data_15676_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15676 _Entry.PDB_ID 2K1D _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 16 . 1 1 1 A 41 41 GLY H H 126 8.484 8.545 -0.061 1 1 17 . 1 1 1 A 41 41 GLY HA2 H 126 3.861 3.905 -0.044 1 1 18 . 1 1 1 A 41 41 GLY HA3 H 126 3.920 3.911 0.009 1 1 19 . 1 1 1 A 41 41 GLY CA C 126 46.260 46.449 -0.189 1 1 20 . 1 1 1 A 41 41 GLY N N 126 109.470 113.112 -3.642 1 1 21 . 1 1 1 A 42 42 GLY H H 127 8.326 7.796 0.530 1 1 22 . 1 1 1 A 42 42 GLY HA2 H 127 3.749 4.016 -0.267 1 1 23 . 1 1 1 A 42 42 GLY HA3 H 127 3.900 4.020 -0.120 1 1 24 . 1 1 1 A 42 42 GLY CA C 127 45.226 45.351 -0.125 1 1 25 . 1 1 1 A 42 42 GLY N N 127 109.020 106.231 2.789 1 1 26 . 1 1 1 A 43 43 TYR H H 128 7.692 7.871 -0.179 1 1 27 . 1 1 1 A 43 43 TYR HA H 128 4.675 4.234 0.441 1 1 34 . 1 1 1 A 43 43 TYR CA C 128 57.271 58.716 -1.445 1 1 35 . 1 1 1 A 43 43 TYR CB C 128 40.257 37.893 2.364 1 1 38 . 1 1 1 A 43 43 TYR N N 128 117.301 119.870 -2.569 1 1 39 . 1 1 1 A 44 44 VAL H H 129 8.974 8.705 0.269 1 1 40 . 1 1 1 A 44 44 VAL HA H 129 4.344 4.482 -0.138 1 1 48 . 1 1 1 A 44 44 VAL CA C 129 59.555 62.080 -2.525 1 1 49 . 1 1 1 A 44 44 VAL CB C 129 34.728 32.165 2.563 1 1 52 . 1 1 1 A 44 44 VAL N N 129 118.589 124.772 -6.183 1 1 53 . 1 1 1 A 45 45 LEU H H 130 8.029 8.873 -0.844 1 1 62 . 1 1 1 A 45 45 LEU N N 130 123.350 127.356 -4.006 1 1 63 . 1 1 1 A 46 46 GLY H H 131 9.278 8.504 0.774 1 1 64 . 1 1 1 A 46 46 GLY CA C 131 44.842 45.685 -0.843 1 1 65 . 1 1 1 A 46 46 GLY N N 131 114.623 111.635 2.988 1 1 66 . 1 1 1 A 47 47 SER H H 132 8.315 8.187 0.128 1 1 67 . 1 1 1 A 47 47 SER HA H 132 4.438 4.566 -0.128 1 1 70 . 1 1 1 A 47 47 SER CA C 132 58.520 58.761 -0.241 1 1 71 . 1 1 1 A 47 47 SER CB C 132 64.166 62.642 1.524 1 1 72 . 1 1 1 A 47 47 SER N N 132 113.038 114.583 -1.545 1 1 73 . 1 1 1 A 48 48 ALA H H 133 8.736 8.322 0.414 1 1 74 . 1 1 1 A 48 48 ALA HA H 133 4.425 4.464 -0.039 1 1 78 . 1 1 1 A 48 48 ALA CA C 133 53.090 51.974 1.116 1 1 79 . 1 1 1 A 48 48 ALA CB C 133 18.465 19.991 -1.526 1 1 80 . 1 1 1 A 48 48 ALA N N 133 125.270 124.823 0.447 1 1 81 . 1 1 1 A 49 49 MET H H 134 8.758 8.906 -0.148 1 1 82 . 1 1 1 A 49 49 MET HA H 134 4.754 5.147 -0.393 1 1 90 . 1 1 1 A 49 49 MET CA C 134 53.972 54.378 -0.406 1 1 91 . 1 1 1 A 49 49 MET CB C 134 37.222 37.232 -0.010 1 1 94 . 1 1 1 A 49 49 MET N N 134 120.911 116.767 4.144 1 1 95 . 1 1 1 A 50 50 SER H H 135 8.430 8.728 -0.298 1 1 96 . 1 1 1 A 50 50 SER HA H 135 4.356 4.997 -0.641 1 1 99 . 1 1 1 A 50 50 SER CA C 135 58.630 57.182 1.448 1 1 100 . 1 1 1 A 50 50 SER CB C 135 63.575 64.705 -1.130 1 1 101 . 1 1 1 A 50 50 SER N N 135 116.162 114.245 1.917 1 1 102 . 1 1 1 A 51 51 ARG H H 136 8.646 8.988 -0.342 1 1 103 . 1 1 1 A 51 51 ARG HA H 136 4.434 3.995 0.439 1 1 111 . 1 1 1 A 51 51 ARG CA C 136 54.863 56.848 -1.985 1 1 112 . 1 1 1 A 51 51 ARG CB C 136 30.519 28.783 1.736 1 1 115 . 1 1 1 A 51 51 ARG N N 136 126.460 120.963 5.497 1 1 117 . 1 1 1 A 52 52 PRO HA H 137 4.413 4.438 -0.025 1 1 124 . 1 1 1 A 52 52 PRO CA C 137 62.198 64.387 -2.189 1 1 125 . 1 1 1 A 52 52 PRO CB C 137 32.165 31.538 0.627 1 1 128 . 1 1 1 A 53 53 ILE H H 138 8.647 7.598 1.049 1 1 129 . 1 1 1 A 53 53 ILE HA H 138 4.160 4.098 0.062 1 1 139 . 1 1 1 A 53 53 ILE CA C 138 60.851 60.767 0.084 1 1 140 . 1 1 1 A 53 53 ILE CB C 138 36.101 36.937 -0.836 1 1 144 . 1 1 1 A 53 53 ILE N N 138 122.534 118.012 4.522 1 1 145 . 1 1 1 A 54 54 ILE H H 139 6.485 9.398 -2.913 1 1 146 . 1 1 1 A 54 54 ILE HA H 139 3.926 4.768 -0.842 1 1 156 . 1 1 1 A 54 54 ILE CA C 139 58.665 59.634 -0.969 1 1 157 . 1 1 1 A 54 54 ILE CB C 139 39.251 40.304 -1.053 1 1 161 . 1 1 1 A 54 54 ILE N N 139 126.733 129.260 -2.527 1 1 162 . 1 1 1 A 55 55 HIS H H 140 8.249 8.947 -0.698 1 1 163 . 1 1 1 A 55 55 HIS HA H 140 4.935 4.708 0.227 1 1 167 . 1 1 1 A 55 55 HIS CA C 140 54.209 55.880 -1.671 1 1 168 . 1 1 1 A 55 55 HIS CB C 140 29.326 30.829 -1.503 1 1 170 . 1 1 1 A 55 55 HIS N N 140 122.048 124.413 -2.365 1 1 171 . 1 1 1 A 56 56 PHE H H 141 10.205 9.026 1.179 1 1 172 . 1 1 1 A 56 56 PHE HA H 141 4.360 4.369 -0.009 1 1 175 . 1 1 1 A 56 56 PHE CA C 141 59.367 59.159 0.208 1 1 176 . 1 1 1 A 56 56 PHE CB C 141 41.594 40.472 1.122 1 1 177 . 1 1 1 A 56 56 PHE N N 141 124.145 119.513 4.632 1 1 178 . 1 1 1 A 57 57 GLY H H 142 9.008 8.358 0.650 1 1 179 . 1 1 1 A 57 57 GLY HA2 H 142 3.835 4.033 -0.198 1 1 180 . 1 1 1 A 57 57 GLY HA3 H 142 4.168 4.038 0.130 1 1 181 . 1 1 1 A 57 57 GLY CA C 142 45.777 45.349 0.428 1 1 182 . 1 1 1 A 57 57 GLY N N 142 108.268 107.623 0.645 1 1 183 . 1 1 1 A 58 58 SER H H 143 7.327 7.964 -0.637 1 1 184 . 1 1 1 A 58 58 SER HA H 143 4.820 4.700 0.120 1 1 187 . 1 1 1 A 58 58 SER CA C 143 56.405 57.884 -1.479 1 1 188 . 1 1 1 A 58 58 SER CB C 143 66.034 62.966 3.068 1 1 189 . 1 1 1 A 58 58 SER N N 143 111.827 116.623 -4.796 1 1 190 . 1 1 1 A 59 59 ASP H H 144 9.051 8.763 0.288 1 1 191 . 1 1 1 A 59 59 ASP HA H 144 4.502 4.171 0.331 1 1 194 . 1 1 1 A 59 59 ASP CA C 144 57.676 57.399 0.277 1 1 195 . 1 1 1 A 59 59 ASP CB C 144 40.505 40.309 0.196 1 1 196 . 1 1 1 A 59 59 ASP N N 144 124.541 127.296 -2.755 1 1 197 . 1 1 1 A 60 60 TYR H H 145 8.571 7.823 0.748 1 1 198 . 1 1 1 A 60 60 TYR HA H 145 4.197 4.259 -0.062 1 1 205 . 1 1 1 A 60 60 TYR CA C 145 61.232 61.329 -0.097 1 1 206 . 1 1 1 A 60 60 TYR CB C 145 37.912 38.014 -0.102 1 1 209 . 1 1 1 A 60 60 TYR N N 145 118.914 118.768 0.146 1 1 210 . 1 1 1 A 61 61 GLU H H 146 7.737 8.436 -0.699 1 1 211 . 1 1 1 A 61 61 GLU HA H 146 3.590 4.261 -0.671 1 1 216 . 1 1 1 A 61 61 GLU CA C 146 59.607 59.571 0.036 1 1 217 . 1 1 1 A 61 61 GLU CB C 146 30.059 29.308 0.751 1 1 219 . 1 1 1 A 61 61 GLU N N 146 118.985 120.279 -1.294 1 1 220 . 1 1 1 A 62 62 ASP H H 147 8.213 8.495 -0.282 1 1 221 . 1 1 1 A 62 62 ASP HA H 147 4.666 4.177 0.489 1 1 224 . 1 1 1 A 62 62 ASP CA C 147 58.292 56.716 1.576 1 1 225 . 1 1 1 A 62 62 ASP CB C 147 40.171 40.541 -0.370 1 1 226 . 1 1 1 A 62 62 ASP N N 147 119.785 119.965 -0.180 1 1 227 . 1 1 1 A 63 63 ARG H H 148 8.229 8.156 0.073 1 1 228 . 1 1 1 A 63 63 ARG HA H 148 4.016 4.031 -0.015 1 1 236 . 1 1 1 A 63 63 ARG CA C 148 59.611 59.733 -0.122 1 1 237 . 1 1 1 A 63 63 ARG CB C 148 30.059 29.998 0.061 1 1 240 . 1 1 1 A 63 63 ARG N N 148 120.339 120.652 -0.313 1 1 242 . 1 1 1 A 64 64 TYR H H 149 8.340 8.123 0.217 1 1 243 . 1 1 1 A 64 64 TYR HA H 149 3.829 4.383 -0.554 1 1 250 . 1 1 1 A 64 64 TYR CA C 149 61.991 61.094 0.897 1 1 251 . 1 1 1 A 64 64 TYR CB C 149 38.417 38.172 0.245 1 1 254 . 1 1 1 A 64 64 TYR N N 149 121.093 121.056 0.037 1 1 255 . 1 1 1 A 65 65 TYR H H 150 8.979 8.361 0.618 1 1 256 . 1 1 1 A 65 65 TYR HA H 150 4.132 4.392 -0.260 1 1 263 . 1 1 1 A 65 65 TYR CA C 150 62.691 60.986 1.705 1 1 264 . 1 1 1 A 65 65 TYR CB C 150 38.025 38.281 -0.256 1 1 267 . 1 1 1 A 65 65 TYR N N 150 120.575 121.160 -0.585 1 1 268 . 1 1 1 A 66 66 ARG H H 151 7.997 7.700 0.297 1 1 269 . 1 1 1 A 66 66 ARG HA H 151 3.925 3.547 0.378 1 1 277 . 1 1 1 A 66 66 ARG CA C 151 60.050 58.924 1.126 1 1 278 . 1 1 1 A 66 66 ARG CB C 151 29.901 29.608 0.293 1 1 281 . 1 1 1 A 66 66 ARG N N 151 117.799 118.824 -1.025 1 1 283 . 1 1 1 A 67 67 GLU H H 152 8.076 7.953 0.123 1 1 284 . 1 1 1 A 67 67 GLU HA H 152 4.082 4.227 -0.145 1 1 289 . 1 1 1 A 67 67 GLU CA C 152 58.125 58.373 -0.248 1 1 290 . 1 1 1 A 67 67 GLU CB C 152 29.743 29.575 0.168 1 1 292 . 1 1 1 A 67 67 GLU N N 152 116.601 117.817 -1.216 1 1 293 . 1 1 1 A 68 68 ASN H H 153 7.621 7.855 -0.234 1 1 294 . 1 1 1 A 68 68 ASN HA H 153 4.321 4.568 -0.247 1 1 299 . 1 1 1 A 68 68 ASN CA C 153 54.958 56.115 -1.157 1 1 300 . 1 1 1 A 68 68 ASN CB C 153 41.041 38.502 2.539 1 1 301 . 1 1 1 A 68 68 ASN N N 153 114.623 119.052 -4.429 1 1 303 . 1 1 1 A 69 69 MET H H 154 8.105 8.326 -0.221 1 1 304 . 1 1 1 A 69 69 MET HA H 154 3.458 4.104 -0.646 1 1 312 . 1 1 1 A 69 69 MET CA C 154 59.104 57.885 1.219 1 1 313 . 1 1 1 A 69 69 MET CB C 154 30.533 31.708 -1.175 1 1 316 . 1 1 1 A 69 69 MET N N 154 119.633 117.784 1.849 1 1 317 . 1 1 1 A 70 70 HIS H H 155 8.070 7.720 0.350 1 1 319 . 1 1 1 A 70 70 HIS CA C 155 57.650 59.223 -1.573 1 1 320 . 1 1 1 A 70 70 HIS CB C 155 27.591 30.272 -2.681 1 1 322 . 1 1 1 A 70 70 HIS N N 155 115.018 117.889 -2.871 1 1 323 . 1 1 1 A 71 71 ARG H H 156 7.618 7.892 -0.274 1 1 325 . 1 1 1 A 71 71 ARG CA C 156 56.278 55.375 0.903 1 1 326 . 1 1 1 A 71 71 ARG CB C 156 30.770 30.616 0.154 1 1 329 . 1 1 1 A 71 71 ARG N N 156 118.197 115.702 2.495 1 1 331 . 1 1 1 A 72 72 TYR H H 157 7.473 7.900 -0.427 1 1 332 . 1 1 1 A 72 72 TYR HA H 157 5.034 4.678 0.356 1 1 339 . 1 1 1 A 72 72 TYR CA C 157 52.768 56.641 -3.873 1 1 340 . 1 1 1 A 72 72 TYR CB C 157 35.150 38.504 -3.354 1 1 343 . 1 1 1 A 72 72 TYR N N 157 120.873 118.958 1.915 1 1 344 . 1 1 1 A 73 73 PRO HA H 158 4.425 4.631 -0.206 1 1 351 . 1 1 1 A 73 73 PRO CA C 158 63.737 62.759 0.978 1 1 352 . 1 1 1 A 73 73 PRO CB C 158 32.071 31.852 0.219 1 1 355 . 1 1 1 A 74 74 ASN H H 159 8.562 8.542 0.020 1 1 356 . 1 1 1 A 74 74 ASN HA H 159 4.708 4.737 -0.029 1 1 361 . 1 1 1 A 74 74 ASN CA C 159 51.965 52.396 -0.431 1 1 362 . 1 1 1 A 74 74 ASN CB C 159 37.898 38.775 -0.877 1 1 363 . 1 1 1 A 74 74 ASN N N 159 116.213 120.751 -4.538 1 1 365 . 1 1 1 A 75 75 GLN H H 160 7.302 7.605 -0.303 1 1 366 . 1 1 1 A 75 75 GLN HA H 160 4.479 4.610 -0.131 1 1 371 . 1 1 1 A 75 75 GLN CA C 160 54.184 54.540 -0.356 1 1 372 . 1 1 1 A 75 75 GLN CB C 160 34.167 32.248 1.919 1 1 373 . 1 1 1 A 75 75 GLN N N 160 114.122 118.697 -4.575 1 1 375 . 1 1 1 A 76 76 VAL H H 161 8.635 8.398 0.237 1 1 376 . 1 1 1 A 76 76 VAL HA H 161 4.916 4.690 0.226 1 1 384 . 1 1 1 A 76 76 VAL CA C 161 58.557 59.926 -1.369 1 1 385 . 1 1 1 A 76 76 VAL CB C 161 33.635 34.524 -0.889 1 1 388 . 1 1 1 A 76 76 VAL N N 161 112.903 117.409 -4.506 1 1 389 . 1 1 1 A 77 77 TYR H H 162 8.554 8.791 -0.237 1 1 390 . 1 1 1 A 77 77 TYR HA H 162 5.440 4.880 0.560 1 1 397 . 1 1 1 A 77 77 TYR CA C 162 57.057 56.299 0.758 1 1 398 . 1 1 1 A 77 77 TYR CB C 162 42.147 43.086 -0.939 1 1 401 . 1 1 1 A 77 77 TYR N N 162 120.972 123.898 -2.926 1 1 402 . 1 1 1 A 78 78 TYR H H 163 8.686 8.797 -0.111 1 1 403 . 1 1 1 A 78 78 TYR HA H 163 4.797 5.399 -0.602 1 1 410 . 1 1 1 A 78 78 TYR CA C 163 55.484 56.196 -0.712 1 1 413 . 1 1 1 A 78 78 TYR N N 163 111.059 118.760 -7.701 1 1 429 . 1 1 1 A 86 86 ASN HA H 171 4.733 4.692 0.041 1 1 434 . 1 1 1 A 86 86 ASN CA C 171 52.388 53.390 -1.002 1 1 435 . 1 1 1 A 86 86 ASN CB C 171 39.935 40.054 -0.119 1 1 437 . 1 1 1 A 87 87 GLN H H 172 8.740 8.863 -0.123 1 1 440 . 1 1 1 A 87 87 GLN CA C 172 59.906 58.949 0.957 1 1 441 . 1 1 1 A 87 87 GLN CB C 172 29.065 28.088 0.977 1 1 443 . 1 1 1 A 87 87 GLN N N 172 121.279 121.967 -0.688 1 1 445 . 1 1 1 A 88 88 ASN H H 173 8.427 8.183 0.244 1 1 446 . 1 1 1 A 88 88 ASN HA H 173 4.255 4.456 -0.201 1 1 451 . 1 1 1 A 88 88 ASN CA C 173 56.396 56.042 0.354 1 1 452 . 1 1 1 A 88 88 ASN CB C 173 37.912 38.720 -0.808 1 1 453 . 1 1 1 A 88 88 ASN N N 173 116.210 118.154 -1.944 1 1 455 . 1 1 1 A 89 89 ASN H H 174 8.542 8.367 0.175 1 1 456 . 1 1 1 A 89 89 ASN HA H 174 4.509 4.580 -0.071 1 1 461 . 1 1 1 A 89 89 ASN CA C 174 56.013 56.363 -0.350 1 1 462 . 1 1 1 A 89 89 ASN CB C 174 38.359 37.784 0.575 1 1 463 . 1 1 1 A 89 89 ASN N N 174 118.573 117.266 1.307 1 1 465 . 1 1 1 A 90 90 PHE H H 175 8.113 7.869 0.244 1 1 466 . 1 1 1 A 90 90 PHE CA C 175 61.432 61.392 0.040 1 1 467 . 1 1 1 A 90 90 PHE N N 175 120.437 122.598 -2.161 1 1 468 . 1 1 1 A 91 91 VAL H H 176 9.215 7.620 1.595 1 1 469 . 1 1 1 A 91 91 VAL HA H 176 3.608 3.177 0.431 1 1 477 . 1 1 1 A 91 91 VAL CA C 176 67.888 66.023 1.865 1 1 478 . 1 1 1 A 91 91 VAL CB C 176 32.042 31.387 0.655 1 1 480 . 1 1 1 A 91 91 VAL N N 176 120.071 118.863 1.208 1 1 481 . 1 1 1 A 92 92 HIS H H 177 8.497 7.667 0.830 1 1 482 . 1 1 1 A 92 92 HIS HA H 177 4.353 4.225 0.128 1 1 485 . 1 1 1 A 92 92 HIS CA C 177 59.251 60.006 -0.755 1 1 486 . 1 1 1 A 92 92 HIS CB C 177 28.104 29.669 -1.565 1 1 487 . 1 1 1 A 92 92 HIS N N 177 117.399 118.070 -0.671 1 1 488 . 1 1 1 A 93 93 ASN H H 178 7.860 8.546 -0.686 1 1 489 . 1 1 1 A 93 93 ASN HA H 178 4.521 4.383 0.138 1 1 494 . 1 1 1 A 93 93 ASN CA C 178 56.244 56.403 -0.159 1 1 495 . 1 1 1 A 93 93 ASN CB C 178 37.934 37.926 0.008 1 1 496 . 1 1 1 A 93 93 ASN N N 178 116.474 116.476 -0.002 1 1 498 . 1 1 1 A 94 94 CYS H H 179 8.133 7.926 0.207 1 1 499 . 1 1 1 A 94 94 CYS CA C 179 58.595 63.505 -4.910 1 1 500 . 1 1 1 A 94 94 CYS CB C 179 40.911 26.860 14.051 1 1 501 . 1 1 1 A 94 94 CYS N N 179 120.418 118.365 2.053 1 1 502 . 1 1 1 A 95 95 VAL H H 180 9.280 7.640 1.640 1 1 503 . 1 1 1 A 95 95 VAL HA H 180 3.654 3.561 0.093 1 1 511 . 1 1 1 A 95 95 VAL CA C 180 66.400 66.796 -0.396 1 1 512 . 1 1 1 A 95 95 VAL CB C 180 31.912 31.378 0.534 1 1 515 . 1 1 1 A 95 95 VAL N N 180 125.212 121.573 3.639 1 1 516 . 1 1 1 A 96 96 ASN H H 181 7.696 8.176 -0.480 1 1 517 . 1 1 1 A 96 96 ASN HA H 181 4.321 4.480 -0.159 1 1 522 . 1 1 1 A 96 96 ASN CA C 181 56.419 56.531 -0.112 1 1 523 . 1 1 1 A 96 96 ASN CB C 181 38.654 38.485 0.169 1 1 524 . 1 1 1 A 96 96 ASN N N 181 115.816 118.396 -2.580 1 1 526 . 1 1 1 A 97 97 ILE H H 182 8.385 7.544 0.841 1 1 527 . 1 1 1 A 97 97 ILE HA H 182 3.726 3.679 0.047 1 1 537 . 1 1 1 A 97 97 ILE CA C 182 62.446 65.001 -2.555 1 1 538 . 1 1 1 A 97 97 ILE CB C 182 36.464 37.595 -1.131 1 1 542 . 1 1 1 A 97 97 ILE N N 182 118.191 119.752 -1.561 1 1 543 . 1 1 1 A 98 98 THR H H 183 8.157 7.692 0.465 1 1 544 . 1 1 1 A 98 98 THR HA H 183 4.078 3.982 0.096 1 1 549 . 1 1 1 A 98 98 THR CA C 183 68.807 66.885 1.922 1 1 550 . 1 1 1 A 98 98 THR CB C 183 68.239 68.852 -0.613 1 1 552 . 1 1 1 A 98 98 THR N N 183 117.797 117.130 0.667 1 1 553 . 1 1 1 A 99 99 ILE H H 184 8.528 7.694 0.834 1 1 554 . 1 1 1 A 99 99 ILE HA H 184 3.727 3.570 0.157 1 1 564 . 1 1 1 A 99 99 ILE CA C 184 65.621 65.607 0.014 1 1 565 . 1 1 1 A 99 99 ILE CB C 184 36.531 37.721 -1.190 1 1 569 . 1 1 1 A 99 99 ILE N N 184 120.576 121.262 -0.686 1 1 570 . 1 1 1 A 100 100 LYS H H 185 7.953 7.940 0.013 1 1 571 . 1 1 1 A 100 100 LYS HA H 185 4.068 3.954 0.114 1 1 580 . 1 1 1 A 100 100 LYS CA C 185 59.636 59.764 -0.128 1 1 581 . 1 1 1 A 100 100 LYS CB C 185 31.989 32.569 -0.580 1 1 585 . 1 1 1 A 100 100 LYS N N 185 122.562 120.439 2.123 1 1 586 . 1 1 1 A 101 101 GLN H H 186 8.376 7.942 0.434 1 1 589 . 1 1 1 A 101 101 GLN CA C 186 57.741 58.700 -0.959 1 1 590 . 1 1 1 A 101 101 GLN N N 186 116.213 118.558 -2.345 1 1 592 . 1 1 1 A 102 102 HIS H H 187 8.199 8.315 -0.116 1 1 593 . 1 1 1 A 102 102 HIS HA H 187 4.593 4.392 0.201 1 1 596 . 1 1 1 A 102 102 HIS CA C 187 59.062 59.210 -0.148 1 1 597 . 1 1 1 A 102 102 HIS CB C 187 30.384 29.378 1.006 1 1 598 . 1 1 1 A 102 102 HIS N N 187 118.199 120.333 -2.134 1 1 599 . 1 1 1 A 103 103 THR H H 188 8.245 8.297 -0.052 1 1 600 . 1 1 1 A 103 103 THR HA H 188 4.184 4.069 0.115 1 1 605 . 1 1 1 A 103 103 THR CA C 188 65.017 65.279 -0.262 1 1 606 . 1 1 1 A 103 103 THR CB C 188 69.167 68.958 0.209 1 1 608 . 1 1 1 A 103 103 THR N N 188 113.748 114.674 -0.926 1 1 609 . 1 1 1 A 104 104 VAL H H 189 8.013 8.123 -0.110 1 1 610 . 1 1 1 A 104 104 VAL HA H 189 4.004 3.591 0.413 1 1 618 . 1 1 1 A 104 104 VAL CA C 189 65.151 66.869 -1.718 1 1 619 . 1 1 1 A 104 104 VAL CB C 189 31.743 31.714 0.029 1 1 622 . 1 1 1 A 104 104 VAL N N 189 122.142 121.157 0.985 1 1 623 . 1 1 1 A 105 105 THR H H 190 8.092 8.115 -0.023 1 1 624 . 1 1 1 A 105 105 THR HA H 190 4.250 3.990 0.260 1 1 629 . 1 1 1 A 105 105 THR CA C 190 64.314 65.634 -1.320 1 1 630 . 1 1 1 A 105 105 THR CB C 190 69.159 68.188 0.971 1 1 632 . 1 1 1 A 105 105 THR N N 190 115.022 115.197 -0.175 1 1 633 . 1 1 1 A 106 106 THR H H 191 8.017 7.992 0.025 1 1 634 . 1 1 1 A 106 106 THR HA H 191 4.214 4.073 0.141 1 1 639 . 1 1 1 A 106 106 THR CA C 191 63.874 65.809 -1.935 1 1 640 . 1 1 1 A 106 106 THR CB C 191 69.009 68.548 0.461 1 1 642 . 1 1 1 A 106 106 THR N N 191 114.622 116.617 -1.995 1 1 643 . 1 1 1 A 107 107 THR H H 192 8.194 8.020 0.174 1 1 644 . 1 1 1 A 107 107 THR CA C 192 64.201 66.010 -1.809 1 1 645 . 1 1 1 A 107 107 THR CB C 192 69.159 68.398 0.761 1 1 647 . 1 1 1 A 107 107 THR N N 192 116.611 117.463 -0.852 1 1 648 . 1 1 1 A 108 108 THR H H 193 7.932 8.223 -0.291 1 1 649 . 1 1 1 A 108 108 THR CA C 193 63.871 66.714 -2.843 1 1 650 . 1 1 1 A 108 108 THR CB C 193 69.002 68.683 0.319 1 1 652 . 1 1 1 A 108 108 THR N N 193 116.096 117.145 -1.049 1 1 653 . 1 1 1 A 109 109 LYS H H 194 7.821 7.779 0.042 1 1 654 . 1 1 1 A 109 109 LYS HA H 194 4.364 4.415 -0.051 1 1 663 . 1 1 1 A 109 109 LYS CA C 194 56.285 55.935 0.350 1 1 664 . 1 1 1 A 109 109 LYS CB C 194 32.636 33.541 -0.905 1 1 668 . 1 1 1 A 109 109 LYS N N 194 120.975 117.901 3.074 1 1 669 . 1 1 1 A 110 110 GLY H H 195 8.109 7.925 0.184 1 1 670 . 1 1 1 A 110 110 GLY HA2 H 195 3.858 3.943 -0.085 1 1 671 . 1 1 1 A 110 110 GLY HA3 H 195 4.083 3.951 0.132 1 1 672 . 1 1 1 A 110 110 GLY CA C 195 45.511 46.626 -1.115 1 1 673 . 1 1 1 A 110 110 GLY N N 195 108.675 109.365 -0.690 1 1 674 . 1 1 1 A 111 111 GLU H H 196 7.706 7.429 0.277 1 1 675 . 1 1 1 A 111 111 GLU HA H 196 4.258 4.960 -0.702 1 1 680 . 1 1 1 A 111 111 GLU CA C 196 55.837 54.404 1.433 1 1 681 . 1 1 1 A 111 111 GLU CB C 196 30.673 33.785 -3.112 1 1 683 . 1 1 1 A 111 111 GLU N N 196 120.028 119.112 0.916 1 1 684 . 1 1 1 A 112 112 ASN H H 197 8.460 8.865 -0.405 1 1 685 . 1 1 1 A 112 112 ASN HA H 197 4.668 5.622 -0.954 1 1 690 . 1 1 1 A 112 112 ASN CA C 197 52.923 51.370 1.553 1 1 691 . 1 1 1 A 112 112 ASN CB C 197 40.491 42.512 -2.021 1 1 692 . 1 1 1 A 112 112 ASN N N 197 119.716 116.850 2.866 1 1 694 . 1 1 1 A 113 113 PHE H H 198 8.655 8.279 0.376 1 1 695 . 1 1 1 A 113 113 PHE HA H 198 5.262 5.842 -0.580 1 1 698 . 1 1 1 A 113 113 PHE CA C 198 56.640 55.122 1.518 1 1 699 . 1 1 1 A 113 113 PHE CB C 198 39.899 42.619 -2.720 1 1 700 . 1 1 1 A 113 113 PHE N N 198 122.046 116.282 5.764 1 1 701 . 1 1 1 A 114 114 THR H H 199 9.506 8.894 0.612 1 1 702 . 1 1 1 A 114 114 THR HA H 199 4.625 4.781 -0.156 1 1 707 . 1 1 1 A 114 114 THR CA C 199 60.305 60.170 0.135 1 1 708 . 1 1 1 A 114 114 THR CB C 199 72.033 71.596 0.437 1 1 710 . 1 1 1 A 114 114 THR N N 199 116.124 114.612 1.512 1 1 711 . 1 1 1 A 115 115 GLU H H 200 9.120 9.134 -0.014 1 1 712 . 1 1 1 A 115 115 GLU HA H 200 4.051 4.088 -0.037 1 1 717 . 1 1 1 A 115 115 GLU CA C 200 59.877 59.632 0.245 1 1 718 . 1 1 1 A 115 115 GLU CB C 200 28.787 29.164 -0.377 1 1 720 . 1 1 1 A 115 115 GLU N N 200 119.993 121.525 -1.532 1 1 721 . 1 1 1 A 116 116 THR H H 201 7.955 7.759 0.196 1 1 722 . 1 1 1 A 116 116 THR HA H 201 3.794 3.970 -0.176 1 1 727 . 1 1 1 A 116 116 THR CA C 201 66.734 66.838 -0.104 1 1 728 . 1 1 1 A 116 116 THR CB C 201 68.624 68.894 -0.270 1 1 730 . 1 1 1 A 116 116 THR N N 201 116.160 117.885 -1.725 1 1 731 . 1 1 1 A 117 117 ASP H H 202 7.505 7.851 -0.346 1 1 732 . 1 1 1 A 117 117 ASP HA H 202 4.577 4.545 0.032 1 1 735 . 1 1 1 A 117 117 ASP CA C 202 58.057 57.113 0.944 1 1 736 . 1 1 1 A 117 117 ASP CB C 202 41.747 41.380 0.367 1 1 737 . 1 1 1 A 117 117 ASP N N 202 120.175 121.678 -1.503 1 1 738 . 1 1 1 A 118 118 VAL H H 203 8.236 8.556 -0.320 1 1 739 . 1 1 1 A 118 118 VAL HA H 203 3.324 3.826 -0.502 1 1 747 . 1 1 1 A 118 118 VAL CA C 203 67.799 65.193 2.606 1 1 748 . 1 1 1 A 118 118 VAL CB C 203 31.269 30.828 0.441 1 1 751 . 1 1 1 A 118 118 VAL N N 203 119.654 118.866 0.788 1 1 752 . 1 1 1 A 119 119 LYS H H 204 7.740 7.513 0.227 1 1 753 . 1 1 1 A 119 119 LYS HA H 204 4.090 3.917 0.173 1 1 762 . 1 1 1 A 119 119 LYS CA C 204 59.368 59.553 -0.185 1 1 763 . 1 1 1 A 119 119 LYS CB C 204 32.165 32.160 0.005 1 1 767 . 1 1 1 A 119 119 LYS N N 204 119.288 122.482 -3.194 1 1 768 . 1 1 1 A 120 120 MET H H 205 8.235 8.055 0.180 1 1 769 . 1 1 1 A 120 120 MET HA H 205 4.158 4.039 0.119 1 1 777 . 1 1 1 A 120 120 MET CA C 205 59.819 58.565 1.254 1 1 778 . 1 1 1 A 120 120 MET CB C 205 33.078 32.248 0.830 1 1 781 . 1 1 1 A 120 120 MET N N 205 118.767 118.739 0.028 1 1 782 . 1 1 1 A 121 121 MET H H 206 8.755 7.833 0.922 1 1 783 . 1 1 1 A 121 121 MET HA H 206 3.580 4.302 -0.722 1 1 791 . 1 1 1 A 121 121 MET CA C 206 59.639 58.084 1.555 1 1 792 . 1 1 1 A 121 121 MET CB C 206 32.777 32.078 0.699 1 1 795 . 1 1 1 A 121 121 MET N N 206 118.428 120.292 -1.864 1 1 796 . 1 1 1 A 122 122 GLU H H 207 8.419 7.930 0.489 1 1 797 . 1 1 1 A 122 122 GLU HA H 207 3.688 4.015 -0.327 1 1 802 . 1 1 1 A 122 122 GLU CA C 207 60.390 58.920 1.470 1 1 803 . 1 1 1 A 122 122 GLU CB C 207 28.448 29.040 -0.592 1 1 805 . 1 1 1 A 122 122 GLU N N 207 118.469 118.756 -0.287 1 1 806 . 1 1 1 A 123 123 ARG H H 208 7.344 7.418 -0.074 1 1 807 . 1 1 1 A 123 123 ARG HA H 208 4.163 4.009 0.154 1 1 815 . 1 1 1 A 123 123 ARG CA C 208 58.537 58.846 -0.309 1 1 816 . 1 1 1 A 123 123 ARG CB C 208 29.925 29.819 0.106 1 1 819 . 1 1 1 A 123 123 ARG N N 208 116.990 120.131 -3.141 1 1 821 . 1 1 1 A 124 124 VAL H H 209 8.299 7.666 0.633 1 1 822 . 1 1 1 A 124 124 VAL HA H 209 3.798 3.674 0.124 1 1 830 . 1 1 1 A 124 124 VAL CA C 209 65.995 66.105 -0.110 1 1 831 . 1 1 1 A 124 124 VAL CB C 209 32.075 31.519 0.556 1 1 834 . 1 1 1 A 124 124 VAL N N 209 119.301 120.290 -0.989 1 1 835 . 1 1 1 A 125 125 VAL H H 210 9.016 7.813 1.203 1 1 836 . 1 1 1 A 125 125 VAL HA H 210 3.643 3.512 0.131 1 1 844 . 1 1 1 A 125 125 VAL CA C 210 66.591 66.529 0.062 1 1 845 . 1 1 1 A 125 125 VAL CB C 210 31.836 31.217 0.619 1 1 848 . 1 1 1 A 125 125 VAL N N 210 121.312 121.026 0.286 1 1 849 . 1 1 1 A 126 126 GLU H H 211 8.153 7.795 0.358 1 1 850 . 1 1 1 A 126 126 GLU HA H 211 3.622 3.868 -0.246 1 1 855 . 1 1 1 A 126 126 GLU CA C 211 60.997 59.804 1.193 1 1 856 . 1 1 1 A 126 126 GLU CB C 211 28.921 28.933 -0.012 1 1 858 . 1 1 1 A 126 126 GLU N N 211 120.456 120.070 0.386 1 1 859 . 1 1 1 A 127 127 GLN H H 212 7.274 7.879 -0.605 1 1 862 . 1 1 1 A 127 127 GLN CA C 212 58.803 58.675 0.128 1 1 863 . 1 1 1 A 127 127 GLN N N 212 115.025 117.984 -2.959 1 1 865 . 1 1 1 A 128 128 MET H H 213 8.324 7.928 0.396 1 1 866 . 1 1 1 A 128 128 MET HA H 213 4.146 4.165 -0.019 1 1 872 . 1 1 1 A 128 128 MET CA C 213 59.976 58.254 1.722 1 1 873 . 1 1 1 A 128 128 MET CB C 213 31.911 32.978 -1.067 1 1 875 . 1 1 1 A 128 128 MET N N 213 119.344 118.367 0.977 1 1 876 . 1 1 1 A 129 129 CYS H H 214 9.219 8.156 1.063 1 1 877 . 1 1 1 A 129 129 CYS CA C 214 59.821 63.554 -3.733 1 1 878 . 1 1 1 A 129 129 CYS N N 214 118.992 117.871 1.121 1 1 879 . 1 1 1 A 130 130 ILE H H 215 8.340 7.271 1.069 1 1 880 . 1 1 1 A 130 130 ILE HA H 215 3.563 3.114 0.449 1 1 890 . 1 1 1 A 130 130 ILE CA C 215 66.751 63.739 3.012 1 1 891 . 1 1 1 A 130 130 ILE CB C 215 37.814 36.124 1.690 1 1 895 . 1 1 1 A 130 130 ILE N N 215 123.750 120.998 2.752 1 1 896 . 1 1 1 A 131 131 THR H H 216 8.142 7.594 0.548 1 1 897 . 1 1 1 A 131 131 THR HA H 216 3.940 3.802 0.138 1 1 902 . 1 1 1 A 131 131 THR CA C 216 66.898 66.641 0.257 1 1 903 . 1 1 1 A 131 131 THR CB C 216 69.608 68.646 0.962 1 1 905 . 1 1 1 A 131 131 THR N N 216 118.528 117.701 0.827 1 1 906 . 1 1 1 A 132 132 GLN H H 217 8.687 7.364 1.323 1 1 907 . 1 1 1 A 132 132 GLN HA H 217 3.688 4.118 -0.430 1 1 914 . 1 1 1 A 132 132 GLN CA C 217 58.527 58.582 -0.055 1 1 915 . 1 1 1 A 132 132 GLN CB C 217 28.353 28.731 -0.378 1 1 917 . 1 1 1 A 132 132 GLN N N 217 121.765 118.360 3.405 1 1 919 . 1 1 1 A 133 133 TYR HA H 218 4.532 4.890 -0.358 1 1 926 . 1 1 1 A 133 133 TYR CA C 218 55.867 55.854 0.013 1 1 927 . 1 1 1 A 133 133 TYR CB C 218 37.912 40.967 -3.055 1 1 930 . 1 1 1 A 134 134 GLU H H 219 8.293 9.155 -0.862 1 1 931 . 1 1 1 A 134 134 GLU HA H 219 3.689 4.074 -0.385 1 1 936 . 1 1 1 A 134 134 GLU CA C 219 59.268 58.643 0.625 1 1 937 . 1 1 1 A 134 134 GLU CB C 219 28.324 28.843 -0.519 1 1 939 . 1 1 1 A 134 134 GLU N N 219 120.400 123.126 -2.726 1 1 940 . 1 1 1 A 135 135 ARG H H 220 7.887 8.276 -0.389 1 1 941 . 1 1 1 A 135 135 ARG HA H 220 3.981 4.085 -0.104 1 1 949 . 1 1 1 A 135 135 ARG CA C 220 59.266 59.682 -0.416 1 1 950 . 1 1 1 A 135 135 ARG CB C 220 30.337 30.034 0.303 1 1 953 . 1 1 1 A 135 135 ARG N N 220 118.589 119.209 -0.620 1 1 955 . 1 1 1 A 137 137 SER HA H 222 3.954 4.207 -0.253 1 1 958 . 1 1 1 A 137 137 SER CA C 222 60.572 61.261 -0.689 1 1 959 . 1 1 1 A 137 137 SER CB C 222 62.761 63.180 -0.419 1 1 960 . 1 1 1 A 138 138 GLN H H 223 7.624 8.174 -0.550 1 1 961 . 1 1 1 A 138 138 GLN HA H 223 4.153 4.055 0.098 1 1 968 . 1 1 1 A 138 138 GLN CA C 223 57.658 58.565 -0.907 1 1 969 . 1 1 1 A 138 138 GLN CB C 223 28.370 28.414 -0.044 1 1 971 . 1 1 1 A 138 138 GLN N N 223 120.575 121.260 -0.685 1 1 973 . 1 1 1 A 139 139 ALA H H 224 7.627 7.909 -0.282 1 1 974 . 1 1 1 A 139 139 ALA HA H 224 4.156 4.183 -0.027 1 1 978 . 1 1 1 A 139 139 ALA CA C 224 54.017 55.062 -1.045 1 1 979 . 1 1 1 A 139 139 ALA CB C 224 18.645 18.468 0.177 1 1 980 . 1 1 1 A 139 139 ALA N N 224 121.263 121.333 -0.070 1 1 981 . 1 1 1 A 140 140 TYR H H 225 8.048 7.765 0.283 1 1 982 . 1 1 1 A 140 140 TYR HA H 225 4.204 4.303 -0.099 1 1 989 . 1 1 1 A 140 140 TYR CA C 225 59.890 61.285 -1.395 1 1 990 . 1 1 1 A 140 140 TYR CB C 225 38.994 38.522 0.472 1 1 993 . 1 1 1 A 140 140 TYR N N 225 118.980 120.148 -1.168 1 1 994 . 1 1 1 A 141 141 TYR H H 226 7.948 7.978 -0.030 1 1 995 . 1 1 1 A 141 141 TYR HA H 226 4.375 4.326 0.049 1 1 1002 . 1 1 1 A 141 141 TYR CA C 226 59.036 61.205 -2.169 1 1 1003 . 1 1 1 A 141 141 TYR CB C 226 38.060 38.948 -0.888 1 1 1006 . 1 1 1 A 141 141 TYR N N 226 118.596 118.180 0.416 1 1 1007 . 1 1 1 A 142 142 GLN H H 227 7.941 7.579 0.362 1 1 1008 . 1 1 1 A 142 142 GLN HA H 227 4.240 4.198 0.042 1 1 1015 . 1 1 1 A 142 142 GLN CA C 227 56.346 56.498 -0.152 1 1 1016 . 1 1 1 A 142 142 GLN CB C 227 28.912 29.099 -0.187 1 1 1018 . 1 1 1 A 142 142 GLN N N 227 119.883 118.225 1.658 1 1 1020 . 1 1 1 A 143 143 ARG H H 228 7.966 8.612 -0.646 1 1 1021 . 1 1 1 A 143 143 ARG HA H 228 4.244 4.140 0.104 1 1 1029 . 1 1 1 A 143 143 ARG CA C 228 56.719 58.098 -1.379 1 1 1030 . 1 1 1 A 143 143 ARG CB C 228 30.731 29.381 1.350 1 1 1033 . 1 1 1 A 143 143 ARG N N 228 120.871 126.579 -5.708 1 1 1035 . 1 1 1 A 144 144 GLY H H 229 8.247 8.917 -0.670 1 1 1036 . 1 1 1 A 144 144 GLY HA2 H 229 3.992 4.103 -0.111 1 1 1037 . 1 1 1 A 144 144 GLY HA3 H 229 3.992 4.151 -0.159 1 1 1038 . 1 1 1 A 144 144 GLY CA C 229 45.359 45.655 -0.296 1 1 1039 . 1 1 1 A 144 144 GLY N N 229 109.072 111.174 -2.102 1 1 1040 . 1 1 1 A 145 145 SER H H 230 8.139 7.644 0.495 1 1 1041 . 1 1 1 A 145 145 SER HA H 230 4.506 4.320 0.186 1 1 1044 . 1 1 1 A 145 145 SER CA C 230 58.123 59.458 -1.335 1 1 1045 . 1 1 1 A 145 145 SER CB C 230 63.878 63.666 0.212 1 1 1046 . 1 1 1 A 145 145 SER N N 230 115.684 117.914 -2.230 1 1 16 . 2 1 1 A 41 41 GLY H H 126 8.484 8.443 0.041 1 1 17 . 2 1 1 A 41 41 GLY HA2 H 126 3.861 3.985 -0.124 1 1 18 . 2 1 1 A 41 41 GLY HA3 H 126 3.920 3.996 -0.076 1 1 19 . 2 1 1 A 41 41 GLY CA C 126 46.260 45.544 0.716 1 1 20 . 2 1 1 A 41 41 GLY N N 126 109.470 110.315 -0.845 1 1 21 . 2 1 1 A 42 42 GLY H H 127 8.326 7.871 0.455 1 1 22 . 2 1 1 A 42 42 GLY HA2 H 127 3.749 3.736 0.013 1 1 23 . 2 1 1 A 42 42 GLY HA3 H 127 3.900 3.815 0.085 1 1 24 . 2 1 1 A 42 42 GLY CA C 127 45.226 45.919 -0.693 1 1 25 . 2 1 1 A 42 42 GLY N N 127 109.020 105.878 3.142 1 1 26 . 2 1 1 A 43 43 TYR H H 128 7.692 8.031 -0.339 1 1 27 . 2 1 1 A 43 43 TYR HA H 128 4.675 5.071 -0.396 1 1 34 . 2 1 1 A 43 43 TYR CA C 128 57.271 56.307 0.964 1 1 35 . 2 1 1 A 43 43 TYR CB C 128 40.257 43.123 -2.866 1 1 38 . 2 1 1 A 43 43 TYR N N 128 117.301 120.566 -3.265 1 1 39 . 2 1 1 A 44 44 VAL H H 129 8.974 8.637 0.337 1 1 40 . 2 1 1 A 44 44 VAL HA H 129 4.344 4.185 0.159 1 1 48 . 2 1 1 A 44 44 VAL CA C 129 59.555 61.686 -2.131 1 1 49 . 2 1 1 A 44 44 VAL CB C 129 34.728 32.745 1.983 1 1 52 . 2 1 1 A 44 44 VAL N N 129 118.589 120.383 -1.794 1 1 53 . 2 1 1 A 45 45 LEU H H 130 8.029 8.753 -0.724 1 1 62 . 2 1 1 A 45 45 LEU N N 130 123.350 124.699 -1.349 1 1 63 . 2 1 1 A 46 46 GLY H H 131 9.278 8.309 0.969 1 1 64 . 2 1 1 A 46 46 GLY CA C 131 44.842 46.243 -1.401 1 1 65 . 2 1 1 A 46 46 GLY N N 131 114.623 112.902 1.721 1 1 66 . 2 1 1 A 47 47 SER H H 132 8.315 8.198 0.117 1 1 67 . 2 1 1 A 47 47 SER HA H 132 4.438 4.757 -0.319 1 1 70 . 2 1 1 A 47 47 SER CA C 132 58.520 59.357 -0.837 1 1 71 . 2 1 1 A 47 47 SER CB C 132 64.166 65.243 -1.077 1 1 72 . 2 1 1 A 47 47 SER N N 132 113.038 118.142 -5.104 1 1 73 . 2 1 1 A 48 48 ALA H H 133 8.736 7.538 1.198 1 1 74 . 2 1 1 A 48 48 ALA HA H 133 4.425 4.443 -0.018 1 1 78 . 2 1 1 A 48 48 ALA CA C 133 53.090 51.416 1.674 1 1 79 . 2 1 1 A 48 48 ALA CB C 133 18.465 21.456 -2.991 1 1 80 . 2 1 1 A 48 48 ALA N N 133 125.270 118.211 7.059 1 1 81 . 2 1 1 A 49 49 MET H H 134 8.758 8.582 0.176 1 1 82 . 2 1 1 A 49 49 MET HA H 134 4.754 5.259 -0.505 1 1 90 . 2 1 1 A 49 49 MET CA C 134 53.972 54.203 -0.231 1 1 91 . 2 1 1 A 49 49 MET CB C 134 37.222 35.834 1.388 1 1 94 . 2 1 1 A 49 49 MET N N 134 120.911 117.173 3.738 1 1 95 . 2 1 1 A 50 50 SER H H 135 8.430 8.757 -0.327 1 1 96 . 2 1 1 A 50 50 SER HA H 135 4.356 4.994 -0.638 1 1 99 . 2 1 1 A 50 50 SER CA C 135 58.630 57.217 1.413 1 1 100 . 2 1 1 A 50 50 SER CB C 135 63.575 64.733 -1.158 1 1 101 . 2 1 1 A 50 50 SER N N 135 116.162 115.521 0.641 1 1 102 . 2 1 1 A 51 51 ARG H H 136 8.646 8.962 -0.316 1 1 103 . 2 1 1 A 51 51 ARG HA H 136 4.434 3.850 0.584 1 1 111 . 2 1 1 A 51 51 ARG CA C 136 54.863 56.589 -1.726 1 1 112 . 2 1 1 A 51 51 ARG CB C 136 30.519 28.487 2.032 1 1 115 . 2 1 1 A 51 51 ARG N N 136 126.460 117.582 8.878 1 1 117 . 2 1 1 A 52 52 PRO HA H 137 4.413 4.617 -0.204 1 1 124 . 2 1 1 A 52 52 PRO CA C 137 62.198 64.602 -2.404 1 1 125 . 2 1 1 A 52 52 PRO CB C 137 32.165 31.933 0.232 1 1 128 . 2 1 1 A 53 53 ILE H H 138 8.647 7.663 0.984 1 1 129 . 2 1 1 A 53 53 ILE HA H 138 4.160 4.230 -0.070 1 1 139 . 2 1 1 A 53 53 ILE CA C 138 60.851 60.471 0.380 1 1 140 . 2 1 1 A 53 53 ILE CB C 138 36.101 37.163 -1.062 1 1 144 . 2 1 1 A 53 53 ILE N N 138 122.534 118.117 4.417 1 1 145 . 2 1 1 A 54 54 ILE H H 139 6.485 8.125 -1.640 1 1 146 . 2 1 1 A 54 54 ILE HA H 139 3.926 4.135 -0.209 1 1 156 . 2 1 1 A 54 54 ILE CA C 139 58.665 61.614 -2.949 1 1 157 . 2 1 1 A 54 54 ILE CB C 139 39.251 39.134 0.117 1 1 161 . 2 1 1 A 54 54 ILE N N 139 126.733 129.384 -2.651 1 1 162 . 2 1 1 A 55 55 HIS H H 140 8.249 8.585 -0.336 1 1 163 . 2 1 1 A 55 55 HIS HA H 140 4.935 4.796 0.139 1 1 167 . 2 1 1 A 55 55 HIS CA C 140 54.209 56.485 -2.276 1 1 168 . 2 1 1 A 55 55 HIS CB C 140 29.326 30.621 -1.295 1 1 170 . 2 1 1 A 55 55 HIS N N 140 122.048 126.142 -4.094 1 1 171 . 2 1 1 A 56 56 PHE H H 141 10.205 9.057 1.148 1 1 172 . 2 1 1 A 56 56 PHE HA H 141 4.360 4.683 -0.323 1 1 175 . 2 1 1 A 56 56 PHE CA C 141 59.367 59.317 0.050 1 1 176 . 2 1 1 A 56 56 PHE CB C 141 41.594 41.433 0.161 1 1 177 . 2 1 1 A 56 56 PHE N N 141 124.145 122.412 1.733 1 1 178 . 2 1 1 A 57 57 GLY H H 142 9.008 8.231 0.777 1 1 179 . 2 1 1 A 57 57 GLY HA2 H 142 3.835 4.085 -0.250 1 1 180 . 2 1 1 A 57 57 GLY HA3 H 142 4.168 4.101 0.067 1 1 181 . 2 1 1 A 57 57 GLY CA C 142 45.777 45.425 0.352 1 1 182 . 2 1 1 A 57 57 GLY N N 142 108.268 107.641 0.627 1 1 183 . 2 1 1 A 58 58 SER H H 143 7.327 8.000 -0.673 1 1 184 . 2 1 1 A 58 58 SER HA H 143 4.820 4.634 0.186 1 1 187 . 2 1 1 A 58 58 SER CA C 143 56.405 56.920 -0.515 1 1 188 . 2 1 1 A 58 58 SER CB C 143 66.034 64.044 1.990 1 1 189 . 2 1 1 A 58 58 SER N N 143 111.827 115.330 -3.503 1 1 190 . 2 1 1 A 59 59 ASP H H 144 9.051 8.850 0.201 1 1 191 . 2 1 1 A 59 59 ASP HA H 144 4.502 4.209 0.293 1 1 194 . 2 1 1 A 59 59 ASP CA C 144 57.676 57.611 0.065 1 1 195 . 2 1 1 A 59 59 ASP CB C 144 40.505 39.983 0.522 1 1 196 . 2 1 1 A 59 59 ASP N N 144 124.541 125.689 -1.148 1 1 197 . 2 1 1 A 60 60 TYR H H 145 8.571 7.637 0.934 1 1 198 . 2 1 1 A 60 60 TYR HA H 145 4.197 4.260 -0.063 1 1 205 . 2 1 1 A 60 60 TYR CA C 145 61.232 61.518 -0.286 1 1 206 . 2 1 1 A 60 60 TYR CB C 145 37.912 38.210 -0.298 1 1 209 . 2 1 1 A 60 60 TYR N N 145 118.914 119.121 -0.207 1 1 210 . 2 1 1 A 61 61 GLU H H 146 7.737 8.348 -0.611 1 1 211 . 2 1 1 A 61 61 GLU HA H 146 3.590 4.099 -0.509 1 1 216 . 2 1 1 A 61 61 GLU CA C 146 59.607 59.465 0.142 1 1 217 . 2 1 1 A 61 61 GLU CB C 146 30.059 28.844 1.215 1 1 219 . 2 1 1 A 61 61 GLU N N 146 118.985 119.125 -0.140 1 1 220 . 2 1 1 A 62 62 ASP H H 147 8.213 8.372 -0.159 1 1 221 . 2 1 1 A 62 62 ASP HA H 147 4.666 4.253 0.413 1 1 224 . 2 1 1 A 62 62 ASP CA C 147 58.292 57.092 1.200 1 1 225 . 2 1 1 A 62 62 ASP CB C 147 40.171 41.774 -1.603 1 1 226 . 2 1 1 A 62 62 ASP N N 147 119.785 119.845 -0.060 1 1 227 . 2 1 1 A 63 63 ARG H H 148 8.229 8.495 -0.266 1 1 228 . 2 1 1 A 63 63 ARG HA H 148 4.016 4.137 -0.121 1 1 236 . 2 1 1 A 63 63 ARG CA C 148 59.611 59.600 0.011 1 1 237 . 2 1 1 A 63 63 ARG CB C 148 30.059 29.801 0.258 1 1 240 . 2 1 1 A 63 63 ARG N N 148 120.339 118.629 1.710 1 1 242 . 2 1 1 A 64 64 TYR H H 149 8.340 8.012 0.328 1 1 243 . 2 1 1 A 64 64 TYR HA H 149 3.829 4.263 -0.434 1 1 250 . 2 1 1 A 64 64 TYR CA C 149 61.991 60.892 1.099 1 1 251 . 2 1 1 A 64 64 TYR CB C 149 38.417 38.167 0.250 1 1 254 . 2 1 1 A 64 64 TYR N N 149 121.093 122.112 -1.019 1 1 255 . 2 1 1 A 65 65 TYR H H 150 8.979 7.984 0.995 1 1 256 . 2 1 1 A 65 65 TYR HA H 150 4.132 3.894 0.238 1 1 263 . 2 1 1 A 65 65 TYR CA C 150 62.691 60.521 2.170 1 1 264 . 2 1 1 A 65 65 TYR CB C 150 38.025 38.734 -0.709 1 1 267 . 2 1 1 A 65 65 TYR N N 150 120.575 120.394 0.181 1 1 268 . 2 1 1 A 66 66 ARG H H 151 7.997 7.836 0.161 1 1 269 . 2 1 1 A 66 66 ARG HA H 151 3.925 3.964 -0.039 1 1 277 . 2 1 1 A 66 66 ARG CA C 151 60.050 59.531 0.519 1 1 278 . 2 1 1 A 66 66 ARG CB C 151 29.901 29.605 0.296 1 1 281 . 2 1 1 A 66 66 ARG N N 151 117.799 119.418 -1.619 1 1 283 . 2 1 1 A 67 67 GLU H H 152 8.076 8.095 -0.019 1 1 284 . 2 1 1 A 67 67 GLU HA H 152 4.082 4.007 0.075 1 1 289 . 2 1 1 A 67 67 GLU CA C 152 58.125 58.109 0.016 1 1 290 . 2 1 1 A 67 67 GLU CB C 152 29.743 29.589 0.154 1 1 292 . 2 1 1 A 67 67 GLU N N 152 116.601 117.666 -1.065 1 1 293 . 2 1 1 A 68 68 ASN H H 153 7.621 7.739 -0.118 1 1 294 . 2 1 1 A 68 68 ASN HA H 153 4.321 4.363 -0.042 1 1 299 . 2 1 1 A 68 68 ASN CA C 153 54.958 55.434 -0.476 1 1 300 . 2 1 1 A 68 68 ASN CB C 153 41.041 37.378 3.663 1 1 301 . 2 1 1 A 68 68 ASN N N 153 114.623 117.762 -3.139 1 1 303 . 2 1 1 A 69 69 MET H H 154 8.105 8.055 0.050 1 1 304 . 2 1 1 A 69 69 MET HA H 154 3.458 3.838 -0.380 1 1 312 . 2 1 1 A 69 69 MET CA C 154 59.104 58.043 1.061 1 1 313 . 2 1 1 A 69 69 MET CB C 154 30.533 32.066 -1.533 1 1 316 . 2 1 1 A 69 69 MET N N 154 119.633 117.276 2.357 1 1 317 . 2 1 1 A 70 70 HIS H H 155 8.070 7.901 0.169 1 1 319 . 2 1 1 A 70 70 HIS CA C 155 57.650 59.294 -1.644 1 1 320 . 2 1 1 A 70 70 HIS CB C 155 27.591 29.942 -2.351 1 1 322 . 2 1 1 A 70 70 HIS N N 155 115.018 118.978 -3.960 1 1 323 . 2 1 1 A 71 71 ARG H H 156 7.618 7.895 -0.277 1 1 325 . 2 1 1 A 71 71 ARG CA C 156 56.278 57.584 -1.306 1 1 326 . 2 1 1 A 71 71 ARG CB C 156 30.770 31.558 -0.788 1 1 329 . 2 1 1 A 71 71 ARG N N 156 118.197 117.652 0.545 1 1 331 . 2 1 1 A 72 72 TYR H H 157 7.473 8.431 -0.958 1 1 332 . 2 1 1 A 72 72 TYR HA H 157 5.034 4.733 0.301 1 1 339 . 2 1 1 A 72 72 TYR CA C 157 52.768 57.112 -4.344 1 1 340 . 2 1 1 A 72 72 TYR CB C 157 35.150 37.940 -2.790 1 1 343 . 2 1 1 A 72 72 TYR N N 157 120.873 119.273 1.600 1 1 344 . 2 1 1 A 73 73 PRO HA H 158 4.425 4.674 -0.249 1 1 351 . 2 1 1 A 73 73 PRO CA C 158 63.737 62.985 0.752 1 1 352 . 2 1 1 A 73 73 PRO CB C 158 32.071 32.437 -0.366 1 1 355 . 2 1 1 A 74 74 ASN H H 159 8.562 8.934 -0.372 1 1 356 . 2 1 1 A 74 74 ASN HA H 159 4.708 4.941 -0.233 1 1 361 . 2 1 1 A 74 74 ASN CA C 159 51.965 54.031 -2.066 1 1 362 . 2 1 1 A 74 74 ASN CB C 159 37.898 41.112 -3.214 1 1 363 . 2 1 1 A 74 74 ASN N N 159 116.213 119.441 -3.228 1 1 365 . 2 1 1 A 75 75 GLN H H 160 7.302 7.705 -0.403 1 1 366 . 2 1 1 A 75 75 GLN HA H 160 4.479 4.781 -0.302 1 1 371 . 2 1 1 A 75 75 GLN CA C 160 54.184 54.183 0.001 1 1 372 . 2 1 1 A 75 75 GLN CB C 160 34.167 33.010 1.157 1 1 373 . 2 1 1 A 75 75 GLN N N 160 114.122 115.406 -1.284 1 1 375 . 2 1 1 A 76 76 VAL H H 161 8.635 8.460 0.175 1 1 376 . 2 1 1 A 76 76 VAL HA H 161 4.916 4.984 -0.068 1 1 384 . 2 1 1 A 76 76 VAL CA C 161 58.557 59.462 -0.905 1 1 385 . 2 1 1 A 76 76 VAL CB C 161 33.635 35.946 -2.311 1 1 388 . 2 1 1 A 76 76 VAL N N 161 112.903 117.431 -4.528 1 1 389 . 2 1 1 A 77 77 TYR H H 162 8.554 9.066 -0.512 1 1 390 . 2 1 1 A 77 77 TYR HA H 162 5.440 5.169 0.271 1 1 397 . 2 1 1 A 77 77 TYR CA C 162 57.057 56.842 0.215 1 1 398 . 2 1 1 A 77 77 TYR CB C 162 42.147 42.853 -0.706 1 1 401 . 2 1 1 A 77 77 TYR N N 162 120.972 121.556 -0.584 1 1 402 . 2 1 1 A 78 78 TYR H H 163 8.686 9.078 -0.392 1 1 403 . 2 1 1 A 78 78 TYR HA H 163 4.797 5.462 -0.665 1 1 410 . 2 1 1 A 78 78 TYR CA C 163 55.484 55.941 -0.457 1 1 413 . 2 1 1 A 78 78 TYR N N 163 111.059 119.311 -8.252 1 1 429 . 2 1 1 A 86 86 ASN HA H 171 4.733 4.729 0.004 1 1 434 . 2 1 1 A 86 86 ASN CA C 171 52.388 53.760 -1.372 1 1 435 . 2 1 1 A 86 86 ASN CB C 171 39.935 39.030 0.905 1 1 437 . 2 1 1 A 87 87 GLN H H 172 8.740 9.002 -0.262 1 1 440 . 2 1 1 A 87 87 GLN CA C 172 59.906 59.318 0.588 1 1 441 . 2 1 1 A 87 87 GLN CB C 172 29.065 28.385 0.680 1 1 443 . 2 1 1 A 87 87 GLN N N 172 121.279 123.467 -2.188 1 1 445 . 2 1 1 A 88 88 ASN H H 173 8.427 8.268 0.159 1 1 446 . 2 1 1 A 88 88 ASN HA H 173 4.255 4.571 -0.316 1 1 451 . 2 1 1 A 88 88 ASN CA C 173 56.396 56.353 0.043 1 1 452 . 2 1 1 A 88 88 ASN CB C 173 37.912 38.317 -0.405 1 1 453 . 2 1 1 A 88 88 ASN N N 173 116.210 118.032 -1.822 1 1 455 . 2 1 1 A 89 89 ASN H H 174 8.542 8.225 0.317 1 1 456 . 2 1 1 A 89 89 ASN HA H 174 4.509 4.538 -0.029 1 1 461 . 2 1 1 A 89 89 ASN CA C 174 56.013 56.439 -0.426 1 1 462 . 2 1 1 A 89 89 ASN CB C 174 38.359 37.891 0.468 1 1 463 . 2 1 1 A 89 89 ASN N N 174 118.573 118.588 -0.015 1 1 465 . 2 1 1 A 90 90 PHE H H 175 8.113 8.510 -0.397 1 1 466 . 2 1 1 A 90 90 PHE CA C 175 61.432 61.321 0.111 1 1 467 . 2 1 1 A 90 90 PHE N N 175 120.437 122.087 -1.650 1 1 468 . 2 1 1 A 91 91 VAL H H 176 9.215 8.183 1.032 1 1 469 . 2 1 1 A 91 91 VAL HA H 176 3.608 3.681 -0.073 1 1 477 . 2 1 1 A 91 91 VAL CA C 176 67.888 66.772 1.116 1 1 478 . 2 1 1 A 91 91 VAL CB C 176 32.042 31.598 0.444 1 1 480 . 2 1 1 A 91 91 VAL N N 176 120.071 119.788 0.283 1 1 481 . 2 1 1 A 92 92 HIS H H 177 8.497 8.381 0.116 1 1 482 . 2 1 1 A 92 92 HIS HA H 177 4.353 4.286 0.067 1 1 485 . 2 1 1 A 92 92 HIS CA C 177 59.251 59.500 -0.249 1 1 486 . 2 1 1 A 92 92 HIS CB C 177 28.104 29.558 -1.454 1 1 487 . 2 1 1 A 92 92 HIS N N 177 117.399 118.096 -0.697 1 1 488 . 2 1 1 A 93 93 ASN H H 178 7.860 8.031 -0.171 1 1 489 . 2 1 1 A 93 93 ASN HA H 178 4.521 4.269 0.252 1 1 494 . 2 1 1 A 93 93 ASN CA C 178 56.244 56.960 -0.716 1 1 495 . 2 1 1 A 93 93 ASN CB C 178 37.934 39.561 -1.627 1 1 496 . 2 1 1 A 93 93 ASN N N 178 116.474 118.074 -1.600 1 1 498 . 2 1 1 A 94 94 CYS H H 179 8.133 7.808 0.325 1 1 499 . 2 1 1 A 94 94 CYS CA C 179 58.595 62.283 -3.688 1 1 500 . 2 1 1 A 94 94 CYS CB C 179 40.911 27.391 13.520 1 1 501 . 2 1 1 A 94 94 CYS N N 179 120.418 118.801 1.617 1 1 502 . 2 1 1 A 95 95 VAL H H 180 9.280 7.710 1.570 1 1 503 . 2 1 1 A 95 95 VAL HA H 180 3.654 3.422 0.232 1 1 511 . 2 1 1 A 95 95 VAL CA C 180 66.400 66.904 -0.504 1 1 512 . 2 1 1 A 95 95 VAL CB C 180 31.912 31.547 0.365 1 1 515 . 2 1 1 A 95 95 VAL N N 180 125.212 120.802 4.410 1 1 516 . 2 1 1 A 96 96 ASN H H 181 7.696 8.003 -0.307 1 1 517 . 2 1 1 A 96 96 ASN HA H 181 4.321 4.464 -0.143 1 1 522 . 2 1 1 A 96 96 ASN CA C 181 56.419 56.725 -0.306 1 1 523 . 2 1 1 A 96 96 ASN CB C 181 38.654 38.601 0.053 1 1 524 . 2 1 1 A 96 96 ASN N N 181 115.816 118.450 -2.634 1 1 526 . 2 1 1 A 97 97 ILE H H 182 8.385 7.499 0.886 1 1 527 . 2 1 1 A 97 97 ILE HA H 182 3.726 3.652 0.074 1 1 537 . 2 1 1 A 97 97 ILE CA C 182 62.446 65.287 -2.841 1 1 538 . 2 1 1 A 97 97 ILE CB C 182 36.464 37.539 -1.075 1 1 542 . 2 1 1 A 97 97 ILE N N 182 118.191 119.540 -1.349 1 1 543 . 2 1 1 A 98 98 THR H H 183 8.157 7.661 0.496 1 1 544 . 2 1 1 A 98 98 THR HA H 183 4.078 3.972 0.106 1 1 549 . 2 1 1 A 98 98 THR CA C 183 68.807 66.802 2.005 1 1 550 . 2 1 1 A 98 98 THR CB C 183 68.239 68.855 -0.616 1 1 552 . 2 1 1 A 98 98 THR N N 183 117.797 117.041 0.756 1 1 553 . 2 1 1 A 99 99 ILE H H 184 8.528 7.660 0.868 1 1 554 . 2 1 1 A 99 99 ILE HA H 184 3.727 3.578 0.149 1 1 564 . 2 1 1 A 99 99 ILE CA C 184 65.621 65.171 0.450 1 1 565 . 2 1 1 A 99 99 ILE CB C 184 36.531 37.253 -0.722 1 1 569 . 2 1 1 A 99 99 ILE N N 184 120.576 121.143 -0.567 1 1 570 . 2 1 1 A 100 100 LYS H H 185 7.953 8.271 -0.318 1 1 571 . 2 1 1 A 100 100 LYS HA H 185 4.068 3.926 0.142 1 1 580 . 2 1 1 A 100 100 LYS CA C 185 59.636 59.800 -0.164 1 1 581 . 2 1 1 A 100 100 LYS CB C 185 31.989 32.557 -0.568 1 1 585 . 2 1 1 A 100 100 LYS N N 185 122.562 121.436 1.126 1 1 586 . 2 1 1 A 101 101 GLN H H 186 8.376 7.888 0.488 1 1 589 . 2 1 1 A 101 101 GLN CA C 186 57.741 58.681 -0.940 1 1 590 . 2 1 1 A 101 101 GLN N N 186 116.213 118.420 -2.207 1 1 592 . 2 1 1 A 102 102 HIS H H 187 8.199 7.990 0.209 1 1 593 . 2 1 1 A 102 102 HIS HA H 187 4.593 4.280 0.313 1 1 596 . 2 1 1 A 102 102 HIS CA C 187 59.062 59.336 -0.274 1 1 597 . 2 1 1 A 102 102 HIS CB C 187 30.384 29.960 0.424 1 1 598 . 2 1 1 A 102 102 HIS N N 187 118.199 121.085 -2.886 1 1 599 . 2 1 1 A 103 103 THR H H 188 8.245 8.101 0.144 1 1 600 . 2 1 1 A 103 103 THR HA H 188 4.184 3.922 0.262 1 1 605 . 2 1 1 A 103 103 THR CA C 188 65.017 65.528 -0.511 1 1 606 . 2 1 1 A 103 103 THR CB C 188 69.167 68.357 0.810 1 1 608 . 2 1 1 A 103 103 THR N N 188 113.748 114.280 -0.532 1 1 609 . 2 1 1 A 104 104 VAL H H 189 8.013 7.839 0.174 1 1 610 . 2 1 1 A 104 104 VAL HA H 189 4.004 3.509 0.495 1 1 618 . 2 1 1 A 104 104 VAL CA C 189 65.151 66.842 -1.691 1 1 619 . 2 1 1 A 104 104 VAL CB C 189 31.743 31.539 0.204 1 1 622 . 2 1 1 A 104 104 VAL N N 189 122.142 122.414 -0.272 1 1 623 . 2 1 1 A 105 105 THR H H 190 8.092 7.650 0.442 1 1 624 . 2 1 1 A 105 105 THR HA H 190 4.250 3.955 0.295 1 1 629 . 2 1 1 A 105 105 THR CA C 190 64.314 65.576 -1.262 1 1 630 . 2 1 1 A 105 105 THR CB C 190 69.159 68.045 1.114 1 1 632 . 2 1 1 A 105 105 THR N N 190 115.022 116.459 -1.437 1 1 633 . 2 1 1 A 106 106 THR H H 191 8.017 7.479 0.538 1 1 634 . 2 1 1 A 106 106 THR HA H 191 4.214 3.951 0.263 1 1 639 . 2 1 1 A 106 106 THR CA C 191 63.874 65.665 -1.791 1 1 640 . 2 1 1 A 106 106 THR CB C 191 69.009 68.356 0.653 1 1 642 . 2 1 1 A 106 106 THR N N 191 114.622 116.587 -1.965 1 1 643 . 2 1 1 A 107 107 THR H H 192 8.194 7.857 0.337 1 1 644 . 2 1 1 A 107 107 THR CA C 192 64.201 65.710 -1.509 1 1 645 . 2 1 1 A 107 107 THR CB C 192 69.159 68.390 0.769 1 1 647 . 2 1 1 A 107 107 THR N N 192 116.611 116.626 -0.015 1 1 648 . 2 1 1 A 108 108 THR H H 193 7.932 8.177 -0.245 1 1 649 . 2 1 1 A 108 108 THR CA C 193 63.871 65.085 -1.214 1 1 650 . 2 1 1 A 108 108 THR CB C 193 69.002 68.907 0.095 1 1 652 . 2 1 1 A 108 108 THR N N 193 116.096 115.463 0.633 1 1 653 . 2 1 1 A 109 109 LYS H H 194 7.821 7.828 -0.007 1 1 654 . 2 1 1 A 109 109 LYS HA H 194 4.364 4.406 -0.042 1 1 663 . 2 1 1 A 109 109 LYS CA C 194 56.285 55.928 0.357 1 1 664 . 2 1 1 A 109 109 LYS CB C 194 32.636 33.516 -0.880 1 1 668 . 2 1 1 A 109 109 LYS N N 194 120.975 117.815 3.160 1 1 669 . 2 1 1 A 110 110 GLY H H 195 8.109 8.064 0.045 1 1 670 . 2 1 1 A 110 110 GLY HA2 H 195 3.858 3.931 -0.073 1 1 671 . 2 1 1 A 110 110 GLY HA3 H 195 4.083 3.932 0.151 1 1 672 . 2 1 1 A 110 110 GLY CA C 195 45.511 46.254 -0.743 1 1 673 . 2 1 1 A 110 110 GLY N N 195 108.675 109.799 -1.124 1 1 674 . 2 1 1 A 111 111 GLU H H 196 7.706 8.007 -0.301 1 1 675 . 2 1 1 A 111 111 GLU HA H 196 4.258 4.850 -0.592 1 1 680 . 2 1 1 A 111 111 GLU CA C 196 55.837 54.558 1.279 1 1 681 . 2 1 1 A 111 111 GLU CB C 196 30.673 32.811 -2.138 1 1 683 . 2 1 1 A 111 111 GLU N N 196 120.028 119.610 0.418 1 1 684 . 2 1 1 A 112 112 ASN H H 197 8.460 8.712 -0.252 1 1 685 . 2 1 1 A 112 112 ASN HA H 197 4.668 5.455 -0.787 1 1 690 . 2 1 1 A 112 112 ASN CA C 197 52.923 51.979 0.944 1 1 691 . 2 1 1 A 112 112 ASN CB C 197 40.491 42.082 -1.591 1 1 692 . 2 1 1 A 112 112 ASN N N 197 119.716 117.861 1.855 1 1 694 . 2 1 1 A 113 113 PHE H H 198 8.655 8.832 -0.177 1 1 695 . 2 1 1 A 113 113 PHE HA H 198 5.262 5.253 0.009 1 1 698 . 2 1 1 A 113 113 PHE CA C 198 56.640 56.132 0.508 1 1 699 . 2 1 1 A 113 113 PHE CB C 198 39.899 41.811 -1.912 1 1 700 . 2 1 1 A 113 113 PHE N N 198 122.046 117.935 4.111 1 1 701 . 2 1 1 A 114 114 THR H H 199 9.506 8.899 0.607 1 1 702 . 2 1 1 A 114 114 THR HA H 199 4.625 4.662 -0.037 1 1 707 . 2 1 1 A 114 114 THR CA C 199 60.305 60.472 -0.167 1 1 708 . 2 1 1 A 114 114 THR CB C 199 72.033 71.469 0.564 1 1 710 . 2 1 1 A 114 114 THR N N 199 116.124 113.731 2.393 1 1 711 . 2 1 1 A 115 115 GLU H H 200 9.120 9.102 0.018 1 1 712 . 2 1 1 A 115 115 GLU HA H 200 4.051 4.143 -0.092 1 1 717 . 2 1 1 A 115 115 GLU CA C 200 59.877 59.186 0.691 1 1 718 . 2 1 1 A 115 115 GLU CB C 200 28.787 29.177 -0.390 1 1 720 . 2 1 1 A 115 115 GLU N N 200 119.993 120.693 -0.700 1 1 721 . 2 1 1 A 116 116 THR H H 201 7.955 7.745 0.210 1 1 722 . 2 1 1 A 116 116 THR HA H 201 3.794 4.048 -0.254 1 1 727 . 2 1 1 A 116 116 THR CA C 201 66.734 66.768 -0.034 1 1 728 . 2 1 1 A 116 116 THR CB C 201 68.624 68.921 -0.297 1 1 730 . 2 1 1 A 116 116 THR N N 201 116.160 117.011 -0.851 1 1 731 . 2 1 1 A 117 117 ASP H H 202 7.505 7.813 -0.308 1 1 732 . 2 1 1 A 117 117 ASP HA H 202 4.577 4.594 -0.017 1 1 735 . 2 1 1 A 117 117 ASP CA C 202 58.057 57.263 0.794 1 1 736 . 2 1 1 A 117 117 ASP CB C 202 41.747 41.251 0.496 1 1 737 . 2 1 1 A 117 117 ASP N N 202 120.175 121.767 -1.592 1 1 738 . 2 1 1 A 118 118 VAL H H 203 8.236 8.462 -0.226 1 1 739 . 2 1 1 A 118 118 VAL HA H 203 3.324 3.922 -0.598 1 1 747 . 2 1 1 A 118 118 VAL CA C 203 67.799 65.126 2.673 1 1 748 . 2 1 1 A 118 118 VAL CB C 203 31.269 30.883 0.386 1 1 751 . 2 1 1 A 118 118 VAL N N 203 119.654 118.945 0.709 1 1 752 . 2 1 1 A 119 119 LYS H H 204 7.740 7.440 0.300 1 1 753 . 