NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5344 | 1h8m | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H1 MET 1 H1 MET 1 216.628 16.847 -3.190 2 H2 MET 1 H2 MET 1 215.841 17.084 -4.696 3 H3 MET 1 H3 MET 1 216.093 15.497 -4.100 4 HA MET 1 HA MET 1 217.687 15.782 -5.713 5 1HB MET 1 1HB MET 1 217.957 18.513 -4.470 6 2HB MET 1 2HB MET 1 219.217 17.860 -5.506 7 1HG MET 1 1HG MET 1 217.971 18.055 -7.390 8 2HG MET 1 2HG MET 1 216.443 17.822 -6.542 9 1HE MET 1 1HE MET 1 218.858 20.209 -8.144 10 2HE MET 1 2HE MET 1 218.656 21.747 -7.305 11 3HE MET 1 3HE MET 1 219.497 20.414 -6.513 12 H ARG 2 H ARG 2 217.608 14.498 -3.152 13 HA ARG 2 HA ARG 2 220.444 14.170 -2.707 14 1HB ARG 2 1HB ARG 2 218.631 15.405 -0.661 15 2HB ARG 2 2HB ARG 2 219.973 14.398 -0.141 16 1HG ARG 2 1HG ARG 2 221.257 16.195 -0.236 17 2HG ARG 2 2HG ARG 2 221.079 16.164 -1.990 18 1HD ARG 2 1HD ARG 2 218.959 17.496 -1.679 19 2HD ARG 2 2HD ARG 2 219.426 17.691 0.009 20 HE ARG 2 HE ARG 2 221.499 18.482 -1.794 21 1HH1 ARG 2 1HH1 ARG 2 218.524 19.552 -0.288 22 2HH1 ARG 2 2HH1 ARG 2 218.926 21.231 -0.404 23 1HH2 ARG 2 1HH2 ARG 2 222.023 20.696 -1.944 24 2HH2 ARG 2 2HH2 ARG 2 220.912 21.882 -1.345 25 H ILE 3 H ILE 3 220.961 12.293 -1.439 26 HA ILE 3 HA ILE 3 219.185 10.116 -1.851 27 HB ILE 3 HB ILE 3 221.605 9.788 -1.852 28 1HG1 ILE 3 1HG1 ILE 3 220.385 8.282 0.464 29 2HG1 ILE 3 2HG1 ILE 3 220.087 7.907 -1.232 30 1HG2 ILE 3 1HG2 ILE 3 221.534 11.321 0.499 31 2HG2 ILE 3 2HG2 ILE 3 222.105 9.724 0.974 32 3HG2 ILE 3 3HG2 ILE 3 222.946 10.621 -0.289 33 1HD1 ILE 3 1HD1 ILE 3 222.656 7.757 -1.401 34 2HD1 ILE 3 2HD1 ILE 3 222.593 7.607 0.354 35 3HD1 ILE 3 3HD1 ILE 3 221.760 6.432 -0.662 36 H TYR 4 H TYR 4 217.714 9.187 -0.526 37 HA TYR 4 HA TYR 4 217.298 10.507 2.057 38 1HB TYR 4 1HB TYR 4 215.322 8.934 0.403 39 2HB TYR 4 2HB TYR 4 214.965 9.822 1.881 40 HD1 TYR 4 HD1 TYR 4 214.640 9.970 -1.538 41 HD2 TYR 4 HD2 TYR 4 215.921 12.389 1.721 42 HE1 TYR 4 HE1 TYR 4 214.197 11.990 -2.868 43 HE2 TYR 4 HE2 TYR 4 215.478 14.413 0.400 44 HH TYR 4 HH TYR 4 215.375 14.957 -2.160 45 H TYR 5 H TYR 5 217.916 7.338 0.673 46 HA TYR 5 HA TYR 5 218.210 6.332 3.370 47 1HB TYR 5 1HB TYR 5 215.863 5.871 2.963 48 2HB TYR 5 2HB TYR 5 216.259 5.053 1.457 49 HD1 TYR 5 HD1 TYR 5 215.811 4.682 4.992 50 HD2 TYR 5 HD2 TYR 5 217.669 2.910 1.602 51 HE1 TYR 5 HE1 TYR 5 216.005 2.553 6.207 52 HE2 TYR 5 HE2 TYR 5 217.864 0.783 2.804 53 HH TYR 5 HH TYR 5 216.219 -0.125 5.207 54 H ILE 6 H ILE 6 219.438 4.533 3.611 55 HA ILE 6 HA ILE 6 220.520 3.210 1.257 56 HB ILE 6 HB ILE 6 222.091 4.926 3.096 57 1HG1 ILE 6 1HG1 ILE 6 222.058 4.160 0.210 58 2HG1 ILE 6 2HG1 ILE 6 221.992 5.757 0.941 59 1HG2 ILE 6 1HG2 ILE 6 222.880 2.646 3.661 60 2HG2 ILE 6 2HG2 ILE 6 223.326 2.431 1.969 61 3HG2 ILE 6 3HG2 ILE 6 224.114 3.675 2.938 62 1HD1 ILE 6 1HD1 ILE 6 224.489 4.705 1.636 63 2HD1 ILE 6 2HD1 ILE 6 224.241 4.309 -0.064 64 3HD1 ILE 6 3HD1 ILE 6 224.135 5.984 0.476 65 H GLY 7 H GLY 7 221.705 1.216 1.908 66 1HA GLY 7 1HA GLY 7 220.154 -0.123 3.916 67 2HA GLY 7 2HA GLY 7 221.816 0.125 4.410 68 H VAL 8 H VAL 8 220.742 -2.342 4.236 69 HA VAL 8 HA VAL 8 221.542 -3.561 1.730 70 HB VAL 8 HB VAL 8 222.781 -4.802 4.108 71 1HG1 VAL 8 1HG1 VAL 8 222.928 -5.709 1.786 72 2HG1 VAL 8 2HG1 VAL 8 223.867 -4.286 1.339 73 3HG1 VAL 8 3HG1 VAL 8 224.499 -5.420 2.531 74 1HG2 VAL 8 1HG2 VAL 8 223.249 -2.279 4.237 75 2HG2 VAL 8 2HG2 VAL 8 224.618 -3.384 4.327 76 3HG2 VAL 8 3HG2 VAL 8 224.264 -2.538 2.821 77 H PHE 9 H PHE 9 220.557 -5.577 1.430 78 HA PHE 9 HA PHE 9 219.252 -6.904 3.638 79 1HB PHE 9 1HB PHE 9 217.369 -6.217 1.436 80 2HB PHE 9 2HB PHE 9 217.038 -6.560 3.124 81 HD1 PHE 9 HD1 PHE 9 216.187 -4.833 4.326 82 HD2 PHE 9 HD2 PHE 9 218.887 -3.955 1.158 83 HE1 PHE 9 HE1 PHE 9 215.899 -2.431 4.751 84 HE2 PHE 9 HE2 PHE 9 218.589 -1.550 1.572 85 HZ PHE 9 HZ PHE 9 217.105 -0.793 3.374 86 H ARG 10 H ARG 10 219.371 -9.014 3.325 87 HA ARG 10 HA ARG 10 220.170 -10.075 0.768 88 1HB ARG 10 1HB ARG 10 221.139 -11.169 2.620 89 2HB ARG 10 2HB ARG 10 219.602 -11.295 3.460 90 1HG ARG 10 1HG ARG 10 219.609 -12.676 0.896 91 2HG ARG 10 2HG ARG 10 220.821 -13.285 2.020 92 1HD ARG 10 1HD ARG 10 219.185 -13.758 3.669 93 2HD ARG 10 2HD ARG 10 217.946 -12.862 2.793 94 HE ARG 10 HE ARG 10 218.509 -14.748 1.024 95 1HH1 ARG 10 1HH1 ARG 10 218.026 -15.032 4.483 96 2HH1 ARG 10 2HH1 ARG 10 217.419 -16.650 4.386 97 1HH2 ARG 10 1HH2 ARG 10 217.707 -16.876 0.907 98 2HH2 ARG 10 2HH2 ARG 10 217.238 -17.697 2.358 99 H SER 11 H SER 11 218.906 -11.079 -0.733 100 HA SER 11 HA SER 11 216.100 -10.716 -0.634 101 1HB SER 11 1HB SER 11 217.184 -12.750 -2.503 102 2HB SER 11 2HB SER 11 216.067 -11.420 -2.803 103 HG SER 11 HG SER 11 218.640 -11.498 -3.338 104 H GLY 12 H GLY 12 215.031 -11.731 0.967 105 1HA GLY 12 1HA GLY 12 214.420 -13.459 2.414 106 2HA GLY 12 2HA GLY 12 215.566 -14.515 1.603 107 H GLY 13 H GLY 13 212.335 -13.896 2.096 108 1HA GLY 13 1HA GLY 13 210.758 -15.558 1.280 109 2HA GLY 13 2HA GLY 13 211.608 -15.528 -0.258 110 H GLU 14 H GLU 14 209.219 -14.011 1.735 111 HA GLU 14 HA GLU 14 207.936 -12.789 -0.480 112 1HB GLU 14 1HB GLU 14 207.434 -13.109 2.376 113 2HB GLU 14 2HB GLU 14 206.902 -11.545 1.774 114 1HG GLU 14 1HG GLU 14 205.374 -12.489 0.302 115 2HG GLU 14 2HG GLU 14 206.156 -14.068 0.352 116 H LYS 15 H LYS 15 210.167 -11.616 1.961 117 HA LYS 15 HA LYS 15 210.390 -9.095 0.497 118 1HB LYS 15 1HB LYS 15 210.560 -7.843 2.594 119 2HB LYS 15 2HB LYS 15 209.007 -8.656 2.475 120 1HG LYS 15 1HG LYS 15 211.227 -10.018 3.917 121 2HG LYS 15 2HG LYS 15 210.388 -8.680 4.703 122 1HD LYS 15 1HD LYS 15 208.691 -10.745 3.432 123 2HD LYS 15 2HD LYS 15 209.576 -11.231 4.878 124 1HE LYS 15 1HE LYS 15 208.565 -9.502 6.171 125 2HE LYS 15 2HE LYS 15 207.864 -8.758 4.734 126 1HZ LYS 15 1HZ LYS 15 206.483 -10.733 4.445 127 2HZ LYS 15 2HZ LYS 15 207.139 -11.415 5.848 128 3HZ LYS 15 3HZ LYS 15 206.208 -10.006 5.949 129 H ALA 16 H ALA 16 212.410 -7.880 1.727 130 HA ALA 16 HA ALA 16 214.612 -9.771 1.368 131 1HB ALA 16 1HB ALA 16 216.013 -7.855 1.036 132 2HB ALA 16 2HB ALA 16 214.724 -6.771 1.555 133 3HB ALA 16 3HB ALA 16 214.562 -7.678 0.052 134 H LEU 17 H LEU 17 215.865 -10.445 2.984 135 HA LEU 17 HA LEU 17 215.238 -9.905 5.675 136 1HB LEU 17 1HB LEU 17 216.476 -11.927 4.589 137 2HB LEU 17 2HB LEU 17 217.915 -10.954 4.823 138 HG LEU 17 HG LEU 17 216.206 -11.243 7.208 139 1HD1 LEU 17 1HD1 LEU 17 217.698 -13.595 6.058 140 2HD1 LEU 17 2HD1 LEU 17 217.051 -13.503 7.696 141 3HD1 LEU 17 3HD1 LEU 17 