -3.255 586 HB THR 40 HB THR 40 158.429 2.768 -1.999 587 HG1 THR 40 HG1 THR 40 158.908 3.472 0.120 588 HG21 THR 40 HG21 THR 40 160.242 1.917 -3.403 589 HG22 THR 40 HG22 THR 40 160.018 0.902 -1.979 590 HG23 THR 40 HG23 THR 40 161.361 2.042 -2.045 591 H1 ALA 1 HT1 ALA 1 175.896 4.703 -14.147 592 H2 ALA 1 HT2 ALA 1 175.315 4.552 -15.728 593 H3 ALA 1 HT3 ALA 1 176.539 3.525 -15.177 594 HA ALA 1 HA ALA 1 173.762 3.608 -14.152 595 HB1 ALA 1 HB1 ALA 1 173.489 1.439 -15.222 596 HB2 ALA 1 HB2 ALA 1 175.135 1.526 -15.848 597 HB3 ALA 1 HB3 ALA 1 173.917 2.672 -16.409 598 HA PRO 2 HA PRO 2 175.345 1.598 -10.558 599 HB2 PRO 2 HB2 PRO 2 173.201 0.109 -9.816 600 HB3 PRO 2 HB1 PRO 2 173.253 1.869 -9.636 601 HG2 PRO 2 HG2 PRO 2 171.941 0.239 -11.764 602 HG3 PRO 2 HG1 PRO 2 171.341 1.682 -10.920 603 HD2 PRO 2 HD2 PRO 2 172.403 1.789 -13.406 604 HD3 PRO 2 HD1 PRO 2 172.539 3.124 -12.244 605 H VAL 3 HN VAL 3 176.769 -0.012 -10.484 606 HA VAL 3 HA VAL 3 176.037 -2.602 -11.681 607 HB VAL 3 HB VAL 3 178.389 -2.924 -12.346 608 HG11 VAL 3 HG11 VAL 3 177.114 -0.435 -13.477 609 HG12 VAL 3 HG12 VAL 3 176.787 -2.094 -13.978 610 HG13 VAL 3 HG13 VAL 3 178.379 -1.386 -14.257 611 HG21 VAL 3 HG21 VAL 3 178.722 -0.043 -11.508 612 HG22 VAL 3 HG22 VAL 3 179.922 -1.005 -12.372 613 HG23 VAL 3 HG23 VAL 3 179.453 -1.447 -10.730 614 HA PRO 4 HA PRO 4 177.114 -4.245 -7.714 615 HB2 PRO 4 HB2 PRO 4 177.532 -6.835 -8.375 616 HB3 PRO 4 HB1 PRO 4 175.917 -6.111 -8.348 617 HG2 PRO 4 HG2 PRO 4 177.698 -6.635 -10.684 618 HG3 PRO 4 HG1 PRO 4 175.947 -6.879 -10.527 619 HD2 PRO 4 HD2 PRO 4 177.020 -4.730 -11.784 620 HD3 PRO 4 HD1 PRO 4 175.464 -4.676 -10.933 621 H VAL 5 HN VAL 5 178.902 -4.683 -6.488 622 HA VAL 5 HA VAL 5 181.472 -4.397 -7.791 623 HB VAL 5 HB VAL 5 180.872 -4.735 -4.849 624 HG11 VAL 5 HG11 VAL 5 183.179 -5.251 -5.423 625 HG12 VAL 5 HG12 VAL 5 183.088 -3.734 -4.527 626 HG13 VAL 5 HG13 VAL 5 183.327 -3.714 -6.274 627 HG21 VAL 5 HG21 VAL 5 181.249 -2.212 -6.460 628 HG22 VAL 5 HG22 VAL 5 181.090 -2.298 -4.706 629 HG23 VAL 5 HG23 VAL 5 179.740 -2.771 -5.738 630 H THR 6 HN THR 6 183.007 -5.937 -8.026 631 HA THR 6 HA THR 6 182.241 -8.681 -7.328 632 HB THR 6 HB THR 6 183.961 -9.390 -8.943 633 HG1 THR 6 HG1 THR 6 184.273 -6.596 -9.433 634 HG21 THR 6 HG21 THR 6 182.043 -7.336 -10.050 635 HG22 THR 6 HG22 THR 6 181.674 -9.030 -9.729 636 HG23 THR 6 HG23 THR 6 182.842 -8.604 -10.979 637 H LYS 7 HN LYS 7 184.725 -6.270 -6.826 638 HA LYS 7 HA LYS 7 185.814 -7.879 -4.653 639 HB2 LYS 7 HB2 LYS 7 187.211 -8.463 -6.575 640 HB3 LYS 7 HB1 LYS 7 187.521 -6.761 -6.886 641 HG2 LYS 7 HG2 LYS 7 188.740 -6.553 -4.825 642 HG3 LYS 7 HG1 LYS 7 188.326 -8.207 -4.372 643 HD2 LYS 7 HD2 LYS 7 190.604 -8.080 -5.241 644 HD3 LYS 7 HD1 LYS 7 189.577 -9.049 -6.298 645 HE2 LYS 7 HE2 LYS 7 189.298 -7.121 -7.784 646 HE3 LYS 7 HE1 LYS 7 190.335 -6.162 -6.730 647 HZ1 LYS 7 HZ1 LYS 7 191.556 -7.018 -8.627 648 HZ2 LYS 7 HZ2 LYS 7 191.157 -8.606 -8.204 649 HZ3 LYS 7 HZ3 LYS 7 192.153 -7.687 -7.191 650 H LEU 8 HN LEU 8 185.807 -6.618 -2.924 651 HA LEU 8 HA LEU 8 186.381 -3.746 -3.267 652 HB2 LEU 8 HB2 LEU 8 183.990 -4.443 -2.644 653 HB3 LEU 8 HB1 LEU 8 184.654 -4.884 -1.084 654 HG LEU 8 HG LEU 8 183.624 -2.673 -1.017 655 HD11 LEU 8 HD11 LEU 8 186.614 -2.391 -0.825 656 HD12 LEU 8 HD12 LEU 8 185.627 -3.217 0.379 657 HD13 LEU 8 HD13 LEU 8 185.384 -1.498 0.069 658 HD21 LEU 8 HD21 LEU 8 185.700 -1.896 -3.060 659 HD22 LEU 8 HD22 LEU 8 184.560 -0.809 -2.267 660 HD23 LEU 8 HD23 LEU 8 183.971 -2.062 -3.360 661 H VAL 9 HN VAL 9 188.324 -3.308 -2.466 662 HA VAL 9 HA VAL 9 189.127 -4.613 0.053 663 HB VAL 9 HB VAL 9 191.478 -4.393 -0.683 664 HG11 VAL 9 HG11 VAL 9 190.348 -6.511 -0.972 665 HG12 VAL 9 HG12 VAL 9 191.427 -6.222 -2.336 666 HG13 VAL 9 HG13 VAL 9 189.690 -5.980 -2.520 667 HG21 VAL 9 HG21 VAL 9 191.965 -3.938 -3.043 668 HG22 VAL 9 HG22 VAL 9 191.212 -2.552 -2.254 669 HG23 VAL 9 HG23 VAL 9 190.260 -3.584 -3.322 670 H CYS 10 HN CYS 10 190.901 -3.320 1.191 671 HA CYS 10 HA CYS 10 190.618 -0.434 0.814 672 HB2 CYS 10 HB2 CYS 10 188.896 -1.044 2.453 673 HB3 CYS 10 HB1 CYS 10 190.113 -1.834 3.448 674 HG CYS 10 HG CYS 10 189.073 1.171 3.714 675 H ASP 11 HN ASP 11 192.261 0.813 1.897 676 HA ASP 11 HA ASP 11 194.653 -0.775 2.567 677 HB2 ASP 11 HB2 ASP 11 194.526 1.902 1.161 678 HB3 ASP 11 HB1 ASP 11 196.005 1.065 1.623 679 H GLY 12 HN GLY 12 195.051 -0.635 4.672 680 HA2 GLY 12 HA2 GLY 12 194.026 1.436 6.331 681 HA3 GLY 12 HA1 GLY 12 195.171 0.194 6.814 682 H ASP 13 HN ASP 13 196.913 1.155 4.471 683 HA ASP 13 HA ASP 13 198.696 2.704 5.940 684 HB2 ASP 13 HB2 ASP 13 198.389 2.542 2.934 685 HB3 ASP 13 HB1 ASP 13 199.799 3.175 3.779 686 H THR 14 HN THR 14 196.912 3.911 3.097 687 HA THR 14 HA THR 14 197.061 6.607 4.208 688 HB THR 14 HB THR 14 196.241 7.346 1.992 689 HG1 THR 14 HG1 THR 14 196.301 5.598 0.339 690 HG21 THR 14 HG21 THR 14 198.258 6.751 0.726 691 HG22 THR 14 HG22 THR 14 198.611 5.475 1.891 692 HG23 THR 14 HG23 THR 14 198.645 7.164 2.397 693 H TYR 15 HN TYR 15 195.051 4.211 4.783 694 HA TYR 15 HA TYR 15 192.903 4.034 5.500 695 HB2 TYR 15 HB2 TYR 15 192.873 7.056 5.427 696 HB3 TYR 15 HB1 TYR 15 191.810 6.009 6.362 697 HD1 TYR 15 HD1 TYR 15 194.752 7.950 6.443 698 HD2 TYR 15 HD2 TYR 15 193.013 4.428 8.074 699 HE1 TYR 15 HE1 TYR 15 196.323 8.056 8.332 700 HE2 TYR 15 HE2 TYR 15 194.577 4.524 9.967 701 HH TYR 15 HH TYR 15 196.783 5.478 10.488 702 H LYS 16 HN LYS 16 193.565 4.309 2.585 703 HA LYS 16 HA LYS 16 191.115 5.483 1.520 704 HB2 LYS 16 HB2 LYS 16 192.119 5.146 -0.674 705 HB3 LYS 16 HB1 LYS 16 193.242 5.981 0.390 706 HG2 LYS 16 HG2 LYS 16 194.463 3.917 0.760 707 HG3 LYS 16 HG1 LYS 16 193.312 3.039 -0.249 708 HD2 LYS 16 HD2 LYS 16 193.954 4.378 -2.177 709 HD3 LYS 16 HD1 LYS 16 195.069 5.311 -1.177 710 HE2 LYS 16 HE2 LYS 16 196.353 3.274 -0.724 711 HE3 LYS 16 HE1 LYS 16 195.241 2.351 -1.733 712 HZ1 LYS 16 HZ1 LYS 16 196.968 4.584 -2.658 713 HZ2 LYS 16 HZ2 LYS 16 195.901 3.700 -3.628 714 HZ3 LYS 16 HZ3 LYS 16 197.246 2.938 -2.940 715 H CYS 17 HN CYS 17 189.739 4.301 0.073 716 HA CYS 17 HA CYS 17 189.824 1.382 0.453 717 HB2 CYS 17 HB2 CYS 17 188.096 2.344 1.905 718 HB3 CYS 17 HB1 CYS 17 187.364 3.144 0.518 719 HG CYS 17 HG CYS 17 187.179 0.339 -0.644 720 H THR 18 HN THR 18 190.219 0.504 -1.467 721 HA THR 18 HA THR 18 189.315 1.833 -3.900 722 HB THR 18 HB THR 18 191.025 -0.646 -3.608 723 HG1 THR 18 HG1 THR 18 191.875 1.454 -2.788 724 HG21 THR 18 HG21 THR 18 189.929 -0.502 -5.783 725 HG22 THR 18 HG22 THR 18 191.656 -0.182 -5.941 726 HG23 THR 18 HG23 THR 18 190.504 1.154 -5.979 727 H ALA 19 HN ALA 19 188.136 0.738 -5.539 728 HA ALA 19 HA ALA 19 186.780 -1.737 -4.779 729 HB1 ALA 19 HB1 ALA 19 185.243 0.701 -5.659 730 HB2 ALA 19 HB2 ALA 19 185.370 0.151 -3.989 731 HB3 ALA 19 HB3 ALA 19 184.582 -0.866 -5.196 732 H TYR 20 HN TYR 20 186.030 -2.956 -6.514 733 HA TYR 20 HA TYR 20 186.887 -1.996 -9.165 734 HB2 TYR 20 HB2 TYR 20 186.792 -4.820 -8.087 735 HB3 TYR 20 HB1 TYR 20 187.177 -4.400 -9.752 736 HD1 TYR 20 HD1 TYR 20 188.304 -3.878 -6.246 737 HD2 TYR 20 HD2 TYR 20 189.379 -3.896 -10.363 738 HE1 TYR 20 HE1 TYR 20 190.670 -3.617 -5.624 739 HE2 TYR 20 HE2 TYR 20 191.747 -3.636 -9.752 740 HH TYR 20 HH TYR 20 193.081 -2.799 -7.866 741 H LEU 21 HN LEU 21 185.202 -1.421 -10.354 742 HA LEU 21 HA LEU 21 182.559 -2.426 -9.863 743 HB2 LEU 21 HB2 LEU 21 183.591 -0.702 -12.116 744 HB3 LEU 21 HB1 LEU 21 181.903 -0.991 -11.744 745 HG LEU 21 HG LEU 21 183.881 0.477 -10.000 746 HD11 LEU 21 HD11 LEU 21 183.179 1.752 -11.950 747 HD12 LEU 21 HD12 LEU 21 182.479 2.421 -10.476 748 HD13 LEU 21 HD13 LEU 21 181.487 1.443 -11.557 749 HD21 LEU 21 HD21 LEU 21 182.278 -0.785 -8.660 750 HD22 LEU 21 HD22 LEU 21 180.946 -0.072 -9.570 751 HD23 LEU 21 HD23 LEU 21 181.968 0.948 -8.557 752 H ASP 22 HN ASP 22 181.218 -3.480 -11.444 753 HA ASP 22 HA ASP 22 182.728 -5.436 -13.010 754 HB2 ASP 22 HB2 ASP 22 181.029 -6.251 -11.398 755 HB3 ASP 22 HB1 ASP 22 179.785 -5.388 -12.299 756 H TYR 23 HN TYR 23 182.078 -2.547 -13.762 757 HA TYR 23 HA TYR 23 180.282 -2.739 -15.990 758 HB2 TYR 23 HB2 TYR 23 180.540 -0.641 -14.745 759 HB3 TYR 23 HB1 TYR 23 182.234 -0.560 -15.215 760 HD1 TYR 23 HD1 TYR 23 182.864 0.012 -17.507 761 HD2 TYR 23 HD2 TYR 23 178.784 -0.078 -16.305 762 HE1 TYR 23 HE1 TYR 23 182.246 1.264 -19.530 763 HE2 TYR 23 HE2 TYR 23 178.155 1.172 -18.325 764 HH TYR 23 HH TYR 23 180.265 1.621 -20.943 765 H GLY 24 HN GLY 24 180.773 -2.753 -18.173 766 HA2 GLY 24 HA2 GLY 24 181.963 -3.293 -20.058 767 HA3 GLY 24 HA1 GLY 24 183.325 -2.487 -19.295 768 H ASP 25 HN ASP 25 184.788 -3.715 -18.035 769 HA ASP 25 HA ASP 25 184.520 -6.630 -18.244 770 HB2 ASP 25 HB2 ASP 25 185.933 -5.892 -20.117 771 HB3 ASP 25 HB1 ASP 25 187.006 -5.069 -18.989 772 H GLY 26 HN GLY 26 186.342 -3.921 -16.838 773 HA2 GLY 26 HA2 GLY 26 186.084 -4.281 -14.233 774 HA3 GLY 26 HA1 GLY 26 187.168 -5.613 -14.604 775 H LYS 27 HN LYS 27 187.072 -2.310 -15.904 776 HA LYS 27 HA LYS 27 189.864 -1.995 -15.031 777 HB2 LYS 27 HB2 LYS 27 188.364 -0.591 -17.251 778 HB3 LYS 27 HB1 LYS 27 190.039 -0.287 -16.810 779 HG2 LYS 27 HG2 LYS 27 188.958 -2.916 -17.803 780 HG3 LYS 27 HG1 LYS 27 189.825 -1.731 -18.781 781 HD2 LYS 27 HD2 LYS 27 191.798 -1.989 -17.392 782 HD3 LYS 27 HD1 LYS 27 190.934 -3.103 -16.332 783 HE2 LYS 27 HE2 LYS 27 192.366 -4.322 -17.875 784 HE3 LYS 27 HE1 LYS 27 190.667 -4.666 -18.196 785 HZ1 LYS 27 HZ1 LYS 27 192.363 -2.759 -19.718 786 HZ2 LYS 27 HZ2 LYS 27 190.733 -3.088 -20.027 787 HZ3 LYS 27 HZ3 LYS 27 191.894 -4.299 -20.241 788 H TRP 28 HN TRP 28 186.674 -0.572 -14.961 789 HA TRP 28 HA TRP 28 187.475 1.923 -13.830 790 HB2 TRP 28 HB2 TRP 28 184.770 0.568 -13.823 791 HB3 TRP 28 HB1 TRP 28 185.072 2.249 -13.394 792 HD1 TRP 28 HD1 TRP 28 184.869 -0.083 -16.414 793 HE1 TRP 28 HE1 TRP 28 184.727 1.345 -18.551 794 HE3 TRP 28 HE3 TRP 28 185.722 4.525 -14.370 795 HZ2 TRP 28 HZ2 TRP 28 184.948 4.065 -19.274 796 HZ3 TRP 28 HZ3 TRP 28 185.742 6.488 -15.853 797 HH2 TRP 28 HH2 TRP 28 185.363 6.261 -18.254 798 H VAL 29 HN VAL 29 187.943 2.406 -11.784 799 HA VAL 29 HA VAL 29 187.010 0.615 -9.650 800 HB VAL 29 HB VAL 29 189.196 0.768 -8.525 801 HG11 VAL 29 HG11 VAL 29 188.690 -1.182 -9.888 802 HG12 VAL 29 HG12 VAL 29 190.405 -0.784 -9.990 803 HG13 VAL 29 HG13 VAL 29 189.322 -0.366 -11.317 804 HG21 VAL 29 HG21 VAL 29 191.159 1.554 -9.770 805 HG22 VAL 29 HG22 VAL 29 189.990 2.849 -9.510 806 HG23 VAL 29 HG23 VAL 29 190.108 2.071 -11.089 807 H ALA 30 HN ALA 30 186.577 1.588 -7.692 808 HA ALA 30 HA ALA 30 186.529 4.524 -7.744 809 HB1 ALA 30 HB1 ALA 30 184.781 4.385 -6.070 810 HB2 ALA 30 HB2 ALA 30 184.974 2.635 -5.981 811 HB3 ALA 30 HB3 ALA 30 184.369 3.381 -7.461 812 H GLN 31 HN GLN 31 187.067 5.709 -5.825 813 HA GLN 31 HA GLN 31 188.444 4.359 -3.679 814 HB2 GLN 31 HB2 GLN 31 189.921 6.052 -5.682 815 HB3 GLN 31 HB1 GLN 31 190.522 5.810 -4.048 816 HG2 GLN 31 HG2 GLN 31 190.518 3.373 -4.451 817 HG3 GLN 31 HG1 GLN 31 190.025 3.680 -6.115 818 HE21 GLN 31 HE21 GLN 31 191.493 4.558 -7.558 819 HE22 GLN 31 HE22 GLN 31 193.189 4.614 -7.235 820 H TRP 32 HN TRP 32 187.995 5.391 -1.860 821 HA TRP 32 HA TRP 32 187.770 8.304 -1.853 822 HB2 TRP 32 HB2 TRP 32 185.649 8.221 -0.593 823 HB3 TRP 32 HB1 TRP 32 185.481 7.540 -2.209 824 HD1 TRP 32 HD1 TRP 32 185.048 6.692 1.423 825 HE1 TRP 32 HE1 TRP 32 184.205 4.271 1.652 826 HE3 TRP 32 HE3 TRP 32 185.729 5.133 -3.399 827 HZ2 TRP 32 HZ2 TRP 32 183.875 2.001 0.009 828 HZ3 TRP 32 HZ3 TRP 32 185.125 2.821 -3.988 829 HH2 TRP 32 HH2 TRP 32 184.218 1.288 -2.317 830 H ASP 33 HN ASP 33 188.521 9.231 -0.024 831 HA ASP 33 HA ASP 33 190.082 7.732 1.764 832 HB2 ASP 33 HB2 ASP 33 188.991 10.537 2.080 833 HB3 ASP 33 HB1 ASP 33 190.285 9.833 3.046 834 H THR 34 HN THR 34 189.809 7.271 3.974 835 HA THR 34 HA THR 34 187.202 7.652 5.188 836 HB THR 34 HB THR 34 186.888 5.267 5.708 837 HG1 THR 34 HG1 THR 34 188.405 3.865 5.246 838 HG21 THR 34 HG21 THR 34 187.139 5.806 2.747 839 HG22 THR 34 HG22 THR 34 185.756 6.228 3.756 840 HG23 THR 34 HG23 THR 34 186.169 4.534 3.490 841 H ALA 35 HN ALA 35 187.272 6.269 7.392 842 HA ALA 35 HA ALA 35 189.862 6.905 8.646 843 HB1 ALA 35 HB1 ALA 35 188.641 7.341 10.714 844 HB2 ALA 35 HB2 ALA 35 187.120 6.966 9.904 845 HB3 ALA 35 HB3 ALA 35 188.060 8.372 9.406 846 H VAL 36 HN VAL 36 190.968 5.188 9.293 847 HA VAL 36 HA VAL 36 189.484 2.799 10.172 848 HB VAL 36 HB VAL 36 192.133 2.759 8.722 849 HG11 VAL 36 HG11 VAL 36 191.713 0.349 8.552 850 HG12 VAL 36 HG12 VAL 36 190.235 0.545 9.495 851 HG13 VAL 36 HG13 VAL 36 191.802 0.881 10.232 852 HG21 VAL 36 HG21 VAL 36 190.878 1.870 6.805 853 HG22 VAL 36 HG22 VAL 36 190.390 3.515 7.208 854 HG23 VAL 36 HG23 VAL 36 189.371 2.153 7.673 855 H PHE 37 HN PHE 37 189.967 2.100 12.150 856 HA PHE 37 HA PHE 37 192.592 2.698 13.293 857 HB2 PHE 37 HB2 PHE 37 191.588 3.467 15.400 858 HB3 PHE 37 HB1 PHE 37 191.139 4.512 14.057 859 HD1 PHE 37 HD1 PHE 37 189.950 1.952 16.402 860 HD2 PHE 37 HD2 PHE 37 188.867 4.693 13.332 861 HE1 PHE 37 HE1 PHE 37 187.576 1.648 16.973 862 HE2 PHE 37 HE2 PHE 37 186.493 4.395 13.898 863 HZ PHE 37 HZ PHE 37 185.845 2.871 15.721 864 H HIS 38 HN HIS 38 193.226 1.304 14.987 865 HA HIS 38 HA HIS 38 192.275 -1.353 14.726 866 HB2 HIS 38 HB2 HIS 38 194.610 -0.849 15.282 867 HB3 HIS 38 HB1 HIS 38 194.103 -0.153 16.816 868 HD1 HIS 38 HD1 HIS 38 194.012 -1.710 18.756 869 HD2 HIS 38 HD2 HIS 38 194.046 -3.729 15.124 870 HE1 HIS 38 HE1 HIS 38 194.203 -4.147 19.343 871 HE2 HIS 38 HE2 HIS 38 194.222 -5.352 17.130 872 H THR 39 HN THR 39 190.948 -2.561 15.984 873 HA THR 39 HA THR 39 189.372 -1.114 17.983 874 HB THR 39 HB THR 39 187.764 -2.965 17.799 875 HG1 THR 39 HG1 THR 39 188.143 -4.649 16.372 876 HG21 THR 39 HG21 THR 39 188.622 -1.833 15.134 877 HG22 THR 39 HG22 THR 39 187.522 -1.074 16.284 878 HG23 THR 39 HG23 THR 39 187.055 -2.569 15.473 879 H THR 40 HN THR 40 188.424 -2.976 19.621 880 HA THR 40 HA THR 40 188.884 -4.057 21.568 881 HB THR 40 HB THR 40 190.341 -5.990 21.463 882 HG1 THR 40 HG1 THR 40 192.085 -5.078 20.306 883 HG21 THR 40 HG21 THR 40 188.160 -6.174 20.371 884 HG22 THR 40 HG22 THR 40 189.369 -7.146 19.532 885 HG23 THR 40 HG23 THR 40 188.862 -5.597 18.859 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 173.500 0.988 14.964 2 H2 ALA 1 HT2 ALA 1 172.057 1.209 15.818 3 H3 ALA 1 HT3 ALA 1 172.151 1.653 14.188 4 HA ALA 1 HA ALA 1 172.365 -1.105 15.245 5 HB1 ALA 1 HB1 ALA 1 170.101 -0.192 15.417 6 HB2 ALA 1 HB2 ALA 1 170.193 -1.483 14.219 7 HB3 ALA 1 HB3 ALA 1 170.131 0.201 13.697 8 HA PRO 2 HA PRO 2 174.558 -1.126 11.229 9 HB2 PRO 2 HB2 PRO 2 176.051 -3.322 11.770 10 HB3 PRO 2 HB1 PRO 2 176.491 -1.705 12.340 11 HG2 PRO 2 HG2 PRO 2 175.147 -3.916 13.826 12 HG3 PRO 2 HG1 PRO 2 176.427 -2.813 14.368 13 HD2 PRO 2 HD2 PRO 2 173.825 -2.466 15.034 14 HD3 PRO 2 HD1 PRO 2 174.957 -1.113 14.831 15 H VAL 3 HN VAL 3 173.999 -2.211 9.418 16 HA VAL 3 HA VAL 3 172.676 -4.816 9.686 17 HB VAL 3 HB VAL 3 170.997 -4.166 8.001 18 HG11 VAL 3 HG11 VAL 3 171.038 -2.416 10.457 19 HG12 VAL 3 HG12 VAL 3 170.429 -4.068 10.365 20 HG13 VAL 3 HG13 VAL 3 169.617 -2.778 9.477 21 HG21 VAL 3 HG21 VAL 3 172.199 -1.420 8.339 22 HG22 VAL 3 HG22 VAL 3 170.661 -1.748 7.541 23 HG23 VAL 3 HG23 VAL 3 172.158 -2.390 6.867 24 HA PRO 4 HA PRO 4 175.683 -5.867 6.551 25 HB2 PRO 4 HB2 PRO 4 173.758 -8.058 5.984 26 HB3 PRO 4 HB1 PRO 4 175.484 -8.144 6.361 27 HG2 PRO 4 HG2 PRO 4 173.672 -8.850 8.170 28 HG3 PRO 4 HG1 PRO 4 175.151 -7.985 8.637 29 HD2 PRO 4 HD2 PRO 4 172.366 -6.951 8.372 30 HD3 PRO 4 HD1 PRO 4 173.622 -6.533 9.555 31 H VAL 5 HN VAL 5 175.892 -5.569 4.373 32 HA VAL 5 HA VAL 5 173.612 -4.425 2.992 33 HB VAL 5 HB VAL 5 176.449 -4.774 2.012 34 HG11 VAL 5 HG11 VAL 5 174.829 -4.477 0.210 35 HG12 VAL 5 HG12 VAL 5 175.861 -3.058 0.374 36 HG13 VAL 5 HG13 VAL 5 174.212 -3.024 0.996 37 HG21 VAL 5 HG21 VAL 5 176.761 -2.425 2.608 38 HG22 VAL 5 HG22 VAL 5 176.362 -3.395 4.026 39 HG23 VAL 5 HG23 VAL 5 175.132 -2.375 3.281 40 H THR 6 HN THR 6 172.584 -5.271 1.234 41 HA THR 6 HA THR 6 173.241 -8.062 0.574 42 HB THR 6 HB THR 6 170.930 -8.256 -0.252 43 HG1 THR 6 HG1 THR 6 169.510 -6.434 0.352 44 HG21 THR 6 HG21 THR 6 171.408 -8.817 2.081 45 HG22 THR 6 HG22 THR 6 169.794 -8.127 1.917 46 HG23 THR 6 HG23 THR 6 171.112 -7.143 2.550 47 H LYS 7 HN LYS 7 172.471 -4.920 -0.833 48 HA LYS 7 HA LYS 7 173.594 -5.869 -3.382 49 HB2 LYS 7 HB2 LYS 7 171.140 -5.713 -3.561 50 HB3 LYS 7 HB1 LYS 7 171.216 -4.029 -3.064 51 HG2 LYS 7 HG2 LYS 7 172.484 -3.481 -5.068 52 HG3 LYS 7 HG1 LYS 7 172.446 -5.175 -5.562 53 HD2 LYS 7 HD2 LYS 7 170.002 -5.085 -5.674 54 HD3 LYS 7 HD1 LYS 7 170.041 -3.391 -5.180 55 HE2 LYS 7 HE2 LYS 7 171.299 -2.826 -7.193 56 HE3 LYS 7 HE1 LYS 7 171.291 -4.520 -7.682 57 HZ1 LYS 7 HZ1 LYS 7 169.578 -3.266 -8.827 58 HZ2 LYS 7 HZ2 LYS 7 168.889 -2.803 -7.354 59 HZ3 LYS 7 HZ3 LYS 7 168.879 -4.431 -7.818 60 H LEU 8 HN LEU 8 175.379 -4.771 -3.836 61 HA LEU 8 HA LEU 8 175.509 -1.925 -3.078 62 HB2 LEU 8 HB2 LEU 8 176.931 -3.601 -1.720 63 HB3 LEU 8 HB1 LEU 8 177.923 -3.710 -3.161 64 HG LEU 8 HG LEU 8 178.903 -2.152 -1.586 65 HD11 LEU 8 HD11 LEU 8 177.705 -0.611 -3.878 66 HD12 LEU 8 HD12 LEU 8 179.074 -1.712 -4.027 67 HD13 LEU 8 HD13 LEU 8 179.209 -0.267 -3.025 68 HD21 LEU 8 HD21 LEU 8 177.758 -0.094 -0.946 69 HD22 LEU 8 HD22 LEU 8 176.870 -1.515 -0.397 70 HD23 LEU 8 HD23 LEU 8 176.315 -0.621 -1.812 71 H VAL 9 HN VAL 9 175.387 -0.802 -4.907 72 HA VAL 9 HA VAL 9 177.110 -1.615 -7.153 73 HB VAL 9 HB VAL 9 175.399 -0.773 -8.727 74 HG11 VAL 9 HG11 VAL 9 174.451 -2.976 -6.898 75 HG12 VAL 9 HG12 VAL 9 175.546 -3.155 -8.268 76 HG13 VAL 9 HG13 VAL 9 173.870 -2.680 -8.537 77 HG21 VAL 9 HG21 VAL 9 173.105 -0.411 -7.939 78 HG22 VAL 9 HG22 VAL 9 174.227 0.750 -7.231 79 HG23 VAL 9 HG23 VAL 9 173.650 -0.613 -6.274 80 H CYS 10 HN CYS 10 178.221 -0.004 -8.165 81 HA CYS 10 HA CYS 10 177.961 2.681 -6.993 82 HB2 CYS 10 HB2 CYS 10 180.144 1.613 -6.649 83 HB3 CYS 10 HB1 CYS 10 180.324 1.404 -8.387 84 HG CYS 10 HG CYS 10 181.578 3.743 -6.736 85 H ASP 11 HN ASP 11 178.148 4.525 -8.355 86 HA ASP 11 HA ASP 11 177.375 3.989 -11.148 87 HB2 ASP 11 HB2 ASP 11 176.657 6.357 -9.404 88 HB3 ASP 11 HB1 ASP 11 176.186 6.151 -11.088 89 H GLY 12 HN GLY 12 179.020 4.353 -12.481 90 HA2 GLY 12 HA2 GLY 12 181.254 5.985 -11.806 91 HA3 GLY 12 HA1 GLY 12 180.940 5.254 -13.372 92 H ASP 13 HN ASP 13 178.223 6.655 -13.321 93 HA ASP 13 HA ASP 13 178.862 8.810 -14.952 94 HB2 ASP 13 HB2 ASP 13 176.372 8.397 -13.284 95 HB3 ASP 13 HB1 ASP 13 176.523 9.542 -14.614 96 H THR 14 HN THR 14 177.401 9.165 -11.719 97 HA THR 14 HA THR 14 178.729 11.762 -11.474 98 HB THR 14 HB THR 14 177.210 12.157 -9.573 99 HG1 THR 14 HG1 THR 14 176.089 9.630 -10.272 100 HG21 THR 14 HG21 THR 14 175.123 12.283 -10.856 101 HG22 THR 14 HG22 THR 14 175.808 11.208 -12.074 102 HG23 THR 14 HG23 THR 14 176.502 12.809 -11.821 103 H TYR 15 HN TYR 15 179.782 8.855 -10.916 104 HA TYR 15 HA TYR 15 181.266 7.880 -9.499 105 HB2 TYR 15 HB2 TYR 15 181.675 10.695 -8.470 106 HB3 TYR 15 HB1 TYR 15 182.781 9.341 -8.273 107 HD1 TYR 15 HD1 TYR 15 183.622 8.247 -10.504 108 HD2 TYR 15 HD2 TYR 15 182.003 12.170 -10.225 109 HE1 TYR 15 HE1 TYR 15 184.746 8.852 -12.605 110 HE2 TYR 15 HE2 TYR 15 183.120 12.788 -12.327 111 HH TYR 15 HH TYR 15 185.044 12.059 -13.672 112 H LYS 16 HN LYS 16 178.436 8.303 -8.664 113 HA LYS 16 HA LYS 16 178.679 8.477 -5.757 114 HB2 LYS 16 HB2 LYS 16 176.236 8.509 -5.742 115 HB3 LYS 16 HB1 LYS 16 176.868 9.736 -6.831 116 HG2 LYS 16 HG2 LYS 16 176.426 8.246 -8.735 117 HG3 LYS 16 HG1 LYS 16 175.737 7.060 -7.624 118 HD2 LYS 16 HD2 LYS 16 174.033 8.682 -6.950 119 HD3 LYS 16 HD1 LYS 16 174.723 9.872 -8.055 120 HE2 LYS 16 HE2 LYS 16 174.237 8.393 -9.944 121 HE3 LYS 16 HE1 LYS 16 173.545 7.207 -8.838 122 HZ1 LYS 16 HZ1 LYS 16 171.830 8.541 -9.884 123 HZ2 LYS 16 HZ2 LYS 16 172.525 9.961 -9.282 124 HZ3 LYS 16 HZ3 LYS 16 171.862 8.827 -8.216 125 H CYS 17 HN CYS 17 178.431 6.781 -4.404 126 HA CYS 17 HA CYS 17 178.064 4.139 -5.646 127 HB2 CYS 17 HB2 CYS 17 180.233 4.459 -4.545 128 HB3 CYS 17 HB1 CYS 17 179.418 4.870 -3.040 129 HG CYS 17 HG CYS 17 178.185 2.263 -2.916 130 H THR 18 HN THR 18 176.018 3.489 -5.453 131 HA THR 18 HA THR 18 174.444 4.232 -3.121 132 HB THR 18 HB THR 18 173.617 2.624 -5.547 133 HG1 THR 18 HG1 THR 18 174.258 4.890 -5.902 134 HG21 THR 18 HG21 THR 18 172.176 2.234 -3.615 135 HG22 THR 18 HG22 THR 18 171.330 3.187 -4.835 136 HG23 THR 18 HG23 THR 18 171.979 3.973 -3.395 137 H ALA 19 HN ALA 19 173.341 2.691 -1.815 138 HA ALA 19 HA ALA 19 174.195 -0.089 -1.980 139 HB1 ALA 19 HB1 ALA 19 175.033 -0.189 0.270 140 HB2 ALA 19 HB2 ALA 19 174.632 1.508 0.538 141 HB3 ALA 19 HB3 ALA 19 175.904 1.073 -0.603 142 H TYR 20 HN TYR 20 172.763 -1.524 -1.074 143 HA TYR 20 HA TYR 20 170.250 -0.352 -0.101 144 HB2 TYR 20 HB2 TYR 20 170.807 -3.038 -1.376 145 HB3 TYR 20 HB1 TYR 20 169.239 -2.545 -0.744 146 HD1 TYR 20 HD1 TYR 20 171.779 -1.824 -3.334 147 HD2 TYR 20 HD2 TYR 20 167.794 -1.147 -2.006 148 HE1 TYR 20 HE1 TYR 20 171.240 -0.792 -5.499 149 HE2 TYR 20 HE2 TYR 20 167.244 -0.113 -4.168 150 HH TYR 20 HH TYR 20 168.409 0.998 -6.029 151 H LEU 21 HN LEU 21 169.916 -0.455 2.006 152 HA LEU 21 HA LEU 21 171.405 -2.329 3.647 153 HB2 LEU 21 HB2 LEU 21 169.426 -0.186 4.428 154 HB3 LEU 21 HB1 LEU 21 170.423 -1.107 5.539 155 HG LEU 21 HG LEU 21 171.431 0.837 3.461 156 HD11 LEU 21 HD11 LEU 21 171.327 1.018 6.468 157 HD12 LEU 21 HD12 LEU 21 170.335 1.937 5.336 158 HD13 LEU 21 HD13 LEU 21 172.080 2.193 5.388 159 HD21 LEU 21 HD21 LEU 21 172.983 -1.014 3.801 160 HD22 LEU 21 HD22 LEU 21 172.928 -0.749 5.544 161 HD23 LEU 21 HD23 LEU 21 173.619 0.481 4.485 162 H ASP 22 HN ASP 22 170.353 -3.649 5.275 163 HA ASP 22 HA ASP 22 167.886 -4.831 4.239 164 HB2 ASP 22 HB2 ASP 22 169.834 -6.304 4.671 165 HB3 ASP 22 HB1 ASP 22 169.770 -5.859 6.374 166 H TYR 23 HN TYR 23 168.178 -2.296 5.930 167 HA TYR 23 HA TYR 23 166.858 -2.982 8.406 168 HB2 TYR 23 HB2 TYR 23 168.467 -1.141 8.360 169 HB3 TYR 23 HB1 TYR 23 167.490 -0.295 7.165 170 HD1 TYR 23 HD1 TYR 23 167.683 -1.339 10.691 171 HD2 TYR 23 HD2 TYR 23 165.539 0.940 7.808 172 HE1 TYR 23 HE1 TYR 23 166.448 -0.223 12.501 173 HE2 TYR 23 HE2 TYR 23 164.300 2.063 9.610 174 HH TYR 23 HH TYR 23 165.215 1.866 12.873 175 H GLY 24 HN GLY 24 164.729 -2.766 8.889 176 HA2 GLY 24 HA2 GLY 24 162.473 -2.459 8.583 177 HA3 GLY 24 HA1 GLY 24 162.881 -1.229 7.397 178 H ASP 25 HN ASP 25 161.518 -1.708 5.763 179 HA ASP 25 HA ASP 25 160.933 -4.377 4.946 180 HB2 ASP 25 HB2 ASP 25 160.448 -1.750 3.523 181 HB3 ASP 25 HB1 ASP 25 159.755 -3.301 3.059 182 H GLY 26 HN GLY 26 163.298 -1.986 4.030 183 HA2 GLY 26 HA2 GLY 26 165.366 -2.846 3.047 184 HA3 GLY 26 HA1 GLY 26 164.372 -3.905 2.058 185 H LYS 27 HN LYS 27 163.528 -0.567 2.642 186 HA LYS 27 HA LYS 27 163.887 -0.038 -0.218 187 HB2 LYS 27 HB2 LYS 27 162.321 1.480 1.876 188 HB3 LYS 27 HB1 LYS 27 162.405 1.904 0.172 189 HG2 LYS 27 HG2 LYS 27 161.347 -0.222 -0.409 190 HG3 LYS 27 HG1 LYS 27 161.261 -0.643 1.302 191 HD2 LYS 27 HD2 LYS 27 159.830 1.297 1.712 192 HD3 LYS 27 HD1 LYS 27 159.928 1.734 0.004 193 HE2 LYS 27 HE2 LYS 27 158.749 -0.809 1.121 194 HE3 LYS 27 HE1 LYS 27 157.839 0.570 0.507 195 HZ1 LYS 27 HZ1 LYS 27 158.824 0.201 -1.671 196 HZ2 LYS 27 HZ2 LYS 27 158.004 -1.181 -1.144 197 HZ3 LYS 27 HZ3 LYS 27 159.693 -1.124 -1.079 198 H TRP 28 HN TRP 28 164.952 0.979 2.942 199 HA TRP 28 HA TRP 28 166.101 3.446 2.311 200 HB2 TRP 28 HB2 TRP 28 167.041 1.405 4.338 201 HB3 TRP 28 HB1 TRP 28 167.506 3.103 4.305 202 HD1 TRP 28 HD1 TRP 28 164.529 0.830 5.115 203 HE1 TRP 28 HE1 TRP 28 162.837 2.167 6.520 204 HE3 TRP 28 HE3 TRP 28 166.692 5.453 4.808 205 HZ2 TRP 28 HZ2 TRP 28 162.468 4.830 7.384 206 HZ3 TRP 28 HZ3 TRP 28 165.606 7.341 5.952 207 HH2 TRP 28 HH2 TRP 28 163.537 7.035 7.213 208 H VAL 29 HN VAL 29 168.133 4.073 1.628 209 HA VAL 29 HA VAL 29 170.075 2.025 0.901 210 HB VAL 29 HB VAL 29 170.337 2.886 -1.389 211 HG11 VAL 29 HG11 VAL 29 167.549 1.928 -0.751 212 HG12 VAL 29 HG12 VAL 29 168.968 0.912 -1.009 213 HG13 VAL 29 HG13 VAL 29 168.318 1.872 -2.338 214 HG21 VAL 29 HG21 VAL 29 167.849 4.480 -0.779 215 HG22 VAL 29 HG22 VAL 29 168.603 4.322 -2.365 216 HG23 VAL 29 HG23 VAL 29 169.463 5.135 -1.057 217 H ALA 30 HN ALA 30 172.175 2.752 0.827 218 HA ALA 30 HA ALA 30 172.598 5.452 1.870 219 HB1 ALA 30 HB1 ALA 30 173.603 3.582 3.095 220 HB2 ALA 30 HB2 ALA 30 174.829 4.684 2.468 221 HB3 ALA 30 HB3 ALA 30 174.530 3.145 1.660 222 H GLN 31 HN GLN 31 174.310 6.788 1.010 223 HA GLN 31 HA GLN 31 175.391 6.162 -1.589 224 HB2 GLN 31 HB2 GLN 31 173.307 8.312 -1.236 225 HB3 GLN 31 HB1 GLN 31 174.428 8.292 -2.590 226 HG2 GLN 31 HG2 GLN 31 173.574 6.056 -3.208 227 HG3 GLN 31 HG1 GLN 31 172.388 6.186 -1.910 228 HE21 GLN 31 HE21 GLN 31 170.676 7.617 -2.119 229 HE22 GLN 31 HE22 GLN 31 170.241 8.322 -3.635 230 H TRP 32 HN TRP 32 177.355 7.007 -1.747 231 HA TRP 32 HA TRP 32 177.970 9.546 -0.449 232 HB2 TRP 32 HB2 TRP 32 180.005 8.621 0.602 233 HB3 TRP 32 HB1 TRP 32 178.539 7.888 1.246 234 HD1 TRP 32 HD1 TRP 32 181.748 7.048 -0.541 235 HE1 TRP 32 HE1 TRP 32 181.904 4.500 -0.871 236 HE3 TRP 32 HE3 TRP 32 176.989 5.759 0.814 237 HZ2 TRP 32 HZ2 TRP 32 180.231 2.243 -0.594 238 HZ3 TRP 32 HZ3 TRP 32 176.347 3.385 0.753 239 HH2 TRP 32 HH2 TRP 32 177.936 1.664 0.062 240 H ASP 33 HN ASP 33 179.244 10.784 -1.678 241 HA ASP 33 HA ASP 33 179.938 10.069 -4.288 242 HB2 ASP 33 HB2 ASP 33 181.081 12.279 -2.567 243 HB3 ASP 33 HB1 ASP 33 181.252 12.161 -4.316 244 H THR 34 HN THR 34 181.846 9.466 -5.266 245 HA THR 34 HA THR 34 184.172 8.933 -3.575 246 HB THR 34 HB THR 34 184.459 6.676 -4.497 247 HG1 THR 34 HG1 THR 34 183.237 6.003 -6.089 248 HG21 THR 34 HG21 THR 34 181.763 7.086 -3.198 249 HG22 THR 34 HG22 THR 34 183.305 6.922 -2.357 250 HG23 THR 34 HG23 THR 34 182.650 5.563 -3.271 251 H ALA 35 HN ALA 35 185.919 7.850 -5.185 252 HA ALA 35 HA ALA 35 185.979 9.565 -7.581 253 HB1 ALA 35 HB1 ALA 35 188.316 8.694 -5.884 254 HB2 ALA 35 HB2 ALA 35 187.588 10.300 -5.893 255 HB3 ALA 35 HB3 ALA 35 188.403 9.693 -7.334 256 H VAL 36 HN VAL 36 185.858 8.440 -9.401 257 HA VAL 36 HA VAL 36 187.088 5.763 -9.488 258 HB VAL 36 HB VAL 36 184.625 6.601 -11.020 259 HG11 VAL 36 HG11 VAL 36 185.934 3.910 -10.644 260 HG12 VAL 36 HG12 VAL 36 185.938 4.874 -12.121 261 HG13 VAL 36 HG13 VAL 36 184.425 4.207 -11.507 262 HG21 VAL 36 HG21 VAL 36 184.837 4.902 -8.537 263 HG22 VAL 36 HG22 VAL 36 183.373 5.153 -9.486 264 HG23 VAL 36 HG23 VAL 36 184.120 6.509 -8.643 265 H PHE 37 HN PHE 37 188.451 5.361 -11.135 266 HA PHE 37 HA PHE 37 188.391 6.997 -13.534 267 HB2 PHE 37 HB2 PHE 37 190.750 7.637 -13.371 268 HB3 PHE 37 HB1 PHE 37 189.829 8.289 -12.020 269 HD1 PHE 37 HD1 PHE 37 192.364 5.854 -13.039 270 HD2 PHE 37 HD2 PHE 37 190.206 7.521 -9.770 271 HE1 PHE 37 HE1 PHE 37 193.956 4.827 -11.470 272 HE2 PHE 37 HE2 PHE 37 191.795 6.497 -8.196 273 HZ PHE 37 HZ PHE 37 193.672 5.149 -9.045 274 H HIS 38 HN HIS 38 190.124 6.233 -15.108 275 HA HIS 38 HA HIS 38 190.048 3.324 -15.144 276 HB2 HIS 38 HB2 HIS 38 189.365 4.554 -17.158 277 HB3 HIS 38 HB1 HIS 38 190.958 5.295 -17.252 278 HD1 HIS 38 HD1 HIS 38 192.777 3.988 -18.406 279 HD2 HIS 38 HD2 HIS 38 189.347 1.738 -17.745 280 HE1 HIS 38 HE1 HIS 38 193.123 1.844 -19.676 281 HE2 HIS 38 HE2 HIS 38 191.034 0.498 -19.262 282 H THR 39 HN THR 39 191.779 2.010 -14.963 283 HA THR 39 HA THR 39 194.337 3.274 -14.280 284 HB THR 39 HB THR 39 194.953 1.106 -13.289 285 HG1 THR 39 HG1 THR 39 193.852 -0.476 -14.249 286 HG21 THR 39 HG21 THR 39 193.842 2.772 -11.889 287 HG22 THR 39 HG22 THR 39 193.372 1.141 -11.413 288 HG23 THR 39 HG23 THR 39 192.267 2.136 -12.363 289 H THR 40 HN THR 40 196.255 1.662 -14.804 290 HA THR 40 HA THR 40 195.964 0.486 -17.460 291 HB THR 40 HB THR 40 197.943 1.665 -18.333 292 HG1 THR 40 HG1 THR 40 197.711 3.266 -15.983 293 HG21 THR 40 HG21 THR 40 196.888 3.851 -18.693 294 HG22 THR 40 HG22 THR 40 195.755 3.519 -17.383 295 HG23 THR 40 HG23 THR 40 195.719 2.540 -18.849 296 H1 ALA 1 HT1 ALA 1 198.140 -1.502 0.564 297 H2 ALA 1 HT2 ALA 1 199.577 -1.799 1.405 298 H3 ALA 1 HT3 ALA 1 198.165 -1.418 2.253 299 HA ALA 1 HA ALA 1 198.601 -3.855 0.628 300 HB1 ALA 1 HB1 ALA 1 199.912 -3.840 2.696 301 HB2 ALA 1 HB2 ALA 1 198.631 -5.052 2.743 302 HB3 ALA 1 HB3 ALA 1 198.442 -3.535 3.621 303 HA PRO 2 HA PRO 2 194.073 -3.223 0.747 304 HB2 PRO 2 HB2 PRO 2 193.557 -4.684 -1.476 305 HB3 PRO 2 HB1 PRO 2 194.090 -2.998 -1.545 306 HG2 PRO 2 HG2 PRO 2 195.690 -5.487 -1.923 307 HG3 PRO 2 HG1 PRO 2 195.744 -3.967 -2.836 308 HD2 PRO 2 HD2 PRO 2 197.560 -4.583 -0.924 309 HD3 PRO 2 HD1 PRO 2 197.061 -2.918 -1.279 310 H VAL 3 HN VAL 3 192.577 -4.511 1.684 311 HA VAL 3 HA VAL 3 193.042 -7.409 1.730 312 HB VAL 3 HB VAL 3 192.414 -7.497 4.115 313 HG11 VAL 3 HG11 VAL 3 194.806 -5.758 3.520 314 HG12 VAL 3 HG12 VAL 3 194.764 -7.521 3.488 315 HG13 VAL 3 HG13 VAL 3 194.537 -6.661 5.011 316 HG21 VAL 3 HG21 VAL 3 192.559 -4.491 3.927 317 HG22 VAL 3 HG22 VAL 3 192.507 -5.397 5.438 318 HG23 VAL 3 HG23 VAL 3 191.143 -5.465 4.323 319 HA PRO 4 HA PRO 4 188.770 -7.395 0.417 320 HB2 PRO 4 HB2 PRO 4 188.831 -10.165 1.490 321 HB3 PRO 4 HB1 PRO 4 188.368 -9.590 -0.117 322 HG2 PRO 4 HG2 PRO 4 190.680 -10.842 0.251 323 HG3 PRO 4 HG1 PRO 4 190.543 -9.473 -0.870 324 HD2 PRO 4 HD2 PRO 4 191.722 -9.557 1.867 325 HD3 PRO 4 HD1 PRO 4 192.251 -8.655 0.433 326 H VAL 5 HN VAL 5 186.801 -7.129 1.383 327 HA VAL 5 HA VAL 5 186.785 -6.971 4.280 328 HB VAL 5 HB VAL 5 184.585 -6.281 2.325 329 HG11 VAL 5 HG11 VAL 5 183.778 -6.681 4.595 330 HG12 VAL 5 HG12 VAL 5 183.657 -4.973 4.170 331 HG13 VAL 5 HG13 VAL 5 184.957 -5.529 5.223 332 HG21 VAL 5 HG21 VAL 5 185.302 -3.962 2.600 333 HG22 VAL 5 HG22 VAL 5 186.593 -4.952 1.916 334 HG23 VAL 5 HG23 VAL 5 186.641 -4.492 3.618 335 H THR 6 HN THR 6 185.583 -8.208 5.654 336 HA THR 6 HA THR 6 184.305 -10.581 4.472 337 HB THR 6 HB THR 6 184.601 -11.652 6.669 338 HG1 THR 6 HG1 THR 6 186.037 -10.465 8.162 339 HG21 THR 6 HG21 THR 6 186.355 -11.900 4.983 340 HG22 THR 6 HG22 THR 6 187.043 -11.866 6.606 341 HG23 THR 6 HG23 THR 6 187.141 -10.438 5.577 342 H LYS 7 HN LYS 7 183.867 -8.010 6.847 343 HA LYS 7 HA LYS 7 180.979 -8.577 6.817 344 HB2 LYS 7 HB2 LYS 7 181.958 -9.350 8.945 345 HB3 LYS 7 HB1 LYS 7 182.602 -7.738 9.228 346 HG2 LYS 7 HG2 LYS 7 180.341 -6.841 9.340 347 HG3 LYS 7 HG1 LYS 7 179.682 -8.446 9.020 348 HD2 LYS 7 HD2 LYS 7 180.705 -9.275 11.085 349 HD3 LYS 7 HD1 LYS 7 181.364 -7.670 11.402 350 HE2 LYS 7 HE2 LYS 7 179.104 -6.761 11.533 351 HE3 LYS 7 HE1 LYS 7 178.435 -8.354 11.187 352 HZ1 LYS 7 HZ1 LYS 7 178.384 -7.874 13.549 353 HZ2 LYS 7 HZ2 LYS 7 180.059 -7.641 13.569 354 HZ3 LYS 7 HZ3 LYS 7 179.423 -9.173 13.236 355 H LEU 8 HN LEU 8 179.927 -6.913 5.965 356 HA LEU 8 HA LEU 8 180.942 -4.195 6.482 357 HB2 LEU 8 HB2 LEU 8 181.252 -5.166 4.108 358 HB3 LEU 8 HB1 LEU 8 179.519 -4.958 3.949 359 HG LEU 8 HG LEU 8 180.682 -3.085 2.947 360 HD11 LEU 8 HD11 LEU 8 179.430 -2.193 5.536 361 HD12 LEU 8 HD12 LEU 8 178.521 -2.713 4.117 362 HD13 LEU 8 HD13 LEU 8 179.545 -1.281 4.030 363 HD21 LEU 8 HD21 LEU 8 182.057 -1.574 4.281 364 HD22 LEU 8 HD22 LEU 8 182.741 -3.199 4.250 365 HD23 LEU 8 HD23 LEU 8 181.875 -2.634 5.679 366 H VAL 9 HN VAL 9 179.549 -3.273 7.836 367 HA VAL 9 HA VAL 9 176.676 -3.479 7.223 368 HB VAL 9 HB VAL 9 176.187 -3.396 9.646 369 HG11 VAL 9 HG11 VAL 9 177.911 -5.718 8.788 370 HG12 VAL 9 HG12 VAL 9 176.184 -5.534 8.488 371 HG13 VAL 9 HG13 VAL 9 176.776 -5.725 10.138 372 HG21 VAL 9 HG21 VAL 9 177.973 -3.881 11.255 373 HG22 VAL 9 HG22 VAL 9 178.253 -2.357 10.412 374 HG23 VAL 9 HG23 VAL 9 179.162 -3.799 9.956 375 H CYS 10 HN CYS 10 175.511 -1.614 7.359 376 HA CYS 10 HA CYS 10 177.044 0.828 7.939 377 HB2 CYS 10 HB2 CYS 10 176.203 0.662 5.639 378 HB3 CYS 10 HB1 CYS 10 174.563 0.465 6.246 379 HG CYS 10 HG CYS 10 175.780 3.166 5.253 380 H ASP 11 HN ASP 11 176.025 2.553 9.069 381 HA ASP 11 HA ASP 11 173.843 1.656 10.834 382 HB2 ASP 11 HB2 ASP 11 176.039 3.657 11.408 383 HB3 ASP 11 HB1 ASP 11 174.742 3.222 12.516 384 H GLY 12 HN GLY 12 171.976 2.549 10.260 385 HA2 GLY 12 HA2 GLY 12 171.788 4.920 8.693 386 HA3 GLY 12 HA1 GLY 12 170.449 4.061 9.439 387 H ASP 13 HN ASP 13 171.927 4.355 12.097 388 HA ASP 13 HA ASP 13 170.509 6.526 13.096 389 HB2 ASP 13 HB2 ASP 13 173.047 5.285 14.180 390 HB3 ASP 13 HB1 ASP 13 171.973 6.349 15.083 391 H THR 14 HN THR 14 174.068 6.444 12.870 392 HA THR 14 HA THR 14 174.052 9.357 12.574 393 HB THR 14 HB THR 14 176.469 9.237 13.040 394 HG1 THR 14 HG1 THR 14 176.002 6.447 13.407 395 HG21 THR 14 HG21 THR 14 176.306 8.526 15.383 396 HG22 THR 14 HG22 THR 14 174.770 7.733 15.034 397 HG23 THR 14 HG23 THR 14 174.906 9.486 14.904 398 H TYR 15 HN TYR 15 173.649 7.073 10.453 399 HA TYR 15 HA TYR 15 174.083 6.777 8.242 400 HB2 TYR 15 HB2 TYR 15 175.205 9.582 8.395 401 HB3 TYR 15 HB1 TYR 15 174.683 8.743 6.939 402 HD1 TYR 15 HD1 TYR 15 172.183 7.950 6.937 403 HD2 TYR 15 HD2 TYR 15 173.723 11.001 9.470 404 HE1 TYR 15 HE1 TYR 15 169.911 8.844 7.232 405 HE2 TYR 15 HE2 TYR 15 171.455 11.902 9.774 406 HH TYR 15 HH TYR 15 169.294 11.885 8.602 407 H LYS 16 HN LYS 16 176.162 6.153 10.286 408 HA LYS 16 HA LYS 16 178.634 6.522 8.772 409 HB2 LYS 16 HB2 LYS 16 179.761 5.646 10.755 410 HB3 LYS 16 HB1 LYS 16 178.690 6.975 11.182 411 HG2 LYS 16 HG2 LYS 16 177.003 5.351 11.930 412 HG3 LYS 16 HG1 LYS 16 178.124 4.040 11.551 413 HD2 LYS 16 HD2 LYS 16 179.721 4.939 13.172 414 HD3 LYS 16 HD1 LYS 16 178.606 6.254 13.545 415 HE2 LYS 16 HE2 LYS 16 176.953 4.625 14.326 416 HE3 LYS 16 HE1 LYS 16 178.071 3.314 13.953 417 HZ1 LYS 16 HZ1 LYS 16 178.120 3.872 16.299 418 HZ2 LYS 16 HZ2 LYS 16 178.538 5.472 15.941 419 HZ3 LYS 16 HZ3 LYS 16 179.614 4.217 15.581 420 H CYS 17 HN CYS 17 179.694 4.911 7.746 421 HA CYS 17 HA CYS 17 178.390 2.275 7.721 422 HB2 CYS 17 HB2 CYS 17 178.421 3.422 5.551 423 HB3 CYS 17 HB1 CYS 17 180.173 3.561 5.641 424 HG CYS 17 HG CYS 17 180.470 0.689 5.682 425 H THR 18 HN THR 18 179.395 0.919 9.063 426 HA THR 18 HA THR 18 182.267 1.120 9.488 427 HB THR 18 HB THR 18 180.279 -0.777 10.755 428 HG1 THR 18 HG1 THR 18 180.000 1.549 11.184 429 HG21 THR 18 HG21 THR 18 182.575 -1.595 10.872 430 HG22 THR 18 HG22 THR 18 182.023 -1.075 12.463 431 HG23 THR 18 HG23 THR 18 183.107 -0.047 11.527 432 H ALA 19 HN ALA 19 183.697 -0.666 9.233 433 HA ALA 19 HA ALA 19 182.765 -2.934 7.659 434 HB1 ALA 19 HB1 ALA 19 184.351 -2.624 5.880 435 HB2 ALA 19 HB2 ALA 19 185.011 -1.188 6.662 436 HB3 ALA 19 HB3 ALA 19 183.368 -1.166 6.023 437 H TYR 20 HN TYR 20 184.007 -4.760 7.895 438 HA TYR 20 HA TYR 20 186.171 -4.567 9.875 439 HB2 TYR 20 HB2 TYR 20 184.413 -6.902 9.101 440 HB3 TYR 20 HB1 TYR 20 185.750 -7.002 10.241 441 HD1 TYR 20 HD1 TYR 20 182.425 -5.495 9.660 442 HD2 TYR 20 HD2 TYR 20 185.497 -6.291 12.493 443 HE1 TYR 20 HE1 TYR 20 180.912 -4.826 11.479 444 HE2 TYR 20 HE2 TYR 20 183.992 -5.625 14.321 445 HH TYR 20 HH TYR 20 181.986 -4.238 14.641 446 H LEU 21 HN LEU 21 188.162 -4.699 9.111 447 HA LEU 21 HA LEU 21 188.662 -5.818 6.481 448 HB2 LEU 21 HB2 LEU 21 190.553 -4.534 8.453 449 HB3 LEU 21 HB1 LEU 21 190.945 -4.973 6.801 450 HG LEU 21 HG LEU 21 188.938 -2.880 7.641 451 HD11 LEU 21 HD11 LEU 21 191.656 -2.628 6.362 452 HD12 LEU 21 HD12 LEU 21 191.242 -2.189 8.019 453 HD13 LEU 21 HD13 LEU 21 190.534 -1.303 6.669 454 HD21 LEU 21 HD21 LEU 21 188.270 -4.008 5.582 455 HD22 LEU 21 HD22 LEU 21 189.865 -3.710 4.894 456 HD23 LEU 21 HD23 LEU 21 188.797 -2.356 5.259 457 H ASP 22 HN ASP 22 190.382 -7.367 6.106 458 HA ASP 22 HA ASP 22 190.421 -9.421 8.187 459 HB2 ASP 22 HB2 ASP 22 189.708 -10.047 5.896 460 HB3 ASP 22 HB1 ASP 22 191.298 -9.588 5.295 461 H TYR 23 HN TYR 23 192.139 -6.892 8.024 462 HA TYR 23 HA TYR 23 194.817 -7.918 7.684 463 HB2 TYR 23 HB2 TYR 23 194.311 -5.615 7.037 464 HB3 TYR 23 HB1 TYR 23 193.823 -5.241 8.687 465 HD1 TYR 23 HD1 TYR 23 196.688 -5.995 6.500 466 HD2 TYR 23 HD2 TYR 23 195.450 -4.794 10.389 467 HE1 TYR 23 HE1 TYR 23 198.999 -5.344 7.026 468 HE2 TYR 23 HE2 TYR 23 197.758 -4.138 10.927 469 HH TYR 23 HH TYR 23 200.185 -3.849 8.570 470 H GLY 24 HN GLY 24 196.239 -8.488 9.253 471 HA2 GLY 24 HA2 GLY 24 197.038 -9.053 11.332 472 HA3 GLY 24 HA1 GLY 24 195.986 -7.808 11.988 473 H ASP 25 HN ASP 25 195.098 -8.826 13.702 474 HA ASP 25 HA ASP 25 194.262 -11.552 13.643 475 HB2 ASP 25 HB2 ASP 25 193.606 -9.354 15.615 476 HB3 ASP 25 HB1 ASP 25 193.290 -11.069 15.862 477 H GLY 26 HN GLY 26 192.726 -8.494 12.984 478 HA2 GLY 26 HA2 GLY 26 190.799 -8.565 11.479 479 HA3 GLY 26 HA1 GLY 26 190.229 -9.956 12.389 480 H LYS 27 HN LYS 27 191.604 -7.147 13.946 481 HA LYS 27 HA LYS 27 189.001 -6.641 15.194 482 HB2 LYS 27 HB2 LYS 27 191.769 -5.727 15.993 483 HB3 LYS 27 HB1 LYS 27 190.293 -5.374 16.879 484 HG2 LYS 27 HG2 LYS 27 189.959 -7.761 17.278 485 HG3 LYS 27 HG1 LYS 27 191.443 -8.115 16.392 486 HD2 LYS 27 HD2 LYS 27 192.729 -6.830 18.026 487 HD3 LYS 27 HD1 LYS 27 191.246 -6.456 18.907 488 HE2 LYS 27 HE2 LYS 27 192.399 -9.208 18.455 489 HE3 LYS 27 HE1 LYS 27 192.469 -8.291 19.960 490 HZ1 LYS 27 HZ1 LYS 27 190.054 -8.358 20.067 491 HZ2 LYS 27 HZ2 LYS 27 190.692 -9.923 20.004 492 HZ3 LYS 27 HZ3 LYS 27 189.991 -9.240 18.624 493 H TRP 28 HN TRP 28 191.442 -5.173 13.184 494 HA TRP 28 HA TRP 28 190.718 -2.484 13.403 495 HB2 TRP 28 HB2 TRP 28 191.782 -3.946 10.977 496 HB3 TRP 28 HB1 TRP 28 191.785 -2.200 11.202 497 HD1 TRP 28 HD1 TRP 28 193.525 -5.380 12.446 498 HE1 TRP 28 HE1 TRP 28 195.719 -4.710 13.611 499 HE3 TRP 28 HE3 TRP 28 192.934 -0.302 12.433 500 HZ2 TRP 28 HZ2 TRP 28 197.026 -2.342 14.418 501 HZ3 TRP 28 HZ3 TRP 28 194.702 1.094 13.422 502 HH2 TRP 28 HH2 TRP 28 196.705 0.093 14.394 503 H VAL 29 HN VAL 29 189.284 -1.176 12.297 504 HA VAL 29 HA VAL 29 187.472 -2.385 10.362 505 HB VAL 29 HB VAL 29 185.461 -1.582 11.531 506 HG11 VAL 29 HG11 VAL 29 187.151 -3.480 13.157 507 HG12 VAL 29 HG12 VAL 29 186.136 -3.906 11.780 508 HG13 VAL 29 HG13 VAL 29 185.399 -3.312 13.268 509 HG21 VAL 29 HG21 VAL 29 187.356 -1.002 13.808 510 HG22 VAL 29 HG22 VAL 29 185.595 -0.933 13.895 511 HG23 VAL 29 HG23 VAL 29 186.472 0.193 12.858 512 H ALA 30 HN ALA 30 186.560 -0.934 8.946 513 HA ALA 30 HA ALA 30 187.669 1.770 9.040 514 HB1 ALA 30 HB1 ALA 30 188.023 0.458 7.000 515 HB2 ALA 30 HB2 ALA 30 187.073 1.910 6.684 516 HB3 ALA 30 HB3 ALA 30 186.278 0.340 6.779 517 H GLN 31 HN GLN 31 186.326 3.610 8.521 518 HA GLN 31 HA GLN 31 183.460 3.324 8.662 519 HB2 GLN 31 HB2 GLN 31 185.024 4.561 10.925 520 HB3 GLN 31 HB1 GLN 31 183.321 4.902 10.652 521 HG2 GLN 31 HG2 GLN 31 182.846 2.485 10.864 522 HG3 GLN 31 HG1 GLN 31 184.544 2.220 11.255 523 HE21 GLN 31 HE21 GLN 31 185.341 2.902 13.235 524 HE22 GLN 31 HE22 GLN 31 184.306 3.333 14.549 525 H TRP 32 HN TRP 32 182.550 4.830 7.437 526 HA TRP 32 HA TRP 32 183.777 7.467 7.199 527 HB2 TRP 32 HB2 TRP 32 183.647 7.407 4.733 528 HB3 TRP 32 HB1 TRP 32 184.773 6.209 5.364 529 HD1 TRP 32 HD1 TRP 32 181.624 6.548 3.320 530 HE1 TRP 32 HE1 TRP 32 180.900 4.228 2.471 531 HE3 TRP 32 HE3 TRP 32 184.791 3.642 6.090 532 HZ2 TRP 32 HZ2 TRP 32 181.580 1.526 2.917 533 HZ3 TRP 32 HZ3 TRP 32 184.690 1.198 5.819 534 HH2 TRP 32 HH2 TRP 32 183.116 0.164 4.265 535 H ASP 33 HN ASP 33 182.295 9.039 7.176 536 HA ASP 33 HA ASP 33 179.582 8.526 7.604 537 HB2 ASP 33 HB2 ASP 33 180.893 11.072 6.625 538 HB3 ASP 33 HB1 ASP 33 179.260 10.954 7.275 539 H THR 34 HN THR 34 177.770 8.635 6.316 540 HA THR 34 HA THR 34 178.125 9.073 3.444 541 HB THR 34 HB THR 34 176.862 7.048 2.871 542 HG1 THR 34 HG1 THR 34 175.922 5.906 4.384 543 HG21 THR 34 HG21 THR 34 179.287 6.482 4.580 544 HG22 THR 34 HG22 THR 34 179.302 6.936 2.876 545 HG23 THR 34 HG23 THR 34 178.602 5.394 3.371 546 H ALA 35 HN ALA 35 175.763 8.651 2.418 547 HA ALA 35 HA ALA 35 173.872 10.167 4.098 548 HB1 ALA 35 HB1 ALA 35 174.180 10.295 1.100 549 HB2 ALA 35 HB2 ALA 35 174.733 11.515 2.247 550 HB3 ALA 35 HB3 ALA 35 173.009 11.196 2.061 551 H VAL 36 HN VAL 36 172.166 9.004 4.670 552 HA VAL 36 HA VAL 36 171.148 6.973 2.791 553 HB VAL 36 HB VAL 36 171.037 6.775 5.802 554 HG11 VAL 36 HG11 VAL 36 170.391 4.780 3.635 555 HG12 VAL 36 HG12 VAL 36 169.227 5.615 4.664 556 HG13 VAL 36 HG13 VAL 36 170.358 4.460 5.368 557 HG21 VAL 36 HG21 VAL 36 172.884 5.378 3.868 558 HG22 VAL 36 HG22 VAL 36 172.748 5.030 5.591 559 HG23 VAL 36 HG23 VAL 36 173.345 6.599 5.053 560 H PHE 37 HN PHE 37 169.024 7.040 2.329 561 HA PHE 37 HA PHE 37 167.175 8.438 4.078 562 HB2 PHE 37 HB2 PHE 37 166.339 9.915 2.311 563 HB3 PHE 37 HB1 PHE 37 168.038 10.231 2.641 564 HD1 PHE 37 HD1 PHE 37 165.644 8.873 0.232 565 HD2 PHE 37 HD2 PHE 37 169.736 9.751 1.004 566 HE1 PHE 37 HE1 PHE 37 166.155 8.573 -2.156 567 HE2 PHE 37 HE2 PHE 37 170.254 9.454 -1.382 568 HZ PHE 37 HZ PHE 37 168.463 8.866 -2.965 569 H HIS 38 HN HIS 38 164.894 8.308 3.157 570 HA HIS 38 HA HIS 38 164.482 5.580 2.232 571 HB2 HIS 38 HB2 HIS 38 163.196 6.385 4.165 572 HB3 HIS 38 HB1 HIS 38 162.495 7.661 3.174 573 HD1 HIS 38 HD1 HIS 38 160.469 7.075 1.796 574 HD2 HIS 38 HD2 HIS 38 162.287 3.742 3.486 575 HE1 HIS 38 HE1 HIS 38 158.889 5.164 1.379 576 HE2 HIS 38 HE2 HIS 38 160.009 3.156 2.409 577 H THR 39 HN THR 39 163.667 5.010 0.290 578 HA THR 39 HA THR 39 163.289 7.161 -1.669 579 HB THR 39 HB THR 39 163.571 5.417 -3.386 580 HG1 THR 39 HG1 THR 39 163.001 3.503 -2.585 581 HG21 THR 39 HG21 THR 39 165.545 6.609 -2.575 582 HG22 THR 39 HG22 THR 39 165.944 4.940 -2.982 583 HG23 THR 39 HG23 THR 39 165.752 5.414 -1.295 584 H THR 40 HN THR 40 161.727 6.355 -3.532 585 HA THR 40 HA THR 40 159.355 5.048 -2.443 586 HB THR 40 HB THR 40 157.858 6.841 -3.225 587 HG1 THR 40 HG1 THR 40 160.259 8.336 -3.599 588 HG21 THR 40 HG21 THR 40 158.332 8.463 -1.445 589 HG22 THR 40 HG22 THR 40 159.951 7.787 -1.263 590 HG23 THR 40 HG23 THR 40 158.538 6.806 -0.877 591 H1 ALA 1 HT1 ALA 1 173.938 4.745 -13.433 592 H2 ALA 1 HT2 ALA 1 173.983 5.038 -15.098 593 H3 ALA 1 HT3 ALA 1 175.426 4.901 -14.225 594 HA ALA 1 HA ALA 1 173.448 2.737 -14.649 595 HB1 ALA 1 HB1 ALA 1 174.675 3.321 -16.686 596 HB2 ALA 1 HB2 ALA 1 175.124 1.723 -16.089 597 HB3 ALA 1 HB3 ALA 1 176.199 3.096 -15.827 598 HA PRO 2 HA PRO 2 175.699 1.647 -10.818 599 HB2 PRO 2 HB2 PRO 2 173.768 0.010 -9.851 600 HB3 PRO 2 HB1 PRO 2 173.707 1.769 -9.668 601 HG2 PRO 2 HG2 PRO 2 172.292 0.037 -11.645 602 HG3 PRO 2 HG1 PRO 2 171.682 1.431 -10.731 603 HD2 PRO 2 HD2 PRO 2 172.452 1.611 -13.320 604 HD3 PRO 2 HD1 PRO 2 172.605 2.957 -12.174 605 H VAL 3 HN VAL 3 177.017 -0.065 -10.495 606 HA VAL 3 HA VAL 3 176.433 -2.578 -11.892 607 HB VAL 3 HB VAL 3 178.802 -2.796 -12.544 608 HG11 VAL 3 HG11 VAL 3 177.443 -0.319 -13.601 609 HG12 VAL 3 HG12 VAL 3 177.181 -1.972 -14.160 610 HG13 VAL 3 HG13 VAL 3 178.747 -1.196 -14.401 611 HG21 VAL 3 HG21 VAL 3 179.001 0.039 -11.536 612 HG22 VAL 3 HG22 VAL 3 180.224 -0.760 -12.523 613 HG23 VAL 3 HG23 VAL 3 179.853 -1.374 -10.912 614 HA PRO 4 HA PRO 4 177.219 -4.205 -7.804 615 HB2 PRO 4 HB2 PRO 4 177.739 -6.708 -9.318 616 HB3 PRO 4 HB1 PRO 4 176.617 -6.411 -7.982 617 HG2 PRO 4 HG2 PRO 4 175.712 -6.700 -10.462 618 HG3 PRO 4 HG1 PRO 4 174.984 -5.527 -9.348 619 HD2 PRO 4 HD2 PRO 4 176.846 -5.056 -11.629 620 HD3 PRO 4 HD1 PRO 4 175.472 -4.080 -11.068 621 H VAL 5 HN VAL 5 178.999 -4.649 -6.576 622 HA VAL 5 HA VAL 5 181.577 -4.391 -7.880 623 HB VAL 5 HB VAL 5 180.954 -4.647 -4.933 624 HG11 VAL 5 HG11 VAL 5 183.259 -5.225 -5.494 625 HG12 VAL 5 HG12 VAL 5 183.185 -3.704 -4.605 626 HG13 VAL 5 HG13 VAL 5 183.442 -3.693 -6.350 627 HG21 VAL 5 HG21 VAL 5 181.202 -2.217 -4.846 628 HG22 VAL 5 HG22 VAL 5 179.874 -2.685 -5.909 629 HG23 VAL 5 HG23 VAL 5 181.415 -2.171 -6.596 630 H THR 6 HN THR 6 183.153 -5.930 -7.985 631 HA THR 6 HA THR 6 182.355 -8.652 -7.209 632 HB THR 6 HB THR 6 184.000 -9.447 -8.858 633 HG1 THR 6 HG1 THR 6 184.831 -7.751 -10.319 634 HG21 THR 6 HG21 THR 6 181.686 -9.094 -9.567 635 HG22 THR 6 HG22 THR 6 182.807 -8.742 -10.881 636 HG23 THR 6 HG23 THR 6 182.061 -7.421 -9.981 637 H LYS 7 HN LYS 7 185.010 -6.333 -7.091 638 HA LYS 7 HA LYS 7 186.214 -7.932 -4.934 639 HB2 LYS 7 HB2 LYS 7 187.530 -8.199 -7.003 640 HB3 LYS 7 HB1 LYS 7 187.718 -6.454 -7.102 641 HG2 LYS 7 HG2 LYS 7 188.970 -6.456 -5.014 642 HG3 LYS 7 HG1 LYS 7 188.759 -8.203 -4.882 643 HD2 LYS 7 HD2 LYS 7 189.992 -8.507 -6.975 644 HD3 LYS 7 HD1 LYS 7 190.202 -6.761 -7.106 645 HE2 LYS 7 HE2 LYS 7 191.473 -6.751 -5.024 646 HE3 LYS 7 HE1 LYS 7 191.243 -8.492 -4.866 647 HZ1 LYS 7 HZ1 LYS 7 193.414 -7.970 -5.780 648 HZ2 LYS 7 HZ2 LYS 7 192.703 -7.130 -7.066 649 HZ3 LYS 7 HZ3 LYS 7 192.481 -8.801 -6.921 650 H LEU 8 HN LEU 8 186.179 -6.814 -3.104 651 HA LEU 8 HA LEU 8 186.562 -3.895 -3.233 652 HB2 LEU 8 HB2 LEU 8 184.195 -4.777 -2.694 653 HB3 LEU 8 HB1 LEU 8 184.871 -5.233 -1.144 654 HG LEU 8 HG LEU 8 183.729 -3.105 -0.964 655 HD11 LEU 8 HD11 LEU 8 186.701 -2.637 -0.868 656 HD12 LEU 8 HD12 LEU 8 185.791 -3.515 0.361 657 HD13 LEU 8 HD13 LEU 8 185.456 -1.809 0.065 658 HD21 LEU 8 HD21 LEU 8 184.494 -1.139 -2.189 659 HD22 LEU 8 HD22 LEU 8 183.925 -2.395 -3.290 660 HD23 LEU 8 HD23 LEU 8 185.655 -2.132 -3.071 661 H VAL 9 HN VAL 9 188.516 -3.501 -2.427 662 HA VAL 9 HA VAL 9 189.251 -4.784 0.119 663 HB VAL 9 HB VAL 9 191.616 -4.788 -0.605 664 HG11 VAL 9 HG11 VAL 9 189.747 -6.338 -2.396 665 HG12 VAL 9 HG12 VAL 9 190.294 -6.821 -0.791 666 HG13 VAL 9 HG13 VAL 9 191.449 -6.711 -2.119 667 HG21 VAL 9 HG21 VAL 9 192.153 -4.511 -2.982 668 HG22 VAL 9 HG22 VAL 9 191.501 -3.028 -2.283 669 HG23 VAL 9 HG23 VAL 9 190.481 -4.046 -3.301 670 H CYS 10 HN CYS 10 190.166 -3.479 1.641 671 HA CYS 10 HA CYS 10 190.329 -0.621 0.967 672 HB2 CYS 10 HB2 CYS 10 188.665 -1.181 2.680 673 HB3 CYS 10 HB1 CYS 10 189.914 -1.948 3.654 674 HG CYS 10 HG CYS 10 188.875 0.970 4.070 675 H ASP 11 HN ASP 11 192.033 0.647 1.851 676 HA ASP 11 HA ASP 11 194.448 -0.924 2.474 677 HB2 ASP 11 HB2 ASP 11 194.240 1.771 1.112 678 HB3 ASP 11 HB1 ASP 11 195.742 0.932 1.488 679 H GLY 12 HN GLY 12 194.917 -0.812 4.567 680 HA2 GLY 12 HA2 GLY 12 193.962 1.255 6.279 681 HA3 GLY 12 HA1 GLY 12 195.103 -0.009 6.715 682 H ASP 13 HN ASP 13 196.813 0.921 4.358 683 HA ASP 13 HA ASP 13 198.645 2.448 5.782 684 HB2 ASP 13 HB2 ASP 13 198.270 2.284 2.784 685 HB3 ASP 13 HB1 ASP 13 199.704 2.910 3.594 686 H THR 14 HN THR 14 196.821 3.684 2.978 687 HA THR 14 HA THR 14 196.983 6.368 4.136 688 HB THR 14 HB THR 14 196.280 7.173 1.915 689 HG1 THR 14 HG1 THR 14 196.415 4.426 1.157 690 HG21 THR 14 HG21 THR 14 198.312 6.548 0.692 691 HG22 THR 14 HG22 THR 14 198.589 5.228 1.828 692 HG23 THR 14 HG23 THR 14 198.663 6.900 2.384 693 H TYR 15 HN TYR 15 194.975 4.013 4.680 694 HA TYR 15 HA TYR 15 192.790 3.811 5.274 695 HB2 TYR 15 HB2 TYR 15 192.817 6.836 5.260 696 HB3 TYR 15 HB1 TYR 15 191.652 5.804 6.084 697 HD1 TYR 15 HD1 TYR 15 192.672 4.141 7.836 698 HD2 TYR 15 HD2 TYR 15 194.638 7.645 6.441 699 HE1 TYR 15 HE1 TYR 15 194.090 4.137 9.846 700 HE2 TYR 15 HE2 TYR 15 196.063 7.652 8.445 701 HH TYR 15 HH TYR 15 196.010 6.787 10.745 702 H LYS 16 HN LYS 16 193.556 4.086 2.405 703 HA LYS 16 HA LYS 16 191.155 5.284 1.248 704 HB2 LYS 16 HB2 LYS 16 192.263 4.971 -0.907 705 HB3 LYS 16 HB1 LYS 16 193.314 5.824 0.217 706 HG2 LYS 16 HG2 LYS 16 194.504 3.721 0.668 707 HG3 LYS 16 HG1 LYS 16 193.476 2.906 -0.512 708 HD2 LYS 16 HD2 LYS 16 194.305 4.398 -2.264 709 HD3 LYS 16 HD1 LYS 16 195.329 5.220 -1.085 710 HE2 LYS 16 HE2 LYS 16 196.532 3.127 -0.677 711 HE3 LYS 16 HE1 LYS 16 195.509 2.310 -1.859 712 HZ1 LYS 16 HZ1 LYS 16 197.630 2.942 -2.819 713 HZ2 LYS 16 HZ2 LYS 16 197.354 4.566 -2.434 714 HZ3 LYS 16 HZ3 LYS 16 196.370 3.787 -3.568 715 H CYS 17 HN CYS 17 189.542 4.142 0.319 716 HA CYS 17 HA CYS 17 189.734 1.211 0.479 717 HB2 CYS 17 HB2 CYS 17 187.975 2.198 1.878 718 HB3 CYS 17 HB1 CYS 17 187.280 2.981 0.464 719 HG CYS 17 HG CYS 17 186.771 0.430 -0.786 720 H THR 18 HN THR 18 190.265 0.381 -1.438 721 HA THR 18 HA THR 18 189.365 1.650 -3.898 722 HB THR 18 HB THR 18 191.110 -0.796 -3.542 723 HG1 THR 18 HG1 THR 18 191.948 1.275 -2.718 724 HG21 THR 18 HG21 THR 18 190.053 -0.698 -5.740 725 HG22 THR 18 HG22 THR 18 191.779 -0.355 -5.868 726 HG23 THR 18 HG23 THR 18 190.609 0.963 -5.948 727 H ALA 19 HN ALA 19 188.235 0.514 -5.551 728 HA ALA 19 HA ALA 19 186.950 -2.000 -4.834 729 HB1 ALA 19 HB1 ALA 19 184.711 -1.197 -5.168 730 HB2 ALA 19 HB2 ALA 19 185.304 0.413 -5.578 731 HB3 ALA 19 HB3 ALA 19 185.490 -0.203 -3.937 732 H TYR 20 HN TYR 20 186.333 -3.223 -6.581 733 HA TYR 20 HA TYR 20 187.120 -2.160 -9.206 734 HB2 TYR 20 HB2 TYR 20 186.904 -5.010 -8.222 735 HB3 TYR 20 HB1 TYR 20 187.286 -4.561 -9.880 736 HD1 TYR 20 HD1 TYR 20 188.499 -4.421 -6.389 737 HD2 TYR 20 HD2 TYR 20 189.483 -3.905 -10.496 738 HE1 TYR 20 HE1 TYR 20 190.881 -4.288 -5.795 739 HE2 TYR 20 HE2 TYR 20 191.869 -3.770 -9.913 740 HH TYR 20 HH TYR 20 193.259 -3.214 -7.961 741 H LEU 21 HN LEU 21 185.527 -1.575 -10.503 742 HA LEU 21 HA LEU 21 182.826 -2.536 -10.047 743 HB2 LEU 21 HB2 LEU 21 183.886 -0.561 -12.071 744 HB3 LEU 21 HB1 LEU 21 182.192 -0.891 -11.757 745 HG LEU 21 HG LEU 21 184.140 0.340 -9.807 746 HD11 LEU 21 HD11 LEU 21 181.819 1.532 -11.316 747 HD12 LEU 21 HD12 LEU 21 183.527 1.852 -11.614 748 HD13 LEU 21 HD13 LEU 21 182.787 2.356 -10.095 749 HD21 LEU 21 HD21 LEU 21 182.473 -1.037 -8.678 750 HD22 LEU 21 HD22 LEU 21 181.184 -0.197 -9.542 751 HD23 LEU 21 HD23 LEU 21 182.185 0.677 -8.383 752 H ASP 22 HN ASP 22 181.495 -3.348 -11.799 753 HA ASP 22 HA ASP 22 183.013 -5.154 -13.524 754 HB2 ASP 22 HB2 ASP 22 181.233 -6.094 -12.076 755 HB3 ASP 22 HB1 ASP 22 180.048 -5.103 -12.921 756 H TYR 23 HN TYR 23 182.453 -2.179 -13.966 757 HA TYR 23 HA TYR 23 180.792 -2.149 -16.328 758 HB2 TYR 23 HB2 TYR 23 180.781 -0.228 -14.817 759 HB3 TYR 23 HB1 TYR 23 182.507 0.005 -15.075 760 HD1 TYR 23 HD1 TYR 23 179.175 0.280 -16.619 761 HD2 TYR 23 HD2 TYR 23 183.329 1.094 -17.045 762 HE1 TYR 23 HE1 TYR 23 178.684 1.764 -18.518 763 HE2 TYR 23 HE2 TYR 23 182.849 2.581 -18.944 764 HH TYR 23 HH TYR 23 179.716 3.653 -19.694 765 H GLY 24 HN GLY 24 181.445 -2.087 -18.421 766 HA2 GLY 24 HA2 GLY 24 182.831 -2.230 -20.248 767 HA3 GLY 24 HA1 GLY 24 184.064 -1.439 -19.278 768 H ASP 25 HN ASP 25 185.827 -2.643 -19.721 769 HA ASP 25 HA ASP 25 185.765 -5.485 -19.957 770 HB2 ASP 25 HB2 ASP 25 188.112 -3.608 -19.602 771 HB3 ASP 25 HB1 ASP 25 188.228 -5.305 -20.054 772 H GLY 26 HN GLY 26 186.321 -3.244 -17.345 773 HA2 GLY 26 HA2 GLY 26 185.860 -4.086 -15.094 774 HA3 GLY 26 HA1 GLY 26 186.720 -5.551 -15.544 775 H LYS 27 HN LYS 27 187.868 -2.373 -16.427 776 HA LYS 27 HA LYS 27 190.218 -2.818 -14.735 777 HB2 LYS 27 HB2 LYS 27 189.795 -0.910 -17.043 778 HB3 LYS 27 HB1 LYS 27 191.296 -1.094 -16.144 779 HG2 LYS 27 HG2 LYS 27 191.457 -3.417 -16.887 780 HG3 LYS 27 HG1 LYS 27 189.953 -3.230 -17.790 781 HD2 LYS 27 HD2 LYS 27 190.991 -1.494 -19.163 782 HD3 LYS 27 HD1 LYS 27 192.492 -1.663 -18.250 783 HE2 LYS 27 HE2 LYS 27 191.179 -3.805 -19.920 784 HE3 LYS 27 HE1 LYS 27 192.601 -2.867 -20.373 785 HZ1 LYS 27 HZ1 LYS 27 193.782 -3.821 -18.490 786 HZ2 LYS 27 HZ2 LYS 27 193.213 -5.038 -19.517 787 HZ3 LYS 27 HZ3 LYS 27 192.416 -4.722 -18.060 788 H TRP 28 HN TRP 28 187.553 -0.631 -15.254 789 HA TRP 28 HA TRP 28 188.458 1.603 -13.844 790 HB2 TRP 28 HB2 TRP 28 185.632 0.542 -14.060 791 HB3 TRP 28 HB1 TRP 28 186.077 2.173 -13.566 792 HD1 TRP 28 HD1 TRP 28 185.929 -0.081 -16.662 793 HE1 TRP 28 HE1 TRP 28 186.055 1.402 -18.762 794 HE3 TRP 28 HE3 TRP 28 186.912 4.411 -14.426 795 HZ2 TRP 28 HZ2 TRP 28 186.510 4.117 -19.387 796 HZ3 TRP 28 HZ3 TRP 28 187.179 6.402 -15.847 797 HH2 TRP 28 HH2 TRP 28 186.982 6.256 -18.276 798 H VAL 29 HN VAL 29 188.323 2.239 -11.706 799 HA VAL 29 HA VAL 29 187.270 0.367 -9.738 800 HB VAL 29 HB VAL 29 189.326 0.413 -8.387 801 HG11 VAL 29 HG11 VAL 29 189.719 -0.655 -11.180 802 HG12 VAL 29 HG12 VAL 29 188.906 -1.484 -9.852 803 HG13 VAL 29 HG13 VAL 29 190.635 -1.145 -9.755 804 HG21 VAL 29 HG21 VAL 29 190.552 1.747 -10.800 805 HG22 VAL 29 HG22 VAL 29 191.437 1.160 -9.392 806 HG23 VAL 29 HG23 VAL 29 190.287 2.488 -9.222 807 H ALA 30 HN ALA 30 186.647 1.316 -7.827 808 HA ALA 30 HA ALA 30 186.612 4.241 -7.838 809 HB1 ALA 30 HB1 ALA 30 184.469 3.072 -7.611 810 HB2 ALA 30 HB2 ALA 30 184.830 4.053 -6.191 811 HB3 ALA 30 HB3 ALA 30 185.049 2.304 -6.133 812 H GLN 31 HN GLN 31 187.027 5.428 -5.870 813 HA GLN 31 HA GLN 31 188.411 4.105 -3.713 814 HB2 GLN 31 HB2 GLN 31 189.869 5.923 -5.626 815 HB3 GLN 31 HB1 GLN 31 190.449 5.597 -4.000 816 HG2 GLN 31 HG2 GLN 31 190.507 3.187 -4.548 817 HG3 GLN 31 HG1 GLN 31 190.042 3.588 -6.201 818 HE21 GLN 31 HE21 GLN 31 191.519 4.598 -7.549 819 HE22 GLN 31 HE22 GLN 31 193.206 4.666 -7.185 820 H TRP 32 HN TRP 32 187.962 5.114 -1.875 821 HA TRP 32 HA TRP 32 187.572 8.006 -1.847 822 HB2 TRP 32 HB2 TRP 32 185.455 7.801 -0.594 823 HB3 TRP 32 HB1 TRP 32 185.326 7.133 -2.219 824 HD1 TRP 32 HD1 TRP 32 185.006 6.196 1.418 825 HE1 TRP 32 HE1 TRP 32 184.257 3.741 1.607 826 HE3 TRP 32 HE3 TRP 32 185.589 4.789 -3.463 827 HZ2 TRP 32 HZ2 TRP 32 183.954 1.504 -0.087 828 HZ3 TRP 32 HZ3 TRP 32 185.048 2.473 -4.095 829 HH2 TRP 32 HH2 TRP 32 184.248 0.865 -2.441 830 H ASP 33 HN ASP 33 188.450 8.913 -0.093 831 HA ASP 33 HA ASP 33 189.984 7.448 1.725 832 HB2 ASP 33 HB2 ASP 33 188.892 10.256 2.005 833 HB3 ASP 33 HB1 ASP 33 190.187 9.567 2.979 834 H THR 34 HN THR 34 189.689 6.825 3.842 835 HA THR 34 HA THR 34 187.064 7.245 5.065 836 HB THR 34 HB THR 34 186.843 4.874 5.662 837 HG1 THR 34 HG1 THR 34 188.437 3.527 5.314 838 HG21 THR 34 HG21 THR 34 187.165 5.319 2.693 839 HG22 THR 34 HG22 THR 34 185.724 5.676 3.643 840 HG23 THR 34 HG23 THR 34 186.257 4.006 3.444 841 H ALA 35 HN ALA 35 187.173 5.935 7.320 842 HA ALA 35 HA ALA 35 189.724 6.708 8.579 843 HB1 ALA 35 HB1 ALA 35 186.965 6.819 9.794 844 HB2 ALA 35 HB2 ALA 35 187.898 8.201 9.223 845 HB3 ALA 35 HB3 ALA 35 188.471 7.259 10.598 846 H VAL 36 HN VAL 36 190.836 5.019 9.289 847 HA VAL 36 HA VAL 36 189.355 2.680 10.303 848 HB VAL 36 HB VAL 36 192.025 2.578 8.898 849 HG11 VAL 36 HG11 VAL 36 190.127 0.399 9.760 850 HG12 VAL 36 HG12 VAL 36 191.679 0.784 10.503 851 HG13 VAL 36 HG13 VAL 36 191.621 0.161 8.854 852 HG21 VAL 36 HG21 VAL 36 189.286 1.890 7.837 853 HG22 VAL 36 HG22 VAL 36 190.814 1.586 7.009 854 HG23 VAL 36 HG23 VAL 36 190.294 3.242 7.323 855 H PHE 37 HN PHE 37 189.921 1.936 12.266 856 HA PHE 37 HA PHE 37 192.499 2.617 13.417 857 HB2 PHE 37 HB2 PHE 37 191.535 3.604 15.441 858 HB3 PHE 37 HB1 PHE 37 191.100 4.543 14.017 859 HD1 PHE 37 HD1 PHE 37 189.873 2.296 16.630 860 HD2 PHE 37 HD2 PHE 37 188.821 4.661 13.251 861 HE1 PHE 37 HE1 PHE 37 187.497 2.111 17.245 862 HE2 PHE 37 HE2 PHE 37 186.445 4.481 13.861 863 HZ PHE 37 HZ PHE 37 185.780 3.206 15.860 864 H HIS 38 HN HIS 38 192.706 1.614 15.656 865 HA HIS 38 HA HIS 38 191.689 -1.108 15.489 866 HB2 HIS 38 HB2 HIS 38 194.087 -0.760 15.892 867 HB3 HIS 38 HB1 HIS 38 193.716 0.122 17.368 868 HD1 HIS 38 HD1 HIS 38 193.339 -1.228 19.462 869 HD2 HIS 38 HD2 HIS 38 193.524 -3.578 16.038 870 HE1 HIS 38 HE1 HIS 38 193.417 -3.605 20.281 871 HE2 HIS 38 HE2 HIS 38 193.528 -5.011 18.192 872 H THR 39 HN THR 39 190.268 -2.018 16.873 873 HA THR 39 HA THR 39 189.023 -0.244 18.849 874 HB THR 39 HB THR 39 187.137 -1.826 18.832 875 HG1 THR 39 HG1 THR 39 187.828 -3.781 18.254 876 HG21 THR 39 HG21 THR 39 187.126 0.045 17.260 877 HG22 THR 39 HG22 THR 39 186.348 -1.372 16.553 878 HG23 THR 39 HG23 THR 39 187.989 -0.935 16.074 879 H THR 40 HN THR 40 187.980 -1.647 20.719 880 HA THR 40 HA THR 40 189.828 -3.695 21.674 881 HB THR 40 HB THR 40 190.075 -2.620 23.877 882 HG1 THR 40 HG1 THR 40 188.870 -0.357 22.623 883 HG21 THR 40 HG21 THR 40 191.656 -0.866 23.208 884 HG22 THR 40 HG22 THR 40 190.986 -0.885 21.577 885 HG23 THR 40 HG23 THR 40 191.827 -2.304 22.200 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 172.055 -1.926 17.026 2 H2 ALA 1 HT2 ALA 1 173.092 -2.623 15.889 3 H3 ALA 1 HT3 ALA 1 171.431 -2.555 15.585 4 HA ALA 1 HA ALA 1 171.472 -0.192 15.444 5 HB1 ALA 1 HB1 ALA 1 174.231 -0.571 16.465 6 HB2 ALA 1 HB2 ALA 1 173.020 0.640 16.887 7 HB3 ALA 1 HB3 ALA 1 173.923 0.785 15.379 8 HA PRO 2 HA PRO 2 174.195 -0.602 11.550 9 HB2 PRO 2 HB2 PRO 2 176.149 -2.477 11.438 10 HB3 PRO 2 HB1 PRO 2 176.413 -0.862 12.113 11 HG2 PRO 2 HG2 PRO 2 175.894 -3.431 13.542 12 HG3 PRO 2 HG1 PRO 2 177.050 -2.141 13.929 13 HD2 PRO 2 HD2 PRO 2 174.681 -2.393 15.204 14 HD3 PRO 2 HD1 PRO 2 175.458 -0.823 14.928 15 H VAL 3 HN VAL 3 174.079 -1.942 9.645 16 HA VAL 3 HA VAL 3 172.915 -4.599 10.004 17 HB VAL 3 HB VAL 3 171.130 -4.124 8.366 18 HG11 VAL 3 HG11 VAL 3 169.683 -2.843 9.875 19 HG12 VAL 3 HG12 VAL 3 171.098 -2.344 10.802 20 HG13 VAL 3 HG13 VAL 3 170.634 -4.045 10.747 21 HG21 VAL 3 HG21 VAL 3 172.140 -2.254 7.198 22 HG22 VAL 3 HG22 VAL 3 172.051 -1.265 8.656 23 HG23 VAL 3 HG23 VAL 3 170.570 -1.781 7.848 24 HA PRO 4 HA PRO 4 175.835 -5.513 6.762 25 HB2 PRO 4 HB2 PRO 4 173.962 -7.747 6.186 26 HB3 PRO 4 HB1 PRO 4 175.697 -7.791 6.529 27 HG2 PRO 4 HG2 PRO 4 173.939 -8.584 8.356 28 HG3 PRO 4 HG1 PRO 4 175.403 -7.691 8.812 29 HD2 PRO 4 HD2 PRO 4 172.588 -6.728 8.629 30 HD3 PRO 4 HD1 PRO 4 173.859 -6.298 9.791 31 H VAL 5 HN VAL 5 175.962 -5.438 4.503 32 HA VAL 5 HA VAL 5 173.688 -4.158 3.220 33 HB VAL 5 HB VAL 5 176.439 -4.697 2.091 34 HG11 VAL 5 HG11 VAL 5 174.757 -4.321 0.376 35 HG12 VAL 5 HG12 VAL 5 175.854 -2.944 0.477 36 HG13 VAL 5 HG13 VAL 5 174.241 -2.840 1.184 37 HG21 VAL 5 HG21 VAL 5 175.355 -2.213 3.415 38 HG22 VAL 5 HG22 VAL 5 176.921 -2.354 2.619 39 HG23 VAL 5 HG23 VAL 5 176.585 -3.292 4.074 40 H THR 6 HN THR 6 172.347 -5.125 1.832 41 HA THR 6 HA THR 6 172.714 -7.937 1.244 42 HB THR 6 HB THR 6 170.475 -7.816 0.228 43 HG1 THR 6 HG1 THR 6 169.580 -5.941 -0.236 44 HG21 THR 6 HG21 THR 6 170.644 -6.454 2.920 45 HG22 THR 6 HG22 THR 6 170.663 -8.195 2.638 46 HG23 THR 6 HG23 THR 6 169.219 -7.255 2.259 47 H LYS 7 HN LYS 7 172.763 -4.869 -0.460 48 HA LYS 7 HA LYS 7 174.124 -6.121 -2.691 49 HB2 LYS 7 HB2 LYS 7 171.752 -6.335 -3.306 50 HB3 LYS 7 HB1 LYS 7 171.538 -4.604 -3.091 51 HG2 LYS 7 HG2 LYS 7 172.956 -4.124 -4.945 52 HG3 LYS 7 HG1 LYS 7 173.438 -5.815 -5.083 53 HD2 LYS 7 HD2 LYS 7 171.787 -5.238 -6.784 54 HD3 LYS 7 HD1 LYS 7 171.137 -6.425 -5.652 55 HE2 LYS 7 HE2 LYS 7 169.482 -4.713 -6.142 56 HE3 LYS 7 HE1 LYS 7 169.974 -4.636 -4.451 57 HZ1 LYS 7 HZ1 LYS 7 170.957 -2.867 -6.625 58 HZ2 LYS 7 HZ2 LYS 7 171.446 -2.796 -5.007 59 HZ3 LYS 7 HZ3 LYS 7 169.846 -2.437 -5.424 60 H LEU 8 HN LEU 8 175.817 -4.873 -3.105 61 HA LEU 8 HA LEU 8 175.570 -1.972 -2.646 62 HB2 LEU 8 HB2 LEU 8 177.108 -3.335 -1.127 63 HB3 LEU 8 HB1 LEU 8 178.136 -3.538 -2.531 64 HG LEU 8 HG LEU 8 178.918 -1.738 -1.053 65 HD11 LEU 8 HD11 LEU 8 177.904 -0.572 -3.633 66 HD12 LEU 8 HD12 LEU 8 179.263 -1.690 -3.539 67 HD13 LEU 8 HD13 LEU 8 179.352 -0.125 -2.733 68 HD21 LEU 8 HD21 LEU 8 176.331 -0.367 -1.774 69 HD22 LEU 8 HD22 LEU 8 177.650 0.319 -0.826 70 HD23 LEU 8 HD23 LEU 8 176.727 -1.044 -0.195 71 H VAL 9 HN VAL 9 175.528 -0.866 -4.479 72 HA VAL 9 HA VAL 9 177.186 -1.804 -6.730 73 HB VAL 9 HB VAL 9 175.531 -0.674 -8.232 74 HG11 VAL 9 HG11 VAL 9 174.602 -2.978 -6.531 75 HG12 VAL 9 HG12 VAL 9 175.470 -3.053 -8.064 76 HG13 VAL 9 HG13 VAL 9 173.806 -2.472 -8.020 77 HG21 VAL 9 HG21 VAL 9 174.509 0.812 -6.597 78 HG22 VAL 9 HG22 VAL 9 173.867 -0.574 -5.717 79 HG23 VAL 9 HG23 VAL 9 173.288 -0.218 -7.345 80 H CYS 10 HN CYS 10 177.589 0.055 -8.337 81 HA CYS 10 HA CYS 10 177.893 2.640 -7.014 82 HB2 CYS 10 HB2 CYS 10 179.990 1.454 -6.554 83 HB3 CYS 10 HB1 CYS 10 180.200 1.142 -8.274 84 HG CYS 10 HG CYS 10 181.906 3.229 -7.171 85 H ASP 11 HN ASP 11 178.318 4.391 -8.480 86 HA ASP 11 HA ASP 11 177.655 3.759 -11.281 87 HB2 ASP 11 HB2 ASP 11 175.751 4.813 -10.131 88 HB3 ASP 11 HB1 ASP 11 176.773 6.176 -9.687 89 H GLY 12 HN GLY 12 179.258 4.245 -12.617 90 HA2 GLY 12 HA2 GLY 12 181.429 5.947 -11.777 91 HA3 GLY 12 HA1 GLY 12 181.303 5.094 -13.308 92 H ASP 13 HN ASP 13 178.602 6.279 -13.781 93 HA ASP 13 HA ASP 13 179.379 8.453 -15.358 94 HB2 ASP 13 HB2 ASP 13 176.630 7.788 -14.279 95 HB3 ASP 13 HB1 ASP 13 176.962 8.907 -15.598 96 H THR 14 HN THR 14 178.188 8.298 -12.059 97 HA THR 14 HA THR 14 178.582 11.212 -11.839 98 HB THR 14 HB THR 14 176.960 11.205 -9.986 99 HG1 THR 14 HG1 THR 14 175.805 9.337 -9.522 100 HG21 THR 14 HG21 THR 14 176.180 11.704 -12.249 101 HG22 THR 14 HG22 THR 14 174.938 10.854 -11.330 102 HG23 THR 14 HG23 THR 14 175.889 9.988 -12.536 103 H TYR 15 HN TYR 15 179.962 8.332 -11.056 104 HA TYR 15 HA TYR 15 181.557 7.682 -9.574 105 HB2 TYR 15 HB2 TYR 15 181.726 10.621 -8.882 106 HB3 TYR 15 HB1 TYR 15 182.950 9.397 -8.560 107 HD1 TYR 15 HD1 TYR 15 181.863 11.889 -10.821 108 HD2 TYR 15 HD2 TYR 15 183.899 8.158 -10.650 109 HE1 TYR 15 HE1 TYR 15 182.895 12.359 -13.002 110 HE2 TYR 15 HE2 TYR 15 184.940 8.618 -12.830 111 HH TYR 15 HH TYR 15 184.885 11.681 -14.282 112 H LYS 16 HN LYS 16 178.665 8.112 -8.744 113 HA LYS 16 HA LYS 16 179.044 8.405 -5.848 114 HB2 LYS 16 HB2 LYS 16 176.508 8.436 -7.495 115 HB3 LYS 16 HB1 LYS 16 176.585 8.639 -5.750 116 HG2 LYS 16 HG2 LYS 16 177.892 10.681 -6.040 117 HG3 LYS 16 HG1 LYS 16 177.819 10.476 -7.791 118 HD2 LYS 16 HD2 LYS 16 175.382 10.656 -7.714 119 HD3 LYS 16 HD1 LYS 16 175.447 10.844 -5.960 120 HE2 LYS 16 HE2 LYS 16 176.746 12.899 -6.231 121 HE3 LYS 16 HE1 LYS 16 176.685 12.710 -7.983 122 HZ1 LYS 16 HZ1 LYS 16 174.279 12.914 -7.884 123 HZ2 LYS 16 HZ2 LYS 16 175.020 14.274 -7.205 124 HZ3 LYS 16 HZ3 LYS 16 174.338 13.095 -6.202 125 H CYS 17 HN CYS 17 178.900 6.702 -4.533 126 HA CYS 17 HA CYS 17 178.153 4.121 -5.704 127 HB2 CYS 17 HB2 CYS 17 180.366 4.259 -4.650 128 HB3 CYS 17 HB1 CYS 17 179.621 4.748 -3.133 129 HG CYS 17 HG CYS 17 178.431 1.859 -4.315 130 H THR 18 HN THR 18 176.202 3.332 -5.306 131 HA THR 18 HA THR 18 174.670 4.374 -3.040 132 HB THR 18 HB THR 18 173.719 2.666 -5.349 133 HG1 THR 18 HG1 THR 18 172.873 4.657 -6.126 134 HG21 THR 18 HG21 THR 18 172.300 2.453 -3.380 135 HG22 THR 18 HG22 THR 18 171.476 3.388 -4.628 136 HG23 THR 18 HG23 THR 18 172.197 4.208 -3.244 137 H ALA 19 HN ALA 19 173.511 2.957 -1.635 138 HA ALA 19 HA ALA 19 174.366 0.158 -1.613 139 HB1 ALA 19 HB1 ALA 19 175.939 1.400 -0.176 140 HB2 ALA 19 HB2 ALA 19 174.979 0.227 0.725 141 HB3 ALA 19 HB3 ALA 19 174.580 1.944 0.808 142 H TYR 20 HN TYR 20 172.990 -1.248 -0.451 143 HA TYR 20 HA TYR 20 170.371 -0.081 0.232 144 HB2 TYR 20 HB2 TYR 20 170.966 -2.756 -1.047 145 HB3 TYR 20 HB1 TYR 20 169.372 -2.237 -0.508 146 HD1 TYR 20 HD1 TYR 20 167.990 -0.984 -1.926 147 HD2 TYR 20 HD2 TYR 20 172.125 -1.367 -2.851 148 HE1 TYR 20 HE1 TYR 20 167.595 0.076 -4.109 149 HE2 TYR 20 HE2 TYR 20 171.742 -0.308 -5.035 150 HH TYR 20 HH TYR 20 169.885 0.046 -6.610 151 H LEU 21 HN LEU 21 169.950 -0.215 2.322 152 HA LEU 21 HA LEU 21 171.390 -2.050 4.022 153 HB2 LEU 21 HB2 LEU 21 169.190 -0.101 4.711 154 HB3 LEU 21 HB1 LEU 21 170.219 -0.939 5.856 155 HG LEU 21 HG LEU 21 171.121 1.134 3.855 156 HD11 LEU 21 HD11 LEU 21 170.871 1.236 6.858 157 HD12 LEU 21 HD12 LEU 21 169.851 2.086 5.697 158 HD13 LEU 21 HD13 LEU 21 171.559 2.499 5.838 159 HD21 LEU 21 HD21 LEU 21 172.684 -0.332 5.978 160 HD22 LEU 21 HD22 LEU 21 173.291 0.969 4.955 161 HD23 LEU 21 HD23 LEU 21 172.829 -0.574 4.237 162 H ASP 22 HN ASP 22 170.348 -3.504 5.518 163 HA ASP 22 HA ASP 22 168.045 -4.828 4.296 164 HB2 ASP 22 HB2 ASP 22 170.067 -6.166 4.811 165 HB3 ASP 22 HB1 ASP 22 169.866 -5.782 6.517 166 H TYR 23 HN TYR 23 168.045 -2.336 6.082 167 HA TYR 23 HA TYR 23 166.587 -3.226 8.421 168 HB2 TYR 23 HB2 TYR 23 168.119 -1.330 8.620 169 HB3 TYR 23 HB1 TYR 23 167.209 -0.445 7.401 170 HD1 TYR 23 HD1 TYR 23 167.170 -1.695 10.862 171 HD2 TYR 23 HD2 TYR 23 165.153 0.665 7.953 172 HE1 TYR 23 HE1 TYR 23 165.750 -0.741 12.628 173 HE2 TYR 23 HE2 TYR 23 163.728 1.625 9.710 174 HH TYR 23 HH TYR 23 162.942 1.044 11.968 175 H GLY 24 HN GLY 24 164.501 -3.702 8.331 176 HA2 GLY 24 HA2 GLY 24 162.231 -3.274 7.987 177 HA3 GLY 24 HA1 GLY 24 162.667 -1.941 6.928 178 H ASP 25 HN ASP 25 161.845 -2.274 4.979 179 HA ASP 25 HA ASP 25 161.563 -4.992 3.962 180 HB2 ASP 25 HB2 ASP 25 160.598 -2.357 2.832 181 HB3 ASP 25 HB1 ASP 25 160.231 -3.945 2.166 182 H GLY 26 HN GLY 26 163.391 -2.070 3.396 183 HA2 GLY 26 HA2 GLY 26 165.641 -2.545 2.416 184 HA3 GLY 26 HA1 GLY 26 164.778 -3.431 1.169 185 H LYS 27 HN LYS 27 163.913 -0.315 2.601 186 HA LYS 27 HA LYS 27 164.002 0.853 -0.089 187 HB2 LYS 27 HB2 LYS 27 162.638 1.827 2.426 188 HB3 LYS 27 HB1 LYS 27 162.585 2.642 0.869 189 HG2 LYS 27 HG2 LYS 27 161.511 -0.111 1.450 190 HG3 LYS 27 HG1 LYS 27 160.554 1.362 1.285 191 HD2 LYS 27 HD2 LYS 27 161.312 1.598 -1.028 192 HD3 LYS 27 HD1 LYS 27 162.285 0.135 -0.862 193 HE2 LYS 27 HE2 LYS 27 159.283 0.303 -0.615 194 HE3 LYS 27 HE1 LYS 27 160.171 -0.318 -2.006 195 HZ1 LYS 27 HZ1 LYS 27 161.076 -2.064 -0.603 196 HZ2 LYS 27 HZ2 LYS 27 159.386 -2.106 -0.588 197 HZ3 LYS 27 HZ3 LYS 27 160.226 -1.467 0.733 198 H TRP 28 HN TRP 28 165.280 1.190 3.150 199 HA TRP 28 HA TRP 28 166.479 3.727 2.835 200 HB2 TRP 28 HB2 TRP 28 167.274 1.439 4.649 201 HB3 TRP 28 HB1 TRP 28 167.837 3.100 4.799 202 HD1 TRP 28 HD1 TRP 28 164.835 0.882 5.513 203 HE1 TRP 28 HE1 TRP 28 163.151 2.191 6.952 204 HE3 TRP 28 HE3 TRP 28 166.990 5.511 5.277 205 HZ2 TRP 28 HZ2 TRP 28 162.783 4.835 7.868 206 HZ3 TRP 28 HZ3 TRP 28 165.909 7.377 6.462 207 HH2 TRP 28 HH2 TRP 28 163.850 7.045 7.730 208 H VAL 29 HN VAL 29 168.208 4.333 1.715 209 HA VAL 29 HA VAL 29 170.265 2.342 1.071 210 HB VAL 29 HB VAL 29 170.451 3.233 -1.223 211 HG11 VAL 29 HG11 VAL 29 168.447 2.148 -2.127 212 HG12 VAL 29 HG12 VAL 29 167.719 2.165 -0.521 213 HG13 VAL 29 HG13 VAL 29 169.168 1.205 -0.823 214 HG21 VAL 29 HG21 VAL 29 168.643 4.610 -2.143 215 HG22 VAL 29 HG22 VAL 29 169.498 5.444 -0.846 216 HG23 VAL 29 HG23 VAL 29 167.917 4.724 -0.540 217 H ALA 30 HN ALA 30 172.349 3.133 0.893 218 HA ALA 30 HA ALA 30 172.710 5.886 1.854 219 HB1 ALA 30 HB1 ALA 30 174.662 3.587 1.924 220 HB2 ALA 30 HB2 ALA 30 173.646 4.108 3.269 221 HB3 ALA 30 HB3 ALA 30 174.896 5.183 2.639 222 H GLN 31 HN GLN 31 174.385 7.195 0.954 223 HA GLN 31 HA GLN 31 175.591 6.356 -1.548 224 HB2 GLN 31 HB2 GLN 31 173.661 8.675 -1.398 225 HB3 GLN 31 HB1 GLN 31 174.736 8.368 -2.754 226 HG2 GLN 31 HG2 GLN 31 173.642 6.190 -3.096 227 HG3 GLN 31 HG1 GLN 31 172.526 6.571 -1.785 228 HE21 GLN 31 HE21 GLN 31 170.742 6.458 -3.138 229 HE22 GLN 31 HE22 GLN 31 170.390 7.682 -4.307 230 H TRP 32 HN TRP 32 177.470 7.418 -2.005 231 HA TRP 32 HA TRP 32 178.150 9.887 -0.665 232 HB2 TRP 32 HB2 TRP 32 180.189 8.970 0.393 233 HB3 TRP 32 HB1 TRP 32 178.718 8.282 1.072 234 HD1 TRP 32 HD1 TRP 32 181.875 7.337 -0.783 235 HE1 TRP 32 HE1 TRP 32 181.997 4.776 -1.001 236 HE3 TRP 32 HE3 TRP 32 177.164 6.158 0.819 237 HZ2 TRP 32 HZ2 TRP 32 180.320 2.550 -0.555 238 HZ3 TRP 32 HZ3 TRP 32 176.502 3.790 0.892 239 HH2 TRP 32 HH2 TRP 32 178.048 2.024 0.218 240 H ASP 33 HN ASP 33 179.569 11.066 -1.826 241 HA ASP 33 HA ASP 33 180.179 10.368 -4.464 242 HB2 ASP 33 HB2 ASP 33 181.498 12.447 -2.704 243 HB3 ASP 33 HB1 ASP 33 181.638 12.361 -4.458 244 H THR 34 HN THR 34 182.146 9.844 -5.484 245 HA THR 34 HA THR 34 184.422 9.084 -3.851 246 HB THR 34 HB THR 34 184.535 6.792 -4.720 247 HG1 THR 34 HG1 THR 34 183.233 6.185 -6.272 248 HG21 THR 34 HG21 THR 34 181.906 7.380 -3.354 249 HG22 THR 34 HG22 THR 34 183.463 7.195 -2.547 250 HG23 THR 34 HG23 THR 34 182.736 5.824 -3.383 251 H ALA 35 HN ALA 35 186.052 7.874 -5.469 252 HA ALA 35 HA ALA 35 186.114 9.482 -7.940 253 HB1 ALA 35 HB1 ALA 35 188.547 9.545 -7.755 254 HB2 ALA 35 HB2 ALA 35 188.463 8.631 -6.250 255 HB3 ALA 35 HB3 ALA 35 187.783 10.256 -6.333 256 H VAL 36 HN VAL 36 186.234 8.378 -9.787 257 HA VAL 36 HA VAL 36 187.192 5.594 -9.700 258 HB VAL 36 HB VAL 36 184.885 6.581 -11.383 259 HG11 VAL 36 HG11 VAL 36 184.542 4.200 -11.867 260 HG12 VAL 36 HG12 VAL 36 185.989 3.809 -10.937 261 HG13 VAL 36 HG13 VAL 36 186.121 4.760 -12.417 262 HG21 VAL 36 HG21 VAL 36 183.463 5.231 -9.907 263 HG22 VAL 36 HG22 VAL 36 184.260 6.539 -9.033 264 HG23 VAL 36 HG23 VAL 36 184.860 4.887 -8.887 265 H PHE 37 HN PHE 37 188.613 5.027 -11.245 266 HA PHE 37 HA PHE 37 188.843 6.583 -13.687 267 HB2 PHE 37 HB2 PHE 37 191.240 7.012 -13.386 268 HB3 PHE 37 HB1 PHE 37 190.293 7.794 -12.124 269 HD1 PHE 37 HD1 PHE 37 192.723 5.186 -12.886 270 HD2 PHE 37 HD2 PHE 37 190.378 6.998 -9.831 271 HE1 PHE 37 HE1 PHE 37 194.101 4.076 -11.177 272 HE2 PHE 37 HE2 PHE 37 191.753 5.892 -8.116 273 HZ PHE 37 HZ PHE 37 193.617 4.429 -8.788 274 H HIS 38 HN HIS 38 190.265 5.573 -15.271 275 HA HIS 38 HA HIS 38 190.106 2.685 -15.095 276 HB2 HIS 38 HB2 HIS 38 189.423 3.834 -17.164 277 HB3 HIS 38 HB1 HIS 38 191.058 4.458 -17.355 278 HD1 HIS 38 HD1 HIS 38 192.812 2.887 -18.328 279 HD2 HIS 38 HD2 HIS 38 189.134 1.062 -17.694 280 HE1 HIS 38 HE1 HIS 38 192.957 0.661 -19.490 281 HE2 HIS 38 HE2 HIS 38 190.719 -0.428 -19.093 282 H THR 39 HN THR 39 191.723 1.411 -14.498 283 HA THR 39 HA THR 39 194.350 2.539 -14.026 284 HB THR 39 HB THR 39 194.891 0.358 -13.021 285 HG1 THR 39 HG1 THR 39 192.202 -0.355 -13.648 286 HG21 THR 39 HG21 THR 39 193.303 0.454 -11.154 287 HG22 THR 39 HG22 THR 39 192.235 1.476 -12.115 288 HG23 THR 39 HG23 THR 39 193.825 2.067 -11.637 289 H THR 40 HN THR 40 196.294 1.208 -14.652 290 HA THR 40 HA THR 40 195.991 -0.229 -17.175 