2 1 1 A 119 119 LYS HA H 204 4.090 4.120 -0.030 1 1 762 . 2 1 1 A 119 119 LYS CA C 204 59.368 59.715 -0.347 1 1 763 . 2 1 1 A 119 119 LYS CB C 204 32.165 32.305 -0.140 1 1 767 . 2 1 1 A 119 119 LYS N N 204 119.288 122.393 -3.105 1 1 768 . 2 1 1 A 120 120 MET H H 205 8.235 8.582 -0.347 1 1 769 . 2 1 1 A 120 120 MET HA H 205 4.158 4.573 -0.415 1 1 777 . 2 1 1 A 120 120 MET CA C 205 59.819 58.749 1.070 1 1 778 . 2 1 1 A 120 120 MET CB C 205 33.078 32.482 0.596 1 1 781 . 2 1 1 A 120 120 MET N N 205 118.767 118.688 0.079 1 1 782 . 2 1 1 A 121 121 MET H H 206 8.755 8.329 0.426 1 1 783 . 2 1 1 A 121 121 MET HA H 206 3.580 3.896 -0.316 1 1 791 . 2 1 1 A 121 121 MET CA C 206 59.639 58.271 1.368 1 1 792 . 2 1 1 A 121 121 MET CB C 206 32.777 32.594 0.183 1 1 795 . 2 1 1 A 121 121 MET N N 206 118.428 119.024 -0.596 1 1 796 . 2 1 1 A 122 122 GLU H H 207 8.419 7.763 0.656 1 1 797 . 2 1 1 A 122 122 GLU HA H 207 3.688 4.103 -0.415 1 1 802 . 2 1 1 A 122 122 GLU CA C 207 60.390 59.382 1.008 1 1 803 . 2 1 1 A 122 122 GLU CB C 207 28.448 29.291 -0.843 1 1 805 . 2 1 1 A 122 122 GLU N N 207 118.469 118.521 -0.052 1 1 806 . 2 1 1 A 123 123 ARG H H 208 7.344 7.739 -0.395 1 1 807 . 2 1 1 A 123 123 ARG HA H 208 4.163 4.111 0.052 1 1 815 . 2 1 1 A 123 123 ARG CA C 208 58.537 58.978 -0.441 1 1 816 . 2 1 1 A 123 123 ARG CB C 208 29.925 29.902 0.023 1 1 819 . 2 1 1 A 123 123 ARG N N 208 116.990 121.599 -4.609 1 1 821 . 2 1 1 A 124 124 VAL H H 209 8.299 7.714 0.585 1 1 822 . 2 1 1 A 124 124 VAL HA H 209 3.798 3.914 -0.116 1 1 830 . 2 1 1 A 124 124 VAL CA C 209 65.995 64.959 1.036 1 1 831 . 2 1 1 A 124 124 VAL CB C 209 32.075 31.718 0.357 1 1 834 . 2 1 1 A 124 124 VAL N N 209 119.301 119.100 0.201 1 1 835 . 2 1 1 A 125 125 VAL H H 210 9.016 8.108 0.908 1 1 836 . 2 1 1 A 125 125 VAL HA H 210 3.643 3.525 0.118 1 1 844 . 2 1 1 A 125 125 VAL CA C 210 66.591 66.748 -0.157 1 1 845 . 2 1 1 A 125 125 VAL CB C 210 31.836 31.271 0.565 1 1 848 . 2 1 1 A 125 125 VAL N N 210 121.312 121.090 0.222 1 1 849 . 2 1 1 A 126 126 GLU H H 211 8.153 7.988 0.165 1 1 850 . 2 1 1 A 126 126 GLU HA H 211 3.622 3.940 -0.318 1 1 855 . 2 1 1 A 126 126 GLU CA C 211 60.997 59.380 1.617 1 1 856 . 2 1 1 A 126 126 GLU CB C 211 28.921 29.237 -0.316 1 1 858 . 2 1 1 A 126 126 GLU N N 211 120.456 119.561 0.895 1 1 859 . 2 1 1 A 127 127 GLN H H 212 7.274 7.539 -0.265 1 1 862 . 2 1 1 A 127 127 GLN CA C 212 58.803 58.910 -0.107 1 1 863 . 2 1 1 A 127 127 GLN N N 212 115.025 119.205 -4.180 1 1 865 . 2 1 1 A 128 128 MET H H 213 8.324 7.929 0.395 1 1 866 . 2 1 1 A 128 128 MET HA H 213 4.146 4.164 -0.018 1 1 872 . 2 1 1 A 128 128 MET CA C 213 59.976 58.191 1.785 1 1 873 . 2 1 1 A 128 128 MET CB C 213 31.911 31.976 -0.065 1 1 875 . 2 1 1 A 128 128 MET N N 213 119.344 118.769 0.575 1 1 876 . 2 1 1 A 129 129 CYS H H 214 9.219 8.020 1.199 1 1 877 . 2 1 1 A 129 129 CYS CA C 214 59.821 63.532 -3.711 1 1 878 . 2 1 1 A 129 129 CYS N N 214 118.992 117.422 1.570 1 1 879 . 2 1 1 A 130 130 ILE H H 215 8.340 7.453 0.887 1 1 880 . 2 1 1 A 130 130 ILE HA H 215 3.563 3.774 -0.211 1 1 890 . 2 1 1 A 130 130 ILE CA C 215 66.751 63.984 2.767 1 1 891 . 2 1 1 A 130 130 ILE CB C 215 37.814 36.214 1.600 1 1 895 . 2 1 1 A 130 130 ILE N N 215 123.750 121.624 2.126 1 1 896 . 2 1 1 A 131 131 THR H H 216 8.142 7.862 0.280 1 1 897 . 2 1 1 A 131 131 THR HA H 216 3.940 3.858 0.082 1 1 902 . 2 1 1 A 131 131 THR CA C 216 66.898 66.895 0.003 1 1 903 . 2 1 1 A 131 131 THR CB C 216 69.608 68.205 1.403 1 1 905 . 2 1 1 A 131 131 THR N N 216 118.528 118.132 0.396 1 1 906 . 2 1 1 A 132 132 GLN H H 217 8.687 7.416 1.271 1 1 907 . 2 1 1 A 132 132 GLN HA H 217 3.688 4.035 -0.347 1 1 914 . 2 1 1 A 132 132 GLN CA C 217 58.527 58.498 0.029 1 1 915 . 2 1 1 A 132 132 GLN CB C 217 28.353 28.293 0.060 1 1 917 . 2 1 1 A 132 132 GLN N N 217 121.765 118.652 3.113 1 1 919 . 2 1 1 A 133 133 TYR HA H 218 4.532 4.842 -0.310 1 1 926 . 2 1 1 A 133 133 TYR CA C 218 55.867 56.887 -1.020 1 1 927 . 2 1 1 A 133 133 TYR CB C 218 37.912 38.500 -0.588 1 1 930 . 2 1 1 A 134 134 GLU H H 219 8.293 8.966 -0.673 1 1 931 . 2 1 1 A 134 134 GLU HA H 219 3.689 4.126 -0.437 1 1 936 . 2 1 1 A 134 134 GLU CA C 219 59.268 59.262 0.006 1 1 937 . 2 1 1 A 134 134 GLU CB C 219 28.324 29.143 -0.819 1 1 939 . 2 1 1 A 134 134 GLU N N 219 120.400 124.377 -3.977 1 1 940 . 2 1 1 A 135 135 ARG H H 220 7.887 8.218 -0.331 1 1 941 . 2 1 1 A 135 135 ARG HA H 220 3.981 4.022 -0.041 1 1 949 . 2 1 1 A 135 135 ARG CA C 220 59.266 59.351 -0.085 1 1 950 . 2 1 1 A 135 135 ARG CB C 220 30.337 29.909 0.428 1 1 953 . 2 1 1 A 135 135 ARG N N 220 118.589 120.173 -1.584 1 1 955 . 2 1 1 A 137 137 SER HA H 222 3.954 4.227 -0.273 1 1 958 . 2 1 1 A 137 137 SER CA C 222 60.572 61.651 -1.079 1 1 959 . 2 1 1 A 137 137 SER CB C 222 62.761 62.994 -0.233 1 1 960 . 2 1 1 A 138 138 GLN H H 223 7.624 7.588 0.036 1 1 961 . 2 1 1 A 138 138 GLN HA H 223 4.153 4.116 0.037 1 1 968 . 2 1 1 A 138 138 GLN CA C 223 57.658 58.568 -0.910 1 1 969 . 2 1 1 A 138 138 GLN CB C 223 28.370 28.739 -0.369 1 1 971 . 2 1 1 A 138 138 GLN N N 223 120.575 120.744 -0.169 1 1 973 . 2 1 1 A 139 139 ALA H H 224 7.627 7.704 -0.077 1 1 974 . 2 1 1 A 139 139 ALA HA H 224 4.156 4.146 0.010 1 1 978 . 2 1 1 A 139 139 ALA CA C 224 54.017 54.946 -0.929 1 1 979 . 2 1 1 A 139 139 ALA CB C 224 18.645 18.281 0.364 1 1 980 . 2 1 1 A 139 139 ALA N N 224 121.263 121.616 -0.353 1 1 981 . 2 1 1 A 140 140 TYR H H 225 8.048 7.757 0.291 1 1 982 . 2 1 1 A 140 140 TYR HA H 225 4.204 4.310 -0.106 1 1 989 . 2 1 1 A 140 140 TYR CA C 225 59.890 61.164 -1.274 1 1 990 . 2 1 1 A 140 140 TYR CB C 225 38.994 38.604 0.390 1 1 993 . 2 1 1 A 140 140 TYR N N 225 118.980 120.048 -1.068 1 1 994 . 2 1 1 A 141 141 TYR H H 226 7.948 7.710 0.238 1 1 995 . 2 1 1 A 141 141 TYR HA H 226 4.375 4.093 0.282 1 1 1002 . 2 1 1 A 141 141 TYR CA C 226 59.036 61.452 -2.416 1 1 1003 . 2 1 1 A 141 141 TYR CB C 226 38.060 38.986 -0.926 1 1 1006 . 2 1 1 A 141 141 TYR N N 226 118.596 121.169 -2.573 1 1 1007 . 2 1 1 A 142 142 GLN H H 227 7.941 7.695 0.246 1 1 1008 . 2 1 1 A 142 142 GLN HA H 227 4.240 4.482 -0.242 1 1 1015 . 2 1 1 A 142 142 GLN CA C 227 56.346 55.520 0.826 1 1 1016 . 2 1 1 A 142 142 GLN CB C 227 28.912 29.807 -0.895 1 1 1018 . 2 1 1 A 142 142 GLN N N 227 119.883 119.481 0.402 1 1 1020 . 2 1 1 A 143 143 ARG H H 228 7.966 8.432 -0.466 1 1 1021 . 2 1 1 A 143 143 ARG HA H 228 4.244 4.954 -0.710 1 1 1029 . 2 1 1 A 143 143 ARG CA C 228 56.719 55.012 1.707 1 1 1030 . 2 1 1 A 143 143 ARG CB C 228 30.731 32.405 -1.674 1 1 1033 . 2 1 1 A 143 143 ARG N N 228 120.871 123.438 -2.567 1 1 1035 . 2 1 1 A 144 144 GLY H H 229 8.247 8.291 -0.044 1 1 1036 . 2 1 1 A 144 144 GLY HA2 H 229 3.992 4.139 -0.147 1 1 1037 . 2 1 1 A 144 144 GLY HA3 H 229 3.992 4.144 -0.152 1 1 1038 . 2 1 1 A 144 144 GLY CA C 229 45.359 45.664 -0.305 1 1 1039 . 2 1 1 A 144 144 GLY N N 229 109.072 107.404 1.668 1 1 1040 . 2 1 1 A 145 145 SER H H 230 8.139 8.610 -0.471 1 1 1041 . 2 1 1 A 145 145 SER HA H 230 4.506 4.427 0.079 1 1 1044 . 2 1 1 A 145 145 SER CA C 230 58.123 60.783 -2.660 1 1 1045 . 2 1 1 A 145 145 SER CB C 230 63.878 62.304 1.574 1 1 1046 . 2 1 1 A 145 145 SER N N 230 115.684 116.085 -0.401 1 1 16 . 3 1 1 A 41 41 GLY H H 126 8.484 8.775 -0.291 1 1 17 . 3 1 1 A 41 41 GLY HA2 H 126 3.861 3.821 0.040 1 1 18 . 3 1 1 A 41 41 GLY HA3 H 126 3.920 3.886 0.034 1 1 19 . 3 1 1 A 41 41 GLY CA C 126 46.260 47.127 -0.867 1 1 20 . 3 1 1 A 41 41 GLY N N 126 109.470 111.088 -1.618 1 1 21 . 3 1 1 A 42 42 GLY H H 127 8.326 8.311 0.015 1 1 22 . 3 1 1 A 42 42 GLY HA2 H 127 3.749 4.058 -0.309 1 1 23 . 3 1 1 A 42 42 GLY HA3 H 127 3.900 4.221 -0.321 1 1 24 . 3 1 1 A 42 42 GLY CA C 127 45.226 45.420 -0.194 1 1 25 . 3 1 1 A 42 42 GLY N N 127 109.020 106.930 2.090 1 1 26 . 3 1 1 A 43 43 TYR H H 128 7.692 8.830 -1.138 1 1 27 . 3 1 1 A 43 43 TYR HA H 128 4.675 5.237 -0.562 1 1 34 . 3 1 1 A 43 43 TYR CA C 128 57.271 57.256 0.015 1 1 35 . 3 1 1 A 43 43 TYR CB C 128 40.257 39.748 0.509 1 1 38 . 3 1 1 A 43 43 TYR N N 128 117.301 123.167 -5.866 1 1 39 . 3 1 1 A 44 44 VAL H H 129 8.974 8.996 -0.022 1 1 40 . 3 1 1 A 44 44 VAL HA H 129 4.344 4.294 0.050 1 1 48 . 3 1 1 A 44 44 VAL CA C 129 59.555 62.798 -3.243 1 1 49 . 3 1 1 A 44 44 VAL CB C 129 34.728 32.874 1.854 1 1 52 . 3 1 1 A 44 44 VAL N N 129 118.589 126.534 -7.945 1 1 53 . 3 1 1 A 45 45 LEU H H 130 8.029 8.508 -0.479 1 1 62 . 3 1 1 A 45 45 LEU N N 130 123.350 127.468 -4.118 1 1 63 . 3 1 1 A 46 46 GLY H H 131 9.278 8.341 0.937 1 1 64 . 3 1 1 A 46 46 GLY CA C 131 44.842 45.849 -1.007 1 1 65 . 3 1 1 A 46 46 GLY N N 131 114.623 110.410 4.213 1 1 66 . 3 1 1 A 47 47 SER H H 132 8.315 8.842 -0.527 1 1 67 . 3 1 1 A 47 47 SER HA H 132 4.438 4.230 0.208 1 1 70 . 3 1 1 A 47 47 SER CA C 132 58.520 61.302 -2.782 1 1 71 . 3 1 1 A 47 47 SER CB C 132 64.166 62.739 1.427 1 1 72 . 3 1 1 A 47 47 SER N N 132 113.038 117.835 -4.797 1 1 73 . 3 1 1 A 48 48 ALA H H 133 8.736 7.467 1.269 1 1 74 . 3 1 1 A 48 48 ALA HA H 133 4.425 4.493 -0.068 1 1 78 . 3 1 1 A 48 48 ALA CA C 133 53.090 51.476 1.614 1 1 79 . 3 1 1 A 48 48 ALA CB C 133 18.465 22.446 -3.981 1 1 80 . 3 1 1 A 48 48 ALA N N 133 125.270 119.736 5.534 1 1 81 . 3 1 1 A 49 49 MET H H 134 8.758 8.804 -0.046 1 1 82 . 3 1 1 A 49 49 MET HA H 134 4.754 5.276 -0.522 1 1 90 . 3 1 1 A 49 49 MET CA C 134 53.972 54.276 -0.304 1 1 91 . 3 1 1 A 49 49 MET CB C 134 37.222 36.112 1.110 1 1 94 . 3 1 1 A 49 49 MET N N 134 120.911 117.584 3.327 1 1 95 . 3 1 1 A 50 50 SER H H 135 8.430 8.897 -0.467 1 1 96 . 3 1 1 A 50 50 SER HA H 135 4.356 4.623 -0.267 1 1 99 . 3 1 1 A 50 50 SER CA C 135 58.630 57.069 1.561 1 1 100 . 3 1 1 A 50 50 SER CB C 135 63.575 64.799 -1.224 1 1 101 . 3 1 1 A 50 50 SER N N 135 116.162 118.065 -1.903 1 1 102 . 3 1 1 A 51 51 ARG H H 136 8.646 8.899 -0.253 1 1 103 . 3 1 1 A 51 51 ARG HA H 136 4.434 3.865 0.569 1 1 111 . 3 1 1 A 51 51 ARG CA C 136 54.863 56.560 -1.697 1 1 112 . 3 1 1 A 51 51 ARG CB C 136 30.519 28.467 2.052 1 1 115 . 3 1 1 A 51 51 ARG N N 136 126.460 123.332 3.128 1 1 117 . 3 1 1 A 52 52 PRO HA H 137 4.413 4.462 -0.049 1 1 124 . 3 1 1 A 52 52 PRO CA C 137 62.198 64.432 -2.234 1 1 125 . 3 1 1 A 52 52 PRO CB C 137 32.165 31.528 0.637 1 1 128 . 3 1 1 A 53 53 ILE H H 138 8.647 7.446 1.201 1 1 129 . 3 1 1 A 53 53 ILE HA H 138 4.160 3.998 0.162 1 1 139 . 3 1 1 A 53 53 ILE CA C 138 60.851 61.291 -0.440 1 1 140 . 3 1 1 A 53 53 ILE CB C 138 36.101 37.861 -1.760 1 1 144 . 3 1 1 A 53 53 ILE N N 138 122.534 118.066 4.468 1 1 145 . 3 1 1 A 54 54 ILE H H 139 6.485 8.727 -2.242 1 1 146 . 3 1 1 A 54 54 ILE HA H 139 3.926 4.995 -1.069 1 1 156 . 3 1 1 A 54 54 ILE CA C 139 58.665 58.517 0.148 1 1 157 . 3 1 1 A 54 54 ILE CB C 139 39.251 40.949 -1.698 1 1 161 . 3 1 1 A 54 54 ILE N N 139 126.733 129.126 -2.393 1 1 162 . 3 1 1 A 55 55 HIS H H 140 8.249 8.577 -0.328 1 1 163 . 3 1 1 A 55 55 HIS HA H 140 4.935 4.133 0.802 1 1 167 . 3 1 1 A 55 55 HIS CA C 140 54.209 56.952 -2.743 1 1 168 . 3 1 1 A 55 55 HIS CB C 140 29.326 29.777 -0.451 1 1 170 . 3 1 1 A 55 55 HIS N N 140 122.048 125.146 -3.098 1 1 171 . 3 1 1 A 56 56 PHE H H 141 10.205 8.360 1.845 1 1 172 . 3 1 1 A 56 56 PHE HA H 141 4.360 3.914 0.446 1 1 175 . 3 1 1 A 56 56 PHE CA C 141 59.367 60.869 -1.502 1 1 176 . 3 1 1 A 56 56 PHE CB C 141 41.594 39.501 2.093 1 1 177 . 3 1 1 A 56 56 PHE N N 141 124.145 124.219 -0.074 1 1 178 . 3 1 1 A 57 57 GLY H H 142 9.008 8.523 0.485 1 1 179 . 3 1 1 A 57 57 GLY HA2 H 142 3.835 4.061 -0.226 1 1 180 . 3 1 1 A 57 57 GLY HA3 H 142 4.168 4.076 0.092 1 1 181 . 3 1 1 A 57 57 GLY CA C 142 45.777 45.438 0.339 1 1 182 . 3 1 1 A 57 57 GLY N N 142 108.268 107.455 0.813 1 1 183 . 3 1 1 A 58 58 SER H H 143 7.327 7.972 -0.645 1 1 184 . 3 1 1 A 58 58 SER HA H 143 4.820 4.855 -0.035 1 1 187 . 3 1 1 A 58 58 SER CA C 143 56.405 57.393 -0.988 1 1 188 . 3 1 1 A 58 58 SER CB C 143 66.034 65.860 0.174 1 1 189 . 3 1 1 A 58 58 SER N N 143 111.827 115.846 -4.019 1 1 190 . 3 1 1 A 59 59 ASP H H 144 9.051 9.126 -0.075 1 1 191 . 3 1 1 A 59 59 ASP HA H 144 4.502 4.134 0.368 1 1 194 . 3 1 1 A 59 59 ASP CA C 144 57.676 57.445 0.231 1 1 195 . 3 1 1 A 59 59 ASP CB C 144 40.505 40.001 0.504 1 1 196 . 3 1 1 A 59 59 ASP N N 144 124.541 127.364 -2.823 1 1 197 . 3 1 1 A 60 60 TYR H H 145 8.571 7.723 0.848 1 1 198 . 3 1 1 A 60 60 TYR HA H 145 4.197 4.240 -0.043 1 1 205 . 3 1 1 A 60 60 TYR CA C 145 61.232 61.381 -0.149 1 1 206 . 3 1 1 A 60 60 TYR CB C 145 37.912 37.902 0.010 1 1 209 . 3 1 1 A 60 60 TYR N N 145 118.914 119.382 -0.468 1 1 210 . 3 1 1 A 61 61 GLU H H 146 7.737 8.370 -0.633 1 1 211 . 3 1 1 A 61 61 GLU HA H 146 3.590 4.223 -0.633 1 1 216 . 3 1 1 A 61 61 GLU CA C 146 59.607 59.529 0.078 1 1 217 . 3 1 1 A 61 61 GLU CB C 146 30.059 29.168 0.891 1 1 219 . 3 1 1 A 61 61 GLU N N 146 118.985 120.284 -1.299 1 1 220 . 3 1 1 A 62 62 ASP H H 147 8.213 8.530 -0.317 1 1 221 . 3 1 1 A 62 62 ASP HA H 147 4.666 4.483 0.183 1 1 224 . 3 1 1 A 62 62 ASP CA C 147 58.292 57.356 0.936 1 1 225 . 3 1 1 A 62 62 ASP CB C 147 40.171 41.456 -1.285 1 1 226 . 3 1 1 A 62 62 ASP N N 147 119.785 120.114 -0.329 1 1 227 . 3 1 1 A 63 63 ARG H H 148 8.229 7.984 0.245 1 1 228 . 3 1 1 A 63 63 ARG HA H 148 4.016 4.007 0.009 1 1 236 . 3 1 1 A 63 63 ARG CA C 148 59.611 59.780 -0.169 1 1 237 . 3 1 1 A 63 63 ARG CB C 148 30.059 29.987 0.072 1 1 240 . 3 1 1 A 63 63 ARG N N 148 120.339 119.364 0.975 1 1 242 . 3 1 1 A 64 64 TYR H H 149 8.340 8.438 -0.098 1 1 243 . 3 1 1 A 64 64 TYR HA H 149 3.829 4.319 -0.490 1 1 250 . 3 1 1 A 64 64 TYR CA C 149 61.991 61.024 0.967 1 1 251 . 3 1 1 A 64 64 TYR CB C 149 38.417 38.243 0.174 1 1 254 . 3 1 1 A 64 64 TYR N N 149 121.093 121.414 -0.321 1 1 255 . 3 1 1 A 65 65 TYR H H 150 8.979 8.556 0.423 1 1 256 . 3 1 1 A 65 65 TYR HA H 150 4.132 4.197 -0.065 1 1 263 . 3 1 1 A 65 65 TYR CA C 150 62.691 61.203 1.488 1 1 264 . 3 1 1 A 65 65 TYR CB C 150 38.025 38.973 -0.948 1 1 267 . 3 1 1 A 65 65 TYR N N 150 120.575 121.204 -0.629 1 1 268 . 3 1 1 A 66 66 ARG H H 151 7.997 7.764 0.233 1 1 269 . 3 1 1 A 66 66 ARG HA H 151 3.925 3.894 0.031 1 1 277 . 3 1 1 A 66 66 ARG CA C 151 60.050 58.870 1.180 1 1 278 . 3 1 1 A 66 66 ARG CB C 151 29.901 29.421 0.480 1 1 281 . 3 1 1 A 66 66 ARG N N 151 117.799 118.857 -1.058 1 1 283 . 3 1 1 A 67 67 GLU H H 152 8.076 7.825 0.251 1 1 284 . 3 1 1 A 67 67 GLU HA H 152 4.082 3.978 0.104 1 1 289 . 3 1 1 A 67 67 GLU CA C 152 58.125 58.251 -0.126 1 1 290 . 3 1 1 A 67 67 GLU CB C 152 29.743 29.461 0.282 1 1 292 . 3 1 1 A 67 67 GLU N N 152 116.601 117.543 -0.942 1 1 293 . 3 1 1 A 68 68 ASN H H 153 7.621 7.968 -0.347 1 1 294 . 3 1 1 A 68 68 ASN HA H 153 4.321 4.582 -0.261 1 1 299 . 3 1 1 A 68 68 ASN CA C 153 54.958 56.141 -1.183 1 1 300 . 3 1 1 A 68 68 ASN CB C 153 41.041 38.486 2.555 1 1 301 . 3 1 1 A 68 68 ASN N N 153 114.623 119.150 -4.527 1 1 303 . 3 1 1 A 69 69 MET H H 154 8.105 8.250 -0.145 1 1 304 . 3 1 1 A 69 69 MET HA H 154 3.458 4.081 -0.623 1 1 312 . 3 1 1 A 69 69 MET CA C 154 59.104 57.934 1.170 1 1 313 . 3 1 1 A 69 69 MET CB C 154 30.533 31.935 -1.402 1 1 316 . 3 1 1 A 69 69 MET N N 154 119.633 117.731 1.902 1 1 317 . 3 1 1 A 70 70 HIS H H 155 8.070 7.908 0.162 1 1 319 . 3 1 1 A 70 70 HIS CA C 155 57.650 59.233 -1.583 1 1 320 . 3 1 1 A 70 70 HIS CB C 155 27.591 30.284 -2.693 1 1 322 . 3 1 1 A 70 70 HIS N N 155 115.018 117.888 -2.870 1 1 323 . 3 1 1 A 71 71 ARG H H 156 7.618 7.817 -0.199 1 1 325 . 3 1 1 A 71 71 ARG CA C 156 56.278 55.483 0.795 1 1 326 . 3 1 1 A 71 71 ARG CB C 156 30.770 30.693 0.077 1 1 329 . 3 1 1 A 71 71 ARG N N 156 118.197 115.692 2.505 1 1 331 . 3 1 1 A 72 72 TYR H H 157 7.473 7.921 -0.448 1 1 332 . 3 1 1 A 72 72 TYR HA H 157 5.034 4.724 0.310 1 1 339 . 3 1 1 A 72 72 TYR CA C 157 52.768 56.673 -3.905 1 1 340 . 3 1 1 A 72 72 TYR CB C 157 35.150 38.535 -3.385 1 1 343 . 3 1 1 A 72 72 TYR N N 157 120.873 119.252 1.621 1 1 344 . 3 1 1 A 73 73 PRO HA H 158 4.425 4.588 -0.163 1 1 351 . 3 1 1 A 73 73 PRO CA C 158 63.737 62.721 1.016 1 1 352 . 3 1 1 A 73 73 PRO CB C 158 32.071 31.992 0.079 1 1 355 . 3 1 1 A 74 74 ASN H H 159 8.562 8.291 0.271 1 1 356 . 3 1 1 A 74 74 ASN HA H 159 4.708 4.738 -0.030 1 1 361 . 3 1 1 A 74 74 ASN CA C 159 51.965 52.027 -0.062 1 1 362 . 3 1 1 A 74 74 ASN CB C 159 37.898 38.473 -0.575 1 1 363 . 3 1 1 A 74 74 ASN N N 159 116.213 117.238 -1.025 1 1 365 . 3 1 1 A 75 75 GLN H H 160 7.302 7.607 -0.305 1 1 366 . 3 1 1 A 75 75 GLN HA H 160 4.479 4.609 -0.130 1 1 371 . 3 1 1 A 75 75 GLN CA C 160 54.184 54.452 -0.268 1 1 372 . 3 1 1 A 75 75 GLN CB C 160 34.167 32.420 1.747 1 1 373 . 3 1 1 A 75 75 GLN N N 160 114.122 119.059 -4.937 1 1 375 . 3 1 1 A 76 76 VAL H H 161 8.635 8.387 0.248 1 1 376 . 3 1 1 A 76 76 VAL HA H 161 4.916 4.871 0.045 1 1 384 . 3 1 1 A 76 76 VAL CA C 161 58.557 59.870 -1.313 1 1 385 . 3 1 1 A 76 76 VAL CB C 161 33.635 34.446 -0.811 1 1 388 . 3 1 1 A 76 76 VAL N N 161 112.903 117.483 -4.580 1 1 389 . 3 1 1 A 77 77 TYR H H 162 8.554 9.000 -0.446 1 1 390 . 3 1 1 A 77 77 TYR HA H 162 5.440 5.252 0.188 1 1 397 . 3 1 1 A 77 77 TYR CA C 162 57.057 56.046 1.011 1 1 398 . 3 1 1 A 77 77 TYR CB C 162 42.147 43.374 -1.227 1 1 401 . 3 1 1 A 77 77 TYR N N 162 120.972 123.523 -2.551 1 1 402 . 3 1 1 A 78 78 TYR H H 163 8.686 9.043 -0.357 1 1 403 . 3 1 1 A 78 78 TYR HA H 163 4.797 5.580 -0.783 1 1 410 . 3 1 1 A 78 78 TYR CA C 163 55.484 55.497 -0.013 1 1 413 . 3 1 1 A 78 78 TYR N N 163 111.059 118.730 -7.671 1 1 429 . 3 1 1 A 86 86 ASN HA H 171 4.733 4.522 0.211 1 1 434 . 3 1 1 A 86 86 ASN CA C 171 52.388 55.454 -3.066 1 1 435 . 3 1 1 A 86 86 ASN CB C 171 39.935 37.601 2.334 1 1 437 . 3 1 1 A 87 87 GLN H H 172 8.740 8.865 -0.125 1 1 440 . 3 1 1 A 87 87 GLN CA C 172 59.906 59.425 0.481 1 1 441 . 3 1 1 A 87 87 GLN CB C 172 29.065 28.365 0.700 1 1 443 . 3 1 1 A 87 87 GLN N N 172 121.279 121.531 -0.252 1 1 445 . 3 1 1 A 88 88 ASN H H 173 8.427 8.232 0.195 1 1 446 . 3 1 1 A 88 88 ASN HA H 173 4.255 4.390 -0.135 1 1 451 . 3 1 1 A 88 88 ASN CA C 173 56.396 56.623 -0.227 1 1 452 . 3 1 1 A 88 88 ASN CB C 173 37.912 38.117 -0.205 1 1 453 . 3 1 1 A 88 88 ASN N N 173 116.210 118.278 -2.068 1 1 455 . 3 1 1 A 89 89 ASN H H 174 8.542 7.717 0.825 1 1 456 . 3 1 1 A 89 89 ASN HA H 174 4.509 4.673 -0.164 1 1 461 . 3 1 1 A 89 89 ASN CA C 174 56.013 56.068 -0.055 1 1 462 . 3 1 1 A 89 89 ASN CB C 174 38.359 38.278 0.081 1 1 463 . 3 1 1 A 89 89 ASN N N 174 118.573 118.231 0.342 1 1 465 . 3 1 1 A 90 90 PHE H H 175 8.113 8.003 0.110 1 1 466 . 3 1 1 A 90 90 PHE CA C 175 61.432 61.343 0.089 1 1 467 . 3 1 1 A 90 90 PHE N N 175 120.437 120.646 -0.209 1 1 468 . 3 1 1 A 91 91 VAL H H 176 9.215 8.238 0.977 1 1 469 . 3 1 1 A 91 91 VAL HA H 176 3.608 3.583 0.025 1 1 477 . 3 1 1 A 91 91 VAL CA C 176 67.888 66.180 1.708 1 1 478 . 3 1 1 A 91 91 VAL CB C 176 32.042 31.701 0.341 1 1 480 . 3 1 1 A 91 91 VAL N N 176 120.071 118.711 1.360 1 1 481 . 3 1 1 A 92 92 HIS H H 177 8.497 7.897 0.600 1 1 482 . 3 1 1 A 92 92 HIS HA H 177 4.353 4.246 0.107 1 1 485 . 3 1 1 A 92 92 HIS CA C 177 59.251 59.192 0.059 1 1 486 . 3 1 1 A 92 92 HIS CB C 177 28.104 29.873 -1.769 1 1 487 . 3 1 1 A 92 92 HIS N N 177 117.399 118.417 -1.018 1 1 488 . 3 1 1 A 93 93 ASN H H 178 7.860 8.478 -0.618 1 1 489 . 3 1 1 A 93 93 ASN HA H 178 4.521 4.377 0.144 1 1 494 . 3 1 1 A 93 93 ASN CA C 178 56.244 56.415 -0.171 1 1 495 . 3 1 1 A 93 93 ASN CB C 178 37.934 38.095 -0.161 1 1 496 . 3 1 1 A 93 93 ASN N N 178 116.474 117.302 -0.828 1 1 498 . 3 1 1 A 94 94 CYS H H 179 8.133 7.694 0.439 1 1 499 . 3 1 1 A 94 94 CYS CA C 179 58.595 62.336 -3.741 1 1 500 . 3 1 1 A 94 94 CYS CB C 179 40.911 27.414 13.497 1 1 501 . 3 1 1 A 94 94 CYS N N 179 120.418 119.248 1.170 1 1 502 . 3 1 1 A 95 95 VAL H H 180 9.280 7.661 1.619 1 1 503 . 3 1 1 A 95 95 VAL HA H 180 3.654 3.658 -0.004 1 1 511 . 3 1 1 A 95 95 VAL CA C 180 66.400 66.841 -0.441 1 1 512 . 3 1 1 A 95 95 VAL CB C 180 31.912 31.746 0.166 1 1 515 . 3 1 1 A 95 95 VAL N N 180 125.212 120.487 4.725 1 1 516 . 3 1 1 A 96 96 ASN H H 181 7.696 8.019 -0.323 1 1 517 . 3 1 1 A 96 96 ASN HA H 181 4.321 4.441 -0.120 1 1 522 . 3 1 1 A 96 96 ASN CA C 181 56.419 56.476 -0.057 1 1 523 . 3 1 1 A 96 96 ASN CB C 181 38.654 39.414 -0.760 1 1 524 . 3 1 1 A 96 96 ASN N N 181 115.816 118.584 -2.768 1 1 526 . 3 1 1 A 97 97 ILE H H 182 8.385 7.373 1.012 1 1 527 . 3 1 1 A 97 97 ILE HA H 182 3.726 3.647 0.079 1 1 537 . 3 1 1 A 97 97 ILE CA C 182 62.446 65.105 -2.659 1 1 538 . 3 1 1 A 97 97 ILE CB C 182 36.464 37.420 -0.956 1 1 542 . 3 1 1 A 97 97 ILE N N 182 118.191 120.255 -2.064 1 1 543 . 3 1 1 A 98 98 THR H H 183 8.157 7.435 0.722 1 1 544 . 3 1 1 A 98 98 THR HA H 183 4.078 4.000 0.078 1 1 549 . 3 1 1 A 98 98 THR CA C 183 68.807 66.806 2.001 1 1 550 . 3 1 1 A 98 98 THR CB C 183 68.239 68.498 -0.259 1 1 552 . 3 1 1 A 98 98 THR N N 183 117.797 117.418 0.379 1 1 553 . 3 1 1 A 99 99 ILE H H 184 8.528 7.741 0.787 1 1 554 . 3 1 1 A 99 99 ILE HA H 184 3.727 3.575 0.152 1 1 564 . 3 1 1 A 99 99 ILE CA C 184 65.621 65.475 0.146 1 1 565 . 3 1 1 A 99 99 ILE CB C 184 36.531 37.360 -0.829 1 1 569 . 3 1 1 A 99 99 ILE N N 184 120.576 121.483 -0.907 1 1 570 . 3 1 1 A 100 100 LYS H H 185 7.953 8.067 -0.114 1 1 571 . 3 1 1 A 100 100 LYS HA H 185 4.068 3.911 0.157 1 1 580 . 3 1 1 A 100 100 LYS CA C 185 59.636 59.802 -0.166 1 1 581 . 3 1 1 A 100 100 LYS CB C 185 31.989 32.439 -0.450 1 1 585 . 3 1 1 A 100 100 LYS N N 185 122.562 120.991 1.571 1 1 586 . 3 1 1 A 101 101 GLN H H 186 8.376 7.925 0.451 1 1 589 . 3 1 1 A 101 101 GLN CA C 186 57.741 58.763 -1.022 1 1 590 . 3 1 1 A 101 101 GLN N N 186 116.213 118.315 -2.102 1 1 592 . 3 1 1 A 102 102 HIS H H 187 8.199 7.856 0.343 1 1 593 . 3 1 1 A 102 102 HIS HA H 187 4.593 4.297 0.296 1 1 596 . 3 1 1 A 102 102 HIS CA C 187 59.062 59.239 -0.177 1 1 597 . 3 1 1 A 102 102 HIS CB C 187 30.384 29.726 0.658 1 1 598 . 3 1 1 A 102 102 HIS N N 187 118.199 120.880 -2.681 1 1 599 . 3 1 1 A 103 103 THR H H 188 8.245 8.296 -0.051 1 1 600 . 3 1 1 A 103 103 THR HA H 188 4.184 3.982 0.202 1 1 605 . 3 1 1 A 103 103 THR CA C 188 65.017 65.259 -0.242 1 1 606 . 3 1 1 A 103 103 THR CB C 188 69.167 68.875 0.292 1 1 608 . 3 1 1 A 103 103 THR N N 188 113.748 114.193 -0.445 1 1 609 . 3 1 1 A 104 104 VAL H H 189 8.013 8.138 -0.125 1 1 610 . 3 1 1 A 104 104 VAL HA H 189 4.004 3.557 0.447 1 1 618 . 3 1 1 A 104 104 VAL CA C 189 65.151 66.851 -1.700 1 1 619 . 3 1 1 A 104 104 VAL CB C 189 31.743 31.626 0.117 1 1 622 . 3 1 1 A 104 104 VAL N N 189 122.142 121.103 1.039 1 1 623 . 3 1 1 A 105 105 THR H H 190 8.092 8.080 0.012 1 1 624 . 3 1 1 A 105 105 THR HA H 190 4.250 3.977 0.273 1 1 629 . 3 1 1 A 105 105 THR CA C 190 64.314 65.670 -1.356 1 1 630 . 3 1 1 A 105 105 THR CB C 190 69.159 68.224 0.935 1 1 632 . 3 1 1 A 105 105 THR N N 190 115.022 115.132 -0.110 1 1 633 . 3 1 1 A 106 106 THR H H 191 8.017 7.908 0.109 1 1 634 . 3 1 1 A 106 106 THR HA H 191 4.214 4.095 0.119 1 1 639 . 3 1 1 A 106 106 THR CA C 191 63.874 65.833 -1.959 1 1 640 . 3 1 1 A 106 106 THR CB C 191 69.009 68.535 0.474 1 1 642 . 3 1 1 A 106 106 THR N N 191 114.622 116.578 -1.956 1 1 643 . 3 1 1 A 107 107 THR H H 192 8.194 8.137 0.057 1 1 644 . 3 1 1 A 107 107 THR CA C 192 64.201 65.961 -1.760 1 1 645 . 3 1 1 A 107 107 THR CB C 192 69.159 68.374 0.785 1 1 647 . 3 1 1 A 107 107 THR N N 192 116.611 117.467 -0.856 1 1 648 . 3 1 1 A 108 108 THR H H 193 7.932 8.173 -0.241 1 1 649 . 3 1 1 A 108 108 THR CA C 193 63.871 67.237 -3.366 1 1 650 . 3 1 1 A 108 108 THR CB C 193 69.002 68.372 0.630 1 1 652 . 3 1 1 A 108 108 THR N N 193 116.096 117.158 -1.062 1 1 653 . 3 1 1 A 109 109 LYS H H 194 7.821 7.721 0.100 1 1 654 . 3 1 1 A 109 109 LYS HA H 194 4.364 4.346 0.018 1 1 663 . 3 1 1 A 109 109 LYS CA C 194 56.285 55.935 0.350 1 1 664 . 3 1 1 A 109 109 LYS CB C 194 32.636 33.192 -0.556 1 1 668 . 3 1 1 A 109 109 LYS N N 194 120.975 117.488 3.487 1 1 669 . 3 1 1 A 110 110 GLY H H 195 8.109 7.951 0.158 1 1 670 . 3 1 1 A 110 110 GLY HA2 H 195 3.858 3.930 -0.072 1 1 671 . 3 1 1 A 110 110 GLY HA3 H 195 4.083 3.936 0.147 1 1 672 . 3 1 1 A 110 110 GLY CA C 195 45.511 46.524 -1.013 1 1 673 . 3 1 1 A 110 110 GLY N N 195 108.675 109.664 -0.989 1 1 674 . 3 1 1 A 111 111 GLU H H 196 7.706 7.495 0.211 1 1 675 . 3 1 1 A 111 111 GLU HA H 196 4.258 4.975 -0.717 1 1 680 . 3 1 1 A 111 111 GLU CA C 196 55.837 54.488 1.349 1 1 681 . 3 1 1 A 111 111 GLU CB C 196 30.673 33.638 -2.965 1 1 683 . 3 1 1 A 111 111 GLU N N 196 120.028 119.179 0.849 1 1 684 . 3 1 1 A 112 112 ASN H H 197 8.460 8.707 -0.247 1 1 685 . 3 1 1 A 112 112 ASN HA H 197 4.668 5.422 -0.754 1 1 690 . 3 1 1 A 112 112 ASN CA C 197 52.923 51.908 1.015 1 1 691 . 3 1 1 A 112 112 ASN CB C 197 40.491 41.356 -0.865 1 1 692 . 3 1 1 A 112 112 ASN N N 197 119.716 118.847 0.869 1 1 694 . 3 1 1 A 113 113 PHE H H 198 8.655 8.361 0.294 1 1 695 . 3 1 1 A 113 113 PHE HA H 198 5.262 5.766 -0.504 1 1 698 . 3 1 1 A 113 113 PHE CA C 198 56.640 55.350 1.290 1 1 699 . 3 1 1 A 113 113 PHE CB C 198 39.899 42.233 -2.334 1 1 700 . 3 1 1 A 113 113 PHE N N 198 122.046 117.317 4.729 1 1 701 . 3 1 1 A 114 114 THR H H 199 9.506 8.884 0.622 1 1 702 . 3 1 1 A 114 114 THR HA H 199 4.625 4.747 -0.122 1 1 707 . 3 1 1 A 114 114 THR CA C 199 60.305 60.152 0.153 1 1 708 . 3 1 1 A 114 114 THR CB C 199 72.033 71.579 0.454 1 1 710 . 3 1 1 A 114 114 THR N N 199 116.124 114.227 1.897 1 1 711 . 3 1 1 A 115 115 GLU H H 200 9.120 9.125 -0.005 1 1 712 . 3 1 1 A 115 115 GLU HA H 200 4.051 4.118 -0.067 1 1 717 . 3 1 1 A 115 115 GLU CA C 200 59.877 59.629 0.248 1 1 718 . 3 1 1 A 115 115 GLU CB C 200 28.787 29.201 -0.414 1 1 720 . 3 1 1 A 115 115 GLU N N 200 119.993 121.519 -1.526 1 1 721 . 3 1 1 A 116 116 THR H H 201 7.955 7.735 0.220 1 1 722 . 3 1 1 A 116 116 THR HA H 201 3.794 4.020 -0.226 1 1 727 . 3 1 1 A 116 116 THR CA C 201 66.734 66.739 -0.005 1 1 728 . 3 1 1 A 116 116 THR CB C 201 68.624 68.918 -0.294 1 1 730 . 3 1 1 A 116 116 THR N N 201 116.160 117.868 -1.708 1 1 731 . 3 1 1 A 117 117 ASP H H 202 7.505 7.853 -0.348 1 1 732 . 3 1 1 A 117 117 ASP HA H 202 4.577 4.470 0.107 1 1 735 . 3 1 1 A 117 117 ASP CA C 202 58.057 57.091 0.966 1 1 736 . 3 1 1 A 117 117 ASP CB C 202 41.747 41.207 0.540 1 1 737 . 3 1 1 A 117 117 ASP N N 202 120.175 121.877 -1.702 1 1 738 . 3 1 1 A 118 118 VAL H H 203 8.236 8.611 -0.375 1 1 739 . 3 1 1 A 118 118 VAL HA H 203 3.324 3.801 -0.477 1 1 747 . 3 1 1 A 118 118 VAL CA C 203 67.799 65.065 2.734 1 1 748 . 3 1 1 A 118 118 VAL CB C 203 31.269 30.972 0.297 1 1 751 . 3 1 1 A 118 118 VAL N N 203 119.654 119.138 0.516 1 1 752 . 3 1 1 A 119 119 LYS H H 204 7.740 7.883 -0.143 1 1 753 . 3 1 1 A 119 119 LYS HA H 204 4.090 4.015 0.075 1 1 762 . 3 1 1 A 119 119 LYS CA C 204 59.368 59.641 -0.273 1 1 763 . 3 1 1 A 119 119 LYS CB C 204 32.165 32.266 -0.101 1 1 767 . 3 1 1 A 119 119 LYS N N 204 119.288 121.149 -1.861 1 1 768 . 3 1 1 A 120 120 MET H H 205 8.235 7.926 0.309 1 1 769 . 3 1 1 A 120 120 MET HA H 205 4.158 4.167 -0.009 1 1 777 . 3 1 1 A 120 120 MET CA C 205 59.819 58.550 1.269 1 1 778 . 3 1 1 A 120 120 MET CB C 205 33.078 32.669 0.409 1 1 781 . 3 1 1 A 120 120 MET N N 205 118.767 119.114 -0.347 1 1 782 . 3 1 1 A 121 121 MET H H 206 8.755 7.989 0.766 1 1 783 . 3 1 1 A 121 121 MET HA H 206 3.580 4.284 -0.704 1 1 791 . 3 1 1 A 121 121 MET CA C 206 59.639 58.334 1.305 1 1 792 . 3 1 1 A 121 121 MET CB C 206 32.777 32.869 -0.092 1 1 795 . 3 1 1 A 121 121 MET N N 206 118.428 118.762 -0.334 1 1 796 . 3 1 1 A 122 122 GLU H H 207 8.419 8.268 0.151 1 1 797 . 3 1 1 A 122 122 GLU HA H 207 3.688 3.924 -0.236 1 1 802 . 3 1 1 A 122 122 GLU CA C 207 60.390 59.432 0.958 1 1 803 . 3 1 1 A 122 122 GLU CB C 207 28.448 29.504 -1.056 1 1 805 . 3 1 1 A 122 122 GLU N N 207 118.469 118.268 0.201 1 1 806 . 3 1 1 A 123 123 ARG H H 208 7.344 7.718 -0.374 1 1 807 . 3 1 1 A 123 123 ARG HA H 208 4.163 4.178 -0.015 1 1 815 . 3 1 1 A 123 123 ARG CA C 208 58.537 58.552 -0.015 1 1 816 . 3 1 1 A 123 123 ARG CB C 208 29.925 29.954 -0.029 1 1 819 . 3 1 1 A 123 123 ARG N N 208 116.990 120.767 -3.777 1 1 821 . 3 1 1 A 124 124 VAL H H 209 8.299 7.657 0.642 1 1 822 . 3 1 1 A 124 124 VAL HA H 209 3.798 3.696 0.102 1 1 830 . 3 1 1 A 124 124 VAL CA C 209 65.995 66.076 -0.081 1 1 831 . 3 1 1 A 124 124 VAL CB C 209 32.075 31.552 0.523 1 1 834 . 3 1 1 A 124 124 VAL N N 209 119.301 120.351 -1.050 1 1 835 . 3 1 1 A 125 125 VAL H H 210 9.016 8.389 0.627 1 1 836 . 3 1 1 A 125 125 VAL HA H 210 3.643 3.616 0.027 1 1 844 . 3 1 1 A 125 125 VAL CA C 210 66.591 66.543 0.048 1 1 845 . 3 1 1 A 125 125 VAL CB C 210 31.836 31.569 0.267 1 1 848 . 3 1 1 A 125 125 VAL N N 210 121.312 121.130 0.182 1 1 849 . 3 1 1 A 126 126 GLU H H 211 8.153 7.864 0.289 1 1 850 . 3 1 1 A 126 126 GLU HA H 211 3.622 4.010 -0.388 1 1 855 . 3 1 1 A 126 126 GLU CA C 211 60.997 59.564 1.433 1 1 856 . 3 1 1 A 126 126 GLU CB C 211 28.921 29.038 -0.117 1 1 858 . 3 1 1 A 126 126 GLU N N 211 120.456 119.765 0.691 1 1 859 . 3 1 1 A 127 127 GLN H H 212 7.274 7.741 -0.467 1 1 862 . 3 1 1 A 127 127 GLN CA C 212 58.803 58.649 0.154 1 1 863 . 3 1 1 A 127 127 GLN N N 212 115.025 118.886 -3.861 1 1 865 . 3 1 1 A 128 128 MET H H 213 8.324 7.879 0.445 1 1 866 . 3 1 1 A 128 128 MET HA H 213 4.146 4.184 -0.038 1 1 872 . 3 1 1 A 128 128 MET CA C 213 59.976 58.452 1.524 1 1 873 . 3 1 1 A 128 128 MET CB C 213 31.911 32.090 -0.179 1 1 875 . 3 1 1 A 128 128 MET N N 213 119.344 118.190 1.154 1 1 876 . 3 1 1 A 129 129 CYS H H 214 9.219 8.070 1.149 1 1 877 . 3 1 1 A 129 129 CYS CA C 214 59.821 62.589 -2.768 1 1 878 . 3 1 1 A 129 129 CYS N N 214 118.992 119.169 -0.177 1 1 879 . 3 1 1 A 130 130 ILE H H 215 8.340 7.731 0.609 1 1 880 . 3 1 1 A 130 130 ILE HA H 215 3.563 3.767 -0.204 1 1 890 . 3 1 1 A 130 130 ILE CA C 215 66.751 64.359 2.392 1 1 891 . 3 1 1 A 130 130 ILE CB C 215 37.814 36.742 1.072 1 1 895 . 3 1 1 A 130 130 ILE N N 215 123.750 121.515 2.235 1 1 896 . 3 1 1 A 131 131 THR H H 216 8.142 7.788 0.354 1 1 897 . 3 1 1 A 131 131 THR HA H 216 3.940 3.898 0.042 1 1 902 . 3 1 1 A 131 131 THR CA C 216 66.898 67.148 -0.250 1 1 903 . 3 1 1 A 131 131 THR CB C 216 69.608 68.130 1.478 1 1 905 . 3 1 1 A 131 131 THR N N 216 118.528 118.216 0.312 1 1 906 . 3 1 1 A 132 132 GLN H H 217 8.687 7.899 0.788 1 1 907 . 3 1 1 A 132 132 GLN HA H 217 3.688 3.834 -0.146 1 1 914 . 3 1 1 A 132 132 GLN CA C 217 58.527 58.162 0.365 1 1 915 . 3 1 1 A 132 132 GLN CB C 217 28.353 28.583 -0.230 1 1 917 . 3 1 1 A 132 132 GLN N N 217 121.765 119.474 2.291 1 1 919 . 3 1 1 A 133 133 TYR HA H 218 4.532 5.083 -0.551 1 1 926 . 3 1 1 A 133 133 TYR CA C 218 55.867 56.474 -0.607 1 1 927 . 3 1 1 A 133 133 TYR CB C 218 37.912 39.941 -2.029 1 1 930 . 3 1 1 A 134 134 GLU H H 219 8.293 9.189 -0.896 1 1 931 . 3 1 1 A 134 134 GLU HA H 219 3.689 4.067 -0.378 1 1 936 . 3 1 1 A 134 134 GLU CA C 219 59.268 60.187 -0.919 1 1 937 . 3 1 1 A 134 134 GLU CB C 219 28.324 29.800 -1.476 1 1 939 . 3 1 1 A 134 134 GLU N N 219 120.400 125.621 -5.221 1 1 940 . 3 1 1 A 135 135 ARG H H 220 7.887 7.958 -0.071 1 1 941 . 3 1 1 A 135 135 ARG HA H 220 3.981 4.051 -0.070 1 1 949 . 3 1 1 A 135 135 ARG CA C 220 59.266 59.785 -0.519 1 1 950 . 3 1 1 A 135 135 ARG CB C 220 30.337 30.144 0.193 1 1 953 . 3 1 1 A 135 135 ARG N N 220 118.589 120.078 -1.489 1 1 955 . 3 1 1 A 137 137 SER HA H 222 3.954 4.380 -0.426 1 1 958 . 3 1 1 A 137 137 SER CA C 222 60.572 61.371 -0.799 1 1 959 . 3 1 1 A 137 137 SER CB C 222 62.761 62.555 0.206 1 1 960 . 3 1 1 A 138 138 GLN H H 223 7.624 8.307 -0.683 1 1 961 . 3 1 1 A 138 138 GLN HA H 223 4.153 4.032 0.121 1 1 968 . 3 1 1 A 138 138 GLN CA C 223 57.658 58.461 -0.803 1 1 969 . 3 1 1 A 138 138 GLN CB C 223 28.370 28.476 -0.106 1 1 971 . 3 1 1 A 138 138 GLN N N 223 120.575 121.823 -1.248 1 1 973 . 3 1 1 A 139 139 ALA H H 224 7.627 7.594 0.033 1 1 974 . 3 1 1 A 139 139 ALA HA H 224 4.156 4.172 -0.016 1 1 978 . 3 1 1 A 139 139 ALA CA C 224 54.017 54.944 -0.927 1 1 979 . 3 1 1 A 139 139 ALA CB C 224 18.645 18.145 0.500 1 1 980 . 3 1 1 A 139 139 ALA N N 224 121.263 121.510 -0.247 1 1 981 . 3 1 1 A 140 140 TYR H H 225 8.048 7.960 0.088 1 1 982 . 3 1 1 A 140 140 TYR HA H 225 4.204 4.275 -0.071 1 1 989 . 3 1 1 A 140 140 TYR CA C 225 59.890 61.159 -1.269 1 1 990 . 3 1 1 A 140 140 TYR CB C 225 38.994 38.673 0.321 1 1 993 . 3 1 1 A 140 140 TYR N N 225 118.980 120.094 -1.114 1 1 994 . 3 1 1 A 141 141 TYR H H 226 7.948 7.882 0.066 1 1 995 . 3 1 1 A 141 141 TYR HA H 226 4.375 4.156 0.219 1 1 1002 . 3 1 1 A 141 141 TYR CA C 226 59.036 60.593 -1.557 1 1 1003 . 3 1 1 A 141 141 TYR CB C 226 38.060 39.380 -1.320 1 1 1006 . 3 1 1 A 141 141 TYR N N 226 118.596 117.049 1.547 1 1 1007 . 3 1 1 A 142 142 GLN H H 227 7.941 7.956 -0.015 1 1 1008 . 3 1 1 A 142 142 GLN HA H 227 4.240 4.329 -0.089 1 1 1015 . 3 1 1 A 142 142 GLN CA C 227 56.346 55.953 0.393 1 1 1016 . 3 1 1 A 142 142 GLN CB C 227 28.912 29.532 -0.620 1 1 1018 . 3 1 1 A 142 142 GLN N N 227 119.883 118.184 1.699 1 1 1020 . 3 1 1 A 143 143 ARG H H 228 7.966 8.932 -0.966 1 1 1021 . 3 1 1 A 143 143 ARG HA H 228 4.244 4.948 -0.704 1 1 1029 . 3 1 1 A 143 143 ARG CA C 228 56.719 53.971 2.748 1 1 1030 . 3 1 1 A 143 143 ARG CB C 228 30.731 33.279 -2.548 1 1 1033 . 3 1 1 A 143 143 ARG N N 228 120.871 121.929 -1.058 1 1 1035 . 3 1 1 A 144 144 GLY H H 229 8.247 8.529 -0.282 1 1 1036 . 3 1 1 A 144 144 GLY HA2 H 229 3.992 3.955 0.037 1 1 1037 . 3 1 1 A 144 144 GLY HA3 H 229 3.992 3.957 0.035 1 1 1038 . 3 1 1 A 144 144 GLY CA C 229 45.359 45.864 -0.505 1 1 1039 . 3 1 1 A 144 144 GLY N N 229 109.072 107.402 1.670 1 1 1040 . 3 1 1 A 145 145 SER H H 230 8.139 9.046 -0.907 1 1 1041 . 3 1 1 A 145 145 SER HA H 230 4.506 5.069 -0.563 1 1 1044 . 3 1 1 A 145 145 SER CA C 230 58.123 57.355 0.768 1 1 1045 . 3 1 1 A 145 145 SER CB C 230 63.878 66.057 -2.179 1 1 1046 . 3 1 1 A 145 145 SER N N 230 115.684 121.807 -6.123 1 1 16 . 4 1 1 A 41 41 GLY H H 126 8.484 7.953 0.531 1 1 17 . 4 1 1 A 41 41 GLY HA2 H 126 3.861 4.162 -0.301 1 1 18 . 4 1 1 A 41 41 GLY HA3 H 126 3.920 4.194 -0.274 1 1 19 . 4 1 1 A 41 41 GLY CA C 126 46.260 45.673 0.587 1 1 20 . 4 1 1 A 41 41 GLY N N 126 109.470 105.755 3.715 1 1 21 . 4 1 1 A 42 42 GLY H H 127 8.326 8.177 0.149 1 1 22 . 4 1 1 A 42 42 GLY HA2 H 127 3.749 3.831 -0.082 1 1 23 . 4 1 1 A 42 42 GLY HA3 H 127 3.900 3.843 0.057 1 1 24 . 4 1 1 A 42 42 GLY CA C 127 45.226 47.400 -2.174 1 1 25 . 4 1 1 A 42 42 GLY N N 127 109.020 108.362 0.658 1 1 26 . 4 1 1 A 43 43 TYR H H 128 7.692 8.082 -0.390 1 1 27 . 4 1 1 A 43 43 TYR HA H 128 4.675 4.629 0.046 1 1 34 . 4 1 1 A 43 43 TYR CA C 128 57.271 59.840 -2.569 1 1 35 . 4 1 1 A 43 43 TYR CB C 128 40.257 37.386 2.871 1 1 38 . 4 1 1 A 43 43 TYR N N 128 117.301 115.969 1.332 1 1 39 . 4 1 1 A 44 44 VAL H H 129 8.974 8.515 0.459 1 1 40 . 4 1 1 A 44 44 VAL HA H 129 4.344 5.050 -0.706 1 1 48 . 4 1 1 A 44 44 VAL CA C 129 59.555 59.527 0.028 1 1 49 . 4 1 1 A 44 44 VAL CB C 129 34.728 34.614 0.114 1 1 52 . 4 1 1 A 44 44 VAL N N 129 118.589 120.694 -2.105 1 1 53 . 4 1 1 A 45 45 LEU H H 130 8.029 8.515 -0.486 1 1 62 . 4 1 1 A 45 45 LEU N N 130 123.350 124.564 -1.214 1 1 63 . 4 1 1 A 46 46 GLY H H 131 9.278 8.390 0.888 1 1 64 . 4 1 1 A 46 46 GLY CA C 131 44.842 46.193 -1.351 1 1 65 . 4 1 1 A 46 46 GLY N N 131 114.623 107.744 6.879 1 1 66 . 4 1 1 A 47 47 SER H H 132 8.315 8.472 -0.157 1 1 67 . 4 1 1 A 47 47 SER HA H 132 4.438 4.711 -0.273 1 1 70 . 4 1 1 A 47 47 SER CA C 132 58.520 56.595 1.925 1 1 71 . 4 1 1 A 47 47 SER CB C 132 64.166 64.766 -0.600 1 1 72 . 4 1 1 A 47 47 SER N N 132 113.038 116.495 -3.457 1 1 73 . 4 1 1 A 48 48 ALA H H 133 8.736 8.348 0.388 1 1 74 . 4 1 1 A 48 48 ALA HA H 133 4.425 4.531 -0.106 1 1 78 . 4 1 1 A 48 48 ALA CA C 133 53.090 51.191 1.899 1 1 79 . 4 1 1 A 48 48 ALA CB C 133 18.465 20.512 -2.047 1 1 80 . 4 1 1 A 48 48 ALA N N 133 125.270 123.794 1.476 1 1 81 . 4 1 1 A 49 49 MET H H 134 8.758 9.120 -0.362 1 1 82 . 4 1 1 A 49 49 MET HA H 134 4.754 5.184 -0.430 1 1 90 . 4 1 1 A 49 49 MET CA C 134 53.972 54.032 -0.060 1 1 91 . 4 1 1 A 49 49 MET CB C 134 37.222 35.460 1.762 1 1 94 . 4 1 1 A 49 49 MET N N 134 120.911 117.540 3.371 1 1 95 . 4 1 1 A 50 50 SER H H 135 8.430 8.854 -0.424 1 1 96 . 4 1 1 A 50 50 SER HA H 135 4.356 4.631 -0.275 1 1 99 . 4 1 1 A 50 50 SER CA C 135 58.630 57.825 0.805 1 1 100 . 4 1 1 A 50 50 SER CB C 135 63.575 63.993 -0.418 1 1 101 . 4 1 1 A 50 50 SER N N 135 116.162 119.140 -2.978 1 1 102 . 4 1 1 A 51 51 ARG H H 136 8.646 8.840 -0.194 1 1 103 . 4 1 1 A 51 51 ARG HA H 136 4.434 3.792 0.642 1 1 111 . 4 1 1 A 51 51 ARG CA C 136 54.863 56.451 -1.588 1 1 112 . 4 1 1 A 51 51 ARG CB C 136 30.519 28.613 1.906 1 1 115 . 4 1 1 A 51 51 ARG N N 136 126.460 123.392 3.068 1 1 117 . 4 1 1 A 52 52 PRO HA H 137 4.413 4.715 -0.302 1 1 124 . 4 1 1 A 52 52 PRO CA C 137 62.198 62.475 -0.277 1 1 125 . 4 1 1 A 52 52 PRO CB C 137 32.165 29.356 2.809 1 1 128 . 4 1 1 A 53 53 ILE H H 138 8.647 8.438 0.209 1 1 129 . 4 1 1 A 53 53 ILE HA H 138 4.160 4.899 -0.739 1 1 139 . 4 1 1 A 53 53 ILE CA C 138 60.851 59.734 1.117 1 1 140 . 4 1 1 A 53 53 ILE CB C 138 36.101 40.526 -4.425 1 1 144 . 4 1 1 A 53 53 ILE N N 138 122.534 123.710 -1.176 1 1 145 . 4 1 1 A 54 54 ILE H H 139 6.485 9.320 -2.835 1 1 146 . 4 1 1 A 54 54 ILE HA H 139 3.926 4.762 -0.836 1 1 156 . 4 1 1 A 54 54 ILE CA C 139 58.665 58.649 0.016 1 1 157 . 4 1 1 A 54 54 ILE CB C 139 39.251 40.857 -1.606 1 1 161 . 4 1 1 A 54 54 ILE N N 139 126.733 129.202 -2.469 1 1 162 . 4 1 1 A 55 55 HIS H H 140 8.249 8.161 0.088 1 1 163 . 4 1 1 A 55 55 HIS HA H 140 4.935 4.033 0.902 1 1 167 . 4 1 1 A 55 55 HIS CA C 140 54.209 57.365 -3.156 1 1 168 . 4 1 1 A 55 55 HIS CB C 140 29.326 30.246 -0.920 1 1 170 . 4 1 1 A 55 55 HIS N N 140 122.048 124.839 -2.791 1 1 171 . 4 1 1 A 56 56 PHE H H 141 10.205 8.221 1.984 1 1 172 . 4 1 1 A 56 56 PHE HA H 141 4.360 3.793 0.567 1 1 175 . 4 1 1 A 56 56 PHE CA C 141 59.367 60.982 -1.615 1 1 176 . 4 1 1 A 56 56 PHE CB C 141 41.594 39.294 2.300 1 1 177 . 4 1 1 A 56 56 PHE N N 141 124.145 124.414 -0.269 1 1 178 . 4 1 1 A 57 57 GLY H H 142 9.008 8.629 0.379 1 1 179 . 4 1 1 A 57 57 GLY HA2 H 142 3.835 4.006 -0.171 1 1 180 . 4 1 1 A 57 57 GLY HA3 H 142 4.168 4.022 0.146 1 1 181 . 4 1 1 A 57 57 GLY CA C 142 45.777 45.520 0.257 1 1 182 . 4 1 1 A 57 57 GLY N N 142 108.268 108.119 0.149 1 1 183 . 4 1 1 A 58 58 SER H H 143 7.327 7.848 -0.521 1 1 184 . 4 1 1 A 58 58 SER HA H 143 4.820 4.827 -0.007 1 1 187 . 4 1 1 A 58 58 SER CA C 143 56.405 57.096 -0.691 1 1 188 . 4 1 1 A 58 58 SER CB C 143 66.034 65.638 0.396 1 1 189 . 4 1 1 A 58 58 SER N N 143 111.827 115.338 -3.511 1 1 190 . 4 1 1 A 59 59 ASP H H 144 9.051 9.095 -0.044 1 1 191 . 4 1 1 A 59 59 ASP HA H 144 4.502 4.160 0.342 1 1 194 . 4 1 1 A 59 59 ASP CA C 144 57.676 56.841 0.835 1 1 195 . 4 1 1 A 59 59 ASP CB C 144 40.505 40.125 0.380 1 1 196 . 4 1 1 A 59 59 ASP N N 144 124.541 127.881 -3.340 1 1 197 . 4 1 1 A 60 60 TYR H H 145 8.571 7.144 1.427 1 1 198 . 4 1 1 A 60 60 TYR HA H 145 4.197 4.240 -0.043 1 1 205 . 4 1 1 A 60 60 TYR CA C 145 61.232 61.322 -0.090 1 1 206 . 4 1 1 A 60 60 TYR CB C 145 37.912 37.733 0.179 1 1 209 . 4 1 1 A 60 60 TYR N N 145 118.914 119.017 -0.103 1 1 210 . 4 1 1 A 61 61 GLU H H 146 7.737 8.121 -0.384 1 1 211 . 4 1 1 A 61 61 GLU HA H 146 3.590 4.186 -0.596 1 1 216 . 4 1 1 A 61 61 GLU CA C 146 59.607 59.657 -0.050 1 1 217 . 4 1 1 A 61 61 GLU CB C 146 30.059 29.156 0.903 1 1 219 . 4 1 1 A 61 61 GLU N N 146 118.985 119.359 -0.374 1 1 220 . 4 1 1 A 62 62 ASP H H 147 8.213 8.421 -0.208 1 1 221 . 4 1 1 A 62 62 ASP HA H 147 4.666 4.162 0.504 1 1 224 . 4 1 1 A 62 62 ASP CA C 147 58.292 57.245 1.047 1 1 225 . 4 1 1 A 62 62 ASP CB C 147 40.171 41.522 -1.351 1 1 226 . 4 1 1 A 62 62 ASP N N 147 119.785 119.883 -0.098 1 1 227 . 4 1 1 A 63 63 ARG H H 148 8.229 7.919 0.310 1 1 228 . 4 1 1 A 63 63 ARG HA H 148 4.016 3.978 0.038 1 1 236 . 4 1 1 A 63 63 ARG CA C 148 59.611 59.671 -0.060 1 1 237 . 4 1 1 A 63 63 ARG CB C 148 30.059 29.958 0.101 1 1 240 . 4 1 1 A 63 63 ARG N N 148 120.339 119.248 1.091 1 1 242 . 4 1 1 A 64 64 TYR H H 149 8.340 8.452 -0.112 1 1 243 . 4 1 1 A 64 64 TYR HA H 149 3.829 4.356 -0.527 1 1 250 . 4 1 1 A 64 64 TYR CA C 149 61.991 61.065 0.926 1 1 251 . 4 1 1 A 64 64 TYR CB C 149 38.417 38.081 0.336 1 1 254 . 4 1 1 A 64 64 TYR N N 149 121.093 121.025 0.068 1 1 255 . 4 1 1 A 65 65 TYR H H 150 8.979 8.586 0.393 1 1 256 . 4 1 1 A 65 65 TYR HA H 150 4.132 4.045 0.087 1 1 263 . 4 1 1 A 65 65 TYR CA C 150 62.691 61.112 1.579 1 1 264 . 4 1 1 A 65 65 TYR CB C 150 38.025 38.653 -0.628 1 1 267 . 4 1 1 A 65 65 TYR N N 150 120.575 121.229 -0.654 1 1 268 . 4 1 1 A 66 66 ARG H H 151 7.997 8.139 -0.142 1 1 269 . 4 1 1 A 66 66 ARG HA H 151 3.925 3.993 -0.068 1 1 277 . 4 1 1 A 66 66 ARG CA C 151 60.050 59.378 0.672 1 1 278 . 4 1 1 A 66 66 ARG CB C 151 29.901 29.697 0.204 1 1 281 . 4 1 1 A 66 66 ARG N N 151 117.799 119.040 -1.241 1 1 283 . 4 1 1 A 67 67 GLU H H 152 8.076 7.981 0.095 1 1 284 . 4 1 1 A 67 67 GLU HA H 152 4.082 4.036 0.046 1 1 289 . 4 1 1 A 67 67 GLU CA C 152 58.125 58.226 -0.101 1 1 290 . 4 1 1 A 67 67 GLU CB C 152 29.743 29.500 0.243 1 1 292 . 4 1 1 A 67 67 GLU N N 152 116.601 117.474 -0.873 1 1 293 . 4 1 1 A 68 68 ASN H H 153 7.621 7.799 -0.178 1 1 294 . 4 1 1 A 68 68 ASN HA H 153 4.321 4.483 -0.162 1 1 299 . 4 1 1 A 68 68 ASN CA C 153 54.958 56.169 -1.211 1 1 300 . 4 1 1 A 68 68 ASN CB C 153 41.041 38.078 2.963 1 1 301 . 4 1 1 A 68 68 ASN N N 153 114.623 118.756 -4.133 1 1 303 . 4 1 1 A 69 69 MET H H 154 8.105 8.308 -0.203 1 1 304 . 4 1 1 A 69 69 MET HA H 154 3.458 3.483 -0.025 1 1 312 . 4 1 1 A 69 69 MET CA C 154 59.104 57.822 1.282 1 1 313 . 4 1 1 A 69 69 MET CB C 154 30.533 31.863 -1.330 1 1 316 . 4 1 1 A 69 69 MET N N 154 119.633 117.538 2.095 1 1 317 . 4 1 1 A 70 70 HIS H H 155 8.070 7.703 0.367 1 1 319 . 4 1 1 A 70 70 HIS CA C 155 57.650 58.953 -1.303 1 1 320 . 4 1 1 A 70 70 HIS CB C 155 27.591 29.981 -2.390 1 1 322 . 4 1 1 A 70 70 HIS N N 155 115.018 118.744 -3.726 1 1 323 . 4 1 1 A 71 71 ARG H H 156 7.618 8.435 -0.817 1 1 325 . 4 1 1 A 71 71 ARG CA C 156 56.278 55.926 0.352 1 1 326 . 4 1 1 A 71 71 ARG CB C 156 30.770 30.457 0.313 1 1 329 . 4 1 1 A 71 71 ARG N N 156 118.197 113.757 4.440 1 1 331 . 4 1 1 A 72 72 TYR H H 157 7.473 7.840 -0.367 1 1 332 . 4 1 1 A 72 72 TYR HA H 157 5.034 4.713 0.321 1 1 339 . 4 1 1 A 72 72 TYR CA C 157 52.768 56.298 -3.530 1 1 340 . 4 1 1 A 72 72 TYR CB C 157 35.150 38.025 -2.875 1 1 343 . 4 1 1 A 72 72 TYR N N 157 120.873 121.170 -0.297 1 1 344 . 4 1 1 A 73 73 PRO HA H 158 4.425 4.659 -0.234 1 1 351 . 4 1 1 A 73 73 PRO CA C 158 63.737 62.833 0.904 1 1 352 . 4 1 1 A 73 73 PRO CB C 158 32.071 33.155 -1.084 1 1 355 . 4 1 1 A 74 74 ASN H H 159 8.562 8.443 0.119 1 1 356 . 4 1 1 A 74 74 ASN HA H 159 4.708 4.973 -0.265 1 1 361 . 4 1 1 A 74 74 ASN CA C 159 51.965 52.386 -0.421 1 1 362 . 4 1 1 A 74 74 ASN CB C 159 37.898 39.258 -1.360 1 1 363 . 4 1 1 A 74 74 ASN N N 159 116.213 115.635 0.578 1 1 365 . 4 1 1 A 75 75 GLN H H 160 7.302 7.485 -0.183 1 1 366 . 4 1 1 A 75 75 GLN HA H 160 4.479 4.473 0.006 1 1 371 . 4 1 1 A 75 75 GLN CA C 160 54.184 54.674 -0.490 1 1 372 . 4 1 1 A 75 75 GLN CB C 160 34.167 31.526 2.641 1 1 373 . 4 1 1 A 75 75 GLN N N 160 114.122 116.137 -2.015 1 1 375 . 4 1 1 A 76 76 VAL H H 161 8.635 8.678 -0.043 1 1 376 . 4 1 1 A 76 76 VAL HA H 161 4.916 4.665 0.251 1 1 384 . 4 1 1 A 76 76 VAL CA C 161 58.557 59.893 -1.336 1 1 385 . 4 1 1 A 76 76 VAL CB C 161 33.635 34.088 -0.453 1 1 388 . 4 1 1 A 76 76 VAL N N 161 112.903 117.717 -4.814 1 1 389 . 4 1 1 A 77 77 TYR H H 162 8.554 8.695 -0.141 1 1 390 . 4 1 1 A 77 77 TYR HA H 162 5.440 4.980 0.460 1 1 397 . 4 1 1 A 77 77 TYR CA C 162 57.057 57.206 -0.149 1 1 398 . 4 1 1 A 77 77 TYR CB C 162 42.147 40.950 1.197 1 1 401 . 4 1 1 A 77 77 TYR N N 162 120.972 123.707 -2.735 1 1 402 . 4 1 1 A 78 78 TYR H H 163 8.686 8.821 -0.135 1 1 403 . 4 1 1 A 78 78 TYR HA H 163 4.797 5.317 -0.520 1 1 410 . 4 1 1 A 78 78 TYR CA C 163 55.484 56.347 -0.863 1 1 413 . 4 1 1 A 78 78 TYR N N 163 111.059 121.937 -10.878 1 1 429 . 4 1 1 A 86 86 ASN HA H 171 4.733 5.132 -0.399 1 1 434 . 4 1 1 A 86 86 ASN CA C 171 52.388 52.159 0.229 1 1 435 . 4 1 1 A 86 86 ASN CB C 171 39.935 41.941 -2.006 1 1 437 . 4 1 1 A 87 87 GLN H H 172 8.740 8.761 -0.021 1 1 440 . 4 1 1 A 87 87 GLN CA C 172 59.906 58.641 1.265 1 1 441 . 4 1 1 A 87 87 GLN CB C 172 29.065 28.293 0.772 1 1 443 . 4 1 1 A 87 87 GLN N N 172 121.279 122.663 -1.384 1 1 445 . 4 1 1 A 88 88 ASN H H 173 8.427 8.160 0.267 1 1 446 . 4 1 1 A 88 88 ASN HA H 173 4.255 4.355 -0.100 1 1 451 . 4 1 1 A 88 88 ASN CA C 173 56.396 56.165 0.231 1 1 452 . 4 1 1 A 88 88 ASN CB C 173 37.912 37.826 0.086 1 1 453 . 4 1 1 A 88 88 ASN N N 173 116.210 117.952 -1.742 1 1 455 . 4 1 1 A 89 89 ASN H H 174 8.542 8.285 0.257 1 1 456 . 4 1 1 A 89 89 ASN HA H 174 4.509 4.534 -0.025 1 1 461 . 4 1 1 A 89 89 ASN CA C 174 56.013 56.565 -0.552 1 1 462 . 4 1 1 A 89 89 ASN CB C 174 38.359 37.785 0.574 1 1 463 . 4 1 1 A 89 89 ASN N N 174 118.573 118.084 0.489 1 1 465 . 4 1 1 A 90 90 PHE H H 175 8.113 8.402 -0.289 1 1 466 . 4 1 1 A 90 90 PHE CA C 175 61.432 61.173 0.259 1 1 467 . 4 1 1 A 90 90 PHE N N 175 120.437 121.791 -1.354 1 1 468 . 4 1 1 A 91 91 VAL H H 176 9.215 7.565 1.650 1 1 469 . 4 1 1 A 91 91 VAL HA H 176 3.608 3.520 0.088 1 1 477 . 4 1 1 A 91 91 VAL CA C 176 67.888 66.125 1.763 1 1 478 . 4 1 1 A 91 91 VAL CB C 176 32.042 31.698 0.344 1 1 480 . 4 1 1 A 91 91 VAL N N 176 120.071 119.020 1.051 1 1 481 . 4 1 1 A 92 92 HIS H H 177 8.497 8.333 0.164 1 1 482 . 4 1 1 A 92 92 HIS HA H 177 4.353 4.270 0.083 1 1 485 . 4 1 1 A 92 92 HIS CA C 177 59.251 59.180 0.071 1 1 486 . 4 1 1 A 92 92 HIS CB C 177 28.104 29.921 -1.817 1 1 487 . 4 1 1 A 92 92 HIS N N 177 117.399 118.341 -0.942 1 1 488 . 4 1 1 A 93 93 ASN H H 178 7.860 8.406 -0.546 1 1 489 . 4 1 1 A 93 93 ASN HA H 178 4.521 4.406 0.115 1 1 494 . 4 1 1 A 93 93 ASN CA C 178 56.244 56.189 0.055 1 1 495 . 4 1 1 A 93 93 ASN CB C 178 37.934 37.352 0.582 1 1 496 . 4 1 1 A 93 93 ASN N N 178 116.474 116.629 -0.155 1 1 498 . 4 1 1 A 94 94 CYS H H 179 8.133 7.693 0.440 1 1 499 . 