215.958 -13.473 6.312 142 1HD2 LEU 17 1HD2 LEU 17 219.121 -11.224 6.537 143 2HD2 LEU 17 2HD2 LEU 17 218.211 -10.155 7.605 144 3HD2 LEU 17 3HD2 LEU 17 218.568 -11.808 8.106 145 H GLU 18 H GLU 18 215.415 -7.860 6.384 146 HA GLU 18 HA GLU 18 217.090 -5.868 5.544 147 1HB GLU 18 1HB GLU 18 215.361 -6.319 7.815 148 2HB GLU 18 2HB GLU 18 216.772 -5.379 8.280 149 1HG GLU 18 1HG GLU 18 216.259 -3.651 6.799 150 2HG GLU 18 2HG GLU 18 215.147 -4.655 5.872 151 H LEU 19 H LEU 19 219.210 -6.080 5.282 152 HA LEU 19 HA LEU 19 220.911 -7.448 7.157 153 1HB LEU 19 1HB LEU 19 221.081 -6.789 4.483 154 2HB LEU 19 2HB LEU 19 222.231 -5.712 5.245 155 HG LEU 19 HG LEU 19 223.315 -7.698 6.292 156 1HD1 LEU 19 1HD1 LEU 19 221.143 -9.092 5.893 157 2HD1 LEU 19 2HD1 LEU 19 221.873 -9.414 4.321 158 3HD1 LEU 19 3HD1 LEU 19 222.723 -9.866 5.798 159 1HD2 LEU 19 1HD2 LEU 19 223.147 -7.559 3.289 160 2HD2 LEU 19 2HD2 LEU 19 224.282 -6.709 4.336 161 3HD2 LEU 19 3HD2 LEU 19 224.371 -8.462 4.179 162 H SER 20 H SER 20 220.550 -4.095 6.055 163 HA SER 20 HA SER 20 221.060 -3.103 8.682 164 1HB SER 20 1HB SER 20 223.042 -1.915 8.359 165 2HB SER 20 2HB SER 20 223.365 -3.464 7.583 166 HG SER 20 HG SER 20 224.002 -1.800 6.218 167 H GLU 21 H GLU 21 220.354 -0.907 8.946 168 HA GLU 21 HA GLU 21 219.107 0.246 6.543 169 1HB GLU 21 1HB GLU 21 217.754 0.098 9.235 170 2HB GLU 21 2HB GLU 21 217.068 0.715 7.740 171 1HG GLU 21 1HG GLU 21 216.123 -1.346 7.762 172 2HG GLU 21 2HG GLU 21 217.606 -1.724 6.890 173 H VAL 22 H VAL 22 219.961 2.157 6.193 174 HA VAL 22 HA VAL 22 220.366 4.005 8.447 175 HB VAL 22 HB VAL 22 222.492 3.248 7.401 176 1HG1 VAL 22 1HG1 VAL 22 221.390 4.597 4.959 177 2HG1 VAL 22 2HG1 VAL 22 223.085 4.165 5.177 178 3HG1 VAL 22 3HG1 VAL 22 221.854 2.906 5.144 179 1HG2 VAL 22 1HG2 VAL 22 222.283 5.458 8.504 180 2HG2 VAL 22 2HG2 VAL 22 223.502 5.433 7.231 181 3HG2 VAL 22 3HG2 VAL 22 221.929 6.172 6.931 182 H LYS 23 H LYS 23 219.414 6.016 8.238 183 HA LYS 23 HA LYS 23 218.070 6.556 5.665 184 1HB LYS 23 1HB LYS 23 216.998 7.165 8.420 185 2HB LYS 23 2HB LYS 23 216.205 7.542 6.898 186 1HG LYS 23 1HG LYS 23 215.140 5.603 7.148 187 2HG LYS 23 2HG LYS 23 216.663 4.840 6.688 188 1HD LYS 23 1HD LYS 23 217.222 5.051 9.223 189 2HD LYS 23 2HD LYS 23 215.474 5.212 9.407 190 1HE LYS 23 1HE LYS 23 215.213 3.085 8.136 191 2HE LYS 23 2HE LYS 23 216.967 2.913 8.151 192 1HZ LYS 23 1HZ LYS 23 215.241 3.060 10.565 193 2HZ LYS 23 2HZ LYS 23 215.904 1.643 9.924 194 3HZ LYS 23 3HZ LYS 23 216.919 2.839 10.555 195 H ASP 24 H ASP 24 217.535 8.719 5.202 196 HA ASP 24 HA ASP 24 219.145 10.748 6.589 197 1HB ASP 24 1HB ASP 24 219.668 9.862 4.009 198 2HB ASP 24 2HB ASP 24 218.681 11.294 3.744 199 H LEU 25 H LEU 25 217.614 11.862 7.623 200 HA LEU 25 HA LEU 25 215.150 12.559 6.183 201 1HB LEU 25 1HB LEU 25 215.483 12.562 9.174 202 2HB LEU 25 2HB LEU 25 213.991 12.598 8.253 203 HG LEU 25 HG LEU 25 215.794 10.223 8.006 204 1HD1 LEU 25 1HD1 LEU 25 215.117 11.009 10.491 205 2HD1 LEU 25 2HD1 LEU 25 213.697 10.053 10.063 206 3HD1 LEU 25 3HD1 LEU 25 215.302 9.324 10.005 207 1HD2 LEU 25 1HD2 LEU 25 212.862 10.786 7.705 208 2HD2 LEU 25 2HD2 LEU 25 213.998 10.159 6.512 209 3HD2 LEU 25 3HD2 LEU 25 213.481 9.142 7.856 210 H SER 26 H SER 26 216.459 14.283 5.242 211 HA SER 26 HA SER 26 217.158 16.492 7.009 212 1HB SER 26 1HB SER 26 217.462 16.196 4.012 213 2HB SER 26 2HB SER 26 218.074 17.545 4.968 214 HG SER 26 HG SER 26 219.737 16.099 4.721 215 H GLN 27 H GLN 27 215.061 16.001 4.153 216 HA GLN 27 HA GLN 27 213.806 18.577 4.513 217 1HB GLN 27 1HB GLN 27 213.243 16.311 2.598 218 2HB GLN 27 2HB GLN 27 212.391 17.848 2.579 219 1HG GLN 27 1HG GLN 27 215.375 17.715 2.349 220 2HG GLN 27 2HG GLN 27 214.329 17.511 0.945 221 2HE2 GLN 27 2HE2 GLN 27 213.227 19.266 0.125 222 1HE2 GLN 27 1HE2 GLN 27 213.534 20.888 0.636 223 H PHE 28 H PHE 28 213.198 15.380 5.637 224 HA PHE 28 HA PHE 28 210.360 15.827 6.067 225 1HB PHE 28 1HB PHE 28 211.758 13.491 7.275 226 2HB PHE 28 2HB PHE 28 210.181 13.579 6.493 227 HD1 PHE 28 HD1 PHE 28 210.277 14.132 3.907 228 HD2 PHE 28 HD2 PHE 28 213.466 12.459 6.163 229 HE1 PHE 28 HE1 PHE 28 211.290 13.281 1.833 230 HE2 PHE 28 HE2 PHE 28 214.483 11.604 4.097 231 HZ PHE 28 HZ PHE 28 213.402 12.018 1.933 232 H GLY 29 H GLY 29 209.485 16.631 7.874 233 1HA GLY 29 1HA GLY 29 209.315 17.566 9.961 234 2HA GLY 29 2HA GLY 29 211.063 17.716 9.945 235 H PHE 30 H PHE 30 210.084 17.288 12.329 236 HA PHE 30 HA PHE 30 211.287 14.927 13.216 237 1HB PHE 30 1HB PHE 30 210.281 15.421 15.406 238 2HB PHE 30 2HB PHE 30 210.990 16.856 14.679 239 HD1 PHE 30 HD1 PHE 30 207.879 15.203 15.662 240 HD2 PHE 30 HD2 PHE 30 209.604 18.696 13.947 241 HE1 PHE 30 HE1 PHE 30 205.751 16.398 15.963 242 HE2 PHE 30 HE2 PHE 30 207.478 19.896 14.245 243 HZ PHE 30 HZ PHE 30 205.548 18.747 15.254 244 H PHE 31 H PHE 31 207.916 15.599 12.430 245 HA PHE 31 HA PHE 31 207.090 12.942 13.283 246 1HB PHE 31 1HB PHE 31 204.825 13.667 12.797 247 2HB PHE 31 2HB PHE 31 205.637 14.897 13.757 248 HD1 PHE 31 HD1 PHE 31 206.268 17.037 12.759 249 HD2 PHE 31 HD2 PHE 31 204.151 14.090 10.534 250 HE1 PHE 31 HE1 PHE 31 205.686 18.732 11.076 251 HE2 PHE 31 HE2 PHE 31 203.567 15.781 8.845 252 HZ PHE 31 HZ PHE 31 204.334 18.105 9.115 253 H GLU 32 H GLU 32 207.564 14.796 10.320 254 HA GLU 32 HA GLU 32 206.440 12.905 8.539 255 1HB GLU 32 1HB GLU 32 207.157 15.427 8.211 256 2HB GLU 32 2HB GLU 32 208.669 14.702 7.685 257 1HG GLU 32 1HG GLU 32 207.396 13.373 6.025 258 2HG GLU 32 2HG GLU 32 205.941 14.247 6.503 259 H ARG 33 H ARG 33 209.781 13.503 9.599 260 HA ARG 33 HA ARG 33 211.164 11.733 8.020 261 1HB ARG 33 1HB ARG 33 212.877 11.711 9.693 262 2HB ARG 33 2HB ARG 33 212.158 13.313 9.678 263 1HG ARG 33 1HG ARG 33 210.762 12.603 11.633 264 2HG ARG 33 2HG ARG 33 211.725 11.127 11.697 265 1HD ARG 33 1HD ARG 33 213.182 13.709 11.624 266 2HD ARG 33 2HD ARG 33 212.330 13.302 13.113 267 HE ARG 33 HE ARG 33 213.828 11.076 12.342 268 1HH1 ARG 33 1HH1 ARG 33 214.369 14.349 13.458 269 2HH1 ARG 33 2HH1 ARG 33 215.887 13.976 14.201 270 1HH2 ARG 33 1HH2 ARG 33 215.828 10.589 13.322 271 2HH2 ARG 33 2HH2 ARG 33 216.717 11.841 14.123 272 H SER 34 H SER 34 209.205 10.999 10.860 273 HA SER 34 HA SER 34 210.036 8.319 11.196 274 1HB SER 34 1HB SER 34 208.741 9.713 12.866 275 2HB SER 34 2HB SER 34 207.308 9.441 11.875 276 HG SER 34 HG SER 34 208.703 7.683 13.517 277 H SER 35 H SER 35 207.177 9.697 9.566 278 HA SER 35 HA SER 35 206.180 7.265 8.559 279 1HB SER 35 1HB SER 35 205.811 9.991 7.300 280 2HB SER 