291 HB THR 40 HB THR 40 197.777 1.071 -18.264 292 HG1 THR 40 HG1 THR 40 198.770 2.678 -17.247 293 HG21 THR 40 HG21 THR 40 196.471 3.095 -18.731 294 HG22 THR 40 HG22 THR 40 195.454 2.761 -17.330 295 HG23 THR 40 HG23 THR 40 195.446 1.659 -18.707 296 H1 ALA 1 HT1 ALA 1 199.990 -5.321 -0.267 297 H2 ALA 1 HT2 ALA 1 198.404 -5.590 -0.785 298 H3 ALA 1 HT3 ALA 1 198.897 -6.130 0.737 299 HA ALA 1 HA ALA 1 199.176 -3.915 1.523 300 HB1 ALA 1 HB1 ALA 1 198.766 -3.265 -1.341 301 HB2 ALA 1 HB2 ALA 1 199.894 -2.579 -0.170 302 HB3 ALA 1 HB3 ALA 1 198.193 -2.113 -0.136 303 HA PRO 2 HA PRO 2 194.471 -3.292 1.051 304 HB2 PRO 2 HB2 PRO 2 193.163 -4.327 -1.085 305 HB3 PRO 2 HB1 PRO 2 193.922 -2.729 -1.114 306 HG2 PRO 2 HG2 PRO 2 194.948 -5.313 -2.196 307 HG3 PRO 2 HG1 PRO 2 195.000 -3.691 -2.917 308 HD2 PRO 2 HD2 PRO 2 197.133 -4.795 -1.678 309 HD3 PRO 2 HD1 PRO 2 196.824 -3.049 -1.681 310 H VAL 3 HN VAL 3 192.615 -4.576 1.638 311 HA VAL 3 HA VAL 3 192.979 -7.476 1.570 312 HB VAL 3 HB VAL 3 192.430 -7.680 3.970 313 HG11 VAL 3 HG11 VAL 3 194.629 -7.018 4.828 314 HG12 VAL 3 HG12 VAL 3 194.893 -6.041 3.385 315 HG13 VAL 3 HG13 VAL 3 194.751 -7.793 3.248 316 HG21 VAL 3 HG21 VAL 3 191.287 -5.567 4.303 317 HG22 VAL 3 HG22 VAL 3 192.780 -4.683 3.987 318 HG23 VAL 3 HG23 VAL 3 192.645 -5.700 5.421 319 HA PRO 4 HA PRO 4 188.667 -7.254 0.462 320 HB2 PRO 4 HB2 PRO 4 188.602 -10.015 1.558 321 HB3 PRO 4 HB1 PRO 4 188.117 -9.424 -0.038 322 HG2 PRO 4 HG2 PRO 4 190.364 -10.810 0.264 323 HG3 PRO 4 HG1 PRO 4 190.266 -9.445 -0.867 324 HD2 PRO 4 HD2 PRO 4 191.540 -9.575 1.825 325 HD3 PRO 4 HD1 PRO 4 192.065 -8.714 0.364 326 H VAL 5 HN VAL 5 186.644 -7.132 1.472 327 HA VAL 5 HA VAL 5 186.770 -6.765 4.354 328 HB VAL 5 HB VAL 5 184.450 -6.261 2.482 329 HG11 VAL 5 HG11 VAL 5 183.769 -6.518 4.803 330 HG12 VAL 5 HG12 VAL 5 183.611 -4.837 4.296 331 HG13 VAL 5 HG13 VAL 5 184.972 -5.330 5.304 332 HG21 VAL 5 HG21 VAL 5 186.540 -4.347 3.519 333 HG22 VAL 5 HG22 VAL 5 185.115 -3.904 2.580 334 HG23 VAL 5 HG23 VAL 5 186.372 -4.905 1.854 335 H THR 6 HN THR 6 185.984 -8.150 5.811 336 HA THR 6 HA THR 6 184.802 -10.632 4.902 337 HB THR 6 HB THR 6 184.938 -11.333 7.257 338 HG1 THR 6 HG1 THR 6 185.266 -9.912 8.808 339 HG21 THR 6 HG21 THR 6 187.462 -10.012 6.254 340 HG22 THR 6 HG22 THR 6 186.896 -11.625 5.821 341 HG23 THR 6 HG23 THR 6 187.379 -11.276 7.481 342 H LYS 7 HN LYS 7 183.834 -7.753 6.660 343 HA LYS 7 HA LYS 7 181.046 -8.417 6.228 344 HB2 LYS 7 HB2 LYS 7 181.533 -9.478 8.393 345 HB3 LYS 7 HB1 LYS 7 182.126 -7.943 9.014 346 HG2 LYS 7 HG2 LYS 7 179.953 -6.976 8.905 347 HG3 LYS 7 HG1 LYS 7 179.313 -8.373 8.039 348 HD2 LYS 7 HD2 LYS 7 178.667 -8.434 10.391 349 HD3 LYS 7 HD1 LYS 7 179.738 -9.779 9.998 350 HE2 LYS 7 HE2 LYS 7 180.357 -8.787 12.129 351 HE3 LYS 7 HE1 LYS 7 181.631 -8.542 10.936 352 HZ1 LYS 7 HZ1 LYS 7 179.602 -6.529 11.746 353 HZ2 LYS 7 HZ2 LYS 7 180.812 -6.290 10.589 354 HZ3 LYS 7 HZ3 LYS 7 181.229 -6.537 12.210 355 H LEU 8 HN LEU 8 180.146 -6.635 5.443 356 HA LEU 8 HA LEU 8 181.177 -4.026 6.346 357 HB2 LEU 8 HB2 LEU 8 181.574 -4.739 3.925 358 HB3 LEU 8 HB1 LEU 8 179.848 -4.547 3.697 359 HG LEU 8 HG LEU 8 181.113 -2.591 2.920 360 HD11 LEU 8 HD11 LEU 8 179.513 -1.870 5.362 361 HD12 LEU 8 HD12 LEU 8 178.788 -2.413 3.850 362 HD13 LEU 8 HD13 LEU 8 179.735 -0.925 3.891 363 HD21 LEU 8 HD21 LEU 8 181.885 -2.255 5.813 364 HD22 LEU 8 HD22 LEU 8 182.245 -1.138 4.498 365 HD23 LEU 8 HD23 LEU 8 182.970 -2.745 4.512 366 H VAL 9 HN VAL 9 179.787 -3.005 7.615 367 HA VAL 9 HA VAL 9 176.905 -3.268 7.051 368 HB VAL 9 HB VAL 9 176.534 -2.814 9.487 369 HG11 VAL 9 HG11 VAL 9 178.029 -5.304 8.691 370 HG12 VAL 9 HG12 VAL 9 176.284 -5.052 8.699 371 HG13 VAL 9 HG13 VAL 9 177.173 -5.118 10.221 372 HG21 VAL 9 HG21 VAL 9 178.689 -1.808 10.004 373 HG22 VAL 9 HG22 VAL 9 179.502 -3.335 9.663 374 HG23 VAL 9 HG23 VAL 9 178.398 -3.210 11.033 375 H CYS 10 HN CYS 10 175.648 -1.385 8.089 376 HA CYS 10 HA CYS 10 177.132 1.129 8.024 377 HB2 CYS 10 HB2 CYS 10 176.383 0.788 5.714 378 HB3 CYS 10 HB1 CYS 10 174.727 0.578 6.272 379 HG CYS 10 HG CYS 10 175.300 3.140 5.013 380 H ASP 11 HN ASP 11 175.970 2.919 8.941 381 HA ASP 11 HA ASP 11 173.702 2.096 10.633 382 HB2 ASP 11 HB2 ASP 11 175.751 2.382 11.968 383 HB3 ASP 11 HB1 ASP 11 175.924 4.022 11.352 384 H GLY 12 HN GLY 12 171.900 3.138 10.128 385 HA2 GLY 12 HA2 GLY 12 171.964 5.511 8.489 386 HA3 GLY 12 HA1 GLY 12 170.529 4.674 9.060 387 H ASP 13 HN ASP 13 171.537 4.796 11.869 388 HA ASP 13 HA ASP 13 170.194 7.109 12.688 389 HB2 ASP 13 HB2 ASP 13 172.254 5.484 14.197 390 HB3 ASP 13 HB1 ASP 13 171.150 6.650 14.920 391 H THR 14 HN THR 14 173.590 6.520 12.017 392 HA THR 14 HA THR 14 174.127 9.377 12.516 393 HB THR 14 HB THR 14 176.476 8.772 12.944 394 HG1 THR 14 HG1 THR 14 177.066 6.610 13.067 395 HG21 THR 14 HG21 THR 14 174.933 8.960 14.832 396 HG22 THR 14 HG22 THR 14 176.143 7.713 15.131 397 HG23 THR 14 HG23 THR 14 174.505 7.257 14.661 398 H TYR 15 HN TYR 15 173.679 7.196 10.096 399 HA TYR 15 HA TYR 15 174.146 7.166 7.873 400 HB2 TYR 15 HB2 TYR 15 175.200 9.964 8.335 401 HB3 TYR 15 HB1 TYR 15 174.716 9.268 6.791 402 HD1 TYR 15 HD1 TYR 15 173.668 11.200 9.562 403 HD2 TYR 15 HD2 TYR 15 172.238 8.467 6.632 404 HE1 TYR 15 HE1 TYR 15 171.379 12.021 9.923 405 HE2 TYR 15 HE2 TYR 15 169.944 9.282 6.983 406 HH TYR 15 HH TYR 15 169.243 12.119 8.701 407 H LYS 16 HN LYS 16 176.247 6.512 9.969 408 HA LYS 16 HA LYS 16 178.666 6.913 8.354 409 HB2 LYS 16 HB2 LYS 16 178.367 6.022 11.228 410 HB3 LYS 16 HB1 LYS 16 179.897 6.234 10.388 411 HG2 LYS 16 HG2 LYS 16 179.420 8.612 10.111 412 HG3 LYS 16 HG1 LYS 16 177.883 8.401 10.951 413 HD2 LYS 16 HD2 LYS 16 179.076 7.680 12.960 414 HD3 LYS 16 HD1 LYS 16 180.616 7.874 12.120 415 HE2 LYS 16 HE2 LYS 16 180.163 10.262 11.844 416 HE3 LYS 16 HE1 LYS 16 178.622 10.068 12.679 417 HZ1 LYS 16 HZ1 LYS 16 179.824 9.380 14.659 418 HZ2 LYS 16 HZ2 LYS 16 180.329 10.915 14.160 419 HZ3 LYS 16 HZ3 LYS 16 181.302 9.565 13.857 420 H CYS 17 HN CYS 17 179.577 5.270 7.297 421 HA CYS 17 HA CYS 17 178.428 2.599 7.651 422 HB2 CYS 17 HB2 CYS 17 178.382 3.531 5.379 423 HB3 CYS 17 HB1 CYS 17 180.132 3.711 5.411 424 HG CYS 17 HG CYS 17 179.115 0.591 6.034 425 H THR 18 HN THR 18 179.510 1.153 8.800 426 HA THR 18 HA THR 18 182.368 1.558 9.288 427 HB THR 18 HB THR 18 180.468 -0.373 10.634 428 HG1 THR 18 HG1 THR 18 180.520 1.174 12.333 429 HG21 THR 18 HG21 THR 18 182.790 -1.095 10.776 430 HG22 THR 18 HG22 THR 18 182.233 -0.520 12.347 431 HG23 THR 18 HG23 THR 18 183.270 0.502 11.351 432 H ALA 19 HN ALA 19 183.866 -0.188 9.104 433 HA ALA 19 HA ALA 19 183.001 -2.483 7.507 434 HB1 ALA 19 HB1 ALA 19 183.775 -0.758 5.924 435 HB2 ALA 19 HB2 ALA 19 184.786 -2.204 5.899 436 HB3 ALA 19 HB3 ALA 19 185.344 -0.751 6.730 437 H TYR 20 HN TYR 20 184.385 -4.297 7.621 438 HA TYR 20 HA TYR 20 186.367 -4.167 9.801 439 HB2 TYR 20 HB2 TYR 20 184.503 -6.438 9.081 440 HB3 TYR 20 HB1 TYR 20 185.782 -6.538 10.287 441 HD1 TYR 20 HD1 TYR 20 185.384 -5.870 12.498 442 HD2 TYR 20 HD2 TYR 20 182.651 -4.716 9.447 443 HE1 TYR 20 HE1 TYR 20 183.839 -5.020 14.211 444 HE2 TYR 20 HE2 TYR 20 181.099 -3.863 11.152 445 HH TYR 20 HH TYR 20 180.615 -4.207 13.540 446 H LEU 21 HN LEU 21 188.363 -4.454 9.093 447 HA LEU 21 HA LEU 21 188.878 -5.642 6.513 448 HB2 LEU 21 HB2 LEU 21 190.815 -4.630 8.596 449 HB3 LEU 21 HB1 LEU 21 191.208 -5.039 6.937 450 HG LEU 21 HG LEU 21 189.419 -2.773 7.824 451 HD11 LEU 21 HD11 LEU 21 192.181 -2.777 6.612 452 HD12 LEU 21 HD12 LEU 21 191.772 -2.355 8.275 453 HD13 LEU 21 HD13 LEU 21 191.202 -1.347 6.945 454 HD21 LEU 21 HD21 LEU 21 190.317 -3.578 5.059 455 HD22 LEU 21 HD22 LEU 21 189.382 -2.140 5.470 456 HD23 LEU 21 HD23 LEU 21 188.684 -3.742 5.704 457 H ASP 22 HN ASP 22 190.397 -7.379 6.178 458 HA ASP 22 HA ASP 22 190.124 -9.448 8.228 459 HB2 ASP 22 HB2 ASP 22 189.427 -9.958 5.903 460 HB3 ASP 22 HB1 ASP 22 191.080 -9.679 5.365 461 H TYR 23 HN TYR 23 192.132 -7.133 8.156 462 HA TYR 23 HA TYR 23 194.675 -8.501 7.935 463 HB2 TYR 23 HB2 TYR 23 194.499 -6.177 7.192 464 HB3 TYR 23 HB1 TYR 23 193.999 -5.681 8.805 465 HD1 TYR 23 HD1 TYR 23 196.825 -6.869 6.768 466 HD2 TYR 23 HD2 TYR 23 195.602 -5.398 10.568 467 HE1 TYR 23 HE1 TYR 23 199.179 -6.504 7.378 468 HE2 TYR 23 HE2 TYR 23 197.952 -5.029 11.188 469 HH TYR 23 HH TYR 23 200.177 -5.864 10.555 470 H GLY 24 HN GLY 24 195.447 -9.705 9.531 471 HA2 GLY 24 HA2 GLY 24 196.240 -10.132 11.685 472 HA3 GLY 24 HA1 GLY 24 195.355 -8.729 12.264 473 H ASP 25 HN ASP 25 193.958 -9.333 13.770 474 HA ASP 25 HA ASP 25 192.708 -11.963 13.625 475 HB2 ASP 25 HB2 ASP 25 192.622 -9.858 15.797 476 HB3 ASP 25 HB1 ASP 25 191.919 -11.469 15.913 477 H GLY 26 HN GLY 26 191.914 -8.574 13.337 478 HA2 GLY 26 HA2 GLY 26 189.962 -8.194 11.822 479 HA3 GLY 26 HA1 GLY 26 189.098 -9.329 12.847 480 H LYS 27 HN LYS 27 191.296 -6.746 13.851 481 HA LYS 27 HA LYS 27 189.108 -5.620 15.448 482 HB2 LYS 27 HB2 LYS 27 192.097 -5.217 15.658 483 HB3 LYS 27 HB1 LYS 27 190.903 -4.473 16.712 484 HG2 LYS 27 HG2 LYS 27 191.402 -7.430 16.432 485 HG3 LYS 27 HG1 LYS 27 191.949 -6.406 17.760 486 HD2 LYS 27 HD2 LYS 27 189.627 -5.903 18.335 487 HD3 LYS 27 HD1 LYS 27 189.074 -6.911 16.995 488 HE2 LYS 27 HE2 LYS 27 190.665 -7.849 19.379 489 HE3 LYS 27 HE1 LYS 27 188.939 -8.099 19.127 490 HZ1 LYS 27 HZ1 LYS 27 189.451 -9.401 17.157 491 HZ2 LYS 27 HZ2 LYS 27 190.215 -10.055 18.516 492 HZ3 LYS 27 HZ3 LYS 27 191.108 -9.157 17.396 493 H TRP 28 HN TRP 28 191.432 -4.850 12.949 494 HA TRP 28 HA TRP 28 191.072 -2.049 12.931 495 HB2 TRP 28 HB2 TRP 28 191.896 -3.896 10.679 496 HB3 TRP 28 HB1 TRP 28 192.070 -2.144 10.674 497 HD1 TRP 28 HD1 TRP 28 193.647 -5.306 12.076 498 HE1 TRP 28 HE1 TRP 28 195.897 -4.705 13.171 499 HE3 TRP 28 HE3 TRP 28 193.298 -0.208 11.903 500 HZ2 TRP 28 HZ2 TRP 28 197.335 -2.378 13.869 501 HZ3 TRP 28 HZ3 TRP 28 195.154 1.132 12.805 502 HH2 TRP 28 HH2 TRP 28 197.130 0.068 13.767 503 H VAL 29 HN VAL 29 189.424 -0.850 12.253 504 HA VAL 29 HA VAL 29 187.581 -1.952 10.251 505 HB VAL 29 HB VAL 29 185.648 -1.048 11.491 506 HG11 VAL 29 HG11 VAL 29 185.561 -2.787 13.217 507 HG12 VAL 29 HG12 VAL 29 187.297 -3.043 13.041 508 HG13 VAL 29 HG13 VAL 29 186.211 -3.406 11.699 509 HG21 VAL 29 HG21 VAL 29 185.898 -0.423 13.849 510 HG22 VAL 29 HG22 VAL 29 186.800 0.661 12.790 511 HG23 VAL 29 HG23 VAL 29 187.648 -0.587 13.703 512 H ALA 30 HN ALA 30 186.632 -0.455 8.888 513 HA ALA 30 HA ALA 30 187.805 2.238 9.005 514 HB1 ALA 30 HB1 ALA 30 186.579 0.806 6.649 515 HB2 ALA 30 HB2 ALA 30 188.306 0.919 6.994 516 HB3 ALA 30 HB3 ALA 30 187.384 2.374 6.618 517 H GLN 31 HN GLN 31 186.498 4.069 8.490 518 HA GLN 31 HA GLN 31 183.616 3.734 8.446 519 HB2 GLN 31 HB2 GLN 31 185.027 5.188 10.688 520 HB3 GLN 31 HB1 GLN 31 183.302 5.302 10.365 521 HG2 GLN 31 HG2 GLN 31 183.102 2.875 10.731 522 HG3 GLN 31 HG1 GLN 31 184.818 2.817 11.130 523 HE21 GLN 31 HE21 GLN 31 184.415 2.067 13.204 524 HE22 GLN 31 HE22 GLN 31 183.767 3.082 14.444 525 H TRP 32 HN TRP 32 182.560 5.409 7.473 526 HA TRP 32 HA TRP 32 183.869 7.952 7.055 527 HB2 TRP 32 HB2 TRP 32 183.719 7.838 4.588 528 HB3 TRP 32 HB1 TRP 32 184.850 6.658 5.243 529 HD1 TRP 32 HD1 TRP 32 181.642 6.936 3.260 530 HE1 TRP 32 HE1 TRP 32 180.939 4.596 2.450 531 HE3 TRP 32 HE3 TRP 32 184.946 4.115 5.958 532 HZ2 TRP 32 HZ2 TRP 32 181.685 1.911 2.897 533 HZ3 TRP 32 HZ3 TRP 32 184.884 1.668 5.709 534 HH2 TRP 32 HH2 TRP 32 183.287 0.590 4.211 535 H ASP 33 HN ASP 33 182.428 9.572 6.831 536 HA ASP 33 HA ASP 33 179.720 9.151 7.385 537 HB2 ASP 33 HB2 ASP 33 181.039 11.563 6.120 538 HB3 ASP 33 HB1 ASP 33 179.424 11.539 6.825 539 H THR 34 HN THR 34 177.850 9.385 6.105 540 HA THR 34 HA THR 34 178.124 9.502 3.218 541 HB THR 34 HB THR 34 176.902 7.410 2.817 542 HG1 THR 34 HG1 THR 34 176.021 6.374 4.435 543 HG21 THR 34 HG21 THR 34 179.382 6.994 4.490 544 HG22 THR 34 HG22 THR 34 179.357 7.387 2.772 545 HG23 THR 34 HG23 THR 34 178.705 5.848 3.333 546 H ALA 35 HN ALA 35 175.757 8.972 2.284 547 HA ALA 35 HA ALA 35 173.854 10.500 3.939 548 HB1 ALA 35 HB1 ALA 35 172.936 11.446 1.883 549 HB2 ALA 35 HB2 ALA 35 174.128 10.559 0.935 550 HB3 ALA 35 HB3 ALA 35 174.651 11.824 2.046 551 H VAL 36 HN VAL 36 171.987 9.521 4.380 552 HA VAL 36 HA VAL 36 171.135 7.278 2.671 553 HB VAL 36 HB VAL 36 170.871 7.361 5.679 554 HG11 VAL 36 HG11 VAL 36 170.178 5.020 5.436 555 HG12 VAL 36 HG12 VAL 36 170.273 5.181 3.682 556 HG13 VAL 36 HG13 VAL 36 169.088 6.118 4.591 557 HG21 VAL 36 HG21 VAL 36 172.561 5.581 5.700 558 HG22 VAL 36 HG22 VAL 36 173.203 7.087 5.045 559 HG23 VAL 36 HG23 VAL 36 172.769 5.767 3.958 560 H PHE 37 HN PHE 37 169.045 7.271 2.078 561 HA PHE 37 HA PHE 37 167.080 8.811 3.564 562 HB2 PHE 37 HB2 PHE 37 166.344 10.084 1.599 563 HB3 PHE 37 HB1 PHE 37 168.013 10.464 2.010 564 HD1 PHE 37 HD1 PHE 37 165.792 8.923 -0.434 565 HD2 PHE 37 HD2 PHE 37 169.842 9.747 0.581 566 HE1 PHE 37 HE1 PHE 37 166.473 8.387 -2.736 567 HE2 PHE 37 HE2 PHE 37 170.531 9.213 -1.720 568 HZ PHE 37 HZ PHE 37 168.845 8.533 -3.382 569 H HIS 38 HN HIS 38 164.874 8.396 2.846 570 HA HIS 38 HA HIS 38 164.585 5.647 1.973 571 HB2 HIS 38 HB2 HIS 38 163.285 6.474 3.894 572 HB3 HIS 38 HB1 HIS 38 162.495 7.652 2.851 573 HD1 HIS 38 HD1 HIS 38 160.575 6.831 1.390 574 HD2 HIS 38 HD2 HIS 38 162.456 3.788 3.503 575 HE1 HIS 38 HE1 HIS 38 159.097 4.815 1.124 576 HE2 HIS 38 HE2 HIS 38 160.254 2.983 2.410 577 H THR 39 HN THR 39 164.156 5.048 -0.040 578 HA THR 39 HA THR 39 163.591 7.055 -2.052 579 HB THR 39 HB THR 39 163.839 5.219 -3.672 580 HG1 THR 39 HG1 THR 39 164.370 3.575 -1.405 581 HG21 THR 39 HG21 THR 39 166.204 4.723 -3.249 582 HG22 THR 39 HG22 THR 39 166.024 5.288 -1.587 583 HG23 THR 39 HG23 THR 39 165.835 6.417 -2.929 584 H THR 40 HN THR 40 161.935 6.526 -3.760 585 HA THR 40 HA THR 40 159.604 5.084 -2.753 586 HB THR 40 HB THR 40 158.082 6.950 -3.271 587 HG1 THR 40 HG1 THR 40 158.814 8.805 -4.062 588 HG21 THR 40 HG21 THR 40 158.619 8.360 -1.335 589 HG22 THR 40 HG22 THR 40 160.243 7.674 -1.288 590 HG23 THR 40 HG23 THR 40 158.844 6.649 -0.967 591 H1 ALA 1 HT1 ALA 1 171.710 1.752 -15.797 592 H2 ALA 1 HT2 ALA 1 171.919 0.926 -14.338 593 H3 ALA 1 HT3 ALA 1 172.936 0.597 -15.646 594 HA ALA 1 HA ALA 1 173.895 2.760 -15.549 595 HB1 ALA 1 HB1 ALA 1 171.686 3.224 -13.626 596 HB2 ALA 1 HB2 ALA 1 172.328 4.270 -14.892 597 HB3 ALA 1 HB3 ALA 1 173.205 4.085 -13.372 598 HA PRO 2 HA PRO 2 175.702 1.625 -11.284 599 HB2 PRO 2 HB2 PRO 2 174.234 0.192 -9.513 600 HB3 PRO 2 HB1 PRO 2 174.153 1.957 -9.611 601 HG2 PRO 2 HG2 PRO 2 172.283 -0.072 -10.748 602 HG3 PRO 2 HG1 PRO 2 171.918 1.459 -9.927 603 HD2 PRO 2 HD2 PRO 2 171.850 1.205 -12.616 604 HD3 PRO 2 HD1 PRO 2 172.298 2.718 -11.808 605 H VAL 3 HN VAL 3 176.819 -0.249 -10.460 606 HA VAL 3 HA VAL 3 176.080 -2.816 -11.647 607 HB VAL 3 HB VAL 3 178.391 -3.213 -12.421 608 HG11 VAL 3 HG11 VAL 3 178.276 -1.798 -14.420 609 HG12 VAL 3 HG12 VAL 3 177.067 -0.786 -13.629 610 HG13 VAL 3 HG13 VAL 3 176.699 -2.470 -14.005 611 HG21 VAL 3 HG21 VAL 3 179.572 -1.663 -10.978 612 HG22 VAL 3 HG22 VAL 3 178.783 -0.294 -11.762 613 HG23 VAL 3 HG23 VAL 3 179.919 -1.295 -12.667 614 HA PRO 4 HA PRO 4 177.084 -4.178 -7.522 615 HB2 PRO 4 HB2 PRO 4 177.580 -6.775 -8.879 616 HB3 PRO 4 HB1 PRO 4 176.507 -6.398 -7.523 617 HG2 PRO 4 HG2 PRO 4 175.512 -6.869 -9.940 618 HG3 PRO 4 HG1 PRO 4 174.811 -5.629 -8.882 619 HD2 PRO 4 HD2 PRO 4 176.574 -5.296 -11.262 620 HD3 PRO 4 HD1 PRO 4 175.213 -4.298 -10.712 621 H VAL 5 HN VAL 5 178.898 -4.804 -6.320 622 HA VAL 5 HA VAL 5 181.431 -4.426 -7.697 623 HB VAL 5 HB VAL 5 180.922 -4.796 -4.741 624 HG11 VAL 5 HG11 VAL 5 183.213 -5.291 -5.387 625 HG12 VAL 5 HG12 VAL 5 183.140 -3.781 -4.478 626 HG13 VAL 5 HG13 VAL 5 183.325 -3.746 -6.231 627 HG21 VAL 5 HG21 VAL 5 181.233 -2.255 -6.337 628 HG22 VAL 5 HG22 VAL 5 181.128 -2.359 -4.579 629 HG23 VAL 5 HG23 VAL 5 179.750 -2.832 -5.574 630 H THR 6 HN THR 6 182.812 -6.006 -8.199 631 HA THR 6 HA THR 6 182.102 -8.746 -7.585 632 HB THR 6 HB THR 6 183.980 -9.355 -9.056 633 HG1 THR 6 HG1 THR 6 185.443 -7.916 -9.621 634 HG21 THR 6 HG21 THR 6 182.205 -7.202 -10.211 635 HG22 THR 6 HG22 THR 6 181.791 -8.909 -10.053 636 HG23 THR 6 HG23 THR 6 183.091 -8.412 -11.138 637 H LYS 7 HN LYS 7 184.589 -6.422 -6.728 638 HA LYS 7 HA LYS 7 185.343 -8.056 -4.456 639 HB2 LYS 7 HB2 LYS 7 186.832 -8.872 -6.237 640 HB3 LYS 7 HB1 LYS 7 187.384 -7.229 -6.531 641 HG2 LYS 7 HG2 LYS 7 188.436 -7.120 -4.397 642 HG3 LYS 7 HG1 LYS 7 187.714 -8.653 -3.902 643 HD2 LYS 7 HD2 LYS 7 190.054 -8.949 -4.529 644 HD3 LYS 7 HD1 LYS 7 188.990 -9.812 -5.640 645 HE2 LYS 7 HE2 LYS 7 190.755 -8.669 -6.860 646 HE3 LYS 7 HE1 LYS 7 189.182 -7.971 -7.245 647 HZ1 LYS 7 HZ1 LYS 7 191.161 -6.839 -5.341 648 HZ2 LYS 7 HZ2 LYS 7 189.647 -6.173 -5.693 649 HZ3 LYS 7 HZ3 LYS 7 190.835 -6.255 -6.895 650 H LEU 8 HN LEU 8 185.377 -6.723 -2.776 651 HA LEU 8 HA LEU 8 186.171 -3.920 -3.224 652 HB2 LEU 8 HB2 LEU 8 183.745 -4.431 -2.605 653 HB3 LEU 8 HB1 LEU 8 184.354 -4.882 -1.026 654 HG LEU 8 HG LEU 8 183.455 -2.596 -1.061 655 HD11 LEU 8 HD11 LEU 8 186.440 -2.515 -0.706 656 HD12 LEU 8 HD12 LEU 8 185.345 -3.281 0.443 657 HD13 LEU 8 HD13 LEU 8 185.220 -1.552 0.126 658 HD21 LEU 8 HD21 LEU 8 185.703 -2.011 -2.982 659 HD22 LEU 8 HD22 LEU 8 184.588 -0.836 -2.286 660 HD23 LEU 8 HD23 LEU 8 183.990 -2.069 -3.395 661 H VAL 9 HN VAL 9 188.088 -3.480 -2.378 662 HA VAL 9 HA VAL 9 188.841 -4.774 0.163 663 HB VAL 9 HB VAL 9 191.220 -4.492 -0.566 664 HG11 VAL 9 HG11 VAL 9 189.410 -6.264 -2.194 665 HG12 VAL 9 HG12 VAL 9 190.244 -6.665 -0.693 666 HG13 VAL 9 HG13 VAL 9 191.166 -6.408 -2.173 667 HG21 VAL 9 HG21 VAL 9 190.887 -2.771 -2.253 668 HG22 VAL 9 HG22 VAL 9 189.951 -3.895 -3.237 669 HG23 VAL 9 HG23 VAL 9 191.668 -4.186 -2.959 670 H CYS 10 HN CYS 10 190.648 -3.482 1.286 671 HA CYS 10 HA CYS 10 190.375 -0.600 0.906 672 HB2 CYS 10 HB2 CYS 10 188.627 -1.185 2.525 673 HB3 CYS 10 HB1 CYS 10 189.823 -1.982 3.540 674 HG CYS 10 HG CYS 10 188.917 0.615 4.494 675 H ASP 11 HN ASP 11 192.019 0.641 1.981 676 HA ASP 11 HA ASP 11 194.372 -0.957 2.753 677 HB2 ASP 11 HB2 ASP 11 194.671 0.052 0.528 678 HB3 ASP 11 HB1 ASP 11 194.346 1.644 1.206 679 H GLY 12 HN GLY 12 194.920 -0.644 4.801 680 HA2 GLY 12 HA2 GLY 12 193.881 1.595 6.293 681 HA3 GLY 12 HA1 GLY 12 194.876 0.292 6.923 682 H ASP 13 HN ASP 13 196.905 0.765 4.782 683 HA ASP 13 HA ASP 13 198.636 2.426 6.218 684 HB2 ASP 13 HB2 ASP 13 198.747 1.659 3.292 685 HB3 ASP 13 HB1 ASP 13 200.082 2.342 4.217 686 H THR 14 HN THR 14 196.421 3.119 3.583 687 HA THR 14 HA THR 14 197.127 5.973 3.813 688 HB THR 14 HB THR 14 196.340 6.265 1.498 689 HG1 THR 14 HG1 THR 14 195.799 4.467 0.268 690 HG21 THR 14 HG21 THR 14 198.720 5.871 1.905 691 HG22 THR 14 HG22 THR 14 198.216 5.150 0.376 692 HG23 THR 14 HG23 THR 14 198.458 4.131 1.795 693 H TYR 15 HN TYR 15 194.821 3.786 4.652 694 HA TYR 15 HA TYR 15 192.658 3.934 5.336 695 HB2 TYR 15 HB2 TYR 15 193.089 6.922 5.143 696 HB3 TYR 15 HB1 TYR 15 191.830 6.103 6.062 697 HD1 TYR 15 HD1 TYR 15 195.072 7.511 6.193 698 HD2 TYR 15 HD2 TYR 15 192.659 4.454 7.905 699 HE1 TYR 15 HE1 TYR 15 196.560 7.439 8.148 700 HE2 TYR 15 HE2 TYR 15 194.140 4.375 9.868 701 HH TYR 15 HH TYR 15 196.466 6.755 10.512 702 H LYS 16 HN LYS 16 193.436 4.085 2.402 703 HA LYS 16 HA LYS 16 191.008 5.344 1.334 704 HB2 LYS 16 HB2 LYS 16 193.500 4.397 -0.093 705 HB3 LYS 16 HB1 LYS 16 192.115 5.155 -0.867 706 HG2 LYS 16 HG2 LYS 16 192.511 7.197 0.411 707 HG3 LYS 16 HG1 LYS 16 193.898 6.437 1.193 708 HD2 LYS 16 HD2 LYS 16 194.993 6.195 -0.979 709 HD3 LYS 16 HD1 LYS 16 193.602 6.939 -1.769 710 HE2 LYS 16 HE2 LYS 16 193.989 8.999 -0.506 711 HE3 LYS 16 HE1 LYS 16 195.377 8.254 0.287 712 HZ1 LYS 16 HZ1 LYS 16 196.451 8.046 -1.869 713 HZ2 LYS 16 HZ2 LYS 16 196.060 9.661 -1.552 714 HZ3 LYS 16 HZ3 LYS 16 195.118 8.761 -2.630 715 H CYS 17 HN CYS 17 189.380 4.152 0.580 716 HA CYS 17 HA CYS 17 189.729 1.243 0.497 717 HB2 CYS 17 HB2 CYS 17 187.927 2.100 1.928 718 HB3 CYS 17 HB1 CYS 17 187.202 2.907 0.542 719 HG CYS 17 HG CYS 17 187.645 -0.372 0.077 720 H THR 18 HN THR 18 189.992 0.288 -1.401 721 HA THR 18 HA THR 18 189.210 1.706 -3.840 722 HB THR 18 HB THR 18 190.897 -0.789 -3.553 723 HG1 THR 18 HG1 THR 18 192.637 0.666 -3.924 724 HG21 THR 18 HG21 THR 18 189.849 -0.614 -5.745 725 HG22 THR 18 HG22 THR 18 191.578 -0.290 -5.867 726 HG23 THR 18 HG23 THR 18 190.426 1.044 -5.907 727 H ALA 19 HN ALA 19 188.066 0.625 -5.530 728 HA ALA 19 HA ALA 19 186.644 -1.822 -4.782 729 HB1 ALA 19 HB1 ALA 19 185.219 0.071 -4.101 730 HB2 ALA 19 HB2 ALA 19 184.487 -0.906 -5.374 731 HB3 ALA 19 HB3 ALA 19 185.223 0.648 -5.768 732 H TYR 20 HN TYR 20 185.801 -3.006 -6.544 733 HA TYR 20 HA TYR 20 186.844 -2.170 -9.171 734 HB2 TYR 20 HB2 TYR 20 186.645 -4.962 -8.025 735 HB3 TYR 20 HB1 TYR 20 187.110 -4.592 -9.682 736 HD1 TYR 20 HD1 TYR 20 189.343 -4.121 -10.211 737 HD2 TYR 20 HD2 TYR 20 188.103 -4.034 -6.143 738 HE1 TYR 20 HE1 TYR 20 191.689 -3.899 -9.508 739 HE2 TYR 20 HE2 TYR 20 190.444 -3.811 -5.428 740 HH TYR 20 HH TYR 20 192.691 -4.314 -6.295 741 H LEU 21 HN LEU 21 185.278 -1.706 -10.549 742 HA LEU 21 HA LEU 21 182.575 -2.617 -10.102 743 HB2 LEU 21 HB2 LEU 21 183.712 -0.975 -12.367 744 HB3 LEU 21 HB1 LEU 21 182.010 -1.208 -12.017 745 HG LEU 21 HG LEU 21 183.993 0.247 -10.266 746 HD11 LEU 21 HD11 LEU 21 181.693 1.253 -11.936 747 HD12 LEU 21 HD12 LEU 21 183.408 1.493 -12.271 748 HD13 LEU 21 HD13 LEU 21 182.677 2.228 -10.843 749 HD21 LEU 21 HD21 LEU 21 181.026 -0.165 -9.918 750 HD22 LEU 21 HD22 LEU 21 182.063 0.830 -8.896 751 HD23 LEU 21 HD23 LEU 21 182.293 -0.917 -8.950 752 H ASP 22 HN ASP 22 181.292 -3.681 -11.732 753 HA ASP 22 HA ASP 22 182.839 -5.713 -13.156 754 HB2 ASP 22 HB2 ASP 22 181.025 -6.435 -11.628 755 HB3 ASP 22 HB1 ASP 22 179.862 -5.571 -12.629 756 H TYR 23 HN TYR 23 182.290 -2.825 -14.025 757 HA TYR 23 HA TYR 23 180.711 -3.170 -16.428 758 HB2 TYR 23 HB2 TYR 23 180.552 -1.068 -15.188 759 HB3 TYR 23 HB1 TYR 23 182.279 -0.793 -15.400 760 HD1 TYR 23 HD1 TYR 23 179.016 -0.863 -17.101 761 HD2 TYR 23 HD2 TYR 23 183.155 0.048 -17.469 762 HE1 TYR 23 HE1 TYR 23 178.559 0.333 -19.200 763 HE2 TYR 23 HE2 TYR 23 182.710 1.248 -19.569 764 HH TYR 23 HH TYR 23 181.007 1.283 -21.345 765 H GLY 24 HN GLY 24 181.548 -4.014 -18.211 766 HA2 GLY 24 HA2 GLY 24 183.001 -4.130 -20.033 767 HA3 GLY 24 HA1 GLY 24 184.156 -3.147 -19.145 768 H ASP 25 HN ASP 25 185.994 -4.223 -18.924 769 HA ASP 25 HA ASP 25 185.959 -7.128 -18.671 770 HB2 ASP 25 HB2 ASP 25 188.276 -5.206 -18.979 771 HB3 ASP 25 HB1 ASP 25 188.404 -6.963 -18.974 772 H GLY 26 HN GLY 26 186.667 -4.261 -16.806 773 HA2 GLY 26 HA2 GLY 26 186.284 -4.615 -14.360 774 HA3 GLY 26 HA1 GLY 26 187.366 -5.989 -14.513 775 H LYS 27 HN LYS 27 187.721 -2.786 -15.970 776 HA LYS 27 HA LYS 27 190.301 -2.540 -14.596 777 HB2 LYS 27 HB2 LYS 27 189.216 -1.076 -17.009 778 HB3 LYS 27 HB1 LYS 27 190.808 -0.821 -16.307 779 HG2 LYS 27 HG2 LYS 27 189.812 -3.391 -17.518 780 HG3 LYS 27 HG1 LYS 27 190.913 -2.242 -18.281 781 HD2 LYS 27 HD2 LYS 27 192.546 -2.623 -16.501 782 HD3 LYS 27 HD1 LYS 27 191.441 -3.759 -15.725 783 HE2 LYS 27 HE2 LYS 27 192.648 -4.059 -18.473 784 HE3 LYS 27 HE1 LYS 27 193.158 -4.921 -17.023 785 HZ1 LYS 27 HZ1 LYS 27 190.970 -5.940 -16.903 786 HZ2 LYS 27 HZ2 LYS 27 191.700 -6.275 -18.390 787 HZ3 LYS 27 HZ3 LYS 27 190.479 -5.109 -18.294 788 H TRP 28 HN TRP 28 187.208 -0.968 -15.042 789 HA TRP 28 HA TRP 28 187.853 1.509 -13.849 790 HB2 TRP 28 HB2 TRP 28 185.182 0.096 -14.021 791 HB3 TRP 28 HB1 TRP 28 185.412 1.792 -13.603 792 HD1 TRP 28 HD1 TRP 28 185.369 -0.583 -16.573 793 HE1 TRP 28 HE1 TRP 28 185.425 0.794 -18.747 794 HE3 TRP 28 HE3 TRP 28 186.281 4.038 -14.584 795 HZ2 TRP 28 HZ2 TRP 28 185.807 3.484 -19.517 796 HZ3 TRP 28 HZ3 TRP 28 186.478 5.959 -16.107 797 HH2 TRP 28 HH2 TRP 28 186.247 5.687 -18.522 798 H VAL 29 HN VAL 29 188.213 2.027 -11.794 799 HA VAL 29 HA VAL 29 187.090 0.335 -9.675 800 HB VAL 29 HB VAL 29 189.203 0.469 -8.408 801 HG11 VAL 29 HG11 VAL 29 190.443 -1.188 -9.723 802 HG12 VAL 29 HG12 VAL 29 189.465 -0.792 -11.136 803 HG13 VAL 29 HG13 VAL 29 188.711 -1.522 -9.718 804 HG21 VAL 29 HG21 VAL 29 191.267 1.135 -9.552 805 HG22 VAL 29 HG22 VAL 29 190.129 2.476 -9.433 806 HG23 VAL 29 HG23 VAL 29 190.326 1.621 -10.962 807 H ALA 30 HN ALA 30 186.587 1.387 -7.768 808 HA ALA 30 HA ALA 30 186.645 4.321 -7.923 809 HB1 ALA 30 HB1 ALA 30 184.875 2.548 -6.244 810 HB2 ALA 30 HB2 ALA 30 184.423 3.283 -7.782 811 HB3 ALA 30 HB3 ALA 30 184.766 4.302 -6.385 812 H GLN 31 HN GLN 31 187.105 5.552 -6.026 813 HA GLN 31 HA GLN 31 188.301 4.189 -3.760 814 HB2 GLN 31 HB2 GLN 31 189.890 6.051 -5.531 815 HB3 GLN 31 HB1 GLN 31 190.402 5.530 -3.932 816 HG2 GLN 31 HG2 GLN 31 190.380 3.196 -4.717 817 HG3 GLN 31 HG1 GLN 31 189.949 3.766 -6.328 818 HE21 GLN 31 HE21 GLN 31 191.812 2.915 -7.239 819 HE22 GLN 31 HE22 GLN 31 193.369 3.619 -6.986 820 H TRP 32 HN TRP 32 188.220 5.366 -1.896 821 HA TRP 32 HA TRP 32 187.721 8.213 -1.954 822 HB2 TRP 32 HB2 TRP 32 185.608 8.060 -0.677 823 HB3 TRP 32 HB1 TRP 32 185.463 7.372 -2.291 824 HD1 TRP 32 HD1 TRP 32 185.216 6.467 1.372 825 HE1 TRP 32 HE1 TRP 32 184.405 4.033 1.592 826 HE3 TRP 32 HE3 TRP 32 185.591 5.037 -3.523 827 HZ2 TRP 32 HZ2 TRP 32 183.982 1.803 -0.086 828 HZ3 TRP 32 HZ3 TRP 32 184.965 2.737 -4.131 829 HH2 TRP 32 HH2 TRP 32 184.178 1.154 -2.447 830 H ASP 33 HN ASP 33 188.460 9.196 -0.155 831 HA ASP 33 HA ASP 33 190.085 7.816 1.654 832 HB2 ASP 33 HB2 ASP 33 188.816 10.547 1.956 833 HB3 ASP 33 HB1 ASP 33 190.153 9.934 2.925 834 H THR 34 HN THR 34 189.844 7.356 3.871 835 HA THR 34 HA THR 34 187.214 7.572 5.078 836 HB THR 34 HB THR 34 187.037 5.182 5.603 837 HG1 THR 34 HG1 THR 34 188.665 3.890 5.213 838 HG21 THR 34 HG21 THR 34 187.317 5.693 2.640 839 HG22 THR 34 HG22 THR 34 185.893 6.056 3.615 840 HG23 THR 34 HG23 THR 34 186.401 4.383 3.386 841 H ALA 35 HN ALA 35 187.363 6.220 7.291 842 HA ALA 35 HA ALA 35 189.938 6.944 8.533 843 HB1 ALA 35 HB1 ALA 35 188.719 7.494 10.575 844 HB2 ALA 35 HB2 ALA 35 187.195 7.105 9.778 845 HB3 ALA 35 HB3 ALA 35 188.159 8.472 9.218 846 H VAL 36 HN VAL 36 190.987 5.350 9.533 847 HA VAL 36 HA VAL 36 189.473 2.957 10.338 848 HB VAL 36 HB VAL 36 192.240 2.928 9.128 849 HG11 VAL 36 HG11 VAL 36 191.920 0.496 9.067 850 HG12 VAL 36 HG12 VAL 36 190.371 0.686 9.887 851 HG13 VAL 36 HG13 VAL 36 191.866 1.124 10.714 852 HG21 VAL 36 HG21 VAL 36 191.183 1.886 7.174 853 HG22 VAL 36 HG22 VAL 36 190.588 3.525 7.445 854 HG23 VAL 36 HG23 VAL 36 189.598 2.140 7.905 855 H PHE 37 HN PHE 37 189.890 2.189 12.329 856 HA PHE 37 HA PHE 37 192.347 2.903 13.705 857 HB2 PHE 37 HB2 PHE 37 191.183 3.825 15.659 858 HB3 PHE 37 HB1 PHE 37 190.862 4.787 14.220 859 HD1 PHE 37 HD1 PHE 37 189.444 2.549 16.721 860 HD2 PHE 37 HD2 PHE 37 188.663 4.790 13.189 861 HE1 PHE 37 HE1 PHE 37 187.025 2.305 17.105 862 HE2 PHE 37 HE2 PHE 37 186.243 4.551 13.567 863 HZ PHE 37 HZ PHE 37 185.422 3.307 15.528 864 H HIS 38 HN HIS 38 192.633 1.713 15.718 865 HA HIS 38 HA HIS 38 191.507 -0.949 15.502 866 HB2 HIS 38 HB2 HIS 38 193.921 -0.658 15.899 867 HB3 HIS 38 HB1 HIS 38 193.572 0.153 17.422 868 HD1 HIS 38 HD1 HIS 38 193.007 -1.306 19.432 869 HD2 HIS 38 HD2 HIS 38 193.472 -3.461 15.910 870 HE1 HIS 38 HE1 HIS 38 193.078 -3.722 20.127 871 HE2 HIS 38 HE2 HIS 38 193.359 -5.009 17.978 872 H THR 39 HN THR 39 189.831 -1.658 16.635 873 HA THR 39 HA THR 39 188.679 0.013 18.703 874 HB THR 39 HB THR 39 186.821 -1.603 18.699 875 HG1 THR 39 HG1 THR 39 188.277 -2.945 16.648 876 HG21 THR 39 HG21 THR 39 186.044 -1.204 16.407 877 HG22 THR 39 HG22 THR 39 187.680 -0.748 15.932 878 HG23 THR 39 HG23 THR 39 186.791 0.240 17.092 879 H THR 40 HN THR 40 187.832 -1.078 20.713 880 HA THR 40 HA THR 40 189.503 -3.274 21.670 881 HB THR 40 HB THR 40 190.065 -2.091 23.755 882 HG1 THR 40 HG1 THR 40 189.375 -0.094 24.129 883 HG21 THR 40 HG21 THR 40 191.771 -0.588 22.830 884 HG22 THR 40 HG22 THR 40 190.961 -0.635 21.264 885 HG23 THR 40 HG23 THR 40 191.687 -2.100 21.925 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 171.086 -0.400 16.786 2 H2 ALA 1 HT2 ALA 1 170.456 -0.546 15.224 3 H3 ALA 1 HT3 ALA 1 171.725 0.531 15.526 4 HA ALA 1 HA ALA 1 173.201 -1.283 16.057 5 HB1 ALA 1 HB1 ALA 1 171.496 -2.799 16.946 6 HB2 ALA 1 HB2 ALA 1 172.494 -3.587 15.724 7 HB3 ALA 1 HB3 ALA 1 170.867 -3.044 15.317 8 HA PRO 2 HA PRO 2 174.306 -1.076 11.795 9 HB2 PRO 2 HB2 PRO 2 176.069 -3.140 11.592 10 HB3 PRO 2 HB1 PRO 2 176.455 -1.616 12.406 11 HG2 PRO 2 HG2 PRO 2 175.628 -4.222 13.599 12 HG3 PRO 2 HG1 PRO 2 176.873 -3.080 14.143 13 HD2 PRO 2 HD2 PRO 2 174.435 -3.208 15.294 14 HD3 PRO 2 HD1 PRO 2 175.350 -1.692 15.162 15 H VAL 3 HN VAL 3 174.064 -2.111 9.759 16 HA VAL 3 HA VAL 3 172.657 -4.683 9.772 17 HB VAL 3 HB VAL 3 171.046 -3.854 8.097 18 HG11 VAL 3 HG11 VAL 3 169.652 -2.559 9.645 19 HG12 VAL 3 HG12 VAL 3 171.050 -2.318 10.693 20 HG13 VAL 3 HG13 VAL 3 170.405 -3.940 10.443 21 HG21 VAL 3 HG21 VAL 3 172.314 -1.183 8.692 22 HG22 VAL 3 HG22 VAL 3 170.778 -1.389 7.850 23 HG23 VAL 3 HG23 VAL 3 172.263 -2.021 7.140 24 HA PRO 4 HA PRO 4 175.757 -5.486 6.643 25 HB2 PRO 4 HB2 PRO 4 173.923 -7.706 5.934 26 HB3 PRO 4 HB1 PRO 4 175.637 -7.756 6.365 27 HG2 PRO 4 HG2 PRO 4 173.786 -8.602 8.076 28 HG3 PRO 4 HG1 PRO 4 175.227 -7.725 8.632 29 HD2 PRO 4 HD2 PRO 4 172.427 -6.744 8.318 30 HD3 PRO 4 HD1 PRO 4 173.625 -6.367 9.574 31 H VAL 5 HN VAL 5 175.953 -5.314 4.401 32 HA VAL 5 HA VAL 5 173.701 -4.027 3.087 33 HB VAL 5 HB VAL 5 176.504 -4.479 2.049 34 HG11 VAL 5 HG11 VAL 5 175.953 -2.712 0.448 35 HG12 VAL 5 HG12 VAL 5 174.313 -2.639 1.093 36 HG13 VAL 5 HG13 VAL 5 174.876 -4.098 0.276 37 HG21 VAL 5 HG21 VAL 5 176.908 -2.141 2.654 38 HG22 VAL 5 HG22 VAL 5 176.527 -3.120 4.070 39 HG23 VAL 5 HG23 VAL 5 175.305 -2.053 3.381 40 H THR 6 HN THR 6 172.271 -5.227 2.023 41 HA THR 6 HA THR 6 172.662 -7.917 1.291 42 HB THR 6 HB THR 6 170.558 -7.712 0.027 43 HG1 THR 6 HG1 THR 6 170.568 -4.963 0.758 44 HG21 THR 6 HG21 THR 6 170.499 -6.294 2.694 45 HG22 THR 6 HG22 THR 6 170.455 -8.041 2.447 46 HG23 THR 6 HG23 THR 6 169.115 -7.038 1.892 47 H LYS 7 HN LYS 7 172.772 -4.920 -0.592 48 HA LYS 7 HA LYS 7 174.493 -6.211 -2.541 49 HB2 LYS 7 HB2 LYS 7 172.130 -6.564 -3.329 50 HB3 LYS 7 HB1 LYS 7 171.968 -4.817 -3.439 51 HG2 LYS 7 HG2 LYS 7 173.728 -4.733 -5.102 52 HG3 LYS 7 HG1 LYS 7 173.972 -6.473 -4.958 53 HD2 LYS 7 HD2 LYS 7 172.627 -5.936 -6.922 54 HD3 LYS 7 HD1 LYS 7 171.690 -6.861 -5.748 55 HE2 LYS 7 HE2 LYS 7 170.368 -5.036 -6.670 56 HE3 LYS 7 HE1 LYS 7 170.654 -4.798 -4.947 57 HZ1 LYS 7 HZ1 LYS 7 172.201 -3.491 -7.118 58 HZ2 LYS 7 HZ2 LYS 7 172.376 -3.216 -5.458 59 HZ3 LYS 7 HZ3 LYS 7 170.951 -2.759 -6.244 60 H LEU 8 HN LEU 8 176.050 -4.851 -3.187 61 HA LEU 8 HA LEU 8 175.662 -1.977 -2.650 62 HB2 LEU 8 HB2 LEU 8 177.350 -3.299 -1.253 63 HB3 LEU 8 HB1 LEU 8 178.315 -3.394 -2.712 64 HG LEU 8 HG LEU 8 179.074 -1.601 -1.225 65 HD11 LEU 8 HD11 LEU 8 177.828 -0.400 -3.683 66 HD12 LEU 8 HD12 LEU 8 179.249 -1.442 -3.728 67 HD13 LEU 8 HD13 LEU 8 179.308 0.092 -2.861 68 HD21 LEU 8 HD21 LEU 8 176.372 -0.367 -1.729 69 HD22 LEU 8 HD22 LEU 8 177.704 0.361 -0.835 70 HD23 LEU 8 HD23 LEU 8 176.905 -1.080 -0.206 71 H VAL 9 HN VAL 9 175.451 -0.840 -4.457 72 HA VAL 9 HA VAL 9 176.920 -1.712 -6.858 73 HB VAL 9 HB VAL 9 175.256 -0.464 -8.177 74 HG11 VAL 9 HG11 VAL 9 174.014 -2.474 -6.305 75 HG12 VAL 9 HG12 VAL 9 174.953 -2.859 -7.746 76 HG13 VAL 9 HG13 VAL 9 173.409 -2.019 -7.897 77 HG21 VAL 9 HG21 VAL 9 173.195 0.331 -7.103 78 HG22 VAL 9 HG22 VAL 9 174.616 1.199 -6.522 79 HG23 VAL 9 HG23 VAL 9 173.879 -0.054 -5.524 80 H CYS 10 HN CYS 10 177.392 0.163 -8.393 81 HA CYS 10 HA CYS 10 177.990 2.665 -7.013 82 HB2 CYS 10 HB2 CYS 10 180.005 1.297 -6.710 83 HB3 CYS 10 HB1 CYS 10 180.092 1.028 -8.447 84 HG CYS 10 HG CYS 10 180.836 3.832 -6.686 85 H ASP 11 HN ASP 11 177.744 4.408 -8.289 86 HA ASP 11 HA ASP 11 177.098 3.924 -11.106 87 HB2 ASP 11 HB2 ASP 11 176.550 6.339 -9.366 88 HB3 ASP 11 HB1 ASP 11 176.036 6.151 -11.040 89 H GLY 12 HN GLY 12 178.820 4.098 -12.395 90 HA2 GLY 12 HA2 GLY 12 181.087 5.717 -11.776 91 HA3 GLY 12 HA1 GLY 12 180.798 4.869 -13.287 92 H ASP 13 HN ASP 13 178.133 6.297 -13.487 93 HA ASP 13 HA ASP 13 178.898 8.334 -15.222 94 HB2 ASP 13 HB2 ASP 13 176.292 8.036 -13.715 95 HB3 ASP 13 HB1 ASP 13 176.544 9.075 -15.115 96 H THR 14 HN THR 14 177.354 8.793 -12.036 97 HA THR 14 HA THR 14 178.505 11.481 -11.922 98 HB THR 14 HB THR 14 176.989 11.858 -10.022 99 HG1 THR 14 HG1 THR 14 175.393 10.143 -9.651 100 HG21 THR 14 HG21 THR 14 175.619 10.668 -12.436 101 HG22 THR 14 HG22 THR 14 176.190 12.328 -12.284 102 HG23 THR 14 HG23 THR 14 174.874 11.751 -11.261 103 H TYR 15 HN TYR 15 179.713 8.635 -11.213 104 HA TYR 15 HA TYR 15 181.277 7.832 -9.773 105 HB2 TYR 15 HB2 TYR 15 181.581 10.725 -8.944 106 HB3 TYR 15 HB1 TYR 15 182.754 9.436 -8.693 107 HD1 TYR 15 HD1 TYR 15 183.786 8.347 -10.755 108 HD2 TYR 15 HD2 TYR 15 181.594 11.989 -10.918 109 HE1 TYR 15 HE1 TYR 15 184.824 8.869 -12.923 110 HE2 TYR 15 HE2 TYR 15 182.625 12.521 -13.085 111 HH TYR 15 HH TYR 15 184.356 10.241 -14.907 112 H LYS 16 HN LYS 16 178.414 8.359 -8.880 113 HA LYS 16 HA LYS 16 178.803 8.578 -5.988 114 HB2 LYS 16 HB2 LYS 16 176.290 8.551 -7.666 115 HB3 LYS 16 HB1 LYS 16 176.309 8.657 -5.911 116 HG2 LYS 16 HG2 LYS 16 177.553 10.763 -6.061 117 HG3 LYS 16 HG1 LYS 16 177.494 10.660 -7.822 118 HD2 LYS 16 HD2 LYS 16 175.064 10.759 -7.765 119 HD3 LYS 16 HD1 LYS 16 175.091 10.793 -6.001 120 HE2 LYS 16 HE2 LYS 16 176.271 12.882 -7.830 121 HE3 LYS 16 HE1 LYS 16 174.757 13.028 -6.941 122 HZ1 LYS 16 HZ1 LYS 16 177.455 12.728 -5.737 123 HZ2 LYS 16 HZ2 LYS 16 176.006 12.845 -4.873 124 HZ3 LYS 16 HZ3 LYS 16 176.548 14.155 -5.794 125 H CYS 17 HN CYS 17 178.636 6.896 -4.639 126 HA CYS 17 HA CYS 17 178.036 4.274 -5.811 127 HB2 CYS 17 HB2 CYS 17 180.230 4.503 -4.737 128 HB3 CYS 17 HB1 CYS 17 179.452 4.981 -3.233 129 HG CYS 17 HG CYS 17 178.014 2.241 -3.745 130 H THR 18 HN THR 18 176.172 3.310 -5.363 131 HA THR 18 HA THR 18 174.557 4.338 -3.138 132 HB THR 18 HB THR 18 173.687 2.588 -5.447 133 HG1 THR 18 HG1 THR 18 174.344 4.811 -5.967 134 HG21 THR 18 HG21 THR 18 171.415 3.231 -4.746 135 HG22 THR 18 HG22 THR 18 172.095 4.087 -3.362 136 HG23 THR 18 HG23 THR 18 172.263 2.335 -3.486 137 H ALA 19 HN ALA 19 173.442 2.871 -1.742 138 HA ALA 19 HA ALA 19 174.401 0.108 -1.719 139 HB1 ALA 19 HB1 ALA 19 174.566 1.900 0.701 140 HB2 ALA 19 HB2 ALA 19 175.937 1.401 -0.289 141 HB3 ALA 19 HB3 ALA 19 175.021 0.198 0.617 142 H TYR 20 HN TYR 20 173.032 -1.357 -0.705 143 HA TYR 20 HA TYR 20 170.383 -0.282 0.008 144 HB2 TYR 20 HB2 TYR 20 171.117 -2.957 -1.195 145 HB3 TYR 20 HB1 TYR 20 169.496 -2.508 -0.679 146 HD1 TYR 20 HD1 TYR 20 172.165 -1.797 -3.125 147 HD2 TYR 20 HD2 TYR 20 168.111 -1.115 -2.032 148 HE1 TYR 20 HE1 TYR 20 171.741 -0.812 -5.338 149 HE2 TYR 20 HE2 TYR 20 167.675 -0.128 -4.242 150 HH TYR 20 HH TYR 20 169.837 -0.410 -6.840 151 H LEU 21 HN LEU 21 169.990 -0.345 2.109 152 HA LEU 21 HA LEU 21 171.457 -2.124 3.852 153 HB2 LEU 21 HB2 LEU 21 169.275 -0.138 4.491 154 HB3 LEU 21 HB1 LEU 21 170.284 -0.963 5.663 155 HG LEU 21 HG LEU 21 171.222 1.054 3.622 156 HD11 LEU 21 HD11 LEU 21 169.972 2.053 5.456 157 HD12 LEU 21 HD12 LEU 21 171.687 2.446 5.578 158 HD13 LEU 21 HD13 LEU 21 170.990 1.209 6.625 159 HD21 LEU 21 HD21 LEU 21 172.910 -0.659 4.013 160 HD22 LEU 21 HD22 LEU 21 172.762 -0.424 5.754 161 HD23 LEU 21 HD23 LEU 21 173.391 0.873 4.739 162 H ASP 22 HN ASP 22 170.408 -3.509 5.423 163 HA ASP 22 HA ASP 22 168.101 -4.874 4.251 164 HB2 ASP 22 HB2 ASP 22 170.122 -6.200 4.803 165 HB3 ASP 22 HB1 ASP 22 169.930 -5.757 6.496 166 H TYR 23 HN TYR 23 168.101 -2.320 5.930 167 HA TYR 23 HA TYR 23 166.672 -3.110 8.320 168 HB2 TYR 23 HB2 TYR 23 168.184 -1.191 8.409 169 HB3 TYR 23 HB1 TYR 23 167.250 -0.376 7.159 170 HD1 TYR 23 HD1 TYR 23 165.190 0.739 7.681 171 HD2 TYR 23 HD2 TYR 23 167.261 -1.459 10.677 172 HE1 TYR 23 HE1 TYR 23 163.772 1.768 9.405 173 HE2 TYR 23 HE2 TYR 23 165.848 -0.437 12.411 174 HH TYR 23 HH TYR 23 163.015 1.287 11.695 175 H GLY 24 HN GLY 24 164.598 -3.656 8.235 176 HA2 GLY 24 HA2 GLY 24 162.320 -3.308 7.891 177 HA3 GLY 24 HA1 GLY 24 162.711 -1.957 6.838 178 H ASP 25 HN ASP 25 161.821 -2.320 4.918 179 HA ASP 25 HA ASP 25 161.643 -5.034 3.878 180 HB2 ASP 25 HB2 ASP 25 160.575 -2.426 2.775 181 HB3 ASP 25 HB1 ASP 25 160.255 -4.022 2.104 182 H GLY 26 HN GLY 26 163.362 -2.048 3.309 183 HA2 GLY 26 HA2 GLY 26 165.620 -2.455 2.301 184 HA3 GLY 26 HA1 GLY 26 164.762 -3.341 1.050 185 H LYS 27 HN LYS 27 163.857 -0.266 2.552 186 HA LYS 27 HA LYS 27 163.880 0.947 -0.120 187 HB2 LYS 27 HB2 LYS 27 162.512 1.846 2.422 188 HB3 LYS 27 HB1 LYS 27 162.418 2.675 0.875 189 HG2 LYS 27 HG2 LYS 27 161.428 -0.112 1.442 190 HG3 LYS 27 HG1 LYS 27 160.430 1.336 1.290 191 HD2 LYS 27 HD2 LYS 27 161.169 1.605 -1.025 192 HD3 LYS 27 HD1 LYS 27 162.180 0.166 -0.873 193 HE2 LYS 27 HE2 LYS 27 159.176 0.262 -0.614 194 HE3 LYS 27 HE1 LYS 27 160.075 -0.339 -2.008 195 HZ1 LYS 27 HZ1 LYS 27 159.337 -2.147 -0.593 196 HZ2 LYS 27 HZ2 LYS 27 160.155 -1.487 0.731 197 HZ3 LYS 27 HZ3 LYS 27 161.028 -2.061 -0.600 198 H TRP 28 HN TRP 28 165.204 1.238 3.099 199 HA TRP 28 HA TRP 28 166.353 3.821 2.742 200 HB2 TRP 28 HB2 TRP 28 167.091 1.627 4.691 201 HB3 TRP 28 HB1 TRP 28 167.622 3.303 4.788 202 HD1 TRP 28 HD1 TRP 28 164.625 1.067 5.476 203 HE1 TRP 28 HE1 TRP 28 162.862 2.410 6.783 204 HE3 TRP 28 HE3 TRP 28 166.717 5.718 5.120 205 HZ2 TRP 28 HZ2 TRP 28 162.416 5.087 7.561 206 HZ3 TRP 28 HZ3 TRP 28 165.559 7.617 6.174 207 HH2 TRP 28 HH2 TRP 28 163.452 7.306 7.367 208 H VAL 29 HN VAL 29 168.108 4.372 1.637 209 HA VAL 29 HA VAL 29 170.193 2.354 1.170 210 HB VAL 29 HB VAL 29 170.470 3.151 -1.147 211 HG11 VAL 29 HG11 VAL 29 167.705 2.128 -0.511 212 HG12 VAL 29 HG12 VAL 29 169.156 1.148 -0.716 213 HG13 VAL 29 HG13 VAL 29 168.495 2.042 -2.085 214 HG21 VAL 29 HG21 VAL 29 169.518 5.381 -0.893 215 HG22 VAL 29 HG22 VAL 29 167.922 4.680 -0.625 216 HG23 VAL 29 HG23 VAL 29 168.711 4.502 -2.192 217 H ALA 30 HN ALA 30 172.281 3.124 1.078 218 HA ALA 30 HA ALA 30 172.623 5.904 1.956 219 HB1 ALA 30 HB1 ALA 30 174.560 3.597 2.116 220 HB2 ALA 30 HB2 ALA 30 173.534 4.170 3.430 221 HB3 ALA 30 HB3 ALA 30 174.804 5.211 2.786 222 H GLN 31 HN GLN 31 174.295 7.208 1.053 223 HA GLN 31 HA GLN 31 175.537 6.310 -1.416 224 HB2 GLN 31 HB2 GLN 31 173.627 8.647 -1.304 225 HB3 GLN 31 HB1 GLN 31 174.732 8.348 -2.638 226 HG2 GLN 31 HG2 GLN 31 173.642 6.161 -3.000 227 HG3 GLN 31 HG1 GLN 31 172.485 6.565 -1.732 228 HE21 GLN 31 HE21 GLN 31 170.749 6.456 -3.151 229 HE22 GLN 31 HE22 GLN 31 170.452 7.674 -4.339 230 H TRP 32 HN TRP 32 177.352 7.498 -2.015 231 HA TRP 32 HA TRP 32 178.087 9.902 -0.621 232 HB2 TRP 32 HB2 TRP 32 180.145 8.974 0.390 233 HB3 TRP 32 HB1 TRP 32 178.686 8.277 1.087 234 HD1 TRP 32 HD1 TRP 32 181.786 7.362 -0.894 235 HE1 TRP 32 HE1 TRP 32 181.915 4.801 -1.121 236 HE3 TRP 32 HE3 TRP 32 177.162 6.149 0.921 237 HZ2 TRP 32 HZ2 TRP 32 180.276 2.564 -0.603 238 HZ3 TRP 32 HZ3 TRP 32 176.521 3.776 1.021 239 HH2 TRP 32 HH2 TRP 32 178.046 2.021 0.274 240 H ASP 33 HN ASP 33 179.375 11.111 -1.872 241 HA ASP 33 HA ASP 33 179.981 10.382 -4.499 242 HB2 ASP 33 HB2 ASP 33 181.239 12.552 -2.806 243 HB3 ASP 33 HB1 ASP 33 181.353 12.435 -4.560 244 H THR 34 HN THR 34 181.947 9.920 -5.544 245 HA THR 34 HA THR 34 184.286 9.297 -3.945 246 HB THR 34 HB THR 34 184.481 6.991 -4.786 247 HG1 THR 34 HG1 THR 34 183.099 6.233 -6.208 248 HG21 THR 34 HG21 THR 34 181.890 7.501 -3.317 249 HG22 THR 34 HG22 THR 34 183.487 7.379 -2.579 250 HG23 THR 34 HG23 THR 34 182.770 5.972 -3.365 251 H ALA 35 HN ALA 35 185.931 8.117 -5.574 252 HA ALA 35 HA ALA 35 185.876 9.678 -8.075 253 HB1 ALA 35 HB1 ALA 35 187.560 10.535 -6.529 254 HB2 ALA 35 HB2 ALA 35 188.313 9.815 -7.952 255 HB3 ALA 35 HB3 ALA 35 188.289 8.932 -6.425 256 H VAL 36 HN VAL 36 186.133 8.591 -9.933 257 HA VAL 36 HA VAL 36 187.081 5.805 -9.798 258 HB VAL 36 HB VAL 36 184.823 6.776 -11.556 259 HG11 VAL 36 HG11 VAL 36 185.914 4.008 -11.057 260 HG12 VAL 36 HG12 VAL 36 186.098 4.950 -12.537 261 HG13 VAL 36 HG13 VAL 36 184.500 4.394 -12.039 262 HG21 VAL 36 HG21 VAL 36 184.124 6.749 -9.229 263 HG22 VAL 36 HG22 VAL 36 184.730 5.103 -9.048 264 HG23 VAL 36 HG23 VAL 36 183.363 5.427 -10.114 265 H PHE 37 HN PHE 37 188.628 5.299 -11.216 266 HA PHE 37 HA PHE 37 188.918 6.852 -13.672 267 HB2 PHE 37 HB2 PHE 37 191.316 7.210 -13.290 268 HB3 PHE 37 HB1 PHE 37 190.352 7.996 -12.045 269 HD1 PHE 37 HD1 PHE 37 192.710 5.309 -12.778 270 HD2 PHE 37 HD2 PHE 37 190.365 7.186 -9.762 271 HE1 PHE 37 HE1 PHE 37 194.002 4.133 -11.045 272 HE2 PHE 37 HE2 PHE 37 191.655 6.015 -8.025 273 HZ PHE 37 HZ PHE 37 193.477 4.487 -8.667 274 H HIS 38 HN HIS 38 190.117 5.796 -15.309 275 HA HIS 38 HA HIS 38 189.918 2.942 -15.212 276 HB2 HIS 38 HB2 HIS 38 189.451 4.194 -17.275 277 HB3 HIS 38 HB1 HIS 38 191.124 4.740 -17.327 278 HD1 HIS 38 HD1 HIS 38 192.819 3.190 -18.370 279 HD2 HIS 38 HD2 HIS 38 189.114 1.392 -17.812 280 HE1 HIS 38 HE1 HIS 38 192.950 0.990 -19.579 281 HE2 HIS 38 HE2 HIS 38 190.697 -0.082 -19.229 282 H THR 39 HN THR 39 191.482 1.442 -14.952 283 HA THR 39 HA THR 39 194.112 2.410 -14.113 284 HB THR 39 HB THR 39 194.461 0.142 -13.219 285 HG1 THR 39 HG1 THR 39 191.784 -0.349 -14.075 286 HG21 THR 39 HG21 THR 39 191.828 1.373 -12.393 287 HG22 THR 39 HG22 THR 39 193.421 1.831 -11.790 288 HG23 THR 39 HG23 THR 39 192.772 0.228 -11.439 289 H THR 40 HN THR 40 195.913 0.679 -14.627 290 HA THR 40 HA THR 40 195.681 -0.364 -17.340 291 HB THR 40 HB THR 40 197.770 0.715 -18.077 292 HG1 THR 40 HG1 THR 40 198.956 1.726 -16.655 293 HG21 THR 40 HG21 THR 40 196.873 2.975 -18.403 294 HG22 THR 40 HG22 THR 40 195.660 2.671 -17.159 295 HG23 THR 40 HG23 THR 40 195.633 1.747 -18.661 296 H1 ALA 1 HT1 ALA 1 200.550 -4.006 1.147 297 H2 ALA 1 HT2 ALA 1 199.438 -4.393 2.362 298 H3 ALA 1 HT3 ALA 1 199.310 -2.923 1.535 299 HA ALA 1 HA ALA 1 198.810 -4.064 -0.514 300 HB1 ALA 1 HB1 ALA 1 200.110 -6.086 -0.049 301 HB2 ALA 1 HB2 ALA 1 198.458 -6.472 -0.532 302 HB3 ALA 1 HB3 ALA 1 198.924 -6.566 1.166 303 HA PRO 2 HA PRO 2 194.609 -3.524 0.698 304 HB2 PRO 2 HB2 PRO 2 193.296 -4.800 -1.316 305 HB3 PRO 2 HB1 PRO 2 194.087 -3.230 -1.522 306 HG2 PRO 2 HG2 PRO 2 195.076 -5.943 -2.273 307 HG3 PRO 2 HG1 PRO 2 195.182 -4.417 -3.174 308 HD2 PRO 2 HD2 PRO 2 197.269 -5.413 -1.782 309 HD3 PRO 2 HD1 PRO 2 196.990 -3.670 -1.968 310 H VAL 3 HN VAL 3 192.760 -4.600 1.533 311 HA VAL 3 HA VAL 3 192.981 -7.509 1.831 312 HB VAL 3 HB VAL 3 192.375 -7.349 4.218 313 HG11 VAL 3 HG11 VAL 3 194.574 -6.633 5.033 314 HG12 VAL 3 HG12 VAL 3 194.904 -5.885 3.471 315 HG13 VAL 3 HG13 VAL 3 194.706 -7.633 3.586 316 HG21 VAL 3 HG21 VAL 3 192.766 -4.392 3.774 317 HG22 VAL 3 HG22 VAL 3 192.686 -5.157 5.360 318 HG23 VAL 3 HG23 VAL 3 191.290 -5.209 4.285 319 HA PRO 4 HA PRO 4 188.706 -7.163 0.546 320 HB2 PRO 4 HB2 PRO 4 188.546 -9.910 1.655 321 HB3 PRO 4 HB1 PRO 4 188.142 -9.324 0.036 322 HG2 PRO 4 HG2 PRO 4 190.338 -10.766 0.444 323 HG3 PRO 4 HG1 PRO 4 190.321 -9.416 -0.708 324 HD2 PRO 4 HD2 PRO 4 191.471 -9.531 2.043 325 HD3 PRO 4 HD1 PRO 4 192.093 -8.724 0.588 326 H VAL 5 HN VAL 5 186.680 -6.960 1.518 327 HA VAL 5 HA VAL 5 186.754 -6.604 4.403 328 HB VAL 5 HB VAL 5 184.506 -6.013 2.471 329 HG11 VAL 5 HG11 VAL 5 183.639 -4.590 4.265 330 HG12 VAL 5 HG12 VAL 5 184.957 -5.114 5.315 331 HG13 VAL 5 HG13 VAL 5 183.747 -6.277 4.771 332 HG21 VAL 5 HG21 VAL 5 185.239 -3.681 2.614 333 HG22 VAL 5 HG22 VAL 5 186.493 -4.713 1.926 334 HG23 VAL 5 HG23 VAL 5 186.615 -4.176 3.601 335 H THR 6 HN THR 6 186.267 -8.258 5.685 336 HA THR 6 HA THR 6 185.006 -10.628 4.839 337 HB THR 6 HB THR 6 184.878 -11.223 7.225 338 HG1 THR 6 HG1 THR 6 185.967 -8.651 7.764 339 HG21 THR 6 HG21 THR 6 187.478 -9.890 6.457 340 HG22 THR 6 HG22 THR 6 186.994 -11.534 6.040 341 HG23 THR 6 HG23 THR 6 187.277 -11.098 7.726 342 H LYS 7 HN LYS 7 183.798 -7.824 6.632 343 HA LYS 7 HA LYS 7 181.099 -8.421 5.743 344 HB2 LYS 7 HB2 LYS 7 181.415 -9.623 7.929 345 HB3 LYS 7 HB1 LYS 7 181.679 -8.058 8.686 346 HG2 LYS 7 HG2 LYS 7 179.441 -7.357 8.078 347 HG3 LYS 7 HG1 LYS 7 179.172 -8.886 7.242 348 HD2 LYS 7 HD2 LYS 7 178.142 -8.903 9.455 349 HD3 LYS 7 HD1 LYS 7 179.442 -10.092 9.351 350 HE2 LYS 7 HE2 LYS 7 179.529 -8.889 11.467 351 HE3 LYS 7 HE1 LYS 7 180.952 -8.542 10.486 352 HZ1 LYS 7 HZ1 LYS 7 178.565 -6.786 10.693 353 HZ2 LYS 7 HZ2 LYS 7 179.989 -6.446 9.845 354 HZ3 LYS 7 HZ3 LYS 7 180.015 -6.552 11.533 355 H LEU 8 HN LEU 8 180.056 -6.593 5.230 356 HA LEU 8 HA LEU 8 181.175 -4.054 6.227 357 HB2 LEU 8 HB2 LEU 8 181.423 -4.648 3.750 358 HB3 LEU 8 HB1 LEU 8 179.693 -4.403 3.633 359 HG LEU 8 HG LEU 8 180.950 -2.437 2.888 360 HD11 LEU 8 HD11 LEU 8 179.553 -1.808 5.475 361 HD12 LEU 8 HD12 LEU 8 178.702 -2.257 3.998 362 HD13 LEU 8 HD13 LEU 8 179.688 -0.797 4.037 363 HD21 LEU 8 HD21 LEU 8 181.929 -2.285 5.735 364 HD22 LEU 8 HD22 LEU 8 182.234 -1.107 4.458 365 HD23 LEU 8 HD23 LEU 8 182.907 -2.733 4.338 366 H VAL 9 HN VAL 9 179.872 -3.097 7.637 367 HA VAL 9 HA VAL 9 176.959 -3.402 7.308 368 HB VAL 9 HB VAL 9 176.759 -2.866 9.704 369 HG11 VAL 9 HG11 VAL 9 178.630 -5.165 9.160 370 HG12 VAL 9 HG12 VAL 9 176.878 -5.200 8.962 371 HG13 VAL 9 HG13 VAL 9 177.581 -4.986 10.565 372 HG21 VAL 9 HG21 VAL 9 178.761 -2.867 11.126 373 HG22 VAL 9 HG22 VAL 9 178.773 -1.531 9.975 374 HG23 VAL 9 HG23 VAL 9 179.775 -2.954 9.686 375 H CYS 10 HN CYS 10 175.710 -1.504 8.273 376 HA CYS 10 HA CYS 10 177.063 1.060 7.942 377 HB2 CYS 10 HB2 CYS 10 176.196 0.528 5.710 378 HB3 CYS 10 HB1 CYS 10 174.587 0.287 6.383 379 HG CYS 10 HG CYS 10 176.260 3.192 5.850 380 H ASP 11 HN ASP 11 176.342 2.576 9.325 381 HA ASP 11 HA ASP 11 174.082 1.852 11.044 382 HB2 ASP 11 HB2 ASP 11 176.253 3.922 11.444 383 HB3 ASP 11 HB1 ASP 11 174.985 3.537 12.604 384 H GLY 12 HN GLY 12 172.203 2.628 10.315 385 HA2 GLY 12 HA2 GLY 12 171.992 4.972 8.702 386 HA3 GLY 12 HA1 GLY 12 170.656 4.058 9.384 387 H ASP 13 HN ASP 13 171.917 4.409 12.119 388 HA ASP 13 HA ASP 13 170.386 6.561 12.994 389 HB2 ASP 13 HB2 ASP 13 172.835 5.350 14.295 390 HB3 ASP 13 HB1 ASP 13 171.664 6.391 15.100 391 H THR 14 HN THR 14 173.954 6.464 12.872 392 HA THR 14 HA THR 14 173.977 9.389 12.759 393 HB THR 14 HB THR 14 176.390 9.210 13.206 394 HG1 THR 14 HG1 THR 14 177.151 7.035 13.767 395 HG21 THR 14 HG21 THR 14 174.693 7.569 15.090 396 HG22 THR 14 HG22 THR 14 174.843 9.326 15.094 397 HG23 THR 14 HG23 THR 14 176.238 8.321 15.487 398 H TYR 15 HN TYR 15 173.586 7.192 10.505 399 HA TYR 15 HA TYR 15 174.012 7.036 8.278 400 HB2 TYR 15 HB2 TYR 15 175.080 9.849 8.579 401 HB3 TYR 15 HB1 TYR 15 174.558 9.083 7.082 402 HD1 TYR 15 HD1 TYR 15 172.105 8.420 6.874 403 HD2 TYR 15 HD2 TYR 15 173.551 11.005 9.928 404 HE1 TYR 15 HE1 TYR 15 169.821 9.258 7.238 405 HE2 TYR 15 HE2 TYR 15 171.272 11.848 10.302 406 HH TYR 15 HH TYR 15 168.518 10.336 9.022 407 H LYS 16 HN LYS 16 176.173 6.490 10.354 408 HA LYS 16 HA LYS 16 178.571 6.875 8.722 409 HB2 LYS 16 HB2 LYS 16 178.226 5.907 11.563 410 HB3 LYS 16 HB1 LYS 16 179.775 6.036 10.741 411 HG2 LYS 16 HG2 LYS 16 179.430 8.450 10.488 412 HG3 LYS 16 HG1 LYS 16 177.895 8.309 11.348 413 HD2 LYS 16 HD2 LYS 16 179.056 7.513 13.332 414 HD3 LYS 16 HD1 LYS 16 180.598 7.577 12.474 415 HE2 LYS 16 HE2 LYS 16 178.805 9.930 13.073 416 HE3 LYS 16 HE1 LYS 16 180.293 9.523 13.928 417 HZ1 LYS 16 HZ1 LYS 16 180.083 10.247 11.054 418 HZ2 LYS 16 HZ2 LYS 16 181.513 9.837 11.858 419 HZ3 LYS 16 HZ3 LYS 16 180.677 11.242 12.287 420 H CYS 17 HN CYS 17 179.553 5.265 7.661 421 HA CYS 17 HA CYS 17 178.362 2.591 7.854 422 HB2 CYS 17 HB2 CYS 17 178.354 3.620 5.627 423 HB3 CYS 17 HB1 CYS 17 180.103 3.800 5.695 424 HG CYS 17 HG CYS 17 179.849 0.718 6.216 425 H THR 18 HN THR 18 179.437 1.018 8.842 426 HA THR 18 HA THR 18 182.286 1.412 9.426 427 HB THR 18 HB THR 18 180.364 -0.566 10.670 428 HG1 THR 18 HG1 THR 18 179.978 1.738 11.111 429 HG21 THR 18 HG21 THR 18 182.109 -0.789 12.394 430 HG22 THR 18 HG22 THR 18 183.157 0.275 11.456 431 HG23 THR 18 HG23 THR 18 182.684 -1.295 10.806 432 H ALA 19 HN ALA 19 183.771 -0.343 9.185 433 HA ALA 19 HA ALA 19 182.904 -2.564 7.490 434 HB1 ALA 19 HB1 ALA 19 185.248 -0.804 6.780 435 HB2 ALA 19 HB2 ALA 19 183.679 -0.778 5.975 436 HB3 ALA 19 HB3 ALA 19 184.689 -2.222 5.893 437 H TYR 20 HN TYR 20 184.169 -4.413 7.640 438 HA TYR 20 HA TYR 20 186.166 -4.372 9.805 439 HB2 TYR 20 HB2 TYR 20 184.337 -6.609 8.911 440 HB3 TYR 20 HB1 TYR 20 185.596 -6.778 10.130 441 HD1 TYR 20 HD1 TYR 20 182.363 -5.171 9.362 442 HD2 TYR 20 HD2 TYR 20 185.261 -6.005 12.362 443 HE1 TYR 20 HE1 TYR 20 180.776 -4.438 11.090 444 HE2 TYR 20 HE2 TYR 20 183.683 -5.276 14.100 445 HH TYR 20 HH TYR 20 180.382 -4.780 13.493 446 H LEU 21 HN LEU 21 188.175 -4.547 9.097 447 HA LEU 21 HA LEU 21 188.750 -5.644 6.484 448 HB2 LEU 21 HB2 LEU 21 190.621 -4.585 8.604 449 HB3 LEU 21 HB1 LEU 21 191.060 -4.969 6.950 450 HG LEU 21 HG LEU 21 189.178 -2.776 7.824 451 HD11 LEU 21 HD11 LEU 21 191.515 -2.279 8.290 452 HD12 LEU 21 HD12 LEU 21 190.914 -1.285 6.963 453 HD13 LEU 21 HD13 LEU 21 191.943 -2.677 6.626 454 HD21 LEU 21 HD21 LEU 21 188.478 -3.747 5.703 455 HD22 LEU 21 HD22 LEU 21 190.111 -3.560 5.066 456 HD23 LEU 21 HD23 LEU 21 189.151 -2.135 5.464 457 H ASP 22 HN ASP 22 190.374 -7.296 6.133 458 HA ASP 22 HA ASP 22 190.159 -9.426 8.128 459 HB2 ASP 22 HB2 ASP 22 189.514 -9.913 5.783 460 HB3 ASP 22 HB1 ASP 22 191.159 -9.549 5.273 461 H TYR 23 HN TYR 23 192.053 -7.027 8.156 462 HA TYR 23 HA TYR 23 194.664 -8.255 7.916 463 HB2 TYR 23 HB2 TYR 23 194.377 -5.914 7.269 464 HB3 TYR 23 HB1 TYR 23 193.837 -5.514 8.896 465 HD1 TYR 23 HD1 TYR 23 195.405 -5.221 10.687 466 HD2 TYR 23 HD2 TYR 23 196.740 -6.470 6.845 467 HE1 TYR 23 HE1 TYR 23 197.727 -4.761 11.351 468 HE2 TYR 23 HE2 TYR 23 199.066 -6.014 7.498 469 HH TYR 23 HH TYR 23 199.998 -5.456 10.712 470 H GLY 24 HN GLY 24 195.434 -9.521 9.468 471 HA2 GLY 24 HA2 GLY 24 196.215 -10.036 11.601 472 HA3 GLY 24 HA1 GLY 24 195.339 -8.648 12.229 473 H ASP 25 HN ASP 25 193.995 -9.338 13.755 474 HA ASP 25 HA ASP 25 192.716 -11.942 13.512 475 HB2 ASP 25 HB2 ASP 25 192.659 -9.920 15.764 476 HB3 ASP 25 HB1 ASP 25 191.952 -11.532 15.825 477 H GLY 26 HN GLY 26 191.935 -8.541 13.362 478 HA2 GLY 26 HA2 GLY 26 189.966 -8.107 11.874 479 HA3 GLY 26 HA1 GLY 26 189.108 -9.262 12.884 480 H LYS 27 HN LYS 27 191.342 -6.713 13.904 481 HA LYS 27 HA LYS 27 189.186 -5.610 15.564 482 HB2 LYS 27 HB2 LYS 27 192.181 -5.242 15.752 483 HB3 LYS 27 HB1 LYS 27 191.004 -4.524 16.842 484 HG2 LYS 27 HG2 LYS 27 191.488 -7.472 16.465 485 HG3 LYS 27 HG1 LYS 27 192.042 -6.491 17.823 486 HD2 LYS 27 HD2 LYS 27 189.723 -6.001 18.421 487 HD3 LYS 27 HD1 LYS 27 189.163 -6.968 17.055 488 HE2 LYS 27 HE2 LYS 27 190.760 -7.976 19.407 489 HE3 LYS 27 HE1 LYS 27 189.033 -8.223 19.147 490 HZ1 LYS 27 HZ1 LYS 27 190.308 -10.158 18.479 491 HZ2 LYS 27 HZ2 LYS 27 191.210 -9.227 17.393 492 HZ3 LYS 27 HZ3 LYS 27 189.555 -9.459 17.134 493 H TRP 28 HN TRP 28 191.461 -4.814 13.036 494 HA TRP 28 HA TRP 28 191.056 -1.994 13.117 495 HB2 TRP 28 HB2 TRP 28 192.073 -3.741 10.865 496 HB3 TRP 28 HB1 TRP 28 192.195 -1.985 10.932 497 HD1 TRP 28 HD1 TRP 28 193.780 -5.152 12.313 498 HE1 TRP 28 HE1 TRP 28 195.943 -4.531 13.561 499 HE3 TRP 28 HE3 TRP 28 193.292 -0.063 12.300 500 HZ2 TRP 28 HZ2 TRP 28 197.268 -2.193 14.425 501 HZ3 TRP 28 HZ3 TRP 28 195.051 1.293 13.359 502 HH2 TRP 28 HH2 TRP 28 196.997 0.249 14.400 503 H VAL 29 HN VAL 29 189.387 -0.853 12.397 504 HA VAL 29 HA VAL 29 187.706 -1.974 10.265 505 HB VAL 29 HB VAL 29 185.678 -1.162 11.411 506 HG11 VAL 29 HG11 VAL 29 187.315 -3.116 13.024 507 HG12 VAL 29 HG12 VAL 29 186.319 -3.501 11.620 508 HG13 VAL 29 HG13 VAL 29 185.564 -2.929 13.107 509 HG21 VAL 29 HG21 VAL 29 186.699 0.569 12.793 510 HG22 VAL 29 HG22 VAL 29 187.537 -0.663 13.736 511 HG23 VAL 29 HG23 VAL 29 185.778 -0.561 13.785 512 H ALA 30 HN ALA 30 186.810 -0.494 8.860 513 HA ALA 30 HA ALA 30 187.885 2.228 9.069 514 HB1 ALA 30 HB1 ALA 30 186.772 0.793 6.660 515 HB2 ALA 30 HB2 ALA 30 188.483 0.967 7.054 516 HB3 ALA 30 HB3 ALA 30 187.517 2.392 6.668 517 H GLN 31 HN GLN 31 186.555 4.042 8.568 518 HA GLN 31 HA GLN 31 183.680 3.629 8.447 519 HB2 GLN 31 HB2 GLN 31 185.024 5.106 10.712 520 HB3 GLN 31 HB1 GLN 31 183.307 5.215 10.353 521 HG2 GLN 31 HG2 GLN 31 183.120 2.776 10.700 522 HG3 GLN 31 HG1 GLN 31 184.821 2.745 11.166 523 HE21 GLN 31 HE21 GLN 31 184.340 1.991 13.226 524 HE22 GLN 31 HE22 GLN 31 183.632 3.001 14.436 525 H TRP 32 HN TRP 32 182.533 5.390 7.645 526 HA TRP 32 HA TRP 32 183.821 7.915 7.163 527 HB2 TRP 32 HB2 TRP 32 183.629 7.816 4.699 528 HB3 TRP 32 HB1 TRP 32 184.782 6.643 5.324 529 HD1 TRP 32 HD1 TRP 32 181.496 6.900 3.452 530 HE1 TRP 32 HE1 TRP 32 180.815 4.562 2.618 531 HE3 TRP 32 HE3 TRP 32 184.972 4.103 5.949 532 HZ2 TRP 32 HZ2 TRP 32 181.641 1.886 2.973 533 HZ3 TRP 32 HZ3 TRP 32 184.957 1.661 5.647 534 HH2 TRP 32 HH2 TRP 32 183.325 0.577 4.191 535 H ASP 33 HN ASP 33 182.343 9.494 7.109 536 HA ASP 33 HA ASP 33 179.645 9.003 7.637 537 HB2 ASP 33 HB2 ASP 33 180.921 11.506 6.510 538 HB3 ASP 33 HB1 ASP 33 179.311 11.415 7.220 539 H THR 34 HN THR 34 177.765 9.278 6.387 540 HA THR 34 HA THR 34 178.012 9.575 3.510 541 HB THR 34 HB THR 34 176.805 7.490 3.003 542 HG1 THR 34 HG1 THR 34 176.055 6.260 4.562 543 HG21 THR 34 HG21 THR 34 179.344 7.035 4.574 544 HG22 THR 34 HG22 THR 34 179.254 7.517 2.880 545 HG23 THR 34 HG23 THR 34 178.655 5.935 3.379 546 H ALA 35 HN ALA 35 175.646 9.058 2.566 547 HA ALA 35 HA ALA 35 173.734 10.457 4.323 548 HB1 ALA 35 HB1 ALA 35 174.472 11.891 2.490 549 HB2 ALA 35 HB2 ALA 35 172.766 11.478 2.323 550 HB3 ALA 35 HB3 ALA 35 173.971 10.668 1.322 551 H VAL 36 HN VAL 36 171.808 9.516 4.648 552 HA VAL 36 HA VAL 36 171.041 7.272 2.902 553 HB VAL 36 HB VAL 36 170.676 7.328 5.900 554 HG11 VAL 36 HG11 VAL 36 170.166 5.156 3.869 555 HG12 VAL 36 HG12 VAL 36 168.940 6.082 4.737 556 HG13 VAL 36 HG13 VAL 36 170.005 4.987 5.617 557 HG21 VAL 36 HG21 VAL 36 173.029 7.077 5.346 558 HG22 VAL 36 HG22 VAL 36 172.643 5.769 4.227 559 HG23 VAL 36 HG23 VAL 36 172.377 5.557 5.957 560 H PHE 37 HN PHE 37 169.015 7.350 2.157 561 HA PHE 37 HA PHE 37 166.987 8.868 3.607 562 HB2 PHE 37 HB2 PHE 37 166.300 10.084 1.587 563 HB3 PHE 37 HB1 PHE 37 167.957 10.478 2.032 564 HD1 PHE 37 HD1 PHE 37 165.809 8.831 -0.415 565 HD2 PHE 37 HD2 PHE 37 169.820 9.760 0.662 566 HE1 PHE 37 HE1 PHE 37 166.551 8.233 -2.683 567 HE2 PHE 37 HE2 PHE 37 170.570 9.164 -1.605 568 HZ PHE 37 HZ PHE 37 168.934 8.400 -3.281 569 H HIS 38 HN HIS 38 164.836 8.303 3.070 570 HA HIS 38 HA HIS 38 164.539 5.575 2.252 571 HB2 HIS 38 HB2 HIS 38 163.147 6.543 4.032 572 HB3 HIS 38 HB1 HIS 38 162.438 7.662 2.873 573 HD1 HIS 38 HD1 HIS 38 160.505 6.826 1.485 574 HD2 HIS 38 HD2 HIS 38 162.367 3.804 3.648 575 HE1 HIS 38 HE1 HIS 38 159.020 4.810 1.239 576 HE2 HIS 38 HE2 HIS 38 160.167 2.993 2.556 577 H THR 39 HN THR 39 163.816 4.755 0.363 578 HA THR 39 HA THR 39 163.527 6.629 -1.864 579 HB THR 39 HB THR 39 163.781 4.657 -3.318 580 HG1 THR 39 HG1 THR 39 164.155 3.211 -0.889 581 HG21 THR 39 HG21 THR 39 165.894 4.850 -1.169 582 HG22 THR 39 HG22 THR 39 165.782 5.867 -2.605 583 HG23 THR 39 HG23 THR 39 166.117 4.143 -2.769 584 H THR 40 HN THR 40 161.978 5.670 -3.650 585 HA THR 40 HA THR 40 159.531 4.580 -2.501 586 HB THR 40 HB THR 40 158.121 6.337 -3.496 587 HG1 THR 40 HG1 THR 40 159.001 7.732 -4.813 588 HG21 THR 40 HG21 THR 40 158.613 8.109 -1.870 589 HG22 THR 40 HG22 THR 40 160.200 7.398 -1.578 590 HG23 THR 40 HG23 THR 40 158.741 6.510 -1.138 591 H1 ALA 1 HT1 ALA 1 172.949 3.211 -16.520 592 H2 ALA 1 HT2 ALA 1 174.453 2.461 -16.325 593 H3 ALA 1 HT3 ALA 1 174.028 3.771 -15.342 594 HA ALA 1 HA ALA 1 172.267 2.499 -14.326 595 HB1 ALA 1 HB1 ALA 1 171.757 1.098 -16.268 596 HB2 ALA 1 HB2 ALA 1 172.014 0.129 -14.817 597 HB3 ALA 1 HB3 ALA 1 173.278 0.234 -16.042 598 HA PRO 2 HA PRO 2 175.315 1.481 -11.309 599 HB2 PRO 2 HB2 PRO 2 173.931 -0.214 -9.692 600 HB3 PRO 2 HB1 PRO 2 173.651 1.533 -9.724 601 HG2 PRO 2 HG2 PRO 2 172.099 -0.640 -11.056 602 HG3 PRO 2 HG1 PRO 2 171.514 0.807 -10.210 603 HD2 PRO 2 HD2 PRO 2 171.629 0.662 -12.902 604 HD3 PRO 2 HD1 PRO 2 171.877 2.180 -12.017 605 H VAL 3 HN VAL 3 176.704 -0.186 -10.558 606 HA VAL 3 HA VAL 3 176.386 -2.808 -11.832 607 HB VAL 3 HB VAL 3 178.779 -2.850 -12.431 608 HG11 VAL 3 HG11 VAL 3 178.621 -1.368 -14.379 609 HG12 VAL 3 HG12 VAL 3 177.225 -0.571 -13.652 610 HG13 VAL 3 HG13 VAL 3 177.127 -2.269 -14.119 611 HG21 VAL 3 HG21 VAL 3 178.700 0.039 -11.569 612 HG22 VAL 3 HG22 VAL 3 180.003 -0.681 -12.516 613 HG23 VAL 3 HG23 VAL 3 179.681 -1.255 -10.880 614 HA PRO 4 HA PRO 4 177.243 -4.068 -7.621 615 HB2 PRO 4 HB2 PRO 4 177.834 -6.667 -8.921 616 HB3 PRO 4 HB1 PRO 4 176.694 -6.291 -7.623 617 HG2 PRO 4 HG2 PRO 4 175.825 -6.824 -10.078 618 HG3 PRO 4 HG1 PRO 4 175.044 -5.589 -9.071 619 HD2 PRO 4 HD2 PRO 4 176.919 -5.239 -11.364 620 HD3 PRO 4 HD1 PRO 4 175.496 -4.281 -10.909 621 H VAL 5 HN VAL 5 179.042 -4.608 -6.371 622 HA VAL 5 HA VAL 5 181.599 -4.211 -7.699 623 HB VAL 5 HB VAL 5 181.015 -4.509 -4.749 624 HG11 VAL 5 HG11 VAL 5 183.214 -3.478 -4.441 625 HG12 VAL 5 HG12 VAL 5 183.454 -3.470 -6.188 626 HG13 VAL 5 HG13 VAL 5 183.331 -5.001 -5.322 627 HG21 VAL 5 HG21 VAL 5 181.195 -2.068 -4.653 628 HG22 VAL 5 HG22 VAL 5 179.855 -2.580 -5.680 629 HG23 VAL 5 HG23 VAL 5 181.358 -2.013 -6.408 630 H THR 6 HN THR 6 182.671 -5.911 -8.460 631 HA THR 6 HA THR 6 182.106 -8.588 -7.801 632 HB THR 6 HB THR 6 184.159 -9.158 -9.037 633 HG1 THR 6 HG1 THR 6 184.565 -6.359 -9.342 634 HG21 THR 6 HG21 THR 6 182.533 -6.976 -10.351 635 HG22 THR 6 HG22 THR 6 182.114 -8.689 -10.294 636 HG23 THR 6 HG23 THR 6 183.538 -8.157 -11.190 637 H LYS 7 HN LYS 7 184.687 -6.397 -6.762 638 HA LYS 7 HA LYS 7 185.025 -7.952 -4.334 639 HB2 LYS 7 HB2 LYS 7 186.603 -8.927 -6.033 640 HB3 LYS 7 HB1 LYS 7 187.405 -7.365 -6.099 641 HG2 LYS 7 HG2 LYS 7 187.997 -7.539 -3.756 642 HG3 LYS 7 HG1 LYS 7 187.133 -9.071 -3.634 643 HD2 LYS 7 HD2 LYS 7 189.535 -9.435 -3.865 644 HD3 LYS 7 HD1 LYS 7 188.662 -10.066 -5.262 645 HE2 LYS 7 HE2 LYS 7 190.677 -8.887 -5.955 646 HE3 LYS 7 HE1 LYS 7 189.232 -8.056 -6.529 647 HZ1 LYS 7 HZ1 LYS 7 190.779 -7.293 -4.112 648 HZ2 LYS 7 HZ2 LYS 7 189.450 -6.467 -4.753 649 HZ3 LYS 7 HZ3 LYS 7 190.901 -6.533 -5.619 650 H LEU 8 HN LEU 8 185.346 -6.639 -2.640 651 HA LEU 8 HA LEU 8 186.135 -3.854 -3.199 652 HB2 LEU 8 HB2 LEU 8 183.754 -4.350 -2.407 653 HB3 LEU 8 HB1 LEU 8 184.471 -4.756 -0.861 654 HG LEU 8 HG LEU 8 183.575 -2.476 -0.886 655 HD11 LEU 8 HD11 LEU 8 186.577 -2.367 -0.783 656 HD12 LEU 8 HD12 LEU 8 185.591 -3.117 0.471 657 HD13 LEU 8 HD13 LEU 8 185.421 -1.396 0.127 658 HD21 LEU 8 HD21 LEU 8 185.655 -1.939 -2.999 659 HD22 LEU 8 HD22 LEU 8 184.591 -0.749 -2.250 660 HD23 LEU 8 HD23 LEU 8 183.914 -2.016 -3.271 661 H VAL 9 HN VAL 9 188.118 -3.421 -2.503 662 HA VAL 9 HA VAL 9 189.091 -4.776 -0.074 663 HB VAL 9 HB VAL 9 191.373 -4.319 -0.885 664 HG11 VAL 9 HG11 VAL 9 189.672 -5.781 -2.899 665 HG12 VAL 9 HG12 VAL 9 190.282 -6.457 -1.389 666 HG13 VAL 9 HG13 VAL 9 191.408 -5.979 -2.660 667 HG21 VAL 9 HG21 VAL 9 191.718 -3.569 -3.198 668 HG22 VAL 9 HG22 VAL 9 190.922 -2.337 -2.218 669 HG23 VAL 9 HG23 VAL 9 189.983 -3.298 -3.360 670 H CYS 10 HN CYS 10 190.815 -3.454 1.101 671 HA CYS 10 HA CYS 10 190.337 -0.576 0.997 672 HB2 CYS 10 HB2 CYS 10 188.682 -1.419 2.600 673 HB3 CYS 10 HB1 CYS 10 189.958 -2.223 3.507 674 HG CYS 10 HG CYS 10 189.214 1.084 3.351 675 H ASP 11 HN ASP 11 192.125 0.588 1.415 676 HA ASP 11 HA ASP 11 194.533 -0.890 2.194 677 HB2 ASP 11 HB2 ASP 11 194.246 1.836 0.910 678 HB3 ASP 11 HB1 ASP 11 195.772 1.030 1.260 679 H GLY 12 HN GLY 12 194.868 -0.865 4.326 680 HA2 GLY 12 HA2 GLY 12 193.935 1.219 6.039 681 HA3 GLY 12 HA1 GLY 12 194.985 -0.113 6.499 682 H ASP 13 HN ASP 13 196.872 0.711 4.275 683 HA ASP 13 HA ASP 13 198.686 2.166 5.807 684 HB2 ASP 13 HB2 ASP 13 198.523 1.953 2.792 685 HB3 ASP 13 HB1 ASP 13 199.930 2.504 3.698 686 H THR 14 HN THR 14 196.953 3.380 2.929 687 HA THR 14 HA THR 14 197.325 6.108 3.919 688 HB THR 14 HB THR 14 196.600 6.830 1.684 689 HG1 THR 14 HG1 THR 14 196.391 5.092 0.083 690 HG21 THR 14 HG21 THR 14 198.748 4.707 1.624 691 HG22 THR 14 HG22 THR 14 198.974 6.397 2.073 692 HG23 THR 14 HG23 THR 14 198.524 5.978 0.421 693 H TYR 15 HN TYR 15 195.163 3.891 4.601 694 HA TYR 15 HA TYR 15 192.992 3.872 5.272 695 HB2 TYR 15 HB2 TYR 15 193.237 6.885 5.179 696 HB3 TYR 15 HB1 TYR 15 192.034 5.960 6.071 697 HD1 TYR 15 HD1 TYR 15 192.849 4.443 7.951 698 HD2 TYR 15 HD2 TYR 15 195.301 7.419 6.154 699 HE1 TYR 15 HE1 TYR 15 194.336 4.392 9.909 700 HE2 TYR 15 HE2 TYR 15 196.796 7.375 8.106 701 HH TYR 15 HH TYR 15 196.665 4.944 10.468 702 H LYS 16 HN LYS 16 193.748 4.182 2.339 703 HA LYS 16 HA LYS 16 191.299 5.396 1.295 704 HB2 LYS 16 HB2 LYS 16 193.788 4.407 -0.104 705 HB3 LYS 16 HB1 LYS 16 192.389 5.082 -0.928 706 HG2 LYS 16 HG2 LYS 16 192.721 7.199 0.263 707 HG3 LYS 16 HG1 LYS 16 194.144 6.518 1.055 708 HD2 LYS 16 HD2 LYS 16 195.229 6.228 -1.103 709 HD3 LYS 16 HD1 LYS 16 193.793 6.841 -1.925 710 HE2 LYS 16 HE2 LYS 16 195.514 8.381 0.015 711 HE3 LYS 16 HE1 LYS 16 195.525 8.559 -1.739 712 HZ1 LYS 16 HZ1 LYS 16 193.219 9.119 0.048 713 HZ2 LYS 16 HZ2 LYS 16 193.212 9.269 -1.637 714 HZ3 LYS 16 HZ3 LYS 16 194.197 10.277 -0.703 715 H CYS 17 HN CYS 17 189.660 4.243 0.478 716 HA CYS 17 HA CYS 17 189.926 1.320 0.482 717 HB2 CYS 17 HB2 CYS 17 188.146 2.247 1.893 718 HB3 CYS 17 HB1 CYS 17 187.446 3.056 0.495 719 HG CYS 17 HG CYS 17 187.510 0.102 -0.556 720 H THR 18 HN THR 18 190.049 0.264 -1.382 721 HA THR 18 HA THR 18 189.342 1.680 -3.853 722 HB THR 18 HB THR 18 190.973 -0.846 -3.532 723 HG1 THR 18 HG1 THR 18 191.914 1.161 -2.675 724 HG21 THR 18 HG21 THR 18 191.662 -0.393 -5.852 725 HG22 THR 18 HG22 THR 18 190.542 0.968 -5.908 726 HG23 THR 18 HG23 THR 18 189.926 -0.675 -5.725 727 H ALA 19 HN ALA 19 188.171 0.589 -5.519 728 HA ALA 19 HA ALA 19 186.708 -1.817 -4.726 729 HB1 ALA 19 HB1 ALA 19 185.319 0.668 -5.719 730 HB2 ALA 19 HB2 ALA 19 185.325 0.107 -4.047 731 HB3 ALA 19 HB3 ALA 19 184.559 -0.869 -5.302 732 H TYR 20 HN TYR 20 185.964 -3.074 -6.433 733 HA TYR 20 HA TYR 20 186.971 -2.278 -9.085 734 HB2 TYR 20 HB2 TYR 20 186.642 -5.039 -7.898 735 HB3 TYR 20 HB1 TYR 20 187.116 -4.720 -9.563 736 HD1 TYR 20 HD1 TYR 20 188.165 -4.419 -6.037 737 HD2 TYR 20 HD2 TYR 20 189.351 -4.094 -10.109 738 HE1 TYR 20 HE1 TYR 20 190.518 -4.295 -5.335 739 HE2 TYR 20 HE2 TYR 20 191.708 -3.970 -9.419 740 HH TYR 20 HH TYR 20 192.748 -4.724 -6.279 741 H LEU 21 HN LEU 21 185.415 -1.715 -10.438 742 HA LEU 21 HA LEU 21 182.683 -2.559 -10.010 743 HB2 LEU 21 HB2 LEU 21 183.873 -0.862 -12.205 744 HB3 LEU 21 HB1 LEU 21 182.162 -1.080 -11.893 745 HG LEU 21 HG LEU 21 184.138 0.285 -10.065 746 HD11 LEU 21 HD11 LEU 21 183.575 1.608 -12.028 747 HD12 LEU 21 HD12 LEU 21 182.845 2.296 -10.577 748 HD13 LEU 21 HD13 LEU 21 181.856 1.372 -11.707 749 HD21 LEU 21 HD21 LEU 21 182.433 -0.904 -8.793 750 HD22 LEU 21 HD22 LEU 21 181.168 -0.140 -9.756 751 HD23 LEU 21 HD23 LEU 21 182.185 0.839 -8.700 752 H ASP 22 HN ASP 22 181.370 -3.507 -11.704 753 HA ASP 22 HA ASP 22 182.865 -5.541 -13.182 754 HB2 ASP 22 HB2 ASP 22 181.019 -6.262 -11.692 755 HB3 ASP 22 HB1 ASP 22 179.890 -5.328 -12.667 756 H TYR 23 HN TYR 23 182.432 -2.616 -13.955 757 HA TYR 23 HA TYR 23 180.841 -2.806 -16.366 758 HB2 TYR 23 HB2 TYR 23 180.789 -0.741 -15.056 759 HB3 TYR 23 HB1 TYR 23 182.525 -0.546 -15.266 760 HD1 TYR 23 HD1 TYR 23 183.439 0.324 -17.307 761 HD2 TYR 23 HD2 TYR 23 179.261 -0.401 -16.958 762 HE1 TYR 23 HE1 TYR 23 183.050 1.611 -19.366 763 HE2 TYR 23 HE2 TYR 23 178.860 0.883 -19.016 764 HH TYR 23 HH TYR 23 181.350 1.788 -21.135 765 H GLY 24 HN GLY 24 181.646 -3.683 -18.151 766 HA2 GLY 24 HA2 GLY 24 183.081 -3.847 -19.980 767 HA3 GLY 24 HA1 GLY 24 184.256 -2.869 -19.113 768 H ASP 25 HN ASP 25 186.087 -3.981 -18.977 769 HA ASP 25 HA ASP 25 186.021 -6.876 -18.671 770 HB2 ASP 25 HB2 ASP 25 188.355 -4.986 -19.044 771 HB3 ASP 25 HB1 ASP 25 188.462 -6.743 -19.025 772 H GLY 26 HN GLY 26 186.802 -3.999 -16.851 773 HA2 GLY 26 HA2 GLY 26 186.456 -4.336 -14.392 774 HA3 GLY 26 HA1 GLY 26 187.538 -5.711 -14.555 775 H LYS 27 HN LYS 27 187.848 -2.507 -16.030 776 HA LYS 27 HA LYS 27 190.457 -2.249 -14.712 777 HB2 LYS 27 HB2 LYS 27 189.332 -0.806 -17.120 778 HB3 LYS 27 HB1 LYS 27 190.937 -0.555 -16.450 779 HG2 LYS 27 HG2 LYS 27 189.903 -3.127 -17.626 780 HG3 LYS 27 HG1 LYS 27 191.005 -1.994 -18.409 781 HD2 LYS 27 HD2 LYS 27 192.656 -2.378 -16.647 782 HD3 LYS 27 HD1 LYS 27 191.550 -3.501 -15.853 783 HE2 LYS 27 HE2 LYS 27 192.729 -3.823 -18.611 784 HE3 LYS 27 HE1 LYS 27 193.239 -4.688 -17.161 785 HZ1 LYS 27 HZ1 LYS 27 191.758 -6.031 -18.511 786 HZ2 LYS 27 HZ2 LYS 27 190.552 -4.849 -18.420 787 HZ3 LYS 27 HZ3 LYS 27 191.033 -5.675 -17.024 788 H TRP 28 HN TRP 28 187.345 -0.707 -15.090 789 HA TRP 28 HA TRP 28 188.063 1.768 -13.878 790 HB2 TRP 28 HB2 TRP 28 185.340 0.486 -14.195 791 HB3 TRP 28 HB1 TRP 28 185.634 2.165 -13.753 792 HD1 TRP 28 HD1 TRP 28 185.609 -0.185 -16.741 793 HE1 TRP 28 HE1 TRP 28 185.830 1.202 -18.899 794 HE3 TRP 28 HE3 TRP 28 186.656 4.374 -14.675 795 HZ2 TRP 28 HZ2 TRP 28 186.376 3.873 -19.628 796 HZ3 TRP 28 HZ3 TRP 28 187.015 6.292 -16.172 797 HH2 TRP 28 HH2 TRP 28 186.878 6.046 -18.597 798 H VAL 29 HN VAL 29 188.372 2.210 -11.801 799 HA VAL 29 HA VAL 29 187.075 0.523 -9.775 800 HB VAL 29 HB VAL 29 189.129 0.553 -8.409 801 HG11 VAL 29 HG11 VAL 29 189.483 -0.646 -11.154 802 HG12 VAL 29 HG12 VAL 29 188.636 -1.386 -9.795 803 HG13 VAL 29 HG13 VAL 29 190.376 -1.111 -9.707 804 HG21 VAL 29 HG21 VAL 29 190.166 2.555 -9.337 805 HG22 VAL 29 HG22 VAL 29 190.412 1.728 -10.875 806 HG23 VAL 29 HG23 VAL 29 191.266 1.179 -9.432 807 H ALA 30 HN ALA 30 186.490 1.554 -7.887 808 HA ALA 30 HA ALA 30 186.638 4.485 -7.973 809 HB1 ALA 30 HB1 ALA 30 184.790 2.710 -6.381 810 HB2 ALA 30 HB2 ALA 30 184.393 3.503 -7.905 811 HB3 ALA 30 HB3 ALA 30 184.725 4.469 -6.467 812 H GLN 31 HN GLN 31 187.097 5.679 -6.057 813 HA GLN 31 HA GLN 31 188.218 4.241 -3.793 814 HB2 GLN 31 HB2 GLN 31 189.843 6.137 -5.492 815 HB3 GLN 31 HB1 GLN 31 190.321 5.605 -3.886 816 HG2 GLN 31 HG2 GLN 31 190.308 3.272 -4.697 817 HG3 GLN 31 HG1 GLN 31 189.944 3.871 -6.316 818 HE21 GLN 31 HE21 GLN 31 191.842 3.022 -7.160 819 HE22 GLN 31 HE22 GLN 31 193.390 3.718 -6.834 820 H TRP 32 HN TRP 32 188.322 5.450 -1.899 821 HA TRP 32 HA TRP 32 187.735 8.264 -1.890 822 HB2 TRP 32 HB2 TRP 32 185.645 8.069 -0.583 823 HB3 TRP 32 HB1 TRP 32 185.479 7.407 -2.206 824 HD1 TRP 32 HD1 TRP 32 185.361 6.420 1.452 825 HE1 TRP 32 HE1 TRP 32 184.552 3.984 1.642 826 HE3 TRP 32 HE3 TRP 32 185.524 5.122 -3.491 827 HZ2 TRP 32 HZ2 TRP 32 184.050 1.801 -0.076 828 HZ3 TRP 32 HZ3 TRP 32 184.864 2.839 -4.133 829 HH2 TRP 32 HH2 TRP 32 184.142 1.215 -2.459 830 H ASP 33 HN ASP 33 188.615 9.191 -0.145 831 HA ASP 33 HA ASP 33 190.214 7.755 1.637 832 HB2 ASP 33 HB2 ASP 33 189.063 10.535 1.958 833 HB3 ASP 33 HB1 ASP 33 190.395 9.872 2.898 834 H THR 34 HN THR 34 190.009 7.307 3.857 835 HA THR 34 HA THR 34 187.425 7.635 5.135 836 HB THR 34 HB THR 34 187.179 5.247 5.679 837 HG1 THR 34 HG1 THR 34 188.684 3.850 5.140 838 HG21 THR 34 HG21 THR 34 187.338 5.774 2.708 839 HG22 THR 34 HG22 THR 34 185.972 6.166 3.753 840 HG23 THR 34 HG23 THR 34 186.420 4.482 3.484 841 H ALA 35 HN ALA 35 187.578 6.276 7.345 842 HA ALA 35 HA ALA 35 190.212 6.902 8.516 843 HB1 ALA 35 HB1 ALA 35 188.506 8.482 9.263 844 HB2 ALA 35 HB2 ALA 35 189.062 7.471 10.597 845 HB3 ALA 35 HB3 ALA 35 187.508 7.144 9.832 846 H VAL 36 HN VAL 36 191.211 5.326 9.619 847 HA VAL 36 HA VAL 36 189.654 2.934 10.349 848 HB VAL 36 HB VAL 36 192.459 2.891 9.225 849 HG11 VAL 36 HG11 VAL 36 190.549 0.657 9.906 850 HG12 VAL 36 HG12 VAL 36 192.015 1.082 10.790 851 HG13 VAL 36 HG13 VAL 36 192.127 0.463 9.142 852 HG21 VAL 36 HG21 VAL 36 190.869 3.511 7.494 853 HG22 VAL 36 HG22 VAL 36 189.847 2.138 7.917 854 HG23 VAL 36 HG23 VAL 36 191.450 1.866 7.234 855 H PHE 37 HN PHE 37 189.927 2.255 12.381 856 HA PHE 37 HA PHE 37 192.364 2.946 13.833 857 HB2 PHE 37 HB2 PHE 37 191.102 3.798 15.759 858 HB3 PHE 37 HB1 PHE 37 190.811 4.777 14.325 859 HD1 PHE 37 HD1 PHE 37 189.362 2.426 16.710 860 HD2 PHE 37 HD2 PHE 37 188.651 4.772 13.231 861 HE1 PHE 37 HE1 PHE 37 186.939 2.111 16.998 862 HE2 PHE 37 HE2 PHE 37 186.226 4.463 13.514 863 HZ PHE 37 HZ PHE 37 185.368 3.131 15.399 864 H HIS 38 HN HIS 38 192.770 1.625 15.657 865 HA HIS 38 HA HIS 38 191.737 -1.032 15.398 866 HB2 HIS 38 HB2 HIS 38 194.086 -0.618 15.994 867 HB3 HIS 38 HB1 HIS 38 193.574 0.149 17.494 868 HD1 HIS 38 HD1 HIS 38 193.091 -1.355 19.461 869 HD2 HIS 38 HD2 HIS 38 193.650 -3.457 15.919 870 HE1 HIS 38 HE1 HIS 38 193.211 -3.777 20.127 871 HE2 HIS 38 HE2 HIS 38 193.550 -5.032 17.969 872 H THR 39 HN THR 39 190.272 -2.085 16.627 873 HA THR 39 HA THR 39 188.756 -0.478 18.544 874 HB THR 39 HB THR 39 187.042 -2.238 18.390 875 HG1 THR 39 HG1 THR 39 188.765 -3.416 16.446 876 HG21 THR 39 HG21 THR 39 188.006 -1.256 15.701 877 HG22 THR 39 HG22 THR 39 186.964 -0.371 16.814 878 HG23 THR 39 HG23 THR 39 186.385 -1.854 16.056 879 H THR 40 HN THR 40 187.730 -1.960 20.347 880 HA THR 40 HA THR 40 189.663 -3.854 