4 1 1 A 94 94 CYS CA C 179 58.595 62.354 -3.759 1 1 500 . 4 1 1 A 94 94 CYS CB C 179 40.911 27.164 13.747 1 1 501 . 4 1 1 A 94 94 CYS N N 179 120.418 119.067 1.351 1 1 502 . 4 1 1 A 95 95 VAL H H 180 9.280 7.446 1.834 1 1 503 . 4 1 1 A 95 95 VAL HA H 180 3.654 3.416 0.238 1 1 511 . 4 1 1 A 95 95 VAL CA C 180 66.400 66.915 -0.515 1 1 512 . 4 1 1 A 95 95 VAL CB C 180 31.912 31.527 0.385 1 1 515 . 4 1 1 A 95 95 VAL N N 180 125.212 120.239 4.973 1 1 516 . 4 1 1 A 96 96 ASN H H 181 7.696 7.995 -0.299 1 1 517 . 4 1 1 A 96 96 ASN HA H 181 4.321 4.399 -0.078 1 1 522 . 4 1 1 A 96 96 ASN CA C 181 56.419 56.529 -0.110 1 1 523 . 4 1 1 A 96 96 ASN CB C 181 38.654 39.599 -0.945 1 1 524 . 4 1 1 A 96 96 ASN N N 181 115.816 118.249 -2.433 1 1 526 . 4 1 1 A 97 97 ILE H H 182 8.385 7.277 1.108 1 1 527 . 4 1 1 A 97 97 ILE HA H 182 3.726 3.557 0.169 1 1 537 . 4 1 1 A 97 97 ILE CA C 182 62.446 65.235 -2.789 1 1 538 . 4 1 1 A 97 97 ILE CB C 182 36.464 37.441 -0.977 1 1 542 . 4 1 1 A 97 97 ILE N N 182 118.191 119.737 -1.546 1 1 543 . 4 1 1 A 98 98 THR H H 183 8.157 8.004 0.153 1 1 544 . 4 1 1 A 98 98 THR HA H 183 4.078 3.951 0.127 1 1 549 . 4 1 1 A 98 98 THR CA C 183 68.807 66.932 1.875 1 1 550 . 4 1 1 A 98 98 THR CB C 183 68.239 68.579 -0.340 1 1 552 . 4 1 1 A 98 98 THR N N 183 117.797 117.298 0.499 1 1 553 . 4 1 1 A 99 99 ILE H H 184 8.528 7.807 0.721 1 1 554 . 4 1 1 A 99 99 ILE HA H 184 3.727 3.639 0.088 1 1 564 . 4 1 1 A 99 99 ILE CA C 184 65.621 65.636 -0.015 1 1 565 . 4 1 1 A 99 99 ILE CB C 184 36.531 37.642 -1.111 1 1 569 . 4 1 1 A 99 99 ILE N N 184 120.576 121.174 -0.598 1 1 570 . 4 1 1 A 100 100 LYS H H 185 7.953 8.252 -0.299 1 1 571 . 4 1 1 A 100 100 LYS HA H 185 4.068 3.897 0.171 1 1 580 . 4 1 1 A 100 100 LYS CA C 185 59.636 59.715 -0.079 1 1 581 . 4 1 1 A 100 100 LYS CB C 185 31.989 32.386 -0.397 1 1 585 . 4 1 1 A 100 100 LYS N N 185 122.562 120.756 1.806 1 1 586 . 4 1 1 A 101 101 GLN H H 186 8.376 7.906 0.470 1 1 589 . 4 1 1 A 101 101 GLN CA C 186 57.741 58.831 -1.090 1 1 590 . 4 1 1 A 101 101 GLN N N 186 116.213 118.647 -2.434 1 1 592 . 4 1 1 A 102 102 HIS H H 187 8.199 8.046 0.153 1 1 593 . 4 1 1 A 102 102 HIS HA H 187 4.593 4.307 0.286 1 1 596 . 4 1 1 A 102 102 HIS CA C 187 59.062 59.141 -0.079 1 1 597 . 4 1 1 A 102 102 HIS CB C 187 30.384 29.705 0.679 1 1 598 . 4 1 1 A 102 102 HIS N N 187 118.199 120.617 -2.418 1 1 599 . 4 1 1 A 103 103 THR H H 188 8.245 8.292 -0.047 1 1 600 . 4 1 1 A 103 103 THR HA H 188 4.184 4.119 0.065 1 1 605 . 4 1 1 A 103 103 THR CA C 188 65.017 65.169 -0.152 1 1 606 . 4 1 1 A 103 103 THR CB C 188 69.167 68.882 0.285 1 1 608 . 4 1 1 A 103 103 THR N N 188 113.748 114.027 -0.279 1 1 609 . 4 1 1 A 104 104 VAL H H 189 8.013 8.096 -0.083 1 1 610 . 4 1 1 A 104 104 VAL HA H 189 4.004 3.579 0.425 1 1 618 . 4 1 1 A 104 104 VAL CA C 189 65.151 66.937 -1.786 1 1 619 . 4 1 1 A 104 104 VAL CB C 189 31.743 31.870 -0.127 1 1 622 . 4 1 1 A 104 104 VAL N N 189 122.142 120.910 1.232 1 1 623 . 4 1 1 A 105 105 THR H H 190 8.092 8.231 -0.139 1 1 624 . 4 1 1 A 105 105 THR HA H 190 4.250 4.042 0.208 1 1 629 . 4 1 1 A 105 105 THR CA C 190 64.314 65.925 -1.611 1 1 630 . 4 1 1 A 105 105 THR CB C 190 69.159 68.142 1.017 1 1 632 . 4 1 1 A 105 105 THR N N 190 115.022 116.233 -1.211 1 1 633 . 4 1 1 A 106 106 THR H H 191 8.017 7.959 0.058 1 1 634 . 4 1 1 A 106 106 THR HA H 191 4.214 4.101 0.113 1 1 639 . 4 1 1 A 106 106 THR CA C 191 63.874 65.854 -1.980 1 1 640 . 4 1 1 A 106 106 THR CB C 191 69.009 68.539 0.470 1 1 642 . 4 1 1 A 106 106 THR N N 191 114.622 116.749 -2.127 1 1 643 . 4 1 1 A 107 107 THR H H 192 8.194 7.907 0.287 1 1 644 . 4 1 1 A 107 107 THR CA C 192 64.201 66.036 -1.835 1 1 645 . 4 1 1 A 107 107 THR CB C 192 69.159 68.453 0.706 1 1 647 . 4 1 1 A 107 107 THR N N 192 116.611 117.663 -1.052 1 1 648 . 4 1 1 A 108 108 THR H H 193 7.932 8.026 -0.094 1 1 649 . 4 1 1 A 108 108 THR CA C 193 63.871 67.176 -3.305 1 1 650 . 4 1 1 A 108 108 THR CB C 193 69.002 68.564 0.438 1 1 652 . 4 1 1 A 108 108 THR N N 193 116.096 117.216 -1.120 1 1 653 . 4 1 1 A 109 109 LYS H H 194 7.821 7.205 0.616 1 1 654 . 4 1 1 A 109 109 LYS HA H 194 4.364 4.345 0.019 1 1 663 . 4 1 1 A 109 109 LYS CA C 194 56.285 55.929 0.356 1 1 664 . 4 1 1 A 109 109 LYS CB C 194 32.636 33.190 -0.554 1 1 668 . 4 1 1 A 109 109 LYS N N 194 120.975 117.487 3.488 1 1 669 . 4 1 1 A 110 110 GLY H H 195 8.109 7.892 0.217 1 1 670 . 4 1 1 A 110 110 GLY HA2 H 195 3.858 3.925 -0.067 1 1 671 . 4 1 1 A 110 110 GLY HA3 H 195 4.083 3.930 0.153 1 1 672 . 4 1 1 A 110 110 GLY CA C 195 45.511 46.429 -0.918 1 1 673 . 4 1 1 A 110 110 GLY N N 195 108.675 109.629 -0.954 1 1 674 . 4 1 1 A 111 111 GLU H H 196 7.706 7.563 0.143 1 1 675 . 4 1 1 A 111 111 GLU HA H 196 4.258 4.804 -0.546 1 1 680 . 4 1 1 A 111 111 GLU CA C 196 55.837 54.707 1.130 1 1 681 . 4 1 1 A 111 111 GLU CB C 196 30.673 32.908 -2.235 1 1 683 . 4 1 1 A 111 111 GLU N N 196 120.028 119.347 0.681 1 1 684 . 4 1 1 A 112 112 ASN H H 197 8.460 8.664 -0.204 1 1 685 . 4 1 1 A 112 112 ASN HA H 197 4.668 5.299 -0.631 1 1 690 . 4 1 1 A 112 112 ASN CA C 197 52.923 51.756 1.167 1 1 691 . 4 1 1 A 112 112 ASN CB C 197 40.491 41.807 -1.316 1 1 692 . 4 1 1 A 112 112 ASN N N 197 119.716 117.834 1.882 1 1 694 . 4 1 1 A 113 113 PHE H H 198 8.655 8.135 0.520 1 1 695 . 4 1 1 A 113 113 PHE HA H 198 5.262 5.751 -0.489 1 1 698 . 4 1 1 A 113 113 PHE CA C 198 56.640 55.346 1.294 1 1 699 . 4 1 1 A 113 113 PHE CB C 198 39.899 42.167 -2.268 1 1 700 . 4 1 1 A 113 113 PHE N N 198 122.046 117.880 4.166 1 1 701 . 4 1 1 A 114 114 THR H H 199 9.506 8.941 0.565 1 1 702 . 4 1 1 A 114 114 THR HA H 199 4.625 4.740 -0.115 1 1 707 . 4 1 1 A 114 114 THR CA C 199 60.305 60.329 -0.024 1 1 708 . 4 1 1 A 114 114 THR CB C 199 72.033 71.636 0.397 1 1 710 . 4 1 1 A 114 114 THR N N 199 116.124 114.186 1.938 1 1 711 . 4 1 1 A 115 115 GLU H H 200 9.120 9.075 0.045 1 1 712 . 4 1 1 A 115 115 GLU HA H 200 4.051 4.153 -0.102 1 1 717 . 4 1 1 A 115 115 GLU CA C 200 59.877 59.172 0.705 1 1 718 . 4 1 1 A 115 115 GLU CB C 200 28.787 29.139 -0.352 1 1 720 . 4 1 1 A 115 115 GLU N N 200 119.993 120.555 -0.562 1 1 721 . 4 1 1 A 116 116 THR H H 201 7.955 7.715 0.240 1 1 722 . 4 1 1 A 116 116 THR HA H 201 3.794 4.088 -0.294 1 1 727 . 4 1 1 A 116 116 THR CA C 201 66.734 66.499 0.235 1 1 728 . 4 1 1 A 116 116 THR CB C 201 68.624 69.183 -0.559 1 1 730 . 4 1 1 A 116 116 THR N N 201 116.160 117.084 -0.924 1 1 731 . 4 1 1 A 117 117 ASP H H 202 7.505 8.047 -0.542 1 1 732 . 4 1 1 A 117 117 ASP HA H 202 4.577 4.547 0.030 1 1 735 . 4 1 1 A 117 117 ASP CA C 202 58.057 57.450 0.607 1 1 736 . 4 1 1 A 117 117 ASP CB C 202 41.747 40.632 1.115 1 1 737 . 4 1 1 A 117 117 ASP N N 202 120.175 120.964 -0.789 1 1 738 . 4 1 1 A 118 118 VAL H H 203 8.236 8.481 -0.245 1 1 739 . 4 1 1 A 118 118 VAL HA H 203 3.324 3.767 -0.443 1 1 747 . 4 1 1 A 118 118 VAL CA C 203 67.799 64.913 2.886 1 1 748 . 4 1 1 A 118 118 VAL CB C 203 31.269 30.961 0.308 1 1 751 . 4 1 1 A 118 118 VAL N N 203 119.654 118.881 0.773 1 1 752 . 4 1 1 A 119 119 LYS H H 204 7.740 7.766 -0.026 1 1 753 . 4 1 1 A 119 119 LYS HA H 204 4.090 3.998 0.092 1 1 762 . 4 1 1 A 119 119 LYS CA C 204 59.368 59.510 -0.142 1 1 763 . 4 1 1 A 119 119 LYS CB C 204 32.165 32.352 -0.187 1 1 767 . 4 1 1 A 119 119 LYS N N 204 119.288 122.380 -3.092 1 1 768 . 4 1 1 A 120 120 MET H H 205 8.235 8.231 0.004 1 1 769 . 4 1 1 A 120 120 MET HA H 205 4.158 4.308 -0.150 1 1 777 . 4 1 1 A 120 120 MET CA C 205 59.819 58.834 0.985 1 1 778 . 4 1 1 A 120 120 MET CB C 205 33.078 32.515 0.563 1 1 781 . 4 1 1 A 120 120 MET N N 205 118.767 118.870 -0.103 1 1 782 . 4 1 1 A 121 121 MET H H 206 8.755 8.056 0.699 1 1 783 . 4 1 1 A 121 121 MET HA H 206 3.580 3.669 -0.089 1 1 791 . 4 1 1 A 121 121 MET CA C 206 59.639 58.158 1.481 1 1 792 . 4 1 1 A 121 121 MET CB C 206 32.777 32.315 0.462 1 1 795 . 4 1 1 A 121 121 MET N N 206 118.428 118.736 -0.308 1 1 796 . 4 1 1 A 122 122 GLU H H 207 8.419 7.634 0.785 1 1 797 . 4 1 1 A 122 122 GLU HA H 207 3.688 4.029 -0.341 1 1 802 . 4 1 1 A 122 122 GLU CA C 207 60.390 59.325 1.065 1 1 803 . 4 1 1 A 122 122 GLU CB C 207 28.448 29.235 -0.787 1 1 805 . 4 1 1 A 122 122 GLU N N 207 118.469 118.244 0.225 1 1 806 . 4 1 1 A 123 123 ARG H H 208 7.344 7.781 -0.437 1 1 807 . 4 1 1 A 123 123 ARG HA H 208 4.163 4.124 0.039 1 1 815 . 4 1 1 A 123 123 ARG CA C 208 58.537 58.940 -0.403 1 1 816 . 4 1 1 A 123 123 ARG CB C 208 29.925 29.843 0.082 1 1 819 . 4 1 1 A 123 123 ARG N N 208 116.990 121.231 -4.241 1 1 821 . 4 1 1 A 124 124 VAL H H 209 8.299 7.632 0.667 1 1 822 . 4 1 1 A 124 124 VAL HA H 209 3.798 3.900 -0.102 1 1 830 . 4 1 1 A 124 124 VAL CA C 209 65.995 64.935 1.060 1 1 831 . 4 1 1 A 124 124 VAL CB C 209 32.075 31.666 0.409 1 1 834 . 4 1 1 A 124 124 VAL N N 209 119.301 118.772 0.529 1 1 835 . 4 1 1 A 125 125 VAL H H 210 9.016 8.082 0.934 1 1 836 . 4 1 1 A 125 125 VAL HA H 210 3.643 3.539 0.104 1 1 844 . 4 1 1 A 125 125 VAL CA C 210 66.591 66.833 -0.242 1 1 845 . 4 1 1 A 125 125 VAL CB C 210 31.836 31.254 0.582 1 1 848 . 4 1 1 A 125 125 VAL N N 210 121.312 121.252 0.060 1 1 849 . 4 1 1 A 126 126 GLU H H 211 8.153 8.170 -0.017 1 1 850 . 4 1 1 A 126 126 GLU HA H 211 3.622 3.977 -0.355 1 1 855 . 4 1 1 A 126 126 GLU CA C 211 60.997 59.630 1.367 1 1 856 . 4 1 1 A 126 126 GLU CB C 211 28.921 29.147 -0.226 1 1 858 . 4 1 1 A 126 126 GLU N N 211 120.456 119.701 0.755 1 1 859 . 4 1 1 A 127 127 GLN H H 212 7.274 7.395 -0.121 1 1 862 . 4 1 1 A 127 127 GLN CA C 212 58.803 58.811 -0.008 1 1 863 . 4 1 1 A 127 127 GLN N N 212 115.025 119.727 -4.702 1 1 865 . 4 1 1 A 128 128 MET H H 213 8.324 8.048 0.276 1 1 866 . 4 1 1 A 128 128 MET HA H 213 4.146 4.034 0.112 1 1 872 . 4 1 1 A 128 128 MET CA C 213 59.976 58.556 1.420 1 1 873 . 4 1 1 A 128 128 MET CB C 213 31.911 32.038 -0.127 1 1 875 . 4 1 1 A 128 128 MET N N 213 119.344 118.751 0.593 1 1 876 . 4 1 1 A 129 129 CYS H H 214 9.219 7.759 1.460 1 1 877 . 4 1 1 A 129 129 CYS CA C 214 59.821 63.390 -3.569 1 1 878 . 4 1 1 A 129 129 CYS N N 214 118.992 117.936 1.056 1 1 879 . 4 1 1 A 130 130 ILE H H 215 8.340 7.891 0.449 1 1 880 . 4 1 1 A 130 130 ILE HA H 215 3.563 3.860 -0.297 1 1 890 . 4 1 1 A 130 130 ILE CA C 215 66.751 64.147 2.604 1 1 891 . 4 1 1 A 130 130 ILE CB C 215 37.814 36.342 1.472 1 1 895 . 4 1 1 A 130 130 ILE N N 215 123.750 121.645 2.105 1 1 896 . 4 1 1 A 131 131 THR H H 216 8.142 7.867 0.275 1 1 897 . 4 1 1 A 131 131 THR HA H 216 3.940 3.863 0.077 1 1 902 . 4 1 1 A 131 131 THR CA C 216 66.898 66.794 0.104 1 1 903 . 4 1 1 A 131 131 THR CB C 216 69.608 68.506 1.102 1 1 905 . 4 1 1 A 131 131 THR N N 216 118.528 117.991 0.537 1 1 906 . 4 1 1 A 132 132 GLN H H 217 8.687 7.282 1.405 1 1 907 . 4 1 1 A 132 132 GLN HA H 217 3.688 3.967 -0.279 1 1 914 . 4 1 1 A 132 132 GLN CA C 217 58.527 58.296 0.231 1 1 915 . 4 1 1 A 132 132 GLN CB C 217 28.353 28.483 -0.130 1 1 917 . 4 1 1 A 132 132 GLN N N 217 121.765 118.409 3.356 1 1 919 . 4 1 1 A 133 133 TYR HA H 218 4.532 4.721 -0.189 1 1 926 . 4 1 1 A 133 133 TYR CA C 218 55.867 57.787 -1.920 1 1 927 . 4 1 1 A 133 133 TYR CB C 218 37.912 38.772 -0.860 1 1 930 . 4 1 1 A 134 134 GLU H H 219 8.293 8.866 -0.573 1 1 931 . 4 1 1 A 134 134 GLU HA H 219 3.689 4.106 -0.417 1 1 936 . 4 1 1 A 134 134 GLU CA C 219 59.268 59.589 -0.321 1 1 937 . 4 1 1 A 134 134 GLU CB C 219 28.324 29.057 -0.733 1 1 939 . 4 1 1 A 134 134 GLU N N 219 120.400 124.965 -4.565 1 1 940 . 4 1 1 A 135 135 ARG H H 220 7.887 8.092 -0.205 1 1 941 . 4 1 1 A 135 135 ARG HA H 220 3.981 4.059 -0.078 1 1 949 . 4 1 1 A 135 135 ARG CA C 220 59.266 59.382 -0.116 1 1 950 . 4 1 1 A 135 135 ARG CB C 220 30.337 29.693 0.644 1 1 953 . 4 1 1 A 135 135 ARG N N 220 118.589 120.036 -1.447 1 1 955 . 4 1 1 A 137 137 SER HA H 222 3.954 4.172 -0.218 1 1 958 . 4 1 1 A 137 137 SER CA C 222 60.572 61.212 -0.640 1 1 959 . 4 1 1 A 137 137 SER CB C 222 62.761 63.197 -0.436 1 1 960 . 4 1 1 A 138 138 GLN H H 223 7.624 7.655 -0.031 1 1 961 . 4 1 1 A 138 138 GLN HA H 223 4.153 4.416 -0.263 1 1 968 . 4 1 1 A 138 138 GLN CA C 223 57.658 58.024 -0.366 1 1 969 . 4 1 1 A 138 138 GLN CB C 223 28.370 27.490 0.880 1 1 971 . 4 1 1 A 138 138 GLN N N 223 120.575 120.864 -0.289 1 1 973 . 4 1 1 A 139 139 ALA H H 224 7.627 8.211 -0.584 1 1 974 . 4 1 1 A 139 139 ALA HA H 224 4.156 4.220 -0.064 1 1 978 . 4 1 1 A 139 139 ALA CA C 224 54.017 54.787 -0.770 1 1 979 . 4 1 1 A 139 139 ALA CB C 224 18.645 18.594 0.051 1 1 980 . 4 1 1 A 139 139 ALA N N 224 121.263 122.365 -1.102 1 1 981 . 4 1 1 A 140 140 TYR H H 225 8.048 8.502 -0.454 1 1 982 . 4 1 1 A 140 140 TYR HA H 225 4.204 4.414 -0.210 1 1 989 . 4 1 1 A 140 140 TYR CA C 225 59.890 60.666 -0.776 1 1 990 . 4 1 1 A 140 140 TYR CB C 225 38.994 37.016 1.978 1 1 993 . 4 1 1 A 140 140 TYR N N 225 118.980 117.281 1.699 1 1 994 . 4 1 1 A 141 141 TYR H H 226 7.948 7.541 0.407 1 1 995 . 4 1 1 A 141 141 TYR HA H 226 4.375 3.611 0.764 1 1 1002 . 4 1 1 A 141 141 TYR CA C 226 59.036 60.971 -1.935 1 1 1003 . 4 1 1 A 141 141 TYR CB C 226 38.060 38.526 -0.466 1 1 1006 . 4 1 1 A 141 141 TYR N N 226 118.596 120.568 -1.972 1 1 1007 . 4 1 1 A 142 142 GLN H H 227 7.941 7.671 0.270 1 1 1008 . 4 1 1 A 142 142 GLN HA H 227 4.240 4.610 -0.370 1 1 1015 . 4 1 1 A 142 142 GLN CA C 227 56.346 55.788 0.558 1 1 1016 . 4 1 1 A 142 142 GLN CB C 227 28.912 29.912 -1.000 1 1 1018 . 4 1 1 A 142 142 GLN N N 227 119.883 117.905 1.978 1 1 1020 . 4 1 1 A 143 143 ARG H H 228 7.966 8.933 -0.967 1 1 1021 . 4 1 1 A 143 143 ARG HA H 228 4.244 5.190 -0.946 1 1 1029 . 4 1 1 A 143 143 ARG CA C 228 56.719 54.176 2.543 1 1 1030 . 4 1 1 A 143 143 ARG CB C 228 30.731 34.621 -3.890 1 1 1033 . 4 1 1 A 143 143 ARG N N 228 120.871 122.269 -1.398 1 1 1035 . 4 1 1 A 144 144 GLY H H 229 8.247 8.433 -0.186 1 1 1036 . 4 1 1 A 144 144 GLY HA2 H 229 3.992 4.163 -0.171 1 1 1037 . 4 1 1 A 144 144 GLY HA3 H 229 3.992 4.166 -0.174 1 1 1038 . 4 1 1 A 144 144 GLY CA C 229 45.359 45.906 -0.547 1 1 1039 . 4 1 1 A 144 144 GLY N N 229 109.072 106.755 2.317 1 1 1040 . 4 1 1 A 145 145 SER H H 230 8.139 9.109 -0.970 1 1 1041 . 4 1 1 A 145 145 SER HA H 230 4.506 5.293 -0.787 1 1 1044 . 4 1 1 A 145 145 SER CA C 230 58.123 56.124 1.999 1 1 1045 . 4 1 1 A 145 145 SER CB C 230 63.878 66.454 -2.576 1 1 1046 . 4 1 1 A 145 145 SER N N 230 115.684 118.235 -2.551 1 1 16 . 5 1 1 A 41 41 GLY H H 126 8.484 7.732 0.752 1 1 17 . 5 1 1 A 41 41 GLY HA2 H 126 3.861 4.058 -0.197 1 1 18 . 5 1 1 A 41 41 GLY HA3 H 126 3.920 4.060 -0.140 1 1 19 . 5 1 1 A 41 41 GLY CA C 126 46.260 45.407 0.853 1 1 20 . 5 1 1 A 41 41 GLY N N 126 109.470 104.896 4.574 1 1 21 . 5 1 1 A 42 42 GLY H H 127 8.326 8.510 -0.184 1 1 22 . 5 1 1 A 42 42 GLY HA2 H 127 3.749 3.948 -0.199 1 1 23 . 5 1 1 A 42 42 GLY HA3 H 127 3.900 3.985 -0.085 1 1 24 . 5 1 1 A 42 42 GLY CA C 127 45.226 47.059 -1.833 1 1 25 . 5 1 1 A 42 42 GLY N N 127 109.020 109.661 -0.641 1 1 26 . 5 1 1 A 43 43 TYR H H 128 7.692 8.287 -0.595 1 1 27 . 5 1 1 A 43 43 TYR HA H 128 4.675 4.773 -0.098 1 1 34 . 5 1 1 A 43 43 TYR CA C 128 57.271 57.167 0.104 1 1 35 . 5 1 1 A 43 43 TYR CB C 128 40.257 36.829 3.428 1 1 38 . 5 1 1 A 43 43 TYR N N 128 117.301 120.000 -2.699 1 1 39 . 5 1 1 A 44 44 VAL H H 129 8.974 7.945 1.029 1 1 40 . 5 1 1 A 44 44 VAL HA H 129 4.344 3.988 0.356 1 1 48 . 5 1 1 A 44 44 VAL CA C 129 59.555 62.862 -3.307 1 1 49 . 5 1 1 A 44 44 VAL CB C 129 34.728 32.053 2.675 1 1 52 . 5 1 1 A 44 44 VAL N N 129 118.589 124.204 -5.615 1 1 53 . 5 1 1 A 45 45 LEU H H 130 8.029 8.532 -0.503 1 1 62 . 5 1 1 A 45 45 LEU N N 130 123.350 126.949 -3.599 1 1 63 . 5 1 1 A 46 46 GLY H H 131 9.278 8.285 0.993 1 1 64 . 5 1 1 A 46 46 GLY CA C 131 44.842 45.817 -0.975 1 1 65 . 5 1 1 A 46 46 GLY N N 131 114.623 110.443 4.180 1 1 66 . 5 1 1 A 47 47 SER H H 132 8.315 8.586 -0.271 1 1 67 . 5 1 1 A 47 47 SER HA H 132 4.438 4.414 0.024 1 1 70 . 5 1 1 A 47 47 SER CA C 132 58.520 59.043 -0.523 1 1 71 . 5 1 1 A 47 47 SER CB C 132 64.166 63.977 0.189 1 1 72 . 5 1 1 A 47 47 SER N N 132 113.038 118.996 -5.958 1 1 73 . 5 1 1 A 48 48 ALA H H 133 8.736 8.352 0.384 1 1 74 . 5 1 1 A 48 48 ALA HA H 133 4.425 4.413 0.012 1 1 78 . 5 1 1 A 48 48 ALA CA C 133 53.090 51.695 1.395 1 1 79 . 5 1 1 A 48 48 ALA CB C 133 18.465 19.742 -1.277 1 1 80 . 5 1 1 A 48 48 ALA N N 133 125.270 126.521 -1.251 1 1 81 . 5 1 1 A 49 49 MET H H 134 8.758 8.637 0.121 1 1 82 . 5 1 1 A 49 49 MET HA H 134 4.754 4.981 -0.227 1 1 90 . 5 1 1 A 49 49 MET CA C 134 53.972 53.810 0.162 1 1 91 . 5 1 1 A 49 49 MET CB C 134 37.222 33.666 3.556 1 1 94 . 5 1 1 A 49 49 MET N N 134 120.911 119.672 1.239 1 1 95 . 5 1 1 A 50 50 SER H H 135 8.430 8.671 -0.241 1 1 96 . 5 1 1 A 50 50 SER HA H 135 4.356 4.745 -0.389 1 1 99 . 5 1 1 A 50 50 SER CA C 135 58.630 58.196 0.434 1 1 100 . 5 1 1 A 50 50 SER CB C 135 63.575 62.550 1.025 1 1 101 . 5 1 1 A 50 50 SER N N 135 116.162 116.980 -0.818 1 1 102 . 5 1 1 A 51 51 ARG H H 136 8.646 8.899 -0.253 1 1 103 . 5 1 1 A 51 51 ARG HA H 136 4.434 3.987 0.447 1 1 111 . 5 1 1 A 51 51 ARG CA C 136 54.863 56.935 -2.072 1 1 112 . 5 1 1 A 51 51 ARG CB C 136 30.519 28.808 1.711 1 1 115 . 5 1 1 A 51 51 ARG N N 136 126.460 122.099 4.361 1 1 117 . 5 1 1 A 52 52 PRO HA H 137 4.413 4.630 -0.217 1 1 124 . 5 1 1 A 52 52 PRO CA C 137 62.198 62.305 -0.107 1 1 125 . 5 1 1 A 52 52 PRO CB C 137 32.165 29.244 2.921 1 1 128 . 5 1 1 A 53 53 ILE H H 138 8.647 8.372 0.275 1 1 129 . 5 1 1 A 53 53 ILE HA H 138 4.160 4.234 -0.074 1 1 139 . 5 1 1 A 53 53 ILE CA C 138 60.851 61.776 -0.925 1 1 140 . 5 1 1 A 53 53 ILE CB C 138 36.101 38.934 -2.833 1 1 144 . 5 1 1 A 53 53 ILE N N 138 122.534 122.840 -0.306 1 1 145 . 5 1 1 A 54 54 ILE H H 139 6.485 8.638 -2.153 1 1 146 . 5 1 1 A 54 54 ILE HA H 139 3.926 4.712 -0.786 1 1 156 . 5 1 1 A 54 54 ILE CA C 139 58.665 58.587 0.078 1 1 157 . 5 1 1 A 54 54 ILE CB C 139 39.251 40.802 -1.551 1 1 161 . 5 1 1 A 54 54 ILE N N 139 126.733 129.000 -2.267 1 1 162 . 5 1 1 A 55 55 HIS H H 140 8.249 8.342 -0.093 1 1 163 . 5 1 1 A 55 55 HIS HA H 140 4.935 4.079 0.856 1 1 167 . 5 1 1 A 55 55 HIS CA C 140 54.209 56.913 -2.704 1 1 168 . 5 1 1 A 55 55 HIS CB C 140 29.326 29.562 -0.236 1 1 170 . 5 1 1 A 55 55 HIS N N 140 122.048 124.932 -2.884 1 1 171 . 5 1 1 A 56 56 PHE H H 141 10.205 8.241 1.964 1 1 172 . 5 1 1 A 56 56 PHE HA H 141 4.360 3.825 0.535 1 1 175 . 5 1 1 A 56 56 PHE CA C 141 59.367 61.020 -1.653 1 1 176 . 5 1 1 A 56 56 PHE CB C 141 41.594 39.072 2.522 1 1 177 . 5 1 1 A 56 56 PHE N N 141 124.145 124.534 -0.389 1 1 178 . 5 1 1 A 57 57 GLY H H 142 9.008 8.676 0.332 1 1 179 . 5 1 1 A 57 57 GLY HA2 H 142 3.835 4.025 -0.190 1 1 180 . 5 1 1 A 57 57 GLY HA3 H 142 4.168 4.026 0.142 1 1 181 . 5 1 1 A 57 57 GLY CA C 142 45.777 45.555 0.222 1 1 182 . 5 1 1 A 57 57 GLY N N 142 108.268 108.163 0.105 1 1 183 . 5 1 1 A 58 58 SER H H 143 7.327 7.763 -0.436 1 1 184 . 5 1 1 A 58 58 SER HA H 143 4.820 4.896 -0.076 1 1 187 . 5 1 1 A 58 58 SER CA C 143 56.405 56.313 0.092 1 1 188 . 5 1 1 A 58 58 SER CB C 143 66.034 66.574 -0.540 1 1 189 . 5 1 1 A 58 58 SER N N 143 111.827 111.369 0.458 1 1 190 . 5 1 1 A 59 59 ASP H H 144 9.051 9.034 0.017 1 1 191 . 5 1 1 A 59 59 ASP HA H 144 4.502 4.090 0.412 1 1 194 . 5 1 1 A 59 59 ASP CA C 144 57.676 56.901 0.775 1 1 195 . 5 1 1 A 59 59 ASP CB C 144 40.505 40.071 0.434 1 1 196 . 5 1 1 A 59 59 ASP N N 144 124.541 126.313 -1.772 1 1 197 . 5 1 1 A 60 60 TYR H H 145 8.571 7.764 0.807 1 1 198 . 5 1 1 A 60 60 TYR HA H 145 4.197 4.241 -0.044 1 1 205 . 5 1 1 A 60 60 TYR CA C 145 61.232 61.460 -0.228 1 1 206 . 5 1 1 A 60 60 TYR CB C 145 37.912 37.617 0.295 1 1 209 . 5 1 1 A 60 60 TYR N N 145 118.914 118.839 0.075 1 1 210 . 5 1 1 A 61 61 GLU H H 146 7.737 8.642 -0.905 1 1 211 . 5 1 1 A 61 61 GLU HA H 146 3.590 4.231 -0.641 1 1 216 . 5 1 1 A 61 61 GLU CA C 146 59.607 59.649 -0.042 1 1 217 . 5 1 1 A 61 61 GLU CB C 146 30.059 29.139 0.920 1 1 219 . 5 1 1 A 61 61 GLU N N 146 118.985 119.263 -0.278 1 1 220 . 5 1 1 A 62 62 ASP H H 147 8.213 8.529 -0.316 1 1 221 . 5 1 1 A 62 62 ASP HA H 147 4.666 4.467 0.199 1 1 224 . 5 1 1 A 62 62 ASP CA C 147 58.292 57.440 0.852 1 1 225 . 5 1 1 A 62 62 ASP CB C 147 40.171 41.912 -1.741 1 1 226 . 5 1 1 A 62 62 ASP N N 147 119.785 119.998 -0.213 1 1 227 . 5 1 1 A 63 63 ARG H H 148 8.229 7.521 0.708 1 1 228 . 5 1 1 A 63 63 ARG HA H 148 4.016 4.012 0.004 1 1 236 . 5 1 1 A 63 63 ARG CA C 148 59.611 59.702 -0.091 1 1 237 . 5 1 1 A 63 63 ARG CB C 148 30.059 29.976 0.083 1 1 240 . 5 1 1 A 63 63 ARG N N 148 120.339 119.009 1.330 1 1 242 . 5 1 1 A 64 64 TYR H H 149 8.340 8.422 -0.082 1 1 243 . 5 1 1 A 64 64 TYR HA H 149 3.829 4.350 -0.521 1 1 250 . 5 1 1 A 64 64 TYR CA C 149 61.991 61.121 0.870 1 1 251 . 5 1 1 A 64 64 TYR CB C 149 38.417 37.991 0.426 1 1 254 . 5 1 1 A 64 64 TYR N N 149 121.093 121.580 -0.487 1 1 255 . 5 1 1 A 65 65 TYR H H 150 8.979 8.426 0.553 1 1 256 . 5 1 1 A 65 65 TYR HA H 150 4.132 4.074 0.058 1 1 263 . 5 1 1 A 65 65 TYR CA C 150 62.691 61.401 1.290 1 1 264 . 5 1 1 A 65 65 TYR CB C 150 38.025 38.566 -0.541 1 1 267 . 5 1 1 A 65 65 TYR N N 150 120.575 120.937 -0.362 1 1 268 . 5 1 1 A 66 66 ARG H H 151 7.997 8.305 -0.308 1 1 269 . 5 1 1 A 66 66 ARG HA H 151 3.925 3.930 -0.005 1 1 277 . 5 1 1 A 66 66 ARG CA C 151 60.050 59.143 0.907 1 1 278 . 5 1 1 A 66 66 ARG CB C 151 29.901 29.672 0.229 1 1 281 . 5 1 1 A 66 66 ARG N N 151 117.799 119.698 -1.899 1 1 283 . 5 1 1 A 67 67 GLU H H 152 8.076 7.644 0.432 1 1 284 . 5 1 1 A 67 67 GLU HA H 152 4.082 4.007 0.075 1 1 289 . 5 1 1 A 67 67 GLU CA C 152 58.125 58.236 -0.111 1 1 290 . 5 1 1 A 67 67 GLU CB C 152 29.743 29.694 0.049 1 1 292 . 5 1 1 A 67 67 GLU N N 152 116.601 117.199 -0.598 1 1 293 . 5 1 1 A 68 68 ASN H H 153 7.621 7.753 -0.132 1 1 294 . 5 1 1 A 68 68 ASN HA H 153 4.321 4.753 -0.432 1 1 299 . 5 1 1 A 68 68 ASN CA C 153 54.958 54.497 0.461 1 1 300 . 5 1 1 A 68 68 ASN CB C 153 41.041 39.326 1.715 1 1 301 . 5 1 1 A 68 68 ASN N N 153 114.623 116.382 -1.759 1 1 303 . 5 1 1 A 69 69 MET H H 154 8.105 7.958 0.147 1 1 304 . 5 1 1 A 69 69 MET HA H 154 3.458 3.523 -0.065 1 1 312 . 5 1 1 A 69 69 MET CA C 154 59.104 57.865 1.239 1 1 313 . 5 1 1 A 69 69 MET CB C 154 30.533 32.053 -1.520 1 1 316 . 5 1 1 A 69 69 MET N N 154 119.633 117.934 1.699 1 1 317 . 5 1 1 A 70 70 HIS H H 155 8.070 8.204 -0.134 1 1 319 . 5 1 1 A 70 70 HIS CA C 155 57.650 58.569 -0.919 1 1 320 . 5 1 1 A 70 70 HIS CB C 155 27.591 28.737 -1.146 1 1 322 . 5 1 1 A 70 70 HIS N N 155 115.018 116.346 -1.328 1 1 323 . 5 1 1 A 71 71 ARG H H 156 7.618 8.364 -0.746 1 1 325 . 5 1 1 A 71 71 ARG CA C 156 56.278 55.665 0.613 1 1 326 . 5 1 1 A 71 71 ARG CB C 156 30.770 30.086 0.684 1 1 329 . 5 1 1 A 71 71 ARG N N 156 118.197 115.925 2.272 1 1 331 . 5 1 1 A 72 72 TYR H H 157 7.473 7.934 -0.461 1 1 332 . 5 1 1 A 72 72 TYR HA H 157 5.034 4.626 0.408 1 1 339 . 5 1 1 A 72 72 TYR CA C 157 52.768 56.170 -3.402 1 1 340 . 5 1 1 A 72 72 TYR CB C 157 35.150 38.807 -3.657 1 1 343 . 5 1 1 A 72 72 TYR N N 157 120.873 120.978 -0.105 1 1 344 . 5 1 1 A 73 73 PRO HA H 158 4.425 4.556 -0.131 1 1 351 . 5 1 1 A 73 73 PRO CA C 158 63.737 62.858 0.879 1 1 352 . 5 1 1 A 73 73 PRO CB C 158 32.071 32.602 -0.531 1 1 355 . 5 1 1 A 74 74 ASN H H 159 8.562 8.630 -0.068 1 1 356 . 5 1 1 A 74 74 ASN HA H 159 4.708 4.995 -0.287 1 1 361 . 5 1 1 A 74 74 ASN CA C 159 51.965 52.108 -0.143 1 1 362 . 5 1 1 A 74 74 ASN CB C 159 37.898 39.557 -1.659 1 1 363 . 5 1 1 A 74 74 ASN N N 159 116.213 120.430 -4.217 1 1 365 . 5 1 1 A 75 75 GLN H H 160 7.302 7.392 -0.090 1 1 366 . 5 1 1 A 75 75 GLN HA H 160 4.479 4.529 -0.050 1 1 371 . 5 1 1 A 75 75 GLN CA C 160 54.184 55.203 -1.019 1 1 372 . 5 1 1 A 75 75 GLN CB C 160 34.167 32.071 2.096 1 1 373 . 5 1 1 A 75 75 GLN N N 160 114.122 118.911 -4.789 1 1 375 . 5 1 1 A 76 76 VAL H H 161 8.635 8.497 0.138 1 1 376 . 5 1 1 A 76 76 VAL HA H 161 4.916 4.691 0.225 1 1 384 . 5 1 1 A 76 76 VAL CA C 161 58.557 59.636 -1.079 1 1 385 . 5 1 1 A 76 76 VAL CB C 161 33.635 35.989 -2.354 1 1 388 . 5 1 1 A 76 76 VAL N N 161 112.903 117.448 -4.545 1 1 389 . 5 1 1 A 77 77 TYR H H 162 8.554 8.597 -0.043 1 1 390 . 5 1 1 A 77 77 TYR HA H 162 5.440 5.289 0.151 1 1 397 . 5 1 1 A 77 77 TYR CA C 162 57.057 56.729 0.328 1 1 398 . 5 1 1 A 77 77 TYR CB C 162 42.147 41.030 1.117 1 1 401 . 5 1 1 A 77 77 TYR N N 162 120.972 122.494 -1.522 1 1 402 . 5 1 1 A 78 78 TYR H H 163 8.686 9.153 -0.467 1 1 403 . 5 1 1 A 78 78 TYR HA H 163 4.797 5.258 -0.461 1 1 410 . 5 1 1 A 78 78 TYR CA C 163 55.484 56.280 -0.796 1 1 413 . 5 1 1 A 78 78 TYR N N 163 111.059 121.970 -10.911 1 1 429 . 5 1 1 A 86 86 ASN HA H 171 4.733 5.045 -0.312 1 1 434 . 5 1 1 A 86 86 ASN CA C 171 52.388 52.612 -0.224 1 1 435 . 5 1 1 A 86 86 ASN CB C 171 39.935 41.925 -1.990 1 1 437 . 5 1 1 A 87 87 GLN H H 172 8.740 9.075 -0.335 1 1 440 . 5 1 1 A 87 87 GLN CA C 172 59.906 59.489 0.417 1 1 441 . 5 1 1 A 87 87 GLN CB C 172 29.065 28.854 0.211 1 1 443 . 5 1 1 A 87 87 GLN N N 172 121.279 121.995 -0.716 1 1 445 . 5 1 1 A 88 88 ASN H H 173 8.427 8.207 0.220 1 1 446 . 5 1 1 A 88 88 ASN HA H 173 4.255 4.574 -0.319 1 1 451 . 5 1 1 A 88 88 ASN CA C 173 56.396 56.105 0.291 1 1 452 . 5 1 1 A 88 88 ASN CB C 173 37.912 38.059 -0.147 1 1 453 . 5 1 1 A 88 88 ASN N N 173 116.210 118.600 -2.390 1 1 455 . 5 1 1 A 89 89 ASN H H 174 8.542 8.097 0.445 1 1 456 . 5 1 1 A 89 89 ASN HA H 174 4.509 4.214 0.295 1 1 461 . 5 1 1 A 89 89 ASN CA C 174 56.013 55.858 0.155 1 1 462 . 5 1 1 A 89 89 ASN CB C 174 38.359 38.906 -0.547 1 1 463 . 5 1 1 A 89 89 ASN N N 174 118.573 117.978 0.595 1 1 465 . 5 1 1 A 90 90 PHE H H 175 8.113 7.915 0.198 1 1 466 . 5 1 1 A 90 90 PHE CA C 175 61.432 61.602 -0.170 1 1 467 . 5 1 1 A 90 90 PHE N N 175 120.437 120.398 0.039 1 1 468 . 5 1 1 A 91 91 VAL H H 176 9.215 8.451 0.764 1 1 469 . 5 1 1 A 91 91 VAL HA H 176 3.608 3.586 0.022 1 1 477 . 5 1 1 A 91 91 VAL CA C 176 67.888 66.622 1.266 1 1 478 . 5 1 1 A 91 91 VAL CB C 176 32.042 31.739 0.303 1 1 480 . 5 1 1 A 91 91 VAL N N 176 120.071 118.642 1.429 1 1 481 . 5 1 1 A 92 92 HIS H H 177 8.497 7.802 0.695 1 1 482 . 5 1 1 A 92 92 HIS HA H 177 4.353 4.282 0.071 1 1 485 . 5 1 1 A 92 92 HIS CA C 177 59.251 59.791 -0.540 1 1 486 . 5 1 1 A 92 92 HIS CB C 177 28.104 29.779 -1.675 1 1 487 . 5 1 1 A 92 92 HIS N N 177 117.399 118.897 -1.498 1 1 488 . 5 1 1 A 93 93 ASN H H 178 7.860 8.632 -0.772 1 1 489 . 5 1 1 A 93 93 ASN HA H 178 4.521 4.294 0.227 1 1 494 . 5 1 1 A 93 93 ASN CA C 178 56.244 56.785 -0.541 1 1 495 . 5 1 1 A 93 93 ASN CB C 178 37.934 38.657 -0.723 1 1 496 . 5 1 1 A 93 93 ASN N N 178 116.474 117.777 -1.303 1 1 498 . 5 1 1 A 94 94 CYS H H 179 8.133 8.114 0.019 1 1 499 . 5 1 1 A 94 94 CYS CA C 179 58.595 63.289 -4.694 1 1 500 . 5 1 1 A 94 94 CYS CB C 179 40.911 26.848 14.063 1 1 501 . 5 1 1 A 94 94 CYS N N 179 120.418 118.245 2.173 1 1 502 . 5 1 1 A 95 95 VAL H H 180 9.280 7.552 1.728 1 1 503 . 5 1 1 A 95 95 VAL HA H 180 3.654 3.473 0.181 1 1 511 . 5 1 1 A 95 95 VAL CA C 180 66.400 66.835 -0.435 1 1 512 . 5 1 1 A 95 95 VAL CB C 180 31.912 31.580 0.332 1 1 515 . 5 1 1 A 95 95 VAL N N 180 125.212 121.673 3.539 1 1 516 . 5 1 1 A 96 96 ASN H H 181 7.696 8.029 -0.333 1 1 517 . 5 1 1 A 96 96 ASN HA H 181 4.321 4.403 -0.082 1 1 522 . 5 1 1 A 96 96 ASN CA C 181 56.419 56.519 -0.100 1 1 523 . 5 1 1 A 96 96 ASN CB C 181 38.654 38.805 -0.151 1 1 524 . 5 1 1 A 96 96 ASN N N 181 115.816 118.038 -2.222 1 1 526 . 5 1 1 A 97 97 ILE H H 182 8.385 7.559 0.826 1 1 527 . 5 1 1 A 97 97 ILE HA H 182 3.726 3.706 0.020 1 1 537 . 5 1 1 A 97 97 ILE CA C 182 62.446 65.316 -2.870 1 1 538 . 5 1 1 A 97 97 ILE CB C 182 36.464 37.419 -0.955 1 1 542 . 5 1 1 A 97 97 ILE N N 182 118.191 119.505 -1.314 1 1 543 . 5 1 1 A 98 98 THR H H 183 8.157 7.585 0.572 1 1 544 . 5 1 1 A 98 98 THR HA H 183 4.078 4.119 -0.041 1 1 549 . 5 1 1 A 98 98 THR CA C 183 68.807 66.926 1.881 1 1 550 . 5 1 1 A 98 98 THR CB C 183 68.239 68.825 -0.586 1 1 552 . 5 1 1 A 98 98 THR N N 183 117.797 117.066 0.731 1 1 553 . 5 1 1 A 99 99 ILE H H 184 8.528 8.049 0.479 1 1 554 . 5 1 1 A 99 99 ILE HA H 184 3.727 3.626 0.101 1 1 564 . 5 1 1 A 99 99 ILE CA C 184 65.621 64.366 1.255 1 1 565 . 5 1 1 A 99 99 ILE CB C 184 36.531 36.431 0.100 1 1 569 . 5 1 1 A 99 99 ILE N N 184 120.576 120.630 -0.054 1 1 570 . 5 1 1 A 100 100 LYS H H 185 7.953 8.148 -0.195 1 1 571 . 5 1 1 A 100 100 LYS HA H 185 4.068 3.862 0.206 1 1 580 . 5 1 1 A 100 100 LYS CA C 185 59.636 59.770 -0.134 1 1 581 . 5 1 1 A 100 100 LYS CB C 185 31.989 32.511 -0.522 1 1 585 . 5 1 1 A 100 100 LYS N N 185 122.562 121.981 0.581 1 1 586 . 5 1 1 A 101 101 GLN H H 186 8.376 7.758 0.618 1 1 589 . 5 1 1 A 101 101 GLN CA C 186 57.741 58.819 -1.078 1 1 590 . 5 1 1 A 101 101 GLN N N 186 116.213 118.318 -2.105 1 1 592 . 5 1 1 A 102 102 HIS H H 187 8.199 7.891 0.308 1 1 593 . 5 1 1 A 102 102 HIS HA H 187 4.593 4.271 0.322 1 1 596 . 5 1 1 A 102 102 HIS CA C 187 59.062 59.079 -0.017 1 1 597 . 5 1 1 A 102 102 HIS CB C 187 30.384 29.845 0.539 1 1 598 . 5 1 1 A 102 102 HIS N N 187 118.199 120.504 -2.305 1 1 599 . 5 1 1 A 103 103 THR H H 188 8.245 7.897 0.348 1 1 600 . 5 1 1 A 103 103 THR HA H 188 4.184 4.282 -0.098 1 1 605 . 5 1 1 A 103 103 THR CA C 188 65.017 65.331 -0.314 1 1 606 . 5 1 1 A 103 103 THR CB C 188 69.167 68.251 0.916 1 1 608 . 5 1 1 A 103 103 THR N N 188 113.748 113.172 0.576 1 1 609 . 5 1 1 A 104 104 VAL H H 189 8.013 7.939 0.074 1 1 610 . 5 1 1 A 104 104 VAL HA H 189 4.004 3.640 0.364 1 1 618 . 5 1 1 A 104 104 VAL CA C 189 65.151 66.856 -1.705 1 1 619 . 5 1 1 A 104 104 VAL CB C 189 31.743 31.815 -0.072 1 1 622 . 5 1 1 A 104 104 VAL N N 189 122.142 122.262 -0.120 1 1 623 . 5 1 1 A 105 105 THR H H 190 8.092 7.692 0.400 1 1 624 . 5 1 1 A 105 105 THR HA H 190 4.250 3.892 0.358 1 1 629 . 5 1 1 A 105 105 THR CA C 190 64.314 65.731 -1.417 1 1 630 . 5 1 1 A 105 105 THR CB C 190 69.159 68.324 0.835 1 1 632 . 5 1 1 A 105 105 THR N N 190 115.022 115.811 -0.789 1 1 633 . 5 1 1 A 106 106 THR H H 191 8.017 7.656 0.361 1 1 634 . 5 1 1 A 106 106 THR HA H 191 4.214 3.902 0.312 1 1 639 . 5 1 1 A 106 106 THR CA C 191 63.874 65.538 -1.664 1 1 640 . 5 1 1 A 106 106 THR CB C 191 69.009 68.393 0.616 1 1 642 . 5 1 1 A 106 106 THR N N 191 114.622 116.444 -1.822 1 1 643 . 5 1 1 A 107 107 THR H H 192 8.194 7.631 0.563 1 1 644 . 5 1 1 A 107 107 THR CA C 192 64.201 65.869 -1.668 1 1 645 . 5 1 1 A 107 107 THR CB C 192 69.159 68.129 1.030 1 1 647 . 5 1 1 A 107 107 THR N N 192 116.611 117.390 -0.779 1 1 648 . 5 1 1 A 108 108 THR H H 193 7.932 8.242 -0.310 1 1 649 . 5 1 1 A 108 108 THR CA C 193 63.871 67.277 -3.406 1 1 650 . 5 1 1 A 108 108 THR CB C 193 69.002 68.449 0.553 1 1 652 . 5 1 1 A 108 108 THR N N 193 116.096 117.531 -1.435 1 1 653 . 5 1 1 A 109 109 LYS H H 194 7.821 7.728 0.093 1 1 654 . 5 1 1 A 109 109 LYS HA H 194 4.364 4.335 0.029 1 1 663 . 5 1 1 A 109 109 LYS CA C 194 56.285 55.868 0.417 1 1 664 . 5 1 1 A 109 109 LYS CB C 194 32.636 33.166 -0.530 1 1 668 . 5 1 1 A 109 109 LYS N N 194 120.975 117.875 3.100 1 1 669 . 5 1 1 A 110 110 GLY H H 195 8.109 7.981 0.128 1 1 670 . 5 1 1 A 110 110 GLY HA2 H 195 3.858 3.900 -0.042 1 1 671 . 5 1 1 A 110 110 GLY HA3 H 195 4.083 3.902 0.181 1 1 672 . 5 1 1 A 110 110 GLY CA C 195 45.511 46.653 -1.142 1 1 673 . 5 1 1 A 110 110 GLY N N 195 108.675 109.458 -0.783 1 1 674 . 5 1 1 A 111 111 GLU H H 196 7.706 7.433 0.273 1 1 675 . 5 1 1 A 111 111 GLU HA H 196 4.258 4.948 -0.690 1 1 680 . 5 1 1 A 111 111 GLU CA C 196 55.837 54.494 1.343 1 1 681 . 5 1 1 A 111 111 GLU CB C 196 30.673 33.678 -3.005 1 1 683 . 5 1 1 A 111 111 GLU N N 196 120.028 118.747 1.281 1 1 684 . 5 1 1 A 112 112 ASN H H 197 8.460 8.789 -0.329 1 1 685 . 5 1 1 A 112 112 ASN HA H 197 4.668 5.583 -0.915 1 1 690 . 5 1 1 A 112 112 ASN CA C 197 52.923 51.117 1.806 1 1 691 . 5 1 1 A 112 112 ASN CB C 197 40.491 42.288 -1.797 1 1 692 . 5 1 1 A 112 112 ASN N N 197 119.716 117.264 2.452 1 1 694 . 5 1 1 A 113 113 PHE H H 198 8.655 8.067 0.588 1 1 695 . 5 1 1 A 113 113 PHE HA H 198 5.262 5.712 -0.450 1 1 698 . 5 1 1 A 113 113 PHE CA C 198 56.640 55.461 1.179 1 1 699 . 5 1 1 A 113 113 PHE CB C 198 39.899 41.951 -2.052 1 1 700 . 5 1 1 A 113 113 PHE N N 198 122.046 116.276 5.770 1 1 701 . 5 1 1 A 114 114 THR H H 199 9.506 8.981 0.525 1 1 702 . 5 1 1 A 114 114 THR HA H 199 4.625 4.757 -0.132 1 1 707 . 5 1 1 A 114 114 THR CA C 199 60.305 60.476 -0.171 1 1 708 . 5 1 1 A 114 114 THR CB C 199 72.033 71.385 0.648 1 1 710 . 5 1 1 A 114 114 THR N N 199 116.124 114.039 2.085 1 1 711 . 5 1 1 A 115 115 GLU H H 200 9.120 9.043 0.077 1 1 712 . 5 1 1 A 115 115 GLU HA H 200 4.051 4.175 -0.124 1 1 717 . 5 1 1 A 115 115 GLU CA C 200 59.877 59.217 0.660 1 1 718 . 5 1 1 A 115 115 GLU CB C 200 28.787 29.130 -0.343 1 1 720 . 5 1 1 A 115 115 GLU N N 200 119.993 120.895 -0.902 1 1 721 . 5 1 1 A 116 116 THR H H 201 7.955 7.704 0.251 1 1 722 . 5 1 1 A 116 116 THR HA H 201 3.794 4.083 -0.289 1 1 727 . 5 1 1 A 116 116 THR CA C 201 66.734 66.688 0.046 1 1 728 . 5 1 1 A 116 116 THR CB C 201 68.624 69.145 -0.521 1 1 730 . 5 1 1 A 116 116 THR N N 201 116.160 116.890 -0.730 1 1 731 . 5 1 1 A 117 117 ASP H H 202 7.505 8.063 -0.558 1 1 732 . 5 1 1 A 117 117 ASP HA H 202 4.577 4.545 0.032 1 1 735 . 5 1 1 A 117 117 ASP CA C 202 58.057 57.276 0.781 1 1 736 . 5 1 1 A 117 117 ASP CB C 202 41.747 40.861 0.886 1 1 737 . 5 1 1 A 117 117 ASP N N 202 120.175 121.460 -1.285 1 1 738 . 5 1 1 A 118 118 VAL H H 203 8.236 8.614 -0.378 1 1 739 . 5 1 1 A 118 118 VAL HA H 203 3.324 3.777 -0.453 1 1 747 . 5 1 1 A 118 118 VAL CA C 203 67.799 65.167 2.632 1 1 748 . 5 1 1 A 118 118 VAL CB C 203 31.269 30.906 0.363 1 1 751 . 5 1 1 A 118 118 VAL N N 203 119.654 118.979 0.675 1 1 752 . 5 1 1 A 119 119 LYS H H 204 7.740 7.724 0.016 1 1 753 . 5 1 1 A 119 119 LYS HA H 204 4.090 4.014 0.076 1 1 762 . 5 1 1 A 119 119 LYS CA C 204 59.368 59.695 -0.327 1 1 763 . 5 1 1 A 119 119 LYS CB C 204 32.165 32.439 -0.274 1 1 767 . 5 1 1 A 119 119 LYS N N 204 119.288 122.830 -3.542 1 1 768 . 5 1 1 A 120 120 MET H H 205 8.235 8.092 0.143 1 1 769 . 5 1 1 A 120 120 MET HA H 205 4.158 4.324 -0.166 1 1 777 . 5 1 1 A 120 120 MET CA C 205 59.819 58.846 0.973 1 1 778 . 5 1 1 A 120 120 MET CB C 205 33.078 32.154 0.924 1 1 781 . 5 1 1 A 120 120 MET N N 205 118.767 118.604 0.163 1 1 782 . 5 1 1 A 121 121 MET H H 206 8.755 7.811 0.944 1 1 783 . 5 1 1 A 121 121 MET HA H 206 3.580 3.853 -0.273 1 1 791 . 5 1 1 A 121 121 MET CA C 206 59.639 57.771 1.868 1 1 792 . 5 1 1 A 121 121 MET CB C 206 32.777 31.979 0.798 1 1 795 . 5 1 1 A 121 121 MET N N 206 118.428 120.206 -1.778 1 1 796 . 5 1 1 A 122 122 GLU H H 207 8.419 8.180 0.239 1 1 797 . 5 1 1 A 122 122 GLU HA H 207 3.688 3.957 -0.269 1 1 802 . 5 1 1 A 122 122 GLU CA C 207 60.390 59.499 0.891 1 1 803 . 5 1 1 A 122 122 GLU CB C 207 28.448 29.224 -0.776 1 1 805 . 5 1 1 A 122 122 GLU N N 207 118.469 118.112 0.357 1 1 806 . 5 1 1 A 123 123 ARG H H 208 7.344 7.652 -0.308 1 1 807 . 5 1 1 A 123 123 ARG HA H 208 4.163 4.127 0.036 1 1 815 . 5 1 1 A 123 123 ARG CA C 208 58.537 58.703 -0.166 1 1 816 . 5 1 1 A 123 123 ARG CB C 208 29.925 30.149 -0.224 1 1 819 . 5 1 1 A 123 123 ARG N N 208 116.990 121.524 -4.534 1 1 821 . 5 1 1 A 124 124 VAL H H 209 8.299 7.606 0.693 1 1 822 . 5 1 1 A 124 124 VAL HA H 209 3.798 3.643 0.155 1 1 830 . 5 1 1 A 124 124 VAL CA C 209 65.995 66.334 -0.339 1 1 831 . 5 1 1 A 124 124 VAL CB C 209 32.075 31.683 0.392 1 1 834 . 5 1 1 A 124 124 VAL N N 209 119.301 119.529 -0.228 1 1 835 . 5 1 1 A 125 125 VAL H H 210 9.016 7.979 1.037 1 1 836 . 5 1 1 A 125 125 VAL HA H 210 3.643 3.470 0.173 1 1 844 . 5 1 1 A 125 125 VAL CA C 210 66.591 66.612 -0.021 1 1 845 . 5 1 1 A 125 125 VAL CB C 210 31.836 31.394 0.442 1 1 848 . 5 1 1 A 125 125 VAL N N 210 121.312 120.105 1.207 1 1 849 . 5 1 1 A 126 126 GLU H H 211 8.153 7.726 0.427 1 1 850 . 5 1 1 A 126 126 GLU HA H 211 3.622 4.040 -0.418 1 1 855 . 5 1 1 A 126 126 GLU CA C 211 60.997 59.438 1.559 1 1 856 . 5 1 1 A 126 126 GLU CB C 211 28.921 29.358 -0.437 1 1 858 . 5 1 1 A 126 126 GLU N N 211 120.456 119.379 1.077 1 1 859 . 5 1 1 A 127 127 GLN H H 212 7.274 7.919 -0.645 1 1 862 . 5 1 1 A 127 127 GLN CA C 212 58.803 59.076 -0.273 1 1 863 . 5 1 1 A 127 127 GLN N N 212 115.025 119.371 -4.346 1 1 865 . 5 1 1 A 128 128 MET H H 213 8.324 8.421 -0.097 1 1 866 . 5 1 1 A 128 128 MET HA H 213 4.146 4.133 0.013 1 1 872 . 5 1 1 A 128 128 MET CA C 213 59.976 58.594 1.382 1 1 873 . 5 1 1 A 128 128 MET CB C 213 31.911 31.961 -0.050 1 1 875 . 5 1 1 A 128 128 MET N N 213 119.344 118.351 0.993 1 1 876 . 5 1 1 A 129 129 CYS H H 214 9.219 7.988 1.231 1 1 877 . 5 1 1 A 129 129 CYS CA C 214 59.821 63.448 -3.627 1 1 878 . 5 1 1 A 129 129 CYS N N 214 118.992 118.585 0.407 1 1 879 . 5 1 1 A 130 130 ILE H H 215 8.340 7.481 0.859 1 1 880 . 5 1 1 A 130 130 ILE HA H 215 3.563 3.982 -0.419 1 1 890 . 5 1 1 A 130 130 ILE CA C 215 66.751 64.476 2.275 1 1 891 . 5 1 1 A 130 130 ILE CB C 215 37.814 36.591 1.223 1 1 895 . 5 1 1 A 130 130 ILE N N 215 123.750 121.753 1.997 1 1 896 . 5 1 1 A 131 131 THR H H 216 8.142 7.785 0.357 1 1 897 . 5 1 1 A 131 131 THR HA H 216 3.940 3.939 0.001 1 1 902 . 5 1 1 A 131 131 THR CA C 216 66.898 66.988 -0.090 1 1 903 . 5 1 1 A 131 131 THR CB C 216 69.608 68.365 1.243 1 1 905 . 5 1 1 A 131 131 THR N N 216 118.528 118.032 0.496 1 1 906 . 5 1 1 A 132 132 GLN H H 217 8.687 7.572 1.115 1 1 907 . 5 1 1 A 132 132 GLN HA H 217 3.688 3.957 -0.269 1 1 914 . 5 1 1 A 132 132 GLN CA C 217 58.527 58.523 0.004 1 1 915 . 5 1 1 A 132 132 GLN CB C 217 28.353 28.316 0.037 1 1 917 . 5 1 1 A 132 132 GLN N N 217 121.765 118.974 2.791 1 1 919 . 5 1 1 A 133 133 TYR HA H 218 4.532 4.713 -0.181 1 1 926 . 5 1 1 A 133 133 TYR CA C 218 55.867 57.764 -1.897 1 1 927 . 5 1 1 A 133 133 TYR CB C 218 37.912 39.172 -1.260 1 1 930 . 5 1 1 A 134 134 GLU H H 219 8.293 8.970 -0.677 1 1 931 . 5 1 1 A 134 134 GLU HA H 219 3.689 4.138 -0.449 1 1 936 . 5 1 1 A 134 134 GLU CA C 219 59.268 59.304 -0.036 1 1 937 . 5 1 1 A 134 134 GLU CB C 219 28.324 29.224 -0.900 1 1 939 . 5 1 1 A 134 134 GLU N N 219 120.400 124.902 -4.502 1 1 940 . 5 1 1 A 135 135 ARG H H 220 7.887 8.069 -0.182 1 1 941 . 5 1 1 A 135 135 ARG HA H 220 3.981 4.128 -0.147 1 1 949 . 5 1 1 A 135 135 ARG CA C 220 59.266 59.559 -0.293 1 1 950 . 5 1 1 A 135 135 ARG CB C 220 30.337 30.141 0.196 1 1 953 . 5 1 1 A 135 135 ARG N N 220 118.589 119.658 -1.069 1 1 955 . 5 1 1 A 137 137 SER HA H 222 3.954 4.186 -0.232 1 1 958 . 5 1 1 A 137 137 SER CA C 222 60.572 61.578 -1.006 1 1 959 . 5 1 1 A 137 137 SER CB C 222 62.761 63.082 -0.321 1 1 960 . 5 1 1 A 138 138 GLN H H 223 7.624 7.642 -0.018 1 1 961 . 5 1 1 A 138 138 GLN HA H 223 4.153 4.116 0.037 1 1 968 . 5 1 1 A 138 138 GLN CA C 223 57.658 58.780 -1.122 1 1 969 . 5 1 1 A 138 138 GLN CB C 223 28.370 28.800 -0.430 1 1 971 . 5 1 1 A 138 138 GLN N N 223 120.575 120.825 -0.250 1 1 973 . 5 1 1 A 139 139 ALA H H 224 7.627 7.825 -0.198 1 1 974 . 5 1 1 A 139 139 ALA HA H 224 4.156 4.148 0.008 1 1 978 . 5 1 1 A 139 139 ALA CA C 224 54.017 55.042 -1.025 1 1 979 . 5 1 1 A 139 139 ALA CB C 224 18.645 18.387 0.258 1 1 980 . 5 1 1 A 139 139 ALA N N 224 121.263 122.011 -0.748 1 1 981 . 5 1 1 A 140 140 TYR H H 225 8.048 8.220 -0.172 1 1 982 . 5 1 1 A 140 140 TYR HA H 225 4.204 4.263 -0.059 1 1 989 . 5 1 1 A 140 140 TYR CA C 225 59.890 61.602 -1.712 1 1 990 . 5 1 1 A 140 140 TYR CB C 225 38.994 38.604 0.390 1 1 993 . 5 1 1 A 140 140 TYR N N 225 118.980 120.897 -1.917 1 1 994 . 5 1 1 A 141 141 TYR H H 226 7.948 7.582 0.366 1 1 995 . 5 1 1 A 141 141 TYR HA H 226 4.375 4.396 -0.021 1 1 1002 . 5 1 1 A 141 141 TYR CA C 226 59.036 61.149 -2.113 1 1 1003 . 5 1 1 A 141 141 TYR CB C 226 38.060 39.287 -1.227 1 1 1006 . 5 1 1 A 141 141 TYR N N 226 118.596 117.642 0.954 1 1 1007 . 5 1 1 A 142 142 GLN H H 227 7.941 7.623 0.318 1 1 1008 . 5 1 1 A 142 142 GLN HA H 227 4.240 4.201 0.039 1 1 1015 . 5 1 1 A 142 142 GLN CA C 227 56.346 56.675 -0.329 1 1 1016 . 5 1 1 A 142 142 GLN CB C 227 28.912 29.555 -0.643 1 1 1018 . 5 1 1 A 142 142 GLN N N 227 119.883 118.178 1.705 1 1 1020 . 5 1 1 A 143 143 ARG H H 228 7.966 8.595 -0.629 1 1 1021 . 5 1 1 A 143 143 ARG HA H 228 4.244 4.859 -0.615 1 1 1029 . 5 1 1 A 143 143 ARG CA C 228 56.719 54.619 2.100 1 1 1030 . 5 1 1 A 143 143 ARG CB C 228 30.731 33.168 -2.437 1 1 1033 . 5 1 1 A 143 143 ARG N N 228 120.871 123.727 -2.856 1 1 1035 . 5 1 1 A 144 144 GLY H H 229 8.247 8.610 -0.363 1 1 1036 . 5 1 1 A 144 144 GLY HA2 H 229 3.992 3.873 0.119 1 1 1037 . 5 1 1 A 144 144 GLY HA3 H 229 3.992 3.879 0.113 1 1 1038 . 5 1 1 A 144 144 GLY CA C 229 45.359 46.424 -1.065 1 1 1039 . 5 1 1 A 144 144 GLY N N 229 109.072 111.299 -2.227 1 1 1040 . 5 1 1 A 145 145 SER H H 230 8.139 8.169 -0.030 1 1 1041 . 5 1 1 A 145 145 SER HA H 230 4.506 4.405 0.101 1 1 1044 . 5 1 1 A 145 145 SER CA C 230 58.123 59.539 -1.416 1 1 1045 . 5 1 1 A 145 145 SER CB C 230 63.878 63.886 -0.008 1 1 1046 . 5 1 1 A 145 145 SER N N 230 115.684 117.139 -1.455 1 1 16 . 6 1 1 A 41 41 GLY H H 126 8.484 8.574 -0.090 1 1 17 . 6 1 1 A 41 41 GLY HA2 H 126 3.861 4.323 -0.462 1 1 18 . 6 1 1 A 41 41 GLY HA3 H 126 3.920 4.370 -0.450 1 1 19 . 6 1 1 A 41 41 GLY CA C 126 46.260 44.703 1.557 1 1 20 . 6 1 1 A 41 41 GLY N N 126 109.470 107.960 1.510 1 1 21 . 6 1 1 A 42 42 GLY H H 127 8.326 8.751 -0.425 1 1 22 . 6 1 1 A 42 42 GLY HA2 H 127 3.749 4.054 -0.305 1 1 23 . 6 1 1 A 42 42 GLY HA3 H 127 3.900 4.219 -0.319 1 1 24 . 6 1 1 A 42 42 GLY CA C 127 45.226 45.494 -0.268 1 1 25 . 6 1 1 A 42 42 GLY N N 127 109.020 109.428 -0.408 1 1 26 . 6 1 1 A 43 43 TYR H H 128 7.692 7.840 -0.148 1 1 27 . 6 1 1 A 43 43 TYR HA H 128 4.675 4.594 0.081 1 1 34 . 6 1 1 A 43 43 TYR CA C 128 57.271 56.339 0.932 1 1 35 . 6 1 1 A 43 43 TYR CB C 128 40.257 42.627 -2.370 1 1 38 . 6 1 1 A 43 43 TYR N N 128 117.301 118.252 -0.951 1 1 39 . 6 1 1 A 44 44 VAL H H 129 8.974 8.561 0.413 1 1 40 . 6 1 1 A 44 44 VAL HA H 129 4.344 4.281 0.063 1 1 48 . 6 1 1 A 44 44 VAL CA C 129 59.555 63.357 -3.802 1 1 49 . 6 1 1 A 44 44 VAL CB C 129 34.728 32.239 2.489 1 1 52 . 6 1 1 A 44 44 VAL N N 129 118.589 123.262 -4.673 1 1 53 . 6 1 1 A 45 45 LEU H H 130 8.029 8.645 -0.616 1 1 62 . 6 1 1 A 45 45 LEU N N 130 123.350 125.728 -2.378 1 1 63 . 6 1 1 A 46 46 GLY H H 131 9.278 8.217 1.061 1 1 64 . 6 1 1 A 46 46 GLY CA C 131 44.842 46.256 -1.414 1 1 65 . 6 1 1 A 46 46 GLY N N 131 114.623 112.119 2.504 1 1 66 . 6 1 1 A 47 47 SER H H 132 8.315 8.260 0.055 1 1 67 . 6 1 1 A 47 47 SER HA H 132 4.438 4.692 -0.254 1 1 70 . 6 1 1 A 47 47 SER CA C 132 58.520 59.334 -0.814 1 1 71 . 6 1 1 A 47 47 SER CB C 132 64.166 64.945 -0.779 1 1 72 . 6 1 1 A 47 47 SER N N 132 113.038 118.584 -5.546 1 1 73 . 6 1 1 A 48 48 ALA H H 133 8.736 7.577 1.159 1 1 74 . 6 1 1 A 48 48 ALA HA H 133 4.425 4.542 -0.117 1 1 78 . 6 1 1 A 48 48 ALA CA C 133 53.090 51.468 1.622 1 1 79 . 6 1 1 A 48 48 ALA CB C 133 18.465 22.096 -3.631 1 1 80 . 6 1 1 A 48 48 ALA N N 133 125.270 119.498 5.772 1 1 81 . 6 1 1 A 49 49 MET H H 134 8.758 8.795 -0.037 1 1 82 . 6 1 1 A 49 49 MET HA H 134 4.754 5.041 -0.287 1 1 90 . 6 1 1 A 49 49 MET CA C 134 53.972 54.560 -0.588 1 1 91 . 6 1 1 A 49 49 MET CB C 134 37.222 37.098 0.124 1 1 94 . 6 1 1 A 49 49 MET N N 134 120.911 117.477 3.434 1 1 95 . 6 1 1 A 50 50 SER H H 135 8.430 8.760 -0.330 1 1 96 . 6 1 1 A 50 50 SER HA H 135 4.356 4.663 -0.307 1 1 99 . 6 1 1 A 50 50 SER CA C 135 58.630 58.248 0.382 1 1 100 . 6 1 1 A 50 50 SER CB C 135 63.575 64.276 -0.701 1 1 101 . 6 1 1 A 50 50 SER N N 135 116.162 119.792 -3.630 1 1 102 . 6 1 1 A 51 51 ARG H H 136 8.646 8.977 -0.331 1 1 103 . 6 1 1 A 51 51 ARG HA H 136 4.434 4.001 0.433 1 1 111 . 6 1 1 A 51 51 ARG CA C 136 54.863 56.857 -1.994 1 1 112 . 6 1 1 A 51 51 ARG CB C 136 30.519 28.703 1.816 1 1 115 . 6 1 1 A 51 51 ARG N N 136 126.460 124.864 1.596 1 1 117 . 6 1 1 A 52 52 PRO HA H 137 4.413 4.540 -0.127 1 1 124 . 6 1 1 A 52 52 PRO CA C 137 62.198 64.677 -2.479 1 1 125 . 6 1 1 A 52 52 PRO CB C 137 32.165 31.517 0.648 1 1 128 . 6 1 1 A 53 53 ILE H H 138 8.647 7.554 1.093 1 1 129 . 6 1 1 A 53 53 ILE HA H 138 4.160 4.297 -0.137 1 1 139 . 6 1 1 A 53 53 ILE CA C 138 60.851 62.239 -1.388 1 1 140 . 6 1 1 A 53 53 ILE CB C 138 36.101 38.997 -2.896 1 1 144 . 6 1 1 A 53 53 ILE N N 138 122.534 118.616 3.918 1 1 145 . 6 1 1 A 54 54 ILE H H 139 6.485 8.836 -2.351 1 1 146 . 6 1 1 A 54 54 ILE HA H 139 3.926 5.000 -1.074 1 1 156 . 6 1 1 A 54 54 ILE CA C 139 58.665 58.720 -0.055 1 1 157 . 6 1 1 A 54 54 ILE CB C 139 39.251 41.647 -2.396 1 1 161 . 6 1 1 A 54 54 ILE N N 139 126.733 129.307 -2.574 1 1 162 . 6 1 1 A 55 55 HIS H H 140 8.249 8.893 -0.644 1 1 163 . 6 1 1 A 55 55 HIS HA H 140 4.935 4.982 -0.047 1 1 167 . 6 1 1 A 55 55 HIS CA C 140 54.209 55.427 -1.218 1 1 168 . 6 1 1 A 55 55 HIS CB C 140 29.326 30.962 -1.636 1 1 170 . 6 1 1 A 55 55 HIS N N 140 122.048 127.955 -5.907 1 1 171 . 6 1 1 A 56 56 PHE H H 141 10.205 8.874 1.331 1 1 172 . 6 1 1 A 56 56 PHE HA H 141 4.360 4.421 -0.061 1 1 175 . 6 1 1 A 56 56 PHE CA C 141 59.367 59.917 -0.550 1 1 176 . 6 1 1 A 56 56 PHE CB C 141 41.594 40.381 1.213 1 1 177 . 6 1 1 A 56 56 PHE N N 141 124.145 125.586 -1.441 1 1 178 . 6 1 1 A 57 57 GLY H H 142 9.008 7.776 1.232 1 1 179 . 6 1 1 A 57 57 GLY HA2 H 142 3.835 3.938 -0.103 1 1 180 . 6 1 1 A 57 57 GLY HA3 H 142 4.168 4.048 0.120 1 1 181 . 6 1 1 A 57 57 GLY CA C 142 45.777 45.442 0.335 1 1 182 . 6 1 1 A 57 57 GLY N N 142 108.268 106.282 1.986 1 1 183 . 6 1 1 A 58 58 SER H H 143 7.327 7.929 -0.602 1 1 184 . 6 1 1 A 58 58 SER HA H 143 4.820 4.675 0.145 1 1 187 . 6 1 1 A 58 58 SER CA C 143 56.405 57.747 -1.342 1 1 188 . 6 1 1 A 58 58 SER CB C 143 66.034 65.260 0.774 1 1 189 . 6 1 1 A 58 58 SER N N 143 111.827 116.745 -4.918 1 1 190 . 6 1 1 A 59 59 ASP H H 144 9.051 8.897 0.154 1 1 191 . 6 1 1 A 59 59 ASP HA H 144 4.502 4.309 0.193 1 1 194 . 6 1 1 A 59 59 ASP CA C 144 57.676 56.337 1.339 1 1 195 . 6 1 1 A 59 59 ASP CB C 144 40.505 40.425 0.080 1 1 196 . 6 1 1 A 59 59 ASP N N 144 124.541 127.580 -3.039 1 1 197 . 6 1 1 A 60 60 TYR H H 145 8.571 7.552 1.019 1 1 198 . 6 1 1 A 60 60 TYR HA H 145 4.197 4.243 -0.046 1 1 205 . 6 1 1 A 60 60 TYR CA C 145 61.232 61.446 -0.214 1 1 206 . 