35 2HB SER 35 204.740 8.597 7.168 281 HG SER 35 HG SER 35 204.975 10.460 9.181 282 H VAL 36 H VAL 36 208.311 9.717 7.088 283 HA VAL 36 HA VAL 36 208.532 8.413 4.584 284 HB VAL 36 HB VAL 36 210.747 10.133 5.655 285 1HG1 VAL 36 1HG1 VAL 36 210.758 8.930 3.402 286 2HG1 VAL 36 2HG1 VAL 36 209.531 10.098 2.913 287 3HG1 VAL 36 3HG1 VAL 36 211.130 10.654 3.406 288 1HG2 VAL 36 1HG2 VAL 36 207.973 10.921 5.383 289 2HG2 VAL 36 2HG2 VAL 36 209.342 11.824 6.032 290 3HG2 VAL 36 3HG2 VAL 36 209.017 11.841 4.300 291 H GLY 37 H GLY 37 210.382 8.172 7.594 292 1HA GLY 37 1HA GLY 37 211.909 6.594 8.293 293 2HA GLY 37 2HA GLY 37 212.555 6.671 6.656 294 H GLN 38 H GLN 38 209.369 5.625 7.845 295 HA GLN 38 HA GLN 38 209.793 2.850 7.560 296 1HB GLN 38 1HB GLN 38 207.903 3.704 8.835 297 2HB GLN 38 2HB GLN 38 207.244 4.480 7.402 298 1HG GLN 38 1HG GLN 38 206.049 2.429 7.985 299 2HG GLN 38 2HG GLN 38 206.800 2.333 6.393 300 2HE2 GLN 38 2HE2 GLN 38 207.295 1.454 9.787 301 1HE2 GLN 38 1HE2 GLN 38 208.183 0.007 9.464 302 H PHE 39 H PHE 39 208.664 5.365 5.357 303 HA PHE 39 HA PHE 39 207.929 3.794 3.163 304 1HB PHE 39 1HB PHE 39 207.785 6.404 3.643 305 2HB PHE 39 2HB PHE 39 209.276 6.417 2.712 306 HD1 PHE 39 HD1 PHE 39 208.228 3.943 0.987 307 HD2 PHE 39 HD2 PHE 39 206.708 7.797 1.965 308 HE1 PHE 39 HE1 PHE 39 206.925 3.953 -1.097 309 HE2 PHE 39 HE2 PHE 39 205.400 7.811 -0.117 310 HZ PHE 39 HZ PHE 39 205.507 5.888 -1.651 311 H MET 40 H MET 40 211.031 5.239 4.051 312 HA MET 40 HA MET 40 212.512 4.478 1.818 313 1HB MET 40 1HB MET 40 213.371 4.958 4.663 314 2HB MET 40 2HB MET 40 214.487 4.734 3.328 315 1HG MET 40 1HG MET 40 214.017 6.765 2.401 316 2HG MET 40 2HG MET 40 212.398 6.828 3.096 317 1HE MET 40 1HE MET 40 212.862 9.094 3.232 318 2HE MET 40 2HE MET 40 212.912 9.654 4.903 319 3HE MET 40 3HE MET 40 214.335 9.817 3.875 320 H THR 41 H THR 41 212.526 2.903 5.031 321 HA THR 41 HA THR 41 214.110 0.726 4.337 322 HB THR 41 HB THR 41 211.892 0.366 6.297 323 HG1 THR 41 HG1 THR 41 212.426 2.171 7.216 324 1HG2 THR 41 1HG2 THR 41 213.854 -1.271 5.852 325 2HG2 THR 41 2HG2 THR 41 214.776 -0.132 6.834 326 3HG2 THR 41 3HG2 THR 41 213.352 -0.924 7.507 327 H PHE 42 H PHE 42 210.527 0.770 4.539 328 HA PHE 42 HA PHE 42 210.028 -1.796 3.673 329 1HB PHE 42 1HB PHE 42 208.377 0.040 4.456 330 2HB PHE 42 2HB PHE 42 208.298 0.485 2.754 331 HD1 PHE 42 HD1 PHE 42 206.791 -0.580 1.363 332 HD2 PHE 42 HD2 PHE 42 207.927 -2.448 5.014 333 HE1 PHE 42 HE1 PHE 42 205.118 -2.342 0.978 334 HE2 PHE 42 HE2 PHE 42 206.255 -4.213 4.636 335 HZ PHE 42 HZ PHE 42 204.849 -4.161 2.615 336 H PHE 43 H PHE 43 210.753 1.062 1.755 337 HA PHE 43 HA PHE 43 210.316 -0.208 -0.778 338 1HB PHE 43 1HB PHE 43 210.474 2.383 -0.022 339 2HB PHE 43 2HB PHE 43 212.111 2.150 -0.617 340 HD1 PHE 43 HD1 PHE 43 210.567 4.130 -1.899 341 HD2 PHE 43 HD2 PHE 43 210.538 -0.071 -2.582 342 HE1 PHE 43 HE1 PHE 43 209.776 4.511 -4.193 343 HE2 PHE 43 HE2 PHE 43 209.747 0.303 -4.877 344 HZ PHE 43 HZ PHE 43 209.364 2.598 -5.689 345 H ALA 44 H ALA 44 213.078 0.405 1.331 346 HA ALA 44 HA ALA 44 215.083 -0.455 -0.497 347 1HB ALA 44 1HB ALA 44 215.401 0.982 1.560 348 2HB ALA 44 2HB ALA 44 215.313 -0.508 2.496 349 3HB ALA 44 3HB ALA 44 216.594 -0.290 1.304 350 H GLU 45 H GLU 45 213.131 -2.086 1.916 351 HA GLU 45 HA GLU 45 214.534 -4.572 1.790 352 1HB GLU 45 1HB GLU 45 212.654 -5.450 3.102 353 2HB GLU 45 2HB GLU 45 213.229 -3.932 3.776 354 1HG GLU 45 1HG GLU 45 211.379 -2.746 2.906 355 2HG GLU 45 2HG GLU 45 210.865 -4.125 1.938 356 H THR 46 H THR 46 211.810 -3.076 0.151 357 HA THR 46 HA THR 46 210.846 -5.386 -1.176 358 HB THR 46 HB THR 46 210.556 -2.429 -1.548 359 HG1 THR 46 HG1 THR 46 208.994 -3.162 -0.300 360 1HG2 THR 46 1HG2 THR 46 209.798 -4.454 -3.626 361 2HG2 THR 46 2HG2 THR 46 208.994 -2.892 -3.469 362 3HG2 THR 46 3HG2 THR 46 210.719 -2.964 -3.828 363 H VAL 47 H VAL 47 213.094 -2.805 -2.196 364 HA VAL 47 HA VAL 47 213.644 -3.776 -4.757 365 HB VAL 47 HB VAL 47 216.110 -2.827 -3.944 366 1HG1 VAL 47 1HG1 VAL 47 213.775 -1.575 -5.279 367 2HG1 VAL 47 2HG1 VAL 47 215.238 -0.640 -4.960 368 3HG1 VAL 47 3HG1 VAL 47 215.318 -2.091 -5.959 369 1HG2 VAL 47 1HG2 VAL 47 214.749 -2.184 -1.800 370 2HG2 VAL 47 2HG2 VAL 47 215.973 -1.116 -2.476 371 3HG2 VAL 47 3HG2 VAL 47 214.270 -0.820 -2.805 372 H ALA 48 H ALA 48 215.535 -4.384 -1.764 373 HA ALA 48 HA ALA 48 217.291 -6.212 -2.943 374 1HB ALA 48 1HB ALA 48 218.074 -5.753 -0.885 375 2HB ALA 48 2HB ALA 48 217.152 -7.189 -0.439 376 3HB ALA 48 3HB ALA 48 216.463 -5.584 -0.188 377 H SER 49 H SER 49 213.976 -6.540 -1.895 378 HA SER 49 HA SER 49 213.859 -9.390 -2.003 379 1HB SER 49 1HB SER 49 212.241 -7.845 -0.758 380 2HB SER 49 2HB SER 49 211.506 -7.532 -2.330 381 HG SER 49 HG SER 49 210.382 -9.234 -1.686 382 H ARG 50 H ARG 50 212.960 -6.750 -4.236 383 HA ARG 50 HA ARG 50 212.176 -8.547 -6.309 384 1HB ARG 50 1HB ARG 50 212.355 -6.381 -7.755 385 2HB ARG 50 2HB ARG 50 211.039 -6.585 -6.612 386 1HG ARG 50 1HG ARG 50 211.878 -5.019 -5.160 387 2HG ARG 50 2HG ARG 50 213.526 -5.196 -5.757 388 1HD ARG 50 1HD ARG 50 212.415 -3.051 -6.385 389 2HD ARG 50 2HD ARG 50 213.020 -3.993 -7.745 390 HE ARG 50 HE ARG 50 210.235 -4.429 -7.097 391 1HH1 ARG 50 1HH1 ARG 50 212.514 -2.581 -9.013 392 2HH1 ARG 50 2HH1 ARG 50 211.338 -2.134 -10.202 393 1HH2 ARG 50 1HH2 ARG 50 208.693 -3.834 -8.665 394 2HH2 ARG 50 2HH2 ARG 50 209.168 -2.844 -10.004 395 H THR 51 H THR 51 215.160 -7.366 -5.220 396 HA THR 51 HA THR 51 216.499 -7.798 -7.756 397 HB THR 51 HB THR 51 217.506 -6.967 -5.025 398 HG1 THR 51 HG1 THR 51 216.565 -5.247 -5.896 399 1HG2 THR 51 1HG2 THR 51 219.198 -8.227 -6.480 400 2HG2 THR 51 2HG2 THR 51 219.131 -6.815 -7.532 401 3HG2 THR 51 3HG2 THR 51 219.648 -6.641 -5.856 402 H GLY 52 H GLY 52 216.666 -9.905 -8.277 403 1HA GLY 52 1HA GLY 52 216.820 -12.198 -8.014 404 2HA GLY 52 2HA GLY 52 216.818 -11.968 -6.278 405 H ALA 53 H ALA 53 219.155 -10.255 -6.165 406 HA ALA 53 HA ALA 53 221.394 -10.441 -5.858 407 1HB ALA 53 1HB ALA 53 221.197 -13.394 -6.299 408 2HB ALA 53 2HB ALA 53 222.291 -12.497 -5.246 409 3HB ALA 53 3HB ALA 53 220.582 -12.634 -4.831 410 H GLY 54 H GLY 54 223.246 -10.264 -7.052 411 1HA GLY 54 1HA GLY 54 223.618 -11.652 -9.535 412 2HA GLY 54 2HA GLY 54 224.667 -10.414 -8.860 413 H GLU 55 H GLU 55 221.736 -9.018 -8.731 414 HA GLU 55 HA GLU 55 222.122 -7.734 -11.322 415 1HB GLU 55 1HB GLU 55 219.650 -7.627 -11.610 416 2HB GLU 55 2HB GLU 55 220.301 -9.258 -11.682 417 1HG GLU 55 1HG GLU 55 218.853 -9.871 -10.135 418 2HG GLU 55 