21.432 881 HB THR 40 HB THR 40 189.715 -2.747 23.633 882 HG1 THR 40 HG1 THR 40 188.393 -1.146 24.004 883 HG21 THR 40 HG21 THR 40 191.211 -0.897 23.030 884 HG22 THR 40 HG22 THR 40 190.635 -0.974 21.366 885 HG23 THR 40 HG23 THR 40 191.532 -2.328 22.051 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 170.715 0.428 14.059 2 H2 ALA 1 HT2 ALA 1 172.102 1.331 14.411 3 H3 ALA 1 HT3 ALA 1 171.135 0.742 15.668 4 HA ALA 1 HA ALA 1 173.139 -0.571 15.439 5 HB1 ALA 1 HB1 ALA 1 172.083 -2.761 15.331 6 HB2 ALA 1 HB2 ALA 1 170.653 -2.049 14.583 7 HB3 ALA 1 HB3 ALA 1 171.082 -1.629 16.241 8 HA PRO 2 HA PRO 2 174.810 -1.219 11.407 9 HB2 PRO 2 HB2 PRO 2 176.366 -3.400 11.839 10 HB3 PRO 2 HB1 PRO 2 176.784 -1.790 12.444 11 HG2 PRO 2 HG2 PRO 2 175.532 -4.075 13.899 12 HG3 PRO 2 HG1 PRO 2 176.797 -2.955 14.439 13 HD2 PRO 2 HD2 PRO 2 174.212 -2.689 15.186 14 HD3 PRO 2 HD1 PRO 2 175.298 -1.301 14.979 15 H VAL 3 HN VAL 3 174.004 -2.114 9.616 16 HA VAL 3 HA VAL 3 172.798 -4.794 9.805 17 HB VAL 3 HB VAL 3 171.109 -4.095 8.144 18 HG11 VAL 3 HG11 VAL 3 169.744 -2.739 9.668 19 HG12 VAL 3 HG12 VAL 3 171.173 -2.420 10.652 20 HG13 VAL 3 HG13 VAL 3 170.549 -4.063 10.509 21 HG21 VAL 3 HG21 VAL 3 172.273 -2.290 7.055 22 HG22 VAL 3 HG22 VAL 3 172.318 -1.362 8.554 23 HG23 VAL 3 HG23 VAL 3 170.777 -1.666 7.751 24 HA PRO 4 HA PRO 4 175.775 -5.783 6.621 25 HB2 PRO 4 HB2 PRO 4 173.823 -7.939 6.010 26 HB3 PRO 4 HB1 PRO 4 175.552 -8.053 6.366 27 HG2 PRO 4 HG2 PRO 4 173.755 -8.792 8.175 28 HG3 PRO 4 HG1 PRO 4 175.244 -7.953 8.649 29 HD2 PRO 4 HD2 PRO 4 172.465 -6.890 8.444 30 HD3 PRO 4 HD1 PRO 4 173.739 -6.513 9.622 31 H VAL 5 HN VAL 5 175.952 -5.570 4.399 32 HA VAL 5 HA VAL 5 173.700 -4.277 3.095 33 HB VAL 5 HB VAL 5 176.495 -4.751 2.044 34 HG11 VAL 5 HG11 VAL 5 174.293 -2.926 1.083 35 HG12 VAL 5 HG12 VAL 5 174.885 -4.373 0.266 36 HG13 VAL 5 HG13 VAL 5 175.937 -2.969 0.446 37 HG21 VAL 5 HG21 VAL 5 176.903 -2.403 2.631 38 HG22 VAL 5 HG22 VAL 5 176.542 -3.382 4.053 39 HG23 VAL 5 HG23 VAL 5 175.307 -2.319 3.377 40 H THR 6 HN THR 6 172.328 -5.305 1.807 41 HA THR 6 HA THR 6 172.790 -8.051 1.059 42 HB THR 6 HB THR 6 170.539 -7.950 0.064 43 HG1 THR 6 HG1 THR 6 169.375 -5.902 0.471 44 HG21 THR 6 HG21 THR 6 170.735 -8.451 2.439 45 HG22 THR 6 HG22 THR 6 169.286 -7.491 2.136 46 HG23 THR 6 HG23 THR 6 170.721 -6.729 2.820 47 H LYS 7 HN LYS 7 172.850 -4.917 -0.480 48 HA LYS 7 HA LYS 7 174.124 -6.078 -2.814 49 HB2 LYS 7 HB2 LYS 7 171.605 -6.038 -3.215 50 HB3 LYS 7 HB1 LYS 7 171.731 -4.284 -3.202 51 HG2 LYS 7 HG2 LYS 7 173.220 -4.342 -5.104 52 HG3 LYS 7 HG1 LYS 7 173.213 -6.105 -5.086 53 HD2 LYS 7 HD2 LYS 7 170.748 -6.028 -5.458 54 HD3 LYS 7 HD1 LYS 7 170.880 -4.279 -5.646 55 HE2 LYS 7 HE2 LYS 7 172.405 -4.600 -7.532 56 HE3 LYS 7 HE1 LYS 7 172.275 -6.347 -7.342 57 HZ1 LYS 7 HZ1 LYS 7 170.041 -4.508 -8.014 58 HZ2 LYS 7 HZ2 LYS 7 169.911 -6.183 -7.826 59 HZ3 LYS 7 HZ3 LYS 7 170.828 -5.546 -9.095 60 H LEU 8 HN LEU 8 175.664 -4.750 -3.623 61 HA LEU 8 HA LEU 8 175.612 -1.924 -2.812 62 HB2 LEU 8 HB2 LEU 8 177.159 -3.455 -1.440 63 HB3 LEU 8 HB1 LEU 8 178.149 -3.532 -2.885 64 HG LEU 8 HG LEU 8 179.016 -1.878 -1.323 65 HD11 LEU 8 HD11 LEU 8 179.277 -0.054 -2.828 66 HD12 LEU 8 HD12 LEU 8 177.786 -0.461 -3.675 67 HD13 LEU 8 HD13 LEU 8 179.185 -1.528 -3.791 68 HD21 LEU 8 HD21 LEU 8 177.750 0.128 -0.772 69 HD22 LEU 8 HD22 LEU 8 176.916 -1.319 -0.205 70 HD23 LEU 8 HD23 LEU 8 176.359 -0.493 -1.661 71 H VAL 9 HN VAL 9 175.451 -0.780 -4.624 72 HA VAL 9 HA VAL 9 176.977 -1.664 -6.987 73 HB VAL 9 HB VAL 9 175.382 -0.370 -8.349 74 HG11 VAL 9 HG11 VAL 9 174.075 -2.397 -6.540 75 HG12 VAL 9 HG12 VAL 9 175.012 -2.753 -7.991 76 HG13 VAL 9 HG13 VAL 9 173.480 -1.888 -8.120 77 HG21 VAL 9 HG21 VAL 9 173.911 0.029 -5.743 78 HG22 VAL 9 HG22 VAL 9 173.304 0.457 -7.343 79 HG23 VAL 9 HG23 VAL 9 174.718 1.283 -6.687 80 H CYS 10 HN CYS 10 177.362 0.326 -8.515 81 HA CYS 10 HA CYS 10 178.057 2.737 -7.036 82 HB2 CYS 10 HB2 CYS 10 180.053 1.323 -6.831 83 HB3 CYS 10 HB1 CYS 10 180.107 1.135 -8.580 84 HG CYS 10 HG CYS 10 181.595 3.359 -6.790 85 H ASP 11 HN ASP 11 177.785 4.531 -8.223 86 HA ASP 11 HA ASP 11 177.154 4.180 -11.068 87 HB2 ASP 11 HB2 ASP 11 176.484 6.460 -9.195 88 HB3 ASP 11 HB1 ASP 11 176.001 6.356 -10.885 89 H GLY 12 HN GLY 12 178.632 4.764 -12.505 90 HA2 GLY 12 HA2 GLY 12 180.899 6.380 -11.690 91 HA3 GLY 12 HA1 GLY 12 180.695 5.571 -13.237 92 H ASP 13 HN ASP 13 177.946 6.822 -13.447 93 HA ASP 13 HA ASP 13 178.613 8.978 -15.082 94 HB2 ASP 13 HB2 ASP 13 175.990 8.432 -13.676 95 HB3 ASP 13 HB1 ASP 13 176.210 9.538 -15.028 96 H THR 14 HN THR 14 177.967 8.838 -11.653 97 HA THR 14 HA THR 14 178.612 11.703 -11.475 98 HB THR 14 HB THR 14 177.050 11.940 -9.591 99 HG1 THR 14 HG1 THR 14 175.524 10.213 -9.262 100 HG21 THR 14 HG21 THR 14 175.753 10.871 -12.100 101 HG22 THR 14 HG22 THR 14 176.290 12.530 -11.838 102 HG23 THR 14 HG23 THR 14 174.964 11.871 -10.880 103 H TYR 15 HN TYR 15 179.793 8.791 -10.864 104 HA TYR 15 HA TYR 15 181.330 7.927 -9.430 105 HB2 TYR 15 HB2 TYR 15 181.668 10.792 -8.519 106 HB3 TYR 15 HB1 TYR 15 182.819 9.478 -8.293 107 HD1 TYR 15 HD1 TYR 15 183.789 8.392 -10.417 108 HD2 TYR 15 HD2 TYR 15 181.786 12.146 -10.415 109 HE1 TYR 15 HE1 TYR 15 184.857 8.958 -12.559 110 HE2 TYR 15 HE2 TYR 15 182.848 12.721 -12.556 111 HH TYR 15 HH TYR 15 184.462 10.440 -14.480 112 H LYS 16 HN LYS 16 178.464 8.478 -8.550 113 HA LYS 16 HA LYS 16 178.844 8.578 -5.647 114 HB2 LYS 16 HB2 LYS 16 176.331 8.719 -7.322 115 HB3 LYS 16 HB1 LYS 16 176.365 8.781 -5.565 116 HG2 LYS 16 HG2 LYS 16 177.695 10.833 -5.668 117 HG3 LYS 16 HG1 LYS 16 177.636 10.774 -7.430 118 HD2 LYS 16 HD2 LYS 16 175.210 10.979 -7.372 119 HD3 LYS 16 HD1 LYS 16 175.239 10.976 -5.608 120 HE2 LYS 16 HE2 LYS 16 176.545 13.044 -5.626 121 HE3 LYS 16 HE1 LYS 16 176.525 13.043 -7.389 122 HZ1 LYS 16 HZ1 LYS 16 174.118 13.245 -7.326 123 HZ2 LYS 16 HZ2 LYS 16 174.845 14.521 -6.488 124 HZ3 LYS 16 HZ3 LYS 16 174.137 13.245 -5.634 125 H CYS 17 HN CYS 17 178.900 6.769 -4.508 126 HA CYS 17 HA CYS 17 178.110 4.260 -5.760 127 HB2 CYS 17 HB2 CYS 17 180.296 4.375 -4.651 128 HB3 CYS 17 HB1 CYS 17 179.513 4.797 -3.133 129 HG CYS 17 HG CYS 17 178.128 2.307 -2.997 130 H THR 18 HN THR 18 176.262 3.249 -5.334 131 HA THR 18 HA THR 18 174.610 4.241 -3.118 132 HB THR 18 HB THR 18 173.770 2.550 -5.482 133 HG1 THR 18 HG1 THR 18 173.312 5.325 -5.020 134 HG21 THR 18 HG21 THR 18 172.158 4.000 -3.379 135 HG22 THR 18 HG22 THR 18 172.305 2.253 -3.565 136 HG23 THR 18 HG23 THR 18 171.488 3.205 -4.804 137 H ALA 19 HN ALA 19 173.447 2.738 -1.792 138 HA ALA 19 HA ALA 19 174.388 -0.029 -1.815 139 HB1 ALA 19 HB1 ALA 19 175.921 1.218 -0.337 140 HB2 ALA 19 HB2 ALA 19 174.988 -0.005 0.525 141 HB3 ALA 19 HB3 ALA 19 174.542 1.696 0.653 142 H TYR 20 HN TYR 20 173.037 -1.493 -0.698 143 HA TYR 20 HA TYR 20 170.357 -0.419 -0.110 144 HB2 TYR 20 HB2 TYR 20 171.153 -3.140 -1.166 145 HB3 TYR 20 HB1 TYR 20 169.513 -2.687 -0.713 146 HD1 TYR 20 HD1 TYR 20 172.169 -2.284 -3.197 147 HD2 TYR 20 HD2 TYR 20 168.219 -1.153 -2.092 148 HE1 TYR 20 HE1 TYR 20 171.791 -1.412 -5.464 149 HE2 TYR 20 HE2 TYR 20 167.830 -0.278 -4.357 150 HH TYR 20 HH TYR 20 169.141 0.554 -6.261 151 H LEU 21 HN LEU 21 169.950 -0.364 1.991 152 HA LEU 21 HA LEU 21 171.380 -2.047 3.849 153 HB2 LEU 21 HB2 LEU 21 169.166 -0.049 4.320 154 HB3 LEU 21 HB1 LEU 21 170.117 -0.825 5.572 155 HG LEU 21 HG LEU 21 171.154 1.101 3.491 156 HD11 LEU 21 HD11 LEU 21 171.534 2.576 5.404 157 HD12 LEU 21 HD12 LEU 21 170.786 1.386 6.470 158 HD13 LEU 21 HD13 LEU 21 169.825 2.179 5.222 159 HD21 LEU 21 HD21 LEU 21 173.270 0.964 4.707 160 HD22 LEU 21 HD22 LEU 21 172.814 -0.600 4.034 161 HD23 LEU 21 HD23 LEU 21 172.591 -0.283 5.754 162 H ASP 22 HN ASP 22 170.425 -3.511 5.319 163 HA ASP 22 HA ASP 22 168.059 -4.844 4.232 164 HB2 ASP 22 HB2 ASP 22 170.108 -6.182 4.639 165 HB3 ASP 22 HB1 ASP 22 170.002 -5.790 6.353 166 H TYR 23 HN TYR 23 168.157 -2.342 5.993 167 HA TYR 23 HA TYR 23 166.879 -3.188 8.440 168 HB2 TYR 23 HB2 TYR 23 168.345 -1.231 8.451 169 HB3 TYR 23 HB1 TYR 23 167.313 -0.430 7.271 170 HD1 TYR 23 HD1 TYR 23 167.554 -1.566 10.769 171 HD2 TYR 23 HD2 TYR 23 165.287 0.655 7.936 172 HE1 TYR 23 HE1 TYR 23 166.231 -0.592 12.599 173 HE2 TYR 23 HE2 TYR 23 163.959 1.636 9.757 174 HH TYR 23 HH TYR 23 163.342 1.108 12.077 175 H GLY 24 HN GLY 24 164.733 -3.053 8.952 176 HA2 GLY 24 HA2 GLY 24 162.464 -2.931 8.630 177 HA3 GLY 24 HA1 GLY 24 162.789 -1.650 7.473 178 H ASP 25 HN ASP 25 161.895 -2.059 5.575 179 HA ASP 25 HA ASP 25 161.307 -4.775 4.770 180 HB2 ASP 25 HB2 ASP 25 160.787 -2.147 3.364 181 HB3 ASP 25 HB1 ASP 25 160.177 -3.717 2.847 182 H GLY 26 HN GLY 26 163.610 -2.273 4.002 183 HA2 GLY 26 HA2 GLY 26 165.757 -3.026 3.106 184 HA3 GLY 26 HA1 GLY 26 164.861 -4.120 2.064 185 H LYS 27 HN LYS 27 163.792 -0.848 2.612 186 HA LYS 27 HA LYS 27 164.259 -0.276 -0.220 187 HB2 LYS 27 HB2 LYS 27 162.571 1.175 1.828 188 HB3 LYS 27 HB1 LYS 27 162.696 1.609 0.129 189 HG2 LYS 27 HG2 LYS 27 161.737 -0.553 -0.493 190 HG3 LYS 27 HG1 LYS 27 161.602 -0.978 1.215 191 HD2 LYS 27 HD2 LYS 27 160.096 0.919 1.567 192 HD3 LYS 27 HD1 LYS 27 160.236 1.348 -0.139 193 HE2 LYS 27 HE2 LYS 27 159.259 -0.810 -0.758 194 HE3 LYS 27 HE1 LYS 27 159.118 -1.235 0.946 195 HZ1 LYS 27 HZ1 LYS 27 157.024 -0.423 0.067 196 HZ2 LYS 27 HZ2 LYS 27 157.747 1.036 -0.391 197 HZ3 LYS 27 HZ3 LYS 27 157.615 0.636 1.247 198 H TRP 28 HN TRP 28 165.209 0.737 2.974 199 HA TRP 28 HA TRP 28 166.264 3.258 2.421 200 HB2 TRP 28 HB2 TRP 28 167.263 1.205 4.407 201 HB3 TRP 28 HB1 TRP 28 167.664 2.919 4.422 202 HD1 TRP 28 HD1 TRP 28 164.810 0.504 5.211 203 HE1 TRP 28 HE1 TRP 28 163.035 1.748 6.598 204 HE3 TRP 28 HE3 TRP 28 166.693 5.246 4.874 205 HZ2 TRP 28 HZ2 TRP 28 162.503 4.389 7.438 206 HZ3 TRP 28 HZ3 TRP 28 165.491 7.074 5.998 207 HH2 TRP 28 HH2 TRP 28 163.439 6.653 7.253 208 H VAL 29 HN VAL 29 168.151 3.988 1.581 209 HA VAL 29 HA VAL 29 170.235 2.052 0.888 210 HB VAL 29 HB VAL 29 170.461 3.003 -1.378 211 HG11 VAL 29 HG11 VAL 29 168.498 1.905 -2.361 212 HG12 VAL 29 HG12 VAL 29 167.738 1.858 -0.771 213 HG13 VAL 29 HG13 VAL 29 169.213 0.941 -1.070 214 HG21 VAL 29 HG21 VAL 29 169.456 5.184 -0.979 215 HG22 VAL 29 HG22 VAL 29 167.884 4.428 -0.723 216 HG23 VAL 29 HG23 VAL 29 168.644 4.362 -2.312 217 H ALA 30 HN ALA 30 172.296 2.866 0.884 218 HA ALA 30 HA ALA 30 172.575 5.604 1.900 219 HB1 ALA 30 HB1 ALA 30 173.526 3.817 3.278 220 HB2 ALA 30 HB2 ALA 30 174.773 4.915 2.689 221 HB3 ALA 30 HB3 ALA 30 174.562 3.335 1.935 222 H GLN 31 HN GLN 31 174.264 6.972 1.087 223 HA GLN 31 HA GLN 31 175.488 6.243 -1.444 224 HB2 GLN 31 HB2 GLN 31 173.577 8.567 -1.172 225 HB3 GLN 31 HB1 GLN 31 174.663 8.338 -2.536 226 HG2 GLN 31 HG2 GLN 31 173.560 6.177 -3.002 227 HG3 GLN 31 HG1 GLN 31 172.423 6.514 -1.697 228 HE21 GLN 31 HE21 GLN 31 170.666 6.488 -3.094 229 HE22 GLN 31 HE22 GLN 31 170.357 7.771 -4.209 230 H TRP 32 HN TRP 32 177.315 7.432 -1.948 231 HA TRP 32 HA TRP 32 178.048 9.779 -0.467 232 HB2 TRP 32 HB2 TRP 32 180.069 8.801 0.574 233 HB3 TRP 32 HB1 TRP 32 178.585 8.108 1.219 234 HD1 TRP 32 HD1 TRP 32 181.723 7.196 -0.701 235 HE1 TRP 32 HE1 TRP 32 181.825 4.640 -0.988 236 HE3 TRP 32 HE3 TRP 32 177.036 6.006 0.957 237 HZ2 TRP 32 HZ2 TRP 32 180.140 2.414 -0.569 238 HZ3 TRP 32 HZ3 TRP 32 176.359 3.641 0.982 239 HH2 TRP 32 HH2 TRP 32 177.880 1.883 0.234 240 H ASP 33 HN ASP 33 179.420 10.994 -1.631 241 HA ASP 33 HA ASP 33 180.068 10.337 -4.267 242 HB2 ASP 33 HB2 ASP 33 181.344 12.411 -2.470 243 HB3 ASP 33 HB1 ASP 33 181.503 12.349 -4.222 244 H THR 34 HN THR 34 182.059 9.872 -5.277 245 HA THR 34 HA THR 34 184.330 9.114 -3.639 246 HB THR 34 HB THR 34 184.486 6.840 -4.562 247 HG1 THR 34 HG1 THR 34 183.200 6.264 -6.135 248 HG21 THR 34 HG21 THR 34 183.420 7.179 -2.376 249 HG22 THR 34 HG22 THR 34 182.707 5.816 -3.239 250 HG23 THR 34 HG23 THR 34 181.855 7.358 -3.170 251 H ALA 35 HN ALA 35 185.991 7.954 -5.267 252 HA ALA 35 HA ALA 35 186.065 9.631 -7.690 253 HB1 ALA 35 HB1 ALA 35 188.394 8.692 -6.020 254 HB2 ALA 35 HB2 ALA 35 187.742 10.329 -6.062 255 HB3 ALA 35 HB3 ALA 35 188.503 9.645 -7.499 256 H VAL 36 HN VAL 36 186.132 8.579 -9.566 257 HA VAL 36 HA VAL 36 187.082 5.790 -9.583 258 HB VAL 36 HB VAL 36 184.773 6.848 -11.219 259 HG11 VAL 36 HG11 VAL 36 185.993 5.050 -12.314 260 HG12 VAL 36 HG12 VAL 36 184.409 4.489 -11.779 261 HG13 VAL 36 HG13 VAL 36 185.853 4.054 -10.865 262 HG21 VAL 36 HG21 VAL 36 184.746 5.078 -8.777 263 HG22 VAL 36 HG22 VAL 36 183.348 5.464 -9.778 264 HG23 VAL 36 HG23 VAL 36 184.160 6.738 -8.868 265 H PHE 37 HN PHE 37 188.496 5.272 -11.147 266 HA PHE 37 HA PHE 37 188.732 6.934 -13.525 267 HB2 PHE 37 HB2 PHE 37 191.152 7.258 -13.225 268 HB3 PHE 37 HB1 PHE 37 190.236 8.024 -11.931 269 HD1 PHE 37 HD1 PHE 37 192.528 5.316 -12.803 270 HD2 PHE 37 HD2 PHE 37 190.334 7.181 -9.669 271 HE1 PHE 37 HE1 PHE 37 193.867 4.091 -11.142 272 HE2 PHE 37 HE2 PHE 37 191.670 5.961 -8.003 273 HZ PHE 37 HZ PHE 37 193.439 4.413 -8.738 274 H HIS 38 HN HIS 38 189.900 5.938 -15.234 275 HA HIS 38 HA HIS 38 189.730 3.061 -15.177 276 HB2 HIS 38 HB2 HIS 38 189.021 4.330 -17.163 277 HB3 HIS 38 HB1 HIS 38 190.666 4.922 -17.373 278 HD1 HIS 38 HD1 HIS 38 192.266 3.453 -18.640 279 HD2 HIS 38 HD2 HIS 38 188.727 1.505 -17.666 280 HE1 HIS 38 HE1 HIS 38 192.337 1.268 -19.883 281 HE2 HIS 38 HE2 HIS 38 190.186 0.104 -19.278 282 H THR 39 HN THR 39 191.362 1.612 -15.102 283 HA THR 39 HA THR 39 193.999 2.624 -14.402 284 HB THR 39 HB THR 39 194.524 0.294 -13.806 285 HG1 THR 39 HG1 THR 39 192.767 -1.237 -13.911 286 HG21 THR 39 HG21 THR 39 193.489 1.743 -12.129 287 HG22 THR 39 HG22 THR 39 192.958 0.072 -11.932 288 HG23 THR 39 HG23 THR 39 191.888 1.253 -12.686 289 H THR 40 HN THR 40 195.916 2.006 -15.444 290 HA THR 40 HA THR 40 195.678 0.620 -18.009 291 HB THR 40 HB THR 40 197.023 2.330 -19.165 292 HG1 THR 40 HG1 THR 40 197.115 4.435 -18.040 293 HG21 THR 40 HG21 THR 40 194.494 3.419 -17.923 294 HG22 THR 40 HG22 THR 40 194.588 2.405 -19.362 295 HG23 THR 40 HG23 THR 40 195.268 4.031 -19.384 296 H1 ALA 1 HT1 ALA 1 198.543 -3.012 3.066 297 H2 ALA 1 HT2 ALA 1 198.347 -1.642 2.093 298 H3 ALA 1 HT3 ALA 1 199.811 -2.490 2.074 299 HA ALA 1 HA ALA 1 198.518 -2.971 0.104 300 HB1 ALA 1 HB1 ALA 1 198.603 -5.399 0.244 301 HB2 ALA 1 HB2 ALA 1 198.692 -5.307 2.003 302 HB3 ALA 1 HB3 ALA 1 200.015 -4.679 1.019 303 HA PRO 2 HA PRO 2 194.122 -3.140 0.430 304 HB2 PRO 2 HB2 PRO 2 193.495 -4.562 -1.796 305 HB3 PRO 2 HB1 PRO 2 194.058 -2.886 -1.857 306 HG2 PRO 2 HG2 PRO 2 195.595 -5.400 -2.329 307 HG3 PRO 2 HG1 PRO 2 195.649 -3.865 -3.217 308 HD2 PRO 2 HD2 PRO 2 197.518 -4.546 -1.385 309 HD3 PRO 2 HD1 PRO 2 197.032 -2.865 -1.682 310 H VAL 3 HN VAL 3 192.788 -4.356 1.615 311 HA VAL 3 HA VAL 3 193.136 -7.280 1.566 312 HB VAL 3 HB VAL 3 192.537 -7.340 3.960 313 HG11 VAL 3 HG11 VAL 3 194.685 -6.518 4.818 314 HG12 VAL 3 HG12 VAL 3 194.945 -5.644 3.309 315 HG13 VAL 3 HG13 VAL 3 194.878 -7.406 3.307 316 HG21 VAL 3 HG21 VAL 3 191.298 -5.286 4.164 317 HG22 VAL 3 HG22 VAL 3 192.724 -4.337 3.744 318 HG23 VAL 3 HG23 VAL 3 192.676 -5.231 5.264 319 HA PRO 4 HA PRO 4 188.844 -7.241 0.315 320 HB2 PRO 4 HB2 PRO 4 188.897 -9.995 1.431 321 HB3 PRO 4 HB1 PRO 4 188.410 -9.440 -0.177 322 HG2 PRO 4 HG2 PRO 4 190.717 -10.708 0.166 323 HG3 PRO 4 HG1 PRO 4 190.572 -9.353 -0.970 324 HD2 PRO 4 HD2 PRO 4 191.801 -9.411 1.746 325 HD3 PRO 4 HD1 PRO 4 192.311 -8.532 0.290 326 H VAL 5 HN VAL 5 186.838 -7.083 1.296 327 HA VAL 5 HA VAL 5 186.891 -6.785 4.186 328 HB VAL 5 HB VAL 5 184.632 -6.233 2.255 329 HG11 VAL 5 HG11 VAL 5 185.036 -5.407 5.128 330 HG12 VAL 5 HG12 VAL 5 183.850 -6.567 4.529 331 HG13 VAL 5 HG13 VAL 5 183.723 -4.866 4.083 332 HG21 VAL 5 HG21 VAL 5 185.284 -3.877 2.468 333 HG22 VAL 5 HG22 VAL 5 186.565 -4.851 1.745 334 HG23 VAL 5 HG23 VAL 5 186.678 -4.358 3.435 335 H THR 6 HN THR 6 186.239 -8.308 5.545 336 HA THR 6 HA THR 6 184.994 -10.719 4.566 337 HB THR 6 HB THR 6 185.156 -11.511 6.893 338 HG1 THR 6 HG1 THR 6 186.325 -10.026 8.357 339 HG21 THR 6 HG21 THR 6 187.087 -11.788 5.437 340 HG22 THR 6 HG22 THR 6 187.612 -11.453 7.087 341 HG23 THR 6 HG23 THR 6 187.667 -10.179 5.869 342 H LYS 7 HN LYS 7 184.043 -7.864 6.338 343 HA LYS 7 HA LYS 7 181.250 -8.578 6.004 344 HB2 LYS 7 HB2 LYS 7 182.048 -9.497 8.246 345 HB3 LYS 7 HB1 LYS 7 182.243 -7.824 8.751 346 HG2 LYS 7 HG2 LYS 7 179.884 -7.413 8.424 347 HG3 LYS 7 HG1 LYS 7 179.661 -9.050 7.806 348 HD2 LYS 7 HD2 LYS 7 180.464 -9.915 10.003 349 HD3 LYS 7 HD1 LYS 7 180.479 -8.253 10.597 350 HE2 LYS 7 HE2 LYS 7 178.082 -8.072 10.141 351 HE3 LYS 7 HE1 LYS 7 178.068 -9.731 9.546 352 HZ1 LYS 7 HZ1 LYS 7 178.744 -8.890 12.314 353 HZ2 LYS 7 HZ2 LYS 7 178.740 -10.482 11.745 354 HZ3 LYS 7 HZ3 LYS 7 177.293 -9.610 11.825 355 H LEU 8 HN LEU 8 180.020 -6.812 5.606 356 HA LEU 8 HA LEU 8 181.147 -4.172 6.252 357 HB2 LEU 8 HB2 LEU 8 181.440 -4.951 3.816 358 HB3 LEU 8 HB1 LEU 8 179.709 -4.722 3.670 359 HG LEU 8 HG LEU 8 180.915 -2.792 2.809 360 HD11 LEU 8 HD11 LEU 8 179.724 -1.075 3.946 361 HD12 LEU 8 HD12 LEU 8 179.599 -2.049 5.411 362 HD13 LEU 8 HD13 LEU 8 178.715 -2.521 3.961 363 HD21 LEU 8 HD21 LEU 8 182.251 -1.378 4.272 364 HD22 LEU 8 HD22 LEU 8 182.931 -3.002 4.176 365 HD23 LEU 8 HD23 LEU 8 182.016 -2.512 5.602 366 H VAL 9 HN VAL 9 179.781 -3.258 7.636 367 HA VAL 9 HA VAL 9 176.888 -3.623 7.209 368 HB VAL 9 HB VAL 9 176.592 -3.081 9.595 369 HG11 VAL 9 HG11 VAL 9 178.499 -5.361 9.090 370 HG12 VAL 9 HG12 VAL 9 176.747 -5.411 8.893 371 HG13 VAL 9 HG13 VAL 9 177.449 -5.186 10.496 372 HG21 VAL 9 HG21 VAL 9 179.608 -3.135 9.694 373 HG22 VAL 9 HG22 VAL 9 178.534 -3.042 11.090 374 HG23 VAL 9 HG23 VAL 9 178.583 -1.719 9.926 375 H CYS 10 HN CYS 10 175.641 -1.709 8.315 376 HA CYS 10 HA CYS 10 176.958 0.856 7.896 377 HB2 CYS 10 HB2 CYS 10 176.037 0.297 5.690 378 HB3 CYS 10 HB1 CYS 10 174.447 0.061 6.407 379 HG CYS 10 HG CYS 10 175.651 2.761 5.135 380 H ASP 11 HN ASP 11 176.282 2.361 9.303 381 HA ASP 11 HA ASP 11 174.017 1.665 11.036 382 HB2 ASP 11 HB2 ASP 11 176.284 3.618 11.489 383 HB3 ASP 11 HB1 ASP 11 175.001 3.262 12.642 384 H GLY 12 HN GLY 12 172.162 2.688 10.722 385 HA2 GLY 12 HA2 GLY 12 172.070 5.070 9.068 386 HA3 GLY 12 HA1 GLY 12 170.692 4.171 9.680 387 H ASP 13 HN ASP 13 171.927 4.296 12.443 388 HA ASP 13 HA ASP 13 170.481 6.465 13.427 389 HB2 ASP 13 HB2 ASP 13 172.836 5.049 14.695 390 HB3 ASP 13 HB1 ASP 13 171.697 6.092 15.543 391 H THR 14 HN THR 14 173.772 6.258 12.281 392 HA THR 14 HA THR 14 174.030 9.162 12.676 393 HB THR 14 HB THR 14 176.431 8.890 13.132 394 HG1 THR 14 HG1 THR 14 177.176 6.737 13.610 395 HG21 THR 14 HG21 THR 14 174.665 7.297 14.995 396 HG22 THR 14 HG22 THR 14 174.879 9.047 15.015 397 HG23 THR 14 HG23 THR 14 176.234 7.988 15.406 398 H TYR 15 HN TYR 15 173.631 6.933 10.413 399 HA TYR 15 HA TYR 15 174.075 6.771 8.190 400 HB2 TYR 15 HB2 TYR 15 175.117 9.595 8.489 401 HB3 TYR 15 HB1 TYR 15 174.613 8.819 6.993 402 HD1 TYR 15 HD1 TYR 15 172.154 8.072 6.831 403 HD2 TYR 15 HD2 TYR 15 173.581 10.806 9.761 404 HE1 TYR 15 HE1 TYR 15 169.861 8.891 7.175 405 HE2 TYR 15 HE2 TYR 15 171.293 11.632 10.115 406 HH TYR 15 HH TYR 15 168.553 10.027 8.919 407 H LYS 16 HN LYS 16 176.229 6.258 10.287 408 HA LYS 16 HA LYS 16 178.625 6.630 8.645 409 HB2 LYS 16 HB2 LYS 16 178.312 5.745 11.518 410 HB3 LYS 16 HB1 LYS 16 179.850 5.898 10.683 411 HG2 LYS 16 HG2 LYS 16 179.438 8.291 10.371 412 HG3 LYS 16 HG1 LYS 16 177.906 8.131 11.231 413 HD2 LYS 16 HD2 LYS 16 179.087 7.420 13.237 414 HD3 LYS 16 HD1 LYS 16 180.627 7.512 12.381 415 HE2 LYS 16 HE2 LYS 16 180.301 9.914 12.055 416 HE3 LYS 16 HE1 LYS 16 178.758 9.821 12.903 417 HZ1 LYS 16 HZ1 LYS 16 179.936 9.116 14.891 418 HZ2 LYS 16 HZ2 LYS 16 180.519 10.609 14.353 419 HZ3 LYS 16 HZ3 LYS 16 181.416 9.203 14.076 420 H CYS 17 HN CYS 17 179.352 5.028 7.427 421 HA CYS 17 HA CYS 17 178.265 2.349 7.782 422 HB2 CYS 17 HB2 CYS 17 178.265 3.322 5.530 423 HB3 CYS 17 HB1 CYS 17 180.015 3.493 5.594 424 HG CYS 17 HG CYS 17 180.421 0.678 5.780 425 H THR 18 HN THR 18 179.342 0.743 8.722 426 HA THR 18 HA THR 18 182.179 1.153 9.360 427 HB THR 18 HB THR 18 180.248 -0.839 10.565 428 HG1 THR 18 HG1 THR 18 181.244 1.584 11.687 429 HG21 THR 18 HG21 THR 18 183.031 0.005 11.383 430 HG22 THR 18 HG22 THR 18 182.559 -1.568 10.741 431 HG23 THR 18 HG23 THR 18 181.971 -1.049 12.321 432 H ALA 19 HN ALA 19 183.668 -0.610 9.149 433 HA ALA 19 HA ALA 19 182.840 -2.825 7.432 434 HB1 ALA 19 HB1 ALA 19 183.616 -1.029 5.929 435 HB2 ALA 19 HB2 ALA 19 184.631 -2.469 5.851 436 HB3 ALA 19 HB3 ALA 19 185.179 -1.051 6.745 437 H TYR 20 HN TYR 20 184.237 -4.632 7.487 438 HA TYR 20 HA TYR 20 186.120 -4.606 9.753 439 HB2 TYR 20 HB2 TYR 20 184.455 -6.881 8.657 440 HB3 TYR 20 HB1 TYR 20 185.661 -7.051 9.928 441 HD1 TYR 20 HD1 TYR 20 182.323 -5.807 9.093 442 HD2 TYR 20 HD2 TYR 20 185.246 -6.177 12.163 443 HE1 TYR 20 HE1 TYR 20 180.619 -5.246 10.775 444 HE2 TYR 20 HE2 TYR 20 183.550 -5.618 13.854 445 HH TYR 20 HH TYR 20 181.393 -4.450 13.982 446 H LEU 21 HN LEU 21 188.162 -4.606 9.109 447 HA LEU 21 HA LEU 21 188.915 -5.546 6.486 448 HB2 LEU 21 HB2 LEU 21 190.611 -4.495 8.753 449 HB3 LEU 21 HB1 LEU 21 191.173 -4.801 7.121 450 HG LEU 21 HG LEU 21 189.135 -2.729 7.938 451 HD11 LEU 21 HD11 LEU 21 190.849 -1.129 7.241 452 HD12 LEU 21 HD12 LEU 21 191.963 -2.460 6.927 453 HD13 LEU 21 HD13 LEU 21 191.411 -2.142 8.572 454 HD21 LEU 21 HD21 LEU 21 189.225 -2.009 5.603 455 HD22 LEU 21 HD22 LEU 21 188.624 -3.661 5.743 456 HD23 LEU 21 HD23 LEU 21 190.283 -3.367 5.223 457 H ASP 22 HN ASP 22 190.442 -7.188 6.053 458 HA ASP 22 HA ASP 22 190.377 -9.356 8.014 459 HB2 ASP 22 HB2 ASP 22 189.621 -9.813 5.698 460 HB3 ASP 22 HB1 ASP 22 191.231 -9.408 5.111 461 H TYR 23 HN TYR 23 192.227 -6.917 7.979 462 HA TYR 23 HA TYR 23 194.844 -8.060 7.561 463 HB2 TYR 23 HB2 TYR 23 194.457 -5.700 7.053 464 HB3 TYR 23 HB1 TYR 23 193.997 -5.399 8.725 465 HD1 TYR 23 HD1 TYR 23 196.811 -6.194 6.481 466 HD2 TYR 23 HD2 TYR 23 195.652 -5.114 10.430 467 HE1 TYR 23 HE1 TYR 23 199.156 -5.697 7.028 468 HE2 TYR 23 HE2 TYR 23 197.993 -4.612 10.986 469 HH TYR 23 HH TYR 23 200.244 -5.221 10.206 470 H GLY 24 HN GLY 24 196.289 -8.708 9.102 471 HA2 GLY 24 HA2 GLY 24 197.054 -9.457 11.134 472 HA3 GLY 24 HA1 GLY 24 196.065 -8.203 11.865 473 H ASP 25 HN ASP 25 194.743 -9.006 13.342 474 HA ASP 25 HA ASP 25 193.930 -11.780 13.249 475 HB2 ASP 25 HB2 ASP 25 193.288 -9.605 15.253 476 HB3 ASP 25 HB1 ASP 25 192.894 -11.312 15.442 477 H GLY 26 HN GLY 26 192.549 -8.640 12.622 478 HA2 GLY 26 HA2 GLY 26 190.682 -8.581 11.044 479 HA3 GLY 26 HA1 GLY 26 190.023 -9.978 11.880 480 H LYS 27 HN LYS 27 191.440 -7.318 13.630 481 HA LYS 27 HA LYS 27 188.815 -6.749 14.789 482 HB2 LYS 27 HB2 LYS 27 191.583 -5.936 15.694 483 HB3 LYS 27 HB1 LYS 27 190.090 -5.567 16.548 484 HG2 LYS 27 HG2 LYS 27 189.681 -7.958 16.862 485 HG3 LYS 27 HG1 LYS 27 191.188 -8.321 16.017 486 HD2 LYS 27 HD2 LYS 27 192.442 -7.106 17.732 487 HD3 LYS 27 HD1 LYS 27 190.936 -6.737 18.574 488 HE2 LYS 27 HE2 LYS 27 190.538 -9.131 18.903 489 HE3 LYS 27 HE1 LYS 27 192.045 -9.496 18.063 490 HZ1 LYS 27 HZ1 LYS 27 192.334 -9.565 20.456 491 HZ2 LYS 27 HZ2 LYS 27 191.804 -7.966 20.597 492 HZ3 LYS 27 HZ3 LYS 27 193.250 -8.308 19.791 493 H TRP 28 HN TRP 28 191.332 -5.305 12.865 494 HA TRP 28 HA TRP 28 190.711 -2.601 13.153 495 HB2 TRP 28 HB2 TRP 28 191.724 -4.038 10.690 496 HB3 TRP 28 HB1 TRP 28 191.790 -2.299 10.957 497 HD1 TRP 28 HD1 TRP 28 193.449 -5.562 12.050 498 HE1 TRP 28 HE1 TRP 28 195.648 -5.004 13.265 499 HE3 TRP 28 HE3 TRP 28 192.949 -0.483 12.343 500 HZ2 TRP 28 HZ2 TRP 28 196.993 -2.713 14.222 501 HZ3 TRP 28 HZ3 TRP 28 194.736 0.819 13.423 502 HH2 TRP 28 HH2 TRP 28 196.715 -0.276 14.343 503 H VAL 29 HN VAL 29 189.215 -1.263 12.279 504 HA VAL 29 HA VAL 29 187.392 -2.313 10.243 505 HB VAL 29 HB VAL 29 185.426 -1.456 11.462 506 HG11 VAL 29 HG11 VAL 29 185.302 -3.251 13.132 507 HG12 VAL 29 HG12 VAL 29 187.041 -3.502 12.980 508 HG13 VAL 29 HG13 VAL 29 185.982 -3.817 11.606 509 HG21 VAL 29 HG21 VAL 29 186.534 0.211 12.849 510 HG22 VAL 29 HG22 VAL 29 187.370 -1.063 13.737 511 HG23 VAL 29 HG23 VAL 29 185.616 -0.917 13.850 512 H ALA 30 HN ALA 30 186.564 -0.791 8.863 513 HA ALA 30 HA ALA 30 187.707 1.898 9.112 514 HB1 ALA 30 HB1 ALA 30 188.242 0.662 7.067 515 HB2 ALA 30 HB2 ALA 30 187.307 2.116 6.720 516 HB3 ALA 30 HB3 ALA 30 186.523 0.537 6.695 517 H GLN 31 HN GLN 31 186.412 3.756 8.608 518 HA GLN 31 HA GLN 31 183.528 3.415 8.558 519 HB2 GLN 31 HB2 GLN 31 184.955 4.871 10.788 520 HB3 GLN 31 HB1 GLN 31 183.230 4.999 10.473 521 HG2 GLN 31 HG2 GLN 31 183.025 2.563 10.831 522 HG3 GLN 31 HG1 GLN 31 184.736 2.513 11.252 523 HE21 GLN 31 HE21 GLN 31 184.303 1.769 13.324 524 HE22 GLN 31 HE22 GLN 31 183.637 2.789 14.550 525 H TRP 32 HN TRP 32 182.418 5.174 7.733 526 HA TRP 32 HA TRP 32 183.710 7.693 7.259 527 HB2 TRP 32 HB2 TRP 32 183.572 7.589 4.791 528 HB3 TRP 32 HB1 TRP 32 184.720 6.425 5.445 529 HD1 TRP 32 HD1 TRP 32 181.479 6.656 3.493 530 HE1 TRP 32 HE1 TRP 32 180.829 4.311 2.655 531 HE3 TRP 32 HE3 TRP 32 184.906 3.887 6.089 532 HZ2 TRP 32 HZ2 TRP 32 181.659 1.641 3.043 533 HZ3 TRP 32 HZ3 TRP 32 184.910 1.444 5.799 534 HH2 TRP 32 HH2 TRP 32 183.319 0.345 4.307 535 H ASP 33 HN ASP 33 182.230 9.274 7.124 536 HA ASP 33 HA ASP 33 179.525 8.781 7.615 537 HB2 ASP 33 HB2 ASP 33 180.813 11.264 6.458 538 HB3 ASP 33 HB1 ASP 33 179.189 11.182 7.136 539 H THR 34 HN THR 34 177.666 9.046 6.319 540 HA THR 34 HA THR 34 177.973 9.265 3.443 541 HB THR 34 HB THR 34 176.777 7.171 2.959 542 HG1 THR 34 HG1 THR 34 175.897 6.084 4.541 543 HG21 THR 34 HG21 THR 34 179.232 7.192 2.907 544 HG22 THR 34 HG22 THR 34 178.609 5.622 3.416 545 HG23 THR 34 HG23 THR 34 179.268 6.738 4.612 546 H ALA 35 HN ALA 35 175.627 8.729 2.463 547 HA ALA 35 HA ALA 35 173.690 10.196 4.134 548 HB1 ALA 35 HB1 ALA 35 173.972 10.272 1.131 549 HB2 ALA 35 HB2 ALA 35 174.456 11.546 2.251 550 HB3 ALA 35 HB3 ALA 35 172.752 11.126 2.075 551 H VAL 36 HN VAL 36 171.863 9.157 4.598 552 HA VAL 36 HA VAL 36 171.034 6.925 2.863 553 HB VAL 36 HB VAL 36 170.788 6.968 5.873 554 HG11 VAL 36 HG11 VAL 36 169.024 5.704 4.775 555 HG12 VAL 36 HG12 VAL 36 170.138 4.619 5.607 556 HG13 VAL 36 HG13 VAL 36 170.226 4.797 3.856 557 HG21 VAL 36 HG21 VAL 36 172.707 5.434 4.122 558 HG22 VAL 36 HG22 VAL 36 172.514 5.223 5.863 559 HG23 VAL 36 HG23 VAL 36 173.121 6.749 5.221 560 H PHE 37 HN PHE 37 168.943 6.898 2.276 561 HA PHE 37 HA PHE 37 166.971 8.411 3.789 562 HB2 PHE 37 HB2 PHE 37 166.180 9.628 1.803 563 HB3 PHE 37 HB1 PHE 37 167.840 10.057 2.200 564 HD1 PHE 37 HD1 PHE 37 165.660 8.360 -0.188 565 HD2 PHE 37 HD2 PHE 37 169.671 9.422 0.758 566 HE1 PHE 37 HE1 PHE 37 166.345 7.803 -2.485 567 HE2 PHE 37 HE2 PHE 37 170.363 8.867 -1.537 568 HZ PHE 37 HZ PHE 37 168.699 8.056 -3.162 569 H HIS 38 HN HIS 38 164.800 7.841 3.303 570 HA HIS 38 HA HIS 38 164.532 5.115 2.409 571 HB2 HIS 38 HB2 HIS 38 163.281 5.932 4.363 572 HB3 HIS 38 HB1 HIS 38 162.430 7.084 3.339 573 HD1 HIS 38 HD1 HIS 38 160.385 6.258 2.130 574 HD2 HIS 38 HD2 HIS 38 162.583 3.181 3.854 575 HE1 HIS 38 HE1 HIS 38 158.959 4.199 1.896 576 HE2 HIS 38 HE2 HIS 38 160.309 2.348 2.946 577 H THR 39 HN THR 39 163.658 4.384 0.546 578 HA THR 39 HA THR 39 163.214 6.338 -1.564 579 HB THR 39 HB THR 39 163.180 4.401 -3.085 580 HG1 THR 39 HG1 THR 39 163.676 2.324 -2.149 581 HG21 THR 39 HG21 THR 39 165.325 5.439 -2.532 582 HG22 THR 39 HG22 THR 39 165.510 3.703 -2.781 583 HG23 THR 39 HG23 THR 39 165.496 4.363 -1.145 584 H THR 40 HN THR 40 161.340 6.427 -2.840 585 HA THR 40 HA THR 40 159.001 4.932 -1.919 586 HB THR 40 HB THR 40 157.607 6.964 -1.865 587 HG1 THR 40 HG1 THR 40 158.844 9.002 -1.735 588 HG21 THR 40 HG21 THR 40 159.999 7.090 -0.024 589 HG22 THR 40 HG22 THR 40 158.551 6.115 0.225 590 HG23 THR 40 HG23 THR 40 158.445 7.876 0.253 591 H1 ALA 1 HT1 ALA 1 175.748 3.637 -15.462 592 H2 ALA 1 HT2 ALA 1 175.169 4.787 -14.366 593 H3 ALA 1 HT3 ALA 1 174.371 4.546 -15.837 594 HA ALA 1 HA ALA 1 173.158 3.525 -14.029 595 HB1 ALA 1 HB1 ALA 1 172.910 1.312 -15.012 596 HB2 ALA 1 HB2 ALA 1 174.429 1.515 -15.883 597 HB3 ALA 1 HB3 ALA 1 173.049 2.542 -16.268 598 HA PRO 2 HA PRO 2 175.420 1.746 -10.684 599 HB2 PRO 2 HB2 PRO 2 173.551 0.088 -9.622 600 HB3 PRO 2 HB1 PRO 2 173.471 1.849 -9.464 601 HG2 PRO 2 HG2 PRO 2 172.012 0.069 -11.362 602 HG3 PRO 2 HG1 PRO 2 171.417 1.469 -10.450 603 HD2 PRO 2 HD2 PRO 2 172.086 1.620 -13.066 604 HD3 PRO 2 HD1 PRO 2 172.277 2.984 -11.945 605 H VAL 3 HN VAL 3 176.902 0.179 -10.589 606 HA VAL 3 HA VAL 3 176.299 -2.405 -11.868 607 HB VAL 3 HB VAL 3 178.670 -2.568 -12.536 608 HG11 VAL 3 HG11 VAL 3 178.562 -0.967 -14.393 609 HG12 VAL 3 HG12 VAL 3 177.236 -0.131 -13.585 610 HG13 VAL 3 HG13 VAL 3 177.022 -1.789 -14.145 611 HG21 VAL 3 HG21 VAL 3 179.694 -1.116 -10.912 612 HG22 VAL 3 HG22 VAL 3 178.808 0.274 -11.537 613 HG23 VAL 3 HG23 VAL 3 180.045 -0.500 -12.527 614 HA PRO 4 HA PRO 4 177.153 -4.026 -7.792 615 HB2 PRO 4 HB2 PRO 4 177.732 -6.505 -9.324 616 HB3 PRO 4 HB1 PRO 4 176.616 -6.248 -7.975 617 HG2 PRO 4 HG2 PRO 4 175.694 -6.548 -10.447 618 HG3 PRO 4 HG1 PRO 4 174.946 -5.399 -9.320 619 HD2 PRO 4 HD2 PRO 4 176.771 -4.869 -11.617 620 HD3 PRO 4 HD1 PRO 4 175.379 -3.932 -11.036 621 H VAL 5 HN VAL 5 178.950 -4.579 -6.576 622 HA VAL 5 HA VAL 5 181.511 -4.146 -7.880 623 HB VAL 5 HB VAL 5 180.914 -4.568 -4.947 624 HG11 VAL 5 HG11 VAL 5 183.373 -3.515 -6.343 625 HG12 VAL 5 HG12 VAL 5 183.226 -5.060 -5.505 626 HG13 VAL 5 HG13 VAL 5 183.124 -3.552 -4.597 627 HG21 VAL 5 HG21 VAL 5 181.129 -2.131 -4.753 628 HG22 VAL 5 HG22 VAL 5 179.777 -2.590 -5.788 629 HG23 VAL 5 HG23 VAL 5 181.280 -2.011 -6.505 630 H THR 6 HN THR 6 182.794 -5.735 -8.527 631 HA THR 6 HA THR 6 182.167 -8.480 -7.898 632 HB THR 6 HB THR 6 184.033 -9.043 -9.406 633 HG1 THR 6 HG1 THR 6 184.994 -7.162 -10.524 634 HG21 THR 6 HG21 THR 6 181.836 -8.651 -10.378 635 HG22 THR 6 HG22 THR 6 183.096 -8.066 -11.464 636 HG23 THR 6 HG23 THR 6 182.174 -6.923 -10.489 637 H LYS 7 HN LYS 7 184.552 -6.103 -6.968 638 HA LYS 7 HA LYS 7 185.428 -7.821 -4.801 639 HB2 LYS 7 HB2 LYS 7 186.912 -8.269 -6.826 640 HB3 LYS 7 HB1 LYS 7 187.499 -6.622 -6.638 641 HG2 LYS 7 HG2 LYS 7 188.339 -7.135 -4.431 642 HG3 LYS 7 HG1 LYS 7 187.671 -8.765 -4.530 643 HD2 LYS 7 HD2 LYS 7 189.122 -9.163 -6.520 644 HD3 LYS 7 HD1 LYS 7 189.866 -7.588 -6.233 645 HE2 LYS 7 HE2 LYS 7 190.579 -8.335 -4.014 646 HE3 LYS 7 HE1 LYS 7 189.833 -9.906 -4.302 647 HZ1 LYS 7 HZ1 LYS 7 192.078 -8.743 -5.862 648 HZ2 LYS 7 HZ2 LYS 7 191.360 -10.247 -6.146 649 HZ3 LYS 7 HZ3 LYS 7 192.208 -9.975 -4.709 650 H LEU 8 HN LEU 8 185.878 -6.662 -3.000 651 HA LEU 8 HA LEU 8 186.298 -3.764 -3.296 652 HB2 LEU 8 HB2 LEU 8 183.915 -4.493 -2.654 653 HB3 LEU 8 HB1 LEU 8 184.605 -4.933 -1.104 654 HG LEU 8 HG LEU 8 183.563 -2.736 -1.000 655 HD11 LEU 8 HD11 LEU 8 185.341 -1.534 0.027 656 HD12 LEU 8 HD12 LEU 8 186.552 -2.413 -0.904 657 HD13 LEU 8 HD13 LEU 8 185.614 -3.250 0.331 658 HD21 LEU 8 HD21 LEU 8 184.439 -0.858 -2.278 659 HD22 LEU 8 HD22 LEU 8 183.821 -2.115 -3.349 660 HD23 LEU 8 HD23 LEU 8 185.559 -1.934 -3.112 661 H VAL 9 HN VAL 9 188.263 -3.360 -2.524 662 HA VAL 9 HA VAL 9 189.152 -4.795 -0.109 663 HB VAL 9 HB VAL 9 191.461 -4.290 -0.807 664 HG11 VAL 9 HG11 VAL 9 189.837 -5.718 -2.909 665 HG12 VAL 9 HG12 VAL 9 190.452 -6.425 -1.415 666 HG13 VAL 9 HG13 VAL 9 191.575 -5.880 -2.661 667 HG21 VAL 9 HG21 VAL 9 190.171 -3.213 -3.313 668 HG22 VAL 9 HG22 VAL 9 191.900 -3.460 -3.071 669 HG23 VAL 9 HG23 VAL 9 191.034 -2.270 -2.099 670 H CYS 10 HN CYS 10 190.955 -3.432 1.047 671 HA CYS 10 HA CYS 10 190.340 -0.585 1.075 672 HB2 CYS 10 HB2 CYS 10 188.741 -1.551 2.667 673 HB3 CYS 10 HB1 CYS 10 190.061 -2.329 3.532 674 HG CYS 10 HG CYS 10 188.766 0.563 4.102 675 H ASP 11 HN ASP 11 192.093 0.626 1.482 676 HA ASP 11 HA ASP 11 194.551 -0.781 2.253 677 HB2 ASP 11 HB2 ASP 11 194.189 1.895 0.887 678 HB3 ASP 11 HB1 ASP 11 195.737 1.141 1.257 679 H GLY 12 HN GLY 12 195.259 -0.538 4.261 680 HA2 GLY 12 HA2 GLY 12 194.172 1.556 5.948 681 HA3 GLY 12 HA1 GLY 12 195.214 0.238 6.460 682 H ASP 13 HN ASP 13 197.101 0.946 4.200 683 HA ASP 13 HA ASP 13 198.923 2.465 5.662 684 HB2 ASP 13 HB2 ASP 13 198.773 2.089 2.663 685 HB3 ASP 13 HB1 ASP 13 200.179 2.673 3.548 686 H THR 14 HN THR 14 196.389 3.444 3.468 687 HA THR 14 HA THR 14 197.019 6.251 4.087 688 HB THR 14 HB THR 14 196.293 6.914 1.833 689 HG1 THR 14 HG1 THR 14 196.078 5.218 0.252 690 HG21 THR 14 HG21 THR 14 198.514 4.868 1.826 691 HG22 THR 14 HG22 THR 14 198.675 6.571 2.255 692 HG23 THR 14 HG23 THR 14 198.258 6.114 0.604 693 H TYR 15 HN TYR 15 194.903 3.927 4.700 694 HA TYR 15 HA TYR 15 192.723 3.838 5.333 695 HB2 TYR 15 HB2 TYR 15 192.899 6.858 5.336 696 HB3 TYR 15 HB1 TYR 15 191.704 5.878 6.181 697 HD1 TYR 15 HD1 TYR 15 192.578 4.263 7.986 698 HD2 TYR 15 HD2 TYR 15 194.883 7.469 6.401 699 HE1 TYR 15 HE1 TYR 15 194.035 4.186 9.965 700 HE2 TYR 15 HE2 TYR 15 196.348 7.399 8.374 701 HH TYR 15 HH TYR 15 196.320 4.835 10.596 702 H LYS 16 HN LYS 16 193.518 4.264 2.422 703 HA LYS 16 HA LYS 16 191.035 5.423 1.389 704 HB2 LYS 16 HB2 LYS 16 193.585 4.623 -0.024 705 HB3 LYS 16 HB1 LYS 16 192.171 5.298 -0.821 706 HG2 LYS 16 HG2 LYS 16 192.413 7.348 0.496 707 HG3 LYS 16 HG1 LYS 16 193.844 6.669 1.274 708 HD2 LYS 16 HD2 LYS 16 194.976 6.545 -0.879 709 HD3 LYS 16 HD1 LYS 16 193.535 7.163 -1.688 710 HE2 LYS 16 HE2 LYS 16 193.725 9.253 -0.431 711 HE3 LYS 16 HE1 LYS 16 195.160 8.634 0.385 712 HZ1 LYS 16 HZ1 LYS 16 196.279 8.512 -1.754 713 HZ2 LYS 16 HZ2 LYS 16 195.746 10.089 -1.450 714 HZ3 LYS 16 HZ3 LYS 16 194.901 9.106 -2.537 715 H CYS 17 HN CYS 17 189.412 4.151 0.815 716 HA CYS 17 HA CYS 17 189.851 1.279 0.592 717 HB2 CYS 17 HB2 CYS 17 188.003 2.074 1.996 718 HB3 CYS 17 HB1 CYS 17 187.287 2.887 0.609 719 HG CYS 17 HG CYS 17 186.880 0.438 -0.790 720 H THR 18 HN THR 18 189.968 0.237 -1.284 721 HA THR 18 HA THR 18 189.296 1.704 -3.738 722 HB THR 18 HB THR 18 190.962 -0.804 -3.441 723 HG1 THR 18 HG1 THR 18 191.829 1.867 -3.930 724 HG21 THR 18 HG21 THR 18 190.533 1.053 -5.784 725 HG22 THR 18 HG22 THR 18 189.966 -0.612 -5.649 726 HG23 THR 18 HG23 THR 18 191.694 -0.273 -5.738 727 H ALA 19 HN ALA 19 188.192 0.614 -5.461 728 HA ALA 19 HA ALA 19 186.753 -1.830 -4.752 729 HB1 ALA 19 HB1 ALA 19 185.325 0.053 -4.042 730 HB2 ALA 19 HB2 ALA 19 184.596 -0.907 -5.328 731 HB3 ALA 19 HB3 ALA 19 185.329 0.653 -5.701 732 H TYR 20 HN TYR 20 185.917 -2.981 -6.540 733 HA TYR 20 HA TYR 20 187.060 -2.148 -9.125 734 HB2 TYR 20 HB2 TYR 20 186.540 -4.930 -8.054 735 HB3 TYR 20 HB1 TYR 20 187.087 -4.577 -9.690 736 HD1 TYR 20 HD1 TYR 20 188.041 -4.707 -6.160 737 HD2 TYR 20 HD2 TYR 20 189.363 -3.815 -10.104 738 HE1 TYR 20 HE1 TYR 20 190.372 -4.742 -5.379 739 HE2 TYR 20 HE2 TYR 20 191.698 -3.848 -9.334 740 HH TYR 20 HH TYR 20 192.952 -3.562 -7.242 741 H LEU 21 HN LEU 21 185.565 -1.418 -10.472 742 HA LEU 21 HA LEU 21 182.786 -2.134 -10.171 743 HB2 LEU 21 HB2 LEU 21 184.155 -0.422 -12.248 744 HB3 LEU 21 HB1 LEU 21 182.421 -0.573 -12.040 745 HG LEU 21 HG LEU 21 184.349 0.628 -10.051 746 HD11 LEU 21 HD11 LEU 21 183.178 2.715 -10.550 747 HD12 LEU 21 HD12 LEU 21 182.213 1.882 -11.769 748 HD13 LEU 21 HD13 LEU 21 183.956 2.050 -11.987 749 HD21 LEU 21 HD21 LEU 21 182.353 1.216 -8.770 750 HD22 LEU 21 HD22 LEU 21 182.523 -0.532 -8.928 751 HD23 LEU 21 HD23 LEU 21 181.351 0.334 -9.921 752 H ASP 22 HN ASP 22 181.485 -3.108 -11.776 753 HA ASP 22 HA ASP 22 182.943 -5.048 -13.408 754 HB2 ASP 22 HB2 ASP 22 181.185 -5.864 -11.861 755 HB3 ASP 22 HB1 ASP 22 179.993 -4.917 -12.746 756 H TYR 23 HN TYR 23 182.407 -2.101 -14.035 757 HA TYR 23 HA TYR 23 180.692 -2.206 -16.356 758 HB2 TYR 23 HB2 TYR 23 180.745 -0.187 -14.978 759 HB3 TYR 23 HB1 TYR 23 182.467 0.001 -15.291 760 HD1 TYR 23 HD1 TYR 23 179.104 0.204 -16.785 761 HD2 TYR 23 HD2 TYR 23 183.254 0.962 -17.336 762 HE1 TYR 23 HE1 TYR 23 178.588 1.565 -18.767 763 HE2 TYR 23 HE2 TYR 23 182.750 2.326 -19.318 764 HH TYR 23 HH TYR 23 180.957 2.561 -20.982 765 H GLY 24 HN GLY 24 181.303 -2.196 -18.479 766 HA2 GLY 24 HA2 GLY 24 182.640 -2.507 -20.318 767 HA3 GLY 24 HA1 GLY 24 183.907 -1.680 -19.425 768 H ASP 25 HN ASP 25 185.696 -2.846 -19.336 769 HA ASP 25 HA ASP 25 185.603 -5.725 -19.602 770 HB2 ASP 25 HB2 ASP 25 187.956 -3.851 -19.270 771 HB3 ASP 25 HB1 ASP 25 188.067 -5.570 -19.636 772 H GLY 26 HN GLY 26 186.111 -3.357 -17.093 773 HA2 GLY 26 HA2 GLY 26 185.577 -4.073 -14.816 774 HA3 GLY 26 HA1 GLY 26 186.421 -5.574 -15.164 775 H LYS 27 HN LYS 27 187.682 -2.497 -16.209 776 HA LYS 27 HA LYS 27 189.973 -2.892 -14.432 777 HB2 LYS 27 HB2 LYS 27 189.624 -1.064 -16.816 778 HB3 LYS 27 HB1 LYS 27 191.105 -1.238 -15.882 779 HG2 LYS 27 HG2 LYS 27 191.238 -3.591 -16.535 780 HG3 LYS 27 HG1 LYS 27 189.760 -3.407 -17.482 781 HD2 LYS 27 HD2 LYS 27 190.866 -1.733 -18.883 782 HD3 LYS 27 HD1 LYS 27 192.342 -1.912 -17.933 783 HE2 LYS 27 HE2 LYS 27 192.483 -4.262 -18.604 784 HE3 LYS 27 HE1 LYS 27 191.009 -4.079 -19.553 785 HZ1 LYS 27 HZ1 LYS 27 192.975 -3.922 -20.942 786 HZ2 LYS 27 HZ2 LYS 27 193.560 -2.630 -20.020 787 HZ3 LYS 27 HZ3 LYS 27 192.146 -2.447 -20.930 788 H TRP 28 HN TRP 28 187.335 -0.707 -15.057 789 HA TRP 28 HA TRP 28 188.242 1.582 -13.746 790 HB2 TRP 28 HB2 TRP 28 185.416 0.509 -13.904 791 HB3 TRP 28 HB1 TRP 28 185.860 2.158 -13.475 792 HD1 TRP 28 HD1 TRP 28 185.620 -0.197 -16.475 793 HE1 TRP 28 HE1 TRP 28 185.768 1.198 -18.633 794 HE3 TRP 28 HE3 TRP 28 186.801 4.340 -14.433 795 HZ2 TRP 28 HZ2 TRP 28 186.312 3.867 -19.373 796 HZ3 TRP 28 HZ3 TRP 28 187.119 6.263 -15.935 797 HH2 TRP 28 HH2 TRP 28 186.880 6.029 -18.354 798 H VAL 29 HN VAL 29 188.337 2.223 -11.654 799 HA VAL 29 HA VAL 29 187.229 0.473 -9.584 800 HB VAL 29 HB VAL 29 189.313 0.595 -8.270 801 HG11 VAL 29 HG11 VAL 29 190.592 -1.036 -9.586 802 HG12 VAL 29 HG12 VAL 29 189.634 -0.628 -11.008 803 HG13 VAL 29 HG13 VAL 29 188.863 -1.380 -9.612 804 HG21 VAL 29 HG21 VAL 29 190.259 2.617 -9.240 805 HG22 VAL 29 HG22 VAL 29 190.485 1.791 -10.781 806 HG23 VAL 29 HG23 VAL 29 191.402 1.279 -9.363 807 H ALA 30 HN ALA 30 186.599 1.510 -7.730 808 HA ALA 30 HA ALA 30 186.669 4.441 -7.835 809 HB1 ALA 30 HB1 ALA 30 184.457 3.397 -7.733 810 HB2 ALA 30 HB2 ALA 30 184.775 4.381 -6.305 811 HB3 ALA 30 HB3 ALA 30 184.893 2.624 -6.210 812 H GLN 31 HN GLN 31 187.068 5.657 -5.900 813 HA GLN 31 HA GLN 31 188.288 4.265 -3.661 814 HB2 GLN 31 HB2 GLN 31 189.802 6.251 -5.360 815 HB3 GLN 31 HB1 GLN 31 190.327 5.712 -3.772 816 HG2 GLN 31 HG2 GLN 31 190.401 3.395 -4.625 817 HG3 GLN 31 HG1 GLN 31 189.986 4.006 -6.226 818 HE21 GLN 31 HE21 GLN 31 191.906 3.255 -7.115 819 HE22 GLN 31 HE22 GLN 31 193.427 4.011 -6.798 820 H TRP 32 HN TRP 32 188.307 5.442 -1.759 821 HA TRP 32 HA TRP 32 187.651 8.236 -1.701 822 HB2 TRP 32 HB2 TRP 32 185.527 7.971 -0.461 823 HB3 TRP 32 HB1 TRP 32 185.421 7.348 -2.105 824 HD1 TRP 32 HD1 TRP 32 185.207 6.264 1.522 825 HE1 TRP 32 HE1 TRP 32 184.443 3.809 1.624 826 HE3 TRP 32 HE3 TRP 32 185.554 5.097 -3.445 827 HZ2 TRP 32 HZ2 TRP 32 184.040 1.661 -0.163 828 HZ3 TRP 32 HZ3 TRP 32 184.961 2.821 -4.165 829 HH2 TRP 32 HH2 TRP 32 184.220 1.139 -2.557 830 H ASP 33 HN ASP 33 188.422 9.142 0.113 831 HA ASP 33 HA ASP 33 190.016 7.703 1.898 832 HB2 ASP 33 HB2 ASP 33 188.753 10.428 2.270 833 HB3 ASP 33 HB1 ASP 33 190.076 9.780 3.236 834 H THR 34 HN THR 34 189.756 7.193 4.107 835 HA THR 34 HA THR 34 187.116 7.374 5.294 836 HB THR 34 HB THR 34 186.945 4.965 5.759 837 HG1 THR 34 HG1 THR 34 188.588 3.705 5.343 838 HG21 THR 34 HG21 THR 34 185.786 5.897 3.806 839 HG22 THR 34 HG22 THR 34 186.300 4.234 3.520 840 HG23 THR 34 HG23 THR 34 187.207 5.571 2.812 841 H ALA 35 HN ALA 35 187.246 5.958 7.469 842 HA ALA 35 HA ALA 35 189.798 6.676 8.760 843 HB1 ALA 35 HB1 ALA 35 187.036 6.710 9.976 844 HB2 ALA 35 HB2 ALA 35 187.977 8.123 9.500 845 HB3 ALA 35 HB3 ALA 35 188.540 7.092 10.816 846 H VAL 36 HN VAL 36 190.893 5.056 9.655 847 HA VAL 36 HA VAL 36 189.438 2.595 10.366 848 HB VAL 36 HB VAL 36 192.204 2.686 9.157 849 HG11 VAL 36 HG11 VAL 36 191.865 0.806 10.662 850 HG12 VAL 36 HG12 VAL 36 191.943 0.254 8.989 851 HG13 VAL 36 HG13 VAL 36 190.385 0.369 9.808 852 HG21 VAL 36 HG21 VAL 36 189.579 1.895 7.896 853 HG22 VAL 36 HG22 VAL 36 191.170 1.712 7.156 854 HG23 VAL 36 HG23 VAL 36 190.538 3.322 7.502 855 H PHE 37 HN PHE 37 189.867 1.762 12.325 856 HA PHE 37 HA PHE 37 192.303 2.505 13.735 857 HB2 PHE 37 HB2 PHE 37 191.081 3.243 15.738 858 HB3 PHE 37 HB1 PHE 37 190.735 4.278 14.357 859 HD1 PHE 37 HD1 PHE 37 189.390 1.779 16.657 860 HD2 PHE 37 HD2 PHE 37 188.547 4.302 13.335 861 HE1 PHE 37 HE1 PHE 37 186.982 1.408 16.993 862 HE2 PHE 37 HE2 PHE 37 186.136 3.936 13.666 863 HZ PHE 37 HZ PHE 37 185.351 2.488 15.496 864 H HIS 38 HN HIS 38 192.783 1.144 15.523 865 HA HIS 38 HA HIS 38 191.744 -1.525 15.210 866 HB2 HIS 38 HB2 HIS 38 194.144 -1.141 15.585 867 HB3 HIS 38 HB1 HIS 38 193.788 -0.439 17.159 868 HD1 HIS 38 HD1 HIS 38 193.539 -2.024 19.097 869 HD2 HIS 38 HD2 HIS 38 193.635 -3.976 15.428 870 HE1 HIS 38 HE1 HIS 38 193.698 -4.474 19.642 871 HE2 HIS 38 HE2 HIS 38 193.755 -5.637 17.407 872 H THR 39 HN THR 39 190.402 -2.618 16.541 873 HA THR 39 HA THR 39 189.013 -1.072 18.580 874 HB THR 39 HB THR 39 187.425 -2.952 18.649 875 HG1 THR 39 HG1 THR 39 187.738 -4.648 17.080 876 HG21 THR 39 HG21 THR 39 187.079 -1.165 17.015 877 HG22 THR 39 HG22 THR 39 186.537 -2.717 16.376 878 HG23 THR 39 HG23 THR 39 188.074 -2.033 15.846 879 H THR 40 HN THR 40 188.754 -1.748 20.730 880 HA THR 40 HA THR 40 190.423 -3.960 21.666 881 HB THR 40 HB THR 40 191.383 -2.593 23.477 882 HG1 THR 40 HG1 THR 40 191.215 -0.236 23.127 883 HG21 THR 40 HG21 THR 40 191.933 -1.498 20.716 884 HG22 THR 40 HG22 THR 40 192.677 -2.928 21.430 885 HG23 THR 40 HG23 THR 40 192.992 -1.335 22.117 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 170.620 0.354 16.096 2 H2 ALA 1 HT2 ALA 1 170.108 -0.069 14.540 3 H3 ALA 1 HT3 ALA 1 171.359 1.051 14.743 4 HA ALA 1 HA ALA 1 172.778 -0.631 15.693 5 HB1 ALA 1 HB1 ALA 1 170.491 -2.508 15.109 6 HB2 ALA 1 HB2 ALA 1 171.005 -1.976 16.711 7 HB3 ALA 1 HB3 ALA 1 172.081 -2.963 15.722 8 HA PRO 2 HA PRO 2 174.382 -1.059 11.615 9 HB2 PRO 2 HB2 PRO 2 175.493 -3.668 12.513 10 HB3 PRO 2 HB1 PRO 2 176.322 -2.274 11.807 11 HG2 PRO 2 HG2 PRO 2 176.550 -2.801 14.398 12 HG3 PRO 2 HG1 PRO 2 176.429 -1.131 13.807 13 HD2 PRO 2 HD2 PRO 2 174.361 -2.814 15.139 14 HD3 PRO 2 HD1 PRO 2 174.666 -1.071 15.280 15 H VAL 3 HN VAL 3 174.094 -2.221 9.680 16 HA VAL 3 HA VAL 3 172.424 -4.619 9.782 17 HB VAL 3 HB VAL 3 170.924 -3.738 8.028 18 HG11 VAL 3 HG11 VAL 3 169.608 -2.267 9.485 19 HG12 VAL 3 HG12 VAL 3 170.998 -2.097 10.559 20 HG13 VAL 3 HG13 VAL 3 170.226 -3.671 10.357 21 HG21 VAL 3 HG21 VAL 3 170.866 -1.263 7.688 22 HG22 VAL 3 HG22 VAL 3 172.291 -2.054 7.019 23 HG23 VAL 3 HG23 VAL 3 172.410 -1.164 8.537 24 HA PRO 4 HA PRO 4 175.529 -5.831 6.789 25 HB2 PRO 4 HB2 PRO 4 173.511 -7.913 6.145 26 HB3 PRO 4 HB1 PRO 4 175.213 -8.094 6.596 27 HG2 PRO 4 HG2 PRO 4 173.289 -8.695 8.325 28 HG3 PRO 4 HG1 PRO 4 174.793 -7.916 8.854 29 HD2 PRO 4 HD2 PRO 4 172.085 -6.724 8.473 30 HD3 PRO 4 HD1 PRO 4 173.311 -6.379 9.711 31 H VAL 5 HN VAL 5 175.822 -5.623 4.595 32 HA VAL 5 HA VAL 5 173.637 -4.363 3.139 33 HB VAL 5 HB VAL 5 176.515 -4.746 2.298 34 HG11 VAL 5 HG11 VAL 5 174.355 -2.962 1.178 35 HG12 VAL 5 HG12 VAL 5 174.994 -4.419 0.416 36 HG13 VAL 5 HG13 VAL 5 176.035 -3.014 0.643 37 HG21 VAL 5 HG21 VAL 5 176.819 -2.399 2.917 38 HG22 VAL 5 HG22 VAL 5 176.351 -3.375 4.309 39 HG23 VAL 5 HG23 VAL 5 175.162 -2.341 3.517 40 H THR 6 HN THR 6 172.683 -5.172 1.327 41 HA THR 6 HA THR 6 173.315 -7.967 0.667 42 HB THR 6 HB THR 6 171.053 -8.091 -0.300 43 HG1 THR 6 HG1 THR 6 169.823 -6.348 -0.483 44 HG21 THR 6 HG21 THR 6 169.789 -7.947 1.798 45 HG22 THR 6 HG22 THR 6 171.097 -7.014 2.522 46 HG23 THR 6 HG23 THR 6 171.367 -8.691 2.049 47 H LYS 7 HN LYS 7 172.168 -5.002 -0.951 48 HA LYS 7 HA LYS 7 173.621 -5.866 -3.364 49 HB2 LYS 7 HB2 LYS 7 171.197 -5.735 -3.696 50 HB3 LYS 7 HB1 LYS 7 171.199 -4.069 -3.133 51 HG2 LYS 7 HG2 LYS 7 172.498 -3.379 -5.042 52 HG3 LYS 7 HG1 LYS 7 172.649 -5.052 -5.581 53 HD2 LYS 7 HD2 LYS 7 170.226 -5.176 -5.882 54 HD3 LYS 7 HD1 LYS 7 170.067 -3.508 -5.328 55 HE2 LYS 7 HE2 LYS 7 171.637 -4.385 -7.750 56 HE3 LYS 7 HE1 LYS 7 170.001 -3.729 -7.792 57 HZ1 LYS 7 HZ1 LYS 7 170.803 -1.665 -6.902 58 HZ2 LYS 7 HZ2 LYS 7 171.729 -2.061 -8.261 59 HZ3 LYS 7 HZ3 LYS 7 172.363 -2.291 -6.711 60 H LEU 8 HN LEU 8 175.250 -4.632 -4.064 61 HA LEU 8 HA LEU 8 175.401 -1.842 -3.157 62 HB2 LEU 8 HB2 LEU 8 176.856 -3.531 -1.843 63 HB3 LEU 8 HB1 LEU 8 177.845 -3.581 -3.289 64 HG LEU 8 HG LEU 8 178.817 -2.045 -1.706 65 HD11 LEU 8 HD11 LEU 8 178.896 -1.494 -4.128 66 HD12 LEU 8 HD12 LEU 8 179.016 -0.089 -3.070 67 HD13 LEU 8 HD13 LEU 8 177.498 -0.446 -3.891 68 HD21 LEU 8 HD21 LEU 8 177.627 -0.049 -0.948 69 HD22 LEU 8 HD22 LEU 8 176.812 -1.523 -0.424 70 HD23 LEU 8 HD23 LEU 8 176.173 -0.596 -1.782 71 H VAL 9 HN VAL 9 175.217 -0.713 -4.984 72 HA VAL 9 HA VAL 9 176.930 -1.476 -7.256 73 HB VAL 9 HB VAL 9 175.206 -0.581 -8.786 74 HG11 VAL 9 HG11 VAL 9 173.652 -2.474 -8.603 75 HG12 VAL 9 HG12 VAL 9 174.271 -2.813 -6.987 76 HG13 VAL 9 HG13 VAL 9 175.330 -2.973 -8.388 77 HG21 VAL 9 HG21 VAL 9 174.076 0.923 -7.238 78 HG22 VAL 9 HG22 VAL 9 173.495 -0.455 -6.303 79 HG23 VAL 9 HG23 VAL 9 172.929 -0.209 -7.955 80 H CYS 10 HN CYS 10 177.981 0.163 -8.322 81 HA CYS 10 HA CYS 10 177.752 2.835 -7.105 82 HB2 CYS 10 HB2 CYS 10 179.914 1.763 -6.674 83 HB3 CYS 10 HB1 CYS 10 180.157 1.537 -8.402 84 HG CYS 10 HG CYS 10 180.061 4.535 -6.754 85 H ASP 11 HN ASP 11 178.103 4.672 -8.492 86 HA ASP 11 HA ASP 11 177.443 4.124 -11.313 87 HB2 ASP 11 HB2 ASP 11 176.541 6.455 -9.606 88 HB3 ASP 11 HB1 ASP 11 176.193 6.257 -11.321 89 H GLY 12 HN GLY 12 179.203 4.499 -12.493 90 HA2 GLY 12 HA2 GLY 12 181.327 6.201 -11.688 91 HA3 GLY 12 HA1 GLY 12 181.129 5.478 -13.277 92 H ASP 13 HN ASP 13 178.383 6.805 -13.392 93 HA ASP 13 HA ASP 13 179.070 8.996 -14.958 94 HB2 ASP 13 HB2 ASP 13 176.486 8.502 -13.464 95 HB3 ASP 13 HB1 ASP 13 176.695 9.655 -14.778 96 H THR 14 HN THR 14 177.558 9.150 -11.726 97 HA THR 14 HA THR 14 178.667 11.847 -11.410 98 HB THR 14 HB THR 14 177.105 12.072 -9.511 99 HG1 THR 14 HG1 THR 14 176.087 9.537 -10.324 100 HG21 THR 14 HG21 THR 14 175.030 12.105 -10.823 101 HG22 THR 14 HG22 THR 14 175.805 11.127 -12.070 102 HG23 THR 14 HG23 THR 14 176.384 12.761 -11.743 103 H TYR 15 HN TYR 15 179.853 8.954 -10.874 104 HA TYR 15 HA TYR 15 181.381 8.047 -9.459 105 HB2 TYR 15 HB2 TYR 15 181.667 10.874 -8.422 106 HB3 TYR 15 HB1 TYR 15 182.831 9.567 -8.233 107 HD1 TYR 15 HD1 TYR 15 183.641 8.493 -10.520 108 HD2 TYR 15 HD2 TYR 15 182.004 12.398 -10.122 109 HE1 TYR 15 HE1 TYR 15 184.734 9.158 -12.619 110 HE2 TYR 15 HE2 TYR 15 183.090 13.075 -12.221 111 HH TYR 15 HH TYR 15 185.001 12.392 -13.610 112 H LYS 16 HN LYS 16 178.507 8.456 -8.604 113 HA LYS 16 HA LYS 16 178.806 8.535 -5.695 114 HB2 LYS 16 HB2 LYS 16 176.331 8.452 -7.426 115 HB3 LYS 16 HB1 LYS 16 176.323 8.528 -5.671 116 HG2 LYS 16 HG2 LYS 16 177.673 10.674 -5.923 117 HG3 LYS 16 HG1 LYS 16 177.213 10.621 -7.626 118 HD2 LYS 16 HD2 LYS 16 175.177 10.456 -5.422 119 HD3 LYS 16 HD1 LYS 16 175.751 12.002 -6.045 120 HE2 LYS 16 HE2 LYS 16 173.693 11.376 -7.152 121 HE3 LYS 16 HE1 LYS 16 175.029 11.339 -8.300 122 HZ1 LYS 16 HZ1 LYS 16 173.290 9.387 -8.119 123 HZ2 LYS 16 HZ2 LYS 16 174.365 8.847 -6.928 124 HZ3 LYS 16 HZ3 LYS 16 174.910 9.100 -8.509 125 H CYS 17 HN CYS 17 178.399 6.821 -4.371 126 HA CYS 17 HA CYS 17 178.001 4.224 -5.703 127 HB2 CYS 17 HB2 CYS 17 180.196 4.448 -4.629 128 HB3 CYS 17 HB1 CYS 17 179.417 4.836 -3.100 129 HG CYS 17 HG CYS 17 178.034 2.202 -3.286 130 H THR 18 HN THR 18 176.002 3.491 -5.448 131 HA THR 18 HA THR 18 174.434 4.274 -3.121 132 HB THR 18 HB THR 18 173.593 2.632 -5.519 133 HG1 THR 18 HG1 THR 18 174.231 4.903 -5.895 134 HG21 THR 18 HG21 THR 18 172.163 2.260 -3.583 135 HG22 THR 18 HG22 THR 18 171.309 3.213 -4.797 136 HG23 THR 18 HG23 THR 18 171.975 4.000 -3.365 137 H ALA 19 HN ALA 19 173.332 2.742 -1.797 138 HA ALA 19 HA ALA 19 174.235 -0.028 -1.918 139 HB1 ALA 19 HB1 ALA 19 175.894 1.143 -0.521 140 HB2 ALA 19 HB2 ALA 19 174.983 -0.066 0.383 141 HB3 ALA 19 HB3 ALA 19 174.598 1.645 0.565 142 H TYR 20 HN TYR 20 172.906 -1.488 -0.790 143 HA TYR 20 HA TYR 20 170.304 -0.365 0.006 144 HB2 TYR 20 HB2 TYR 20 170.987 -3.063 -1.172 145 HB3 TYR 20 HB1 TYR 20 169.394 -2.633 -0.560 146 HD1 TYR 20 HD1 TYR 20 167.847 -1.563 -1.949 147 HD2 TYR 20 HD2 TYR 20 171.948 -1.636 -3.075 148 HE1 TYR 20 HE1 TYR 20 167.256 -0.614 -4.139 149 HE2 TYR 20 HE2 TYR 20 171.370 -0.686 -5.267 150 HH TYR 20 HH TYR 20 168.331 0.662 -5.943 151 H LEU 21 HN LEU 21 169.908 -0.413 2.105 152 HA LEU 21 HA LEU 21 171.426 -2.190 3.837 153 HB2 LEU 21 HB2 LEU 21 169.431 -0.028 4.515 154 HB3 LEU 21 HB1 LEU 21 170.420 -0.899 5.671 155 HG LEU 21 HG LEU 21 171.445 0.959 3.522 156 HD11 LEU 21 HD11 LEU 21 172.072 2.395 5.404 157 HD12 LEU 21 HD12 LEU 21 171.293 1.271 6.516 158 HD13 LEU 21 HD13 LEU 21 170.328 2.144 5.326 159 HD21 LEU 21 HD21 LEU 21 172.918 -0.536 5.689 160 HD22 LEU 21 HD22 LEU 21 173.621 0.658 4.598 161 HD23 LEU 21 HD23 LEU 21 173.002 -0.864 3.958 162 H ASP 22 HN ASP 22 170.342 -3.398 5.555 163 HA ASP 22 HA ASP 22 167.787 -4.518 4.614 164 HB2 ASP 22 HB2 ASP 22 169.713 -6.087 4.658 165 HB3 ASP 22 HB1 ASP 22 169.870 -5.811 6.389 166 H TYR 23 HN TYR 23 168.138 -2.130 6.295 167 HA TYR 23 HA TYR 23 167.692 -2.587 9.001 168 HB2 TYR 23 HB2 TYR 23 168.166 -0.368 8.037 169 HB3 TYR 23 HB1 TYR 23 166.569 -0.354 7.295 170 HD1 TYR 23 HD1 TYR 23 164.564 -0.055 8.667 171 HD2 TYR 23 HD2 TYR 23 168.449 0.038 10.398 172 HE1 TYR 23 HE1 TYR 23 163.628 0.965 10.699 173 HE2 TYR 23 HE2 TYR 23 167.524 1.058 12.435 174 HH TYR 23 HH TYR 23 164.196 1.182 13.081 175 H GLY 24 HN GLY 24 165.487 -2.748 6.286 176 HA2 GLY 24 HA2 GLY 24 163.544 -4.120 7.940 177 HA3 GLY 24 HA1 GLY 24 163.004 -2.569 7.314 178 H ASP 25 HN ASP 25 161.877 -2.682 5.500 179 HA ASP 25 HA ASP 25 161.520 -5.044 4.034 180 HB2 ASP 25 HB2 ASP 25 159.871 -3.217 4.070 181 HB3 ASP 25 HB1 ASP 25 160.985 -2.192 3.171 182 H GLY 26 HN GLY 26 163.829 -2.454 3.730 183 HA2 GLY 26 HA2 GLY 26 165.942 -2.965 2.649 184 HA3 GLY 26 HA1 GLY 26 165.043 -3.895 1.460 185 H LYS 27 HN LYS 27 163.892 -0.798 2.556 186 HA LYS 27 HA LYS 27 164.232 0.244 -0.149 187 HB2 LYS 27 HB2 LYS 27 162.688 1.339 2.211 188 HB3 LYS 27 HB1 LYS 27 162.711 2.046 0.600 189 HG2 LYS 27 HG2 LYS 27 161.692 0.019 -0.307 190 HG3 LYS 27 HG1 LYS 27 161.667 -0.687 1.310 191 HD2 LYS 27 HD2 LYS 27 160.201 1.115 2.075 192 HD3 LYS 27 HD1 LYS 27 160.234 1.830 0.463 193 HE2 LYS 27 HE2 LYS 27 159.161 -0.899 1.170 194 HE3 LYS 27 HE1 LYS 27 158.193 0.534 0.823 195 HZ1 LYS 27 HZ1 LYS 27 159.109 0.569 -1.412 196 HZ2 LYS 27 HZ2 LYS 27 158.353 -0.913 -1.102 197 HZ3 LYS 27 HZ3 LYS 27 160.041 -0.803 -1.080 198 H TRP 28 HN TRP 28 165.287 0.814 3.140 199 HA TRP 28 HA TRP 28 166.411 3.362 2.812 200 HB2 TRP 28 HB2 TRP 28 167.307 1.129 4.648 201 HB3 TRP 28 HB1 TRP 28 167.753 2.826 4.805 202 HD1 TRP 28 HD1 TRP 28 164.826 0.434 5.359 203 HE1 TRP 28 HE1 TRP 28 163.057 1.615 6.808 204 HE3 TRP 28 HE3 TRP 28 166.828 5.138 5.412 205 HZ2 TRP 28 HZ2 TRP 28 162.574 4.199 7.836 206 HZ3 TRP 28 HZ3 TRP 28 165.650 6.907 6.651 207 HH2 TRP 28 HH2 TRP 28 163.567 6.445 7.838 208 H VAL 29 HN VAL 29 168.018 3.999 1.548 209 HA VAL 29 HA VAL 29 170.203 2.108 0.978 210 HB VAL 29 HB VAL 29 170.376 3.025 -1.300 211 HG11 VAL 29 HG11 VAL 29 169.129 0.971 -0.944 212 HG12 VAL 29 HG12 VAL 29 168.390 1.924 -2.232 213 HG13 VAL 29 HG13 VAL 29 167.661 1.897 -0.627 214 HG21 VAL 29 HG21 VAL 29 168.548 4.381 -2.217 215 HG22 VAL 29 HG22 VAL 29 169.385 5.215 -0.909 216 HG23 VAL 29 HG23 VAL 29 167.815 4.467 -0.615 217 H ALA 30 HN ALA 30 172.256 2.947 0.895 218 HA ALA 30 HA ALA 30 172.527 5.711 1.855 219 HB1 ALA 30 HB1 ALA 30 173.472 3.960 3.294 220 HB2 ALA 30 HB2 ALA 30 174.714 5.056 2.687 221 HB3 ALA 30 HB3 ALA 30 174.526 3.455 1.972 222 H GLN 31 HN GLN 31 174.196 7.058 0.990 223 HA GLN 31 HA GLN 31 175.435 6.237 -1.508 224 HB2 GLN 31 HB2 GLN 31 173.497 8.543 -1.316 225 HB3 GLN 31 HB1 GLN 31 174.615 8.321 -2.655 226 HG2 GLN 31 HG2 GLN 31 173.564 6.090 -3.053 227 HG3 GLN 31 HG1 GLN 31 172.354 6.514 -1.844 228 HE21 GLN 31 HE21 GLN 31 173.582 7.163 -5.026 229 HE22 GLN 31 HE22 GLN 31 172.232 8.089 -5.582 230 H TRP 32 HN TRP 32 177.382 7.152 -1.817 231 HA TRP 32 HA TRP 32 178.079 9.620 -0.438 232 HB2 TRP 32 HB2 TRP 32 180.115 8.631 0.552 233 HB3 TRP 32 HB1 TRP 32 178.646 7.914 1.208 234 HD1 TRP 32 HD1 TRP 32 181.750 7.067 -0.804 235 HE1 TRP 32 HE1 TRP 32 181.867 4.517 -1.136 236 HE3 TRP 32 HE3 TRP 32 177.120 5.804 0.960 237 HZ2 TRP 32 HZ2 TRP 32 180.216 2.268 -0.708 238 HZ3 TRP 32 HZ3 TRP 32 176.466 3.432 0.963 239 HH2 TRP 32 HH2 TRP 32 177.983 1.702 0.146 240 H ASP 33 HN ASP 33 179.456 10.846 -1.585 241 HA ASP 33 HA ASP 33 180.062 10.196 -4.252 242 HB2 ASP 33 HB2 ASP 33 181.280 12.330 -2.485 243 HB3 ASP 33 HB1 ASP 33 181.420 12.258 -4.239 244 H THR 34 HN THR 34 182.035 9.744 -5.275 245 HA THR 34 HA THR 34 184.331 9.054 -3.619 246 HB THR 34 HB THR 34 184.574 6.821 -4.600 247 HG1 THR 34 HG1 THR 34 183.334 6.206 -6.204 248 HG21 THR 34 HG21 THR 34 183.404 7.053 -2.454 249 HG22 THR 34 HG22 THR 34 182.773 5.699 -3.392 250 HG23 THR 34 HG23 THR 34 181.871 7.212 -3.311 251 H ALA 35 HN ALA 35 186.046 7.993 -5.274 252 HA ALA 35 HA ALA 35 186.107 9.770 -7.627 253 HB1 ALA 35 HB1 ALA 35 188.535 9.881 -7.388 254 HB2 ALA 35 HB2 ALA 35 188.445 8.858 -5.954 255 HB3 ALA 35 HB3 ALA 35 187.724 10.467 -5.935 256 H VAL 36 HN VAL 36 185.891 8.648 -9.441 257 HA VAL 36 HA VAL 36 187.020 5.927 -9.563 258 HB VAL 36 HB VAL 36 184.800 7.052 -11.274 259 HG11 VAL 36 HG11 VAL 36 185.838 4.240 -10.935 260 HG12 VAL 36 HG12 VAL 36 186.057 5.271 -12.350 261 HG13 VAL 36 HG13 VAL 36 184.444 4.710 -11.909 262 HG21 VAL 36 HG21 VAL 36 184.060 6.893 -8.966 263 HG22 VAL 36 HG22 VAL 36 184.638 5.229 -8.876 264 HG23 VAL 36 HG23 VAL 36 183.293 5.639 -9.941 265 H PHE 37 HN PHE 37 188.341 5.362 -11.241 266 HA PHE 37 HA PHE 37 188.740 7.147 -13.482 267 HB2 PHE 37 HB2 PHE 37 191.164 7.405 -13.085 268 HB3 PHE 37 HB1 PHE 37 190.202 8.169 -11.823 269 HD1 PHE 37 HD1 PHE 37 192.530 5.486 -12.623 270 HD2 PHE 37 HD2 PHE 37 190.125 7.234 -9.578 271 HE1 PHE 37 HE1 PHE 37 193.762 4.206 -10.921 272 HE2 PHE 37 HE2 PHE 37 191.353 5.959 -7.871 273 HZ PHE 37 HZ PHE 37 193.175 4.443 -8.541 274 H HIS 38 HN HIS 38 190.310 6.241 -15.058 275 HA HIS 38 HA HIS 38 189.920 3.380 -15.256 276 HB2 HIS 38 HB2 HIS 38 189.568 4.803 -17.226 277 HB3 HIS 38 HB1 HIS 38 191.249 5.321 -17.160 278 HD1 HIS 38 HD1 HIS 38 192.955 3.851 -18.282 279 HD2 HIS 38 HD2 HIS 38 189.224 2.044 -17.981 280 HE1 HIS 38 HE1 HIS 38 193.111 1.752 -19.660 281 HE2 HIS 38 HE2 HIS 38 190.842 0.674 -19.464 282 H THR 39 HN THR 39 191.412 1.841 -14.928 283 HA THR 39 HA THR 39 194.017 2.666 -13.919 284 HB THR 39 HB THR 39 194.287 0.312 -13.246 285 HG1 THR 39 HG1 THR 39 191.630 -0.096 -14.179 286 HG21 THR 39 HG21 THR 39 192.500 0.244 -11.566 287 HG22 THR 39 HG22 THR 39 191.624 1.495 -12.448 288 HG23 THR 39 HG23 THR 39 193.184 1.862 -11.711 289 H THR 40 HN THR 40 195.980 1.613 -14.634 290 HA THR 40 HA THR 40 195.873 0.470 -17.332 291 HB THR 40 HB THR 40 197.771 1.861 -18.061 292 HG1 THR 40 HG1 THR 40 197.310 3.370 -15.687 293 HG21 THR 40 HG21 THR 40 195.500 2.570 -18.620 294 HG22 THR 40 HG22 THR 40 196.542 3.967 -18.346 295 HG23 THR 40 HG23 THR 40 195.396 3.464 -17.103 296 H1 ALA 1 HT1 ALA 1 200.380 -2.956 2.163 297 H2 ALA 1 HT2 ALA 1 199.187 -3.628 3.154 298 H3 ALA 1 HT3 ALA 1 198.945 -2.108 2.453 299 HA ALA 1 HA ALA 1 198.915 -3.073 0.258 300 HB1 ALA 1 HB1 ALA 1 199.190 -5.705 1.705 301 HB2 ALA 1 HB2 ALA 1 200.438 -4.930 0.728 302 HB3 ALA 1 HB3 ALA 1 198.947 -5.491 -0.029 303 HA PRO 2 HA PRO 2 194.538 -3.089 0.728 304 HB2 PRO 2 HB2 PRO 2 194.476 -5.032 -1.526 305 HB3 PRO 2 HB1 PRO 2 193.664 -3.469 -1.363 306 HG2 PRO 2 HG2 PRO 2 195.773 -3.727 -2.954 307 HG3 PRO 2 HG1 PRO 2 195.528 -2.262 -1.982 308 HD2 PRO 2 HD2 PRO 2 197.418 -4.522 -1.541 309 HD3 PRO 2 HD1 PRO 2 197.634 -2.788 -1.229 310 H VAL 3 HN VAL 3 192.807 -4.380 1.452 311 HA VAL 3 HA VAL 3 193.339 -7.222 1.894 312 HB VAL 3 HB VAL 3 192.592 -7.072 4.243 313 HG11 VAL 3 HG11 VAL 3 194.668 -6.128 5.146 314 HG12 VAL 3 HG12 VAL 3 195.005 -5.388 3.582 315 HG13 VAL 3 HG13 VAL 3 194.969 -7.144 3.737 316 HG21 VAL 3 HG21 VAL 3 192.647 -4.826 5.336 317 HG22 VAL 3 HG22 VAL 3 191.304 -5.057 4.216 318 HG23 VAL 3 HG23 VAL 3 192.707 -4.105 3.727 319 HA PRO 4 HA PRO 4 189.130 -7.336 0.361 320 HB2 PRO 4 HB2 PRO 4 189.204 -10.059 1.545 321 HB3 PRO 4 HB1 PRO 4 188.804 -9.558 -0.103 322 HG2 PRO 4 HG2 PRO 4 191.122 -10.743 0.420 323 HG3 PRO 4 HG1 PRO 4 191.008 -9.425 -0.763 324 HD2 PRO 4 HD2 PRO 4 192.061 -9.369 2.027 325 HD3 PRO 4 HD1 PRO 4 192.640 -8.517 0.580 326 H VAL 5 HN VAL 5 187.092 -7.154 1.229 327 HA VAL 5 HA VAL 5 186.969 -6.897 4.129 328 HB VAL 5 HB VAL 5 184.870 -6.210 2.064 329 HG11 VAL 5 HG11 VAL 5 185.101 -5.440 4.972 330 HG12 VAL 5 HG12 VAL 5 183.948 -6.589 4.293 331 HG13 VAL 5 HG13 VAL 5 183.859 -4.884 3.850 332 HG21 VAL 5 HG21 VAL 5 185.588 -3.892 2.369 333 HG22 VAL 5 HG22 VAL 5 186.898 -4.893 1.743 334 HG23 VAL 5 HG23 VAL 5 186.878 -4.431 3.445 335 H THR 6 HN THR 6 185.699 -8.107 5.459 336 HA THR 6 HA THR 6 184.460 -10.488 4.259 337 HB THR 6 HB THR 6 184.620 -11.510 6.493 338 HG1 THR 6 HG1 THR 6 185.248 -10.374 8.196 339 HG21 THR 6 HG21 THR 6 187.061 -11.739 6.578 340 HG22 THR 6 HG22 THR 6 187.228 -10.341 5.515 341 HG23 THR 6 HG23 THR 6 186.465 -11.816 4.920 342 H LYS 7 HN LYS 7 183.950 -8.270 7.006 343 HA LYS 7 HA LYS 7 181.049 -8.655 6.659 344 HB2 LYS 7 HB2 LYS 7 181.876 -9.468 8.817 345 HB3 LYS 7 HB1 LYS 7 182.591 -7.897 9.148 346 HG2 LYS 7 HG2 LYS 7 180.411 -6.874 9.244 347 HG3 LYS 7 HG1 LYS 7 179.645 -8.394 8.777 348 HD2 LYS 7 HD2 LYS 7 180.464 -9.441 10.829 349 HD3 LYS 7 HD1 LYS 7 181.246 -7.928 11.293 350 HE2 LYS 7 HE2 LYS 7 178.283 -8.280 10.851 351 HE3 LYS 7 HE1 LYS 7 179.076 -8.294 12.426 352 HZ1 LYS 7 HZ1 LYS 7 179.770 -6.035 12.098 353 HZ2 LYS 7 HZ2 LYS 7 178.099 -6.126 11.851 354 HZ3 LYS 7 HZ3 LYS 7 179.145 -6.012 10.526 355 H LEU 8 HN LEU 8 179.857 -6.939 6.114 356 HA LEU 8 HA LEU 8 180.957 -4.252 6.566 357 HB2 LEU 8 HB2 LEU 8 181.230 -5.189 4.170 358 HB3 LEU 8 HB1 LEU 8 179.500 -4.943 4.034 359 HG LEU 8 HG LEU 8 180.656 -3.067 3.057 360 HD11 LEU 8 HD11 LEU 8 178.559 -2.665 4.327 361 HD12 LEU 8 HD12 LEU 8 179.623 -1.262 4.237 362 HD13 LEU 8 HD13 LEU 8 179.542 -2.211 5.720 363 HD21 LEU 8 HD21 LEU 8 182.128 -1.630 4.376 364 HD22 LEU 8 HD22 LEU 8 182.765 -3.270 4.260 365 HD23 LEU 8 HD23 LEU 8 181.981 -2.733 5.745 366 H VAL 9 HN VAL 9 179.581 -3.380 7.978 367 HA VAL 9 HA VAL 9 176.700 -3.564 7.390 368 HB VAL 9 HB VAL 9 176.254 -3.473 9.820 369 HG11 VAL 9 HG11 VAL 9 176.871 -5.800 10.311 370 HG12 VAL 9 HG12 VAL 9 177.967 -5.791 8.930 371 HG13 VAL 9 HG13 VAL 9 176.230 -5.615 8.678 372 HG21 VAL 9 HG21 VAL 9 178.331 -2.424 10.545 373 HG22 VAL 9 HG22 VAL 9 179.234 -3.865 10.080 374 HG23 VAL 9 HG23 VAL 9 178.069 -3.944 11.401 375 H CYS 10 HN CYS 10 175.501 -1.712 7.631 376 HA CYS 10 HA CYS 10 177.031 0.740 8.202 377 HB2 CYS 10 HB2 CYS 10 176.287 0.589 5.870 378 HB3 CYS 10 HB1 CYS 10 174.623 0.377 6.406 379 HG CYS 10 HG CYS 10 176.518 3.202 6.783 380 H ASP 11 HN ASP 11 175.893 2.492 9.228 381 HA ASP 11 HA ASP 11 173.635 1.579 10.890 382 HB2 ASP 11 HB2 ASP 11 175.858 3.488 11.650 383 HB3 ASP 11 HB1 ASP 11 174.480 3.076 12.666 384 H GLY 12 HN GLY 12 171.846 2.526 10.159 385 HA2 GLY 12 HA2 GLY 12 171.817 4.946 8.678 386 HA3 GLY 12 HA1 GLY 12 170.411 4.114 9.324 387 H ASP 13 HN ASP 13 171.732 4.297 12.070 388 HA ASP 13 HA ASP 13 170.332 6.494 13.035 389 HB2 ASP 13 HB2 ASP 13 172.756 5.143 14.241 390 HB3 ASP 13 HB1 ASP 13 171.656 6.215 15.104 391 H THR 14 HN THR 14 173.887 6.245 12.791 392 HA THR 14 HA THR 14 174.019 9.173 12.715 393 HB THR 14 HB THR 14 176.431 8.897 13.163 394 HG1 THR 14 HG1 THR 14 175.840 6.125 13.458 395 HG21 THR 14 HG21 THR 14 176.222 8.070 15.465 396 HG22 THR 14 HG22 THR 14 174.643 7.389 15.076 397 HG23 THR 14 HG23 THR 14 174.884 9.136 15.040 398 H TYR 15 HN TYR 15 173.568 6.977 10.470 399 HA TYR 15 HA TYR 15 174.001 6.796 8.247 400 HB2 TYR 15 HB2 TYR 15 175.159 9.575 8.542 401 HB3 TYR 15 HB1 TYR 15 174.624 8.818 7.045 402 HD1 TYR 15 HD1 TYR 15 172.099 8.003 7.081 403 HD2 TYR 15 HD2 TYR 15 173.711 11.016 9.616 404 HE1 TYR 15 HE1 TYR 15 169.841 8.914 7.425 405 HE2 TYR 15 HE2 TYR 15 171.457 11.934 9.967 406 HH TYR 15 HH TYR 15 169.276 11.948 8.832 407 H LYS 16 HN LYS 16 176.113 6.135 10.310 408 HA LYS 16 HA LYS 16 178.549 6.484 8.731 409 HB2 LYS 16 HB2 LYS 16 178.138 5.375 11.511 410 HB3 LYS 16 HB1 LYS 16 179.700 5.540 10.720 411 HG2 LYS 16 HG2 LYS 16 179.148 8.019 10.518 412 HG3 LYS 16 HG1 LYS 16 177.850 7.701 11.670 413 HD2 LYS 16 HD2 LYS 16 180.695 6.902 12.217 414 HD3 LYS 16 HD1 LYS 16 180.090 8.514 12.601 415 HE2 LYS 16 HE2 LYS 16 179.967 7.095 14.557 416 HE3 LYS 16 HE1 LYS 16 178.343 7.503 14.006 417 HZ1 LYS 16 HZ1 LYS 16 179.034 5.051 14.624 418 HZ2 LYS 16 HZ2 LYS 16 179.523 5.024 13.004 419 HZ3 LYS 16 HZ3 LYS 16 177.916 5.377 13.398 420 H CYS 17 HN CYS 17 179.675 4.819 7.822 421 HA CYS 17 HA CYS 17 178.338 2.194 7.839 422 HB2 CYS 17 HB2 CYS 17 178.316 3.291 5.645 423 HB3 CYS 17 HB1 CYS 17 180.069 3.440 5.692 424 HG CYS 17 HG CYS 17 180.183 0.473 5.953 425 H THR 18 HN THR 18 179.373 0.777 9.071 426 HA THR 18 HA THR 18 182.239 1.037 9.522 427 HB THR 18 HB THR 18 180.291 -0.932 10.738 428 HG1 THR 18 HG1 THR 18 179.972 1.387 11.214 429 HG21 THR 18 HG21 THR 18 182.597 -1.708 10.848 430 HG22 THR 18 HG22 THR 18 182.041 -1.219 12.449 431 HG23 THR 18 HG23 THR 18 183.104 -0.160 11.522 432 H ALA 19 HN ALA 19 183.702 -0.721 9.239 433 HA ALA 19 HA ALA 19 182.818 -2.948 7.575 434 HB1 ALA 19 HB1 ALA 19 183.451 -1.160 6.000 435 HB2 ALA 19 HB2 ALA 19 184.500 -2.572 5.877 436 HB3 ALA 19 HB3 ALA 19 185.063 -1.126 6.715 437 H TYR 20 HN TYR 20 184.222 -4.736 7.594 438 HA TYR 20 HA TYR 20 186.255 -4.637 9.722 439 HB2 TYR 20 HB2 TYR 20 184.547 -6.938 8.758 440 HB3 TYR 20 HB1 TYR 20 185.868 -7.109 9.909 441 HD1 TYR 20 HD1 TYR 20 185.490 -6.781 12.193 442 HD2 TYR 20 HD2 TYR 20 182.624 -5.362 9.387 443 HE1 TYR 20 HE1 TYR 20 183.954 -6.250 14.039 444 HE2 TYR 20 HE2 TYR 20 181.082 -4.825 11.225 445 HH TYR 20 HH TYR 20 182.046 -4.766 14.477 446 H LEU 21 HN LEU 21 188.277 -4.714 9.037 447 HA LEU 21 HA LEU 21 188.877 -5.685 6.361 448 HB2 LEU 21 HB2 LEU 21 190.667 -4.404 8.428 449 HB3 LEU 21 HB1 LEU 21 191.121 -4.771 6.774 450 HG LEU 21 HG LEU 21 189.010 -2.787 7.622 451 HD11 LEU 21 HD11 LEU 21 190.572 -1.118 6.747 452 HD12 LEU 21 HD12 LEU 21 191.758 -2.389 6.450 453 HD13 LEU 21 HD13 LEU 21 191.263 -2.013 8.100 454 HD21 LEU 21 HD21 LEU 21 190.051 -3.490 4.881 455 HD22 LEU 21 HD22 LEU 21 188.929 -2.182 5.254 456 HD23 LEU 21 HD23 LEU 21 188.444 -3.858 5.508 457 H ASP 22 HN ASP 22 190.724 -7.116 5.997 458 HA ASP 22 HA ASP 22 190.905 -9.169 8.099 459 HB2 ASP 22 HB2 ASP 22 189.861 -9.889 5.962 460 HB3 ASP 22 HB1 ASP 22 191.353 -9.478 5.120 461 H TYR 23 HN TYR 23 192.545 -6.736 7.881 462 HA TYR 23 HA TYR 23 195.070 -7.177 6.805 463 HB2 TYR 23 HB2 TYR 23 194.299 -5.001 7.671 464 HB3 TYR 23 HB1 TYR 23 194.374 -5.633 9.313 465 HD1 TYR 23 HD1 TYR 23 196.533 -6.037 10.392 466 HD2 TYR 23 HD2 TYR 23 196.306 -4.387 6.478 467 HE1 TYR 23 HE1 TYR 23 198.884 -5.335 10.558 468 HE2 TYR 23 HE2 TYR 23 198.655 -3.680 6.633 469 HH TYR 23 HH TYR 23 200.753 -4.787 9.059 470 H GLY 24 HN GLY 24 193.659 -8.311 9.802 471 HA2 GLY 24 HA2 GLY 24 195.816 -10.220 10.102 472 HA3 GLY 24 HA1 GLY 24 195.716 -9.026 11.386 473 H ASP 25 HN ASP 25 194.615 -9.656 13.108 474 HA ASP 25 HA ASP 25 193.172 -12.057 13.239 475 HB2 ASP 25 HB2 ASP 25 194.195 -10.989 15.207 476 HB3 ASP 25 HB1 ASP 25 193.034 -9.671 15.097 477 H GLY 26 HN GLY 26 192.200 -8.807 12.446 478 HA2 GLY 26 HA2 GLY 26 190.219 -8.541 11.067 479 HA3 GLY 26 HA1 GLY 26 189.456 -9.806 12.018 480 H LYS 27 HN LYS 27 191.357 -7.318 13.540 481 HA LYS 27 HA LYS 27 188.958 -6.378 14.911 482 HB2 LYS 27 HB2 LYS 27 191.881 -5.818 15.440 483 HB3 LYS 27 HB1 LYS 27 190.546 -5.245 16.431 484 HG2 LYS 27 HG2 LYS 27 189.942 -7.554 16.953 485 HG3 LYS 27 HG1 LYS 27 191.283 -8.127 15.961 486 HD2 LYS 27 HD2 LYS 27 192.863 -6.973 17.429 487 HD3 LYS 27 HD1 LYS 27 191.522 -6.388 18.417 488 HE2 LYS 27 HE2 LYS 27 192.270 -9.277 17.973 489 HE3 LYS 27 HE1 LYS 27 192.595 -8.338 19.430 490 HZ1 LYS 27 HZ1 LYS 27 190.215 -8.085 19.754 491 HZ2 LYS 27 HZ2 LYS 27 190.633 -9.722 19.687 492 HZ3 LYS 27 HZ3 LYS 27 189.901 -8.981 18.354 493 H TRP 28 HN TRP 28 191.451 -5.268 12.720 494 HA TRP 28 HA TRP 28 190.988 -2.508 12.879 495 HB2 TRP 28 HB2 TRP 28 191.904 -4.130 10.493 496 HB3 TRP 28 HB1 TRP 28 192.064 -2.385 10.667 497 HD1 TRP 28 HD1 TRP 28 193.565 -5.671 11.911 498 HE1 TRP 28 HE1 TRP 28 195.800 -5.167 13.080 499 HE3 TRP 28 HE3 TRP 28 193.326 -0.564 11.956 500 HZ2 TRP 28 HZ2 TRP 28 197.270 -2.904 13.912 501 HZ3 TRP 28 HZ3 TRP 28 195.188 0.695 12.958 502 HH2 TRP 28 HH2 TRP 28 197.117 -0.453 13.916 503 H VAL 29 HN VAL 29 189.230 -1.381 12.403 504 HA VAL 29 HA VAL 29 187.485 -2.336 10.232 505 HB VAL 29 HB VAL 29 185.520 -1.549 11.491 506 HG11 VAL 29 HG11 VAL 29 186.128 -3.899 11.596 507 HG12 VAL 29 HG12 VAL 29 185.455 -3.370 13.137 508 HG13 VAL 29 HG13 VAL 29 187.198 -3.581 12.961 509 HG21 VAL 29 HG21 VAL 29 185.724 -1.039 13.884 510 HG22 VAL 29 HG22 VAL 29 186.606 0.121 12.891 511 HG23 VAL 29 HG23 VAL 29 187.480 -1.146 13.752 512 H ALA 30 HN ALA 30 186.589 -0.789 8.916 513 HA ALA 30 HA ALA 30 187.679 1.921 9.236 514 HB1 ALA 30 HB1 ALA 30 188.285 0.740 7.170 515 HB2 ALA 30 HB2 ALA 30 187.332 2.189 6.846 516 HB3 ALA 30 HB3 ALA 30 186.575 0.598 6.760 517 H GLN 31 HN GLN 31 186.338 3.748 8.779 518 HA GLN 31 HA GLN 31 183.464 3.318 8.657 519 HB2 GLN 31 HB2 GLN 31 184.819 4.729 10.959 520 HB3 GLN 31 HB1 GLN 31 183.103 4.870 10.606 521 HG2 GLN 31 HG2 GLN 31 182.934 2.390 10.842 522 HG3 GLN 31 HG1 GLN 31 184.606 2.392 11.402 523 HE21 GLN 31 HE21 GLN 31 181.330 3.279 12.140 524 HE22 GLN 31 HE22 GLN 31 181.577 3.593 13.820 525 H TRP 32 HN TRP 32 182.429 4.884 7.561 526 HA TRP 32 HA TRP 32 183.657 7.504 7.236 527 HB2 TRP 32 HB2 TRP 32 183.472 7.415 4.773 528 HB3 TRP 32 HB1 TRP 32 184.621 6.234 5.394 529 HD1 TRP 32 HD1 TRP 32 181.327 6.512 3.530 530 HE1 TRP 32 HE1 TRP 32 180.643 4.181 2.679 531 HE3 TRP 32 HE3 TRP 32 184.817 3.694 5.985 532 HZ2 TRP 32 HZ2 TRP 32 181.473 1.503 3.004 533 HZ3 TRP 32 HZ3 TRP 32 184.803 1.255 5.661 534 HH2 TRP 32 HH2 TRP 32 183.164 0.183 4.202 535 H ASP 33 HN ASP 33 182.182 9.095 7.103 536 HA ASP 33 HA ASP 33 179.471 8.573 7.633 537 HB2 ASP 33 HB2 ASP 33 180.756 11.105 6.585 538 HB3 ASP 33 HB1 ASP 33 179.138 10.993 7.271 539 H THR 34 HN THR 34 177.615 8.844 6.360 540 HA THR 34 HA THR 34 177.938 9.167 3.483 541 HB THR 34 HB THR 34 176.667 7.141 2.948 542 HG1 THR 34 HG1 THR 34 175.736 6.015 4.481 543 HG21 THR 34 HG21 THR 34 179.121 7.032 2.967 544 HG22 THR 34 HG22 THR 34 178.401 5.490 3.432 545 HG23 THR 34 HG23 THR 34 179.084 6.554 4.664 546 H ALA 35 HN ALA 35 175.560 8.742 2.498 547 HA ALA 35 HA ALA 35 173.696 10.277 4.191 548 HB1 ALA 35 HB1 ALA 35 172.819 11.310 2.160 549 HB2 ALA 35 HB2 ALA 35 173.987 10.411 1.191 550 HB3 ALA 35 HB3 ALA 35 174.545 11.627 2.340 551 H VAL 36 HN VAL 36 172.048 9.056 4.816 552 HA VAL 36 HA VAL 36 171.067 6.963 2.987 553 HB VAL 36 HB VAL 36 170.716 7.067 5.986 554 HG11 VAL 36 HG11 VAL 36 170.170 4.880 3.983 555 HG12 VAL 36 HG12 VAL 36 168.961 5.836 4.838 556 HG13 VAL 36 HG13 VAL 36 170.008 4.733 5.732 557 HG21 VAL 36 HG21 VAL 36 173.065 6.770 5.441 558 HG22 VAL 36 HG22 VAL 36 172.661 5.455 4.336 559 HG23 VAL 36 HG23 VAL 36 172.387 5.267 6.068 560 H PHE 37 HN PHE 37 168.913 6.846 2.508 561 HA PHE 37 HA PHE 37 166.994 8.522 3.878 562 HB2 PHE 37 HB2 PHE 37 166.278 9.698 1.828 563 HB3 PHE 37 HB1 PHE 37 167.927 10.111 2.285 564 HD1 PHE 37 HD1 PHE 37 165.808 8.467 -0.178 565 HD2 PHE 37 HD2 PHE 37 169.815 9.343 0.957 566 HE1 PHE 37 HE1 PHE 37 166.578 7.844 -2.430 567 HE2 PHE 37 HE2 PHE 37 170.592 8.724 -1.292 568 HZ PHE 37 HZ PHE 37 168.973 7.973 -2.990 569 H HIS 38 HN HIS 38 164.773 8.190 3.029 570 HA HIS 38 HA HIS 38 164.396 5.387 2.411 571 HB2 HIS 38 HB2 HIS 38 163.008 6.460 4.131 572 HB3 HIS 38 HB1 HIS 38 162.372 7.578 2.929 573 HD1 HIS 38 HD1 HIS 38 160.412 6.800 1.553 574 HD2 HIS 38 HD2 HIS 38 162.133 3.738 3.773 575 HE1 HIS 38 HE1 HIS 38 158.850 4.843 1.323 576 HE2 HIS 38 HE2 HIS 38 159.910 3.000 2.675 577 H THR 39 HN THR 39 163.803 4.547 0.503 578 HA THR 39 HA THR 39 163.618 6.349 -1.779 579 HB THR 39 HB THR 39 163.776 4.314 -3.156 580 HG1 THR 39 HG1 THR 39 164.107 2.881 -0.721 581 HG21 THR 39 HG21 THR 39 166.059 3.669 -2.528 582 HG22 THR 39 HG22 THR 39 165.846 4.446 -0.959 583 HG23 THR 39 HG23 THR 39 165.835 5.416 -2.432 584 H THR 40 HN THR 40 161.957 6.080 -3.404 585 HA THR 40 HA THR 40 159.476 4.832 -2.459 586 HB THR 40 HB THR 40 158.157 6.795 -3.148 587 HG1 THR 40 HG1 THR 40 160.657 8.147 -3.352 588 HG21 THR 40 HG21 THR 40 158.790 6.561 -0.799 