6 1 1 A 60 60 TYR CB C 145 37.912 37.649 0.263 1 1 209 . 6 1 1 A 60 60 TYR N N 145 118.914 118.495 0.419 1 1 210 . 6 1 1 A 61 61 GLU H H 146 7.737 8.248 -0.511 1 1 211 . 6 1 1 A 61 61 GLU HA H 146 3.590 4.104 -0.514 1 1 216 . 6 1 1 A 61 61 GLU CA C 146 59.607 59.329 0.278 1 1 217 . 6 1 1 A 61 61 GLU CB C 146 30.059 29.206 0.853 1 1 219 . 6 1 1 A 61 61 GLU N N 146 118.985 117.789 1.196 1 1 220 . 6 1 1 A 62 62 ASP H H 147 8.213 8.061 0.152 1 1 221 . 6 1 1 A 62 62 ASP HA H 147 4.666 4.456 0.210 1 1 224 . 6 1 1 A 62 62 ASP CA C 147 58.292 57.746 0.546 1 1 225 . 6 1 1 A 62 62 ASP CB C 147 40.171 41.972 -1.801 1 1 226 . 6 1 1 A 62 62 ASP N N 147 119.785 120.213 -0.428 1 1 227 . 6 1 1 A 63 63 ARG H H 148 8.229 7.666 0.563 1 1 228 . 6 1 1 A 63 63 ARG HA H 148 4.016 4.079 -0.063 1 1 236 . 6 1 1 A 63 63 ARG CA C 148 59.611 59.788 -0.177 1 1 237 . 6 1 1 A 63 63 ARG CB C 148 30.059 30.101 -0.042 1 1 240 . 6 1 1 A 63 63 ARG N N 148 120.339 119.039 1.300 1 1 242 . 6 1 1 A 64 64 TYR H H 149 8.340 8.052 0.288 1 1 243 . 6 1 1 A 64 64 TYR HA H 149 3.829 4.298 -0.469 1 1 250 . 6 1 1 A 64 64 TYR CA C 149 61.991 61.202 0.789 1 1 251 . 6 1 1 A 64 64 TYR CB C 149 38.417 39.152 -0.735 1 1 254 . 6 1 1 A 64 64 TYR N N 149 121.093 120.908 0.185 1 1 255 . 6 1 1 A 65 65 TYR H H 150 8.979 8.677 0.302 1 1 256 . 6 1 1 A 65 65 TYR HA H 150 4.132 4.218 -0.086 1 1 263 . 6 1 1 A 65 65 TYR CA C 150 62.691 61.328 1.363 1 1 264 . 6 1 1 A 65 65 TYR CB C 150 38.025 38.844 -0.819 1 1 267 . 6 1 1 A 65 65 TYR N N 150 120.575 120.140 0.435 1 1 268 . 6 1 1 A 66 66 ARG H H 151 7.997 8.315 -0.318 1 1 269 . 6 1 1 A 66 66 ARG HA H 151 3.925 4.066 -0.141 1 1 277 . 6 1 1 A 66 66 ARG CA C 151 60.050 59.562 0.488 1 1 278 . 6 1 1 A 66 66 ARG CB C 151 29.901 30.103 -0.202 1 1 281 . 6 1 1 A 66 66 ARG N N 151 117.799 118.871 -1.072 1 1 283 . 6 1 1 A 67 67 GLU H H 152 8.076 7.771 0.305 1 1 284 . 6 1 1 A 67 67 GLU HA H 152 4.082 4.150 -0.068 1 1 289 . 6 1 1 A 67 67 GLU CA C 152 58.125 58.198 -0.073 1 1 290 . 6 1 1 A 67 67 GLU CB C 152 29.743 29.714 0.029 1 1 292 . 6 1 1 A 67 67 GLU N N 152 116.601 117.495 -0.894 1 1 293 . 6 1 1 A 68 68 ASN H H 153 7.621 8.043 -0.422 1 1 294 . 6 1 1 A 68 68 ASN HA H 153 4.321 4.551 -0.230 1 1 299 . 6 1 1 A 68 68 ASN CA C 153 54.958 55.483 -0.525 1 1 300 . 6 1 1 A 68 68 ASN CB C 153 41.041 38.030 3.011 1 1 301 . 6 1 1 A 68 68 ASN N N 153 114.623 118.123 -3.500 1 1 303 . 6 1 1 A 69 69 MET H H 154 8.105 8.295 -0.190 1 1 304 . 6 1 1 A 69 69 MET HA H 154 3.458 3.876 -0.418 1 1 312 . 6 1 1 A 69 69 MET CA C 154 59.104 58.104 1.000 1 1 313 . 6 1 1 A 69 69 MET CB C 154 30.533 32.176 -1.643 1 1 316 . 6 1 1 A 69 69 MET N N 154 119.633 117.463 2.170 1 1 317 . 6 1 1 A 70 70 HIS H H 155 8.070 8.128 -0.058 1 1 319 . 6 1 1 A 70 70 HIS CA C 155 57.650 58.802 -1.152 1 1 320 . 6 1 1 A 70 70 HIS CB C 155 27.591 29.693 -2.102 1 1 322 . 6 1 1 A 70 70 HIS N N 155 115.018 117.976 -2.958 1 1 323 . 6 1 1 A 71 71 ARG H H 156 7.618 8.079 -0.461 1 1 325 . 6 1 1 A 71 71 ARG CA C 156 56.278 55.373 0.905 1 1 326 . 6 1 1 A 71 71 ARG CB C 156 30.770 30.486 0.284 1 1 329 . 6 1 1 A 71 71 ARG N N 156 118.197 115.678 2.519 1 1 331 . 6 1 1 A 72 72 TYR H H 157 7.473 8.214 -0.741 1 1 332 . 6 1 1 A 72 72 TYR HA H 157 5.034 4.701 0.333 1 1 339 . 6 1 1 A 72 72 TYR CA C 157 52.768 56.633 -3.865 1 1 340 . 6 1 1 A 72 72 TYR CB C 157 35.150 38.494 -3.344 1 1 343 . 6 1 1 A 72 72 TYR N N 157 120.873 119.274 1.599 1 1 344 . 6 1 1 A 73 73 PRO HA H 158 4.425 4.516 -0.091 1 1 351 . 6 1 1 A 73 73 PRO CA C 158 63.737 62.324 1.413 1 1 352 . 6 1 1 A 73 73 PRO CB C 158 32.071 31.437 0.634 1 1 355 . 6 1 1 A 74 74 ASN H H 159 8.562 8.534 0.028 1 1 356 . 6 1 1 A 74 74 ASN HA H 159 4.708 4.695 0.013 1 1 361 . 6 1 1 A 74 74 ASN CA C 159 51.965 51.834 0.131 1 1 362 . 6 1 1 A 74 74 ASN CB C 159 37.898 38.845 -0.947 1 1 363 . 6 1 1 A 74 74 ASN N N 159 116.213 121.955 -5.742 1 1 365 . 6 1 1 A 75 75 GLN H H 160 7.302 7.575 -0.273 1 1 366 . 6 1 1 A 75 75 GLN HA H 160 4.479 4.747 -0.268 1 1 371 . 6 1 1 A 75 75 GLN CA C 160 54.184 54.701 -0.517 1 1 372 . 6 1 1 A 75 75 GLN CB C 160 34.167 32.488 1.679 1 1 373 . 6 1 1 A 75 75 GLN N N 160 114.122 120.387 -6.265 1 1 375 . 6 1 1 A 76 76 VAL H H 161 8.635 8.745 -0.110 1 1 376 . 6 1 1 A 76 76 VAL HA H 161 4.916 5.032 -0.116 1 1 384 . 6 1 1 A 76 76 VAL CA C 161 58.557 60.027 -1.470 1 1 385 . 6 1 1 A 76 76 VAL CB C 161 33.635 34.449 -0.814 1 1 388 . 6 1 1 A 76 76 VAL N N 161 112.903 117.807 -4.904 1 1 389 . 6 1 1 A 77 77 TYR H H 162 8.554 8.726 -0.172 1 1 390 . 6 1 1 A 77 77 TYR HA H 162 5.440 5.093 0.347 1 1 397 . 6 1 1 A 77 77 TYR CA C 162 57.057 56.772 0.285 1 1 398 . 6 1 1 A 77 77 TYR CB C 162 42.147 42.653 -0.506 1 1 401 . 6 1 1 A 77 77 TYR N N 162 120.972 121.666 -0.694 1 1 402 . 6 1 1 A 78 78 TYR H H 163 8.686 8.921 -0.235 1 1 403 . 6 1 1 A 78 78 TYR HA H 163 4.797 5.734 -0.937 1 1 410 . 6 1 1 A 78 78 TYR CA C 163 55.484 55.339 0.145 1 1 413 . 6 1 1 A 78 78 TYR N N 163 111.059 120.076 -9.017 1 1 429 . 6 1 1 A 86 86 ASN HA H 171 4.733 4.796 -0.063 1 1 434 . 6 1 1 A 86 86 ASN CA C 171 52.388 53.708 -1.320 1 1 435 . 6 1 1 A 86 86 ASN CB C 171 39.935 39.600 0.335 1 1 437 . 6 1 1 A 87 87 GLN H H 172 8.740 8.985 -0.245 1 1 440 . 6 1 1 A 87 87 GLN CA C 172 59.906 59.328 0.578 1 1 441 . 6 1 1 A 87 87 GLN CB C 172 29.065 28.342 0.723 1 1 443 . 6 1 1 A 87 87 GLN N N 172 121.279 123.004 -1.725 1 1 445 . 6 1 1 A 88 88 ASN H H 173 8.427 8.247 0.180 1 1 446 . 6 1 1 A 88 88 ASN HA H 173 4.255 4.581 -0.326 1 1 451 . 6 1 1 A 88 88 ASN CA C 173 56.396 56.603 -0.207 1 1 452 . 6 1 1 A 88 88 ASN CB C 173 37.912 38.147 -0.235 1 1 453 . 6 1 1 A 88 88 ASN N N 173 116.210 118.116 -1.906 1 1 455 . 6 1 1 A 89 89 ASN H H 174 8.542 8.298 0.244 1 1 456 . 6 1 1 A 89 89 ASN HA H 174 4.509 4.547 -0.038 1 1 461 . 6 1 1 A 89 89 ASN CA C 174 56.013 56.551 -0.538 1 1 462 . 6 1 1 A 89 89 ASN CB C 174 38.359 37.964 0.395 1 1 463 . 6 1 1 A 89 89 ASN N N 174 118.573 117.538 1.035 1 1 465 . 6 1 1 A 90 90 PHE H H 175 8.113 8.275 -0.162 1 1 466 . 6 1 1 A 90 90 PHE CA C 175 61.432 61.602 -0.170 1 1 467 . 6 1 1 A 90 90 PHE N N 175 120.437 122.295 -1.858 1 1 468 . 6 1 1 A 91 91 VAL H H 176 9.215 7.933 1.282 1 1 469 . 6 1 1 A 91 91 VAL HA H 176 3.608 3.586 0.022 1 1 477 . 6 1 1 A 91 91 VAL CA C 176 67.888 66.212 1.676 1 1 478 . 6 1 1 A 91 91 VAL CB C 176 32.042 31.596 0.446 1 1 480 . 6 1 1 A 91 91 VAL N N 176 120.071 119.120 0.951 1 1 481 . 6 1 1 A 92 92 HIS H H 177 8.497 7.800 0.697 1 1 482 . 6 1 1 A 92 92 HIS HA H 177 4.353 4.352 0.001 1 1 485 . 6 1 1 A 92 92 HIS CA C 177 59.251 59.418 -0.167 1 1 486 . 6 1 1 A 92 92 HIS CB C 177 28.104 29.542 -1.438 1 1 487 . 6 1 1 A 92 92 HIS N N 177 117.399 118.009 -0.610 1 1 488 . 6 1 1 A 93 93 ASN H H 178 7.860 8.633 -0.773 1 1 489 . 6 1 1 A 93 93 ASN HA H 178 4.521 4.381 0.140 1 1 494 . 6 1 1 A 93 93 ASN CA C 178 56.244 56.637 -0.393 1 1 495 . 6 1 1 A 93 93 ASN CB C 178 37.934 38.657 -0.723 1 1 496 . 6 1 1 A 93 93 ASN N N 178 116.474 118.265 -1.791 1 1 498 . 6 1 1 A 94 94 CYS H H 179 8.133 7.980 0.153 1 1 499 . 6 1 1 A 94 94 CYS CA C 179 58.595 63.475 -4.880 1 1 500 . 6 1 1 A 94 94 CYS CB C 179 40.911 26.914 13.997 1 1 501 . 6 1 1 A 94 94 CYS N N 179 120.418 118.775 1.643 1 1 502 . 6 1 1 A 95 95 VAL H H 180 9.280 7.375 1.905 1 1 503 . 6 1 1 A 95 95 VAL HA H 180 3.654 3.603 0.051 1 1 511 . 6 1 1 A 95 95 VAL CA C 180 66.400 66.838 -0.438 1 1 512 . 6 1 1 A 95 95 VAL CB C 180 31.912 31.385 0.527 1 1 515 . 6 1 1 A 95 95 VAL N N 180 125.212 122.576 2.636 1 1 516 . 6 1 1 A 96 96 ASN H H 181 7.696 8.155 -0.459 1 1 517 . 6 1 1 A 96 96 ASN HA H 181 4.321 4.476 -0.155 1 1 522 . 6 1 1 A 96 96 ASN CA C 181 56.419 56.710 -0.291 1 1 523 . 6 1 1 A 96 96 ASN CB C 181 38.654 38.675 -0.021 1 1 524 . 6 1 1 A 96 96 ASN N N 181 115.816 118.643 -2.827 1 1 526 . 6 1 1 A 97 97 ILE H H 182 8.385 7.308 1.077 1 1 527 . 6 1 1 A 97 97 ILE HA H 182 3.726 3.718 0.008 1 1 537 . 6 1 1 A 97 97 ILE CA C 182 62.446 65.315 -2.869 1 1 538 . 6 1 1 A 97 97 ILE CB C 182 36.464 37.562 -1.098 1 1 542 . 6 1 1 A 97 97 ILE N N 182 118.191 119.623 -1.432 1 1 543 . 6 1 1 A 98 98 THR H H 183 8.157 7.678 0.479 1 1 544 . 6 1 1 A 98 98 THR HA H 183 4.078 4.017 0.061 1 1 549 . 6 1 1 A 98 98 THR CA C 183 68.807 66.969 1.838 1 1 550 . 6 1 1 A 98 98 THR CB C 183 68.239 68.917 -0.678 1 1 552 . 6 1 1 A 98 98 THR N N 183 117.797 117.468 0.329 1 1 553 . 6 1 1 A 99 99 ILE H H 184 8.528 7.624 0.904 1 1 554 . 6 1 1 A 99 99 ILE HA H 184 3.727 3.629 0.098 1 1 564 . 6 1 1 A 99 99 ILE CA C 184 65.621 65.098 0.523 1 1 565 . 6 1 1 A 99 99 ILE CB C 184 36.531 37.271 -0.740 1 1 569 . 6 1 1 A 99 99 ILE N N 184 120.576 121.185 -0.609 1 1 570 . 6 1 1 A 100 100 LYS H H 185 7.953 7.992 -0.039 1 1 571 . 6 1 1 A 100 100 LYS HA H 185 4.068 3.904 0.164 1 1 580 . 6 1 1 A 100 100 LYS CA C 185 59.636 59.790 -0.154 1 1 581 . 6 1 1 A 100 100 LYS CB C 185 31.989 32.557 -0.568 1 1 585 . 6 1 1 A 100 100 LYS N N 185 122.562 121.470 1.092 1 1 586 . 6 1 1 A 101 101 GLN H H 186 8.376 7.846 0.530 1 1 589 . 6 1 1 A 101 101 GLN CA C 186 57.741 58.823 -1.082 1 1 590 . 6 1 1 A 101 101 GLN N N 186 116.213 117.964 -1.751 1 1 592 . 6 1 1 A 102 102 HIS H H 187 8.199 7.967 0.232 1 1 593 . 6 1 1 A 102 102 HIS HA H 187 4.593 4.287 0.306 1 1 596 . 6 1 1 A 102 102 HIS CA C 187 59.062 59.106 -0.044 1 1 597 . 6 1 1 A 102 102 HIS CB C 187 30.384 30.596 -0.212 1 1 598 . 6 1 1 A 102 102 HIS N N 187 118.199 120.495 -2.296 1 1 599 . 6 1 1 A 103 103 THR H H 188 8.245 8.168 0.077 1 1 600 . 6 1 1 A 103 103 THR HA H 188 4.184 4.182 0.002 1 1 605 . 6 1 1 A 103 103 THR CA C 188 65.017 65.664 -0.647 1 1 606 . 6 1 1 A 103 103 THR CB C 188 69.167 68.261 0.906 1 1 608 . 6 1 1 A 103 103 THR N N 188 113.748 112.722 1.026 1 1 609 . 6 1 1 A 104 104 VAL H H 189 8.013 7.891 0.122 1 1 610 . 6 1 1 A 104 104 VAL HA H 189 4.004 3.588 0.416 1 1 618 . 6 1 1 A 104 104 VAL CA C 189 65.151 66.965 -1.814 1 1 619 . 6 1 1 A 104 104 VAL CB C 189 31.743 31.742 0.001 1 1 622 . 6 1 1 A 104 104 VAL N N 189 122.142 122.430 -0.288 1 1 623 . 6 1 1 A 105 105 THR H H 190 8.092 7.562 0.530 1 1 624 . 6 1 1 A 105 105 THR HA H 190 4.250 3.924 0.326 1 1 629 . 6 1 1 A 105 105 THR CA C 190 64.314 65.804 -1.490 1 1 630 . 6 1 1 A 105 105 THR CB C 190 69.159 68.272 0.887 1 1 632 . 6 1 1 A 105 105 THR N N 190 115.022 115.963 -0.941 1 1 633 . 6 1 1 A 106 106 THR H H 191 8.017 7.713 0.304 1 1 634 . 6 1 1 A 106 106 THR HA H 191 4.214 3.967 0.247 1 1 639 . 6 1 1 A 106 106 THR CA C 191 63.874 65.734 -1.860 1 1 640 . 6 1 1 A 106 106 THR CB C 191 69.009 68.466 0.543 1 1 642 . 6 1 1 A 106 106 THR N N 191 114.622 116.644 -2.022 1 1 643 . 6 1 1 A 107 107 THR H H 192 8.194 7.750 0.444 1 1 644 . 6 1 1 A 107 107 THR CA C 192 64.201 65.990 -1.789 1 1 645 . 6 1 1 A 107 107 THR CB C 192 69.159 68.412 0.747 1 1 647 . 6 1 1 A 107 107 THR N N 192 116.611 117.218 -0.607 1 1 648 . 6 1 1 A 108 108 THR H H 193 7.932 8.247 -0.315 1 1 649 . 6 1 1 A 108 108 THR CA C 193 63.871 67.386 -3.515 1 1 650 . 6 1 1 A 108 108 THR CB C 193 69.002 68.401 0.601 1 1 652 . 6 1 1 A 108 108 THR N N 193 116.096 117.526 -1.430 1 1 653 . 6 1 1 A 109 109 LYS H H 194 7.821 7.713 0.108 1 1 654 . 6 1 1 A 109 109 LYS HA H 194 4.364 4.418 -0.054 1 1 663 . 6 1 1 A 109 109 LYS CA C 194 56.285 56.991 -0.706 1 1 664 . 6 1 1 A 109 109 LYS CB C 194 32.636 33.212 -0.576 1 1 668 . 6 1 1 A 109 109 LYS N N 194 120.975 119.558 1.417 1 1 669 . 6 1 1 A 110 110 GLY H H 195 8.109 8.299 -0.190 1 1 670 . 6 1 1 A 110 110 GLY HA2 H 195 3.858 3.930 -0.072 1 1 671 . 6 1 1 A 110 110 GLY HA3 H 195 4.083 3.933 0.150 1 1 672 . 6 1 1 A 110 110 GLY CA C 195 45.511 46.503 -0.992 1 1 673 . 6 1 1 A 110 110 GLY N N 195 108.675 108.529 0.146 1 1 674 . 6 1 1 A 111 111 GLU H H 196 7.706 7.574 0.132 1 1 675 . 6 1 1 A 111 111 GLU HA H 196 4.258 4.893 -0.635 1 1 680 . 6 1 1 A 111 111 GLU CA C 196 55.837 54.396 1.441 1 1 681 . 6 1 1 A 111 111 GLU CB C 196 30.673 33.295 -2.622 1 1 683 . 6 1 1 A 111 111 GLU N N 196 120.028 118.937 1.091 1 1 684 . 6 1 1 A 112 112 ASN H H 197 8.460 8.756 -0.296 1 1 685 . 6 1 1 A 112 112 ASN HA H 197 4.668 5.579 -0.911 1 1 690 . 6 1 1 A 112 112 ASN CA C 197 52.923 51.576 1.347 1 1 691 . 6 1 1 A 112 112 ASN CB C 197 40.491 41.279 -0.788 1 1 692 . 6 1 1 A 112 112 ASN N N 197 119.716 116.788 2.928 1 1 694 . 6 1 1 A 113 113 PHE H H 198 8.655 8.282 0.373 1 1 695 . 6 1 1 A 113 113 PHE HA H 198 5.262 5.725 -0.463 1 1 698 . 6 1 1 A 113 113 PHE CA C 198 56.640 55.334 1.306 1 1 699 . 6 1 1 A 113 113 PHE CB C 198 39.899 42.179 -2.280 1 1 700 . 6 1 1 A 113 113 PHE N N 198 122.046 116.519 5.527 1 1 701 . 6 1 1 A 114 114 THR H H 199 9.506 8.932 0.574 1 1 702 . 6 1 1 A 114 114 THR HA H 199 4.625 4.731 -0.106 1 1 707 . 6 1 1 A 114 114 THR CA C 199 60.305 60.451 -0.146 1 1 708 . 6 1 1 A 114 114 THR CB C 199 72.033 71.417 0.616 1 1 710 . 6 1 1 A 114 114 THR N N 199 116.124 113.994 2.130 1 1 711 . 6 1 1 A 115 115 GLU H H 200 9.120 9.054 0.066 1 1 712 . 6 1 1 A 115 115 GLU HA H 200 4.051 4.176 -0.125 1 1 717 . 6 1 1 A 115 115 GLU CA C 200 59.877 59.189 0.688 1 1 718 . 6 1 1 A 115 115 GLU CB C 200 28.787 29.167 -0.380 1 1 720 . 6 1 1 A 115 115 GLU N N 200 119.993 120.698 -0.705 1 1 721 . 6 1 1 A 116 116 THR H H 201 7.955 7.737 0.218 1 1 722 . 6 1 1 A 116 116 THR HA H 201 3.794 3.969 -0.175 1 1 727 . 6 1 1 A 116 116 THR CA C 201 66.734 66.655 0.079 1 1 728 . 6 1 1 A 116 116 THR CB C 201 68.624 68.875 -0.251 1 1 730 . 6 1 1 A 116 116 THR N N 201 116.160 117.170 -1.010 1 1 731 . 6 1 1 A 117 117 ASP H H 202 7.505 8.108 -0.603 1 1 732 . 6 1 1 A 117 117 ASP HA H 202 4.577 4.414 0.163 1 1 735 . 6 1 1 A 117 117 ASP CA C 202 58.057 57.605 0.452 1 1 736 . 6 1 1 A 117 117 ASP CB C 202 41.747 41.516 0.231 1 1 737 . 6 1 1 A 117 117 ASP N N 202 120.175 121.427 -1.252 1 1 738 . 6 1 1 A 118 118 VAL H H 203 8.236 8.499 -0.263 1 1 739 . 6 1 1 A 118 118 VAL HA H 203 3.324 3.872 -0.548 1 1 747 . 6 1 1 A 118 118 VAL CA C 203 67.799 65.232 2.567 1 1 748 . 6 1 1 A 118 118 VAL CB C 203 31.269 30.982 0.287 1 1 751 . 6 1 1 A 118 118 VAL N N 203 119.654 118.561 1.093 1 1 752 . 6 1 1 A 119 119 LYS H H 204 7.740 7.900 -0.160 1 1 753 . 6 1 1 A 119 119 LYS HA H 204 4.090 4.100 -0.010 1 1 762 . 6 1 1 A 119 119 LYS CA C 204 59.368 59.511 -0.143 1 1 763 . 6 1 1 A 119 119 LYS CB C 204 32.165 31.975 0.190 1 1 767 . 6 1 1 A 119 119 LYS N N 204 119.288 122.150 -2.862 1 1 768 . 6 1 1 A 120 120 MET H H 205 8.235 8.212 0.023 1 1 769 . 6 1 1 A 120 120 MET HA H 205 4.158 4.420 -0.262 1 1 777 . 6 1 1 A 120 120 MET CA C 205 59.819 58.828 0.991 1 1 778 . 6 1 1 A 120 120 MET CB C 205 33.078 32.502 0.576 1 1 781 . 6 1 1 A 120 120 MET N N 205 118.767 119.384 -0.617 1 1 782 . 6 1 1 A 121 121 MET H H 206 8.755 7.996 0.759 1 1 783 . 6 1 1 A 121 121 MET HA H 206 3.580 4.319 -0.739 1 1 791 . 6 1 1 A 121 121 MET CA C 206 59.639 58.735 0.904 1 1 792 . 6 1 1 A 121 121 MET CB C 206 32.777 33.438 -0.661 1 1 795 . 6 1 1 A 121 121 MET N N 206 118.428 118.857 -0.429 1 1 796 . 6 1 1 A 122 122 GLU H H 207 8.419 8.170 0.249 1 1 797 . 6 1 1 A 122 122 GLU HA H 207 3.688 4.007 -0.319 1 1 802 . 6 1 1 A 122 122 GLU CA C 207 60.390 59.592 0.798 1 1 803 . 6 1 1 A 122 122 GLU CB C 207 28.448 29.336 -0.888 1 1 805 . 6 1 1 A 122 122 GLU N N 207 118.469 118.823 -0.354 1 1 806 . 6 1 1 A 123 123 ARG H H 208 7.344 7.911 -0.567 1 1 807 . 6 1 1 A 123 123 ARG HA H 208 4.163 4.052 0.111 1 1 815 . 6 1 1 A 123 123 ARG CA C 208 58.537 58.924 -0.387 1 1 816 . 6 1 1 A 123 123 ARG CB C 208 29.925 29.822 0.103 1 1 819 . 6 1 1 A 123 123 ARG N N 208 116.990 121.089 -4.099 1 1 821 . 6 1 1 A 124 124 VAL H H 209 8.299 7.755 0.544 1 1 822 . 6 1 1 A 124 124 VAL HA H 209 3.798 3.734 0.064 1 1 830 . 6 1 1 A 124 124 VAL CA C 209 65.995 65.549 0.446 1 1 831 . 6 1 1 A 124 124 VAL CB C 209 32.075 32.142 -0.067 1 1 834 . 6 1 1 A 124 124 VAL N N 209 119.301 119.682 -0.381 1 1 835 . 6 1 1 A 125 125 VAL H H 210 9.016 8.179 0.837 1 1 836 . 6 1 1 A 125 125 VAL HA H 210 3.643 3.489 0.154 1 1 844 . 6 1 1 A 125 125 VAL CA C 210 66.591 66.573 0.018 1 1 845 . 6 1 1 A 125 125 VAL CB C 210 31.836 31.620 0.216 1 1 848 . 6 1 1 A 125 125 VAL N N 210 121.312 120.576 0.736 1 1 849 . 6 1 1 A 126 126 GLU H H 211 8.153 7.894 0.259 1 1 850 . 6 1 1 A 126 126 GLU HA H 211 3.622 3.933 -0.311 1 1 855 . 6 1 1 A 126 126 GLU CA C 211 60.997 59.291 1.706 1 1 856 . 6 1 1 A 126 126 GLU CB C 211 28.921 29.317 -0.396 1 1 858 . 6 1 1 A 126 126 GLU N N 211 120.456 119.498 0.958 1 1 859 . 6 1 1 A 127 127 GLN H H 212 7.274 7.534 -0.260 1 1 862 . 6 1 1 A 127 127 GLN CA C 212 58.803 58.769 0.034 1 1 863 . 6 1 1 A 127 127 GLN N N 212 115.025 118.977 -3.952 1 1 865 . 6 1 1 A 128 128 MET H H 213 8.324 8.010 0.314 1 1 866 . 6 1 1 A 128 128 MET HA H 213 4.146 4.175 -0.029 1 1 872 . 6 1 1 A 128 128 MET CA C 213 59.976 58.256 1.720 1 1 873 . 6 1 1 A 128 128 MET CB C 213 31.911 32.941 -1.030 1 1 875 . 6 1 1 A 128 128 MET N N 213 119.344 117.529 1.815 1 1 876 . 6 1 1 A 129 129 CYS H H 214 9.219 7.871 1.348 1 1 877 . 6 1 1 A 129 129 CYS CA C 214 59.821 62.359 -2.538 1 1 878 . 6 1 1 A 129 129 CYS N N 214 118.992 119.129 -0.137 1 1 879 . 6 1 1 A 130 130 ILE H H 215 8.340 7.407 0.933 1 1 880 . 6 1 1 A 130 130 ILE HA H 215 3.563 3.796 -0.233 1 1 890 . 6 1 1 A 130 130 ILE CA C 215 66.751 64.048 2.703 1 1 891 . 6 1 1 A 130 130 ILE CB C 215 37.814 36.258 1.556 1 1 895 . 6 1 1 A 130 130 ILE N N 215 123.750 121.184 2.566 1 1 896 . 6 1 1 A 131 131 THR H H 216 8.142 7.691 0.451 1 1 897 . 6 1 1 A 131 131 THR HA H 216 3.940 3.866 0.074 1 1 902 . 6 1 1 A 131 131 THR CA C 216 66.898 66.918 -0.020 1 1 903 . 6 1 1 A 131 131 THR CB C 216 69.608 68.197 1.411 1 1 905 . 6 1 1 A 131 131 THR N N 216 118.528 117.932 0.596 1 1 906 . 6 1 1 A 132 132 GLN H H 217 8.687 7.502 1.185 1 1 907 . 6 1 1 A 132 132 GLN HA H 217 3.688 3.897 -0.209 1 1 914 . 6 1 1 A 132 132 GLN CA C 217 58.527 58.444 0.083 1 1 915 . 6 1 1 A 132 132 GLN CB C 217 28.353 27.853 0.500 1 1 917 . 6 1 1 A 132 132 GLN N N 217 121.765 120.719 1.046 1 1 919 . 6 1 1 A 133 133 TYR HA H 218 4.532 4.840 -0.308 1 1 926 . 6 1 1 A 133 133 TYR CA C 218 55.867 56.819 -0.952 1 1 927 . 6 1 1 A 133 133 TYR CB C 218 37.912 38.529 -0.617 1 1 930 . 6 1 1 A 134 134 GLU H H 219 8.293 8.950 -0.657 1 1 931 . 6 1 1 A 134 134 GLU HA H 219 3.689 4.118 -0.429 1 1 936 . 6 1 1 A 134 134 GLU CA C 219 59.268 59.261 0.007 1 1 937 . 6 1 1 A 134 134 GLU CB C 219 28.324 29.144 -0.820 1 1 939 . 6 1 1 A 134 134 GLU N N 219 120.400 124.618 -4.218 1 1 940 . 6 1 1 A 135 135 ARG H H 220 7.887 8.089 -0.202 1 1 941 . 6 1 1 A 135 135 ARG HA H 220 3.981 4.037 -0.056 1 1 949 . 6 1 1 A 135 135 ARG CA C 220 59.266 59.572 -0.306 1 1 950 . 6 1 1 A 135 135 ARG CB C 220 30.337 29.827 0.510 1 1 953 . 6 1 1 A 135 135 ARG N N 220 118.589 120.182 -1.593 1 1 955 . 6 1 1 A 137 137 SER HA H 222 3.954 4.279 -0.325 1 1 958 . 6 1 1 A 137 137 SER CA C 222 60.572 61.370 -0.798 1 1 959 . 6 1 1 A 137 137 SER CB C 222 62.761 63.286 -0.525 1 1 960 . 6 1 1 A 138 138 GLN H H 223 7.624 7.992 -0.368 1 1 961 . 6 1 1 A 138 138 GLN HA H 223 4.153 4.185 -0.032 1 1 968 . 6 1 1 A 138 138 GLN CA C 223 57.658 58.549 -0.891 1 1 969 . 6 1 1 A 138 138 GLN CB C 223 28.370 28.418 -0.048 1 1 971 . 6 1 1 A 138 138 GLN N N 223 120.575 121.281 -0.706 1 1 973 . 6 1 1 A 139 139 ALA H H 224 7.627 7.733 -0.106 1 1 974 . 6 1 1 A 139 139 ALA HA H 224 4.156 4.162 -0.006 1 1 978 . 6 1 1 A 139 139 ALA CA C 224 54.017 55.043 -1.026 1 1 979 . 6 1 1 A 139 139 ALA CB C 224 18.645 18.464 0.181 1 1 980 . 6 1 1 A 139 139 ALA N N 224 121.263 121.644 -0.381 1 1 981 . 6 1 1 A 140 140 TYR H H 225 8.048 7.495 0.553 1 1 982 . 6 1 1 A 140 140 TYR HA H 225 4.204 4.303 -0.099 1 1 989 . 6 1 1 A 140 140 TYR CA C 225 59.890 61.542 -1.652 1 1 990 . 6 1 1 A 140 140 TYR CB C 225 38.994 38.416 0.578 1 1 993 . 6 1 1 A 140 140 TYR N N 225 118.980 117.731 1.249 1 1 994 . 6 1 1 A 141 141 TYR H H 226 7.948 8.444 -0.496 1 1 995 . 6 1 1 A 141 141 TYR HA H 226 4.375 4.302 0.073 1 1 1002 . 6 1 1 A 141 141 TYR CA C 226 59.036 61.745 -2.709 1 1 1003 . 6 1 1 A 141 141 TYR CB C 226 38.060 38.522 -0.462 1 1 1006 . 6 1 1 A 141 141 TYR N N 226 118.596 118.693 -0.097 1 1 1007 . 6 1 1 A 142 142 GLN H H 227 7.941 7.678 0.263 1 1 1008 . 6 1 1 A 142 142 GLN HA H 227 4.240 4.489 -0.249 1 1 1015 . 6 1 1 A 142 142 GLN CA C 227 56.346 55.900 0.446 1 1 1016 . 6 1 1 A 142 142 GLN CB C 227 28.912 30.328 -1.416 1 1 1018 . 6 1 1 A 142 142 GLN N N 227 119.883 117.591 2.292 1 1 1020 . 6 1 1 A 143 143 ARG H H 228 7.966 8.998 -1.032 1 1 1021 . 6 1 1 A 143 143 ARG HA H 228 4.244 5.222 -0.978 1 1 1029 . 6 1 1 A 143 143 ARG CA C 228 56.719 54.418 2.301 1 1 1030 . 6 1 1 A 143 143 ARG CB C 228 30.731 34.693 -3.962 1 1 1033 . 6 1 1 A 143 143 ARG N N 228 120.871 118.858 2.013 1 1 1035 . 6 1 1 A 144 144 GLY H H 229 8.247 8.337 -0.090 1 1 1036 . 6 1 1 A 144 144 GLY HA2 H 229 3.992 4.236 -0.244 1 1 1037 . 6 1 1 A 144 144 GLY HA3 H 229 3.992 4.236 -0.244 1 1 1038 . 6 1 1 A 144 144 GLY CA C 229 45.359 45.882 -0.523 1 1 1039 . 6 1 1 A 144 144 GLY N N 229 109.072 106.677 2.395 1 1 1040 . 6 1 1 A 145 145 SER H H 230 8.139 8.791 -0.652 1 1 1041 . 6 1 1 A 145 145 SER HA H 230 4.506 4.251 0.255 1 1 1044 . 6 1 1 A 145 145 SER CA C 230 58.123 60.917 -2.794 1 1 1045 . 6 1 1 A 145 145 SER CB C 230 63.878 61.881 1.997 1 1 1046 . 6 1 1 A 145 145 SER N N 230 115.684 115.809 -0.125 1 1 16 . 7 1 1 A 41 41 GLY H H 126 8.484 8.332 0.152 1 1 17 . 7 1 1 A 41 41 GLY HA2 H 126 3.861 3.879 -0.018 1 1 18 . 7 1 1 A 41 41 GLY HA3 H 126 3.920 3.953 -0.033 1 1 19 . 7 1 1 A 41 41 GLY CA C 126 46.260 45.371 0.889 1 1 20 . 7 1 1 A 41 41 GLY N N 126 109.470 108.545 0.925 1 1 21 . 7 1 1 A 42 42 GLY H H 127 8.326 7.593 0.733 1 1 22 . 7 1 1 A 42 42 GLY HA2 H 127 3.749 3.924 -0.175 1 1 23 . 7 1 1 A 42 42 GLY HA3 H 127 3.900 3.996 -0.096 1 1 24 . 7 1 1 A 42 42 GLY CA C 127 45.226 45.313 -0.087 1 1 25 . 7 1 1 A 42 42 GLY N N 127 109.020 107.148 1.872 1 1 26 . 7 1 1 A 43 43 TYR H H 128 7.692 7.673 0.019 1 1 27 . 7 1 1 A 43 43 TYR HA H 128 4.675 4.637 0.038 1 1 34 . 7 1 1 A 43 43 TYR CA C 128 57.271 57.786 -0.515 1 1 35 . 7 1 1 A 43 43 TYR CB C 128 40.257 41.345 -1.088 1 1 38 . 7 1 1 A 43 43 TYR N N 128 117.301 118.941 -1.640 1 1 39 . 7 1 1 A 44 44 VAL H H 129 8.974 8.443 0.531 1 1 40 . 7 1 1 A 44 44 VAL HA H 129 4.344 4.769 -0.425 1 1 48 . 7 1 1 A 44 44 VAL CA C 129 59.555 59.807 -0.252 1 1 49 . 7 1 1 A 44 44 VAL CB C 129 34.728 33.972 0.756 1 1 52 . 7 1 1 A 44 44 VAL N N 129 118.589 120.764 -2.175 1 1 53 . 7 1 1 A 45 45 LEU H H 130 8.029 8.888 -0.859 1 1 62 . 7 1 1 A 45 45 LEU N N 130 123.350 127.457 -4.107 1 1 63 . 7 1 1 A 46 46 GLY H H 131 9.278 8.218 1.060 1 1 64 . 7 1 1 A 46 46 GLY CA C 131 44.842 46.185 -1.343 1 1 65 . 7 1 1 A 46 46 GLY N N 131 114.623 111.535 3.088 1 1 66 . 7 1 1 A 47 47 SER H H 132 8.315 8.801 -0.486 1 1 67 . 7 1 1 A 47 47 SER HA H 132 4.438 5.434 -0.996 1 1 70 . 7 1 1 A 47 47 SER CA C 132 58.520 56.385 2.135 1 1 71 . 7 1 1 A 47 47 SER CB C 132 64.166 66.865 -2.699 1 1 72 . 7 1 1 A 47 47 SER N N 132 113.038 116.505 -3.467 1 1 73 . 7 1 1 A 48 48 ALA H H 133 8.736 8.364 0.372 1 1 74 . 7 1 1 A 48 48 ALA HA H 133 4.425 4.350 0.075 1 1 78 . 7 1 1 A 48 48 ALA CA C 133 53.090 51.869 1.221 1 1 79 . 7 1 1 A 48 48 ALA CB C 133 18.465 20.050 -1.585 1 1 80 . 7 1 1 A 48 48 ALA N N 133 125.270 123.920 1.350 1 1 81 . 7 1 1 A 49 49 MET H H 134 8.758 8.506 0.252 1 1 82 . 7 1 1 A 49 49 MET HA H 134 4.754 5.198 -0.444 1 1 90 . 7 1 1 A 49 49 MET CA C 134 53.972 54.257 -0.285 1 1 91 . 7 1 1 A 49 49 MET CB C 134 37.222 36.279 0.943 1 1 94 . 7 1 1 A 49 49 MET N N 134 120.911 117.261 3.650 1 1 95 . 7 1 1 A 50 50 SER H H 135 8.430 8.685 -0.255 1 1 96 . 7 1 1 A 50 50 SER HA H 135 4.356 4.746 -0.390 1 1 99 . 7 1 1 A 50 50 SER CA C 135 58.630 57.850 0.780 1 1 100 . 7 1 1 A 50 50 SER CB C 135 63.575 64.118 -0.543 1 1 101 . 7 1 1 A 50 50 SER N N 135 116.162 115.192 0.970 1 1 102 . 7 1 1 A 51 51 ARG H H 136 8.646 8.832 -0.186 1 1 103 . 7 1 1 A 51 51 ARG HA H 136 4.434 3.844 0.590 1 1 111 . 7 1 1 A 51 51 ARG CA C 136 54.863 56.536 -1.673 1 1 112 . 7 1 1 A 51 51 ARG CB C 136 30.519 28.436 2.083 1 1 115 . 7 1 1 A 51 51 ARG N N 136 126.460 117.334 9.126 1 1 117 . 7 1 1 A 52 52 PRO HA H 137 4.413 4.452 -0.039 1 1 124 . 7 1 1 A 52 52 PRO CA C 137 62.198 64.359 -2.161 1 1 125 . 7 1 1 A 52 52 PRO CB C 137 32.165 31.464 0.701 1 1 128 . 7 1 1 A 53 53 ILE H H 138 8.647 7.503 1.144 1 1 129 . 7 1 1 A 53 53 ILE HA H 138 4.160 3.989 0.171 1 1 139 . 7 1 1 A 53 53 ILE CA C 138 60.851 61.109 -0.258 1 1 140 . 7 1 1 A 53 53 ILE CB C 138 36.101 37.292 -1.191 1 1 144 . 7 1 1 A 53 53 ILE N N 138 122.534 117.856 4.678 1 1 145 . 7 1 1 A 54 54 ILE H H 139 6.485 8.544 -2.059 1 1 146 . 7 1 1 A 54 54 ILE HA H 139 3.926 4.499 -0.573 1 1 156 . 7 1 1 A 54 54 ILE CA C 139 58.665 59.593 -0.928 1 1 157 . 7 1 1 A 54 54 ILE CB C 139 39.251 40.064 -0.813 1 1 161 . 7 1 1 A 54 54 ILE N N 139 126.733 128.949 -2.216 1 1 162 . 7 1 1 A 55 55 HIS H H 140 8.249 8.469 -0.220 1 1 163 . 7 1 1 A 55 55 HIS HA H 140 4.935 4.233 0.702 1 1 167 . 7 1 1 A 55 55 HIS CA C 140 54.209 56.322 -2.113 1 1 168 . 7 1 1 A 55 55 HIS CB C 140 29.326 30.562 -1.236 1 1 170 . 7 1 1 A 55 55 HIS N N 140 122.048 127.594 -5.546 1 1 171 . 7 1 1 A 56 56 PHE H H 141 10.205 8.306 1.899 1 1 172 . 7 1 1 A 56 56 PHE HA H 141 4.360 3.880 0.480 1 1 175 . 7 1 1 A 56 56 PHE CA C 141 59.367 60.789 -1.422 1 1 176 . 7 1 1 A 56 56 PHE CB C 141 41.594 39.275 2.319 1 1 177 . 7 1 1 A 56 56 PHE N N 141 124.145 125.649 -1.504 1 1 178 . 7 1 1 A 57 57 GLY H H 142 9.008 8.112 0.896 1 1 179 . 7 1 1 A 57 57 GLY HA2 H 142 3.835 3.877 -0.042 1 1 180 . 7 1 1 A 57 57 GLY HA3 H 142 4.168 3.963 0.205 1 1 181 . 7 1 1 A 57 57 GLY CA C 142 45.777 45.285 0.492 1 1 182 . 7 1 1 A 57 57 GLY N N 142 108.268 107.044 1.224 1 1 183 . 7 1 1 A 58 58 SER H H 143 7.327 7.801 -0.474 1 1 184 . 7 1 1 A 58 58 SER HA H 143 4.820 4.926 -0.106 1 1 187 . 7 1 1 A 58 58 SER CA C 143 56.405 57.361 -0.956 1 1 188 . 7 1 1 A 58 58 SER CB C 143 66.034 66.821 -0.787 1 1 189 . 7 1 1 A 58 58 SER N N 143 111.827 114.944 -3.117 1 1 190 . 7 1 1 A 59 59 ASP H H 144 9.051 9.084 -0.033 1 1 191 . 7 1 1 A 59 59 ASP HA H 144 4.502 4.135 0.367 1 1 194 . 7 1 1 A 59 59 ASP CA C 144 57.676 57.334 0.342 1 1 195 . 7 1 1 A 59 59 ASP CB C 144 40.505 40.323 0.182 1 1 196 . 7 1 1 A 59 59 ASP N N 144 124.541 125.758 -1.217 1 1 197 . 7 1 1 A 60 60 TYR H H 145 8.571 7.706 0.865 1 1 198 . 7 1 1 A 60 60 TYR HA H 145 4.197 4.277 -0.080 1 1 205 . 7 1 1 A 60 60 TYR CA C 145 61.232 61.627 -0.395 1 1 206 . 7 1 1 A 60 60 TYR CB C 145 37.912 37.782 0.130 1 1 209 . 7 1 1 A 60 60 TYR N N 145 118.914 119.252 -0.338 1 1 210 . 7 1 1 A 61 61 GLU H H 146 7.737 8.457 -0.720 1 1 211 . 7 1 1 A 61 61 GLU HA H 146 3.590 4.197 -0.607 1 1 216 . 7 1 1 A 61 61 GLU CA C 146 59.607 59.621 -0.014 1 1 217 . 7 1 1 A 61 61 GLU CB C 146 30.059 29.108 0.951 1 1 219 . 7 1 1 A 61 61 GLU N N 146 118.985 119.622 -0.637 1 1 220 . 7 1 1 A 62 62 ASP H H 147 8.213 8.105 0.108 1 1 221 . 7 1 1 A 62 62 ASP HA H 147 4.666 4.318 0.348 1 1 224 . 7 1 1 A 62 62 ASP CA C 147 58.292 57.292 1.000 1 1 225 . 7 1 1 A 62 62 ASP CB C 147 40.171 41.582 -1.411 1 1 226 . 7 1 1 A 62 62 ASP N N 147 119.785 119.947 -0.162 1 1 227 . 7 1 1 A 63 63 ARG H H 148 8.229 7.533 0.696 1 1 228 . 7 1 1 A 63 63 ARG HA H 148 4.016 4.007 0.009 1 1 236 . 7 1 1 A 63 63 ARG CA C 148 59.611 59.718 -0.107 1 1 237 . 7 1 1 A 63 63 ARG CB C 148 30.059 29.975 0.084 1 1 240 . 7 1 1 A 63 63 ARG N N 148 120.339 118.949 1.390 1 1 242 . 7 1 1 A 64 64 TYR H H 149 8.340 8.368 -0.028 1 1 243 . 7 1 1 A 64 64 TYR HA H 149 3.829 4.268 -0.439 1 1 250 . 7 1 1 A 64 64 TYR CA C 149 61.991 61.336 0.655 1 1 251 . 7 1 1 A 64 64 TYR CB C 149 38.417 38.454 -0.037 1 1 254 . 7 1 1 A 64 64 TYR N N 149 121.093 121.032 0.061 1 1 255 . 7 1 1 A 65 65 TYR H H 150 8.979 8.554 0.425 1 1 256 . 7 1 1 A 65 65 TYR HA H 150 4.132 4.215 -0.083 1 1 263 . 7 1 1 A 65 65 TYR CA C 150 62.691 61.209 1.482 1 1 264 . 7 1 1 A 65 65 TYR CB C 150 38.025 38.881 -0.856 1 1 267 . 7 1 1 A 65 65 TYR N N 150 120.575 121.107 -0.532 1 1 268 . 7 1 1 A 66 66 ARG H H 151 7.997 8.150 -0.153 1 1 269 . 7 1 1 A 66 66 ARG HA H 151 3.925 4.029 -0.104 1 1 277 . 7 1 1 A 66 66 ARG CA C 151 60.050 59.042 1.008 1 1 278 . 7 1 1 A 66 66 ARG CB C 151 29.901 29.511 0.390 1 1 281 . 7 1 1 A 66 66 ARG N N 151 117.799 118.933 -1.134 1 1 283 . 7 1 1 A 67 67 GLU H H 152 8.076 8.000 0.076 1 1 284 . 7 1 1 A 67 67 GLU HA H 152 4.082 4.148 -0.066 1 1 289 . 7 1 1 A 67 67 GLU CA C 152 58.125 58.332 -0.207 1 1 290 . 7 1 1 A 67 67 GLU CB C 152 29.743 29.578 0.165 1 1 292 . 7 1 1 A 67 67 GLU N N 152 116.601 117.794 -1.193 1 1 293 . 7 1 1 A 68 68 ASN H H 153 7.621 8.000 -0.379 1 1 294 . 7 1 1 A 68 68 ASN HA H 153 4.321 4.524 -0.203 1 1 299 . 7 1 1 A 68 68 ASN CA C 153 54.958 56.035 -1.077 1 1 300 . 7 1 1 A 68 68 ASN CB C 153 41.041 38.329 2.712 1 1 301 . 7 1 1 A 68 68 ASN N N 153 114.623 118.294 -3.671 1 1 303 . 7 1 1 A 69 69 MET H H 154 8.105 8.236 -0.131 1 1 304 . 7 1 1 A 69 69 MET HA H 154 3.458 3.908 -0.450 1 1 312 . 7 1 1 A 69 69 MET CA C 154 59.104 58.059 1.045 1 1 313 . 7 1 1 A 69 69 MET CB C 154 30.533 31.919 -1.386 1 1 316 . 7 1 1 A 69 69 MET N N 154 119.633 117.327 2.306 1 1 317 . 7 1 1 A 70 70 HIS H H 155 8.070 7.895 0.175 1 1 319 . 7 1 1 A 70 70 HIS CA C 155 57.650 59.226 -1.576 1 1 320 . 7 1 1 A 70 70 HIS CB C 155 27.591 30.283 -2.692 1 1 322 . 7 1 1 A 70 70 HIS N N 155 115.018 117.961 -2.943 1 1 323 . 7 1 1 A 71 71 ARG H H 156 7.618 7.803 -0.185 1 1 325 . 7 1 1 A 71 71 ARG CA C 156 56.278 55.419 0.859 1 1 326 . 7 1 1 A 71 71 ARG CB C 156 30.770 30.639 0.131 1 1 329 . 7 1 1 A 71 71 ARG N N 156 118.197 115.724 2.473 1 1 331 . 7 1 1 A 72 72 TYR H H 157 7.473 7.868 -0.395 1 1 332 . 7 1 1 A 72 72 TYR HA H 157 5.034 4.687 0.347 1 1 339 . 7 1 1 A 72 72 TYR CA C 157 52.768 56.636 -3.868 1 1 340 . 7 1 1 A 72 72 TYR CB C 157 35.150 38.490 -3.340 1 1 343 . 7 1 1 A 72 72 TYR N N 157 120.873 118.912 1.961 1 1 344 . 7 1 1 A 73 73 PRO HA H 158 4.425 4.600 -0.175 1 1 351 . 7 1 1 A 73 73 PRO CA C 158 63.737 62.563 1.174 1 1 352 . 7 1 1 A 73 73 PRO CB C 158 32.071 31.971 0.100 1 1 355 . 7 1 1 A 74 74 ASN H H 159 8.562 8.402 0.160 1 1 356 . 7 1 1 A 74 74 ASN HA H 159 4.708 4.746 -0.038 1 1 361 . 7 1 1 A 74 74 ASN CA C 159 51.965 51.949 0.016 1 1 362 . 7 1 1 A 74 74 ASN CB C 159 37.898 38.432 -0.534 1 1 363 . 7 1 1 A 74 74 ASN N N 159 116.213 120.608 -4.395 1 1 365 . 7 1 1 A 75 75 GLN H H 160 7.302 7.309 -0.007 1 1 366 . 7 1 1 A 75 75 GLN HA H 160 4.479 4.577 -0.098 1 1 371 . 7 1 1 A 75 75 GLN CA C 160 54.184 55.489 -1.305 1 1 372 . 7 1 1 A 75 75 GLN CB C 160 34.167 32.383 1.784 1 1 373 . 7 1 1 A 75 75 GLN N N 160 114.122 120.549 -6.427 1 1 375 . 7 1 1 A 76 76 VAL H H 161 8.635 8.501 0.134 1 1 376 . 7 1 1 A 76 76 VAL HA H 161 4.916 4.907 0.009 1 1 384 . 7 1 1 A 76 76 VAL CA C 161 58.557 59.548 -0.991 1 1 385 . 7 1 1 A 76 76 VAL CB C 161 33.635 35.604 -1.969 1 1 388 . 7 1 1 A 76 76 VAL N N 161 112.903 118.515 -5.612 1 1 389 . 7 1 1 A 77 77 TYR H H 162 8.554 9.004 -0.450 1 1 390 . 7 1 1 A 77 77 TYR HA H 162 5.440 5.468 -0.028 1 1 397 . 7 1 1 A 77 77 TYR CA C 162 57.057 56.406 0.651 1 1 398 . 7 1 1 A 77 77 TYR CB C 162 42.147 41.703 0.444 1 1 401 . 7 1 1 A 77 77 TYR N N 162 120.972 122.039 -1.067 1 1 402 . 7 1 1 A 78 78 TYR H H 163 8.686 9.021 -0.335 1 1 403 . 7 1 1 A 78 78 TYR HA H 163 4.797 5.682 -0.885 1 1 410 . 7 1 1 A 78 78 TYR CA C 163 55.484 55.835 -0.351 1 1 413 . 7 1 1 A 78 78 TYR N N 163 111.059 120.175 -9.116 1 1 429 . 7 1 1 A 86 86 ASN HA H 171 4.733 4.793 -0.060 1 1 434 . 7 1 1 A 86 86 ASN CA C 171 52.388 53.441 -1.053 1 1 435 . 7 1 1 A 86 86 ASN CB C 171 39.935 39.672 0.263 1 1 437 . 7 1 1 A 87 87 GLN H H 172 8.740 8.935 -0.195 1 1 440 . 7 1 1 A 87 87 GLN CA C 172 59.906 59.703 0.203 1 1 441 . 7 1 1 A 87 87 GLN CB C 172 29.065 28.759 0.306 1 1 443 . 7 1 1 A 87 87 GLN N N 172 121.279 122.630 -1.351 1 1 445 . 7 1 1 A 88 88 ASN H H 173 8.427 8.278 0.149 1 1 446 . 7 1 1 A 88 88 ASN HA H 173 4.255 4.590 -0.335 1 1 451 . 7 1 1 A 88 88 ASN CA C 173 56.396 55.925 0.471 1 1 452 . 7 1 1 A 88 88 ASN CB C 173 37.912 38.036 -0.124 1 1 453 . 7 1 1 A 88 88 ASN N N 173 116.210 118.649 -2.439 1 1 455 . 7 1 1 A 89 89 ASN H H 174 8.542 8.209 0.333 1 1 456 . 7 1 1 A 89 89 ASN HA H 174 4.509 4.651 -0.142 1 1 461 . 7 1 1 A 89 89 ASN CA C 174 56.013 56.361 -0.348 1 1 462 . 7 1 1 A 89 89 ASN CB C 174 38.359 38.520 -0.161 1 1 463 . 7 1 1 A 89 89 ASN N N 174 118.573 118.664 -0.091 1 1 465 . 7 1 1 A 90 90 PHE H H 175 8.113 8.278 -0.165 1 1 466 . 7 1 1 A 90 90 PHE CA C 175 61.432 61.031 0.401 1 1 467 . 7 1 1 A 90 90 PHE N N 175 120.437 121.678 -1.241 1 1 468 . 7 1 1 A 91 91 VAL H H 176 9.215 8.063 1.152 1 1 469 . 7 1 1 A 91 91 VAL HA H 176 3.608 3.479 0.129 1 1 477 . 7 1 1 A 91 91 VAL CA C 176 67.888 66.563 1.325 1 1 478 . 7 1 1 A 91 91 VAL CB C 176 32.042 31.337 0.705 1 1 480 . 7 1 1 A 91 91 VAL N N 176 120.071 119.363 0.708 1 1 481 . 7 1 1 A 92 92 HIS H H 177 8.497 7.867 0.630 1 1 482 . 7 1 1 A 92 92 HIS HA H 177 4.353 4.191 0.162 1 1 485 . 7 1 1 A 92 92 HIS CA C 177 59.251 59.993 -0.742 1 1 486 . 7 1 1 A 92 92 HIS CB C 177 28.104 30.287 -2.183 1 1 487 . 7 1 1 A 92 92 HIS N N 177 117.399 118.016 -0.617 1 1 488 . 7 1 1 A 93 93 ASN H H 178 7.860 7.965 -0.105 1 1 489 . 7 1 1 A 93 93 ASN HA H 178 4.521 4.409 0.112 1 1 494 . 7 1 1 A 93 93 ASN CA C 178 56.244 56.184 0.060 1 1 495 . 7 1 1 A 93 93 ASN CB C 178 37.934 37.640 0.294 1 1 496 . 7 1 1 A 93 93 ASN N N 178 116.474 116.380 0.094 1 1 498 . 7 1 1 A 94 94 CYS H H 179 8.133 8.090 0.043 1 1 499 . 7 1 1 A 94 94 CYS CA C 179 58.595 62.104 -3.509 1 1 500 . 7 1 1 A 94 94 CYS CB C 179 40.911 27.201 13.710 1 1 501 . 7 1 1 A 94 94 CYS N N 179 120.418 119.108 1.310 1 1 502 . 7 1 1 A 95 95 VAL H H 180 9.280 7.263 2.017 1 1 503 . 7 1 1 A 95 95 VAL HA H 180 3.654 3.478 0.176 1 1 511 . 7 1 1 A 95 95 VAL CA C 180 66.400 66.920 -0.520 1 1 512 . 7 1 1 A 95 95 VAL CB C 180 31.912 31.565 0.347 1 1 515 . 7 1 1 A 95 95 VAL N N 180 125.212 120.873 4.339 1 1 516 . 7 1 1 A 96 96 ASN H H 181 7.696 7.862 -0.166 1 1 517 . 7 1 1 A 96 96 ASN HA H 181 4.321 4.461 -0.140 1 1 522 . 7 1 1 A 96 96 ASN CA C 181 56.419 56.523 -0.104 1 1 523 . 7 1 1 A 96 96 ASN CB C 181 38.654 39.553 -0.899 1 1 524 . 7 1 1 A 96 96 ASN N N 181 115.816 118.337 -2.521 1 1 526 . 7 1 1 A 97 97 ILE H H 182 8.385 7.362 1.023 1 1 527 . 7 1 1 A 97 97 ILE HA H 182 3.726 3.668 0.058 1 1 537 . 7 1 1 A 97 97 ILE CA C 182 62.446 65.186 -2.740 1 1 538 . 7 1 1 A 97 97 ILE CB C 182 36.464 37.443 -0.979 1 1 542 . 7 1 1 A 97 97 ILE N N 182 118.191 119.400 -1.209 1 1 543 . 7 1 1 A 98 98 THR H H 183 8.157 7.499 0.658 1 1 544 . 7 1 1 A 98 98 THR HA H 183 4.078 3.986 0.092 1 1 549 . 7 1 1 A 98 98 THR CA C 183 68.807 66.735 2.072 1 1 550 . 7 1 1 A 98 98 THR CB C 183 68.239 68.419 -0.180 1 1 552 . 7 1 1 A 98 98 THR N N 183 117.797 117.076 0.721 1 1 553 . 7 1 1 A 99 99 ILE H H 184 8.528 7.673 0.855 1 1 554 . 7 1 1 A 99 99 ILE HA H 184 3.727 3.743 -0.016 1 1 564 . 7 1 1 A 99 99 ILE CA C 184 65.621 64.582 1.039 1 1 565 . 7 1 1 A 99 99 ILE CB C 184 36.531 36.506 0.025 1 1 569 . 7 1 1 A 99 99 ILE N N 184 120.576 121.921 -1.345 1 1 570 . 7 1 1 A 100 100 LYS H H 185 7.953 8.046 -0.093 1 1 571 . 7 1 1 A 100 100 LYS HA H 185 4.068 3.928 0.140 1 1 580 . 7 1 1 A 100 100 LYS CA C 185 59.636 59.808 -0.172 1 1 581 . 7 1 1 A 100 100 LYS CB C 185 31.989 32.412 -0.423 1 1 585 . 7 1 1 A 100 100 LYS N N 185 122.562 121.619 0.943 1 1 586 . 7 1 1 A 101 101 GLN H H 186 8.376 7.830 0.546 1 1 589 . 7 1 1 A 101 101 GLN CA C 186 57.741 58.714 -0.973 1 1 590 . 7 1 1 A 101 101 GLN N N 186 116.213 118.292 -2.079 1 1 592 . 7 1 1 A 102 102 HIS H H 187 8.199 7.825 0.374 1 1 593 . 7 1 1 A 102 102 HIS HA H 187 4.593 4.349 0.244 1 1 596 . 7 1 1 A 102 102 HIS CA C 187 59.062 59.182 -0.120 1 1 597 . 7 1 1 A 102 102 HIS CB C 187 30.384 29.399 0.985 1 1 598 . 7 1 1 A 102 102 HIS N N 187 118.199 120.334 -2.135 1 1 599 . 7 1 1 A 103 103 THR H H 188 8.245 8.301 -0.056 1 1 600 . 7 1 1 A 103 103 THR HA H 188 4.184 4.032 0.152 1 1 605 . 7 1 1 A 103 103 THR CA C 188 65.017 65.075 -0.058 1 1 606 . 7 1 1 A 103 103 THR CB C 188 69.167 68.897 0.270 1 1 608 . 7 1 1 A 103 103 THR N N 188 113.748 114.524 -0.776 1 1 609 . 7 1 1 A 104 104 VAL H H 189 8.013 8.000 0.013 1 1 610 . 7 1 1 A 104 104 VAL HA H 189 4.004 3.563 0.441 1 1 618 . 7 1 1 A 104 104 VAL CA C 189 65.151 66.959 -1.808 1 1 619 . 7 1 1 A 104 104 VAL CB C 189 31.743 31.804 -0.061 1 1 622 . 7 1 1 A 104 104 VAL N N 189 122.142 120.887 1.255 1 1 623 . 7 1 1 A 105 105 THR H H 190 8.092 8.158 -0.066 1 1 624 . 7 1 1 A 105 105 THR HA H 190 4.250 3.987 0.263 1 1 629 . 7 1 1 A 105 105 THR CA C 190 64.314 65.853 -1.539 1 1 630 . 7 1 1 A 105 105 THR CB C 190 69.159 68.274 0.885 1 1 632 . 7 1 1 A 105 105 THR N N 190 115.022 115.644 -0.622 1 1 633 . 7 1 1 A 106 106 THR H H 191 8.017 8.137 -0.120 1 1 634 . 7 1 1 A 106 106 THR HA H 191 4.214 4.069 0.145 1 1 639 . 7 1 1 A 106 106 THR CA C 191 63.874 65.798 -1.924 1 1 640 . 7 1 1 A 106 106 THR CB C 191 69.009 68.526 0.483 1 1 642 . 7 1 1 A 106 106 THR N N 191 114.622 116.521 -1.899 1 1 643 . 7 1 1 A 107 107 THR H H 192 8.194 7.836 0.358 1 1 644 . 7 1 1 A 107 107 THR CA C 192 64.201 65.992 -1.791 1 1 645 . 7 1 1 A 107 107 THR CB C 192 69.159 68.462 0.697 1 1 647 . 7 1 1 A 107 107 THR N N 192 116.611 117.523 -0.912 1 1 648 . 7 1 1 A 108 108 THR H H 193 7.932 8.146 -0.214 1 1 649 . 7 1 1 A 108 108 THR CA C 193 63.871 66.565 -2.694 1 1 650 . 7 1 1 A 108 108 THR CB C 193 69.002 68.666 0.336 1 1 652 . 7 1 1 A 108 108 THR N N 193 116.096 117.293 -1.197 1 1 653 . 7 1 1 A 109 109 LYS H H 194 7.821 7.823 -0.002 1 1 654 . 7 1 1 A 109 109 LYS HA H 194 4.364 4.433 -0.069 1 1 663 . 7 1 1 A 109 109 LYS CA C 194 56.285 55.970 0.315 1 1 664 . 7 1 1 A 109 109 LYS CB C 194 32.636 33.585 -0.949 1 1 668 . 7 1 1 A 109 109 LYS N N 194 120.975 117.957 3.018 1 1 669 . 7 1 1 A 110 110 GLY H H 195 8.109 7.833 0.276 1 1 670 . 7 1 1 A 110 110 GLY HA2 H 195 3.858 3.930 -0.072 1 1 671 . 7 1 1 A 110 110 GLY HA3 H 195 4.083 3.936 0.147 1 1 672 . 7 1 1 A 110 110 GLY CA C 195 45.511 46.561 -1.050 1 1 673 . 7 1 1 A 110 110 GLY N N 195 108.675 109.562 -0.887 1 1 674 . 7 1 1 A 111 111 GLU H H 196 7.706 7.621 0.085 1 1 675 . 7 1 1 A 111 111 GLU HA H 196 4.258 4.726 -0.468 1 1 680 . 7 1 1 A 111 111 GLU CA C 196 55.837 54.908 0.929 1 1 681 . 7 1 1 A 111 111 GLU CB C 196 30.673 32.441 -1.768 1 1 683 . 7 1 1 A 111 111 GLU N N 196 120.028 119.215 0.813 1 1 684 . 7 1 1 A 112 112 ASN H H 197 8.460 8.654 -0.194 1 1 685 . 7 1 1 A 112 112 ASN HA H 197 4.668 5.389 -0.721 1 1 690 . 7 1 1 A 112 112 ASN CA C 197 52.923 51.648 1.275 1 1 691 . 7 1 1 A 112 112 ASN CB C 197 40.491 42.159 -1.668 1 1 692 . 7 1 1 A 112 112 ASN N N 197 119.716 117.174 2.542 1 1 694 . 7 1 1 A 113 113 PHE H H 198 8.655 8.109 0.546 1 1 695 . 7 1 1 A 113 113 PHE HA H 198 5.262 5.745 -0.483 1 1 698 . 7 1 1 A 113 113 PHE CA C 198 56.640 55.357 1.283 1 1 699 . 7 1 1 A 113 113 PHE CB C 198 39.899 41.996 -2.097 1 1 700 . 7 1 1 A 113 113 PHE N N 198 122.046 117.972 4.074 1 1 701 . 7 1 1 A 114 114 THR H H 199 9.506 8.986 0.520 1 1 702 . 7 1 1 A 114 114 THR HA H 199 4.625 4.833 -0.208 1 1 707 . 7 1 1 A 114 114 THR CA C 199 60.305 60.065 0.240 1 1 708 . 7 1 1 A 114 114 THR CB C 199 72.033 71.617 0.416 1 1 710 . 7 1 1 A 114 114 THR N N 199 116.124 114.195 1.929 1 1 711 . 7 1 1 A 115 115 GLU H H 200 9.120 9.054 0.066 1 1 712 . 7 1 1 A 115 115 GLU HA H 200 4.051 4.170 -0.119 1 1 717 . 7 1 1 A 115 115 GLU CA C 200 59.877 59.232 0.645 1 1 718 . 7 1 1 A 115 115 GLU CB C 200 28.787 29.136 -0.349 1 1 720 . 7 1 1 A 115 115 GLU N N 200 119.993 120.606 -0.613 1 1 721 . 7 1 1 A 116 116 THR H H 201 7.955 7.731 0.224 1 1 722 . 7 1 1 A 116 116 THR HA H 201 3.794 4.016 -0.222 1 1 727 . 7 1 1 A 116 116 THR CA C 201 66.734 66.697 0.037 1 1 728 . 7 1 1 A 116 116 THR CB C 201 68.624 68.908 -0.284 1 1 730 . 7 1 1 A 116 116 THR N N 201 116.160 117.159 -0.999 1 1 731 . 7 1 1 A 117 117 ASP H H 202 7.505 8.155 -0.650 1 1 732 . 7 1 1 A 117 117 ASP HA H 202 4.577 4.480 0.097 1 1 735 . 7 1 1 A 117 117 ASP CA C 202 58.057 57.639 0.418 1 1 736 . 7 1 1 A 117 117 ASP CB C 202 41.747 41.508 0.239 1 1 737 . 7 1 1 A 117 117 ASP N N 202 120.175 121.416 -1.241 1 1 738 . 7 1 1 A 118 118 VAL H H 203 8.236 8.546 -0.310 1 1 739 . 7 1 1 A 118 118 VAL HA H 203 3.324 3.831 -0.507 1 1 747 . 7 1 1 A 118 118 VAL CA C 203 67.799 65.214 2.585 1 1 748 . 7 1 1 A 118 118 VAL CB C 203 31.269 30.981 0.288 1 1 751 . 7 1 1 A 118 118 VAL N N 203 119.654 118.725 0.929 1 1 752 . 7 1 1 A 119 119 LYS H H 204 7.740 8.050 -0.310 1 1 753 . 7 1 1 A 119 119 LYS HA H 204 4.090 4.082 0.008 1 1 762 . 7 1 1 A 119 119 LYS CA C 204 59.368 59.707 -0.339 1 1 763 . 7 1 1 A 119 119 LYS CB C 204 32.165 32.295 -0.130 1 1 767 . 7 1 1 A 119 119 LYS N N 204 119.288 120.855 -1.567 1 1 768 . 7 1 1 A 120 120 MET H H 205 8.235 7.984 0.251 1 1 769 . 7 1 1 A 120 120 MET HA H 205 4.158 4.232 -0.074 1 1 777 . 7 1 1 A 120 120 MET CA C 205 59.819 58.722 1.097 1 1 778 . 7 1 1 A 120 120 MET CB C 205 33.078 32.251 0.827 1 1 781 . 7 1 1 A 120 120 MET N N 205 118.767 118.216 0.551 1 1 782 . 7 1 1 A 121 121 MET H H 206 8.755 7.788 0.967 1 1 783 . 7 1 1 A 121 121 MET HA H 206 3.580 4.387 -0.807 1 1 791 . 7 1 1 A 121 121 MET CA C 206 59.639 58.152 1.487 1 1 792 . 7 1 1 A 121 121 MET CB C 206 32.777 32.300 0.477 1 1 795 . 7 1 1 A 121 121 MET N N 206 118.428 120.357 -1.929 1 1 796 . 7 1 1 A 122 122 GLU H H 207 8.419 8.444 -0.025 1 1 797 . 7 1 1 A 122 122 GLU HA H 207 3.688 4.025 -0.337 1 1 802 . 7 1 1 A 122 122 GLU CA C 207 60.390 59.527 0.863 1 1 803 . 7 1 1 A 122 122 GLU CB C 207 28.448 29.262 -0.814 1 1 805 . 7 1 1 A 122 122 GLU N N 207 118.469 118.336 0.133 1 1 806 . 7 1 1 A 123 123 ARG H H 208 7.344 7.569 -0.225 1 1 807 . 7 1 1 A 123 123 ARG HA H 208 4.163 4.119 0.044 1 1 815 . 7 1 1 A 123 123 ARG CA C 208 58.537 59.283 -0.746 1 1 816 . 7 1 1 A 123 123 ARG CB C 208 29.925 30.224 -0.299 1 1 819 . 7 1 1 A 123 123 ARG N N 208 116.990 120.732 -3.742 1 1 821 . 7 1 1 A 124 124 VAL H H 209 8.299 7.655 0.644 1 1 822 . 7 1 1 A 124 124 VAL HA H 209 3.798 3.729 0.069 1 1 830 . 7 1 1 A 124 124 VAL CA C 209 65.995 66.107 -0.112 1 1 831 . 7 1 1 A 124 124 VAL CB C 209 32.075 31.603 0.472 1 1 834 . 7 1 1 A 124 124 VAL N N 209 119.301 119.772 -0.471 1 1 835 . 7 1 1 A 125 125 VAL H H 210 9.016 8.068 0.948 1 1 836 . 7 1 1 A 125 125 VAL HA H 210 3.643 3.618 0.025 1 1 844 . 7 1 1 A 125 125 VAL CA C 210 66.591 66.739 -0.148 1 1 845 . 7 1 1 A 125 125 VAL CB C 210 31.836 31.457 0.379 1 1 848 . 7 1 1 A 125 125 VAL N N 210 121.312 121.158 0.154 1 1 849 . 7 1 1 A 126 126 GLU H H 211 8.153 8.044 0.109 1 1 850 . 7 1 1 A 126 126 GLU HA H 211 3.622 3.988 -0.366 1 1 855 . 7 1 1 A 126 126 GLU CA C 211 60.997 59.597 1.400 1 1 856 . 7 1 1 A 126 126 GLU CB C 211 28.921 28.965 -0.044 1 1 858 . 7 1 1 A 126 126 GLU N N 211 120.456 119.847 0.609 1 1 859 . 7 1 1 A 127 127 GLN H H 212 7.274 7.853 -0.579 1 1 862 . 7 1 1 A 127 127 GLN CA C 212 58.803 59.147 -0.344 1 1 863 . 7 1 1 A 127 127 GLN N N 212 115.025 118.750 -3.725 1 1 865 . 7 1 1 A 128 128 MET H H 213 8.324 7.734 0.590 1 1 866 . 7 1 1 A 128 128 MET HA H 213 4.146 4.167 -0.021 1 1 872 . 7 1 1 A 128 128 MET CA C 213 59.976 58.415 1.561 1 1 873 . 7 1 1 A 128 128 MET CB C 213 31.911 32.271 -0.360 1 1 875 . 7 1 1 A 128 128 MET N N 213 119.344 118.577 0.767 1 1 876 . 7 1 1 A 129 129 CYS H H 214 9.219 8.079 1.140 1 1 877 . 7 1 1 A 129 129 CYS CA C 214 59.821 63.793 -3.972 1 1 878 . 7 1 1 A 129 129 CYS N N 214 118.992 117.569 1.423 1 1 879 . 7 1 1 A 130 130 ILE H H 215 8.340 7.497 0.843 1 1 880 . 7 1 1 A 130 130 ILE HA H 215 3.563 3.862 -0.299 1 1 890 . 7 1 1 A 130 130 ILE CA C 215 66.751 64.711 2.040 1 1 891 . 7 1 1 A 130 130 ILE CB C 215 37.814 37.308 0.506 1 1 895 . 7 1 1 A 130 130 ILE N N 215 123.750 120.787 2.963 1 1 896 . 7 1 1 A 131 131 THR H H 216 8.142 8.155 -0.013 1 1 897 . 7 1 1 A 131 131 THR HA H 216 3.940 3.902 0.038 1 1 902 . 7 1 1 A 131 131 THR CA C 216 66.898 66.836 0.062 1 1 903 . 7 1 1 A 131 131 THR CB C 216 69.608 68.572 1.036 1 1 905 . 7 1 1 A 131 131 THR N N 216 118.528 117.540 0.988 1 1 906 . 7 1 1 A 132 132 GLN H H 217 8.687 7.856 0.831 1 1 907 . 7 1 1 A 132 132 GLN HA H 217 3.688 3.883 -0.195 1 1 914 . 7 1 1 A 132 132 GLN CA C 217 58.527 58.010 0.517 1 1 915 . 7 1 1 A 132 132 GLN CB C 217 28.353 28.286 0.067 1 1 917 . 7 1 1 A 132 132 GLN N N 217 121.765 119.997 1.768 1 1 919 . 7 1 1 A 133 133 TYR HA H 218 4.532 4.848 -0.316 1 1 926 . 7 1 1 A 133 133 TYR CA C 218 55.867 56.097 -0.230 1 1 927 . 7 1 1 A 133 133 TYR CB C 218 37.912 39.273 -1.361 1 1 930 . 7 1 1 A 134 134 GLU H H 219 8.293 9.166 -0.873 1 1 931 . 7 1 1 A 134 134 GLU HA H 219 3.689 4.084 -0.395 1 1 936 . 7 1 1 A 134 134 GLU CA C 219 59.268 60.080 -0.812 1 1 937 . 7 1 1 A 134 134 GLU CB C 219 28.324 29.715 -1.391 1 1 939 . 7 1 1 A 134 134 GLU N N 219 120.400 126.062 -5.662 1 1 940 . 7 1 1 A 135 135 ARG H H 220 7.887 8.030 -0.143 1 1 941 . 7 1 1 A 135 135 ARG HA H 220 3.981 4.088 -0.107 1 1 949 . 7 1 1 A 135 135 ARG CA C 220 59.266 59.604 -0.338 1 1 950 . 7 1 1 A 135 135 ARG CB C 220 30.337 30.088 0.249 1 1 953 . 7 1 1 A 135 135 ARG N N 220 118.589 119.989 -1.400 1 1 955 . 7 1 1 A 137 137 SER HA H 222 3.954 4.243 -0.289 1 1 958 . 7 1 1 A 137 137 SER CA C 222 60.572 61.202 -0.630 1 1 959 . 7 1 1 A 137 137 SER CB C 222 62.761 63.214 -0.453 1 1 960 . 7 1 1 A 138 138 GLN H H 223 7.624 7.930 -0.306 1 1 961 . 7 1 1 A 138 138 GLN HA H 223 4.153 4.087 0.066 1 1 968 . 7 1 1 A 138 138 GLN CA C 223 57.658 58.736 -1.078 1 1 969 . 7 1 1 A 138 138 GLN CB C 223 28.370 28.206 0.164 1 1 971 . 7 1 1 A 138 138 GLN N N 223 120.575 120.948 -0.373 1 1 973 . 7 1 1 A 139 139 ALA H H 224 7.627 7.872 -0.245 1 1 974 . 7 1 1 A 139 139 ALA HA H 224 4.156 4.186 -0.030 1 1 978 . 7 1 1 A 139 139 ALA CA C 224 54.017 54.931 -0.914 1 1 979 . 7 1 1 A 139 139 ALA CB C 224 18.645 18.169 0.476 1 1 980 . 