2HG GLU 55 219.647 -8.789 -8.992 419 H ARG 56 H ARG 56 220.930 -5.630 -11.485 420 HA ARG 56 HA ARG 56 220.956 -4.258 -8.875 421 1HB ARG 56 1HB ARG 56 221.477 -3.036 -11.590 422 2HB ARG 56 2HB ARG 56 221.643 -2.244 -10.030 423 1HG ARG 56 1HG ARG 56 223.544 -3.526 -9.470 424 2HG ARG 56 2HG ARG 56 223.271 -4.646 -10.806 425 1HD ARG 56 1HD ARG 56 223.737 -1.734 -11.325 426 2HD ARG 56 2HD ARG 56 225.094 -2.821 -11.036 427 HE ARG 56 HE ARG 56 223.557 -4.029 -12.981 428 1HH1 ARG 56 1HH1 ARG 56 225.293 -1.008 -12.641 429 2HH1 ARG 56 2HH1 ARG 56 225.631 -0.870 -14.333 430 1HH2 ARG 56 1HH2 ARG 56 224.004 -3.842 -15.209 431 2HH2 ARG 56 2HH2 ARG 56 224.898 -2.478 -15.792 432 H GLN 57 H GLN 57 219.387 -2.621 -8.495 433 HA GLN 57 HA GLN 57 217.133 -2.539 -10.376 434 1HB GLN 57 1HB GLN 57 217.010 -3.383 -7.501 435 2HB GLN 57 2HB GLN 57 215.643 -2.541 -8.216 436 1HG GLN 57 1HG GLN 57 216.740 -4.846 -9.717 437 2HG GLN 57 2HG GLN 57 215.869 -5.190 -8.225 438 2HE2 GLN 57 2HE2 GLN 57 214.060 -6.082 -9.072 439 1HE2 GLN 57 1HE2 GLN 57 212.951 -5.239 -10.093 440 H SER 58 H SER 58 216.502 -0.546 -10.776 441 HA SER 58 HA SER 58 216.983 1.498 -8.736 442 1HB SER 58 1HB SER 58 217.116 1.743 -11.760 443 2HB SER 58 2HB SER 58 217.060 3.137 -10.682 444 HG SER 58 HG SER 58 219.098 1.243 -11.047 445 H ILE 59 H ILE 59 215.044 1.629 -7.801 446 HA ILE 59 HA ILE 59 212.600 1.366 -9.329 447 HB ILE 59 HB ILE 59 211.802 2.084 -6.780 448 1HG1 ILE 59 1HG1 ILE 59 214.205 0.267 -6.539 449 2HG1 ILE 59 2HG1 ILE 59 214.190 1.960 -6.074 450 1HG2 ILE 59 1HG2 ILE 59 211.007 0.238 -8.277 451 2HG2 ILE 59 2HG2 ILE 59 212.361 -0.729 -7.693 452 3HG2 ILE 59 3HG2 ILE 59 211.117 -0.184 -6.568 453 1HD1 ILE 59 1HD1 ILE 59 212.476 1.478 -4.411 454 2HD1 ILE 59 2HD1 ILE 59 212.524 -0.224 -4.872 455 3HD1 ILE 59 3HD1 ILE 59 213.943 0.536 -4.152 456 H GLU 60 H GLU 60 211.919 3.023 -10.454 457 HA GLU 60 HA GLU 60 212.409 5.750 -9.609 458 1HB GLU 60 1HB GLU 60 211.234 4.464 -12.055 459 2HB GLU 60 2HB GLU 60 210.979 6.179 -11.759 460 1HG GLU 60 1HG GLU 60 213.762 5.353 -11.474 461 2HG GLU 60 2HG GLU 60 213.102 5.078 -13.086 462 H GLU 61 H GLU 61 211.165 6.522 -8.047 463 HA GLU 61 HA GLU 61 208.291 5.877 -8.029 464 1HB GLU 61 1HB GLU 61 209.865 5.366 -6.027 465 2HB GLU 61 2HB GLU 61 209.802 7.096 -5.731 466 1HG GLU 61 1HG GLU 61 207.142 6.256 -6.060 467 2HG GLU 61 2HG GLU 61 207.922 5.062 -5.026 468 H GLY 62 H GLY 62 206.846 7.664 -7.253 469 1HA GLY 62 1HA GLY 62 205.940 9.721 -7.822 470 2HA GLY 62 2HA GLY 62 207.399 10.072 -8.738 471 H ASN 63 H ASN 63 209.389 10.063 -7.017 472 HA ASN 63 HA ASN 63 209.223 12.477 -5.637 473 1HB ASN 63 1HB ASN 63 207.818 10.853 -4.139 474 2HB ASN 63 2HB ASN 63 209.391 10.232 -3.650 475 2HD2 ASN 63 2HD2 ASN 63 207.202 12.919 -3.534 476 1HD2 ASN 63 1HD2 ASN 63 208.048 13.818 -2.325 477 H TYR 64 H TYR 64 210.725 9.271 -5.653 478 HA TYR 64 HA TYR 64 213.325 10.424 -6.115 479 1HB TYR 64 1HB TYR 64 214.337 9.187 -4.134 480 2HB TYR 64 2HB TYR 64 213.414 10.636 -3.758 481 HD1 TYR 64 HD1 TYR 64 211.696 10.547 -2.184 482 HD2 TYR 64 HD2 TYR 64 213.100 6.926 -3.921 483 HE1 TYR 64 HE1 TYR 64 210.305 9.263 -0.615 484 HE2 TYR 64 HE2 TYR 64 211.712 5.632 -2.358 485 HH TYR 64 HH TYR 64 209.258 6.560 -0.871 486 H ILE 65 H ILE 65 215.028 8.543 -5.952 487 HA ILE 65 HA ILE 65 213.948 6.268 -7.482 488 HB ILE 65 HB ILE 65 216.523 7.779 -7.569 489 1HG1 ILE 65 1HG1 ILE 65 214.653 6.612 -9.625 490 2HG1 ILE 65 2HG1 ILE 65 214.945 8.314 -9.270 491 1HG2 ILE 65 1HG2 ILE 65 217.295 5.525 -7.103 492 2HG2 ILE 65 2HG2 ILE 65 216.302 4.896 -8.418 493 3HG2 ILE 65 3HG2 ILE 65 217.653 5.971 -8.769 494 1HD1 ILE 65 1HD1 ILE 65 217.348 7.870 -9.995 495 2HD1 ILE 65 2HD1 ILE 65 216.732 6.362 -10.671 496 3HD1 ILE 65 3HD1 ILE 65 216.110 7.907 -11.250 497 H GLY 66 H GLY 66 215.041 4.167 -7.141 498 1HA GLY 66 1HA GLY 66 214.936 2.835 -4.959 499 2HA GLY 66 2HA GLY 66 216.237 3.903 -4.465 500 H HIS 67 H HIS 67 218.225 3.867 -5.732 501 HA HIS 67 HA HIS 67 218.785 1.915 -7.654 502 1HB HIS 67 1HB HIS 67 220.675 3.320 -5.755 503 2HB HIS 67 2HB HIS 67 221.181 2.366 -7.143 504 HD1 HIS 67 HD1 HIS 67 219.502 3.374 -9.382 505 HD2 HIS 67 HD2 HIS 67 221.020 5.897 -6.451 506 HE1 HIS 67 HE1 HIS 67 219.537 5.665 -10.418 507 HE2 HIS 67 HE2 HIS 67 220.519 7.164 -8.649 508 H VAL 68 H VAL 68 219.937 -0.055 -7.527 509 HA VAL 68 HA VAL 68 220.304 -1.268 -4.887 510 HB VAL 68 HB VAL 68 218.293 -2.112 -6.905 511 1HG1 VAL 68 1HG1 VAL 68 220.255 -3.955 -5.833 512 2HG1 VAL 68 2HG1 VAL 68 218.594 -4.406 -5.474 513 3HG1 VAL 68 3HG1 VAL 68 219.097 -4.158 -7.145 514 1HG2 VAL 68 1HG2 VAL 68 218.464 -1.689 -4.044 515 2HG2 VAL 68 2HG2 VAL 68 217.081 -1.594 -5.132 516 3HG2 VAL 68 3HG2 VAL 68 217.596 -3.156 -4.495 517 H TYR 69 H TYR 69 221.905 -2.772 -4.804 518 HA TYR 69 HA TYR 69 223.101 -3.743 -7.285 519 1HB TYR 69 1HB TYR 69 224.581 -2.216 -5.144 520 2HB TYR 69 2HB TYR 69 225.397 -3.254 -6.306 521 HD1 TYR 69 HD1 TYR 69 223.619 -0.094 -5.819 522 HD2 TYR 69 HD2 TYR 69 225.523 -2.631 -8.653 523 HE1 TYR 69 HE1 TYR 69 223.678 1.761 -7.432 524 HE2 TYR 69 HE2 TYR 69 225.586 -0.786 -10.271 525 HH TYR 69 HH TYR 69 224.998 2.427 -9.428 526 H ALA 70 H ALA 70 222.962 -5.869 -7.072 527 HA ALA 70 HA ALA 70 223.212 -7.070 -4.415 528 1HB ALA 70 1HB ALA 70 222.259 -8.272 -7.005 529 2HB ALA 70 2HB ALA 70 221.243 -7.663 -5.699 530 3HB ALA 70 3HB ALA 70 222.265 -9.074 -5.436 531 H ARG 71 H ARG 71 224.473 -8.952 -4.055 532 HA ARG 71 HA ARG 71 226.968 -8.955 -5.589 533 1HB ARG 71 1HB ARG 71 226.298 -9.240 -2.810 534 2HB ARG 71 2HB ARG 71 227.154 -10.678 -3.345 535 1HG ARG 71 1HG ARG 71 228.420 -8.261 -4.308 536 2HG ARG 71 2HG ARG 71 228.273 -8.276 -2.550 537 1HD ARG 71 1HD ARG 71 229.852 -9.836 -2.338 538 2HD ARG 71 2HD ARG 71 229.129 -10.844 -3.591 539 HE ARG 71 HE ARG 71 230.364 -8.786 -4.930 540 1HH1 ARG 71 1HH1 ARG 71 231.377 -11.294 -2.706 541 2HH1 ARG 71 2HH1 ARG 71 232.976 -11.398 -3.362 542 1HH2 ARG 71 1HH2 ARG 71 232.470 -8.929 -5.789 543 2HH2 ARG 71 2HH2 ARG 71 233.597 -10.056 -5.112 544 H SER 72 H SER 72 228.052 -11.279 -5.514 545 HA SER 72 HA SER 72 226.136 -13.079 -6.810 546 1HB SER 72 1HB SER 72 228.452 -12.269 -7.794 547 2HB SER 72 2HB SER 72 229.084 -13.593 -6.816 548 HG SER 72 HG SER 72 227.436 -13.659 -9.065 549 H GLU 73 H GLU 73 226.105 -12.899 -3.953 550 HA GLU 73 HA GLU 73 227.034 -15.604 -3.236 551 1HB GLU 73 1HB GLU 73 227.036 -13.064 -1.627 552 2HB GLU 73 2HB GLU 73 227.055 -14.637 -0.844 553 1HG GLU 73 1HG GLU 73 229.062 -14.241 -2.960 554 2HG