589 HG22 THR 40 HG22 THR 40 158.743 8.260 -1.269 590 HG23 THR 40 HG23 THR 40 160.292 7.432 -1.110 591 H1 ALA 1 HT1 ALA 1 174.149 4.457 -16.484 592 H2 ALA 1 HT2 ALA 1 175.476 3.440 -16.228 593 H3 ALA 1 HT3 ALA 1 175.168 4.714 -15.158 594 HA ALA 1 HA ALA 1 173.121 3.689 -14.449 595 HB1 ALA 1 HB1 ALA 1 173.921 1.442 -16.294 596 HB2 ALA 1 HB2 ALA 1 172.597 2.575 -16.563 597 HB3 ALA 1 HB3 ALA 1 172.532 1.451 -15.206 598 HA PRO 2 HA PRO 2 175.521 2.044 -11.144 599 HB2 PRO 2 HB2 PRO 2 173.305 0.102 -10.732 600 HB3 PRO 2 HB1 PRO 2 174.026 1.249 -9.593 601 HG2 PRO 2 HG2 PRO 2 171.632 1.718 -10.639 602 HG3 PRO 2 HG1 PRO 2 172.793 3.034 -10.374 603 HD2 PRO 2 HD2 PRO 2 172.023 1.684 -12.915 604 HD3 PRO 2 HD1 PRO 2 172.431 3.386 -12.615 605 H VAL 3 HN VAL 3 176.774 0.239 -10.552 606 HA VAL 3 HA VAL 3 176.544 -2.161 -12.205 607 HB VAL 3 HB VAL 3 178.973 -2.175 -12.654 608 HG11 VAL 3 HG11 VAL 3 178.950 -0.468 -14.415 609 HG12 VAL 3 HG12 VAL 3 177.517 0.258 -13.686 610 HG13 VAL 3 HG13 VAL 3 177.437 -1.371 -14.359 611 HG21 VAL 3 HG21 VAL 3 180.208 -0.016 -12.407 612 HG22 VAL 3 HG22 VAL 3 179.802 -0.799 -10.880 613 HG23 VAL 3 HG23 VAL 3 178.860 0.583 -11.440 614 HA PRO 4 HA PRO 4 177.089 -3.943 -8.131 615 HB2 PRO 4 HB2 PRO 4 177.738 -6.365 -9.722 616 HB3 PRO 4 HB1 PRO 4 176.534 -6.145 -8.445 617 HG2 PRO 4 HG2 PRO 4 175.784 -6.336 -10.987 618 HG3 PRO 4 HG1 PRO 4 174.970 -5.225 -9.867 619 HD2 PRO 4 HD2 PRO 4 176.957 -4.621 -12.005 620 HD3 PRO 4 HD1 PRO 4 175.533 -3.696 -11.489 621 H VAL 5 HN VAL 5 178.805 -4.497 -6.830 622 HA VAL 5 HA VAL 5 181.449 -4.145 -8.000 623 HB VAL 5 HB VAL 5 180.675 -4.418 -5.092 624 HG11 VAL 5 HG11 VAL 5 183.234 -3.458 -6.368 625 HG12 VAL 5 HG12 VAL 5 183.007 -4.992 -5.530 626 HG13 VAL 5 HG13 VAL 5 182.884 -3.475 -4.640 627 HG21 VAL 5 HG21 VAL 5 180.924 -1.987 -4.983 628 HG22 VAL 5 HG22 VAL 5 179.645 -2.452 -6.104 629 HG23 VAL 5 HG23 VAL 5 181.215 -1.938 -6.722 630 H THR 6 HN THR 6 183.037 -5.668 -8.035 631 HA THR 6 HA THR 6 182.226 -8.404 -7.323 632 HB THR 6 HB THR 6 183.987 -9.164 -8.868 633 HG1 THR 6 HG1 THR 6 185.352 -7.783 -9.769 634 HG21 THR 6 HG21 THR 6 182.923 -8.448 -10.961 635 HG22 THR 6 HG22 THR 6 182.096 -7.153 -10.096 636 HG23 THR 6 HG23 THR 6 181.723 -8.837 -9.729 637 H LYS 7 HN LYS 7 185.173 -6.394 -7.409 638 HA LYS 7 HA LYS 7 186.133 -7.866 -5.043 639 HB2 LYS 7 HB2 LYS 7 187.551 -8.184 -7.015 640 HB3 LYS 7 HB1 LYS 7 187.726 -6.443 -7.185 641 HG2 LYS 7 HG2 LYS 7 188.937 -6.317 -5.105 642 HG3 LYS 7 HG1 LYS 7 188.672 -8.037 -4.812 643 HD2 LYS 7 HD2 LYS 7 189.968 -8.581 -6.812 644 HD3 LYS 7 HD1 LYS 7 190.223 -6.862 -7.119 645 HE2 LYS 7 HE2 LYS 7 191.133 -8.332 -4.647 646 HE3 LYS 7 HE1 LYS 7 192.159 -7.956 -6.031 647 HZ1 LYS 7 HZ1 LYS 7 191.855 -5.625 -5.628 648 HZ2 LYS 7 HZ2 LYS 7 192.382 -6.355 -4.197 649 HZ3 LYS 7 HZ3 LYS 7 190.755 -5.928 -4.378 650 H LEU 8 HN LEU 8 186.424 -6.761 -3.210 651 HA LEU 8 HA LEU 8 186.678 -3.836 -3.349 652 HB2 LEU 8 HB2 LEU 8 184.319 -4.733 -2.779 653 HB3 LEU 8 HB1 LEU 8 185.018 -5.167 -1.231 654 HG LEU 8 HG LEU 8 183.880 -3.051 -1.032 655 HD11 LEU 8 HD11 LEU 8 186.005 -3.400 0.207 656 HD12 LEU 8 HD12 LEU 8 185.629 -1.706 -0.106 657 HD13 LEU 8 HD13 LEU 8 186.846 -2.533 -1.078 658 HD21 LEU 8 HD21 LEU 8 184.563 -1.094 -2.325 659 HD22 LEU 8 HD22 LEU 8 183.954 -2.375 -3.371 660 HD23 LEU 8 HD23 LEU 8 185.690 -2.091 -3.245 661 H VAL 9 HN VAL 9 188.663 -3.472 -2.589 662 HA VAL 9 HA VAL 9 189.429 -4.764 -0.054 663 HB VAL 9 HB VAL 9 191.785 -4.713 -0.804 664 HG11 VAL 9 HG11 VAL 9 191.628 -6.604 -2.365 665 HG12 VAL 9 HG12 VAL 9 189.915 -6.257 -2.598 666 HG13 VAL 9 HG13 VAL 9 190.504 -6.765 -1.015 667 HG21 VAL 9 HG21 VAL 9 191.618 -2.919 -2.443 668 HG22 VAL 9 HG22 VAL 9 190.607 -3.935 -3.471 669 HG23 VAL 9 HG23 VAL 9 192.290 -4.375 -3.179 670 H CYS 10 HN CYS 10 190.431 -3.492 1.464 671 HA CYS 10 HA CYS 10 190.564 -0.617 0.840 672 HB2 CYS 10 HB2 CYS 10 188.829 -1.167 2.482 673 HB3 CYS 10 HB1 CYS 10 190.027 -1.962 3.495 674 HG CYS 10 HG CYS 10 189.874 1.386 2.803 675 H ASP 11 HN ASP 11 192.218 0.629 1.903 676 HA ASP 11 HA ASP 11 194.586 -0.974 2.616 677 HB2 ASP 11 HB2 ASP 11 194.500 1.672 1.149 678 HB3 ASP 11 HB1 ASP 11 195.966 0.828 1.637 679 H GLY 12 HN GLY 12 194.881 -0.816 4.742 680 HA2 GLY 12 HA2 GLY 12 193.910 1.326 6.330 681 HA3 GLY 12 HA1 GLY 12 195.008 0.062 6.863 682 H ASP 13 HN ASP 13 196.851 0.883 4.570 683 HA ASP 13 HA ASP 13 198.630 2.438 6.033 684 HB2 ASP 13 HB2 ASP 13 198.411 2.173 3.027 685 HB3 ASP 13 HB1 ASP 13 199.812 2.796 3.893 686 H THR 14 HN THR 14 196.767 3.538 3.192 687 HA THR 14 HA THR 14 197.028 6.290 4.170 688 HB THR 14 HB THR 14 196.290 6.971 1.915 689 HG1 THR 14 HG1 THR 14 196.451 4.203 1.259 690 HG21 THR 14 HG21 THR 14 198.303 6.256 0.705 691 HG22 THR 14 HG22 THR 14 198.587 5.009 1.918 692 HG23 THR 14 HG23 THR 14 198.679 6.712 2.366 693 H TYR 15 HN TYR 15 194.963 3.966 4.803 694 HA TYR 15 HA TYR 15 192.784 3.838 5.432 695 HB2 TYR 15 HB2 TYR 15 192.886 6.860 5.355 696 HB3 TYR 15 HB1 TYR 15 191.711 5.875 6.220 697 HD1 TYR 15 HD1 TYR 15 192.782 4.169 7.946 698 HD2 TYR 15 HD2 TYR 15 194.681 7.704 6.536 699 HE1 TYR 15 HE1 TYR 15 194.231 4.176 9.933 700 HE2 TYR 15 HE2 TYR 15 196.137 7.721 8.517 701 HH TYR 15 HH TYR 15 196.131 6.845 10.813 702 H LYS 16 HN LYS 16 193.555 4.141 2.522 703 HA LYS 16 HA LYS 16 191.103 5.295 1.423 704 HB2 LYS 16 HB2 LYS 16 193.591 4.270 0.051 705 HB3 LYS 16 HB1 LYS 16 192.207 4.969 -0.776 706 HG2 LYS 16 HG2 LYS 16 192.610 7.040 0.651 707 HG3 LYS 16 HG1 LYS 16 194.171 6.320 1.042 708 HD2 LYS 16 HD2 LYS 16 193.255 6.687 -1.796 709 HD3 LYS 16 HD1 LYS 16 194.082 7.970 -0.911 710 HE2 LYS 16 HE2 LYS 16 195.673 6.721 -2.239 711 HE3 LYS 16 HE1 LYS 16 195.979 6.453 -0.524 712 HZ1 LYS 16 HZ1 LYS 16 195.884 4.483 -2.250 713 HZ2 LYS 16 HZ2 LYS 16 194.232 4.552 -1.893 714 HZ3 LYS 16 HZ3 LYS 16 195.356 4.292 -0.655 715 H CYS 17 HN CYS 17 189.571 4.132 0.347 716 HA CYS 17 HA CYS 17 189.844 1.202 0.477 717 HB2 CYS 17 HB2 CYS 17 188.066 2.085 1.919 718 HB3 CYS 17 HB1 CYS 17 187.332 2.888 0.535 719 HG CYS 17 HG CYS 17 187.116 0.203 -0.742 720 H THR 18 HN THR 18 190.271 0.351 -1.446 721 HA THR 18 HA THR 18 189.401 1.701 -3.877 722 HB THR 18 HB THR 18 191.097 -0.789 -3.581 723 HG1 THR 18 HG1 THR 18 191.968 1.261 -2.716 724 HG21 THR 18 HG21 THR 18 190.043 -0.628 -5.772 725 HG22 THR 18 HG22 THR 18 191.770 -0.297 -5.900 726 HG23 THR 18 HG23 THR 18 190.612 1.033 -5.943 727 H ALA 19 HN ALA 19 188.254 0.613 -5.553 728 HA ALA 19 HA ALA 19 186.895 -1.871 -4.857 729 HB1 ALA 19 HB1 ALA 19 185.457 -0.069 -3.986 730 HB2 ALA 19 HB2 ALA 19 184.685 -0.984 -5.281 731 HB3 ALA 19 HB3 ALA 19 185.359 0.612 -5.610 732 H TYR 20 HN TYR 20 186.036 -2.992 -6.638 733 HA TYR 20 HA TYR 20 187.001 -2.014 -9.243 734 HB2 TYR 20 HB2 TYR 20 186.621 -4.839 -8.236 735 HB3 TYR 20 HB1 TYR 20 187.013 -4.435 -9.904 736 HD1 TYR 20 HD1 TYR 20 189.241 -4.148 -10.555 737 HD2 TYR 20 HD2 TYR 20 188.259 -4.075 -6.417 738 HE1 TYR 20 HE1 TYR 20 191.634 -4.135 -9.993 739 HE2 TYR 20 HE2 TYR 20 190.649 -4.059 -5.843 740 HH TYR 20 HH TYR 20 193.085 -3.459 -8.128 741 H LEU 21 HN LEU 21 185.468 -1.358 -10.579 742 HA LEU 21 HA LEU 21 182.710 -2.179 -10.154 743 HB2 LEU 21 HB2 LEU 21 183.887 -0.204 -12.111 744 HB3 LEU 21 HB1 LEU 21 182.176 -0.464 -11.831 745 HG LEU 21 HG LEU 21 184.147 0.619 -9.816 746 HD11 LEU 21 HD11 LEU 21 182.887 2.704 -10.067 747 HD12 LEU 21 HD12 LEU 21 181.918 1.961 -11.340 748 HD13 LEU 21 HD13 LEU 21 183.646 2.213 -11.581 749 HD21 LEU 21 HD21 LEU 21 181.165 0.211 -9.618 750 HD22 LEU 21 HD22 LEU 21 182.177 1.017 -8.421 751 HD23 LEU 21 HD23 LEU 21 182.399 -0.702 -8.750 752 H ASP 22 HN ASP 22 181.361 -2.824 -11.985 753 HA ASP 22 HA ASP 22 182.856 -4.536 -13.855 754 HB2 ASP 22 HB2 ASP 22 181.353 -5.715 -12.267 755 HB3 ASP 22 HB1 ASP 22 179.990 -4.818 -12.928 756 H TYR 23 HN TYR 23 182.243 -1.680 -14.205 757 HA TYR 23 HA TYR 23 180.091 -1.192 -15.894 758 HB2 TYR 23 HB2 TYR 23 181.493 0.576 -14.900 759 HB3 TYR 23 HB1 TYR 23 182.820 0.111 -15.957 760 HD1 TYR 23 HD1 TYR 23 182.738 0.613 -18.352 761 HD2 TYR 23 HD2 TYR 23 179.611 1.836 -15.737 762 HE1 TYR 23 HE1 TYR 23 181.909 2.161 -20.074 763 HE2 TYR 23 HE2 TYR 23 178.774 3.385 -17.452 764 HH TYR 23 HH TYR 23 179.811 3.289 -20.681 765 H GLY 24 HN GLY 24 183.221 -2.606 -16.569 766 HA2 GLY 24 HA2 GLY 24 182.252 -3.538 -19.135 767 HA3 GLY 24 HA1 GLY 24 183.588 -2.401 -19.230 768 H ASP 25 HN ASP 25 185.521 -3.305 -19.376 769 HA ASP 25 HA ASP 25 185.972 -6.061 -19.134 770 HB2 ASP 25 HB2 ASP 25 187.382 -4.578 -20.501 771 HB3 ASP 25 HB1 ASP 25 187.989 -3.806 -19.041 772 H GLY 26 HN GLY 26 186.147 -3.470 -16.813 773 HA2 GLY 26 HA2 GLY 26 185.867 -4.049 -14.471 774 HA3 GLY 26 HA1 GLY 26 186.883 -5.453 -14.756 775 H LYS 27 HN LYS 27 187.692 -2.351 -16.114 776 HA LYS 27 HA LYS 27 190.114 -2.313 -14.485 777 HB2 LYS 27 HB2 LYS 27 189.326 -0.661 -16.892 778 HB3 LYS 27 HB1 LYS 27 190.881 -0.580 -16.076 779 HG2 LYS 27 HG2 LYS 27 191.310 -2.915 -16.659 780 HG3 LYS 27 HG1 LYS 27 189.750 -2.992 -17.482 781 HD2 LYS 27 HD2 LYS 27 190.480 -1.246 -19.032 782 HD3 LYS 27 HD1 LYS 27 192.036 -1.158 -18.205 783 HE2 LYS 27 HE2 LYS 27 190.922 -3.569 -19.634 784 HE3 LYS 27 HE1 LYS 27 192.181 -2.497 -20.244 785 HZ1 LYS 27 HZ1 LYS 27 193.583 -3.145 -18.387 786 HZ2 LYS 27 HZ2 LYS 27 193.116 -4.504 -19.279 787 HZ3 LYS 27 HZ3 LYS 27 192.373 -4.170 -17.797 788 H TRP 28 HN TRP 28 187.197 -0.467 -15.070 789 HA TRP 28 HA TRP 28 187.915 1.918 -13.782 790 HB2 TRP 28 HB2 TRP 28 185.182 0.632 -13.981 791 HB3 TRP 28 HB1 TRP 28 185.494 2.315 -13.566 792 HD1 TRP 28 HD1 TRP 28 185.472 -0.085 -16.539 793 HE1 TRP 28 HE1 TRP 28 185.553 1.291 -18.712 794 HE3 TRP 28 HE3 TRP 28 186.298 4.547 -14.538 795 HZ2 TRP 28 HZ2 TRP 28 185.919 3.983 -19.478 796 HZ3 TRP 28 HZ3 TRP 28 186.502 6.469 -16.059 797 HH2 TRP 28 HH2 TRP 28 186.316 6.192 -18.478 798 H VAL 29 HN VAL 29 188.444 2.268 -11.736 799 HA VAL 29 HA VAL 29 187.197 0.606 -9.651 800 HB VAL 29 HB VAL 29 189.303 0.661 -8.376 801 HG11 VAL 29 HG11 VAL 29 188.806 -1.276 -9.757 802 HG12 VAL 29 HG12 VAL 29 190.541 -0.955 -9.748 803 HG13 VAL 29 HG13 VAL 29 189.567 -0.502 -11.148 804 HG21 VAL 29 HG21 VAL 29 191.385 1.341 -9.481 805 HG22 VAL 29 HG22 VAL 29 190.264 2.693 -9.311 806 HG23 VAL 29 HG23 VAL 29 190.458 1.898 -10.874 807 H ALA 30 HN ALA 30 186.649 1.624 -7.756 808 HA ALA 30 HA ALA 30 186.796 4.558 -7.814 809 HB1 ALA 30 HB1 ALA 30 184.544 3.581 -7.755 810 HB2 ALA 30 HB2 ALA 30 184.883 4.540 -6.315 811 HB3 ALA 30 HB3 ALA 30 184.940 2.780 -6.234 812 H GLN 31 HN GLN 31 187.245 5.714 -5.862 813 HA GLN 31 HA GLN 31 188.386 4.224 -3.641 814 HB2 GLN 31 HB2 GLN 31 189.985 6.167 -5.310 815 HB3 GLN 31 HB1 GLN 31 190.472 5.630 -3.709 816 HG2 GLN 31 HG2 GLN 31 190.428 3.286 -4.573 817 HG3 GLN 31 HG1 GLN 31 190.163 3.952 -6.184 818 HE21 GLN 31 HE21 GLN 31 192.417 3.575 -3.570 819 HE22 GLN 31 HE22 GLN 31 193.828 4.052 -4.447 820 H TRP 32 HN TRP 32 188.097 5.219 -1.730 821 HA TRP 32 HA TRP 32 187.601 8.085 -1.629 822 HB2 TRP 32 HB2 TRP 32 185.504 7.797 -0.355 823 HB3 TRP 32 HB1 TRP 32 185.372 7.174 -1.996 824 HD1 TRP 32 HD1 TRP 32 185.264 6.082 1.636 825 HE1 TRP 32 HE1 TRP 32 184.515 3.622 1.753 826 HE3 TRP 32 HE3 TRP 32 185.467 4.932 -3.342 827 HZ2 TRP 32 HZ2 TRP 32 184.069 1.478 -0.029 828 HZ3 TRP 32 HZ3 TRP 32 184.864 2.655 -4.052 829 HH2 TRP 32 HH2 TRP 32 184.180 0.965 -2.428 830 H ASP 33 HN ASP 33 188.365 8.991 0.194 831 HA ASP 33 HA ASP 33 189.995 7.515 1.943 832 HB2 ASP 33 HB2 ASP 33 188.822 10.280 2.306 833 HB3 ASP 33 HB1 ASP 33 190.147 9.605 3.250 834 H THR 34 HN THR 34 189.753 6.991 4.137 835 HA THR 34 HA THR 34 187.114 7.252 5.344 836 HB THR 34 HB THR 34 186.952 4.870 5.895 837 HG1 THR 34 HG1 THR 34 188.575 3.561 5.521 838 HG21 THR 34 HG21 THR 34 185.838 5.697 3.868 839 HG22 THR 34 HG22 THR 34 186.370 4.026 3.677 840 HG23 THR 34 HG23 THR 34 187.286 5.335 2.929 841 H ALA 35 HN ALA 35 187.270 5.906 7.573 842 HA ALA 35 HA ALA 35 189.811 6.713 8.832 843 HB1 ALA 35 HB1 ALA 35 188.557 7.223 10.863 844 HB2 ALA 35 HB2 ALA 35 187.054 6.780 10.054 845 HB3 ALA 35 HB3 ALA 35 187.974 8.178 9.500 846 H VAL 36 HN VAL 36 190.948 4.998 9.430 847 HA VAL 36 HA VAL 36 189.505 2.590 10.330 848 HB VAL 36 HB VAL 36 192.320 2.721 9.242 849 HG11 VAL 36 HG11 VAL 36 190.513 0.382 9.841 850 HG12 VAL 36 HG12 VAL 36 191.944 0.856 10.756 851 HG13 VAL 36 HG13 VAL 36 192.108 0.282 9.097 852 HG21 VAL 36 HG21 VAL 36 190.734 3.303 7.497 853 HG22 VAL 36 HG22 VAL 36 189.769 1.875 7.871 854 HG23 VAL 36 HG23 VAL 36 191.395 1.693 7.210 855 H PHE 37 HN PHE 37 190.046 1.641 12.252 856 HA PHE 37 HA PHE 37 192.347 2.541 13.756 857 HB2 PHE 37 HB2 PHE 37 191.023 3.244 15.719 858 HB3 PHE 37 HB1 PHE 37 190.731 4.274 14.321 859 HD1 PHE 37 HD1 PHE 37 189.305 1.816 16.599 860 HD2 PHE 37 HD2 PHE 37 188.601 4.203 13.146 861 HE1 PHE 37 HE1 PHE 37 186.888 1.407 16.814 862 HE2 PHE 37 HE2 PHE 37 186.185 3.800 13.356 863 HZ PHE 37 HZ PHE 37 185.324 2.399 15.191 864 H HIS 38 HN HIS 38 192.563 1.348 15.829 865 HA HIS 38 HA HIS 38 191.818 -1.420 15.419 866 HB2 HIS 38 HB2 HIS 38 194.106 -0.858 16.114 867 HB3 HIS 38 HB1 HIS 38 193.484 -0.131 17.592 868 HD1 HIS 38 HD1 HIS 38 193.060 -1.666 19.541 869 HD2 HIS 38 HD2 HIS 38 193.828 -3.723 16.013 870 HE1 HIS 38 HE1 HIS 38 193.306 -4.079 20.209 871 HE2 HIS 38 HE2 HIS 38 193.771 -5.306 18.058 872 H THR 39 HN THR 39 190.296 -2.526 16.493 873 HA THR 39 HA THR 39 188.608 -1.057 18.360 874 HB THR 39 HB THR 39 187.054 -2.956 18.150 875 HG1 THR 39 HG1 THR 39 188.859 -4.020 16.226 876 HG21 THR 39 HG21 THR 39 186.484 -2.654 15.783 877 HG22 THR 39 HG22 THR 39 188.066 -1.929 15.496 878 HG23 THR 39 HG23 THR 39 186.903 -1.119 16.544 879 H THR 40 HN THR 40 187.897 -2.025 20.367 880 HA THR 40 HA THR 40 189.689 -4.063 21.478 881 HB THR 40 HB THR 40 189.941 -2.787 23.569 882 HG1 THR 40 HG1 THR 40 188.806 -0.603 22.131 883 HG21 THR 40 HG21 THR 40 191.692 -2.632 21.871 884 HG22 THR 40 HG22 THR 40 191.525 -1.106 22.737 885 HG23 THR 40 HG23 THR 40 190.853 -1.277 21.116 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 172.693 0.330 15.596 2 H2 ALA 1 HT2 ALA 1 171.400 -0.058 16.614 3 H3 ALA 1 HT3 ALA 1 171.106 0.397 15.012 4 HA ALA 1 HA ALA 1 172.535 -2.047 15.881 5 HB1 ALA 1 HB1 ALA 1 170.587 -3.261 15.079 6 HB2 ALA 1 HB2 ALA 1 169.794 -1.742 14.665 7 HB3 ALA 1 HB3 ALA 1 170.135 -2.128 16.352 8 HA PRO 2 HA PRO 2 174.316 -1.071 11.772 9 HB2 PRO 2 HB2 PRO 2 175.815 -3.526 12.542 10 HB3 PRO 2 HB1 PRO 2 176.421 -1.987 11.915 11 HG2 PRO 2 HG2 PRO 2 176.722 -2.602 14.478 12 HG3 PRO 2 HG1 PRO 2 176.342 -0.943 13.970 13 HD2 PRO 2 HD2 PRO 2 174.563 -2.991 15.201 14 HD3 PRO 2 HD1 PRO 2 174.586 -1.230 15.422 15 H VAL 3 HN VAL 3 173.488 -1.778 9.910 16 HA VAL 3 HA VAL 3 172.348 -4.490 9.830 17 HB VAL 3 HB VAL 3 170.873 -3.676 8.028 18 HG11 VAL 3 HG11 VAL 3 170.739 -2.060 10.571 19 HG12 VAL 3 HG12 VAL 3 170.077 -3.677 10.327 20 HG13 VAL 3 HG13 VAL 3 169.410 -2.306 9.439 21 HG21 VAL 3 HG21 VAL 3 172.163 -1.017 8.630 22 HG22 VAL 3 HG22 VAL 3 170.681 -1.214 7.694 23 HG23 VAL 3 HG23 VAL 3 172.193 -1.899 7.102 24 HA PRO 4 HA PRO 4 175.644 -5.442 6.952 25 HB2 PRO 4 HB2 PRO 4 173.823 -7.656 6.191 26 HB3 PRO 4 HB1 PRO 4 175.504 -7.718 6.739 27 HG2 PRO 4 HG2 PRO 4 173.528 -8.478 8.346 28 HG3 PRO 4 HG1 PRO 4 174.943 -7.605 8.970 29 HD2 PRO 4 HD2 PRO 4 172.187 -6.593 8.435 30 HD3 PRO 4 HD1 PRO 4 173.304 -6.192 9.756 31 H VAL 5 HN VAL 5 175.951 -5.584 4.666 32 HA VAL 5 HA VAL 5 173.788 -4.301 3.158 33 HB VAL 5 HB VAL 5 176.711 -4.584 2.438 34 HG11 VAL 5 HG11 VAL 5 174.537 -2.941 1.143 35 HG12 VAL 5 HG12 VAL 5 175.249 -4.412 0.480 36 HG13 VAL 5 HG13 VAL 5 176.239 -2.966 0.679 37 HG21 VAL 5 HG21 VAL 5 175.174 -2.225 3.521 38 HG22 VAL 5 HG22 VAL 5 176.840 -2.178 2.945 39 HG23 VAL 5 HG23 VAL 5 176.425 -3.140 4.363 40 H THR 6 HN THR 6 172.741 -5.323 1.564 41 HA THR 6 HA THR 6 173.472 -8.081 0.977 42 HB THR 6 HB THR 6 171.302 -8.209 -0.179 43 HG1 THR 6 HG1 THR 6 170.669 -6.307 -0.913 44 HG21 THR 6 HG21 THR 6 169.865 -7.913 1.788 45 HG22 THR 6 HG22 THR 6 171.131 -6.967 2.570 46 HG23 THR 6 HG23 THR 6 171.395 -8.675 2.219 47 H LYS 7 HN LYS 7 172.607 -5.167 -0.888 48 HA LYS 7 HA LYS 7 174.356 -6.147 -3.046 49 HB2 LYS 7 HB2 LYS 7 171.878 -6.295 -3.542 50 HB3 LYS 7 HB1 LYS 7 171.835 -4.539 -3.465 51 HG2 LYS 7 HG2 LYS 7 173.380 -4.390 -5.323 52 HG3 LYS 7 HG1 LYS 7 173.522 -6.148 -5.372 53 HD2 LYS 7 HD2 LYS 7 171.075 -6.271 -5.815 54 HD3 LYS 7 HD1 LYS 7 171.051 -4.509 -5.920 55 HE2 LYS 7 HE2 LYS 7 172.641 -4.600 -7.777 56 HE3 LYS 7 HE1 LYS 7 172.669 -6.360 -7.668 57 HZ1 LYS 7 HZ1 LYS 7 170.293 -4.701 -8.320 58 HZ2 LYS 7 HZ2 LYS 7 170.311 -6.389 -8.207 59 HZ3 LYS 7 HZ3 LYS 7 171.195 -5.616 -9.422 60 H LEU 8 HN LEU 8 175.901 -4.771 -3.681 61 HA LEU 8 HA LEU 8 175.656 -1.947 -2.869 62 HB2 LEU 8 HB2 LEU 8 177.346 -3.453 -1.628 63 HB3 LEU 8 HB1 LEU 8 178.280 -3.388 -3.109 64 HG LEU 8 HG LEU 8 179.104 -1.762 -1.504 65 HD11 LEU 8 HD11 LEU 8 179.152 -1.249 -3.936 66 HD12 LEU 8 HD12 LEU 8 179.132 0.179 -2.902 67 HD13 LEU 8 HD13 LEU 8 177.660 -0.333 -3.727 68 HD21 LEU 8 HD21 LEU 8 177.044 -1.412 -0.249 69 HD22 LEU 8 HD22 LEU 8 176.338 -0.568 -1.628 70 HD23 LEU 8 HD23 LEU 8 177.727 0.122 -0.790 71 H VAL 9 HN VAL 9 175.332 -0.773 -4.642 72 HA VAL 9 HA VAL 9 176.680 -1.551 -7.135 73 HB VAL 9 HB VAL 9 175.078 -0.066 -8.274 74 HG11 VAL 9 HG11 VAL 9 173.792 -2.106 -6.464 75 HG12 VAL 9 HG12 VAL 9 174.554 -2.429 -8.023 76 HG13 VAL 9 HG13 VAL 9 173.087 -1.453 -7.943 77 HG21 VAL 9 HG21 VAL 9 173.164 0.843 -7.037 78 HG22 VAL 9 HG22 VAL 9 174.688 1.528 -6.474 79 HG23 VAL 9 HG23 VAL 9 173.879 0.280 -5.526 80 H CYS 10 HN CYS 10 177.341 0.304 -8.560 81 HA CYS 10 HA CYS 10 178.189 2.688 -7.105 82 HB2 CYS 10 HB2 CYS 10 180.067 1.123 -6.884 83 HB3 CYS 10 HB1 CYS 10 180.107 0.913 -8.630 84 HG CYS 10 HG CYS 10 181.914 2.896 -6.979 85 H ASP 11 HN ASP 11 177.683 4.410 -8.276 86 HA ASP 11 HA ASP 11 177.159 4.101 -11.127 87 HB2 ASP 11 HB2 ASP 11 175.468 5.226 -9.742 88 HB3 ASP 11 HB1 ASP 11 176.653 6.445 -9.282 89 H GLY 12 HN GLY 12 178.836 4.363 -12.446 90 HA2 GLY 12 HA2 GLY 12 181.148 5.896 -11.716 91 HA3 GLY 12 HA1 GLY 12 180.869 5.100 -13.256 92 H ASP 13 HN ASP 13 178.222 6.577 -13.441 93 HA ASP 13 HA ASP 13 179.021 8.638 -15.118 94 HB2 ASP 13 HB2 ASP 13 176.426 8.388 -13.581 95 HB3 ASP 13 HB1 ASP 13 176.692 9.448 -14.962 96 H THR 14 HN THR 14 177.450 9.134 -11.952 97 HA THR 14 HA THR 14 178.777 11.735 -11.767 98 HB THR 14 HB THR 14 177.229 12.197 -9.909 99 HG1 THR 14 HG1 THR 14 176.491 10.453 -8.951 100 HG21 THR 14 HG21 THR 14 175.862 11.139 -12.387 101 HG22 THR 14 HG22 THR 14 176.543 12.753 -12.188 102 HG23 THR 14 HG23 THR 14 175.156 12.257 -11.219 103 H TYR 15 HN TYR 15 179.691 8.764 -11.016 104 HA TYR 15 HA TYR 15 181.177 7.851 -9.560 105 HB2 TYR 15 HB2 TYR 15 181.660 10.690 -8.638 106 HB3 TYR 15 HB1 TYR 15 182.741 9.315 -8.435 107 HD1 TYR 15 HD1 TYR 15 183.487 8.150 -10.677 108 HD2 TYR 15 HD2 TYR 15 182.011 12.131 -10.412 109 HE1 TYR 15 HE1 TYR 15 184.581 8.692 -12.812 110 HE2 TYR 15 HE2 TYR 15 183.099 12.683 -12.546 111 HH TYR 15 HH TYR 15 184.350 10.325 -14.636 112 H LYS 16 HN LYS 16 178.355 8.373 -8.771 113 HA LYS 16 HA LYS 16 178.592 8.685 -5.872 114 HB2 LYS 16 HB2 LYS 16 176.162 8.821 -5.858 115 HB3 LYS 16 HB1 LYS 16 176.827 9.951 -7.028 116 HG2 LYS 16 HG2 LYS 16 176.309 8.367 -8.831 117 HG3 LYS 16 HG1 LYS 16 175.600 7.270 -7.643 118 HD2 LYS 16 HD2 LYS 16 173.952 8.978 -7.049 119 HD3 LYS 16 HD1 LYS 16 174.666 10.081 -8.228 120 HE2 LYS 16 HE2 LYS 16 174.113 8.510 -10.023 121 HE3 LYS 16 HE1 LYS 16 173.395 7.415 -8.842 122 HZ1 LYS 16 HZ1 LYS 16 171.713 8.742 -9.951 123 HZ2 LYS 16 HZ2 LYS 16 172.459 10.169 -9.437 124 HZ3 LYS 16 HZ3 LYS 16 171.771 9.121 -8.302 125 H CYS 17 HN CYS 17 178.540 7.014 -4.513 126 HA CYS 17 HA CYS 17 178.010 4.352 -5.621 127 HB2 CYS 17 HB2 CYS 17 180.188 4.669 -4.540 128 HB3 CYS 17 HB1 CYS 17 179.387 5.160 -3.051 129 HG CYS 17 HG CYS 17 178.023 2.504 -3.080 130 H THR 18 HN THR 18 176.201 3.308 -5.138 131 HA THR 18 HA THR 18 174.597 4.266 -2.861 132 HB THR 18 HB THR 18 173.636 2.756 -5.301 133 HG1 THR 18 HG1 THR 18 173.574 4.664 -6.198 134 HG21 THR 18 HG21 THR 18 172.248 2.361 -3.334 135 HG22 THR 18 HG22 THR 18 171.396 3.378 -4.494 136 HG23 THR 18 HG23 THR 18 172.121 4.098 -3.057 137 H ALA 19 HN ALA 19 173.482 2.708 -1.571 138 HA ALA 19 HA ALA 19 174.386 -0.066 -1.818 139 HB1 ALA 19 HB1 ALA 19 174.562 1.448 0.781 140 HB2 ALA 19 HB2 ALA 19 175.934 1.132 -0.280 141 HB3 ALA 19 HB3 ALA 19 175.073 -0.211 0.473 142 H TYR 20 HN TYR 20 172.936 -1.578 -1.122 143 HA TYR 20 HA TYR 20 170.305 -0.553 -0.328 144 HB2 TYR 20 HB2 TYR 20 171.114 -3.222 -1.501 145 HB3 TYR 20 HB1 TYR 20 169.469 -2.786 -1.045 146 HD1 TYR 20 HD1 TYR 20 172.143 -2.301 -3.490 147 HD2 TYR 20 HD2 TYR 20 168.199 -1.173 -2.361 148 HE1 TYR 20 HE1 TYR 20 171.789 -1.329 -5.721 149 HE2 TYR 20 HE2 TYR 20 167.834 -0.199 -4.591 150 HH TYR 20 HH TYR 20 169.169 0.699 -6.449 151 H LEU 21 HN LEU 21 170.008 -0.525 1.799 152 HA LEU 21 HA LEU 21 171.387 -2.341 3.556 153 HB2 LEU 21 HB2 LEU 21 169.227 -0.317 4.152 154 HB3 LEU 21 HB1 LEU 21 170.192 -1.160 5.348 155 HG LEU 21 HG LEU 21 171.215 0.832 3.324 156 HD11 LEU 21 HD11 LEU 21 171.661 2.224 5.282 157 HD12 LEU 21 HD12 LEU 21 170.926 1.003 6.320 158 HD13 LEU 21 HD13 LEU 21 169.943 1.857 5.132 159 HD21 LEU 21 HD21 LEU 21 172.860 -0.913 3.756 160 HD22 LEU 21 HD22 LEU 21 172.680 -0.668 5.492 161 HD23 LEU 21 HD23 LEU 21 173.355 0.613 4.486 162 H ASP 22 HN ASP 22 170.336 -3.750 5.077 163 HA ASP 22 HA ASP 22 168.001 -5.061 3.901 164 HB2 ASP 22 HB2 ASP 22 170.005 -6.423 4.425 165 HB3 ASP 22 HB1 ASP 22 169.829 -5.999 6.124 166 H TYR 23 HN TYR 23 168.071 -2.535 5.644 167 HA TYR 23 HA TYR 23 166.638 -3.336 8.022 168 HB2 TYR 23 HB2 TYR 23 168.164 -1.427 8.117 169 HB3 TYR 23 HB1 TYR 23 167.225 -0.595 6.881 170 HD1 TYR 23 HD1 TYR 23 167.257 -1.706 10.391 171 HD2 TYR 23 HD2 TYR 23 165.176 0.528 7.428 172 HE1 TYR 23 HE1 TYR 23 165.864 -0.689 12.143 173 HE2 TYR 23 HE2 TYR 23 163.779 1.552 9.172 174 HH TYR 23 HH TYR 23 163.038 1.057 11.465 175 H GLY 24 HN GLY 24 164.476 -3.207 8.384 176 HA2 GLY 24 HA2 GLY 24 162.233 -3.090 7.909 177 HA3 GLY 24 HA1 GLY 24 162.631 -1.702 6.908 178 H ASP 25 HN ASP 25 161.150 -2.228 5.304 179 HA ASP 25 HA ASP 25 160.909 -4.754 4.096 180 HB2 ASP 25 HB2 ASP 25 160.310 -2.020 2.944 181 HB3 ASP 25 HB1 ASP 25 159.759 -3.550 2.269 182 H GLY 26 HN GLY 26 163.102 -2.090 3.544 183 HA2 GLY 26 HA2 GLY 26 165.292 -2.730 2.613 184 HA3 GLY 26 HA1 GLY 26 164.414 -3.701 1.440 185 H LYS 27 HN LYS 27 163.509 -0.458 2.462 186 HA LYS 27 HA LYS 27 163.812 0.427 -0.313 187 HB2 LYS 27 HB2 LYS 27 162.347 1.698 2.006 188 HB3 LYS 27 HB1 LYS 27 162.391 2.333 0.367 189 HG2 LYS 27 HG2 LYS 27 161.261 0.327 -0.445 190 HG3 LYS 27 HG1 LYS 27 161.221 -0.315 1.199 191 HD2 LYS 27 HD2 LYS 27 159.855 1.587 1.909 192 HD3 LYS 27 HD1 LYS 27 159.900 2.234 0.268 193 HE2 LYS 27 HE2 LYS 27 157.805 1.058 0.696 194 HE3 LYS 27 HE1 LYS 27 158.747 0.248 -0.556 195 HZ1 LYS 27 HZ1 LYS 27 158.604 -0.568 2.298 196 HZ2 LYS 27 HZ2 LYS 27 159.499 -1.348 1.094 197 HZ3 LYS 27 HZ3 LYS 27 157.810 -1.331 1.013 198 H TRP 28 HN TRP 28 164.865 1.157 2.958 199 HA TRP 28 HA TRP 28 166.148 3.599 2.454 200 HB2 TRP 28 HB2 TRP 28 166.875 1.478 4.487 201 HB3 TRP 28 HB1 TRP 28 167.404 3.157 4.521 202 HD1 TRP 28 HD1 TRP 28 164.278 0.998 5.061 203 HE1 TRP 28 HE1 TRP 28 162.567 2.365 6.412 204 HE3 TRP 28 HE3 TRP 28 166.682 5.510 5.087 205 HZ2 TRP 28 HZ2 TRP 28 162.275 5.007 7.363 206 HZ3 TRP 28 HZ3 TRP 28 165.619 7.406 6.239 207 HH2 TRP 28 HH2 TRP 28 163.460 7.159 7.353 208 H VAL 29 HN VAL 29 168.072 4.131 1.584 209 HA VAL 29 HA VAL 29 170.072 2.053 1.130 210 HB VAL 29 HB VAL 29 170.376 2.633 -1.213 211 HG11 VAL 29 HG11 VAL 29 167.509 1.941 -0.582 212 HG12 VAL 29 HG12 VAL 29 168.856 0.807 -0.673 213 HG13 VAL 29 HG13 VAL 29 168.323 1.661 -2.121 214 HG21 VAL 29 HG21 VAL 29 169.666 4.952 -1.160 215 HG22 VAL 29 HG22 VAL 29 168.005 4.461 -0.830 216 HG23 VAL 29 HG23 VAL 29 168.749 4.068 -2.380 217 H ALA 30 HN ALA 30 172.156 2.784 1.136 218 HA ALA 30 HA ALA 30 172.575 5.477 2.094 219 HB1 ALA 30 HB1 ALA 30 174.893 4.791 2.407 220 HB2 ALA 30 HB2 ALA 30 174.571 3.282 1.552 221 HB3 ALA 30 HB3 ALA 30 173.788 3.603 3.098 222 H GLN 31 HN GLN 31 174.133 6.946 1.139 223 HA GLN 31 HA GLN 31 174.819 6.507 -1.653 224 HB2 GLN 31 HB2 GLN 31 172.475 7.613 -1.396 225 HB3 GLN 31 HB1 GLN 31 173.386 9.051 -0.956 226 HG2 GLN 31 HG2 GLN 31 173.522 7.541 -3.552 227 HG3 GLN 31 HG1 GLN 31 172.844 9.146 -3.283 228 HE21 GLN 31 HE21 GLN 31 175.742 7.269 -3.597 229 HE22 GLN 31 HE22 GLN 31 176.832 8.599 -3.770 230 H TRP 32 HN TRP 32 176.922 6.941 -1.694 231 HA TRP 32 HA TRP 32 177.862 9.453 -0.517 232 HB2 TRP 32 HB2 TRP 32 179.829 8.365 0.446 233 HB3 TRP 32 HB1 TRP 32 178.353 7.688 1.128 234 HD1 TRP 32 HD1 TRP 32 181.146 6.802 -1.378 235 HE1 TRP 32 HE1 TRP 32 181.273 4.239 -1.569 236 HE3 TRP 32 HE3 TRP 32 177.091 5.571 1.482 237 HZ2 TRP 32 HZ2 TRP 32 179.845 1.992 -0.631 238 HZ3 TRP 32 HZ3 TRP 32 176.542 3.191 1.786 239 HH2 TRP 32 HH2 TRP 32 177.891 1.440 0.750 240 H ASP 33 HN ASP 33 179.225 10.545 -1.800 241 HA ASP 33 HA ASP 33 179.717 9.625 -4.445 242 HB2 ASP 33 HB2 ASP 33 180.852 12.013 -2.973 243 HB3 ASP 33 HB1 ASP 33 180.975 11.738 -4.708 244 H THR 34 HN THR 34 181.832 9.458 -5.465 245 HA THR 34 HA THR 34 184.101 8.898 -3.740 246 HB THR 34 HB THR 34 184.504 6.664 -4.641 247 HG1 THR 34 HG1 THR 34 183.429 6.004 -6.333 248 HG21 THR 34 HG21 THR 34 183.223 6.857 -2.561 249 HG22 THR 34 HG22 THR 34 182.699 5.462 -3.505 250 HG23 THR 34 HG23 THR 34 181.725 6.933 -3.489 251 H ALA 35 HN ALA 35 185.912 7.892 -5.346 252 HA ALA 35 HA ALA 35 185.923 9.626 -7.731 253 HB1 ALA 35 HB1 ALA 35 188.330 9.896 -7.446 254 HB2 ALA 35 HB2 ALA 35 188.280 8.889 -5.998 255 HB3 ALA 35 HB3 ALA 35 187.460 10.451 -6.016 256 H VAL 36 HN VAL 36 185.659 8.365 -9.455 257 HA VAL 36 HA VAL 36 186.989 5.742 -9.510 258 HB VAL 36 HB VAL 36 184.747 6.720 -11.284 259 HG11 VAL 36 HG11 VAL 36 184.528 4.358 -11.901 260 HG12 VAL 36 HG12 VAL 36 185.923 3.969 -10.894 261 HG13 VAL 36 HG13 VAL 36 186.120 4.994 -12.317 262 HG21 VAL 36 HG21 VAL 36 183.296 5.251 -9.957 263 HG22 VAL 36 HG22 VAL 36 183.989 6.544 -8.979 264 HG23 VAL 36 HG23 VAL 36 184.644 4.910 -8.872 265 H PHE 37 HN PHE 37 188.363 5.190 -11.152 266 HA PHE 37 HA PHE 37 188.754 6.990 -13.395 267 HB2 PHE 37 HB2 PHE 37 191.199 7.185 -12.965 268 HB3 PHE 37 HB1 PHE 37 190.215 8.000 -11.754 269 HD1 PHE 37 HD1 PHE 37 190.216 7.297 -9.479 270 HD2 PHE 37 HD2 PHE 37 192.339 5.077 -12.426 271 HE1 PHE 37 HE1 PHE 37 191.365 6.041 -7.701 272 HE2 PHE 37 HE2 PHE 37 193.491 3.817 -10.653 273 HZ PHE 37 HZ PHE 37 193.005 4.300 -8.287 274 H HIS 38 HN HIS 38 189.888 6.055 -15.129 275 HA HIS 38 HA HIS 38 189.719 3.182 -15.213 276 HB2 HIS 38 HB2 HIS 38 189.049 4.548 -17.146 277 HB3 HIS 38 HB1 HIS 38 190.697 5.148 -17.297 278 HD1 HIS 38 HD1 HIS 38 192.347 3.710 -18.556 279 HD2 HIS 38 HD2 HIS 38 188.733 1.786 -17.849 280 HE1 HIS 38 HE1 HIS 38 192.432 1.597 -19.919 281 HE2 HIS 38 HE2 HIS 38 190.234 0.449 -19.477 282 H THR 39 HN THR 39 191.349 1.721 -15.213 283 HA THR 39 HA THR 39 194.012 2.730 -14.526 284 HB THR 39 HB THR 39 194.498 0.432 -13.789 285 HG1 THR 39 HG1 THR 39 191.765 -0.115 -14.385 286 HG21 THR 39 HG21 THR 39 192.975 0.375 -11.866 287 HG22 THR 39 HG22 THR 39 191.918 1.535 -12.671 288 HG23 THR 39 HG23 THR 39 193.545 2.013 -12.186 289 H THR 40 HN THR 40 195.468 2.879 -16.090 290 HA THR 40 HA THR 40 195.174 1.251 -18.502 291 HB THR 40 HB THR 40 196.861 2.743 -19.496 292 HG1 THR 40 HG1 THR 40 197.542 4.568 -18.251 293 HG21 THR 40 HG21 THR 40 195.512 4.791 -19.528 294 HG22 THR 40 HG22 THR 40 194.612 4.220 -18.123 295 HG23 THR 40 HG23 THR 40 194.498 3.353 -19.655 296 H1 ALA 1 HT1 ALA 1 198.936 -2.553 0.666 297 H2 ALA 1 HT2 ALA 1 200.357 -3.357 1.105 298 H3 ALA 1 HT3 ALA 1 199.155 -3.075 2.260 299 HA ALA 1 HA ALA 1 198.894 -4.819 -0.120 300 HB1 ALA 1 HB1 ALA 1 198.888 -6.673 1.454 301 HB2 ALA 1 HB2 ALA 1 199.118 -5.551 2.796 302 HB3 ALA 1 HB3 ALA 1 200.385 -5.748 1.585 303 HA PRO 2 HA PRO 2 194.628 -3.364 0.715 304 HB2 PRO 2 HB2 PRO 2 194.246 -5.095 -1.676 305 HB3 PRO 2 HB1 PRO 2 193.657 -3.456 -1.366 306 HG2 PRO 2 HG2 PRO 2 195.676 -3.861 -3.040 307 HG3 PRO 2 HG1 PRO 2 195.657 -2.464 -1.946 308 HD2 PRO 2 HD2 PRO 2 197.231 -4.986 -1.755 309 HD3 PRO 2 HD1 PRO 2 197.685 -3.330 -1.304 310 H VAL 3 HN VAL 3 193.263 -4.364 2.051 311 HA VAL 3 HA VAL 3 193.293 -7.306 2.131 312 HB VAL 3 HB VAL 3 192.507 -7.121 4.462 313 HG11 VAL 3 HG11 VAL 3 195.048 -5.603 3.881 314 HG12 VAL 3 HG12 VAL 3 194.885 -7.355 4.010 315 HG13 VAL 3 HG13 VAL 3 194.620 -6.338 5.427 316 HG21 VAL 3 HG21 VAL 3 192.857 -4.162 3.993 317 HG22 VAL 3 HG22 VAL 3 192.680 -4.902 5.584 318 HG23 VAL 3 HG23 VAL 3 191.368 -5.010 4.411 319 HA PRO 4 HA PRO 4 189.124 -7.073 0.512 320 HB2 PRO 4 HB2 PRO 4 188.944 -9.812 1.638 321 HB3 PRO 4 HB1 PRO 4 188.651 -9.251 -0.014 322 HG2 PRO 4 HG2 PRO 4 190.842 -10.634 0.577 323 HG3 PRO 4 HG1 PRO 4 190.882 -9.297 -0.589 324 HD2 PRO 4 HD2 PRO 4 191.820 -9.358 2.244 325 HD3 PRO 4 HD1 PRO 4 192.532 -8.551 0.831 326 H VAL 5 HN VAL 5 186.955 -7.149 1.311 327 HA VAL 5 HA VAL 5 186.812 -6.767 4.216 328 HB VAL 5 HB VAL 5 184.810 -5.995 2.086 329 HG11 VAL 5 HG11 VAL 5 184.913 -5.276 5.015 330 HG12 VAL 5 HG12 VAL 5 183.781 -6.406 4.270 331 HG13 VAL 5 HG13 VAL 5 183.730 -4.696 3.841 332 HG21 VAL 5 HG21 VAL 5 186.820 -4.323 3.590 333 HG22 VAL 5 HG22 VAL 5 185.566 -3.693 2.524 334 HG23 VAL 5 HG23 VAL 5 186.851 -4.706 1.869 335 H THR 6 HN THR 6 185.733 -8.135 5.497 336 HA THR 6 HA THR 6 184.462 -10.456 4.280 337 HB THR 6 HB THR 6 184.413 -11.385 6.561 338 HG1 THR 6 HG1 THR 6 184.349 -9.857 8.050 339 HG21 THR 6 HG21 THR 6 186.837 -11.582 6.888 340 HG22 THR 6 HG22 THR 6 187.094 -10.225 5.790 341 HG23 THR 6 HG23 THR 6 186.404 -11.731 5.184 342 H LYS 7 HN LYS 7 183.666 -8.094 6.833 343 HA LYS 7 HA LYS 7 180.827 -8.428 6.119 344 HB2 LYS 7 HB2 LYS 7 181.494 -9.470 8.327 345 HB3 LYS 7 HB1 LYS 7 181.850 -7.847 8.900 346 HG2 LYS 7 HG2 LYS 7 179.541 -7.194 8.580 347 HG3 LYS 7 HG1 LYS 7 179.164 -8.784 7.912 348 HD2 LYS 7 HD2 LYS 7 179.867 -9.790 10.079 349 HD3 LYS 7 HD1 LYS 7 180.056 -8.159 10.725 350 HE2 LYS 7 HE2 LYS 7 177.691 -7.714 10.287 351 HE3 LYS 7 HE1 LYS 7 177.504 -9.342 9.637 352 HZ1 LYS 7 HZ1 LYS 7 178.264 -8.667 12.428 353 HZ2 LYS 7 HZ2 LYS 7 178.097 -10.231 11.807 354 HZ3 LYS 7 HZ3 LYS 7 176.748 -9.220 11.922 355 H LEU 8 HN LEU 8 179.778 -6.603 5.614 356 HA LEU 8 HA LEU 8 181.035 -4.039 6.348 357 HB2 LEU 8 HB2 LEU 8 181.126 -4.806 3.884 358 HB3 LEU 8 HB1 LEU 8 179.412 -4.442 3.854 359 HG LEU 8 HG LEU 8 180.697 -2.592 2.946 360 HD11 LEU 8 HD11 LEU 8 178.619 -2.153 4.238 361 HD12 LEU 8 HD12 LEU 8 179.755 -0.806 4.227 362 HD13 LEU 8 HD13 LEU 8 179.620 -1.832 5.653 363 HD21 LEU 8 HD21 LEU 8 182.787 -2.979 4.138 364 HD22 LEU 8 HD22 LEU 8 182.026 -2.479 5.649 365 HD23 LEU 8 HD23 LEU 8 182.238 -1.316 4.341 366 H VAL 9 HN VAL 9 179.807 -3.102 7.846 367 HA VAL 9 HA VAL 9 176.888 -3.400 7.685 368 HB VAL 9 HB VAL 9 176.844 -2.618 10.022 369 HG11 VAL 9 HG11 VAL 9 178.702 -4.943 9.536 370 HG12 VAL 9 HG12 VAL 9 176.940 -5.005 9.555 371 HG13 VAL 9 HG13 VAL 9 177.825 -4.622 11.031 372 HG21 VAL 9 HG21 VAL 9 178.939 -2.432 11.285 373 HG22 VAL 9 HG22 VAL 9 178.845 -1.231 9.998 374 HG23 VAL 9 HG23 VAL 9 179.853 -2.664 9.796 375 H CYS 10 HN CYS 10 175.620 -1.466 8.434 376 HA CYS 10 HA CYS 10 176.879 1.097 7.827 377 HB2 CYS 10 HB2 CYS 10 175.981 0.321 5.679 378 HB3 CYS 10 HB1 CYS 10 174.397 0.098 6.413 379 HG CYS 10 HG CYS 10 175.332 2.637 4.798 380 H ASP 11 HN ASP 11 176.347 2.492 9.362 381 HA ASP 11 HA ASP 11 174.035 1.950 11.053 382 HB2 ASP 11 HB2 ASP 11 176.191 2.421 12.134 383 HB3 ASP 11 HB1 ASP 11 176.244 3.996 11.348 384 H GLY 12 HN GLY 12 172.156 2.768 10.405 385 HA2 GLY 12 HA2 GLY 12 171.982 5.047 8.671 386 HA3 GLY 12 HA1 GLY 12 170.634 4.169 9.377 387 H ASP 13 HN ASP 13 171.901 4.587 12.103 388 HA ASP 13 HA ASP 13 170.383 6.759 12.931 389 HB2 ASP 13 HB2 ASP 13 172.872 5.626 14.227 390 HB3 ASP 13 HB1 ASP 13 171.702 6.679 15.018 391 H THR 14 HN THR 14 173.952 6.729 12.857 392 HA THR 14 HA THR 14 173.911 9.637 12.536 393 HB THR 14 HB THR 14 176.314 9.553 13.058 394 HG1 THR 14 HG1 THR 14 177.223 7.683 12.632 395 HG21 THR 14 HG21 THR 14 174.598 8.016 15.014 396 HG22 THR 14 HG22 THR 14 174.712 9.773 14.890 397 HG23 THR 14 HG23 THR 14 176.115 8.831 15.396 398 H TYR 15 HN TYR 15 173.699 7.212 10.461 399 HA TYR 15 HA TYR 15 174.161 6.931 8.255 400 HB2 TYR 15 HB2 TYR 15 175.188 9.774 8.347 401 HB3 TYR 15 HB1 TYR 15 174.662 8.886 6.920 402 HD1 TYR 15 HD1 TYR 15 172.177 8.016 7.005 403 HD2 TYR 15 HD2 TYR 15 173.692 11.202 9.382 404 HE1 TYR 15 HE1 TYR 15 169.890 8.866 7.313 405 HE2 TYR 15 HE2 TYR 15 171.409 12.060 9.699 406 HH TYR 15 HH TYR 15 168.644 10.263 8.909 407 H LYS 16 HN LYS 16 176.216 6.419 10.346 408 HA LYS 16 HA LYS 16 178.700 6.863 8.867 409 HB2 LYS 16 HB2 LYS 16 179.836 6.114 10.886 410 HB3 LYS 16 HB1 LYS 16 178.681 7.381 11.273 411 HG2 LYS 16 HG2 LYS 16 177.091 5.676 12.041 412 HG3 LYS 16 HG1 LYS 16 178.287 4.426 11.692 413 HD2 LYS 16 HD2 LYS 16 179.818 5.439 13.307 414 HD3 LYS 16 HD1 LYS 16 178.629 6.696 13.651 415 HE2 LYS 16 HE2 LYS 16 177.063 4.989 14.448 416 HE3 LYS 16 HE1 LYS 16 178.258 3.737 14.108 417 HZ1 LYS 16 HZ1 LYS 16 178.253 4.343 16.444 418 HZ2 LYS 16 HZ2 LYS 16 178.585 5.955 16.057 419 HZ3 LYS 16 HZ3 LYS 16 179.731 4.756 15.732 420 H CYS 17 HN CYS 17 179.659 5.318 7.713 421 HA CYS 17 HA CYS 17 178.519 2.618 7.806 422 HB2 CYS 17 HB2 CYS 17 178.527 3.725 5.617 423 HB3 CYS 17 HB1 CYS 17 180.273 3.928 5.717 424 HG CYS 17 HG CYS 17 180.459 0.959 5.975 425 H THR 18 HN THR 18 179.604 1.005 8.708 426 HA THR 18 HA THR 18 182.479 1.373 9.238 427 HB THR 18 HB THR 18 180.542 -0.437 10.695 428 HG1 THR 18 HG1 THR 18 180.074 1.298 11.799 429 HG21 THR 18 HG21 THR 18 182.837 -1.261 10.755 430 HG22 THR 18 HG22 THR 18 182.362 -0.646 12.338 431 HG23 THR 18 HG23 THR 18 183.405 0.320 11.293 432 H ALA 19 HN ALA 19 183.878 -0.450 9.019 433 HA ALA 19 HA ALA 19 182.823 -2.717 7.494 434 HB1 ALA 19 HB1 ALA 19 185.257 -1.182 6.601 435 HB2 ALA 19 HB2 ALA 19 183.655 -1.007 5.888 436 HB3 ALA 19 HB3 ALA 19 184.500 -2.553 5.790 437 H TYR 20 HN TYR 20 183.861 -4.635 7.848 438 HA TYR 20 HA TYR 20 185.909 -4.607 9.947 439 HB2 TYR 20 HB2 TYR 20 184.104 -6.833 8.978 440 HB3 TYR 20 HB1 TYR 20 185.318 -7.008 10.241 441 HD1 TYR 20 HD1 TYR 20 182.032 -5.649 9.392 442 HD2 TYR 20 HD2 TYR 20 184.987 -5.992 12.434 443 HE1 TYR 20 HE1 TYR 20 180.384 -4.923 11.066 444 HE2 TYR 20 HE2 TYR 20 183.346 -5.267 14.117 445 HH TYR 20 HH TYR 20 181.246 -3.992 14.212 446 H LEU 21 HN LEU 21 187.916 -4.640 9.180 447 HA LEU 21 HA LEU 21 188.554 -5.795 6.621 448 HB2 LEU 21 HB2 LEU 21 190.368 -4.672 8.758 449 HB3 LEU 21 HB1 LEU 21 190.849 -5.082 7.122 450 HG LEU 21 HG LEU 21 188.914 -2.903 7.909 451 HD11 LEU 21 HD11 LEU 21 190.644 -1.398 7.063 452 HD12 LEU 21 HD12 LEU 21 191.702 -2.778 6.766 453 HD13 LEU 21 HD13 LEU 21 191.236 -2.364 8.415 454 HD21 LEU 21 HD21 LEU 21 188.279 -3.928 5.791 455 HD22 LEU 21 HD22 LEU 21 189.923 -3.724 5.188 456 HD23 LEU 21 HD23 LEU 21 188.930 -2.310 5.536 457 H ASP 22 HN ASP 22 190.148 -7.453 6.289 458 HA ASP 22 HA ASP 22 189.976 -9.543 8.325 459 HB2 ASP 22 HB2 ASP 22 189.317 -10.080 5.997 460 HB3 ASP 22 HB1 ASP 22 190.954 -9.708 5.465 461 H TYR 23 HN TYR 23 191.862 -7.122 8.261 462 HA TYR 23 HA TYR 23 194.476 -8.330 8.027 463 HB2 TYR 23 HB2 TYR 23 194.160 -5.998 7.363 464 HB3 TYR 23 HB1 TYR 23 193.629 -5.589 8.990 465 HD1 TYR 23 HD1 TYR 23 196.524 -6.532 6.922 466 HD2 TYR 23 HD2 TYR 23 195.211 -5.267 10.766 467 HE1 TYR 23 HE1 TYR 23 198.851 -6.043 7.550 468 HE2 TYR 23 HE2 TYR 23 197.534 -4.774 11.404 469 HH TYR 23 HH TYR 23 199.807 -5.450 10.749 470 H GLY 24 HN GLY 24 195.796 -8.980 9.658 471 HA2 GLY 24 HA2 GLY 24 196.415 -9.690 11.751 472 HA3 GLY 24 HA1 GLY 24 195.568 -8.275 12.360 473 H ASP 25 HN ASP 25 194.753 -9.337 14.162 474 HA ASP 25 HA ASP 25 193.415 -11.808 14.113 475 HB2 ASP 25 HB2 ASP 25 193.096 -9.500 16.045 476 HB3 ASP 25 HB1 ASP 25 192.519 -11.141 16.318 477 H GLY 26 HN GLY 26 192.343 -8.546 13.459 478 HA2 GLY 26 HA2 GLY 26 190.434 -8.377 11.912 479 HA3 GLY 26 HA1 GLY 26 189.654 -9.624 12.872 480 H LYS 27 HN LYS 27 191.459 -6.903 14.180 481 HA LYS 27 HA LYS 27 189.022 -6.034 15.551 482 HB2 LYS 27 HB2 LYS 27 191.918 -5.322 16.049 483 HB3 LYS 27 HB1 LYS 27 190.558 -4.752 17.006 484 HG2 LYS 27 HG2 LYS 27 190.050 -7.049 17.660 485 HG3 LYS 27 HG1 LYS 27 191.411 -7.623 16.695 486 HD2 LYS 27 HD2 LYS 27 192.947 -6.324 18.090 487 HD3 LYS 27 HD1 LYS 27 191.585 -5.744 19.050 488 HE2 LYS 27 HE2 LYS 27 192.732 -7.585 20.168 489 HE3 LYS 27 HE1 LYS 27 191.082 -8.031 19.735 490 HZ1 LYS 27 HZ1 LYS 27 193.526 -8.776 18.219 491 HZ2 LYS 27 HZ2 LYS 27 191.943 -9.209 17.810 492 HZ3 LYS 27 HZ3 LYS 27 192.642 -9.805 19.232 493 H TRP 28 HN TRP 28 191.528 -4.897 13.365 494 HA TRP 28 HA TRP 28 190.877 -2.168 13.358 495 HB2 TRP 28 HB2 TRP 28 192.006 -3.837 11.100 496 HB3 TRP 28 HB1 TRP 28 192.053 -2.079 11.200 497 HD1 TRP 28 HD1 TRP 28 193.616 -5.207 12.783 498 HE1 TRP 28 HE1 TRP 28 195.788 -4.517 13.978 499 HE3 TRP 28 HE3 TRP 28 193.239 -0.132 12.287 500 HZ2 TRP 28 HZ2 TRP 28 197.161 -2.137 14.625 501 HZ3 TRP 28 HZ3 TRP 28 195.024 1.280 13.222 502 HH2 TRP 28 HH2 TRP 28 196.943 0.297 14.367 503 H VAL 29 HN VAL 29 189.322 -1.000 12.381 504 HA VAL 29 HA VAL 29 187.695 -2.228 10.290 505 HB VAL 29 HB VAL 29 185.592 -1.632 11.353 506 HG11 VAL 29 HG11 VAL 29 187.340 -3.295 13.161 507 HG12 VAL 29 HG12 VAL 29 186.474 -3.870 11.737 508 HG13 VAL 29 HG13 VAL 29 185.577 -3.300 13.145 509 HG21 VAL 29 HG21 VAL 29 186.315 0.276 12.665 510 HG22 VAL 29 HG22 VAL 29 187.284 -0.773 13.700 511 HG23 VAL 29 HG23 VAL 29 185.526 -0.907 13.707 512 H ALA 30 HN ALA 30 186.868 -0.795 8.827 513 HA ALA 30 HA ALA 30 187.931 1.890 8.909 514 HB1 ALA 30 HB1 ALA 30 187.047 2.092 6.645 515 HB2 ALA 30 HB2 ALA 30 186.211 0.549 6.823 516 HB3 ALA 30 HB3 ALA 30 187.974 0.603 6.827 517 H GLN 31 HN GLN 31 186.612 3.799 8.576 518 HA GLN 31 HA GLN 31 183.782 3.572 9.210 519 HB2 GLN 31 HB2 GLN 31 185.242 3.764 11.357 520 HB3 GLN 31 HB1 GLN 31 185.436 5.444 10.875 521 HG2 GLN 31 HG2 GLN 31 182.863 4.024 11.514 522 HG3 GLN 31 HG1 GLN 31 183.653 5.282 12.462 523 HE21 GLN 31 HE21 GLN 31 181.773 4.569 9.638 524 HE22 GLN 31 HE22 GLN 31 181.330 6.198 9.267 525 H TRP 32 HN TRP 32 182.857 4.733 7.658 526 HA TRP 32 HA TRP 32 183.849 7.441 7.150 527 HB2 TRP 32 HB2 TRP 32 183.633 7.158 4.731 528 HB3 TRP 32 HB1 TRP 32 184.798 6.010 5.385 529 HD1 TRP 32 HD1 TRP 32 181.195 6.132 4.020 530 HE1 TRP 32 HE1 TRP 32 180.576 3.784 3.170 531 HE3 TRP 32 HE3 TRP 32 185.358 3.590 5.552 532 HZ2 TRP 32 HZ2 TRP 32 181.702 1.196 3.150 533 HZ3 TRP 32 HZ3 TRP 32 185.508 1.180 5.076 534 HH2 TRP 32 HH2 TRP 32 183.717 0.010 3.901 535 H ASP 33 HN ASP 33 182.271 8.923 7.009 536 HA ASP 33 HA ASP 33 179.585 8.180 7.575 537 HB2 ASP 33 HB2 ASP 33 180.728 10.849 6.726 538 HB3 ASP 33 HB1 ASP 33 179.107 10.596 7.367 539 H THR 34 HN THR 34 177.704 8.762 6.286 540 HA THR 34 HA THR 34 178.101 9.097 3.427 541 HB THR 34 HB THR 34 176.785 7.138 2.800 542 HG1 THR 34 HG1 THR 34 175.686 6.095 4.270 543 HG21 THR 34 HG21 THR 34 179.221 6.904 2.912 544 HG22 THR 34 HG22 THR 34 178.416 5.392 3.335 545 HG23 THR 34 HG23 THR 34 179.099 6.413 4.601 546 H ALA 35 HN ALA 35 175.715 8.774 2.393 547 HA ALA 35 HA ALA 35 173.883 10.340 4.092 548 HB1 ALA 35 HB1 ALA 35 173.083 11.463 2.082 549 HB2 ALA 35 HB2 ALA 35 174.222 10.541 1.101 550 HB3 ALA 35 HB3 ALA 35 174.819 11.701 2.287 551 H VAL 36 HN VAL 36 172.297 9.027 4.721 552 HA VAL 36 HA VAL 36 171.242 7.059 2.806 553 HB VAL 36 HB VAL 36 170.853 7.122 5.801 554 HG11 VAL 36 HG11 VAL 36 170.049 4.827 5.504 555 HG12 VAL 36 HG12 VAL 36 170.238 4.990 3.757 556 HG13 VAL 36 HG13 VAL 36 169.059 5.984 4.613 557 HG21 VAL 36 HG21 VAL 36 172.451 5.261 5.869 558 HG22 VAL 36 HG22 VAL 36 173.194 6.739 5.257 559 HG23 VAL 36 HG23 VAL 36 172.739 5.454 4.139 560 H PHE 37 HN PHE 37 169.092 7.001 2.292 561 HA PHE 37 HA PHE 37 167.221 8.770 3.634 562 HB2 PHE 37 HB2 PHE 37 166.519 9.842 1.502 563 HB3 PHE 37 HB1 PHE 37 168.155 10.276 1.989 564 HD1 PHE 37 HD1 PHE 37 170.042 9.673 0.668 565 HD2 PHE 37 HD2 PHE 37 166.150 8.300 -0.376 566 HE1 PHE 37 HE1 PHE 37 170.888 8.959 -1.529 567 HE2 PHE 37 HE2 PHE 37 166.989 7.581 -2.574 568 HZ PHE 37 HZ PHE 37 169.361 7.911 -3.153 569 H HIS 38 HN HIS 38 165.042 8.265 3.237 570 HA HIS 38 HA HIS 38 164.603 5.523 2.475 571 HB2 HIS 38 HB2 HIS 38 163.420 6.511 4.393 572 HB3 HIS 38 HB1 HIS 38 162.632 7.660 3.317 573 HD1 HIS 38 HD1 HIS 38 160.557 6.884 2.105 574 HD2 HIS 38 HD2 HIS 38 162.523 3.805 4.085 575 HE1 HIS 38 HE1 HIS 38 158.999 4.913 2.000 576 HE2 HIS 38 HE2 HIS 38 160.208 3.060 3.204 577 H THR 39 HN THR 39 163.639 4.749 0.670 578 HA THR 39 HA THR 39 163.188 6.664 -1.499 579 HB THR 39 HB THR 39 163.261 4.713 -3.001 580 HG1 THR 39 HG1 THR 39 163.893 3.206 -0.665 581 HG21 THR 39 HG21 THR 39 165.631 4.156 -2.697 582 HG22 THR 39 HG22 THR 39 165.583 4.839 -1.072 583 HG23 THR 39 HG23 THR 39 165.343 5.882 -2.474 584 H THR 40 HN THR 40 161.177 7.291 -1.888 585 HA THR 40 HA THR 40 158.944 5.611 -1.026 586 HB THR 40 HB THR 40 157.533 7.587 -1.437 587 HG1 THR 40 HG1 THR 40 158.597 9.563 -1.991 588 HG21 THR 40 HG21 THR 40 158.433 9.010 0.346 589 HG22 THR 40 HG22 THR 40 159.988 8.185 0.220 590 HG23 THR 40 HG23 THR 40 158.561 7.301 0.763 591 H1 ALA 1 HT1 ALA 1 173.477 3.868 -14.511 592 H2 ALA 1 HT2 ALA 1 173.093 3.640 -16.143 593 H3 ALA 1 HT3 ALA 1 174.697 3.495 -15.625 594 HA ALA 1 HA ALA 1 172.458 1.721 -14.843 595 HB1 ALA 1 HB1 ALA 1 173.557 0.027 -16.197 596 HB2 ALA 1 HB2 ALA 1 174.803 1.187 -16.661 597 HB3 ALA 1 HB3 ALA 1 173.134 1.430 -17.176 598 HA PRO 2 HA PRO 2 175.351 1.560 -11.291 599 HB2 PRO 2 HB2 PRO 2 173.160 -0.247 -10.400 600 HB3 PRO 2 HB1 PRO 2 173.952 1.076 -9.533 601 HG2 PRO 2 HG2 PRO 2 171.504 1.387 -10.509 602 HG3 PRO 2 HG1 PRO 2 172.687 2.709 -10.560 603 HD2 PRO 2 HD2 PRO 2 171.753 0.928 -12.759 604 HD3 PRO 2 HD1 PRO 2 172.196 2.647 -12.803 605 H VAL 3 HN VAL 3 176.990 0.166 -11.145 606 HA VAL 3 HA VAL 3 176.595 -2.565 -12.169 607 HB VAL 3 HB VAL 3 179.025 -2.622 -12.583 608 HG11 VAL 3 HG11 VAL 3 177.596 -0.304 -13.881 609 HG12 VAL 3 HG12 VAL 3 177.513 -1.993 -14.382 610 HG13 VAL 3 HG13 VAL 3 179.033 -1.108 -14.511 611 HG21 VAL 3 HG21 VAL 3 178.910 0.252 -11.678 612 HG22 VAL 3 HG22 VAL 3 180.273 -0.464 -12.536 613 HG23 VAL 3 HG23 VAL 3 179.822 -1.065 -10.941 614 HA PRO 4 HA PRO 4 177.103 -3.888 -7.920 615 HB2 PRO 4 HB2 PRO 4 177.751 -6.481 -9.207 616 HB3 PRO 4 HB1 PRO 4 176.520 -6.101 -7.995 617 HG2 PRO 4 HG2 PRO 4 175.832 -6.588 -10.516 618 HG3 PRO 4 HG1 PRO 4 174.997 -5.353 -9.553 619 HD2 PRO 4 HD2 PRO 4 177.047 -5.007 -11.693 620 HD3 PRO 4 HD1 PRO 4 175.607 -4.030 -11.333 621 H VAL 5 HN VAL 5 178.776 -4.721 -6.561 622 HA VAL 5 HA VAL 5 181.449 -4.349 -7.710 623 HB VAL 5 HB VAL 5 180.606 -4.400 -4.806 624 HG11 VAL 5 HG11 VAL 5 183.241 -3.625 -6.057 625 HG12 VAL 5 HG12 VAL 5 182.928 -5.104 -5.149 626 HG13 VAL 5 HG13 VAL 5 182.838 -3.539 -4.342 627 HG21 VAL 5 HG21 VAL 5 181.271 -2.083 -6.618 628 HG22 VAL 5 HG22 VAL 5 181.003 -1.970 -4.880 629 HG23 VAL 5 HG23 VAL 5 179.688 -2.468 -5.945 630 H THR 6 HN THR 6 182.854 -5.984 -7.890 631 HA THR 6 HA THR 6 182.006 -8.635 -7.032 632 HB THR 6 HB THR 6 183.887 -9.465 -8.387 633 HG1 THR 6 HG1 THR 6 185.458 -8.031 -8.550 634 HG21 THR 6 HG21 THR 6 183.043 -8.767 -10.583 635 HG22 THR 6 HG22 THR 6 182.171 -7.436 -9.823 636 HG23 THR 6 HG23 THR 6 181.723 -9.103 -9.463 637 H LYS 7 HN LYS 7 184.970 -6.661 -6.833 638 HA LYS 7 HA LYS 7 185.582 -8.013 -4.287 639 HB2 LYS 7 HB2 LYS 7 187.056 -8.692 -6.229 640 HB3 LYS 7 HB1 LYS 7 187.646 -7.037 -6.263 641 HG2 LYS 7 HG2 LYS 7 188.515 -7.267 -4.014 642 HG3 LYS 7 HG1 LYS 7 187.856 -8.901 -3.906 643 HD2 LYS 7 HD2 LYS 7 189.284 -9.536 -5.846 644 HD3 LYS 7 HD1 LYS 7 190.015 -7.931 -5.777 645 HE2 LYS 7 HE2 LYS 7 190.774 -8.379 -3.494 646 HE3 LYS 7 HE1 LYS 7 190.038 -9.980 -3.562 647 HZ1 LYS 7 HZ1 LYS 7 192.245 -9.012 -5.298 648 HZ2 LYS 7 HZ2 LYS 7 191.535 -10.546 -5.376 649 HZ3 LYS 7 HZ3 LYS 7 192.405 -10.086 -4.000 650 H LEU 8 HN LEU 8 185.896 -6.700 -2.595 651 HA LEU 8 HA LEU 8 186.363 -3.838 -3.133 652 HB2 LEU 8 HB2 LEU 8 184.042 -4.577 -2.278 653 HB3 LEU 8 HB1 LEU 8 184.848 -4.857 -0.747 654 HG LEU 8 HG LEU 8 183.752 -2.689 -0.754 655 HD11 LEU 8 HD11 LEU 8 185.897 -2.999 0.464 656 HD12 LEU 8 HD12 LEU 8 185.579 -1.333 -0.016 657 HD13 LEU 8 HD13 LEU 8 186.734 -2.306 -0.925 658 HD21 LEU 8 HD21 LEU 8 183.791 -2.269 -3.155 659 HD22 LEU 8 HD22 LEU 8 185.539 -2.042 -3.095 660 HD23 LEU 8 HD23 LEU 8 184.474 -0.911 -2.261 661 H VAL 9 HN VAL 9 188.379 -3.372 -2.542 662 HA VAL 9 HA VAL 9 189.517 -4.705 -0.184 663 HB VAL 9 HB VAL 9 191.708 -3.939 -1.012 664 HG11 VAL 9 HG11 VAL 9 190.082 -5.448 -3.052 665 HG12 VAL 9 HG12 VAL 9 190.888 -6.141 -1.646 666 HG13 VAL 9 HG13 VAL 9 191.841 -5.430 -2.949 667 HG21 VAL 9 HG21 VAL 9 191.895 -2.981 -3.262 668 HG22 VAL 9 HG22 VAL 9 190.993 -1.925 -2.178 669 HG23 VAL 9 HG23 VAL 9 190.137 -2.903 -3.371 670 H CYS 10 HN CYS 10 191.048 -3.341 1.121 671 HA CYS 10 HA CYS 10 190.337 -0.512 1.224 672 HB2 CYS 10 HB2 CYS 10 188.740 -1.609 2.731 673 HB3 CYS 10 HB1 CYS 10 190.069 -2.370 3.597 674 HG CYS 10 HG CYS 10 188.617 0.297 4.439 675 H ASP 11 HN ASP 11 192.141 0.634 1.379 676 HA ASP 11 HA ASP 11 194.591 -0.668 2.277 677 HB2 ASP 11 HB2 ASP 11 194.634 0.575 0.157 678 HB3 ASP 11 HB1 ASP 11 194.161 2.044 1.003 679 H GLY 12 HN GLY 12 195.001 -0.597 4.386 680 HA2 GLY 12 HA2 GLY 12 193.909 1.426 6.102 681 HA3 GLY 12 HA1 GLY 12 195.004 0.137 6.575 682 H ASP 13 HN ASP 13 196.887 1.047 4.374 683 HA ASP 13 HA ASP 13 198.635 2.545 5.925 684 HB2 ASP 13 HB2 ASP 13 198.470 2.416 2.905 685 HB3 ASP 13 HB1 ASP 13 199.856 2.994 3.825 686 H THR 14 HN THR 14 196.946 3.801 3.043 687 HA THR 14 HA THR 14 197.130 6.491 4.180 688 HB THR 14 HB THR 14 196.485 7.290 1.943 689 HG1 THR 14 HG1 THR 14 195.411 5.864 0.796 690 HG21 THR 14 HG21 THR 14 198.744 5.284 1.904 691 HG22 THR 14 HG22 THR 14 198.853 6.961 2.444 692 HG23 THR 14 HG23 THR 14 198.515 6.600 0.751 693 H TYR 15 HN TYR 15 195.033 4.106 4.553 694 HA TYR 15 HA TYR 15 192.843 3.958 5.142 695 HB2 TYR 15 HB2 TYR 15 192.895 6.981 5.190 696 HB3 TYR 15 HB1 TYR 15 191.745 5.931 6.010 697 HD1 TYR 15 HD1 TYR 15 192.813 4.226 7.711 698 HD2 TYR 15 HD2 TYR 15 194.701 7.799 6.380 699 HE1 TYR 15 HE1 TYR 15 194.253 4.202 9.704 700 HE2 TYR 15 HE2 TYR 15 196.148 7.783 8.369 701 HH TYR 15 HH TYR 15 196.434 5.092 10.413 702 H LYS 16 HN LYS 16 193.668 4.270 2.298 703 HA LYS 16 HA LYS 16 191.310 5.545 1.128 704 HB2 LYS 16 HB2 LYS 16 192.449 5.303 -1.010 705 HB3 LYS 16 HB1 LYS 16 193.509 6.077 0.160 706 HG2 LYS 16 HG2 LYS 16 194.642 3.931 0.531 707 HG3 LYS 16 HG1 LYS 16 193.601 3.188 -0.685 708 HD2 LYS 16 HD2 LYS 16 194.480 4.723 -2.376 709 HD3 LYS 16 HD1 LYS 16 195.514 5.474 -1.160 710 HE2 LYS 16 HE2 LYS 16 196.662 3.336 -0.824 711 HE3 LYS 16 HE1 LYS 16 195.630 2.592 -2.044 712 HZ1 LYS 16 HZ1 LYS 16 197.775 3.209 -2.960 713 HZ2 LYS 16 HZ2 LYS 16 197.533 4.824 -2.518 714 HZ3 LYS 16 HZ3 LYS 16 196.542 4.110 -3.689 715 H CYS 17 HN CYS 17 189.624 4.424 0.394 716 HA CYS 17 HA CYS 17 189.809 1.497 0.396 717 HB2 CYS 17 HB2 CYS 17 188.054 2.481 1.799 718 HB3 CYS 17 HB1 CYS 17 187.380 3.302 0.394 719 HG CYS 17 HG CYS 17 187.064 0.607 -0.851 720 H THR 18 HN THR 18 189.859 0.404 -1.448 721 HA THR 18 HA THR 18 189.075 1.796 -3.923 722 HB THR 18 HB THR 18 190.955 -0.557 -3.634 723 HG1 THR 18 HG1 THR 18 192.403 0.919 -3.215 724 HG21 THR 18 HG21 THR 18 189.839 -0.496 -5.802 725 HG22 THR 18 HG22 THR 18 191.538 -0.057 -5.972 726 HG23 THR 18 HG23 THR 18 190.297 1.195 -6.006 727 H ALA 19 HN ALA 19 187.968 0.594 -5.555 728 HA ALA 19 HA ALA 19 186.760 -1.935 -4.706 729 HB1 ALA 19 HB1 ALA 19 185.108 0.353 -5.760 730 HB2 ALA 19 HB2 ALA 19 185.236 -0.077 -4.056 731 HB3 ALA 19 HB3 ALA 19 184.528 -1.216 -5.201 732 H TYR 20 HN TYR 20 186.305 -3.340 -6.347 733 HA TYR 20 HA TYR 20 187.221 -2.529 -9.013 734 HB2 TYR 20 HB2 TYR 20 186.847 -5.276 -7.804 735 HB3 TYR 20 HB1 TYR 20 187.378 -4.974 -9.456 736 HD1 TYR 20 HD1 TYR 20 188.334 -4.910 -5.928 737 HD2 TYR 20 HD2 TYR 20 189.610 -4.095 -9.905 738 HE1 TYR 20 HE1 TYR 20 190.663 -4.788 -5.149 739 HE2 TYR 20 HE2 TYR 20 191.943 -3.971 -9.137 740 HH TYR 20 HH TYR 20 193.176 -3.537 -7.053 741 H LEU 21 HN LEU 21 185.632 -1.854 -10.292 742 HA LEU 21 HA LEU 21 182.919 -2.760 -9.963 743 HB2 LEU 21 HB2 LEU 21 184.143 -1.009 -12.098 744 HB3 LEU 21 HB1 LEU 21 182.426 -1.256 -11.840 745 HG LEU 21 HG LEU 21 184.330 0.098 -9.929 746 HD11 LEU 21 HD11 LEU 21 183.034 2.103 -10.441 747 HD12 LEU 21 HD12 LEU 21 182.080 1.191 -11.612 748 HD13 LEU 21 HD13 LEU 21 183.803 1.448 -11.887 749 HD21 LEU 21 HD21 LEU 21 182.602 -1.138 -8.732 750 HD22 LEU 21 HD22 LEU 21 181.358 -0.368 -9.716 751 HD23 LEU 21 HD23 LEU 21 182.332 0.601 -8.611 752 H ASP 22 HN ASP 22 181.649 -3.738 -11.645 753 HA ASP 22 HA ASP 22 183.193 -5.703 -13.163 754 HB2 ASP 22 HB2 ASP 22 181.367 -6.495 -11.686 755 HB3 ASP 22 HB1 ASP 22 180.213 -5.571 -12.643 756 H TYR 23 HN TYR 23 182.652 -2.767 -13.878 757 HA TYR 23 HA TYR 23 181.074 -2.957 -16.291 758 HB2 TYR 23 HB2 TYR 23 180.992 -0.911 -14.953 759 HB3 TYR 23 HB1 TYR 23 182.726 -0.683 -15.166 760 HD1 TYR 23 HD1 TYR 23 179.451 -0.567 -16.843 761 HD2 TYR 23 HD2 TYR 23 183.614 0.229 -17.200 762 HE1 TYR 23 HE1 TYR 23 179.020 0.740 -18.880 763 HE2 TYR 23 HE2 TYR 23 183.196 1.539 -19.237 764 HH TYR 23 HH TYR 23 181.485 1.713 -20.996 765 H GLY 24 HN GLY 24 181.807 -3.049 -18.359 766 HA2 GLY 24 HA2 GLY 24 183.253 -3.440 -20.098 767 HA3 GLY 24 HA1 GLY 24 184.389 -2.412 -19.238 768 H ASP 25 HN ASP 25 186.178 -3.654 -19.784 769 HA ASP 25 HA ASP 25 186.363 -6.441 -19.476 770 HB2 ASP 25 HB2 ASP 25 188.558 -4.360 -19.387 771 HB3 ASP 25 HB1 ASP 25 188.807 -6.092 -19.584 772 H GLY 26 HN GLY 26 186.777 -3.801 -17.224 773 HA2 GLY 26 HA2 GLY 26 186.312 -4.366 -14.872 774 HA3 GLY 26 HA1 GLY 26 187.317 -5.789 -15.104 775 H LYS 27 HN LYS 27 188.064 -2.571 -16.312 776 HA LYS 27 HA LYS 27 190.507 -2.607 -14.698 777 HB2 LYS 27 HB2 LYS 27 189.738 -0.888 -17.064 778 HB3 LYS 27 HB1 LYS 27 191.283 -0.825 -16.227 779 HG2 LYS 27 HG2 LYS 27 191.735 -3.134 -16.877 780 HG3 LYS 27 HG1 LYS 27 190.182 -3.201 -17.712 781 HD2 LYS 27 HD2 LYS 27 190.908 -1.405 -19.207 782 HD3 LYS 27 HD1 LYS 27 192.459 -1.332 -18.368 783 HE2 LYS 27 HE2 LYS 27 192.636 -2.610 -20.439 784 HE3 LYS 27 HE1 LYS 27 192.936 -3.630 -19.033 785 HZ1 LYS 27 HZ1 LYS 27 190.382 -3.480 -20.542 786 HZ2 LYS 27 HZ2 LYS 27 190.675 -4.464 -19.198 787 HZ3 LYS 27 HZ3 LYS 27 191.514 -4.733 -20.642 788 H TRP 28 HN TRP 28 187.625 -0.694 -15.322 789 HA TRP 28 HA TRP 28 188.334 1.616 -13.898 790 HB2 TRP 28 HB2 TRP 28 185.584 0.414 -14.280 791 HB3 TRP 28 HB1 TRP 28 185.921 2.072 -13.793 792 HD1 TRP 28 HD1 TRP 28 186.119 -0.245 -16.846 793 HE1 TRP 28 HE1 TRP 28 186.287 1.210 -18.963 794 HE3 TRP 28 HE3 TRP 28 186.636 4.340 -14.643 795 HZ2 TRP 28 HZ2 TRP 28 186.597 3.939 -19.613 796 HZ3 TRP 28 HZ3 TRP 28 186.863 6.321 -16.084 797 HH2 TRP 28 HH2 TRP 28 186.845 6.124 -18.517 798 H VAL 29 HN VAL 29 188.364 2.123 -11.781 799 HA VAL 29 HA VAL 29 187.077 0.342 -9.854 800 HB VAL 29 HB VAL 29 189.057 0.165 -8.455 801 HG11 VAL 29 HG11 VAL 29 189.594 -0.715 -11.290 802 HG12 VAL 29 HG12 VAL 29 188.649 -1.595 -10.088 803 HG13 VAL 29 HG13 VAL 29 190.379 -1.355 -9.845 804 HG21 VAL 29 HG21 VAL 29 190.172 2.235 -9.048 805 HG22 VAL 29 HG22 VAL 29 190.480 1.629 -10.676 806 HG23 VAL 29 HG23 VAL 29 191.264 0.871 -9.290 807 H ALA 30 HN ALA 30 186.389 1.346 -8.012 808 HA ALA 30 HA ALA 30 186.392 4.235 -8.038 809 HB1 ALA 30 HB1 ALA 30 184.839 4.052 -6.168 810 HB2 ALA 30 HB2 ALA 30 185.136 2.316 -6.078 811 HB3 ALA 30 HB3 ALA 30 184.347 3.004 -7.498 812 H GLN 31 HN GLN 31 186.991 5.531 -6.180 813 HA GLN 31 HA GLN 31 188.799 4.315 -4.252 814 HB2 GLN 31 HB2 GLN 31 190.049 5.070 -6.407 815 HB3 GLN 31 HB1 GLN 31 189.797 6.695 -5.786 816 HG2 GLN 31 HG2 GLN 31 191.307 4.458 -4.459 817 HG3 GLN 31 HG1 GLN 31 191.973 5.938 -5.146 818 HE21 GLN 31 HE21 GLN 31 190.238 4.531 -2.495 819 HE22 GLN 31 HE22 GLN 31 190.364 5.882 -1.425 820 H TRP 32 HN TRP 32 188.034 5.029 -2.376 821 HA TRP 32 HA TRP 32 187.553 7.901 -2.057 822 HB2 TRP 32 HB2 TRP 32 185.484 7.502 -0.815 823 HB3 TRP 32 HB1 TRP 32 185.354 6.867 -2.452 824 HD1 TRP 32 HD1 TRP 32 185.811 5.650 1.177 825 HE1 TRP 32 HE1 TRP 32 184.984 3.217 1.321 826 HE3 TRP 32 HE3 TRP 32 184.874 4.816 -3.780 827 HZ2 TRP 32 HZ2 TRP 32 184.058 1.210 -0.433 828 HZ3 TRP 32 HZ3 TRP 32 184.018 2.611 -4.462 829 HH2 TRP 32 HH2 TRP 32 183.620 0.847 -2.822 830 H ASP 33 HN ASP 33 188.375 8.710 -0.220 831 HA ASP 33 HA ASP 33 189.976 7.061 1.455 832 HB2 ASP 33 HB2 ASP 33 189.123 9.943 1.804 833 HB3 ASP 33 HB1 ASP 33 190.382 9.137 2.734 834 H THR 34 HN THR 34 189.788 6.895 3.796 835 HA THR 34 HA THR 34 187.150 7.286 4.949 836 HB THR 34 HB THR 34 186.896 4.971 5.682 837 HG1 THR 34 HG1 THR 34 188.525 3.636 5.532 838 HG21 THR 34 HG21 THR 34 185.852 5.633 3.568 839 HG22 THR 34 HG22 THR 34 186.358 3.944 3.527 840 HG23 THR 34 HG23 THR 34 187.316 5.171 2.698 841 H ALA 35 HN ALA 35 187.276 6.101 7.284 842 HA ALA 35 HA ALA 35 189.839 6.940 8.475 843 HB1 ALA 35 HB1 ALA 35 188.612 7.652 10.457 844 HB2 ALA 35 HB2 ALA 35 187.092 7.181 9.697 845 HB3 ALA 35 HB3 ALA 35 188.041 8.506 9.023 846 H VAL 36 HN VAL 36 190.911 5.160 9.039 847 HA VAL 36 HA VAL 36 189.406 2.899 10.172 848 HB VAL 36 HB VAL 36 192.221 2.887 9.074 849 HG11 VAL 36 HG11 VAL 36 191.973 0.450 9.122 850 HG12 VAL 36 HG12 VAL 36 190.380 0.630 9.856 851 HG13 VAL 36 HG13 VAL 36 191.818 1.152 10.732 852 HG21 VAL 36 HG21 VAL 36 191.269 1.729 7.132 853 HG22 VAL 36 HG22 VAL 36 190.623 3.361 7.302 854 HG23 VAL 36 HG23 VAL 36 189.650 1.972 7.787 855 H PHE 37 HN PHE 37 189.923 2.058 12.151 856 HA PHE 37 HA PHE 37 192.222 3.065 13.609 857 HB2 PHE 37 HB2 PHE 37 190.833 3.762 15.553 858 HB3 PHE 37 HB1 PHE 37 190.585 4.768 14.129 859 HD1 PHE 37 HD1 PHE 37 188.477 4.854 13.025 860 HD2 PHE 37 HD2 PHE 37 189.116 2.148 16.247 861 HE1 PHE 37 HE1 PHE 37 186.055 4.441 13.155 862 HE2 PHE 37 HE2 PHE 37 186.696 1.730 16.382 863 HZ PHE 37 HZ PHE 37 185.162 2.877 14.834 864 H HIS 38 HN HIS 38 192.784 1.799 15.411 865 HA HIS 38 HA HIS 38 191.895 -0.932 15.236 866 HB2 HIS 38 HB2 HIS 38 194.265 -0.394 15.605 867 HB3 HIS 38 HB1 HIS 38 193.857 0.369 17.137 868 HD1 HIS 38 HD1 HIS 38 193.616 -1.131 19.155 869 HD2 HIS 38 HD2 HIS 38 193.987 -3.248 15.598 870 HE1 HIS 38 HE1 HIS 38 193.928 -3.534 19.831 871 HE2 HIS 38 HE2 HIS 38 194.152 -4.798 17.663 872 H THR 39 HN THR 39 190.628 -2.045 16.634 873 HA THR 39 HA THR 39 189.224 -0.472 18.666 874 HB THR 39 HB THR 39 187.573 -2.298 18.687 875 HG1 THR 39 HG1 THR 39 189.103 -3.423 16.561 876 HG21 THR 39 HG21 THR 39 186.678 -1.957 16.428 877 HG22 THR 39 HG22 THR 39 188.231 -1.300 15.912 878 HG23 THR 39 HG23 THR 39 187.270 -0.446 17.119 879 H THR 40 HN THR 40 189.892 -0.620 20.697 880 HA THR 40 HA THR 40 191.405 -2.972 21.552 881 HB THR 40 HB THR 40 191.988 -1.648 23.544 882 HG1 THR 40 HG1 THR 40 191.322 0.566 23.589 883 HG21 THR 40 HG21 THR 40 193.363 0.046 22.422 884 HG22 THR 40 HG22 THR 40 192.421 -0.167 20.947 885 HG23 THR 40 HG23 THR 40 193.409 -1.493 21.560 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 169.819 -0.203 14.538 2 H2 ALA 1 HT2 ALA 1 170.907 1.079 14.720 3 H3 ALA 1 HT3 ALA 1 170.241 0.336 16.085 4 HA ALA 1 HA ALA 1 172.516 -0.371 15.752 5 HB1 ALA 1 HB1 ALA 1 170.509 -2.550 15.192 6 HB2 ALA 1 HB2 ALA 1 170.912 -1.904 16.784 7 HB3 ALA 1 HB3 ALA 1 172.131 -2.772 15.849 8 HA PRO 2 HA PRO 2 174.272 -0.730 11.734 9 HB2 PRO 2 HB2 PRO 2 175.617 -3.194 12.723 10 HB3 PRO 2 HB1 PRO 2 176.320 -1.740 11.998 11 HG2 PRO 2 HG2 PRO 2 176.533 -2.176 14.608 12 HG3 PRO 2 HG1 PRO 2 176.262 -0.544 13.968 13 HD2 PRO 2 HD2 PRO 2 174.342 -2.384 15.306 14 HD3 PRO 2 HD1 PRO 2 174.462 -0.615 15.391 15 H VAL 3 HN VAL 3 174.156 -1.950 9.818 16 HA VAL 3 HA VAL 3 172.719 -4.498 9.935 17 HB VAL 3 HB VAL 3 171.209 -3.816 8.113 18 HG11 VAL 3 HG11 VAL 3 170.432 -3.694 10.417 19 HG12 VAL 3 HG12 VAL 3 169.729 -2.394 9.453 20 HG13 VAL 3 HG13 VAL 3 171.062 -2.052 10.555 21 HG21 VAL 3 HG21 VAL 3 170.970 -1.440 7.548 22 HG22 VAL 3 HG22 VAL 3 172.568 -2.055 7.125 23 HG23 VAL 3 HG23 VAL 3 172.359 -1.063 8.569 24 HA PRO 4 HA PRO 4 175.713 -5.515 6.824 25 HB2 PRO 4 HB2 PRO 4 174.669 -7.832 5.930 26 HB3 PRO 4 HB1 PRO 4 175.396 -7.692 7.537 27 HG2 PRO 4 HG2 PRO 4 172.512 -7.669 6.776 28 HG3 PRO 4 HG1 PRO 4 173.309 -8.474 8.141 29 HD2 PRO 4 HD2 PRO 4 171.969 -6.113 8.374 30 HD3 PRO 4 HD1 PRO 4 173.318 -6.584 9.427 31 H VAL 5 HN VAL 5 176.010 -5.507 4.585 32 HA VAL 5 HA VAL 5 173.802 -4.341 3.079 33 HB VAL 5 HB VAL 5 176.676 -4.736 2.228 34 HG11 VAL 5 HG11 VAL 5 176.149 -3.057 0.519 35 HG12 VAL 5 HG12 VAL 5 174.472 -3.034 1.066 36 HG13 VAL 5 HG13 VAL 5 175.147 -4.498 0.351 37 HG21 VAL 5 HG21 VAL 5 176.548 -3.285 4.177 38 HG22 VAL 5 HG22 VAL 5 175.320 -2.299 3.382 39 HG23 VAL 5 HG23 VAL 5 176.961 -2.354 2.737 40 H THR 6 HN THR 6 172.820 -5.279 1.355 41 HA THR 6 HA THR 6 173.550 -8.074 0.788 42 HB THR 6 HB THR 6 171.246 -8.359 -0.034 43 HG1 THR 6 HG1 THR 6 170.899 -5.674 0.869 44 HG21 THR 6 HG21 THR 6 170.105 -8.208 2.133 45 HG22 THR 6 HG22 THR 6 171.399 -7.177 2.742 46 HG23 THR 6 HG23 THR 6 171.737 -8.853 2.309 47 H LYS 7 HN LYS 7 172.999 -4.936 -0.623 48 HA LYS 7 HA LYS 7 174.105 -5.905 -3.148 49 HB2 LYS 7 HB2 LYS 7 171.601 -5.929 -3.314 50 HB3 LYS 7 HB1 LYS 7 171.616 -4.193 -3.036 51 HG2 LYS 7 HG2 LYS 7 172.834 -3.828 -5.079 52 HG3 LYS 7 HG1 LYS 7 172.990 -5.566 -5.335 53 HD2 LYS 7 HD2 LYS 7 170.541 -5.745 -5.491 54 HD3 LYS 7 HD1 LYS 7 170.412 -3.998 -5.282 55 HE2 LYS 7 HE2 LYS 7 170.243 -4.643 -7.637 56 HE3 LYS 7 HE1 LYS 7 171.661 -3.640 -7.336 57 HZ1 LYS 7 HZ1 LYS 7 172.172 -5.514 -8.781 58 HZ2 LYS 7 HZ2 LYS 7 171.670 -6.601 -7.585 59 HZ3 LYS 7 HZ3 LYS 7 173.028 -5.626 -7.325 60 H LEU 8 HN LEU 8 175.781 -4.652 -3.634 61 HA LEU 8 HA LEU 8 175.661 -1.798 -2.914 62 HB2 LEU 8 HB2 LEU 8 177.196 -3.310 -1.506 63 HB3 LEU 8 HB1 LEU 8 178.209 -3.390 -2.933 64 HG LEU 8 HG LEU 8 179.047 -1.720 -1.381 65 HD11 LEU 8 HD11 LEU 8 177.816 -0.326 -3.747 66 HD12 LEU 8 HD12 LEU 8 179.233 -1.368 -3.844 67 HD13 LEU 8 HD13 LEU 8 179.292 0.111 -2.886 68 HD21 LEU 8 HD21 LEU 8 176.936 -1.180 -0.274 69 HD22 LEU 8 HD22 LEU 8 176.377 -0.364 -1.734 70 HD23 LEU 8 HD23 LEU 8 177.757 0.275 -0.842 71 H VAL 9 HN VAL 9 175.510 -0.681 -4.745 72 HA VAL 9 HA VAL 9 177.156 -1.530 -7.041 73 HB VAL 9 HB VAL 9 175.508 -0.405 -8.499 74 HG11 VAL 9 HG11 VAL 9 175.361 -2.809 -8.117 75 HG12 VAL 9 HG12 VAL 9 173.759 -2.103 -8.324 76 HG13 VAL 9 HG13 VAL 9 174.332 -2.531 -6.711 77 HG21 VAL 9 HG21 VAL 9 174.611 1.195 -6.899 78 HG22 VAL 9 HG22 VAL 9 173.901 -0.119 -5.961 79 HG23 VAL 9 HG23 VAL 9 173.316 0.218 -7.589 80 H CYS 10 HN CYS 10 177.703 0.311 -8.540 81 HA CYS 10 HA CYS 10 178.100 2.833 -7.086 82 HB2 CYS 10 HB2 CYS 10 180.187 1.551 -6.943 83 HB3 CYS 10 HB1 CYS 10 180.213 1.382 -8.695 84 HG CYS 10 HG CYS 10 182.100 3.313 -7.622 85 H ASP 11 HN ASP 11 178.468 4.686 -8.451 86 HA ASP 11 HA ASP 11 177.564 4.311 -11.229 87 HB2 ASP 11 HB2 ASP 11 176.732 6.517 -9.331 88 HB3 ASP 11 HB1 ASP 11 176.301 6.430 -11.037 89 H GLY 12 HN GLY 12 179.044 4.982 -12.623 90 HA2 GLY 12 HA2 GLY 12 181.212 6.694 -11.750 91 HA3 GLY 12 HA1 GLY 12 181.061 5.917 -13.319 92 H ASP 13 HN ASP 13 178.268 7.037 -13.553 93 HA ASP 13 HA ASP 13 178.860 9.274 -15.108 94 HB2 ASP 13 HB2 ASP 13 176.239 8.546 -13.783 95 HB3 ASP 13 HB1 ASP 13 176.429 9.708 -15.092 96 H THR 14 HN THR 14 178.083 9.000 -11.705 97 HA THR 14 HA THR 14 178.688 11.859 -11.398 98 HB THR 14 HB THR 14 176.953 12.025 -9.624 99 HG1 THR 14 HG1 THR 14 176.852 9.601 -9.445 100 HG21 THR 14 HG21 THR 14 175.920 11.233 -12.350 101 HG22 THR 14 HG22 THR 14 176.483 12.837 -11.880 102 HG23 THR 14 HG23 THR 14 175.030 12.162 -11.142 103 H TYR 15 HN TYR 15 179.859 8.987 -10.799 104 HA TYR 15 HA TYR 15 181.217 8.043 -9.239 105 HB2 TYR 15 HB2 TYR 15 181.462 10.860 -8.165 106 HB3 TYR 15 HB1 TYR 15 182.600 9.537 -7.926 107 HD1 TYR 15 HD1 TYR 15 183.511 8.483 -10.198 108 HD2 TYR 15 HD2 TYR 15 181.950 12.420 -9.792 109 HE1 TYR 15 HE1 TYR 15 184.743 9.174 -12.213 110 HE2 TYR 15 HE2 TYR 15 183.176 13.121 -11.805 111 HH TYR 15 HH TYR 15 185.150 12.422 -13.096 112 H LYS 16 HN LYS 16 178.292 8.497 -8.637 113 HA LYS 16 HA LYS 16 178.291 8.659 -5.728 114 HB2 LYS 16 HB2 LYS 16 176.018 8.361 -7.699 115 HB3 LYS 16 HB1 LYS 16 175.826 8.533 -5.960 116 HG2 LYS 16 HG2 LYS 16 177.133 10.579 -7.740 117 HG3 LYS 16 HG1 LYS 16 175.447 10.627 -7.219 118 HD2 LYS 16 HD2 LYS 16 176.190 10.695 -4.877 119 HD3 LYS 16 HD1 LYS 16 177.869 10.687 -5.420 120 HE2 LYS 16 HE2 LYS 16 175.818 12.804 -6.064 121 HE3 LYS 16 HE1 LYS 16 177.099 12.947 -4.861 122 HZ1 LYS 16 HZ1 LYS 16 177.500 12.580 -7.781 123 HZ2 LYS 16 HZ2 LYS 16 178.732 12.713 -6.630 124 HZ3 LYS 16 HZ3 LYS 16 177.710 14.027 -6.929 125 H CYS 17 HN CYS 17 178.486 6.909 -4.507 126 HA CYS 17 HA CYS 17 178.067 4.276 -5.711 127 HB2 CYS 17 HB2 CYS 17 180.207 4.666 -4.577 128 HB3 CYS 17 HB1 CYS 17 179.356 5.050 -3.084 129 HG CYS 17 HG CYS 17 178.151 2.228 -3.614 130 H THR 18 HN THR 18 176.047 3.543 -5.544 131 HA THR 18 HA THR 18 174.372 4.274 -3.291 132 HB THR 18 HB THR 18 173.732 2.468 -5.632 133 HG1 THR 18 HG1 THR 18 172.575 4.441 -6.311 134 HG21 THR 18 HG21 THR 18 172.252 2.106 -3.728 135 HG22 THR 18 HG22 THR 18 171.391 2.932 -5.027 136 HG23 THR 18 HG23 THR 18 171.944 3.839 -3.619 137 H ALA 19 HN ALA 19 173.317 2.740 -1.932 138 HA ALA 19 HA ALA 19 174.391 0.028 -1.884 139 HB1 ALA 19 HB1 ALA 19 175.068 0.141 0.432 140 HB2 ALA 19 HB2 ALA 19 174.558 1.827 0.530 141 HB3 ALA 19 HB3 ALA 19 175.923 1.377 -0.492 142 H TYR 20 HN TYR 20 173.002 -1.465 -1.039 143 HA TYR 20 HA TYR 20 170.375 -0.447 -0.198 144 HB2 TYR 20 HB2 TYR 20 171.142 -3.099 -1.432 145 HB3 TYR 20 HB1 TYR 20 169.520 -2.686 -0.885 146 HD1 TYR 20 HD1 TYR 20 172.073 -2.095 -3.445 147 HD2 TYR 20 HD2 TYR 20 168.144 -1.125 -2.133 148 HE1 TYR 20 HE1 TYR 20 171.591 -1.104 -5.643 149 HE2 TYR 20 HE2 TYR 20 167.651 -0.132 -4.328 150 HH TYR 20 HH TYR 20 168.875 0.839 -6.227 151 H LEU 21 HN LEU 21 170.025 -0.527 1.911 152 HA LEU 21 HA LEU 21 171.576 -2.219 3.643 153 HB2 LEU 21 HB2 LEU 21 169.219 -0.433 4.253 154 HB3 LEU 21 HB1 LEU 21 170.250 -1.197 5.447 155 HG LEU 21 HG LEU 21 171.105 0.908 3.461 156 HD11 LEU 21 HD11 LEU 21 170.738 1.026 6.451 157 HD12 LEU 21 HD12 LEU 21 169.703 1.791 5.246 158 HD13 LEU 21 HD13 LEU 21 171.375 2.320 5.436 159 HD21 LEU 21 HD21 LEU 21 172.902 -0.675 3.919 160 HD22 LEU 21 HD22 LEU 21 172.663 -0.459 5.653 161 HD23 LEU 21 HD23 LEU 21 173.233 0.887 4.666 162 H ASP 22 HN ASP 22 170.647 -3.717 5.183 163 HA ASP 22 HA ASP 22 168.496 -5.283 3.969 164 HB2 ASP 22 HB2 ASP 22 170.626 -6.415 4.536 165 HB3 ASP 22 HB1 ASP 22 170.373 -6.008 6.231 166 H TYR 23 HN TYR 23 168.242 -2.759 5.688 167 HA TYR 23 HA TYR 23 166.820 -3.739 8.020 168 HB2 TYR 23 HB2 TYR 23 168.208 -1.736 8.238 169 HB3 TYR 23 HB1 TYR 23 167.262 -0.926 6.994 170 HD1 TYR 23 HD1 TYR 23 165.125 0.040 7.496 171 HD2 TYR 23 HD2 TYR 23 167.235 -2.161 10.461 172 HE1 TYR 23 HE1 TYR 23 163.595 0.905 9.215 173 HE2 TYR 23 HE2 TYR 23 165.711 -1.305 12.190 174 HH TYR 23 HH TYR 23 164.212 0.615 12.538 175 H GLY 24 HN GLY 24 164.615 -3.485 8.402 176 HA2 GLY 24 HA2 GLY 24 162.382 -3.317 7.886 177 HA3 GLY 24 HA1 GLY 24 162.836 -2.209 6.600 178 H ASP 25 HN ASP 25 162.858 -2.911 4.522 179 HA ASP 25 HA ASP 25 162.653 -5.776 3.989 180 HB2 ASP 25 HB2 ASP 25 160.330 -4.940 4.214 181 HB3 ASP 25 HB1 ASP 25 160.643 -3.773 2.934 182 H GLY 26 HN GLY 26 164.502 -3.366 3.488 183 HA2 GLY 26 HA2 GLY 26 166.139 -3.172 1.825 184 HA3 GLY 26 HA1 GLY 26 165.124 -4.119 0.747 185 H LYS 27 HN LYS 27 164.141 -1.248 2.544 186 HA LYS 27 HA LYS 27 163.553 0.055 -0.020 187 HB2 LYS 27 HB2 LYS 27 162.514 0.630 2.760 188 HB3 LYS 27 HB1 LYS 27 162.068 1.528 1.316 189 HG2 LYS 27 HG2 LYS 27 161.546 -1.397 1.798 190 HG3 LYS 27 HG1 LYS 27 160.361 -0.097 1.924 191 HD2 LYS 27 HD2 LYS 27 160.681 0.420 -0.449 192 HD3 LYS 27 HD1 LYS 27 161.862 -0.885 -0.572 193 HE2 LYS 27 HE2 LYS 27 158.952 -1.195 0.158 194 HE3 LYS 27 HE1 LYS 27 159.669 -1.576 -1.407 195 HZ1 LYS 27 HZ1 LYS 27 159.392 -3.556 -0.054 196 HZ2 LYS 27 HZ2 LYS 27 160.348 -2.888 1.171 197 HZ3 LYS 27 HZ3 LYS 27 161.034 -3.255 -0.330 198 H TRP 28 HN TRP 28 165.366 0.399 2.943 199 HA TRP 28 HA TRP 28 166.123 3.133 2.420 200 HB2 TRP 28 HB2 TRP 28 167.197 1.149 4.436 201 HB3 TRP 28 HB1 TRP 28 167.578 2.867 4.395 202 HD1 TRP 28 HD1 TRP 28 164.771 0.442 5.313 203 HE1 TRP 28 HE1 TRP 28 163.014 1.702 6.709 204 HE3 TRP 28 HE3 TRP 28 166.591 5.193 4.808 205 HZ2 TRP 28 HZ2 TRP 28 162.471 4.359 7.492 206 HZ3 TRP 28 HZ3 TRP 28 165.393 7.038 5.913 207 HH2 TRP 28 HH2 TRP 28 163.376 6.627 7.226 208 H VAL 29 HN VAL 29 168.030 3.877 1.595 209 HA VAL 29 HA VAL 29 170.103 1.946 0.872 210 HB VAL 29 HB VAL 29 170.281 2.847 -1.411 211 HG11 VAL 29 HG11 VAL 29 169.027 0.798 -1.038 212 HG12 VAL 29 HG12 VAL 29 168.300 1.739 -2.340 213 HG13 VAL 29 HG13 VAL 29 167.561 1.731 -0.739 214 HG21 VAL 29 HG21 VAL 29 168.456 4.200 -2.340 215 HG22 VAL 29 HG22 VAL 29 169.294 5.040 -1.037 216 HG23 VAL 29 HG23 VAL 29 167.722 4.299 -0.740 217 H ALA 30 HN ALA 30 172.143 2.753 0.943 218 HA ALA 30 HA ALA 30 172.420 5.517 1.867 219 HB1 ALA 30 HB1 ALA 30 174.615 4.864 2.660 220 HB2 ALA 30 HB2 ALA 30 174.448 3.284 1.895 221 HB3 ALA 30 HB3 ALA 30 173.400 3.727 3.243 222 H GLN 31 HN GLN 31 174.179 6.840 1.046 223 HA GLN 31 HA GLN 31 175.333 6.098 -1.509 224 HB2 GLN 31 HB2 GLN 31 173.501 8.486 -1.245 225 HB3 GLN 31 HB1 GLN 31 174.491 8.122 -2.651 226 HG2 GLN 31 HG2 GLN 31 173.253 5.969 -2.871 227 HG3 GLN 31 HG1 GLN 31 172.182 6.518 -1.585 228 HE21 GLN 31 HE21 GLN 31 172.235 9.298 -2.466 229 HE22 GLN 31 HE22 GLN 31 171.263 9.371 -3.889 230 H TRP 32 HN TRP 32 177.228 7.133 -1.938 231 HA TRP 32 HA TRP 32 177.976 9.537 -0.523 232 HB2 TRP 32 HB2 TRP 32 179.985 8.553 0.515 233 HB3 TRP 32 HB1 TRP 32 178.506 7.849 1.159 234 HD1 TRP 32 HD1 TRP 32 181.495 6.986 -1.089 235 HE1 TRP 32 HE1 TRP 32 181.667 4.424 -1.269 236 HE3 TRP 32 HE3 TRP 32 177.174 5.710 1.329 237 HZ2 TRP 32 HZ2 TRP 32 180.170 2.162 -0.489 238 HZ3 TRP 32 HZ3 TRP 32 176.618 3.325 1.569 239 HH2 TRP 32 HH2 TRP 32 178.086 1.589 0.677 240 H ASP 33 HN ASP 33 179.466 10.703 -1.627 241 HA ASP 33 HA ASP 33 180.037 10.058 -4.296 242 HB2 ASP 33 HB2 ASP 33 181.371 12.076 -2.479 243 HB3 ASP 33 HB1 ASP 33 181.564 12.014 -4.228 244 H THR 34 HN THR 34 182.114 9.719 -5.306 245 HA THR 34 HA THR 34 184.286 8.732 -3.656 246 HB THR 34 HB THR 34 184.421 6.551 -4.757 247 HG1 THR 34 HG1 THR 34 183.247 6.163 -6.470 248 HG21 THR 34 HG21 THR 34 181.700 7.023 -3.534 249 HG22 THR 34 HG22 THR 34 183.189 6.733 -2.637 250 HG23 THR 34 HG23 THR 34 182.522 5.470 -3.671 251 H ALA 35 HN ALA 35 185.969 7.662 -5.352 252 HA ALA 35 HA ALA 35 186.155 9.524 -7.629 253 HB1 ALA 35 HB1 ALA 35 188.433 8.577 -5.892 254 HB2 ALA 35 HB2 ALA 35 187.706 10.184 -5.854 255 HB3 ALA 35 HB3 ALA 35 188.565 9.639 -7.294 256 H VAL 36 HN VAL 36 185.883 8.369 -9.422 257 HA VAL 36 HA VAL 36 187.045 5.668 -9.557 258 HB VAL 36 HB VAL 36 184.890 6.844 -11.319 259 HG11 VAL 36 HG11 VAL 36 186.160 5.098 -12.422 260 HG12 VAL 36 HG12 VAL 36 184.546 4.512 -12.021 261 HG13 VAL 36 HG13 VAL 36 185.929 4.027 -11.040 262 HG21 VAL 36 HG21 VAL 36 183.341 5.401 -10.077 263 HG22 VAL 36 HG22 VAL 36 184.086 6.614 -9.036 264 HG23 VAL 36 HG23 VAL 36 184.651 4.944 -8.988 265 H PHE 37 HN PHE 37 188.127 5.015 -11.479 266 HA PHE 37 HA PHE 37 188.667 6.700 -13.660 267 HB2 PHE 37 HB2 PHE 37 191.019 7.287 -13.184 268 HB3 PHE 37 HB1 PHE 37 189.905 8.055 -12.059 269 HD1 PHE 37 HD1 PHE 37 189.766 7.297 -9.736 270 HD2 PHE 37 HD2 PHE 37 192.605 5.659 -12.449 271 HE1 PHE 37 HE1 PHE 37 191.031 6.365 -7.844 272 HE2 PHE 37 HE2 PHE 37 193.875 4.723 -10.562 273 HZ PHE 37 HZ PHE 37 193.088 5.075 -8.255 274 H HIS 38 HN HIS 38 189.930 5.693 -15.238 275 HA HIS 38 HA HIS 38 189.980 2.881 -15.168 276 HB2 HIS 38 HB2 HIS 38 189.809 4.169 -17.257 277 HB3 HIS 38 HB1 HIS 38 191.451 4.762 -17.027 278 HD1 HIS 38 HD1 HIS 38 193.344 3.270 -17.787 279 HD2 HIS 38 HD2 HIS 38 189.644 1.385 -17.915 280 HE1 HIS 38 HE1 HIS 38 193.735 1.105 -19.005 281 HE2 HIS 38 HE2 HIS 38 191.482 -0.021 -19.071 282 H THR 39 HN THR 39 191.693 1.416 -15.051 283 HA THR 39 HA THR 39 194.300 2.445 -14.202 284 HB THR 39 HB THR 39 194.424 0.831 -12.345 285 HG1 THR 39 HG1 THR 39 191.662 0.392 -12.915 286 HG21 THR 39 HG21 THR 39 192.913 1.993 -10.800 287 HG22 THR 39 HG22 THR 39 192.048 2.689 -12.171 288 HG23 THR 39 HG23 THR 39 193.731 3.128 -11.875 289 H THR 40 HN THR 40 196.027 1.156 -14.741 290 HA THR 40 HA THR 40 195.441 -0.998 -16.622 291 HB THR 40 HB THR 40 197.830 -0.878 -17.211 292 HG1 THR 40 HG1 THR 40 198.572 -0.172 -15.116 293 HG21 THR 40 HG21 THR 40 197.810 1.366 -18.204 294 HG22 