7 1 1 A 139 139 ALA N N 224 121.263 121.746 -0.483 1 1 981 . 7 1 1 A 140 140 TYR H H 225 8.048 8.209 -0.161 1 1 982 . 7 1 1 A 140 140 TYR HA H 225 4.204 4.223 -0.019 1 1 989 . 7 1 1 A 140 140 TYR CA C 225 59.890 61.587 -1.697 1 1 990 . 7 1 1 A 140 140 TYR CB C 225 38.994 38.719 0.275 1 1 993 . 7 1 1 A 140 140 TYR N N 225 118.980 120.428 -1.448 1 1 994 . 7 1 1 A 141 141 TYR H H 226 7.948 8.201 -0.253 1 1 995 . 7 1 1 A 141 141 TYR HA H 226 4.375 4.258 0.117 1 1 1002 . 7 1 1 A 141 141 TYR CA C 226 59.036 61.531 -2.495 1 1 1003 . 7 1 1 A 141 141 TYR CB C 226 38.060 38.703 -0.643 1 1 1006 . 7 1 1 A 141 141 TYR N N 226 118.596 120.935 -2.339 1 1 1007 . 7 1 1 A 142 142 GLN H H 227 7.941 7.688 0.253 1 1 1008 . 7 1 1 A 142 142 GLN HA H 227 4.240 4.360 -0.120 1 1 1015 . 7 1 1 A 142 142 GLN CA C 227 56.346 55.939 0.407 1 1 1016 . 7 1 1 A 142 142 GLN CB C 227 28.912 29.811 -0.899 1 1 1018 . 7 1 1 A 142 142 GLN N N 227 119.883 119.040 0.843 1 1 1020 . 7 1 1 A 143 143 ARG H H 228 7.966 8.895 -0.929 1 1 1021 . 7 1 1 A 143 143 ARG HA H 228 4.244 4.989 -0.745 1 1 1029 . 7 1 1 A 143 143 ARG CA C 228 56.719 54.089 2.630 1 1 1030 . 7 1 1 A 143 143 ARG CB C 228 30.731 33.492 -2.761 1 1 1033 . 7 1 1 A 143 143 ARG N N 228 120.871 117.384 3.487 1 1 1035 . 7 1 1 A 144 144 GLY H H 229 8.247 8.572 -0.325 1 1 1036 . 7 1 1 A 144 144 GLY HA2 H 229 3.992 4.125 -0.133 1 1 1037 . 7 1 1 A 144 144 GLY HA3 H 229 3.992 4.128 -0.136 1 1 1038 . 7 1 1 A 144 144 GLY CA C 229 45.359 44.761 0.598 1 1 1039 . 7 1 1 A 144 144 GLY N N 229 109.072 107.930 1.142 1 1 1040 . 7 1 1 A 145 145 SER H H 230 8.139 8.825 -0.686 1 1 1041 . 7 1 1 A 145 145 SER HA H 230 4.506 4.929 -0.423 1 1 1044 . 7 1 1 A 145 145 SER CA C 230 58.123 57.437 0.686 1 1 1045 . 7 1 1 A 145 145 SER CB C 230 63.878 65.036 -1.158 1 1 1046 . 7 1 1 A 145 145 SER N N 230 115.684 122.173 -6.489 1 1 16 . 8 1 1 A 41 41 GLY H H 126 8.484 7.780 0.704 1 1 17 . 8 1 1 A 41 41 GLY HA2 H 126 3.861 4.099 -0.238 1 1 18 . 8 1 1 A 41 41 GLY HA3 H 126 3.920 4.142 -0.222 1 1 19 . 8 1 1 A 41 41 GLY CA C 126 46.260 45.653 0.607 1 1 20 . 8 1 1 A 41 41 GLY N N 126 109.470 104.769 4.701 1 1 21 . 8 1 1 A 42 42 GLY H H 127 8.326 7.742 0.584 1 1 22 . 8 1 1 A 42 42 GLY HA2 H 127 3.749 4.060 -0.311 1 1 23 . 8 1 1 A 42 42 GLY HA3 H 127 3.900 4.144 -0.244 1 1 24 . 8 1 1 A 42 42 GLY CA C 127 45.226 45.599 -0.373 1 1 25 . 8 1 1 A 42 42 GLY N N 127 109.020 105.205 3.815 1 1 26 . 8 1 1 A 43 43 TYR H H 128 7.692 8.111 -0.419 1 1 27 . 8 1 1 A 43 43 TYR HA H 128 4.675 5.086 -0.411 1 1 34 . 8 1 1 A 43 43 TYR CA C 128 57.271 56.741 0.530 1 1 35 . 8 1 1 A 43 43 TYR CB C 128 40.257 39.075 1.182 1 1 38 . 8 1 1 A 43 43 TYR N N 128 117.301 118.731 -1.430 1 1 39 . 8 1 1 A 44 44 VAL H H 129 8.974 8.507 0.467 1 1 40 . 8 1 1 A 44 44 VAL HA H 129 4.344 4.428 -0.084 1 1 48 . 8 1 1 A 44 44 VAL CA C 129 59.555 61.647 -2.092 1 1 49 . 8 1 1 A 44 44 VAL CB C 129 34.728 32.800 1.928 1 1 52 . 8 1 1 A 44 44 VAL N N 129 118.589 121.483 -2.894 1 1 53 . 8 1 1 A 45 45 LEU H H 130 8.029 8.628 -0.599 1 1 62 . 8 1 1 A 45 45 LEU N N 130 123.350 125.350 -2.000 1 1 63 . 8 1 1 A 46 46 GLY H H 131 9.278 8.381 0.897 1 1 64 . 8 1 1 A 46 46 GLY CA C 131 44.842 45.805 -0.963 1 1 65 . 8 1 1 A 46 46 GLY N N 131 114.623 113.227 1.396 1 1 66 . 8 1 1 A 47 47 SER H H 132 8.315 8.465 -0.150 1 1 67 . 8 1 1 A 47 47 SER HA H 132 4.438 5.342 -0.904 1 1 70 . 8 1 1 A 47 47 SER CA C 132 58.520 56.416 2.104 1 1 71 . 8 1 1 A 47 47 SER CB C 132 64.166 66.973 -2.807 1 1 72 . 8 1 1 A 47 47 SER N N 132 113.038 115.300 -2.262 1 1 73 . 8 1 1 A 48 48 ALA H H 133 8.736 8.418 0.318 1 1 74 . 8 1 1 A 48 48 ALA HA H 133 4.425 4.437 -0.012 1 1 78 . 8 1 1 A 48 48 ALA CA C 133 53.090 51.647 1.443 1 1 79 . 8 1 1 A 48 48 ALA CB C 133 18.465 20.038 -1.573 1 1 80 . 8 1 1 A 48 48 ALA N N 133 125.270 124.078 1.192 1 1 81 . 8 1 1 A 49 49 MET H H 134 8.758 8.920 -0.162 1 1 82 . 8 1 1 A 49 49 MET HA H 134 4.754 5.190 -0.436 1 1 90 . 8 1 1 A 49 49 MET CA C 134 53.972 54.156 -0.184 1 1 91 . 8 1 1 A 49 49 MET CB C 134 37.222 35.151 2.071 1 1 94 . 8 1 1 A 49 49 MET N N 134 120.911 117.675 3.236 1 1 95 . 8 1 1 A 50 50 SER H H 135 8.430 8.907 -0.477 1 1 96 . 8 1 1 A 50 50 SER HA H 135 4.356 4.716 -0.360 1 1 99 . 8 1 1 A 50 50 SER CA C 135 58.630 57.207 1.423 1 1 100 . 8 1 1 A 50 50 SER CB C 135 63.575 64.494 -0.919 1 1 101 . 8 1 1 A 50 50 SER N N 135 116.162 118.470 -2.308 1 1 102 . 8 1 1 A 51 51 ARG H H 136 8.646 8.881 -0.235 1 1 103 . 8 1 1 A 51 51 ARG HA H 136 4.434 3.803 0.631 1 1 111 . 8 1 1 A 51 51 ARG CA C 136 54.863 56.559 -1.696 1 1 112 . 8 1 1 A 51 51 ARG CB C 136 30.519 28.503 2.016 1 1 115 . 8 1 1 A 51 51 ARG N N 136 126.460 122.400 4.060 1 1 117 . 8 1 1 A 52 52 PRO HA H 137 4.413 4.509 -0.096 1 1 124 . 8 1 1 A 52 52 PRO CA C 137 62.198 64.557 -2.359 1 1 125 . 8 1 1 A 52 52 PRO CB C 137 32.165 31.978 0.187 1 1 128 . 8 1 1 A 53 53 ILE H H 138 8.647 7.595 1.052 1 1 129 . 8 1 1 A 53 53 ILE HA H 138 4.160 4.110 0.050 1 1 139 . 8 1 1 A 53 53 ILE CA C 138 60.851 61.435 -0.584 1 1 140 . 8 1 1 A 53 53 ILE CB C 138 36.101 37.812 -1.711 1 1 144 . 8 1 1 A 53 53 ILE N N 138 122.534 118.123 4.411 1 1 145 . 8 1 1 A 54 54 ILE H H 139 6.485 8.574 -2.089 1 1 146 . 8 1 1 A 54 54 ILE HA H 139 3.926 4.335 -0.409 1 1 156 . 8 1 1 A 54 54 ILE CA C 139 58.665 59.291 -0.626 1 1 157 . 8 1 1 A 54 54 ILE CB C 139 39.251 40.254 -1.003 1 1 161 . 8 1 1 A 54 54 ILE N N 139 126.733 128.999 -2.266 1 1 162 . 8 1 1 A 55 55 HIS H H 140 8.249 7.992 0.257 1 1 163 . 8 1 1 A 55 55 HIS HA H 140 4.935 4.091 0.844 1 1 167 . 8 1 1 A 55 55 HIS CA C 140 54.209 56.764 -2.555 1 1 168 . 8 1 1 A 55 55 HIS CB C 140 29.326 29.274 0.052 1 1 170 . 8 1 1 A 55 55 HIS N N 140 122.048 125.315 -3.267 1 1 171 . 8 1 1 A 56 56 PHE H H 141 10.205 8.352 1.853 1 1 172 . 8 1 1 A 56 56 PHE HA H 141 4.360 3.909 0.451 1 1 175 . 8 1 1 A 56 56 PHE CA C 141 59.367 60.944 -1.577 1 1 176 . 8 1 1 A 56 56 PHE CB C 141 41.594 39.210 2.384 1 1 177 . 8 1 1 A 56 56 PHE N N 141 124.145 124.323 -0.178 1 1 178 . 8 1 1 A 57 57 GLY H H 142 9.008 8.303 0.705 1 1 179 . 8 1 1 A 57 57 GLY HA2 H 142 3.835 4.026 -0.191 1 1 180 . 8 1 1 A 57 57 GLY HA3 H 142 4.168 4.040 0.128 1 1 181 . 8 1 1 A 57 57 GLY CA C 142 45.777 45.339 0.438 1 1 182 . 8 1 1 A 57 57 GLY N N 142 108.268 107.220 1.048 1 1 183 . 8 1 1 A 58 58 SER H H 143 7.327 7.869 -0.542 1 1 184 . 8 1 1 A 58 58 SER HA H 143 4.820 4.964 -0.144 1 1 187 . 8 1 1 A 58 58 SER CA C 143 56.405 57.509 -1.104 1 1 188 . 8 1 1 A 58 58 SER CB C 143 66.034 66.452 -0.418 1 1 189 . 8 1 1 A 58 58 SER N N 143 111.827 115.279 -3.452 1 1 190 . 8 1 1 A 59 59 ASP H H 144 9.051 9.146 -0.095 1 1 191 . 8 1 1 A 59 59 ASP HA H 144 4.502 4.190 0.312 1 1 194 . 8 1 1 A 59 59 ASP CA C 144 57.676 57.745 -0.069 1 1 195 . 8 1 1 A 59 59 ASP CB C 144 40.505 40.026 0.479 1 1 196 . 8 1 1 A 59 59 ASP N N 144 124.541 126.158 -1.617 1 1 197 . 8 1 1 A 60 60 TYR H H 145 8.571 7.815 0.756 1 1 198 . 8 1 1 A 60 60 TYR HA H 145 4.197 4.274 -0.077 1 1 205 . 8 1 1 A 60 60 TYR CA C 145 61.232 61.711 -0.479 1 1 206 . 8 1 1 A 60 60 TYR CB C 145 37.912 37.808 0.104 1 1 209 . 8 1 1 A 60 60 TYR N N 145 118.914 119.453 -0.539 1 1 210 . 8 1 1 A 61 61 GLU H H 146 7.737 8.486 -0.749 1 1 211 . 8 1 1 A 61 61 GLU HA H 146 3.590 4.122 -0.532 1 1 216 . 8 1 1 A 61 61 GLU CA C 146 59.607 59.743 -0.136 1 1 217 . 8 1 1 A 61 61 GLU CB C 146 30.059 29.119 0.940 1 1 219 . 8 1 1 A 61 61 GLU N N 146 118.985 119.268 -0.283 1 1 220 . 8 1 1 A 62 62 ASP H H 147 8.213 8.409 -0.196 1 1 221 . 8 1 1 A 62 62 ASP HA H 147 4.666 4.027 0.639 1 1 224 . 8 1 1 A 62 62 ASP CA C 147 58.292 57.286 1.006 1 1 225 . 8 1 1 A 62 62 ASP CB C 147 40.171 42.014 -1.843 1 1 226 . 8 1 1 A 62 62 ASP N N 147 119.785 119.697 0.088 1 1 227 . 8 1 1 A 63 63 ARG H H 148 8.229 7.570 0.659 1 1 228 . 8 1 1 A 63 63 ARG HA H 148 4.016 3.966 0.050 1 1 236 . 8 1 1 A 63 63 ARG CA C 148 59.611 59.739 -0.128 1 1 237 . 8 1 1 A 63 63 ARG CB C 148 30.059 29.901 0.158 1 1 240 . 8 1 1 A 63 63 ARG N N 148 120.339 118.825 1.514 1 1 242 . 8 1 1 A 64 64 TYR H H 149 8.340 8.263 0.077 1 1 243 . 8 1 1 A 64 64 TYR HA H 149 3.829 4.248 -0.419 1 1 250 . 8 1 1 A 64 64 TYR CA C 149 61.991 61.451 0.540 1 1 251 . 8 1 1 A 64 64 TYR CB C 149 38.417 38.321 0.096 1 1 254 . 8 1 1 A 64 64 TYR N N 149 121.093 121.099 -0.006 1 1 255 . 8 1 1 A 65 65 TYR H H 150 8.979 8.408 0.571 1 1 256 . 8 1 1 A 65 65 TYR HA H 150 4.132 4.098 0.034 1 1 263 . 8 1 1 A 65 65 TYR CA C 150 62.691 60.543 2.148 1 1 264 . 8 1 1 A 65 65 TYR CB C 150 38.025 38.692 -0.667 1 1 267 . 8 1 1 A 65 65 TYR N N 150 120.575 120.861 -0.286 1 1 268 . 8 1 1 A 66 66 ARG H H 151 7.997 8.030 -0.033 1 1 269 . 8 1 1 A 66 66 ARG HA H 151 3.925 3.825 0.100 1 1 277 . 8 1 1 A 66 66 ARG CA C 151 60.050 59.036 1.014 1 1 278 . 8 1 1 A 66 66 ARG CB C 151 29.901 29.592 0.309 1 1 281 . 8 1 1 A 66 66 ARG N N 151 117.799 118.951 -1.152 1 1 283 . 8 1 1 A 67 67 GLU H H 152 8.076 7.936 0.140 1 1 284 . 8 1 1 A 67 67 GLU HA H 152 4.082 3.929 0.153 1 1 289 . 8 1 1 A 67 67 GLU CA C 152 58.125 58.241 -0.116 1 1 290 . 8 1 1 A 67 67 GLU CB C 152 29.743 29.533 0.210 1 1 292 . 8 1 1 A 67 67 GLU N N 152 116.601 117.764 -1.163 1 1 293 . 8 1 1 A 68 68 ASN H H 153 7.621 7.542 0.079 1 1 294 . 8 1 1 A 68 68 ASN HA H 153 4.321 4.497 -0.176 1 1 299 . 8 1 1 A 68 68 ASN CA C 153 54.958 56.008 -1.050 1 1 300 . 8 1 1 A 68 68 ASN CB C 153 41.041 38.239 2.802 1 1 301 . 8 1 1 A 68 68 ASN N N 153 114.623 119.050 -4.427 1 1 303 . 8 1 1 A 69 69 MET H H 154 8.105 8.211 -0.106 1 1 304 . 8 1 1 A 69 69 MET HA H 154 3.458 3.556 -0.098 1 1 312 . 8 1 1 A 69 69 MET CA C 154 59.104 57.885 1.219 1 1 313 . 8 1 1 A 69 69 MET CB C 154 30.533 31.814 -1.281 1 1 316 . 8 1 1 A 69 69 MET N N 154 119.633 117.338 2.295 1 1 317 . 8 1 1 A 70 70 HIS H H 155 8.070 7.809 0.261 1 1 319 . 8 1 1 A 70 70 HIS CA C 155 57.650 58.956 -1.306 1 1 320 . 8 1 1 A 70 70 HIS CB C 155 27.591 29.857 -2.266 1 1 322 . 8 1 1 A 70 70 HIS N N 155 115.018 117.797 -2.779 1 1 323 . 8 1 1 A 71 71 ARG H H 156 7.618 8.389 -0.771 1 1 325 . 8 1 1 A 71 71 ARG CA C 156 56.278 55.979 0.299 1 1 326 . 8 1 1 A 71 71 ARG CB C 156 30.770 30.228 0.542 1 1 329 . 8 1 1 A 71 71 ARG N N 156 118.197 113.447 4.750 1 1 331 . 8 1 1 A 72 72 TYR H H 157 7.473 7.720 -0.247 1 1 332 . 8 1 1 A 72 72 TYR HA H 157 5.034 4.811 0.223 1 1 339 . 8 1 1 A 72 72 TYR CA C 157 52.768 56.457 -3.689 1 1 340 . 8 1 1 A 72 72 TYR CB C 157 35.150 38.089 -2.939 1 1 343 . 8 1 1 A 72 72 TYR N N 157 120.873 121.613 -0.740 1 1 344 . 8 1 1 A 73 73 PRO HA H 158 4.425 4.619 -0.194 1 1 351 . 8 1 1 A 73 73 PRO CA C 158 63.737 62.888 0.849 1 1 352 . 8 1 1 A 73 73 PRO CB C 158 32.071 32.554 -0.483 1 1 355 . 8 1 1 A 74 74 ASN H H 159 8.562 8.699 -0.137 1 1 356 . 8 1 1 A 74 74 ASN HA H 159 4.708 5.076 -0.368 1 1 361 . 8 1 1 A 74 74 ASN CA C 159 51.965 52.183 -0.218 1 1 362 . 8 1 1 A 74 74 ASN CB C 159 37.898 39.344 -1.446 1 1 363 . 8 1 1 A 74 74 ASN N N 159 116.213 120.258 -4.045 1 1 365 . 8 1 1 A 75 75 GLN H H 160 7.302 7.535 -0.233 1 1 366 . 8 1 1 A 75 75 GLN HA H 160 4.479 4.657 -0.178 1 1 371 . 8 1 1 A 75 75 GLN CA C 160 54.184 55.461 -1.277 1 1 372 . 8 1 1 A 75 75 GLN CB C 160 34.167 32.204 1.963 1 1 373 . 8 1 1 A 75 75 GLN N N 160 114.122 119.428 -5.306 1 1 375 . 8 1 1 A 76 76 VAL H H 161 8.635 8.656 -0.021 1 1 376 . 8 1 1 A 76 76 VAL HA H 161 4.916 5.028 -0.112 1 1 384 . 8 1 1 A 76 76 VAL CA C 161 58.557 59.616 -1.059 1 1 385 . 8 1 1 A 76 76 VAL CB C 161 33.635 35.322 -1.687 1 1 388 . 8 1 1 A 76 76 VAL N N 161 112.903 118.018 -5.115 1 1 389 . 8 1 1 A 77 77 TYR H H 162 8.554 9.049 -0.495 1 1 390 . 8 1 1 A 77 77 TYR HA H 162 5.440 5.041 0.399 1 1 397 . 8 1 1 A 77 77 TYR CA C 162 57.057 57.225 -0.168 1 1 398 . 8 1 1 A 77 77 TYR CB C 162 42.147 39.917 2.230 1 1 401 . 8 1 1 A 77 77 TYR N N 162 120.972 124.946 -3.974 1 1 402 . 8 1 1 A 78 78 TYR H H 163 8.686 8.952 -0.266 1 1 403 . 8 1 1 A 78 78 TYR HA H 163 4.797 5.272 -0.475 1 1 410 . 8 1 1 A 78 78 TYR CA C 163 55.484 56.394 -0.910 1 1 413 . 8 1 1 A 78 78 TYR N N 163 111.059 123.601 -12.542 1 1 429 . 8 1 1 A 86 86 ASN HA H 171 4.733 4.658 0.075 1 1 434 . 8 1 1 A 86 86 ASN CA C 171 52.388 53.168 -0.780 1 1 435 . 8 1 1 A 86 86 ASN CB C 171 39.935 39.072 0.863 1 1 437 . 8 1 1 A 87 87 GLN H H 172 8.740 8.776 -0.036 1 1 440 . 8 1 1 A 87 87 GLN CA C 172 59.906 59.263 0.643 1 1 441 . 8 1 1 A 87 87 GLN CB C 172 29.065 28.190 0.875 1 1 443 . 8 1 1 A 87 87 GLN N N 172 121.279 119.828 1.451 1 1 445 . 8 1 1 A 88 88 ASN H H 173 8.427 8.204 0.223 1 1 446 . 8 1 1 A 88 88 ASN HA H 173 4.255 4.402 -0.147 1 1 451 . 8 1 1 A 88 88 ASN CA C 173 56.396 56.693 -0.297 1 1 452 . 8 1 1 A 88 88 ASN CB C 173 37.912 38.096 -0.184 1 1 453 . 8 1 1 A 88 88 ASN N N 173 116.210 118.166 -1.956 1 1 455 . 8 1 1 A 89 89 ASN H H 174 8.542 8.181 0.361 1 1 456 . 8 1 1 A 89 89 ASN HA H 174 4.509 4.588 -0.079 1 1 461 . 8 1 1 A 89 89 ASN CA C 174 56.013 56.134 -0.121 1 1 462 . 8 1 1 A 89 89 ASN CB C 174 38.359 38.301 0.058 1 1 463 . 8 1 1 A 89 89 ASN N N 174 118.573 117.980 0.593 1 1 465 . 8 1 1 A 90 90 PHE H H 175 8.113 8.114 -0.001 1 1 466 . 8 1 1 A 90 90 PHE CA C 175 61.432 60.978 0.454 1 1 467 . 8 1 1 A 90 90 PHE N N 175 120.437 120.312 0.125 1 1 468 . 8 1 1 A 91 91 VAL H H 176 9.215 8.231 0.984 1 1 469 . 8 1 1 A 91 91 VAL HA H 176 3.608 3.560 0.048 1 1 477 . 8 1 1 A 91 91 VAL CA C 176 67.888 66.629 1.259 1 1 478 . 8 1 1 A 91 91 VAL CB C 176 32.042 31.183 0.859 1 1 480 . 8 1 1 A 91 91 VAL N N 176 120.071 119.708 0.363 1 1 481 . 8 1 1 A 92 92 HIS H H 177 8.497 7.322 1.175 1 1 482 . 8 1 1 A 92 92 HIS HA H 177 4.353 4.216 0.137 1 1 485 . 8 1 1 A 92 92 HIS CA C 177 59.251 60.009 -0.758 1 1 486 . 8 1 1 A 92 92 HIS CB C 177 28.104 29.937 -1.833 1 1 487 . 8 1 1 A 92 92 HIS N N 177 117.399 118.217 -0.818 1 1 488 . 8 1 1 A 93 93 ASN H H 178 7.860 7.824 0.036 1 1 489 . 8 1 1 A 93 93 ASN HA H 178 4.521 4.355 0.166 1 1 494 . 8 1 1 A 93 93 ASN CA C 178 56.244 56.074 0.170 1 1 495 . 8 1 1 A 93 93 ASN CB C 178 37.934 37.194 0.740 1 1 496 . 8 1 1 A 93 93 ASN N N 178 116.474 116.501 -0.027 1 1 498 . 8 1 1 A 94 94 CYS H H 179 8.133 8.098 0.035 1 1 499 . 8 1 1 A 94 94 CYS CA C 179 58.595 62.620 -4.025 1 1 500 . 8 1 1 A 94 94 CYS CB C 179 40.911 27.398 13.513 1 1 501 . 8 1 1 A 94 94 CYS N N 179 120.418 119.142 1.276 1 1 502 . 8 1 1 A 95 95 VAL H H 180 9.280 7.538 1.742 1 1 503 . 8 1 1 A 95 95 VAL HA H 180 3.654 3.551 0.103 1 1 511 . 8 1 1 A 95 95 VAL CA C 180 66.400 66.780 -0.380 1 1 512 . 8 1 1 A 95 95 VAL CB C 180 31.912 31.408 0.504 1 1 515 . 8 1 1 A 95 95 VAL N N 180 125.212 120.226 4.986 1 1 516 . 8 1 1 A 96 96 ASN H H 181 7.696 8.100 -0.404 1 1 517 . 8 1 1 A 96 96 ASN HA H 181 4.321 4.437 -0.116 1 1 522 . 8 1 1 A 96 96 ASN CA C 181 56.419 56.444 -0.025 1 1 523 . 8 1 1 A 96 96 ASN CB C 181 38.654 38.383 0.271 1 1 524 . 8 1 1 A 96 96 ASN N N 181 115.816 118.188 -2.372 1 1 526 . 8 1 1 A 97 97 ILE H H 182 8.385 7.554 0.831 1 1 527 . 8 1 1 A 97 97 ILE HA H 182 3.726 3.654 0.072 1 1 537 . 8 1 1 A 97 97 ILE CA C 182 62.446 64.855 -2.409 1 1 538 . 8 1 1 A 97 97 ILE CB C 182 36.464 36.833 -0.369 1 1 542 . 8 1 1 A 97 97 ILE N N 182 118.191 119.618 -1.427 1 1 543 . 8 1 1 A 98 98 THR H H 183 8.157 7.504 0.653 1 1 544 . 8 1 1 A 98 98 THR HA H 183 4.078 3.976 0.102 1 1 549 . 8 1 1 A 98 98 THR CA C 183 68.807 66.918 1.889 1 1 550 . 8 1 1 A 98 98 THR CB C 183 68.239 68.838 -0.599 1 1 552 . 8 1 1 A 98 98 THR N N 183 117.797 117.267 0.530 1 1 553 . 8 1 1 A 99 99 ILE H H 184 8.528 8.086 0.442 1 1 554 . 8 1 1 A 99 99 ILE HA H 184 3.727 3.655 0.072 1 1 564 . 8 1 1 A 99 99 ILE CA C 184 65.621 64.307 1.314 1 1 565 . 8 1 1 A 99 99 ILE CB C 184 36.531 36.423 0.108 1 1 569 . 8 1 1 A 99 99 ILE N N 184 120.576 120.564 0.012 1 1 570 . 8 1 1 A 100 100 LYS H H 185 7.953 8.219 -0.266 1 1 571 . 8 1 1 A 100 100 LYS HA H 185 4.068 3.900 0.168 1 1 580 . 8 1 1 A 100 100 LYS CA C 185 59.636 59.761 -0.125 1 1 581 . 8 1 1 A 100 100 LYS CB C 185 31.989 32.509 -0.520 1 1 585 . 8 1 1 A 100 100 LYS N N 185 122.562 121.841 0.721 1 1 586 . 8 1 1 A 101 101 GLN H H 186 8.376 7.783 0.593 1 1 589 . 8 1 1 A 101 101 GLN CA C 186 57.741 58.525 -0.784 1 1 590 . 8 1 1 A 101 101 GLN N N 186 116.213 118.281 -2.068 1 1 592 . 8 1 1 A 102 102 HIS H H 187 8.199 7.823 0.376 1 1 593 . 8 1 1 A 102 102 HIS HA H 187 4.593 4.289 0.304 1 1 596 . 8 1 1 A 102 102 HIS CA C 187 59.062 59.345 -0.283 1 1 597 . 8 1 1 A 102 102 HIS CB C 187 30.384 30.594 -0.210 1 1 598 . 8 1 1 A 102 102 HIS N N 187 118.199 121.506 -3.307 1 1 599 . 8 1 1 A 103 103 THR H H 188 8.245 8.232 0.013 1 1 600 . 8 1 1 A 103 103 THR HA H 188 4.184 3.993 0.191 1 1 605 . 8 1 1 A 103 103 THR CA C 188 65.017 65.632 -0.615 1 1 606 . 8 1 1 A 103 103 THR CB C 188 69.167 68.338 0.829 1 1 608 . 8 1 1 A 103 103 THR N N 188 113.748 113.650 0.098 1 1 609 . 8 1 1 A 104 104 VAL H H 189 8.013 7.938 0.075 1 1 610 . 8 1 1 A 104 104 VAL HA H 189 4.004 3.587 0.417 1 1 618 . 8 1 1 A 104 104 VAL CA C 189 65.151 66.632 -1.481 1 1 619 . 8 1 1 A 104 104 VAL CB C 189 31.743 31.742 0.001 1 1 622 . 8 1 1 A 104 104 VAL N N 189 122.142 122.984 -0.842 1 1 623 . 8 1 1 A 105 105 THR H H 190 8.092 8.104 -0.012 1 1 624 . 8 1 1 A 105 105 THR HA H 190 4.250 3.971 0.279 1 1 629 . 8 1 1 A 105 105 THR CA C 190 64.314 65.753 -1.439 1 1 630 . 8 1 1 A 105 105 THR CB C 190 69.159 68.397 0.762 1 1 632 . 8 1 1 A 105 105 THR N N 190 115.022 115.284 -0.262 1 1 633 . 8 1 1 A 106 106 THR H H 191 8.017 7.827 0.190 1 1 634 . 8 1 1 A 106 106 THR HA H 191 4.214 3.849 0.365 1 1 639 . 8 1 1 A 106 106 THR CA C 191 63.874 65.606 -1.732 1 1 640 . 8 1 1 A 106 106 THR CB C 191 69.009 68.252 0.757 1 1 642 . 8 1 1 A 106 106 THR N N 191 114.622 116.531 -1.909 1 1 643 . 8 1 1 A 107 107 THR H H 192 8.194 7.665 0.529 1 1 644 . 8 1 1 A 107 107 THR CA C 192 64.201 64.935 -0.734 1 1 645 . 8 1 1 A 107 107 THR CB C 192 69.159 68.772 0.387 1 1 647 . 8 1 1 A 107 107 THR N N 192 116.611 115.843 0.768 1 1 648 . 8 1 1 A 108 108 THR H H 193 7.932 8.170 -0.238 1 1 649 . 8 1 1 A 108 108 THR CA C 193 63.871 66.864 -2.993 1 1 650 . 8 1 1 A 108 108 THR CB C 193 69.002 68.141 0.861 1 1 652 . 8 1 1 A 108 108 THR N N 193 116.096 116.512 -0.416 1 1 653 . 8 1 1 A 109 109 LYS H H 194 7.821 7.646 0.175 1 1 654 . 8 1 1 A 109 109 LYS HA H 194 4.364 4.284 0.080 1 1 663 . 8 1 1 A 109 109 LYS CA C 194 56.285 55.916 0.369 1 1 664 . 8 1 1 A 109 109 LYS CB C 194 32.636 32.971 -0.335 1 1 668 . 8 1 1 A 109 109 LYS N N 194 120.975 117.702 3.273 1 1 669 . 8 1 1 A 110 110 GLY H H 195 8.109 7.886 0.223 1 1 670 . 8 1 1 A 110 110 GLY HA2 H 195 3.858 3.886 -0.028 1 1 671 . 8 1 1 A 110 110 GLY HA3 H 195 4.083 3.893 0.190 1 1 672 . 8 1 1 A 110 110 GLY CA C 195 45.511 46.487 -0.976 1 1 673 . 8 1 1 A 110 110 GLY N N 195 108.675 109.529 -0.854 1 1 674 . 8 1 1 A 111 111 GLU H H 196 7.706 7.813 -0.107 1 1 675 . 8 1 1 A 111 111 GLU HA H 196 4.258 4.841 -0.583 1 1 680 . 8 1 1 A 111 111 GLU CA C 196 55.837 54.379 1.458 1 1 681 . 8 1 1 A 111 111 GLU CB C 196 30.673 33.501 -2.828 1 1 683 . 8 1 1 A 111 111 GLU N N 196 120.028 119.104 0.924 1 1 684 . 8 1 1 A 112 112 ASN H H 197 8.460 8.731 -0.271 1 1 685 . 8 1 1 A 112 112 ASN HA H 197 4.668 5.359 -0.691 1 1 690 . 8 1 1 A 112 112 ASN CA C 197 52.923 51.306 1.617 1 1 691 . 8 1 1 A 112 112 ASN CB C 197 40.491 42.130 -1.639 1 1 692 . 8 1 1 A 112 112 ASN N N 197 119.716 116.699 3.017 1 1 694 . 8 1 1 A 113 113 PHE H H 198 8.655 8.971 -0.316 1 1 695 . 8 1 1 A 113 113 PHE HA H 198 5.262 4.976 0.286 1 1 698 . 8 1 1 A 113 113 PHE CA C 198 56.640 57.160 -0.520 1 1 699 . 8 1 1 A 113 113 PHE CB C 198 39.899 40.577 -0.678 1 1 700 . 8 1 1 A 113 113 PHE N N 198 122.046 120.128 1.918 1 1 701 . 8 1 1 A 114 114 THR H H 199 9.506 8.954 0.552 1 1 702 . 8 1 1 A 114 114 THR HA H 199 4.625 4.914 -0.289 1 1 707 . 8 1 1 A 114 114 THR CA C 199 60.305 59.929 0.376 1 1 708 . 8 1 1 A 114 114 THR CB C 199 72.033 72.013 0.020 1 1 710 . 8 1 1 A 114 114 THR N N 199 116.124 114.422 1.702 1 1 711 . 8 1 1 A 115 115 GLU H H 200 9.120 9.122 -0.002 1 1 712 . 8 1 1 A 115 115 GLU HA H 200 4.051 4.089 -0.038 1 1 717 . 8 1 1 A 115 115 GLU CA C 200 59.877 59.614 0.263 1 1 718 . 8 1 1 A 115 115 GLU CB C 200 28.787 29.156 -0.369 1 1 720 . 8 1 1 A 115 115 GLU N N 200 119.993 121.396 -1.403 1 1 721 . 8 1 1 A 116 116 THR H H 201 7.955 7.742 0.213 1 1 722 . 8 1 1 A 116 116 THR HA H 201 3.794 4.056 -0.262 1 1 727 . 8 1 1 A 116 116 THR CA C 201 66.734 66.716 0.018 1 1 728 . 8 1 1 A 116 116 THR CB C 201 68.624 69.017 -0.393 1 1 730 . 8 1 1 A 116 116 THR N N 201 116.160 117.710 -1.550 1 1 731 . 8 1 1 A 117 117 ASP H H 202 7.505 7.920 -0.415 1 1 732 . 8 1 1 A 117 117 ASP HA H 202 4.577 4.590 -0.013 1 1 735 . 8 1 1 A 117 117 ASP CA C 202 58.057 57.175 0.882 1 1 736 . 8 1 1 A 117 117 ASP CB C 202 41.747 41.209 0.538 1 1 737 . 8 1 1 A 117 117 ASP N N 202 120.175 121.774 -1.599 1 1 738 . 8 1 1 A 118 118 VAL H H 203 8.236 8.619 -0.383 1 1 739 . 8 1 1 A 118 118 VAL HA H 203 3.324 3.683 -0.359 1 1 747 . 8 1 1 A 118 118 VAL CA C 203 67.799 65.160 2.639 1 1 748 . 8 1 1 A 118 118 VAL CB C 203 31.269 30.931 0.338 1 1 751 . 8 1 1 A 118 118 VAL N N 203 119.654 119.189 0.465 1 1 752 . 8 1 1 A 119 119 LYS H H 204 7.740 7.829 -0.089 1 1 753 . 8 1 1 A 119 119 LYS HA H 204 4.090 4.016 0.074 1 1 762 . 8 1 1 A 119 119 LYS CA C 204 59.368 59.686 -0.318 1 1 763 . 8 1 1 A 119 119 LYS CB C 204 32.165 32.248 -0.083 1 1 767 . 8 1 1 A 119 119 LYS N N 204 119.288 121.576 -2.288 1 1 768 . 8 1 1 A 120 120 MET H H 205 8.235 8.036 0.199 1 1 769 . 8 1 1 A 120 120 MET HA H 205 4.158 4.328 -0.170 1 1 777 . 8 1 1 A 120 120 MET CA C 205 59.819 58.812 1.007 1 1 778 . 8 1 1 A 120 120 MET CB C 205 33.078 32.398 0.680 1 1 781 . 8 1 1 A 120 120 MET N N 205 118.767 118.797 -0.030 1 1 782 . 8 1 1 A 121 121 MET H H 206 8.755 7.934 0.821 1 1 783 . 8 1 1 A 121 121 MET HA H 206 3.580 4.314 -0.734 1 1 791 . 8 1 1 A 121 121 MET CA C 206 59.639 58.006 1.633 1 1 792 . 8 1 1 A 121 121 MET CB C 206 32.777 32.074 0.703 1 1 795 . 8 1 1 A 121 121 MET N N 206 118.428 120.428 -2.000 1 1 796 . 8 1 1 A 122 122 GLU H H 207 8.419 8.406 0.013 1 1 797 . 8 1 1 A 122 122 GLU HA H 207 3.688 3.948 -0.260 1 1 802 . 8 1 1 A 122 122 GLU CA C 207 60.390 59.516 0.874 1 1 803 . 8 1 1 A 122 122 GLU CB C 207 28.448 29.212 -0.764 1 1 805 . 8 1 1 A 122 122 GLU N N 207 118.469 118.318 0.151 1 1 806 . 8 1 1 A 123 123 ARG H H 208 7.344 7.708 -0.364 1 1 807 . 8 1 1 A 123 123 ARG HA H 208 4.163 4.125 0.038 1 1 815 . 8 1 1 A 123 123 ARG CA C 208 58.537 59.532 -0.995 1 1 816 . 8 1 1 A 123 123 ARG CB C 208 29.925 30.646 -0.721 1 1 819 . 8 1 1 A 123 123 ARG N N 208 116.990 121.073 -4.083 1 1 821 . 8 1 1 A 124 124 VAL H H 209 8.299 7.464 0.835 1 1 822 . 8 1 1 A 124 124 VAL HA H 209 3.798 3.677 0.121 1 1 830 . 8 1 1 A 124 124 VAL CA C 209 65.995 66.389 -0.394 1 1 831 . 8 1 1 A 124 124 VAL CB C 209 32.075 31.717 0.358 1 1 834 . 8 1 1 A 124 124 VAL N N 209 119.301 119.278 0.023 1 1 835 . 8 1 1 A 125 125 VAL H H 210 9.016 8.307 0.709 1 1 836 . 8 1 1 A 125 125 VAL HA H 210 3.643 3.511 0.132 1 1 844 . 8 1 1 A 125 125 VAL CA C 210 66.591 66.562 0.029 1 1 845 . 8 1 1 A 125 125 VAL CB C 210 31.836 31.391 0.445 1 1 848 . 8 1 1 A 125 125 VAL N N 210 121.312 120.085 1.227 1 1 849 . 8 1 1 A 126 126 GLU H H 211 8.153 7.801 0.352 1 1 850 . 8 1 1 A 126 126 GLU HA H 211 3.622 4.049 -0.427 1 1 855 . 8 1 1 A 126 126 GLU CA C 211 60.997 59.574 1.423 1 1 856 . 8 1 1 A 126 126 GLU CB C 211 28.921 29.233 -0.312 1 1 858 . 8 1 1 A 126 126 GLU N N 211 120.456 119.518 0.938 1 1 859 . 8 1 1 A 127 127 GLN H H 212 7.274 7.880 -0.606 1 1 862 . 8 1 1 A 127 127 GLN CA C 212 58.803 58.980 -0.177 1 1 863 . 8 1 1 A 127 127 GLN N N 212 115.025 118.865 -3.840 1 1 865 . 8 1 1 A 128 128 MET H H 213 8.324 8.512 -0.188 1 1 866 . 8 1 1 A 128 128 MET HA H 213 4.146 4.184 -0.038 1 1 872 . 8 1 1 A 128 128 MET CA C 213 59.976 58.514 1.462 1 1 873 . 8 1 1 A 128 128 MET CB C 213 31.911 31.844 0.067 1 1 875 . 8 1 1 A 128 128 MET N N 213 119.344 119.039 0.305 1 1 876 . 8 1 1 A 129 129 CYS H H 214 9.219 7.971 1.248 1 1 877 . 8 1 1 A 129 129 CYS CA C 214 59.821 63.611 -3.790 1 1 878 . 8 1 1 A 129 129 CYS N N 214 118.992 118.693 0.299 1 1 879 . 8 1 1 A 130 130 ILE H H 215 8.340 7.886 0.454 1 1 880 . 8 1 1 A 130 130 ILE HA H 215 3.563 3.706 -0.143 1 1 890 . 8 1 1 A 130 130 ILE CA C 215 66.751 65.119 1.632 1 1 891 . 8 1 1 A 130 130 ILE CB C 215 37.814 37.426 0.388 1 1 895 . 8 1 1 A 130 130 ILE N N 215 123.750 121.104 2.646 1 1 896 . 8 1 1 A 131 131 THR H H 216 8.142 7.772 0.370 1 1 897 . 8 1 1 A 131 131 THR HA H 216 3.940 3.933 0.007 1 1 902 . 8 1 1 A 131 131 THR CA C 216 66.898 66.820 0.078 1 1 903 . 8 1 1 A 131 131 THR CB C 216 69.608 68.741 0.867 1 1 905 . 8 1 1 A 131 131 THR N N 216 118.528 118.083 0.445 1 1 906 . 8 1 1 A 132 132 GLN H H 217 8.687 7.548 1.139 1 1 907 . 8 1 1 A 132 132 GLN HA H 217 3.688 4.130 -0.442 1 1 914 . 8 1 1 A 132 132 GLN CA C 217 58.527 58.904 -0.377 1 1 915 . 8 1 1 A 132 132 GLN CB C 217 28.353 28.814 -0.461 1 1 917 . 8 1 1 A 132 132 GLN N N 217 121.765 121.497 0.268 1 1 919 . 8 1 1 A 133 133 TYR HA H 218 4.532 4.211 0.321 1 1 926 . 8 1 1 A 133 133 TYR CA C 218 55.867 59.116 -3.249 1 1 927 . 8 1 1 A 133 133 TYR CB C 218 37.912 37.917 -0.005 1 1 930 . 8 1 1 A 134 134 GLU H H 219 8.293 8.055 0.238 1 1 931 . 8 1 1 A 134 134 GLU HA H 219 3.689 4.030 -0.341 1 1 936 . 8 1 1 A 134 134 GLU CA C 219 59.268 59.811 -0.543 1 1 937 . 8 1 1 A 134 134 GLU CB C 219 28.324 29.133 -0.809 1 1 939 . 8 1 1 A 134 134 GLU N N 219 120.400 119.944 0.456 1 1 940 . 8 1 1 A 135 135 ARG H H 220 7.887 7.996 -0.109 1 1 941 . 8 1 1 A 135 135 ARG HA H 220 3.981 3.949 0.032 1 1 949 . 8 1 1 A 135 135 ARG CA C 220 59.266 59.386 -0.120 1 1 950 . 8 1 1 A 135 135 ARG CB C 220 30.337 29.908 0.429 1 1 953 . 8 1 1 A 135 135 ARG N N 220 118.589 120.692 -2.103 1 1 955 . 8 1 1 A 137 137 SER HA H 222 3.954 4.127 -0.173 1 1 958 . 8 1 1 A 137 137 SER CA C 222 60.572 61.162 -0.590 1 1 959 . 8 1 1 A 137 137 SER CB C 222 62.761 63.172 -0.411 1 1 960 . 8 1 1 A 138 138 GLN H H 223 7.624 7.649 -0.025 1 1 961 . 8 1 1 A 138 138 GLN HA H 223 4.153 4.071 0.082 1 1 968 . 8 1 1 A 138 138 GLN CA C 223 57.658 58.395 -0.737 1 1 969 . 8 1 1 A 138 138 GLN CB C 223 28.370 29.021 -0.651 1 1 971 . 8 1 1 A 138 138 GLN N N 223 120.575 120.744 -0.169 1 1 973 . 8 1 1 A 139 139 ALA H H 224 7.627 8.023 -0.396 1 1 974 . 8 1 1 A 139 139 ALA HA H 224 4.156 4.159 -0.003 1 1 978 . 8 1 1 A 139 139 ALA CA C 224 54.017 54.929 -0.912 1 1 979 . 8 1 1 A 139 139 ALA CB C 224 18.645 18.192 0.453 1 1 980 . 8 1 1 A 139 139 ALA N N 224 121.263 121.821 -0.558 1 1 981 . 8 1 1 A 140 140 TYR H H 225 8.048 7.867 0.181 1 1 982 . 8 1 1 A 140 140 TYR HA H 225 4.204 4.249 -0.045 1 1 989 . 8 1 1 A 140 140 TYR CA C 225 59.890 61.462 -1.572 1 1 990 . 8 1 1 A 140 140 TYR CB C 225 38.994 37.947 1.047 1 1 993 . 8 1 1 A 140 140 TYR N N 225 118.980 120.080 -1.100 1 1 994 . 8 1 1 A 141 141 TYR H H 226 7.948 8.140 -0.192 1 1 995 . 8 1 1 A 141 141 TYR HA H 226 4.375 4.219 0.156 1 1 1002 . 8 1 1 A 141 141 TYR CA C 226 59.036 61.629 -2.593 1 1 1003 . 8 1 1 A 141 141 TYR CB C 226 38.060 38.457 -0.397 1 1 1006 . 8 1 1 A 141 141 TYR N N 226 118.596 120.431 -1.835 1 1 1007 . 8 1 1 A 142 142 GLN H H 227 7.941 7.367 0.574 1 1 1008 . 8 1 1 A 142 142 GLN HA H 227 4.240 4.369 -0.129 1 1 1015 . 8 1 1 A 142 142 GLN CA C 227 56.346 56.049 0.297 1 1 1016 . 8 1 1 A 142 142 GLN CB C 227 28.912 29.376 -0.464 1 1 1018 . 8 1 1 A 142 142 GLN N N 227 119.883 118.275 1.608 1 1 1020 . 8 1 1 A 143 143 ARG H H 228 7.966 8.535 -0.569 1 1 1021 . 8 1 1 A 143 143 ARG HA H 228 4.244 5.072 -0.828 1 1 1029 . 8 1 1 A 143 143 ARG CA C 228 56.719 54.121 2.598 1 1 1030 . 8 1 1 A 143 143 ARG CB C 228 30.731 33.071 -2.340 1 1 1033 . 8 1 1 A 143 143 ARG N N 228 120.871 121.886 -1.015 1 1 1035 . 8 1 1 A 144 144 GLY H H 229 8.247 8.343 -0.096 1 1 1036 . 8 1 1 A 144 144 GLY HA2 H 229 3.992 4.204 -0.212 1 1 1037 . 8 1 1 A 144 144 GLY HA3 H 229 3.992 4.206 -0.214 1 1 1038 . 8 1 1 A 144 144 GLY CA C 229 45.359 45.690 -0.331 1 1 1039 . 8 1 1 A 144 144 GLY N N 229 109.072 106.688 2.384 1 1 1040 . 8 1 1 A 145 145 SER H H 230 8.139 8.897 -0.758 1 1 1041 . 8 1 1 A 145 145 SER HA H 230 4.506 4.200 0.306 1 1 1044 . 8 1 1 A 145 145 SER CA C 230 58.123 61.335 -3.212 1 1 1045 . 8 1 1 A 145 145 SER CB C 230 63.878 63.397 0.481 1 1 1046 . 8 1 1 A 145 145 SER N N 230 115.684 117.180 -1.496 1 1 16 . 9 1 1 A 41 41 GLY H H 126 8.484 8.023 0.461 1 1 17 . 9 1 1 A 41 41 GLY HA2 H 126 3.861 3.893 -0.032 1 1 18 . 9 1 1 A 41 41 GLY HA3 H 126 3.920 3.901 0.019 1 1 19 . 9 1 1 A 41 41 GLY CA C 126 46.260 46.861 -0.601 1 1 20 . 9 1 1 A 41 41 GLY N N 126 109.470 106.631 2.839 1 1 21 . 9 1 1 A 42 42 GLY H H 127 8.326 8.235 0.091 1 1 22 . 9 1 1 A 42 42 GLY HA2 H 127 3.749 3.689 0.060 1 1 23 . 9 1 1 A 42 42 GLY HA3 H 127 3.900 3.827 0.073 1 1 24 . 9 1 1 A 42 42 GLY CA C 127 45.226 45.910 -0.684 1 1 25 . 9 1 1 A 42 42 GLY N N 127 109.020 110.284 -1.264 1 1 26 . 9 1 1 A 43 43 TYR H H 128 7.692 8.037 -0.345 1 1 27 . 9 1 1 A 43 43 TYR HA H 128 4.675 4.846 -0.171 1 1 34 . 9 1 1 A 43 43 TYR CA C 128 57.271 57.094 0.177 1 1 35 . 9 1 1 A 43 43 TYR CB C 128 40.257 37.664 2.593 1 1 38 . 9 1 1 A 43 43 TYR N N 128 117.301 118.509 -1.208 1 1 39 . 9 1 1 A 44 44 VAL H H 129 8.974 8.744 0.230 1 1 40 . 9 1 1 A 44 44 VAL HA H 129 4.344 4.091 0.253 1 1 48 . 9 1 1 A 44 44 VAL CA C 129 59.555 62.727 -3.172 1 1 49 . 9 1 1 A 44 44 VAL CB C 129 34.728 32.287 2.441 1 1 52 . 9 1 1 A 44 44 VAL N N 129 118.589 127.002 -8.413 1 1 53 . 9 1 1 A 45 45 LEU H H 130 8.029 8.450 -0.421 1 1 62 . 9 1 1 A 45 45 LEU N N 130 123.350 127.938 -4.588 1 1 63 . 9 1 1 A 46 46 GLY H H 131 9.278 8.279 0.999 1 1 64 . 9 1 1 A 46 46 GLY CA C 131 44.842 45.752 -0.910 1 1 65 . 9 1 1 A 46 46 GLY N N 131 114.623 110.304 4.319 1 1 66 . 9 1 1 A 47 47 SER H H 132 8.315 7.431 0.884 1 1 67 . 9 1 1 A 47 47 SER HA H 132 4.438 4.695 -0.257 1 1 70 . 9 1 1 A 47 47 SER CA C 132 58.520 59.304 -0.784 1 1 71 . 9 1 1 A 47 47 SER CB C 132 64.166 64.647 -0.481 1 1 72 . 9 1 1 A 47 47 SER N N 132 113.038 113.619 -0.581 1 1 73 . 9 1 1 A 48 48 ALA H H 133 8.736 7.553 1.183 1 1 74 . 9 1 1 A 48 48 ALA HA H 133 4.425 4.517 -0.092 1 1 78 . 9 1 1 A 48 48 ALA CA C 133 53.090 51.479 1.611 1 1 79 . 9 1 1 A 48 48 ALA CB C 133 18.465 21.531 -3.066 1 1 80 . 9 1 1 A 48 48 ALA N N 133 125.270 119.429 5.841 1 1 81 . 9 1 1 A 49 49 MET H H 134 8.758 8.658 0.100 1 1 82 . 9 1 1 A 49 49 MET HA H 134 4.754 5.004 -0.250 1 1 90 . 9 1 1 A 49 49 MET CA C 134 53.972 54.531 -0.559 1 1 91 . 9 1 1 A 49 49 MET CB C 134 37.222 37.039 0.183 1 1 94 . 9 1 1 A 49 49 MET N N 134 120.911 117.553 3.358 1 1 95 . 9 1 1 A 50 50 SER H H 135 8.430 8.702 -0.272 1 1 96 . 9 1 1 A 50 50 SER HA H 135 4.356 4.669 -0.313 1 1 99 . 9 1 1 A 50 50 SER CA C 135 58.630 58.029 0.601 1 1 100 . 9 1 1 A 50 50 SER CB C 135 63.575 64.254 -0.679 1 1 101 . 9 1 1 A 50 50 SER N N 135 116.162 119.218 -3.056 1 1 102 . 9 1 1 A 51 51 ARG H H 136 8.646 8.900 -0.254 1 1 103 . 9 1 1 A 51 51 ARG HA H 136 4.434 3.908 0.526 1 1 111 . 9 1 1 A 51 51 ARG CA C 136 54.863 56.588 -1.725 1 1 112 . 9 1 1 A 51 51 ARG CB C 136 30.519 28.473 2.046 1 1 115 . 9 1 1 A 51 51 ARG N N 136 126.460 120.845 5.615 1 1 117 . 9 1 1 A 52 52 PRO HA H 137 4.413 4.607 -0.194 1 1 124 . 9 1 1 A 52 52 PRO CA C 137 62.198 64.524 -2.326 1 1 125 . 9 1 1 A 52 52 PRO CB C 137 32.165 31.736 0.429 1 1 128 . 9 1 1 A 53 53 ILE H H 138 8.647 7.696 0.951 1 1 129 . 9 1 1 A 53 53 ILE HA H 138 4.160 4.154 0.006 1 1 139 . 9 1 1 A 53 53 ILE CA C 138 60.851 60.388 0.463 1 1 140 . 9 1 1 A 53 53 ILE CB C 138 36.101 37.028 -0.927 1 1 144 . 9 1 1 A 53 53 ILE N N 138 122.534 118.100 4.434 1 1 145 . 9 1 1 A 54 54 ILE H H 139 6.485 8.245 -1.760 1 1 146 . 9 1 1 A 54 54 ILE HA H 139 3.926 4.329 -0.403 1 1 156 . 9 1 1 A 54 54 ILE CA C 139 58.665 60.973 -2.308 1 1 157 . 9 1 1 A 54 54 ILE CB C 139 39.251 39.654 -0.403 1 1 161 . 9 1 1 A 54 54 ILE N N 139 126.733 128.846 -2.113 1 1 162 . 9 1 1 A 55 55 HIS H H 140 8.249 8.430 -0.181 1 1 163 . 9 1 1 A 55 55 HIS HA H 140 4.935 4.160 0.775 1 1 167 . 9 1 1 A 55 55 HIS CA C 140 54.209 56.797 -2.588 1 1 168 . 9 1 1 A 55 55 HIS CB C 140 29.326 29.311 0.015 1 1 170 . 9 1 1 A 55 55 HIS N N 140 122.048 125.395 -3.347 1 1 171 . 9 1 1 A 56 56 PHE H H 141 10.205 8.359 1.846 1 1 172 . 9 1 1 A 56 56 PHE HA H 141 4.360 3.856 0.504 1 1 175 . 9 1 1 A 56 56 PHE CA C 141 59.367 60.603 -1.236 1 1 176 . 9 1 1 A 56 56 PHE CB C 141 41.594 38.954 2.640 1 1 177 . 9 1 1 A 56 56 PHE N N 141 124.145 124.229 -0.084 1 1 178 . 9 1 1 A 57 57 GLY H H 142 9.008 8.624 0.384 1 1 179 . 9 1 1 A 57 57 GLY HA2 H 142 3.835 4.010 -0.175 1 1 180 . 9 1 1 A 57 57 GLY HA3 H 142 4.168 4.024 0.144 1 1 181 . 9 1 1 A 57 57 GLY CA C 142 45.777 45.489 0.288 1 1 182 . 9 1 1 A 57 57 GLY N N 142 108.268 108.246 0.022 1 1 183 . 9 1 1 A 58 58 SER H H 143 7.327 7.742 -0.415 1 1 184 . 9 1 1 A 58 58 SER HA H 143 4.820 4.840 -0.020 1 1 187 . 9 1 1 A 58 58 SER CA C 143 56.405 56.859 -0.454 1 1 188 . 9 1 1 A 58 58 SER CB C 143 66.034 65.576 0.458 1 1 189 . 9 1 1 A 58 58 SER N N 143 111.827 111.232 0.595 1 1 190 . 9 1 1 A 59 59 ASP H H 144 9.051 8.874 0.177 1 1 191 . 9 1 1 A 59 59 ASP HA H 144 4.502 4.037 0.465 1 1 194 . 9 1 1 A 59 59 ASP CA C 144 57.676 57.460 0.216 1 1 195 . 9 1 1 A 59 59 ASP CB C 144 40.505 40.439 0.066 1 1 196 . 9 1 1 A 59 59 ASP N N 144 124.541 125.906 -1.365 1 1 197 . 9 1 1 A 60 60 TYR H H 145 8.571 7.625 0.946 1 1 198 . 9 1 1 A 60 60 TYR HA H 145 4.197 4.277 -0.080 1 1 205 . 9 1 1 A 60 60 TYR CA C 145 61.232 61.736 -0.504 1 1 206 . 9 1 1 A 60 60 TYR CB C 145 37.912 37.878 0.034 1 1 209 . 9 1 1 A 60 60 TYR N N 145 118.914 119.004 -0.090 1 1 210 . 9 1 1 A 61 61 GLU H H 146 7.737 8.588 -0.851 1 1 211 . 9 1 1 A 61 61 GLU HA H 146 3.590 4.151 -0.561 1 1 216 . 9 1 1 A 61 61 GLU CA C 146 59.607 60.194 -0.587 1 1 217 . 9 1 1 A 61 61 GLU CB C 146 30.059 29.257 0.802 1 1 219 . 9 1 1 A 61 61 GLU N N 146 118.985 119.404 -0.419 1 1 220 . 9 1 1 A 62 62 ASP H H 147 8.213 8.554 -0.341 1 1 221 . 9 1 1 A 62 62 ASP HA H 147 4.666 4.466 0.200 1 1 224 . 9 1 1 A 62 62 ASP CA C 147 58.292 57.406 0.886 1 1 225 . 9 1 1 A 62 62 ASP CB C 147 40.171 41.390 -1.219 1 1 226 . 9 1 1 A 62 62 ASP N N 147 119.785 119.975 -0.190 1 1 227 . 9 1 1 A 63 63 ARG H H 148 8.229 7.678 0.551 1 1 228 . 9 1 1 A 63 63 ARG HA H 148 4.016 3.971 0.045 1 1 236 . 9 1 1 A 63 63 ARG CA C 148 59.611 59.661 -0.050 1 1 237 . 9 1 1 A 63 63 ARG CB C 148 30.059 29.905 0.154 1 1 240 . 9 1 1 A 63 63 ARG N N 148 120.339 119.017 1.322 1 1 242 . 9 1 1 A 64 64 TYR H H 149 8.340 8.083 0.257 1 1 243 . 9 1 1 A 64 64 TYR HA H 149 3.829 4.336 -0.507 1 1 250 . 9 1 1 A 64 64 TYR CA C 149 61.991 60.573 1.418 1 1 251 . 9 1 1 A 64 64 TYR CB C 149 38.417 38.333 0.084 1 1 254 . 9 1 1 A 64 64 TYR N N 149 121.093 120.146 0.947 1 1 255 . 9 1 1 A 65 65 TYR H H 150 8.979 8.741 0.238 1 1 256 . 9 1 1 A 65 65 TYR HA H 150 4.132 4.291 -0.159 1 1 263 . 9 1 1 A 65 65 TYR CA C 150 62.691 61.407 1.284 1 1 264 . 9 1 1 A 65 65 TYR CB C 150 38.025 39.041 -1.016 1 1 267 . 9 1 1 A 65 65 TYR N N 150 120.575 120.751 -0.176 1 1 268 . 9 1 1 A 66 66 ARG H H 151 7.997 8.214 -0.217 1 1 269 . 9 1 1 A 66 66 ARG HA H 151 3.925 4.074 -0.149 1 1 277 . 9 1 1 A 66 66 ARG CA C 151 60.050 59.305 0.745 1 1 278 . 9 1 1 A 66 66 ARG CB C 151 29.901 29.651 0.250 1 1 281 . 9 1 1 A 66 66 ARG N N 151 117.799 119.699 -1.900 1 1 283 . 9 1 1 A 67 67 GLU H H 152 8.076 8.307 -0.231 1 1 284 . 9 1 1 A 67 67 GLU HA H 152 4.082 4.139 -0.057 1 1 289 . 9 1 1 A 67 67 GLU CA C 152 58.125 57.994 0.131 1 1 290 . 9 1 1 A 67 67 GLU CB C 152 29.743 30.166 -0.423 1 1 292 . 9 1 1 A 67 67 GLU N N 152 116.601 117.436 -0.835 1 1 293 . 9 1 1 A 68 68 ASN H H 153 7.621 8.016 -0.395 1 1 294 . 9 1 1 A 68 68 ASN HA H 153 4.321 4.978 -0.657 1 1 299 . 9 1 1 A 68 68 ASN CA C 153 54.958 54.796 0.162 1 1 300 . 9 1 1 A 68 68 ASN CB C 153 41.041 39.019 2.022 1 1 301 . 9 1 1 A 68 68 ASN N N 153 114.623 116.857 -2.234 1 1 303 . 9 1 1 A 69 69 MET H H 154 8.105 8.314 -0.209 1 1 304 . 9 1 1 A 69 69 MET HA H 154 3.458 4.080 -0.622 1 1 312 . 9 1 1 A 69 69 MET CA C 154 59.104 58.126 0.978 1 1 313 . 9 1 1 A 69 69 MET CB C 154 30.533 32.174 -1.641 1 1 316 . 9 1 1 A 69 69 MET N N 154 119.633 118.004 1.629 1 1 317 . 9 1 1 A 70 70 HIS H H 155 8.070 8.316 -0.246 1 1 319 . 9 1 1 A 70 70 HIS CA C 155 57.650 58.849 -1.199 1 1 320 . 9 1 1 A 70 70 HIS CB C 155 27.591 28.710 -1.119 1 1 322 . 9 1 1 A 70 70 HIS N N 155 115.018 116.509 -1.491 1 1 323 . 9 1 1 A 71 71 ARG H H 156 7.618 7.918 -0.300 1 1 325 . 9 1 1 A 71 71 ARG CA C 156 56.278 55.380 0.898 1 1 326 . 9 1 1 A 71 71 ARG CB C 156 30.770 30.237 0.533 1 1 329 . 9 1 1 A 71 71 ARG N N 156 118.197 118.025 0.172 1 1 331 . 9 1 1 A 72 72 TYR H H 157 7.473 8.171 -0.698 1 1 332 . 9 1 1 A 72 72 TYR HA H 157 5.034 4.622 0.412 1 1 339 . 9 1 1 A 72 72 TYR CA C 157 52.768 56.584 -3.816 1 1 340 . 9 1 1 A 72 72 TYR CB C 157 35.150 38.436 -3.286 1 1 343 . 9 1 1 A 72 72 TYR N N 157 120.873 118.916 1.957 1 1 344 . 9 1 1 A 73 73 PRO HA H 158 4.425 4.569 -0.144 1 1 351 . 9 1 1 A 73 73 PRO CA C 158 63.737 62.497 1.240 1 1 352 . 9 1 1 A 73 73 PRO CB C 158 32.071 31.842 0.229 1 1 355 . 9 1 1 A 74 74 ASN H H 159 8.562 8.548 0.014 1 1 356 . 9 1 1 A 74 74 ASN HA H 159 4.708 4.758 -0.050 1 1 361 . 9 1 1 A 74 74 ASN CA C 159 51.965 51.818 0.147 1 1 362 . 9 1 1 A 74 74 ASN CB C 159 37.898 39.052 -1.154 1 1 363 . 9 1 1 A 74 74 ASN N N 159 116.213 121.371 -5.158 1 1 365 . 9 1 1 A 75 75 GLN H H 160 7.302 7.380 -0.078 1 1 366 . 9 1 1 A 75 75 GLN HA H 160 4.479 4.546 -0.067 1 1 371 . 9 1 1 A 75 75 GLN CA C 160 54.184 55.497 -1.313 1 1 372 . 9 1 1 A 75 75 GLN CB C 160 34.167 32.876 1.291 1 1 373 . 9 1 1 A 75 75 GLN N N 160 114.122 118.477 -4.355 1 1 375 . 9 1 1 A 76 76 VAL H H 161 8.635 8.372 0.263 1 1 376 . 9 1 1 A 76 76 VAL HA H 161 4.916 4.887 0.029 1 1 384 . 9 1 1 A 76 76 VAL CA C 161 58.557 59.257 -0.700 1 1 385 . 9 1 1 A 76 76 VAL CB C 161 33.635 35.701 -2.066 1 1 388 . 9 1 1 A 76 76 VAL N N 161 112.903 117.408 -4.505 1 1 389 . 9 1 1 A 77 77 TYR H H 162 8.554 8.853 -0.299 1 1 390 . 9 1 1 A 77 77 TYR HA H 162 5.440 5.096 0.344 1 1 397 . 9 1 1 A 77 77 TYR CA C 162 57.057 56.755 0.302 1 1 398 . 9 1 1 A 77 77 TYR CB C 162 42.147 42.534 -0.387 1 1 401 . 9 1 1 A 77 77 TYR N N 162 120.972 120.814 0.158 1 1 402 . 9 1 1 A 78 78 TYR H H 163 8.686 8.719 -0.033 1 1 403 . 9 1 1 A 78 78 TYR HA H 163 4.797 5.399 -0.602 1 1 410 . 9 1 1 A 78 78 TYR CA C 163 55.484 55.898 -0.414 1 1 413 . 9 1 1 A 78 78 TYR N N 163 111.059 120.032 -8.973 1 1 429 . 9 1 1 A 86 86 ASN HA H 171 4.733 5.105 -0.372 1 1 434 . 9 1 1 A 86 86 ASN CA C 171 52.388 54.267 -1.879 1 1 435 . 9 1 1 A 86 86 ASN CB C 171 39.935 39.955 -0.020 1 1 437 . 9 1 1 A 87 87 GLN H H 172 8.740 8.140 0.600 1 1 440 . 9 1 1 A 87 87 GLN CA C 172 59.906 58.633 1.273 1 1 441 . 9 1 1 A 87 87 GLN CB C 172 29.065 28.340 0.725 1 1 443 . 9 1 1 A 87 87 GLN N N 172 121.279 117.274 4.005 1 1 445 . 9 1 1 A 88 88 ASN H H 173 8.427 8.185 0.242 1 1 446 . 9 1 1 A 88 88 ASN HA H 173 4.255 4.499 -0.244 1 1 451 . 9 1 1 A 88 88 ASN CA C 173 56.396 56.260 0.136 1 1 452 . 9 1 1 A 88 88 ASN CB C 173 37.912 38.215 -0.303 1 1 453 . 9 1 1 A 88 88 ASN N N 173 116.210 118.697 -2.487 1 1 455 . 9 1 1 A 89 89 ASN H H 174 8.542 7.806 0.736 1 1 456 . 9 1 1 A 89 89 ASN HA H 174 4.509 4.846 -0.337 1 1 461 . 9 1 1 A 89 89 ASN CA C 174 56.013 56.182 -0.169 1 1 462 . 9 1 1 A 89 89 ASN CB C 174 38.359 38.661 -0.302 1 1 463 . 9 1 1 A 89 89 ASN N N 174 118.573 117.432 1.141 1 1 465 . 9 1 1 A 90 90 PHE H H 175 8.113 8.103 0.010 1 1 466 . 9 1 1 A 90 90 PHE CA C 175 61.432 60.896 0.536 1 1 467 . 9 1 1 A 90 90 PHE N N 175 120.437 119.982 0.455 1 1 468 . 9 1 1 A 91 91 VAL H H 176 9.215 8.041 1.174 1 1 469 . 9 1 1 A 91 91 VAL HA H 176 3.608 3.577 0.031 1 1 477 . 9 1 1 A 91 91 VAL CA C 176 67.888 66.612 1.276 1 1 478 . 9 1 1 A 91 91 VAL CB C 176 32.042 31.268 0.774 1 1 480 . 9 1 1 A 91 91 VAL N N 176 120.071 119.729 0.342 1 1 481 . 9 1 1 A 92 92 HIS H H 177 8.497 7.627 0.870 1 1 482 . 9 1 1 A 92 92 HIS HA H 177 4.353 4.279 0.074 1 1 485 . 9 1 1 A 92 92 HIS CA C 177 59.251 59.867 -0.616 1 1 486 . 9 1 1 A 92 92 HIS CB C 177 28.104 30.029 -1.925 1 1 487 . 9 1 1 A 92 92 HIS N N 177 117.399 118.241 -0.842 1 1 488 . 9 1 1 A 93 93 ASN H H 178 7.860 7.923 -0.063 1 1 489 . 9 1 1 A 93 93 ASN HA H 178 4.521 4.428 0.093 1 1 494 . 9 1 1 A 93 93 ASN CA C 178 56.244 56.220 0.024 1 1 495 . 9 1 1 A 93 93 ASN CB C 178 37.934 37.354 0.580 1 1 496 . 9 1 1 A 93 93 ASN N N 178 116.474 116.611 -0.137 1 1 498 . 9 1 1 A 94 94 CYS H H 179 8.133 8.478 -0.345 1 1 499 . 9 1 1 A 94 94 CYS CA C 179 58.595 63.396 -4.801 1 1 500 . 9 1 1 A 94 94 CYS CB C 179 40.911 26.948 13.963 1 1 501 . 9 1 1 A 94 94 CYS N N 179 120.418 118.518 1.900 1 1 502 . 9 1 1 A 95 95 VAL H H 180 9.280 7.580 1.700 1 1 503 . 9 1 1 A 95 95 VAL HA H 180 3.654 3.572 0.082 1 1 511 . 9 1 1 A 95 95 VAL CA C 180 66.400 66.866 -0.466 1 1 512 . 9 1 1 A 95 95 VAL CB C 180 31.912 31.418 0.494 1 1 515 . 9 1 1 A 95 95 VAL N N 180 125.212 121.857 3.355 1 1 516 . 9 1 1 A 96 96 ASN H H 181 7.696 8.263 -0.567 1 1 517 . 9 1 1 A 96 96 ASN HA H 181 4.321 4.469 -0.148 1 1 522 . 9 1 1 A 96 96 ASN CA C 181 56.419 56.386 0.033 1 1 523 . 9 1 1 A 96 96 ASN CB C 181 38.654 38.340 0.314 1 1 524 . 9 1 1 A 96 96 ASN N N 181 115.816 118.262 -2.446 1 1 526 . 9 1 1 A 97 97 ILE H H 182 8.385 7.521 0.864 1 1 527 . 9 1 1 A 97 97 ILE HA H 182 3.726 3.692 0.034 1 1 537 . 9 1 1 A 97 97 ILE CA C 182 62.446 65.330 -2.884 1 1 538 . 9 1 1 A 97 97 ILE CB C 182 36.464 38.010 -1.546 1 1 542 . 9 1 1 A 97 97 ILE N N 182 118.191 120.266 -2.075 1 1 543 . 9 1 1 A 98 98 THR H H 183 8.157 8.092 0.065 1 1 544 . 9 1 1 A 98 98 THR HA H 183 4.078 4.071 0.007 1 1 549 . 9 1 1 A 98 98 THR CA C 183 68.807 67.041 1.766 1 1 550 . 9 1 1 A 98 98 THR CB C 183 68.239 68.415 -0.176 1 1 552 . 9 1 1 A 98 98 THR N N 183 117.797 117.714 0.083 1 1 553 . 9 1 1 A 99 99 ILE H H 184 8.528 7.561 0.967 1 1 554 . 9 1 1 A 99 99 ILE HA H 184 3.727 3.446 0.281 1 1 564 . 9 1 1 A 99 99 ILE CA C 184 65.621 65.454 0.167 1 1 565 . 9 1 1 A 99 99 ILE CB C 184 36.531 37.867 -1.336 1 1 569 . 9 1 1 A 99 99 ILE N N 184 120.576 121.212 -0.636 1 1 570 . 9 1 1 A 100 100 LYS H H 185 7.953 8.108 -0.155 1 1 571 . 9 1 1 A 100 100 LYS HA H 185 4.068 3.946 0.122 1 1 580 . 9 1 1 A 100 100 LYS CA C 185 59.636 59.825 -0.189 1 1 581 . 9 1 1 A 100 100 LYS CB C 185 31.989 32.559 -0.570 1 1 585 . 9 1 1 A 100 100 LYS N N 185 122.562 120.814 1.748 1 1 586 . 9 1 1 A 101 101 GLN H H 186 8.376 7.862 0.514 1 1 589 . 9 1 1 A 101 101 GLN CA C 186 57.741 58.767 -1.026 1 1 590 . 9 1 1 A 101 101 GLN N N 186 116.213 118.328 -2.115 1 1 592 . 9 1 1 A 102 102 HIS H H 187 8.199 8.092 0.107 1 1 593 . 9 1 1 A 102 102 HIS HA H 187 4.593 4.338 0.255 1 1 596 . 9 1 1 A 102 102 HIS CA C 187 59.062 59.041 0.021 1 1 597 . 9 1 1 A 102 102 HIS CB C 187 30.384 29.512 0.872 1 1 598 . 9 1 1 A 102 102 HIS N N 187 118.199 120.297 -2.098 1 1 599 . 9 1 1 A 103 103 THR H H 188 8.245 8.261 -0.016 1 1 600 . 9 1 1 A 103 103 THR HA H 188 4.184 4.227 -0.043 1 1 605 . 9 1 1 A 103 103 THR CA C 188 65.017 65.240 -0.223 1 1 606 . 9 1 1 A 103 103 THR CB C 188 69.167 68.942 0.225 1 1 608 . 9 1 1 A 103 103 THR N N 188 113.748 114.479 -0.731 1 1 609 . 9 1 1 A 104 104 VAL H H 189 8.013 7.935 0.078 1 1 610 . 9 1 1 A 104 104 VAL HA H 189 4.004 3.553 0.451 1 1 618 . 9 1 1 A 104 104 VAL CA C 189 65.151 66.808 -1.657 1 1 619 . 9 1 1 A 104 104 VAL CB C 189 31.743 31.666 0.077 1 1 622 . 9 1 1 A 104 104 VAL N N 189 122.142 121.008 1.134 1 1 623 . 9 1 1 A 105 105 THR H H 190 8.092 7.746 0.346 1 1 624 . 9 1 1 A 105 105 THR HA H 190 4.250 3.926 0.324 1 1 629 . 9 1 1 A 105 105 THR CA C 190 64.314 65.430 -1.116 1 1 630 . 9 1 1 A 105 105 THR CB C 190 69.159 68.424 0.735 1 1 632 . 9 1 1 A 105 105 THR N N 190 115.022 115.582 -0.560 1 1 633 . 9 1 1 A 106 106 THR H H 191 8.017 7.846 0.171 1 1 634 . 9 1 1 A 106 106 THR HA H 191 4.214 3.970 0.244 1 1 639 . 9 1 1 A 106 106 THR CA C 191 63.874 65.716 -1.842 1 1 640 . 9 1 1 A 106 106 THR CB C 191 69.009 68.473 0.536 1 1 642 . 9 1 1 A 106 106 THR N N 191 114.622 116.615 -1.993 1 1 643 . 9 1 1 A 107 107 THR H H 192 8.194 8.141 0.053 1 1 644 . 9 1 1 A 107 107 THR CA C 192 64.201 65.298 -1.097 1 1 645 . 9 1 1 A 107 107 THR CB C 192 69.159 68.320 0.839 1 1 647 . 9 1 1 A 107 107 THR N N 192 116.611 113.729 2.882 1 1 648 . 9 1 1 A 108 108 THR H H 193 7.932 8.063 -0.131 1 1 649 . 9 1 1 A 108 108 THR CA C 193 63.871 66.458 -2.587 1 1 650 . 9 1 1 A 108 108 THR CB C 193 69.002 68.757 0.245 1 1 652 . 9 1 1 A 108 108 THR N N 193 116.096 116.251 -0.155 1 1 653 . 9 1 1 A 109 109 LYS H H 194 7.821 7.832 -0.011 1 1 654 . 9 1 1 A 109 109 LYS HA H 194 4.364 4.500 -0.136 1 1 663 . 9 1 1 A 109 109 LYS CA C 194 56.285 56.081 0.204 1 1 664 . 9 1 1 A 109 109 LYS CB C 194 32.636 33.498 -0.862 1 1 668 . 9 1 1 A 109 109 LYS N N 194 120.975 119.225 1.750 1 1 669 . 9 1 1 A 110 110 GLY H H 195 8.109 8.027 0.082 1 1 670 . 9 1 1 A 110 110 GLY HA2 H 195 3.858 3.936 -0.078 1 1 671 . 9 1 1 A 110 110 GLY HA3 H 195 4.083 3.938 0.145 1 1 672 . 9 1 1 A 110 110 GLY CA C 195 45.511 46.643 -1.132 1 1 673 . 9 1 1 A 110 110 GLY N N 195 108.675 108.596 0.079 1 1 674 . 9 1 1 A 111 111 GLU H H 196 7.706 7.853 -0.147 1 1 675 . 9 1 1 A 111 111 GLU HA H 196 4.258 4.945 -0.687 1 1 680 . 9 1 1 A 111 111 GLU CA C 196 55.837 54.358 1.479 1 1 681 . 9 1 1 A 111 111 GLU CB C 196 30.673 33.886 -3.213 1 1 683 . 9 1 1 A 111 111 GLU N N 196 120.028 118.989 1.039 1 1 684 . 9 1 1 A 112 112 ASN H H 197 8.460 8.555 -0.095 1 1 685 . 9 1 1 A 112 112 ASN HA H 197 4.668 5.352 -0.684 1 1 690 . 9 1 1 A 112 112 ASN CA C 197 52.923 51.718 1.205 1 1 691 . 9 1 1 A 112 112 ASN CB C 197 40.491 41.461 -0.970 1 1 692 . 9 1 1 A 112 112 ASN N N 197 119.716 118.714 1.002 1 1 694 . 9 1 1 A 113 113 PHE H H 198 8.655 8.281 0.374 1 1 695 . 9 1 1 A 113 113 PHE HA H 198 5.262 5.734 -0.472 1 1 698 . 