GLU 73 2HG GLU 73 229.261 -13.254 -1.514 555 H GLY 74 H GLY 74 224.539 -13.130 -2.732 556 1HA GLY 74 1HA GLY 74 222.805 -15.121 -1.447 557 2HA GLY 74 2HA GLY 74 222.251 -14.369 -2.934 558 H ILE 75 H ILE 75 224.161 -12.477 -0.762 559 HA ILE 75 HA ILE 75 221.753 -11.129 0.260 560 HB ILE 75 HB ILE 75 222.779 -11.535 2.240 561 1HG1 ILE 75 1HG1 ILE 75 223.326 -8.974 1.413 562 2HG1 ILE 75 2HG1 ILE 75 223.553 -9.589 3.043 563 1HG2 ILE 75 1HG2 ILE 75 224.442 -13.018 1.299 564 2HG2 ILE 75 2HG2 ILE 75 225.450 -11.642 0.850 565 3HG2 ILE 75 3HG2 ILE 75 225.155 -12.003 2.551 566 1HD1 ILE 75 1HD1 ILE 75 225.679 -9.521 0.914 567 2HD1 ILE 75 2HD1 ILE 75 225.504 -8.356 2.226 568 3HD1 ILE 75 3HD1 ILE 75 225.884 -10.040 2.586 569 H CYS 76 H CYS 76 221.262 -9.277 -0.688 570 HA CYS 76 HA CYS 76 223.379 -7.792 -2.085 571 1HB CYS 76 1HB CYS 76 221.563 -6.825 -3.448 572 2HB CYS 76 2HB CYS 76 221.624 -8.580 -3.557 573 HG CYS 76 HG CYS 76 219.473 -8.722 -2.155 574 H GLY 77 H GLY 77 223.037 -5.412 -2.263 575 1HA GLY 77 1HA GLY 77 223.469 -3.706 -0.524 576 2HA GLY 77 2HA GLY 77 222.043 -4.320 0.300 577 H VAL 78 H VAL 78 220.975 -2.269 0.262 578 HA VAL 78 HA VAL 78 220.160 -1.520 -2.446 579 HB VAL 78 HB VAL 78 218.531 -1.829 0.010 580 1HG1 VAL 78 1HG1 VAL 78 217.854 0.138 -2.159 581 2HG1 VAL 78 2HG1 VAL 78 216.727 -0.448 -0.939 582 3HG1 VAL 78 3HG1 VAL 78 218.133 0.495 -0.454 583 1HG2 VAL 78 1HG2 VAL 78 218.758 -3.207 -2.325 584 2HG2 VAL 78 2HG2 VAL 78 217.394 -3.298 -1.212 585 3HG2 VAL 78 3HG2 VAL 78 217.325 -2.221 -2.603 586 H LEU 79 H LEU 79 219.924 0.608 -3.014 587 HA LEU 79 HA LEU 79 220.820 2.660 -1.096 588 1HB LEU 79 1HB LEU 79 222.347 1.648 -3.194 589 2HB LEU 79 2HB LEU 79 221.689 3.138 -3.835 590 HG LEU 79 HG LEU 79 223.100 3.073 -1.181 591 1HD1 LEU 79 1HD1 LEU 79 224.285 2.364 -3.598 592 2HD1 LEU 79 2HD1 LEU 79 224.708 4.060 -3.367 593 3HD1 LEU 79 3HD1 LEU 79 225.102 2.875 -2.122 594 1HD2 LEU 79 1HD2 LEU 79 221.708 5.033 -1.811 595 2HD2 LEU 79 2HD2 LEU 79 223.416 5.423 -1.617 596 3HD2 LEU 79 3HD2 LEU 79 222.728 5.258 -3.232 597 H ILE 80 H ILE 80 218.826 3.695 -0.885 598 HA ILE 80 HA ILE 80 217.412 4.422 -3.353 599 HB ILE 80 HB ILE 80 215.963 5.308 -1.052 600 1HG1 ILE 80 1HG1 ILE 80 216.868 2.425 -0.948 601 2HG1 ILE 80 2HG1 ILE 80 217.120 3.665 0.275 602 1HG2 ILE 80 1HG2 ILE 80 215.047 4.757 -3.262 603 2HG2 ILE 80 2HG2 ILE 80 215.417 3.058 -2.982 604 3HG2 ILE 80 3HG2 ILE 80 214.231 3.880 -1.971 605 1HD1 ILE 80 1HD1 ILE 80 214.399 3.650 0.007 606 2HD1 ILE 80 2HD1 ILE 80 214.821 1.951 -0.205 607 3HD1 ILE 80 3HD1 ILE 80 215.315 2.807 1.255 608 H THR 81 H THR 81 217.729 6.350 -4.215 609 HA THR 81 HA THR 81 218.016 8.673 -2.462 610 HB THR 81 HB THR 81 220.301 8.148 -2.963 611 HG1 THR 81 HG1 THR 81 220.645 10.162 -3.372 612 1HG2 THR 81 1HG2 THR 81 219.533 6.926 -5.198 613 2HG2 THR 81 2HG2 THR 81 220.036 8.472 -5.878 614 3HG2 THR 81 3HG2 THR 81 221.174 7.512 -4.933 615 H ASP 82 H ASP 82 217.891 10.764 -3.744 616 HA ASP 82 HA ASP 82 215.505 10.785 -5.251 617 1HB ASP 82 1HB ASP 82 216.523 12.674 -3.847 618 2HB ASP 82 2HB ASP 82 217.553 13.000 -5.237 619 H LYS 83 H LYS 83 215.256 11.631 -7.457 620 HA LYS 83 HA LYS 83 216.717 10.150 -9.337 621 1HB LYS 83 1HB LYS 83 214.414 11.722 -9.363 622 2HB LYS 83 2HB LYS 83 215.500 12.534 -10.483 623 1HG LYS 83 1HG LYS 83 215.844 10.163 -11.474 624 2HG LYS 83 2HG LYS 83 214.341 9.787 -10.630 625 1HD LYS 83 1HD LYS 83 214.535 12.189 -12.411 626 2HD LYS 83 2HD LYS 83 214.237 10.588 -13.090 627 1HE LYS 83 1HE LYS 83 212.076 10.998 -12.704 628 2HE LYS 83 2HE LYS 83 212.450 10.707 -11.006 629 1HZ LYS 83 1HZ LYS 83 212.839 13.082 -10.729 630 2HZ LYS 83 2HZ LYS 83 212.465 13.355 -12.356 631 3HZ LYS 83 3HZ LYS 83 211.273 12.790 -11.298 632 H GLN 84 H GLN 84 217.405 13.207 -7.857 633 HA GLN 84 HA GLN 84 219.260 14.051 -9.923 634 1HB GLN 84 1HB GLN 84 218.582 15.234 -7.226 635 2HB GLN 84 2HB GLN 84 219.702 15.957 -8.373 636 1HG GLN 84 1HG GLN 84 217.015 15.309 -9.403 637 2HG GLN 84 2HG GLN 84 217.110 16.608 -8.217 638 2HE2 GLN 84 2HE2 GLN 84 218.168 15.521 -11.372 639 1HE2 GLN 84 1HE2 GLN 84 218.620 17.078 -11.969 640 H TYR 85 H TYR 85 219.686 11.524 -8.442 641 HA TYR 85 HA TYR 85 222.444 11.978 -7.612 642 1HB TYR 85 1HB TYR 85 221.086 11.747 -5.561 643 2HB TYR 85 2HB TYR 85 220.404 10.251 -6.173 644 HD1 TYR 85 HD1 TYR 85 222.506 11.412 -3.789 645 HD2 TYR 85 HD2 TYR 85 222.542 8.587 -6.968 646 HE1 TYR 85 HE1 TYR 85 224.233 10.109 -2.620 647 HE2 TYR 85 HE2 TYR 85 224.271 7.294 -5.818 648 HH TYR 85 HH TYR 85 224.919 7.087 -3.142 649 HA PRO 86 HA PRO 86 222.156 9.239 -11.268 650 1HB PRO 86 1HB PRO 86 225.081 9.562 -10.774 651 2HB PRO 86 2HB PRO 86 224.186 9.583 -12.297 652 1HG PRO 86 1HG PRO 86 224.992 11.853 -11.196 653 2HG PRO 86 2HG PRO 86 223.389 11.737 -11.948 654 1HD PRO 86 1HD PRO 86 224.132 11.802 -9.068 655 2HD PRO 86 2HD PRO 86 222.685 12.435 -9.877 656 H VAL 87 H VAL 87 222.901 7.126 -11.771 657 HA VAL 87 HA VAL 87 222.950 5.377 -9.501 658 HB VAL 87 HB VAL 87 223.555 4.365 -12.249 659 1HG1 VAL 87 1HG1 VAL 87 222.882 3.233 -9.788 660 2HG1 VAL 87 2HG1 VAL 87 221.448 3.050 -10.797 661 3HG1 VAL 87 3HG1 VAL 87 222.999 2.417 -11.347 662 1HG2 VAL 87 1HG2 VAL 87 221.137 5.871 -11.508 663 2HG2 VAL 87 2HG2 VAL 87 221.824 5.533 -13.096 664 3HG2 VAL 87 3HG2 VAL 87 220.846 4.313 -12.281 665 H ARG 88 H ARG 88 225.368 6.724 -11.625 666 HA ARG 88 HA ARG 88 227.413 4.860 -11.377 667 1HB ARG 88 1HB ARG 88 227.751 7.858 -11.504 668 2HB ARG 88 2HB ARG 88 228.946 6.647 -11.950 669 1HG ARG 88 1HG ARG 88 226.428 6.291 -13.344 670 2HG ARG 88 2HG ARG 88 227.154 7.872 -13.636 671 1HD ARG 88 1HD ARG 88 228.957 5.530 -13.762 672 2HD ARG 88 2HD ARG 88 227.769 5.681 -15.055 673 HE ARG 88 HE ARG 88 230.081 7.339 -14.610 674 1HH1 ARG 88 1HH1 ARG 88 226.927 7.164 -16.128 675 2HH1 ARG 88 2HH1 ARG 88 227.290 8.383 -17.301 676 1HH2 ARG 88 1HH2 ARG 88 230.549 8.946 -16.158 677 2HH2 ARG 88 2HH2 ARG 88 229.345 9.395 -17.319 678 HA PRO 89 HA PRO 89 229.004 7.096 -7.405 679 1HB PRO 89 1HB PRO 89 227.225 8.703 -6.088 680 2HB PRO 89 2HB PRO 89 228.381 9.317 -7.276 681 1HG PRO 89 1HG PRO 89 225.481 8.657 -7.620 682 2HG PRO 89 2HG PRO 89 226.391 10.049 -8.234 683 1HD PRO 89 1HD PRO 89 225.779 7.935 -9.793 684 2HD PRO 89 2HD PRO 89 227.287 8.849 -9.993 685 H ALA 90 H ALA 90 225.613 6.194 -7.721 686 HA ALA 90 HA ALA 90 225.365 5.090 -5.097 687 1HB ALA 90 1HB ALA 90 223.469 5.735 -6.742 688 2HB ALA 90 2HB ALA 90 223.770 4.159 -7.475 689 3HB ALA 90 3HB ALA 90 223.277 