THR 40 HG22 THR 40 196.465 1.817 -17.155 295 HG23 THR 40 HG23 THR 40 196.247 0.570 -18.384 296 H1 ALA 1 HT1 ALA 1 199.347 -3.611 3.410 297 H2 ALA 1 HT2 ALA 1 199.169 -2.027 2.847 298 H3 ALA 1 HT3 ALA 1 200.580 -2.892 2.501 299 HA ALA 1 HA ALA 1 199.147 -2.788 0.572 300 HB1 ALA 1 HB1 ALA 1 199.306 -5.547 1.778 301 HB2 ALA 1 HB2 ALA 1 200.599 -4.732 0.898 302 HB3 ALA 1 HB3 ALA 1 199.106 -5.167 0.067 303 HA PRO 2 HA PRO 2 194.763 -2.702 0.934 304 HB2 PRO 2 HB2 PRO 2 194.699 -4.507 -1.431 305 HB3 PRO 2 HB1 PRO 2 193.922 -2.936 -1.192 306 HG2 PRO 2 HG2 PRO 2 196.059 -3.153 -2.750 307 HG3 PRO 2 HG1 PRO 2 195.829 -1.742 -1.697 308 HD2 PRO 2 HD2 PRO 2 197.658 -4.069 -1.358 309 HD3 PRO 2 HD1 PRO 2 197.901 -2.365 -0.926 310 H VAL 3 HN VAL 3 192.980 -3.974 1.549 311 HA VAL 3 HA VAL 3 193.422 -6.852 1.847 312 HB VAL 3 HB VAL 3 192.607 -6.812 4.171 313 HG11 VAL 3 HG11 VAL 3 195.004 -6.860 3.749 314 HG12 VAL 3 HG12 VAL 3 194.647 -5.926 5.202 315 HG13 VAL 3 HG13 VAL 3 195.043 -5.098 3.696 316 HG21 VAL 3 HG21 VAL 3 192.523 -4.690 5.401 317 HG22 VAL 3 HG22 VAL 3 191.336 -4.738 4.098 318 HG23 VAL 3 HG23 VAL 3 192.825 -3.815 3.900 319 HA PRO 4 HA PRO 4 189.181 -6.917 0.554 320 HB2 PRO 4 HB2 PRO 4 188.583 -9.490 1.088 321 HB3 PRO 4 HB1 PRO 4 189.676 -9.035 -0.228 322 HG2 PRO 4 HG2 PRO 4 190.342 -10.039 2.501 323 HG3 PRO 4 HG1 PRO 4 191.071 -10.460 0.939 324 HD2 PRO 4 HD2 PRO 4 192.195 -8.695 2.684 325 HD3 PRO 4 HD1 PRO 4 192.435 -8.625 0.927 326 H VAL 5 HN VAL 5 187.079 -6.909 1.381 327 HA VAL 5 HA VAL 5 186.923 -6.641 4.280 328 HB VAL 5 HB VAL 5 184.800 -6.062 2.209 329 HG11 VAL 5 HG11 VAL 5 183.756 -4.745 3.994 330 HG12 VAL 5 HG12 VAL 5 185.012 -5.275 5.113 331 HG13 VAL 5 HG13 VAL 5 183.888 -6.448 4.431 332 HG21 VAL 5 HG21 VAL 5 186.754 -4.656 1.852 333 HG22 VAL 5 HG22 VAL 5 186.746 -4.189 3.553 334 HG23 VAL 5 HG23 VAL 5 185.417 -3.706 2.500 335 H THR 6 HN THR 6 185.743 -7.934 5.602 336 HA THR 6 HA THR 6 184.554 -10.331 4.374 337 HB THR 6 HB THR 6 184.860 -11.428 6.558 338 HG1 THR 6 HG1 THR 6 186.153 -8.988 7.278 339 HG21 THR 6 HG21 THR 6 187.309 -11.580 6.509 340 HG22 THR 6 HG22 THR 6 187.377 -10.141 5.492 341 HG23 THR 6 HG23 THR 6 186.628 -11.617 4.882 342 H LYS 7 HN LYS 7 183.969 -7.640 6.511 343 HA LYS 7 HA LYS 7 181.118 -8.283 6.496 344 HB2 LYS 7 HB2 LYS 7 182.125 -9.173 8.615 345 HB3 LYS 7 HB1 LYS 7 182.583 -7.528 9.030 346 HG2 LYS 7 HG2 LYS 7 180.273 -6.857 9.126 347 HG3 LYS 7 HG1 LYS 7 179.755 -8.447 8.559 348 HD2 LYS 7 HD2 LYS 7 180.726 -9.461 10.579 349 HD3 LYS 7 HD1 LYS 7 181.191 -7.857 11.147 350 HE2 LYS 7 HE2 LYS 7 179.119 -8.628 12.201 351 HE3 LYS 7 HE1 LYS 7 178.856 -7.187 11.222 352 HZ1 LYS 7 HZ1 LYS 7 177.114 -8.833 10.888 353 HZ2 LYS 7 HZ2 LYS 7 178.257 -9.971 10.380 354 HZ3 LYS 7 HZ3 LYS 7 177.983 -8.580 9.457 355 H LEU 8 HN LEU 8 180.077 -6.554 5.761 356 HA LEU 8 HA LEU 8 181.127 -3.885 6.436 357 HB2 LEU 8 HB2 LEU 8 181.461 -4.713 4.021 358 HB3 LEU 8 HB1 LEU 8 179.731 -4.504 3.847 359 HG LEU 8 HG LEU 8 180.919 -2.580 2.960 360 HD11 LEU 8 HD11 LEU 8 179.587 -1.801 5.544 361 HD12 LEU 8 HD12 LEU 8 178.715 -2.297 4.095 362 HD13 LEU 8 HD13 LEU 8 179.718 -0.847 4.068 363 HD21 LEU 8 HD21 LEU 8 182.933 -2.748 4.334 364 HD22 LEU 8 HD22 LEU 8 182.014 -2.242 5.750 365 HD23 LEU 8 HD23 LEU 8 182.242 -1.128 4.401 366 H VAL 9 HN VAL 9 179.730 -2.972 7.792 367 HA VAL 9 HA VAL 9 176.847 -3.306 7.266 368 HB VAL 9 HB VAL 9 176.470 -2.883 9.671 369 HG11 VAL 9 HG11 VAL 9 176.569 -5.171 8.835 370 HG12 VAL 9 HG12 VAL 9 177.216 -5.068 10.471 371 HG13 VAL 9 HG13 VAL 9 178.313 -5.200 9.096 372 HG21 VAL 9 HG21 VAL 9 178.492 -1.617 10.157 373 HG22 VAL 9 HG22 VAL 9 179.477 -3.052 9.868 374 HG23 VAL 9 HG23 VAL 9 178.359 -3.010 11.233 375 H CYS 10 HN CYS 10 175.511 -1.458 8.126 376 HA CYS 10 HA CYS 10 176.926 1.110 7.922 377 HB2 CYS 10 HB2 CYS 10 175.925 0.630 5.733 378 HB3 CYS 10 HB1 CYS 10 174.354 0.400 6.493 379 HG CYS 10 HG CYS 10 174.670 2.909 5.060 380 H ASP 11 HN ASP 11 175.792 2.912 8.868 381 HA ASP 11 HA ASP 11 173.723 2.126 10.811 382 HB2 ASP 11 HB2 ASP 11 176.053 3.995 11.298 383 HB3 ASP 11 HB1 ASP 11 174.744 3.688 12.435 384 H GLY 12 HN GLY 12 171.900 3.201 10.480 385 HA2 GLY 12 HA2 GLY 12 171.883 5.591 8.843 386 HA3 GLY 12 HA1 GLY 12 170.478 4.739 9.464 387 H ASP 13 HN ASP 13 171.703 4.820 12.221 388 HA ASP 13 HA ASP 13 170.350 7.052 13.198 389 HB2 ASP 13 HB2 ASP 13 172.630 5.528 14.477 390 HB3 ASP 13 HB1 ASP 13 171.540 6.625 15.320 391 H THR 14 HN THR 14 173.661 6.681 12.125 392 HA THR 14 HA THR 14 174.014 9.583 12.405 393 HB THR 14 HB THR 14 176.394 9.224 13.031 394 HG1 THR 14 HG1 THR 14 176.291 6.923 12.248 395 HG21 THR 14 HG21 THR 14 174.377 8.004 14.920 396 HG22 THR 14 HG22 THR 14 174.733 9.723 14.754 397 HG23 THR 14 HG23 THR 14 175.965 8.624 15.372 398 H TYR 15 HN TYR 15 173.635 7.319 10.236 399 HA TYR 15 HA TYR 15 174.258 6.971 8.077 400 HB2 TYR 15 HB2 TYR 15 175.445 9.745 8.272 401 HB3 TYR 15 HB1 TYR 15 174.961 8.906 6.802 402 HD1 TYR 15 HD1 TYR 15 172.413 8.128 6.799 403 HD2 TYR 15 HD2 TYR 15 173.990 11.303 9.151 404 HE1 TYR 15 HE1 TYR 15 170.164 9.108 6.975 405 HE2 TYR 15 HE2 TYR 15 171.746 12.291 9.335 406 HH TYR 15 HH TYR 15 169.612 12.255 8.111 407 H LYS 16 HN LYS 16 176.194 6.418 10.330 408 HA LYS 16 HA LYS 16 178.770 6.701 8.995 409 HB2 LYS 16 HB2 LYS 16 178.048 5.552 11.698 410 HB3 LYS 16 HB1 LYS 16 179.686 5.725 11.082 411 HG2 LYS 16 HG2 LYS 16 177.781 8.014 11.520 412 HG3 LYS 16 HG1 LYS 16 179.022 7.503 12.666 413 HD2 LYS 16 HD2 LYS 16 180.745 7.927 10.964 414 HD3 LYS 16 HD1 LYS 16 179.492 8.473 9.848 415 HE2 LYS 16 HE2 LYS 16 180.142 9.724 12.514 416 HE3 LYS 16 HE1 LYS 16 180.625 10.353 10.939 417 HZ1 LYS 16 HZ1 LYS 16 177.829 10.015 11.885 418 HZ2 LYS 16 HZ2 LYS 16 178.288 10.615 10.371 419 HZ3 LYS 16 HZ3 LYS 16 178.664 11.483 11.774 420 H CYS 17 HN CYS 17 179.530 5.182 7.690 421 HA CYS 17 HA CYS 17 178.332 2.513 7.759 422 HB2 CYS 17 HB2 CYS 17 178.389 3.666 5.593 423 HB3 CYS 17 HB1 CYS 17 180.140 3.800 5.702 424 HG CYS 17 HG CYS 17 179.874 0.715 6.031 425 H THR 18 HN THR 18 179.318 1.140 9.094 426 HA THR 18 HA THR 18 182.161 1.351 9.626 427 HB THR 18 HB THR 18 180.172 -0.667 10.683 428 HG1 THR 18 HG1 THR 18 180.360 0.755 12.590 429 HG21 THR 18 HG21 THR 18 182.481 -1.430 10.870 430 HG22 THR 18 HG22 THR 18 181.842 -1.010 12.459 431 HG23 THR 18 HG23 THR 18 182.939 0.094 11.628 432 H ALA 19 HN ALA 19 183.647 -0.390 9.347 433 HA ALA 19 HA ALA 19 182.849 -2.562 7.571 434 HB1 ALA 19 HB1 ALA 19 184.584 -2.119 5.951 435 HB2 ALA 19 HB2 ALA 19 185.121 -0.710 6.864 436 HB3 ALA 19 HB3 ALA 19 183.536 -0.708 6.091 437 H TYR 20 HN TYR 20 184.041 -4.402 7.824 438 HA TYR 20 HA TYR 20 186.123 -4.311 9.901 439 HB2 TYR 20 HB2 TYR 20 184.349 -6.591 9.007 440 HB3 TYR 20 HB1 TYR 20 185.630 -6.736 10.206 441 HD1 TYR 20 HD1 TYR 20 182.279 -5.420 9.528 442 HD2 TYR 20 HD2 TYR 20 185.367 -5.800 12.429 443 HE1 TYR 20 HE1 TYR 20 180.697 -4.755 11.288 444 HE2 TYR 20 HE2 TYR 20 183.792 -5.138 14.199 445 HH TYR 20 HH TYR 20 181.685 -3.891 14.416 446 H LEU 21 HN LEU 21 188.125 -4.412 9.154 447 HA LEU 21 HA LEU 21 188.716 -5.389 6.516 448 HB2 LEU 21 HB2 LEU 21 190.566 -4.496 8.729 449 HB3 LEU 21 HB1 LEU 21 191.042 -4.805 7.070 450 HG LEU 21 HG LEU 21 189.170 -2.626 7.996 451 HD11 LEU 21 HD11 LEU 21 191.979 -2.506 6.909 452 HD12 LEU 21 HD12 LEU 21 191.496 -2.198 8.577 453 HD13 LEU 21 HD13 LEU 21 190.959 -1.119 7.290 454 HD21 LEU 21 HD21 LEU 21 188.541 -3.473 5.798 455 HD22 LEU 21 HD22 LEU 21 190.202 -3.274 5.238 456 HD23 LEU 21 HD23 LEU 21 189.244 -1.861 5.675 457 H ASP 22 HN ASP 22 190.306 -7.045 6.059 458 HA ASP 22 HA ASP 22 190.035 -9.306 7.892 459 HB2 ASP 22 HB2 ASP 22 189.405 -9.611 5.514 460 HB3 ASP 22 HB1 ASP 22 191.063 -9.240 5.046 461 H TYR 23 HN TYR 23 191.981 -6.949 8.095 462 HA TYR 23 HA TYR 23 194.560 -8.251 7.830 463 HB2 TYR 23 HB2 TYR 23 194.366 -5.886 7.237 464 HB3 TYR 23 HB1 TYR 23 193.813 -5.507 8.864 465 HD1 TYR 23 HD1 TYR 23 195.362 -5.311 10.685 466 HD2 TYR 23 HD2 TYR 23 196.713 -6.519 6.836 467 HE1 TYR 23 HE1 TYR 23 197.688 -4.949 11.394 468 HE2 TYR 23 HE2 TYR 23 199.044 -6.162 7.535 469 HH TYR 23 HH TYR 23 200.283 -4.860 9.213 470 H GLY 24 HN GLY 24 195.945 -8.753 9.533 471 HA2 GLY 24 HA2 GLY 24 196.545 -9.385 11.660 472 HA3 GLY 24 HA1 GLY 24 195.346 -8.248 12.259 473 H ASP 25 HN ASP 25 193.424 -8.993 13.004 474 HA ASP 25 HA ASP 25 192.686 -11.774 12.503 475 HB2 ASP 25 HB2 ASP 25 194.063 -11.778 14.565 476 HB3 ASP 25 HB1 ASP 25 192.941 -10.634 15.296 477 H GLY 26 HN GLY 26 191.699 -8.901 12.007 478 HA2 GLY 26 HA2 GLY 26 189.507 -8.233 11.523 479 HA3 GLY 26 HA1 GLY 26 188.910 -9.517 12.563 480 H LYS 27 HN LYS 27 191.305 -7.080 13.434 481 HA LYS 27 HA LYS 27 189.491 -6.176 15.557 482 HB2 LYS 27 HB2 LYS 27 192.485 -5.869 15.267 483 HB3 LYS 27 HB1 LYS 27 191.536 -5.243 16.609 484 HG2 LYS 27 HG2 LYS 27 191.829 -8.146 15.864 485 HG3 LYS 27 HG1 LYS 27 192.653 -7.327 17.193 486 HD2 LYS 27 HD2 LYS 27 190.487 -6.840 18.228 487 HD3 LYS 27 HD1 LYS 27 189.667 -7.663 16.899 488 HE2 LYS 27 HE2 LYS 27 191.613 -8.921 18.833 489 HE3 LYS 27 HE1 LYS 27 189.859 -9.102 18.869 490 HZ1 LYS 27 HZ1 LYS 27 190.923 -10.994 17.813 491 HZ2 LYS 27 HZ2 LYS 27 191.643 -9.983 16.663 492 HZ3 LYS 27 HZ3 LYS 27 189.961 -10.160 16.698 493 H TRP 28 HN TRP 28 191.299 -5.097 12.773 494 HA TRP 28 HA TRP 28 190.837 -2.296 13.284 495 HB2 TRP 28 HB2 TRP 28 191.861 -3.698 10.805 496 HB3 TRP 28 HB1 TRP 28 191.866 -1.957 11.068 497 HD1 TRP 28 HD1 TRP 28 193.660 -5.156 12.143 498 HE1 TRP 28 HE1 TRP 28 195.857 -4.514 13.322 499 HE3 TRP 28 HE3 TRP 28 192.981 -0.096 12.428 500 HZ2 TRP 28 HZ2 TRP 28 197.132 -2.172 14.250 501 HZ3 TRP 28 HZ3 TRP 28 194.737 1.273 13.475 502 HH2 TRP 28 HH2 TRP 28 196.769 0.254 14.367 503 H VAL 29 HN VAL 29 189.328 -0.981 12.357 504 HA VAL 29 HA VAL 29 187.491 -2.111 10.383 505 HB VAL 29 HB VAL 29 185.518 -1.308 11.617 506 HG11 VAL 29 HG11 VAL 29 186.165 -3.645 11.804 507 HG12 VAL 29 HG12 VAL 29 185.477 -3.070 13.323 508 HG13 VAL 29 HG13 VAL 29 187.223 -3.259 13.162 509 HG21 VAL 29 HG21 VAL 29 185.717 -0.708 13.988 510 HG22 VAL 29 HG22 VAL 29 186.582 0.427 12.953 511 HG23 VAL 29 HG23 VAL 29 187.473 -0.795 13.858 512 H ALA 30 HN ALA 30 186.713 -0.652 8.941 513 HA ALA 30 HA ALA 30 187.749 2.079 9.165 514 HB1 ALA 30 HB1 ALA 30 187.349 2.255 6.780 515 HB2 ALA 30 HB2 ALA 30 186.554 0.681 6.774 516 HB3 ALA 30 HB3 ALA 30 188.277 0.797 7.131 517 H GLN 31 HN GLN 31 186.383 3.887 8.545 518 HA GLN 31 HA GLN 31 183.514 3.471 8.579 519 HB2 GLN 31 HB2 GLN 31 184.894 5.095 10.722 520 HB3 GLN 31 HB1 GLN 31 183.157 5.030 10.464 521 HG2 GLN 31 HG2 GLN 31 183.261 2.575 10.888 522 HG3 GLN 31 HG1 GLN 31 184.955 2.780 11.328 523 HE21 GLN 31 HE21 GLN 31 184.509 5.368 12.600 524 HE22 GLN 31 HE22 GLN 31 183.717 5.037 14.096 525 H TRP 32 HN TRP 32 182.393 5.075 7.567 526 HA TRP 32 HA TRP 32 183.596 7.650 7.056 527 HB2 TRP 32 HB2 TRP 32 183.456 7.465 4.601 528 HB3 TRP 32 HB1 TRP 32 184.613 6.324 5.277 529 HD1 TRP 32 HD1 TRP 32 181.151 6.441 3.625 530 HE1 TRP 32 HE1 TRP 32 180.589 4.089 2.743 531 HE3 TRP 32 HE3 TRP 32 185.105 3.868 5.595 532 HZ2 TRP 32 HZ2 TRP 32 181.677 1.487 2.867 533 HZ3 TRP 32 HZ3 TRP 32 185.271 1.450 5.168 534 HH2 TRP 32 HH2 TRP 32 183.590 0.286 3.832 535 H ASP 33 HN ASP 33 182.087 9.206 6.739 536 HA ASP 33 HA ASP 33 179.398 8.677 7.336 537 HB2 ASP 33 HB2 ASP 33 180.633 11.111 6.029 538 HB3 ASP 33 HB1 ASP 33 179.001 11.039 6.686 539 H THR 34 HN THR 34 177.509 9.027 6.010 540 HA THR 34 HA THR 34 177.831 8.921 3.129 541 HB THR 34 HB THR 34 176.524 6.871 2.840 542 HG1 THR 34 HG1 THR 34 175.514 6.028 4.492 543 HG21 THR 34 HG21 THR 34 178.915 6.436 4.635 544 HG22 THR 34 HG22 THR 34 178.978 6.717 2.895 545 HG23 THR 34 HG23 THR 34 178.218 5.255 3.527 546 H ALA 35 HN ALA 35 175.429 8.418 2.215 547 HA ALA 35 HA ALA 35 173.580 10.127 3.749 548 HB1 ALA 35 HB1 ALA 35 173.934 10.100 0.753 549 HB2 ALA 35 HB2 ALA 35 174.508 11.359 1.847 550 HB3 ALA 35 HB3 ALA 35 172.777 11.079 1.655 551 H VAL 36 HN VAL 36 171.986 8.870 4.453 552 HA VAL 36 HA VAL 36 170.987 6.729 2.697 553 HB VAL 36 HB VAL 36 170.585 7.014 5.678 554 HG11 VAL 36 HG11 VAL 36 168.807 5.762 4.602 555 HG12 VAL 36 HG12 VAL 36 169.830 4.677 5.543 556 HG13 VAL 36 HG13 VAL 36 169.992 4.740 3.787 557 HG21 VAL 36 HG21 VAL 36 172.206 5.184 5.888 558 HG22 VAL 36 HG22 VAL 36 172.931 6.625 5.173 559 HG23 VAL 36 HG23 VAL 36 172.500 5.253 4.151 560 H PHE 37 HN PHE 37 168.717 6.403 2.518 561 HA PHE 37 HA PHE 37 166.768 8.071 3.658 562 HB2 PHE 37 HB2 PHE 37 166.174 9.450 1.696 563 HB3 PHE 37 HB1 PHE 37 167.775 9.839 2.319 564 HD1 PHE 37 HD1 PHE 37 169.781 9.185 1.081 565 HD2 PHE 37 HD2 PHE 37 165.880 8.501 -0.475 566 HE1 PHE 37 HE1 PHE 37 170.741 8.829 -1.156 567 HE2 PHE 37 HE2 PHE 37 166.832 8.143 -2.715 568 HZ PHE 37 HZ PHE 37 169.266 8.307 -3.058 569 H HIS 38 HN HIS 38 164.671 7.489 3.053 570 HA HIS 38 HA HIS 38 164.353 4.872 2.072 571 HB2 HIS 38 HB2 HIS 38 162.760 5.926 3.622 572 HB3 HIS 38 HB1 HIS 38 162.279 7.057 2.361 573 HD1 HIS 38 HD1 HIS 38 160.550 6.274 0.694 574 HD2 HIS 38 HD2 HIS 38 161.907 3.227 3.172 575 HE1 HIS 38 HE1 HIS 38 159.024 4.323 0.257 576 HE2 HIS 38 HE2 HIS 38 159.864 2.489 1.768 577 H THR 39 HN THR 39 163.478 4.091 0.142 578 HA THR 39 HA THR 39 163.152 5.988 -2.063 579 HB THR 39 HB THR 39 164.520 4.601 -3.569 580 HG1 THR 39 HG1 THR 39 165.239 3.215 -1.180 581 HG21 THR 39 HG21 THR 39 166.721 5.242 -2.695 582 HG22 THR 39 HG22 THR 39 166.005 5.536 -1.111 583 HG23 THR 39 HG23 THR 39 165.545 6.539 -2.487 584 H THR 40 HN THR 40 161.717 5.348 -3.633 585 HA THR 40 HA THR 40 160.063 3.042 -2.953 586 HB THR 40 HB THR 40 158.458 3.949 -4.587 587 HG1 THR 40 HG1 THR 40 160.046 4.960 -5.965 588 HG21 THR 40 HG21 THR 40 157.881 6.003 -3.375 589 HG22 THR 40 HG22 THR 40 159.478 6.010 -2.629 590 HG23 THR 40 HG23 THR 40 158.343 4.711 -2.267 591 H1 ALA 1 HT1 ALA 1 175.517 2.834 -16.537 592 H2 ALA 1 HT2 ALA 1 175.306 4.233 -15.611 593 H3 ALA 1 HT3 ALA 1 174.241 3.890 -16.880 594 HA ALA 1 HA ALA 1 173.222 3.410 -14.756 595 HB1 ALA 1 HB1 ALA 1 173.857 0.929 -16.349 596 HB2 ALA 1 HB2 ALA 1 172.591 2.099 -16.725 597 HB3 ALA 1 HB3 ALA 1 172.495 1.140 -15.248 598 HA PRO 2 HA PRO 2 175.575 2.001 -11.315 599 HB2 PRO 2 HB2 PRO 2 173.297 0.179 -10.717 600 HB3 PRO 2 HB1 PRO 2 174.066 1.396 -9.688 601 HG2 PRO 2 HG2 PRO 2 171.684 1.857 -10.765 602 HG3 PRO 2 HG1 PRO 2 172.893 3.148 -10.624 603 HD2 PRO 2 HD2 PRO 2 172.051 1.609 -13.031 604 HD3 PRO 2 HD1 PRO 2 172.535 3.311 -12.886 605 H VAL 3 HN VAL 3 176.776 0.223 -10.559 606 HA VAL 3 HA VAL 3 176.468 -2.312 -11.991 607 HB VAL 3 HB VAL 3 178.889 -2.450 -12.418 608 HG11 VAL 3 HG11 VAL 3 177.406 -1.692 -14.192 609 HG12 VAL 3 HG12 VAL 3 178.965 -0.873 -14.292 610 HG13 VAL 3 HG13 VAL 3 177.566 -0.027 -13.632 611 HG21 VAL 3 HG21 VAL 3 180.277 -0.433 -12.251 612 HG22 VAL 3 HG22 VAL 3 179.675 -0.944 -10.675 613 HG23 VAL 3 HG23 VAL 3 178.932 0.424 -11.502 614 HA PRO 4 HA PRO 4 177.281 -3.889 -7.926 615 HB2 PRO 4 HB2 PRO 4 177.700 -6.483 -8.521 616 HB3 PRO 4 HB1 PRO 4 176.098 -5.741 -8.640 617 HG2 PRO 4 HG2 PRO 4 178.059 -6.331 -10.810 618 HG3 PRO 4 HG1 PRO 4 176.297 -6.545 -10.797 619 HD2 PRO 4 HD2 PRO 4 177.536 -4.424 -11.979 620 HD3 PRO 4 HD1 PRO 4 175.891 -4.357 -11.316 621 H VAL 5 HN VAL 5 178.979 -4.566 -6.598 622 HA VAL 5 HA VAL 5 181.630 -4.238 -7.766 623 HB VAL 5 HB VAL 5 180.865 -4.516 -4.856 624 HG11 VAL 5 HG11 VAL 5 183.082 -3.559 -4.428 625 HG12 VAL 5 HG12 VAL 5 183.416 -3.574 -6.160 626 HG13 VAL 5 HG13 VAL 5 183.187 -5.092 -5.292 627 HG21 VAL 5 HG21 VAL 5 179.828 -2.543 -5.831 628 HG22 VAL 5 HG22 VAL 5 181.384 -2.031 -6.485 629 HG23 VAL 5 HG23 VAL 5 181.135 -2.081 -4.740 630 H THR 6 HN THR 6 183.172 -5.796 -7.848 631 HA THR 6 HA THR 6 182.337 -8.509 -7.063 632 HB THR 6 HB THR 6 183.975 -9.333 -8.707 633 HG1 THR 6 HG1 THR 6 184.321 -6.569 -9.322 634 HG21 THR 6 HG21 THR 6 182.782 -8.639 -10.735 635 HG22 THR 6 HG22 THR 6 182.041 -7.311 -9.843 636 HG23 THR 6 HG23 THR 6 181.663 -8.979 -9.415 637 H LYS 7 HN LYS 7 184.825 -6.089 -6.733 638 HA LYS 7 HA LYS 7 186.047 -7.672 -4.603 639 HB2 LYS 7 HB2 LYS 7 187.330 -8.066 -6.723 640 HB3 LYS 7 HB1 LYS 7 187.692 -6.347 -6.765 641 HG2 LYS 7 HG2 LYS 7 188.926 -6.507 -4.705 642 HG3 LYS 7 HG1 LYS 7 188.466 -8.201 -4.524 643 HD2 LYS 7 HD2 LYS 7 189.662 -8.729 -6.608 644 HD3 LYS 7 HD1 LYS 7 190.151 -7.039 -6.742 645 HE2 LYS 7 HE2 LYS 7 191.934 -8.426 -5.798 646 HE3 LYS 7 HE1 LYS 7 191.378 -7.208 -4.651 647 HZ1 LYS 7 HZ1 LYS 7 191.681 -9.366 -3.598 648 HZ2 LYS 7 HZ2 LYS 7 190.562 -10.064 -4.657 649 HZ3 LYS 7 HZ3 LYS 7 190.056 -8.894 -3.546 650 H LEU 8 HN LEU 8 186.101 -6.442 -2.844 651 HA LEU 8 HA LEU 8 186.548 -3.546 -3.164 652 HB2 LEU 8 HB2 LEU 8 184.168 -4.317 -2.554 653 HB3 LEU 8 HB1 LEU 8 184.840 -4.723 -0.989 654 HG LEU 8 HG LEU 8 183.758 -2.549 -0.917 655 HD11 LEU 8 HD11 LEU 8 186.740 -2.161 -0.808 656 HD12 LEU 8 HD12 LEU 8 185.806 -2.989 0.436 657 HD13 LEU 8 HD13 LEU 8 185.505 -1.286 0.097 658 HD21 LEU 8 HD21 LEU 8 184.012 -1.954 -3.274 659 HD22 LEU 8 HD22 LEU 8 185.744 -1.731 -3.032 660 HD23 LEU 8 HD23 LEU 8 184.597 -0.669 -2.218 661 H VAL 9 HN VAL 9 188.499 -3.108 -2.374 662 HA VAL 9 HA VAL 9 189.325 -4.436 0.128 663 HB VAL 9 HB VAL 9 191.665 -4.060 -0.574 664 HG11 VAL 9 HG11 VAL 9 190.594 -6.210 -0.993 665 HG12 VAL 9 HG12 VAL 9 191.745 -5.817 -2.269 666 HG13 VAL 9 HG13 VAL 9 190.015 -5.626 -2.554 667 HG21 VAL 9 HG21 VAL 9 191.320 -2.156 -2.051 668 HG22 VAL 9 HG22 VAL 9 190.429 -3.177 -3.182 669 HG23 VAL 9 HG23 VAL 9 192.148 -3.459 -2.903 670 H CYS 10 HN CYS 10 190.931 -3.122 1.406 671 HA CYS 10 HA CYS 10 190.425 -0.237 1.175 672 HB2 CYS 10 HB2 CYS 10 188.904 -1.129 2.880 673 HB3 CYS 10 HB1 CYS 10 190.268 -1.849 3.730 674 HG CYS 10 HG CYS 10 189.182 0.548 4.963 675 H ASP 11 HN ASP 11 192.009 1.108 2.231 676 HA ASP 11 HA ASP 11 194.568 -0.254 2.744 677 HB2 ASP 11 HB2 ASP 11 194.157 2.322 1.209 678 HB3 ASP 11 HB1 ASP 11 195.722 1.635 1.639 679 H GLY 12 HN GLY 12 195.257 0.114 4.739 680 HA2 GLY 12 HA2 GLY 12 194.130 2.277 6.304 681 HA3 GLY 12 HA1 GLY 12 195.216 1.023 6.883 682 H ASP 13 HN ASP 13 197.081 1.644 4.593 683 HA ASP 13 HA ASP 13 198.847 3.316 5.954 684 HB2 ASP 13 HB2 ASP 13 198.724 2.727 2.988 685 HB3 ASP 13 HB1 ASP 13 200.106 3.419 3.831 686 H THR 14 HN THR 14 196.329 4.057 3.637 687 HA THR 14 HA THR 14 196.781 6.914 4.151 688 HB THR 14 HB THR 14 196.187 7.422 1.790 689 HG1 THR 14 HG1 THR 14 195.255 5.193 1.506 690 HG21 THR 14 HG21 THR 14 198.622 5.669 2.146 691 HG22 THR 14 HG22 THR 14 198.529 7.397 2.489 692 HG23 THR 14 HG23 THR 14 198.363 6.816 0.831 693 H TYR 15 HN TYR 15 194.764 4.562 4.765 694 HA TYR 15 HA TYR 15 192.536 4.352 5.172 695 HB2 TYR 15 HB2 TYR 15 192.513 7.371 5.001 696 HB3 TYR 15 HB1 TYR 15 191.338 6.351 5.827 697 HD1 TYR 15 HD1 TYR 15 192.414 4.747 7.662 698 HD2 TYR 15 HD2 TYR 15 194.153 8.373 6.276 699 HE1 TYR 15 HE1 TYR 15 193.730 4.901 9.735 700 HE2 TYR 15 HE2 TYR 15 195.476 8.537 8.342 701 HH TYR 15 HH TYR 15 195.380 7.716 10.658 702 H LYS 16 HN LYS 16 193.551 4.600 2.336 703 HA LYS 16 HA LYS 16 191.226 5.689 0.956 704 HB2 LYS 16 HB2 LYS 16 193.786 4.486 -0.113 705 HB3 LYS 16 HB1 LYS 16 192.512 5.183 -1.102 706 HG2 LYS 16 HG2 LYS 16 194.066 6.695 0.985 707 HG3 LYS 16 HG1 LYS 16 194.435 6.693 -0.741 708 HD2 LYS 16 HD2 LYS 16 192.199 7.607 -1.202 709 HD3 LYS 16 HD1 LYS 16 191.866 7.638 0.530 710 HE2 LYS 16 HE2 LYS 16 194.066 9.155 -0.869 711 HE3 LYS 16 HE1 LYS 16 192.540 9.841 -0.310 712 HZ1 LYS 16 HZ1 LYS 16 194.618 8.606 1.417 713 HZ2 LYS 16 HZ2 LYS 16 193.153 9.259 1.956 714 HZ3 LYS 16 HZ3 LYS 16 194.321 10.264 1.259 715 H CYS 17 HN CYS 17 189.537 4.468 0.467 716 HA CYS 17 HA CYS 17 189.811 1.556 0.554 717 HB2 CYS 17 HB2 CYS 17 188.030 2.559 1.911 718 HB3 CYS 17 HB1 CYS 17 187.333 3.292 0.470 719 HG CYS 17 HG CYS 17 187.353 0.321 -0.463 720 H THR 18 HN THR 18 190.354 0.667 -1.331 721 HA THR 18 HA THR 18 189.535 1.866 -3.842 722 HB THR 18 HB THR 18 191.126 -0.665 -3.370 723 HG1 THR 18 HG1 THR 18 192.893 0.819 -3.974 724 HG21 THR 18 HG21 THR 18 190.127 -0.579 -5.592 725 HG22 THR 18 HG22 THR 18 191.871 -0.331 -5.692 726 HG23 THR 18 HG23 THR 18 190.775 1.043 -5.837 727 H ALA 19 HN ALA 19 188.384 0.729 -5.485 728 HA ALA 19 HA ALA 19 186.918 -1.662 -4.688 729 HB1 ALA 19 HB1 ALA 19 184.750 -0.725 -5.191 730 HB2 ALA 19 HB2 ALA 19 185.483 0.824 -5.611 731 HB3 ALA 19 HB3 ALA 19 185.536 0.246 -3.946 732 H TYR 20 HN TYR 20 186.357 -2.967 -6.376 733 HA TYR 20 HA TYR 20 187.230 -2.074 -9.038 734 HB2 TYR 20 HB2 TYR 20 186.975 -4.863 -7.897 735 HB3 TYR 20 HB1 TYR 20 187.417 -4.504 -9.563 736 HD1 TYR 20 HD1 TYR 20 188.535 -4.451 -6.075 737 HD2 TYR 20 HD2 TYR 20 189.610 -3.617 -10.105 738 HE1 TYR 20 HE1 TYR 20 190.896 -4.292 -5.406 739 HE2 TYR 20 HE2 TYR 20 191.974 -3.456 -9.448 740 HH TYR 20 HH TYR 20 193.296 -3.002 -7.425 741 H LEU 21 HN LEU 21 185.638 -1.515 -10.354 742 HA LEU 21 HA LEU 21 182.925 -2.346 -9.894 743 HB2 LEU 21 HB2 LEU 21 184.127 -0.774 -12.174 744 HB3 LEU 21 HB1 LEU 21 182.412 -0.975 -11.872 745 HG LEU 21 HG LEU 21 184.365 0.468 -10.079 746 HD11 LEU 21 HD11 LEU 21 182.129 1.496 -11.821 747 HD12 LEU 21 HD12 LEU 21 183.856 1.695 -12.122 748 HD13 LEU 21 HD13 LEU 21 183.111 2.465 -10.721 749 HD21 LEU 21 HD21 LEU 21 182.618 -0.641 -8.791 750 HD22 LEU 21 HD22 LEU 21 181.384 0.090 -9.818 751 HD23 LEU 21 HD23 LEU 21 182.390 1.108 -8.787 752 H ASP 22 HN ASP 22 181.579 -3.373 -11.511 753 HA ASP 22 HA ASP 22 183.027 -5.507 -12.891 754 HB2 ASP 22 HB2 ASP 22 181.191 -6.116 -11.341 755 HB3 ASP 22 HB1 ASP 22 180.062 -5.220 -12.354 756 H TYR 23 HN TYR 23 182.605 -2.617 -13.820 757 HA TYR 23 HA TYR 23 181.018 -2.965 -16.223 758 HB2 TYR 23 HB2 TYR 23 180.887 -0.841 -15.019 759 HB3 TYR 23 HB1 TYR 23 182.619 -0.601 -15.220 760 HD1 TYR 23 HD1 TYR 23 183.527 0.196 -17.292 761 HD2 TYR 23 HD2 TYR 23 179.371 -0.646 -16.952 762 HE1 TYR 23 HE1 TYR 23 183.123 1.367 -19.416 763 HE2 TYR 23 HE2 TYR 23 178.955 0.522 -19.076 764 HH TYR 23 HH TYR 23 180.021 2.245 -20.470 765 H GLY 24 HN GLY 24 181.810 -2.884 -18.330 766 HA2 GLY 24 HA2 GLY 24 183.320 -3.175 -20.037 767 HA3 GLY 24 HA1 GLY 24 184.543 -2.494 -18.976 768 H ASP 25 HN ASP 25 185.992 -3.819 -17.999 769 HA ASP 25 HA ASP 25 185.539 -6.704 -18.053 770 HB2 ASP 25 HB2 ASP 25 186.713 -6.141 -20.162 771 HB3 ASP 25 HB1 ASP 25 188.017 -5.421 -19.224 772 H GLY 26 HN GLY 26 185.923 -4.369 -16.083 773 HA2 GLY 26 HA2 GLY 26 186.594 -4.518 -13.844 774 HA3 GLY 26 HA1 GLY 26 187.620 -5.881 -14.265 775 H LYS 27 HN LYS 27 187.589 -2.733 -15.854 776 HA LYS 27 HA LYS 27 190.404 -2.412 -15.090 777 HB2 LYS 27 HB2 LYS 27 188.807 -1.108 -17.302 778 HB3 LYS 27 HB1 LYS 27 190.502 -0.787 -16.965 779 HG2 LYS 27 HG2 LYS 27 189.345 -3.443 -17.784 780 HG3 LYS 27 HG1 LYS 27 190.236 -2.333 -18.827 781 HD2 LYS 27 HD2 LYS 27 192.207 -2.573 -17.391 782 HD3 LYS 27 HD1 LYS 27 191.314 -3.687 -16.353 783 HE2 LYS 27 HE2 LYS 27 191.953 -4.111 -19.272 784 HE3 LYS 27 HE1 LYS 27 192.772 -4.882 -17.913 785 HZ1 LYS 27 HZ1 LYS 27 191.113 -6.339 -18.890 786 HZ2 LYS 27 HZ2 LYS 27 189.900 -5.195 -18.604 787 HZ3 LYS 27 HZ3 LYS 27 190.685 -5.936 -17.303 788 H TRP 28 HN TRP 28 187.262 -0.904 -14.895 789 HA TRP 28 HA TRP 28 188.280 1.588 -13.858 790 HB2 TRP 28 HB2 TRP 28 185.453 0.513 -13.965 791 HB3 TRP 28 HB1 TRP 28 185.902 2.160 -13.534 792 HD1 TRP 28 HD1 TRP 28 185.614 -0.176 -16.545 793 HE1 TRP 28 HE1 TRP 28 185.716 1.233 -18.696 794 HE3 TRP 28 HE3 TRP 28 186.817 4.349 -14.494 795 HZ2 TRP 28 HZ2 TRP 28 186.239 3.909 -19.426 796 HZ3 TRP 28 HZ3 TRP 28 187.101 6.284 -15.988 797 HH2 TRP 28 HH2 TRP 28 186.817 6.066 -18.404 798 H VAL 29 HN VAL 29 188.330 2.261 -11.757 799 HA VAL 29 HA VAL 29 187.301 0.481 -9.678 800 HB VAL 29 HB VAL 29 189.397 0.614 -8.394 801 HG11 VAL 29 HG11 VAL 29 188.967 -1.349 -9.766 802 HG12 VAL 29 HG12 VAL 29 190.690 -0.978 -9.741 803 HG13 VAL 29 HG13 VAL 29 189.719 -0.562 -11.154 804 HG21 VAL 29 HG21 VAL 29 191.463 1.350 -9.493 805 HG22 VAL 29 HG22 VAL 29 190.300 2.666 -9.341 806 HG23 VAL 29 HG23 VAL 29 190.527 1.866 -10.896 807 H ALA 30 HN ALA 30 186.579 1.520 -7.886 808 HA ALA 30 HA ALA 30 186.645 4.446 -7.959 809 HB1 ALA 30 HB1 ALA 30 184.758 4.367 -6.439 810 HB2 ALA 30 HB2 ALA 30 184.919 2.617 -6.292 811 HB3 ALA 30 HB3 ALA 30 184.452 3.334 -7.835 812 H GLN 31 HN GLN 31 186.959 5.645 -5.964 813 HA GLN 31 HA GLN 31 188.261 4.271 -3.767 814 HB2 GLN 31 HB2 GLN 31 189.711 6.364 -5.394 815 HB3 GLN 31 HB1 GLN 31 190.280 5.695 -3.870 816 HG2 GLN 31 HG2 GLN 31 190.292 3.447 -4.949 817 HG3 GLN 31 HG1 GLN 31 189.922 4.242 -6.478 818 HE21 GLN 31 HE21 GLN 31 191.572 6.573 -5.885 819 HE22 GLN 31 HE22 GLN 31 193.211 6.059 -6.056 820 H TRP 32 HN TRP 32 188.093 5.345 -1.851 821 HA TRP 32 HA TRP 32 187.418 8.151 -1.760 822 HB2 TRP 32 HB2 TRP 32 185.303 7.818 -0.536 823 HB3 TRP 32 HB1 TRP 32 185.216 7.176 -2.174 824 HD1 TRP 32 HD1 TRP 32 185.379 6.023 1.485 825 HE1 TRP 32 HE1 TRP 32 184.566 3.584 1.606 826 HE3 TRP 32 HE3 TRP 32 184.959 5.056 -3.518 827 HZ2 TRP 32 HZ2 TRP 32 183.843 1.522 -0.182 828 HZ3 TRP 32 HZ3 TRP 32 184.199 2.825 -4.229 829 HH2 TRP 32 HH2 TRP 32 183.654 1.096 -2.594 830 H ASP 33 HN ASP 33 188.032 9.078 0.125 831 HA ASP 33 HA ASP 33 189.731 7.685 1.870 832 HB2 ASP 33 HB2 ASP 33 188.321 10.334 2.266 833 HB3 ASP 33 HB1 ASP 33 189.642 9.736 3.267 834 H THR 34 HN THR 34 189.482 7.305 4.160 835 HA THR 34 HA THR 34 186.791 7.186 5.235 836 HB THR 34 HB THR 34 186.879 4.803 5.782 837 HG1 THR 34 HG1 THR 34 188.688 3.738 5.549 838 HG21 THR 34 HG21 THR 34 187.299 5.296 2.831 839 HG22 THR 34 HG22 THR 34 185.776 5.502 3.698 840 HG23 THR 34 HG23 THR 34 186.496 3.899 3.549 841 H ALA 35 HN ALA 35 187.034 5.849 7.474 842 HA ALA 35 HA ALA 35 189.450 6.886 8.806 843 HB1 ALA 35 HB1 ALA 35 186.652 6.848 9.935 844 HB2 ALA 35 HB2 ALA 35 187.508 8.275 9.350 845 HB3 ALA 35 HB3 ALA 35 188.102 7.409 10.767 846 H VAL 36 HN VAL 36 190.644 5.190 9.369 847 HA VAL 36 HA VAL 36 189.292 2.761 10.333 848 HB VAL 36 HB VAL 36 192.131 3.024 9.334 849 HG11 VAL 36 HG11 VAL 36 191.847 1.190 10.896 850 HG12 VAL 36 HG12 VAL 36 192.063 0.566 9.261 851 HG13 VAL 36 HG13 VAL 36 190.456 0.602 9.986 852 HG21 VAL 36 HG21 VAL 36 191.335 1.874 7.317 853 HG22 VAL 36 HG22 VAL 36 190.556 3.441 7.529 854 HG23 VAL 36 HG23 VAL 36 189.683 1.961 7.927 855 H PHE 37 HN PHE 37 190.140 1.667 12.171 856 HA PHE 37 HA PHE 37 192.253 2.613 13.758 857 HB2 PHE 37 HB2 PHE 37 190.981 3.615 15.623 858 HB3 PHE 37 HB1 PHE 37 190.839 4.557 14.143 859 HD1 PHE 37 HD1 PHE 37 188.742 4.577 12.881 860 HD2 PHE 37 HD2 PHE 37 189.089 2.527 16.593 861 HE1 PHE 37 HE1 PHE 37 186.289 4.472 13.047 862 HE2 PHE 37 HE2 PHE 37 186.637 2.417 16.767 863 HZ PHE 37 HZ PHE 37 185.234 3.391 14.992 864 H HIS 38 HN HIS 38 192.615 1.319 15.574 865 HA HIS 38 HA HIS 38 191.569 -1.289 15.459 866 HB2 HIS 38 HB2 HIS 38 193.798 -0.776 16.362 867 HB3 HIS 38 HB1 HIS 38 193.057 0.062 17.721 868 HD1 HIS 38 HD1 HIS 38 192.292 -1.342 19.678 869 HD2 HIS 38 HD2 HIS 38 193.456 -3.622 16.405 870 HE1 HIS 38 HE1 HIS 38 192.366 -3.716 20.505 871 HE2 HIS 38 HE2 HIS 38 193.071 -5.079 18.506 872 H THR 39 HN THR 39 190.179 -2.409 16.841 873 HA THR 39 HA THR 39 188.635 -0.840 18.771 874 HB THR 39 HB THR 39 186.505 -1.739 17.923 875 HG1 THR 39 HG1 THR 39 188.094 -2.684 15.749 876 HG21 THR 39 HG21 THR 39 186.338 -0.342 15.913 877 HG22 THR 39 HG22 THR 39 188.096 -0.241 15.837 878 HG23 THR 39 HG23 THR 39 187.229 0.479 17.193 879 H THR 40 HN THR 40 187.837 -2.003 20.487 880 HA THR 40 HA THR 40 188.905 -4.704 20.773 881 HB THR 40 HB THR 40 188.326 -4.478 23.156 882 HG1 THR 40 HG1 THR 40 186.512 -3.047 22.840 883 HG21 THR 40 HG21 THR 40 189.918 -2.695 23.712 884 HG22 THR 40 HG22 THR 40 189.836 -2.106 22.052 885 HG23 THR 40 HG23 THR 40 190.514 -3.699 22.389 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 170.047 -0.302 15.328 2 H2 ALA 1 HT2 ALA 1 171.428 0.594 15.716 3 H3 ALA 1 HT3 ALA 1 170.669 -0.345 16.901 4 HA ALA 1 HA ALA 1 172.677 -1.414 16.117 5 HB1 ALA 1 HB1 ALA 1 170.799 -2.781 16.888 6 HB2 ALA 1 HB2 ALA 1 171.712 -3.591 15.614 7 HB3 ALA 1 HB3 ALA 1 170.164 -2.833 15.243 8 HA PRO 2 HA PRO 2 173.814 -0.973 11.878 9 HB2 PRO 2 HB2 PRO 2 175.493 -3.087 11.574 10 HB3 PRO 2 HB1 PRO 2 175.930 -1.638 12.492 11 HG2 PRO 2 HG2 PRO 2 174.971 -4.278 13.498 12 HG3 PRO 2 HG1 PRO 2 176.258 -3.233 14.132 13 HD2 PRO 2 HD2 PRO 2 173.794 -3.323 15.238 14 HD3 PRO 2 HD1 PRO 2 174.788 -1.852 15.229 15 H VAL 3 HN VAL 3 173.866 -2.161 9.783 16 HA VAL 3 HA VAL 3 172.160 -4.529 9.684 17 HB VAL 3 HB VAL 3 170.776 -3.567 7.880 18 HG11 VAL 3 HG11 VAL 3 169.385 -2.141 9.312 19 HG12 VAL 3 HG12 VAL 3 170.707 -2.027 10.473 20 HG13 VAL 3 HG13 VAL 3 169.937 -3.584 10.162 21 HG21 VAL 3 HG21 VAL 3 170.755 -1.074 7.646 22 HG22 VAL 3 HG22 VAL 3 172.203 -1.858 7.015 23 HG23 VAL 3 HG23 VAL 3 172.255 -1.034 8.573 24 HA PRO 4 HA PRO 4 175.455 -5.590 6.826 25 HB2 PRO 4 HB2 PRO 4 173.583 -7.770 6.097 26 HB3 PRO 4 HB1 PRO 4 175.260 -7.864 6.651 27 HG2 PRO 4 HG2 PRO 4 173.260 -8.558 8.260 28 HG3 PRO 4 HG1 PRO 4 174.693 -7.714 8.879 29 HD2 PRO 4 HD2 PRO 4 171.967 -6.636 8.318 30 HD3 PRO 4 HD1 PRO 4 173.085 -6.254 9.645 31 H VAL 5 HN VAL 5 175.792 -5.534 4.595 32 HA VAL 5 HA VAL 5 173.662 -4.244 3.087 33 HB VAL 5 HB VAL 5 176.523 -4.776 2.271 34 HG11 VAL 5 HG11 VAL 5 174.437 -2.955 1.074 35 HG12 VAL 5 HG12 VAL 5 175.030 -4.459 0.369 36 HG13 VAL 5 HG13 VAL 5 176.117 -3.082 0.554 37 HG21 VAL 5 HG21 VAL 5 176.896 -2.399 2.785 38 HG22 VAL 5 HG22 VAL 5 176.446 -3.329 4.215 39 HG23 VAL 5 HG23 VAL 5 175.256 -2.294 3.425 40 H THR 6 HN THR 6 172.414 -5.273 1.673 41 HA THR 6 HA THR 6 172.970 -8.053 1.031 42 HB THR 6 HB THR 6 170.729 -8.060 0.008 43 HG1 THR 6 HG1 THR 6 170.522 -5.960 -0.726 44 HG21 THR 6 HG21 THR 6 170.801 -6.807 2.756 45 HG22 THR 6 HG22 THR 6 170.935 -8.529 2.396 46 HG23 THR 6 HG23 THR 6 169.431 -7.671 2.057 47 H LYS 7 HN LYS 7 172.862 -4.926 -0.536 48 HA LYS 7 HA LYS 7 174.190 -6.064 -2.866 49 HB2 LYS 7 HB2 LYS 7 171.665 -6.004 -3.255 50 HB3 LYS 7 HB1 LYS 7 171.807 -4.253 -3.234 51 HG2 LYS 7 HG2 LYS 7 173.278 -4.305 -5.144 52 HG3 LYS 7 HG1 LYS 7 173.281 -6.069 -5.128 53 HD2 LYS 7 HD2 LYS 7 170.820 -6.016 -5.500 54 HD3 LYS 7 HD1 LYS 7 170.927 -4.263 -5.669 55 HE2 LYS 7 HE2 LYS 7 170.904 -5.338 -7.851 56 HE3 LYS 7 HE1 LYS 7 172.449 -4.541 -7.566 57 HZ1 LYS 7 HZ1 LYS 7 172.716 -6.745 -8.546 58 HZ2 LYS 7 HZ2 LYS 7 171.938 -7.446 -7.217 59 HZ3 LYS 7 HZ3 LYS 7 173.424 -6.665 -7.011 60 H LEU 8 HN LEU 8 175.689 -4.703 -3.730 61 HA LEU 8 HA LEU 8 175.666 -1.900 -2.843 62 HB2 LEU 8 HB2 LEU 8 177.240 -3.490 -1.545 63 HB3 LEU 8 HB1 LEU 8 178.212 -3.480 -3.003 64 HG LEU 8 HG LEU 8 179.085 -1.885 -1.402 65 HD11 LEU 8 HD11 LEU 8 179.212 0.053 -2.798 66 HD12 LEU 8 HD12 LEU 8 177.728 -0.394 -3.637 67 HD13 LEU 8 HD13 LEU 8 179.179 -1.375 -3.834 68 HD21 LEU 8 HD21 LEU 8 177.004 -1.459 -0.183 69 HD22 LEU 8 HD22 LEU 8 176.387 -0.548 -1.561 70 HD23 LEU 8 HD23 LEU 8 177.793 0.040 -0.673 71 H VAL 9 HN VAL 9 175.429 -0.753 -4.648 72 HA VAL 9 HA VAL 9 176.921 -1.579 -7.049 73 HB VAL 9 HB VAL 9 175.312 -0.236 -8.345 74 HG11 VAL 9 HG11 VAL 9 174.030 -2.288 -6.547 75 HG12 VAL 9 HG12 VAL 9 174.910 -2.616 -8.040 76 HG13 VAL 9 HG13 VAL 9 173.387 -1.727 -8.091 77 HG21 VAL 9 HG21 VAL 9 173.267 0.593 -7.268 78 HG22 VAL 9 HG22 VAL 9 174.708 1.394 -6.643 79 HG23 VAL 9 HG23 VAL 9 173.918 0.134 -5.695 80 H CYS 10 HN CYS 10 177.403 0.382 -8.525 81 HA CYS 10 HA CYS 10 178.073 2.798 -7.045 82 HB2 CYS 10 HB2 CYS 10 180.042 1.364 -6.737 83 HB3 CYS 10 HB1 CYS 10 180.168 1.153 -8.480 84 HG CYS 10 HG CYS 10 181.877 3.170 -6.874 85 H ASP 11 HN ASP 11 177.860 4.578 -8.263 86 HA ASP 11 HA ASP 11 177.299 4.204 -11.114 87 HB2 ASP 11 HB2 ASP 11 176.738 6.564 -9.304 88 HB3 ASP 11 HB1 ASP 11 176.272 6.446 -10.998 89 H GLY 12 HN GLY 12 178.990 4.474 -12.413 90 HA2 GLY 12 HA2 GLY 12 181.280 6.030 -11.645 91 HA3 GLY 12 HA1 GLY 12 181.045 5.206 -13.179 92 H ASP 13 HN ASP 13 178.413 6.617 -13.517 93 HA ASP 13 HA ASP 13 179.282 8.716 -15.137 94 HB2 ASP 13 HB2 ASP 13 176.562 8.315 -13.873 95 HB3 ASP 13 HB1 ASP 13 176.910 9.402 -15.215 96 H THR 14 HN THR 14 177.580 8.962 -12.008 97 HA THR 14 HA THR 14 178.528 11.718 -11.754 98 HB THR 14 HB THR 14 176.961 11.893 -9.864 99 HG1 THR 14 HG1 THR 14 177.001 9.695 -9.197 100 HG21 THR 14 HG21 THR 14 174.878 11.690 -11.149 101 HG22 THR 14 HG22 THR 14 175.725 10.730 -12.363 102 HG23 THR 14 HG23 THR 14 176.162 12.420 -12.111 103 H TYR 15 HN TYR 15 179.813 8.841 -11.059 104 HA TYR 15 HA TYR 15 181.384 8.075 -9.607 105 HB2 TYR 15 HB2 TYR 15 181.668 10.984 -8.829 106 HB3 TYR 15 HB1 TYR 15 182.853 9.708 -8.565 107 HD1 TYR 15 HD1 TYR 15 183.520 8.418 -10.823 108 HD2 TYR 15 HD2 TYR 15 182.022 12.393 -10.614 109 HE1 TYR 15 HE1 TYR 15 184.542 8.911 -13.004 110 HE2 TYR 15 HE2 TYR 15 183.039 12.897 -12.796 111 HH TYR 15 HH TYR 15 184.241 10.494 -14.863 112 H LYS 16 HN LYS 16 178.536 8.508 -8.731 113 HA LYS 16 HA LYS 16 178.937 8.761 -5.833 114 HB2 LYS 16 HB2 LYS 16 176.389 8.808 -7.459 115 HB3 LYS 16 HB1 LYS 16 176.479 8.989 -5.712 116 HG2 LYS 16 HG2 LYS 16 177.762 11.041 -5.978 117 HG3 LYS 16 HG1 LYS 16 177.711 10.853 -7.731 118 HD2 LYS 16 HD2 LYS 16 176.027 12.447 -6.983 119 HD3 LYS 16 HD1 LYS 16 175.266 11.012 -7.674 120 HE2 LYS 16 HE2 LYS 16 174.878 10.131 -5.429 121 HE3 LYS 16 HE1 LYS 16 175.657 11.551 -4.731 122 HZ1 LYS 16 HZ1 LYS 16 173.253 11.752 -4.687 123 HZ2 LYS 16 HZ2 LYS 16 173.177 11.568 -6.366 124 HZ3 LYS 16 HZ3 LYS 16 173.923 12.931 -5.700 125 H CYS 17 HN CYS 17 178.569 7.100 -4.463 126 HA CYS 17 HA CYS 17 178.037 4.488 -5.677 127 HB2 CYS 17 HB2 CYS 17 179.150 5.214 -2.959 128 HB3 CYS 17 HB1 CYS 17 178.919 3.570 -3.547 129 HG CYS 17 HG CYS 17 181.537 3.754 -3.913 130 H THR 18 HN THR 18 176.505 3.051 -4.812 131 HA THR 18 HA THR 18 174.561 4.208 -2.933 132 HB THR 18 HB THR 18 173.809 2.707 -5.451 133 HG1 THR 18 HG1 THR 18 172.869 4.840 -5.954 134 HG21 THR 18 HG21 THR 18 171.511 3.318 -4.847 135 HG22 THR 18 HG22 THR 18 172.100 4.064 -3.361 136 HG23 THR 18 HG23 THR 18 172.259 2.323 -3.596 137 H ALA 19 HN ALA 19 173.713 2.802 -1.464 138 HA ALA 19 HA ALA 19 174.428 -0.041 -1.737 139 HB1 ALA 19 HB1 ALA 19 175.973 1.100 -0.180 140 HB2 ALA 19 HB2 ALA 19 175.014 -0.158 0.600 141 HB3 ALA 19 HB3 ALA 19 174.592 1.540 0.826 142 H TYR 20 HN TYR 20 173.043 -1.523 -0.658 143 HA TYR 20 HA TYR 20 170.364 -0.426 -0.123 144 HB2 TYR 20 HB2 TYR 20 171.188 -3.158 -1.124 145 HB3 TYR 20 HB1 TYR 20 169.538 -2.715 -0.700 146 HD1 TYR 20 HD1 TYR 20 168.207 -1.343 -2.157 147 HD2 TYR 20 HD2 TYR 20 172.269 -2.183 -3.106 148 HE1 TYR 20 HE1 TYR 20 167.844 -0.496 -4.436 149 HE2 TYR 20 HE2 TYR 20 171.917 -1.337 -5.388 150 HH TYR 20 HH TYR 20 170.054 -0.996 -6.958 151 H LEU 21 HN LEU 21 169.966 -0.291 1.979 152 HA LEU 21 HA LEU 21 171.303 -2.010 3.878 153 HB2 LEU 21 HB2 LEU 21 169.206 0.117 4.314 154 HB3 LEU 21 HB1 LEU 21 170.134 -0.676 5.573 155 HG LEU 21 HG LEU 21 171.226 1.158 3.439 156 HD11 LEU 21 HD11 LEU 21 170.007 2.327 5.187 157 HD12 LEU 21 HD12 LEU 21 171.739 2.627 5.327 158 HD13 LEU 21 HD13 LEU 21 170.950 1.492 6.422 159 HD21 LEU 21 HD21 LEU 21 172.809 -0.623 3.957 160 HD22 LEU 21 HD22 LEU 21 172.652 -0.273 5.678 161 HD23 LEU 21 HD23 LEU 21 173.365 0.923 4.597 162 H ASP 22 HN ASP 22 170.276 -3.399 5.355 163 HA ASP 22 HA ASP 22 167.725 -4.484 4.374 164 HB2 ASP 22 HB2 ASP 22 169.673 -6.027 4.389 165 HB3 ASP 22 HB1 ASP 22 169.804 -5.808 6.131 166 H TYR 23 HN TYR 23 167.943 -2.151 6.096 167 HA TYR 23 HA TYR 23 167.524 -2.660 8.794 168 HB2 TYR 23 HB2 TYR 23 167.868 -0.408 7.853 169 HB3 TYR 23 HB1 TYR 23 166.272 -0.477 7.114 170 HD1 TYR 23 HD1 TYR 23 168.135 0.021 10.205 171 HD2 TYR 23 HD2 TYR 23 164.252 -0.340 8.505 172 HE1 TYR 23 HE1 TYR 23 167.157 0.967 12.253 173 HE2 TYR 23 HE2 TYR 23 163.263 0.604 10.549 174 HH TYR 23 HH TYR 23 163.835 0.852 12.928 175 H GLY 24 HN GLY 24 164.888 -1.783 6.556 176 HA2 GLY 24 HA2 GLY 24 163.050 -3.336 8.230 177 HA3 GLY 24 HA1 GLY 24 162.591 -2.135 7.032 178 H ASP 25 HN ASP 25 162.526 -2.712 4.837 179 HA ASP 25 HA ASP 25 162.405 -5.617 4.388 180 HB2 ASP 25 HB2 ASP 25 160.833 -5.134 2.572 181 HB3 ASP 25 HB1 ASP 25 160.262 -4.446 4.088 182 H GLY 26 HN GLY 26 163.814 -2.624 3.318 183 HA2 GLY 26 HA2 GLY 26 166.083 -3.108 2.279 184 HA3 GLY 26 HA1 GLY 26 165.164 -4.048 1.116 185 H LYS 27 HN LYS 27 164.462 -0.876 2.546 186 HA LYS 27 HA LYS 27 164.389 0.224 -0.184 187 HB2 LYS 27 HB2 LYS 27 162.920 1.139 2.295 188 HB3 LYS 27 HB1 LYS 27 162.845 1.932 0.728 189 HG2 LYS 27 HG2 LYS 27 161.862 -0.083 -0.246 190 HG3 LYS 27 HG1 LYS 27 161.928 -0.871 1.332 191 HD2 LYS 27 HD2 LYS 27 160.433 0.832 2.248 192 HD3 LYS 27 HD1 LYS 27 160.379 1.635 0.678 193 HE2 LYS 27 HE2 LYS 27 159.424 -1.164 1.272 194 HE3 LYS 27 HE1 LYS 27 158.397 0.250 1.043 195 HZ1 LYS 27 HZ1 LYS 27 159.230 0.438 -1.221 196 HZ2 LYS 27 HZ2 LYS 27 158.523 -1.078 -0.966 197 HZ3 LYS 27 HZ3 LYS 27 160.208 -0.926 -0.998 198 H TRP 28 HN TRP 28 165.480 0.780 3.116 199 HA TRP 28 HA TRP 28 166.542 3.350 2.781 200 HB2 TRP 28 HB2 TRP 28 167.490 1.136 4.613 201 HB3 TRP 28 HB1 TRP 28 167.916 2.838 4.764 202 HD1 TRP 28 HD1 TRP 28 164.942 0.451 5.212 203 HE1 TRP 28 HE1 TRP 28 163.199 1.595 6.721 204 HE3 TRP 28 HE3 TRP 28 167.078 5.083 5.552 205 HZ2 TRP 28 HZ2 TRP 28 162.786 4.127 7.899 206 HZ3 TRP 28 HZ3 TRP 28 165.945 6.810 6.889 207 HH2 TRP 28 HH2 TRP 28 163.842 6.340 8.038 208 H VAL 29 HN VAL 29 168.175 4.052 1.579 209 HA VAL 29 HA VAL 29 170.376 2.198 0.964 210 HB VAL 29 HB VAL 29 170.539 3.154 -1.298 211 HG11 VAL 29 HG11 VAL 29 169.322 1.076 -0.976 212 HG12 VAL 29 HG12 VAL 29 168.574 2.036 -2.252 213 HG13 VAL 29 HG13 VAL 29 167.840 1.974 -0.650 214 HG21 VAL 29 HG21 VAL 29 167.956 4.546 -0.594 215 HG22 VAL 29 HG22 VAL 29 168.689 4.494 -2.197 216 HG23 VAL 29 HG23 VAL 29 169.514 5.321 -0.875 217 H ALA 30 HN ALA 30 172.407 3.043 0.997 218 HA ALA 30 HA ALA 30 172.643 5.805 1.962 219 HB1 ALA 30 HB1 ALA 30 174.656 3.559 2.060 220 HB2 ALA 30 HB2 ALA 30 173.606 4.059 3.386 221 HB3 ALA 30 HB3 ALA 30 174.845 5.159 2.780 222 H GLN 31 HN GLN 31 174.198 7.230 1.075 223 HA GLN 31 HA GLN 31 175.425 6.435 -1.456 224 HB2 GLN 31 HB2 GLN 31 173.653 8.862 -1.122 225 HB3 GLN 31 HB1 GLN 31 174.640 8.525 -2.538 226 HG2 GLN 31 HG2 GLN 31 173.366 6.470 -2.927 227 HG3 GLN 31 HG1 GLN 31 172.365 6.836 -1.523 228 HE21 GLN 31 HE21 GLN 31 171.610 6.508 -4.319 229 HE22 GLN 31 HE22 GLN 31 170.830 7.978 -4.781 230 H TRP 32 HN TRP 32 177.365 7.371 -1.860 231 HA TRP 32 HA TRP 32 178.199 9.736 -0.410 232 HB2 TRP 32 HB2 TRP 32 180.145 8.720 0.619 233 HB3 TRP 32 HB1 TRP 32 178.698 7.872 1.153 234 HD1 TRP 32 HD1 TRP 32 182.046 7.255 -0.283 235 HE1 TRP 32 HE1 TRP 32 182.282 4.795 -1.001 236 HE3 TRP 32 HE3 TRP 32 177.135 5.855 -0.021 237 HZ2 TRP 32 HZ2 TRP 32 180.609 2.559 -1.406 238 HZ3 TRP 32 HZ3 TRP 32 176.539 3.538 -0.592 239 HH2 TRP 32 HH2 TRP 32 178.240 1.925 -1.270 240 H ASP 33 HN ASP 33 179.377 10.971 -1.715 241 HA ASP 33 HA ASP 33 179.988 10.278 -4.346 242 HB2 ASP 33 HB2 ASP 33 181.225 12.450 -2.641 243 HB3 ASP 33 HB1 ASP 33 181.327 12.352 -4.396 244 H THR 34 HN THR 34 181.987 9.924 -5.407 245 HA THR 34 HA THR 34 184.324 9.275 -3.815 246 HB THR 34 HB THR 34 184.569 7.008 -4.689 247 HG1 THR 34 HG1 THR 34 183.309 6.293 -6.236 248 HG21 THR 34 HG21 THR 34 183.419 7.326 -2.538 249 HG22 THR 34 HG22 THR 34 182.816 5.911 -3.401 250 HG23 THR 34 HG23 THR 34 181.873 7.401 -3.385 251 H ALA 35 HN ALA 35 185.981 8.157 -5.506 252 HA ALA 35 HA ALA 35 185.912 9.821 -7.938 253 HB1 ALA 35 HB1 ALA 35 188.336 9.096 -6.298 254 HB2 ALA 35 HB2 ALA 35 187.554 10.675 -6.345 255 HB3 ALA 35 HB3 ALA 35 188.339 10.036 -7.789 256 H VAL 36 HN VAL 36 185.746 8.620 -9.703 257 HA VAL 36 HA VAL 36 186.913 5.915 -9.689 258 HB VAL 36 HB VAL 36 184.688 6.931 -11.463 259 HG11 VAL 36 HG11 VAL 36 184.368 4.560 -12.000 260 HG12 VAL 36 HG12 VAL 36 185.759 4.150 -10.997 261 HG13 VAL 36 HG13 VAL 36 185.978 5.120 -12.452 262 HG21 VAL 36 HG21 VAL 36 184.534 5.202 -8.996 263 HG22 VAL 36 HG22 VAL 36 183.191 5.569 -10.078 264 HG23 VAL 36 HG23 VAL 36 183.950 6.859 -9.144 265 H PHE 37 HN PHE 37 188.285 5.303 -11.299 266 HA PHE 37 HA PHE 37 188.691 7.028 -13.602 267 HB2 PHE 37 HB2 PHE 37 191.140 7.167 -13.202 268 HB3 PHE 37 HB1 PHE 37 190.197 8.031 -11.993 269 HD1 PHE 37 HD1 PHE 37 190.060 7.226 -9.711 270 HD2 PHE 37 HD2 PHE 37 192.380 5.180 -12.634 271 HE1 PHE 37 HE1 PHE 37 191.196 5.972 -7.925 272 HE2 PHE 37 HE2 PHE 37 193.520 3.922 -10.854 273 HZ PHE 37 HZ PHE 37 192.928 4.316 -8.495 274 H HIS 38 HN HIS 38 189.790 6.020 -15.320 275 HA HIS 38 HA HIS 38 189.529 3.154 -15.337 276 HB2 HIS 38 HB2 HIS 38 188.892 4.493 -17.298 277 HB3 HIS 38 HB1 HIS 38 190.557 5.040 -17.468 278 HD1 HIS 38 HD1 HIS 38 192.149 3.535 -18.718 279 HD2 HIS 38 HD2 HIS 38 188.499 1.716 -17.923 280 HE1 HIS 38 HE1 HIS 38 192.167 1.390 -20.030 281 HE2 HIS 38 HE2 HIS 38 189.948 0.305 -19.534 282 H THR 39 HN THR 39 191.056 1.786 -14.722 283 HA THR 39 HA THR 39 193.730 2.657 -14.175 284 HB THR 39 HB THR 39 194.155 0.321 -13.528 285 HG1 THR 39 HG1 THR 39 192.315 -1.135 -13.641 286 HG21 THR 39 HG21 THR 39 193.128 1.831 -11.901 287 HG22 THR 39 HG22 THR 39 192.529 0.185 -11.695 288 HG23 THR 39 HG23 THR 39 191.526 1.395 -12.496 289 H THR 40 HN THR 40 195.634 2.060 -15.197 290 HA THR 40 HA THR 40 195.434 0.582 -17.717 291 HB THR 40 HB THR 40 196.814 2.246 -18.897 292 HG1 THR 40 HG1 THR 40 196.431 3.767 -16.516 293 HG21 THR 40 HG21 THR 40 194.274 3.392 -17.730 294 HG22 THR 40 HG22 THR 40 194.384 2.338 -19.140 295 HG23 THR 40 HG23 THR 40 195.080 3.958 -19.194 296 H1 ALA 1 HT1 ALA 1 199.848 -3.946 2.738 297 H2 ALA 1 HT2 ALA 1 199.690 -2.578 1.755 298 H3 ALA 1 HT3 ALA 1 200.945 -3.677 1.477 299 HA ALA 1 HA ALA 1 199.196 -3.945 -0.151 300 HB1 ALA 1 HB1 ALA 1 200.533 -5.883 0.521 301 HB2 ALA 1 HB2 ALA 1 198.885 -6.346 0.098 302 HB3 ALA 1 HB3 ALA 1 199.366 -6.246 1.792 303 HA PRO 2 HA PRO 2 195.011 -3.306 1.087 304 HB2 PRO 2 HB2 PRO 2 193.685 -4.644 -0.871 305 HB3 PRO 2 HB1 PRO 2 194.497 -3.096 -1.146 306 HG2 PRO 2 HG2 PRO 2 195.449 -5.853 -1.779 307 HG3 PRO 2 HG1 PRO 2 195.570 -4.371 -2.748 308 HD2 PRO 2 HD2 PRO 2 197.647 -5.332 -1.311 309 HD3 PRO 2 HD1 PRO 2 197.396 -3.596 -1.591 310 H VAL 3 HN VAL 3 192.974 -4.483 1.615 311 HA VAL 3 HA VAL 3 193.330 -7.322 2.205 312 HB VAL 3 HB VAL 3 192.503 -7.036 4.514 313 HG11 VAL 3 HG11 VAL 3 194.593 -6.173 5.465 314 HG12 VAL 3 HG12 VAL 3 195.033 -5.518 3.888 315 HG13 VAL 3 HG13 VAL 3 194.890 -7.262 4.109 316 HG21 VAL 3 HG21 VAL 3 192.655 -4.749 5.520 317 HG22 VAL 3 HG22 VAL 3 191.335 -4.958 4.372 318 HG23 VAL 3 HG23 VAL 3 192.799 -4.104 3.885 319 HA PRO 4 HA PRO 4 189.172 -7.195 0.518 320 HB2 PRO 4 HB2 PRO 4 189.071 -9.950 1.606 321 HB3 PRO 4 HB1 PRO 4 188.787 -9.379 -0.044 322 HG2 PRO 4 HG2 PRO 4 191.012 -10.701 0.569 323 HG3 PRO 4 HG1 PRO 4 191.026 -9.351 -0.585 324 HD2 PRO 4 HD2 PRO 4 191.919 -9.406 2.263 325 HD3 PRO 4 HD1 PRO 4 192.633 -8.571 0.867 326 H VAL 5 HN VAL 5 187.062 -7.119 1.319 327 HA VAL 5 HA VAL 5 186.880 -6.798 4.207 328 HB VAL 5 HB VAL 5 184.791 -6.251 2.092 329 HG11 VAL 5 HG11 VAL 5 184.938 -5.408 4.985 330 HG12 VAL 5 HG12 VAL 5 183.837 -6.608 4.308 331 HG13 VAL 5 HG13 VAL 5 183.700 -4.916 3.829 332 HG21 VAL 5 HG21 VAL 5 185.408 -3.887 2.388 333 HG22 VAL 5 HG22 VAL 5 186.741 -4.850 1.747 334 HG23 VAL 5 HG23 VAL 5 186.730 -4.379 3.447 335 H THR 6 HN THR 6 186.058 -8.285 5.520 336 HA THR 6 HA THR 6 184.850 -10.678 4.393 337 HB THR 6 HB THR 6 184.964 -11.576 6.684 338 HG1 THR 6 HG1 THR 6 184.707 -9.746 7.938 339 HG21 THR 6 HG21 THR 6 187.526 -10.263 5.770 340 HG22 THR 6 HG22 THR 6 186.907 -11.822 5.226 341 HG23 THR 6 HG23 THR 6 187.410 -11.610 6.903 342 H LYS 7 HN LYS 7 183.958 -7.898 6.324 343 HA LYS 7 HA LYS 7 181.146 -8.559 5.948 344 HB2 LYS 7 HB2 LYS 7 181.956 -9.474 8.192 345 HB3 LYS 7 HB1 LYS 7 182.156 -7.799 8.686 346 HG2 LYS 7 HG2 LYS 7 179.800 -7.382 8.380 347 HG3 LYS 7 HG1 LYS 7 179.566 -9.013 7.747 348 HD2 LYS 7 HD2 LYS 7 180.360 -9.907 9.930 349 HD3 LYS 7 HD1 LYS 7 180.409 -8.254 10.542 350 HE2 LYS 7 HE2 LYS 7 178.348 -9.358 11.212 351 HE3 LYS 7 HE1 LYS 7 178.011 -8.024 10.111 352 HZ1 LYS 7 HZ1 LYS 7 176.718 -10.010 9.580 353 HZ2 LYS 7 HZ2 LYS 7 178.142 -10.887 9.334 354 HZ3 LYS 7 HZ3 LYS 7 177.759 -9.597 8.312 355 H LEU 8 HN LEU 8 179.897 -6.776 5.625 356 HA LEU 8 HA LEU 8 181.083 -4.150 6.213 357 HB2 LEU 8 HB2 LEU 8 181.287 -4.968 3.768 358 HB3 LEU 8 HB1 LEU 8 179.564 -4.660 3.674 359 HG LEU 8 HG LEU 8 180.803 -2.782 2.775 360 HD11 LEU 8 HD11 LEU 8 179.788 -1.006 4.016 361 HD12 LEU 8 HD12 LEU 8 179.659 -2.017 5.453 362 HD13 LEU 8 HD13 LEU 8 178.692 -2.387 4.027 363 HD21 LEU 8 HD21 LEU 8 182.879 -3.115 4.032 364 HD22 LEU 8 HD22 LEU 8 182.072 -2.568 5.502 365 HD23 LEU 8 HD23 LEU 8 182.300 -1.454 4.154 366 H VAL 9 HN VAL 9 179.761 -3.260 7.660 367 HA VAL 9 HA VAL 9 176.855 -3.576 7.298 368 HB VAL 9 HB VAL 9 176.631 -2.999 9.683 369 HG11 VAL 9 HG11 VAL 9 178.507 -5.298 9.148 370 HG12 VAL 9 HG12 VAL 9 176.748 -5.339 9.025 371 HG13 VAL 9 HG13 VAL 9 177.518 -5.093 10.593 372 HG21 VAL 9 HG21 VAL 9 178.621 -2.953 11.120 373 HG22 VAL 9 HG22 VAL 9 178.631 -1.640 9.943 374 HG23 VAL 9 HG23 VAL 9 179.648 -3.059 9.689 375 H CYS 10 HN CYS 10 175.613 -1.648 8.296 376 HA CYS 10 HA CYS 10 176.950 0.908 7.908 377 HB2 CYS 10 HB2 CYS 10 176.128 0.337 5.667 378 HB3 CYS 10 HB1 CYS 10 174.506 0.109 6.312 379 HG CYS 10 HG CYS 10 175.429 2.694 4.884 380 H ASP 11 HN ASP 11 176.225 2.418 9.284 381 HA ASP 11 HA ASP 11 173.916 1.728 10.951 382 HB2 ASP 11 HB2 ASP 11 176.095 3.784 11.383 383 HB3 ASP 11 HB1 ASP 11 174.797 3.421 12.518 384 H GLY 12 HN GLY 12 172.044 2.554 10.293 385 HA2 GLY 12 HA2 GLY 12 171.901 4.892 8.629 386 HA3 GLY 12 HA1 GLY 12 170.542 3.970 9.253 387 H ASP 13 HN ASP 13 171.634 4.268 12.037 388 HA ASP 13 HA ASP 13 170.109 6.463 12.839 389 HB2 ASP 13 HB2 ASP 13 172.398 5.126 14.298 390 HB3 ASP 13 HB1 ASP 13 171.212 6.200 15.034 391 H THR 14 HN THR 14 173.670 6.195 12.823 392 HA THR 14 HA THR 14 173.851 9.114 12.910 393 HB THR 14 HB THR 14 176.250 8.772 13.346 394 HG1 THR 14 HG1 THR 14 176.510 6.785 12.223 395 HG21 THR 14 HG21 THR 14 176.032 7.739 15.564 396 HG22 THR 14 HG22 THR 14 174.446 7.115 15.114 397 HG23 THR 14 HG23 THR 14 174.706 8.855 15.237 398 H TYR 15 HN TYR 15 173.476 6.969 10.529 399 HA TYR 15 HA TYR 15 173.935 6.919 8.304 400 HB2 TYR 15 HB2 TYR 15 174.900 9.754 8.732 401 HB3 TYR 15 HB1 TYR 15 174.416 9.032 7.201 402 HD1 TYR 15 HD1 TYR 15 171.946 7.984 7.273 403 HD2 TYR 15 HD2 TYR 15 173.365 11.109 9.787 404 HE1 TYR 15 HE1 TYR 15 169.630 8.723 7.651 405 HE2 TYR 15 HE2 TYR 15 171.054 11.855 10.174 406 HH TYR 15 HH TYR 15 168.352 9.989 9.328 407 H LYS 16 HN LYS 16 176.058 6.287 10.343 408 HA LYS 16 HA LYS 16 178.463 6.807 8.742 409 HB2 LYS 16 HB2 LYS 16 178.193 5.814 11.584 410 HB3 LYS 16 HB1 LYS 16 179.714 6.097 10.751 411 HG2 LYS 16 HG2 LYS 16 179.188 8.466 10.564 412 HG3 LYS 16 HG1 LYS 16 177.641 8.192 11.365 413 HD2 LYS 16 HD2 LYS 16 179.286 9.067 12.937 414 HD3 LYS 16 HD1 LYS 16 178.821 7.420 13.370 415 HE2 LYS 16 HE2 LYS 16 180.850 6.564 12.314 416 HE3 LYS 16 HE1 LYS 16 181.310 8.203 11.856 417 HZ1 LYS 16 HZ1 LYS 16 182.467 7.486 13.848 418 HZ2 LYS 16 HZ2 LYS 16 180.996 7.209 14.638 419 HZ3 LYS 16 HZ3 LYS 16 181.437 8.783 14.200 420 H CYS 17 HN CYS 17 179.602 5.194 7.806 421 HA CYS 17 HA CYS 17 178.408 2.521 7.889 422 HB2 CYS 17 HB2 CYS 17 180.398 3.738 5.962 423 HB3 CYS 17 HB1 CYS 17 179.755 2.103 5.847 424 HG CYS 17 HG CYS 17 178.272 3.242 3.969 425 H THR 18 HN THR 18 179.663 0.655 8.210 426 HA THR 18 HA THR 18 182.360 1.080 9.302 427 HB THR 18 HB THR 18 180.273 -0.708 10.569 428 HG1 THR 18 HG1 THR 18 180.555 0.889 12.317 429 HG21 THR 18 HG21 THR 18 181.931 -0.981 12.355 430 HG22 THR 18 HG22 THR 18 183.078 0.001 11.442 431 HG23 THR 18 HG23 THR 18 182.554 -1.562 10.811 432 H ALA 19 HN ALA 19 183.840 -0.471 8.798 433 HA ALA 19 HA ALA 19 182.877 -2.845 7.347 434 HB1 ALA 19 HB1 ALA 19 183.708 -1.134 5.765 435 HB2 ALA 19 HB2 ALA 19 184.652 -2.623 5.730 436 HB3 ALA 19 HB3 ALA 19 185.280 -1.201 6.562 437 H TYR 20 HN TYR 20 184.245 -4.688 7.434 438 HA TYR 20 HA TYR 20 186.084 -4.658 9.733 439 HB2 TYR 20 HB2 TYR 20 184.447 -6.922 8.576 440 HB3 TYR 20 HB1 TYR 20 185.631 -7.113 9.865 441 HD1 TYR 20 HD1 TYR 20 185.143 -6.413 12.112 442 HD2 TYR 20 HD2 TYR 20 182.350 -5.704 8.983 443 HE1 TYR 20 HE1 TYR 20 183.421 -5.872 13.781 444 HE2 TYR 20 HE2 TYR 20 180.619 -5.160 10.642 445 HH TYR 20 HH TYR 20 180.128 -5.617 13.008 446 H LEU 21 HN LEU 21 188.135 -4.584 9.110 447 HA LEU 21 HA LEU 21 188.959 -5.583 6.527 448 HB2 LEU 21 HB2 LEU 21 190.592 -4.385 8.765 449 HB3 LEU 21 HB1 LEU 21 191.168 -4.711 7.142 450 HG LEU 21 HG LEU 21 189.052 -2.702 7.913 451 HD11 LEU 21 HD11 LEU 21 191.309 -1.999 8.485 452 HD12 LEU 21 HD12 LEU 21 190.688 -1.062 7.126 453 HD13 LEU 21 HD13 LEU 21 191.850 -2.358 6.846 454 HD21 LEU 21 HD21 LEU 21 188.541 -3.729 5.762 455 HD22 LEU 21 HD22 LEU 21 190.177 -3.385 5.200 456 HD23 LEU 21 HD23 LEU 21 189.070 -2.059 5.555 457 H ASP 22 HN ASP 22 190.531 -7.186 6.170 458 HA ASP 22 HA ASP 22 190.670 -9.197 8.311 459 HB2 ASP 22 HB2 ASP 22 189.584 -9.889 6.185 460 HB3 ASP 22 HB1 ASP 22 191.089 -9.557 5.334 461 H TYR 23 HN TYR 23 192.415 -6.877 8.146 462 HA TYR 23 HA TYR 23 194.909 -7.379 7.030 463 HB2 TYR 23 HB2 TYR 23 194.241 -5.210 7.991 464 HB3 TYR 23 HB1 TYR 23 194.304 -5.910 9.605 465 HD1 TYR 23 HD1 TYR 23 196.250 -4.603 6.816 466 HD2 TYR 23 HD2 TYR 23 196.462 -6.479 10.628 467 HE1 TYR 23 HE1 TYR 23 198.629 -4.002 6.973 468 HE2 TYR 23 HE2 TYR 23 198.842 -5.883 10.795 469 HH TYR 23 HH TYR 23 200.711 -5.328 9.298 470 H GLY 24 HN GLY 24 194.256 -7.666 10.525 471 HA2 GLY 24 HA2 GLY 24 196.345 -9.717 10.673 472 HA3 GLY 24 HA1 GLY 24 195.666 -8.833 12.033 473 H ASP 25 HN ASP 25 193.682 -9.494 12.919 474 HA ASP 25 HA ASP 25 192.934 -12.249 12.204 475 HB2 ASP 25 HB2 ASP 25 192.114 -12.478 14.501 476 HB3 ASP 25 HB1 ASP 25 193.806 -11.986 14.489 477 H GLY 26 HN GLY 26 191.775 -8.999 12.625 478 HA2 GLY 26 HA2 GLY 26 189.763 -8.640 11.112 479 HA3 GLY 26 HA1 GLY 26 189.024 -9.910 12.072 480 H LYS 27 HN LYS 27 191.047 -7.173 13.083 481 HA LYS 27 HA LYS 27 188.829 -6.310 14.819 482 HB2 LYS 27 HB2 LYS 27 191.806 -5.902 15.158 483 HB3 LYS 27 HB1 LYS 27 190.572 -5.268 16.238 484 HG2 LYS 27 HG2 LYS 27 189.877 -7.549 16.781 485 HG3 LYS 27 HG1 LYS 27 191.126 -8.179 15.704 486 HD2 LYS 27 HD2 LYS 27 192.849 -7.125 17.080 487 HD3 LYS 27 HD1 LYS 27 191.604 -6.475 18.150 488 HE2 LYS 27 HE2 LYS 27 192.166 -9.397 17.652 489 HE3 LYS 27 HE1 LYS 27 192.628 -8.486 19.089 490 HZ1 LYS 27 HZ1 LYS 27 190.285 -8.103 19.551 491 HZ2 LYS 27 HZ2 LYS 27 190.617 -9.760 19.467 492 HZ3 LYS 27 HZ3 LYS 27 189.847 -8.986 18.175 493 H TRP 28 HN TRP 28 191.319 -5.232 12.576 494 HA TRP 28 HA TRP 28 190.902 -2.468 12.782 495 HB2 TRP 28 HB2 TRP 28 191.775 -4.074 10.370 496 HB3 TRP 28 HB1 TRP 28 191.955 -2.333 10.555 497 HD1 TRP 28 HD1 TRP 28 193.362 -5.640 11.903 498 HE1 TRP 28 HE1 TRP 28 195.640 -5.168 13.003 499 HE3 TRP 28 HE3 TRP 28 193.341 -0.534 11.652 500 HZ2 TRP 28 HZ2 TRP 28 197.220 -2.928 13.675 501 HZ3 TRP 28 HZ3 TRP 28 195.275 0.698 12.545 502 HH2 TRP 28 HH2 TRP 28 197.173 -0.475 13.536 503 H VAL 29 HN VAL 29 189.205 -1.259 12.276 504 HA VAL 29 HA VAL 29 187.405 -2.175 10.136 505 HB VAL 29 HB VAL 29 185.474 -1.333 11.409 506 HG11 VAL 29 HG11 VAL 29 186.017 -3.699 11.507 507 HG12 VAL 29 HG12 VAL 29 185.367 -3.153 13.052 508 HG13 VAL 29 HG13 VAL 29 187.102 -3.411 12.867 509 HG21 VAL 29 HG21 VAL 29 187.459 -0.987 13.656 510 HG22 VAL 29 HG22 VAL 29 185.709 -0.833 13.800 511 HG23 VAL 29 HG23 VAL 29 186.614 0.305 12.803 512 H ALA 30 HN ALA 30 186.632 -0.626 8.777 513 HA ALA 30 HA ALA 30 187.763 2.062 9.104 514 HB1 ALA 30 HB1 ALA 30 186.620 0.749 6.641 515 HB2 ALA 30 HB2 ALA 30 188.333 0.877 7.038 516 HB3 ALA 30 HB3 ALA 30 187.393 2.332 6.711 517 H GLN 31 HN GLN 31 186.478 3.926 8.769 518 HA GLN 31 HA GLN 31 183.581 3.536 8.693 519 HB2 GLN 31 HB2 GLN 31 185.018 5.128 10.823 520 HB3 GLN 31 HB1 GLN 31 183.277 5.123 10.576 521 HG2 GLN 31 HG2 GLN 31 183.224 2.724 11.063 522 HG3 GLN 31 HG1 GLN 31 184.964 2.750 11.337 523 HE21 GLN 31 HE21 GLN 31 182.798 2.032 13.152 524 HE22 GLN 31 HE22 GLN 31 182.952 3.077 14.520 525 H TRP 32 HN TRP 32 182.476 5.113 7.647 526 HA TRP 32 HA TRP 32 183.707 7.683 7.121 527 HB2 TRP 32 HB2 TRP 32 183.590 7.523 4.706 528 HB3 TRP 32 HB1 TRP 32 184.597 6.218 5.324 529 HD1 TRP 32 HD1 TRP 32 181.729 6.842 3.079 530 HE1 TRP 32 HE1 TRP 32 180.645 4.621 2.359 531 HE3 TRP 32 HE3 TRP 32 183.987 3.709 6.429 532 HZ2 TRP 32 HZ2 TRP 32 180.732 1.903 3.113 533 HZ3 TRP 32 HZ3 TRP 32 183.430 1.314 6.363 534 HH2 TRP 32 HH2 TRP 32 181.836 0.432 4.739 535 H ASP 33 HN ASP 33 182.198 9.209 7.220 536 HA ASP 33 HA ASP 33 179.508 8.675 7.725 537 HB2 ASP 33 HB2 ASP 33 180.754 11.229 6.687 538 HB3 ASP 33 HB1 ASP 33 179.149 11.095 7.399 539 H THR 34 HN THR 34 177.618 9.051 6.485 540 HA THR 34 HA THR 34 177.871 9.405 3.617 541 HB THR 34 HB THR 34 176.672 7.360 3.033 542 HG1 THR 34 HG1 THR 34 175.781 6.151 4.530 543 HG21 THR 34 HG21 THR 34 179.132 7.321 3.059 544 HG22 THR 34 HG22 THR 34 178.446 5.745 3.454 545 HG23 THR 34 HG23 THR 34 179.097 6.768 4.734 546 H ALA 35 HN ALA 35 175.473 8.915 2.682 547 HA ALA 35 HA ALA 35 173.598 10.317 4.474 548 HB1 ALA 35 HB1 ALA 35 173.841 10.636 1.484 549 HB2 ALA 35 HB2 ALA 35 174.376 11.801 2.696 550 HB3 ALA 35 HB3 ALA 35 172.659 11.438 2.519 551 H VAL 36 HN VAL 36 171.950 9.061 5.019 552 HA VAL 36 HA VAL 36 171.054 6.999 3.114 553 HB VAL 36 HB VAL 36 170.643 7.018 6.106 554 HG11 VAL 36 HG11 VAL 36 169.984 4.679 5.783 555 HG12 VAL 36 HG12 VAL 36 170.179 4.870 4.040 556 HG13 VAL 36 HG13 VAL 36 168.934 5.783 4.893 557 HG21 VAL 36 HG21 VAL 36 172.643 5.476 4.456 558 HG22 VAL 36 HG22 VAL 36 172.350 5.259 6.182 559 HG23 VAL 36 HG23 VAL 36 173.009 6.782 5.584 560 H PHE 37 HN PHE 37 168.930 6.875 2.550 561 HA PHE 37 HA PHE 37 166.960 8.517 3.917 562 HB2 PHE 37 HB2 PHE 37 166.222 9.588 1.798 563 HB3 PHE 37 HB1 PHE 37 167.835 10.087 2.295 564 HD1 PHE 37 HD1 PHE 37 169.794 9.397 1.044 565 HD2 PHE 37 HD2 PHE 37 165.882 8.242 -0.172 566 HE1 PHE 37 HE1 PHE 37 170.675 8.747 -1.159 567 HE2 PHE 37 HE2 PHE 37 166.756 7.589 -2.377 568 HZ PHE 37 HZ PHE 37 169.156 7.841 -2.873 569 H HIS 38 HN HIS 38 164.809 7.917 3.485 570 HA HIS 38 HA HIS 38 164.509 5.167 2.692 571 HB2 HIS 38 HB2 HIS 38 163.260 6.075 4.604 572 HB3 HIS 38 HB1 HIS 38 162.432 7.200 3.534 573 HD1 HIS 38 HD1 HIS 38 160.398 6.350 2.306 574 HD2 HIS 38 HD2 HIS 38 162.500 3.329 4.237 575 HE1 HIS 38 HE1 HIS 38 158.936 4.311 2.155 576 HE2 HIS 38 HE2 HIS 38 160.226 2.494 3.330 577 H THR 39 HN THR 39 164.167 4.506 0.687 578 HA THR 39 HA THR 39 163.560 6.345 -1.425 579 HB THR 39 HB THR 39 163.610 4.373 -2.897 580 HG1 THR 39 HG1 THR 39 164.139 2.329 -1.871 581 HG21 THR 39 HG21 THR 39 165.718 5.459 -2.303 582 HG22 THR 39 HG22 THR 39 165.941 3.721 -2.496 583 HG23 THR 39 HG23 THR 39 165.859 4.425 -0.882 584 H THR 40 HN THR 40 161.713 6.462 -2.691 585 HA THR 40 HA THR 40 159.379 4.902 -1.862 586 HB THR 40 HB THR 40 157.948 6.907 -1.834 587 HG1 THR 40 HG1 THR 40 160.432 8.280 -2.111 588 HG21 THR 40 HG21 THR 40 160.286 7.064 0.073 589 HG22 THR 40 HG22 THR 40 158.847 6.065 0.278 590 HG23 THR 40 HG23 THR 40 158.712 7.823 0.312 591 H1 ALA 1 HT1 ALA 1 174.750 3.325 -16.681 592 H2 ALA 1 HT2 ALA 1 174.149 4.485 -15.607 593 H3 ALA 1 HT3 ALA 1 173.182 3.928 -16.877 594 HA ALA 1 HA ALA 1 172.502 2.946 -14.790 595 HB1 ALA 1 HB1 ALA 1 172.216 1.687 -16.870 596 HB2 ALA 1 HB2 ALA 1 172.526 0.618 -15.502 597 HB3 ALA 1 HB3 ALA 1 173.813 0.971 -16.656 598 HA PRO 2 HA PRO 2 175.578 2.017 -11.767 599 HB2 PRO 2 HB2 PRO 2 174.268 0.190 -10.244 600 HB3 PRO 2 HB1 PRO 2 173.873 1.915 -10.224 601 HG2 PRO 2 HG2 PRO 2 172.500 -0.306 -11.667 602 HG3 PRO 2 HG1 PRO 2 171.800 1.065 -10.784 603 HD2 PRO 2 HD2 PRO 2 171.988 1.025 -13.480 604 HD3 PRO 2 HD1 PRO 2 172.099 2.523 -12.533 605 H VAL 3 HN VAL 3 176.801 0.187 -10.787 606 HA VAL 3 HA VAL 3 176.761 -2.279 -12.353 607 HB VAL 3 HB VAL 3 179.208 -2.219 -12.675 608 HG11 VAL 3 HG11 VAL 3 179.220 -0.589 -14.509 609 HG12 VAL 3 HG12 VAL 3 177.724 0.110 -13.887 610 HG13 VAL 3 HG13 VAL 3 177.739 -1.548 -14.491 611 HG21 VAL 3 HG21 VAL 3 180.347 0.000 -12.466 612 HG22 VAL 3 HG22 VAL 3 179.904 -0.743 -10.930 613 HG23 VAL 3 HG23 VAL 3 178.933 0.577 -11.584 614 HA PRO 4 HA PRO 4 177.178 -3.806 -8.152 615 HB2 PRO 4 HB2 PRO 4 177.794 -6.342 -9.557 616 HB3 PRO 4 HB1 PRO 4 176.551 -5.998 -8.347 617 HG2 PRO 4 HG2 PRO 4 175.896 -6.355 -10.900 618 HG3 PRO 4 HG1 PRO 4 175.064 -5.154 -9.890 619 HD2 PRO 4 HD2 PRO 4 177.157 -4.736 -11.976 620 HD3 PRO 4 HD1 PRO 4 175.723 -3.759 -11.600 621 H VAL 5 HN VAL 5 178.849 -4.494 -6.798 622 HA VAL 5 HA VAL 5 181.520 -4.130 -7.903 623 HB VAL 5 HB VAL 5 180.682 -4.509 -5.023 624 HG11 VAL 5 HG11 VAL 5 183.280 -3.539 -6.211 625 HG12 VAL 5 HG12 VAL 5 183.014 -5.096 -5.425 626 HG13 VAL 5 HG13 VAL 5 182.892 -3.605 -4.492 627 HG21 VAL 5 HG21 VAL 5 180.992 -2.076 -4.828 628 HG22 VAL 5 HG22 VAL 5 179.691 -2.496 -5.941 629 HG23 VAL 5 HG23 VAL 5 181.257 -1.984 -6.569 630 H THR 6 HN THR 6 182.840 -5.756 -8.382 631 HA THR 6 HA THR 6 182.059 -8.476 -7.719 632 HB THR 6 HB THR 6 183.899 -9.158 -9.209 633 HG1 THR 6 HG1 THR 6 185.375 -7.503 -8.947 634 HG21 THR 6 HG21 THR 6 182.117 -7.020 -10.383 635 HG22 THR 6 HG22 THR 6 181.699 -8.721 -10.176 636 HG23 THR 6 HG23 THR 6 182.976 -8.258 -11.299 637 H LYS 7 HN LYS 7 184.552 -6.152 -6.929 638 HA LYS 7 HA LYS 7 185.404 -7.839 -4.712 639 HB2 LYS 7 HB2 LYS 7 186.884 -8.276 -6.748 640 HB3 LYS 7 HB1 LYS 7 187.463 -6.628 -6.553 641 HG2 LYS 7 HG2 LYS 7 188.320 -7.143 -4.359 642 HG3 LYS 7 HG1 LYS 7 187.640 -8.770 -4.445 643 HD2 LYS 7 HD2 LYS 7 189.077 -9.198 -6.433 644 HD3 LYS 7 HD1 LYS 7 189.826 -7.620 -6.178 645 HE2 LYS 7 HE2 LYS 7 191.193 -9.388 -5.218 646 HE3 LYS 7 HE1 LYS 7 190.563 -8.332 -3.957 647 HZ1 LYS 7 HZ1 LYS 7 190.403 -10.680 -3.360 648 HZ2 LYS 7 HZ2 LYS 7 189.418 -10.968 -4.705 649 HZ3 LYS 7 HZ3 LYS 7 188.873 -9.965 -3.458 650 H LEU 8 HN LEU 8 185.935 -6.675 -2.922 651 HA LEU 8 HA LEU 8 186.283 -3.772 -3.231 652 HB2 LEU 8 HB2 LEU 8 183.924 -4.564 -2.532 653 HB3 LEU 8 HB1 LEU 8 184.665 -4.932 -0.987 654 HG LEU 8 HG LEU 8 183.576 -2.770 -0.900 655 HD11 LEU 8 HD11 LEU 8 185.376 -1.452 -0.039 656 HD12 LEU 8 HD12 LEU 8 186.559 -2.369 -0.971 657 HD13 LEU 8 HD13 LEU 8 185.691 -3.142 0.354 658 HD21 LEU 8 HD21 LEU 8 183.695 -2.238 -3.288 659 HD22 LEU 8 HD22 LEU 8 185.432 -1.968 -3.138 660 HD23 LEU 8 HD23 LEU 8 184.299 -0.914 -2.293 661 H VAL 9 HN VAL 9 188.282 -3.379 -2.534 662 HA VAL 9 HA VAL 9 189.235 -4.782 -0.126 663 HB VAL 9 HB VAL 9 191.516 -4.222 -0.866 664 HG11 VAL 9 HG11 VAL 9 189.872 -5.667 -2.941 665 HG12 VAL 9 HG12 VAL 9 190.557 -6.373 -1.476 666 HG13 VAL 9 HG13 VAL 9 191.622 -5.783 -2.752 667 HG21 VAL 9 HG21 VAL 9 191.886 -3.363 -3.138 668 HG22 VAL 9 HG22 VAL 9 191.030 -2.199 -2.127 669 HG23 VAL 9 HG23 VAL 9 190.147 -3.141 -3.329 670 H CYS 10 HN CYS 10 190.946 -3.421 1.087 671 HA CYS 10 HA CYS 10 190.357 -0.569 1.091 672 HB2 CYS 10 HB2 CYS 10 188.678 -1.511 2.611 673 HB3 CYS 10 HB1 CYS 10 189.949 -2.303 3.537 674 HG CYS 10 HG CYS 10 188.636 0.369 4.376 675 H ASP 11 HN ASP 11 192.109 0.618 1.560 676 HA ASP 11 HA ASP 11 194.526 -0.812 2.395 677 HB2 ASP 11 HB2 ASP 11 194.208 1.930 1.156 678 HB3 ASP 11 HB1 ASP 11 195.743 1.158 1.540 679 H GLY 12 HN GLY 12 194.911 -0.784 4.509 680 HA2 GLY 12 HA2 GLY 12 193.839 1.248 6.235 681 HA3 GLY 12 HA1 GLY 12 194.875 -0.088 6.713 682 H ASP 13 HN ASP 13 196.872 0.730 4.621 683 HA ASP 13 HA ASP 13 198.578 2.222 6.250 684 HB2 ASP 13 HB2 ASP 13 198.638 1.915 3.239 685 HB3 ASP 13 HB1 ASP 13 199.973 2.496 4.230 686 H THR 14 HN THR 14 196.913 3.314 3.286 687 HA THR 14 HA THR 14 197.317 6.086 4.128 688 HB THR 14 HB THR 14 196.566 6.695 1.864 689 HG1 THR 14 HG1 THR 14 195.180 4.902 1.483 690 HG21 THR 14 HG21 THR 14 198.471 5.761 0.627 691 HG22 THR 14 HG22 THR 14 198.707 4.564 1.901 692 HG23 THR 14 HG23 THR 14 198.941 6.278 2.247 693 H TYR 15 HN TYR 15 195.090 3.850 4.798 694 HA TYR 15 HA TYR 15 192.916 3.875 5.459 695 HB2 TYR 15 HB2 TYR 15 193.254 6.880 5.477 696 HB3 TYR 15 HB1 TYR 15 192.023 5.958 6.337 697 HD1 TYR 15 HD1 TYR 15 193.060 4.062 7.930 698 HD2 TYR 15 HD2 TYR 15 195.067 7.604 6.697 699 HE1 TYR 15 HE1 TYR 15 194.545 3.892 9.882 700 HE2 TYR 15 HE2 TYR 15 196.559 7.443 8.646 701 HH TYR 15 HH TYR 15 196.779 4.659 10.569 702 H LYS 16 HN LYS 16 193.661 4.184 2.559 703 HA LYS 16 HA LYS 16 191.233 5.496 1.556 704 HB2 LYS 16 HB2 LYS 16 193.720 4.609 0.081 705 HB3 LYS 16 HB1 LYS 16 192.336 5.405 -0.655 706 HG2 LYS 16 HG2 LYS 16 192.742 7.389 0.695 707 HG3 LYS 16 HG1 LYS 16 194.111 6.590 1.470 708 HD2 LYS 16 HD2 LYS 16 194.870 8.092 -0.293 709 HD3 LYS 16 HD1 LYS 16 195.233 6.414 -0.702 710 HE2 LYS 16 HE2 LYS 16 193.264 6.337 -2.145 711 HE3 LYS 16 HE1 LYS 16 192.881 8.005 -1.723 712 HZ1 LYS 16 HZ1 LYS 16 194.010 7.870 -3.851 713 HZ2 LYS 16 HZ2 LYS 16 195.332 7.097 -3.134 714 HZ3 LYS 16 HZ3 LYS 16 194.968 8.698 -2.728 715 H CYS 17 HN CYS 17 189.667 4.390 0.508 716 HA CYS 17 HA CYS 17 189.906 1.471 0.490 717 HB2 CYS 17 HB2 CYS 17 187.479 3.257 0.222 718 HB3 CYS 17 HB1 CYS 17 187.440 1.497 0.218 719 HG CYS 17 HG CYS 17 186.619 1.905 2.705 720 H THR 18 HN THR 18 189.359 0.232 -1.333 721 HA THR 18 HA THR 18 189.159 1.692 -3.877 722 HB THR 18 HB THR 18 190.968 -0.690 -3.420 723 HG1 THR 18 HG1 THR 18 192.604 0.975 -3.911 724 HG21 THR 18 HG21 THR 18 191.751 -0.234 -5.700 725 HG22 THR 18 HG22 THR 18 190.565 1.063 -5.849 726 HG23 THR 18 HG23 THR 18 190.028 -0.609 -5.679 727 H ALA 19 HN ALA 19 187.827 0.791 -5.381 728 HA ALA 19 HA ALA 19 186.652 -1.835 -4.757 729 HB1 ALA 19 HB1 ALA 19 185.124 -0.014 -4.078 730 HB2 ALA 19 HB2 ALA 19 184.455 -1.038 -5.349 731 HB3 ALA 19 HB3 ALA 19 185.103 0.553 -5.748 732 H TYR 20 HN TYR 20 185.850 -3.021 -6.553 733 HA TYR 20 HA TYR 20 187.045 -2.194 -9.114 734 HB2 TYR 20 HB2 TYR 20 186.450 -4.959 -8.043 735 HB3 TYR 20 HB1 TYR 20 187.022 -4.630 -9.675 736 HD1 TYR 20 HD1 TYR 20 189.319 -4.061 -10.095 737 HD2 TYR 20 HD2 TYR 20 187.930 -4.603 -6.111 738 HE1 TYR 20 HE1 TYR 20 191.645 -4.132 -9.300 739 HE2 TYR 20 HE2 TYR 20 190.251 -4.675 -5.304 740 HH TYR 20 HH TYR 20 192.492 -5.173 -6.184 741 H LEU 21 HN LEU 21 185.578 -1.383 -10.450 742 HA LEU 21 HA LEU 21 182.790 -2.116 -10.249 743 HB2 LEU 21 HB2 LEU 21 184.189 -0.289 -12.202 744 HB3 LEU 21 HB1 LEU 21 182.452 -0.448 -12.017 745 HG LEU 21 HG LEU 21 184.373 0.649 -9.962 746 HD11 LEU 21 HD11 LEU 21 183.952 2.176 -11.808 747 HD12 LEU 21 HD12 LEU 21 183.169 2.747 -10.334 748 HD13 LEU 21 HD13 LEU 21 182.213 1.972 -11.599 749 HD21 LEU 21 HD21 LEU 21 182.566 -0.594 -8.896 750 HD22 LEU 21 HD22 LEU 21 181.378 0.314 -9.831 751 HD23 LEU 21 HD23 LEU 21 182.379 1.141 -8.638 752 H ASP 22 HN ASP 22 181.539 -3.024 -11.915 753 HA ASP 22 HA ASP 22 183.078 -4.731 -13.748 754 HB2 ASP 22 HB2 ASP 22 181.602 -5.881 -12.112 755 HB3 ASP 22 HB1 ASP 22 180.217 -5.046 -12.809 756 H TYR 23 HN TYR 23 182.468 -1.935 -14.262 757 HA TYR 23 HA TYR 23 180.285 -1.514 -15.927 758 HB2 TYR 23 HB2 TYR 23 181.737 0.287 -15.076 759 HB3 TYR 23 HB1 TYR 23 183.032 -0.262 -16.135 760 HD1 TYR 23 HD1 TYR 23 179.878 1.550 -15.931 761 HD2 TYR 23 HD2 TYR 23 182.875 0.071 -18.563 762 HE1 TYR 23 HE1 TYR 23 179.023 3.010 -17.715 763 HE2 TYR 23 HE2 TYR 23 182.028 1.528 -20.355 764 HH TYR 23 HH TYR 23 179.940 2.675 -20.963 765 H GLY 24 HN GLY 24 183.618 -1.862 -17.150 766 HA2 GLY 24 HA2 GLY 24 182.513 -2.965 -19.631 767 HA3 GLY 24 HA1 GLY 24 184.142 -2.341 -19.413 768 H ASP 25 HN ASP 25 185.728 -3.658 -18.462 769 HA ASP 25 HA ASP 25 185.051 -6.522 -18.491 770 HB2 ASP 25 HB2 ASP 25 187.413 -6.936 -18.994 771 HB3 ASP 25 HB1 ASP 25 186.705 -5.844 -20.181 772 H GLY 26 HN GLY 26 186.404 -3.931 -16.606 773 HA2 GLY 26 HA2 GLY 26 186.034 -4.428 -14.141 774 HA3 GLY 26 HA1 GLY 26 187.036 -5.837 -14.445 775 H LYS 27 HN LYS 27 187.393 -2.495 -15.592 776 HA LYS 27 HA LYS 27 190.046 -2.452 -14.315 777 HB2 LYS 27 HB2 LYS 27 189.054 -0.937 -16.737 778 HB3 LYS 27 HB1 LYS 27 190.652 -0.766 -16.025 779 HG2 LYS 27 HG2 LYS 27 191.125 -3.113 -16.525 780 HG3 LYS 27 HG1 LYS 27 189.524 -3.275 -17.248 781 HD2 LYS 27 HD2 LYS 27 190.102 -1.587 -18.918 782 HD3 LYS 27 HD1 LYS 27 191.698 -1.405 -18.188 783 HE2 LYS 27 HE2 LYS 27 190.595 -3.919 -19.437 784 HE3 LYS 27 HE1 LYS 27 191.780 -2.836 -20.168 785 HZ1 LYS 27 HZ1 LYS 27 193.301 -3.343 -18.356 786 HZ2 LYS 27 HZ2 LYS 27 192.845 -4.755 -19.169 787 HZ3 LYS 27 HZ3 LYS 27 192.165 -4.389 -17.665 788 H TRP 28 HN TRP 28 187.095 -0.621 -14.887 789 HA TRP 28 HA TRP 28 187.853 1.789 -13.673 790 HB2 TRP 28 HB2 TRP 28 185.108 0.520 -13.806 791 HB3 TRP 28 HB1 TRP 28 185.434 2.207 -13.424 792 HD1 TRP 28 HD1 TRP 28 185.520 -0.261 -16.365 793 HE1 TRP 28 HE1 TRP 28 185.523 1.086 -18.558 794 HE3 TRP 28 HE3 TRP 28 186.023 4.445 -14.429 795 HZ2 TRP 28 HZ2 TRP 28 185.711 3.785 -19.362 796 HZ3 TRP 28 HZ3 TRP 28 186.107 6.355 -15.978 797 HH2 TRP 28 HH2 TRP 28 185.955 6.030 -18.394 798 H VAL 29 HN VAL 29 188.348 2.243 -11.636 799 HA VAL 29 HA VAL 29 187.150 0.620 -9.495 800 HB VAL 29 HB VAL 29 189.264 0.731 -8.239 801 HG11 VAL 29 HG11 VAL 29 188.771 -1.251 -9.558 802 HG12 VAL 29 HG12 VAL 29 190.503 -0.918 -9.570 803 HG13 VAL 29 HG13 VAL 29 189.518 -0.512 -10.975 804 HG21 VAL 29 HG21 VAL 29 190.389 1.903 -10.781 805 HG22 VAL 29 HG22 VAL 29 191.332 1.393 -9.381 806 HG23 VAL 29 HG23 VAL 29 190.203 2.740 -9.240 807 H ALA 30 HN ALA 30 186.521 1.698 -7.682 808 HA ALA 30 HA ALA 30 186.675 4.627 -7.802 809 HB1 ALA 30 HB1 ALA 30 184.837 2.867 -6.181 810 HB2 ALA 30 HB2 ALA 30 184.431 3.650 -7.708 811 HB3 ALA 30 HB3 ALA 30 184.772 4.627 -6.280 812 H GLN 31 HN GLN 31 187.223 5.851 -5.949 813 HA GLN 31 HA GLN 31 188.413 4.395 -3.711 814 HB2 GLN 31 HB2 GLN 31 189.860 6.508 -5.315 815 HB3 GLN 31 HB1 GLN 31 190.431 5.837 -3.794 816 HG2 GLN 31 HG2 GLN 31 190.549 3.619 -4.826 817 HG3 GLN 31 HG1 GLN 31 190.005 4.312 -6.354 818 HE21 GLN 31 HE21 GLN 31 192.483 2.917 -5.714 819 HE22 GLN 31 HE22 GLN 31 193.764 4.005 -6.114 820 H TRP 32 HN TRP 32 188.213 5.389 -1.769 821 HA TRP 32 HA TRP 32 187.555 8.207 -1.609 822 HB2 TRP 32 HB2 TRP 32 185.458 7.902 -0.429 823 HB3 TRP 32 HB1 TRP 32 185.363 7.103 -1.994 824 HD1 TRP 32 HD1 TRP 32 184.774 6.496 1.602 825 HE1 TRP 32 HE1 TRP 32 184.319 3.999 2.036 826 HE3 TRP 32 HE3 TRP 32 186.260 4.604 -2.909 827 HZ2 TRP 32 HZ2 TRP 32 184.563 1.554 0.650 828 HZ3 TRP 32 HZ3 TRP 32 186.118 2.175 -3.273 829 HH2 TRP 32 HH2 TRP 32 185.288 0.683 -1.529 830 H ASP 33 HN ASP 33 188.540 9.054 0.102 831 HA ASP 33 HA ASP 33 190.128 7.572 1.849 832 HB2 ASP 33 HB2 ASP 33 189.007 10.356 2.234 833 HB3 ASP 33 HB1 ASP 33 190.343 9.661 3.147 834 H THR 34 HN THR 34 189.946 7.150 4.094 835 HA THR 34 HA THR 34 187.356 7.439 5.368 836 HB THR 34 HB THR 34 187.098 5.068 5.891 837 HG1 THR 34 HG1 THR 34 188.650 3.684 5.480 838 HG21 THR 34 HG21 THR 34 186.000 5.959 3.878 839 HG22 THR 34 HG22 THR 34 186.437 4.261 3.691 840 HG23 THR 34 HG23 THR 34 187.413 5.514 2.921 841 H ALA 35 HN ALA 35 187.550 6.040 7.575 842 HA ALA 35 HA ALA 35 190.175 6.713 8.739 843 HB1 ALA 35 HB1 ALA 35 187.476 6.961 10.066 844 HB2 ALA 35 HB2 ALA 35 188.464 8.295 9.472 845 HB3 ALA 35 HB3 ALA 35 189.035 7.305 10.816 846 H VAL 36 HN VAL 36 191.223 4.956 9.370 847 HA VAL 36 HA VAL 36 189.664 2.622 10.265 848 HB VAL 36 HB VAL 36 192.488 2.624 9.192 849 HG11 VAL 36 HG11 VAL 36 192.173 0.197 9.053 850 HG12 VAL 36 HG12 VAL 36 190.577 0.366 9.785 851 HG13 VAL 36 HG13 VAL 36 192.020 0.781 10.710 852 HG21 VAL 36 HG21 VAL 36 189.912 1.873 7.810 853 HG22 VAL 36 HG22 VAL 36 191.534 1.643 7.156 854 HG23 VAL 36 HG23 VAL 36 190.922 3.272 7.443 855 H PHE 37 HN PHE 37 190.112 1.681 12.204 856 HA PHE 37 HA PHE 37 192.438 2.521 13.730 857 HB2 PHE 37 HB2 PHE 37 191.058 3.135 15.704 858 HB3 PHE 37 HB1 PHE 37 190.834 4.228 14.341 859 HD1 PHE 37 HD1 PHE 37 188.749 4.269 13.106 860 HD2 PHE 37 HD2 PHE 37 189.289 1.671 16.435 861 HE1 PHE 37 HE1 PHE 37 186.319 3.897 13.206 862 HE2 PHE 37 HE2 PHE 37 186.860 1.294 16.539 863 HZ PHE 37 HZ PHE 37 185.371 2.408 14.924 864 H HIS 38 HN HIS 38 192.948 1.136 15.460 865 HA HIS 38 HA HIS 38 192.002 -1.558 15.106 866 HB2 HIS 38 HB2 HIS 38 194.378 -1.099 15.533 867 HB3 HIS 38 HB1 HIS 38 193.968 -0.419 17.105 868 HD1 HIS 38 HD1 HIS 38 193.689 -2.029 19.027 869 HD2 HIS 38 HD2 HIS 38 194.015 -3.943 15.353 870 HE1 HIS 38 HE1 HIS 38 193.934 -4.474 19.562 871 HE2 HIS 38 HE2 HIS 38 194.129 -5.614 17.323 872 H THR 39 HN THR 39 190.297 -2.392 16.097 873 HA THR 39 HA THR 39 188.972 -1.018 18.233 874 HB THR 39 HB THR 39 187.376 -2.891 18.192 875 HG1 THR 39 HG1 THR 39 187.753 -4.535 16.559 876 HG21 THR 39 HG21 THR 39 187.096 -1.065 16.592 877 HG22 THR 39 HG22 THR 39 186.581 -2.599 15.890 878 HG23 THR 39 HG23 THR 39 188.138 -1.902 15.442 879 H THR 40 HN THR 40 188.711 -1.663 20.363 880 HA THR 40 HA THR 40 190.280 -3.947 21.308 881 HB THR 40 HB THR 40 191.234 -2.630 23.158 882 HG1 THR 40 HG1 THR 40 190.057 -0.437 21.766 883 HG21 THR 40 HG21 THR 40 191.874 -1.515 20.424 884 HG22 THR 40 HG22 THR 