9 1 1 A 113 113 PHE CA C 198 56.640 55.328 1.312 1 1 699 . 9 1 1 A 113 113 PHE CB C 198 39.899 42.277 -2.378 1 1 700 . 9 1 1 A 113 113 PHE N N 198 122.046 117.225 4.821 1 1 701 . 9 1 1 A 114 114 THR H H 199 9.506 8.842 0.664 1 1 702 . 9 1 1 A 114 114 THR HA H 199 4.625 4.705 -0.080 1 1 707 . 9 1 1 A 114 114 THR CA C 199 60.305 60.516 -0.211 1 1 708 . 9 1 1 A 114 114 THR CB C 199 72.033 71.249 0.784 1 1 710 . 9 1 1 A 114 114 THR N N 199 116.124 114.005 2.119 1 1 711 . 9 1 1 A 115 115 GLU H H 200 9.120 9.094 0.026 1 1 712 . 9 1 1 A 115 115 GLU HA H 200 4.051 4.112 -0.061 1 1 717 . 9 1 1 A 115 115 GLU CA C 200 59.877 59.596 0.281 1 1 718 . 9 1 1 A 115 115 GLU CB C 200 28.787 29.185 -0.398 1 1 720 . 9 1 1 A 115 115 GLU N N 200 119.993 121.610 -1.617 1 1 721 . 9 1 1 A 116 116 THR H H 201 7.955 7.672 0.283 1 1 722 . 9 1 1 A 116 116 THR HA H 201 3.794 4.109 -0.315 1 1 727 . 9 1 1 A 116 116 THR CA C 201 66.734 66.559 0.175 1 1 728 . 9 1 1 A 116 116 THR CB C 201 68.624 69.125 -0.501 1 1 730 . 9 1 1 A 116 116 THR N N 201 116.160 117.421 -1.261 1 1 731 . 9 1 1 A 117 117 ASP H H 202 7.505 7.968 -0.463 1 1 732 . 9 1 1 A 117 117 ASP HA H 202 4.577 4.393 0.184 1 1 735 . 9 1 1 A 117 117 ASP CA C 202 58.057 57.377 0.680 1 1 736 . 9 1 1 A 117 117 ASP CB C 202 41.747 41.111 0.636 1 1 737 . 9 1 1 A 117 117 ASP N N 202 120.175 121.334 -1.159 1 1 738 . 9 1 1 A 118 118 VAL H H 203 8.236 8.636 -0.400 1 1 739 . 9 1 1 A 118 118 VAL HA H 203 3.324 3.829 -0.505 1 1 747 . 9 1 1 A 118 118 VAL CA C 203 67.799 64.901 2.898 1 1 748 . 9 1 1 A 118 118 VAL CB C 203 31.269 31.298 -0.029 1 1 751 . 9 1 1 A 118 118 VAL N N 203 119.654 118.596 1.058 1 1 752 . 9 1 1 A 119 119 LYS H H 204 7.740 7.815 -0.075 1 1 753 . 9 1 1 A 119 119 LYS HA H 204 4.090 4.102 -0.012 1 1 762 . 9 1 1 A 119 119 LYS CA C 204 59.368 59.479 -0.111 1 1 763 . 9 1 1 A 119 119 LYS CB C 204 32.165 32.287 -0.122 1 1 767 . 9 1 1 A 119 119 LYS N N 204 119.288 122.690 -3.402 1 1 768 . 9 1 1 A 120 120 MET H H 205 8.235 8.003 0.232 1 1 769 . 9 1 1 A 120 120 MET HA H 205 4.158 4.304 -0.146 1 1 777 . 9 1 1 A 120 120 MET CA C 205 59.819 58.469 1.350 1 1 778 . 9 1 1 A 120 120 MET CB C 205 33.078 32.723 0.355 1 1 781 . 9 1 1 A 120 120 MET N N 205 118.767 119.387 -0.620 1 1 782 . 9 1 1 A 121 121 MET H H 206 8.755 8.049 0.706 1 1 783 . 9 1 1 A 121 121 MET HA H 206 3.580 4.357 -0.777 1 1 791 . 9 1 1 A 121 121 MET CA C 206 59.639 58.353 1.286 1 1 792 . 9 1 1 A 121 121 MET CB C 206 32.777 31.980 0.797 1 1 795 . 9 1 1 A 121 121 MET N N 206 118.428 118.276 0.152 1 1 796 . 9 1 1 A 122 122 GLU H H 207 8.419 8.071 0.348 1 1 797 . 9 1 1 A 122 122 GLU HA H 207 3.688 3.869 -0.181 1 1 802 . 9 1 1 A 122 122 GLU CA C 207 60.390 59.385 1.005 1 1 803 . 9 1 1 A 122 122 GLU CB C 207 28.448 29.376 -0.928 1 1 805 . 9 1 1 A 122 122 GLU N N 207 118.469 118.447 0.022 1 1 806 . 9 1 1 A 123 123 ARG H H 208 7.344 7.538 -0.194 1 1 807 . 9 1 1 A 123 123 ARG HA H 208 4.163 4.098 0.065 1 1 815 . 9 1 1 A 123 123 ARG CA C 208 58.537 58.841 -0.304 1 1 816 . 9 1 1 A 123 123 ARG CB C 208 29.925 30.005 -0.080 1 1 819 . 9 1 1 A 123 123 ARG N N 208 116.990 120.628 -3.638 1 1 821 . 9 1 1 A 124 124 VAL H H 209 8.299 7.759 0.540 1 1 822 . 9 1 1 A 124 124 VAL HA H 209 3.798 3.726 0.072 1 1 830 . 9 1 1 A 124 124 VAL CA C 209 65.995 66.119 -0.124 1 1 831 . 9 1 1 A 124 124 VAL CB C 209 32.075 31.592 0.483 1 1 834 . 9 1 1 A 124 124 VAL N N 209 119.301 120.067 -0.766 1 1 835 . 9 1 1 A 125 125 VAL H H 210 9.016 7.774 1.242 1 1 836 . 9 1 1 A 125 125 VAL HA H 210 3.643 3.499 0.144 1 1 844 . 9 1 1 A 125 125 VAL CA C 210 66.591 66.600 -0.009 1 1 845 . 9 1 1 A 125 125 VAL CB C 210 31.836 31.385 0.451 1 1 848 . 9 1 1 A 125 125 VAL N N 210 121.312 120.567 0.745 1 1 849 . 9 1 1 A 126 126 GLU H H 211 8.153 7.676 0.477 1 1 850 . 9 1 1 A 126 126 GLU HA H 211 3.622 3.954 -0.332 1 1 855 . 9 1 1 A 126 126 GLU CA C 211 60.997 59.272 1.725 1 1 856 . 9 1 1 A 126 126 GLU CB C 211 28.921 29.490 -0.569 1 1 858 . 9 1 1 A 126 126 GLU N N 211 120.456 119.461 0.995 1 1 859 . 9 1 1 A 127 127 GLN H H 212 7.274 7.719 -0.445 1 1 862 . 9 1 1 A 127 127 GLN CA C 212 58.803 58.731 0.072 1 1 863 . 9 1 1 A 127 127 GLN N N 212 115.025 119.287 -4.262 1 1 865 . 9 1 1 A 128 128 MET H H 213 8.324 7.778 0.546 1 1 866 . 9 1 1 A 128 128 MET HA H 213 4.146 4.099 0.047 1 1 872 . 9 1 1 A 128 128 MET CA C 213 59.976 58.412 1.564 1 1 873 . 9 1 1 A 128 128 MET CB C 213 31.911 32.664 -0.753 1 1 875 . 9 1 1 A 128 128 MET N N 213 119.344 119.412 -0.068 1 1 876 . 9 1 1 A 129 129 CYS H H 214 9.219 7.768 1.451 1 1 877 . 9 1 1 A 129 129 CYS CA C 214 59.821 63.534 -3.713 1 1 878 . 9 1 1 A 129 129 CYS N N 214 118.992 117.914 1.078 1 1 879 . 9 1 1 A 130 130 ILE H H 215 8.340 7.338 1.002 1 1 880 . 9 1 1 A 130 130 ILE HA H 215 3.563 3.785 -0.222 1 1 890 . 9 1 1 A 130 130 ILE CA C 215 66.751 64.107 2.644 1 1 891 . 9 1 1 A 130 130 ILE CB C 215 37.814 36.182 1.632 1 1 895 . 9 1 1 A 130 130 ILE N N 215 123.750 121.307 2.443 1 1 896 . 9 1 1 A 131 131 THR H H 216 8.142 7.893 0.249 1 1 897 . 9 1 1 A 131 131 THR HA H 216 3.940 3.802 0.138 1 1 902 . 9 1 1 A 131 131 THR CA C 216 66.898 67.180 -0.282 1 1 903 . 9 1 1 A 131 131 THR CB C 216 69.608 68.021 1.587 1 1 905 . 9 1 1 A 131 131 THR N N 216 118.528 118.030 0.498 1 1 906 . 9 1 1 A 132 132 GLN H H 217 8.687 7.981 0.706 1 1 907 . 9 1 1 A 132 132 GLN HA H 217 3.688 3.961 -0.273 1 1 914 . 9 1 1 A 132 132 GLN CA C 217 58.527 58.497 0.030 1 1 915 . 9 1 1 A 132 132 GLN CB C 217 28.353 28.157 0.196 1 1 917 . 9 1 1 A 132 132 GLN N N 217 121.765 118.648 3.117 1 1 919 . 9 1 1 A 133 133 TYR HA H 218 4.532 4.784 -0.252 1 1 926 . 9 1 1 A 133 133 TYR CA C 218 55.867 57.359 -1.492 1 1 927 . 9 1 1 A 133 133 TYR CB C 218 37.912 39.180 -1.268 1 1 930 . 9 1 1 A 134 134 GLU H H 219 8.293 9.283 -0.990 1 1 931 . 9 1 1 A 134 134 GLU HA H 219 3.689 4.023 -0.334 1 1 936 . 9 1 1 A 134 134 GLU CA C 219 59.268 59.953 -0.685 1 1 937 . 9 1 1 A 134 134 GLU CB C 219 28.324 29.771 -1.447 1 1 939 . 9 1 1 A 134 134 GLU N N 219 120.400 125.856 -5.456 1 1 940 . 9 1 1 A 135 135 ARG H H 220 7.887 8.078 -0.191 1 1 941 . 9 1 1 A 135 135 ARG HA H 220 3.981 3.971 0.010 1 1 949 . 9 1 1 A 135 135 ARG CA C 220 59.266 59.508 -0.242 1 1 950 . 9 1 1 A 135 135 ARG CB C 220 30.337 29.928 0.409 1 1 953 . 9 1 1 A 135 135 ARG N N 220 118.589 120.238 -1.649 1 1 955 . 9 1 1 A 137 137 SER HA H 222 3.954 4.254 -0.300 1 1 958 . 9 1 1 A 137 137 SER CA C 222 60.572 61.370 -0.798 1 1 959 . 9 1 1 A 137 137 SER CB C 222 62.761 62.414 0.347 1 1 960 . 9 1 1 A 138 138 GLN H H 223 7.624 7.562 0.062 1 1 961 . 9 1 1 A 138 138 GLN HA H 223 4.153 4.086 0.067 1 1 968 . 9 1 1 A 138 138 GLN CA C 223 57.658 58.737 -1.079 1 1 969 . 9 1 1 A 138 138 GLN CB C 223 28.370 28.715 -0.345 1 1 971 . 9 1 1 A 138 138 GLN N N 223 120.575 121.509 -0.934 1 1 973 . 9 1 1 A 139 139 ALA H H 224 7.627 7.704 -0.077 1 1 974 . 9 1 1 A 139 139 ALA HA H 224 4.156 4.196 -0.040 1 1 978 . 9 1 1 A 139 139 ALA CA C 224 54.017 54.940 -0.923 1 1 979 . 9 1 1 A 139 139 ALA CB C 224 18.645 18.202 0.443 1 1 980 . 9 1 1 A 139 139 ALA N N 224 121.263 122.377 -1.114 1 1 981 . 9 1 1 A 140 140 TYR H H 225 8.048 7.731 0.317 1 1 982 . 9 1 1 A 140 140 TYR HA H 225 4.204 4.252 -0.048 1 1 989 . 9 1 1 A 140 140 TYR CA C 225 59.890 61.564 -1.674 1 1 990 . 9 1 1 A 140 140 TYR CB C 225 38.994 38.503 0.491 1 1 993 . 9 1 1 A 140 140 TYR N N 225 118.980 120.830 -1.850 1 1 994 . 9 1 1 A 141 141 TYR H H 226 7.948 7.888 0.060 1 1 995 . 9 1 1 A 141 141 TYR HA H 226 4.375 4.203 0.172 1 1 1002 . 9 1 1 A 141 141 TYR CA C 226 59.036 61.376 -2.340 1 1 1003 . 9 1 1 A 141 141 TYR CB C 226 38.060 38.203 -0.143 1 1 1006 . 9 1 1 A 141 141 TYR N N 226 118.596 117.609 0.987 1 1 1007 . 9 1 1 A 142 142 GLN H H 227 7.941 7.612 0.329 1 1 1008 . 9 1 1 A 142 142 GLN HA H 227 4.240 4.503 -0.263 1 1 1015 . 9 1 1 A 142 142 GLN CA C 227 56.346 55.568 0.778 1 1 1016 . 9 1 1 A 142 142 GLN CB C 227 28.912 30.722 -1.810 1 1 1018 . 9 1 1 A 142 142 GLN N N 227 119.883 117.936 1.947 1 1 1020 . 9 1 1 A 143 143 ARG H H 228 7.966 8.581 -0.615 1 1 1021 . 9 1 1 A 143 143 ARG HA H 228 4.244 4.822 -0.578 1 1 1029 . 9 1 1 A 143 143 ARG CA C 228 56.719 54.680 2.039 1 1 1030 . 9 1 1 A 143 143 ARG CB C 228 30.731 33.012 -2.281 1 1 1033 . 9 1 1 A 143 143 ARG N N 228 120.871 119.630 1.241 1 1 1035 . 9 1 1 A 144 144 GLY H H 229 8.247 8.403 -0.156 1 1 1036 . 9 1 1 A 144 144 GLY HA2 H 229 3.992 3.857 0.135 1 1 1037 . 9 1 1 A 144 144 GLY HA3 H 229 3.992 3.858 0.134 1 1 1038 . 9 1 1 A 144 144 GLY CA C 229 45.359 46.445 -1.086 1 1 1039 . 9 1 1 A 144 144 GLY N N 229 109.072 108.899 0.173 1 1 1040 . 9 1 1 A 145 145 SER H H 230 8.139 8.594 -0.455 1 1 1041 . 9 1 1 A 145 145 SER HA H 230 4.506 4.272 0.234 1 1 1044 . 9 1 1 A 145 145 SER CA C 230 58.123 61.020 -2.897 1 1 1045 . 9 1 1 A 145 145 SER CB C 230 63.878 61.987 1.891 1 1 1046 . 9 1 1 A 145 145 SER N N 230 115.684 117.715 -2.031 1 1 16 . 10 1 1 A 41 41 GLY H H 126 8.484 8.228 0.256 1 1 17 . 10 1 1 A 41 41 GLY HA2 H 126 3.861 3.907 -0.046 1 1 18 . 10 1 1 A 41 41 GLY HA3 H 126 3.920 3.914 0.006 1 1 19 . 10 1 1 A 41 41 GLY CA C 126 46.260 46.337 -0.077 1 1 20 . 10 1 1 A 41 41 GLY N N 126 109.470 106.281 3.189 1 1 21 . 10 1 1 A 42 42 GLY H H 127 8.326 7.910 0.416 1 1 22 . 10 1 1 A 42 42 GLY HA2 H 127 3.749 4.037 -0.288 1 1 23 . 10 1 1 A 42 42 GLY HA3 H 127 3.900 4.103 -0.203 1 1 24 . 10 1 1 A 42 42 GLY CA C 127 45.226 45.977 -0.751 1 1 25 . 10 1 1 A 42 42 GLY N N 127 109.020 108.315 0.705 1 1 26 . 10 1 1 A 43 43 TYR H H 128 7.692 7.862 -0.170 1 1 27 . 10 1 1 A 43 43 TYR HA H 128 4.675 4.165 0.510 1 1 34 . 10 1 1 A 43 43 TYR CA C 128 57.271 58.310 -1.039 1 1 35 . 10 1 1 A 43 43 TYR CB C 128 40.257 36.776 3.481 1 1 38 . 10 1 1 A 43 43 TYR N N 128 117.301 115.816 1.485 1 1 39 . 10 1 1 A 44 44 VAL H H 129 8.974 8.205 0.769 1 1 40 . 10 1 1 A 44 44 VAL HA H 129 4.344 4.216 0.128 1 1 48 . 10 1 1 A 44 44 VAL CA C 129 59.555 62.952 -3.397 1 1 49 . 10 1 1 A 44 44 VAL CB C 129 34.728 32.768 1.960 1 1 52 . 10 1 1 A 44 44 VAL N N 129 118.589 122.681 -4.092 1 1 53 . 10 1 1 A 45 45 LEU H H 130 8.029 8.768 -0.739 1 1 62 . 10 1 1 A 45 45 LEU N N 130 123.350 127.019 -3.669 1 1 63 . 10 1 1 A 46 46 GLY H H 131 9.278 8.271 1.007 1 1 64 . 10 1 1 A 46 46 GLY CA C 131 44.842 45.630 -0.788 1 1 65 . 10 1 1 A 46 46 GLY N N 131 114.623 111.839 2.784 1 1 66 . 10 1 1 A 47 47 SER H H 132 8.315 8.209 0.106 1 1 67 . 10 1 1 A 47 47 SER HA H 132 4.438 4.448 -0.010 1 1 70 . 10 1 1 A 47 47 SER CA C 132 58.520 58.805 -0.285 1 1 71 . 10 1 1 A 47 47 SER CB C 132 64.166 62.674 1.492 1 1 72 . 10 1 1 A 47 47 SER N N 132 113.038 115.613 -2.575 1 1 73 . 10 1 1 A 48 48 ALA H H 133 8.736 8.198 0.538 1 1 74 . 10 1 1 A 48 48 ALA HA H 133 4.425 4.584 -0.159 1 1 78 . 10 1 1 A 48 48 ALA CA C 133 53.090 50.453 2.637 1 1 79 . 10 1 1 A 48 48 ALA CB C 133 18.465 21.124 -2.659 1 1 80 . 10 1 1 A 48 48 ALA N N 133 125.270 125.313 -0.043 1 1 81 . 10 1 1 A 49 49 MET H H 134 8.758 8.695 0.063 1 1 82 . 10 1 1 A 49 49 MET HA H 134 4.754 4.925 -0.171 1 1 90 . 10 1 1 A 49 49 MET CA C 134 53.972 53.926 0.046 1 1 91 . 10 1 1 A 49 49 MET CB C 134 37.222 34.193 3.029 1 1 94 . 10 1 1 A 49 49 MET N N 134 120.911 117.304 3.607 1 1 95 . 10 1 1 A 50 50 SER H H 135 8.430 8.728 -0.298 1 1 96 . 10 1 1 A 50 50 SER HA H 135 4.356 4.744 -0.388 1 1 99 . 10 1 1 A 50 50 SER CA C 135 58.630 57.812 0.818 1 1 100 . 10 1 1 A 50 50 SER CB C 135 63.575 64.316 -0.741 1 1 101 . 10 1 1 A 50 50 SER N N 135 116.162 114.416 1.746 1 1 102 . 10 1 1 A 51 51 ARG H H 136 8.646 8.877 -0.231 1 1 103 . 10 1 1 A 51 51 ARG HA H 136 4.434 3.831 0.603 1 1 111 . 10 1 1 A 51 51 ARG CA C 136 54.863 56.572 -1.709 1 1 112 . 10 1 1 A 51 51 ARG CB C 136 30.519 28.512 2.007 1 1 115 . 10 1 1 A 51 51 ARG N N 136 126.460 117.489 8.971 1 1 117 . 10 1 1 A 52 52 PRO HA H 137 4.413 4.541 -0.128 1 1 124 . 10 1 1 A 52 52 PRO CA C 137 62.198 64.644 -2.446 1 1 125 . 10 1 1 A 52 52 PRO CB C 137 32.165 31.888 0.277 1 1 128 . 10 1 1 A 53 53 ILE H H 138 8.647 7.644 1.003 1 1 129 . 10 1 1 A 53 53 ILE HA H 138 4.160 4.164 -0.004 1 1 139 . 10 1 1 A 53 53 ILE CA C 138 60.851 60.812 0.039 1 1 140 . 10 1 1 A 53 53 ILE CB C 138 36.101 37.341 -1.240 1 1 144 . 10 1 1 A 53 53 ILE N N 138 122.534 118.088 4.446 1 1 145 . 10 1 1 A 54 54 ILE H H 139 6.485 8.679 -2.194 1 1 146 . 10 1 1 A 54 54 ILE HA H 139 3.926 4.318 -0.392 1 1 156 . 10 1 1 A 54 54 ILE CA C 139 58.665 61.046 -2.381 1 1 157 . 10 1 1 A 54 54 ILE CB C 139 39.251 39.488 -0.237 1 1 161 . 10 1 1 A 54 54 ILE N N 139 126.733 129.567 -2.834 1 1 162 . 10 1 1 A 55 55 HIS H H 140 8.249 8.480 -0.231 1 1 163 . 10 1 1 A 55 55 HIS HA H 140 4.935 4.060 0.875 1 1 167 . 10 1 1 A 55 55 HIS CA C 140 54.209 56.807 -2.598 1 1 168 . 10 1 1 A 55 55 HIS CB C 140 29.326 29.534 -0.208 1 1 170 . 10 1 1 A 55 55 HIS N N 140 122.048 125.091 -3.043 1 1 171 . 10 1 1 A 56 56 PHE H H 141 10.205 8.120 2.085 1 1 172 . 10 1 1 A 56 56 PHE HA H 141 4.360 3.836 0.524 1 1 175 . 10 1 1 A 56 56 PHE CA C 141 59.367 60.800 -1.433 1 1 176 . 10 1 1 A 56 56 PHE CB C 141 41.594 39.081 2.513 1 1 177 . 10 1 1 A 56 56 PHE N N 141 124.145 123.984 0.161 1 1 178 . 10 1 1 A 57 57 GLY H H 142 9.008 8.623 0.385 1 1 179 . 10 1 1 A 57 57 GLY HA2 H 142 3.835 4.029 -0.194 1 1 180 . 10 1 1 A 57 57 GLY HA3 H 142 4.168 4.035 0.133 1 1 181 . 10 1 1 A 57 57 GLY CA C 142 45.777 45.513 0.264 1 1 182 . 10 1 1 A 57 57 GLY N N 142 108.268 108.076 0.192 1 1 183 . 10 1 1 A 58 58 SER H H 143 7.327 7.973 -0.646 1 1 184 . 10 1 1 A 58 58 SER HA H 143 4.820 4.866 -0.046 1 1 187 . 10 1 1 A 58 58 SER CA C 143 56.405 57.477 -1.072 1 1 188 . 10 1 1 A 58 58 SER CB C 143 66.034 65.862 0.172 1 1 189 . 10 1 1 A 58 58 SER N N 143 111.827 115.544 -3.717 1 1 190 . 10 1 1 A 59 59 ASP H H 144 9.051 9.089 -0.038 1 1 191 . 10 1 1 A 59 59 ASP HA H 144 4.502 4.141 0.361 1 1 194 . 10 1 1 A 59 59 ASP CA C 144 57.676 56.748 0.928 1 1 195 . 10 1 1 A 59 59 ASP CB C 144 40.505 40.027 0.478 1 1 196 . 10 1 1 A 59 59 ASP N N 144 124.541 126.559 -2.018 1 1 197 . 10 1 1 A 60 60 TYR H H 145 8.571 7.561 1.010 1 1 198 . 10 1 1 A 60 60 TYR HA H 145 4.197 4.254 -0.057 1 1 205 . 10 1 1 A 60 60 TYR CA C 145 61.232 61.323 -0.091 1 1 206 . 10 1 1 A 60 60 TYR CB C 145 37.912 37.865 0.047 1 1 209 . 10 1 1 A 60 60 TYR N N 145 118.914 118.820 0.094 1 1 210 . 10 1 1 A 61 61 GLU H H 146 7.737 8.529 -0.792 1 1 211 . 10 1 1 A 61 61 GLU HA H 146 3.590 4.212 -0.622 1 1 216 . 10 1 1 A 61 61 GLU CA C 146 59.607 59.678 -0.071 1 1 217 . 10 1 1 A 61 61 GLU CB C 146 30.059 29.176 0.883 1 1 219 . 10 1 1 A 61 61 GLU N N 146 118.985 119.290 -0.305 1 1 220 . 10 1 1 A 62 62 ASP H H 147 8.213 8.647 -0.434 1 1 221 . 10 1 1 A 62 62 ASP HA H 147 4.666 4.374 0.292 1 1 224 . 10 1 1 A 62 62 ASP CA C 147 58.292 57.273 1.019 1 1 225 . 10 1 1 A 62 62 ASP CB C 147 40.171 41.701 -1.530 1 1 226 . 10 1 1 A 62 62 ASP N N 147 119.785 119.850 -0.065 1 1 227 . 10 1 1 A 63 63 ARG H H 148 8.229 7.932 0.297 1 1 228 . 10 1 1 A 63 63 ARG HA H 148 4.016 3.991 0.025 1 1 236 . 10 1 1 A 63 63 ARG CA C 148 59.611 59.756 -0.145 1 1 237 . 10 1 1 A 63 63 ARG CB C 148 30.059 29.938 0.121 1 1 240 . 10 1 1 A 63 63 ARG N N 148 120.339 119.022 1.317 1 1 242 . 10 1 1 A 64 64 TYR H H 149 8.340 8.451 -0.111 1 1 243 . 10 1 1 A 64 64 TYR HA H 149 3.829 4.320 -0.491 1 1 250 . 10 1 1 A 64 64 TYR CA C 149 61.991 61.006 0.985 1 1 251 . 10 1 1 A 64 64 TYR CB C 149 38.417 38.133 0.284 1 1 254 . 10 1 1 A 64 64 TYR N N 149 121.093 121.520 -0.427 1 1 255 . 10 1 1 A 65 65 TYR H H 150 8.979 8.375 0.604 1 1 256 . 10 1 1 A 65 65 TYR HA H 150 4.132 4.103 0.029 1 1 263 . 10 1 1 A 65 65 TYR CA C 150 62.691 61.432 1.259 1 1 264 . 10 1 1 A 65 65 TYR CB C 150 38.025 38.627 -0.602 1 1 267 . 10 1 1 A 65 65 TYR N N 150 120.575 120.819 -0.244 1 1 268 . 10 1 1 A 66 66 ARG H H 151 7.997 8.219 -0.222 1 1 269 . 10 1 1 A 66 66 ARG HA H 151 3.925 3.911 0.014 1 1 277 . 10 1 1 A 66 66 ARG CA C 151 60.050 59.128 0.922 1 1 278 . 10 1 1 A 66 66 ARG CB C 151 29.901 29.638 0.263 1 1 281 . 10 1 1 A 66 66 ARG N N 151 117.799 120.089 -2.290 1 1 283 . 10 1 1 A 67 67 GLU H H 152 8.076 7.628 0.448 1 1 284 . 10 1 1 A 67 67 GLU HA H 152 4.082 4.018 0.064 1 1 289 . 10 1 1 A 67 67 GLU CA C 152 58.125 58.297 -0.172 1 1 290 . 10 1 1 A 67 67 GLU CB C 152 29.743 29.667 0.076 1 1 292 . 10 1 1 A 67 67 GLU N N 152 116.601 117.293 -0.692 1 1 293 . 10 1 1 A 68 68 ASN H H 153 7.621 7.748 -0.127 1 1 294 . 10 1 1 A 68 68 ASN HA H 153 4.321 4.749 -0.428 1 1 299 . 10 1 1 A 68 68 ASN CA C 153 54.958 54.481 0.477 1 1 300 . 10 1 1 A 68 68 ASN CB C 153 41.041 39.320 1.721 1 1 301 . 10 1 1 A 68 68 ASN N N 153 114.623 116.168 -1.545 1 1 303 . 10 1 1 A 69 69 MET H H 154 8.105 7.964 0.141 1 1 304 . 10 1 1 A 69 69 MET HA H 154 3.458 3.520 -0.062 1 1 312 . 10 1 1 A 69 69 MET CA C 154 59.104 57.856 1.248 1 1 313 . 10 1 1 A 69 69 MET CB C 154 30.533 32.068 -1.535 1 1 316 . 10 1 1 A 69 69 MET N N 154 119.633 117.932 1.701 1 1 317 . 10 1 1 A 70 70 HIS H H 155 8.070 8.206 -0.136 1 1 319 . 10 1 1 A 70 70 HIS CA C 155 57.650 58.758 -1.108 1 1 320 . 10 1 1 A 70 70 HIS CB C 155 27.591 28.775 -1.184 1 1 322 . 10 1 1 A 70 70 HIS N N 155 115.018 116.344 -1.326 1 1 323 . 10 1 1 A 71 71 ARG H H 156 7.618 8.319 -0.701 1 1 325 . 10 1 1 A 71 71 ARG CA C 156 56.278 55.651 0.627 1 1 326 . 10 1 1 A 71 71 ARG CB C 156 30.770 29.950 0.820 1 1 329 . 10 1 1 A 71 71 ARG N N 156 118.197 116.103 2.094 1 1 331 . 10 1 1 A 72 72 TYR H H 157 7.473 7.867 -0.394 1 1 332 . 10 1 1 A 72 72 TYR HA H 157 5.034 4.708 0.326 1 1 339 . 10 1 1 A 72 72 TYR CA C 157 52.768 56.252 -3.484 1 1 340 . 10 1 1 A 72 72 TYR CB C 157 35.150 38.456 -3.306 1 1 343 . 10 1 1 A 72 72 TYR N N 157 120.873 121.090 -0.217 1 1 344 . 10 1 1 A 73 73 PRO HA H 158 4.425 4.835 -0.410 1 1 351 . 10 1 1 A 73 73 PRO CA C 158 63.737 62.845 0.892 1 1 352 . 10 1 1 A 73 73 PRO CB C 158 32.071 32.707 -0.636 1 1 355 . 10 1 1 A 74 74 ASN H H 159 8.562 8.581 -0.019 1 1 356 . 10 1 1 A 74 74 ASN HA H 159 4.708 5.009 -0.301 1 1 361 . 10 1 1 A 74 74 ASN CA C 159 51.965 52.347 -0.382 1 1 362 . 10 1 1 A 74 74 ASN CB C 159 37.898 39.265 -1.367 1 1 363 . 10 1 1 A 74 74 ASN N N 159 116.213 115.866 0.347 1 1 365 . 10 1 1 A 75 75 GLN H H 160 7.302 7.478 -0.176 1 1 366 . 10 1 1 A 75 75 GLN HA H 160 4.479 4.449 0.030 1 1 371 . 10 1 1 A 75 75 GLN CA C 160 54.184 55.315 -1.131 1 1 372 . 10 1 1 A 75 75 GLN CB C 160 34.167 31.849 2.318 1 1 373 . 10 1 1 A 75 75 GLN N N 160 114.122 118.316 -4.194 1 1 375 . 10 1 1 A 76 76 VAL H H 161 8.635 8.263 0.372 1 1 376 . 10 1 1 A 76 76 VAL HA H 161 4.916 4.803 0.113 1 1 384 . 10 1 1 A 76 76 VAL CA C 161 58.557 59.608 -1.051 1 1 385 . 10 1 1 A 76 76 VAL CB C 161 33.635 35.143 -1.508 1 1 388 . 10 1 1 A 76 76 VAL N N 161 112.903 116.748 -3.845 1 1 389 . 10 1 1 A 77 77 TYR H H 162 8.554 9.067 -0.513 1 1 390 . 10 1 1 A 77 77 TYR HA H 162 5.440 5.175 0.265 1 1 397 . 10 1 1 A 77 77 TYR CA C 162 57.057 56.263 0.794 1 1 398 . 10 1 1 A 77 77 TYR CB C 162 42.147 42.881 -0.734 1 1 401 . 10 1 1 A 77 77 TYR N N 162 120.972 122.731 -1.759 1 1 402 . 10 1 1 A 78 78 TYR H H 163 8.686 8.859 -0.173 1 1 403 . 10 1 1 A 78 78 TYR HA H 163 4.797 5.688 -0.891 1 1 410 . 10 1 1 A 78 78 TYR CA C 163 55.484 55.409 0.075 1 1 413 . 10 1 1 A 78 78 TYR N N 163 111.059 118.832 -7.773 1 1 429 . 10 1 1 A 86 86 ASN HA H 171 4.733 4.860 -0.127 1 1 434 . 10 1 1 A 86 86 ASN CA C 171 52.388 52.327 0.061 1 1 435 . 10 1 1 A 86 86 ASN CB C 171 39.935 40.086 -0.151 1 1 437 . 10 1 1 A 87 87 GLN H H 172 8.740 8.905 -0.165 1 1 440 . 10 1 1 A 87 87 GLN CA C 172 59.906 59.340 0.566 1 1 441 . 10 1 1 A 87 87 GLN CB C 172 29.065 28.643 0.422 1 1 443 . 10 1 1 A 87 87 GLN N N 172 121.279 123.529 -2.250 1 1 445 . 10 1 1 A 88 88 ASN H H 173 8.427 8.543 -0.116 1 1 446 . 10 1 1 A 88 88 ASN HA H 173 4.255 4.306 -0.051 1 1 451 . 10 1 1 A 88 88 ASN CA C 173 56.396 55.937 0.459 1 1 452 . 10 1 1 A 88 88 ASN CB C 173 37.912 37.413 0.499 1 1 453 . 10 1 1 A 88 88 ASN N N 173 116.210 114.924 1.286 1 1 455 . 10 1 1 A 89 89 ASN H H 174 8.542 7.979 0.563 1 1 456 . 10 1 1 A 89 89 ASN HA H 174 4.509 4.458 0.051 1 1 461 . 10 1 1 A 89 89 ASN CA C 174 56.013 55.809 0.204 1 1 462 . 10 1 1 A 89 89 ASN CB C 174 38.359 38.446 -0.087 1 1 463 . 10 1 1 A 89 89 ASN N N 174 118.573 118.591 -0.018 1 1 465 . 10 1 1 A 90 90 PHE H H 175 8.113 8.117 -0.004 1 1 466 . 10 1 1 A 90 90 PHE CA C 175 61.432 60.958 0.474 1 1 467 . 10 1 1 A 90 90 PHE N N 175 120.437 120.503 -0.066 1 1 468 . 10 1 1 A 91 91 VAL H H 176 9.215 7.946 1.269 1 1 469 . 10 1 1 A 91 91 VAL HA H 176 3.608 3.481 0.127 1 1 477 . 10 1 1 A 91 91 VAL CA C 176 67.888 65.893 1.995 1 1 478 . 10 1 1 A 91 91 VAL CB C 176 32.042 31.558 0.484 1 1 480 . 10 1 1 A 91 91 VAL N N 176 120.071 119.366 0.705 1 1 481 . 10 1 1 A 92 92 HIS H H 177 8.497 7.654 0.843 1 1 482 . 10 1 1 A 92 92 HIS HA H 177 4.353 4.303 0.050 1 1 485 . 10 1 1 A 92 92 HIS CA C 177 59.251 59.386 -0.135 1 1 486 . 10 1 1 A 92 92 HIS CB C 177 28.104 29.600 -1.496 1 1 487 . 10 1 1 A 92 92 HIS N N 177 117.399 118.000 -0.601 1 1 488 . 10 1 1 A 93 93 ASN H H 178 7.860 8.104 -0.244 1 1 489 . 10 1 1 A 93 93 ASN HA H 178 4.521 4.424 0.097 1 1 494 . 10 1 1 A 93 93 ASN CA C 178 56.244 56.275 -0.031 1 1 495 . 10 1 1 A 93 93 ASN CB C 178 37.934 37.785 0.149 1 1 496 . 10 1 1 A 93 93 ASN N N 178 116.474 116.638 -0.164 1 1 498 . 10 1 1 A 94 94 CYS H H 179 8.133 7.719 0.414 1 1 499 . 10 1 1 A 94 94 CYS CA C 179 58.595 63.232 -4.637 1 1 500 . 10 1 1 A 94 94 CYS CB C 179 40.911 27.096 13.815 1 1 501 . 10 1 1 A 94 94 CYS N N 179 120.418 118.525 1.893 1 1 502 . 10 1 1 A 95 95 VAL H H 180 9.280 7.470 1.810 1 1 503 . 10 1 1 A 95 95 VAL HA H 180 3.654 3.574 0.080 1 1 511 . 10 1 1 A 95 95 VAL CA C 180 66.400 66.834 -0.434 1 1 512 . 10 1 1 A 95 95 VAL CB C 180 31.912 31.508 0.404 1 1 515 . 10 1 1 A 95 95 VAL N N 180 125.212 121.627 3.585 1 1 516 . 10 1 1 A 96 96 ASN H H 181 7.696 8.120 -0.424 1 1 517 . 10 1 1 A 96 96 ASN HA H 181 4.321 4.447 -0.126 1 1 522 . 10 1 1 A 96 96 ASN CA C 181 56.419 56.608 -0.189 1 1 523 . 10 1 1 A 96 96 ASN CB C 181 38.654 38.264 0.390 1 1 524 . 10 1 1 A 96 96 ASN N N 181 115.816 119.542 -3.726 1 1 526 . 10 1 1 A 97 97 ILE H H 182 8.385 7.610 0.775 1 1 527 . 10 1 1 A 97 97 ILE HA H 182 3.726 3.634 0.092 1 1 537 . 10 1 1 A 97 97 ILE CA C 182 62.446 65.270 -2.824 1 1 538 . 10 1 1 A 97 97 ILE CB C 182 36.464 37.858 -1.394 1 1 542 . 10 1 1 A 97 97 ILE N N 182 118.191 119.928 -1.737 1 1 543 . 10 1 1 A 98 98 THR H H 183 8.157 7.500 0.657 1 1 544 . 10 1 1 A 98 98 THR HA H 183 4.078 3.936 0.142 1 1 549 . 10 1 1 A 98 98 THR CA C 183 68.807 66.731 2.076 1 1 550 . 10 1 1 A 98 98 THR CB C 183 68.239 68.811 -0.572 1 1 552 . 10 1 1 A 98 98 THR N N 183 117.797 117.343 0.454 1 1 553 . 10 1 1 A 99 99 ILE H H 184 8.528 7.496 1.032 1 1 554 . 10 1 1 A 99 99 ILE HA H 184 3.727 3.454 0.273 1 1 564 . 10 1 1 A 99 99 ILE CA C 184 65.621 65.322 0.299 1 1 565 . 10 1 1 A 99 99 ILE CB C 184 36.531 37.159 -0.628 1 1 569 . 10 1 1 A 99 99 ILE N N 184 120.576 121.159 -0.583 1 1 570 . 10 1 1 A 100 100 LYS H H 185 7.953 8.238 -0.285 1 1 571 . 10 1 1 A 100 100 LYS HA H 185 4.068 3.897 0.171 1 1 580 . 10 1 1 A 100 100 LYS CA C 185 59.636 59.774 -0.138 1 1 581 . 10 1 1 A 100 100 LYS CB C 185 31.989 32.557 -0.568 1 1 585 . 10 1 1 A 100 100 LYS N N 185 122.562 121.106 1.456 1 1 586 . 10 1 1 A 101 101 GLN H H 186 8.376 8.135 0.241 1 1 589 . 10 1 1 A 101 101 GLN CA C 186 57.741 58.667 -0.926 1 1 590 . 10 1 1 A 101 101 GLN N N 186 116.213 118.398 -2.185 1 1 592 . 10 1 1 A 102 102 HIS H H 187 8.199 7.876 0.323 1 1 593 . 10 1 1 A 102 102 HIS HA H 187 4.593 4.312 0.281 1 1 596 . 10 1 1 A 102 102 HIS CA C 187 59.062 59.562 -0.500 1 1 597 . 10 1 1 A 102 102 HIS CB C 187 30.384 29.985 0.399 1 1 598 . 10 1 1 A 102 102 HIS N N 187 118.199 120.820 -2.621 1 1 599 . 10 1 1 A 103 103 THR H H 188 8.245 8.186 0.059 1 1 600 . 10 1 1 A 103 103 THR HA H 188 4.184 4.272 -0.088 1 1 605 . 10 1 1 A 103 103 THR CA C 188 65.017 65.294 -0.277 1 1 606 . 10 1 1 A 103 103 THR CB C 188 69.167 68.672 0.495 1 1 608 . 10 1 1 A 103 103 THR N N 188 113.748 113.548 0.200 1 1 609 . 10 1 1 A 104 104 VAL H H 189 8.013 7.892 0.121 1 1 610 . 10 1 1 A 104 104 VAL HA H 189 4.004 3.629 0.375 1 1 618 . 10 1 1 A 104 104 VAL CA C 189 65.151 66.576 -1.425 1 1 619 . 10 1 1 A 104 104 VAL CB C 189 31.743 31.557 0.186 1 1 622 . 10 1 1 A 104 104 VAL N N 189 122.142 121.973 0.169 1 1 623 . 10 1 1 A 105 105 THR H H 190 8.092 7.637 0.455 1 1 624 . 10 1 1 A 105 105 THR HA H 190 4.250 3.956 0.294 1 1 629 . 10 1 1 A 105 105 THR CA C 190 64.314 65.704 -1.390 1 1 630 . 10 1 1 A 105 105 THR CB C 190 69.159 68.441 0.718 1 1 632 . 10 1 1 A 105 105 THR N N 190 115.022 115.815 -0.793 1 1 633 . 10 1 1 A 106 106 THR H H 191 8.017 7.570 0.447 1 1 634 . 10 1 1 A 106 106 THR HA H 191 4.214 3.951 0.263 1 1 639 . 10 1 1 A 106 106 THR CA C 191 63.874 65.625 -1.751 1 1 640 . 10 1 1 A 106 106 THR CB C 191 69.009 68.444 0.565 1 1 642 . 10 1 1 A 106 106 THR N N 191 114.622 116.552 -1.930 1 1 643 . 10 1 1 A 107 107 THR H H 192 8.194 7.963 0.231 1 1 644 . 10 1 1 A 107 107 THR CA C 192 64.201 65.733 -1.532 1 1 645 . 10 1 1 A 107 107 THR CB C 192 69.159 68.375 0.784 1 1 647 . 10 1 1 A 107 107 THR N N 192 116.611 116.586 0.025 1 1 648 . 10 1 1 A 108 108 THR H H 193 7.932 8.267 -0.335 1 1 649 . 10 1 1 A 108 108 THR CA C 193 63.871 65.122 -1.251 1 1 650 . 10 1 1 A 108 108 THR CB C 193 69.002 68.976 0.026 1 1 652 . 10 1 1 A 108 108 THR N N 193 116.096 115.260 0.836 1 1 653 . 10 1 1 A 109 109 LYS H H 194 7.821 7.865 -0.044 1 1 654 . 10 1 1 A 109 109 LYS HA H 194 4.364 4.392 -0.028 1 1 663 . 10 1 1 A 109 109 LYS CA C 194 56.285 55.959 0.326 1 1 664 . 10 1 1 A 109 109 LYS CB C 194 32.636 33.325 -0.689 1 1 668 . 10 1 1 A 109 109 LYS N N 194 120.975 117.956 3.019 1 1 669 . 10 1 1 A 110 110 GLY H H 195 8.109 7.790 0.319 1 1 670 . 10 1 1 A 110 110 GLY HA2 H 195 3.858 3.947 -0.089 1 1 671 . 10 1 1 A 110 110 GLY HA3 H 195 4.083 3.949 0.134 1 1 672 . 10 1 1 A 110 110 GLY CA C 195 45.511 46.346 -0.835 1 1 673 . 10 1 1 A 110 110 GLY N N 195 108.675 109.834 -1.159 1 1 674 . 10 1 1 A 111 111 GLU H H 196 7.706 7.996 -0.290 1 1 675 . 10 1 1 A 111 111 GLU HA H 196 4.258 4.744 -0.486 1 1 680 . 10 1 1 A 111 111 GLU CA C 196 55.837 54.761 1.076 1 1 681 . 10 1 1 A 111 111 GLU CB C 196 30.673 32.208 -1.535 1 1 683 . 10 1 1 A 111 111 GLU N N 196 120.028 119.244 0.784 1 1 684 . 10 1 1 A 112 112 ASN H H 197 8.460 8.660 -0.200 1 1 685 . 10 1 1 A 112 112 ASN HA H 197 4.668 5.283 -0.615 1 1 690 . 10 1 1 A 112 112 ASN CA C 197 52.923 51.775 1.148 1 1 691 . 10 1 1 A 112 112 ASN CB C 197 40.491 41.865 -1.374 1 1 692 . 10 1 1 A 112 112 ASN N N 197 119.716 117.713 2.003 1 1 694 . 10 1 1 A 113 113 PHE H H 198 8.655 8.139 0.516 1 1 695 . 10 1 1 A 113 113 PHE HA H 198 5.262 5.643 -0.381 1 1 698 . 10 1 1 A 113 113 PHE CA C 198 56.640 55.477 1.163 1 1 699 . 10 1 1 A 113 113 PHE CB C 198 39.899 41.835 -1.936 1 1 700 . 10 1 1 A 113 113 PHE N N 198 122.046 117.989 4.057 1 1 701 . 10 1 1 A 114 114 THR H H 199 9.506 8.900 0.606 1 1 702 . 10 1 1 A 114 114 THR HA H 199 4.625 4.769 -0.144 1 1 707 . 10 1 1 A 114 114 THR CA C 199 60.305 60.579 -0.274 1 1 708 . 10 1 1 A 114 114 THR CB C 199 72.033 71.031 1.002 1 1 710 . 10 1 1 A 114 114 THR N N 199 116.124 113.881 2.243 1 1 711 . 10 1 1 A 115 115 GLU H H 200 9.120 9.093 0.027 1 1 712 . 10 1 1 A 115 115 GLU HA H 200 4.051 4.176 -0.125 1 1 717 . 10 1 1 A 115 115 GLU CA C 200 59.877 59.250 0.627 1 1 718 . 10 1 1 A 115 115 GLU CB C 200 28.787 29.151 -0.364 1 1 720 . 10 1 1 A 115 115 GLU N N 200 119.993 120.719 -0.726 1 1 721 . 10 1 1 A 116 116 THR H H 201 7.955 7.765 0.190 1 1 722 . 10 1 1 A 116 116 THR HA H 201 3.794 3.994 -0.200 1 1 727 . 10 1 1 A 116 116 THR CA C 201 66.734 66.822 -0.088 1 1 728 . 10 1 1 A 116 116 THR CB C 201 68.624 68.952 -0.328 1 1 730 . 10 1 1 A 116 116 THR N N 201 116.160 117.049 -0.889 1 1 731 . 10 1 1 A 117 117 ASP H H 202 7.505 8.144 -0.639 1 1 732 . 10 1 1 A 117 117 ASP HA H 202 4.577 4.527 0.050 1 1 735 . 10 1 1 A 117 117 ASP CA C 202 58.057 57.635 0.422 1 1 736 . 10 1 1 A 117 117 ASP CB C 202 41.747 41.443 0.304 1 1 737 . 10 1 1 A 117 117 ASP N N 202 120.175 121.265 -1.090 1 1 738 . 10 1 1 A 118 118 VAL H H 203 8.236 8.476 -0.240 1 1 739 . 10 1 1 A 118 118 VAL HA H 203 3.324 3.799 -0.475 1 1 747 . 10 1 1 A 118 118 VAL CA C 203 67.799 64.915 2.884 1 1 748 . 10 1 1 A 118 118 VAL CB C 203 31.269 31.139 0.130 1 1 751 . 10 1 1 A 118 118 VAL N N 203 119.654 118.683 0.971 1 1 752 . 10 1 1 A 119 119 LYS H H 204 7.740 7.417 0.323 1 1 753 . 10 1 1 A 119 119 LYS HA H 204 4.090 4.026 0.064 1 1 762 . 10 1 1 A 119 119 LYS CA C 204 59.368 59.578 -0.210 1 1 763 . 10 1 1 A 119 119 LYS CB C 204 32.165 32.203 -0.038 1 1 767 . 10 1 1 A 119 119 LYS N N 204 119.288 122.751 -3.463 1 1 768 . 10 1 1 A 120 120 MET H H 205 8.235 8.243 -0.008 1 1 769 . 10 1 1 A 120 120 MET HA H 205 4.158 4.320 -0.162 1 1 777 . 10 1 1 A 120 120 MET CA C 205 59.819 58.771 1.048 1 1 778 . 10 1 1 A 120 120 MET CB C 205 33.078 33.137 -0.059 1 1 781 . 10 1 1 A 120 120 MET N N 205 118.767 119.246 -0.479 1 1 782 . 10 1 1 A 121 121 MET H H 206 8.755 8.320 0.435 1 1 783 . 10 1 1 A 121 121 MET HA H 206 3.580 3.742 -0.162 1 1 791 . 10 1 1 A 121 121 MET CA C 206 59.639 57.849 1.790 1 1 792 . 10 1 1 A 121 121 MET CB C 206 32.777 32.093 0.684 1 1 795 . 10 1 1 A 121 121 MET N N 206 118.428 118.125 0.303 1 1 796 . 10 1 1 A 122 122 GLU H H 207 8.419 7.656 0.763 1 1 797 . 10 1 1 A 122 122 GLU HA H 207 3.688 3.974 -0.286 1 1 802 . 10 1 1 A 122 122 GLU CA C 207 60.390 59.062 1.328 1 1 803 . 10 1 1 A 122 122 GLU CB C 207 28.448 29.000 -0.552 1 1 805 . 10 1 1 A 122 122 GLU N N 207 118.469 118.696 -0.227 1 1 806 . 10 1 1 A 123 123 ARG H H 208 7.344 7.669 -0.325 1 1 807 . 10 1 1 A 123 123 ARG HA H 208 4.163 4.162 0.001 1 1 815 . 10 1 1 A 123 123 ARG CA C 208 58.537 58.995 -0.458 1 1 816 . 10 1 1 A 123 123 ARG CB C 208 29.925 29.888 0.037 1 1 819 . 10 1 1 A 123 123 ARG N N 208 116.990 121.276 -4.286 1 1 821 . 10 1 1 A 124 124 VAL H H 209 8.299 7.725 0.574 1 1 822 . 10 1 1 A 124 124 VAL HA H 209 3.798 3.625 0.173 1 1 830 . 10 1 1 A 124 124 VAL CA C 209 65.995 66.246 -0.251 1 1 831 . 10 1 1 A 124 124 VAL CB C 209 32.075 31.611 0.464 1 1 834 . 10 1 1 A 124 124 VAL N N 209 119.301 119.709 -0.408 1 1 835 . 10 1 1 A 125 125 VAL H H 210 9.016 7.588 1.428 1 1 836 . 10 1 1 A 125 125 VAL HA H 210 3.643 3.450 0.193 1 1 844 . 10 1 1 A 125 125 VAL CA C 210 66.591 66.517 0.074 1 1 845 . 10 1 1 A 125 125 VAL CB C 210 31.836 31.600 0.236 1 1 848 . 10 1 1 A 125 125 VAL N N 210 121.312 120.002 1.310 1 1 849 . 10 1 1 A 126 126 GLU H H 211 8.153 8.202 -0.049 1 1 850 . 10 1 1 A 126 126 GLU HA H 211 3.622 3.959 -0.337 1 1 855 . 10 1 1 A 126 126 GLU CA C 211 60.997 59.935 1.062 1 1 856 . 10 1 1 A 126 126 GLU CB C 211 28.921 29.302 -0.381 1 1 858 . 10 1 1 A 126 126 GLU N N 211 120.456 119.823 0.633 1 1 859 . 10 1 1 A 127 127 GLN H H 212 7.274 7.940 -0.666 1 1 862 . 10 1 1 A 127 127 GLN CA C 212 58.803 58.830 -0.027 1 1 863 . 10 1 1 A 127 127 GLN N N 212 115.025 119.238 -4.213 1 1 865 . 10 1 1 A 128 128 MET H H 213 8.324 8.101 0.223 1 1 866 . 10 1 1 A 128 128 MET HA H 213 4.146 3.973 0.173 1 1 872 . 10 1 1 A 128 128 MET CA C 213 59.976 58.680 1.296 1 1 873 . 10 1 1 A 128 128 MET CB C 213 31.911 31.986 -0.075 1 1 875 . 10 1 1 A 128 128 MET N N 213 119.344 119.291 0.053 1 1 876 . 10 1 1 A 129 129 CYS H H 214 9.219 8.049 1.170 1 1 877 . 10 1 1 A 129 129 CYS CA C 214 59.821 61.636 -1.815 1 1 878 . 10 1 1 A 129 129 CYS N N 214 118.992 117.478 1.514 1 1 879 . 10 1 1 A 130 130 ILE H H 215 8.340 7.974 0.366 1 1 880 . 10 1 1 A 130 130 ILE HA H 215 3.563 3.966 -0.403 1 1 890 . 10 1 1 A 130 130 ILE CA C 215 66.751 64.493 2.258 1 1 891 . 10 1 1 A 130 130 ILE CB C 215 37.814 36.511 1.303 1 1 895 . 10 1 1 A 130 130 ILE N N 215 123.750 122.547 1.203 1 1 896 . 10 1 1 A 131 131 THR H H 216 8.142 8.128 0.014 1 1 897 . 10 1 1 A 131 131 THR HA H 216 3.940 3.852 0.088 1 1 902 . 10 1 1 A 131 131 THR CA C 216 66.898 66.723 0.175 1 1 903 . 10 1 1 A 131 131 THR CB C 216 69.608 68.780 0.828 1 1 905 . 10 1 1 A 131 131 THR N N 216 118.528 117.957 0.571 1 1 906 . 10 1 1 A 132 132 GLN H H 217 8.687 7.782 0.905 1 1 907 . 10 1 1 A 132 132 GLN HA H 217 3.688 3.896 -0.208 1 1 914 . 10 1 1 A 132 132 GLN CA C 217 58.527 58.365 0.162 1 1 915 . 10 1 1 A 132 132 GLN CB C 217 28.353 28.358 -0.005 1 1 917 . 10 1 1 A 132 132 GLN N N 217 121.765 118.294 3.471 1 1 919 . 10 1 1 A 133 133 TYR HA H 218 4.532 4.838 -0.306 1 1 926 . 10 1 1 A 133 133 TYR CA C 218 55.867 56.238 -0.371 1 1 927 . 10 1 1 A 133 133 TYR CB C 218 37.912 38.821 -0.909 1 1 930 . 10 1 1 A 134 134 GLU H H 219 8.293 9.040 -0.747 1 1 931 . 10 1 1 A 134 134 GLU HA H 219 3.689 4.095 -0.406 1 1 936 . 10 1 1 A 134 134 GLU CA C 219 59.268 59.329 -0.061 1 1 937 . 10 1 1 A 134 134 GLU CB C 219 28.324 29.045 -0.721 1 1 939 . 10 1 1 A 134 134 GLU N N 219 120.400 124.633 -4.233 1 1 940 . 10 1 1 A 135 135 ARG H H 220 7.887 8.121 -0.234 1 1 941 . 10 1 1 A 135 135 ARG HA H 220 3.981 4.016 -0.035 1 1 949 . 10 1 1 A 135 135 ARG CA C 220 59.266 59.463 -0.197 1 1 950 . 10 1 1 A 135 135 ARG CB C 220 30.337 29.916 0.421 1 1 953 . 10 1 1 A 135 135 ARG N N 220 118.589 119.886 -1.297 1 1 955 . 10 1 1 A 137 137 SER HA H 222 3.954 4.216 -0.262 1 1 958 . 10 1 1 A 137 137 SER CA C 222 60.572 61.323 -0.751 1 1 959 . 10 1 1 A 137 137 SER CB C 222 62.761 63.249 -0.488 1 1 960 . 10 1 1 A 138 138 GLN H H 223 7.624 7.499 0.125 1 1 961 . 10 1 1 A 138 138 GLN HA H 223 4.153 4.034 0.119 1 1 968 . 10 1 1 A 138 138 GLN CA C 223 57.658 58.531 -0.873 1 1 969 . 10 1 1 A 138 138 GLN CB C 223 28.370 28.889 -0.519 1 1 971 . 10 1 1 A 138 138 GLN N N 223 120.575 120.766 -0.191 1 1 973 . 10 1 1 A 139 139 ALA H H 224 7.627 7.550 0.077 1 1 974 . 10 1 1 A 139 139 ALA HA H 224 4.156 4.166 -0.010 1 1 978 . 10 1 1 A 139 139 ALA CA C 224 54.017 54.883 -0.866 1 1 979 . 10 1 1 A 139 139 ALA CB C 224 18.645 18.061 0.584 1 1 980 . 10 1 1 A 139 139 ALA N N 224 121.263 122.371 -1.108 1 1 981 . 10 1 1 A 140 140 TYR H H 225 8.048 7.718 0.330 1 1 982 . 10 1 1 A 140 140 TYR HA H 225 4.204 4.273 -0.069 1 1 989 . 10 1 1 A 140 140 TYR CA C 225 59.890 61.229 -1.339 1 1 990 . 10 1 1 A 140 140 TYR CB C 225 38.994 38.173 0.821 1 1 993 . 10 1 1 A 140 140 TYR N N 225 118.980 119.609 -0.629 1 1 994 . 10 1 1 A 141 141 TYR H H 226 7.948 7.994 -0.046 1 1 995 . 10 1 1 A 141 141 TYR HA H 226 4.375 4.246 0.129 1 1 1002 . 10 1 1 A 141 141 TYR CA C 226 59.036 61.739 -2.703 1 1 1003 . 10 1 1 A 141 141 TYR CB C 226 38.060 38.539 -0.479 1 1 1006 . 10 1 1 A 141 141 TYR N N 226 118.596 121.852 -3.256 1 1 1007 . 10 1 1 A 142 142 GLN H H 227 7.941 7.534 0.407 1 1 1008 . 10 1 1 A 142 142 GLN HA H 227 4.240 4.392 -0.152 1 1 1015 . 10 1 1 A 142 142 GLN CA C 227 56.346 56.680 -0.334 1 1 1016 . 10 1 1 A 142 142 GLN CB C 227 28.912 29.620 -0.708 1 1 1018 . 10 1 1 A 142 142 GLN N N 227 119.883 118.389 1.494 1 1 1020 . 10 1 1 A 143 143 ARG H H 228 7.966 8.682 -0.716 1 1 1021 . 10 1 1 A 143 143 ARG HA H 228 4.244 5.149 -0.905 1 1 1029 . 10 1 1 A 143 143 ARG CA C 228 56.719 54.035 2.684 1 1 1030 . 10 1 1 A 143 143 ARG CB C 228 30.731 34.137 -3.406 1 1 1033 . 10 1 1 A 143 143 ARG N N 228 120.871 119.778 1.093 1 1 1035 . 10 1 1 A 144 144 GLY H H 229 8.247 8.485 -0.238 1 1 1036 . 10 1 1 A 144 144 GLY HA2 H 229 3.992 4.180 -0.188 1 1 1037 . 10 1 1 A 144 144 GLY HA3 H 229 3.992 4.183 -0.191 1 1 1038 . 10 1 1 A 144 144 GLY CA C 229 45.359 45.960 -0.601 1 1 1039 . 10 1 1 A 144 144 GLY N N 229 109.072 106.660 2.412 1 1 1040 . 10 1 1 A 145 145 SER H H 230 8.139 8.745 -0.606 1 1 1041 . 10 1 1 A 145 145 SER HA H 230 4.506 4.729 -0.223 1 1 1044 . 10 1 1 A 145 145 SER CA C 230 58.123 56.624 1.499 1 1 1045 . 10 1 1 A 145 145 SER CB C 230 63.878 63.965 -0.087 1 1 1046 . 10 1 1 A 145 145 SER N N 230 115.684 118.891 -3.207 1 1 16 . 11 1 1 A 41 41 GLY H H 126 8.484 8.398 0.086 1 1 17 . 11 1 1 A 41 41 GLY HA2 H 126 3.861 4.180 -0.319 1 1 18 . 11 1 1 A 41 41 GLY HA3 H 126 3.920 4.183 -0.263 1 1 19 . 11 1 1 A 41 41 GLY CA C 126 46.260 45.744 0.516 1 1 20 . 11 1 1 A 41 41 GLY N N 126 109.470 108.866 0.604 1 1 21 . 11 1 1 A 42 42 GLY H H 127 8.326 8.552 -0.226 1 1 22 . 11 1 1 A 42 42 GLY HA2 H 127 3.749 3.575 0.174 1 1 23 . 11 1 1 A 42 42 GLY HA3 H 127 3.900 3.709 0.191 1 1 24 . 11 1 1 A 42 42 GLY CA C 127 45.226 46.946 -1.720 1 1 25 . 11 1 1 A 42 42 GLY N N 127 109.020 110.750 -1.730 1 1 26 . 11 1 1 A 43 43 TYR H H 128 7.692 7.694 -0.002 1 1 27 . 11 1 1 A 43 43 TYR HA H 128 4.675 4.297 0.378 1 1 34 . 11 1 1 A 43 43 TYR CA C 128 57.271 59.511 -2.240 1 1 35 . 11 1 1 A 43 43 TYR CB C 128 40.257 38.727 1.530 1 1 38 . 11 1 1 A 43 43 TYR N N 128 117.301 120.277 -2.976 1 1 39 . 11 1 1 A 44 44 VAL H H 129 8.974 8.370 0.604 1 1 40 . 11 1 1 A 44 44 VAL HA H 129 4.344 4.125 0.219 1 1 48 . 11 1 1 A 44 44 VAL CA C 129 59.555 61.775 -2.220 1 1 49 . 11 1 1 A 44 44 VAL CB C 129 34.728 33.079 1.649 1 1 52 . 11 1 1 A 44 44 VAL N N 129 118.589 122.408 -3.819 1 1 53 . 11 1 1 A 45 45 LEU H H 130 8.029 8.551 -0.522 1 1 62 . 11 1 1 A 45 45 LEU N N 130 123.350 124.711 -1.361 1 1 63 . 11 1 1 A 46 46 GLY H H 131 9.278 8.683 0.595 1 1 64 . 11 1 1 A 46 46 GLY CA C 131 44.842 45.615 -0.773 1 1 65 . 11 1 1 A 46 46 GLY N N 131 114.623 114.179 0.444 1 1 66 . 11 1 1 A 47 47 SER H H 132 8.315 8.117 0.198 1 1 67 . 11 1 1 A 47 47 SER HA H 132 4.438 4.521 -0.083 1 1 70 . 11 1 1 A 47 47 SER CA C 132 58.520 58.778 -0.258 1 1 71 . 11 1 1 A 47 47 SER CB C 132 64.166 62.748 1.418 1 1 72 . 11 1 1 A 47 47 SER N N 132 113.038 114.796 -1.758 1 1 73 . 11 1 1 A 48 48 ALA H H 133 8.736 8.446 0.290 1 1 74 . 11 1 1 A 48 48 ALA HA H 133 4.425 5.212 -0.787 1 1 78 . 11 1 1 A 48 48 ALA CA C 133 53.090 50.240 2.850 1 1 79 . 11 1 1 A 48 48 ALA CB C 133 18.465 22.632 -4.167 1 1 80 . 11 1 1 A 48 48 ALA N N 133 125.270 125.623 -0.353 1 1 81 . 11 1 1 A 49 49 MET H H 134 8.758 8.923 -0.165 1 1 82 . 11 1 1 A 49 49 MET HA H 134 4.754 5.364 -0.610 1 1 90 . 11 1 1 A 49 49 MET CA C 134 53.972 54.092 -0.120 1 1 91 . 11 1 1 A 49 49 MET CB C 134 37.222 35.639 1.583 1 1 94 . 11 1 1 A 49 49 MET N N 134 120.911 119.606 1.305 1 1 95 . 11 1 1 A 50 50 SER H H 135 8.430 8.744 -0.314 1 1 96 . 11 1 1 A 50 50 SER HA H 135 4.356 5.147 -0.791 1 1 99 . 11 1 1 A 50 50 SER CA C 135 58.630 56.974 1.656 1 1 100 . 11 1 1 A 50 50 SER CB C 135 63.575 65.064 -1.489 1 1 101 . 11 1 1 A 50 50 SER N N 135 116.162 116.413 -0.251 1 1 102 . 11 1 1 A 51 51 ARG H H 136 8.646 8.394 0.252 1 1 103 . 11 1 1 A 51 51 ARG HA H 136 4.434 4.657 -0.223 1 1 111 . 11 1 1 A 51 51 ARG CA C 136 54.863 53.655 1.208 1 1 112 . 11 1 1 A 51 51 ARG CB C 136 30.519 34.512 -3.993 1 1 115 . 11 1 1 A 51 51 ARG N N 136 126.460 122.166 4.294 1 1 117 . 11 1 1 A 52 52 PRO HA H 137 4.413 4.567 -0.154 1 1 124 . 11 1 1 A 52 52 PRO CA C 137 62.198 62.229 -0.031 1 1 125 . 11 1 1 A 52 52 PRO CB C 137 32.165 33.082 -0.917 1 1 128 . 11 1 1 A 53 53 ILE H H 138 8.647 8.335 0.312 1 1 129 . 11 1 1 A 53 53 ILE HA H 138 4.160 4.158 0.002 1 1 139 . 11 1 1 A 53 53 ILE CA C 138 60.851 61.977 -1.126 1 1 140 . 11 1 1 A 53 53 ILE CB C 138 36.101 39.422 -3.321 1 1 144 . 11 1 1 A 53 53 ILE N N 138 122.534 121.848 0.686 1 1 145 . 11 1 1 A 54 54 ILE H H 139 6.485 8.455 -1.970 1 1 146 . 11 1 1 A 54 54 ILE HA H 139 3.926 4.491 -0.565 1 1 156 . 11 1 1 A 54 54 ILE CA C 139 58.665 60.791 -2.126 1 1 157 . 11 1 1 A 54 54 ILE CB C 139 39.251 39.489 -0.238 1 1 161 . 11 1 1 A 54 54 ILE N N 139 126.733 128.759 -2.026 1 1 162 . 11 1 1 A 55 55 HIS H H 140 8.249 8.815 -0.566 1 1 163 . 11 1 1 A 55 55 HIS HA H 140 4.935 4.474 0.461 1 1 167 . 11 1 1 A 55 55 HIS CA C 140 54.209 57.012 -2.803 1 1 168 . 11 1 1 A 55 55 HIS CB C 140 29.326 30.674 -1.348 1 1 170 . 11 1 1 A 55 55 HIS N N 140 122.048 127.445 -5.397 1 1 171 . 11 1 1 A 56 56 PHE H H 141 10.205 8.633 1.572 1 1 172 . 11 1 1 A 56 56 PHE HA H 141 4.360 4.546 -0.186 1 1 175 . 11 1 1 A 56 56 PHE CA C 141 59.367 59.184 0.183 1 1 176 . 11 1 1 A 56 56 PHE CB C 141 41.594 40.856 0.738 1 1 177 . 11 1 1 A 56 56 PHE N N 141 124.145 121.458 2.687 1 1 178 . 11 1 1 A 57 57 GLY H H 142 9.008 8.342 0.666 1 1 179 . 11 1 1 A 57 57 GLY HA2 H 142 3.835 3.948 -0.113 1 1 180 . 11 1 1 A 57 57 GLY HA3 H 142 4.168 4.005 0.163 1 1 181 . 11 1 1 A 57 57 GLY CA C 142 45.777 45.580 0.197 1 1 182 . 11 1 1 A 57 57 GLY N N 142 108.268 107.161 1.107 1 1 183 . 11 1 1 A 58 58 SER H H 143 7.327 7.917 -0.590 1 1 184 . 11 1 1 A 58 58 SER HA H 143 4.820 4.862 -0.042 1 1 187 . 11 1 1 A 58 58 SER CA C 143 56.405 57.626 -1.221 1 1 188 . 11 1 1 A 58 58 SER CB C 143 66.034 65.432 0.602 1 1 189 . 11 1 1 A 58 58 SER N N 143 111.827 114.492 -2.665 1 1 190 . 11 1 1 A 59 59 ASP H H 144 9.051 8.905 0.146 1 1 191 . 11 1 1 A 59 59 ASP HA H 144 4.502 4.095 0.407 1 1 194 . 11 1 1 A 59 59 ASP CA C 144 57.676 57.440 0.236 1 1 195 . 11 1 1 A 59 59 ASP CB C 144 40.505 39.752 0.753 1 1 196 . 11 1 1 A 59 59 ASP N N 144 124.541 127.656 -3.115 1 1 197 . 11 1 1 A 60 60 TYR H H 145 8.571 7.737 0.834 1 1 198 . 11 1 1 A 60 60 TYR HA H 145 4.197 4.173 0.024 1 1 205 . 11 1 1 A 60 60 TYR CA C 145 61.232 60.764 0.468 1 1 206 . 11 1 1 A 60 60 TYR CB C 145 37.912 38.992 -1.080 1 1 209 . 11 1 1 A 60 60 TYR N N 145 118.914 119.290 -0.376 1 1 210 . 11 1 1 A 61 61 GLU H H 146 7.737 8.254 -0.517 1 1 211 . 11 1 1 A 61 61 GLU HA H 146 3.590 4.147 -0.557 1 1 216 . 11 1 1 A 61 61 GLU CA C 146 59.607 59.516 0.091 1 1 217 . 11 1 1 A 61 61 GLU CB C 146 30.059 29.074 0.985 1 1 219 . 11 1 1 A 61 61 GLU N N 146 118.985 120.884 -1.899 1 1 220 . 11 1 1 A 62 62 ASP H H 147 8.213 8.212 0.001 1 1 221 . 11 1 1 A 62 62 ASP HA H 147 4.666 4.207 0.459 1 1 224 . 11 1 1 A 62 62 ASP CA C 147 58.292 57.270 1.022 1 1 225 . 11 1 1 A 62 62 ASP CB C 147 40.171 41.442 -1.271 1 1 226 . 11 1 1 A 62 62 ASP N N 147 119.785 119.641 0.144 1 1 227 . 11 1 1 A 63 63 ARG H H 148 8.229 7.985 0.244 1 1 228 . 11 1 1 A 63 63 ARG HA H 148 4.016 4.009 0.007 1 1 236 . 11 1 1 A 63 63 ARG CA C 148 59.611 59.702 -0.091 1 1 237 . 11 1 1 A 63 63 ARG CB C 148 30.059 29.965 0.094 1 1 240 . 11 1 1 A 63 63 ARG N N 148 120.339 119.120 1.219 1 1 242 . 11 1 1 A 64 64 TYR H H 149 8.340 8.396 -0.056 1 1 243 . 11 1 1 A 64 64 TYR HA H 149 3.829 4.252 -0.423 1 1 250 . 11 1 1 A 64 64 TYR CA C 149 61.991 61.190 0.801 1 1 251 . 11 1 1 A 64 64 TYR CB C 149 38.417 38.081 0.336 1 1 254 . 11 1 1 A 64 64 TYR N N 149 121.093 121.210 -0.117 1 1 255 . 11 1 1 A 65 65 TYR H H 150 8.979 8.283 0.696 1 1 256 . 11 1 1 A 65 65 TYR HA H 150 4.132 4.108 0.024 1 1 263 . 11 1 1 A 65 65 TYR CA C 150 62.691 60.655 2.036 1 1 264 . 11 1 1 A 65 65 TYR CB C 150 38.025 38.618 -0.593 1 1 267 . 11 1 1 A 65 65 TYR N N 150 120.575 120.982 -0.407 1 1 268 . 11 1 1 A 66 66 ARG H H 151 7.997 7.932 0.065 1 1 269 . 11 1 1 A 66 66 ARG HA H 151 3.925 3.805 0.120 1 1 277 . 11 1 1 A 66 66 ARG CA C 151 60.050 58.925 1.125 1 1 278 . 11 1 1 A 66 66 ARG CB C 151 29.901 29.480 0.421 1 1 281 . 11 1 1 A 66 66 ARG N N 151 117.799 118.812 -1.013 1 1 283 . 11 1 1 A 67 67 GLU H H 152 8.076 7.634 0.442 1 1 284 . 11 1 1 A 67 67 GLU HA H 152 4.082 4.052 0.030 1 1 289 . 11 1 1 A 67 67 GLU CA C 152 58.125 58.291 -0.166 1 1 290 . 11 1 1 A 67 67 GLU CB C 152 29.743 29.463 0.280 1 1 292 . 11 1 1 A 67 67 GLU N N 152 116.601 117.772 -1.171 1 1 293 . 11 1 1 A 68 68 ASN H H 153 7.621 7.896 -0.275 1 1 294 . 11 1 1 A 68 68 ASN HA H 153 4.321 4.591 -0.270 1 1 299 . 11 1 1 A 68 68 ASN CA C 153 54.958 56.299 -1.341 1 1 300 . 11 1 1 A 68 68 ASN CB C 153 41.041 38.459 2.582 1 1 301 . 11 1 1 A 68 68 ASN N N 153 114.623 119.234 -4.611 1 1 303 . 11 1 1 A 69 69 MET H H 154 8.105 8.204 -0.099 1 1 304 . 11 1 1 A 69 69 MET HA H 154 3.458 4.094 -0.636 1 1 312 . 11 1 1 A 69 69 MET CA C 154 59.104 58.153 0.951 1 1 313 . 11 1 1 A 69 69 MET CB C 154 30.533 31.853 -1.320 1 1 316 . 11 1 1 A 69 69 MET N N 154 119.633 117.779 1.854 1 1 317 . 11 1 1 A 70 70 HIS H H 155 8.070 7.785 0.285 1 1 319 . 11 1 1 A 70 70 HIS CA C 155 57.650 58.969 -1.319 1 1 320 . 11 1 1 A 70 70 HIS CB C 155 27.591 30.064 -2.473 1 1 322 . 11 1 1 A 70 70 HIS N N 155 115.018 118.162 -3.144 1 1 323 . 11 1 1 A 71 71 ARG H H 156 7.618 7.814 -0.196 1 1 325 . 11 1 1 A 71 71 ARG CA C 156 56.278 55.489 0.789 1 1 326 . 11 1 1 A 71 71 ARG CB C 156 30.770 30.864 -0.094 1 1 329 . 11 1 1 A 71 71 ARG N N 156 118.197 116.672 1.525 1 1 331 . 11 1 1 A 72 72 TYR H H 157 7.473 7.900 -0.427 1 1 332 . 11 1 1 A 72 72 TYR HA H 157 5.034 4.705 0.329 1 1 339 . 11 1 1 A 72 72 TYR CA C 157 52.768 56.655 -3.887 1 1 340 . 11 1 1 A 72 72 TYR CB C 157 35.150 38.532 -3.382 1 1 343 . 11 1 1 A 72 72 TYR N N 157 120.873 119.196 1.677 1 1 344 . 11 1 1 A 73 73 PRO HA H 158 4.425 4.609 -0.184 1 1 351 . 11 1 1 A 73 73 PRO CA C 158 63.737 62.773 0.964 1 1 352 . 11 1 1 A 73 73 PRO CB C 158 32.071 31.946 0.125 1 1 355 . 11 1 1 A 74 74 ASN H H 159 8.562 8.284 0.278 1 1 356 . 11 1 1 A 74 74 ASN HA H 159 4.708 4.763 -0.055 1 1 361 . 11 1 1 A 74 74 ASN CA C 159 51.965 52.056 -0.091 1 1 362 . 11 1 1 A 74 74 ASN CB C 159 37.898 38.348 -0.450 1 1 363 . 11 1 1 A 74 74 ASN N N 159 116.213 117.397 -1.184 1 1 365 . 11 1 1 A 75 75 GLN H H 160 7.302 7.482 -0.180 1 1 366 . 11 1 1 A 75 75 GLN HA H 160 4.479 4.699 -0.220 1 1 371 . 11 1 1 A 75 75 GLN CA C 160 54.184 55.618 -1.434 1 1 372 . 11 1 1 A 75 75 GLN CB C 160 34.167 32.576 1.591 1 1 373 . 11 1 1 A 75 75 GLN N N 160 114.122 118.471 -4.349 1 1 375 . 11 1 1 A 76 76 VAL H H 161 8.635 8.929 -0.294 1 1 376 . 11 1 1 A 76 76 VAL HA H 161 4.916 5.147 -0.231 1 1 384 . 11 1 1 A 76 76 VAL CA C 161 58.557 60.787 -2.230 1 1 385 . 11 1 1 A 76 76 VAL CB C 161 33.635 33.722 -0.087 1 1 388 . 11 1 1 A 76 76 VAL N N 161 112.903 121.333 -8.430 1 1 389 . 11 1 1 A 77 77 TYR H H 162 8.554 9.094 -0.540 1 1 390 . 11 1 1 A 77 77 TYR HA H 162 5.440 4.992 0.448 1 1 397 . 11 1 1 A 77 77 TYR CA C 162 57.057 58.187 -1.130 1 1 398 . 11 1 1 A 77 77 TYR CB C 162 42.147 39.734 2.413 1 1 401 . 