4.266 -5.785 690 H TYR 91 H TYR 91 226.602 4.068 -8.198 691 HA TYR 91 HA TYR 91 226.791 1.288 -7.628 692 1HB TYR 91 1HB TYR 91 227.004 2.495 -9.920 693 2HB TYR 91 2HB TYR 91 228.670 2.796 -9.446 694 HD1 TYR 91 HD1 TYR 91 226.877 0.832 -11.501 695 HD2 TYR 91 HD2 TYR 91 229.656 0.392 -8.310 696 HE1 TYR 91 HE1 TYR 91 227.515 -1.379 -12.366 697 HE2 TYR 91 HE2 TYR 91 230.298 -1.819 -9.164 698 HH TYR 91 HH TYR 91 230.056 -2.882 -11.886 699 H THR 92 H THR 92 229.001 4.070 -7.380 700 HA THR 92 HA THR 92 231.225 2.697 -6.337 701 HB THR 92 HB THR 92 230.440 5.531 -5.701 702 HG1 THR 92 HG1 THR 92 230.491 5.776 -7.789 703 1HG2 THR 92 1HG2 THR 92 233.125 4.210 -5.960 704 2HG2 THR 92 2HG2 THR 92 232.867 5.946 -5.788 705 3HG2 THR 92 3HG2 THR 92 232.390 4.851 -4.491 706 H LEU 93 H LEU 93 228.481 4.300 -4.766 707 HA LEU 93 HA LEU 93 229.369 3.915 -2.132 708 1HB LEU 93 1HB LEU 93 227.478 5.443 -3.074 709 2HB LEU 93 2HB LEU 93 226.467 4.040 -2.797 710 HG LEU 93 HG LEU 93 228.122 5.379 -0.661 711 1HD1 LEU 93 1HD1 LEU 93 226.399 6.887 -1.461 712 2HD1 LEU 93 2HD1 LEU 93 225.182 5.630 -1.251 713 3HD1 LEU 93 3HD1 LEU 93 226.013 6.295 0.155 714 1HD2 LEU 93 1HD2 LEU 93 226.167 3.106 -0.670 715 2HD2 LEU 93 2HD2 LEU 93 227.767 3.195 0.064 716 3HD2 LEU 93 3HD2 LEU 93 226.420 4.078 0.780 717 H LEU 94 H LEU 94 227.022 2.092 -4.074 718 HA LEU 94 HA LEU 94 226.694 0.079 -2.104 719 1HB LEU 94 1HB LEU 94 225.449 0.727 -4.507 720 2HB LEU 94 2HB LEU 94 226.171 -0.842 -4.802 721 HG LEU 94 HG LEU 94 223.809 -0.941 -4.013 722 1HD1 LEU 94 1HD1 LEU 94 225.771 -2.653 -3.519 723 2HD1 LEU 94 2HD1 LEU 94 225.391 -2.214 -1.855 724 3HD1 LEU 94 3HD1 LEU 94 224.139 -2.889 -2.896 725 1HD2 LEU 94 1HD2 LEU 94 224.779 0.864 -2.045 726 2HD2 LEU 94 2HD2 LEU 94 223.135 0.281 -2.292 727 3HD2 LEU 94 3HD2 LEU 94 224.232 -0.600 -1.231 728 H ASN 95 H ASN 95 229.288 0.843 -4.101 729 HA ASN 95 HA ASN 95 230.212 -1.850 -4.611 730 1HB ASN 95 1HB ASN 95 230.819 0.384 -5.874 731 2HB ASN 95 2HB ASN 95 232.046 0.526 -4.622 732 2HD2 ASN 95 2HD2 ASN 95 231.622 -0.406 -7.672 733 1HD2 ASN 95 1HD2 ASN 95 232.813 -1.651 -7.795 734 H LYS 96 H LYS 96 231.195 0.811 -2.471 735 HA LYS 96 HA LYS 96 233.083 -0.707 -1.004 736 1HB LYS 96 1HB LYS 96 231.848 1.969 -0.794 737 2HB LYS 96 2HB LYS 96 232.416 1.279 0.720 738 1HG LYS 96 1HG LYS 96 234.330 2.297 0.108 739 2HG LYS 96 2HG LYS 96 234.564 0.798 -0.791 740 1HD LYS 96 1HD LYS 96 233.820 1.798 -2.816 741 2HD LYS 96 2HD LYS 96 233.239 3.233 -1.969 742 1HE LYS 96 1HE LYS 96 235.274 3.870 -2.970 743 2HE LYS 96 2HE LYS 96 235.644 3.618 -1.265 744 1HZ LYS 96 1HZ LYS 96 236.117 1.607 -3.400 745 2HZ LYS 96 2HZ LYS 96 237.302 2.642 -2.779 746 3HZ LYS 96 3HZ LYS 96 236.582 1.486 -1.777 747 H ILE 97 H ILE 97 229.635 -0.017 -0.541 748 HA ILE 97 HA ILE 97 229.373 -0.998 2.068 749 HB ILE 97 HB ILE 97 227.762 0.378 0.713 750 1HG1 ILE 97 1HG1 ILE 97 226.708 -1.990 2.237 751 2HG1 ILE 97 2HG1 ILE 97 227.116 -0.401 2.890 752 1HG2 ILE 97 1HG2 ILE 97 227.696 -1.122 -1.237 753 2HG2 ILE 97 2HG2 ILE 97 226.766 -2.267 -0.275 754 3HG2 ILE 97 3HG2 ILE 97 226.108 -0.671 -0.630 755 1HD1 ILE 97 1HD1 ILE 97 225.368 0.574 1.437 756 2HD1 ILE 97 2HD1 ILE 97 224.907 -1.063 0.971 757 3HD1 ILE 97 3HD1 ILE 97 224.749 -0.548 2.649 758 H LEU 98 H LEU 98 228.662 -2.646 -1.034 759 HA LEU 98 HA LEU 98 228.000 -5.114 0.132 760 1HB LEU 98 1HB LEU 98 228.363 -4.092 -2.518 761 2HB LEU 98 2HB LEU 98 229.186 -5.635 -2.389 762 HG LEU 98 HG LEU 98 227.194 -6.792 -1.893 763 1HD1 LEU 98 1HD1 LEU 98 226.122 -4.096 -1.185 764 2HD1 LEU 98 2HD1 LEU 98 225.017 -5.382 -1.669 765 3HD1 LEU 98 3HD1 LEU 98 226.069 -5.604 -0.272 766 1HD2 LEU 98 1HD2 LEU 98 227.408 -6.103 -4.243 767 2HD2 LEU 98 2HD2 LEU 98 225.725 -6.266 -3.744 768 3HD2 LEU 98 3HD2 LEU 98 226.448 -4.665 -3.895 769 H ASP 99 H ASP 99 231.111 -3.883 -1.071 770 HA ASP 99 HA ASP 99 232.582 -6.254 -0.491 771 1HB ASP 99 1HB ASP 99 233.309 -3.411 -1.116 772 2HB ASP 99 2HB ASP 99 234.545 -4.500 -0.495 773 H GLU 100 H GLU 100 231.590 -3.452 1.289 774 HA GLU 100 HA GLU 100 233.291 -3.771 3.533 775 1HB GLU 100 1HB GLU 100 232.308 -1.632 3.091 776 2HB GLU 100 2HB GLU 100 230.690 -2.307 3.147 777 1HG GLU 100 1HG GLU 100 231.114 -1.091 5.172 778 2HG GLU 100 2HG GLU 100 231.020 -2.811 5.544 779 H TYR 101 H TYR 101 230.067 -4.949 2.659 780 HA TYR 101 HA TYR 101 229.464 -6.053 5.191 781 1HB TYR 101 1HB TYR 101 227.812 -5.678 3.274 782 2HB TYR 101 2HB TYR 101 228.416 -7.203 2.619 783 HD1 TYR 101 HD1 TYR 101 226.840 -5.680 5.615 784 HD2 TYR 101 HD2 TYR 101 227.674 -9.269 3.491 785 HE1 TYR 101 HE1 TYR 101 225.393 -6.924 7.164 786 HE2 TYR 101 HE2 TYR 101 226.221 -10.522 5.028 787 HH TYR 101 HH TYR 101 225.446 -10.079 7.600 788 H LEU 102 H LEU 102 231.254 -7.211 2.380 789 HA LEU 102 HA LEU 102 231.487 -9.910 3.316 790 1HB LEU 102 1HB LEU 102 233.637 -8.935 1.558 791 2HB LEU 102 2HB LEU 102 232.643 -10.369 1.429 792 HG LEU 102 HG LEU 102 231.783 -7.593 0.626 793 1HD1 LEU 102 1HD1 LEU 102 232.700 -9.936 -1.025 794 2HD1 LEU 102 2HD1 LEU 102 231.975 -8.463 -1.669 795 3HD1 LEU 102 3HD1 LEU 102 233.526 -8.390 -0.833 796 1HD2 LEU 102 1HD2 LEU 102 229.958 -9.121 1.360 797 2HD2 LEU 102 2HD2 LEU 102 229.853 -8.645 -0.334 798 3HD2 LEU 102 3HD2 LEU 102 230.456 -10.245 0.096 799 H VAL 103 H VAL 103 233.256 -6.961 3.936 800 HA VAL 103 HA VAL 103 235.565 -8.320 4.964 801 HB VAL 103 HB VAL 103 234.769 -5.432 4.882 802 1HG1 VAL 103 1HG1 VAL 103 236.952 -6.704 6.506 803 2HG1 VAL 103 2HG1 VAL 103 237.072 -5.037 5.942 804 3HG1 VAL 103 3HG1 VAL 103 235.751 -5.515 7.008 805 1HG2 VAL 103 1HG2 VAL 103 235.755 -6.484 2.878 806 2HG2 VAL 103 2HG2 VAL 103 236.775 -5.207 3.540 807 3HG2 VAL 103 3HG2 VAL 103 237.185 -6.899 3.823 808 H ALA 104 H ALA 104 232.966 -6.393 6.474 809 HA ALA 104 HA ALA 104 233.715 -6.496 9.099 810 1HB ALA 104 1HB ALA 104 231.740 -5.318 8.502 811 2HB ALA 104 2HB ALA 104 230.963 -6.787 7.911 812 3HB ALA 104 3HB ALA 104 231.257 -6.578 9.638 813 H HIS 105 H HIS 105 232.697 -9.107 7.089 814 HA HIS 105 HA HIS 105 233.577 -11.086 8.889 815 1HB HIS 105 1HB HIS 105 231.212 -12.238 8.850 816 2HB HIS 105 2HB HIS 105 231.578 -11.036 10.079 817 HD1 HIS 105 HD1 HIS 105 228.745 -11.209 9.846 818 HD2 HIS 105 HD2 HIS 105 230.898 -9.026 7.034 819 HE1 HIS 105 HE1 HIS 105 227.083 -9.640 8.800 820 HE2 HIS 105 HE2 HIS 105 228.429 -8.257 7.179 821 HA PRO 106 HA PRO 106 234.687 -13.020 5.055 822 1HB PRO 106 1HB PRO 106 233.519 -15.376 6.500 823 2HB PRO 106 2HB PRO 106 235.008 -15.269 5.553 824 1HG PRO 106 