40 192.566 -2.972 21.138 885 HG23 THR 40 HG23 THR 40 192.904 -1.394 21.851 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 172.232 0.353 16.341 2 H2 ALA 1 HT2 ALA 1 171.884 0.736 14.731 3 H3 ALA 1 HT3 ALA 1 173.491 0.644 15.248 4 HA ALA 1 HA ALA 1 173.271 -1.709 15.665 5 HB1 ALA 1 HB1 ALA 1 170.893 -1.685 16.244 6 HB2 ALA 1 HB2 ALA 1 171.251 -2.895 15.011 7 HB3 ALA 1 HB3 ALA 1 170.488 -1.372 14.556 8 HA PRO 2 HA PRO 2 174.871 -1.007 11.427 9 HB2 PRO 2 HB2 PRO 2 176.386 -3.429 12.255 10 HB3 PRO 2 HB1 PRO 2 176.972 -1.924 11.532 11 HG2 PRO 2 HG2 PRO 2 177.382 -2.429 14.106 12 HG3 PRO 2 HG1 PRO 2 177.001 -0.791 13.539 13 HD2 PRO 2 HD2 PRO 2 175.250 -2.758 14.933 14 HD3 PRO 2 HD1 PRO 2 175.310 -0.990 15.083 15 H VAL 3 HN VAL 3 173.833 -1.770 9.705 16 HA VAL 3 HA VAL 3 172.742 -4.501 9.815 17 HB VAL 3 HB VAL 3 171.118 -3.776 8.107 18 HG11 VAL 3 HG11 VAL 3 170.505 -3.685 10.459 19 HG12 VAL 3 HG12 VAL 3 169.755 -2.358 9.571 20 HG13 VAL 3 HG13 VAL 3 171.167 -2.056 10.583 21 HG21 VAL 3 HG21 VAL 3 172.397 -1.073 8.502 22 HG22 VAL 3 HG22 VAL 3 170.871 -1.347 7.663 23 HG23 VAL 3 HG23 VAL 3 172.364 -2.026 7.018 24 HA PRO 4 HA PRO 4 175.775 -5.583 6.715 25 HB2 PRO 4 HB2 PRO 4 173.842 -7.749 6.103 26 HB3 PRO 4 HB1 PRO 4 175.555 -7.856 6.532 27 HG2 PRO 4 HG2 PRO 4 173.677 -8.543 8.283 28 HG3 PRO 4 HG1 PRO 4 175.156 -7.705 8.796 29 HD2 PRO 4 HD2 PRO 4 172.398 -6.621 8.448 30 HD3 PRO 4 HD1 PRO 4 173.619 -6.237 9.678 31 H VAL 5 HN VAL 5 175.976 -5.557 4.461 32 HA VAL 5 HA VAL 5 173.740 -4.287 3.075 33 HB VAL 5 HB VAL 5 176.599 -4.664 2.167 34 HG11 VAL 5 HG11 VAL 5 176.064 -3.026 0.442 35 HG12 VAL 5 HG12 VAL 5 174.396 -2.956 1.011 36 HG13 VAL 5 HG13 VAL 5 175.026 -4.445 0.305 37 HG21 VAL 5 HG21 VAL 5 176.853 -2.275 2.667 38 HG22 VAL 5 HG22 VAL 5 176.467 -3.212 4.110 39 HG23 VAL 5 HG23 VAL 5 175.217 -2.247 3.326 40 H THR 6 HN THR 6 172.422 -5.450 1.848 41 HA THR 6 HA THR 6 173.041 -8.169 1.143 42 HB THR 6 HB THR 6 170.815 -8.193 0.085 43 HG1 THR 6 HG1 THR 6 170.658 -5.463 0.899 44 HG21 THR 6 HG21 THR 6 169.486 -7.774 2.109 45 HG22 THR 6 HG22 THR 6 170.848 -6.905 2.817 46 HG23 THR 6 HG23 THR 6 170.983 -8.630 2.480 47 H LYS 7 HN LYS 7 172.976 -5.067 -0.466 48 HA LYS 7 HA LYS 7 174.363 -6.219 -2.743 49 HB2 LYS 7 HB2 LYS 7 171.847 -6.255 -3.195 50 HB3 LYS 7 HB1 LYS 7 171.934 -4.500 -3.224 51 HG2 LYS 7 HG2 LYS 7 173.493 -4.584 -5.081 52 HG3 LYS 7 HG1 LYS 7 173.477 -6.348 -5.032 53 HD2 LYS 7 HD2 LYS 7 171.035 -6.285 -5.483 54 HD3 LYS 7 HD1 LYS 7 171.151 -4.533 -5.663 55 HE2 LYS 7 HE2 LYS 7 172.739 -4.839 -7.507 56 HE3 LYS 7 HE1 LYS 7 172.597 -6.587 -7.332 57 HZ1 LYS 7 HZ1 LYS 7 170.381 -4.740 -8.039 58 HZ2 LYS 7 HZ2 LYS 7 170.256 -6.419 -7.889 59 HZ3 LYS 7 HZ3 LYS 7 171.203 -5.750 -9.119 60 H LEU 8 HN LEU 8 175.881 -4.857 -3.532 61 HA LEU 8 HA LEU 8 175.749 -2.034 -2.697 62 HB2 LEU 8 HB2 LEU 8 177.376 -3.552 -1.409 63 HB3 LEU 8 HB1 LEU 8 178.321 -3.578 -2.885 64 HG LEU 8 HG LEU 8 179.195 -1.937 -1.312 65 HD11 LEU 8 HD11 LEU 8 179.390 -0.088 -2.792 66 HD12 LEU 8 HD12 LEU 8 177.878 -0.497 -3.601 67 HD13 LEU 8 HD13 LEU 8 179.284 -1.544 -3.783 68 HD21 LEU 8 HD21 LEU 8 177.115 -1.437 -0.132 69 HD22 LEU 8 HD22 LEU 8 176.505 -0.599 -1.558 70 HD23 LEU 8 HD23 LEU 8 177.906 0.035 -0.696 71 H VAL 9 HN VAL 9 175.518 -0.842 -4.469 72 HA VAL 9 HA VAL 9 176.989 -1.628 -6.899 73 HB VAL 9 HB VAL 9 175.310 -0.351 -8.180 74 HG11 VAL 9 HG11 VAL 9 173.476 -1.947 -7.946 75 HG12 VAL 9 HG12 VAL 9 174.131 -2.476 -6.396 76 HG13 VAL 9 HG13 VAL 9 175.041 -2.757 -7.881 77 HG21 VAL 9 HG21 VAL 9 173.925 -0.072 -5.515 78 HG22 VAL 9 HG22 VAL 9 173.224 0.348 -7.077 79 HG23 VAL 9 HG23 VAL 9 174.625 1.232 -6.473 80 H CYS 10 HN CYS 10 177.448 0.300 -8.365 81 HA CYS 10 HA CYS 10 178.073 2.728 -6.848 82 HB2 CYS 10 HB2 CYS 10 180.106 1.355 -6.810 83 HB3 CYS 10 HB1 CYS 10 180.063 1.230 -8.566 84 HG CYS 10 HG CYS 10 182.030 3.089 -7.375 85 H ASP 11 HN ASP 11 177.527 4.514 -7.921 86 HA ASP 11 HA ASP 11 176.731 4.265 -10.719 87 HB2 ASP 11 HB2 ASP 11 176.314 6.529 -8.755 88 HB3 ASP 11 HB1 ASP 11 175.659 6.461 -10.388 89 H GLY 12 HN GLY 12 178.222 4.678 -12.206 90 HA2 GLY 12 HA2 GLY 12 180.536 6.297 -11.619 91 HA3 GLY 12 HA1 GLY 12 180.184 5.490 -13.139 92 H ASP 13 HN ASP 13 177.430 6.865 -12.979 93 HA ASP 13 HA ASP 13 177.952 8.941 -14.760 94 HB2 ASP 13 HB2 ASP 13 175.558 8.582 -12.944 95 HB3 ASP 13 HB1 ASP 13 175.622 9.648 -14.345 96 H THR 14 HN THR 14 177.579 8.987 -11.251 97 HA THR 14 HA THR 14 178.583 11.756 -11.263 98 HB THR 14 HB THR 14 177.204 12.251 -9.289 99 HG1 THR 14 HG1 THR 14 176.115 9.661 -9.783 100 HG21 THR 14 HG21 THR 14 176.345 12.825 -11.505 101 HG22 THR 14 HG22 THR 14 175.031 12.367 -10.420 102 HG23 THR 14 HG23 THR 14 175.605 11.229 -11.638 103 H TYR 15 HN TYR 15 179.612 8.845 -10.697 104 HA TYR 15 HA TYR 15 181.193 7.893 -9.373 105 HB2 TYR 15 HB2 TYR 15 181.656 10.698 -8.344 106 HB3 TYR 15 HB1 TYR 15 182.780 9.346 -8.258 107 HD1 TYR 15 HD1 TYR 15 181.703 12.156 -10.165 108 HD2 TYR 15 HD2 TYR 15 183.606 8.364 -10.489 109 HE1 TYR 15 HE1 TYR 15 182.659 12.828 -12.329 110 HE2 TYR 15 HE2 TYR 15 184.569 9.027 -12.654 111 HH TYR 15 HH TYR 15 184.105 10.625 -14.464 112 H LYS 16 HN LYS 16 178.381 8.482 -8.359 113 HA LYS 16 HA LYS 16 178.839 8.539 -5.476 114 HB2 LYS 16 HB2 LYS 16 176.300 8.587 -7.112 115 HB3 LYS 16 HB1 LYS 16 176.335 8.576 -5.354 116 HG2 LYS 16 HG2 LYS 16 177.599 10.693 -5.396 117 HG3 LYS 16 HG1 LYS 16 177.454 10.713 -7.155 118 HD2 LYS 16 HD2 LYS 16 175.037 10.809 -6.984 119 HD3 LYS 16 HD1 LYS 16 175.134 10.685 -5.226 120 HE2 LYS 16 HE2 LYS 16 174.761 12.990 -5.897 121 HE3 LYS 16 HE1 LYS 16 176.349 12.812 -5.149 122 HZ1 LYS 16 HZ1 LYS 16 177.332 12.751 -7.364 123 HZ2 LYS 16 HZ2 LYS 16 176.472 14.186 -7.119 124 HZ3 LYS 16 HZ3 LYS 16 175.806 12.953 -8.066 125 H CYS 17 HN CYS 17 178.923 6.760 -4.283 126 HA CYS 17 HA CYS 17 178.254 4.201 -5.519 127 HB2 CYS 17 HB2 CYS 17 180.458 4.420 -4.464 128 HB3 CYS 17 HB1 CYS 17 179.694 4.820 -2.930 129 HG CYS 17 HG CYS 17 178.571 2.322 -2.533 130 H THR 18 HN THR 18 176.293 3.393 -5.205 131 HA THR 18 HA THR 18 174.743 4.220 -2.869 132 HB THR 18 HB THR 18 173.849 2.615 -5.271 133 HG1 THR 18 HG1 THR 18 172.813 4.704 -5.772 134 HG21 THR 18 HG21 THR 18 172.435 2.232 -3.333 135 HG22 THR 18 HG22 THR 18 171.581 3.232 -4.508 136 HG23 THR 18 HG23 THR 18 172.286 3.969 -3.069 137 H ALA 19 HN ALA 19 173.611 2.670 -1.571 138 HA ALA 19 HA ALA 19 174.552 -0.093 -1.710 139 HB1 ALA 19 HB1 ALA 19 175.237 -0.154 0.596 140 HB2 ALA 19 HB2 ALA 19 174.765 1.530 0.821 141 HB3 ALA 19 HB3 ALA 19 176.122 1.128 -0.232 142 H TYR 20 HN TYR 20 173.142 -1.592 -0.860 143 HA TYR 20 HA TYR 20 170.504 -0.541 -0.111 144 HB2 TYR 20 HB2 TYR 20 171.305 -3.254 -1.182 145 HB3 TYR 20 HB1 TYR 20 169.665 -2.798 -0.733 146 HD1 TYR 20 HD1 TYR 20 172.316 -2.433 -3.218 147 HD2 TYR 20 HD2 TYR 20 168.393 -1.223 -2.102 148 HE1 TYR 20 HE1 TYR 20 171.949 -1.553 -5.485 149 HE2 TYR 20 HE2 TYR 20 168.014 -0.341 -4.366 150 HH TYR 20 HH TYR 20 170.065 -1.038 -6.977 151 H LEU 21 HN LEU 21 170.163 -0.472 2.006 152 HA LEU 21 HA LEU 21 171.590 -2.206 3.821 153 HB2 LEU 21 HB2 LEU 21 169.444 -0.151 4.362 154 HB3 LEU 21 HB1 LEU 21 170.415 -0.956 5.580 155 HG LEU 21 HG LEU 21 171.429 0.958 3.477 156 HD11 LEU 21 HD11 LEU 21 171.915 2.407 5.383 157 HD12 LEU 21 HD12 LEU 21 171.182 1.226 6.470 158 HD13 LEU 21 HD13 LEU 21 170.191 2.052 5.266 159 HD21 LEU 21 HD21 LEU 21 173.069 -0.780 3.936 160 HD22 LEU 21 HD22 LEU 21 172.910 -0.492 5.669 161 HD23 LEU 21 HD23 LEU 21 173.583 0.760 4.625 162 H ASP 22 HN ASP 22 170.564 -3.569 5.389 163 HA ASP 22 HA ASP 22 168.119 -4.815 4.342 164 HB2 ASP 22 HB2 ASP 22 170.135 -6.251 4.561 165 HB3 ASP 22 HB1 ASP 22 170.144 -5.936 6.293 166 H TYR 23 HN TYR 23 168.268 -2.380 6.055 167 HA TYR 23 HA TYR 23 167.584 -2.896 8.705 168 HB2 TYR 23 HB2 TYR 23 168.128 -0.654 7.843 169 HB3 TYR 23 HB1 TYR 23 166.617 -0.636 6.941 170 HD1 TYR 23 HD1 TYR 23 168.165 -0.276 10.221 171 HD2 TYR 23 HD2 TYR 23 164.474 -0.399 8.110 172 HE1 TYR 23 HE1 TYR 23 167.025 0.695 12.172 173 HE2 TYR 23 HE2 TYR 23 163.323 0.572 10.054 174 HH TYR 23 HH TYR 23 163.647 0.755 12.484 175 H GLY 24 HN GLY 24 165.253 -1.925 6.180 176 HA2 GLY 24 HA2 GLY 24 163.221 -3.521 7.606 177 HA3 GLY 24 HA1 GLY 24 162.876 -2.116 6.608 178 H ASP 25 HN ASP 25 162.252 -2.453 4.574 179 HA ASP 25 HA ASP 25 162.348 -5.191 3.552 180 HB2 ASP 25 HB2 ASP 25 160.798 -2.783 2.576 181 HB3 ASP 25 HB1 ASP 25 160.678 -4.408 1.910 182 H GLY 26 HN GLY 26 164.626 -3.175 3.544 183 HA2 GLY 26 HA2 GLY 26 166.442 -2.930 2.132 184 HA3 GLY 26 HA1 GLY 26 165.552 -3.802 0.894 185 H LYS 27 HN LYS 27 164.195 -1.005 2.467 186 HA LYS 27 HA LYS 27 164.106 0.367 -0.094 187 HB2 LYS 27 HB2 LYS 27 162.899 1.101 2.580 188 HB3 LYS 27 HB1 LYS 27 162.618 1.957 1.070 189 HG2 LYS 27 HG2 LYS 27 161.867 -0.902 1.641 190 HG3 LYS 27 HG1 LYS 27 160.766 0.477 1.610 191 HD2 LYS 27 HD2 LYS 27 161.293 0.842 -0.752 192 HD3 LYS 27 HD1 LYS 27 162.400 -0.532 -0.720 193 HE2 LYS 27 HE2 LYS 27 160.534 -2.016 -0.163 194 HE3 LYS 27 HE1 LYS 27 159.431 -0.641 -0.200 195 HZ1 LYS 27 HZ1 LYS 27 159.355 -1.885 -2.265 196 HZ2 LYS 27 HZ2 LYS 27 161.013 -1.650 -2.502 197 HZ3 LYS 27 HZ3 LYS 27 159.958 -0.328 -2.538 198 H TRP 28 HN TRP 28 165.506 0.773 3.113 199 HA TRP 28 HA TRP 28 166.509 3.384 2.734 200 HB2 TRP 28 HB2 TRP 28 167.537 1.185 4.542 201 HB3 TRP 28 HB1 TRP 28 167.961 2.890 4.664 202 HD1 TRP 28 HD1 TRP 28 165.065 0.470 5.316 203 HE1 TRP 28 HE1 TRP 28 163.362 1.625 6.862 204 HE3 TRP 28 HE3 TRP 28 167.085 5.166 5.382 205 HZ2 TRP 28 HZ2 TRP 28 162.933 4.188 7.966 206 HZ3 TRP 28 HZ3 TRP 28 165.966 6.912 6.708 207 HH2 TRP 28 HH2 TRP 28 163.934 6.431 7.972 208 H VAL 29 HN VAL 29 168.101 4.080 1.476 209 HA VAL 29 HA VAL 29 170.259 2.209 0.763 210 HB VAL 29 HB VAL 29 170.345 3.191 -1.494 211 HG11 VAL 29 HG11 VAL 29 167.658 2.035 -0.757 212 HG12 VAL 29 HG12 VAL 29 169.117 1.120 -1.138 213 HG13 VAL 29 HG13 VAL 29 168.339 2.098 -2.382 214 HG21 VAL 29 HG21 VAL 29 169.358 5.363 -1.003 215 HG22 VAL 29 HG22 VAL 29 167.804 4.598 -0.674 216 HG23 VAL 29 HG23 VAL 29 168.478 4.561 -2.304 217 H ALA 30 HN ALA 30 172.270 2.983 0.982 218 HA ALA 30 HA ALA 30 172.570 5.767 1.836 219 HB1 ALA 30 HB1 ALA 30 173.471 3.996 3.289 220 HB2 ALA 30 HB2 ALA 30 174.726 5.094 2.717 221 HB3 ALA 30 HB3 ALA 30 174.553 3.498 1.988 222 H GLN 31 HN GLN 31 174.296 7.079 1.005 223 HA GLN 31 HA GLN 31 175.601 6.241 -1.442 224 HB2 GLN 31 HB2 GLN 31 173.613 8.516 -1.400 225 HB3 GLN 31 HB1 GLN 31 174.764 8.239 -2.700 226 HG2 GLN 31 HG2 GLN 31 173.745 5.992 -3.031 227 HG3 GLN 31 HG1 GLN 31 172.516 6.433 -1.846 228 HE21 GLN 31 HE21 GLN 31 173.759 6.997 -5.040 229 HE22 GLN 31 HE22 GLN 31 172.397 7.876 -5.637 230 H TRP 32 HN TRP 32 177.490 7.297 -1.809 231 HA TRP 32 HA TRP 32 178.073 9.794 -0.454 232 HB2 TRP 32 HB2 TRP 32 180.110 8.911 0.631 233 HB3 TRP 32 HB1 TRP 32 178.646 8.170 1.268 234 HD1 TRP 32 HD1 TRP 32 181.849 7.350 -0.579 235 HE1 TRP 32 HE1 TRP 32 182.051 4.796 -0.827 236 HE3 TRP 32 HE3 TRP 32 177.175 6.007 1.001 237 HZ2 TRP 32 HZ2 TRP 32 180.443 2.514 -0.408 238 HZ3 TRP 32 HZ3 TRP 32 176.586 3.619 1.046 239 HH2 TRP 32 HH2 TRP 32 178.188 1.910 0.356 240 H ASP 33 HN ASP 33 179.611 10.992 -1.483 241 HA ASP 33 HA ASP 33 180.214 10.421 -4.156 242 HB2 ASP 33 HB2 ASP 33 181.582 12.360 -2.278 243 HB3 ASP 33 HB1 ASP 33 181.733 12.364 -4.033 244 H THR 34 HN THR 34 182.137 9.842 -5.195 245 HA THR 34 HA THR 34 184.376 8.913 -3.579 246 HB THR 34 HB THR 34 184.436 6.703 -4.642 247 HG1 THR 34 HG1 THR 34 183.164 6.281 -6.275 248 HG21 THR 34 HG21 THR 34 183.329 6.924 -2.473 249 HG22 THR 34 HG22 THR 34 182.542 5.689 -3.458 250 HG23 THR 34 HG23 THR 34 181.801 7.280 -3.281 251 H ALA 35 HN ALA 35 185.993 7.776 -5.283 252 HA ALA 35 HA ALA 35 186.153 9.581 -7.607 253 HB1 ALA 35 HB1 ALA 35 188.456 8.584 -5.934 254 HB2 ALA 35 HB2 ALA 35 187.783 10.213 -5.892 255 HB3 ALA 35 HB3 ALA 35 188.575 9.625 -7.353 256 H VAL 36 HN VAL 36 185.857 8.445 -9.403 257 HA VAL 36 HA VAL 36 186.872 5.684 -9.517 258 HB VAL 36 HB VAL 36 184.771 6.946 -11.284 259 HG11 VAL 36 HG11 VAL 36 184.300 4.634 -11.953 260 HG12 VAL 36 HG12 VAL 36 185.633 4.075 -10.944 261 HG13 VAL 36 HG13 VAL 36 185.955 5.102 -12.341 262 HG21 VAL 36 HG21 VAL 36 183.152 5.611 -10.006 263 HG22 VAL 36 HG22 VAL 36 183.962 6.811 -8.998 264 HG23 VAL 36 HG23 VAL 36 184.440 5.115 -8.908 265 H PHE 37 HN PHE 37 187.936 4.964 -11.411 266 HA PHE 37 HA PHE 37 188.549 6.656 -13.596 267 HB2 PHE 37 HB2 PHE 37 190.933 7.028 -13.161 268 HB3 PHE 37 HB1 PHE 37 189.941 7.800 -11.929 269 HD1 PHE 37 HD1 PHE 37 192.374 5.189 -12.631 270 HD2 PHE 37 HD2 PHE 37 189.868 6.919 -9.657 271 HE1 PHE 37 HE1 PHE 37 193.641 4.008 -10.883 272 HE2 PHE 37 HE2 PHE 37 191.130 5.742 -7.904 273 HZ PHE 37 HZ PHE 37 193.020 4.285 -8.516 274 H HIS 38 HN HIS 38 189.758 5.597 -15.214 275 HA HIS 38 HA HIS 38 189.666 2.719 -15.017 276 HB2 HIS 38 HB2 HIS 38 188.937 3.856 -17.073 277 HB3 HIS 38 HB1 HIS 38 190.562 4.500 -17.294 278 HD1 HIS 38 HD1 HIS 38 192.271 2.996 -18.394 279 HD2 HIS 38 HD2 HIS 38 188.714 1.037 -17.509 280 HE1 HIS 38 HE1 HIS 38 192.431 0.762 -19.538 281 HE2 HIS 38 HE2 HIS 38 190.268 -0.408 -18.990 282 H THR 39 HN THR 39 191.457 1.325 -15.497 283 HA THR 39 HA THR 39 194.111 2.511 -15.079 284 HB THR 39 HB THR 39 194.727 0.682 -13.549 285 HG1 THR 39 HG1 THR 39 191.966 0.012 -13.784 286 HG21 THR 39 HG21 THR 39 193.968 2.806 -12.608 287 HG22 THR 39 HG22 THR 39 193.468 1.456 -11.589 288 HG23 THR 39 HG23 THR 39 192.299 2.240 -12.652 289 H THR 40 HN THR 40 195.691 1.657 -16.314 290 HA THR 40 HA THR 40 194.928 -0.429 -18.207 291 HB THR 40 HB THR 40 196.985 0.180 -19.417 292 HG1 THR 40 HG1 THR 40 197.293 2.169 -17.396 293 HG21 THR 40 HG21 THR 40 194.917 1.376 -19.926 294 HG22 THR 40 HG22 THR 40 196.312 2.444 -20.087 295 HG23 THR 40 HG23 THR 40 195.276 2.554 -18.663 296 H1 ALA 1 HT1 ALA 1 199.823 -2.576 0.708 297 H2 ALA 1 HT2 ALA 1 198.624 -2.389 1.887 298 H3 ALA 1 HT3 ALA 1 198.333 -1.884 0.299 299 HA ALA 1 HA ALA 1 198.452 -4.146 -0.490 300 HB1 ALA 1 HB1 ALA 1 200.046 -4.959 1.178 301 HB2 ALA 1 HB2 ALA 1 198.623 -5.996 1.080 302 HB3 ALA 1 HB3 ALA 1 198.796 -4.861 2.419 303 HA PRO 2 HA PRO 2 194.107 -3.040 0.460 304 HB2 PRO 2 HB2 PRO 2 193.786 -4.733 -1.963 305 HB3 PRO 2 HB1 PRO 2 193.106 -3.140 -1.604 306 HG2 PRO 2 HG2 PRO 2 195.105 -3.391 -3.333 307 HG3 PRO 2 HG1 PRO 2 195.023 -2.015 -2.215 308 HD2 PRO 2 HD2 PRO 2 196.753 -4.438 -2.098 309 HD3 PRO 2 HD1 PRO 2 197.119 -2.762 -1.640 310 H VAL 3 HN VAL 3 192.954 -4.174 1.880 311 HA VAL 3 HA VAL 3 193.145 -7.111 1.821 312 HB VAL 3 HB VAL 3 192.490 -7.063 4.198 313 HG11 VAL 3 HG11 VAL 3 194.848 -7.132 3.604 314 HG12 VAL 3 HG12 VAL 3 194.607 -6.187 5.074 315 HG13 VAL 3 HG13 VAL 3 194.897 -5.370 3.538 316 HG21 VAL 3 HG21 VAL 3 192.654 -4.072 3.852 317 HG22 VAL 3 HG22 VAL 3 192.572 -4.898 5.408 318 HG23 VAL 3 HG23 VAL 3 191.226 -5.015 4.276 319 HA PRO 4 HA PRO 4 188.881 -7.122 0.476 320 HB2 PRO 4 HB2 PRO 4 188.904 -9.854 1.635 321 HB3 PRO 4 HB1 PRO 4 188.485 -9.327 -0.001 322 HG2 PRO 4 HG2 PRO 4 190.776 -10.591 0.466 323 HG3 PRO 4 HG1 PRO 4 190.677 -9.264 -0.709 324 HD2 PRO 4 HD2 PRO 4 191.787 -9.250 2.061 325 HD3 PRO 4 HD1 PRO 4 192.368 -8.419 0.603 326 H VAL 5 HN VAL 5 186.814 -7.090 1.398 327 HA VAL 5 HA VAL 5 186.803 -6.746 4.299 328 HB VAL 5 HB VAL 5 184.649 -6.101 2.278 329 HG11 VAL 5 HG11 VAL 5 183.620 -4.812 4.075 330 HG12 VAL 5 HG12 VAL 5 184.889 -5.328 5.185 331 HG13 VAL 5 HG13 VAL 5 183.762 -6.512 4.523 332 HG21 VAL 5 HG21 VAL 5 185.326 -3.765 2.615 333 HG22 VAL 5 HG22 VAL 5 186.629 -4.737 1.933 334 HG23 VAL 5 HG23 VAL 5 186.653 -4.306 3.642 335 H THR 6 HN THR 6 186.154 -8.338 5.578 336 HA THR 6 HA THR 6 184.852 -10.674 4.520 337 HB THR 6 HB THR 6 184.932 -11.524 6.833 338 HG1 THR 6 HG1 THR 6 186.123 -9.010 7.465 339 HG21 THR 6 HG21 THR 6 187.377 -11.550 7.085 340 HG22 THR 6 HG22 THR 6 187.507 -10.232 5.922 341 HG23 THR 6 HG23 THR 6 186.895 -11.804 5.408 342 H LYS 7 HN LYS 7 183.928 -7.849 6.359 343 HA LYS 7 HA LYS 7 181.126 -8.493 5.938 344 HB2 LYS 7 HB2 LYS 7 181.871 -9.441 8.193 345 HB3 LYS 7 HB1 LYS 7 182.065 -7.772 8.711 346 HG2 LYS 7 HG2 LYS 7 179.711 -7.346 8.300 347 HG3 LYS 7 HG1 LYS 7 179.502 -8.995 7.712 348 HD2 LYS 7 HD2 LYS 7 180.226 -9.824 9.939 349 HD3 LYS 7 HD1 LYS 7 180.275 -8.153 10.503 350 HE2 LYS 7 HE2 LYS 7 177.888 -7.922 9.990 351 HE3 LYS 7 HE1 LYS 7 177.847 -9.600 9.450 352 HZ1 LYS 7 HZ1 LYS 7 178.509 -8.689 12.199 353 HZ2 LYS 7 HZ2 LYS 7 178.450 -10.298 11.679 354 HZ3 LYS 7 HZ3 LYS 7 177.037 -9.370 11.715 355 H LEU 8 HN LEU 8 179.944 -6.699 5.525 356 HA LEU 8 HA LEU 8 181.154 -4.089 6.158 357 HB2 LEU 8 HB2 LEU 8 181.320 -4.886 3.719 358 HB3 LEU 8 HB1 LEU 8 179.590 -4.614 3.645 359 HG LEU 8 HG LEU 8 180.815 -2.724 2.719 360 HD11 LEU 8 HD11 LEU 8 179.700 -0.973 3.873 361 HD12 LEU 8 HD12 LEU 8 179.619 -1.918 5.358 362 HD13 LEU 8 HD13 LEU 8 178.664 -2.397 3.955 363 HD21 LEU 8 HD21 LEU 8 182.873 -2.969 4.014 364 HD22 LEU 8 HD22 LEU 8 182.022 -2.446 5.467 365 HD23 LEU 8 HD23 LEU 8 182.235 -1.329 4.120 366 H VAL 9 HN VAL 9 179.880 -3.110 7.582 367 HA VAL 9 HA VAL 9 176.960 -3.386 7.287 368 HB VAL 9 HB VAL 9 176.789 -2.832 9.686 369 HG11 VAL 9 HG11 VAL 9 177.594 -4.972 10.547 370 HG12 VAL 9 HG12 VAL 9 178.578 -5.188 9.099 371 HG13 VAL 9 HG13 VAL 9 176.819 -5.166 8.974 372 HG21 VAL 9 HG21 VAL 9 179.802 -2.992 9.632 373 HG22 VAL 9 HG22 VAL 9 178.811 -2.897 11.087 374 HG23 VAL 9 HG23 VAL 9 178.833 -1.552 9.947 375 H CYS 10 HN CYS 10 175.749 -1.464 8.246 376 HA CYS 10 HA CYS 10 177.156 1.068 7.807 377 HB2 CYS 10 HB2 CYS 10 176.060 0.516 5.682 378 HB3 CYS 10 HB1 CYS 10 174.520 0.333 6.515 379 HG CYS 10 HG CYS 10 174.942 2.807 4.951 380 H ASP 11 HN ASP 11 176.726 2.509 9.350 381 HA ASP 11 HA ASP 11 174.594 1.911 11.253 382 HB2 ASP 11 HB2 ASP 11 176.844 3.931 11.396 383 HB3 ASP 11 HB1 ASP 11 175.698 3.587 12.689 384 H GLY 12 HN GLY 12 172.672 2.788 10.884 385 HA2 GLY 12 HA2 GLY 12 172.374 5.144 9.247 386 HA3 GLY 12 HA1 GLY 12 171.080 4.222 9.996 387 H ASP 13 HN ASP 13 172.677 4.523 12.616 388 HA ASP 13 HA ASP 13 171.182 6.596 13.720 389 HB2 ASP 13 HB2 ASP 13 173.814 5.456 14.688 390 HB3 ASP 13 HB1 ASP 13 172.712 6.433 15.654 391 H THR 14 HN THR 14 174.440 6.607 12.363 392 HA THR 14 HA THR 14 174.382 9.549 12.459 393 HB THR 14 HB THR 14 176.817 9.573 12.800 394 HG1 THR 14 HG1 THR 14 176.495 6.753 13.076 395 HG21 THR 14 HG21 THR 14 175.347 9.738 14.747 396 HG22 THR 14 HG22 THR 14 176.829 8.871 15.150 397 HG23 THR 14 HG23 THR 14 175.329 7.980 14.890 398 H TYR 15 HN TYR 15 173.979 7.217 10.396 399 HA TYR 15 HA TYR 15 174.281 6.934 8.161 400 HB2 TYR 15 HB2 TYR 15 175.389 9.747 8.211 401 HB3 TYR 15 HB1 TYR 15 174.752 8.890 6.811 402 HD1 TYR 15 HD1 TYR 15 173.984 11.071 9.520 403 HD2 TYR 15 HD2 TYR 15 172.272 8.206 6.883 404 HE1 TYR 15 HE1 TYR 15 171.749 11.979 9.995 405 HE2 TYR 15 HE2 TYR 15 170.032 9.107 7.349 406 HH TYR 15 HH TYR 15 168.890 10.380 9.116 407 H LYS 16 HN LYS 16 176.541 6.505 10.162 408 HA LYS 16 HA LYS 16 178.870 6.805 8.430 409 HB2 LYS 16 HB2 LYS 16 178.598 5.893 11.296 410 HB3 LYS 16 HB1 LYS 16 180.124 5.945 10.425 411 HG2 LYS 16 HG2 LYS 16 179.824 8.374 10.107 412 HG3 LYS 16 HG1 LYS 16 178.348 8.289 11.072 413 HD2 LYS 16 HD2 LYS 16 179.614 7.519 12.993 414 HD3 LYS 16 HD1 LYS 16 181.095 7.488 12.033 415 HE2 LYS 16 HE2 LYS 16 181.016 9.486 13.412 416 HE3 LYS 16 HE1 LYS 16 180.924 9.910 11.703 417 HZ1 LYS 16 HZ1 LYS 16 178.521 10.141 11.939 418 HZ2 LYS 16 HZ2 LYS 16 179.340 11.180 12.994 419 HZ3 LYS 16 HZ3 LYS 16 178.631 9.763 13.585 420 H CYS 17 HN CYS 17 179.616 5.209 7.208 421 HA CYS 17 HA CYS 17 178.458 2.545 7.507 422 HB2 CYS 17 HB2 CYS 17 178.412 3.570 5.277 423 HB3 CYS 17 HB1 CYS 17 180.168 3.712 5.299 424 HG CYS 17 HG CYS 17 180.657 0.991 5.205 425 H THR 18 HN THR 18 179.507 1.099 8.690 426 HA THR 18 HA THR 18 182.386 1.382 9.106 427 HB THR 18 HB THR 18 180.446 -0.505 10.459 428 HG1 THR 18 HG1 THR 18 180.788 1.059 12.226 429 HG21 THR 18 HG21 THR 18 182.736 -1.314 10.560 430 HG22 THR 18 HG22 THR 18 182.241 -0.718 12.144 431 HG23 THR 18 HG23 THR 18 183.292 0.262 11.123 432 H ALA 19 HN ALA 19 183.812 -0.432 8.902 433 HA ALA 19 HA ALA 19 182.852 -2.679 7.298 434 HB1 ALA 19 HB1 ALA 19 184.557 -2.424 5.616 435 HB2 ALA 19 HB2 ALA 19 185.217 -1.015 6.446 436 HB3 ALA 19 HB3 ALA 19 183.616 -0.935 5.711 437 H TYR 20 HN TYR 20 184.019 -4.558 7.550 438 HA TYR 20 HA TYR 20 186.034 -4.499 9.685 439 HB2 TYR 20 HB2 TYR 20 184.328 -6.776 8.656 440 HB3 TYR 20 HB1 TYR 20 185.537 -6.924 9.927 441 HD1 TYR 20 HD1 TYR 20 182.201 -5.706 9.074 442 HD2 TYR 20 HD2 TYR 20 185.147 -5.949 12.135 443 HE1 TYR 20 HE1 TYR 20 180.508 -5.083 10.745 444 HE2 TYR 20 HE2 TYR 20 183.461 -5.328 13.814 445 HH TYR 20 HH TYR 20 180.132 -5.318 13.162 446 H LEU 21 HN LEU 21 188.057 -4.496 8.974 447 HA LEU 21 HA LEU 21 188.745 -5.553 6.377 448 HB2 LEU 21 HB2 LEU 21 190.501 -4.389 8.540 449 HB3 LEU 21 HB1 LEU 21 191.009 -4.757 6.902 450 HG LEU 21 HG LEU 21 188.984 -2.668 7.708 451 HD11 LEU 21 HD11 LEU 21 190.651 -1.087 6.875 452 HD12 LEU 21 HD12 LEU 21 191.764 -2.421 6.568 453 HD13 LEU 21 HD13 LEU 21 191.280 -2.040 8.220 454 HD21 LEU 21 HD21 LEU 21 188.383 -3.690 5.582 455 HD22 LEU 21 HD22 LEU 21 190.020 -3.427 4.979 456 HD23 LEU 21 HD23 LEU 21 188.981 -2.049 5.339 457 H ASP 22 HN ASP 22 190.387 -7.147 6.017 458 HA ASP 22 HA ASP 22 190.397 -9.215 8.102 459 HB2 ASP 22 HB2 ASP 22 189.459 -9.827 5.884 460 HB3 ASP 22 HB1 ASP 22 191.023 -9.480 5.153 461 H TYR 23 HN TYR 23 192.193 -6.841 7.959 462 HA TYR 23 HA TYR 23 194.755 -7.491 7.081 463 HB2 TYR 23 HB2 TYR 23 194.082 -5.229 7.785 464 HB3 TYR 23 HB1 TYR 23 193.981 -5.779 9.453 465 HD1 TYR 23 HD1 TYR 23 196.209 -4.795 6.741 466 HD2 TYR 23 HD2 TYR 23 196.018 -6.293 10.719 467 HE1 TYR 23 HE1 TYR 23 198.584 -4.242 7.057 468 HE2 TYR 23 HE2 TYR 23 198.392 -5.743 11.046 469 HH TYR 23 HH TYR 23 200.406 -5.387 9.680 470 H GLY 24 HN GLY 24 193.744 -7.493 10.505 471 HA2 GLY 24 HA2 GLY 24 195.685 -9.669 10.958 472 HA3 GLY 24 HA1 GLY 24 195.174 -8.510 12.176 473 H ASP 25 HN ASP 25 193.621 -9.106 13.547 474 HA ASP 25 HA ASP 25 192.275 -11.656 13.059 475 HB2 ASP 25 HB2 ASP 25 192.481 -9.991 15.579 476 HB3 ASP 25 HB1 ASP 25 191.710 -11.571 15.463 477 H GLY 26 HN GLY 26 191.530 -8.958 11.868 478 HA2 GLY 26 HA2 GLY 26 189.499 -8.121 11.142 479 HA3 GLY 26 HA1 GLY 26 188.689 -9.289 12.174 480 H LYS 27 HN LYS 27 191.101 -7.120 13.444 481 HA LYS 27 HA LYS 27 189.095 -5.944 15.190 482 HB2 LYS 27 HB2 LYS 27 192.102 -5.615 15.136 483 HB3 LYS 27 HB1 LYS 27 191.030 -4.960 16.367 484 HG2 LYS 27 HG2 LYS 27 191.452 -7.881 15.770 485 HG3 LYS 27 HG1 LYS 27 192.129 -6.990 17.134 486 HD2 LYS 27 HD2 LYS 27 189.869 -6.527 17.953 487 HD3 LYS 27 HD1 LYS 27 189.191 -7.412 16.585 488 HE2 LYS 27 HE2 LYS 27 190.309 -9.449 17.354 489 HE3 LYS 27 HE1 LYS 27 190.983 -8.563 18.721 490 HZ1 LYS 27 HZ1 LYS 27 189.021 -9.810 19.361 491 HZ2 LYS 27 HZ2 LYS 27 188.092 -9.003 18.201 492 HZ3 LYS 27 HZ3 LYS 27 188.736 -8.149 19.511 493 H TRP 28 HN TRP 28 191.334 -4.972 12.648 494 HA TRP 28 HA TRP 28 190.931 -2.187 12.868 495 HB2 TRP 28 HB2 TRP 28 191.724 -3.819 10.446 496 HB3 TRP 28 HB1 TRP 28 191.891 -2.073 10.600 497 HD1 TRP 28 HD1 TRP 28 193.425 -5.349 11.858 498 HE1 TRP 28 HE1 TRP 28 195.728 -4.836 12.883 499 HE3 TRP 28 HE3 TRP 28 193.257 -0.242 11.717 500 HZ2 TRP 28 HZ2 TRP 28 197.271 -2.567 13.546 501 HZ3 TRP 28 HZ3 TRP 28 195.189 1.025 12.568 502 HH2 TRP 28 HH2 TRP 28 197.152 -0.116 13.463 503 H VAL 29 HN VAL 29 189.205 -1.004 12.399 504 HA VAL 29 HA VAL 29 187.318 -1.996 10.368 505 HB VAL 29 HB VAL 29 185.444 -1.114 11.699 506 HG11 VAL 29 HG11 VAL 29 187.143 -3.135 13.158 507 HG12 VAL 29 HG12 VAL 29 186.009 -3.477 11.852 508 HG13 VAL 29 HG13 VAL 29 185.416 -2.879 13.401 509 HG21 VAL 29 HG21 VAL 29 186.646 0.573 12.980 510 HG22 VAL 29 HG22 VAL 29 187.528 -0.689 13.840 511 HG23 VAL 29 HG23 VAL 29 185.785 -0.527 14.056 512 H ALA 30 HN ALA 30 186.710 -0.547 8.879 513 HA ALA 30 HA ALA 30 187.735 2.182 9.137 514 HB1 ALA 30 HB1 ALA 30 188.339 0.894 7.129 515 HB2 ALA 30 HB2 ALA 30 187.427 2.353 6.738 516 HB3 ALA 30 HB3 ALA 30 186.630 0.779 6.706 517 H GLN 31 HN GLN 31 186.413 4.001 8.557 518 HA GLN 31 HA GLN 31 183.547 3.617 8.389 519 HB2 GLN 31 HB2 GLN 31 184.825 5.028 10.735 520 HB3 GLN 31 HB1 GLN 31 183.119 5.144 10.327 521 HG2 GLN 31 HG2 GLN 31 182.960 2.674 10.579 522 HG3 GLN 31 HG1 GLN 31 184.625 2.679 11.160 523 HE21 GLN 31 HE21 GLN 31 181.339 3.558 11.857 524 HE22 GLN 31 HE22 GLN 31 181.564 3.873 13.541 525 H TRP 32 HN TRP 32 182.520 5.267 7.369 526 HA TRP 32 HA TRP 32 183.813 7.846 7.065 527 HB2 TRP 32 HB2 TRP 32 183.708 7.782 4.596 528 HB3 TRP 32 HB1 TRP 32 184.824 6.585 5.244 529 HD1 TRP 32 HD1 TRP 32 181.623 6.914 3.246 530 HE1 TRP 32 HE1 TRP 32 180.936 4.595 2.363 531 HE3 TRP 32 HE3 TRP 32 184.940 4.032 5.861 532 HZ2 TRP 32 HZ2 TRP 32 181.699 1.902 2.727 533 HZ3 TRP 32 HZ3 TRP 32 184.895 1.594 5.537 534 HH2 TRP 32 HH2 TRP 32 183.307 0.552 4.002 535 H ASP 33 HN ASP 33 182.387 9.485 6.696 536 HA ASP 33 HA ASP 33 179.682 9.091 7.294 537 HB2 ASP 33 HB2 ASP 33 180.993 11.445 5.916 538 HB3 ASP 33 HB1 ASP 33 179.385 11.452 6.633 539 H THR 34 HN THR 34 177.809 9.210 6.034 540 HA THR 34 HA THR 34 178.070 9.191 3.133 541 HB THR 34 HB THR 34 176.783 7.119 2.868 542 HG1 THR 34 HG1 THR 34 175.866 6.224 4.547 543 HG21 THR 34 HG21 THR 34 179.224 6.992 2.807 544 HG22 THR 34 HG22 THR 34 178.537 5.530 3.513 545 HG23 THR 34 HG23 THR 34 179.263 6.756 4.554 546 H ALA 35 HN ALA 35 175.670 8.662 2.256 547 HA ALA 35 HA ALA 35 173.823 10.337 3.827 548 HB1 ALA 35 HB1 ALA 35 174.095 10.279 0.824 549 HB2 ALA 35 HB2 ALA 35 174.680 11.559 1.886 550 HB3 ALA 35 HB3 ALA 35 172.950 11.252 1.747 551 H VAL 36 HN VAL 36 172.213 9.119 4.556 552 HA VAL 36 HA VAL 36 171.243 6.902 2.877 553 HB VAL 36 HB VAL 36 170.835 7.276 5.848 554 HG11 VAL 36 HG11 VAL 36 170.120 4.932 5.795 555 HG12 VAL 36 HG12 VAL 36 170.316 4.916 4.042 556 HG13 VAL 36 HG13 VAL 36 169.094 5.949 4.784 557 HG21 VAL 36 HG21 VAL 36 172.497 5.487 6.120 558 HG22 VAL 36 HG22 VAL 36 173.190 6.925 5.371 559 HG23 VAL 36 HG23 VAL 36 172.800 5.518 4.383 560 H PHE 37 HN PHE 37 168.989 6.557 2.680 561 HA PHE 37 HA PHE 37 167.041 8.292 3.779 562 HB2 PHE 37 HB2 PHE 37 166.392 9.507 1.750 563 HB3 PHE 37 HB1 PHE 37 168.040 9.907 2.223 564 HD1 PHE 37 HD1 PHE 37 165.930 8.322 -0.281 565 HD2 PHE 37 HD2 PHE 37 169.938 9.123 0.907 566 HE1 PHE 37 HE1 PHE 37 166.714 7.724 -2.535 567 HE2 PHE 37 HE2 PHE 37 170.728 8.527 -1.344 568 HZ PHE 37 HZ PHE 37 169.116 7.826 -3.070 569 H HIS 38 HN HIS 38 164.915 7.692 3.220 570 HA HIS 38 HA HIS 38 164.704 4.978 2.258 571 HB2 HIS 38 HB2 HIS 38 163.398 5.721 4.206 572 HB3 HIS 38 HB1 HIS 38 162.559 6.896 3.200 573 HD1 HIS 38 HD1 HIS 38 160.593 6.072 1.839 574 HD2 HIS 38 HD2 HIS 38 162.700 2.997 3.673 575 HE1 HIS 38 HE1 HIS 38 159.185 4.012 1.523 576 HE2 HIS 38 HE2 HIS 38 160.480 2.162 2.642 577 H THR 39 HN THR 39 163.261 4.304 0.570 578 HA THR 39 HA THR 39 162.593 6.373 -1.404 579 HB THR 39 HB THR 39 163.387 4.933 -3.236 580 HG1 THR 39 HG1 THR 39 164.338 3.312 -1.094 581 HG21 THR 39 HG21 THR 39 164.872 6.670 -2.372 582 HG22 THR 39 HG22 THR 39 165.795 5.261 -2.893 583 HG23 THR 39 HG23 THR 39 165.510 5.542 -1.175 584 H THR 40 HN THR 40 160.665 6.109 -2.380 585 HA THR 40 HA THR 40 159.041 3.834 -1.539 586 HB THR 40 HB THR 40 157.131 5.104 -2.438 587 HG1 THR 40 HG1 THR 40 159.060 7.129 -3.002 588 HG21 THR 40 HG21 THR 40 157.804 5.466 -0.116 589 HG22 THR 40 HG22 THR 40 157.186 6.957 -0.827 590 HG23 THR 40 HG23 THR 40 158.923 6.729 -0.627 591 H1 ALA 1 HT1 ALA 1 173.102 4.126 -15.269 592 H2 ALA 1 HT2 ALA 1 174.711 3.906 -14.795 593 H3 ALA 1 HT3 ALA 1 173.524 4.227 -13.633 594 HA ALA 1 HA ALA 1 172.442 2.135 -14.093 595 HB1 ALA 1 HB1 ALA 1 173.061 1.996 -16.457 596 HB2 ALA 1 HB2 ALA 1 173.469 0.515 -15.589 597 HB3 ALA 1 HB3 ALA 1 174.734 1.676 -15.999 598 HA PRO 2 HA PRO 2 175.418 1.639 -10.644 599 HB2 PRO 2 HB2 PRO 2 173.187 -0.126 -9.779 600 HB3 PRO 2 HB1 PRO 2 174.047 1.127 -8.875 601 HG2 PRO 2 HG2 PRO 2 171.582 1.560 -9.760 602 HG3 PRO 2 HG1 PRO 2 172.805 2.846 -9.776 603 HD2 PRO 2 HD2 PRO 2 171.762 1.209 -12.037 604 HD3 PRO 2 HD1 PRO 2 172.245 2.917 -12.004 605 H VAL 3 HN VAL 3 177.023 0.208 -10.754 606 HA VAL 3 HA VAL 3 176.451 -2.465 -11.843 607 HB VAL 3 HB VAL 3 178.843 -2.587 -12.431 608 HG11 VAL 3 HG11 VAL 3 177.237 -1.823 -14.091 609 HG12 VAL 3 HG12 VAL 3 178.777 -0.986 -14.287 610 HG13 VAL 3 HG13 VAL 3 177.417 -0.163 -13.522 611 HG21 VAL 3 HG21 VAL 3 178.906 0.254 -11.420 612 HG22 VAL 3 HG22 VAL 3 180.187 -0.502 -12.368 613 HG23 VAL 3 HG23 VAL 3 179.790 -1.126 -10.767 614 HA PRO 4 HA PRO 4 177.210 -4.041 -7.729 615 HB2 PRO 4 HB2 PRO 4 177.812 -6.549 -9.196 616 HB3 PRO 4 HB1 PRO 4 176.644 -6.255 -7.900 617 HG2 PRO 4 HG2 PRO 4 175.827 -6.601 -10.406 618 HG3 PRO 4 HG1 PRO 4 175.035 -5.432 -9.329 619 HD2 PRO 4 HD2 PRO 4 176.963 -4.942 -11.553 620 HD3 PRO 4 HD1 PRO 4 175.541 -4.000 -11.058 621 H VAL 5 HN VAL 5 178.964 -4.726 -6.474 622 HA VAL 5 HA VAL 5 181.567 -4.325 -7.739 623 HB VAL 5 HB VAL 5 180.870 -4.552 -4.806 624 HG11 VAL 5 HG11 VAL 5 183.106 -3.667 -4.404 625 HG12 VAL 5 HG12 VAL 5 183.426 -3.662 -6.139 626 HG13 VAL 5 HG13 VAL 5 183.183 -5.189 -5.292 627 HG21 VAL 5 HG21 VAL 5 181.202 -2.121 -4.754 628 HG22 VAL 5 HG22 VAL 5 179.865 -2.580 -5.810 629 HG23 VAL 5 HG23 VAL 5 181.420 -2.121 -6.504 630 H THR 6 HN THR 6 182.750 -6.006 -8.343 631 HA THR 6 HA THR 6 182.070 -8.684 -7.542 632 HB THR 6 HB THR 6 183.938 -9.381 -8.991 633 HG1 THR 6 HG1 THR 6 184.323 -6.591 -9.439 634 HG21 THR 6 HG21 THR 6 183.041 -8.523 -11.113 635 HG22 THR 6 HG22 THR 6 182.156 -7.279 -10.230 636 HG23 THR 6 HG23 THR 6 181.751 -8.980 -10.000 637 H LYS 7 HN LYS 7 184.522 -6.325 -6.742 638 HA LYS 7 HA LYS 7 185.334 -7.942 -4.467 639 HB2 LYS 7 HB2 LYS 7 186.835 -8.495 -6.462 640 HB3 LYS 7 HB1 LYS 7 187.448 -6.854 -6.323 641 HG2 LYS 7 HG2 LYS 7 188.221 -7.310 -4.068 642 HG3 LYS 7 HG1 LYS 7 187.556 -8.943 -4.156 643 HD2 LYS 7 HD2 LYS 7 189.060 -9.392 -6.082 644 HD3 LYS 7 HD1 LYS 7 189.780 -7.798 -5.844 645 HE2 LYS 7 HE2 LYS 7 190.450 -8.453 -3.577 646 HE3 LYS 7 HE1 LYS 7 189.747 -10.048 -3.836 647 HZ1 LYS 7 HZ1 LYS 7 191.994 -8.882 -5.391 648 HZ2 LYS 7 HZ2 LYS 7 191.326 -10.420 -5.622 649 HZ3 LYS 7 HZ3 LYS 7 192.139 -10.059 -4.183 650 H LEU 8 HN LEU 8 185.773 -6.704 -2.720 651 HA LEU 8 HA LEU 8 186.165 -3.816 -3.153 652 HB2 LEU 8 HB2 LEU 8 183.830 -4.570 -2.384 653 HB3 LEU 8 HB1 LEU 8 184.592 -4.937 -0.850 654 HG LEU 8 HG LEU 8 183.500 -2.762 -0.786 655 HD11 LEU 8 HD11 LEU 8 185.280 -1.495 0.145 656 HD12 LEU 8 HD12 LEU 8 186.482 -2.363 -0.808 657 HD13 LEU 8 HD13 LEU 8 185.615 -3.192 0.482 658 HD21 LEU 8 HD21 LEU 8 183.665 -2.217 -3.163 659 HD22 LEU 8 HD22 LEU 8 185.405 -1.992 -2.992 660 HD23 LEU 8 HD23 LEU 8 184.290 -0.911 -2.156 661 H VAL 9 HN VAL 9 188.140 -3.317 -2.475 662 HA VAL 9 HA VAL 9 189.170 -4.630 -0.045 663 HB VAL 9 HB VAL 9 191.435 -4.106 -0.870 664 HG11 VAL 9 HG11 VAL 9 191.508 -5.789 -2.639 665 HG12 VAL 9 HG12 VAL 9 189.757 -5.679 -2.818 666 HG13 VAL 9 HG13 VAL 9 190.452 -6.293 -1.318 667 HG21 VAL 9 HG21 VAL 9 189.993 -3.177 -3.351 668 HG22 VAL 9 HG22 VAL 9 191.736 -3.401 -3.209 669 HG23 VAL 9 HG23 VAL 9 190.923 -2.170 -2.241 670 H CYS 10 HN CYS 10 190.847 -3.242 1.114 671 HA CYS 10 HA CYS 10 190.195 -0.388 1.007 672 HB2 CYS 10 HB2 CYS 10 188.747 -1.357 2.735 673 HB3 CYS 10 HB1 CYS 10 190.153 -2.055 3.532 674 HG CYS 10 HG CYS 10 188.952 0.360 4.745 675 H ASP 11 HN ASP 11 191.958 0.846 1.092 676 HA ASP 11 HA ASP 11 194.512 -0.420 1.723 677 HB2 ASP 11 HB2 ASP 11 193.912 2.275 0.483 678 HB3 ASP 11 HB1 ASP 11 195.517 1.580 0.687 679 H GLY 12 HN GLY 12 195.193 -0.301 3.756 680 HA2 GLY 12 HA2 GLY 12 194.240 1.744 5.552 681 HA3 GLY 12 HA1 GLY 12 195.351 0.442 5.947 682 H ASP 13 HN ASP 13 196.967 1.370 3.491 683 HA ASP 13 HA ASP 13 198.924 2.801 4.860 684 HB2 ASP 13 HB2 ASP 13 198.406 2.707 1.880 685 HB3 ASP 13 HB1 ASP 13 199.900 3.252 2.636 686 H THR 14 HN THR 14 196.250 3.939 2.857 687 HA THR 14 HA THR 14 196.796 6.666 3.824 688 HB THR 14 HB THR 14 195.990 7.572 1.684 689 HG1 THR 14 HG1 THR 14 195.963 4.831 0.890 690 HG21 THR 14 HG21 THR 14 198.394 7.253 2.005 691 HG22 THR 14 HG22 THR 14 197.944 6.988 0.320 692 HG23 THR 14 HG23 THR 14 198.267 5.611 1.374 693 H TYR 15 HN TYR 15 194.823 4.287 4.373 694 HA TYR 15 HA TYR 15 192.683 4.066 5.101 695 HB2 TYR 15 HB2 TYR 15 192.637 7.089 5.097 696 HB3 TYR 15 HB1 TYR 15 191.571 6.022 6.004 697 HD1 TYR 15 HD1 TYR 15 194.622 7.860 6.050 698 HD2 TYR 15 HD2 TYR 15 192.663 4.497 7.767 699 HE1 TYR 15 HE1 TYR 15 196.191 7.920 7.942 700 HE2 TYR 15 HE2 TYR 15 194.224 4.549 9.665 701 HH TYR 15 HH TYR 15 196.484 5.378 10.168 702 H LYS 16 HN LYS 16 193.346 4.533 2.165 703 HA LYS 16 HA LYS 16 190.808 5.598 1.191 704 HB2 LYS 16 HB2 LYS 16 193.316 4.732 -0.255 705 HB3 LYS 16 HB1 LYS 16 191.863 5.302 -1.065 706 HG2 LYS 16 HG2 LYS 16 192.079 7.451 0.127 707 HG3 LYS 16 HG1 LYS 16 193.586 6.872 0.840 708 HD2 LYS 16 HD2 LYS 16 194.583 6.661 -1.361 709 HD3 LYS 16 HD1 LYS 16 193.061 7.135 -2.120 710 HE2 LYS 16 HE2 LYS 16 194.602 9.011 -2.061 711 HE3 LYS 16 HE1 LYS 16 193.207 9.325 -1.029 712 HZ1 LYS 16 HZ1 LYS 16 194.543 8.686 0.891 713 HZ2 LYS 16 HZ2 LYS 16 195.249 9.980 0.060 714 HZ3 LYS 16 HZ3 LYS 16 195.882 8.420 -0.108 715 H CYS 17 HN CYS 17 189.160 4.340 0.644 716 HA CYS 17 HA CYS 17 189.556 1.448 0.574 717 HB2 CYS 17 HB2 CYS 17 187.771 2.325 2.011 718 HB3 CYS 17 HB1 CYS 17 187.012 3.087 0.617 719 HG CYS 17 HG CYS 17 186.305 0.720 -0.629 720 H THR 18 HN THR 18 189.903 0.507 -1.321 721 HA THR 18 HA THR 18 189.001 1.815 -3.774 722 HB THR 18 HB THR 18 190.793 -0.602 -3.457 723 HG1 THR 18 HG1 THR 18 192.420 1.031 -4.068 724 HG21 THR 18 HG21 THR 18 189.719 -0.533 -5.636 725 HG22 THR 18 HG22 THR 18 191.424 -0.111 -5.796 726 HG23 THR 18 HG23 THR 18 190.194 1.153 -5.844 727 H ALA 19 HN ALA 19 187.904 0.628 -5.433 728 HA ALA 19 HA ALA 19 186.600 -1.859 -4.620 729 HB1 ALA 19 HB1 ALA 19 184.386 -1.059 -5.122 730 HB2 ALA 19 HB2 ALA 19 185.021 0.517 -5.595 731 HB3 ALA 19 HB3 ALA 19 185.117 -0.003 -3.913 732 H TYR 20 HN TYR 20 186.013 -3.187 -6.307 733 HA TYR 20 HA TYR 20 186.979 -2.349 -8.952 734 HB2 TYR 20 HB2 TYR 20 186.516 -5.114 -7.814 735 HB3 TYR 20 HB1 TYR 20 187.060 -4.784 -9.455 736 HD1 TYR 20 HD1 TYR 20 188.009 -4.866 -5.929 737 HD2 TYR 20 HD2 TYR 20 189.319 -3.951 -9.873 738 HE1 TYR 20 HE1 TYR 20 190.338 -4.842 -5.143 739 HE2 TYR 20 HE2 TYR 20 191.653 -3.926 -9.098 740 HH TYR 20 HH TYR 20 192.599 -5.128 -6.071 741 H LEU 21 HN LEU 21 185.434 -1.642 -10.260 742 HA LEU 21 HA LEU 21 182.684 -2.457 -9.924 743 HB2 LEU 21 HB2 LEU 21 183.956 -0.680 -12.007 744 HB3 LEU 21 HB1 LEU 21 182.232 -0.888 -11.761 745 HG LEU 21 HG LEU 21 184.170 0.359 -9.810 746 HD11 LEU 21 HD11 LEU 21 182.914 2.408 -10.254 747 HD12 LEU 21 HD12 LEU 21 181.940 1.554 -11.449 748 HD13 LEU 21 HD13 LEU 21 183.666 1.783 -11.720 749 HD21 LEU 21 HD21 LEU 21 182.426 -0.870 -8.639 750 HD22 LEU 21 HD22 LEU 21 181.191 -0.056 -9.599 751 HD23 LEU 21 HD23 LEU 21 182.183 0.869 -8.473 752 H ASP 22 HN ASP 22 181.384 -3.367 -11.613 753 HA ASP 22 HA ASP 22 182.905 -5.234 -13.295 754 HB2 ASP 22 HB2 ASP 22 181.294 -6.204 -11.671 755 HB3 ASP 22 HB1 ASP 22 179.991 -5.341 -12.482 756 H TYR 23 HN TYR 23 182.312 -2.378 -13.913 757 HA TYR 23 HA TYR 23 180.280 -2.093 -15.795 758 HB2 TYR 23 HB2 TYR 23 181.537 -0.203 -14.841 759 HB3 TYR 23 HB1 TYR 23 182.967 -0.703 -15.736 760 HD1 TYR 23 HD1 TYR 23 179.717 0.935 -15.933 761 HD2 TYR 23 HD2 TYR 23 183.075 -0.416 -18.169 762 HE1 TYR 23 HE1 TYR 23 178.994 2.310 -17.839 763 HE2 TYR 23 HE2 TYR 23 182.363 0.956 -20.081 764 HH TYR 23 HH TYR 23 180.298 1.970 -20.952 765 H GLY 24 HN GLY 24 183.746 -2.358 -16.607 766 HA2 GLY 24 HA2 GLY 24 182.938 -3.680 -19.117 767 HA3 GLY 24 HA1 GLY 24 184.411 -2.747 -18.905 768 H ASP 25 HN ASP 25 186.234 -3.820 -18.489 769 HA ASP 25 HA ASP 25 186.042 -6.696 -17.995 770 HB2 ASP 25 HB2 ASP 25 188.405 -4.997 -18.820 771 HB3 ASP 25 HB1 ASP 25 188.421 -6.750 -18.655 772 H GLY 26 HN GLY 26 185.733 -4.480 -15.933 773 HA2 GLY 26 HA2 GLY 26 186.144 -4.446 -13.657 774 HA3 GLY 26 HA1 GLY 26 187.247 -5.797 -13.872 775 H LYS 27 HN LYS 27 187.584 -2.872 -15.736 776 HA LYS 27 HA LYS 27 190.204 -2.444 -14.550 777 HB2 LYS 27 HB2 LYS 27 188.837 -1.061 -16.866 778 HB3 LYS 27 HB1 LYS 27 190.502 -0.798 -16.367 779 HG2 LYS 27 HG2 LYS 27 189.355 -3.391 -17.381 780 HG3 LYS 27 HG1 LYS 27 190.374 -2.276 -18.293 781 HD2 LYS 27 HD2 LYS 27 192.191 -2.631 -16.692 782 HD3 LYS 27 HD1 LYS 27 191.168 -3.738 -15.775 783 HE2 LYS 27 HE2 LYS 27 191.033 -5.218 -17.721 784 HE3 LYS 27 HE1 LYS 27 192.058 -4.110 -18.634 785 HZ1 LYS 27 HZ1 LYS 27 193.329 -5.958 -17.749 786 HZ2 LYS 27 HZ2 LYS 27 192.852 -5.571 -16.172 787 HZ3 LYS 27 HZ3 LYS 27 193.836 -4.505 -17.043 788 H TRP 28 HN TRP 28 187.097 -0.808 -14.841 789 HA TRP 28 HA TRP 28 187.885 1.654 -13.705 790 HB2 TRP 28 HB2 TRP 28 185.156 0.346 -13.729 791 HB3 TRP 28 HB1 TRP 28 185.474 2.039 -13.366 792 HD1 TRP 28 HD1 TRP 28 185.395 -0.433 -16.290 793 HE1 TRP 28 HE1 TRP 28 185.322 0.900 -18.491 794 HE3 TRP 28 HE3 TRP 28 186.103 4.270 -14.415 795 HZ2 TRP 28 HZ2 TRP 28 185.537 3.588 -19.322 796 HZ3 TRP 28 HZ3 TRP 28 186.156 6.168 -15.980 797 HH2 TRP 28 HH2 TRP 28 185.880 5.832 -18.382 798 H VAL 29 HN VAL 29 188.434 2.125 -11.686 799 HA VAL 29 HA VAL 29 187.363 0.466 -9.504 800 HB VAL 29 HB VAL 29 189.515 0.655 -8.324 801 HG11 VAL 29 HG11 VAL 29 189.724 -0.579 -11.068 802 HG12 VAL 29 HG12 VAL 29 189.042 -1.342 -9.631 803 HG13 VAL 29 HG13 VAL 29 190.761 -0.953 -9.691 804 HG21 VAL 29 HG21 VAL 29 190.342 2.697 -9.362 805 HG22 VAL 29 HG22 VAL 29 190.509 1.861 -10.906 806 HG23 VAL 29 HG23 VAL 29 191.516 1.393 -9.536 807 H ALA 30 HN ALA 30 186.546 1.557 -7.821 808 HA ALA 30 HA ALA 30 186.711 4.478 -7.887 809 HB1 ALA 30 HB1 ALA 30 184.481 3.435 -7.840 810 HB2 ALA 30 HB2 ALA 30 184.770 4.460 -6.434 811 HB3 ALA 30 HB3 ALA 30 184.871 2.705 -6.283 812 H GLN 31 HN GLN 31 187.072 5.686 -5.936 813 HA GLN 31 HA GLN 31 188.172 4.296 -3.646 814 HB2 GLN 31 HB2 GLN 31 189.857 6.139 -5.346 815 HB3 GLN 31 HB1 GLN 31 190.294 5.624 -3.722 816 HG2 GLN 31 HG2 GLN 31 190.223 3.270 -4.523 817 HG3 GLN 31 HG1 GLN 31 189.975 3.887 -6.155 818 HE21 GLN 31 HE21 GLN 31 192.214 3.550 -3.522 819 HE22 GLN 31 HE22 GLN 31 193.636 3.974 -4.406 820 H TRP 32 HN TRP 32 187.989 5.440 -1.780 821 HA TRP 32 HA TRP 32 187.514 8.301 -1.845 822 HB2 TRP 32 HB2 TRP 32 185.385 8.132 -0.600 823 HB3 TRP 32 HB1 TRP 32 185.268 7.433 -2.212 824 HD1 TRP 32 HD1 TRP 32 185.020 6.536 1.460 825 HE1 TRP 32 HE1 TRP 32 184.214 4.102 1.682 826 HE3 TRP 32 HE3 TRP 32 185.380 5.111 -3.437 827 HZ2 TRP 32 HZ2 TRP 32 183.790 1.872 0.005 828 HZ3 TRP 32 HZ3 TRP 32 184.756 2.810 -4.044 829 HH2 TRP 32 HH2 TRP 32 183.978 1.224 -2.357 830 H ASP 33 HN ASP 33 188.081 9.309 0.032 831 HA ASP 33 HA ASP 33 189.780 7.989 1.822 832 HB2 ASP 33 HB2 ASP 33 188.321 10.615 2.182 833 HB3 ASP 33 HB1 ASP 33 189.685 10.067 3.152 834 H THR 34 HN THR 34 189.545 7.394 3.989 835 HA THR 34 HA THR 34 186.876 7.386 5.156 836 HB THR 34 HB THR 34 186.923 4.984 5.654 837 HG1 THR 34 HG1 THR 34 188.682 3.868 5.306 838 HG21 THR 34 HG21 THR 34 185.739 5.737 3.652 839 HG22 THR 34 HG22 THR 34 186.456 4.147 3.396 840 HG23 THR 34 HG23 THR 34 187.219 5.580 2.708 841 H ALA 35 HN ALA 35 187.120 6.007 7.358 842 HA ALA 35 HA ALA 35 189.589 6.954 8.661 843 HB1 ALA 35 HB1 ALA 35 186.819 6.911 9.855 844 HB2 ALA 35 HB2 ALA 35 187.675 8.346 9.290 845 HB3 ALA 35 HB3 ALA 35 188.295 7.435 10.667 846 H VAL 36 HN VAL 36 190.780 5.261 9.227 847 HA VAL 36 HA VAL 36 189.422 2.797 10.093 848 HB VAL 36 HB VAL 36 192.270 3.085 9.130 849 HG11 VAL 36 HG11 VAL 36 192.203 0.640 8.969 850 HG12 VAL 36 HG12 VAL 36 190.573 0.645 9.642 851 HG13 VAL 36 HG13 VAL 36 191.933 1.192 10.621 852 HG21 VAL 36 HG21 VAL 36 191.488 2.019 7.058 853 HG22 VAL 36 HG22 VAL 36 190.727 3.588 7.322 854 HG23 VAL 36 HG23 VAL 36 189.830 2.106 7.651 855 H PHE 37 HN PHE 37 190.224 1.662 11.912 856 HA PHE 37 HA PHE 37 192.332 2.615 13.543 857 HB2 PHE 37 HB2 PHE 37 191.026 3.458 15.438 858 HB3 PHE 37 HB1 PHE 37 190.749 4.435 14.000 859 HD1 PHE 37 HD1 PHE 37 189.278 2.127 16.397 860 HD2 PHE 37 HD2 PHE 37 188.614 4.346 12.826 861 HE1 PHE 37 HE1 PHE 37 186.854 1.785 16.640 862 HE2 PHE 37 HE2 PHE 37 186.190 4.008 13.063 863 HZ PHE 37 HZ PHE 37 185.306 2.727 14.972 864 H HIS 38 HN HIS 38 192.721 1.276 15.346 865 HA HIS 38 HA HIS 38 191.572 -1.359 15.089 866 HB2 HIS 38 HB2 HIS 38 193.985 -1.077 15.465 867 HB3 HIS 38 HB1 HIS 38 193.658 -0.311 17.015 868 HD1 HIS 38 HD1 HIS 38 193.236 -1.822 18.998 869 HD2 HIS 38 HD2 HIS 38 193.434 -3.885 15.396 870 HE1 HIS 38 HE1 HIS 38 193.297 -4.258 19.621 871 HE2 HIS 38 HE2 HIS 38 193.416 -5.490 17.426 872 H THR 39 HN THR 39 190.647 -2.553 16.851 873 HA THR 39 HA THR 39 189.524 -0.918 19.015 874 HB THR 39 HB THR 39 187.340 -2.031 18.772 875 HG1 THR 39 HG1 THR 39 188.549 -3.142 16.442 876 HG21 THR 39 HG21 THR 39 187.680 0.147 17.717 877 HG22 THR 39 HG22 THR 39 186.594 -0.853 16.754 878 HG23 THR 39 HG23 THR 39 188.273 -0.643 16.257 879 H THR 40 HN THR 40 189.505 -1.883 20.968 880 HA THR 40 HA THR 40 190.647 -4.563 21.144 881 HB THR 40 HB THR 40 190.916 -4.088 23.546 882 HG1 THR 40 HG1 THR 40 189.841 -1.523 22.907 883 HG21 THR 40 HG21 THR 40 192.701 -3.444 22.008 884 HG22 THR 40 HG22 THR 40 192.579 -2.293 23.339 885 HG23 THR 40 HG23 THR 40 191.930 -1.878 21.753 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 170.826 0.999 15.500 2 H2 ALA 1 HT2 ALA 1 170.426 0.409 13.967 3 H3 ALA 1 HT3 ALA 1 171.717 1.486 14.146 4 HA ALA 1 HA ALA 1 172.950 -0.128 15.421 5 HB1 ALA 1 HB1 ALA 1 170.620 -1.957 14.856 6 HB2 ALA 1 HB2 ALA 1 171.017 -1.250 16.422 7 HB3 ALA 1 HB3 ALA 1 172.120 -2.402 15.668 8 HA PRO 2 HA PRO 2 174.897 -1.153 11.611 9 HB2 PRO 2 HB2 PRO 2 175.683 -3.717 12.903 10 HB3 PRO 2 HB1 PRO 2 176.695 -2.490 12.127 11 HG2 PRO 2 HG2 PRO 2 176.640 -2.706 14.771 12 HG3 PRO 2 HG1 PRO 2 176.720 -1.119 13.981 13 HD2 PRO 2 HD2 PRO 2 174.404 -2.456 15.294 14 HD3 PRO 2 HD1 PRO 2 174.842 -0.736 15.246 15 H VAL 3 HN VAL 3 174.239 -2.087 9.761 16 HA VAL 3 HA VAL 3 172.681 -4.569 9.901 17 HB VAL 3 HB VAL 3 171.099 -3.698 8.216 18 HG11 VAL 3 HG11 VAL 3 171.246 -2.079 10.757 19 HG12 VAL 3 HG12 VAL 3 170.491 -3.662 10.570 20 HG13 VAL 3 HG13 VAL 3 169.818 -2.261 9.736 21 HG21 VAL 3 HG21 VAL 3 172.573 -1.112 8.683 22 HG22 VAL 3 HG22 VAL 3 170.988 -1.214 7.916 23 HG23 VAL 3 HG23 VAL 3 172.383 -1.983 7.161 24 HA PRO 4 HA PRO 4 175.717 -5.664 6.784 25 HB2 PRO 4 HB2 PRO 4 173.783 -7.858 6.275 26 HB3 PRO 4 HB1 PRO 4 175.511 -7.943 6.644 27 HG2 PRO 4 HG2 PRO 4 173.708 -8.614 8.476 28 HG3 PRO 4 HG1 PRO 4 175.192 -7.747 8.918 29 HD2 PRO 4 HD2 PRO 4 172.410 -6.705 8.645 30 HD3 PRO 4 HD1 PRO 4 173.668 -6.279 9.824 31 H VAL 5 HN VAL 5 175.886 -5.450 4.582 32 HA VAL 5 HA VAL 5 173.615 -4.263 3.230 33 HB VAL 5 HB VAL 5 176.396 -4.783 2.166 34 HG11 VAL 5 HG11 VAL 5 174.741 -4.459 0.409 35 HG12 VAL 5 HG12 VAL 5 175.829 -3.074 0.505 36 HG13 VAL 5 HG13 VAL 5 174.201 -2.965 1.176 37 HG21 VAL 5 HG21 VAL 5 176.470 -3.343 4.130 38 HG22 VAL 5 HG22 VAL 5 175.245 -2.292 3.418 39 HG23 VAL 5 HG23 VAL 5 176.836 -2.427 2.667 40 H THR 6 HN THR 6 172.299 -5.270 1.852 41 HA THR 6 HA THR 6 172.770 -8.072 1.247 42 HB THR 6 HB THR 6 170.491 -8.051 0.312 43 HG1 THR 6 HG1 THR 6 169.273 -6.080 0.552 44 HG21 THR 6 HG21 THR 6 170.780 -8.466 2.702 45 HG22 THR 6 HG22 THR 6 169.283 -7.586 2.397 46 HG23 THR 6 HG23 THR 6 170.695 -6.733 3.022 47 H LYS 7 HN LYS 7 172.736 -4.978 -0.367 48 HA LYS 7 HA LYS 7 173.948 -6.186 -2.714 49 HB2 LYS 7 HB2 LYS 7 171.432 -6.161 -3.056 50 HB3 LYS 7 HB1 LYS 7 171.533 -4.406 -3.040 51 HG2 LYS 7 HG2 LYS 7 172.981 -4.444 -4.982 52 HG3 LYS 7 HG1 LYS 7 172.969 -6.209 -4.978 53 HD2 LYS 7 HD2 LYS 7 170.513 -6.146 -5.305 54 HD3 LYS 7 HD1 LYS 7 170.604 -4.388 -5.424 55 HE2 LYS 7 HE2 LYS 7 172.080 -4.600 -7.364 56 HE3 LYS 7 HE1 LYS 7 171.989 -6.357 -7.242 57 HZ1 LYS 7 HZ1 LYS 7 169.699 -4.541 -7.769 58 HZ2 LYS 7 HZ2 LYS 7 169.612 -6.226 -7.654 59 HZ3 LYS 7 HZ3 LYS 7 170.476 -5.509 -8.920 60 H LEU 8 HN LEU 8 175.607 -4.955 -3.339 61 HA LEU 8 HA LEU 8 175.537 -2.083 -2.678 62 HB2 LEU 8 HB2 LEU 8 177.074 -3.583 -1.277 63 HB3 LEU 8 HB1 LEU 8 178.048 -3.736 -2.725 64 HG LEU 8 HG LEU 8 178.950 -2.045 -1.209 65 HD11 LEU 8 HD11 LEU 8 177.803 -0.693 -3.638 66 HD12 LEU 8 HD12 LEU 8 179.148 -1.831 -3.698 67 HD13 LEU 8 HD13 LEU 8 179.308 -0.323 -2.799 68 HD21 LEU 8 HD21 LEU 8 176.837 -1.372 -0.165 69 HD22 LEU 8 HD22 LEU 8 176.352 -0.584 -1.666 70 HD23 LEU 8 HD23 LEU 8 177.745 0.015 -0.766 71 H VAL 9 HN VAL 9 175.424 -0.943 -4.492 72 HA VAL 9 HA VAL 9 176.892 -1.907 -6.861 73 HB VAL 9 HB VAL 9 175.324 -0.571 -8.220 74 HG11 VAL 9 HG11 VAL 9 173.983 -2.557 -6.391 75 HG12 VAL 9 HG12 VAL 9 174.893 -2.942 -7.851 76 HG13 VAL 9 HG13 VAL 9 173.383 -2.037 -7.965 77 HG21 VAL 9 HG21 VAL 9 173.273 0.308 -7.195 78 HG22 VAL 9 HG22 VAL 9 174.714 1.107 -6.568 79 HG23 VAL 9 HG23 VAL 9 173.895 -0.119 -5.600 80 H CYS 10 HN CYS 10 177.459 -0.035 -8.393 81 HA CYS 10 HA CYS 10 178.169 2.419 -6.983 82 HB2 CYS 10 HB2 CYS 10 180.109 0.952 -6.674 83 HB3 CYS 10 HB1 CYS 10 180.200 0.692 -8.412 84 HG CYS 10 HG CYS 10 181.415 2.911 -9.060 85 H ASP 11 HN ASP 11 178.381 4.207 -8.302 86 HA ASP 11 HA ASP 11 177.682 3.775 -11.131 87 HB2 ASP 11 HB2 ASP 11 177.056 6.149 -9.362 88 HB3 ASP 11 HB1 ASP 11 176.640 6.014 -11.069 89 H GLY 12 HN GLY 12 179.350 4.103 -12.440 90 HA2 GLY 12 HA2 GLY 12 181.641 5.640 -11.620 91 HA3 GLY 12 HA1 GLY 12 181.423 4.834 -13.165 92 H ASP 13 HN ASP 13 178.810 6.226 -13.561 93 HA ASP 13 HA ASP 13 179.707 8.364 -15.116 94 HB2 ASP 13 HB2 ASP 13 176.950 7.899 -13.957 95 HB3 ASP 13 HB1 ASP 13 177.327 9.017 -15.264 96 H THR 14 HN THR 14 177.968 8.488 -12.003 97 HA THR 14 HA THR 14 178.808 11.274 -11.687 98 HB THR 14 HB THR 14 177.214 11.358 -9.813 99 HG1 THR 14 HG1 THR 14 176.610 8.668 -10.549 100 HG21 THR 14 HG21 THR 14 176.427 11.896 -12.065 101 HG22 THR 14 HG22 THR 14 175.155 11.117 -11.124 102 HG23 THR 14 HG23 THR 14 176.039 10.198 -12.343 103 H TYR 15 HN TYR 15 180.158 8.410 -11.021 104 HA TYR 15 HA TYR 15 181.737 7.665 -9.566 105 HB2 TYR 15 HB2 TYR 15 181.944 10.569 -8.745 106 HB3 TYR 15 HB1 TYR 15 183.157 9.319 -8.490 107 HD1 TYR 15 HD1 TYR 15 184.075 8.166 -10.642 108 HD2 TYR 15 HD2 TYR 15 182.077 11.923 -10.625 109 HE1 TYR 15 HE1 TYR 15 185.103 8.717 -12.807 110 HE2 TYR 15 HE2 TYR 15 183.099 12.483 -12.791 111 HH TYR 15 HH TYR 15 185.068 11.845 -14.118 112 H LYS 16 HN LYS 16 178.862 8.055 -8.704 113 HA LYS 16 HA LYS 16 179.254 8.235 -5.799 114 HB2 LYS 16 HB2 LYS 16 176.717 8.352 -7.439 115 HB3 LYS 16 HB1 LYS 16 176.789 8.459 -5.685 116 HG2 LYS 16 HG2 LYS 16 178.107 10.511 -5.865 117 HG3 LYS 16 HG1 LYS 16 178.026 10.403 -7.625 118 HD2 LYS 16 HD2 LYS 16 175.592 10.590 -7.529 119 HD3 LYS 16 HD1 LYS 16 175.663 10.672 -5.767 120 HE2 LYS 16 HE2 LYS 16 176.962 12.737 -5.913 121 HE3 LYS 16 HE1 LYS 16 176.906 12.652 -7.673 122 HZ1 LYS 16 HZ1 LYS 16 175.242 14.172 -6.813 123 HZ2 LYS 16 HZ2 LYS 16 174.556 12.939 -5.879 124 HZ3 LYS 16 HZ3 LYS 16 174.497 12.851 -7.567 125 H CYS 17 HN CYS 17 178.852 6.543 -4.471 126 HA CYS 17 HA CYS 17 178.180 3.990 -5.766 127 HB2 CYS 17 HB2 CYS 17 180.388 4.055 -4.699 128 HB3 CYS 17 HB1 CYS 17 179.644 4.513 -3.170 129 HG CYS 17 HG CYS 17 178.041 1.927 -3.596 130 H THR 18 HN THR 18 176.278 3.095 -5.335 131 HA THR 18 HA THR 18 174.704 4.142 -3.093 132 HB THR 18 HB THR 18 173.783 2.436 -5.416 133 HG1 THR 18 HG1 THR 18 174.414 4.511 -6.113 134 HG21 THR 18 HG21 THR 18 171.529 3.166 -4.713 135 HG22 THR 18 HG22 THR 18 172.244 3.956 -3.307 136 HG23 THR 18 HG23 THR 18 172.339 2.204 -3.477 137 H ALA 19 HN ALA 19 173.512 2.693 -1.730 138 HA ALA 19 HA ALA 19 174.380 -0.097 -1.712 139 HB1 ALA 19 HB1 ALA 19 174.603 1.659 0.728 140 HB2 ALA 19 HB2 ALA 19 175.961 1.149 -0.275 141 HB3 ALA 19 HB3 ALA 19 175.021 -0.051 0.613 142 H TYR 20 HN TYR 20 172.932 -1.515 -0.766 143 HA TYR 20 HA TYR 20 170.326 -0.345 -0.058 144 HB2 TYR 20 HB2 TYR 20 171.005 -3.066 -1.191 145 HB3 TYR 20 HB1 TYR 20 169.391 -2.577 -0.686 146 HD1 TYR 20 HD1 TYR 20 168.130 -0.927 -1.977 147 HD2 TYR 20 HD2 TYR 20 171.976 -2.234 -3.241 148 HE1 TYR 20 HE1 TYR 20 167.712 0.018 -4.207 149 HE2 TYR 20 HE2 TYR 20 171.569 -1.292 -5.475 150 HH TYR 20 HH TYR 20 169.002 0.826 -6.138 151 H LEU 21 HN LEU 21 169.845 -0.382 2.024 152 HA LEU 21 HA LEU 21 171.266 -2.137 3.839 153 HB2 LEU 21 HB2 LEU 21 169.127 -0.080 4.397 154 HB3 LEU 21 HB1 LEU 21 170.100 -0.899 5.603 155 HG LEU 21 HG LEU 21 171.105 1.048 3.528 156 HD11 LEU 21 HD11 LEU 21 171.600 2.463 5.457 157 HD12 LEU 21 HD12 LEU 21 170.875 1.263 6.526 158 HD13 LEU 21 HD13 LEU 21 169.877 2.109 5.343 159 HD21 LEU 21 HD21 LEU 21 172.747 -0.702 3.951 160 HD22 LEU 21 HD22 LEU 21 172.600 -0.434 5.688 161 HD23 LEU 21 HD23 LEU 21 173.266 0.830 4.654 162 H ASP 22 HN ASP 22 170.177 -3.477 5.407 163 HA ASP 22 HA ASP 22 167.800 -4.754 4.263 164 HB2 ASP 22 HB2 ASP 22 169.790 -6.167 4.707 165 HB3 ASP 22 HB1 ASP 22 169.672 -5.762 6.417 166 H TYR 23 HN TYR 23 167.977 -2.249 6.023 167 HA TYR 23 HA TYR 23 166.480 -3.111 8.371 168 HB2 TYR 23 HB2 TYR 23 168.241 -1.448 8.696 169 HB3 TYR 23 HB1 TYR 23 167.467 -0.375 7.536 170 HD1 TYR 23 HD1 TYR 23 167.233 -1.821 10.911 171 HD2 TYR 23 HD2 TYR 23 165.564 0.954 8.152 172 HE1 TYR 23 HE1 TYR 23 165.931 -0.804 12.732 173 HE2 TYR 23 HE2 TYR 23 164.259 1.980 9.966 174 HH TYR 23 HH TYR 23 164.848 1.342 13.245 175 H GLY 24 HN GLY 24 164.336 -3.173 8.386 176 HA2 GLY 24 HA2 GLY 24 162.152 -2.483 8.033 177 HA3 GLY 24 HA1 GLY 24 162.763 -1.141 7.079 178 H ASP 25 HN ASP 25 161.029 -1.572 5.596 179 HA ASP 25 HA ASP 25 160.672 -4.005 4.248 180 HB2 ASP 25 HB2 ASP 25 160.093 -1.196 3.283 181 HB3 ASP 25 HB1 ASP 25 159.461 -2.672 2.558 182 H GLY 26 HN GLY 26 162.977 -1.439 3.808 183 HA2 GLY 26 HA2 GLY 26 165.070 -2.063 2.704 184 HA3 GLY 26 HA1 GLY 26 164.104 -2.931 1.521 185 H LYS 27 HN LYS 27 163.136 0.206 2.690 186 HA LYS 27 HA LYS 27 163.550 1.277 -0.004 187 HB2 LYS 27 HB2 LYS 27 161.892 2.328 2.296 188 HB3 LYS 27 HB1 LYS 27 161.998 3.068 0.704 189 HG2 LYS 27 HG2 LYS 27 160.916 0.322 1.301 190 HG3 LYS 27 HG1 LYS 27 159.959 1.763 0.949 191 HD2 LYS 27 HD2 LYS 27 160.980 1.898 -1.270 192 HD3 LYS 27 HD1 LYS 27 161.945 0.464 -0.917 193 HE2 LYS 27 HE2 LYS 27 159.896 -0.850 -0.667 194 HE3 LYS 27 HE1 LYS 27 158.931 0.585 -1.013 195 HZ1 LYS 27 HZ1 LYS 27 160.861 -0.693 -2.877 196 HZ2 LYS 27 HZ2 LYS 27 159.933 0.682 -3.211 197 HZ3 LYS 27 HZ3 LYS 27 159.174 -0.810 -2.968 198 H TRP 28 HN TRP 28 165.586 1.010 2.275 199 HA TRP 28 HA TRP 28 166.390 3.843 2.377 200 HB2 TRP 28 HB2 TRP 28 167.110 1.602 4.279 201 HB3 TRP 28 HB1 TRP 28 167.675 3.266 4.401 202 HD1 TRP 28 HD1 TRP 28 164.624 1.082 5.049 203 HE1 TRP 28 HE1 TRP 28 162.907 2.430 6.412 204 HE3 TRP 28 HE3 TRP 28 166.846 5.681 4.828 205 HZ2 TRP 28 HZ2 TRP 28 162.543 5.092 7.279 206 HZ3 TRP 28 HZ3 TRP 28 165.748 7.577 5.950 207 HH2 TRP 28 HH2 TRP 28 163.641 7.287 7.149 208 H VAL 29 HN VAL 29 168.238 4.416 1.420 209 HA VAL 29 HA VAL 29 170.260 2.376 0.854 210 HB VAL 29 HB VAL 29 170.541 3.202 -1.455 211 HG11 VAL 29 HG11 VAL 29 169.222 1.198 -1.048 212 HG12 VAL 29 HG12 VAL 29 168.560 2.112 -2.403 213 HG13 VAL 29 HG13 VAL 29 167.774 2.178 -0.825 214 HG21 VAL 29 HG21 VAL 29 167.998 4.732 -0.910 215 HG22 VAL 29 HG22 VAL 29 168.786 4.572 -2.479 216 HG23 VAL 29 HG23 VAL 29 169.596 5.432 -1.168 217 H ALA 30 HN ALA 30 172.342 3.109 0.877 218 HA ALA 30 HA ALA 30 172.705 5.899 1.711 219 HB1 ALA 30 HB1 ALA 30 174.834 5.187 2.637 220 HB2 ALA 30 HB2 ALA 30 174.604 3.570 1.972 221 HB3 ALA 30 HB3 ALA 30 173.530 4.165 3.240 222 H GLN 31 HN GLN 31 174.284 7.219 0.771 223 HA GLN 31 HA GLN 31 175.634 6.236 -1.624 224 HB2 GLN 31 HB2 GLN 31 173.792 8.630 -1.589 225 HB3 GLN 31 HB1 GLN 31 174.903 8.259 -2.898 226 HG2 GLN 31 HG2 GLN 31 173.739 6.108 -3.230 227 HG3 GLN 31 HG1 GLN 31 172.585 6.574 -1.981 228 HE21 GLN 31 HE21 GLN 31 170.860 6.496 -3.415 229 HE22 GLN 31 HE22 GLN 31 170.615 7.701 -4.628 230 H TRP 32 HN TRP 32 177.554 7.245 -2.073 231 HA TRP 32 HA TRP 32 178.290 9.691 -0.709 232 HB2 TRP 32 HB2 TRP 32 180.286 8.713 0.362 233 HB3 TRP 32 HB1 TRP 32 178.795 8.030 1.005 234 HD1 TRP 32 HD1 TRP 32 181.899 7.097 -0.996 235 HE1 TRP 32 HE1 TRP 32 182.013 4.534 -1.207 236 HE3 TRP 32 HE3 TRP 32 177.306 5.917 0.918 237 HZ2 TRP 32 HZ2 TRP 32 180.375 2.308 -0.639 238 HZ3 TRP 32 HZ3 TRP 32 176.657 3.547 1.048 239 HH2 TRP 32 HH2 TRP 32 178.160 1.781 0.284 240 H ASP 33 HN ASP 33 179.798 10.831 -1.812 241 HA ASP 33 HA ASP 33 180.384 10.169 -4.468 242 HB2 ASP 33 HB2 ASP 33 181.785 12.147 -2.657 243 HB3 ASP 33 HB1 ASP 33 181.929 12.095 -4.412 244 H THR 34 HN THR 34 182.398 9.682 -5.482 245 HA THR 34 HA THR 34 184.575 8.706 -3.826 246 HB THR 34 HB THR 34 184.634 6.485 -4.859 247 HG1 THR 34 HG1 THR 34 183.401 6.059 -6.522 248 HG21 THR 34 HG21 THR 34 183.466 6.760 -2.720 249 HG22 THR 34 HG22 THR 34 182.722 5.498 -3.701 250 HG23 THR 34 HG23 THR 34 181.963 7.085 -3.584 251 H ALA 35 HN ALA 35 186.211 7.541 -5.489 252 HA ALA 35 HA ALA 35 186.424 9.313 -7.836 253 HB1 ALA 35 HB1 ALA 35 188.023 9.982 -6.116 254 HB2 ALA 35 HB2 ALA 35 188.848 9.335 -7.535 255 HB3 ALA 35 HB3 ALA 35 188.682 8.345 -6.085 256 H VAL 36 HN VAL 36 186.384 8.236 -9.687 257 HA VAL 36 HA VAL 36 187.372 5.457 -9.722 258 HB VAL 36 HB VAL 36 185.194 6.605 -11.473 259 HG11 VAL 36 HG11 VAL 36 184.810 4.269 -12.108 260 HG12 VAL 36 HG12 VAL 36 186.183 3.777 -11.116 261 HG13 VAL 36 HG13 VAL 36 186.439 4.801 -12.530 262 HG21 VAL 36 HG21 VAL 36 183.654 5.222 -10.152 263 HG22 VAL 36 HG22 VAL 36 184.433 6.460 -9.168 264 HG23 VAL 36 HG23 VAL 36 184.980 4.786 -9.075 265 H PHE 37 HN PHE 37 188.766 4.868 -11.310 266 HA PHE 37 HA PHE 37 189.212 6.570 -13.608 267 HB2 PHE 37 HB2 PHE 37 191.610 6.873 -13.168 268 HB3 PHE 37 HB1 PHE 37 190.632 7.630 -11.915 269 HD1 PHE 37 HD1 PHE 37 190.608 6.767 -9.661 270 HD2 PHE 37 HD2 PHE 37 192.937 4.904 -12.698 271 HE1 PHE 37 HE1 PHE 37 191.842 5.512 -7.942 272 HE2 PHE 37 HE2 PHE 37 194.175 3.646 -10.984 273 HZ PHE 37 HZ PHE 37 193.628 3.949 -8.602 274 H HIS 38 HN HIS 38 191.085 5.615 -14.962 275 HA HIS 38 HA HIS 38 190.577 2.757 -15.170 276 HB2 HIS 38 HB2 HIS 38 190.428 4.156 -17.191 277 HB3 HIS 38 HB1 HIS 38 192.118 4.609 -17.002 278 HD1 HIS 38 HD1 HIS 38 193.859 3.007 -17.895 279 HD2 HIS 38 HD2 HIS 38 190.015 1.429 -17.965 280 HE1 HIS 38 HE1 HIS 38 194.030 0.876 -19.221 281 HE2 HIS 38 HE2 HIS 38 191.691 -0.062 -19.251 282 H THR 39 HN THR 39 191.980 1.206 -14.626 283 HA THR 39 HA THR 39 194.510 1.989 -13.431 284 HB THR 39 HB THR 39 194.674 -0.362 -12.713 285 HG1 THR 39 HG1 THR 39 192.104 -0.730 -13.875 286 HG21 THR 39 HG21 THR 39 193.470 1.228 -11.298 287 HG22 THR 39 HG22 THR 39 192.743 -0.375 -11.198 288 HG23 THR 39 HG23 THR 39 191.975 0.882 -12.167 289 H THR 40 HN THR 40 196.528 1.086 -14.016 290 HA THR 40 HA THR 40 196.667 -0.264 -16.611 291 HB THR 40 HB THR 40 198.484 1.213 -17.369 292 HG1 THR 40 HG1 THR 40 198.805 3.189 -16.198 293 HG21 THR 40 HG21 THR 40 197.113 3.176 -17.899 294 HG22 THR 40 HG22 THR 40 195.948 2.697 -16.666 295 HG23 THR 40 HG23 THR 40 196.193 1.684 -18.089 296 H1 ALA 1 HT1 ALA 1 199.710 -3.127 2.394 297 H2 ALA 1 HT2 ALA 1 198.439 -3.812 3.275 298 H3 ALA 1 HT3 ALA 1 198.216 -2.338 2.476 299 HA ALA 1 HA ALA 1 198.484 -3.400 0.343 300 HB1 ALA 1 HB1 ALA 1 198.697 -5.950 1.938 301 HB2 ALA 1 HB2 ALA 1 200.020 -5.160 1.080 302 HB3 ALA 1 HB3 ALA 1 198.656 -5.822 0.180 303 HA PRO 2 HA PRO 2 194.090 -3.613 0.270 304 HB2 PRO 2 HB2 PRO 2 194.399 -5.722 -1.808 305 HB3 PRO 2 HB1 PRO 2 193.492 -4.204 -1.869 306 HG2 PRO 2 HG2 PRO 2 195.792 -4.446 -3.172 307 HG3 PRO 2 HG1 PRO 2 195.356 -2.933 -2.353 308 HD2 PRO 2 HD2 PRO 2 197.296 -5.035 -1.521 309 HD3 PRO 2 HD1 PRO 2 197.373 -3.273 -1.311 310 H VAL 3 HN VAL 3 192.595 -4.707 1.405 311 HA VAL 3 HA VAL 3 192.959 -7.588 1.826 312 HB VAL 3 HB VAL 3 192.350 -7.341 4.206 313 HG11 VAL 3 HG11 VAL 3 194.806 -5.802 3.370 314 HG12 VAL 3 HG12 VAL 3 194.690 -7.549 3.576 315 HG13 VAL 3 HG13 VAL 3 194.519 -6.484 4.971 316 HG21 VAL 3 HG21 VAL 3 192.575 -4.399 3.596 317 HG22 VAL 3 HG22 VAL 3 192.594 -5.067 5.227 318 HG23 VAL 3 HG23 VAL 3 191.168 -5.267 4.210 319 HA PRO 4 HA PRO 4 188.671 -7.472 0.506 320 HB2 PRO 4 HB2 PRO 4 188.689 -10.218 1.638 321 HB3 PRO 4 HB1 PRO 4 188.222 -9.668 0.022 322 HG2 PRO 4 HG2 PRO 4 190.509 -10.966 0.396 323 HG3 PRO 4 HG1 PRO 4 190.393 -9.620 -0.755 324 HD2 PRO 4 HD2 PRO 4 191.589 -9.665 1.978 325 HD3 PRO 4 HD1 PRO 4 192.137 -8.818 0.515 326 H VAL 5 HN VAL 5 186.707 -7.194 1.501 327 HA VAL 5 HA VAL 5 186.757 -6.908 4.383 328 HB VAL 5 HB VAL 5 184.487 -6.366 2.464 329 HG11 VAL 5 HG11 VAL 5 183.748 -6.655 4.766 330 HG12 VAL 5 HG12 VAL 5 183.600 -4.970 4.270 331 HG13 VAL 5 HG13 VAL 5 184.935 -5.468 5.309 332 HG21 VAL 5 HG21 VAL 5 186.437 -5.015 1.910 333 HG22 VAL 5 HG22 VAL 5 186.554 -4.479 3.586 334 HG23 VAL 5 HG23 VAL 5 185.161 -4.017 2.607 335 H THR 6 HN THR 6 185.956 -8.314 5.805 336 HA THR 6 HA THR 6 184.702 -10.746 4.828 337 HB THR 6 HB THR 6 184.906 -11.551 7.147 338 HG1 THR 6 HG1 THR 6 186.022 -10.164 8.648 339 HG21 THR 6 HG21 THR 6 186.793 -11.851 5.624 340 HG22 THR 6 HG22 THR 6 187.357 -11.576 7.272 341 HG23 THR 6 HG23 THR 6 187.429 -10.272 6.086 342 H LYS 7 HN LYS 7 183.870 -7.866 6.614 343 HA LYS 7 HA LYS 7 181.053 -8.528 6.376 344 HB2 LYS 7 HB2 LYS 7 181.885 -9.421 8.605 345 HB3 LYS 7 HB1 LYS 7 182.174 -7.750 9.069 346 HG2 LYS 7 HG2 LYS 7 179.820 -7.241 8.813 347 HG3 LYS 7 HG1 LYS 7 179.506 -8.888 8.263 348 HD2 LYS 7 HD2 LYS 7 180.330 -9.725 10.446 349 HD3 LYS 7 HD1 LYS 7 180.506 -8.054 10.985 350 HE2 LYS 7 HE2 LYS 7 178.108 -7.696 10.652 351 HE3 LYS 7 HE1 LYS 7 177.934 -9.364 10.111 352 HZ1 LYS 7 HZ1 LYS 7 178.830 -8.508 12.810 353 HZ2 LYS 7 HZ2 LYS 7 178.661 -10.109 12.292 354 HZ3 LYS 7 HZ3 LYS 7 177.298 -9.116 12.425 355 H LEU 8 HN LEU 8 179.990 -6.771 5.715 356 HA LEU 8 HA LEU 8 181.125 -4.128 6.360 357 HB2 LEU 8 HB2 LEU 8 181.389 -4.975 3.955 358 HB3 LEU 8 HB1 LEU 8 179.658 -4.749 3.810 359 HG LEU 8 HG LEU 8 180.891 -2.857 2.877 360 HD11 LEU 8 HD11 LEU 8 179.526 -1.999 5.415 361 HD12 LEU 8 HD12 LEU 8 178.663 -2.565 3.987 362 HD13 LEU 8 HD13 LEU 8 179.655 -1.110 3.898 363 HD21 LEU 8 HD21 LEU 8 182.874 -3.012 4.309 364 HD22 LEU 8 HD22 LEU 8 181.921 -2.443 5.680 365 HD23 LEU 8 HD23 LEU 8 182.196 -1.383 4.298 366 H VAL 9 HN VAL 9 179.796 -3.093 7.690 367 HA VAL 9 HA VAL 9 176.890 -3.435 7.332 368 HB VAL 9 HB VAL 9 176.647 -2.754 9.692 369 HG11 VAL 9 HG11 VAL 9 178.483 -5.107 9.273 370 HG12 VAL 9 HG12 VAL 9 176.727 -5.120 9.116 371 HG13 VAL 9 HG13 VAL 9 177.469 -4.830 10.689 372 HG21 VAL 9 HG21 VAL 9 178.623 -2.694 11.148 373 HG22 VAL 9 HG22 VAL 9 178.674 -1.428 9.921 374 HG23 VAL 9 HG23 VAL 9 179.662 -2.877 9.735 375 H CYS 10 HN CYS 10 175.638 -1.473 8.203 376 HA CYS 10 HA CYS 10 177.004 1.059 7.718 377 HB2 CYS 10 HB2 CYS 10 176.138 0.401 5.521 378 HB3 CYS 10 HB1 CYS 10 174.528 0.205 6.203 379 HG CYS 10 HG CYS 10 173.825 2.720 6.227 380 H ASP 11 HN ASP 11 176.083 2.812 8.747 381 HA ASP 11 HA ASP 11 173.839 2.177 10.548 382 HB2 ASP 11 HB2 ASP 11 176.103 4.144 10.955 383 HB3 ASP 11 HB1 ASP 11 174.771 3.880 12.076 384 H GLY 12 HN GLY 12 172.009 3.103 9.923 385 HA2 GLY 12 HA2 GLY 12 171.983 5.364 8.144 386 HA3 GLY 12 HA1 GLY 12 170.580 4.546 8.813 387 H ASP 13 HN ASP 13 171.658 4.890 11.577 388 HA ASP 13 HA ASP 13 170.287 7.221 12.274 389 HB2 ASP 13 HB2 ASP 13 172.450 5.770 13.816 390 HB3 ASP 13 HB1 ASP 13 171.342 6.961 14.494 391 H THR 14 HN THR 14 173.813 6.676 12.228 392 HA THR 14 HA THR 14 174.225 9.573 12.270 393 HB THR 14 HB THR 14 176.593 9.053 12.692 394 HG1 THR 14 HG1 THR 14 175.726 6.335 12.691 395 HG21 THR 14 HG21 THR 14 175.072 9.285 14.593 396 HG22 THR 14 HG22 THR 14 176.322 8.088 14.930 397 HG23 THR 14 HG23 THR 14 174.692 7.564 14.507 398 H TYR 15 HN TYR 15 173.678 7.394 9.940 399 HA TYR 15 HA TYR 15 174.110 7.267 7.712 400 HB2 TYR 15 HB2 TYR 15 175.266 10.039 8.066 401 HB3 TYR 15 HB1 TYR 15 174.719 9.317 6.556 402 HD1 TYR 15 HD1 TYR 15 172.212 8.597 6.483 403 HD2 TYR 15 HD2 TYR 15 173.809 11.364 9.293 404 HE1 TYR 15 HE1 TYR 15 169.958 9.503 6.864 405 HE2 TYR 15 HE2 TYR 15 171.560 12.276 9.683 406 HH TYR 15 HH TYR 15 169.400 12.411 8.516 407 H LYS 16 HN LYS 16 176.221 6.573 9.765 408 HA LYS 16 HA LYS 16 178.622 6.860 8.099 409 HB2 LYS 16 HB2 LYS 16 178.343 6.054 11.000 410 HB3 LYS 16 HB1 LYS 16 179.865 6.167 10.127 411 HG2 LYS 16 HG2 LYS 16 179.493 8.559 9.786 412 HG3 LYS 16 HG1 LYS 16 177.970 8.444 10.670 413 HD2 LYS 16 HD2 LYS 16 179.178 7.728 12.669 414 HD3 LYS 16 HD1 LYS 16 180.702 7.814 11.786 415 HE2 LYS 16 HE2 LYS 16 180.372 10.213 11.449 416 HE3 LYS 16 HE1 LYS 16 178.841 10.128 12.319 417 HZ1 LYS 16 HZ1 LYS 16 180.617 10.927 13.741 418 HZ2 LYS 16 HZ2 LYS 16 181.516 9.522 13.460 419 HZ3 LYS 16 HZ3 LYS 16 180.049 9.432 14.296 420 H CYS 17 HN CYS 17 179.654 5.127 7.250 421 HA CYS 17 HA CYS 17 178.353 2.515 7.616 422 HB2 CYS 17 HB2 CYS 17 178.312 3.374 5.319 423 HB3 CYS 17 HB1 CYS 17 180.066 3.516 5.332 424 HG CYS 17 HG CYS 17 179.937 0.526 6.029 425 H THR 18 HN THR 18 179.418 0.984 8.678 426 HA THR 18 HA THR 18 182.276 1.365 9.210 427 HB THR 18 HB THR 18 180.342 -0.541 10.544 428 HG1 THR 18 HG1 THR 18 179.829 1.627 11.023 429 HG21 THR 18 HG21 THR 18 182.100 -0.690 12.276 430 HG22 THR 18 HG22 THR 18 183.155 0.294 11.263 431 HG23 THR 18 HG23 THR 18 182.642 -1.301 10.713 432 H ALA 19 HN ALA 19 183.738 -0.430 9.066 433 HA ALA 19 HA ALA 19 182.853 -2.711 7.465 434 HB1 ALA 19 HB1 ALA 19 185.211 -1.014 6.659 435 HB2 ALA 19 HB2 ALA 19 183.632 -0.984 5.875 436 HB3 ALA 19 HB3 ALA 19 184.609 -2.452 5.834 437 H TYR 20 HN TYR 20 184.068 -4.566 7.741 438 HA TYR 20 HA TYR 20 186.068 -4.436 9.897 439 HB2 TYR 20 HB2 TYR 20 184.274 -6.711 9.029 440 HB3 TYR 20 HB1 TYR 20 185.529 -6.850 10.257 441 HD1 TYR 20 HD1 TYR 20 185.266 -5.765 12.433 442 HD2 TYR 20 HD2 TYR 20 182.198 -5.565 9.491 443 HE1 TYR 20 HE1 TYR 20 183.673 -5.019 14.153 444 HE2 TYR 20 HE2 TYR 20 180.598 -4.818 11.202 445 HH TYR 20 HH TYR 20 181.554 -3.781 14.287 446 H LEU 21 HN LEU 21 188.100 -4.663 9.272 447 HA LEU 21 HA LEU 21 188.731 -5.791 6.679 448 HB2 LEU 21 HB2 LEU 21 190.553 -4.663 8.807 449 HB3 LEU 21 HB1 LEU 21 191.024 -5.081 7.170 450 HG LEU 21 HG LEU 21 189.114 -2.883 7.968 451 HD11 LEU 21 HD11 LEU 21 190.841 -1.400 7.079 452 HD12 LEU 21 HD12 LEU 21 191.882 -2.792 6.776 453 HD13 LEU 21 HD13 LEU 21 191.447 -2.361 8.430 454 HD21 LEU 21 HD21 LEU 21 188.430 -3.916 5.870 455 HD22 LEU 21 HD22 LEU 21 190.066 -3.734 5.235 456 HD23 LEU 21 HD23 LEU 21 189.094 -2.306 5.591 457 H ASP 22 HN ASP 22 190.347 -7.450 6.387 458 HA ASP 22 HA ASP 22 190.173 -9.498 8.476 459 HB2 ASP 22 HB2 ASP 22 189.413 -10.090 6.190 460 HB3 ASP 22 HB1 ASP 22 191.037 -9.770 5.588 461 H TYR 23 HN TYR 23 192.094 -7.116 8.273 462 HA TYR 23 HA TYR 23 194.661 -8.485 8.087 463 HB2 TYR 23 HB2 TYR 23 194.463 -6.296 7.019 464 HB3 TYR 23 HB1 TYR 23 193.989 -5.570 8.551 465 HD1 TYR 23 HD1 TYR 23 196.783 -7.029 6.652 466 HD2 TYR 23 HD2 TYR 23 195.625 -5.034 10.226 467 HE1 TYR 23 HE1 TYR 23 199.146 -6.573 7.156 468 HE2 TYR 23 HE2 TYR 23 197.983 -4.570 10.739 469 HH TYR 23 HH TYR 23 200.474 -4.977 8.472 470 H GLY 24 HN GLY 24 195.623 -9.325 9.810 471 HA2 GLY 24 HA2 GLY 24 196.417 -9.479 11.983 472 HA3 GLY 24 HA1 GLY 24 195.554 -7.999 12.369 473 H ASP 25 HN ASP 25 194.952 -9.021 14.365 474 HA ASP 25 HA ASP 25 193.487 -11.406 14.538 475 HB2 ASP 25 HB2 ASP 25 193.416 -8.995 16.366 476 HB3 ASP 25 HB1 ASP 25 192.793 -10.594 16.765 477 H GLY 26 HN GLY 26 192.540 -8.171 13.680 478 HA2 GLY 26 HA2 GLY 26 190.523 -7.978 12.309 479 HA3 GLY 26 HA1 GLY 26 189.760 -9.129 13.395 480 H LYS 27 HN LYS 27 191.793 -6.572 14.612 481 HA LYS 27 HA LYS 27 189.445 -5.402 15.915 482 HB2 LYS 27 HB2 LYS 27 192.393 -5.049 16.489 483 HB3 LYS 27 HB1 LYS 27 191.088 -4.309 17.407 484 HG2 LYS 27 HG2 LYS 27 191.591 -7.265 17.133 485 HG3 LYS 27 HG1 LYS 27 191.975 -6.271 18.539 486 HD2 LYS 27 HD2 LYS 27 189.600 -5.754 18.822 487 HD3 LYS 27 HD1 LYS 27 189.215 -6.740 17.410 488 HE2 LYS 27 HE2 LYS 27 190.109 -8.713 18.546 489 HE3 LYS 27 HE1 LYS 27 190.500 -7.728 19.954 490 HZ1 LYS 27 HZ1 LYS 27 187.772 -8.196 18.877 491 HZ2 LYS 27 HZ2 LYS 27 188.147 -7.253 20.230 492 HZ3 LYS 27 HZ3 LYS 27 188.425 -8.921 20.259 493 H TRP 28 HN TRP 28 190.480 -4.926 13.066 494 HA TRP 28 HA TRP 28 190.729 -1.997 13.258 495 HB2 TRP 28 HB2 TRP 28 191.661 -3.834 11.041 496 HB3 TRP 28 HB1 TRP 28 191.819 -2.080 11.049 497 HD1 TRP 28 HD1 TRP 28 193.352 -5.233 12.534 498 HE1 TRP 28 HE1 TRP 28 195.560 -4.616 13.703 499 HE3 TRP 28 HE3 TRP 28 193.008 -0.138 12.282 500 HZ2 TRP 28 HZ2 TRP 28 196.970 -2.278 14.424 501 HZ3 TRP 28 HZ3 TRP 28 194.828 1.216 13.235 502 HH2 TRP 28 HH2 TRP 28 196.768 0.166 14.284 503 H VAL 29 HN VAL 29 189.169 -0.780 12.393 504 HA VAL 29 HA VAL 29 187.396 -1.936 10.370 505 HB VAL 29 HB VAL 29 185.400 -1.045 11.519 506 HG11 VAL 29 HG11 VAL 29 185.979 -3.395 11.764 507 HG12 VAL 29 HG12 VAL 29 185.257 -2.776 13.249 508 HG13 VAL 29 HG13 VAL 29 187.001 -3.014 13.150 509 HG21 VAL 29 HG21 VAL 29 187.296 -0.554 13.816 510 HG22 VAL 29 HG22 VAL 29 185.540 -0.402 13.879 511 HG23 VAL 29 HG23 VAL 29 186.482 0.683 12.857 512 H ALA 30 HN ALA 30 186.619 -0.491 8.892 513 HA ALA 30 HA ALA 30 187.697 2.231 9.076 514 HB1 ALA 30 HB1 ALA 30 187.425 2.339 6.665 515 HB2 ALA 30 HB2 ALA 30 186.649 0.755 6.663 516 HB3 ALA 30 HB3 ALA 30 188.348 0.905 7.114 517 H GLN 31 HN GLN 31 186.409 4.045 8.658 518 HA GLN 31 HA GLN 31 183.529 3.643 8.402 519 HB2 GLN 31 HB2 GLN 31 184.823 5.197 10.648 520 HB3 GLN 31 HB1 GLN 31 183.111 5.268 10.255 521 HG2 GLN 31 HG2 GLN 31 182.948 2.844 10.685 522 HG3 GLN 31 HG1 GLN 31 184.643 2.845 11.171 523 HE21 GLN 31 HE21 GLN 31 184.146 2.155 13.248 524 HE22 GLN 31 HE22 GLN 31 183.413 3.196 14.416 525 H TRP 32 HN TRP 32 182.463 5.287 7.372 526 HA TRP 32 HA TRP 32 183.775 7.820 6.886 527 HB2 TRP 32 HB2 TRP 32 183.641 7.631 4.429 528 HB3 TRP 32 HB1 TRP 32 184.745 6.447 5.120 529 HD1 TRP 32 HD1 TRP 32 181.434 6.727 3.258 530 HE1 TRP 32 HE1 TRP 32 180.728 4.386 2.457 531 HE3 TRP 32 HE3 TRP 32 184.947 3.935 5.709 532 HZ2 TRP 32 HZ2 TRP 32 181.551 1.710 2.815 533 HZ3 TRP 32 HZ3 TRP 32 184.919 1.491 5.425 534 HH2 TRP 32 HH2 TRP 32 183.254 0.403 4.009 535 H ASP 33 HN ASP 33 182.344 9.443 6.548 536 HA ASP 33 HA ASP 33 179.636 9.061 7.145 537 HB2 ASP 33 HB2 ASP 33 180.957 11.401 5.751 538 HB3 ASP 33 HB1 ASP 33 179.347 11.419 6.465 539 H THR 34 HN THR 34 177.759 9.353 5.837 540 HA THR 34 HA THR 34 178.054 9.226 2.951 541 HB THR 34 HB THR 34 176.716 7.190 2.699 542 HG1 THR 34 HG1 THR 34 175.735 6.356 4.375 543 HG21 THR 34 HG21 THR 34 179.162 7.001 2.706 544 HG22 THR 34 HG22 THR 34 178.405 5.562 3.388 545 HG23 THR 34 HG23 THR 34 179.138 6.761 4.453 546 H ALA 35 HN ALA 35 175.653 8.755 2.051 547 HA ALA 35 HA ALA 35 173.829 10.499 3.572 548 HB1 ALA 35 HB1 ALA 35 174.741 11.693 1.646 549 HB2 ALA 35 HB2 ALA 35 173.012 11.405 1.455 550 HB3 ALA 35 HB3 ALA 35 174.174 10.410 0.576 551 H VAL 36 HN VAL 36 172.030 9.497 4.158 552 HA VAL 36 HA VAL 36 171.047 7.273 2.490 553 HB VAL 36 HB VAL 36 170.699 7.559 5.477 554 HG11 VAL 36 HG11 VAL 36 169.886 5.250 5.359 555 HG12 VAL 36 HG12 VAL 36 170.050 5.286 3.603 556 HG13 VAL 36 HG13 VAL 36 168.886 6.343 4.402 557 HG21 VAL 36 HG21 VAL 36 172.291 5.698 5.659 558 HG22 VAL 36 HG22 VAL 36 173.030 7.128 4.938 559 HG23 VAL 36 HG23 VAL 36 172.560 5.769 3.917 560 H PHE 37 HN PHE 37 168.925 7.246 1.933 561 HA PHE 37 HA PHE 37 167.024 9.013 3.218 562 HB2 PHE 37 HB2 PHE 37 166.393 10.167 1.145 563 HB3 PHE 37 HB1 PHE 37 168.066 10.505 1.576 564 HD1 PHE 37 HD1 PHE 37 169.892 9.674 0.233 565 HD2 PHE 37 HD2 PHE 37 165.850 8.816 -0.789 566 HE1 PHE 37 HE1 PHE 37 170.615 8.944 -2.002 567 HE2 PHE 37 HE2 PHE 37 166.566 8.084 -3.025 568 HZ PHE 37 HZ PHE 37 168.952 8.146 -3.634 569 H HIS 38 HN HIS 38 164.827 8.818 2.042 570 HA HIS 38 HA HIS 38 164.349 5.975 1.653 571 HB2 HIS 38 HB2 HIS 38 162.903 7.239 3.195 572 HB3 HIS 38 HB1 HIS 38 162.395 8.276 1.866 573 HD1 HIS 38 HD1 HIS 38 160.541 7.429 0.371 574 HD2 HIS 38 HD2 HIS 38 161.911 4.556 3.043 575 HE1 HIS 38 HE1 HIS 38 158.913 5.519 0.199 576 HE2 HIS 38 HE2 HIS 38 159.762 3.792 1.825 577 H THR 39 HN THR 39 163.913 5.039 -0.245 578 HA THR 39 HA THR 39 163.971 6.683 -2.641 579 HB THR 39 HB THR 39 164.096 4.549 -3.865 580 HG1 THR 39 HG1 THR 39 164.161 3.276 -1.322 581 HG21 THR 39 HG21 THR 39 166.164 5.578 -3.063 582 HG22 THR 39 HG22 THR 39 166.283 3.819 -3.026 583 HG23 THR 39 HG23 THR 39 166.008 4.717 -1.532 584 H THR 40 HN THR 40 162.391 6.584 -4.291 585 HA THR 40 HA THR 40 159.809 5.400 -3.576 586 HB THR 40 HB THR 40 158.604 7.445 -4.225 587 HG1 THR 40 HG1 THR 40 159.847 9.392 -4.429 588 HG21 THR 40 HG21 THR 40 159.112 8.776 -2.230 589 HG22 THR 40 HG22 THR 40 160.625 7.894 -2.026 590 HG23 THR 40 HG23 THR 40 159.084 7.053 -1.859 591 H1 ALA 1 HT1 ALA 1 174.559 3.692 -16.153 592 H2 ALA 1 HT2 ALA 1 