11 1 1 A 77 77 TYR N N 162 120.972 127.477 -6.505 1 1 402 . 11 1 1 A 78 78 TYR H H 163 8.686 8.590 0.096 1 1 403 . 11 1 1 A 78 78 TYR HA H 163 4.797 5.016 -0.219 1 1 410 . 11 1 1 A 78 78 TYR CA C 163 55.484 55.235 0.249 1 1 413 . 11 1 1 A 78 78 TYR N N 163 111.059 121.341 -10.282 1 1 429 . 11 1 1 A 86 86 ASN HA H 171 4.733 4.691 0.042 1 1 434 . 11 1 1 A 86 86 ASN CA C 171 52.388 53.258 -0.870 1 1 435 . 11 1 1 A 86 86 ASN CB C 171 39.935 38.867 1.068 1 1 437 . 11 1 1 A 87 87 GLN H H 172 8.740 8.816 -0.076 1 1 440 . 11 1 1 A 87 87 GLN CA C 172 59.906 58.756 1.150 1 1 441 . 11 1 1 A 87 87 GLN CB C 172 29.065 28.115 0.950 1 1 443 . 11 1 1 A 87 87 GLN N N 172 121.279 121.844 -0.565 1 1 445 . 11 1 1 A 88 88 ASN H H 173 8.427 8.373 0.054 1 1 446 . 11 1 1 A 88 88 ASN HA H 173 4.255 4.268 -0.013 1 1 451 . 11 1 1 A 88 88 ASN CA C 173 56.396 56.768 -0.372 1 1 452 . 11 1 1 A 88 88 ASN CB C 173 37.912 39.457 -1.545 1 1 453 . 11 1 1 A 88 88 ASN N N 173 116.210 118.516 -2.306 1 1 455 . 11 1 1 A 89 89 ASN H H 174 8.542 8.047 0.495 1 1 456 . 11 1 1 A 89 89 ASN HA H 174 4.509 4.210 0.299 1 1 461 . 11 1 1 A 89 89 ASN CA C 174 56.013 56.034 -0.021 1 1 462 . 11 1 1 A 89 89 ASN CB C 174 38.359 38.114 0.245 1 1 463 . 11 1 1 A 89 89 ASN N N 174 118.573 117.458 1.115 1 1 465 . 11 1 1 A 90 90 PHE H H 175 8.113 8.197 -0.084 1 1 466 . 11 1 1 A 90 90 PHE CA C 175 61.432 60.739 0.693 1 1 467 . 11 1 1 A 90 90 PHE N N 175 120.437 121.169 -0.732 1 1 468 . 11 1 1 A 91 91 VAL H H 176 9.215 7.875 1.340 1 1 469 . 11 1 1 A 91 91 VAL HA H 176 3.608 3.348 0.260 1 1 477 . 11 1 1 A 91 91 VAL CA C 176 67.888 66.255 1.633 1 1 478 . 11 1 1 A 91 91 VAL CB C 176 32.042 31.742 0.300 1 1 480 . 11 1 1 A 91 91 VAL N N 176 120.071 119.254 0.817 1 1 481 . 11 1 1 A 92 92 HIS H H 177 8.497 7.710 0.787 1 1 482 . 11 1 1 A 92 92 HIS HA H 177 4.353 4.160 0.193 1 1 485 . 11 1 1 A 92 92 HIS CA C 177 59.251 59.518 -0.267 1 1 486 . 11 1 1 A 92 92 HIS CB C 177 28.104 29.630 -1.526 1 1 487 . 11 1 1 A 92 92 HIS N N 177 117.399 117.783 -0.384 1 1 488 . 11 1 1 A 93 93 ASN H H 178 7.860 8.413 -0.553 1 1 489 . 11 1 1 A 93 93 ASN HA H 178 4.521 4.252 0.269 1 1 494 . 11 1 1 A 93 93 ASN CA C 178 56.244 56.843 -0.599 1 1 495 . 11 1 1 A 93 93 ASN CB C 178 37.934 38.778 -0.844 1 1 496 . 11 1 1 A 93 93 ASN N N 178 116.474 118.299 -1.825 1 1 498 . 11 1 1 A 94 94 CYS H H 179 8.133 7.694 0.439 1 1 499 . 11 1 1 A 94 94 CYS CA C 179 58.595 62.503 -3.908 1 1 500 . 11 1 1 A 94 94 CYS CB C 179 40.911 27.441 13.470 1 1 501 . 11 1 1 A 94 94 CYS N N 179 120.418 118.263 2.155 1 1 502 . 11 1 1 A 95 95 VAL H H 180 9.280 7.638 1.642 1 1 503 . 11 1 1 A 95 95 VAL HA H 180 3.654 3.600 0.054 1 1 511 . 11 1 1 A 95 95 VAL CA C 180 66.400 66.807 -0.407 1 1 512 . 11 1 1 A 95 95 VAL CB C 180 31.912 31.506 0.406 1 1 515 . 11 1 1 A 95 95 VAL N N 180 125.212 120.288 4.924 1 1 516 . 11 1 1 A 96 96 ASN H H 181 7.696 8.145 -0.449 1 1 517 . 11 1 1 A 96 96 ASN HA H 181 4.321 4.477 -0.156 1 1 522 . 11 1 1 A 96 96 ASN CA C 181 56.419 56.542 -0.123 1 1 523 . 11 1 1 A 96 96 ASN CB C 181 38.654 38.861 -0.207 1 1 524 . 11 1 1 A 96 96 ASN N N 181 115.816 118.434 -2.618 1 1 526 . 11 1 1 A 97 97 ILE H H 182 8.385 7.448 0.937 1 1 527 . 11 1 1 A 97 97 ILE HA H 182 3.726 3.651 0.075 1 1 537 . 11 1 1 A 97 97 ILE CA C 182 62.446 65.106 -2.660 1 1 538 . 11 1 1 A 97 97 ILE CB C 182 36.464 37.306 -0.842 1 1 542 . 11 1 1 A 97 97 ILE N N 182 118.191 120.118 -1.927 1 1 543 . 11 1 1 A 98 98 THR H H 183 8.157 7.500 0.657 1 1 544 . 11 1 1 A 98 98 THR HA H 183 4.078 4.111 -0.033 1 1 549 . 11 1 1 A 98 98 THR CA C 183 68.807 66.961 1.846 1 1 550 . 11 1 1 A 98 98 THR CB C 183 68.239 68.994 -0.755 1 1 552 . 11 1 1 A 98 98 THR N N 183 117.797 117.256 0.541 1 1 553 . 11 1 1 A 99 99 ILE H H 184 8.528 7.714 0.814 1 1 554 . 11 1 1 A 99 99 ILE HA H 184 3.727 3.602 0.125 1 1 564 . 11 1 1 A 99 99 ILE CA C 184 65.621 65.440 0.181 1 1 565 . 11 1 1 A 99 99 ILE CB C 184 36.531 37.559 -1.028 1 1 569 . 11 1 1 A 99 99 ILE N N 184 120.576 121.265 -0.689 1 1 570 . 11 1 1 A 100 100 LYS H H 185 7.953 8.316 -0.363 1 1 571 . 11 1 1 A 100 100 LYS HA H 185 4.068 3.958 0.110 1 1 580 . 11 1 1 A 100 100 LYS CA C 185 59.636 59.853 -0.217 1 1 581 . 11 1 1 A 100 100 LYS CB C 185 31.989 32.455 -0.466 1 1 585 . 11 1 1 A 100 100 LYS N N 185 122.562 120.323 2.239 1 1 586 . 11 1 1 A 101 101 GLN H H 186 8.376 8.141 0.235 1 1 589 . 11 1 1 A 101 101 GLN CA C 186 57.741 58.917 -1.176 1 1 590 . 11 1 1 A 101 101 GLN N N 186 116.213 118.228 -2.015 1 1 592 . 11 1 1 A 102 102 HIS H H 187 8.199 8.200 -0.001 1 1 593 . 11 1 1 A 102 102 HIS HA H 187 4.593 4.695 -0.102 1 1 596 . 11 1 1 A 102 102 HIS CA C 187 59.062 59.238 -0.176 1 1 597 . 11 1 1 A 102 102 HIS CB C 187 30.384 29.653 0.731 1 1 598 . 11 1 1 A 102 102 HIS N N 187 118.199 119.930 -1.731 1 1 599 . 11 1 1 A 103 103 THR H H 188 8.245 8.383 -0.138 1 1 600 . 11 1 1 A 103 103 THR HA H 188 4.184 4.178 0.006 1 1 605 . 11 1 1 A 103 103 THR CA C 188 65.017 65.058 -0.041 1 1 606 . 11 1 1 A 103 103 THR CB C 188 69.167 69.009 0.158 1 1 608 . 11 1 1 A 103 103 THR N N 188 113.748 114.490 -0.742 1 1 609 . 11 1 1 A 104 104 VAL H H 189 8.013 8.085 -0.072 1 1 610 . 11 1 1 A 104 104 VAL HA H 189 4.004 3.611 0.393 1 1 618 . 11 1 1 A 104 104 VAL CA C 189 65.151 66.962 -1.811 1 1 619 . 11 1 1 A 104 104 VAL CB C 189 31.743 31.796 -0.053 1 1 622 . 11 1 1 A 104 104 VAL N N 189 122.142 120.785 1.357 1 1 623 . 11 1 1 A 105 105 THR H H 190 8.092 7.847 0.245 1 1 624 . 11 1 1 A 105 105 THR HA H 190 4.250 3.979 0.271 1 1 629 . 11 1 1 A 105 105 THR CA C 190 64.314 65.865 -1.551 1 1 630 . 11 1 1 A 105 105 THR CB C 190 69.159 68.258 0.901 1 1 632 . 11 1 1 A 105 105 THR N N 190 115.022 116.061 -1.039 1 1 633 . 11 1 1 A 106 106 THR H H 191 8.017 7.761 0.256 1 1 634 . 11 1 1 A 106 106 THR HA H 191 4.214 4.105 0.109 1 1 639 . 11 1 1 A 106 106 THR CA C 191 63.874 65.825 -1.951 1 1 640 . 11 1 1 A 106 106 THR CB C 191 69.009 68.595 0.414 1 1 642 . 11 1 1 A 106 106 THR N N 191 114.622 116.847 -2.225 1 1 643 . 11 1 1 A 107 107 THR H H 192 8.194 7.860 0.334 1 1 644 . 11 1 1 A 107 107 THR CA C 192 64.201 66.016 -1.815 1 1 645 . 11 1 1 A 107 107 THR CB C 192 69.159 68.196 0.963 1 1 647 . 11 1 1 A 107 107 THR N N 192 116.611 117.253 -0.642 1 1 648 . 11 1 1 A 108 108 THR H H 193 7.932 8.214 -0.282 1 1 649 . 11 1 1 A 108 108 THR CA C 193 63.871 66.165 -2.294 1 1 650 . 11 1 1 A 108 108 THR CB C 193 69.002 68.501 0.501 1 1 652 . 11 1 1 A 108 108 THR N N 193 116.096 117.508 -1.412 1 1 653 . 11 1 1 A 109 109 LYS H H 194 7.821 7.582 0.239 1 1 654 . 11 1 1 A 109 109 LYS HA H 194 4.364 4.392 -0.028 1 1 663 . 11 1 1 A 109 109 LYS CA C 194 56.285 55.978 0.307 1 1 664 . 11 1 1 A 109 109 LYS CB C 194 32.636 33.281 -0.645 1 1 668 . 11 1 1 A 109 109 LYS N N 194 120.975 118.235 2.740 1 1 669 . 11 1 1 A 110 110 GLY H H 195 8.109 8.421 -0.312 1 1 670 . 11 1 1 A 110 110 GLY HA2 H 195 3.858 3.912 -0.054 1 1 671 . 11 1 1 A 110 110 GLY HA3 H 195 4.083 3.915 0.168 1 1 672 . 11 1 1 A 110 110 GLY CA C 195 45.511 46.544 -1.033 1 1 673 . 11 1 1 A 110 110 GLY N N 195 108.675 109.501 -0.826 1 1 674 . 11 1 1 A 111 111 GLU H H 196 7.706 7.882 -0.176 1 1 675 . 11 1 1 A 111 111 GLU HA H 196 4.258 4.971 -0.713 1 1 680 . 11 1 1 A 111 111 GLU CA C 196 55.837 54.281 1.556 1 1 681 . 11 1 1 A 111 111 GLU CB C 196 30.673 33.815 -3.142 1 1 683 . 11 1 1 A 111 111 GLU N N 196 120.028 119.267 0.761 1 1 684 . 11 1 1 A 112 112 ASN H H 197 8.460 8.606 -0.146 1 1 685 . 11 1 1 A 112 112 ASN HA H 197 4.668 5.301 -0.633 1 1 690 . 11 1 1 A 112 112 ASN CA C 197 52.923 51.885 1.038 1 1 691 . 11 1 1 A 112 112 ASN CB C 197 40.491 40.984 -0.493 1 1 692 . 11 1 1 A 112 112 ASN N N 197 119.716 119.343 0.373 1 1 694 . 11 1 1 A 113 113 PHE H H 198 8.655 8.151 0.504 1 1 695 . 11 1 1 A 113 113 PHE HA H 198 5.262 5.818 -0.556 1 1 698 . 11 1 1 A 113 113 PHE CA C 198 56.640 55.245 1.395 1 1 699 . 11 1 1 A 113 113 PHE CB C 198 39.899 42.406 -2.507 1 1 700 . 11 1 1 A 113 113 PHE N N 198 122.046 117.789 4.257 1 1 701 . 11 1 1 A 114 114 THR H H 199 9.506 8.904 0.602 1 1 702 . 11 1 1 A 114 114 THR HA H 199 4.625 4.839 -0.214 1 1 707 . 11 1 1 A 114 114 THR CA C 199 60.305 60.175 0.130 1 1 708 . 11 1 1 A 114 114 THR CB C 199 72.033 71.632 0.401 1 1 710 . 11 1 1 A 114 114 THR N N 199 116.124 113.903 2.221 1 1 711 . 11 1 1 A 115 115 GLU H H 200 9.120 9.169 -0.049 1 1 712 . 11 1 1 A 115 115 GLU HA H 200 4.051 4.129 -0.078 1 1 717 . 11 1 1 A 115 115 GLU CA C 200 59.877 59.609 0.268 1 1 718 . 11 1 1 A 115 115 GLU CB C 200 28.787 29.212 -0.425 1 1 720 . 11 1 1 A 115 115 GLU N N 200 119.993 121.485 -1.492 1 1 721 . 11 1 1 A 116 116 THR H H 201 7.955 7.742 0.213 1 1 722 . 11 1 1 A 116 116 THR HA H 201 3.794 4.124 -0.330 1 1 727 . 11 1 1 A 116 116 THR CA C 201 66.734 66.385 0.349 1 1 728 . 11 1 1 A 116 116 THR CB C 201 68.624 69.216 -0.592 1 1 730 . 11 1 1 A 116 116 THR N N 201 116.160 116.993 -0.833 1 1 731 . 11 1 1 A 117 117 ASP H H 202 7.505 8.070 -0.565 1 1 732 . 11 1 1 A 117 117 ASP HA H 202 4.577 4.507 0.070 1 1 735 . 11 1 1 A 117 117 ASP CA C 202 58.057 57.392 0.665 1 1 736 . 11 1 1 A 117 117 ASP CB C 202 41.747 41.069 0.678 1 1 737 . 11 1 1 A 117 117 ASP N N 202 120.175 121.403 -1.228 1 1 738 . 11 1 1 A 118 118 VAL H H 203 8.236 8.490 -0.254 1 1 739 . 11 1 1 A 118 118 VAL HA H 203 3.324 3.805 -0.481 1 1 747 . 11 1 1 A 118 118 VAL CA C 203 67.799 64.793 3.006 1 1 748 . 11 1 1 A 118 118 VAL CB C 203 31.269 31.316 -0.047 1 1 751 . 11 1 1 A 118 118 VAL N N 203 119.654 118.500 1.154 1 1 752 . 11 1 1 A 119 119 LYS H H 204 7.740 7.890 -0.150 1 1 753 . 11 1 1 A 119 119 LYS HA H 204 4.090 4.027 0.063 1 1 762 . 11 1 1 A 119 119 LYS CA C 204 59.368 59.276 0.092 1 1 763 . 11 1 1 A 119 119 LYS CB C 204 32.165 32.082 0.083 1 1 767 . 11 1 1 A 119 119 LYS N N 204 119.288 122.327 -3.039 1 1 768 . 11 1 1 A 120 120 MET H H 205 8.235 7.891 0.344 1 1 769 . 11 1 1 A 120 120 MET HA H 205 4.158 4.226 -0.068 1 1 777 . 11 1 1 A 120 120 MET CA C 205 59.819 58.526 1.293 1 1 778 . 11 1 1 A 120 120 MET CB C 205 33.078 32.491 0.587 1 1 781 . 11 1 1 A 120 120 MET N N 205 118.767 119.450 -0.683 1 1 782 . 11 1 1 A 121 121 MET H H 206 8.755 8.641 0.114 1 1 783 . 11 1 1 A 121 121 MET HA H 206 3.580 4.189 -0.609 1 1 791 . 11 1 1 A 121 121 MET CA C 206 59.639 58.338 1.301 1 1 792 . 11 1 1 A 121 121 MET CB C 206 32.777 32.556 0.221 1 1 795 . 11 1 1 A 121 121 MET N N 206 118.428 118.178 0.250 1 1 796 . 11 1 1 A 122 122 GLU H H 207 8.419 7.839 0.580 1 1 797 . 11 1 1 A 122 122 GLU HA H 207 3.688 3.925 -0.237 1 1 802 . 11 1 1 A 122 122 GLU CA C 207 60.390 59.492 0.898 1 1 803 . 11 1 1 A 122 122 GLU CB C 207 28.448 29.222 -0.774 1 1 805 . 11 1 1 A 122 122 GLU N N 207 118.469 121.511 -3.042 1 1 806 . 11 1 1 A 123 123 ARG H H 208 7.344 7.657 -0.313 1 1 807 . 11 1 1 A 123 123 ARG HA H 208 4.163 3.954 0.209 1 1 815 . 11 1 1 A 123 123 ARG CA C 208 58.537 59.247 -0.710 1 1 816 . 11 1 1 A 123 123 ARG CB C 208 29.925 29.999 -0.074 1 1 819 . 11 1 1 A 123 123 ARG N N 208 116.990 120.026 -3.036 1 1 821 . 11 1 1 A 124 124 VAL H H 209 8.299 7.405 0.894 1 1 822 . 11 1 1 A 124 124 VAL HA H 209 3.798 3.692 0.106 1 1 830 . 11 1 1 A 124 124 VAL CA C 209 65.995 65.909 0.086 1 1 831 . 11 1 1 A 124 124 VAL CB C 209 32.075 31.769 0.306 1 1 834 . 11 1 1 A 124 124 VAL N N 209 119.301 119.173 0.128 1 1 835 . 11 1 1 A 125 125 VAL H H 210 9.016 8.467 0.549 1 1 836 . 11 1 1 A 125 125 VAL HA H 210 3.643 3.641 0.002 1 1 844 . 11 1 1 A 125 125 VAL CA C 210 66.591 66.515 0.076 1 1 845 . 11 1 1 A 125 125 VAL CB C 210 31.836 31.681 0.155 1 1 848 . 11 1 1 A 125 125 VAL N N 210 121.312 121.149 0.163 1 1 849 . 11 1 1 A 126 126 GLU H H 211 8.153 8.036 0.117 1 1 850 . 11 1 1 A 126 126 GLU HA H 211 3.622 3.991 -0.369 1 1 855 . 11 1 1 A 126 126 GLU CA C 211 60.997 59.832 1.165 1 1 856 . 11 1 1 A 126 126 GLU CB C 211 28.921 28.871 0.050 1 1 858 . 11 1 1 A 126 126 GLU N N 211 120.456 119.841 0.615 1 1 859 . 11 1 1 A 127 127 GLN H H 212 7.274 7.648 -0.374 1 1 862 . 11 1 1 A 127 127 GLN CA C 212 58.803 58.782 0.021 1 1 863 . 11 1 1 A 127 127 GLN N N 212 115.025 119.435 -4.410 1 1 865 . 11 1 1 A 128 128 MET H H 213 8.324 8.022 0.302 1 1 866 . 11 1 1 A 128 128 MET HA H 213 4.146 4.190 -0.044 1 1 872 . 11 1 1 A 128 128 MET CA C 213 59.976 58.796 1.180 1 1 873 . 11 1 1 A 128 128 MET CB C 213 31.911 32.297 -0.386 1 1 875 . 11 1 1 A 128 128 MET N N 213 119.344 117.639 1.705 1 1 876 . 11 1 1 A 129 129 CYS H H 214 9.219 7.808 1.411 1 1 877 . 11 1 1 A 129 129 CYS CA C 214 59.821 62.335 -2.514 1 1 878 . 11 1 1 A 129 129 CYS N N 214 118.992 119.312 -0.320 1 1 879 . 11 1 1 A 130 130 ILE H H 215 8.340 7.515 0.825 1 1 880 . 11 1 1 A 130 130 ILE HA H 215 3.563 3.887 -0.324 1 1 890 . 11 1 1 A 130 130 ILE CA C 215 66.751 64.623 2.128 1 1 891 . 11 1 1 A 130 130 ILE CB C 215 37.814 36.954 0.860 1 1 895 . 11 1 1 A 130 130 ILE N N 215 123.750 121.887 1.863 1 1 896 . 11 1 1 A 131 131 THR H H 216 8.142 8.132 0.010 1 1 897 . 11 1 1 A 131 131 THR HA H 216 3.940 3.934 0.006 1 1 902 . 11 1 1 A 131 131 THR CA C 216 66.898 66.856 0.042 1 1 903 . 11 1 1 A 131 131 THR CB C 216 69.608 68.556 1.052 1 1 905 . 11 1 1 A 131 131 THR N N 216 118.528 117.803 0.725 1 1 906 . 11 1 1 A 132 132 GLN H H 217 8.687 7.697 0.990 1 1 907 . 11 1 1 A 132 132 GLN HA H 217 3.688 3.913 -0.225 1 1 914 . 11 1 1 A 132 132 GLN CA C 217 58.527 58.500 0.027 1 1 915 . 11 1 1 A 132 132 GLN CB C 217 28.353 28.072 0.281 1 1 917 . 11 1 1 A 132 132 GLN N N 217 121.765 120.257 1.508 1 1 919 . 11 1 1 A 133 133 TYR HA H 218 4.532 4.787 -0.255 1 1 926 . 11 1 1 A 133 133 TYR CA C 218 55.867 57.357 -1.490 1 1 927 . 11 1 1 A 133 133 TYR CB C 218 37.912 38.413 -0.501 1 1 930 . 11 1 1 A 134 134 GLU H H 219 8.293 8.908 -0.615 1 1 931 . 11 1 1 A 134 134 GLU HA H 219 3.689 4.112 -0.423 1 1 936 . 11 1 1 A 134 134 GLU CA C 219 59.268 59.243 0.025 1 1 937 . 11 1 1 A 134 134 GLU CB C 219 28.324 29.070 -0.746 1 1 939 . 11 1 1 A 134 134 GLU N N 219 120.400 124.633 -4.233 1 1 940 . 11 1 1 A 135 135 ARG H H 220 7.887 8.153 -0.266 1 1 941 . 11 1 1 A 135 135 ARG HA H 220 3.981 4.046 -0.065 1 1 949 . 11 1 1 A 135 135 ARG CA C 220 59.266 59.592 -0.326 1 1 950 . 11 1 1 A 135 135 ARG CB C 220 30.337 29.848 0.489 1 1 953 . 11 1 1 A 135 135 ARG N N 220 118.589 120.248 -1.659 1 1 955 . 11 1 1 A 137 137 SER HA H 222 3.954 4.279 -0.325 1 1 958 . 11 1 1 A 137 137 SER CA C 222 60.572 61.639 -1.067 1 1 959 . 11 1 1 A 137 137 SER CB C 222 62.761 63.195 -0.434 1 1 960 . 11 1 1 A 138 138 GLN H H 223 7.624 7.810 -0.186 1 1 961 . 11 1 1 A 138 138 GLN HA H 223 4.153 4.354 -0.201 1 1 968 . 11 1 1 A 138 138 GLN CA C 223 57.658 58.609 -0.951 1 1 969 . 11 1 1 A 138 138 GLN CB C 223 28.370 28.108 0.262 1 1 971 . 11 1 1 A 138 138 GLN N N 223 120.575 121.106 -0.531 1 1 973 . 11 1 1 A 139 139 ALA H H 224 7.627 8.052 -0.425 1 1 974 . 11 1 1 A 139 139 ALA HA H 224 4.156 4.211 -0.055 1 1 978 . 11 1 1 A 139 139 ALA CA C 224 54.017 54.774 -0.757 1 1 979 . 11 1 1 A 139 139 ALA CB C 224 18.645 18.580 0.065 1 1 980 . 11 1 1 A 139 139 ALA N N 224 121.263 122.104 -0.841 1 1 981 . 11 1 1 A 140 140 TYR H H 225 8.048 8.481 -0.433 1 1 982 . 11 1 1 A 140 140 TYR HA H 225 4.204 4.406 -0.202 1 1 989 . 11 1 1 A 140 140 TYR CA C 225 59.890 60.618 -0.728 1 1 990 . 11 1 1 A 140 140 TYR CB C 225 38.994 36.996 1.998 1 1 993 . 11 1 1 A 140 140 TYR N N 225 118.980 117.244 1.736 1 1 994 . 11 1 1 A 141 141 TYR H H 226 7.948 7.696 0.252 1 1 995 . 11 1 1 A 141 141 TYR HA H 226 4.375 3.545 0.830 1 1 1002 . 11 1 1 A 141 141 TYR CA C 226 59.036 61.190 -2.154 1 1 1003 . 11 1 1 A 141 141 TYR CB C 226 38.060 38.654 -0.594 1 1 1006 . 11 1 1 A 141 141 TYR N N 226 118.596 121.662 -3.066 1 1 1007 . 11 1 1 A 142 142 GLN H H 227 7.941 8.025 -0.084 1 1 1008 . 11 1 1 A 142 142 GLN HA H 227 4.240 4.826 -0.586 1 1 1015 . 11 1 1 A 142 142 GLN CA C 227 56.346 54.847 1.499 1 1 1016 . 11 1 1 A 142 142 GLN CB C 227 28.912 30.952 -2.040 1 1 1018 . 11 1 1 A 142 142 GLN N N 227 119.883 117.551 2.332 1 1 1020 . 11 1 1 A 143 143 ARG H H 228 7.966 8.668 -0.702 1 1 1021 . 11 1 1 A 143 143 ARG HA H 228 4.244 5.058 -0.814 1 1 1029 . 11 1 1 A 143 143 ARG CA C 228 56.719 54.812 1.907 1 1 1030 . 11 1 1 A 143 143 ARG CB C 228 30.731 33.481 -2.750 1 1 1033 . 11 1 1 A 143 143 ARG N N 228 120.871 118.871 2.000 1 1 1035 . 11 1 1 A 144 144 GLY H H 229 8.247 8.480 -0.233 1 1 1036 . 11 1 1 A 144 144 GLY HA2 H 229 3.992 4.129 -0.137 1 1 1037 . 11 1 1 A 144 144 GLY HA3 H 229 3.992 4.129 -0.137 1 1 1038 . 11 1 1 A 144 144 GLY CA C 229 45.359 44.445 0.914 1 1 1039 . 11 1 1 A 144 144 GLY N N 229 109.072 107.362 1.710 1 1 1040 . 11 1 1 A 145 145 SER H H 230 8.139 8.514 -0.375 1 1 1041 . 11 1 1 A 145 145 SER HA H 230 4.506 4.943 -0.437 1 1 1044 . 11 1 1 A 145 145 SER CA C 230 58.123 57.844 0.279 1 1 1045 . 11 1 1 A 145 145 SER CB C 230 63.878 65.796 -1.918 1 1 1046 . 11 1 1 A 145 145 SER N N 230 115.684 113.672 2.012 1 1 16 . 12 1 1 A 41 41 GLY H H 126 8.484 9.026 -0.542 1 1 17 . 12 1 1 A 41 41 GLY HA2 H 126 3.861 4.120 -0.259 1 1 18 . 12 1 1 A 41 41 GLY HA3 H 126 3.920 4.127 -0.207 1 1 19 . 12 1 1 A 41 41 GLY CA C 126 46.260 45.411 0.849 1 1 20 . 12 1 1 A 41 41 GLY N N 126 109.470 114.510 -5.040 1 1 21 . 12 1 1 A 42 42 GLY H H 127 8.326 8.621 -0.295 1 1 22 . 12 1 1 A 42 42 GLY HA2 H 127 3.749 4.089 -0.340 1 1 23 . 12 1 1 A 42 42 GLY HA3 H 127 3.900 4.203 -0.303 1 1 24 . 12 1 1 A 42 42 GLY CA C 127 45.226 45.886 -0.660 1 1 25 . 12 1 1 A 42 42 GLY N N 127 109.020 112.205 -3.185 1 1 26 . 12 1 1 A 43 43 TYR H H 128 7.692 8.439 -0.747 1 1 27 . 12 1 1 A 43 43 TYR HA H 128 4.675 5.183 -0.508 1 1 34 . 12 1 1 A 43 43 TYR CA C 128 57.271 56.715 0.556 1 1 35 . 12 1 1 A 43 43 TYR CB C 128 40.257 40.319 -0.062 1 1 38 . 12 1 1 A 43 43 TYR N N 128 117.301 118.133 -0.832 1 1 39 . 12 1 1 A 44 44 VAL H H 129 8.974 8.671 0.303 1 1 40 . 12 1 1 A 44 44 VAL HA H 129 4.344 4.128 0.216 1 1 48 . 12 1 1 A 44 44 VAL CA C 129 59.555 62.791 -3.236 1 1 49 . 12 1 1 A 44 44 VAL CB C 129 34.728 31.982 2.746 1 1 52 . 12 1 1 A 44 44 VAL N N 129 118.589 126.241 -7.652 1 1 53 . 12 1 1 A 45 45 LEU H H 130 8.029 8.490 -0.461 1 1 62 . 12 1 1 A 45 45 LEU N N 130 123.350 128.715 -5.365 1 1 63 . 12 1 1 A 46 46 GLY H H 131 9.278 8.281 0.997 1 1 64 . 12 1 1 A 46 46 GLY CA C 131 44.842 46.069 -1.227 1 1 65 . 12 1 1 A 46 46 GLY N N 131 114.623 112.523 2.100 1 1 66 . 12 1 1 A 47 47 SER H H 132 8.315 7.656 0.659 1 1 67 . 12 1 1 A 47 47 SER HA H 132 4.438 4.671 -0.233 1 1 70 . 12 1 1 A 47 47 SER CA C 132 58.520 57.093 1.427 1 1 71 . 12 1 1 A 47 47 SER CB C 132 64.166 65.170 -1.004 1 1 72 . 12 1 1 A 47 47 SER N N 132 113.038 112.121 0.917 1 1 73 . 12 1 1 A 48 48 ALA H H 133 8.736 8.216 0.520 1 1 74 . 12 1 1 A 48 48 ALA HA H 133 4.425 4.537 -0.112 1 1 78 . 12 1 1 A 48 48 ALA CA C 133 53.090 51.544 1.546 1 1 79 . 12 1 1 A 48 48 ALA CB C 133 18.465 20.306 -1.841 1 1 80 . 12 1 1 A 48 48 ALA N N 133 125.270 123.945 1.325 1 1 81 . 12 1 1 A 49 49 MET H H 134 8.758 8.718 0.040 1 1 82 . 12 1 1 A 49 49 MET HA H 134 4.754 4.943 -0.189 1 1 90 . 12 1 1 A 49 49 MET CA C 134 53.972 53.974 -0.002 1 1 91 . 12 1 1 A 49 49 MET CB C 134 37.222 37.667 -0.445 1 1 94 . 12 1 1 A 49 49 MET N N 134 120.911 118.410 2.501 1 1 95 . 12 1 1 A 50 50 SER H H 135 8.430 8.534 -0.104 1 1 96 . 12 1 1 A 50 50 SER HA H 135 4.356 4.595 -0.239 1 1 99 . 12 1 1 A 50 50 SER CA C 135 58.630 59.922 -1.292 1 1 100 . 12 1 1 A 50 50 SER CB C 135 63.575 63.270 0.305 1 1 101 . 12 1 1 A 50 50 SER N N 135 116.162 116.833 -0.671 1 1 102 . 12 1 1 A 51 51 ARG H H 136 8.646 8.677 -0.031 1 1 103 . 12 1 1 A 51 51 ARG HA H 136 4.434 4.890 -0.456 1 1 111 . 12 1 1 A 51 51 ARG CA C 136 54.863 53.833 1.030 1 1 112 . 12 1 1 A 51 51 ARG CB C 136 30.519 31.075 -0.556 1 1 115 . 12 1 1 A 51 51 ARG N N 136 126.460 126.107 0.353 1 1 117 . 12 1 1 A 52 52 PRO HA H 137 4.413 4.567 -0.154 1 1 124 . 12 1 1 A 52 52 PRO CA C 137 62.198 62.220 -0.022 1 1 125 . 12 1 1 A 52 52 PRO CB C 137 32.165 33.105 -0.940 1 1 128 . 12 1 1 A 53 53 ILE H H 138 8.647 8.325 0.322 1 1 129 . 12 1 1 A 53 53 ILE HA H 138 4.160 4.088 0.072 1 1 139 . 12 1 1 A 53 53 ILE CA C 138 60.851 61.233 -0.382 1 1 140 . 12 1 1 A 53 53 ILE CB C 138 36.101 37.653 -1.552 1 1 144 . 12 1 1 A 53 53 ILE N N 138 122.534 121.462 1.072 1 1 145 . 12 1 1 A 54 54 ILE H H 139 6.485 8.309 -1.824 1 1 146 . 12 1 1 A 54 54 ILE HA H 139 3.926 4.511 -0.585 1 1 156 . 12 1 1 A 54 54 ILE CA C 139 58.665 59.366 -0.701 1 1 157 . 12 1 1 A 54 54 ILE CB C 139 39.251 40.244 -0.993 1 1 161 . 12 1 1 A 54 54 ILE N N 139 126.733 128.711 -1.978 1 1 162 . 12 1 1 A 55 55 HIS H H 140 8.249 8.538 -0.289 1 1 163 . 12 1 1 A 55 55 HIS HA H 140 4.935 4.125 0.810 1 1 167 . 12 1 1 A 55 55 HIS CA C 140 54.209 56.766 -2.557 1 1 168 . 12 1 1 A 55 55 HIS CB C 140 29.326 29.550 -0.224 1 1 170 . 12 1 1 A 55 55 HIS N N 140 122.048 125.348 -3.300 1 1 171 . 12 1 1 A 56 56 PHE H H 141 10.205 8.403 1.802 1 1 172 . 12 1 1 A 56 56 PHE HA H 141 4.360 3.873 0.487 1 1 175 . 12 1 1 A 56 56 PHE CA C 141 59.367 60.651 -1.284 1 1 176 . 12 1 1 A 56 56 PHE CB C 141 41.594 39.238 2.356 1 1 177 . 12 1 1 A 56 56 PHE N N 141 124.145 124.637 -0.492 1 1 178 . 12 1 1 A 57 57 GLY H H 142 9.008 8.360 0.648 1 1 179 . 12 1 1 A 57 57 GLY HA2 H 142 3.835 4.032 -0.197 1 1 180 . 12 1 1 A 57 57 GLY HA3 H 142 4.168 4.036 0.132 1 1 181 . 12 1 1 A 57 57 GLY CA C 142 45.777 45.447 0.330 1 1 182 . 12 1 1 A 57 57 GLY N N 142 108.268 107.079 1.189 1 1 183 . 12 1 1 A 58 58 SER H H 143 7.327 7.902 -0.575 1 1 184 . 12 1 1 A 58 58 SER HA H 143 4.820 4.830 -0.010 1 1 187 . 12 1 1 A 58 58 SER CA C 143 56.405 57.146 -0.741 1 1 188 . 12 1 1 A 58 58 SER CB C 143 66.034 65.592 0.442 1 1 189 . 12 1 1 A 58 58 SER N N 143 111.827 115.276 -3.449 1 1 190 . 12 1 1 A 59 59 ASP H H 144 9.051 9.175 -0.124 1 1 191 . 12 1 1 A 59 59 ASP HA H 144 4.502 4.138 0.364 1 1 194 . 12 1 1 A 59 59 ASP CA C 144 57.676 57.147 0.529 1 1 195 . 12 1 1 A 59 59 ASP CB C 144 40.505 40.245 0.260 1 1 196 . 12 1 1 A 59 59 ASP N N 144 124.541 128.003 -3.462 1 1 197 . 12 1 1 A 60 60 TYR H H 145 8.571 7.804 0.767 1 1 198 . 12 1 1 A 60 60 TYR HA H 145 4.197 4.248 -0.051 1 1 205 . 12 1 1 A 60 60 TYR CA C 145 61.232 61.286 -0.054 1 1 206 . 12 1 1 A 60 60 TYR CB C 145 37.912 37.842 0.070 1 1 209 . 12 1 1 A 60 60 TYR N N 145 118.914 119.566 -0.652 1 1 210 . 12 1 1 A 61 61 GLU H H 146 7.737 8.443 -0.706 1 1 211 . 12 1 1 A 61 61 GLU HA H 146 3.590 4.217 -0.627 1 1 216 . 12 1 1 A 61 61 GLU CA C 146 59.607 59.641 -0.034 1 1 217 . 12 1 1 A 61 61 GLU CB C 146 30.059 29.163 0.896 1 1 219 . 12 1 1 A 61 61 GLU N N 146 118.985 120.148 -1.163 1 1 220 . 12 1 1 A 62 62 ASP H H 147 8.213 8.452 -0.239 1 1 221 . 12 1 1 A 62 62 ASP HA H 147 4.666 4.408 0.258 1 1 224 . 12 1 1 A 62 62 ASP CA C 147 58.292 57.358 0.934 1 1 225 . 12 1 1 A 62 62 ASP CB C 147 40.171 41.570 -1.399 1 1 226 . 12 1 1 A 62 62 ASP N N 147 119.785 119.995 -0.210 1 1 227 . 12 1 1 A 63 63 ARG H H 148 8.229 7.887 0.342 1 1 228 . 12 1 1 A 63 63 ARG HA H 148 4.016 3.980 0.036 1 1 236 . 12 1 1 A 63 63 ARG CA C 148 59.611 59.733 -0.122 1 1 237 . 12 1 1 A 63 63 ARG CB C 148 30.059 30.198 -0.139 1 1 240 . 12 1 1 A 63 63 ARG N N 148 120.339 119.289 1.050 1 1 242 . 12 1 1 A 64 64 TYR H H 149 8.340 8.433 -0.093 1 1 243 . 12 1 1 A 64 64 TYR HA H 149 3.829 4.304 -0.475 1 1 250 . 12 1 1 A 64 64 TYR CA C 149 61.991 61.131 0.860 1 1 251 . 12 1 1 A 64 64 TYR CB C 149 38.417 38.397 0.020 1 1 254 . 12 1 1 A 64 64 TYR N N 149 121.093 121.126 -0.033 1 1 255 . 12 1 1 A 65 65 TYR H H 150 8.979 8.530 0.449 1 1 256 . 12 1 1 A 65 65 TYR HA H 150 4.132 4.263 -0.131 1 1 263 . 12 1 1 A 65 65 TYR CA C 150 62.691 60.883 1.808 1 1 264 . 12 1 1 A 65 65 TYR CB C 150 38.025 39.092 -1.067 1 1 267 . 12 1 1 A 65 65 TYR N N 150 120.575 120.934 -0.359 1 1 268 . 12 1 1 A 66 66 ARG H H 151 7.997 8.074 -0.077 1 1 269 . 12 1 1 A 66 66 ARG HA H 151 3.925 3.868 0.057 1 1 277 . 12 1 1 A 66 66 ARG CA C 151 60.050 59.004 1.046 1 1 278 . 12 1 1 A 66 66 ARG CB C 151 29.901 29.750 0.151 1 1 281 . 12 1 1 A 66 66 ARG N N 151 117.799 118.645 -0.846 1 1 283 . 12 1 1 A 67 67 GLU H H 152 8.076 7.689 0.387 1 1 284 . 12 1 1 A 67 67 GLU HA H 152 4.082 4.087 -0.005 1 1 289 . 12 1 1 A 67 67 GLU CA C 152 58.125 58.316 -0.191 1 1 290 . 12 1 1 A 67 67 GLU CB C 152 29.743 29.523 0.220 1 1 292 . 12 1 1 A 67 67 GLU N N 152 116.601 117.136 -0.535 1 1 293 . 12 1 1 A 68 68 ASN H H 153 7.621 8.031 -0.410 1 1 294 . 12 1 1 A 68 68 ASN HA H 153 4.321 4.612 -0.291 1 1 299 . 12 1 1 A 68 68 ASN CA C 153 54.958 56.224 -1.266 1 1 300 . 12 1 1 A 68 68 ASN CB C 153 41.041 38.546 2.495 1 1 301 . 12 1 1 A 68 68 ASN N N 153 114.623 118.630 -4.007 1 1 303 . 12 1 1 A 69 69 MET H H 154 8.105 8.293 -0.188 1 1 304 . 12 1 1 A 69 69 MET HA H 154 3.458 4.049 -0.591 1 1 312 . 12 1 1 A 69 69 MET CA C 154 59.104 58.093 1.011 1 1 313 . 12 1 1 A 69 69 MET CB C 154 30.533 31.823 -1.290 1 1 316 . 12 1 1 A 69 69 MET N N 154 119.633 117.894 1.739 1 1 317 . 12 1 1 A 70 70 HIS H H 155 8.070 7.852 0.218 1 1 319 . 12 1 1 A 70 70 HIS CA C 155 57.650 59.236 -1.586 1 1 320 . 12 1 1 A 70 70 HIS CB C 155 27.591 30.289 -2.698 1 1 322 . 12 1 1 A 70 70 HIS N N 155 115.018 117.755 -2.737 1 1 323 . 12 1 1 A 71 71 ARG H H 156 7.618 7.854 -0.236 1 1 325 . 12 1 1 A 71 71 ARG CA C 156 56.278 55.439 0.839 1 1 326 . 12 1 1 A 71 71 ARG CB C 156 30.770 30.670 0.100 1 1 329 . 12 1 1 A 71 71 ARG N N 156 118.197 115.330 2.867 1 1 331 . 12 1 1 A 72 72 TYR H H 157 7.473 7.901 -0.428 1 1 332 . 12 1 1 A 72 72 TYR HA H 157 5.034 4.669 0.365 1 1 339 . 12 1 1 A 72 72 TYR CA C 157 52.768 56.652 -3.884 1 1 340 . 12 1 1 A 72 72 TYR CB C 157 35.150 38.515 -3.365 1 1 343 . 12 1 1 A 72 72 TYR N N 157 120.873 118.963 1.910 1 1 344 . 12 1 1 A 73 73 PRO HA H 158 4.425 4.599 -0.174 1 1 351 . 12 1 1 A 73 73 PRO CA C 158 63.737 62.808 0.929 1 1 352 . 12 1 1 A 73 73 PRO CB C 158 32.071 31.938 0.133 1 1 355 . 12 1 1 A 74 74 ASN H H 159 8.562 8.346 0.216 1 1 356 . 12 1 1 A 74 74 ASN HA H 159 4.708 4.872 -0.164 1 1 361 . 12 1 1 A 74 74 ASN CA C 159 51.965 51.998 -0.033 1 1 362 . 12 1 1 A 74 74 ASN CB C 159 37.898 38.820 -0.922 1 1 363 . 12 1 1 A 74 74 ASN N N 159 116.213 116.676 -0.463 1 1 365 . 12 1 1 A 75 75 GLN H H 160 7.302 7.647 -0.345 1 1 366 . 12 1 1 A 75 75 GLN HA H 160 4.479 4.649 -0.170 1 1 371 . 12 1 1 A 75 75 GLN CA C 160 54.184 54.482 -0.298 1 1 372 . 12 1 1 A 75 75 GLN CB C 160 34.167 32.310 1.857 1 1 373 . 12 1 1 A 75 75 GLN N N 160 114.122 119.351 -5.229 1 1 375 . 12 1 1 A 76 76 VAL H H 161 8.635 8.589 0.046 1 1 376 . 12 1 1 A 76 76 VAL HA H 161 4.916 4.931 -0.015 1 1 384 . 12 1 1 A 76 76 VAL CA C 161 58.557 59.966 -1.409 1 1 385 . 12 1 1 A 76 76 VAL CB C 161 33.635 34.706 -1.071 1 1 388 . 12 1 1 A 76 76 VAL N N 161 112.903 117.591 -4.688 1 1 389 . 12 1 1 A 77 77 TYR H H 162 8.554 8.542 0.012 1 1 390 . 12 1 1 A 77 77 TYR HA H 162 5.440 5.180 0.260 1 1 397 . 12 1 1 A 77 77 TYR CA C 162 57.057 56.176 0.881 1 1 398 . 12 1 1 A 77 77 TYR CB C 162 42.147 41.583 0.564 1 1 401 . 12 1 1 A 77 77 TYR N N 162 120.972 123.717 -2.745 1 1 402 . 12 1 1 A 78 78 TYR H H 163 8.686 8.624 0.062 1 1 403 . 12 1 1 A 78 78 TYR HA H 163 4.797 5.589 -0.792 1 1 410 . 12 1 1 A 78 78 TYR CA C 163 55.484 55.560 -0.076 1 1 413 . 12 1 1 A 78 78 TYR N N 163 111.059 119.839 -8.780 1 1 429 . 12 1 1 A 86 86 ASN HA H 171 4.733 4.708 0.025 1 1 434 . 12 1 1 A 86 86 ASN CA C 171 52.388 53.206 -0.818 1 1 435 . 12 1 1 A 86 86 ASN CB C 171 39.935 38.927 1.008 1 1 437 . 12 1 1 A 87 87 GLN H H 172 8.740 8.895 -0.155 1 1 440 . 12 1 1 A 87 87 GLN CA C 172 59.906 59.211 0.695 1 1 441 . 12 1 1 A 87 87 GLN CB C 172 29.065 28.312 0.753 1 1 443 . 12 1 1 A 87 87 GLN N N 172 121.279 123.506 -2.227 1 1 445 . 12 1 1 A 88 88 ASN H H 173 8.427 8.355 0.072 1 1 446 . 12 1 1 A 88 88 ASN HA H 173 4.255 4.317 -0.062 1 1 451 . 12 1 1 A 88 88 ASN CA C 173 56.396 57.043 -0.647 1 1 452 . 12 1 1 A 88 88 ASN CB C 173 37.912 39.630 -1.718 1 1 453 . 12 1 1 A 88 88 ASN N N 173 116.210 117.847 -1.637 1 1 455 . 12 1 1 A 89 89 ASN H H 174 8.542 8.234 0.308 1 1 456 . 12 1 1 A 89 89 ASN HA H 174 4.509 4.444 0.065 1 1 461 . 12 1 1 A 89 89 ASN CA C 174 56.013 56.423 -0.410 1 1 462 . 12 1 1 A 89 89 ASN CB C 174 38.359 38.033 0.326 1 1 463 . 12 1 1 A 89 89 ASN N N 174 118.573 116.456 2.117 1 1 465 . 12 1 1 A 90 90 PHE H H 175 8.113 8.040 0.073 1 1 466 . 12 1 1 A 90 90 PHE CA C 175 61.432 61.090 0.342 1 1 467 . 12 1 1 A 90 90 PHE N N 175 120.437 120.830 -0.393 1 1 468 . 12 1 1 A 91 91 VAL H H 176 9.215 8.075 1.140 1 1 469 . 12 1 1 A 91 91 VAL HA H 176 3.608 3.698 -0.090 1 1 477 . 12 1 1 A 91 91 VAL CA C 176 67.888 66.734 1.154 1 1 478 . 12 1 1 A 91 91 VAL CB C 176 32.042 31.646 0.396 1 1 480 . 12 1 1 A 91 91 VAL N N 176 120.071 119.695 0.376 1 1 481 . 12 1 1 A 92 92 HIS H H 177 8.497 7.432 1.065 1 1 482 . 12 1 1 A 92 92 HIS HA H 177 4.353 4.267 0.086 1 1 485 . 12 1 1 A 92 92 HIS CA C 177 59.251 59.948 -0.697 1 1 486 . 12 1 1 A 92 92 HIS CB C 177 28.104 29.860 -1.756 1 1 487 . 12 1 1 A 92 92 HIS N N 177 117.399 118.072 -0.673 1 1 488 . 12 1 1 A 93 93 ASN H H 178 7.860 8.552 -0.692 1 1 489 . 12 1 1 A 93 93 ASN HA H 178 4.521 4.408 0.113 1 1 494 . 12 1 1 A 93 93 ASN CA C 178 56.244 56.294 -0.050 1 1 495 . 12 1 1 A 93 93 ASN CB C 178 37.934 37.672 0.262 1 1 496 . 12 1 1 A 93 93 ASN N N 178 116.474 118.063 -1.589 1 1 498 . 12 1 1 A 94 94 CYS H H 179 8.133 8.398 -0.265 1 1 499 . 12 1 1 A 94 94 CYS CA C 179 58.595 63.376 -4.781 1 1 500 . 12 1 1 A 94 94 CYS CB C 179 40.911 27.092 13.819 1 1 501 . 12 1 1 A 94 94 CYS N N 179 120.418 118.935 1.483 1 1 502 . 12 1 1 A 95 95 VAL H H 180 9.280 7.635 1.645 1 1 503 . 12 1 1 A 95 95 VAL HA H 180 3.654 3.592 0.062 1 1 511 . 12 1 1 A 95 95 VAL CA C 180 66.400 66.924 -0.524 1 1 512 . 12 1 1 A 95 95 VAL CB C 180 31.912 31.414 0.498 1 1 515 . 12 1 1 A 95 95 VAL N N 180 125.212 122.194 3.018 1 1 516 . 12 1 1 A 96 96 ASN H H 181 7.696 8.091 -0.395 1 1 517 . 12 1 1 A 96 96 ASN HA H 181 4.321 4.460 -0.139 1 1 522 . 12 1 1 A 96 96 ASN CA C 181 56.419 56.620 -0.201 1 1 523 . 12 1 1 A 96 96 ASN CB C 181 38.654 38.830 -0.176 1 1 524 . 12 1 1 A 96 96 ASN N N 181 115.816 118.581 -2.765 1 1 526 . 12 1 1 A 97 97 ILE H H 182 8.385 7.576 0.809 1 1 527 . 12 1 1 A 97 97 ILE HA H 182 3.726 3.694 0.032 1 1 537 . 12 1 1 A 97 97 ILE CA C 182 62.446 65.338 -2.892 1 1 538 . 12 1 1 A 97 97 ILE CB C 182 36.464 37.276 -0.812 1 1 542 . 12 1 1 A 97 97 ILE N N 182 118.191 119.383 -1.192 1 1 543 . 12 1 1 A 98 98 THR H H 183 8.157 7.839 0.318 1 1 544 . 12 1 1 A 98 98 THR HA H 183 4.078 4.089 -0.011 1 1 549 . 12 1 1 A 98 98 THR CA C 183 68.807 67.099 1.708 1 1 550 . 12 1 1 A 98 98 THR CB C 183 68.239 68.805 -0.566 1 1 552 . 12 1 1 A 98 98 THR N N 183 117.797 117.848 -0.051 1 1 553 . 12 1 1 A 99 99 ILE H H 184 8.528 7.754 0.774 1 1 554 . 12 1 1 A 99 99 ILE HA H 184 3.727 3.520 0.207 1 1 564 . 12 1 1 A 99 99 ILE CA C 184 65.621 65.430 0.191 1 1 565 . 12 1 1 A 99 99 ILE CB C 184 36.531 37.481 -0.950 1 1 569 . 12 1 1 A 99 99 ILE N N 184 120.576 121.174 -0.598 1 1 570 . 12 1 1 A 100 100 LYS H H 185 7.953 8.321 -0.368 1 1 571 . 12 1 1 A 100 100 LYS HA H 185 4.068 3.909 0.159 1 1 580 . 12 1 1 A 100 100 LYS CA C 185 59.636 59.796 -0.160 1 1 581 . 12 1 1 A 100 100 LYS CB C 185 31.989 32.400 -0.411 1 1 585 . 12 1 1 A 100 100 LYS N N 185 122.562 120.989 1.573 1 1 586 . 12 1 1 A 101 101 GLN H H 186 8.376 7.870 0.506 1 1 589 . 12 1 1 A 101 101 GLN CA C 186 57.741 58.604 -0.863 1 1 590 . 12 1 1 A 101 101 GLN N N 186 116.213 118.483 -2.270 1 1 592 . 12 1 1 A 102 102 HIS H H 187 8.199 7.931 0.268 1 1 593 . 12 1 1 A 102 102 HIS HA H 187 4.593 4.244 0.349 1 1 596 . 12 1 1 A 102 102 HIS CA C 187 59.062 59.404 -0.342 1 1 597 . 12 1 1 A 102 102 HIS CB C 187 30.384 29.865 0.519 1 1 598 . 12 1 1 A 102 102 HIS N N 187 118.199 121.129 -2.930 1 1 599 . 12 1 1 A 103 103 THR H H 188 8.245 8.239 0.006 1 1 600 . 12 1 1 A 103 103 THR HA H 188 4.184 4.037 0.147 1 1 605 . 12 1 1 A 103 103 THR CA C 188 65.017 65.224 -0.207 1 1 606 . 12 1 1 A 103 103 THR CB C 188 69.167 68.853 0.314 1 1 608 . 12 1 1 A 103 103 THR N N 188 113.748 113.952 -0.204 1 1 609 . 12 1 1 A 104 104 VAL H H 189 8.013 8.007 0.006 1 1 610 . 12 1 1 A 104 104 VAL HA H 189 4.004 3.556 0.448 1 1 618 . 12 1 1 A 104 104 VAL CA C 189 65.151 66.910 -1.759 1 1 619 . 12 1 1 A 104 104 VAL CB C 189 31.743 31.733 0.010 1 1 622 . 12 1 1 A 104 104 VAL N N 189 122.142 121.026 1.116 1 1 623 . 12 1 1 A 105 105 THR H H 190 8.092 7.979 0.113 1 1 624 . 12 1 1 A 105 105 THR HA H 190 4.250 3.877 0.373 1 1 629 . 12 1 1 A 105 105 THR CA C 190 64.314 65.713 -1.399 1 1 630 . 12 1 1 A 105 105 THR CB C 190 69.159 68.127 1.032 1 1 632 . 12 1 1 A 105 105 THR N N 190 115.022 115.964 -0.942 1 1 633 . 12 1 1 A 106 106 THR H H 191 8.017 7.899 0.118 1 1 634 . 12 1 1 A 106 106 THR HA H 191 4.214 4.020 0.194 1 1 639 . 12 1 1 A 106 106 THR CA C 191 63.874 65.643 -1.769 1 1 640 . 12 1 1 A 106 106 THR CB C 191 69.009 68.529 0.480 1 1 642 . 12 1 1 A 106 106 THR N N 191 114.622 116.574 -1.952 1 1 643 . 12 1 1 A 107 107 THR H H 192 8.194 7.881 0.313 1 1 644 . 12 1 1 A 107 107 THR CA C 192 64.201 65.637 -1.436 1 1 645 . 12 1 1 A 107 107 THR CB C 192 69.159 68.091 1.068 1 1 647 . 12 1 1 A 107 107 THR N N 192 116.611 113.743 2.868 1 1 648 . 12 1 1 A 108 108 THR H H 193 7.932 8.048 -0.116 1 1 649 . 12 1 1 A 108 108 THR CA C 193 63.871 65.136 -1.265 1 1 650 . 12 1 1 A 108 108 THR CB C 193 69.002 68.553 0.449 1 1 652 . 12 1 1 A 108 108 THR N N 193 116.096 113.386 2.710 1 1 653 . 12 1 1 A 109 109 LYS H H 194 7.821 7.720 0.101 1 1 654 . 12 1 1 A 109 109 LYS HA H 194 4.364 4.340 0.024 1 1 663 . 12 1 1 A 109 109 LYS CA C 194 56.285 55.876 0.409 1 1 664 . 12 1 1 A 109 109 LYS CB C 194 32.636 33.098 -0.462 1 1 668 . 12 1 1 A 109 109 LYS N N 194 120.975 119.980 0.995 1 1 669 . 12 1 1 A 110 110 GLY H H 195 8.109 8.163 -0.054 1 1 670 . 12 1 1 A 110 110 GLY HA2 H 195 3.858 3.919 -0.061 1 1 671 . 12 1 1 A 110 110 GLY HA3 H 195 4.083 3.920 0.163 1 1 672 . 12 1 1 A 110 110 GLY CA C 195 45.511 46.376 -0.865 1 1 673 . 12 1 1 A 110 110 GLY N N 195 108.675 109.458 -0.783 1 1 674 . 12 1 1 A 111 111 GLU H H 196 7.706 8.023 -0.317 1 1 675 . 12 1 1 A 111 111 GLU HA H 196 4.258 4.909 -0.651 1 1 680 . 12 1 1 A 111 111 GLU CA C 196 55.837 54.557 1.280 1 1 681 . 12 1 1 A 111 111 GLU CB C 196 30.673 33.174 -2.501 1 1 683 . 12 1 1 A 111 111 GLU N N 196 120.028 119.491 0.537 1 1 684 . 12 1 1 A 112 112 ASN H H 197 8.460 8.569 -0.109 1 1 685 . 12 1 1 A 112 112 ASN HA H 197 4.668 5.317 -0.649 1 1 690 . 12 1 1 A 112 112 ASN CA C 197 52.923 51.621 1.302 1 1 691 . 12 1 1 A 112 112 ASN CB C 197 40.491 42.148 -1.657 1 1 692 . 12 1 1 A 112 112 ASN N N 197 119.716 117.838 1.878 1 1 694 . 12 1 1 A 113 113 PHE H H 198 8.655 8.203 0.452 1 1 695 . 12 1 1 A 113 113 PHE HA H 198 5.262 5.796 -0.534 1 1 698 . 12 1 1 A 113 113 PHE CA C 198 56.640 55.361 1.279 1 1 699 . 12 1 1 A 113 113 PHE CB C 198 39.899 42.237 -2.338 1 1 700 . 12 1 1 A 113 113 PHE N N 198 122.046 117.750 4.296 1 1 701 . 12 1 1 A 114 114 THR H H 199 9.506 8.984 0.522 1 1 702 . 12 1 1 A 114 114 THR HA H 199 4.625 4.770 -0.145 1 1 707 . 12 1 1 A 114 114 THR CA C 199 60.305 60.183 0.122 1 1 708 . 12 1 1 A 114 114 THR CB C 199 72.033 71.600 0.433 1 1 710 . 12 1 1 A 114 114 THR N N 199 116.124 114.281 1.843 1 1 711 . 12 1 1 A 115 115 GLU H H 200 9.120 9.062 0.058 1 1 712 . 12 1 1 A 115 115 GLU HA H 200 4.051 4.169 -0.118 1 1 717 . 12 1 1 A 115 115 GLU CA C 200 59.877 59.114 0.763 1 1 718 . 12 1 1 A 115 115 GLU CB C 200 28.787 29.160 -0.373 1 1 720 . 12 1 1 A 115 115 GLU N N 200 119.993 120.837 -0.844 1 1 721 . 12 1 1 A 116 116 THR H H 201 7.955 7.678 0.277 1 1 722 . 12 1 1 A 116 116 THR HA H 201 3.794 4.079 -0.285 1 1 727 . 12 1 1 A 116 116 THR CA C 201 66.734 66.621 0.113 1 1 728 . 12 1 1 A 116 116 THR CB C 201 68.624 69.126 -0.502 1 1 730 . 12 1 1 A 116 116 THR N N 201 116.160 116.871 -0.711 1 1 731 . 12 1 1 A 117 117 ASP H H 202 7.505 7.939 -0.434 1 1 732 . 12 1 1 A 117 117 ASP HA H 202 4.577 4.492 0.085 1 1 735 . 12 1 1 A 117 117 ASP CA C 202 58.057 57.257 0.800 1 1 736 . 12 1 1 A 117 117 ASP CB C 202 41.747 41.123 0.624 1 1 737 . 12 1 1 A 117 117 ASP N N 202 120.175 121.741 -1.566 1 1 738 . 12 1 1 A 118 118 VAL H H 203 8.236 8.656 -0.420 1 1 739 . 12 1 1 A 118 118 VAL HA H 203 3.324 3.861 -0.537 1 1 747 . 12 1 1 A 118 118 VAL CA C 203 67.799 65.054 2.745 1 1 748 . 12 1 1 A 118 118 VAL CB C 203 31.269 30.703 0.566 1 1 751 . 12 1 1 A 118 118 VAL N N 203 119.654 118.826 0.828 1 1 752 . 12 1 1 A 119 119 LYS H H 204 7.740 7.724 0.016 1 1 753 . 12 1 1 A 119 119 LYS HA H 204 4.090 3.983 0.107 1 1 762 . 12 1 1 A 119 119 LYS CA C 204 59.368 59.643 -0.275 1 1 763 . 12 1 1 A 119 119 LYS CB C 204 32.165 32.217 -0.052 1 1 767 . 12 1 1 A 119 119 LYS N N 204 119.288 121.234 -1.946 1 1 768 . 12 1 1 A 120 120 MET H H 205 8.235 8.029 0.206 1 1 769 . 12 1 1 A 120 120 MET HA H 205 4.158 4.254 -0.096 1 1 777 . 12 1 1 A 120 120 MET CA C 205 59.819 58.388 1.431 1 1 778 . 12 1 1 A 120 120 MET CB C 205 33.078 32.432 0.646 1 1 781 . 12 1 1 A 120 120 MET N N 205 118.767 119.262 -0.495 1 1 782 . 12 1 1 A 121 121 MET H H 206 8.755 8.292 0.463 1 1 783 . 12 1 1 A 121 121 MET HA H 206 3.580 4.247 -0.667 1 1 791 . 12 1 1 A 121 121 MET CA C 206 59.639 58.311 1.328 1 1 792 . 12 1 1 A 121 121 MET CB C 206 32.777 32.434 0.343 1 1 795 . 12 1 1 A 121 121 MET N N 206 118.428 118.523 -0.095 1 1 796 . 12 1 1 A 122 122 GLU H H 207 8.419 7.980 0.439 1 1 797 . 12 1 1 A 122 122 GLU HA H 207 3.688 3.976 -0.288 1 1 802 . 12 1 1 A 122 122 GLU CA C 207 60.390 59.459 0.931 1 1 803 . 12 1 1 A 122 122 GLU CB C 207 28.448 29.156 -0.708 1 1 805 . 12 1 1 A 122 122 GLU N N 207 118.469 118.473 -0.004 1 1 806 . 12 1 1 A 123 123 ARG H H 208 7.344 7.853 -0.509 1 1 807 . 12 1 1 A 123 123 ARG HA H 208 4.163 4.074 0.089 1 1 815 . 12 1 1 A 123 123 ARG CA C 208 58.537 59.358 -0.821 1 1 816 . 12 1 1 A 123 123 ARG CB C 208 29.925 30.652 -0.727 1 1 819 . 12 1 1 A 123 123 ARG N N 208 116.990 121.324 -4.334 1 1 821 . 12 1 1 A 124 124 VAL H H 209 8.299 7.580 0.719 1 1 822 . 12 1 1 A 124 124 VAL HA H 209 3.798 3.725 0.073 1 1 830 . 12 1 1 A 124 124 VAL CA C 209 65.995 65.880 0.115 1 1 831 . 12 1 1 A 124 124 VAL CB C 209 32.075 31.857 0.218 1 1 834 . 12 1 1 A 124 124 VAL N N 209 119.301 119.239 0.062 1 1 835 . 12 1 1 A 125 125 VAL H H 210 9.016 8.231 0.785 1 1 836 . 12 1 1 A 125 125 VAL HA H 210 3.643 3.602 0.041 1 1 844 . 12 1 1 A 125 125 VAL CA C 210 66.591 66.666 -0.075 1 1 845 . 12 1 1 A 125 125 VAL CB C 210 31.836 31.547 0.289 1 1 848 . 12 1 1 A 125 125 VAL N N 210 121.312 121.212 0.100 1 1 849 . 12 1 1 A 126 126 GLU H H 211 8.153 7.889 0.264 1 1 850 . 12 1 1 A 126 126 GLU HA H 211 3.622 4.018 -0.396 1 1 855 . 12 1 1 A 126 126 GLU CA C 211 60.997 59.664 1.333 1 1 856 . 12 1 1 A 126 126 GLU CB C 211 28.921 28.863 0.058 1 1 858 . 12 1 1 A 126 126 GLU N N 211 120.456 120.160 0.296 1 1 859 . 12 1 1 A 127 127 GLN H H 212 7.274 7.956 -0.682 1 1 862 . 12 1 1 A 127 127 GLN CA C 212 58.803 59.231 -0.428 1 1 863 . 12 1 1 A 127 127 GLN N N 212 115.025 118.159 -3.134 1 1 865 . 12 1 1 A 128 128 MET H H 213 8.324 7.973 0.351 1 1 866 . 12 1 1 A 128 128 MET HA H 213 4.146 4.148 -0.002 1 1 872 . 12 1 1 A 128 128 MET CA C 213 59.976 58.158 1.818 1 1 873 . 12 1 1 A 128 128 MET CB C 213 31.911 31.867 0.044 1 1 875 . 12 1 1 A 128 128 MET N N 213 119.344 118.894 0.450 1 1 876 . 12 1 1 A 129 129 CYS H H 214 9.219 7.829 1.390 1 1 877 . 12 1 1 A 129 129 CYS CA C 214 59.821 62.064 -2.243 1 1 878 . 12 1 1 A 129 129 CYS N N 214 118.992 119.185 -0.193 1 1 879 . 12 1 1 A 130 130 ILE H H 215 8.340 7.668 0.672 1 1 880 . 12 1 1 A 130 130 ILE HA H 215 3.563 3.868 -0.305 1 1 890 . 12 1 1 A 130 130 ILE CA C 215 66.751 64.192 2.559 1 1 891 . 12 1 1 A 130 130 ILE CB C 215 37.814 36.677 1.137 1 1 895 . 12 1 1 A 130 130 ILE N N 215 123.750 121.367 2.383 1 1 896 . 12 1 1 A 131 131 THR H H 216 8.142 8.215 -0.073 1 1 897 . 12 1 1 A 131 131 THR HA H 216 3.940 3.829 0.111 1 1 902 . 12 1 1 A 131 131 THR CA C 216 66.898 66.742 0.156 1 1 903 . 12 1 1 A 131 131 THR CB C 216 69.608 68.601 1.007 1 1 905 . 12 1 1 A 131 131 THR N N 216 118.528 117.563 0.965 1 1 906 . 12 1 1 A 132 132 GLN H H 217 8.687 7.595 1.092 1 1 907 . 12 1 1 A 132 132 GLN HA H 217 3.688 3.915 -0.227 1 1 914 . 12 1 1 A 132 132 GLN CA C 217 58.527 58.606 -0.079 1 1 915 . 12 1 1 A 132 132 GLN CB C 217 28.353 27.867 0.486 1 1 917 . 12 1 1 A 132 132 GLN N N 217 121.765 120.386 1.379 1 1 919 . 12 1 1 A 133 133 TYR HA H 218 4.532 4.606 -0.074 1 1 926 . 12 1 1 A 133 133 TYR CA C 218 55.867 58.096 -2.229 1 1 927 . 12 1 1 A 133 133 TYR CB C 218 37.912 38.292 -0.380 1 1 930 . 12 1 1 A 134 134 GLU H H 219 8.293 8.784 -0.491 1 1 931 . 12 1 1 A 134 134 GLU HA H 219 3.689 4.107 -0.418 1 1 936 . 12 1 1 A 134 134 GLU CA C 219 59.268 59.157 0.111 1 1 937 . 12 1 1 A 134 134 GLU CB C 219 28.324 28.934 -0.610 1 1 939 . 12 1 1 A 134 134 GLU N N 219 120.400 124.402 -4.002 1 1 940 . 12 1 1 A 135 135 ARG H H 220 7.887 8.022 -0.135 1 1 941 . 12 1 1 A 135 135 ARG HA H 220 3.981 4.059 -0.078 1 1 949 . 12 1 1 A 135 135 ARG CA C 220 59.266 59.987 -0.721 1 1 950 . 12 1 1 A 135 135 ARG CB C 220 30.337 30.140 0.197 1 1 953 . 12 1 1 A 135 135 ARG N N 220 118.589 119.449 -0.860 1 1 955 . 12 1 1 A 137 137 SER HA H 222 3.954 4.022 -0.068 1 1 958 . 12 1 1 A 137 137 SER CA C 222 60.572 61.063 -0.491 1 1 959 . 12 1 1 A 137 137 SER CB C 222 62.761 62.973 -0.212 1 1 960 . 12 1 1 A 138 138 GLN H H 223 7.624 8.000 -0.376 1 1 961 . 12 1 1 A 138 138 GLN HA H 223 4.153 4.066 0.087 1 1 968 . 12 1 1 A 138 138 GLN CA C 223 57.658 58.615 -0.957 1 1 969 . 12 1 1 A 138 138 GLN CB C 223 28.370 28.285 0.085 1 1 971 . 12 1 1 A 138 138 GLN N N 223 120.575 120.641 -0.066 1 1 973 . 12 1 1 A 139 139 ALA H H 224 7.627 7.727 -0.100 1 1 974 . 12 1 1 A 139 139 ALA HA H 224 4.156 4.202 -0.046 1 1 978 . 12 1 1 A 139 139 ALA CA C 224 54.017 55.091 -1.074 1 1 979 . 12 1 1 A 139 139 ALA CB C 224 18.645 18.468 0.177 1 1 980 . 12 1 1 A 139 139 ALA N N 224 121.263 121.435 -0.172 1 1 981 . 12 1 1 A 140 140 TYR H H 225 8.048 8.173 -0.125 1 1 982 . 12 1 1 A 140 140 TYR HA H 225 4.204 4.357 -0.153 1 1 989 . 12 1 1 A 140 140 TYR CA C 225 59.890 60.535 -0.645 1 1 990 . 12 1 1 A 140 140 TYR CB C 225 38.994 37.663 1.331 1 1 993 . 12 1 1 A 140 140 TYR N N 225 118.980 117.361 1.619 1 1 994 . 12 1 1 A 141 141 TYR H H 226 7.948 7.736 0.212 1 1 995 . 12 1 1 A 141 141 TYR HA H 226 4.375 4.236 0.139 1 1 1002 . 12 1 1 A 141 141 TYR CA C 226 59.036 61.650 -2.614 1 1 1003 . 12 1 1 A 141 141 TYR CB C 226 38.060 38.929 -0.869 1 1 1006 . 12 1 1 A 141 141 TYR N N 226 118.596 120.501 -1.905 1 1 1007 . 12 1 1 A 142 142 GLN H H 227 7.941 7.889 0.052 1 1 1008 . 12 1 1 A 142 142 GLN HA H 227 4.240 4.493 -0.253 1 1 1015 . 12 1 1 A 142 142 GLN CA C 227 56.346 55.632 0.714 1 1 1016 . 12 1 1 A 142 142 GLN CB C 227 28.912 28.608 0.304 1 1 1018 . 12 1 1 A 142 142 GLN N N 227 119.883 117.247 2.636 1 1 1020 . 12 1 1 A 143 143 ARG H H 228 7.966 8.548 -0.582 1 1 1021 . 12 1 1 A 143 143 ARG HA H 228 4.244 4.934 -0.690 1 1 1029 . 12 1 1 A 143 143 ARG CA C 228 56.719 54.726 1.993 1 1 1030 . 12 1 1 A 143 143 ARG CB C 228 30.731 33.564 -2.833 1 1 1033 . 12 1 1 A 143 143 ARG N N 228 120.871 121.138 -0.267 1 1 1035 . 12 1 1 A 144 144 GLY H H 229 8.247 8.342 -0.095 1 1 1036 . 12 1 1 A 144 144 GLY HA2 H 229 3.992 4.134 -0.142 1 1 1037 . 12 1 1 A 144 144 GLY HA3 H 229 3.992 4.138 -0.146 1 1 1038 . 12 1 1 A 144 144 GLY CA C 229 45.359 45.559 -0.200 1 1 1039 . 12 1 1 A 144 144 GLY N N 229 109.072 106.844 2.228 1 1 1040 . 12 1 1 A 145 145 SER H H 230 8.139 8.710 -0.571 1 1 1041 . 12 1 1 A 145 145 SER HA H 230 4.506 5.064 -0.558 1 1 1044 . 12 1 1 A 145 145 SER CA C 230 58.123 57.684 0.439 1 1 1045 . 12 1 1 A 145 145 SER CB C 230 63.878 65.430 -1.552 1 1 1046 . 12 1 1 A 145 145 SER N N 230 115.684 118.146 -2.462 1 1 16 . 13 1 1 A 41 41 GLY H H 126 8.484 7.484 1.000 1 1 17 . 13 1 1 A 41 41 GLY HA2 H 126 3.861 4.055 -0.194 1 1 18 . 13 1 1 A 41 41 GLY HA3 H 126 3.920 4.062 -0.142 1 1 19 . 13 1 1 A 41 41 GLY CA C 126 46.260 45.902 0.358 1 1 20 . 13 1 1 A 41 41 GLY N N 126 109.470 105.010 4.460 1 1 21 . 13 1 1 A 42 42 GLY H H 127 8.326 8.142 0.184 1 1 22 . 13 1 1 A 42 42 GLY HA2 H 127 3.749 3.669 0.080 1 1 23 . 13 1 1 A 42 42 GLY HA3 H 127 3.900 3.734 0.166 1 1 24 . 13 1 1 A 42 42 GLY CA C 127 45.226 45.448 -0.222 1 1 25 . 13 1 1 A 42 42 GLY N N 127 109.020 109.145 -0.125 1 1 26 . 13 1 1 A 43 43 TYR H H 128 7.692 7.743 -0.051 1 1 27 . 13 1 1 A 43 43 TYR HA H 128 4.675 4.373 0.302 1 1 34 . 13 1 1 A 43 43 TYR CA C 128 57.271 59.237 -1.966 1 1 35 . 13 1 1 A 43 43 TYR CB C 128 40.257 38.582 1.675 1 1 38 . 13 1 1 A 43 43 TYR N N 128 117.301 120.028 -2.727 1 1 39 . 13 1 1 A 44 44 VAL H H 129 8.974 9.000 -0.026 1 1 40 . 13 1 1 A 44 44 VAL HA H 129 4.344 4.587 -0.243 1 1 48 . 13 1 1 A 44 44 VAL CA C 129 59.555 60.553 -0.998 1 1 49 . 13 1 1 A 44 44 VAL CB C 129 34.728 33.695 1.033 1 1 52 . 13 1 1 A 44 44 VAL N N 129 118.589 125.281 -6.692 1 1 53 . 13 1 1 A 45 45 LEU H H 130 8.029 8.704 -0.675 1 1 62 . 13 1 1 A 45 45 LEU N N 130 123.350 127.882 -4.532 1 1 63 . 13 1 1 A 46 46 GLY H H 131 9.278 8.315 0.963 1 1 64 . 13 1 1 A 46 46 GLY CA C 131 44.842 45.966 -1.124 1 1 65 . 13 1 1 A 46 46 GLY N N 131 114.623 112.647 1.976 1 1 66 . 13 1 1 A 47 47 SER H H 132 8.315 7.729 0.586 1 1 67 . 13 1 1 A 47 47 SER HA H 132 4.438 4.649 -0.211 1 1 70 . 13 1 1 A 47 47 SER CA C 132 58.520 58.740 -0.220 1 1 71 . 13 1 1 A 47 47 SER CB C 132 64.166 65.492 -1.326 1 1 72 . 13 1 1 A 47 47 SER N N 132 113.038 111.775 1.263 1 1 73 . 13 1 1 A 48 48 ALA H H 133 8.736 7.948 0.788 1 1 74 . 13 1 1 A 48 48 ALA HA H 133 4.425 4.216 0.209 1 1 78 . 13 1 1 A 48 48 ALA CA C 133 53.090 54.413 -1.323 1 1 79 . 13 1 1 A 48 48 ALA CB C 133 18.465 18.084 0.381 1 1 80 . 13 1 1 A 48 48 ALA N N 133 125.270 123.304 1.966 1 1 81 . 13 1 1 A 49 49 MET H H 134 8.758 8.840 -0.082 1 1 82 . 