1HG PRO 106 234.992 -15.134 8.255 825 2HG PRO 106 2HG PRO 106 236.182 -14.281 7.259 826 1HD PRO 106 1HD PRO 106 234.024 -13.184 8.887 827 2HD PRO 106 2HD PRO 106 235.381 -12.343 8.116 828 H LYS 107 H LYS 107 233.799 -13.745 3.178 829 HA LYS 107 HA LYS 107 231.276 -13.038 2.441 830 1HB LYS 107 1HB LYS 107 233.428 -14.554 1.279 831 2HB LYS 107 2HB LYS 107 231.881 -15.247 0.816 832 1HG LYS 107 1HG LYS 107 231.200 -12.875 0.175 833 2HG LYS 107 2HG LYS 107 232.915 -12.480 0.305 834 1HD LYS 107 1HD LYS 107 232.286 -14.883 -1.280 835 2HD LYS 107 2HD LYS 107 231.719 -13.358 -1.961 836 1HE LYS 107 1HE LYS 107 233.829 -13.493 -2.865 837 2HE LYS 107 2HE LYS 107 234.139 -12.544 -1.412 838 1HZ LYS 107 1HZ LYS 107 234.494 -15.487 -1.585 839 2HZ LYS 107 2HZ LYS 107 235.746 -14.365 -1.778 840 3HZ LYS 107 3HZ LYS 107 234.938 -14.484 -0.297 841 H GLU 108 H GLU 108 232.271 -16.335 3.367 842 HA GLU 108 HA GLU 108 229.614 -17.363 3.119 843 1HB GLU 108 1HB GLU 108 232.252 -18.438 3.959 844 2HB GLU 108 2HB GLU 108 230.826 -19.280 4.550 845 1HG GLU 108 1HG GLU 108 230.041 -19.446 2.187 846 2HG GLU 108 2HG GLU 108 231.599 -18.790 1.686 847 H GLU 109 H GLU 109 231.416 -15.906 5.738 848 HA GLU 109 HA GLU 109 230.263 -16.914 7.997 849 1HB GLU 109 1HB GLU 109 231.970 -15.193 8.096 850 2HB GLU 109 2HB GLU 109 230.868 -14.015 7.396 851 1HG GLU 109 1HG GLU 109 230.122 -13.471 9.397 852 2HG GLU 109 2HG GLU 109 229.646 -15.139 9.703 853 H TRP 110 H TRP 110 228.857 -14.497 5.815 854 HA TRP 110 HA TRP 110 226.364 -14.544 7.345 855 1HB TRP 110 1HB TRP 110 225.804 -12.842 5.344 856 2HB TRP 110 2HB TRP 110 226.566 -12.345 6.843 857 HD1 TRP 110 HD1 TRP 110 229.082 -11.540 6.721 858 HE1 TRP 110 HE1 TRP 110 230.575 -10.828 4.758 859 HE3 TRP 110 HE3 TRP 110 226.364 -13.483 2.858 860 HZ2 TRP 110 HZ2 TRP 110 230.613 -11.062 1.956 861 HZ3 TRP 110 HZ3 TRP 110 227.197 -13.195 0.567 862 HH2 TRP 110 HH2 TRP 110 229.284 -12.012 0.125 863 H ALA 111 H ALA 111 227.508 -14.969 4.021 864 HA ALA 111 HA ALA 111 226.474 -15.845 2.171 865 1HB ALA 111 1HB ALA 111 226.103 -18.272 2.428 866 2HB ALA 111 2HB ALA 111 227.615 -17.738 3.161 867 3HB ALA 111 3HB ALA 111 226.218 -18.086 4.179 868 H ASP 112 H ASP 112 224.716 -14.158 2.946 869 HA ASP 112 HA ASP 112 222.540 -13.721 2.254 870 1HB ASP 112 1HB ASP 112 222.010 -16.607 2.960 871 2HB ASP 112 2HB ASP 112 220.717 -15.460 2.673 872 H VAL 113 H VAL 113 223.300 -15.423 5.214 873 HA VAL 113 HA VAL 113 222.845 -15.010 7.374 874 HB VAL 113 HB VAL 113 221.892 -12.284 7.168 875 1HG1 VAL 113 1HG1 VAL 113 224.377 -13.520 8.325 876 2HG1 VAL 113 2HG1 VAL 113 223.821 -11.873 8.620 877 3HG1 VAL 113 3HG1 VAL 113 222.854 -13.241 9.169 878 1HG2 VAL 113 1HG2 VAL 113 224.136 -13.067 5.436 879 2HG2 VAL 113 2HG2 VAL 113 223.020 -11.708 5.314 880 3HG2 VAL 113 3HG2 VAL 113 224.377 -11.636 6.436 881 H THR 114 H THR 114 221.125 -16.123 8.015 882 HA THR 114 HA THR 114 218.455 -15.368 7.202 883 HB THR 114 HB THR 114 217.783 -17.258 8.743 884 HG1 THR 114 HG1 THR 114 219.366 -17.541 10.160 885 1HG2 THR 114 1HG2 THR 114 218.131 -17.686 6.364 886 2HG2 THR 114 2HG2 THR 114 219.840 -17.993 6.675 887 3HG2 THR 114 3HG2 THR 114 218.613 -19.058 7.361 888 H GLU 115 H GLU 115 220.454 -13.827 9.174 889 HA GLU 115 HA GLU 115 218.331 -12.734 10.772 890 1HB GLU 115 1HB GLU 115 219.531 -13.209 12.939 891 2HB GLU 115 2HB GLU 115 218.734 -14.580 12.183 892 1HG GLU 115 1HG GLU 115 220.632 -15.716 12.033 893 2HG GLU 115 2HG GLU 115 221.483 -14.345 11.324 894 H THR 116 H THR 116 218.851 -10.710 10.001 895 HA THR 116 HA THR 116 221.254 -9.504 11.080 896 HB THR 116 HB THR 116 220.578 -8.763 8.294 897 HG1 THR 116 HG1 THR 116 220.962 -10.652 7.519 898 1HG2 THR 116 1HG2 THR 116 222.653 -8.288 10.068 899 2HG2 THR 116 2HG2 THR 116 223.311 -9.355 8.830 900 3HG2 THR 116 3HG2 THR 116 222.554 -7.830 8.368 901 H ASN 117 H ASN 117 221.209 -7.059 10.589 902 HA ASN 117 HA ASN 117 218.936 -5.625 9.953 903 1HB ASN 117 1HB ASN 117 218.404 -6.959 12.294 904 2HB ASN 117 2HB ASN 117 219.001 -5.414 12.890 905 2HD2 ASN 117 2HD2 ASN 117 216.801 -6.687 10.403 906 1HD2 ASN 117 1HD2 ASN 117 215.576 -5.493 10.641 907 H ASP 118 H ASP 118 218.998 -3.350 11.179 908 HA ASP 118 HA ASP 118 221.435 -2.155 10.560 909 1HB ASP 118 1HB ASP 118 219.218 -0.989 10.811 910 2HB ASP 118 2HB ASP 118 219.440 -1.074 12.556 911 H ALA 119 H ALA 119 220.632 -4.009 13.313 912 HA ALA 119 HA ALA 119 222.076 -2.905 15.387 913 1HB ALA 119 1HB ALA 119 221.788 -5.829 14.696 914 2HB ALA 119 2HB ALA 119 220.681 -4.871 15.679 915 3HB ALA 119 3HB ALA 119 222.316 -5.196 16.255 916 H LEU 120 H LEU 120 223.256 -5.125 12.857 917 HA LEU 120 HA LEU 120 225.940 -5.209 13.701 918 1HB LEU 120 1HB LEU 120 224.583 -5.668 11.058 919 2HB LEU 120 2HB LEU 120 226.331 -5.701 11.175 920 HG LEU 120 HG LEU 120 225.940 -7.458 13.050 921 1HD1 LEU 120 1HD1 LEU 120 223.267 -7.337 11.701 922 2HD1 LEU 120 2HD1 LEU 120 223.858 -8.827 12.436 923 3HD1 LEU 120 3HD1 LEU 120 223.642 -7.382 13.423 924 1HD2 LEU 120 1HD2 LEU 120 226.977 -7.910 10.871 925 2HD2 LEU 120 2HD2 LEU 120 225.958 -9.246 11.405 926 3HD2 LEU 120 3HD2 LEU 120 225.377 -8.135 10.164 927 H LYS 121 H LYS 121 224.251 -3.135 11.372 928 HA LYS 121 HA LYS 121 224.704 -1.095 10.502 929 1HB LYS 121 1HB LYS 121 225.541 -1.003 13.197 930 2HB LYS 121 2HB LYS 121 226.780 -0.174 12.265 931 1HG LYS 121 1HG LYS 121 225.489 1.607 11.982 932 2HG LYS 121 2HG LYS 121 224.134 0.623 11.425 933 1HD LYS 121 1HD LYS 121 223.333 1.682 13.355 934 2HD LYS 121 2HD LYS 121 223.766 0.060 13.895 935 1HE LYS 121 1HE LYS 121 225.947 2.008 14.067 936 2HE LYS 121 2HE LYS 121 224.561 2.385 15.089 937 1HZ LYS 121 1HZ LYS 121 224.719 0.117 16.000 938 2HZ LYS 121 2HZ LYS 121 226.119 -0.145 15.087 939 3HZ LYS 121 3HZ LYS 121 226.108 1.034 16.301 940 H MET 122 H MET 122 226.675 0.436 9.900 941 HA MET 122 HA MET 122 229.152 -0.861 9.309 942 1HB MET 122 1HB MET 122 227.005 -1.144 7.424 943 2HB MET 122 2HB MET 122 228.264 -0.147 6.712 944 1HG MET 122 1HG MET 122 229.828 -1.841 6.784 945 2HG MET 122 2HG MET 122 228.966 -2.724 8.043 946 1HE MET 122 1HE MET 122 228.966 -1.346 4.620 947 2HE MET 122 2HE MET 122 229.382 -2.910 3.925 948 3HE MET 122 3HE MET 122 227.766 -2.252 3.698 949 H LYS 123 H LYS 123 230.359 0.851 9.926 950 HA LYS 123 HA LYS 123 229.758 3.525 9.852 951 1HB LYS 123 1HB LYS 123 232.100 1.956 10.278 952 2HB LYS 123 2HB LYS 123 232.532 3.295 9.223 953 1HG LYS 123 1HG LYS 123 232.047 4.885 10.814 954 2HG LYS 123 2HG LYS 123 230.943 3.823 11.691 955 