175.773 2.584 -15.757 593 H3 ALA 1 HT3 ALA 1 175.443 3.881 -14.723 594 HA ALA 1 HA ALA 1 173.261 3.008 -14.247 595 HB1 ALA 1 HB1 ALA 1 174.096 0.699 -15.998 596 HB2 ALA 1 HB2 ALA 1 172.898 1.925 -16.413 597 HB3 ALA 1 HB3 ALA 1 172.599 0.817 -15.074 598 HA PRO 2 HA PRO 2 175.126 1.205 -10.693 599 HB2 PRO 2 HB2 PRO 2 172.782 -0.629 -10.608 600 HB3 PRO 2 HB1 PRO 2 173.411 0.453 -9.358 601 HG2 PRO 2 HG2 PRO 2 171.198 1.079 -10.682 602 HG3 PRO 2 HG1 PRO 2 172.388 2.321 -10.243 603 HD2 PRO 2 HD2 PRO 2 171.863 1.067 -12.893 604 HD3 PRO 2 HD1 PRO 2 172.335 2.733 -12.501 605 H VAL 3 HN VAL 3 176.588 -0.369 -10.366 606 HA VAL 3 HA VAL 3 176.264 -2.922 -11.778 607 HB VAL 3 HB VAL 3 178.665 -2.933 -12.355 608 HG11 VAL 3 HG11 VAL 3 177.117 -0.597 -13.468 609 HG12 VAL 3 HG12 VAL 3 177.030 -2.267 -14.025 610 HG13 VAL 3 HG13 VAL 3 178.522 -1.350 -14.223 611 HG21 VAL 3 HG21 VAL 3 178.570 -0.107 -11.312 612 HG22 VAL 3 HG22 VAL 3 179.868 -0.736 -12.327 613 HG23 VAL 3 HG23 VAL 3 179.578 -1.435 -10.735 614 HA PRO 4 HA PRO 4 177.049 -4.369 -7.605 615 HB2 PRO 4 HB2 PRO 4 177.528 -6.928 -9.034 616 HB3 PRO 4 HB1 PRO 4 176.423 -6.574 -7.699 617 HG2 PRO 4 HG2 PRO 4 175.490 -6.950 -10.157 618 HG3 PRO 4 HG1 PRO 4 174.781 -5.729 -9.080 619 HD2 PRO 4 HD2 PRO 4 176.629 -5.356 -11.391 620 HD3 PRO 4 HD1 PRO 4 175.261 -4.356 -10.863 621 H VAL 5 HN VAL 5 178.849 -4.837 -6.394 622 HA VAL 5 HA VAL 5 181.402 -4.575 -7.738 623 HB VAL 5 HB VAL 5 180.837 -4.886 -4.785 624 HG11 VAL 5 HG11 VAL 5 183.131 -5.444 -5.387 625 HG12 VAL 5 HG12 VAL 5 183.071 -3.924 -4.493 626 HG13 VAL 5 HG13 VAL 5 183.292 -3.909 -6.243 627 HG21 VAL 5 HG21 VAL 5 179.727 -2.911 -5.683 628 HG22 VAL 5 HG22 VAL 5 181.241 -2.382 -6.418 629 HG23 VAL 5 HG23 VAL 5 181.092 -2.454 -4.662 630 H THR 6 HN THR 6 182.748 -6.189 -8.216 631 HA THR 6 HA THR 6 182.009 -8.903 -7.489 632 HB THR 6 HB THR 6 183.798 -9.596 -9.031 633 HG1 THR 6 HG1 THR 6 184.868 -7.911 -10.230 634 HG21 THR 6 HG21 THR 6 181.566 -9.174 -9.930 635 HG22 THR 6 HG22 THR 6 182.807 -8.725 -11.100 636 HG23 THR 6 HG23 THR 6 181.976 -7.476 -10.174 637 H LYS 7 HN LYS 7 184.471 -6.540 -6.763 638 HA LYS 7 HA LYS 7 185.403 -8.184 -4.558 639 HB2 LYS 7 HB2 LYS 7 186.817 -8.730 -6.595 640 HB3 LYS 7 HB1 LYS 7 187.401 -7.073 -6.528 641 HG2 LYS 7 HG2 LYS 7 188.323 -7.458 -4.322 642 HG3 LYS 7 HG1 LYS 7 187.681 -9.101 -4.321 643 HD2 LYS 7 HD2 LYS 7 189.069 -9.596 -6.313 644 HD3 LYS 7 HD1 LYS 7 189.768 -7.980 -6.188 645 HE2 LYS 7 HE2 LYS 7 190.614 -8.522 -3.958 646 HE3 LYS 7 HE1 LYS 7 189.914 -10.134 -4.081 647 HZ1 LYS 7 HZ1 LYS 7 192.033 -9.030 -5.847 648 HZ2 LYS 7 HZ2 LYS 7 191.361 -10.579 -5.964 649 HZ3 LYS 7 HZ3 LYS 7 192.270 -10.153 -4.602 650 H LEU 8 HN LEU 8 185.621 -6.932 -2.814 651 HA LEU 8 HA LEU 8 186.163 -4.062 -3.217 652 HB2 LEU 8 HB2 LEU 8 183.783 -4.735 -2.537 653 HB3 LEU 8 HB1 LEU 8 184.473 -5.157 -0.982 654 HG LEU 8 HG LEU 8 183.450 -2.937 -0.940 655 HD11 LEU 8 HD11 LEU 8 186.441 -2.658 -0.781 656 HD12 LEU 8 HD12 LEU 8 185.472 -3.489 0.434 657 HD13 LEU 8 HD13 LEU 8 185.218 -1.771 0.128 658 HD21 LEU 8 HD21 LEU 8 183.789 -2.368 -3.300 659 HD22 LEU 8 HD22 LEU 8 185.519 -2.198 -3.005 660 HD23 LEU 8 HD23 LEU 8 184.381 -1.099 -2.226 661 H VAL 9 HN VAL 9 188.110 -3.596 -2.448 662 HA VAL 9 HA VAL 9 189.035 -4.973 -0.011 663 HB VAL 9 HB VAL 9 191.334 -4.447 -0.737 664 HG11 VAL 9 HG11 VAL 9 189.715 -5.963 -2.779 665 HG12 VAL 9 HG12 VAL 9 190.360 -6.616 -1.273 666 HG13 VAL 9 HG13 VAL 9 191.458 -6.087 -2.548 667 HG21 VAL 9 HG21 VAL 9 191.736 -3.681 -3.035 668 HG22 VAL 9 HG22 VAL 9 190.871 -2.474 -2.084 669 HG23 VAL 9 HG23 VAL 9 190.000 -3.460 -3.258 670 H CYS 10 HN CYS 10 190.717 -3.612 1.210 671 HA CYS 10 HA CYS 10 190.144 -0.751 1.131 672 HB2 CYS 10 HB2 CYS 10 188.488 -1.663 2.692 673 HB3 CYS 10 HB1 CYS 10 189.772 -2.438 3.614 674 HG CYS 10 HG CYS 10 190.566 -0.355 4.972 675 H ASP 11 HN ASP 11 191.780 0.535 1.939 676 HA ASP 11 HA ASP 11 194.244 -0.891 2.700 677 HB2 ASP 11 HB2 ASP 11 193.948 1.764 1.277 678 HB3 ASP 11 HB1 ASP 11 195.477 1.023 1.739 679 H GLY 12 HN GLY 12 194.685 -0.693 4.789 680 HA2 GLY 12 HA2 GLY 12 193.554 1.417 6.386 681 HA3 GLY 12 HA1 GLY 12 194.617 0.137 6.949 682 H ASP 13 HN ASP 13 196.618 0.830 4.841 683 HA ASP 13 HA ASP 13 198.267 2.492 6.361 684 HB2 ASP 13 HB2 ASP 13 198.385 1.921 3.391 685 HB3 ASP 13 HB1 ASP 13 199.691 2.617 4.343 686 H THR 14 HN THR 14 196.550 3.274 3.332 687 HA THR 14 HA THR 14 196.934 6.121 3.893 688 HB THR 14 HB THR 14 196.148 6.499 1.591 689 HG1 THR 14 HG1 THR 14 196.036 3.652 1.439 690 HG21 THR 14 HG21 THR 14 198.535 6.143 1.987 691 HG22 THR 14 HG22 THR 14 198.052 5.483 0.425 692 HG23 THR 14 HG23 THR 14 198.315 4.403 1.795 693 H TYR 15 HN TYR 15 194.739 3.913 4.776 694 HA TYR 15 HA TYR 15 192.573 3.970 5.460 695 HB2 TYR 15 HB2 TYR 15 192.872 6.969 5.221 696 HB3 TYR 15 HB1 TYR 15 191.664 6.108 6.170 697 HD1 TYR 15 HD1 TYR 15 192.589 4.524 8.024 698 HD2 TYR 15 HD2 TYR 15 194.842 7.659 6.236 699 HE1 TYR 15 HE1 TYR 15 194.097 4.540 9.966 700 HE2 TYR 15 HE2 TYR 15 196.357 7.683 8.173 701 HH TYR 15 HH TYR 15 196.327 7.030 10.543 702 H LYS 16 HN LYS 16 193.298 4.078 2.525 703 HA LYS 16 HA LYS 16 190.818 5.236 1.461 704 HB2 LYS 16 HB2 LYS 16 193.334 4.361 0.032 705 HB3 LYS 16 HB1 LYS 16 191.911 5.029 -0.753 706 HG2 LYS 16 HG2 LYS 16 192.217 7.122 0.471 707 HG3 LYS 16 HG1 LYS 16 193.650 6.451 1.252 708 HD2 LYS 16 HD2 LYS 16 194.729 6.210 -0.927 709 HD3 LYS 16 HD1 LYS 16 193.290 6.855 -1.718 710 HE2 LYS 16 HE2 LYS 16 193.582 8.969 -0.526 711 HE3 LYS 16 HE1 LYS 16 195.013 8.324 0.276 712 HZ1 LYS 16 HZ1 LYS 16 195.610 9.705 -1.609 713 HZ2 LYS 16 HZ2 LYS 16 194.704 8.729 -2.651 714 HZ3 LYS 16 HZ3 LYS 16 196.076 8.102 -1.886 715 H CYS 17 HN CYS 17 189.296 4.007 0.481 716 HA CYS 17 HA CYS 17 189.720 1.098 0.539 717 HB2 CYS 17 HB2 CYS 17 187.885 1.902 1.956 718 HB3 CYS 17 HB1 CYS 17 187.137 2.674 0.562 719 HG CYS 17 HG CYS 17 187.257 -0.162 -0.615 720 H THR 18 HN THR 18 189.892 0.052 -1.327 721 HA THR 18 HA THR 18 189.148 1.448 -3.796 722 HB THR 18 HB THR 18 190.833 -1.044 -3.465 723 HG1 THR 18 HG1 THR 18 191.879 0.783 -2.593 724 HG21 THR 18 HG21 THR 18 191.535 -0.554 -5.784 725 HG22 THR 18 HG22 THR 18 190.357 0.757 -5.845 726 HG23 THR 18 HG23 THR 18 189.812 -0.911 -5.666 727 H ALA 19 HN ALA 19 188.039 0.312 -5.488 728 HA ALA 19 HA ALA 19 186.617 -2.121 -4.714 729 HB1 ALA 19 HB1 ALA 19 185.167 0.326 -5.711 730 HB2 ALA 19 HB2 ALA 19 185.192 -0.216 -4.033 731 HB3 ALA 19 HB3 ALA 19 184.450 -1.225 -5.276 732 H TYR 20 HN TYR 20 185.974 -3.407 -6.425 733 HA TYR 20 HA TYR 20 186.990 -2.572 -9.059 734 HB2 TYR 20 HB2 TYR 20 186.617 -5.338 -7.895 735 HB3 TYR 20 HB1 TYR 20 187.104 -5.019 -9.556 736 HD1 TYR 20 HD1 TYR 20 189.327 -4.122 -10.049 737 HD2 TYR 20 HD2 TYR 20 188.159 -5.034 -6.062 738 HE1 TYR 20 HE1 TYR 20 191.680 -4.025 -9.345 739 HE2 TYR 20 HE2 TYR 20 190.510 -4.937 -5.345 740 HH TYR 20 HH TYR 20 192.973 -3.648 -7.289 741 H LEU 21 HN LEU 21 185.493 -2.034 -10.487 742 HA LEU 21 HA LEU 21 182.734 -2.834 -10.106 743 HB2 LEU 21 HB2 LEU 21 183.987 -1.135 -12.264 744 HB3 LEU 21 HB1 LEU 21 182.267 -1.337 -11.990 745 HG LEU 21 HG LEU 21 184.223 0.002 -10.121 746 HD11 LEU 21 HD11 LEU 21 182.946 2.021 -10.633 747 HD12 LEU 21 HD12 LEU 21 181.959 1.108 -11.775 748 HD13 LEU 21 HD13 LEU 21 183.680 1.338 -12.083 749 HD21 LEU 21 HD21 LEU 21 182.505 -1.191 -8.875 750 HD22 LEU 21 HD22 LEU 21 181.250 -0.420 -9.846 751 HD23 LEU 21 HD23 LEU 21 182.257 0.552 -8.773 752 H ASP 22 HN ASP 22 181.452 -3.785 -11.807 753 HA ASP 22 HA ASP 22 182.982 -5.772 -13.324 754 HB2 ASP 22 HB2 ASP 22 181.213 -6.581 -11.785 755 HB3 ASP 22 HB1 ASP 22 180.018 -5.686 -12.718 756 H TYR 23 HN TYR 23 182.382 -2.851 -14.040 757 HA TYR 23 HA TYR 23 180.820 -3.184 -16.478 758 HB2 TYR 23 HB2 TYR 23 180.374 -1.211 -15.108 759 HB3 TYR 23 HB1 TYR 23 182.060 -0.721 -15.232 760 HD1 TYR 23 HD1 TYR 23 178.881 -1.043 -17.057 761 HD2 TYR 23 HD2 TYR 23 182.894 0.362 -17.207 762 HE1 TYR 23 HE1 TYR 23 178.349 0.242 -19.085 763 HE2 TYR 23 HE2 TYR 23 182.372 1.651 -19.235 764 HH TYR 23 HH TYR 23 179.199 2.203 -20.299 765 H GLY 24 HN GLY 24 181.743 -3.631 -18.362 766 HA2 GLY 24 HA2 GLY 24 183.262 -3.501 -20.109 767 HA3 GLY 24 HA1 GLY 24 184.257 -2.440 -19.123 768 H ASP 25 HN ASP 25 186.087 -3.629 -19.920 769 HA ASP 25 HA ASP 25 186.457 -6.386 -19.562 770 HB2 ASP 25 HB2 ASP 25 188.530 -4.183 -19.626 771 HB3 ASP 25 HB1 ASP 25 188.865 -5.901 -19.815 772 H GLY 26 HN GLY 26 186.722 -3.714 -17.352 773 HA2 GLY 26 HA2 GLY 26 186.460 -4.260 -14.982 774 HA3 GLY 26 HA1 GLY 26 187.541 -5.619 -15.248 775 H LYS 27 HN LYS 27 188.165 -2.507 -16.686 776 HA LYS 27 HA LYS 27 190.571 -2.285 -15.030 777 HB2 LYS 27 HB2 LYS 27 189.818 -0.885 -17.602 778 HB3 LYS 27 HB1 LYS 27 191.342 -0.679 -16.746 779 HG2 LYS 27 HG2 LYS 27 190.335 -3.246 -17.959 780 HG3 LYS 27 HG1 LYS 27 191.577 -2.191 -18.638 781 HD2 LYS 27 HD2 LYS 27 192.981 -2.579 -16.673 782 HD3 LYS 27 HD1 LYS 27 191.736 -3.626 -15.987 783 HE2 LYS 27 HE2 LYS 27 191.969 -5.146 -17.890 784 HE3 LYS 27 HE1 LYS 27 193.208 -4.097 -18.579 785 HZ1 LYS 27 HZ1 LYS 27 193.399 -5.522 -15.979 786 HZ2 LYS 27 HZ2 LYS 27 194.589 -4.517 -16.641 787 HZ3 LYS 27 HZ3 LYS 27 194.184 -5.968 -17.410 788 H TRP 28 HN TRP 28 187.702 -1.441 -14.347 789 HA TRP 28 HA TRP 28 188.294 1.375 -13.717 790 HB2 TRP 28 HB2 TRP 28 185.600 0.023 -13.986 791 HB3 TRP 28 HB1 TRP 28 185.857 1.714 -13.565 792 HD1 TRP 28 HD1 TRP 28 185.894 -0.673 -16.531 793 HE1 TRP 28 HE1 TRP 28 186.043 0.700 -18.703 794 HE3 TRP 28 HE3 TRP 28 186.761 3.946 -14.517 795 HZ2 TRP 28 HZ2 TRP 28 186.471 3.384 -19.463 796 HZ3 TRP 28 HZ3 TRP 28 187.029 5.863 -16.035 797 HH2 TRP 28 HH2 TRP 28 186.887 5.586 -18.458 798 H VAL 29 HN VAL 29 188.458 1.945 -11.640 799 HA VAL 29 HA VAL 29 187.270 0.237 -9.580 800 HB VAL 29 HB VAL 29 189.330 0.328 -8.225 801 HG11 VAL 29 HG11 VAL 29 188.856 -1.650 -9.560 802 HG12 VAL 29 HG12 VAL 29 190.592 -1.350 -9.492 803 HG13 VAL 29 HG13 VAL 29 189.680 -0.933 -10.943 804 HG21 VAL 29 HG21 VAL 29 190.582 1.459 -10.728 805 HG22 VAL 29 HG22 VAL 29 191.452 0.958 -9.277 806 HG23 VAL 29 HG23 VAL 29 190.334 2.320 -9.209 807 H ALA 30 HN ALA 30 186.587 1.309 -7.775 808 HA ALA 30 HA ALA 30 186.764 4.236 -7.883 809 HB1 ALA 30 HB1 ALA 30 184.796 4.257 -6.461 810 HB2 ALA 30 HB2 ALA 30 184.851 2.499 -6.328 811 HB3 ALA 30 HB3 ALA 30 184.513 3.256 -7.885 812 H GLN 31 HN GLN 31 187.307 5.456 -6.056 813 HA GLN 31 HA GLN 31 188.299 4.033 -3.709 814 HB2 GLN 31 HB2 GLN 31 189.970 5.934 -5.359 815 HB3 GLN 31 HB1 GLN 31 190.405 5.377 -3.749 816 HG2 GLN 31 HG2 GLN 31 190.410 3.058 -4.590 817 HG3 GLN 31 HG1 GLN 31 190.078 3.675 -6.208 818 HE21 GLN 31 HE21 GLN 31 191.992 2.833 -7.025 819 HE22 GLN 31 HE22 GLN 31 193.533 3.525 -6.662 820 H TRP 32 HN TRP 32 188.175 5.181 -1.820 821 HA TRP 32 HA TRP 32 187.627 8.023 -1.856 822 HB2 TRP 32 HB2 TRP 32 185.503 7.818 -0.618 823 HB3 TRP 32 HB1 TRP 32 185.395 7.114 -2.227 824 HD1 TRP 32 HD1 TRP 32 185.299 6.180 1.464 825 HE1 TRP 32 HE1 TRP 32 184.483 3.749 1.687 826 HE3 TRP 32 HE3 TRP 32 185.359 4.845 -3.472 827 HZ2 TRP 32 HZ2 TRP 32 183.939 1.556 -0.004 828 HZ3 TRP 32 HZ3 TRP 32 184.677 2.562 -4.084 829 HH2 TRP 32 HH2 TRP 32 183.982 0.952 -2.385 830 H ASP 33 HN ASP 33 188.268 9.013 -0.011 831 HA ASP 33 HA ASP 33 189.933 7.664 1.791 832 HB2 ASP 33 HB2 ASP 33 188.551 10.335 2.127 833 HB3 ASP 33 HB1 ASP 33 189.899 9.758 3.101 834 H THR 34 HN THR 34 189.681 7.260 4.049 835 HA THR 34 HA THR 34 187.000 7.273 5.162 836 HB THR 34 HB THR 34 187.005 4.890 5.731 837 HG1 THR 34 HG1 THR 34 188.758 3.742 5.458 838 HG21 THR 34 HG21 THR 34 185.882 5.608 3.672 839 HG22 THR 34 HG22 THR 34 186.553 3.987 3.505 840 HG23 THR 34 HG23 THR 34 187.378 5.363 2.771 841 H ALA 35 HN ALA 35 187.199 5.963 7.407 842 HA ALA 35 HA ALA 35 189.667 6.909 8.713 843 HB1 ALA 35 HB1 ALA 35 187.791 8.368 9.277 844 HB2 ALA 35 HB2 ALA 35 188.344 7.470 10.689 845 HB3 ALA 35 HB3 ALA 35 186.873 6.976 9.852 846 H VAL 36 HN VAL 36 190.801 5.314 9.582 847 HA VAL 36 HA VAL 36 189.373 2.897 10.486 848 HB VAL 36 HB VAL 36 192.196 3.012 9.417 849 HG11 VAL 36 HG11 VAL 36 192.032 0.566 9.407 850 HG12 VAL 36 HG12 VAL 36 190.429 0.675 10.134 851 HG13 VAL 36 HG13 VAL 36 191.843 1.227 11.032 852 HG21 VAL 36 HG21 VAL 36 191.302 1.860 7.442 853 HG22 VAL 36 HG22 VAL 36 190.603 3.468 7.638 854 HG23 VAL 36 HG23 VAL 36 189.669 2.039 8.086 855 H PHE 37 HN PHE 37 189.830 2.101 12.479 856 HA PHE 37 HA PHE 37 192.129 3.041 13.968 857 HB2 PHE 37 HB2 PHE 37 190.807 3.902 15.851 858 HB3 PHE 37 HB1 PHE 37 190.498 4.824 14.383 859 HD1 PHE 37 HD1 PHE 37 188.353 4.728 13.280 860 HD2 PHE 37 HD2 PHE 37 189.110 2.461 16.802 861 HE1 PHE 37 HE1 PHE 37 185.939 4.331 13.539 862 HE2 PHE 37 HE2 PHE 37 186.698 2.059 17.066 863 HZ PHE 37 HZ PHE 37 185.109 2.995 15.433 864 H HIS 38 HN HIS 38 192.047 2.066 16.268 865 HA HIS 38 HA HIS 38 191.398 -0.752 15.947 866 HB2 HIS 38 HB2 HIS 38 193.627 -0.116 16.782 867 HB3 HIS 38 HB1 HIS 38 192.881 0.674 18.167 868 HD1 HIS 38 HD1 HIS 38 192.246 -0.779 20.135 869 HD2 HIS 38 HD2 HIS 38 193.446 -2.975 16.817 870 HE1 HIS 38 HE1 HIS 38 192.474 -3.150 20.943 871 HE2 HIS 38 HE2 HIS 38 193.201 -4.463 18.919 872 H THR 39 HN THR 39 189.761 -1.767 16.925 873 HA THR 39 HA THR 39 187.938 -0.196 18.556 874 HB THR 39 HB THR 39 186.420 -2.127 18.370 875 HG1 THR 39 HG1 THR 39 188.384 -3.308 16.686 876 HG21 THR 39 HG21 THR 39 186.385 -0.420 16.621 877 HG22 THR 39 HG22 THR 39 186.043 -2.013 15.949 878 HG23 THR 39 HG23 THR 39 187.636 -1.291 15.735 879 H THR 40 HN THR 40 187.184 -0.852 20.612 880 HA THR 40 HA THR 40 188.747 -2.904 22.000 881 HB THR 40 HB THR 40 189.093 -1.435 23.945 882 HG1 THR 40 HG1 THR 40 188.716 0.833 23.644 883 HG21 THR 40 HG21 THR 40 190.856 -0.027 22.985 884 HG22 THR 40 HG22 THR 40 190.196 -0.297 21.372 885 HG23 THR 40 HG23 THR 40 190.877 -1.645 22.284 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 171.282 -2.060 16.763 2 H2 ALA 1 HT2 ALA 1 172.948 -1.892 16.552 3 H3 ALA 1 HT3 ALA 1 172.083 -2.983 15.591 4 HA ALA 1 HA ALA 1 170.744 -0.871 14.936 5 HB1 ALA 1 HB1 ALA 1 172.041 1.140 14.903 6 HB2 ALA 1 HB2 ALA 1 173.437 0.308 15.582 7 HB3 ALA 1 HB3 ALA 1 171.988 0.534 16.557 8 HA PRO 2 HA PRO 2 174.585 -1.287 11.822 9 HB2 PRO 2 HB2 PRO 2 175.499 -3.913 12.892 10 HB3 PRO 2 HB1 PRO 2 176.445 -2.588 12.198 11 HG2 PRO 2 HG2 PRO 2 176.449 -3.007 14.817 12 HG3 PRO 2 HG1 PRO 2 176.444 -1.362 14.152 13 HD2 PRO 2 HD2 PRO 2 174.216 -2.899 15.393 14 HD3 PRO 2 HD1 PRO 2 174.575 -1.163 15.468 15 H VAL 3 HN VAL 3 174.013 -2.139 9.896 16 HA VAL 3 HA VAL 3 172.441 -4.624 9.882 17 HB VAL 3 HB VAL 3 170.994 -3.683 8.117 18 HG11 VAL 3 HG11 VAL 3 170.240 -3.664 10.430 19 HG12 VAL 3 HG12 VAL 3 169.656 -2.236 9.575 20 HG13 VAL 3 HG13 VAL 3 171.019 -2.102 10.685 21 HG21 VAL 3 HG21 VAL 3 170.969 -1.202 7.832 22 HG22 VAL 3 HG22 VAL 3 172.407 -1.990 7.184 23 HG23 VAL 3 HG23 VAL 3 172.488 -1.136 8.725 24 HA PRO 4 HA PRO 4 175.612 -5.771 6.932 25 HB2 PRO 4 HB2 PRO 4 173.617 -7.840 6.192 26 HB3 PRO 4 HB1 PRO 4 175.304 -8.029 6.689 27 HG2 PRO 4 HG2 PRO 4 173.329 -8.668 8.347 28 HG3 PRO 4 HG1 PRO 4 174.815 -7.900 8.938 29 HD2 PRO 4 HD2 PRO 4 172.121 -6.698 8.494 30 HD3 PRO 4 HD1 PRO 4 173.303 -6.386 9.783 31 H VAL 5 HN VAL 5 175.924 -5.685 4.697 32 HA VAL 5 HA VAL 5 173.774 -4.347 3.230 33 HB VAL 5 HB VAL 5 176.676 -4.685 2.456 34 HG11 VAL 5 HG11 VAL 5 176.203 -2.905 0.831 35 HG12 VAL 5 HG12 VAL 5 174.505 -2.935 1.305 36 HG13 VAL 5 HG13 VAL 5 175.230 -4.345 0.534 37 HG21 VAL 5 HG21 VAL 5 176.929 -2.335 3.111 38 HG22 VAL 5 HG22 VAL 5 176.464 -3.347 4.478 39 HG23 VAL 5 HG23 VAL 5 175.263 -2.322 3.691 40 H THR 6 HN THR 6 172.776 -5.216 1.500 41 HA THR 6 HA THR 6 173.444 -7.984 0.817 42 HB THR 6 HB THR 6 171.247 -8.052 -0.291 43 HG1 THR 6 HG1 THR 6 170.962 -5.382 0.677 44 HG21 THR 6 HG21 THR 6 171.391 -8.638 2.077 45 HG22 THR 6 HG22 THR 6 169.854 -7.849 1.720 46 HG23 THR 6 HG23 THR 6 171.142 -6.949 2.519 47 H LYS 7 HN LYS 7 172.315 -5.117 -0.984 48 HA LYS 7 HA LYS 7 174.015 -5.976 -3.231 49 HB2 LYS 7 HB2 LYS 7 171.626 -5.968 -3.762 50 HB3 LYS 7 HB1 LYS 7 171.505 -4.289 -3.255 51 HG2 LYS 7 HG2 LYS 7 173.012 -3.634 -5.065 52 HG3 LYS 7 HG1 LYS 7 173.121 -5.319 -5.578 53 HD2 LYS 7 HD2 LYS 7 170.601 -3.659 -5.489 54 HD3 LYS 7 HD1 LYS 7 171.518 -4.064 -6.941 55 HE2 LYS 7 HE2 LYS 7 170.151 -6.019 -5.095 56 HE3 LYS 7 HE1 LYS 7 169.584 -5.527 -6.691 57 HZ1 LYS 7 HZ1 LYS 7 172.124 -6.962 -6.127 58 HZ2 LYS 7 HZ2 LYS 7 171.576 -6.494 -7.657 59 HZ3 LYS 7 HZ3 LYS 7 170.721 -7.655 -6.773 60 H LEU 8 HN LEU 8 175.450 -4.556 -4.131 61 HA LEU 8 HA LEU 8 175.481 -1.795 -3.156 62 HB2 LEU 8 HB2 LEU 8 177.003 -3.410 -1.814 63 HB3 LEU 8 HB1 LEU 8 178.027 -3.379 -3.236 64 HG LEU 8 HG LEU 8 178.862 -1.798 -1.624 65 HD11 LEU 8 HD11 LEU 8 177.473 -0.285 -3.826 66 HD12 LEU 8 HD12 LEU 8 178.966 -1.201 -4.022 67 HD13 LEU 8 HD13 LEU 8 178.926 0.200 -2.952 68 HD21 LEU 8 HD21 LEU 8 176.119 -0.550 -1.722 69 HD22 LEU 8 HD22 LEU 8 177.518 0.106 -0.874 70 HD23 LEU 8 HD23 LEU 8 176.819 -1.429 -0.362 71 H VAL 9 HN VAL 9 175.255 -0.697 -5.003 72 HA VAL 9 HA VAL 9 176.932 -1.476 -7.299 73 HB VAL 9 HB VAL 9 175.283 -0.288 -8.725 74 HG11 VAL 9 HG11 VAL 9 174.171 -2.521 -7.032 75 HG12 VAL 9 HG12 VAL 9 175.151 -2.696 -8.488 76 HG13 VAL 9 HG13 VAL 9 173.530 -2.009 -8.593 77 HG21 VAL 9 HG21 VAL 9 173.082 0.265 -7.791 78 HG22 VAL 9 HG22 VAL 9 174.366 1.229 -7.060 79 HG23 VAL 9 HG23 VAL 9 173.673 -0.132 -6.178 80 H CYS 10 HN CYS 10 177.268 0.505 -8.818 81 HA CYS 10 HA CYS 10 177.764 2.941 -7.266 82 HB2 CYS 10 HB2 CYS 10 179.830 1.558 -8.990 83 HB3 CYS 10 HB1 CYS 10 180.025 3.142 -8.246 84 HG CYS 10 HG CYS 10 181.243 2.121 -6.233 85 H ASP 11 HN ASP 11 177.689 4.843 -8.434 86 HA ASP 11 HA ASP 11 176.741 4.569 -11.209 87 HB2 ASP 11 HB2 ASP 11 175.077 5.514 -9.662 88 HB3 ASP 11 HB1 ASP 11 176.208 6.790 -9.222 89 H GLY 12 HN GLY 12 178.153 5.161 -12.706 90 HA2 GLY 12 HA2 GLY 12 180.459 6.765 -12.012 91 HA3 GLY 12 HA1 GLY 12 180.135 6.019 -13.569 92 H ASP 13 HN ASP 13 177.364 7.320 -13.426 93 HA ASP 13 HA ASP 13 177.886 9.501 -15.078 94 HB2 ASP 13 HB2 ASP 13 175.441 8.990 -13.371 95 HB3 ASP 13 HB1 ASP 13 175.525 10.119 -14.719 96 H THR 14 HN THR 14 177.580 9.306 -11.592 97 HA THR 14 HA THR 14 178.495 12.089 -11.417 98 HB THR 14 HB THR 14 176.989 12.528 -9.526 99 HG1 THR 14 HG1 THR 14 175.868 9.992 -10.197 100 HG21 THR 14 HG21 THR 14 175.547 11.616 -12.018 101 HG22 THR 14 HG22 THR 14 176.283 13.198 -11.766 102 HG23 THR 14 HG23 THR 14 174.895 12.706 -10.796 103 H TYR 15 HN TYR 15 179.451 9.147 -10.914 104 HA TYR 15 HA TYR 15 180.899 8.095 -9.513 105 HB2 TYR 15 HB2 TYR 15 181.391 10.865 -8.406 106 HB3 TYR 15 HB1 TYR 15 182.458 9.473 -8.258 107 HD1 TYR 15 HD1 TYR 15 183.323 8.450 -10.488 108 HD2 TYR 15 HD2 TYR 15 181.692 12.366 -10.153 109 HE1 TYR 15 HE1 TYR 15 184.456 9.094 -12.574 110 HE2 TYR 15 HE2 TYR 15 182.820 13.020 -12.239 111 HH TYR 15 HH TYR 15 184.751 12.319 -13.585 112 H LYS 16 HN LYS 16 178.055 8.754 -8.644 113 HA LYS 16 HA LYS 16 178.314 8.790 -5.746 114 HB2 LYS 16 HB2 LYS 16 175.897 8.755 -7.558 115 HB3 LYS 16 HB1 LYS 16 175.806 8.758 -5.802 116 HG2 LYS 16 HG2 LYS 16 176.995 10.910 -5.763 117 HG3 LYS 16 HG1 LYS 16 177.015 10.910 -7.528 118 HD2 LYS 16 HD2 LYS 16 174.590 10.939 -7.584 119 HD3 LYS 16 HD1 LYS 16 174.526 10.840 -5.823 120 HE2 LYS 16 HE2 LYS 16 175.662 13.002 -5.663 121 HE3 LYS 16 HE1 LYS 16 175.732 13.097 -7.422 122 HZ1 LYS 16 HZ1 LYS 16 173.250 13.016 -5.791 123 HZ2 LYS 16 HZ2 LYS 16 173.315 13.107 -7.478 124 HZ3 LYS 16 HZ3 LYS 16 173.895 14.389 -6.541 125 H CYS 17 HN CYS 17 178.374 7.021 -4.537 126 HA CYS 17 HA CYS 17 177.828 4.438 -5.793 127 HB2 CYS 17 HB2 CYS 17 179.987 4.714 -4.660 128 HB3 CYS 17 HB1 CYS 17 179.159 5.100 -3.156 129 HG CYS 17 HG CYS 17 177.822 2.414 -3.451 130 H THR 18 HN THR 18 175.939 3.479 -5.487 131 HA THR 18 HA THR 18 174.258 4.311 -3.239 132 HB THR 18 HB THR 18 173.516 2.635 -5.646 133 HG1 THR 18 HG1 THR 18 174.025 4.807 -6.201 134 HG21 THR 18 HG21 THR 18 171.205 3.125 -4.973 135 HG22 THR 18 HG22 THR 18 171.802 3.965 -3.544 136 HG23 THR 18 HG23 THR 18 172.067 2.231 -3.722 137 H ALA 19 HN ALA 19 173.196 2.763 -1.909 138 HA ALA 19 HA ALA 19 174.197 0.020 -1.999 139 HB1 ALA 19 HB1 ALA 19 174.842 0.029 0.342 140 HB2 ALA 19 HB2 ALA 19 174.409 1.733 0.474 141 HB3 ALA 19 HB3 ALA 19 175.759 1.244 -0.550 142 H TYR 20 HN TYR 20 172.822 -1.492 -1.112 143 HA TYR 20 HA TYR 20 170.187 -0.467 -0.295 144 HB2 TYR 20 HB2 TYR 20 170.921 -3.127 -1.538 145 HB3 TYR 20 HB1 TYR 20 169.296 -2.649 -1.053 146 HD1 TYR 20 HD1 TYR 20 172.026 -2.003 -3.447 147 HD2 TYR 20 HD2 TYR 20 167.978 -1.193 -2.416 148 HE1 TYR 20 HE1 TYR 20 171.671 -0.995 -5.661 149 HE2 TYR 20 HE2 TYR 20 167.611 -0.183 -4.629 150 HH TYR 20 HH TYR 20 169.805 -0.523 -7.193 151 H LEU 21 HN LEU 21 169.735 -0.647 1.788 152 HA LEU 21 HA LEU 21 171.247 -2.478 3.461 153 HB2 LEU 21 HB2 LEU 21 169.150 -0.434 4.193 154 HB3 LEU 21 HB1 LEU 21 170.124 -1.344 5.331 155 HG LEU 21 HG LEU 21 171.136 0.708 3.362 156 HD11 LEU 21 HD11 LEU 21 169.949 1.671 5.261 157 HD12 LEU 21 HD12 LEU 21 171.680 1.997 5.362 158 HD13 LEU 21 HD13 LEU 21 170.959 0.744 6.371 159 HD21 LEU 21 HD21 LEU 21 172.745 -1.103 3.659 160 HD22 LEU 21 HD22 LEU 21 172.638 -0.919 5.410 161 HD23 LEU 21 HD23 LEU 21 173.310 0.382 4.427 162 H ASP 22 HN ASP 22 170.279 -3.998 4.875 163 HA ASP 22 HA ASP 22 167.825 -5.157 3.787 164 HB2 ASP 22 HB2 ASP 22 169.819 -6.603 4.052 165 HB3 ASP 22 HB1 ASP 22 169.783 -6.306 5.788 166 H TYR 23 HN TYR 23 168.116 -2.780 5.722 167 HA TYR 23 HA TYR 23 166.954 -3.654 8.180 168 HB2 TYR 23 HB2 TYR 23 168.326 -1.628 8.068 169 HB3 TYR 23 HB1 TYR 23 167.163 -0.886 6.976 170 HD1 TYR 23 HD1 TYR 23 165.081 0.015 7.801 171 HD2 TYR 23 HD2 TYR 23 167.806 -1.909 10.442 172 HE1 TYR 23 HE1 TYR 23 163.858 0.933 9.726 173 HE2 TYR 23 HE2 TYR 23 166.589 -0.997 12.373 174 HH TYR 23 HH TYR 23 163.523 0.427 12.108 175 H GLY 24 HN GLY 24 164.878 -4.005 8.646 176 HA2 GLY 24 HA2 GLY 24 162.576 -3.896 8.535 177 HA3 GLY 24 HA1 GLY 24 162.740 -2.573 7.391 178 H ASP 25 HN ASP 25 162.281 -2.946 5.311 179 HA ASP 25 HA ASP 25 161.754 -5.730 4.528 180 HB2 ASP 25 HB2 ASP 25 159.825 -4.209 4.399 181 HB3 ASP 25 HB1 ASP 25 160.724 -3.158 3.310 182 H GLY 26 HN GLY 26 163.216 -2.710 3.373 183 HA2 GLY 26 HA2 GLY 26 165.522 -3.283 2.375 184 HA3 GLY 26 HA1 GLY 26 164.567 -4.235 1.249 185 H LYS 27 HN LYS 27 163.945 -1.014 2.605 186 HA LYS 27 HA LYS 27 163.841 0.012 -0.152 187 HB2 LYS 27 HB2 LYS 27 162.456 1.040 2.331 188 HB3 LYS 27 HB1 LYS 27 162.349 1.772 0.735 189 HG2 LYS 27 HG2 LYS 27 161.296 -0.254 -0.129 190 HG3 LYS 27 HG1 LYS 27 161.409 -0.994 1.469 191 HD2 LYS 27 HD2 LYS 27 159.974 0.764 2.385 192 HD3 LYS 27 HD1 LYS 27 159.869 1.512 0.789 193 HE2 LYS 27 HE2 LYS 27 157.886 0.175 1.263 194 HE3 LYS 27 HE1 LYS 27 158.797 -0.502 -0.086 195 HZ1 LYS 27 HZ1 LYS 27 158.066 -2.228 1.428 196 HZ2 LYS 27 HZ2 LYS 27 158.865 -1.481 2.718 197 HZ3 LYS 27 HZ3 LYS 27 159.756 -2.126 1.433 198 H TRP 28 HN TRP 28 165.131 0.530 3.058 199 HA TRP 28 HA TRP 28 166.179 3.105 2.715 200 HB2 TRP 28 HB2 TRP 28 167.232 0.837 4.418 201 HB3 TRP 28 HB1 TRP 28 167.700 2.526 4.575 202 HD1 TRP 28 HD1 TRP 28 164.771 0.155 5.257 203 HE1 TRP 28 HE1 TRP 28 163.146 1.306 6.888 204 HE3 TRP 28 HE3 TRP 28 166.898 4.803 5.378 205 HZ2 TRP 28 HZ2 TRP 28 162.811 3.848 8.069 206 HZ3 TRP 28 HZ3 TRP 28 165.864 6.538 6.784 207 HH2 TRP 28 HH2 TRP 28 163.862 6.068 8.101 208 H VAL 29 HN VAL 29 168.094 3.882 1.931 209 HA VAL 29 HA VAL 29 170.106 2.023 0.943 210 HB VAL 29 HB VAL 29 170.177 3.056 -1.290 211 HG11 VAL 29 HG11 VAL 29 168.169 1.982 -2.196 212 HG12 VAL 29 HG12 VAL 29 167.494 1.880 -0.570 213 HG13 VAL 29 HG13 VAL 29 168.952 0.976 -0.978 214 HG21 VAL 29 HG21 VAL 29 167.639 4.441 -0.428 215 HG22 VAL 29 HG22 VAL 29 168.306 4.442 -2.061 216 HG23 VAL 29 HG23 VAL 29 169.190 5.215 -0.745 217 H ALA 30 HN ALA 30 172.135 2.836 1.025 218 HA ALA 30 HA ALA 30 172.424 5.557 2.062 219 HB1 ALA 30 HB1 ALA 30 174.423 3.302 1.957 220 HB2 ALA 30 HB2 ALA 30 173.453 3.762 3.356 221 HB3 ALA 30 HB3 ALA 30 174.673 4.869 2.726 222 H GLN 31 HN GLN 31 174.221 6.888 1.277 223 HA GLN 31 HA GLN 31 175.246 6.281 -1.369 224 HB2 GLN 31 HB2 GLN 31 173.518 8.709 -0.863 225 HB3 GLN 31 HB1 GLN 31 174.434 8.406 -2.333 226 HG2 GLN 31 HG2 GLN 31 173.103 6.375 -2.716 227 HG3 GLN 31 HG1 GLN 31 172.159 6.744 -1.273 228 HE21 GLN 31 HE21 GLN 31 171.308 6.489 -4.052 229 HE22 GLN 31 HE22 GLN 31 170.554 7.987 -4.461 230 H TRP 32 HN TRP 32 177.107 7.397 -1.887 231 HA TRP 32 HA TRP 32 178.013 9.642 -0.348 232 HB2 TRP 32 HB2 TRP 32 180.020 8.538 0.578 233 HB3 TRP 32 HB1 TRP 32 178.532 7.877 1.249 234 HD1 TRP 32 HD1 TRP 32 181.467 6.950 -1.018 235 HE1 TRP 32 HE1 TRP 32 181.489 4.395 -1.334 236 HE3 TRP 32 HE3 TRP 32 177.020 5.813 1.235 237 HZ2 TRP 32 HZ2 TRP 32 179.841 2.191 -0.710 238 HZ3 TRP 32 HZ3 TRP 32 176.316 3.458 1.332 239 HH2 TRP 32 HH2 TRP 32 177.698 1.685 0.379 240 H ASP 33 HN ASP 33 179.251 10.865 -1.615 241 HA ASP 33 HA ASP 33 179.842 10.186 -4.261 242 HB2 ASP 33 HB2 ASP 33 181.101 12.322 -2.526 243 HB3 ASP 33 HB1 ASP 33 181.225 12.236 -4.281 244 H THR 34 HN THR 34 181.822 9.774 -5.319 245 HA THR 34 HA THR 34 184.144 9.074 -3.719 246 HB THR 34 HB THR 34 184.347 6.815 -4.642 247 HG1 THR 34 HG1 THR 34 183.080 6.188 -6.215 248 HG21 THR 34 HG21 THR 34 182.564 5.737 -3.359 249 HG22 THR 34 HG22 THR 34 181.688 7.266 -3.281 250 HG23 THR 34 HG23 THR 34 183.246 7.100 -2.471 251 H ALA 35 HN ALA 35 185.799 7.957 -5.403 252 HA ALA 35 HA ALA 35 185.803 9.690 -7.789 253 HB1 ALA 35 HB1 ALA 35 188.240 9.743 -7.642 254 HB2 ALA 35 HB2 ALA 35 188.179 8.746 -6.188 255 HB3 ALA 35 HB3 ALA 35 187.499 10.373 -6.170 256 H VAL 36 HN VAL 36 185.669 8.626 -9.641 257 HA VAL 36 HA VAL 36 186.723 5.875 -9.770 258 HB VAL 36 HB VAL 36 184.352 6.940 -11.309 259 HG11 VAL 36 HG11 VAL 36 185.479 4.153 -11.059 260 HG12 VAL 36 HG12 VAL 36 185.561 5.187 -12.485 261 HG13 VAL 36 HG13 VAL 36 184.002 4.591 -11.917 262 HG21 VAL 36 HG21 VAL 36 184.422 5.106 -8.915 263 HG22 VAL 36 HG22 VAL 36 182.988 5.505 -9.862 264 HG23 VAL 36 HG23 VAL 36 183.816 6.762 -8.941 265 H PHE 37 HN PHE 37 188.049 5.381 -11.434 266 HA PHE 37 HA PHE 37 188.209 7.127 -13.752 267 HB2 PHE 37 HB2 PHE 37 190.650 7.426 -13.525 268 HB3 PHE 37 HB1 PHE 37 189.766 8.181 -12.202 269 HD1 PHE 37 HD1 PHE 37 189.870 7.269 -9.954 270 HD2 PHE 37 HD2 PHE 37 192.066 5.519 -13.152 271 HE1 PHE 37 HE1 PHE 37 191.235 6.024 -8.330 272 HE2 PHE 37 HE2 PHE 37 193.435 4.270 -11.533 273 HZ PHE 37 HZ PHE 37 193.020 4.522 -9.118 274 H HIS 38 HN HIS 38 189.346 6.198 -15.527 275 HA HIS 38 HA HIS 38 189.314 3.287 -15.459 276 HB2 HIS 38 HB2 HIS 38 188.157 4.440 -17.296 277 HB3 HIS 38 HB1 HIS 38 189.672 5.195 -17.780 278 HD1 HIS 38 HD1 HIS 38 191.187 3.874 -19.296 279 HD2 HIS 38 HD2 HIS 38 188.068 1.598 -17.758 280 HE1 HIS 38 HE1 HIS 38 191.271 1.690 -20.541 281 HE2 HIS 38 HE2 HIS 38 189.374 0.327 -19.594 282 H THR 39 HN THR 39 191.075 2.019 -15.559 283 HA THR 39 HA THR 39 193.682 3.312 -15.419 284 HB THR 39 HB THR 39 194.534 1.093 -14.777 285 HG1 THR 39 HG1 THR 39 191.829 0.214 -14.864 286 HG21 THR 39 HG21 THR 39 192.062 1.925 -13.253 287 HG22 THR 39 HG22 THR 39 193.685 2.579 -13.034 288 HG23 THR 39 HG23 THR 39 193.352 0.894 -12.634 289 H THR 40 HN THR 40 195.487 2.569 -16.678 290 HA THR 40 HA THR 40 194.833 1.124 -19.138 291 HB THR 40 HB THR 40 196.035 2.766 -20.522 292 HG1 THR 40 HG1 THR 40 196.409 4.870 -19.499 293 HG21 THR 40 HG21 THR 40 194.326 4.524 -20.511 294 HG22 THR 40 HG22 THR 40 193.770 3.975 -18.930 295 HG23 THR 40 HG23 THR 40 193.600 2.926 -20.337 296 H1 ALA 1 HT1 ALA 1 200.374 -4.810 0.506 297 H2 ALA 1 HT2 ALA 1 199.446 -4.066 -0.691 298 H3 ALA 1 HT3 ALA 1 198.857 -5.441 0.098 299 HA ALA 1 HA ALA 1 199.166 -3.987 2.212 300 HB1 ALA 1 HB1 ALA 1 198.802 -1.649 1.857 301 HB2 ALA 1 HB2 ALA 1 198.652 -1.889 0.118 302 HB3 ALA 1 HB3 ALA 1 200.204 -2.149 0.910 303 HA PRO 2 HA PRO 2 194.614 -3.152 0.424 304 HB2 PRO 2 HB2 PRO 2 194.796 -5.216 -1.717 305 HB3 PRO 2 HB1 PRO 2 193.924 -3.677 -1.708 306 HG2 PRO 2 HG2 PRO 2 196.171 -3.934 -3.092 307 HG3 PRO 2 HG1 PRO 2 195.801 -2.435 -2.216 308 HD2 PRO 2 HD2 PRO 2 197.715 -4.605 -1.514 309 HD3 PRO 2 HD1 PRO 2 197.841 -2.856 -1.252 310 H VAL 3 HN VAL 3 193.073 -4.249 1.511 311 HA VAL 3 HA VAL 3 193.460 -7.130 1.953 312 HB VAL 3 HB VAL 3 192.693 -6.863 4.285 313 HG11 VAL 3 HG11 VAL 3 195.075 -6.998 3.808 314 HG12 VAL 3 HG12 VAL 3 194.776 -5.921 5.173 315 HG13 VAL 3 HG13 VAL 3 195.145 -5.251 3.584 316 HG21 VAL 3 HG21 VAL 3 192.773 -4.574 5.281 317 HG22 VAL 3 HG22 VAL 3 191.444 -4.824 4.151 318 HG23 VAL 3 HG23 VAL 3 192.872 -3.922 3.646 319 HA PRO 4 HA PRO 4 189.265 -7.208 0.384 320 HB2 PRO 4 HB2 PRO 4 189.261 -9.891 1.654 321 HB3 PRO 4 HB1 PRO 4 188.901 -9.435 -0.017 322 HG2 PRO 4 HG2 PRO 4 191.181 -10.657 0.590 323 HG3 PRO 4 HG1 PRO 4 191.119 -9.379 -0.640 324 HD2 PRO 4 HD2 PRO 4 192.119 -9.247 2.167 325 HD3 PRO 4 HD1 PRO 4 192.750 -8.467 0.702 326 H VAL 5 HN VAL 5 187.167 -7.130 1.217 327 HA VAL 5 HA VAL 5 187.036 -6.729 4.113 328 HB VAL 5 HB VAL 5 184.981 -6.040 2.006 329 HG11 VAL 5 HG11 VAL 5 183.999 -4.634 3.765 330 HG12 VAL 5 HG12 VAL 5 185.191 -5.249 4.910 331 HG13 VAL 5 HG13 VAL 5 183.998 -6.341 4.207 332 HG21 VAL 5 HG21 VAL 5 185.744 -3.727 2.288 333 HG22 VAL 5 HG22 VAL 5 187.029 -4.767 1.676 334 HG23 VAL 5 HG23 VAL 5 187.019 -4.284 3.372 335 H THR 6 HN THR 6 185.858 -7.984 5.450 336 HA THR 6 HA THR 6 184.597 -10.358 4.291 337 HB THR 6 HB THR 6 184.620 -11.267 6.580 338 HG1 THR 6 HG1 THR 6 185.946 -8.833 7.258 339 HG21 THR 6 HG21 THR 6 186.560 -11.642 5.141 340 HG22 THR 6 HG22 THR 6 187.053 -11.478 6.827 341 HG23 THR 6 HG23 THR 6 187.281 -10.135 5.708 342 H LYS 7 HN LYS 7 183.899 -8.184 7.034 343 HA LYS 7 HA LYS 7 181.034 -8.487 6.424 344 HB2 LYS 7 HB2 LYS 7 181.662 -9.365 8.621 345 HB3 LYS 7 HB1 LYS 7 182.381 -7.819 9.050 346 HG2 LYS 7 HG2 LYS 7 180.184 -6.757 8.903 347 HG3 LYS 7 HG1 LYS 7 179.465 -8.314 8.485 348 HD2 LYS 7 HD2 LYS 7 180.911 -7.670 11.055 349 HD3 LYS 7 HD1 LYS 7 179.162 -7.790 10.859 350 HE2 LYS 7 HE2 LYS 7 181.160 -10.010 10.434 351 HE3 LYS 7 HE1 LYS 7 180.081 -9.835 11.817 352 HZ1 LYS 7 HZ1 LYS 7 179.227 -10.232 8.999 353 HZ2 LYS 7 HZ2 LYS 7 178.193 -10.070 10.327 354 HZ3 LYS 7 HZ3 LYS 7 179.212 -11.414 10.210 355 H LEU 8 HN LEU 8 179.768 -6.693 6.166 356 HA LEU 8 HA LEU 8 180.967 -4.061 6.616 357 HB2 LEU 8 HB2 LEU 8 181.242 -4.950 4.196 358 HB3 LEU 8 HB1 LEU 8 179.525 -4.626 4.047 359 HG LEU 8 HG LEU 8 180.765 -2.771 3.141 360 HD11 LEU 8 HD11 LEU 8 179.659 -1.972 5.825 361 HD12 LEU 8 HD12 LEU 8 178.685 -2.299 4.394 362 HD13 LEU 8 HD13 LEU 8 179.824 -0.954 4.395 363 HD21 LEU 8 HD21 LEU 8 182.096 -2.599 5.841 364 HD22 LEU 8 HD22 LEU 8 182.286 -1.441 4.525 365 HD23 LEU 8 HD23 LEU 8 182.859 -3.097 4.331 366 H VAL 9 HN VAL 9 179.588 -3.212 8.046 367 HA VAL 9 HA VAL 9 176.700 -3.451 7.507 368 HB VAL 9 HB VAL 9 176.356 -3.009 9.925 369 HG11 VAL 9 HG11 VAL 9 178.065 -5.404 9.271 370 HG12 VAL 9 HG12 VAL 9 176.315 -5.289 9.104 371 HG13 VAL 9 HG13 VAL 9 177.053 -5.236 10.704 372 HG21 VAL 9 HG21 VAL 9 178.259 -3.237 11.459 373 HG22 VAL 9 HG22 VAL 9 178.436 -1.841 10.397 374 HG23 VAL 9 HG23 VAL 9 179.354 -3.313 10.079 375 H CYS 10 HN CYS 10 175.466 -1.561 8.625 376 HA CYS 10 HA CYS 10 176.918 0.966 8.313 377 HB2 CYS 10 HB2 CYS 10 174.276 0.334 6.981 378 HB3 CYS 10 HB1 CYS 10 175.046 1.916 7.007 379 HG CYS 10 HG CYS 10 176.127 1.505 4.718 380 H ASP 11 HN ASP 11 176.171 2.652 9.572 381 HA ASP 11 HA ASP 11 174.131 1.915 11.564 382 HB2 ASP 11 HB2 ASP 11 176.375 2.277 12.504 383 HB3 ASP 11 HB1 ASP 11 176.408 3.894 11.809 384 H GLY 12 HN GLY 12 172.243 2.899 11.326 385 HA2 GLY 12 HA2 GLY 12 172.003 5.257 9.666 386 HA3 GLY 12 HA1 GLY 12 170.686 4.367 10.414 387 H ASP 13 HN ASP 13 172.250 4.592 13.041 388 HA ASP 13 HA ASP 13 170.839 6.728 14.137 389 HB2 ASP 13 HB2 ASP 13 173.395 5.458 15.143 390 HB3 ASP 13 HB1 ASP 13 172.316 6.473 16.097 391 H THR 14 HN THR 14 174.020 6.612 12.670 392 HA THR 14 HA THR 14 174.115 9.542 12.787 393 HB THR 14 HB THR 14 176.523 9.507 13.264 394 HG1 THR 14 HG1 THR 14 176.120 6.706 13.633 395 HG21 THR 14 HG21 THR 14 174.875 8.011 15.307 396 HG22 THR 14 HG22 THR 14 174.963 9.764 15.126 397 HG23 THR 14 HG23 THR 14 176.390 8.856 15.628 398 H TYR 15 HN TYR 15 173.738 7.171 10.774 399 HA TYR 15 HA TYR 15 174.170 6.780 8.577 400 HB2 TYR 15 HB2 TYR 15 175.276 9.595 8.592 401 HB3 TYR 15 HB1 TYR 15 174.737 8.689 7.182 402 HD1 TYR 15 HD1 TYR 15 172.248 7.934 7.189 403 HD2 TYR 15 HD2 TYR 15 173.796 11.013 9.684 404 HE1 TYR 15 HE1 TYR 15 169.978 8.836 7.473 405 HE2 TYR 15 HE2 TYR 15 171.530 11.922 9.977 406 HH TYR 15 HH TYR 15 169.368 11.896 8.806 407 H LYS 16 HN LYS 16 176.323 6.416 10.701 408 HA LYS 16 HA LYS 16 178.758 6.690 9.130 409 HB2 LYS 16 HB2 LYS 16 178.268 5.697 11.941 410 HB3 LYS 16 HB1 LYS 16 179.854 5.756 11.185 411 HG2 LYS 16 HG2 LYS 16 179.621 8.190 10.930 412 HG3 LYS 16 HG1 LYS 16 178.059 8.108 11.749 413 HD2 LYS 16 HD2 LYS 16 179.126 7.262 13.757 414 HD3 LYS 16 HD1 LYS 16 180.691 7.235 12.942 415 HE2 LYS 16 HE2 LYS 16 180.590 9.664 12.674 416 HE3 LYS 16 HE1 LYS 16 179.024 9.691 13.483 417 HZ1 LYS 16 HZ1 LYS 16 181.585 8.805 14.700 418 HZ2 LYS 16 HZ2 LYS 16 180.083 8.828 15.478 419 HZ3 LYS 16 HZ3 LYS 16 180.807 10.279 14.997 420 H CYS 17 HN CYS 17 179.565 5.125 7.908 421 HA CYS 17 HA CYS 17 178.377 2.458 8.070 422 HB2 CYS 17 HB2 CYS 17 178.419 3.549 5.872 423 HB3 CYS 17 HB1 CYS 17 180.171 3.685 5.964 424 HG CYS 17 HG CYS 17 180.179 0.688 6.280 425 H THR 18 HN THR 18 179.388 0.901 9.135 426 HA THR 18 HA THR 18 182.244 1.185 9.720 427 HB THR 18 HB THR 18 180.250 -0.765 10.894 428 HG1 THR 18 HG1 THR 18 179.809 1.415 11.479 429 HG21 THR 18 HG21 THR 18 181.965 -1.105 12.621 430 HG22 THR 18 HG22 THR 18 183.057 -0.035 11.743 431 HG23 THR 18 HG23 THR 18 182.555 -1.565 11.024 432 H ALA 19 HN ALA 19 183.700 -0.571 9.430 433 HA ALA 19 HA ALA 19 182.808 -2.772 7.727 434 HB1 ALA 19 HB1 ALA 19 184.571 -2.414 6.097 435 HB2 ALA 19 HB2 ALA 19 185.106 -0.975 6.964 436 HB3 ALA 19 HB3 ALA 19 183.524 -0.998 6.186 437 H TYR 20 HN TYR 20 184.022 -4.631 7.912 438 HA TYR 20 HA TYR 20 186.080 -4.582 10.015 439 HB2 TYR 20 HB2 TYR 20 184.308 -6.859 9.105 440 HB3 TYR 20 HB1 TYR 20 185.540 -6.973 10.357 441 HD1 TYR 20 HD1 TYR 20 182.269 -5.511 9.492 442 HD2 TYR 20 HD2 TYR 20 185.134 -6.157 12.569 443 HE1 TYR 20 HE1 TYR 20 180.615 -4.811 11.171 444 HE2 TYR 20 HE2 TYR 20 183.487 -5.460 14.257 445 HH TYR 20 HH TYR 20 180.183 -5.119 13.573 446 H LEU 21 HN LEU 21 188.096 -4.805 9.335 447 HA LEU 21 HA LEU 21 188.638 -5.884 6.691 448 HB2 LEU 21 HB2 LEU 21 190.507 -4.697 8.744 449 HB3 LEU 21 HB1 LEU 21 190.944 -5.136 7.104 450 HG LEU 21 HG LEU 21 189.013 -2.961 7.911 451 HD11 LEU 21 HD11 LEU 21 191.352 -2.393 8.301 452 HD12 LEU 21 HD12 LEU 21 190.689 -1.462 6.959 453 HD13 LEU 21 HD13 LEU 21 191.745 -2.838 6.642 454 HD21 LEU 21 HD21 LEU 21 188.303 -4.054 5.848 455 HD22 LEU 21 HD22 LEU 21 189.915 -3.833 5.168 456 HD23 LEU 21 HD23 LEU 21 188.911 -2.430 5.530 457 H ASP 22 HN ASP 22 190.130 -7.577 6.295 458 HA ASP 22 HA ASP 22 190.148 -9.593 8.412 459 HB2 ASP 22 HB2 ASP 22 189.281 -10.211 6.174 460 HB3 ASP 22 HB1 ASP 22 190.861 -9.860 5.482 461 H TYR 23 HN TYR 23 192.022 -7.176 8.064 462 HA TYR 23 HA TYR 23 194.604 -8.284 7.549 463 HB2 TYR 23 HB2 TYR 23 194.138 -5.909 7.173 464 HB3 TYR 23 HB1 TYR 23 193.807 -5.691 8.889 465 HD1 TYR 23 HD1 TYR 23 195.604 -5.557 10.494 466 HD2 TYR 23 HD2 TYR 23 196.427 -6.238 6.376 467 HE1 TYR 23 HE1 TYR 23 197.975 -5.044 10.890 468 HE2 TYR 23 HE2 TYR 23 198.801 -5.727 6.760 469 HH TYR 23 HH TYR 23 200.158 -5.516 9.862 470 H GLY 24 HN GLY 24 195.920 -9.334 8.896 471 HA2 GLY 24 HA2 GLY 24 196.892 -10.065 10.856 472 HA3 GLY 24 HA1 GLY 24 195.981 -8.830 11.714 473 H ASP 25 HN ASP 25 194.314 -9.448 12.946 474 HA ASP 25 HA ASP 25 193.508 -12.272 12.800 475 HB2 ASP 25 HB2 ASP 25 194.475 -11.554 14.946 476 HB3 ASP 25 HB1 ASP 25 193.242 -10.307 15.088 477 H GLY 26 HN GLY 26 192.212 -8.990 13.184 478 HA2 GLY 26 HA2 GLY 26 190.203 -8.746 11.588 479 HA3 GLY 26 HA1 GLY 26 189.528 -10.034 12.574 480 H LYS 27 HN LYS 27 191.422 -7.187 13.530 481 HA LYS 27 HA LYS 27 189.177 -6.408 15.268 482 HB2 LYS 27 HB2 LYS 27 192.128 -5.822 15.567 483 HB3 LYS 27 HB1 LYS 27 190.869 -5.259 16.657 484 HG2 LYS 27 HG2 LYS 27 190.331 -7.569 17.235 485 HG3 LYS 27 HG1 LYS 27 191.588 -8.137 16.136 486 HD2 LYS 27 HD2 LYS 27 193.278 -6.968 17.464 487 HD3 LYS 27 HD1 LYS 27 192.020 -6.390 18.560 488 HE2 LYS 27 HE2 LYS 27 193.174 -8.325 19.494 489 HE3 LYS 27 HE1 LYS 27 191.482 -8.696 19.162 490 HZ1 LYS 27 HZ1 LYS 27 192.925 -10.490 18.454 491 HZ2 LYS 27 HZ2 LYS 27 193.789 -9.442 17.447 492 HZ3 LYS 27 HZ3 LYS 27 192.168 -9.788 17.113 493 H TRP 28 HN TRP 28 191.477 -5.299 12.875 494 HA TRP 28 HA TRP 28 191.027 -2.540 13.059 495 HB2 TRP 28 HB2 TRP 28 191.748 -4.190 10.628 496 HB3 TRP 28 HB1 TRP 28 191.891 -2.439 10.746 497 HD1 TRP 28 HD1 TRP 28 193.525 -5.667 11.999 498 HE1 TRP 28 HE1 TRP 28 195.853 -5.095 12.938 499 HE3 TRP 28 HE3 TRP 28 193.258 -0.565 11.789 500 HZ2 TRP 28 HZ2 TRP 28 197.374 -2.789 13.513 501 HZ3 TRP 28 HZ3 TRP 28 195.192 0.750 12.553 502 HH2 TRP 28 HH2 TRP 28 197.207 -0.340 13.397 503 H VAL 29 HN VAL 29 189.559 -1.168 12.137 504 HA VAL 29 HA VAL 29 187.528 -2.227 10.339 505 HB VAL 29 HB VAL 29 185.666 -1.352 11.689 506 HG11 VAL 29 HG11 VAL 29 185.650 -3.120 13.387 507 HG12 VAL 29 HG12 VAL 29 187.376 -3.375 13.131 508 HG13 VAL 29 HG13 VAL 29 186.233 -3.715 11.832 509 HG21 VAL 29 HG21 VAL 29 187.767 -0.930 13.814 510 HG22 VAL 29 HG22 VAL 29 186.025 -0.772 14.045 511 HG23 VAL 29 HG23 VAL 29 186.876 0.333 12.964 512 H ALA 30 HN ALA 30 186.777 -0.737 8.927 513 HA ALA 30 HA ALA 30 187.907 1.956 9.125 514 HB1 ALA 30 HB1 ALA 30 186.606 0.567 6.783 515 HB2 ALA 30 HB2 ALA 30 188.340 0.718 7.065 516 HB3 ALA 30 HB3 ALA 30 187.370 2.156 6.748 517 H GLN 31 HN GLN 31 186.563 3.802 8.486 518 HA GLN 31 HA GLN 31 183.689 3.470 8.700 519 HB2 GLN 31 HB2 GLN 31 185.238 5.139 10.688 520 HB3 GLN 31 HB1 GLN 31 183.488 5.110 10.538 521 HG2 GLN 31 HG2 GLN 31 183.498 2.720 11.112 522 HG3 GLN 31 HG1 GLN 31 185.247 2.798 11.320 523 HE21 GLN 31 HE21 GLN 31 183.162 2.113 13.241 524 HE22 GLN 31 HE22 GLN 31 183.341 3.219 14.557 525 H TRP 32 HN TRP 32 182.524 5.153 7.810 526 HA TRP 32 HA TRP 32 183.752 7.648 7.107 527 HB2 TRP 32 HB2 TRP 32 183.504 7.388 4.662 528 HB3 TRP 32 HB1 TRP 32 184.691 6.272 5.329 529 HD1 TRP 32 HD1 TRP 32 181.233 6.347 3.703 530 HE1 TRP 32 HE1 TRP 32 180.615 3.959 2.969 531 HE3 TRP 32 HE3 TRP 32 185.105 3.804 5.866 532 HZ2 TRP 32 HZ2 TRP 32 181.633 1.345 3.266 533 HZ3 TRP 32 HZ3 TRP 32 185.209 1.361 5.593 534 HH2 TRP 32 HH2 TRP 32 183.508 0.158 4.320 535 H ASP 33 HN ASP 33 182.229 9.168 7.116 536 HA ASP 33 HA ASP 33 179.543 8.615 7.658 537 HB2 ASP 33 HB2 ASP 33 180.767 11.146 6.538 538 HB3 ASP 33 HB1 ASP 33 179.156 11.021 7.239 539 H THR 34 HN THR 34 177.652 8.889 6.409 540 HA THR 34 HA THR 34 177.905 9.152 3.528 541 HB THR 34 HB THR 34 176.708 7.074 3.033 542 HG1 THR 34 HG1 THR 34 175.825 5.955 4.595 543 HG21 THR 34 HG21 THR 34 178.513 5.494 3.510 544 HG22 THR 34 HG22 THR 34 179.181 6.608 4.703 545 HG23 THR 34 HG23 THR 34 179.158 7.053 2.997 546 H ALA 35 HN ALA 35 175.521 8.621 2.601 547 HA ALA 35 HA ALA 35 173.645 10.117 4.315 548 HB1 ALA 35 HB1 ALA 35 172.664 11.050 2.282 549 HB2 ALA 35 HB2 ALA 35 173.841 10.172 1.305 550 HB3 ALA 35 HB3 ALA 35 174.378 11.444 2.402 551 H VAL 36 HN VAL 36 171.940 8.983 4.940 552 HA VAL 36 HA VAL 36 170.988 6.793 3.211 553 HB VAL 36 HB VAL 36 170.860 6.855 6.229 554 HG11 VAL 36 HG11 VAL 36 170.204 4.676 4.249 555 HG12 VAL 36 HG12 VAL 36 169.046 5.597 5.208 556 HG13 VAL 36 HG13 VAL 36 170.183 4.510 6.005 557 HG21 VAL 36 HG21 VAL 36 172.695 5.291 4.416 558 HG22 VAL 36 HG22 VAL 36 172.572 5.101 6.165 559 HG23 VAL 36 HG23 VAL 36 173.164 6.616 5.482 560 H PHE 37 HN PHE 37 168.854 6.724 2.754 561 HA PHE 37 HA PHE 37 166.966 8.292 4.314 562 HB2 PHE 37 HB2 PHE 37 166.087 9.459 2.323 563 HB3 PHE 37 HB1 PHE 37 167.753 9.912 2.672 564 HD1 PHE 37 HD1 PHE 37 169.564 9.213 1.214 565 HD2 PHE 37 HD2 PHE 37 165.520 8.209 0.349 566 HE1 PHE 37 HE1 PHE 37 170.205 8.626 -1.088 567 HE2 PHE 37 HE2 PHE 37 166.154 7.620 -1.954 568 HZ PHE 37 HZ PHE 37 168.500 7.828 -2.676 569 H HIS 38 HN HIS 38 164.765 7.746 3.914 570 HA HIS 38 HA HIS 38 164.464 5.024 2.920 571 HB2 HIS 38 HB2 HIS 38 163.528 5.591 5.122 572 HB3 HIS 38 HB1 HIS 38 162.505 6.814 4.376 573 HD1 HIS 38 HD1 HIS 38 160.307 6.051 3.415 574 HD2 HIS 38 HD2 HIS 38 162.795 2.887 4.450 575 HE1 HIS 38 HE1 HIS 38 158.893 3.983 3.196 576 HE2 HIS 38 HE2 HIS 38 160.418 2.079 3.826 577 H THR 39 HN THR 39 163.406 4.471 1.107 578 HA THR 39 HA THR 39 162.501 6.620 -0.639 579 HB THR 39 HB THR 39 162.388 4.892 -2.389 580 HG1 THR 39 HG1 THR 39 163.438 3.094 -0.448 581 HG21 THR 39 HG21 THR 39 164.968 4.854 -0.819 582 HG22 THR 39 HG22 THR 39 164.502 6.058 -2.020 583 HG23 THR 39 HG23 THR 39 164.789 4.389 -2.509 584 H THR 40 HN THR 40 160.470 6.512 -1.764 585 HA THR 40 HA THR 40 158.420 4.806 -0.556 586 HB THR 40 HB THR 40 156.864 6.699 -0.321 587 HG1 THR 40 HG1 THR 40 157.863 8.845 -0.397 588 HG21 THR 40 HG21 THR 40 157.884 7.723 1.658 589 HG22 THR 40 HG22 THR 40 159.458 7.092 1.176 590 HG23 THR 40 HG23 THR 40 158.163 5.982 1.625 591 H1 ALA 1 HT1 ALA 1 172.389 2.262 -16.376 592 H2 ALA 1 HT2 ALA 1 171.857 2.561 -14.803 593 H3 ALA 1 HT3 ALA 1 172.645 1.108 -15.164 594 HA ALA 1 HA ALA 1 174.549 2.680 -15.924 595 HB1 ALA 1 HB1 ALA 1 174.705 4.711 -14.666 596 HB2 ALA 1 HB2 ALA 1 173.213 4.345 -13.801 597 HB3 ALA 1 HB3 ALA 1 173.166 4.700 -15.527 598 HA PRO 2 HA PRO 2 175.171 1.732 -11.094 599 HB2 PRO 2 HB2 PRO 2 172.938 -0.234 -10.927 600 HB3 PRO 2 HB1 PRO 2 173.545 0.888 -9.701 601 HG2 PRO 2 HG2 PRO 2 171.263 1.386 -10.959 602 HG3 PRO 2 HG1 PRO 2 172.398 2.693 -10.564 603 HD2 PRO 2 HD2 PRO 2 171.858 1.395 -13.190 604 HD3 PRO 2 HD1 PRO 2 172.255 3.083 -12.822 605 H VAL 3 HN VAL 3 176.692 0.212 -10.728 606 HA VAL 3 HA VAL 3 176.532 -2.312 -12.229 607 HB VAL 3 HB VAL 3 178.968 -2.221 -12.618 608 HG11 VAL 3 HG11 VAL 3 177.439 -1.515 -14.374 609 HG12 VAL 3 HG12 VAL 3 178.914 -0.550 -14.412 610 HG13 VAL 3 HG13 VAL 3 177.435 0.127 -13.732 611 HG21 VAL 3 HG21 VAL 3 180.102 -0.009 -12.379 612 HG22 VAL 3 HG22 VAL 3 179.685 -0.777 -10.848 613 HG23 VAL 3 HG23 VAL 3 178.703 0.552 -11.463 614 HA PRO 4 HA PRO 4 177.063 -3.972 -8.101 615 HB2 PRO 4 HB2 PRO 4 177.836 -6.409 -9.610 616 HB3 PRO 4 HB1 PRO 4 176.590 -6.198 -8.371 617 HG2 PRO 4 HG2 PRO 4 175.920 -6.487 -10.926 618 HG3 PRO 4 HG1 PRO 4 175.033 -5.380 -9.859 619 HD2 PRO 4 HD2 PRO 4 177.060 -4.756 -11.958 620 HD3 PRO 4 HD1 PRO 4 175.583 -3.876 -11.512 621 H VAL 5 HN VAL 5 178.767 -4.611 -6.764 622 HA VAL 5 HA VAL 5 181.426 -4.139 -7.893 623 HB VAL 5 HB VAL 5 180.604 -4.340 -4.992 624 HG11 VAL 5 HG11 VAL 5 182.782 -3.295 -4.548 625 HG12 VAL 5 HG12 VAL 5 183.164 -3.381 -6.268 626 HG13 VAL 5 HG13 VAL 5 182.951 -4.864 -5.336 627 HG21 VAL 5 HG21 VAL 5 180.801 -1.897 -4.960 628 HG22 VAL 5 HG22 VAL 5 179.539 -2.435 -6.069 629 HG23 VAL 5 HG23 VAL 5 181.097 -1.903 -6.699 630 H THR 6 HN THR 6 182.979 -5.663 -7.994 631 HA THR 6 HA THR 6 182.233 -8.387 -7.226 632 HB THR 6 HB THR 6 184.117 -9.110 -8.636 633 HG1 THR 6 HG1 THR 6 184.419 -6.331 -9.209 634 HG21 THR 6 HG21 THR 6 181.915 -8.835 -9.660 635 HG22 THR 6 HG22 THR 6 183.193 -8.419 -10.802 636 HG23 THR 6 HG23 THR 6 182.276 -7.143 -10.002 637 H LYS 7 HN LYS 7 185.245 -6.474 -7.220 638 HA LYS 7 HA LYS 7 185.983 -7.815 -4.704 639 HB2 LYS 7 HB2 LYS 7 187.513 -8.297 -6.553 640 HB3 LYS 7 HB1 LYS 7 187.759 -6.576 -6.815 641 HG2 LYS 7 HG2 LYS 7 188.775 -6.385 -4.600 642 HG3 LYS 7 HG1 LYS 7 188.537 -8.115 -4.346 643 HD2 LYS 7 HD2 LYS 7 190.216 -6.864 -6.520 644 HD3 LYS 7 HD1 LYS 7 190.830 -7.615 -5.046 645 HE2 LYS 7 HE2 LYS 7 189.254 -8.988 -7.221 646 HE3 LYS 7 HE1 LYS 7 190.987 -9.143 -6.940 647 HZ1 LYS 7 HZ1 LYS 7 188.850 -9.961 -5.046 648 HZ2 LYS 7 HZ2 LYS 7 190.513 -10.115 -4.780 649 HZ3 LYS 7 HZ3 LYS 7 189.769 -11.007 -6.010 650 H LEU 8 HN LEU 8 186.567 -6.612 -2.945 651 HA LEU 8 HA LEU 8 186.753 -3.706 -3.239 652 HB2 LEU 8 HB2 LEU 8 184.384 -4.558 -2.618 653 HB3 LEU 8 HB1 LEU 8 185.082 -4.880 -1.043 654 HG LEU 8 HG LEU 8 183.957 -2.753 -0.993 655 HD11 LEU 8 HD11 LEU 8 186.927 -2.268 -1.093 656 HD12 LEU 8 HD12 LEU 8 186.072 -2.996 0.266 657 HD13 LEU 8 HD13 LEU 8 185.725 -1.333 -0.206 658 HD21 LEU 8 HD21 LEU 8 185.742 -1.977 -3.294 659 HD22 LEU 8 HD22 LEU 8 184.647 -0.896 -2.433 660 HD23 LEU 8 HD23 LEU 8 184.001 -2.244 -3.368 661 H VAL 9 HN VAL 9 188.752 -3.338 -2.508 662 HA VAL 9 HA VAL 9 189.571 -4.627 0.014 663 HB VAL 9 HB VAL 9 191.913 -4.215 -0.701 664 HG11 VAL 9 HG11 VAL 9 190.244 -5.867 -2.593 665 HG12 VAL 9 HG12 VAL 9 190.915 -6.397 -1.051 666 HG13 VAL 9 HG13 VAL 9 191.990 -6.001 -2.392 667 HG21 VAL 9 HG21 VAL 9 192.361 -3.667 -3.052 668 HG22 VAL 9 HG22 VAL 9 191.525 -2.356 -2.219 669 HG23 VAL 9 HG23 VAL 9 190.635 -3.414 -3.315 670 H CYS 10 HN CYS 10 191.363 -3.252 1.129 671 HA CYS 10 HA CYS 10 190.750 -0.391 0.953 672 HB2 CYS 10 HB2 CYS 10 190.707 -1.999 3.516 673 HB3 CYS 10 HB1 CYS 10 190.582 -0.246 3.416 674 HG CYS 10 HG CYS 10 188.020 -0.357 3.482 675 H ASP 11 HN ASP 11 192.417 0.975 1.537 676 HA ASP 11 HA ASP 11 195.009 -0.345 2.002 677 HB2 ASP 11 HB2 ASP 11 194.853 0.847 -0.145 678 HB3 ASP 11 HB1 ASP 11 194.435 2.330 0.707 679 H GLY 12 HN GLY 12 195.791 -0.118 3.984 680 HA2 GLY 12 HA2 GLY 12 194.746 1.910 5.764 681 HA3 GLY 12 HA1 GLY 12 195.893 0.645 6.179 682 H ASP 13 HN ASP 13 197.514 1.548 3.740 683 HA ASP 13 HA ASP 13 199.401 3.087 5.092 684 HB2 ASP 13 HB2 ASP 13 198.950 2.873 2.107 685 HB3 ASP 13 HB1 ASP 13 200.414 3.479 2.877 686 H THR 14 HN THR 14 196.638 4.048 3.162 687 HA THR 14 HA THR 14 197.075 6.819 4.024 688 HB THR 14 HB THR 14 196.387 7.676 1.828 689 HG1 THR 14 HG1 THR 14 196.535 4.939 1.030 690 HG21 THR 14 HG21 THR 14 198.745 5.793 1.692 691 HG22 THR 14 HG22 THR 14 198.772 7.448 2.301 692 HG23 THR 14 HG23 THR 14 198.443 7.140 0.596 693 H TYR 15 HN TYR 15 195.172 4.371 4.479 694 HA TYR 15 HA TYR 15 192.992 4.053 5.035 695 HB2 TYR 15 HB2 TYR 15 192.862 7.074 5.083 696 HB3 TYR 15 HB1 TYR 15 191.752 5.964 5.882 697 HD1 TYR 15 HD1 TYR 15 192.801 4.366 7.645 698 HD2 TYR 15 HD2 TYR 15 194.683 7.917 6.252 699 HE1 TYR 15 HE1 TYR 15 194.208 4.406 9.662 700 HE2 TYR 15 HE2 TYR 15 196.096 7.966 8.263 701 HH TYR 15 HH TYR 15 196.053 7.104 10.565 702 H LYS 16 HN LYS 16 193.825 4.594 2.156 703 HA LYS 16 HA LYS 16 191.364 5.645 1.014 704 HB2 LYS 16 HB2 LYS 16 193.932 4.686 -0.256 705 HB3 LYS 16 HB1 LYS 16 192.547 5.273 -1.167 706 HG2 LYS 16 HG2 LYS 16 192.744 7.443 -0.032 707 HG3 LYS 16 HG1 LYS 16 194.169 6.848 0.823 708 HD2 LYS 16 HD2 LYS 16 195.337 6.544 -1.282 709 HD3 LYS 16 HD1 LYS 16 193.900 7.040 -2.177 710 HE2 LYS 16 HE2 LYS 16 194.025 9.255 -1.145 711 HE3 LYS 16 HE1 LYS 16 195.457 8.757 -0.246 712 HZ1 LYS 16 HZ1 LYS 16 195.240 8.914 -3.205 713 HZ2 LYS 16 HZ2 LYS 16 196.615 8.434 -2.344 714 HZ3 LYS 16 HZ3 LYS 16 196.048 10.022 -2.213 715 H CYS 17 HN CYS 17 189.718 4.415 0.404 716 HA CYS 17 HA CYS 17 190.060 1.510 0.388 717 HB2 CYS 17 HB2 CYS 17 188.248 2.432 1.765 718 HB3 CYS 17 HB1 CYS 17 187.545 3.192 0.343 719 HG CYS 17 HG CYS 17 187.432 0.419 -0.829 720 H THR 18 HN THR 18 190.333 0.477 -1.466 721 HA THR 18 HA THR 18 189.575 1.798 -3.967 722 HB THR 18 HB THR 18 191.269 -0.676 -3.564 723 HG1 THR 18 HG1 THR 18 192.268 1.225 -2.743 724 HG21 THR 18 HG21 THR 18 191.959 -0.291 -5.891 725 HG22 THR 18 HG22 THR 18 190.824 1.056 -5.999 726 HG23 THR 18 HG23 THR 18 190.225 -0.587 -5.770 727 H ALA 19 HN ALA 19 188.425 0.670 -5.608 728 HA ALA 19 HA ALA 19 187.053 -1.787 -4.824 729 HB1 ALA 19 HB1 ALA 19 184.858 -0.902 -5.365 730 HB2 ALA 19 HB2 ALA 19 185.561 0.675 -5.723 731 HB3 ALA 19 HB3 ALA 19 185.599 0.045 -4.075 732 H TYR 20 HN TYR 20 186.419 -3.073 -6.530 733 HA TYR 20 HA TYR 20 187.331 -2.182 -9.183 734 HB2 TYR 20 HB2 TYR 20 187.050 -4.986 -8.084 735 HB3 TYR 20 HB1 TYR 20 187.571 -4.586 -9.717 736 HD1 TYR 20 HD1 TYR 20 188.498 -4.444 -6.150 737 HD2 TYR 20 HD2 TYR 20 189.808 -3.862 -10.157 738 HE1 TYR 20 HE1 TYR 20 190.823 -4.301 -5.363 739 HE2 TYR 20 HE2 TYR 20 192.137 -3.718 -9.381 740 HH TYR 20 HH TYR 20 193.093 -4.622 -6.255 741 H LEU 21 HN LEU 21 185.781 -1.700 -10.575 742 HA LEU 21 HA LEU 21 183.069 -2.645 -10.130 743 HB2 LEU 21 HB2 LEU 21 184.170 -0.762 -12.217 744 HB3 LEU 21 HB1 LEU 21 182.471 -1.098 -11.945 745 HG LEU 21 HG LEU 21 184.346 0.276 -10.020 746 HD11 LEU 21 HD11 LEU 21 183.692 1.665 -11.913 747 HD12 LEU 21 HD12 LEU 21 182.934 2.227 -10.423 748 HD13 LEU 21 HD13 LEU 21 181.993 1.308 -11.599 749 HD21 LEU 21 HD21 LEU 21 182.716 -1.102 -8.837 750 HD22 LEU 21 HD22 LEU 21 181.408 -0.350 -9.751 751 HD23 LEU 21 HD23 LEU 21 182.368 0.614 -8.629 752 H ASP 22 HN ASP 22 181.818 -3.706 -11.728 753 HA ASP 22 HA ASP 22 183.410 -5.471 -13.429 754 HB2 ASP 22 HB2 ASP 22 181.760 -6.471 -11.874 755 HB3 ASP 22 HB1 ASP 22 180.473 -5.611 -12.712 756 H TYR 23 HN TYR 23 182.559 -2.563 -13.968 757 HA TYR 23 HA TYR 23 180.778 -2.693 -16.199 758 HB2 TYR 23 HB2 TYR 23 180.968 -0.667 -14.837 759 HB3 TYR 23 HB1 TYR 23 182.657 -0.495 -15.306 760 HD1 TYR 23 HD1 TYR 23 183.262 0.355 -17.481 761 HD2 TYR 23 HD2 TYR 23 179.175 -0.191 -16.432 762 HE1 TYR 23 HE1 TYR 23 182.590 1.707 -19.422 763 HE2 TYR 23 HE2 TYR 23 178.492 1.158 -18.370 764 HH TYR 23 HH TYR 23 180.624 1.999 -20.871 765 H GLY 24 HN GLY 24 181.224 -3.130 -18.263 766 HA2 GLY 24 HA2 GLY 24 182.409 -3.363 -20.230 767 HA3 GLY 24 HA1 GLY 24 183.739 -2.497 -19.476 768 H ASP 25 HN ASP 25 185.507 -3.610 -18.914 769 HA ASP 25 HA ASP 25 185.384 -6.537 -19.147 770 HB2 ASP 25 HB2 ASP 25 186.920 -5.413 -20.706 771 HB3 ASP 25 HB1 ASP 25 187.771 -4.686 -19.346 772 H GLY 26 HN GLY 26 186.739 -3.925 -17.161 773 HA2 GLY 26 HA2 GLY 26 186.287 -4.501 -14.690 774 HA3 GLY 26 HA1 GLY 26 187.298 -5.894 -15.045 775 H LYS 27 HN LYS 27 187.638 -2.512 -16.071 776 HA LYS 27 HA LYS 27 190.296 -2.504 -14.805 777 HB2 LYS 27 HB2 LYS 27 189.281 -0.883 -17.148 778 HB3 LYS 27 HB1 LYS 27 190.890 -0.756 -16.450 779 HG2 LYS 27 HG2 LYS 27 191.347 -3.073 -17.069 780 HG3 LYS 27 HG1 LYS 27 189.731 -3.206 -17.763 781 HD2 LYS 27 HD2 LYS 27 190.276 -1.443 -19.369 782 HD3 LYS 27 HD1 LYS 27 191.890 -1.301 -18.669 783 HE2 LYS 27 HE2 LYS 27 191.934 -2.641 -20.704 784 HE3 LYS 27 HE1 LYS 27 192.369 -3.612 -19.299 785 HZ1 LYS 27 HZ1 LYS 27 190.852 -4.801 -20.745 786 HZ2 LYS 27 HZ2 LYS 27 189.707 -3.565 -20.616 787 HZ3 LYS 27 HZ3 LYS 27 190.112 -4.487 -19.257 788 H TRP 28 HN TRP 28 187.280 -0.767 -15.166 789 HA TRP 28 HA TRP 28 188.005 1.652 -13.951 790 HB2 TRP 28 HB2 TRP 28 185.323 0.251 -13.946 791 HB3 TRP 28 HB1 TRP 28 185.588 1.940 -13.523 792 HD1 TRP 28 HD1 TRP 28 185.524 -0.417 -16.542 793 HE1 TRP 28 HE1 TRP 28 185.356 1.000 -18.684 794 HE3 TRP 28 HE3 TRP 28 186.120 4.230 -14.493 795 HZ2 TRP 28 HZ2 TRP 28 185.463 3.725 -19.410 796 HZ3 TRP 28 HZ3 TRP 28 186.076 6.190 -15.981 797 HH2 TRP 28 HH2 TRP 28 185.753 5.941 -18.389 798 H VAL 29 HN VAL 29 188.042 2.357 -11.857 799 HA VAL 29 HA VAL 29 187.257 0.549 -9.714 800 HB VAL 29 HB VAL 29 189.409 0.763 -8.542 801 HG11 VAL 29 HG11 VAL 29 190.682 -0.804 -9.933 802 HG12 VAL 29 HG12 VAL 29 189.633 -0.434 -11.302 803 HG13 VAL 29 HG13 VAL 29 188.970 -1.228 -9.872 804 HG21 VAL 29 HG21 VAL 29 190.371 2.019 -11.113 805 HG22 VAL 29 HG22 VAL 29 191.392 1.552 -9.753 806 HG23 VAL 29 HG23 VAL 29 190.195 2.832 -9.558 807 H ALA 30 HN ALA 30 186.552 1.596 -7.927 808 HA ALA 30 HA ALA 30 186.555 4.522 -8.027 809 HB1 ALA 30 HB1 ALA 30 184.913 2.641 -6.332 810 HB2 ALA 30 HB2 ALA 30 184.386 3.419 -7.824 811 HB3 ALA 30 HB3 ALA 30 184.737 4.395 -6.398 812 H GLN 31 HN GLN 31 186.847 5.726 -6.007 813 HA GLN 31 HA GLN 31 188.311 4.396 -3.883 814 HB2 GLN 31 HB2 GLN 31 189.563 6.608 -5.519 815 HB3 GLN 31 HB1 GLN 31 190.230 5.944 -4.034 816 HG2 GLN 31 HG2 GLN 31 190.422 3.750 -5.125 817 HG3 GLN 31 HG1 GLN 31 189.813 4.461 -6.619 818 HE21 GLN 31 HE21 GLN 31 192.370 3.170 -6.066 819 HE22 GLN 31 HE22 GLN 31 193.588 4.331 -6.459 820 H TRP 32 HN TRP 32 188.279 5.501 -1.945 821 HA TRP 32 HA TRP 32 187.421 8.230 -1.764 822 HB2 TRP 32 HB2 TRP 32 185.350 7.775 -0.493 823 HB3 TRP 32 HB1 TRP 32 185.249 7.195 -2.153 824 HD1 TRP 32 HD1 TRP 32 185.414 5.941 1.455 825 HE1 TRP 32 HE1 TRP 32 184.743 3.457 1.495 826 HE3 TRP 32 HE3 TRP 32 185.213 5.071 -3.580 827 HZ2 TRP 32 HZ2 TRP 32 184.200 1.401 -0.361 828 HZ3 TRP 32 HZ3 TRP 32 184.609 2.819 -4.364 829 HH2 TRP 32 HH2 TRP 32 184.114 1.023 -2.786 830 H ASP 33 HN ASP 33 188.322 9.100 -0.013 831 HA ASP 33 HA ASP 33 189.957 7.647 1.724 832 HB2 ASP 33 HB2 ASP 33 188.739 10.388 2.119 833 HB3 ASP 33 HB1 ASP 33 190.077 9.729 3.054 834 H THR 34 HN THR 34 189.762 7.159 3.946 835 HA THR 34 HA THR 34 187.146 7.349 5.195 836 HB THR 34 HB THR 34 186.991 4.957 5.696 837 HG1 THR 34 HG1 THR 34 188.625 3.676 5.295 838 HG21 THR 34 HG21 THR 34 186.379 4.157 3.466 839 HG22 THR 34 HG22 THR 34 187.266 5.495 2.737 840 HG23 THR 34 HG23 THR 34 185.834 5.817 3.714 841 H ALA 35 HN ALA 35 187.355 5.951 7.390 842 HA ALA 35 HA ALA 35 189.915 6.757 8.611 843 HB1 ALA 35 HB1 ALA 35 188.697 7.172 10.688 844 HB2 ALA 35 HB2 ALA 35 187.187 6.726 9.896 845 HB3 ALA 35 HB3 ALA 35 188.068 8.160 9.371 846 H VAL 36 HN VAL 36 191.101 5.120 9.317 847 HA VAL 36 HA VAL 36 189.733 2.649 10.166 848 HB VAL 36 HB VAL 36 192.454 2.813 8.864 849 HG11 VAL 36 HG11 VAL 36 190.732 0.447 9.595 850 HG12 VAL 36 HG12 VAL 36 192.225 0.938 10.395 851 HG13 VAL 36 HG13 VAL 36 192.264 0.372 8.724 852 HG21 VAL 36 HG21 VAL 36 189.816 1.926 7.699 853 HG22 VAL 36 HG22 VAL 36 191.386 1.792 6.907 854 HG23 VAL 36 HG23 VAL 36 190.711 3.381 7.262 855 H PHE 37 HN PHE 37 190.300 1.795 12.094 856 HA PHE 37 HA PHE 37 192.740 2.656 13.421 857 HB2 PHE 37 HB2 PHE 37 191.542 3.328 15.475 858 HB3 PHE 37 HB1 PHE 37 191.145 4.366 14.110 859 HD1 PHE 37 HD1 PHE 37 188.942 4.291 13.091 860 HD2 PHE 37 HD2 PHE 37 189.905 1.859 16.447 861 HE1 PHE 37 HE1 PHE 37 186.548 3.858 13.460 862 HE2 PHE 37 HE2 PHE 37 187.513 1.420 16.822 863 HZ PHE 37 HZ PHE 37 185.831 2.422 15.327 864 H HIS 38 HN HIS 38 193.326 1.336 15.214 865 HA HIS 38 HA HIS 38 192.239 -1.359 15.008 866 HB2 HIS 38 HB2 HIS 38 194.678 -1.057 14.918 867 HB3 HIS 38 HB1 HIS 38 194.649 -0.321 16.517 868 HD1 HIS 38 HD1 HIS 38 194.713 -1.870 18.499 869 HD2 HIS 38 HD2 HIS 38 194.073 -3.873 14.915 870 HE1 HIS 38 HE1 HIS 38 194.900 -4.317 19.053 871 HE2 HIS 38 HE2 HIS 38 194.510 -5.511 16.869 872 H THR 39 HN THR 39 191.059 -2.346 16.538 873 HA THR 39 HA THR 39 190.215 -0.758 18.829 874 HB THR 39 HB THR 39 188.505 -2.496 19.164 875 HG1 THR 39 HG1 THR 39 189.499 -3.695 16.781 876 HG21 THR 39 HG21 THR 39 188.698 -1.525 16.310 877 HG22 THR 39 HG22 THR 39 188.011 -0.631 17.666 878 HG23 THR 39 HG23 THR 39 187.233 -2.109 17.099 879 H THR 40 HN THR 40 190.143 -1.644 20.976 880 HA THR 40 HA THR 40 191.924 -3.910 21.492 881 HB THR 40 HB THR 40 193.088 -2.694 23.288 882 HG1 THR 40 HG1 THR 40 192.841 -0.339 23.239 883 HG21 THR 40 HG21 THR 40 194.494 -1.272 21.869 884 HG22 THR 40 HG22 THR 40 193.267 -1.319 20.603 885 HG23 THR 40 HG23 THR 40 194.111 -2.797 21.067 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 171.060 0.566 15.933 2 H2 ALA 1 HT2 ALA 1 170.567 0.211 14.355 3 H3 ALA 1 HT3 ALA 1 171.853 1.276 14.619 4 HA ALA 1 HA ALA 1 173.187 -0.488 15.546 5 HB1 ALA 1 HB1 ALA 1 170.847 -2.260 14.849 6 HB2 ALA 1 HB2 ALA 1 171.337 -1.795 16.478 7 HB3 ALA 1 HB3 ALA 1 172.403 -2.791 15.487 8 HA PRO 2 HA PRO 2 174.653 -0.909 11.408 9 HB2 PRO 2 HB2 PRO 2 176.438 -2.942 11.697 10 HB3 PRO 2 HB1 PRO 2 176.742 -1.301 12.287 11 HG2 PRO 2 HG2 PRO 2 175.823 -3.700 13.805 12 HG3 PRO 2 HG1 PRO 2 177.008 -2.462 14.266 13 HD2 PRO 2 HD2 PRO 2 174.475 -2.452 15.201 14 HD3 PRO 2 HD1 PRO 2 175.394 -0.961 14.915 15 H VAL 3 HN VAL 3 173.838 -1.857 9.647 16 HA VAL 3 HA VAL 3 172.755 -4.586 9.908 17 HB VAL 3 HB VAL 3 171.151 -4.007 8.129 18 HG11 VAL 3 HG11 VAL 3 170.484 -3.796 10.462 19 HG12 VAL 3 HG12 VAL 3 169.710 -2.556 9.477 20 HG13 VAL 3 HG13 VAL 3 171.086 -2.139 10.497 21 HG21 VAL 3 HG21 VAL 3 170.848 -1.662 7.475 22 HG22 VAL 3 HG22 VAL 3 172.436 -2.270 7.006 23 HG23 VAL 3 HG23 VAL 3 172.274 -1.220 8.414 24 HA PRO 4 HA PRO 4 175.549 -5.793 6.700 25 HB2 PRO 4 HB2 PRO 4 174.301 -8.003 5.773 26 HB3 PRO 4 HB1 PRO 4 175.089 -7.957 7.357 27 HG2 PRO 4 HG2 PRO 4 172.191 -7.694 6.697 28 HG3 PRO 4 HG1 PRO 4 172.968 -8.592 8.015 29 HD2 PRO 4 HD2 PRO 4 171.822 -6.153 8.364 30 HD3 PRO 4 HD1 PRO 4 173.189 -6.733 9.335 31 H VAL 5 HN VAL 5 175.851 -5.600 4.504 32 HA VAL 5 HA VAL 5 173.684 -4.332 3.031 33 HB VAL 5 HB VAL 5 176.551 -4.785 2.188 34 HG11 VAL 5 HG11 VAL 5 176.096 -3.051 0.519 35 HG12 VAL 5 HG12 VAL 5 174.416 -2.983 1.050 36 HG13 VAL 5 HG13 VAL 5 175.047 -4.451 0.302 37 HG21 VAL 5 HG21 VAL 5 175.247 -2.350 3.400 38 HG22 VAL 5 HG22 VAL 5 176.890 -2.424 2.766 39 HG23 VAL 5 HG23 VAL 5 176.444 -3.388 4.174 40 H THR 6 HN THR 6 172.445 -5.369 1.616 41 HA THR 6 HA THR 6 173.084 -8.114 0.896 42 HB THR 6 HB THR 6 170.822 -8.179 -0.076 43 HG1 THR 6 HG1 THR 6 169.494 -6.249 0.372 44 HG21 THR 6 HG21 THR 6 171.103 -8.695 2.297 45 HG22 THR 6 HG22 THR 6 169.558 -7.896 2.009 46 HG23 THR 6 HG23 THR 6 170.904 -6.990 2.700 47 H LYS 7 HN LYS 7 172.874 -4.949 -0.567 48 HA LYS 7 HA LYS 7 174.112 -6.012 -2.987 49 HB2 LYS 7 HB2 LYS 7 171.712 -5.963 -3.481 50 HB3 LYS 7 HB1 LYS 7 171.639 -4.271 -3.012 51 HG2 LYS 7 HG2 LYS 7 173.142 -3.697 -4.853 52 HG3 LYS 7 HG1 LYS 7 173.199 -5.394 -5.331 53 HD2 LYS 7 HD2 LYS 7 170.545 -4.062 -5.070 54 HD3 LYS 7 HD1 LYS 7 171.537 -3.709 -6.485 55 HE2 LYS 7 HE2 LYS 7 169.965 -5.545 -6.900 56 HE3 LYS 7 HE1 LYS 7 171.642 -6.069 -7.033 57 HZ1 LYS 7 HZ1 LYS 7 170.093 -7.581 -5.778 58 HZ2 LYS 7 HZ2 LYS 7 170.065 -6.417 -4.552 59 HZ3 LYS 7 HZ3 LYS 7 171.522 -7.164 -4.976 60 H LEU 8 HN LEU 8 175.581 -4.641 -3.898 61 HA LEU 8 HA LEU 8 175.668 -1.867 -2.961 62 HB2 LEU 8 HB2 LEU 8 177.174 -3.484 -1.618 63 HB3 LEU 8 HB1 LEU 8 178.174 -3.516 -3.056 64 HG LEU 8 HG LEU 8 179.071 -1.926 -1.475 65 HD11 LEU 8 HD11 LEU 8 179.229 0.013 -2.870 66 HD12 LEU 8 HD12 LEU 8 177.741 -0.415 -3.713 67 HD13 LEU 8 HD13 LEU 8 179.180 -1.415 -3.904 68 HD21 LEU 8 HD21 LEU 8 177.801 0.045 -0.781 69 HD22 LEU 8 HD22 LEU 8 177.033 -1.445 -0.235 70 HD23 LEU 8 HD23 LEU 8 176.381 -0.574 -1.622 71 H VAL 9 HN VAL 9 175.468 -0.756 -4.798 72 HA VAL 9 HA VAL 9 177.080 -1.596 -7.121 73 HB VAL 9 HB VAL 9 175.437 -0.370 -8.525 74 HG11 VAL 9 HG11 VAL 9 175.252 -2.772 -8.290 75 HG12 VAL 9 HG12 VAL 9 173.644 -2.051 -8.354 76 HG13 VAL 9 HG13 VAL 9 174.312 -2.581 -6.811 77 HG21 VAL 9 HG21 VAL 9 173.882 -0.170 -5.947 78 HG22 VAL 9 HG22 VAL 9 173.258 0.223 -7.549 79 HG23 VAL 9 HG23 VAL 9 174.576 1.172 -6.858 80 H CYS 10 HN CYS 10 177.471 0.351 -8.649 81 HA CYS 10 HA CYS 10 177.937 2.840 -7.200 82 HB2 CYS 10 HB2 CYS 10 179.999 1.552 -6.871 83 HB3 CYS 10 HB1 CYS 10 180.144 1.326 -8.610 84 HG CYS 10 HG CYS 10 180.286 4.222 -8.973 85 H ASP 11 HN ASP 11 177.849 4.637 -8.470 86 HA ASP 11 HA ASP 11 177.218 4.182 -11.304 87 HB2 ASP 11 HB2 ASP 11 176.565 6.544 -9.529 88 HB3 ASP 11 HB1 ASP 11 176.106 6.385 -11.221 89 H GLY 12 HN GLY 12 178.905 4.489 -12.602 90 HA2 GLY 12 HA2 GLY 12 181.173 6.055 -11.888 91 HA3 GLY 12 HA1 GLY 12 180.861 5.340 -13.462 92 H ASP 13 HN ASP 13 178.175 6.837 -13.388 93 HA ASP 13 HA ASP 13 178.883 8.967 -15.028 94 HB2 ASP 13 HB2 ASP 13 176.390 8.648 -13.343 95 HB3 ASP 13 HB1 ASP 13 176.574 9.779 -14.679 96 H THR 14 HN THR 14 177.458 9.369 -11.784 97 HA THR 14 HA THR 14 178.866 11.924 -11.550 98 HB THR 14 HB THR 14 177.390 12.338 -9.609 99 HG1 THR 14 HG1 THR 14 175.572 10.775 -9.453 100 HG21 THR 14 HG21 THR 14 175.300 12.572 -10.873 101 HG22 THR 14 HG22 THR 14 175.937 11.499 -12.121 102 HG23 THR 14 HG23 THR 14 176.692 13.067 -11.835 103 H TYR 15 HN TYR 15 179.820 8.968 -10.994 104 HA TYR 15 HA TYR 15 181.325 7.969 -9.616 105 HB2 TYR 15 HB2 TYR 15 181.788 10.772 -8.581 106 HB3 TYR 15 HB1 TYR 15 182.868 9.397 -8.376 107 HD1 TYR 15 HD1 TYR 15 181.970 12.157 -10.460 108 HD2 TYR 15 HD2 TYR 15 183.866 8.350 -10.485 109 HE1 TYR 15 HE1 TYR 15 183.099 12.741 -12.564 110 HE2 TYR 15 HE2 TYR 15 185.003 8.923 -12.589 111 HH TYR 15 HH TYR 15 184.694 10.451 -14.491 112 H LYS 16 HN LYS 16 178.505 8.447 -8.734 113 HA LYS 16 HA LYS 16 178.799 8.575 -5.831 114 HB2 LYS 16 HB2 LYS 16 176.361 8.644 -5.767 115 HB3 LYS 16 HB1 LYS 16 176.984 9.866 -6.866 116 HG2 LYS 16 HG2 LYS 16 176.435 8.471 -8.771 117 HG3 LYS 16 HG1 LYS 16 175.875 7.191 -7.693 118 HD2 LYS 16 HD2 LYS 16 174.119 8.652 -6.847 119 HD3 LYS 16 HD1 LYS 16 174.695 9.964 -7.877 120 HE2 LYS 16 HE2 LYS 16 174.200 8.617 -9.861 121 HE3 LYS 16 HE1 LYS 16 173.621 7.310 -8.828 122 HZ1 LYS 16 HZ1 LYS 16 171.793 8.629 -9.690 123 HZ2 LYS 16 HZ2 LYS 16 172.441 10.031 -8.998 124 HZ3 LYS 16 HZ3 LYS 16 171.886 8.778 -8.006 125 H CYS 17 HN CYS 17 178.555 6.868 -4.493 126 HA CYS 17 HA CYS 17 178.158 4.243 -5.756 127 HB2 CYS 17 HB2 CYS 17 180.323 4.539 -4.640 128 HB3 CYS 17 HB1 CYS 17 179.502 4.943 -3.136 129 HG CYS 17 HG CYS 17 178.222 2.323 -3.117 130 H THR 18 HN THR 18 176.201 3.410 -5.498 131 HA THR 18 HA THR 18 174.556 4.230 -3.230 132 HB THR 18 HB THR 18 173.797 2.527 -5.612 133 HG1 THR 18 HG1 THR 18 173.617 5.318 -5.113 134 HG21 THR 18 HG21 THR 18 172.106 3.911 -3.526 135 HG22 THR 18 HG22 THR 18 172.338 2.171 -3.690 136 HG23 THR 18 HG23 THR 18 171.490 3.070 -4.948 137 H ALA 19 HN ALA 19 173.467 2.699 -1.898 138 HA ALA 19 HA ALA 19 174.453 -0.050 -1.947 139 HB1 ALA 19 HB1 ALA 19 175.107 -0.026 0.380 140 HB2 ALA 19 HB2 ALA 19 174.647 1.670 0.522 141 HB3 ALA 19 HB3 ALA 19 176.007 1.207 -0.501 142 H TYR 20 HN TYR 20 173.134 -1.535 -0.826 143 HA TYR 20 HA TYR 20 170.464 -0.484 -0.155 144 HB2 TYR 20 HB2 TYR 20 171.261 -3.170 -1.291 145 HB3 TYR 20 HB1 TYR 20 169.633 -2.769 -0.756 146 HD1 TYR 20 HD1 TYR 20 168.174 -1.475 -2.122 147 HD2 TYR 20 HD2 TYR 20 172.240 -2.001 -3.256 148 HE1 TYR 20 HE1 TYR 20 167.666 -0.551 -4.343 149 HE2 TYR 20 HE2 TYR 20 171.744 -1.078 -5.481 150 HH TYR 20 HH TYR 20 168.856 0.547 -6.197 151 H LEU 21 HN LEU 21 169.968 -0.558 1.922 152 HA LEU 21 HA LEU 21 171.489 -2.241 3.733 153 HB2 LEU 21 HB2 LEU 21 169.302 -0.235 4.288 154 HB3 LEU 21 HB1 LEU 21 170.275 -1.039 5.504 155 HG LEU 21 HG LEU 21 171.274 0.920 3.436 156 HD11 LEU 21 HD11 LEU 21 170.004 1.970 5.228 157 HD12 LEU 21 HD12 LEU 21 171.720 2.349 5.370 158 HD13 LEU 21 HD13 LEU 21 170.993 1.142 6.430 159 HD21 LEU 21 HD21 LEU 21 172.947 -0.782 3.876 160 HD22 LEU 21 HD22 LEU 21 172.754 -0.552 5.613 161 HD23 LEU 21 HD23 LEU 21 173.419 0.746 4.621 162 H ASP 22 HN ASP 22 170.496 -3.657 5.270 163 HA ASP 22 HA ASP 22 168.154 -5.012 4.162 164 HB2 ASP 22 HB2 ASP 22 170.191 -6.342 4.639 165 HB3 ASP 22 HB1 ASP 22 170.055 -5.909 6.341 166 H TYR 23 HN TYR 23 168.202 -2.473 5.864 167 HA TYR 23 HA TYR 23 166.800 -3.312 8.263 168 HB2 TYR 23 HB2 TYR 23 168.387 -1.457 8.417 169 HB3 TYR 23 HB1 TYR 23 167.473 -0.554 7.214 170 HD1 TYR 23 HD1 TYR 23 167.473 -1.793 10.681 171 HD2 TYR 23 HD2 TYR 23 165.467 0.620 7.807 172 HE1 TYR 23 HE1 TYR 23 166.119 -0.794 12.474 173 HE2 TYR 23 HE2 TYR 23 164.109 1.626 9.592 174 HH TYR 23 HH TYR 23 163.353 1.076 11.865 175 H GLY 24 HN GLY 24 164.644 -3.115 8.637 176 HA2 GLY 24 HA2 GLY 24 162.410 -2.777 8.220 177 HA3 GLY 24 HA1 GLY 24 162.884 -1.529 7.078 178 H ASP 25 HN ASP 25 161.756 -1.938 5.282 179 HA ASP 25 HA ASP 25 161.479 -4.696 4.352 180 HB2 ASP 25 HB2 ASP 25 160.194 -2.143 3.358 181 HB3 ASP 25 HB1 ASP 25 159.848 -3.758 2.747 182 H GLY 26 HN GLY 26 163.979 -2.954 4.172 183 HA2 GLY 26 HA2 GLY 26 165.738 -2.871 2.689 184 HA3 GLY 26 HA1 GLY 26 164.783 -3.847 1.584 185 H LYS 27 HN LYS 27 163.562 -0.832 2.830 186 HA LYS 27 HA LYS 27 163.653 0.262 0.114 187 HB2 LYS 27 HB2 LYS 27 162.057 1.141 2.526 188 HB3 LYS 27 HB1 LYS 27 161.957 1.861 0.926 189 HG2 LYS 27 HG2 LYS 27 161.250 -0.980 1.629 190 HG3 LYS 27 HG1 LYS 27 160.110 0.333 1.331 191 HD2 LYS 27 HD2 LYS 27 160.943 0.540 -0.959 192 HD3 LYS 27 HD1 LYS 27 162.096 -0.763 -0.661 193 HE2 LYS 27 HE2 LYS 27 159.090 -0.997 -0.548 194 HE3 LYS 27 HE1 LYS 27 160.120 -1.565 -1.861 195 HZ1 LYS 27 HZ1 LYS 27 160.201 -2.542 0.943 196 HZ2 LYS 27 HZ2 LYS 27 161.185 -3.090 -0.319 197 HZ3 LYS 27 HZ3 LYS 27 159.516 -3.364 -0.369 198 H TRP 28 HN TRP 28 165.785 0.275 2.410 199 HA TRP 28 HA TRP 28 166.314 3.171 2.325 200 HB2 TRP 28 HB2 TRP 28 167.301 1.119 4.319 201 HB3 TRP 28 HB1 TRP 28 167.692 2.836 4.340 202 HD1 TRP 28 HD1 TRP 28 164.847 0.402 5.100 203 HE1 TRP 28 HE1 TRP 28 163.052 1.634 6.473 204 HE3 TRP 28 HE3 TRP 28 166.701 5.155 4.783 205 HZ2 TRP 28 HZ2 TRP 28 162.495 4.271 7.311 206 HZ3 TRP 28 HZ3 TRP 28 165.477 6.976 5.898 207 HH2 TRP 28 HH2 TRP 28 163.417 6.541 7.134 208 H VAL 29 HN VAL 29 168.160 3.889 1.410 209 HA VAL 29 HA VAL 29 170.271 1.956 0.783 210 HB VAL 29 HB VAL 29 170.494 2.857 -1.502 211 HG11 VAL 29 HG11 VAL 29 167.772 1.718 -0.876 212 HG12 VAL 29 HG12 VAL 29 169.252 0.796 -1.141 213 HG13 VAL 29 HG13 VAL 29 168.544 1.724 -2.463 214 HG21 VAL 29 HG21 VAL 29 169.478 5.041 -1.150 215 HG22 VAL 29 HG22 VAL 29 167.909 4.284 -0.883 216 HG23 VAL 29 HG23 VAL 29 168.675 4.188 -2.469 217 H ALA 30 HN ALA 30 172.316 2.759 0.848 218 HA ALA 30 HA ALA 30 172.602 5.500 1.824 219 HB1 ALA 30 HB1 ALA 30 173.644 3.715 3.129 220 HB2 ALA 30 HB2 ALA 30 174.854 4.826 2.489 221 HB3 ALA 30 HB3 ALA 30 174.614 3.252 1.731 222 H GLN 31 HN GLN 31 174.309 6.874 0.991 223 HA GLN 31 HA GLN 31 175.467 6.232 -1.574 224 HB2 GLN 31 HB2 GLN 31 173.302 8.306 -1.293 225 HB3 GLN 31 HB1 GLN 31 174.476 8.355 -2.601 226 HG2 GLN 31 HG2 GLN 31 173.753 6.088 -3.277 227 HG3 GLN 31 HG1 GLN 31 172.512 6.149 -2.026 228 HE21 GLN 31 HE21 GLN 31 170.741 7.491 -2.292 229 HE22 GLN 31 HE22 GLN 31 170.335 8.197 -3.816 230 H TRP 32 HN TRP 32 177.371 7.213 -1.820 231 HA TRP 32 HA TRP 32 177.914 9.757 -0.524 232 HB2 TRP 32 HB2 TRP 32 179.962 8.906 0.576 233 HB3 TRP 32 HB1 TRP 32 178.500 8.175 1.228 234 HD1 TRP 32 HD1 TRP 32 181.741 7.318 -0.499 235 HE1 TRP 32 HE1 TRP 32 181.935 4.763 -0.734 236 HE3 TRP 32 HE3 TRP 32 176.988 6.011 0.862 237 HZ2 TRP 32 HZ2 TRP 32 180.293 2.494 -0.391 238 HZ3 TRP 32 HZ3 TRP 32 176.381 3.626 0.881 239 HH2 TRP 32 HH2 TRP 32 178.001 1.905 0.266 240 H ASP 33 HN ASP 33 179.230 10.993 -1.723 241 HA ASP 33 HA ASP 33 179.953 10.270 -4.321 242 HB2 ASP 33 HB2 ASP 33 181.092 12.477 -2.592 243 HB3 ASP 33 HB1 ASP 33 181.275 12.356 -4.339 244 H THR 34 HN THR 34 181.878 9.678 -5.281 245 HA THR 34 HA THR 34 184.200 9.163 -3.589 246 HB THR 34 HB THR 34 184.469 6.869 -4.434 247 HG1 THR 34 HG1 THR 34 183.200 6.137 -5.963 248 HG21 THR 34 HG21 THR 34 181.811 7.341 -3.081 249 HG22 THR 34 HG22 THR 34 183.374 7.205 -2.276 250 HG23 THR 34 HG23 THR 34 182.690 5.813 -3.116 251 H ALA 35 HN ALA 35 185.932 8.019 -5.160 252 HA ALA 35 HA ALA 35 185.974 9.633 -7.627 253 HB1 ALA 35 HB1 ALA 35 188.408 9.727 -7.414 254 HB2 ALA 35 HB2 ALA 35 188.317 8.799 -5.917 255 HB3 ALA 35 HB3 ALA 35 187.615 10.415 -5.996 256 H VAL 36 HN VAL 36 186.149 8.562 -9.489 257 HA VAL 36 HA VAL 36 187.188 5.808 -9.442 258 HB VAL 36 HB VAL 36 184.812 6.696 -11.083 259 HG11 VAL 36 HG11 VAL 36 186.022 3.972 -10.620 260 HG12 VAL 36 HG12 VAL 36 186.104 4.911 -12.111 261 HG13 VAL 36 HG13 VAL 36 184.551 4.301 -11.536 262 HG21 VAL 36 HG21 VAL 36 183.466 5.303 -9.571 263 HG22 VAL 36 HG22 VAL 36 184.212 6.662 -8.731 264 HG23 VAL 36 HG23 VAL 36 184.888 5.042 -8.562 265 H PHE 37 HN PHE 37 188.567 5.295 -11.048 266 HA PHE 37 HA PHE 37 188.660 6.844 -13.492 267 HB2 PHE 37 HB2 PHE 37 191.007 7.481 -13.259 268 HB3 PHE 37 HB1 PHE 37 190.048 8.181 -11.960 269 HD1 PHE 37 HD1 PHE 37 192.608 5.718 -12.821 270 HD2 PHE 37 HD2 PHE 37 190.337 7.467 -9.674 271 HE1 PHE 37 HE1 PHE 37 194.143 4.733 -11.172 272 HE2 PHE 37 HE2 PHE 37 191.870 6.485 -8.019 273 HZ PHE 37 HZ PHE 37 193.775 5.116 -8.767 274 H HIS 38 HN HIS 38 190.043 5.895 -15.112 275 HA HIS 38 HA HIS 38 189.992 3.046 -15.032 276 HB2 HIS 38 HB2 HIS 38 189.627 4.305 -17.115 277 HB3 HIS 38 HB1 HIS 38 191.282 4.901 -17.046 278 HD1 HIS 38 HD1 HIS 38 193.108 3.387 -17.927 279 HD2 HIS 38 HD2 HIS 38 189.399 1.523 -17.737 280 HE1 HIS 38 HE1 HIS 38 193.387 1.207 -19.150 281 HE2 HIS 38 HE2 HIS 38 191.130 0.095 -19.023 282 H THR 39 HN THR 39 191.609 1.595 -14.740 283 HA THR 39 HA THR 39 194.247 2.681 -13.994 284 HB THR 39 HB THR 39 194.521 0.736 -12.509 285 HG1 THR 39 HG1 THR 39 191.871 0.157 -13.372 286 HG21 THR 39 HG21 THR 39 191.990 2.300 -11.989 287 HG22 THR 39 HG22 THR 39 193.627 2.814 -11.582 288 HG23 THR 39 HG23 THR 39 192.917 1.413 -10.780 289 H THR 40 HN THR 40 195.901 0.701 -14.013 290 HA THR 40 HA THR 40 195.513 -0.923 -16.415 291 HB THR 40 HB THR 40 197.740 -0.334 -17.286 292 HG1 THR 40 HG1 THR 40 198.827 1.459 -16.376 293 HG21 THR 40 HG21 THR 40 197.181 1.902 -18.127 294 HG22 THR 40 HG22 THR 40 195.930 2.051 -16.894 295 HG23 THR 40 HG23 THR 40 195.779 0.834 -18.161 296 H1 ALA 1 HT1 ALA 1 200.096 -2.408 1.986 297 H2 