1HD LYS 123 1HD LYS 123 233.012 2.414 12.224 956 2HD LYS 123 2HD LYS 123 233.949 3.806 11.677 957 1HE LYS 123 1HE LYS 123 233.807 4.194 13.948 958 2HE LYS 123 2HE LYS 123 232.447 5.133 13.335 959 1HZ LYS 123 1HZ LYS 123 232.268 2.393 14.472 960 2HZ LYS 123 2HZ LYS 123 231.844 3.817 15.279 961 3HZ LYS 123 3HZ LYS 123 230.967 3.324 13.919 962 H GLN 124 H GLN 124 230.885 1.511 7.221 963 HA GLN 124 HA GLN 124 231.567 3.554 5.391 964 1HB GLN 124 1HB GLN 124 231.527 0.736 5.447 965 2HB GLN 124 2HB GLN 124 230.557 1.222 4.066 966 1HG GLN 124 1HG GLN 124 232.929 0.827 3.511 967 2HG GLN 124 2HG GLN 124 232.382 2.459 3.133 968 2HE2 GLN 124 2HE2 GLN 124 234.367 3.422 3.212 969 1HE2 GLN 124 1HE2 GLN 124 235.290 3.587 4.662 970 H LEU 125 H LEU 125 228.804 1.330 5.117 971 HA LEU 125 HA LEU 125 227.364 2.777 3.268 972 1HB LEU 125 1HB LEU 125 226.009 1.033 3.398 973 2HB LEU 125 2HB LEU 125 227.008 0.425 4.699 974 HG LEU 125 HG LEU 125 224.901 2.336 5.510 975 1HD1 LEU 125 1HD1 LEU 125 223.818 0.982 3.720 976 2HD1 LEU 125 2HD1 LEU 125 224.159 -0.455 4.683 977 3HD1 LEU 125 3HD1 LEU 125 223.100 0.802 5.321 978 1HD2 LEU 125 1HD2 LEU 125 226.411 1.123 7.070 979 2HD2 LEU 125 2HD2 LEU 125 224.698 0.845 7.372 980 3HD2 LEU 125 3HD2 LEU 125 225.660 -0.384 6.553 981 H ASP 126 H ASP 126 227.506 3.244 6.739 982 HA ASP 126 HA ASP 126 225.193 4.958 6.825 983 1HB ASP 126 1HB ASP 126 227.404 4.592 8.853 984 2HB ASP 126 2HB ASP 126 225.914 5.487 9.129 985 H THR 127 H THR 127 228.687 5.602 7.195 986 HA THR 127 HA THR 127 228.432 8.411 7.184 987 HB THR 127 HB THR 127 230.805 6.688 6.436 988 HG1 THR 127 HG1 THR 127 230.639 6.301 8.504 989 1HG2 THR 127 1HG2 THR 127 230.639 9.624 7.036 990 2HG2 THR 127 2HG2 THR 127 232.130 8.693 7.173 991 3HG2 THR 127 3HG2 THR 127 231.320 8.835 5.613 992 H TYR 128 H TYR 128 228.566 6.053 4.609 993 HA TYR 128 HA TYR 128 229.246 7.861 2.524 994 1HB TYR 128 1HB TYR 128 228.179 5.067 2.649 995 2HB TYR 128 2HB TYR 128 228.100 5.942 1.125 996 HD1 TYR 128 HD1 TYR 128 230.803 6.133 3.673 997 HD2 TYR 128 HD2 TYR 128 229.653 4.748 -0.183 998 HE1 TYR 128 HE1 TYR 128 233.134 5.518 3.203 999 HE2 TYR 128 HE2 TYR 128 231.981 4.131 -0.661 1000 HH TYR 128 HH TYR 128 234.423 5.140 0.466 1001 H ILE 129 H ILE 129 226.149 6.307 3.406 1002 HA ILE 129 HA ILE 129 224.531 7.693 1.638 1003 HB ILE 129 HB ILE 129 223.777 5.733 2.870 1004 1HG1 ILE 129 1HG1 ILE 129 222.281 7.895 2.163 1005 2HG1 ILE 129 2HG1 ILE 129 221.594 6.393 2.767 1006 1HG2 ILE 129 1HG2 ILE 129 223.846 7.530 5.276 1007 2HG2 ILE 129 2HG2 ILE 129 223.050 5.962 5.221 1008 3HG2 ILE 129 3HG2 ILE 129 224.792 6.071 5.001 1009 1HD1 ILE 129 1HD1 ILE 129 222.354 8.668 4.549 1010 2HD1 ILE 129 2HD1 ILE 129 220.756 8.490 3.827 1011 3HD1 ILE 129 3HD1 ILE 129 221.364 7.260 4.935 1012 H SER 130 H SER 130 225.829 8.704 4.735 1013 HA SER 130 HA SER 130 224.057 10.891 5.125 1014 1HB SER 130 1HB SER 130 225.295 9.830 6.967 1015 2HB SER 130 2HB SER 130 226.807 10.425 6.283 1016 HG SER 130 HG SER 130 224.786 11.803 7.623 1017 H LYS 131 H LYS 131 227.406 10.706 3.941 1018 HA LYS 131 HA LYS 131 227.416 13.522 3.297 1019 1HB LYS 131 1HB LYS 131 229.669 13.344 3.081 1020 2HB LYS 131 2HB LYS 131 229.394 11.901 4.043 1021 1HG LYS 131 1HG LYS 131 229.132 11.282 1.250 1022 2HG LYS 131 2HG LYS 131 230.665 12.093 1.559 1023 1HD LYS 131 1HD LYS 131 230.331 10.249 3.639 1024 2HD LYS 131 2HD LYS 131 229.861 9.406 2.162 1025 1HE LYS 131 1HE LYS 131 232.053 10.451 1.208 1026 2HE LYS 131 2HE LYS 131 232.494 10.608 2.907 1027 1HZ LYS 131 1HZ LYS 131 232.111 8.214 3.160 1028 2HZ LYS 131 2HZ LYS 131 231.776 8.090 1.506 1029 3HZ LYS 131 3HZ LYS 131 233.321 8.544 2.024 1030 H TYR 132 H TYR 132 226.870 10.526 1.563 1031 HA TYR 132 HA TYR 132 227.346 11.505 -1.034 1032 1HB TYR 132 1HB TYR 132 226.110 9.092 0.097 1033 2HB TYR 132 2HB TYR 132 225.550 9.542 -1.507 1034 HD1 TYR 132 HD1 TYR 132 226.990 9.354 -3.431 1035 HD2 TYR 132 HD2 TYR 132 228.510 8.551 0.461 1036 HE1 TYR 132 HE1 TYR 132 228.990 8.331 -4.423 1037 HE2 TYR 132 HE2 TYR 132 230.512 7.530 -0.523 1038 HH TYR 132 HH TYR 132 231.654 7.973 -3.250 1039 H GLN 133 H GLN 133 224.866 12.292 1.119 1040 HA GLN 133 HA GLN 133 222.543 12.562 -0.224 1041 1HB GLN 133 1HB GLN 133 223.900 14.142 1.830 1042 2HB GLN 133 2HB GLN 133 222.725 15.063 0.903 1043 1HG GLN 133 1HG GLN 133 221.354 12.764 1.456 1044 2HG GLN 133 2HG GLN 133 222.325 12.987 2.909 1045 2HE2 GLN 133 2HE2 GLN 133 219.379 13.480 1.837 1046 1HE2 GLN 133 1HE2 GLN 133 218.974 14.969 2.614 1047 H ASP 134 H ASP 134 225.421 14.498 -0.818 1048 HA ASP 134 HA ASP 134 224.280 16.427 -2.518 1049 1HB ASP 134 1HB ASP 134 226.891 15.672 -1.594 1050 2HB ASP 134 2HB ASP 134 226.963 15.987 -3.322 1051 HA PRO 135 HA PRO 135 223.898 14.839 -6.623 1052 1HB PRO 135 1HB PRO 135 226.150 15.440 -8.102 1053 2HB PRO 135 2HB PRO 135 224.785 16.526 -7.823 1054 1HG PRO 135 1HG PRO 135 227.385 16.336 -6.358 1055 2HG PRO 135 2HG PRO 135 226.520 17.781 -6.921 1056 1HD PRO 135 1HD PRO 135 226.389 17.090 -4.381 1057 2HD PRO 135 2HD PRO 135 224.914 17.620 -5.212 1058 H SER 136 H SER 136 227.349 14.152 -5.796 1059 HA SER 136 HA SER 136 226.818 11.349 -6.434 1060 1HB SER 136 1HB SER 136 228.768 13.078 -7.934 1061 2HB SER 136 2HB SER 136 228.916 11.321 -7.893 1062 HG SER 136 HG SER 136 227.005 12.925 -9.140 1063 H GLN 137 H GLN 137 229.151 13.691 -5.129 1064 HA GLN 137 HA GLN 137 230.808 13.466 -3.584 1065 1HB GLN 137 1HB GLN 137 229.047 11.164 -3.020 1066 2HB GLN 137 2HB GLN 137 230.703 10.987 -2.462 1067 1HG GLN 137 1HG GLN 137 229.208 11.900 -0.746 1068 2HG GLN 137 2HG GLN 137 230.525 13.000 -1.157 1069 2HE2 GLN 137 2HE2 GLN 137 227.471 12.316 -2.810 1070 1HE2 GLN 137 1HE2 GLN 137 226.882 13.931 -2.761 1071 H ALA 138 H ALA 138 231.161 12.834 -6.307 1072 HA ALA 138 HA ALA 138 232.684 10.452 -6.636 1073 1HB ALA 138 1HB ALA 138 231.408 11.429 -8.473 1074 2HB ALA 138 2HB ALA 138 233.116 11.273 -8.886 1075 3HB ALA 138 3HB ALA 138 232.455 12.849 -8.447 1076 H ASP 139 H ASP 139 233.922 11.452 -4.552 1077 HA ASP 139 HA ASP 139 235.917 12.071 -3.672 1078 1HB ASP 139 1HB ASP 139 236.614 10.534 -5.684 1079 2HB ASP 139 2HB ASP 139 237.192 12.041 -6.386 1080 H ALA 140 H ALA 140 234.484 14.161 -3.688 1081 HA ALA 140 HA ALA 140 236.061 16.308 -4.956 1082 1HB ALA 140 1HB ALA 140 233.097 16.291 -4.394 1083 2HB ALA 140 2HB ALA 140 234.009 17.652 -5.047 1084 3HB ALA 140 3HB ALA 140 233.861 16.161 -5.978 No H/Q in entry = 1084
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