ALA 1 HT2 ALA 1 198.889 -3.012 3.006 298 H3 ALA 1 HT3 ALA 1 198.663 -1.537 2.210 299 HA ALA 1 HA ALA 1 198.650 -2.634 0.078 300 HB1 ALA 1 HB1 ALA 1 198.889 -5.175 1.683 301 HB2 ALA 1 HB2 ALA 1 200.156 -4.467 0.681 302 HB3 ALA 1 HB3 ALA 1 198.673 -5.063 -0.064 303 HA PRO 2 HA PRO 2 194.284 -2.735 0.690 304 HB2 PRO 2 HB2 PRO 2 193.470 -3.955 -1.601 305 HB3 PRO 2 HB1 PRO 2 194.052 -2.285 -1.553 306 HG2 PRO 2 HG2 PRO 2 195.513 -4.758 -2.361 307 HG3 PRO 2 HG1 PRO 2 195.529 -3.147 -3.105 308 HD2 PRO 2 HD2 PRO 2 197.513 -4.008 -1.490 309 HD3 PRO 2 HD1 PRO 2 197.025 -2.304 -1.579 310 H VAL 3 HN VAL 3 192.991 -4.019 1.848 311 HA VAL 3 HA VAL 3 193.379 -6.935 1.651 312 HB VAL 3 HB VAL 3 192.619 -7.088 3.990 313 HG11 VAL 3 HG11 VAL 3 195.004 -6.997 3.506 314 HG12 VAL 3 HG12 VAL 3 194.645 -6.187 5.030 315 HG13 VAL 3 HG13 VAL 3 194.964 -5.236 3.580 316 HG21 VAL 3 HG21 VAL 3 192.472 -5.060 5.362 317 HG22 VAL 3 HG22 VAL 3 191.257 -5.072 4.084 318 HG23 VAL 3 HG23 VAL 3 192.700 -4.072 3.919 319 HA PRO 4 HA PRO 4 189.124 -7.226 0.477 320 HB2 PRO 4 HB2 PRO 4 188.608 -9.791 1.153 321 HB3 PRO 4 HB1 PRO 4 189.647 -9.364 -0.216 322 HG2 PRO 4 HG2 PRO 4 190.426 -10.218 2.535 323 HG3 PRO 4 HG1 PRO 4 191.120 -10.690 0.973 324 HD2 PRO 4 HD2 PRO 4 192.253 -8.824 2.588 325 HD3 PRO 4 HD1 PRO 4 192.409 -8.805 0.820 326 H VAL 5 HN VAL 5 187.079 -7.067 1.333 327 HA VAL 5 HA VAL 5 186.931 -6.770 4.225 328 HB VAL 5 HB VAL 5 184.820 -6.193 2.139 329 HG11 VAL 5 HG11 VAL 5 183.773 -4.848 3.899 330 HG12 VAL 5 HG12 VAL 5 185.019 -5.367 5.035 331 HG13 VAL 5 HG13 VAL 5 183.890 -6.544 4.363 332 HG21 VAL 5 HG21 VAL 5 186.785 -4.336 3.476 333 HG22 VAL 5 HG22 VAL 5 185.465 -3.841 2.417 334 HG23 VAL 5 HG23 VAL 5 186.790 -4.816 1.780 335 H THR 6 HN THR 6 186.125 -8.270 5.532 336 HA THR 6 HA THR 6 184.859 -10.629 4.396 337 HB THR 6 HB THR 6 185.031 -11.574 6.665 338 HG1 THR 6 HG1 THR 6 186.273 -10.240 8.202 339 HG21 THR 6 HG21 THR 6 186.927 -11.809 5.138 340 HG22 THR 6 HG22 THR 6 187.480 -11.648 6.806 341 HG23 THR 6 HG23 THR 6 187.584 -10.273 5.706 342 H LYS 7 HN LYS 7 184.060 -7.854 6.360 343 HA LYS 7 HA LYS 7 181.230 -8.532 6.124 344 HB2 LYS 7 HB2 LYS 7 181.902 -9.393 8.320 345 HB3 LYS 7 HB1 LYS 7 182.555 -7.819 8.747 346 HG2 LYS 7 HG2 LYS 7 180.317 -6.847 8.597 347 HG3 LYS 7 HG1 LYS 7 179.662 -8.432 8.184 348 HD2 LYS 7 HD2 LYS 7 181.272 -8.148 10.676 349 HD3 LYS 7 HD1 LYS 7 179.615 -7.541 10.661 350 HE2 LYS 7 HE2 LYS 7 179.743 -9.847 11.490 351 HE3 LYS 7 HE1 LYS 7 178.793 -9.729 10.011 352 HZ1 LYS 7 HZ1 LYS 7 180.420 -11.625 10.148 353 HZ2 LYS 7 HZ2 LYS 7 181.656 -10.481 9.999 354 HZ3 LYS 7 HZ3 LYS 7 180.523 -10.668 8.757 355 H LEU 8 HN LEU 8 179.925 -6.777 5.843 356 HA LEU 8 HA LEU 8 181.053 -4.111 6.298 357 HB2 LEU 8 HB2 LEU 8 181.345 -4.984 3.881 358 HB3 LEU 8 HB1 LEU 8 179.616 -4.733 3.737 359 HG LEU 8 HG LEU 8 180.794 -2.835 2.820 360 HD11 LEU 8 HD11 LEU 8 179.733 -1.059 4.026 361 HD12 LEU 8 HD12 LEU 8 179.621 -2.050 5.480 362 HD13 LEU 8 HD13 LEU 8 178.671 -2.466 4.054 363 HD21 LEU 8 HD21 LEU 8 182.232 -1.425 4.210 364 HD22 LEU 8 HD22 LEU 8 182.879 -3.059 4.056 365 HD23 LEU 8 HD23 LEU 8 182.065 -2.570 5.542 366 H VAL 9 HN VAL 9 179.665 -3.262 7.712 367 HA VAL 9 HA VAL 9 176.778 -3.592 7.206 368 HB VAL 9 HB VAL 9 176.446 -3.137 9.626 369 HG11 VAL 9 HG11 VAL 9 176.441 -5.422 8.827 370 HG12 VAL 9 HG12 VAL 9 177.211 -5.344 10.413 371 HG13 VAL 9 HG13 VAL 9 178.198 -5.500 8.960 372 HG21 VAL 9 HG21 VAL 9 179.453 -3.365 9.743 373 HG22 VAL 9 HG22 VAL 9 178.378 -3.323 11.140 374 HG23 VAL 9 HG23 VAL 9 178.499 -1.921 10.078 375 H CYS 10 HN CYS 10 175.495 -1.731 8.289 376 HA CYS 10 HA CYS 10 176.864 0.837 8.098 377 HB2 CYS 10 HB2 CYS 10 176.050 0.413 5.822 378 HB3 CYS 10 HB1 CYS 10 174.425 0.151 6.445 379 HG CYS 10 HG CYS 10 174.396 2.873 7.510 380 H ASP 11 HN ASP 11 176.009 2.399 9.394 381 HA ASP 11 HA ASP 11 173.747 1.576 11.079 382 HB2 ASP 11 HB2 ASP 11 175.900 3.638 11.597 383 HB3 ASP 11 HB1 ASP 11 174.601 3.221 12.711 384 H GLY 12 HN GLY 12 171.870 2.400 10.431 385 HA2 GLY 12 HA2 GLY 12 171.652 4.726 8.804 386 HA3 GLY 12 HA1 GLY 12 170.321 3.855 9.549 387 H ASP 13 HN ASP 13 171.802 4.268 12.212 388 HA ASP 13 HA ASP 13 170.298 6.407 13.154 389 HB2 ASP 13 HB2 ASP 13 172.883 5.301 14.269 390 HB3 ASP 13 HB1 ASP 13 171.763 6.339 15.144 391 H THR 14 HN THR 14 173.856 6.454 12.922 392 HA THR 14 HA THR 14 173.732 9.355 12.561 393 HB THR 14 HB THR 14 176.169 9.317 12.988 394 HG1 THR 14 HG1 THR 14 176.945 7.210 13.842 395 HG21 THR 14 HG21 THR 14 176.042 8.695 15.359 396 HG22 THR 14 HG22 THR 14 174.520 7.857 15.056 397 HG23 THR 14 HG23 THR 14 174.618 9.607 14.856 398 H TYR 15 HN TYR 15 173.420 6.991 10.496 399 HA TYR 15 HA TYR 15 173.819 6.695 8.279 400 HB2 TYR 15 HB2 TYR 15 174.865 9.530 8.393 401 HB3 TYR 15 HB1 TYR 15 174.380 8.659 6.942 402 HD1 TYR 15 HD1 TYR 15 173.299 10.772 9.615 403 HD2 TYR 15 HD2 TYR 15 171.937 7.925 6.761 404 HE1 TYR 15 HE1 TYR 15 171.002 11.601 9.893 405 HE2 TYR 15 HE2 TYR 15 169.636 8.747 7.031 406 HH TYR 15 HH TYR 15 168.291 9.941 8.709 407 H LYS 16 HN LYS 16 175.946 6.162 10.316 408 HA LYS 16 HA LYS 16 178.383 6.561 8.755 409 HB2 LYS 16 HB2 LYS 16 179.565 5.738 10.724 410 HB3 LYS 16 HB1 LYS 16 178.463 7.036 11.164 411 HG2 LYS 16 HG2 LYS 16 176.865 5.426 12.019 412 HG3 LYS 16 HG1 LYS 16 177.912 4.096 11.518 413 HD2 LYS 16 HD2 LYS 16 179.643 4.862 13.053 414 HD3 LYS 16 HD1 LYS 16 178.634 6.230 13.528 415 HE2 LYS 16 HE2 LYS 16 176.949 4.679 14.394 416 HE3 LYS 16 HE1 LYS 16 177.960 3.315 13.920 417 HZ1 LYS 16 HZ1 LYS 16 178.204 3.822 16.267 418 HZ2 LYS 16 HZ2 LYS 16 178.689 5.401 15.906 419 HZ3 LYS 16 HZ3 LYS 16 179.661 4.094 15.452 420 H CYS 17 HN CYS 17 179.462 4.967 7.727 421 HA CYS 17 HA CYS 17 178.207 2.307 7.728 422 HB2 CYS 17 HB2 CYS 17 178.235 3.439 5.551 423 HB3 CYS 17 HB1 CYS 17 179.984 3.604 5.650 424 HG CYS 17 HG CYS 17 180.263 0.705 5.764 425 H THR 18 HN THR 18 179.228 0.835 8.902 426 HA THR 18 HA THR 18 182.080 1.129 9.453 427 HB THR 18 HB THR 18 180.120 -0.872 10.596 428 HG1 THR 18 HG1 THR 18 180.986 1.686 11.480 429 HG21 THR 18 HG21 THR 18 182.902 -0.078 11.466 430 HG22 THR 18 HG22 THR 18 182.436 -1.621 10.749 431 HG23 THR 18 HG23 THR 18 181.829 -1.170 12.342 432 H ALA 19 HN ALA 19 183.562 -0.610 9.174 433 HA ALA 19 HA ALA 19 182.727 -2.807 7.440 434 HB1 ALA 19 HB1 ALA 19 184.479 -2.407 5.822 435 HB2 ALA 19 HB2 ALA 19 185.023 -0.991 6.719 436 HB3 ALA 19 HB3 ALA 19 183.443 -0.985 5.938 437 H TYR 20 HN TYR 20 184.135 -4.602 7.462 438 HA TYR 20 HA TYR 20 186.077 -4.562 9.676 439 HB2 TYR 20 HB2 TYR 20 184.380 -6.833 8.627 440 HB3 TYR 20 HB1 TYR 20 185.647 -7.023 9.835 441 HD1 TYR 20 HD1 TYR 20 185.273 -6.435 12.112 442 HD2 TYR 20 HD2 TYR 20 182.347 -5.506 9.169 443 HE1 TYR 20 HE1 TYR 20 183.664 -5.895 13.892 444 HE2 TYR 20 HE2 TYR 20 180.729 -4.963 10.940 445 HH TYR 20 HH TYR 20 181.624 -4.552 14.184 446 H LEU 21 HN LEU 21 188.123 -4.687 9.075 447 HA LEU 21 HA LEU 21 188.814 -5.586 6.403 448 HB2 LEU 21 HB2 LEU 21 190.552 -4.489 8.614 449 HB3 LEU 21 HB1 LEU 21 191.077 -4.808 6.972 450 HG LEU 21 HG LEU 21 189.041 -2.746 7.819 451 HD11 LEU 21 HD11 LEU 21 191.330 -2.128 8.372 452 HD12 LEU 21 HD12 LEU 21 190.716 -1.140 7.046 453 HD13 LEU 21 HD13 LEU 21 191.833 -2.464 6.715 454 HD21 LEU 21 HD21 LEU 21 188.451 -3.689 5.663 455 HD22 LEU 21 HD22 LEU 21 190.097 -3.443 5.082 456 HD23 LEU 21 HD23 LEU 21 189.079 -2.054 5.462 457 H ASP 22 HN ASP 22 190.446 -7.173 5.990 458 HA ASP 22 HA ASP 22 190.376 -9.355 7.936 459 HB2 ASP 22 HB2 ASP 22 189.698 -9.816 5.598 460 HB3 ASP 22 HB1 ASP 22 191.312 -9.363 5.057 461 H TYR 23 HN TYR 23 192.165 -6.875 7.982 462 HA TYR 23 HA TYR 23 194.816 -8.025 7.695 463 HB2 TYR 23 HB2 TYR 23 194.454 -5.712 6.985 464 HB3 TYR 23 HB1 TYR 23 193.925 -5.279 8.607 465 HD1 TYR 23 HD1 TYR 23 196.824 -6.223 6.543 466 HD2 TYR 23 HD2 TYR 23 195.512 -4.886 10.362 467 HE1 TYR 23 HE1 TYR 23 199.147 -5.683 7.145 468 HE2 TYR 23 HE2 TYR 23 197.830 -4.341 10.975 469 HH TYR 23 HH TYR 23 200.109 -4.993 10.324 470 H GLY 24 HN GLY 24 196.158 -8.606 9.336 471 HA2 GLY 24 HA2 GLY 24 196.857 -9.135 11.460 472 HA3 GLY 24 HA1 GLY 24 195.788 -7.870 12.049 473 H ASP 25 HN ASP 25 194.672 -8.769 13.666 474 HA ASP 25 HA ASP 25 193.641 -11.487 13.366 475 HB2 ASP 25 HB2 ASP 25 193.670 -9.645 15.766 476 HB3 ASP 25 HB1 ASP 25 193.091 -11.308 15.769 477 H GLY 26 HN GLY 26 192.552 -8.967 12.032 478 HA2 GLY 26 HA2 GLY 26 190.451 -8.335 11.334 479 HA3 GLY 26 HA1 GLY 26 189.796 -9.657 12.289 480 H LYS 27 HN LYS 27 191.824 -7.227 13.742 481 HA LYS 27 HA LYS 27 189.527 -6.340 15.328 482 HB2 LYS 27 HB2 LYS 27 192.490 -5.963 15.793 483 HB3 LYS 27 HB1 LYS 27 191.216 -5.426 16.879 484 HG2 LYS 27 HG2 LYS 27 191.808 -8.282 16.131 485 HG3 LYS 27 HG1 LYS 27 192.230 -7.496 17.653 486 HD2 LYS 27 HD2 LYS 27 189.859 -7.136 18.128 487 HD3 LYS 27 HD1 LYS 27 189.432 -7.907 16.599 488 HE2 LYS 27 HE2 LYS 27 190.879 -9.217 18.899 489 HE3 LYS 27 HE1 LYS 27 189.181 -9.446 18.485 490 HZ1 LYS 27 HZ1 LYS 27 191.492 -10.157 16.758 491 HZ2 LYS 27 HZ2 LYS 27 189.862 -10.382 16.364 492 HZ3 LYS 27 HZ3 LYS 27 190.549 -11.248 17.643 493 H TRP 28 HN TRP 28 190.573 -5.413 12.524 494 HA TRP 28 HA TRP 28 190.613 -2.534 13.147 495 HB2 TRP 28 HB2 TRP 28 191.664 -3.960 10.692 496 HB3 TRP 28 HB1 TRP 28 191.715 -2.221 10.965 497 HD1 TRP 28 HD1 TRP 28 193.386 -5.477 12.064 498 HE1 TRP 28 HE1 TRP 28 195.570 -4.906 13.302 499 HE3 TRP 28 HE3 TRP 28 192.845 -0.402 12.369 500 HZ2 TRP 28 HZ2 TRP 28 196.888 -2.609 14.279 501 HZ3 TRP 28 HZ3 TRP 28 194.612 0.908 13.471 502 HH2 TRP 28 HH2 TRP 28 196.592 -0.174 14.406 503 H VAL 29 HN VAL 29 189.053 -1.246 12.333 504 HA VAL 29 HA VAL 29 187.293 -2.308 10.242 505 HB VAL 29 HB VAL 29 185.291 -1.526 11.452 506 HG11 VAL 29 HG11 VAL 29 186.948 -3.542 12.966 507 HG12 VAL 29 HG12 VAL 29 185.923 -3.873 11.569 508 HG13 VAL 29 HG13 VAL 29 185.200 -3.349 13.089 509 HG21 VAL 29 HG21 VAL 29 186.337 0.153 12.872 510 HG22 VAL 29 HG22 VAL 29 187.198 -1.110 13.754 511 HG23 VAL 29 HG23 VAL 29 185.438 -1.012 13.846 512 H ALA 30 HN ALA 30 186.513 -0.811 8.835 513 HA ALA 30 HA ALA 30 187.580 1.897 9.099 514 HB1 ALA 30 HB1 ALA 30 188.031 0.697 7.019 515 HB2 ALA 30 HB2 ALA 30 187.049 2.133 6.726 516 HB3 ALA 30 HB3 ALA 30 186.299 0.536 6.730 517 H GLN 31 HN GLN 31 186.234 3.748 8.588 518 HA GLN 31 HA GLN 31 183.368 3.421 8.634 519 HB2 GLN 31 HB2 GLN 31 184.862 4.574 10.980 520 HB3 GLN 31 HB1 GLN 31 183.180 4.970 10.662 521 HG2 GLN 31 HG2 GLN 31 182.636 2.561 10.774 522 HG3 GLN 31 HG1 GLN 31 184.313 2.238 11.213 523 HE21 GLN 31 HE21 GLN 31 185.055 2.822 13.241 524 HE22 GLN 31 HE22 GLN 31 183.988 3.239 14.533 525 H TRP 32 HN TRP 32 182.398 5.013 7.549 526 HA TRP 32 HA TRP 32 183.606 7.652 7.387 527 HB2 TRP 32 HB2 TRP 32 183.530 7.675 4.912 528 HB3 TRP 32 HB1 TRP 32 184.684 6.500 5.535 529 HD1 TRP 32 HD1 TRP 32 181.574 6.788 3.423 530 HE1 TRP 32 HE1 TRP 32 180.961 4.470 2.484 531 HE3 TRP 32 HE3 TRP 32 184.787 3.917 6.178 532 HZ2 TRP 32 HZ2 TRP 32 181.736 1.782 2.862 533 HZ3 TRP 32 HZ3 TRP 32 184.787 1.482 5.827 534 HH2 TRP 32 HH2 TRP 32 183.291 0.438 4.204 535 H ASP 33 HN ASP 33 182.101 9.210 7.316 536 HA ASP 33 HA ASP 33 179.393 8.647 7.700 537 HB2 ASP 33 HB2 ASP 33 180.666 11.217 6.735 538 HB3 ASP 33 HB1 ASP 33 179.029 11.067 7.366 539 H THR 34 HN THR 34 177.593 8.743 6.386 540 HA THR 34 HA THR 34 177.955 9.215 3.528 541 HB THR 34 HB THR 34 176.804 7.131 2.908 542 HG1 THR 34 HG1 THR 34 175.949 5.896 4.400 543 HG21 THR 34 HG21 THR 34 179.271 6.679 4.590 544 HG22 THR 34 HG22 THR 34 179.247 7.172 2.897 545 HG23 THR 34 HG23 THR 34 178.648 5.579 3.361 546 H ALA 35 HN ALA 35 175.637 8.691 2.465 547 HA ALA 35 HA ALA 35 173.646 10.059 4.155 548 HB1 ALA 35 HB1 ALA 35 172.730 11.047 2.116 549 HB2 ALA 35 HB2 ALA 35 173.975 10.241 1.162 550 HB3 ALA 35 HB3 ALA 35 174.426 11.481 2.331 551 H VAL 36 HN VAL 36 171.793 9.016 4.516 552 HA VAL 36 HA VAL 36 171.019 6.840 2.693 553 HB VAL 36 HB VAL 36 170.773 6.699 5.700 554 HG11 VAL 36 HG11 VAL 36 170.290 4.638 3.550 555 HG12 VAL 36 HG12 VAL 36 169.056 5.451 4.513 556 HG13 VAL 36 HG13 VAL 36 170.197 4.352 5.288 557 HG21 VAL 36 HG21 VAL 36 172.549 5.003 5.593 558 HG22 VAL 36 HG22 VAL 36 173.115 6.589 5.066 559 HG23 VAL 36 HG23 VAL 36 172.753 5.341 3.873 560 H PHE 37 HN PHE 37 168.911 6.772 2.152 561 HA PHE 37 HA PHE 37 166.908 8.099 3.767 562 HB2 PHE 37 HB2 PHE 37 166.116 9.562 1.978 563 HB3 PHE 37 HB1 PHE 37 167.785 9.940 2.388 564 HD1 PHE 37 HD1 PHE 37 165.550 8.535 -0.140 565 HD2 PHE 37 HD2 PHE 37 169.578 9.517 0.828 566 HE1 PHE 37 HE1 PHE 37 166.178 8.279 -2.505 567 HE2 PHE 37 HE2 PHE 37 170.211 9.264 -1.535 568 HZ PHE 37 HZ PHE 37 168.511 8.644 -3.205 569 H HIS 38 HN HIS 38 164.731 7.626 3.079 570 HA HIS 38 HA HIS 38 164.472 4.965 2.089 571 HB2 HIS 38 HB2 HIS 38 162.961 5.878 3.803 572 HB3 HIS 38 HB1 HIS 38 162.339 7.041 2.637 573 HD1 HIS 38 HD1 HIS 38 160.538 6.248 1.044 574 HD2 HIS 38 HD2 HIS 38 162.175 3.173 3.310 575 HE1 HIS 38 HE1 HIS 38 159.064 4.252 0.633 576 HE2 HIS 38 HE2 HIS 38 160.073 2.401 2.014 577 H THR 39 HN THR 39 163.809 4.225 0.134 578 HA THR 39 HA THR 39 163.392 6.243 -1.976 579 HB THR 39 HB THR 39 164.332 4.625 -3.576 580 HG1 THR 39 HG1 THR 39 164.716 3.068 -1.224 581 HG21 THR 39 HG21 THR 39 166.144 5.184 -1.224 582 HG22 THR 39 HG22 THR 39 165.816 6.284 -2.563 583 HG23 THR 39 HG23 THR 39 166.673 4.770 -2.854 584 H THR 40 HN THR 40 162.373 5.007 -3.998 585 HA THR 40 HA THR 40 160.236 3.213 -3.120 586 HB THR 40 HB THR 40 158.521 4.521 -4.309 587 HG1 THR 40 HG1 THR 40 159.045 6.639 -4.993 588 HG21 THR 40 HG21 THR 40 158.313 6.345 -2.681 589 HG22 THR 40 HG22 THR 40 159.990 6.100 -2.193 590 HG23 THR 40 HG23 THR 40 158.793 4.838 -1.900 591 H1 ALA 1 HT1 ALA 1 174.148 4.604 -16.014 592 H2 ALA 1 HT2 ALA 1 175.524 3.663 -15.727 593 H3 ALA 1 HT3 ALA 1 175.110 4.903 -14.654 594 HA ALA 1 HA ALA 1 173.103 3.752 -14.023 595 HB1 ALA 1 HB1 ALA 1 174.092 1.575 -15.859 596 HB2 ALA 1 HB2 ALA 1 172.717 2.636 -16.168 597 HB3 ALA 1 HB3 ALA 1 172.669 1.496 -14.822 598 HA PRO 2 HA PRO 2 175.630 2.100 -10.810 599 HB2 PRO 2 HB2 PRO 2 173.836 0.533 -9.496 600 HB3 PRO 2 HB1 PRO 2 173.818 2.300 -9.408 601 HG2 PRO 2 HG2 PRO 2 172.132 0.488 -11.073 602 HG3 PRO 2 HG1 PRO 2 171.668 1.946 -10.175 603 HD2 PRO 2 HD2 PRO 2 172.075 1.968 -12.844 604 HD3 PRO 2 HD1 PRO 2 172.429 3.367 -11.811 605 H VAL 3 HN VAL 3 177.083 0.504 -10.754 606 HA VAL 3 HA VAL 3 176.372 -2.074 -11.993 607 HB VAL 3 HB VAL 3 178.759 -2.355 -12.532 608 HG11 VAL 3 HG11 VAL 3 177.252 -1.428 -14.205 609 HG12 VAL 3 HG12 VAL 3 178.859 -0.715 -14.349 610 HG13 VAL 3 HG13 VAL 3 177.554 0.199 -13.592 611 HG21 VAL 3 HG21 VAL 3 180.286 -0.442 -12.351 612 HG22 VAL 3 HG22 VAL 3 179.715 -0.974 -10.769 613 HG23 VAL 3 HG23 VAL 3 179.032 0.472 -11.512 614 HA PRO 4 HA PRO 4 177.250 -3.969 -8.094 615 HB2 PRO 4 HB2 PRO 4 177.766 -6.500 -8.889 616 HB3 PRO 4 HB1 PRO 4 176.138 -5.807 -8.937 617 HG2 PRO 4 HG2 PRO 4 178.097 -6.151 -11.162 618 HG3 PRO 4 HG1 PRO 4 176.344 -6.429 -11.153 619 HD2 PRO 4 HD2 PRO 4 177.479 -4.185 -12.181 620 HD3 PRO 4 HD1 PRO 4 175.853 -4.215 -11.468 621 H VAL 5 HN VAL 5 178.962 -4.518 -6.784 622 HA VAL 5 HA VAL 5 181.611 -4.123 -7.922 623 HB VAL 5 HB VAL 5 180.815 -4.483 -5.029 624 HG11 VAL 5 HG11 VAL 5 183.010 -3.510 -4.539 625 HG12 VAL 5 HG12 VAL 5 183.374 -3.471 -6.265 626 HG13 VAL 5 HG13 VAL 5 183.155 -5.017 -5.446 627 HG21 VAL 5 HG21 VAL 5 181.321 -1.959 -6.602 628 HG22 VAL 5 HG22 VAL 5 181.054 -2.045 -4.861 629 HG23 VAL 5 HG23 VAL 5 179.766 -2.505 -5.975 630 H THR 6 HN THR 6 182.947 -5.733 -8.408 631 HA THR 6 HA THR 6 182.235 -8.455 -7.672 632 HB THR 6 HB THR 6 184.035 -9.135 -9.209 633 HG1 THR 6 HG1 THR 6 184.985 -7.350 -10.472 634 HG21 THR 6 HG21 THR 6 181.795 -8.751 -10.108 635 HG22 THR 6 HG22 THR 6 183.029 -8.300 -11.285 636 HG23 THR 6 HG23 THR 6 182.182 -7.051 -10.372 637 H LYS 7 HN LYS 7 184.673 -6.052 -6.979 638 HA LYS 7 HA LYS 7 185.678 -7.731 -4.812 639 HB2 LYS 7 HB2 LYS 7 187.196 -8.153 -6.690 640 HB3 LYS 7 HB1 LYS 7 187.467 -6.427 -6.873 641 HG2 LYS 7 HG2 LYS 7 188.480 -6.351 -4.649 642 HG3 LYS 7 HG1 LYS 7 188.222 -8.087 -4.476 643 HD2 LYS 7 HD2 LYS 7 189.712 -7.086 -6.855 644 HD3 LYS 7 HD1 LYS 7 190.534 -7.129 -5.294 645 HE2 LYS 7 HE2 LYS 7 190.919 -9.175 -6.593 646 HE3 LYS 7 HE1 LYS 7 190.068 -9.500 -5.084 647 HZ1 LYS 7 HZ1 LYS 7 189.208 -10.658 -7.129 648 HZ2 LYS 7 HZ2 LYS 7 188.651 -9.152 -7.662 649 HZ3 LYS 7 HZ3 LYS 7 188.055 -9.815 -6.224 650 H LEU 8 HN LEU 8 186.245 -6.592 -3.009 651 HA LEU 8 HA LEU 8 186.460 -3.678 -3.207 652 HB2 LEU 8 HB2 LEU 8 184.090 -4.525 -2.611 653 HB3 LEU 8 HB1 LEU 8 184.785 -4.932 -1.054 654 HG LEU 8 HG LEU 8 183.674 -2.794 -0.916 655 HD11 LEU 8 HD11 LEU 8 185.439 -1.459 -0.004 656 HD12 LEU 8 HD12 LEU 8 186.649 -2.334 -0.942 657 HD13 LEU 8 HD13 LEU 8 185.778 -3.153 0.354 658 HD21 LEU 8 HD21 LEU 8 184.412 -0.876 -2.243 659 HD22 LEU 8 HD22 LEU 8 183.778 -2.166 -3.264 660 HD23 LEU 8 HD23 LEU 8 185.519 -1.921 -3.134 661 H VAL 9 HN VAL 9 188.444 -3.311 -2.453 662 HA VAL 9 HA VAL 9 189.281 -4.703 0.009 663 HB VAL 9 HB VAL 9 191.619 -4.256 -0.702 664 HG11 VAL 9 HG11 VAL 9 190.637 -6.429 -1.118 665 HG12 VAL 9 HG12 VAL 9 191.689 -5.980 -2.461 666 HG13 VAL 9 HG13 VAL 9 189.939 -5.852 -2.631 667 HG21 VAL 9 HG21 VAL 9 190.315 -3.364 -3.272 668 HG22 VAL 9 HG22 VAL 9 192.043 -3.634 -3.045 669 HG23 VAL 9 HG23 VAL 9 191.226 -2.349 -2.153 670 H CYS 10 HN CYS 10 191.052 -3.378 1.189 671 HA CYS 10 HA CYS 10 190.573 -0.503 1.066 672 HB2 CYS 10 HB2 CYS 10 188.892 -1.330 2.649 673 HB3 CYS 10 HB1 CYS 10 190.152 -2.129 3.582 674 HG CYS 10 HG CYS 10 191.439 0.453 4.052 675 H ASP 11 HN ASP 11 192.299 0.713 1.694 676 HA ASP 11 HA ASP 11 194.718 -0.777 2.446 677 HB2 ASP 11 HB2 ASP 11 194.442 1.956 1.176 678 HB3 ASP 11 HB1 ASP 11 195.966 1.161 1.559 679 H GLY 12 HN GLY 12 195.110 -0.736 4.559 680 HA2 GLY 12 HA2 GLY 12 194.064 1.247 6.314 681 HA3 GLY 12 HA1 GLY 12 195.222 -0.003 6.738 682 H ASP 13 HN ASP 13 196.939 1.081 4.427 683 HA ASP 13 HA ASP 13 198.721 2.574 5.950 684 HB2 ASP 13 HB2 ASP 13 198.381 2.557 2.943 685 HB3 ASP 13 HB1 ASP 13 199.794 3.165 3.802 686 H THR 14 HN THR 14 196.892 3.904 3.191 687 HA THR 14 HA THR 14 196.991 6.533 4.474 688 HB THR 14 HB THR 14 196.245 7.413 2.285 689 HG1 THR 14 HG1 THR 14 196.380 5.789 0.519 690 HG21 THR 14 HG21 THR 14 198.313 6.929 1.054 691 HG22 THR 14 HG22 THR 14 198.640 5.578 2.139 692 HG23 THR 14 HG23 THR 14 198.635 7.226 2.763 693 H TYR 15 HN TYR 15 195.024 4.098 4.874 694 HA TYR 15 HA TYR 15 192.853 3.837 5.491 695 HB2 TYR 15 HB2 TYR 15 192.826 6.861 5.579 696 HB3 TYR 15 HB1 TYR 15 191.662 5.788 6.351 697 HD1 TYR 15 HD1 TYR 15 194.770 7.514 6.705 698 HD2 TYR 15 HD2 TYR 15 192.531 4.203 8.159 699 HE1 TYR 15 HE1 TYR 15 196.172 7.461 8.726 700 HE2 TYR 15 HE2 TYR 15 193.925 4.141 10.185 701 HH TYR 15 HH TYR 15 196.165 4.859 10.901 702 H LYS 16 HN LYS 16 193.605 4.241 2.623 703 HA LYS 16 HA LYS 16 191.164 5.409 1.522 704 HB2 LYS 16 HB2 LYS 16 192.254 5.194 -0.650 705 HB3 LYS 16 HB1 LYS 16 193.306 6.022 0.489 706 HG2 LYS 16 HG2 LYS 16 194.592 3.995 0.820 707 HG3 LYS 16 HG1 LYS 16 193.507 3.112 -0.257 708 HD2 LYS 16 HD2 LYS 16 194.160 4.547 -2.114 709 HD3 LYS 16 HD1 LYS 16 195.209 5.478 -1.044 710 HE2 LYS 16 HE2 LYS 16 196.553 3.473 -0.626 711 HE3 LYS 16 HE1 LYS 16 195.503 2.548 -1.700 712 HZ1 LYS 16 HZ1 LYS 16 197.521 3.247 -2.824 713 HZ2 LYS 16 HZ2 LYS 16 197.175 4.870 -2.497 714 HZ3 LYS 16 HZ3 LYS 16 196.168 3.983 -3.527 715 H CYS 17 HN CYS 17 189.568 4.260 0.575 716 HA CYS 17 HA CYS 17 189.814 1.330 0.664 717 HB2 CYS 17 HB2 CYS 17 188.026 2.263 2.063 718 HB3 CYS 17 HB1 CYS 17 187.332 3.061 0.655 719 HG CYS 17 HG CYS 17 186.946 0.476 -0.637 720 H THR 18 HN THR 18 190.198 0.407 -1.229 721 HA THR 18 HA THR 18 189.413 1.755 -3.696 722 HB THR 18 HB THR 18 191.069 -0.752 -3.344 723 HG1 THR 18 HG1 THR 18 191.767 1.993 -3.570 724 HG21 THR 18 HG21 THR 18 190.659 1.053 -5.733 725 HG22 THR 18 HG22 THR 18 190.051 -0.593 -5.554 726 HG23 THR 18 HG23 THR 18 191.787 -0.301 -5.656 727 H ALA 19 HN ALA 19 188.273 0.664 -5.374 728 HA ALA 19 HA ALA 19 186.858 -1.785 -4.647 729 HB1 ALA 19 HB1 ALA 19 184.681 -0.871 -5.166 730 HB2 ALA 19 HB2 ALA 19 185.396 0.697 -5.536 731 HB3 ALA 19 HB3 ALA 19 185.433 0.080 -3.885 732 H TYR 20 HN TYR 20 186.010 -2.938 -6.424 733 HA TYR 20 HA TYR 20 187.074 -2.058 -9.027 734 HB2 TYR 20 HB2 TYR 20 186.648 -4.852 -7.951 735 HB3 TYR 20 HB1 TYR 20 187.107 -4.492 -9.612 736 HD1 TYR 20 HD1 TYR 20 189.355 -3.948 -10.176 737 HD2 TYR 20 HD2 TYR 20 188.219 -4.328 -6.095 738 HE1 TYR 20 HE1 TYR 20 191.726 -3.927 -9.522 739 HE2 TYR 20 HE2 TYR 20 190.587 -4.309 -5.428 740 HH TYR 20 HH TYR 20 193.083 -3.407 -7.537 741 H LEU 21 HN LEU 21 185.591 -1.463 -10.445 742 HA LEU 21 HA LEU 21 182.813 -2.206 -10.061 743 HB2 LEU 21 HB2 LEU 21 184.098 -0.420 -12.127 744 HB3 LEU 21 HB1 LEU 21 182.373 -0.622 -11.891 745 HG LEU 21 HG LEU 21 184.305 0.600 -9.920 746 HD11 LEU 21 HD11 LEU 21 183.819 2.043 -11.820 747 HD12 LEU 21 HD12 LEU 21 183.057 2.657 -10.353 748 HD13 LEU 21 HD13 LEU 21 182.090 1.816 -11.564 749 HD21 LEU 21 HD21 LEU 21 182.562 -0.621 -8.756 750 HD22 LEU 21 HD22 LEU 21 181.326 0.176 -9.731 751 HD23 LEU 21 HD23 LEU 21 182.299 1.116 -8.601 752 H ASP 22 HN ASP 22 181.504 -3.108 -11.743 753 HA ASP 22 HA ASP 22 182.980 -5.044 -13.363 754 HB2 ASP 22 HB2 ASP 22 181.175 -5.860 -11.874 755 HB3 ASP 22 HB1 ASP 22 180.017 -4.882 -12.770 756 H TYR 23 HN TYR 23 182.507 -2.085 -13.969 757 HA TYR 23 HA TYR 23 180.898 -2.201 -16.383 758 HB2 TYR 23 HB2 TYR 23 180.724 -0.228 -14.948 759 HB3 TYR 23 HB1 TYR 23 182.448 0.078 -15.133 760 HD1 TYR 23 HD1 TYR 23 179.186 0.136 -16.840 761 HD2 TYR 23 HD2 TYR 23 183.314 1.127 -17.108 762 HE1 TYR 23 HE1 TYR 23 178.719 1.524 -18.816 763 HE2 TYR 23 HE2 TYR 23 182.860 2.518 -19.084 764 HH TYR 23 HH TYR 23 181.163 2.705 -20.852 765 H GLY 24 HN GLY 24 181.655 -2.153 -18.446 766 HA2 GLY 24 HA2 GLY 24 183.140 -2.262 -20.197 767 HA3 GLY 24 HA1 GLY 24 184.304 -1.443 -19.167 768 H ASP 25 HN ASP 25 186.128 -2.589 -19.338 769 HA ASP 25 HA ASP 25 186.000 -5.509 -19.309 770 HB2 ASP 25 HB2 ASP 25 188.327 -3.644 -19.820 771 HB3 ASP 25 HB1 ASP 25 188.390 -5.401 -19.932 772 H GLY 26 HN GLY 26 185.636 -3.645 -16.919 773 HA2 GLY 26 HA2 GLY 26 186.064 -3.867 -14.668 774 HA3 GLY 26 HA1 GLY 26 187.039 -5.277 -15.048 775 H LYS 27 HN LYS 27 187.691 -2.193 -16.528 776 HA LYS 27 HA LYS 27 190.248 -2.113 -15.104 777 HB2 LYS 27 HB2 LYS 27 189.347 -0.652 -17.591 778 HB3 LYS 27 HB1 LYS 27 190.953 -0.554 -16.884 779 HG2 LYS 27 HG2 LYS 27 189.670 -3.036 -18.008 780 HG3 LYS 27 HG1 LYS 27 190.913 -2.061 -18.792 781 HD2 LYS 27 HD2 LYS 27 192.462 -2.565 -16.967 782 HD3 LYS 27 HD1 LYS 27 191.217 -3.528 -16.171 783 HE2 LYS 27 HE2 LYS 27 192.416 -4.078 -18.885 784 HE3 LYS 27 HE1 LYS 27 192.802 -4.937 -17.393 785 HZ1 LYS 27 HZ1 LYS 27 190.135 -4.856 -18.701 786 HZ2 LYS 27 HZ2 LYS 27 190.507 -5.684 -17.273 787 HZ3 LYS 27 HZ3 LYS 27 191.211 -6.162 -18.734 788 H TRP 28 HN TRP 28 187.416 -1.036 -14.308 789 HA TRP 28 HA TRP 28 188.302 1.689 -13.629 790 HB2 TRP 28 HB2 TRP 28 185.484 0.601 -13.821 791 HB3 TRP 28 HB1 TRP 28 185.915 2.252 -13.386 792 HD1 TRP 28 HD1 TRP 28 185.713 -0.096 -16.393 793 HE1 TRP 28 HE1 TRP 28 185.873 1.305 -18.546 794 HE3 TRP 28 HE3 TRP 28 186.858 4.439 -14.328 795 HZ2 TRP 28 HZ2 TRP 28 186.413 3.979 -19.273 796 HZ3 TRP 28 HZ3 TRP 28 187.180 6.368 -15.821 797 HH2 TRP 28 HH2 TRP 28 186.963 6.140 -18.243 798 H VAL 29 HN VAL 29 188.460 2.266 -11.532 799 HA VAL 29 HA VAL 29 187.294 0.513 -9.492 800 HB VAL 29 HB VAL 29 189.373 0.579 -8.167 801 HG11 VAL 29 HG11 VAL 29 189.697 -0.598 -10.926 802 HG12 VAL 29 HG12 VAL 29 188.896 -1.363 -9.553 803 HG13 VAL 29 HG13 VAL 29 190.631 -1.049 -9.500 804 HG21 VAL 29 HG21 VAL 29 190.351 2.606 -9.097 805 HG22 VAL 29 HG22 VAL 29 190.577 1.801 -10.650 806 HG23 VAL 29 HG23 VAL 29 191.476 1.254 -9.234 807 H ALA 30 HN ALA 30 186.598 1.534 -7.675 808 HA ALA 30 HA ALA 30 186.676 4.455 -7.720 809 HB1 ALA 30 HB1 ALA 30 184.490 3.381 -7.524 810 HB2 ALA 30 HB2 ALA 30 184.860 4.340 -6.090 811 HB3 ALA 30 HB3 ALA 30 185.010 2.584 -6.040 812 H GLN 31 HN GLN 31 187.071 5.653 -5.742 813 HA GLN 31 HA GLN 31 188.384 4.305 -3.555 814 HB2 GLN 31 HB2 GLN 31 189.908 6.062 -5.468 815 HB3 GLN 31 HB1 GLN 31 190.448 5.796 -3.817 816 HG2 GLN 31 HG2 GLN 31 190.498 3.366 -4.270 817 HG3 GLN 31 HG1 GLN 31 190.075 3.705 -5.948 818 HE21 GLN 31 HE21 GLN 31 191.593 4.640 -7.301 819 HE22 GLN 31 HE22 GLN 31 193.271 4.713 -6.899 820 H TRP 32 HN TRP 32 188.071 5.366 -1.704 821 HA TRP 32 HA TRP 32 187.701 8.248 -1.685 822 HB2 TRP 32 HB2 TRP 32 185.560 8.095 -0.450 823 HB3 TRP 32 HB1 TRP 32 185.435 7.462 -2.088 824 HD1 TRP 32 HD1 TRP 32 185.037 6.466 1.526 825 HE1 TRP 32 HE1 TRP 32 184.204 4.034 1.656 826 HE3 TRP 32 HE3 TRP 32 185.634 5.137 -3.375 827 HZ2 TRP 32 HZ2 TRP 32 183.850 1.842 -0.086 828 HZ3 TRP 32 HZ3 TRP 32 185.025 2.854 -4.061 829 HH2 TRP 32 HH2 TRP 32 184.152 1.241 -2.449 830 H ASP 33 HN ASP 33 188.521 9.142 0.112 831 HA ASP 33 HA ASP 33 190.031 7.652 1.928 832 HB2 ASP 33 HB2 ASP 33 188.915 10.447 2.248 833 HB3 ASP 33 HB1 ASP 33 190.203 9.747 3.225 834 H THR 34 HN THR 34 189.711 7.006 4.039 835 HA THR 34 HA THR 34 187.088 7.405 5.255 836 HB THR 34 HB THR 34 186.811 5.012 5.754 837 HG1 THR 34 HG1 THR 34 188.363 3.642 5.314 838 HG21 THR 34 HG21 THR 34 187.105 5.595 2.804 839 HG22 THR 34 HG22 THR 34 185.688 5.942 3.793 840 HG23 THR 34 HG23 THR 34 186.173 4.271 3.504 841 H ALA 35 HN ALA 35 187.149 6.009 7.451 842 HA ALA 35 HA ALA 35 189.718 6.653 8.747 843 HB1 ALA 35 HB1 ALA 35 188.465 7.116 10.794 844 HB2 ALA 35 HB2 ALA 35 186.955 6.764 9.953 845 HB3 ALA 35 HB3 ALA 35 187.931 8.151 9.470 846 H VAL 36 HN VAL 36 190.756 5.030 9.714 847 HA VAL 36 HA VAL 36 189.236 2.616 10.441 848 HB VAL 36 HB VAL 36 191.978 2.575 9.176 849 HG11 VAL 36 HG11 VAL 36 190.053 0.356 9.860 850 HG12 VAL 36 HG12 VAL 36 191.566 0.718 10.690 851 HG13 VAL 36 HG13 VAL 36 191.590 0.158 9.017 852 HG21 VAL 36 HG21 VAL 36 190.861 1.643 7.195 853 HG22 VAL 36 HG22 VAL 36 190.334 3.290 7.538 854 HG23 VAL 36 HG23 VAL 36 189.297 1.927 7.957 855 H PHE 37 HN PHE 37 189.718 1.750 12.380 856 HA PHE 37 HA PHE 37 192.222 2.348 13.705 857 HB2 PHE 37 HB2 PHE 37 191.190 3.311 15.701 858 HB3 PHE 37 HB1 PHE 37 190.833 4.296 14.286 859 HD1 PHE 37 HD1 PHE 37 189.459 2.024 16.798 860 HD2 PHE 37 HD2 PHE 37 188.586 4.465 13.421 861 HE1 PHE 37 HE1 PHE 37 187.057 1.874 17.313 862 HE2 PHE 37 HE2 PHE 37 186.184 4.320 13.932 863 HZ PHE 37 HZ PHE 37 185.417 3.024 15.880 864 H HIS 38 HN HIS 38 192.554 1.072 15.629 865 HA HIS 38 HA HIS 38 191.473 -1.553 15.377 866 HB2 HIS 38 HB2 HIS 38 193.787 -1.155 16.112 867 HB3 HIS 38 HB1 HIS 38 193.189 -0.372 17.571 868 HD1 HIS 38 HD1 HIS 38 192.514 -1.862 19.503 869 HD2 HIS 38 HD2 HIS 38 193.378 -3.986 16.037 870 HE1 HIS 38 HE1 HIS 38 192.581 -4.279 20.194 871 HE2 HIS 38 HE2 HIS 38 193.105 -5.547 18.082 872 H THR 39 HN THR 39 189.964 -2.600 16.576 873 HA THR 39 HA THR 39 188.547 -1.004 18.611 874 HB THR 39 HB THR 39 186.508 -2.259 18.038 875 HG1 THR 39 HG1 THR 39 188.210 -3.425 16.077 876 HG21 THR 39 HG21 THR 39 187.818 -0.937 15.658 877 HG22 THR 39 HG22 THR 39 186.925 -0.115 16.938 878 HG23 THR 39 HG23 THR 39 186.089 -1.225 15.852 879 H THR 40 HN THR 40 187.081 -2.645 19.958 880 HA THR 40 HA THR 40 188.613 -5.040 20.651 881 HB THR 40 HB THR 40 188.514 -4.522 23.057 882 HG1 THR 40 HG1 THR 40 187.932 -2.404 23.692 883 HG21 THR 40 HG21 THR 40 190.268 -2.807 23.094 884 HG22 THR 40 HG22 THR 40 189.897 -2.392 21.420 885 HG23 THR 40 HG23 THR 40 190.548 -3.984 21.811 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 170.877 -0.642 16.931 2 H2 ALA 1 HT2 ALA 1 170.411 -0.121 15.391 3 H3 ALA 1 HT3 ALA 1 172.040 -0.065 15.847 4 HA ALA 1 HA ALA 1 172.133 -2.459 15.980 5 HB1 ALA 1 HB1 ALA 1 169.283 -2.356 15.000 6 HB2 ALA 1 HB2 ALA 1 169.799 -2.810 16.625 7 HB3 ALA 1 HB3 ALA 1 170.249 -3.811 15.245 8 HA PRO 2 HA PRO 2 173.485 -1.064 11.830 9 HB2 PRO 2 HB2 PRO 2 175.228 -3.432 12.310 10 HB3 PRO 2 HB1 PRO 2 175.659 -1.814 11.740 11 HG2 PRO 2 HG2 PRO 2 176.218 -2.549 14.226 12 HG3 PRO 2 HG1 PRO 2 175.666 -0.903 13.859 13 HD2 PRO 2 HD2 PRO 2 174.166 -3.162 15.091 14 HD3 PRO 2 HD1 PRO 2 174.062 -1.421 15.418 15 H VAL 3 HN VAL 3 173.672 -2.233 9.758 16 HA VAL 3 HA VAL 3 172.277 -4.805 9.676 17 HB VAL 3 HB VAL 3 170.845 -4.044 7.815 18 HG11 VAL 3 HG11 VAL 3 170.533 -2.453 10.359 19 HG12 VAL 3 HG12 VAL 3 169.950 -4.093 10.077 20 HG13 VAL 3 HG13 VAL 3 169.266 -2.745 9.169 21 HG21 VAL 3 HG21 VAL 3 171.906 -1.306 8.508 22 HG22 VAL 3 HG22 VAL 3 170.575 -1.638 7.400 23 HG23 VAL 3 HG23 VAL 3 172.204 -2.193 7.013 24 HA PRO 4 HA PRO 4 175.404 -5.610 6.638 25 HB2 PRO 4 HB2 PRO 4 174.437 -7.887 5.576 26 HB3 PRO 4 HB1 PRO 4 175.081 -7.823 7.224 27 HG2 PRO 4 HG2 PRO 4 172.239 -7.794 6.318 28 HG3 PRO 4 HG1 PRO 4 172.977 -8.660 7.680 29 HD2 PRO 4 HD2 PRO 4 171.594 -6.324 7.958 30 HD3 PRO 4 HD1 PRO 4 172.883 -6.843 9.061 31 H VAL 5 HN VAL 5 175.787 -5.559 4.394 32 HA VAL 5 HA VAL 5 173.648 -4.297 2.861 33 HB VAL 5 HB VAL 5 176.556 -4.665 2.126 34 HG11 VAL 5 HG11 VAL 5 174.422 -2.914 0.910 35 HG12 VAL 5 HG12 VAL 5 175.102 -4.372 0.187 36 HG13 VAL 5 HG13 VAL 5 176.120 -2.953 0.437 37 HG21 VAL 5 HG21 VAL 5 176.807 -2.299 2.721 38 HG22 VAL 5 HG22 VAL 5 176.326 -3.275 4.109 39 HG23 VAL 5 HG23 VAL 5 175.137 -2.269 3.284 40 H THR 6 HN THR 6 172.534 -5.312 1.323 41 HA THR 6 HA THR 6 173.282 -8.046 0.621 42 HB THR 6 HB THR 6 171.046 -8.197 -0.400 43 HG1 THR 6 HG1 THR 6 170.702 -5.529 0.551 44 HG21 THR 6 HG21 THR 6 171.303 -8.740 1.969 45 HG22 THR 6 HG22 THR 6 169.730 -8.005 1.662 46 HG23 THR 6 HG23 THR 6 171.019 -7.052 2.397 47 H LYS 7 HN LYS 7 172.730 -4.904 -0.873 48 HA LYS 7 HA LYS 7 174.093 -5.882 -3.285 49 HB2 LYS 7 HB2 LYS 7 171.691 -5.810 -3.767 50 HB3 LYS 7 HB1 LYS 7 171.626 -4.134 -3.241 51 HG2 LYS 7 HG2 LYS 7 173.114 -3.501 -5.073 52 HG3 LYS 7 HG1 LYS 7 173.171 -5.183 -5.603 53 HD2 LYS 7 HD2 LYS 7 170.694 -3.465 -5.450 54 HD3 LYS 7 HD1 LYS 7 171.578 -3.869 -6.924 55 HE2 LYS 7 HE2 LYS 7 171.113 -6.249 -6.531 56 HE3 LYS 7 HE1 LYS 7 170.206 -5.824 -5.080 57 HZ1 LYS 7 HZ1 LYS 7 169.530 -4.986 -7.849 58 HZ2 LYS 7 HZ2 LYS 7 168.658 -4.580 -6.457 59 HZ3 LYS 7 HZ3 LYS 7 168.741 -6.192 -6.962 60 H LEU 8 HN LEU 8 175.581 -4.506 -4.141 61 HA LEU 8 HA LEU 8 175.676 -1.753 -3.141 62 HB2 LEU 8 HB2 LEU 8 177.162 -3.405 -1.821 63 HB3 LEU 8 HB1 LEU 8 178.171 -3.421 -3.254 64 HG LEU 8 HG LEU 8 179.074 -1.869 -1.639 65 HD11 LEU 8 HD11 LEU 8 179.192 -1.319 -4.061 66 HD12 LEU 8 HD12 LEU 8 179.269 0.085 -2.998 67 HD13 LEU 8 HD13 LEU 8 177.773 -0.294 -3.850 68 HD21 LEU 8 HD21 LEU 8 177.034 -1.390 -0.400 69 HD22 LEU 8 HD22 LEU 8 176.398 -0.487 -1.775 70 HD23 LEU 8 HD23 LEU 8 177.820 0.102 -0.915 71 H VAL 9 HN VAL 9 175.501 -0.597 -4.950 72 HA VAL 9 HA VAL 9 177.153 -1.372 -7.266 73 HB VAL 9 HB VAL 9 175.505 -0.196 -8.692 74 HG11 VAL 9 HG11 VAL 9 174.388 -2.425 -6.996 75 HG12 VAL 9 HG12 VAL 9 175.365 -2.602 -8.452 76 HG13 VAL 9 HG13 VAL 9 173.744 -1.914 -8.556 77 HG21 VAL 9 HG21 VAL 9 173.884 -0.033 -6.152 78 HG22 VAL 9 HG22 VAL 9 173.303 0.368 -7.768 79 HG23 VAL 9 HG23 VAL 9 174.585 1.327 -7.030 80 H CYS 10 HN CYS 10 177.562 0.586 -8.746 81 HA CYS 10 HA CYS 10 177.853 3.097 -7.303 82 HB2 CYS 10 HB2 CYS 10 179.923 1.888 -6.783 83 HB3 CYS 10 HB1 CYS 10 180.219 1.640 -8.500 84 HG CYS 10 HG CYS 10 180.466 4.428 -9.011 85 H ASP 11 HN ASP 11 177.511 4.795 -8.595 86 HA ASP 11 HA ASP 11 177.365 4.298 -11.486 87 HB2 ASP 11 HB2 ASP 11 175.923 6.304 -11.565 88 HB3 ASP 11 HB1 ASP 11 175.281 5.070 -10.485 89 H GLY 12 HN GLY 12 179.105 4.914 -12.579 90 HA2 GLY 12 HA2 GLY 12 181.008 6.778 -11.564 91 HA3 GLY 12 HA1 GLY 12 181.010 6.065 -13.169 92 H ASP 13 HN ASP 13 178.101 7.178 -13.321 93 HA ASP 13 HA ASP 13 178.641 9.380 -14.923 94 HB2 ASP 13 HB2 ASP 13 176.105 8.766 -13.390 95 HB3 ASP 13 HB1 ASP 13 176.234 9.903 -14.728 96 H THR 14 HN THR 14 178.134 9.183 -11.467 97 HA THR 14 HA THR 14 178.844 12.026 -11.262 98 HB THR 14 HB THR 14 177.270 12.327 -9.403 99 HG1 THR 14 HG1 THR 14 176.240 9.767 -10.118 100 HG21 THR 14 HG21 THR 14 175.955 11.299 -11.922 101 HG22 THR 14 HG22 THR 14 176.553 12.938 -11.658 102 HG23 THR 14 HG23 THR 14 175.194 12.332 -10.711 103 H TYR 15 HN TYR 15 179.982 9.127 -10.716 104 HA TYR 15 HA TYR 15 181.475 8.191 -9.283 105 HB2 TYR 15 HB2 TYR 15 181.795 11.016 -8.251 106 HB3 TYR 15 HB1 TYR 15 182.932 9.690 -8.029 107 HD1 TYR 15 HD1 TYR 15 183.831 8.607 -10.247 108 HD2 TYR 15 HD2 TYR 15 182.122 12.495 -10.002 109 HE1 TYR 15 HE1 TYR 15 184.975 9.234 -12.331 110 HE2 TYR 15 HE2 TYR 15 183.260 13.133 -12.086 111 HH TYR 15 HH TYR 15 185.222 12.444 -13.400 112 H LYS 16 HN LYS 16 178.593 8.691 -8.454 113 HA LYS 16 HA LYS 16 178.862 8.742 -5.545 114 HB2 LYS 16 HB2 LYS 16 176.427 8.748 -7.335 115 HB3 LYS 16 HB1 LYS 16 176.360 8.746 -5.578 116 HG2 LYS 16 HG2 LYS 16 177.561 10.886 -5.544 117 HG3 LYS 16 HG1 LYS 16 177.574 10.891 -7.308 118 HD2 LYS 16 HD2 LYS 16 175.146 10.939 -7.349 119 HD3 LYS 16 HD1 LYS 16 175.095 10.847 -5.587 120 HE2 LYS 16 HE2 LYS 16 176.253 12.997 -5.444 121 HE3 LYS 16 HE1 LYS 16 176.312 13.086 -7.204 122 HZ1 LYS 16 HZ1 LYS 16 173.895 13.121 -7.245 123 HZ2 LYS 16 HZ2 LYS 16 174.494 14.399 -6.313 124 HZ3 LYS 16 HZ3 LYS 16 173.840 13.035 -5.556 125 H CYS 17 HN CYS 17 178.838 6.963 -4.340 126 HA CYS 17 HA CYS 17 178.285 4.403 -5.651 127 HB2 CYS 17 HB2 CYS 17 180.454 4.630 -4.525 128 HB3 CYS 17 HB1 CYS 17 179.638 5.002 -3.010 129 HG CYS 17 HG CYS 17 178.263 2.342 -3.342 130 H THR 18 HN THR 18 176.275 3.677 -5.453 131 HA THR 18 HA THR 18 174.672 4.409 -3.130 132 HB THR 18 HB THR 18 173.853 2.862 -5.599 133 HG1 THR 18 HG1 THR 18 173.290 4.774 -6.453 134 HG21 THR 18 HG21 THR 18 171.566 3.429 -4.892 135 HG22 THR 18 HG22 THR 18 172.209 4.174 -3.429 136 HG23 THR 18 HG23 THR 18 172.394 2.440 -3.690 137 H ALA 19 HN ALA 19 173.543 2.846 -1.871 138 HA ALA 19 HA ALA 19 174.476 0.080 -2.062 139 HB1 ALA 19 HB1 ALA 19 174.643 1.673 0.493 140 HB2 ALA 19 HB2 ALA 19 176.016 1.231 -0.521 141 HB3 ALA 19 HB3 ALA 19 175.072 -0.024 0.281 142 H TYR 20 HN TYR 20 173.207 -1.409 -0.731 143 HA TYR 20 HA TYR 20 170.496 -0.381 -0.196 144 HB2 TYR 20 HB2 TYR 20 171.298 -3.066 -1.337 145 HB3 TYR 20 HB1 TYR 20 169.659 -2.633 -0.862 146 HD1 TYR 20 HD1 TYR 20 172.365 -1.939 -3.270 147 HD2 TYR 20 HD2 TYR 20 168.285 -1.276 -2.265 148 HE1 TYR 20 HE1 TYR 20 171.972 -1.002 -5.510 149 HE2 TYR 20 HE2 TYR 20 167.880 -0.339 -4.502 150 HH TYR 20 HH TYR 20 170.091 -0.651 -7.055 151 H LEU 21 HN LEU 21 170.109 -0.387 1.908 152 HA LEU 21 HA LEU 21 171.565 -2.107 3.708 153 HB2 LEU 21 HB2 LEU 21 169.315 -0.165 4.243 154 HB3 LEU 21 HB1 LEU 21 170.283 -0.961 5.469 155 HG LEU 21 HG LEU 21 171.282 1.045 3.447 156 HD11 LEU 21 HD11 LEU 21 169.932 2.047 5.207 157 HD12 LEU 21 HD12 LEU 21 171.632 2.471 5.401 158 HD13 LEU 21 HD13 LEU 21 170.909 1.237 6.432 159 HD21 LEU 21 HD21 LEU 21 172.743 -0.378 5.670 160 HD22 LEU 21 HD22 LEU 21 173.400 0.914 4.664 161 HD23 LEU 21 HD23 LEU 21 172.975 -0.638 3.941 162 H ASP 22 HN ASP 22 170.566 -3.547 5.231 163 HA ASP 22 HA ASP 22 168.299 -4.972 4.056 164 HB2 ASP 22 HB2 ASP 22 170.356 -6.240 4.606 165 HB3 ASP 22 HB1 ASP 22 170.152 -5.806 6.301 166 H TYR 23 HN TYR 23 168.223 -2.425 5.746 167 HA TYR 23 HA TYR 23 166.879 -3.212 8.165 168 HB2 TYR 23 HB2 TYR 23 168.212 -1.162 8.103 169 HB3 TYR 23 HB1 TYR 23 167.169 -0.503 6.848 170 HD1 TYR 23 HD1 TYR 23 167.403 -1.367 10.414 171 HD2 TYR 23 HD2 TYR 23 165.017 0.426 7.383 172 HE1 TYR 23 HE1 TYR 23 165.958 -0.383 12.143 173 HE2 TYR 23 HE2 TYR 23 163.565 1.415 9.102 174 HH TYR 23 HH TYR 23 162.943 1.007 11.445 175 H GLY 24 HN GLY 24 164.716 -3.237 8.581 176 HA2 GLY 24 HA2 GLY 24 162.459 -3.304 8.172 177 HA3 GLY 24 HA1 GLY 24 162.729 -2.038 6.985 178 H ASP 25 HN ASP 25 161.630 -2.673 5.233 179 HA ASP 25 HA ASP 25 161.577 -5.455 4.432 180 HB2 ASP 25 HB2 ASP 25 160.381 -3.001 3.124 181 HB3 ASP 25 HB1 ASP 25 160.089 -4.663 2.624 182 H GLY 26 HN GLY 26 163.166 -2.487 3.489 183 HA2 GLY 26 HA2 GLY 26 165.400 -2.960 2.432 184 HA3 GLY 26 HA1 GLY 26 164.499 -3.951 1.295 185 H LYS 27 HN LYS 27 163.653 -0.767 2.597 186 HA LYS 27 HA LYS 27 163.704 0.264 -0.163 187 HB2 LYS 27 HB2 LYS 27 161.990 1.148 2.166 188 HB3 LYS 27 HB1 LYS 27 161.979 1.873 0.564 189 HG2 LYS 27 HG2 LYS 27 161.204 -0.239 -0.390 190 HG3 LYS 27 HG1 LYS 27 161.216 -0.965 1.219 191 HD2 LYS 27 HD2 LYS 27 159.549 0.665 1.966 192 HD3 LYS 27 HD1 LYS 27 159.540 1.393 0.358 193 HE2 LYS 27 HE2 LYS 27 158.751 -0.719 -0.591 194 HE3 LYS 27 HE1 LYS 27 158.761 -1.446 1.015 195 HZ1 LYS 27 HZ1 LYS 27 157.086 0.856 0.170 196 HZ2 LYS 27 HZ2 LYS 27 157.095 0.161 1.712 197 HZ3 LYS 27 HZ3 LYS 27 156.545 -0.732 0.384 198 H TRP 28 HN TRP 28 165.802 0.219 2.072 199 HA TRP 28 HA TRP 28 166.302 3.122 2.158 200 HB2 TRP 28 HB2 TRP 28 167.287 0.972 4.047 201 HB3 TRP 28 HB1 TRP 28 167.687 2.684 4.154 202 HD1 TRP 28 HD1 TRP 28 164.798 0.242 4.745 203 HE1 TRP 28 HE1 TRP 28 163.019 1.410 6.192 204 HE3 TRP 28 HE3 TRP 28 166.748 4.969 4.772 205 HZ2 TRP 28 HZ2 TRP 28 162.510 3.993 7.210 206 HZ3 TRP 28 HZ3 TRP 28 165.553 6.730 6.007 207 HH2 TRP 28 HH2 TRP 28 163.478 6.251 7.199 208 H VAL 29 HN VAL 29 168.121 3.899 1.258 209 HA VAL 29 HA VAL 29 170.278 2.038 0.571 210 HB VAL 29 HB VAL 29 170.477 3.002 -1.689 211 HG11 VAL 29 HG11 VAL 29 169.282 0.905 -1.385 212 HG12 VAL 29 HG12 VAL 29 168.552 1.853 -2.681 213 HG13 VAL 29 HG13 VAL 29 167.781 1.785 -1.097 214 HG21 VAL 29 HG21 VAL 29 167.859 4.354 -1.035 215 HG22 VAL 29 HG22 VAL 29 168.629 4.318 -2.622 216 HG23 VAL 29 HG23 VAL 29 169.412 5.153 -1.281 217 H ALA 30 HN ALA 30 172.290 2.884 0.730 218 HA ALA 30 HA ALA 30 172.484 5.640 1.697 219 HB1 ALA 30 HB1 ALA 30 174.679 5.014 2.535 220 HB2 ALA 30 HB2 ALA 30 174.541 3.435 1.762 221 HB3 ALA 30 HB3 ALA 30 173.459 3.866 3.086 222 H GLN 31 HN GLN 31 174.268 6.992 0.958 223 HA GLN 31 HA GLN 31 175.524 6.315 -1.558 224 HB2 GLN 31 HB2 GLN 31 173.513 8.558 -1.348 225 HB3 GLN 31 HB1 GLN 31 174.664 8.402 -2.667 226 HG2 GLN 31 HG2 GLN 31 173.688 6.168 -3.166 227 HG3 GLN 31 HG1 GLN 31 172.454 6.494 -1.950 228 HE21 GLN 31 HE21 GLN 31 173.681 7.325 -5.092 229 HE22 GLN 31 HE22 GLN 31 172.298 8.218 -5.621 230 H TRP 32 HN TRP 32 177.421 7.360 -1.855 231 HA TRP 32 HA TRP 32 178.018 9.801 -0.414 232 HB2 TRP 32 HB2 TRP 32 180.032 8.863 0.673 233 HB3 TRP 32 HB1 TRP 32 178.548 8.126 1.271 234 HD1 TRP 32 HD1 TRP 32 181.768 7.310 -0.545 235 HE1 TRP 32 HE1 TRP 32 181.939 4.762 -0.862 236 HE3 TRP 32 HE3 TRP 32 177.049 5.991 0.915 237 HZ2 TRP 32 HZ2 TRP 32 180.292 2.493 -0.537 238 HZ3 TRP 32 HZ3 TRP 32 176.427 3.611 0.883 239 HH2 TRP 32 HH2 TRP 32 178.015 1.899 0.171 240 H ASP 33 HN ASP 33 179.419 11.051 -1.513 241 HA ASP 33 HA ASP 33 180.139 10.435 -4.144 242 HB2 ASP 33 HB2 ASP 33 181.330 12.514 -2.295 243 HB3 ASP 33 HB1 ASP 33 181.530 12.474 -4.045 244 H THR 34 HN THR 34 182.131 9.960 -5.111 245 HA THR 34 HA THR 34 184.375 9.227 -3.410 246 HB THR 34 HB THR 34 184.600 6.985 -4.383 247 HG1 THR 34 HG1 THR 34 183.366 6.386 -5.995 248 HG21 THR 34 HG21 THR 34 181.907 7.443 -3.096 249 HG22 THR 34 HG22 THR 34 183.436 7.223 -2.246 250 HG23 THR 34 HG23 THR 34 182.755 5.900 -3.192 251 H ALA 35 HN ALA 35 186.106 8.134 -5.019 252 HA ALA 35 HA ALA 35 186.238 9.886 -7.386 253 HB1 ALA 35 HB1 ALA 35 188.659 9.967 -7.101 254 HB2 ALA 35 HB2 ALA 35 188.533 8.950 -5.666 255 HB3 ALA 35 HB3 ALA 35 187.834 10.569 -5.663 256 H VAL 36 HN VAL 36 186.101 8.779 -9.214 257 HA VAL 36 HA VAL 36 187.205 6.045 -9.296 258 HB VAL 36 HB VAL 36 184.948 7.124 -10.989 259 HG11 VAL 36 HG11 VAL 36 186.030 4.329 -10.647 260 HG12 VAL 36 HG12 VAL 36 186.217 5.353 -12.070 261 HG13 VAL 36 HG13 VAL 36 184.618 4.773 -11.605 262 HG21 VAL 36 HG21 VAL 36 184.847 5.313 -8.578 263 HG22 VAL 36 HG22 VAL 36 183.482 5.699 -9.625 264 HG23 VAL 36 HG23 VAL 36 184.245 6.968 -8.667 265 H PHE 37 HN PHE 37 188.485 5.459 -11.007 266 HA PHE 37 HA PHE 37 188.830 7.188 -13.287 267 HB2 PHE 37 HB2 PHE 37 191.238 7.572 -12.920 268 HB3 PHE 37 HB1 PHE 37 190.257 8.333 -11.673 269 HD1 PHE 37 HD1 PHE 37 190.212 7.426 -9.401 270 HD2 PHE 37 HD2 PHE 37 192.731 5.776 -12.409 271 HE1 PHE 37 HE1 PHE 37 191.519 6.269 -7.668 272 HE2 PHE 37 HE2 PHE 37 194.041 4.616 -10.681 273 HZ PHE 37 HZ PHE 37 193.436 4.861 -8.307 274 H HIS 38 HN HIS 38 190.199 6.254 -14.925 275 HA HIS 38 HA HIS 38 189.961 3.407 -15.028 276 HB2 HIS 38 HB2 HIS 38 189.680 4.798 -17.033 277 HB3 HIS 38 HB1 HIS 38 191.360 5.315 -16.916 278 HD1 HIS 38 HD1 HIS 38 193.092 3.835 -17.977 279 HD2 HIS 38 HD2 HIS 38 189.364 2.014 -17.730 280 HE1 HIS 38 HE1 HIS 38 193.292 1.709 -19.307 281 HE2 HIS 38 HE2 HIS 38 191.025 0.623 -19.144 282 H THR 39 HN THR 39 191.647 1.877 -15.255 283 HA THR 39 HA THR 39 194.318 2.756 -14.415 284 HB THR 39 HB THR 39 194.510 0.853 -12.862 285 HG1 THR 39 HG1 THR 39 192.816 -0.421 -13.874 286 HG21 THR 39 HG21 THR 39 192.160 2.657 -12.272 287 HG22 THR 39 HG22 THR 39 193.858 3.037 -11.982 288 HG23 THR 39 HG23 THR 39 193.078 1.739 -11.078 289 H THR 40 HN THR 40 195.783 0.624 -14.424 290 HA THR 40 HA THR 40 195.132 -1.003 -16.775 291 HB THR 40 HB THR 40 197.401 -0.710 -17.687 292 HG1 THR 40 HG1 THR 40 197.626 1.153 -15.548 293 HG21 THR 40 HG21 THR 40 197.116 1.569 -18.550 294 HG22 THR 40 HG22 THR 40 195.911 1.889 -17.303 295 HG23 THR 40 HG23 THR 40 195.589 0.685 -18.550 296 H1 ALA 1 HT1 ALA 1 200.937 -3.402 1.252 297 H2 ALA 1 HT2 ALA 1 199.852 -3.208 2.535 298 H3 ALA 1 HT3 ALA 1 199.514 -2.513 1.030 299 HA ALA 1 HA ALA 1 199.315 -4.680 0.021 300 HB1 ALA 1 HB1 ALA 1 199.767 -5.725 2.814 301 HB2 ALA 1 HB2 ALA 1 200.911 -5.832 1.476 302 HB3 ALA 1 HB3 ALA 1 199.373 -6.690 1.392 303 HA PRO 2 HA PRO 2 195.197 -3.192 1.375 304 HB2 PRO 2 HB2 PRO 2 194.549 -4.692 -1.116 305 HB3 PRO 2 HB1 PRO 2 194.036 -3.077 -0.608 306 HG2 PRO 2 HG2 PRO 2 195.887 -3.364 -2.486 307 HG3 PRO 2 HG1 PRO 2 196.007 -2.075 -1.271 308 HD2 PRO 2 HD2 PRO 2 197.518 -4.634 -1.459 309 HD3 PRO 2 HD1 PRO 2 198.055 -3.040 -0.894 310 H VAL 3 HN VAL 3 193.150 -4.354 1.766 311 HA VAL 3 HA VAL 3 193.420 -7.260 1.993 312 HB VAL 3 HB VAL 3 192.523 -7.230 4.293 313 HG11 VAL 3 HG11 VAL 3 195.092 -5.688 3.936 314 HG12 VAL 3 HG12 VAL 3 194.921 -7.444 3.941 315 HG13 VAL 3 HG13 VAL 3 194.591 -6.521 5.407 316 HG21 VAL 3 HG21 VAL 3 192.965 -4.250 4.109 317 HG22 VAL 3 HG22 VAL 3 192.559 -5.137 5.578 318 HG23 VAL 3 HG23 VAL 3 191.408 -5.069 4.244 319 HA PRO 4 HA PRO 4 189.218 -7.056 0.596 320 HB2 PRO 4 HB2 PRO 4 188.463 -9.601 1.042 321 HB3 PRO 4 HB1 PRO 4 189.628 -9.181 -0.223 322 HG2 PRO 4 HG2 PRO 4 190.133 -10.285 2.502 323 HG3 PRO 4 HG1 PRO 4 190.897 -10.708 0.956 324 HD2 PRO 4 HD2 PRO 4 192.044 -9.047 2.793 325 HD3 PRO 4 HD1 PRO 4 192.366 -8.962 1.050 326 H VAL 5 HN VAL 5 187.071 -7.032 1.352 327 HA VAL 5 HA VAL 5 186.845 -6.779 4.250 328 HB VAL 5 HB VAL 5 184.823 -6.084 2.115 329 HG11 VAL 5 HG11 VAL 5 184.929 -5.355 5.040 330 HG12 VAL 5 HG12 VAL 5 183.813 -6.500 4.298 331 HG13 VAL 5 HG13 VAL 5 183.730 -4.789 3.877 332 HG21 VAL 5 HG21 VAL 5 185.505 -3.759 2.496 333 HG22 VAL 5 HG22 VAL 5 186.837 -4.739 1.882 334 HG23 VAL 5 HG23 VAL 5 186.769 -4.315 3.592 335 H THR 6 HN THR 6 185.882 -8.248 5.497 336 HA THR 6 HA THR 6 184.604 -10.546 4.226 337 HB THR 6 HB THR 6 184.712 -11.598 6.451 338 HG1 THR 6 HG1 THR 6 186.016 -9.192 7.255 339 HG21 THR 6 HG21 THR 6 186.620 -11.830 4.940 340 HG22 THR 6 HG22 THR 6 187.154 -11.762 6.620 341 HG23 THR 6 HG23 THR 6 187.321 -10.345 5.584 342 H LYS 7 HN LYS 7 183.903 -7.958 6.512 343 HA LYS 7 HA LYS 7 181.041 -8.530 6.182 344 HB2 LYS 7 HB2 LYS 7 181.724 -9.399 8.370 345 HB3 LYS 7 HB1 LYS 7 182.411 -7.835 8.788 346 HG2 LYS 7 HG2 LYS 7 180.186 -6.827 8.671 347 HG3 LYS 7 HG1 LYS 7 179.500 -8.400 8.260 348 HD2 LYS 7 HD2 LYS 7 180.965 -7.728 10.812 349 HD3 LYS 7 HD1 LYS 7 179.216 -7.880 10.640 350 HE2 LYS 7 HE2 LYS 7 179.501 -10.225 9.965 351 HE3 LYS 7 HE1 LYS 7 181.244 -10.064 10.174 352 HZ1 LYS 7 HZ1 LYS 7 179.210 -9.747 12.316 353 HZ2 LYS 7 HZ2 LYS 7 180.883 -9.595 12.517 354 HZ3 LYS 7 HZ3 LYS 7 180.215 -11.091 12.100 355 H LEU 8 HN LEU 8 179.764 -6.764 5.882 356 HA LEU 8 HA LEU 8 180.918 -4.110 6.340 357 HB2 LEU 8 HB2 LEU 8 181.211 -4.984 3.926 358 HB3 LEU 8 HB1 LEU 8 179.484 -4.726 3.775 359 HG LEU 8 HG LEU 8 180.673 -2.836 2.858 360 HD11 LEU 8 HD11 LEU 8 178.547 -2.460 4.092 361 HD12 LEU 8 HD12 LEU 8 179.611 -1.055 4.045 362 HD13 LEU 8 HD13 LEU 8 179.501 -2.029 5.511 363 HD21 LEU 8 HD21 LEU 8 182.754 -3.066 4.100 364 HD22 LEU 8 HD22 LEU 8 181.937 -2.570 5.582 365 HD23 LEU 8 HD23 LEU 8 182.113 -1.430 4.248 366 H VAL 9 HN VAL 9 179.537 -3.241 7.746 367 HA VAL 9 HA VAL 9 176.649 -3.509 7.213 368 HB VAL 9 HB VAL 9 176.283 -3.145 9.634 369 HG11 VAL 9 HG11 VAL 9 178.033 -5.498 8.933 370 HG12 VAL 9 HG12 VAL 9 176.281 -5.403 8.760 371 HG13 VAL 9 HG13 VAL 9 177.011 -5.380 10.365 372 HG21 VAL 9 HG21 VAL 9 179.283 -3.413 9.816 373 HG22 VAL 9 HG22 VAL 9 178.171 -3.379 11.184 374 HG23 VAL 9 HG23 VAL 9 178.345 -1.959 10.153 375 H CYS 10 HN CYS 10 175.382 -1.655 8.286 376 HA CYS 10 HA CYS 10 176.812 0.881 8.290 377 HB2 CYS 10 HB2 CYS 10 176.181 0.576 5.939 378 HB3 CYS 10 HB1 CYS 10 174.504 0.333 6.411 379 HG CYS 10 HG CYS 10 174.263 2.963 7.464 380 H ASP 11 HN ASP 11 176.025 2.228 9.786 381 HA ASP 11 HA ASP 11 173.486 1.501 11.073 382 HB2 ASP 11 HB2 ASP 11 174.308 2.809 13.001 383 HB3 ASP 11 HB1 ASP 11 175.411 1.507 12.566 384 H GLY 12 HN GLY 12 171.797 2.641 10.404 385 HA2 GLY 12 HA2 GLY 12 172.035 5.151 9.074 386 HA3 GLY 12 HA1 GLY 12 170.537 4.375 9.562 387 H ASP 13 HN ASP 13 171.864 4.303 12.384 388 HA ASP 13 HA ASP 13 170.458 6.422 13.496 389 HB2 ASP 13 HB2 ASP 13 172.899 5.017 14.602 390 HB3 ASP 13 HB1 ASP 13 171.791 6.019 15.536 391 H THR 14 HN THR 14 173.713 6.304 12.221 392 HA THR 14 HA THR 14 173.897 9.214 12.587 393 HB THR 14 HB THR 14 176.292 9.039 13.098 394 HG1 THR 14 HG1 THR 14 175.837 6.235 13.331 395 HG21 THR 14 HG21 THR 14 174.555 7.412 14.959 396 HG22 THR 14 HG22 THR 14 174.703 9.170 14.950 397 HG23 THR 14 HG23 THR 14 176.089 8.171 15.384 398 H TYR 15 HN TYR 15 173.523 7.000 10.361 399 HA TYR 15 HA TYR 15 173.994 6.800 8.147 400 HB2 TYR 15 HB2 TYR 15 175.083 9.608 8.436 401 HB3 TYR 15 HB1 TYR 15 174.605 8.825 6.933 402 HD1 TYR 15 HD1 TYR 15 172.115 7.995 6.848 403 HD2 TYR 15 HD2 TYR 15 173.560 10.967 9.526 404 HE1 TYR 15 HE1 TYR 15 169.826 8.850 7.126 405 HE2 TYR 15 HE2 TYR 15 171.275 11.830 9.814 406 HH TYR 15 HH TYR 15 169.141 11.831 8.594 407 H LYS 16 HN LYS 16 176.103 6.244 10.266 408 HA LYS 16 HA LYS 16 178.550 6.605 8.712 409 HB2 LYS 16 HB2 LYS 16 178.088 5.568 11.512 410 HB3 LYS 16 HB1 LYS 16 179.667 5.671 10.745 411 HG2 LYS 16 HG2 LYS 16 179.394 8.102 10.539 412 HG3 LYS 16 HG1 LYS 16 177.832 7.980 11.354 413 HD2 LYS 16 HD2 LYS 16 178.914 7.113 13.349 414 HD3 LYS 16 HD1 LYS 16 180.480 7.139 12.534 415 HE2 LYS 16 HE2 LYS 16 180.324 9.570 12.315 416 HE3 LYS 16 HE1 LYS 16 178.756 9.545 13.122 417 HZ1 LYS 16 HZ1 LYS 16 179.830 8.668 15.101 418 HZ2 LYS 16 HZ2 LYS 16 180.525 10.142 14.650 419 HZ3 LYS 16 HZ3 LYS 16 181.334 8.692 14.327 420 H CYS 17 HN CYS 17 179.418 5.042 7.522 421 HA CYS 17 HA CYS 17 178.221 2.372 7.647 422 HB2 CYS 17 HB2 CYS 17 178.246 3.478 5.457 423 HB3 CYS 17 HB1 CYS 17 179.998 3.627 5.543 424 HG CYS 17 HG CYS 17 180.030 0.628 5.838 425 H THR 18 HN THR 18 179.231 0.963 8.911 426 HA THR 18 HA THR 18 182.098 1.211 9.388 427 HB THR 18 HB THR 18 180.118 -0.707 10.636 428 HG1 THR 18 HG1 THR 18 179.844 0.785 12.184 429 HG21 THR 18 HG21 THR 18 181.854 -0.989 12.357 430 HG22 THR 18 HG22 THR 18 182.935 0.048 11.427 431 HG23 THR 18 HG23 THR 18 182.420 -1.505 10.768 432 H ALA 19 HN ALA 19 183.544 -0.564 9.141 433 HA ALA 19 HA ALA 19 182.630 -2.786 7.473 434 HB1 ALA 19 HB1 ALA 19 184.989 -1.064 6.725 435 HB2 ALA 19 HB2 ALA 19 183.417 -1.033 5.930 436 HB3 ALA 19 HB3 ALA 19 184.411 -2.487 5.861 437 H TYR 20 HN TYR 20 184.213 -4.539 7.333 438 HA TYR 20 HA TYR 20 186.044 -4.565 9.643 439 HB2 TYR 20 HB2 TYR 20 184.362 -6.831 8.551 440 HB3 TYR 20 HB1 TYR 20 185.582 -7.008 9.809 441 HD1 TYR 20 HD1 TYR 20 182.299 -5.531 9.003 442 HD2 TYR 20 HD2 TYR 20 185.129 -6.373 12.065 443 HE1 TYR 20 HE1 TYR 20 180.612 -4.978 10.705 444 HE2 TYR 20 HE2 TYR 20 183.451 -5.823 13.776 445 HH TYR 20 HH TYR 20 180.153 -5.471 13.071 446 H LEU 21 HN LEU 21 188.076 -4.560 8.970 447 HA LEU 21 HA LEU 21 188.798 -5.472 6.332 448 HB2 LEU 21 HB2 LEU 21 190.524 -4.481 8.603 449 HB3 LEU 21 HB1 LEU 21 191.070 -4.763 6.962 450 HG LEU 21 HG LEU 21 189.060 -2.684 7.828 451 HD11 LEU 21 HD11 LEU 21 191.346 -2.134 8.461 452 HD12 LEU 21 HD12 LEU 21 190.786 -1.090 7.154 453 HD13 LEU 21 HD13 LEU 21 191.884 -2.425 6.807 454 HD21 LEU 21 HD21 LEU 21 190.186 -3.288 5.096 455 HD22 LEU 21 HD22 LEU 21 189.148 -1.923 5.506 456 HD23 LEU 21 HD23 LEU 21 188.526 -3.569 5.620 457 H ASP 22 HN ASP 22 190.432 -7.065 5.903 458 HA ASP 22 HA ASP 22 190.270 -9.318 7.760 459 HB2 ASP 22 HB2 ASP 22 189.667 -9.679 5.384 460 HB3 ASP 22 HB1 ASP 22 191.304 -9.230 4.916 461 H TYR 23 HN TYR 23 192.088 -6.868 7.960 462 HA TYR 23 HA TYR 23 194.745 -7.921 7.629 463 HB2 TYR 23 HB2 TYR 23 194.316 -5.531 7.329 464 HB3 TYR 23 HB1 TYR 23 193.763 -5.405 8.995 465 HD1 TYR 23 HD1 TYR 23 196.700 -5.854 6.829 466 HD2 TYR 23 HD2 TYR 23 195.327 -5.313 10.819 467 HE1 TYR 23 HE1 TYR 23 198.999 -5.358 7.546 468 HE2 TYR 23 HE2 TYR 23 197.622 -4.815 11.547 469 HH TYR 23 HH TYR 23 199.925 -5.253 10.808 470 H GLY 24 HN GLY 24 196.099 -8.722 9.171 471 HA2 GLY 24 HA2 GLY 24 196.764 -9.660 11.158 472 HA3 GLY 24 HA1 GLY 24 195.739 -8.475 11.953 473 H ASP 25 HN ASP 25 194.625 -9.603 13.425 474 HA ASP 25 HA ASP 25 193.623 -12.253 12.830 475 HB2 ASP 25 HB2 ASP 25 193.302 -10.529 15.297 476 HB3 ASP 25 HB1 ASP 25 192.803 -12.212 15.160 477 H GLY 26 HN GLY 26 192.406 -8.986 13.068 478 HA2 GLY 26 HA2 GLY 26 190.397 -8.662 11.588 479 HA3 GLY 26 HA1 GLY 26 189.694 -10.000 12.483 480 H LYS 27 HN LYS 27 191.595 -7.277 13.717 481 HA LYS 27 HA LYS 27 189.258 -6.510 15.338 482 HB2 LYS 27 HB2 LYS 27 192.197 -6.162 15.955 483 HB3 LYS 27 HB1 LYS 27 190.874 -5.615 16.976 484 HG2 LYS 27 HG2 LYS 27 190.146 -7.927 17.277 485 HG3 LYS 27 HG1 LYS 27 191.474 -8.476 16.253 486 HD2 LYS 27 HD2 LYS 27 193.084 -7.537 17.841 487 HD3 LYS 27 HD1 LYS 27 191.755 -6.985 18.863 488 HE2 LYS 27 HE2 LYS 27 191.035 -9.305 19.173 489 HE3 LYS 27 HE1 LYS 27 192.363 -9.854 18.151 490 HZ1 LYS 27 HZ1 LYS 27 192.650 -8.415 20.734 491 HZ2 LYS 27 HZ2 LYS 27 193.925 -8.942 19.755 492 HZ3 LYS 27 HZ3 LYS 27 192.903 -10.071 20.493 493 H TRP 28 HN TRP 28 190.262 -5.601 12.587 494 HA TRP 28 HA TRP 28 190.443 -2.724 13.202 495 HB2 TRP 28 HB2 TRP 28 191.410 -4.204 10.744 496 HB3 TRP 28 HB1 TRP 28 191.518 -2.463 10.994 497 HD1 TRP 28 HD1 TRP 28 193.080 -5.757 12.159 498 HE1 TRP 28 HE1 TRP 28 195.306 -5.238 13.343 499 HE3 TRP 28 HE3 TRP 28 192.757 -0.657 12.294 500 HZ2 TRP 28 HZ2 TRP 28 196.735 -2.966 14.219 501 HZ3 TRP 28 HZ3 TRP 28 194.594 0.614 13.321 502 HH2 TRP 28 HH2 TRP 28 196.541 -0.518 14.264 503 H VAL 29 HN VAL 29 188.907 -1.391 12.437 504 HA VAL 29 HA VAL 29 187.099 -2.354 10.341 505 HB VAL 29 HB VAL 29 185.128 -1.555 11.585 506 HG11 VAL 29 HG11 VAL 29 185.700 -3.918 11.644 507 HG12 VAL 29 HG12 VAL 29 185.001 -3.411 13.182 508 HG13 VAL 29 HG13 VAL 29 186.743 -3.646 13.040 509 HG21 VAL 29 HG21 VAL 29 187.057 -1.238 13.882 510 HG22 VAL 29 HG22 VAL 29 185.302 -1.100 13.989 511 HG23 VAL 29 HG23 VAL 29 186.222 0.065 13.037 512 H ALA 30 HN ALA 30 186.416 -0.808 8.952 513 HA ALA 30 HA ALA 30 187.497 1.884 9.348 514 HB1 ALA 30 HB1 ALA 30 187.158 2.189 6.960 515 HB2 ALA 30 HB2 ALA 30 186.358 0.622 6.856 516 HB3 ALA 30 HB3 ALA 30 188.070 0.712 7.268 517 H GLN 31 HN GLN 31 186.184 3.747 8.745 518 HA GLN 31 HA GLN 31 183.313 3.406 8.660 519 HB2 GLN 31 HB2 GLN 31 184.678 4.742 11.000 520 HB3 GLN 31 HB1 GLN 31 182.969 4.932 10.629 521 HG2 GLN 31 HG2 GLN 31 182.719 2.465 10.837 522 HG3 GLN 31 HG1 GLN 31 184.394 2.394 11.384 523 HE21 GLN 31 HE21 GLN 31 181.159 3.389 12.163 524 HE22 GLN 31 HE22 GLN 31 181.428 3.658 13.848 525 H TRP 32 HN TRP 32 182.303 5.060 7.649 526 HA TRP 32 HA TRP 32 183.580 7.647 7.384 527 HB2 TRP 32 HB2 TRP 32 183.510 7.613 4.912 528 HB3 TRP 32 HB1 TRP 32 184.631 6.421 5.560 529 HD1 TRP 32 HD1 TRP 32 181.461 6.739 3.515 530 HE1 TRP 32 HE1 TRP 32 180.810 4.424 2.597 531 HE3 TRP 32 HE3 TRP 32 184.757 3.861 6.159 532 HZ2 TRP 32 HZ2 TRP 32 181.589 1.733 2.949 533 HZ3 TRP 32 HZ3 TRP 32 184.739 1.425 5.811 534 HH2 TRP 32 HH2 TRP 32 183.187 0.385 4.238 535 H ASP 33 HN ASP 33 182.115 9.245 7.222 536 HA ASP 33 HA ASP 33 179.395 8.752 7.644 537 HB2 ASP 33 HB2 ASP 33 180.719 11.256 6.578 538 HB3 ASP 33 HB1 ASP 33 179.081 11.165 7.218 539 H THR 34 HN THR 34 177.576 8.988 6.316 540 HA THR 34 HA THR 34 177.963 9.276 3.447 541 HB THR 34 HB THR 34 176.744 7.216 2.903 542 HG1 THR 34 HG1 THR 34 175.819 6.082 4.433 543 HG21 THR 34 HG21 THR 34 179.164 6.727 4.642 544 HG22 THR 34 HG22 THR 34 179.189 7.158 2.932 545 HG23 THR 34 HG23 THR 34 178.514 5.610 3.441 546 H ALA 35 HN ALA 35 175.627 8.795 2.403 547 HA ALA 35 HA ALA 35 173.681 10.290 4.039 548 HB1 ALA 35 HB1 ALA 35 172.833 11.293 1.984 549 HB2 ALA 35 HB2 ALA 35 174.038 10.411 1.045 550 HB3 ALA 35 HB3 ALA 35 174.548 11.646 2.197 551 H VAL 36 HN VAL 36 172.004 9.081 4.599 552 HA VAL 36 HA VAL 36 171.113 6.962 2.752 553 HB VAL 36 HB VAL 36 170.778 6.988 5.755 554 HG11 VAL 36 HG11 VAL 36 170.262 4.835 3.707 555 HG12 VAL 36 HG12 VAL 36 169.039 5.747 4.592 556 HG13 VAL 36 HG13 VAL 36 170.115 4.647 5.454 557 HG21 VAL 36 HG21 VAL 36 172.740 5.454 4.053 558 HG22 VAL 36 HG22 VAL 36 172.486 5.223 5.782 559 HG23 VAL 36 HG23 VAL 36 173.128 6.752 5.183 560 H PHE 37 HN PHE 37 168.950 6.772 2.306 561 HA PHE 37 HA PHE 37 166.982 8.332 3.720 562 HB2 PHE 37 HB2 PHE 37 166.246 9.616 1.746 563 HB3 PHE 37 HB1 PHE 37 167.884 10.043 2.233 564 HD1 PHE 37 HD1 PHE 37 169.802 9.356 0.879 565 HD2 PHE 37 HD2 PHE 37 165.806 8.552 -0.348 566 HE1 PHE 37 HE1 PHE 37 170.597 8.904 -1.404 567 HE2 PHE 37 HE2 PHE 37 166.595 8.097 -2.634 568 HZ PHE 37 HZ PHE 37 168.993 8.273 -3.164 569 H HIS 38 HN HIS 38 164.803 7.861 3.039 570 HA HIS 38 HA HIS 38 164.494 5.133 2.244 571 HB2 HIS 38 HB2 HIS 38 163.014 6.166 3.913 572 HB3 HIS 38 HB1 HIS 38 162.408 7.280 2.691 573 HD1 HIS 38 HD1 HIS 38 160.509 6.482 1.251 574 HD2 HIS 38 HD2 HIS 38 162.225 3.422 3.479 575 HE1 HIS 38 HE1 HIS 38 159.001 4.495 0.937 576 HE2 HIS 38 HE2 HIS 38 160.058 2.654 2.293 577 H THR 39 HN THR 39 163.345 4.333 0.434 578 HA THR 39 HA THR 39 162.964 6.208 -1.792 579 HB THR 39 HB THR 39 164.025 4.635 -3.362 580 HG1 THR 39 HG1 THR 39 163.763 2.747 -1.988 581 HG21 THR 39 HG21 THR 39 165.829 5.467 -1.087 582 HG22 THR 39 HG22 THR 39 165.352 6.475 -2.453 583 HG23 THR 39 HG23 THR 39 166.355 5.049 -2.717 584 H THR 40 HN THR 40 162.039 4.784 -3.744 585 HA THR 40 HA THR 40 160.078 2.864 -2.714 586 HB THR 40 HB THR 40 158.267 3.916 -4.012 587 HG1 THR 40 HG1 THR 40 160.265 5.881 -4.513 588 HG21 THR 40 HG21 THR 40 157.900 5.853 -2.550 589 HG22 THR 40 HG22 THR 40 159.588 5.790 -2.044 590 HG23 THR 40 HG23 THR 40 158.497 4.464 -1.641 591 H1 ALA 1 HT1 ALA 1 173.034 4.148 -16.677 592 H2 ALA 1 HT2 ALA 1 174.684 4.015 -16.329 593 H3 ALA 1 HT3 ALA 1 173.591 4.421 -15.103 594 HA ALA 1 HA ALA 1 172.545 2.268 -15.260 595 HB1 ALA 1 HB1 ALA 1 174.677 1.678 -17.306 596 HB2 ALA 1 HB2 ALA 1 172.962 1.909 -17.644 597 HB3 ALA 1 HB3 ALA 1 173.493 0.534 -16.676 598 HA PRO 2 HA PRO 2 175.794 2.202 -12.028 599 HB2 PRO 2 HB2 PRO 2 173.723 0.389 -10.891 600 HB3 PRO 2 HB1 PRO 2 174.591 1.728 -10.126 601 HG2 PRO 2 HG2 PRO 2 172.055 2.017 -10.847 602 HG3 PRO 2 HG1 PRO 2 173.220 3.342 -11.042 603 HD2 PRO 2 HD2 PRO 2 172.068 1.529 -13.104 604 HD3 PRO 2 HD1 PRO 2 172.504 3.246 -13.220 605 H VAL 3 HN VAL 3 176.942 0.390 -10.984 606 HA VAL 3 HA VAL 3 176.683 -2.177 -12.365 607 HB VAL 3 HB VAL 3 179.125 -2.316 -12.704 608 HG11 VAL 3 HG11 VAL 3 177.811 0.045 -14.047 609 HG12 VAL 3 HG12 VAL 3 177.692 -1.642 -14.551 610 HG13 VAL 3 HG13 VAL 3 179.243 -0.805 -14.631 611 HG21 VAL 3 HG21 VAL 3 179.105 0.589 -11.890 612 HG22 VAL 3 HG22 VAL 3 180.483 -0.274 -12.570 613 HG23 VAL 3 HG23 VAL 3 179.842 -0.740 -10.995 614 HA PRO 4 HA PRO 4 177.400 -3.666 -8.251 615 HB2 PRO 4 HB2 PRO 4 177.846 -6.268 -8.776 616 HB3 PRO 4 HB1 PRO 4 176.246 -5.536 -8.971 617 HG2 PRO 4 HG2 PRO 4 178.289 -6.166 -11.052 618 HG3 PRO 4 HG1 PRO 4 176.529 -6.386 -11.101 619 HD2 PRO 4 HD2 PRO 4 177.813 -4.286 -12.278 620 HD3 PRO 4 HD1 PRO 4 176.139 -4.215 -11.694 621 H VAL 5 HN VAL 5 179.053 -4.392 -6.863 622 HA VAL 5 HA VAL 5 181.741 -4.029 -7.941 623 HB VAL 5 HB VAL 5 180.864 -4.302 -5.061 624 HG11 VAL 5 HG11 VAL 5 183.478 -3.372 -6.246 625 HG12 VAL 5 HG12 VAL 5 183.202 -4.903 -5.416 626 HG13 VAL 5 HG13 VAL 5 183.067 -3.385 -4.531 627 HG21 VAL 5 HG21 VAL 5 181.155 -1.869 -4.943 628 HG22 VAL 5 HG22 VAL 5 179.891 -2.322 -6.087 629 HG23 VAL 5 HG23 VAL 5 181.478 -1.829 -6.677 630 H THR 6 HN THR 6 183.110 -5.656 -8.280 631 HA THR 6 HA THR 6 182.310 -8.351 -7.494 632 HB THR 6 HB THR 6 184.100 -9.120 -9.001 633 HG1 THR 6 HG1 THR 6 184.491 -6.348 -9.552 634 HG21 THR 6 HG21 THR 6 181.869 -8.731 -9.919 635 HG22 THR 6 HG22 THR 6 183.113 -8.345 -11.109 636 HG23 THR 6 HG23 THR 6 182.287 -7.048 -10.244 637 H LYS 7 HN LYS 7 184.945 -6.055 -7.052 638 HA LYS 7 HA LYS 7 185.899 -7.680 -4.799 639 HB2 LYS 7 HB2 LYS 7 187.414 -8.064 -6.686 640 HB3 LYS 7 HB1 LYS 7 187.648 -6.331 -6.866 641 HG2 LYS 7 HG2 LYS 7 188.680 -6.241 -4.653 642 HG3 LYS 7 HG1 LYS 7 188.452 -7.983 -4.479 643 HD2 LYS 7 HD2 LYS 7 190.107 -6.624 -6.607 644 HD3 LYS 7 HD1 LYS 7 190.738 -7.432 -5.171 645 HE2 LYS 7 HE2 LYS 7 189.744 -9.543 -5.939 646 HE3 LYS 7 HE1 LYS 7 189.148 -8.727 -7.383 647 HZ1 LYS 7 HZ1 LYS 7 192.004 -9.036 -6.626 648 HZ2 LYS 7 HZ2 LYS 7 191.433 -8.255 -8.014 649 HZ3 LYS 7 HZ3 LYS 7 191.199 -9.919 -7.825 650 H LEU 8 HN LEU 8 186.422 -6.546 -2.987 651 HA LEU 8 HA LEU 8 186.604 -3.627 -3.165 652 HB2 LEU 8 HB2 LEU 8 184.241 -4.504 -2.594 653 HB3 LEU 8 HB1 LEU 8 184.928 -4.923 -1.037 654 HG LEU 8 HG LEU 8 183.793 -2.798 -0.881 655 HD11 LEU 8 HD11 LEU 8 185.899 -3.156 0.394 656 HD12 LEU 8 HD12 LEU 8 185.531 -1.463 0.070 657 HD13 LEU 8 HD13 LEU 8 186.761 -2.296 -0.879 658 HD21 LEU 8 HD21 LEU 8 183.908 -2.140 -3.221 659 HD22 LEU 8 HD22 LEU 8 185.646 -1.877 -3.074 660 HD23 LEU 8 HD23 LEU 8 184.522 -0.856 -2.178 661 H VAL 9 HN VAL 9 188.576 -3.237 -2.392 662 HA VAL 9 HA VAL 9 189.396 -4.606 0.089 663 HB VAL 9 HB VAL 9 191.741 -4.228 -0.614 664 HG11 VAL 9 HG11 VAL 9 190.051 -5.800 -2.553 665 HG12 VAL 9 HG12 VAL 9 190.712 -6.381 -1.026 666 HG13 VAL 9 HG13 VAL 9 191.795 -5.968 -2.355 667 HG21 VAL 9 HG21 VAL 9 190.496 -3.339 -3.215 668 HG22 VAL 9 HG22 VAL 9 192.216 -3.623 -2.944 669 HG23 VAL 9 HG23 VAL 9 191.391 -2.321 -2.087 670 H CYS 10 HN CYS 10 191.137 -3.288 1.282 671 HA CYS 10 HA CYS 10 190.778 -0.409 1.051 672 HB2 CYS 10 HB2 CYS 10 188.959 -1.099 2.545 673 HB3 CYS 10 HB1 CYS 10 190.115 -1.918 3.589 674 HG CYS 10 HG CYS 10 191.457 0.501 4.250 675 H ASP 11 HN ASP 11 192.613 0.652 1.478 676 HA ASP 11 HA ASP 11 194.825 -0.876 2.660 677 HB2 ASP 11 HB2 ASP 11 196.300 0.783 1.575 678 HB3 ASP 11 HB1 ASP 11 195.261 -0.039 0.414 679 H GLY 12 HN GLY 12 195.141 -0.504 4.750 680 HA2 GLY 12 HA2 GLY 12 194.148 1.808 6.092 681 HA3 GLY 12 HA1 GLY 12 195.175 0.564 6.788 682 H ASP 13 HN ASP 13 197.046 1.204 4.376 683 HA ASP 13 HA ASP 13 198.915 2.717 5.763 684 HB2 ASP 13 HB2 ASP 13 198.610 2.415 2.767 685 HB3 ASP 13 HB1 ASP 13 200.056 2.995 3.589 686 H THR 14 HN THR 14 196.286 3.735 3.690 687 HA THR 14 HA THR 14 196.861 6.519 4.430 688 HB THR 14 HB THR 14 196.195 7.292 2.197 689 HG1 THR 14 HG1 THR 14 196.285 4.547 1.435 690 HG21 THR 14 HG21 THR 14 198.442 5.275 2.137 691 HG22 THR 14 HG22 THR 14 198.570 6.954 2.662 692 HG23 THR 14 HG23 THR 14 198.202 6.581 0.977 693 H TYR 15 HN TYR 15 194.814 4.169 4.964 694 HA TYR 15 HA TYR 15 192.624 3.997 5.543 695 HB2 TYR 15 HB2 TYR 15 192.704 7.021 5.552 696 HB3 TYR 15 HB1 TYR 15 191.508 6.008 6.353 697 HD1 TYR 15 HD1 TYR 15 192.478 4.303 8.100 698 HD2 TYR 15 HD2 TYR 15 194.519 7.789 6.767 699 HE1 TYR 15 HE1 TYR 15 193.870 4.256 10.126 700 HE2 TYR 15 HE2 TYR 15 195.917 7.751 8.788 701 HH TYR 15 HH TYR 15 195.820 6.863 11.079 702 H LYS 16 HN LYS 16 193.463 4.429 2.652 703 HA LYS 16 HA LYS 16 191.013 5.565 1.537 704 HB2 LYS 16 HB2 LYS 16 193.574 4.639 0.225 705 HB3 LYS 16 HB1 LYS 16 192.187 5.269 -0.652 706 HG2 LYS 16 HG2 LYS 16 192.411 7.397 0.548 707 HG3 LYS 16 HG1 LYS 16 193.829 6.762 1.383 708 HD2 LYS 16 HD2 LYS 16 194.992 6.511 -0.736 709 HD3 LYS 16 HD1 LYS 16 193.562 7.062 -1.609 710 HE2 LYS 16 HE2 LYS 16 193.720 9.235 -0.496 711 HE3 LYS 16 HE1 LYS 16 195.145 8.684 0.382 712 HZ1 LYS 16 HZ1 LYS 16 196.298 8.422 -1.726 713 HZ2 LYS 16 HZ2 LYS 16 195.752 10.011 -1.540 714 HZ3 LYS 16 HZ3 LYS 16 194.929 8.950 -2.568 715 H CYS 17 HN CYS 17 189.386 4.357 0.821 716 HA CYS 17 HA CYS 17 189.738 1.450 0.758 717 HB2 CYS 17 HB2 CYS 17 187.922 2.320 2.161 718 HB3 CYS 17 HB1 CYS 17 187.214 3.120 0.763 719 HG CYS 17 HG CYS 17 187.114 0.382 -0.491 720 H THR 18 HN THR 18 190.227 0.618 -1.159 721 HA THR 18 HA THR 18 189.362 1.956 -3.602 722 HB THR 18 HB THR 18 191.148 -0.466 -3.287 723 HG1 THR 18 HG1 THR 18 192.811 0.925 -3.244 724 HG21 THR 18 HG21 THR 18 191.838 0.051 -5.591 725 HG22 THR 18 HG22 THR 18 190.643 1.346 -5.652 726 HG23 THR 18 HG23 THR 18 190.119 -0.331 -5.495 727 H ALA 19 HN ALA 19 188.278 0.840 -5.299 728 HA ALA 19 HA ALA 19 186.970 -1.679 -4.592 729 HB1 ALA 19 HB1 ALA 19 185.430 0.742 -5.521 730 HB2 ALA 19 HB2 ALA 19 185.454 0.123 -3.869 731 HB3 ALA 19 HB3 ALA 19 184.769 -0.854 -5.168 732 H TYR 20 HN TYR 20 185.920 -2.717 -6.442 733 HA TYR 20 HA TYR 20 187.115 -1.886 -9.004 734 HB2 TYR 20 HB2 TYR 20 186.662 -4.689 -7.963 735 HB3 TYR 20 HB1 TYR 20 187.191 -4.305 -9.598 736 HD1 TYR 20 HD1 TYR 20 188.155 -4.227 -6.038 737 HD2 TYR 20 HD2 TYR 20 189.461 -3.721 -10.055 738 HE1 TYR 20 HE1 TYR 20 190.491 -4.223 -5.271 739 HE2 TYR 20 HE2 TYR 20 191.801 -3.714 -9.299 740 HH TYR 20 HH TYR 20 192.730 -4.676 -6.182 741 H LEU 21 HN LEU 21 185.593 -1.169 -10.328 742 HA LEU 21 HA LEU 21 182.832 -1.936 -10.012 743 HB2 LEU 21 HB2 LEU 21 184.157 -0.206 -12.101 744 HB3 LEU 21 HB1 LEU 21 182.428 -0.384 -11.878 745 HG LEU 21 HG LEU 21 184.352 0.848 -9.906 746 HD11 LEU 21 HD11 LEU 21 183.926 2.260 -11.844 747 HD12 LEU 21 HD12 LEU 21 183.150 2.919 -10.403 748 HD13 LEU 21 HD13 LEU 21 182.188 2.070 -11.613 749 HD21 LEU 21 HD21 LEU 21 181.359 0.510 -9.759 750 HD22 LEU 21 HD22 LEU 21 182.352 1.414 -8.617 751 HD23 LEU 21 HD23 LEU 21 182.548 -0.332 -8.767 752 H ASP 22 HN ASP 22 181.521 -2.828 -11.707 753 HA ASP 22 HA ASP 22 182.974 -4.834 -13.263 754 HB2 ASP 22 HB2 ASP 22 181.113 -5.570 -11.799 755 HB3 ASP 22 HB1 ASP 22 180.003 -4.575 -12.737 756 H TYR 23 HN TYR 23 182.599 -1.875 -13.931 757 HA TYR 23 HA TYR 23 180.970 -1.877 -16.302 758 HB2 TYR 23 HB2 TYR 23 181.176 0.149 -14.947 759 HB3 TYR 23 HB1 TYR 23 182.913 0.181 -15.231 760 HD1 TYR 23 HD1 TYR 23 179.607 0.707 -16.753 761 HD2 TYR 23 HD2 TYR 23 183.815 0.987 -17.310 762 HE1 TYR 23 HE1 TYR 23 179.244 2.078 -18.761 763 HE2 TYR 23 HE2 TYR 23 183.463 2.359 -19.319 764 HH TYR 23 HH TYR 23 181.708 2.762 -20.990 765 H GLY 24 HN GLY 24 181.616 -1.998 -18.403 766 HA2 GLY 24 HA2 GLY 24 182.955 -2.469 -20.208 767 HA3 GLY 24 HA1 GLY 24 184.262 -1.699 -19.322 768 H ASP 25 HN ASP 25 185.939 -3.050 -19.521 769 HA ASP 25 HA ASP 25 185.569 -5.918 -19.399 770 HB2 ASP 25 HB2 ASP 25 188.089 -4.263 -19.664 771 HB3 ASP 25 HB1 ASP 25 188.003 -6.017 -19.809 772 H GLY 26 HN GLY 26 186.712 -3.336 -17.341 773 HA2 GLY 26 HA2 GLY 26 186.365 -3.899 -14.913 774 HA3 GLY 26 HA1 GLY 26 187.321 -5.333 -15.249 775 H LYS 27 HN LYS 27 187.853 -2.014 -16.368 776 HA LYS 27 HA LYS 27 190.440 -2.060 -14.960 777 HB2 LYS 27 HB2 LYS 27 189.678 -0.592 -17.491 778 HB3 LYS 27 HB1 LYS 27 191.246 -0.507 -16.700 779 HG2 LYS 27 HG2 LYS 27 191.580 -2.895 -17.096 780 HG3 LYS 27 HG1 LYS 27 190.005 -2.980 -17.888 781 HD2 LYS 27 HD2 LYS 27 190.776 -1.393 -19.585 782 HD3 LYS 27 HD1 LYS 27 192.349 -1.306 -18.790 783 HE2 LYS 27 HE2 LYS 27 192.685 -3.696 -19.199 784 HE3 LYS 27 HE1 LYS 27 191.113 -3.781 -19.992 785 HZ1 LYS 27 HZ1 LYS 27 193.424 -2.153 -20.905 786 HZ2 LYS 27 HZ2 LYS 27 191.917 -2.235 -21.668 787 HZ3 LYS 27 HZ3 LYS 27 192.904 -3.606 -21.599 788 H TRP 28 HN TRP 28 187.661 -1.046 -14.156 789 HA TRP 28 HA TRP 28 188.450 1.726 -13.542 790 HB2 TRP 28 HB2 TRP 28 185.671 0.540 -13.714 791 HB3 TRP 28 HB1 TRP 28 186.042 2.207 -13.284 792 HD1 TRP 28 HD1 TRP 28 185.974 -0.168 -16.286 793 HE1 TRP 28 HE1 TRP 28 186.059 1.233 -18.443 794 HE3 TRP 28 HE3 TRP 28 186.828 4.435 -14.231 795 HZ2 TRP 28 HZ2 TRP 28 186.438 3.933 -19.177 796 HZ3 TRP 28 HZ3 TRP 28 187.040 6.375 -15.730 797 HH2 TRP 28 HH2 TRP 28 186.849 6.127 -18.151 798 H VAL 29 HN VAL 29 188.632 2.327 -11.461 799 HA VAL 29 HA VAL 29 187.502 0.605 -9.377 800 HB VAL 29 HB VAL 29 189.594 0.697 -8.076 801 HG11 VAL 29 HG11 VAL 29 189.111 -1.269 -9.426 802 HG12 VAL 29 HG12 VAL 29 190.845 -0.949 -9.394 803 HG13 VAL 29 HG13 VAL 29 189.895 -0.523 -10.818 804 HG21 VAL 29 HG21 VAL 29 190.772 1.882 -10.589 805 HG22 VAL 29 HG22 VAL 29 191.685 1.360 -9.173 806 HG23 VAL 29 HG23 VAL 29 190.559 2.712 -9.047 807 H ALA 30 HN ALA 30 186.770 1.676 -7.615 808 HA ALA 30 HA ALA 30 186.933 4.598 -7.692 809 HB1 ALA 30 HB1 ALA 30 185.019 4.577 -6.195 810 HB2 ALA 30 HB2 ALA 30 185.113 2.821 -6.071 811 HB3 ALA 30 HB3 ALA 30 184.702 3.575 -7.611 812 H GLN 31 HN GLN 31 187.218 5.785 -5.675 813 HA GLN 31 HA GLN 31 188.419 4.387 -3.445 814 HB2 GLN 31 HB2 GLN 31 190.010 6.306 -5.149 815 HB3 GLN 31 HB1 GLN 31 190.488 5.815 -3.530 816 HG2 GLN 31 HG2 GLN 31 190.500 3.456 -4.323 817 HG3 GLN 31 HG1 GLN 31 190.207 4.058 -5.954 818 HE21 GLN 31 HE21 GLN 31 192.490 3.823 -3.347 819 HE22 GLN 31 HE22 GLN 31 193.883 4.297 -4.252 820 H TRP 32 HN TRP 32 188.181 5.464 -1.556 821 HA TRP 32 HA TRP 32 187.659 8.314 -1.522 822 HB2 TRP 32 HB2 TRP 32 185.509 8.074 -0.325 823 HB3 TRP 32 HB1 TRP 32 185.431 7.439 -1.965 824 HD1 TRP 32 HD1 TRP 32 185.116 6.395 1.661 825 HE1 TRP 32 HE1 TRP 32 184.338 3.944 1.772 826 HE3 TRP 32 HE3 TRP 32 185.605 5.164 -3.277 827 HZ2 TRP 32 HZ2 TRP 32 183.981 1.776 0.001 828 HZ3 TRP 32 HZ3 TRP 32 185.025 2.880 -3.986 829 HH2 TRP 32 HH2 TRP 32 184.231 1.222 -2.380 830 H ASP 33 HN ASP 33 188.372 9.230 0.316 831 HA ASP 33 HA ASP 33 189.933 7.787 2.133 832 HB2 ASP 33 HB2 ASP 33 188.675 10.519 2.474 833 HB3 ASP 33 HB1 ASP 33 189.978 9.868 3.464 834 H THR 34 HN THR 34 189.623 7.226 4.306 835 HA THR 34 HA THR 34 186.949 7.426 5.436 836 HB THR 34 HB THR 34 186.791 5.025 5.924 837 HG1 THR 34 HG1 THR 34 188.432 3.742 5.543 838 HG21 THR 34 HG21 THR 34 187.158 5.606 2.982 839 HG22 THR 34 HG22 THR 34 185.690 5.889 3.918 840 HG23 THR 34 HG23 THR 34 186.269 4.243 3.661 841 H ALA 35 HN ALA 35 187.044 6.030 7.632 842 HA ALA 35 HA ALA 35 189.549 6.803 8.982 843 HB1 ALA 35 HB1 ALA 35 188.241 7.261 10.989 844 HB2 ALA 35 HB2 ALA 35 186.761 6.827 10.134 845 HB3 ALA 35 HB3 ALA 35 187.684 8.245 9.636 846 H VAL 36 HN VAL 36 190.671 5.099 9.633 847 HA VAL 36 HA VAL 36 189.208 2.670 10.442 848 HB VAL 36 HB VAL 36 192.010 2.791 9.320 849 HG11 VAL 36 HG11 VAL 36 190.192 0.456 9.909 850 HG12 VAL 36 HG12 VAL 36 191.638 0.906 10.813 851 HG13 VAL 36 HG13 VAL 36 191.778 0.357 9.144 852 HG21 VAL 36 HG21 VAL 36 189.434 1.983 7.974 853 HG22 VAL 36 HG22 VAL 36 191.049 1.800 7.288 854 HG23 VAL 36 HG23 VAL 36 190.402 3.410 7.607 855 H PHE 37 HN PHE 37 189.783 1.652 12.325 856 HA PHE 37 HA PHE 37 192.109 2.461 13.820 857 HB2 PHE 37 HB2 PHE 37 190.854 3.226 15.800 858 HB3 PHE 37 HB1 PHE 37 190.583 4.270 14.409 859 HD1 PHE 37 HD1 PHE 37 188.431 4.254 13.244 860 HD2 PHE 37 HD2 PHE 37 189.087 1.925 16.745 861 HE1 PHE 37 HE1 PHE 37 186.003 3.966 13.502 862 HE2 PHE 37 HE2 PHE 37 186.658 1.631 17.009 863 HZ PHE 37 HZ PHE 37 185.113 2.653 15.386 864 H HIS 38 HN HIS 38 192.453 1.159 15.722 865 HA HIS 38 HA HIS 38 191.580 -1.537 15.350 866 HB2 HIS 38 HB2 HIS 38 193.846 -1.013 16.140 867 HB3 HIS 38 HB1 HIS 38 193.176 -0.300 17.604 868 HD1 HIS 38 HD1 HIS 38 192.683 -1.854 19.517 869 HD2 HIS 38 HD2 HIS 38 193.510 -3.876 15.982 870 HE1 HIS 38 HE1 HIS 38 192.869 -4.278 20.157 871 HE2 HIS 38 HE2 HIS 38 193.368 -5.485 18.002 872 H THR 39 HN THR 39 190.417 -2.839 16.829 873 HA THR 39 HA THR 39 188.846 -1.413 18.857 874 HB THR 39 HB THR 39 186.795 -2.586 18.163 875 HG1 THR 39 HG1 THR 39 187.909 -4.326 17.046 876 HG21 THR 39 HG21 THR 39 188.070 -0.973 15.949 877 HG22 THR 39 HG22 THR 39 187.201 -0.321 17.338 878 HG23 THR 39 HG23 THR 39 186.343 -1.283 16.133 879 H THR 40 HN THR 40 187.385 -3.219 19.996 880 HA THR 40 HA THR 40 188.969 -5.653 20.399 881 HB THR 40 HB THR 40 188.775 -5.453 22.845 882 HG1 THR 40 HG1 THR 40 187.644 -2.926 22.183 883 HG21 THR 40 HG21 THR 40 190.455 -3.693 23.164 884 HG22 THR 40 HG22 THR 40 190.121 -3.081 21.544 885 HG23 THR 40 HG23 THR 40 190.823 -4.686 21.754
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