13 1 1 A 49 49 MET HA H 134 4.754 5.300 -0.546 1 1 90 . 13 1 1 A 49 49 MET CA C 134 53.972 53.936 0.036 1 1 91 . 13 1 1 A 49 49 MET CB C 134 37.222 37.526 -0.304 1 1 94 . 13 1 1 A 49 49 MET N N 134 120.911 119.460 1.451 1 1 95 . 13 1 1 A 50 50 SER H H 135 8.430 8.907 -0.477 1 1 96 . 13 1 1 A 50 50 SER HA H 135 4.356 4.706 -0.350 1 1 99 . 13 1 1 A 50 50 SER CA C 135 58.630 56.726 1.904 1 1 100 . 13 1 1 A 50 50 SER CB C 135 63.575 64.698 -1.123 1 1 101 . 13 1 1 A 50 50 SER N N 135 116.162 117.101 -0.939 1 1 102 . 13 1 1 A 51 51 ARG H H 136 8.646 9.007 -0.361 1 1 103 . 13 1 1 A 51 51 ARG HA H 136 4.434 4.012 0.422 1 1 111 . 13 1 1 A 51 51 ARG CA C 136 54.863 56.865 -2.002 1 1 112 . 13 1 1 A 51 51 ARG CB C 136 30.519 28.690 1.829 1 1 115 . 13 1 1 A 51 51 ARG N N 136 126.460 127.161 -0.701 1 1 117 . 13 1 1 A 52 52 PRO HA H 137 4.413 4.566 -0.153 1 1 124 . 13 1 1 A 52 52 PRO CA C 137 62.198 64.767 -2.569 1 1 125 . 13 1 1 A 52 52 PRO CB C 137 32.165 31.975 0.190 1 1 128 . 13 1 1 A 53 53 ILE H H 138 8.647 7.528 1.119 1 1 129 . 13 1 1 A 53 53 ILE HA H 138 4.160 4.046 0.114 1 1 139 . 13 1 1 A 53 53 ILE CA C 138 60.851 61.438 -0.587 1 1 140 . 13 1 1 A 53 53 ILE CB C 138 36.101 37.709 -1.608 1 1 144 . 13 1 1 A 53 53 ILE N N 138 122.534 117.752 4.782 1 1 145 . 13 1 1 A 54 54 ILE H H 139 6.485 8.750 -2.265 1 1 146 . 13 1 1 A 54 54 ILE HA H 139 3.926 4.489 -0.563 1 1 156 . 13 1 1 A 54 54 ILE CA C 139 58.665 59.986 -1.321 1 1 157 . 13 1 1 A 54 54 ILE CB C 139 39.251 39.938 -0.687 1 1 161 . 13 1 1 A 54 54 ILE N N 139 126.733 129.009 -2.276 1 1 162 . 13 1 1 A 55 55 HIS H H 140 8.249 8.349 -0.100 1 1 163 . 13 1 1 A 55 55 HIS HA H 140 4.935 4.099 0.836 1 1 167 . 13 1 1 A 55 55 HIS CA C 140 54.209 56.480 -2.271 1 1 168 . 13 1 1 A 55 55 HIS CB C 140 29.326 30.514 -1.188 1 1 170 . 13 1 1 A 55 55 HIS N N 140 122.048 125.360 -3.312 1 1 171 . 13 1 1 A 56 56 PHE H H 141 10.205 8.281 1.924 1 1 172 . 13 1 1 A 56 56 PHE HA H 141 4.360 3.970 0.390 1 1 175 . 13 1 1 A 56 56 PHE CA C 141 59.367 60.975 -1.608 1 1 176 . 13 1 1 A 56 56 PHE CB C 141 41.594 39.524 2.070 1 1 177 . 13 1 1 A 56 56 PHE N N 141 124.145 124.550 -0.405 1 1 178 . 13 1 1 A 57 57 GLY H H 142 9.008 8.525 0.483 1 1 179 . 13 1 1 A 57 57 GLY HA2 H 142 3.835 3.975 -0.140 1 1 180 . 13 1 1 A 57 57 GLY HA3 H 142 4.168 4.012 0.156 1 1 181 . 13 1 1 A 57 57 GLY CA C 142 45.777 45.544 0.233 1 1 182 . 13 1 1 A 57 57 GLY N N 142 108.268 108.292 -0.024 1 1 183 . 13 1 1 A 58 58 SER H H 143 7.327 7.900 -0.573 1 1 184 . 13 1 1 A 58 58 SER HA H 143 4.820 4.797 0.023 1 1 187 . 13 1 1 A 58 58 SER CA C 143 56.405 56.933 -0.528 1 1 188 . 13 1 1 A 58 58 SER CB C 143 66.034 65.107 0.927 1 1 189 . 13 1 1 A 58 58 SER N N 143 111.827 115.356 -3.529 1 1 190 . 13 1 1 A 59 59 ASP H H 144 9.051 9.027 0.024 1 1 191 . 13 1 1 A 59 59 ASP HA H 144 4.502 4.184 0.318 1 1 194 . 13 1 1 A 59 59 ASP CA C 144 57.676 57.081 0.595 1 1 195 . 13 1 1 A 59 59 ASP CB C 144 40.505 40.279 0.226 1 1 196 . 13 1 1 A 59 59 ASP N N 144 124.541 126.665 -2.124 1 1 197 . 13 1 1 A 60 60 TYR H H 145 8.571 7.452 1.119 1 1 198 . 13 1 1 A 60 60 TYR HA H 145 4.197 4.260 -0.063 1 1 205 . 13 1 1 A 60 60 TYR CA C 145 61.232 61.316 -0.084 1 1 206 . 13 1 1 A 60 60 TYR CB C 145 37.912 37.754 0.158 1 1 209 . 13 1 1 A 60 60 TYR N N 145 118.914 118.790 0.124 1 1 210 . 13 1 1 A 61 61 GLU H H 146 7.737 8.577 -0.840 1 1 211 . 13 1 1 A 61 61 GLU HA H 146 3.590 4.159 -0.569 1 1 216 . 13 1 1 A 61 61 GLU CA C 146 59.607 59.690 -0.083 1 1 217 . 13 1 1 A 61 61 GLU CB C 146 30.059 29.275 0.784 1 1 219 . 13 1 1 A 61 61 GLU N N 146 118.985 119.257 -0.272 1 1 220 . 13 1 1 A 62 62 ASP H H 147 8.213 8.590 -0.377 1 1 221 . 13 1 1 A 62 62 ASP HA H 147 4.666 4.260 0.406 1 1 224 . 13 1 1 A 62 62 ASP CA C 147 58.292 57.452 0.840 1 1 225 . 13 1 1 A 62 62 ASP CB C 147 40.171 42.045 -1.874 1 1 226 . 13 1 1 A 62 62 ASP N N 147 119.785 119.757 0.028 1 1 227 . 13 1 1 A 63 63 ARG H H 148 8.229 7.953 0.276 1 1 228 . 13 1 1 A 63 63 ARG HA H 148 4.016 3.957 0.059 1 1 236 . 13 1 1 A 63 63 ARG CA C 148 59.611 59.749 -0.138 1 1 237 . 13 1 1 A 63 63 ARG CB C 148 30.059 29.905 0.154 1 1 240 . 13 1 1 A 63 63 ARG N N 148 120.339 118.834 1.505 1 1 242 . 13 1 1 A 64 64 TYR H H 149 8.340 8.154 0.186 1 1 243 . 13 1 1 A 64 64 TYR HA H 149 3.829 4.266 -0.437 1 1 250 . 13 1 1 A 64 64 TYR CA C 149 61.991 61.595 0.396 1 1 251 . 13 1 1 A 64 64 TYR CB C 149 38.417 38.601 -0.184 1 1 254 . 13 1 1 A 64 64 TYR N N 149 121.093 121.218 -0.125 1 1 255 . 13 1 1 A 65 65 TYR H H 150 8.979 8.292 0.687 1 1 256 . 13 1 1 A 65 65 TYR HA H 150 4.132 4.456 -0.324 1 1 263 . 13 1 1 A 65 65 TYR CA C 150 62.691 60.964 1.727 1 1 264 . 13 1 1 A 65 65 TYR CB C 150 38.025 38.967 -0.942 1 1 267 . 13 1 1 A 65 65 TYR N N 150 120.575 120.776 -0.201 1 1 268 . 13 1 1 A 66 66 ARG H H 151 7.997 8.182 -0.185 1 1 269 . 13 1 1 A 66 66 ARG HA H 151 3.925 3.835 0.090 1 1 277 . 13 1 1 A 66 66 ARG CA C 151 60.050 58.911 1.139 1 1 278 . 13 1 1 A 66 66 ARG CB C 151 29.901 29.338 0.563 1 1 281 . 13 1 1 A 66 66 ARG N N 151 117.799 119.074 -1.275 1 1 283 . 13 1 1 A 67 67 GLU H H 152 8.076 7.919 0.157 1 1 284 . 13 1 1 A 67 67 GLU HA H 152 4.082 4.188 -0.106 1 1 289 . 13 1 1 A 67 67 GLU CA C 152 58.125 58.257 -0.132 1 1 290 . 13 1 1 A 67 67 GLU CB C 152 29.743 29.763 -0.020 1 1 292 . 13 1 1 A 67 67 GLU N N 152 116.601 117.230 -0.629 1 1 293 . 13 1 1 A 68 68 ASN H H 153 7.621 7.560 0.061 1 1 294 . 13 1 1 A 68 68 ASN HA H 153 4.321 4.541 -0.220 1 1 299 . 13 1 1 A 68 68 ASN CA C 153 54.958 55.627 -0.669 1 1 300 . 13 1 1 A 68 68 ASN CB C 153 41.041 38.125 2.916 1 1 301 . 13 1 1 A 68 68 ASN N N 153 114.623 117.640 -3.017 1 1 303 . 13 1 1 A 69 69 MET H H 154 8.105 8.064 0.041 1 1 304 . 13 1 1 A 69 69 MET HA H 154 3.458 3.823 -0.365 1 1 312 . 13 1 1 A 69 69 MET CA C 154 59.104 57.783 1.321 1 1 313 . 13 1 1 A 69 69 MET CB C 154 30.533 31.853 -1.320 1 1 316 . 13 1 1 A 69 69 MET N N 154 119.633 117.526 2.107 1 1 317 . 13 1 1 A 70 70 HIS H H 155 8.070 7.693 0.377 1 1 319 . 13 1 1 A 70 70 HIS CA C 155 57.650 59.251 -1.601 1 1 320 . 13 1 1 A 70 70 HIS CB C 155 27.591 30.134 -2.543 1 1 322 . 13 1 1 A 70 70 HIS N N 155 115.018 118.116 -3.098 1 1 323 . 13 1 1 A 71 71 ARG H H 156 7.618 7.882 -0.264 1 1 325 . 13 1 1 A 71 71 ARG CA C 156 56.278 55.875 0.403 1 1 326 . 13 1 1 A 71 71 ARG CB C 156 30.770 30.737 0.033 1 1 329 . 13 1 1 A 71 71 ARG N N 156 118.197 116.335 1.862 1 1 331 . 13 1 1 A 72 72 TYR H H 157 7.473 7.876 -0.403 1 1 332 . 13 1 1 A 72 72 TYR HA H 157 5.034 4.760 0.274 1 1 339 . 13 1 1 A 72 72 TYR CA C 157 52.768 56.658 -3.890 1 1 340 . 13 1 1 A 72 72 TYR CB C 157 35.150 38.522 -3.372 1 1 343 . 13 1 1 A 72 72 TYR N N 157 120.873 118.927 1.946 1 1 344 . 13 1 1 A 73 73 PRO HA H 158 4.425 4.682 -0.257 1 1 351 . 13 1 1 A 73 73 PRO CA C 158 63.737 62.445 1.292 1 1 352 . 13 1 1 A 73 73 PRO CB C 158 32.071 31.694 0.377 1 1 355 . 13 1 1 A 74 74 ASN H H 159 8.562 8.620 -0.058 1 1 356 . 13 1 1 A 74 74 ASN HA H 159 4.708 4.691 0.017 1 1 361 . 13 1 1 A 74 74 ASN CA C 159 51.965 52.069 -0.104 1 1 362 . 13 1 1 A 74 74 ASN CB C 159 37.898 38.734 -0.836 1 1 363 . 13 1 1 A 74 74 ASN N N 159 116.213 122.008 -5.795 1 1 365 . 13 1 1 A 75 75 GLN H H 160 7.302 7.478 -0.176 1 1 366 . 13 1 1 A 75 75 GLN HA H 160 4.479 4.642 -0.163 1 1 371 . 13 1 1 A 75 75 GLN CA C 160 54.184 55.550 -1.366 1 1 372 . 13 1 1 A 75 75 GLN CB C 160 34.167 33.053 1.114 1 1 373 . 13 1 1 A 75 75 GLN N N 160 114.122 120.290 -6.168 1 1 375 . 13 1 1 A 76 76 VAL H H 161 8.635 8.809 -0.174 1 1 376 . 13 1 1 A 76 76 VAL HA H 161 4.916 4.786 0.130 1 1 384 . 13 1 1 A 76 76 VAL CA C 161 58.557 61.058 -2.501 1 1 385 . 13 1 1 A 76 76 VAL CB C 161 33.635 33.215 0.420 1 1 388 . 13 1 1 A 76 76 VAL N N 161 112.903 120.654 -7.751 1 1 389 . 13 1 1 A 77 77 TYR H H 162 8.554 8.753 -0.199 1 1 390 . 13 1 1 A 77 77 TYR HA H 162 5.440 4.884 0.556 1 1 397 . 13 1 1 A 77 77 TYR CA C 162 57.057 58.297 -1.240 1 1 398 . 13 1 1 A 77 77 TYR CB C 162 42.147 39.498 2.649 1 1 401 . 13 1 1 A 77 77 TYR N N 162 120.972 126.889 -5.917 1 1 402 . 13 1 1 A 78 78 TYR H H 163 8.686 8.249 0.437 1 1 403 . 13 1 1 A 78 78 TYR HA H 163 4.797 5.156 -0.359 1 1 410 . 13 1 1 A 78 78 TYR CA C 163 55.484 55.381 0.103 1 1 413 . 13 1 1 A 78 78 TYR N N 163 111.059 120.685 -9.626 1 1 429 . 13 1 1 A 86 86 ASN HA H 171 4.733 5.215 -0.482 1 1 434 . 13 1 1 A 86 86 ASN CA C 171 52.388 52.131 0.257 1 1 435 . 13 1 1 A 86 86 ASN CB C 171 39.935 40.974 -1.039 1 1 437 . 13 1 1 A 87 87 GLN H H 172 8.740 8.886 -0.146 1 1 440 . 13 1 1 A 87 87 GLN CA C 172 59.906 58.816 1.090 1 1 441 . 13 1 1 A 87 87 GLN CB C 172 29.065 28.046 1.019 1 1 443 . 13 1 1 A 87 87 GLN N N 172 121.279 121.723 -0.444 1 1 445 . 13 1 1 A 88 88 ASN H H 173 8.427 8.135 0.292 1 1 446 . 13 1 1 A 88 88 ASN HA H 173 4.255 4.450 -0.195 1 1 451 . 13 1 1 A 88 88 ASN CA C 173 56.396 56.242 0.154 1 1 452 . 13 1 1 A 88 88 ASN CB C 173 37.912 38.483 -0.571 1 1 453 . 13 1 1 A 88 88 ASN N N 173 116.210 118.820 -2.610 1 1 455 . 13 1 1 A 89 89 ASN H H 174 8.542 8.369 0.173 1 1 456 . 13 1 1 A 89 89 ASN HA H 174 4.509 4.670 -0.161 1 1 461 . 13 1 1 A 89 89 ASN CA C 174 56.013 56.200 -0.187 1 1 462 . 13 1 1 A 89 89 ASN CB C 174 38.359 38.221 0.138 1 1 463 . 13 1 1 A 89 89 ASN N N 174 118.573 116.729 1.844 1 1 465 . 13 1 1 A 90 90 PHE H H 175 8.113 8.068 0.045 1 1 466 . 13 1 1 A 90 90 PHE CA C 175 61.432 61.154 0.278 1 1 467 . 13 1 1 A 90 90 PHE N N 175 120.437 122.736 -2.299 1 1 468 . 13 1 1 A 91 91 VAL H H 176 9.215 7.751 1.464 1 1 469 . 13 1 1 A 91 91 VAL HA H 176 3.608 3.474 0.134 1 1 477 . 13 1 1 A 91 91 VAL CA C 176 67.888 66.070 1.818 1 1 478 . 13 1 1 A 91 91 VAL CB C 176 32.042 31.293 0.749 1 1 480 . 13 1 1 A 91 91 VAL N N 176 120.071 119.232 0.839 1 1 481 . 13 1 1 A 92 92 HIS H H 177 8.497 7.929 0.568 1 1 482 . 13 1 1 A 92 92 HIS HA H 177 4.353 4.282 0.071 1 1 485 . 13 1 1 A 92 92 HIS CA C 177 59.251 59.704 -0.453 1 1 486 . 13 1 1 A 92 92 HIS CB C 177 28.104 29.659 -1.555 1 1 487 . 13 1 1 A 92 92 HIS N N 177 117.399 117.966 -0.567 1 1 488 . 13 1 1 A 93 93 ASN H H 178 7.860 8.323 -0.463 1 1 489 . 13 1 1 A 93 93 ASN HA H 178 4.521 4.355 0.166 1 1 494 . 13 1 1 A 93 93 ASN CA C 178 56.244 56.224 0.020 1 1 495 . 13 1 1 A 93 93 ASN CB C 178 37.934 37.704 0.230 1 1 496 . 13 1 1 A 93 93 ASN N N 178 116.474 116.849 -0.375 1 1 498 . 13 1 1 A 94 94 CYS H H 179 8.133 7.883 0.250 1 1 499 . 13 1 1 A 94 94 CYS CA C 179 58.595 63.308 -4.713 1 1 500 . 13 1 1 A 94 94 CYS CB C 179 40.911 26.864 14.047 1 1 501 . 13 1 1 A 94 94 CYS N N 179 120.418 118.492 1.926 1 1 502 . 13 1 1 A 95 95 VAL H H 180 9.280 7.436 1.844 1 1 503 . 13 1 1 A 95 95 VAL HA H 180 3.654 3.475 0.179 1 1 511 . 13 1 1 A 95 95 VAL CA C 180 66.400 66.921 -0.521 1 1 512 . 13 1 1 A 95 95 VAL CB C 180 31.912 31.471 0.441 1 1 515 . 13 1 1 A 95 95 VAL N N 180 125.212 121.116 4.096 1 1 516 . 13 1 1 A 96 96 ASN H H 181 7.696 8.117 -0.421 1 1 517 . 13 1 1 A 96 96 ASN HA H 181 4.321 4.521 -0.200 1 1 522 . 13 1 1 A 96 96 ASN CA C 181 56.419 56.531 -0.112 1 1 523 . 13 1 1 A 96 96 ASN CB C 181 38.654 38.276 0.378 1 1 524 . 13 1 1 A 96 96 ASN N N 181 115.816 119.481 -3.665 1 1 526 . 13 1 1 A 97 97 ILE H H 182 8.385 7.483 0.902 1 1 527 . 13 1 1 A 97 97 ILE HA H 182 3.726 3.573 0.153 1 1 537 . 13 1 1 A 97 97 ILE CA C 182 62.446 65.233 -2.787 1 1 538 . 13 1 1 A 97 97 ILE CB C 182 36.464 37.876 -1.412 1 1 542 . 13 1 1 A 97 97 ILE N N 182 118.191 120.267 -2.076 1 1 543 . 13 1 1 A 98 98 THR H H 183 8.157 8.049 0.108 1 1 544 . 13 1 1 A 98 98 THR HA H 183 4.078 3.806 0.272 1 1 549 . 13 1 1 A 98 98 THR CA C 183 68.807 66.791 2.016 1 1 550 . 13 1 1 A 98 98 THR CB C 183 68.239 68.859 -0.620 1 1 552 . 13 1 1 A 98 98 THR N N 183 117.797 115.875 1.922 1 1 553 . 13 1 1 A 99 99 ILE H H 184 8.528 7.738 0.790 1 1 554 . 13 1 1 A 99 99 ILE HA H 184 3.727 3.823 -0.096 1 1 564 . 13 1 1 A 99 99 ILE CA C 184 65.621 65.504 0.117 1 1 565 . 13 1 1 A 99 99 ILE CB C 184 36.531 37.629 -1.098 1 1 569 . 13 1 1 A 99 99 ILE N N 184 120.576 121.350 -0.774 1 1 570 . 13 1 1 A 100 100 LYS H H 185 7.953 8.230 -0.277 1 1 571 . 13 1 1 A 100 100 LYS HA H 185 4.068 3.974 0.094 1 1 580 . 13 1 1 A 100 100 LYS CA C 185 59.636 59.861 -0.225 1 1 581 . 13 1 1 A 100 100 LYS CB C 185 31.989 32.612 -0.623 1 1 585 . 13 1 1 A 100 100 LYS N N 185 122.562 121.092 1.470 1 1 586 . 13 1 1 A 101 101 GLN H H 186 8.376 7.797 0.579 1 1 589 . 13 1 1 A 101 101 GLN CA C 186 57.741 58.735 -0.994 1 1 590 . 13 1 1 A 101 101 GLN N N 186 116.213 118.704 -2.491 1 1 592 . 13 1 1 A 102 102 HIS H H 187 8.199 8.212 -0.013 1 1 593 . 13 1 1 A 102 102 HIS HA H 187 4.593 4.223 0.370 1 1 596 . 13 1 1 A 102 102 HIS CA C 187 59.062 59.320 -0.258 1 1 597 . 13 1 1 A 102 102 HIS CB C 187 30.384 29.871 0.513 1 1 598 . 13 1 1 A 102 102 HIS N N 187 118.199 121.445 -3.246 1 1 599 . 13 1 1 A 103 103 THR H H 188 8.245 8.133 0.112 1 1 600 . 13 1 1 A 103 103 THR HA H 188 4.184 3.926 0.258 1 1 605 . 13 1 1 A 103 103 THR CA C 188 65.017 64.940 0.077 1 1 606 . 13 1 1 A 103 103 THR CB C 188 69.167 68.794 0.373 1 1 608 . 13 1 1 A 103 103 THR N N 188 113.748 114.061 -0.313 1 1 609 . 13 1 1 A 104 104 VAL H H 189 8.013 8.149 -0.136 1 1 610 . 13 1 1 A 104 104 VAL HA H 189 4.004 3.538 0.466 1 1 618 . 13 1 1 A 104 104 VAL CA C 189 65.151 66.817 -1.666 1 1 619 . 13 1 1 A 104 104 VAL CB C 189 31.743 31.781 -0.038 1 1 622 . 13 1 1 A 104 104 VAL N N 189 122.142 120.825 1.317 1 1 623 . 13 1 1 A 105 105 THR H H 190 8.092 7.883 0.209 1 1 624 . 13 1 1 A 105 105 THR HA H 190 4.250 3.878 0.372 1 1 629 . 13 1 1 A 105 105 THR CA C 190 64.314 65.535 -1.221 1 1 630 . 13 1 1 A 105 105 THR CB C 190 69.159 68.217 0.942 1 1 632 . 13 1 1 A 105 105 THR N N 190 115.022 115.759 -0.737 1 1 633 . 13 1 1 A 106 106 THR H H 191 8.017 7.586 0.431 1 1 634 . 13 1 1 A 106 106 THR HA H 191 4.214 4.206 0.008 1 1 639 . 13 1 1 A 106 106 THR CA C 191 63.874 65.845 -1.971 1 1 640 . 13 1 1 A 106 106 THR CB C 191 69.009 68.610 0.399 1 1 642 . 13 1 1 A 106 106 THR N N 191 114.622 116.483 -1.861 1 1 643 . 13 1 1 A 107 107 THR H H 192 8.194 8.243 -0.049 1 1 644 . 13 1 1 A 107 107 THR CA C 192 64.201 65.983 -1.782 1 1 645 . 13 1 1 A 107 107 THR CB C 192 69.159 68.507 0.652 1 1 647 . 13 1 1 A 107 107 THR N N 192 116.611 117.532 -0.921 1 1 648 . 13 1 1 A 108 108 THR H H 193 7.932 8.113 -0.181 1 1 649 . 13 1 1 A 108 108 THR CA C 193 63.871 66.578 -2.707 1 1 650 . 13 1 1 A 108 108 THR CB C 193 69.002 68.507 0.495 1 1 652 . 13 1 1 A 108 108 THR N N 193 116.096 117.334 -1.238 1 1 653 . 13 1 1 A 109 109 LYS H H 194 7.821 7.853 -0.032 1 1 654 . 13 1 1 A 109 109 LYS HA H 194 4.364 4.456 -0.092 1 1 663 . 13 1 1 A 109 109 LYS CA C 194 56.285 56.352 -0.067 1 1 664 . 13 1 1 A 109 109 LYS CB C 194 32.636 33.471 -0.835 1 1 668 . 13 1 1 A 109 109 LYS N N 194 120.975 119.701 1.274 1 1 669 . 13 1 1 A 110 110 GLY H H 195 8.109 7.775 0.334 1 1 670 . 13 1 1 A 110 110 GLY HA2 H 195 3.858 3.946 -0.088 1 1 671 . 13 1 1 A 110 110 GLY HA3 H 195 4.083 3.959 0.124 1 1 672 . 13 1 1 A 110 110 GLY CA C 195 45.511 46.138 -0.627 1 1 673 . 13 1 1 A 110 110 GLY N N 195 108.675 108.689 -0.014 1 1 674 . 13 1 1 A 111 111 GLU H H 196 7.706 8.027 -0.321 1 1 675 . 13 1 1 A 111 111 GLU HA H 196 4.258 4.690 -0.432 1 1 680 . 13 1 1 A 111 111 GLU CA C 196 55.837 55.212 0.625 1 1 681 . 13 1 1 A 111 111 GLU CB C 196 30.673 31.832 -1.159 1 1 683 . 13 1 1 A 111 111 GLU N N 196 120.028 119.605 0.423 1 1 684 . 13 1 1 A 112 112 ASN H H 197 8.460 8.569 -0.109 1 1 685 . 13 1 1 A 112 112 ASN HA H 197 4.668 5.479 -0.811 1 1 690 . 13 1 1 A 112 112 ASN CA C 197 52.923 51.806 1.117 1 1 691 . 13 1 1 A 112 112 ASN CB C 197 40.491 41.825 -1.334 1 1 692 . 13 1 1 A 112 112 ASN N N 197 119.716 117.727 1.989 1 1 694 . 13 1 1 A 113 113 PHE H H 198 8.655 9.040 -0.385 1 1 695 . 13 1 1 A 113 113 PHE HA H 198 5.262 5.179 0.083 1 1 698 . 13 1 1 A 113 113 PHE CA C 198 56.640 56.381 0.259 1 1 699 . 13 1 1 A 113 113 PHE CB C 198 39.899 42.230 -2.331 1 1 700 . 13 1 1 A 113 113 PHE N N 198 122.046 117.873 4.173 1 1 701 . 13 1 1 A 114 114 THR H H 199 9.506 8.927 0.579 1 1 702 . 13 1 1 A 114 114 THR HA H 199 4.625 4.769 -0.144 1 1 707 . 13 1 1 A 114 114 THR CA C 199 60.305 60.460 -0.155 1 1 708 . 13 1 1 A 114 114 THR CB C 199 72.033 71.426 0.607 1 1 710 . 13 1 1 A 114 114 THR N N 199 116.124 114.822 1.302 1 1 711 . 13 1 1 A 115 115 GLU H H 200 9.120 9.057 0.063 1 1 712 . 13 1 1 A 115 115 GLU HA H 200 4.051 4.132 -0.081 1 1 717 . 13 1 1 A 115 115 GLU CA C 200 59.877 59.166 0.711 1 1 718 . 13 1 1 A 115 115 GLU CB C 200 28.787 29.153 -0.366 1 1 720 . 13 1 1 A 115 115 GLU N N 200 119.993 120.699 -0.706 1 1 721 . 13 1 1 A 116 116 THR H H 201 7.955 7.721 0.234 1 1 722 . 13 1 1 A 116 116 THR HA H 201 3.794 4.109 -0.315 1 1 727 . 13 1 1 A 116 116 THR CA C 201 66.734 66.419 0.315 1 1 728 . 13 1 1 A 116 116 THR CB C 201 68.624 69.180 -0.556 1 1 730 . 13 1 1 A 116 116 THR N N 201 116.160 116.884 -0.724 1 1 731 . 13 1 1 A 117 117 ASP H H 202 7.505 8.216 -0.711 1 1 732 . 13 1 1 A 117 117 ASP HA H 202 4.577 4.536 0.041 1 1 735 . 13 1 1 A 117 117 ASP CA C 202 58.057 57.661 0.396 1 1 736 . 13 1 1 A 117 117 ASP CB C 202 41.747 41.596 0.151 1 1 737 . 13 1 1 A 117 117 ASP N N 202 120.175 121.262 -1.087 1 1 738 . 13 1 1 A 118 118 VAL H H 203 8.236 8.697 -0.461 1 1 739 . 13 1 1 A 118 118 VAL HA H 203 3.324 3.853 -0.529 1 1 747 . 13 1 1 A 118 118 VAL CA C 203 67.799 65.237 2.562 1 1 748 . 13 1 1 A 118 118 VAL CB C 203 31.269 30.976 0.293 1 1 751 . 13 1 1 A 118 118 VAL N N 203 119.654 118.823 0.831 1 1 752 . 13 1 1 A 119 119 LYS H H 204 7.740 7.815 -0.075 1 1 753 . 13 1 1 A 119 119 LYS HA H 204 4.090 4.087 0.003 1 1 762 . 13 1 1 A 119 119 LYS CA C 204 59.368 59.283 0.085 1 1 763 . 13 1 1 A 119 119 LYS CB C 204 32.165 32.153 0.012 1 1 767 . 13 1 1 A 119 119 LYS N N 204 119.288 121.466 -2.178 1 1 768 . 13 1 1 A 120 120 MET H H 205 8.235 8.330 -0.095 1 1 769 . 13 1 1 A 120 120 MET HA H 205 4.158 4.227 -0.069 1 1 777 . 13 1 1 A 120 120 MET CA C 205 59.819 58.852 0.967 1 1 778 . 13 1 1 A 120 120 MET CB C 205 33.078 32.999 0.079 1 1 781 . 13 1 1 A 120 120 MET N N 205 118.767 118.700 0.067 1 1 782 . 13 1 1 A 121 121 MET H H 206 8.755 8.059 0.696 1 1 783 . 13 1 1 A 121 121 MET HA H 206 3.580 4.306 -0.726 1 1 791 . 13 1 1 A 121 121 MET CA C 206 59.639 58.496 1.143 1 1 792 . 13 1 1 A 121 121 MET CB C 206 32.777 32.782 -0.005 1 1 795 . 13 1 1 A 121 121 MET N N 206 118.428 118.325 0.103 1 1 796 . 13 1 1 A 122 122 GLU H H 207 8.419 7.667 0.752 1 1 797 . 13 1 1 A 122 122 GLU HA H 207 3.688 4.080 -0.392 1 1 802 . 13 1 1 A 122 122 GLU CA C 207 60.390 59.432 0.958 1 1 803 . 13 1 1 A 122 122 GLU CB C 207 28.448 29.203 -0.755 1 1 805 . 13 1 1 A 122 122 GLU N N 207 118.469 118.502 -0.033 1 1 806 . 13 1 1 A 123 123 ARG H H 208 7.344 7.583 -0.239 1 1 807 . 13 1 1 A 123 123 ARG HA H 208 4.163 4.135 0.028 1 1 815 . 13 1 1 A 123 123 ARG CA C 208 58.537 58.980 -0.443 1 1 816 . 13 1 1 A 123 123 ARG CB C 208 29.925 29.724 0.201 1 1 819 . 13 1 1 A 123 123 ARG N N 208 116.990 121.210 -4.220 1 1 821 . 13 1 1 A 124 124 VAL H H 209 8.299 8.244 0.055 1 1 822 . 13 1 1 A 124 124 VAL HA H 209 3.798 3.711 0.087 1 1 830 . 13 1 1 A 124 124 VAL CA C 209 65.995 66.440 -0.445 1 1 831 . 13 1 1 A 124 124 VAL CB C 209 32.075 31.729 0.346 1 1 834 . 13 1 1 A 124 124 VAL N N 209 119.301 119.567 -0.266 1 1 835 . 13 1 1 A 125 125 VAL H H 210 9.016 7.821 1.195 1 1 836 . 13 1 1 A 125 125 VAL HA H 210 3.643 3.577 0.066 1 1 844 . 13 1 1 A 125 125 VAL CA C 210 66.591 66.673 -0.082 1 1 845 . 13 1 1 A 125 125 VAL CB C 210 31.836 31.675 0.161 1 1 848 . 13 1 1 A 125 125 VAL N N 210 121.312 120.196 1.116 1 1 849 . 13 1 1 A 126 126 GLU H H 211 8.153 7.978 0.175 1 1 850 . 13 1 1 A 126 126 GLU HA H 211 3.622 4.063 -0.441 1 1 855 . 13 1 1 A 126 126 GLU CA C 211 60.997 59.617 1.380 1 1 856 . 13 1 1 A 126 126 GLU CB C 211 28.921 28.878 0.043 1 1 858 . 13 1 1 A 126 126 GLU N N 211 120.456 119.708 0.748 1 1 859 . 13 1 1 A 127 127 GLN H H 212 7.274 7.609 -0.335 1 1 862 . 13 1 1 A 127 127 GLN CA C 212 58.803 58.820 -0.017 1 1 863 . 13 1 1 A 127 127 GLN N N 212 115.025 118.713 -3.688 1 1 865 . 13 1 1 A 128 128 MET H H 213 8.324 8.009 0.315 1 1 866 . 13 1 1 A 128 128 MET HA H 213 4.146 4.343 -0.197 1 1 872 . 13 1 1 A 128 128 MET CA C 213 59.976 58.248 1.728 1 1 873 . 13 1 1 A 128 128 MET CB C 213 31.911 32.248 -0.337 1 1 875 . 13 1 1 A 128 128 MET N N 213 119.344 117.592 1.752 1 1 876 . 13 1 1 A 129 129 CYS H H 214 9.219 8.021 1.198 1 1 877 . 13 1 1 A 129 129 CYS CA C 214 59.821 61.998 -2.177 1 1 878 . 13 1 1 A 129 129 CYS N N 214 118.992 119.377 -0.385 1 1 879 . 13 1 1 A 130 130 ILE H H 215 8.340 8.436 -0.096 1 1 880 . 13 1 1 A 130 130 ILE HA H 215 3.563 3.826 -0.263 1 1 890 . 13 1 1 A 130 130 ILE CA C 215 66.751 65.255 1.496 1 1 891 . 13 1 1 A 130 130 ILE CB C 215 37.814 37.643 0.171 1 1 895 . 13 1 1 A 130 130 ILE N N 215 123.750 120.628 3.122 1 1 896 . 13 1 1 A 131 131 THR H H 216 8.142 7.849 0.293 1 1 897 . 13 1 1 A 131 131 THR HA H 216 3.940 3.942 -0.002 1 1 902 . 13 1 1 A 131 131 THR CA C 216 66.898 66.865 0.033 1 1 903 . 13 1 1 A 131 131 THR CB C 216 69.608 68.312 1.296 1 1 905 . 13 1 1 A 131 131 THR N N 216 118.528 116.604 1.924 1 1 906 . 13 1 1 A 132 132 GLN H H 217 8.687 7.592 1.095 1 1 907 . 13 1 1 A 132 132 GLN HA H 217 3.688 3.930 -0.242 1 1 914 . 13 1 1 A 132 132 GLN CA C 217 58.527 58.475 0.052 1 1 915 . 13 1 1 A 132 132 GLN CB C 217 28.353 28.351 0.002 1 1 917 . 13 1 1 A 132 132 GLN N N 217 121.765 120.155 1.610 1 1 919 . 13 1 1 A 133 133 TYR HA H 218 4.532 4.627 -0.095 1 1 926 . 13 1 1 A 133 133 TYR CA C 218 55.867 58.271 -2.404 1 1 927 . 13 1 1 A 133 133 TYR CB C 218 37.912 39.119 -1.207 1 1 930 . 13 1 1 A 134 134 GLU H H 219 8.293 8.868 -0.575 1 1 931 . 13 1 1 A 134 134 GLU HA H 219 3.689 4.092 -0.403 1 1 936 . 13 1 1 A 134 134 GLU CA C 219 59.268 59.230 0.038 1 1 937 . 13 1 1 A 134 134 GLU CB C 219 28.324 29.217 -0.893 1 1 939 . 13 1 1 A 134 134 GLU N N 219 120.400 124.673 -4.273 1 1 940 . 13 1 1 A 135 135 ARG H H 220 7.887 8.167 -0.280 1 1 941 . 13 1 1 A 135 135 ARG HA H 220 3.981 4.092 -0.111 1 1 949 . 13 1 1 A 135 135 ARG CA C 220 59.266 59.484 -0.218 1 1 950 . 13 1 1 A 135 135 ARG CB C 220 30.337 29.837 0.500 1 1 953 . 13 1 1 A 135 135 ARG N N 220 118.589 119.803 -1.214 1 1 955 . 13 1 1 A 137 137 SER HA H 222 3.954 4.108 -0.154 1 1 958 . 13 1 1 A 137 137 SER CA C 222 60.572 61.592 -1.020 1 1 959 . 13 1 1 A 137 137 SER CB C 222 62.761 63.016 -0.255 1 1 960 . 13 1 1 A 138 138 GLN H H 223 7.624 7.229 0.395 1 1 961 . 13 1 1 A 138 138 GLN HA H 223 4.153 4.386 -0.233 1 1 968 . 13 1 1 A 138 138 GLN CA C 223 57.658 58.070 -0.412 1 1 969 . 13 1 1 A 138 138 GLN CB C 223 28.370 27.494 0.876 1 1 971 . 13 1 1 A 138 138 GLN N N 223 120.575 121.437 -0.862 1 1 973 . 13 1 1 A 139 139 ALA H H 224 7.627 7.988 -0.361 1 1 974 . 13 1 1 A 139 139 ALA HA H 224 4.156 4.215 -0.059 1 1 978 . 13 1 1 A 139 139 ALA CA C 224 54.017 54.774 -0.757 1 1 979 . 13 1 1 A 139 139 ALA CB C 224 18.645 18.579 0.066 1 1 980 . 13 1 1 A 139 139 ALA N N 224 121.263 122.325 -1.062 1 1 981 . 13 1 1 A 140 140 TYR H H 225 8.048 8.066 -0.018 1 1 982 . 13 1 1 A 140 140 TYR HA H 225 4.204 4.415 -0.211 1 1 989 . 13 1 1 A 140 140 TYR CA C 225 59.890 60.513 -0.623 1 1 990 . 13 1 1 A 140 140 TYR CB C 225 38.994 37.052 1.942 1 1 993 . 13 1 1 A 140 140 TYR N N 225 118.980 117.206 1.774 1 1 994 . 13 1 1 A 141 141 TYR H H 226 7.948 7.805 0.143 1 1 995 . 13 1 1 A 141 141 TYR HA H 226 4.375 3.646 0.729 1 1 1002 . 13 1 1 A 141 141 TYR CA C 226 59.036 60.699 -1.663 1 1 1003 . 13 1 1 A 141 141 TYR CB C 226 38.060 38.265 -0.205 1 1 1006 . 13 1 1 A 141 141 TYR N N 226 118.596 121.830 -3.234 1 1 1007 . 13 1 1 A 142 142 GLN H H 227 7.941 7.896 0.045 1 1 1008 . 13 1 1 A 142 142 GLN HA H 227 4.240 4.352 -0.112 1 1 1015 . 13 1 1 A 142 142 GLN CA C 227 56.346 57.335 -0.989 1 1 1016 . 13 1 1 A 142 142 GLN CB C 227 28.912 28.282 0.630 1 1 1018 . 13 1 1 A 142 142 GLN N N 227 119.883 118.728 1.155 1 1 1020 . 13 1 1 A 143 143 ARG H H 228 7.966 8.525 -0.559 1 1 1021 . 13 1 1 A 143 143 ARG HA H 228 4.244 4.238 0.006 1 1 1029 . 13 1 1 A 143 143 ARG CA C 228 56.719 56.021 0.698 1 1 1030 . 13 1 1 A 143 143 ARG CB C 228 30.731 30.738 -0.007 1 1 1033 . 13 1 1 A 143 143 ARG N N 228 120.871 121.618 -0.747 1 1 1035 . 13 1 1 A 144 144 GLY H H 229 8.247 9.013 -0.766 1 1 1036 . 13 1 1 A 144 144 GLY HA2 H 229 3.992 3.663 0.329 1 1 1037 . 13 1 1 A 144 144 GLY HA3 H 229 3.992 3.693 0.299 1 1 1038 . 13 1 1 A 144 144 GLY CA C 229 45.359 46.419 -1.060 1 1 1039 . 13 1 1 A 144 144 GLY N N 229 109.072 112.484 -3.412 1 1 1040 . 13 1 1 A 145 145 SER H H 230 8.139 8.069 0.070 1 1 1041 . 13 1 1 A 145 145 SER HA H 230 4.506 4.839 -0.333 1 1 1044 . 13 1 1 A 145 145 SER CA C 230 58.123 57.051 1.072 1 1 1045 . 13 1 1 A 145 145 SER CB C 230 63.878 66.558 -2.680 1 1 1046 . 13 1 1 A 145 145 SER N N 230 115.684 115.037 0.647 1 1 16 . 14 1 1 A 41 41 GLY H H 126 8.484 8.438 0.046 1 1 17 . 14 1 1 A 41 41 GLY HA2 H 126 3.861 4.111 -0.250 1 1 18 . 14 1 1 A 41 41 GLY HA3 H 126 3.920 4.128 -0.208 1 1 19 . 14 1 1 A 41 41 GLY CA C 126 46.260 45.522 0.738 1 1 20 . 14 1 1 A 41 41 GLY N N 126 109.470 109.114 0.356 1 1 21 . 14 1 1 A 42 42 GLY H H 127 8.326 8.146 0.180 1 1 22 . 14 1 1 A 42 42 GLY HA2 H 127 3.749 3.653 0.096 1 1 23 . 14 1 1 A 42 42 GLY HA3 H 127 3.900 3.854 0.046 1 1 24 . 14 1 1 A 42 42 GLY CA C 127 45.226 45.846 -0.620 1 1 25 . 14 1 1 A 42 42 GLY N N 127 109.020 110.756 -1.736 1 1 26 . 14 1 1 A 43 43 TYR H H 128 7.692 7.560 0.132 1 1 27 . 14 1 1 A 43 43 TYR HA H 128 4.675 4.644 0.031 1 1 34 . 14 1 1 A 43 43 TYR CA C 128 57.271 58.352 -1.081 1 1 35 . 14 1 1 A 43 43 TYR CB C 128 40.257 37.561 2.696 1 1 38 . 14 1 1 A 43 43 TYR N N 128 117.301 118.443 -1.142 1 1 39 . 14 1 1 A 44 44 VAL H H 129 8.974 8.852 0.122 1 1 40 . 14 1 1 A 44 44 VAL HA H 129 4.344 4.136 0.208 1 1 48 . 14 1 1 A 44 44 VAL CA C 129 59.555 62.946 -3.391 1 1 49 . 14 1 1 A 44 44 VAL CB C 129 34.728 32.321 2.407 1 1 52 . 14 1 1 A 44 44 VAL N N 129 118.589 126.779 -8.190 1 1 53 . 14 1 1 A 45 45 LEU H H 130 8.029 8.545 -0.516 1 1 62 . 14 1 1 A 45 45 LEU N N 130 123.350 129.279 -5.929 1 1 63 . 14 1 1 A 46 46 GLY H H 131 9.278 8.364 0.914 1 1 64 . 14 1 1 A 46 46 GLY CA C 131 44.842 45.591 -0.749 1 1 65 . 14 1 1 A 46 46 GLY N N 131 114.623 112.158 2.465 1 1 66 . 14 1 1 A 47 47 SER H H 132 8.315 8.143 0.172 1 1 67 . 14 1 1 A 47 47 SER HA H 132 4.438 4.771 -0.333 1 1 70 . 14 1 1 A 47 47 SER CA C 132 58.520 59.181 -0.661 1 1 71 . 14 1 1 A 47 47 SER CB C 132 64.166 65.597 -1.431 1 1 72 . 14 1 1 A 47 47 SER N N 132 113.038 114.976 -1.938 1 1 73 . 14 1 1 A 48 48 ALA H H 133 8.736 8.001 0.735 1 1 74 . 14 1 1 A 48 48 ALA HA H 133 4.425 4.159 0.266 1 1 78 . 14 1 1 A 48 48 ALA CA C 133 53.090 54.337 -1.247 1 1 79 . 14 1 1 A 48 48 ALA CB C 133 18.465 17.853 0.612 1 1 80 . 14 1 1 A 48 48 ALA N N 133 125.270 122.237 3.033 1 1 81 . 14 1 1 A 49 49 MET H H 134 8.758 8.549 0.209 1 1 82 . 14 1 1 A 49 49 MET HA H 134 4.754 4.728 0.026 1 1 90 . 14 1 1 A 49 49 MET CA C 134 53.972 54.586 -0.614 1 1 91 . 14 1 1 A 49 49 MET CB C 134 37.222 34.004 3.218 1 1 94 . 14 1 1 A 49 49 MET N N 134 120.911 118.779 2.132 1 1 95 . 14 1 1 A 50 50 SER H H 135 8.430 8.698 -0.268 1 1 96 . 14 1 1 A 50 50 SER HA H 135 4.356 4.694 -0.338 1 1 99 . 14 1 1 A 50 50 SER CA C 135 58.630 56.537 2.093 1 1 100 . 14 1 1 A 50 50 SER CB C 135 63.575 64.811 -1.236 1 1 101 . 14 1 1 A 50 50 SER N N 135 116.162 118.009 -1.847 1 1 102 . 14 1 1 A 51 51 ARG H H 136 8.646 8.932 -0.286 1 1 103 . 14 1 1 A 51 51 ARG HA H 136 4.434 3.831 0.603 1 1 111 . 14 1 1 A 51 51 ARG CA C 136 54.863 56.559 -1.696 1 1 112 . 14 1 1 A 51 51 ARG CB C 136 30.519 28.459 2.060 1 1 115 . 14 1 1 A 51 51 ARG N N 136 126.460 124.492 1.968 1 1 117 . 14 1 1 A 52 52 PRO HA H 137 4.413 4.537 -0.124 1 1 124 . 14 1 1 A 52 52 PRO CA C 137 62.198 64.882 -2.684 1 1 125 . 14 1 1 A 52 52 PRO CB C 137 32.165 32.067 0.098 1 1 128 . 14 1 1 A 53 53 ILE H H 138 8.647 7.611 1.036 1 1 129 . 14 1 1 A 53 53 ILE HA H 138 4.160 4.082 0.078 1 1 139 . 14 1 1 A 53 53 ILE CA C 138 60.851 61.458 -0.607 1 1 140 . 14 1 1 A 53 53 ILE CB C 138 36.101 37.741 -1.640 1 1 144 . 14 1 1 A 53 53 ILE N N 138 122.534 117.651 4.883 1 1 145 . 14 1 1 A 54 54 ILE H H 139 6.485 8.227 -1.742 1 1 146 . 14 1 1 A 54 54 ILE HA H 139 3.926 4.261 -0.335 1 1 156 . 14 1 1 A 54 54 ILE CA C 139 58.665 60.805 -2.140 1 1 157 . 14 1 1 A 54 54 ILE CB C 139 39.251 39.653 -0.402 1 1 161 . 14 1 1 A 54 54 ILE N N 139 126.733 129.095 -2.362 1 1 162 . 14 1 1 A 55 55 HIS H H 140 8.249 8.123 0.126 1 1 163 . 14 1 1 A 55 55 HIS HA H 140 4.935 4.074 0.861 1 1 167 . 14 1 1 A 55 55 HIS CA C 140 54.209 57.209 -3.000 1 1 168 . 14 1 1 A 55 55 HIS CB C 140 29.326 30.164 -0.838 1 1 170 . 14 1 1 A 55 55 HIS N N 140 122.048 125.181 -3.133 1 1 171 . 14 1 1 A 56 56 PHE H H 141 10.205 8.276 1.929 1 1 172 . 14 1 1 A 56 56 PHE HA H 141 4.360 3.886 0.474 1 1 175 . 14 1 1 A 56 56 PHE CA C 141 59.367 61.068 -1.701 1 1 176 . 14 1 1 A 56 56 PHE CB C 141 41.594 39.130 2.464 1 1 177 . 14 1 1 A 56 56 PHE N N 141 124.145 124.551 -0.406 1 1 178 . 14 1 1 A 57 57 GLY H H 142 9.008 8.654 0.354 1 1 179 . 14 1 1 A 57 57 GLY HA2 H 142 3.835 4.006 -0.171 1 1 180 . 14 1 1 A 57 57 GLY HA3 H 142 4.168 4.011 0.157 1 1 181 . 14 1 1 A 57 57 GLY CA C 142 45.777 45.580 0.197 1 1 182 . 14 1 1 A 57 57 GLY N N 142 108.268 108.140 0.128 1 1 183 . 14 1 1 A 58 58 SER H H 143 7.327 7.850 -0.523 1 1 184 . 14 1 1 A 58 58 SER HA H 143 4.820 4.835 -0.015 1 1 187 . 14 1 1 A 58 58 SER CA C 143 56.405 57.567 -1.162 1 1 188 . 14 1 1 A 58 58 SER CB C 143 66.034 66.253 -0.219 1 1 189 . 14 1 1 A 58 58 SER N N 143 111.827 114.684 -2.857 1 1 190 . 14 1 1 A 59 59 ASP H H 144 9.051 8.922 0.129 1 1 191 . 14 1 1 A 59 59 ASP HA H 144 4.502 4.086 0.416 1 1 194 . 14 1 1 A 59 59 ASP CA C 144 57.676 57.002 0.674 1 1 195 . 14 1 1 A 59 59 ASP CB C 144 40.505 40.041 0.464 1 1 196 . 14 1 1 A 59 59 ASP N N 144 124.541 127.929 -3.388 1 1 197 . 14 1 1 A 60 60 TYR H H 145 8.571 7.525 1.046 1 1 198 . 14 1 1 A 60 60 TYR HA H 145 4.197 4.265 -0.068 1 1 205 . 14 1 1 A 60 60 TYR CA C 145 61.232 61.384 -0.152 1 1 206 . 14 1 1 A 60 60 TYR CB C 145 37.912 37.926 -0.014 1 1 209 . 14 1 1 A 60 60 TYR N N 145 118.914 118.144 0.770 1 1 210 . 14 1 1 A 61 61 GLU H H 146 7.737 8.504 -0.767 1 1 211 . 14 1 1 A 61 61 GLU HA H 146 3.590 4.085 -0.495 1 1 216 . 14 1 1 A 61 61 GLU CA C 146 59.607 59.850 -0.243 1 1 217 . 14 1 1 A 61 61 GLU CB C 146 30.059 29.328 0.731 1 1 219 . 14 1 1 A 61 61 GLU N N 146 118.985 119.404 -0.419 1 1 220 . 14 1 1 A 62 62 ASP H H 147 8.213 8.665 -0.452 1 1 221 . 14 1 1 A 62 62 ASP HA H 147 4.666 4.495 0.171 1 1 224 . 14 1 1 A 62 62 ASP CA C 147 58.292 57.420 0.872 1 1 225 . 14 1 1 A 62 62 ASP CB C 147 40.171 41.701 -1.530 1 1 226 . 14 1 1 A 62 62 ASP N N 147 119.785 119.763 0.022 1 1 227 . 14 1 1 A 63 63 ARG H H 148 8.229 7.682 0.547 1 1 228 . 14 1 1 A 63 63 ARG HA H 148 4.016 4.008 0.008 1 1 236 . 14 1 1 A 63 63 ARG CA C 148 59.611 59.710 -0.099 1 1 237 . 14 1 1 A 63 63 ARG CB C 148 30.059 30.024 0.035 1 1 240 . 14 1 1 A 63 63 ARG N N 148 120.339 118.992 1.347 1 1 242 . 14 1 1 A 64 64 TYR H H 149 8.340 8.465 -0.125 1 1 243 . 14 1 1 A 64 64 TYR HA H 149 3.829 4.338 -0.509 1 1 250 . 14 1 1 A 64 64 TYR CA C 149 61.991 61.053 0.938 1 1 251 . 14 1 1 A 64 64 TYR CB C 149 38.417 38.356 0.061 1 1 254 . 14 1 1 A 64 64 TYR N N 149 121.093 121.228 -0.135 1 1 255 . 14 1 1 A 65 65 TYR H H 150 8.979 8.516 0.463 1 1 256 . 14 1 1 A 65 65 TYR HA H 150 4.132 4.222 -0.090 1 1 263 . 14 1 1 A 65 65 TYR CA C 150 62.691 61.200 1.491 1 1 264 . 14 1 1 A 65 65 TYR CB C 150 38.025 38.948 -0.923 1 1 267 . 14 1 1 A 65 65 TYR N N 150 120.575 121.280 -0.705 1 1 268 . 14 1 1 A 66 66 ARG H H 151 7.997 8.003 -0.006 1 1 269 . 14 1 1 A 66 66 ARG HA H 151 3.925 3.821 0.104 1 1 277 . 14 1 1 A 66 66 ARG CA C 151 60.050 59.123 0.927 1 1 278 . 14 1 1 A 66 66 ARG CB C 151 29.901 29.546 0.355 1 1 281 . 14 1 1 A 66 66 ARG N N 151 117.799 119.501 -1.702 1 1 283 . 14 1 1 A 67 67 GLU H H 152 8.076 8.084 -0.008 1 1 284 . 14 1 1 A 67 67 GLU HA H 152 4.082 4.009 0.073 1 1 289 . 14 1 1 A 67 67 GLU CA C 152 58.125 57.812 0.313 1 1 290 . 14 1 1 A 67 67 GLU CB C 152 29.743 29.925 -0.182 1 1 292 . 14 1 1 A 67 67 GLU N N 152 116.601 117.197 -0.596 1 1 293 . 14 1 1 A 68 68 ASN H H 153 7.621 7.852 -0.231 1 1 294 . 14 1 1 A 68 68 ASN HA H 153 4.321 4.894 -0.573 1 1 299 . 14 1 1 A 68 68 ASN CA C 153 54.958 54.698 0.260 1 1 300 . 14 1 1 A 68 68 ASN CB C 153 41.041 39.007 2.034 1 1 301 . 14 1 1 A 68 68 ASN N N 153 114.623 116.716 -2.093 1 1 303 . 14 1 1 A 69 69 MET H H 154 8.105 8.242 -0.137 1 1 304 . 14 1 1 A 69 69 MET HA H 154 3.458 4.135 -0.677 1 1 312 . 14 1 1 A 69 69 MET CA C 154 59.104 58.063 1.041 1 1 313 . 14 1 1 A 69 69 MET CB C 154 30.533 31.987 -1.454 1 1 316 . 14 1 1 A 69 69 MET N N 154 119.633 117.707 1.926 1 1 317 . 14 1 1 A 70 70 HIS H H 155 8.070 8.259 -0.189 1 1 319 . 14 1 1 A 70 70 HIS CA C 155 57.650 58.743 -1.093 1 1 320 . 14 1 1 A 70 70 HIS CB C 155 27.591 28.752 -1.161 1 1 322 . 14 1 1 A 70 70 HIS N N 155 115.018 116.464 -1.446 1 1 323 . 14 1 1 A 71 71 ARG H H 156 7.618 8.015 -0.397 1 1 325 . 14 1 1 A 71 71 ARG CA C 156 56.278 55.331 0.947 1 1 326 . 14 1 1 A 71 71 ARG CB C 156 30.770 30.046 0.724 1 1 329 . 14 1 1 A 71 71 ARG N N 156 118.197 118.399 -0.202 1 1 331 . 14 1 1 A 72 72 TYR H H 157 7.473 8.195 -0.722 1 1 332 . 14 1 1 A 72 72 TYR HA H 157 5.034 4.634 0.400 1 1 339 . 14 1 1 A 72 72 TYR CA C 157 52.768 56.568 -3.800 1 1 340 . 14 1 1 A 72 72 TYR CB C 157 35.150 38.466 -3.316 1 1 343 . 14 1 1 A 72 72 TYR N N 157 120.873 118.574 2.299 1 1 344 . 14 1 1 A 73 73 PRO HA H 158 4.425 4.404 0.021 1 1 351 . 14 1 1 A 73 73 PRO CA C 158 63.737 62.351 1.386 1 1 352 . 14 1 1 A 73 73 PRO CB C 158 32.071 31.485 0.586 1 1 355 . 14 1 1 A 74 74 ASN H H 159 8.562 8.687 -0.125 1 1 356 . 14 1 1 A 74 74 ASN HA H 159 4.708 4.190 0.518 1 1 361 . 14 1 1 A 74 74 ASN CA C 159 51.965 55.096 -3.131 1 1 362 . 14 1 1 A 74 74 ASN CB C 159 37.898 39.770 -1.872 1 1 363 . 14 1 1 A 74 74 ASN N N 159 116.213 120.783 -4.570 1 1 365 . 14 1 1 A 75 75 GLN H H 160 7.302 7.529 -0.227 1 1 366 . 14 1 1 A 75 75 GLN HA H 160 4.479 4.810 -0.331 1 1 371 . 14 1 1 A 75 75 GLN CA C 160 54.184 54.224 -0.040 1 1 372 . 14 1 1 A 75 75 GLN CB C 160 34.167 32.965 1.202 1 1 373 . 14 1 1 A 75 75 GLN N N 160 114.122 116.683 -2.561 1 1 375 . 14 1 1 A 76 76 VAL H H 161 8.635 8.665 -0.030 1 1 376 . 14 1 1 A 76 76 VAL HA H 161 4.916 4.506 0.410 1 1 384 . 14 1 1 A 76 76 VAL CA C 161 58.557 59.822 -1.265 1 1 385 . 14 1 1 A 76 76 VAL CB C 161 33.635 33.725 -0.090 1 1 388 . 14 1 1 A 76 76 VAL N N 161 112.903 118.375 -5.472 1 1 389 . 14 1 1 A 77 77 TYR H H 162 8.554 8.414 0.140 1 1 390 . 14 1 1 A 77 77 TYR HA H 162 5.440 5.200 0.240 1 1 397 . 14 1 1 A 77 77 TYR CA C 162 57.057 56.660 0.397 1 1 398 . 14 1 1 A 77 77 TYR CB C 162 42.147 39.683 2.464 1 1 401 . 14 1 1 A 77 77 TYR N N 162 120.972 123.630 -2.658 1 1 402 . 14 1 1 A 78 78 TYR H H 163 8.686 8.758 -0.072 1 1 403 . 14 1 1 A 78 78 TYR HA H 163 4.797 5.575 -0.778 1 1 410 . 14 1 1 A 78 78 TYR CA C 163 55.484 55.949 -0.465 1 1 413 . 14 1 1 A 78 78 TYR N N 163 111.059 120.315 -9.256 1 1 429 . 14 1 1 A 86 86 ASN HA H 171 4.733 4.683 0.050 1 1 434 . 14 1 1 A 86 86 ASN CA C 171 52.388 53.788 -1.400 1 1 435 . 14 1 1 A 86 86 ASN CB C 171 39.935 39.105 0.830 1 1 437 . 14 1 1 A 87 87 GLN H H 172 8.740 8.792 -0.052 1 1 440 . 14 1 1 A 87 87 GLN CA C 172 59.906 59.319 0.587 1 1 441 . 14 1 1 A 87 87 GLN CB C 172 29.065 28.777 0.288 1 1 443 . 14 1 1 A 87 87 GLN N N 172 121.279 121.555 -0.276 1 1 445 . 14 1 1 A 88 88 ASN H H 173 8.427 8.442 -0.015 1 1 446 . 14 1 1 A 88 88 ASN HA H 173 4.255 4.454 -0.199 1 1 451 . 14 1 1 A 88 88 ASN CA C 173 56.396 56.994 -0.598 1 1 452 . 14 1 1 A 88 88 ASN CB C 173 37.912 39.541 -1.629 1 1 453 . 14 1 1 A 88 88 ASN N N 173 116.210 118.478 -2.268 1 1 455 . 14 1 1 A 89 89 ASN H H 174 8.542 8.235 0.307 1 1 456 . 14 1 1 A 89 89 ASN HA H 174 4.509 4.343 0.166 1 1 461 . 14 1 1 A 89 89 ASN CA C 174 56.013 56.383 -0.370 1 1 462 . 14 1 1 A 89 89 ASN CB C 174 38.359 37.706 0.653 1 1 463 . 14 1 1 A 89 89 ASN N N 174 118.573 117.404 1.169 1 1 465 . 14 1 1 A 90 90 PHE H H 175 8.113 8.152 -0.039 1 1 466 . 14 1 1 A 90 90 PHE CA C 175 61.432 61.440 -0.008 1 1 467 . 14 1 1 A 90 90 PHE N N 175 120.437 122.249 -1.812 1 1 468 . 14 1 1 A 91 91 VAL H H 176 9.215 8.501 0.714 1 1 469 . 14 1 1 A 91 91 VAL HA H 176 3.608 3.512 0.096 1 1 477 . 14 1 1 A 91 91 VAL CA C 176 67.888 66.656 1.232 1 1 478 . 14 1 1 A 91 91 VAL CB C 176 32.042 31.697 0.345 1 1 480 . 14 1 1 A 91 91 VAL N N 176 120.071 119.038 1.033 1 1 481 . 14 1 1 A 92 92 HIS H H 177 8.497 8.245 0.252 1 1 482 . 14 1 1 A 92 92 HIS HA H 177 4.353 4.246 0.107 1 1 485 . 14 1 1 A 92 92 HIS CA C 177 59.251 60.005 -0.754 1 1 486 . 14 1 1 A 92 92 HIS CB C 177 28.104 29.683 -1.579 1 1 487 . 14 1 1 A 92 92 HIS N N 177 117.399 118.235 -0.836 1 1 488 . 14 1 1 A 93 93 ASN H H 178 7.860 8.582 -0.722 1 1 489 . 14 1 1 A 93 93 ASN HA H 178 4.521 4.385 0.136 1 1 494 . 14 1 1 A 93 93 ASN CA C 178 56.244 56.351 -0.107 1 1 495 . 14 1 1 A 93 93 ASN CB C 178 37.934 37.520 0.414 1 1 496 . 14 1 1 A 93 93 ASN N N 178 116.474 116.584 -0.110 1 1 498 . 14 1 1 A 94 94 CYS H H 179 8.133 8.035 0.098 1 1 499 . 14 1 1 A 94 94 CYS CA C 179 58.595 62.674 -4.079 1 1 500 . 14 1 1 A 94 94 CYS CB C 179 40.911 27.110 13.801 1 1 501 . 14 1 1 A 94 94 CYS N N 179 120.418 119.157 1.261 1 1 502 . 14 1 1 A 95 95 VAL H H 180 9.280 7.612 1.668 1 1 503 . 14 1 1 A 95 95 VAL HA H 180 3.654 3.510 0.144 1 1 511 . 14 1 1 A 95 95 VAL CA C 180 66.400 66.660 -0.260 1 1 512 . 14 1 1 A 95 95 VAL CB C 180 31.912 31.319 0.593 1 1 515 . 14 1 1 A 95 95 VAL N N 180 125.212 120.284 4.928 1 1 516 . 14 1 1 A 96 96 ASN H H 181 7.696 8.259 -0.563 1 1 517 . 14 1 1 A 96 96 ASN HA H 181 4.321 4.469 -0.148 1 1 522 . 14 1 1 A 96 96 ASN CA C 181 56.419 56.612 -0.193 1 1 523 . 14 1 1 A 96 96 ASN CB C 181 38.654 38.218 0.436 1 1 524 . 14 1 1 A 96 96 ASN N N 181 115.816 119.784 -3.968 1 1 526 . 14 1 1 A 97 97 ILE H H 182 8.385 7.568 0.817 1 1 527 . 14 1 1 A 97 97 ILE HA H 182 3.726 3.693 0.033 1 1 537 . 14 1 1 A 97 97 ILE CA C 182 62.446 65.360 -2.914 1 1 538 . 14 1 1 A 97 97 ILE CB C 182 36.464 37.933 -1.469 1 1 542 . 14 1 1 A 97 97 ILE N N 182 118.191 120.328 -2.137 1 1 543 . 14 1 1 A 98 98 THR H H 183 8.157 7.366 0.791 1 1 544 . 14 1 1 A 98 98 THR HA H 183 4.078 3.680 0.398 1 1 549 . 14 1 1 A 98 98 THR CA C 183 68.807 66.656 2.151 1 1 550 . 14 1 1 A 98 98 THR CB C 183 68.239 68.240 -0.001 1 1 552 . 14 1 1 A 98 98 THR N N 183 117.797 117.362 0.435 1 1 553 . 14 1 1 A 99 99 ILE H H 184 8.528 8.178 0.350 1 1 554 . 14 1 1 A 99 99 ILE HA H 184 3.727 3.658 0.069 1 1 564 . 14 1 1 A 99 99 ILE CA C 184 65.621 64.346 1.275 1 1 565 . 14 1 1 A 99 99 ILE CB C 184 36.531 36.475 0.056 1 1 569 . 14 1 1 A 99 99 ILE N N 184 120.576 121.685 -1.109 1 1 570 . 14 1 1 A 100 100 LYS H H 185 7.953 8.330 -0.377 1 1 571 . 14 1 1 A 100 100 LYS HA H 185 4.068 4.020 0.048 1 1 580 . 14 1 1 A 100 100 LYS CA C 185 59.636 59.897 -0.261 1 1 581 . 14 1 1 A 100 100 LYS CB C 185 31.989 32.600 -0.611 1 1 585 . 14 1 1 A 100 100 LYS N N 185 122.562 122.102 0.460 1 1 586 . 14 1 1 A 101 101 GLN H H 186 8.376 7.980 0.396 1 1 589 . 14 1 1 A 101 101 GLN CA C 186 57.741 58.780 -1.039 1 1 590 . 14 1 1 A 101 101 GLN N N 186 116.213 118.588 -2.375 1 1 592 . 14 1 1 A 102 102 HIS H H 187 8.199 8.016 0.183 1 1 593 . 14 1 1 A 102 102 HIS HA H 187 4.593 4.441 0.152 1 1 596 . 14 1 1 A 102 102 HIS CA C 187 59.062 59.259 -0.197 1 1 597 . 14 1 1 A 102 102 HIS CB C 187 30.384 30.882 -0.498 1 1 598 . 14 1 1 A 102 102 HIS N N 187 118.199 120.779 -2.580 1 1 599 . 14 1 1 A 103 103 THR H H 188 8.245 8.114 0.131 1 1 600 . 14 1 1 A 103 103 THR HA H 188 4.184 4.418 -0.234 1 1 605 . 14 1 1 A 103 103 THR CA C 188 65.017 65.507 -0.490 1 1 606 . 14 1 1 A 103 103 THR CB C 188 69.167 68.446 0.721 1 1 608 . 14 1 1 A 103 103 THR N N 188 113.748 113.419 0.329 1 1 609 . 14 1 1 A 104 104 VAL H H 189 8.013 7.962 0.051 1 1 610 . 14 1 1 A 104 104 VAL HA H 189 4.004 3.600 0.404 1 1 618 . 14 1 1 A 104 104 VAL CA C 189 65.151 66.914 -1.763 1 1 619 . 14 1 1 A 104 104 VAL CB C 189 31.743 31.744 -0.001 1 1 622 . 14 1 1 A 104 104 VAL N N 189 122.142 123.012 -0.870 1 1 623 . 14 1 1 A 105 105 THR H H 190 8.092 7.694 0.398 1 1 624 . 14 1 1 A 105 105 THR HA H 190 4.250 3.990 0.260 1 1 629 . 14 1 1 A 105 105 THR CA C 190 64.314 65.638 -1.324 1 1 630 . 14 1 1 A 105 105 THR CB C 190 69.159 68.211 0.948 1 1 632 . 14 1 1 A 105 105 THR N N 190 115.022 115.540 -0.518 1 1 633 . 14 1 1 A 106 106 THR H H 191 8.017 7.653 0.364 1 1 634 . 14 1 1 A 106 106 THR HA H 191 4.214 3.938 0.276 1 1 639 . 14 1 1 A 106 106 THR CA C 191 63.874 65.695 -1.821 1 1 640 . 14 1 1 A 106 106 THR CB C 191 69.009 68.370 0.639 1 1 642 . 14 1 1 A 106 106 THR N N 191 114.622 116.941 -2.319 1 1 643 . 14 1 1 A 107 107 THR H H 192 8.194 8.040 0.154 1 1 644 . 14 1 1 A 107 107 THR CA C 192 64.201 65.514 -1.313 1 1 645 . 14 1 1 A 107 107 THR CB C 192 69.159 68.311 0.848 1 1 647 . 14 1 1 A 107 107 THR N N 192 116.611 113.567 3.044 1 1 648 . 14 1 1 A 108 108 THR H H 193 7.932 8.166 -0.234 1 1 649 . 14 1 1 A 108 108 THR CA C 193 63.871 67.385 -3.514 1 1 650 . 14 1 1 A 108 108 THR CB C 193 69.002 68.235 0.767 1 1 652 . 14 1 1 A 108 108 THR N N 193 116.096 116.837 -0.741 1 1 653 . 14 1 1 A 109 109 LYS H H 194 7.821 7.462 0.359 1 1 654 . 14 1 1 A 109 109 LYS HA H 194 4.364 4.199 0.165 1 1 663 . 14 1 1 A 109 109 LYS CA C 194 56.285 56.010 0.275 1 1 664 . 14 1 1 A 109 109 LYS CB C 194 32.636 32.863 -0.227 1 1 668 . 14 1 1 A 109 109 LYS N N 194 120.975 118.095 2.880 1 1 669 . 14 1 1 A 110 110 GLY H H 195 8.109 7.869 0.240 1 1 670 . 14 1 1 A 110 110 GLY HA2 H 195 3.858 3.878 -0.020 1 1 671 . 14 1 1 A 110 110 GLY HA3 H 195 4.083 3.884 0.199 1 1 672 . 14 1 1 A 110 110 GLY CA C 195 45.511 46.138 -0.627 1 1 673 . 14 1 1 A 110 110 GLY N N 195 108.675 109.327 -0.652 1 1 674 . 14 1 1 A 111 111 GLU H H 196 7.706 7.895 -0.189 1 1 675 . 14 1 1 A 111 111 GLU HA H 196 4.258 4.835 -0.577 1 1 680 . 14 1 1 A 111 111 GLU CA C 196 55.837 54.358 1.479 1 1 681 . 14 1 1 A 111 111 GLU CB C 196 30.673 33.330 -2.657 1 1 683 . 14 1 1 A 111 111 GLU N N 196 120.028 119.667 0.361 1 1 684 . 14 1 1 A 112 112 ASN H H 197 8.460 8.640 -0.180 1 1 685 . 14 1 1 A 112 112 ASN HA H 197 4.668 5.352 -0.684 1 1 690 . 14 1 1 A 112 112 ASN CA C 197 52.923 51.753 1.170 1 1 691 . 14 1 1 A 112 112 ASN CB C 197 40.491 41.808 -1.317 1 1 692 . 14 1 1 A 112 112 ASN N N 197 119.716 118.279 1.437 1 1 694 . 14 1 1 A 113 113 PHE H H 198 8.655 8.768 -0.113 1 1 695 . 14 1 1 A 113 113 PHE HA H 198 5.262 4.930 0.332 1 1 698 . 14 1 1 A 113 113 PHE CA C 198 56.640 57.533 -0.893 1 1 699 . 14 1 1 A 113 113 PHE CB C 198 39.899 40.317 -0.418 1 1 700 . 14 1 1 A 113 113 PHE N N 198 122.046 120.778 1.268 1 1 701 . 14 1 1 A 114 114 THR H H 199 9.506 9.012 0.494 1 1 702 . 14 1 1 A 114 114 THR HA H 199 4.625 4.753 -0.128 1 1 707 . 14 1 1 A 114 114 THR CA C 199 60.305 60.464 -0.159 1 1 708 . 14 1 1 A 114 114 THR CB C 199 72.033 71.625 0.408 1 1 710 . 14 1 1 A 114 114 THR N N 199 116.124 114.767 1.357 1 1 711 . 14 1 1 A 115 115 GLU H H 200 9.120 9.054 0.066 1 1 712 . 14 1 1 A 115 115 GLU HA H 200 4.051 4.124 -0.073 1 1 717 . 14 1 1 A 115 115 GLU CA C 200 59.877 59.088 0.789 1 1 718 . 14 1 1 A 115 115 GLU CB C 200 28.787 29.144 -0.357 1 1 720 . 14 1 1 A 115 115 GLU N N 200 119.993 120.555 -0.562 1 1 721 . 14 1 1 A 116 116 THR H H 201 7.955 7.670 0.285 1 1 722 . 14 1 1 A 116 116 THR HA H 201 3.794 4.087 -0.293 1 1 727 . 14 1 1 A 116 116 THR CA C 201 66.734 66.421 0.313 1 1 728 . 14 1 1 A 116 116 THR CB C 201 68.624 69.207 -0.583 1 1 730 . 14 1 1 A 116 116 THR N N 201 116.160 116.548 -0.388 1 1 731 . 14 1 1 A 117 117 ASP H H 202 7.505 8.094 -0.589 1 1 732 . 14 1 1 A 117 117 ASP HA H 202 4.577 4.461 0.116 1 1 735 . 14 1 1 A 117 117 ASP CA C 202 58.057 57.579 0.478 1 1 736 . 14 1 1 A 117 117 ASP CB C 202 41.747 41.557 0.190 1 1 737 . 14 1 1 A 117 117 ASP N N 202 120.175 121.383 -1.208 1 1 738 . 14 1 1 A 118 118 VAL H H 203 8.236 8.627 -0.391 1 1 739 . 14 1 1 A 118 118 VAL HA H 203 3.324 3.680 -0.356 1 1 747 . 14 1 1 A 118 118 VAL CA C 203 67.799 64.980 2.819 1 1 748 . 14 1 1 A 118 118 VAL CB C 203 31.269 30.744 0.525 1 1 751 . 14 1 1 A 118 118 VAL N N 203 119.654 118.475 1.179 1 1 752 . 14 1 1 A 119 119 LYS H H 204 7.740 7.820 -0.080 1 1 753 . 14 1 1 A 119 119 LYS HA H 204 4.090 4.073 0.017 1 1 762 . 14 1 1 A 119 119 LYS CA C 204 59.368 59.286 0.082 1 1 763 . 14 1 1 A 119 119 LYS CB C 204 32.165 32.067 0.098 1 1 767 . 14 1 1 A 119 119 LYS N N 204 119.288 122.338 -3.050 1 1 768 . 14 1 1 A 120 120 MET H H 205 8.235 8.019 0.216 1 1 769 . 14 1 1 A 120 120 MET HA H 205 4.158 4.202 -0.044 1 1 777 . 14 1 1 A 120 120 MET CA C 205 59.819 58.222 1.597 1 1 778 . 14 1 1 A 120 120 MET CB C 205 33.078 32.834 0.244 1 1 781 . 14 1 1 A 120 120 MET N N 205 118.767 119.638 -0.871 1 1 782 . 14 1 1 A 121 121 MET H H 206 8.755 7.889 0.866 1 1 783 . 14 1 1 A 121 121 MET HA H 206 3.580 4.182 -0.602 1 1 791 . 14 1 1 A 121 121 MET CA C 206 59.639 58.482 1.157 1 1 792 . 14 1 1 A 121 121 MET CB C 206 32.777 32.919 -0.142 1 1 795 . 14 1 1 A 121 121 MET N N 206 118.428 118.491 -0.063 1 1 796 . 14 1 1 A 122 122 GLU H H 207 8.419 7.944 0.475 1 1 797 . 14 1 1 A 122 122 GLU HA H 207 3.688 3.856 -0.168 1 1 802 . 14 1 1 A 122 122 GLU CA C 207 60.390 59.394 0.996 1 1 803 . 14 1 1 A 122 122 GLU CB C 207 28.448 29.257 -0.809 1 1 805 . 14 1 1 A 122 122 GLU N N 207 118.469 118.288 0.181 1 1 806 . 14 1 1 A 123 123 ARG H H 208 7.344 7.699 -0.355 1 1 807 . 14 1 1 A 123 123 ARG HA H 208 4.163 4.045 0.118 1 1 815 . 14 1 1 A 123 123 ARG CA C 208 58.537 58.782 -0.245 1 1 816 . 14 1 1 A 123 123 ARG CB C 208 29.925 29.706 0.219 1 1 819 . 14 1 1 A 123 123 ARG N N 208 116.990 120.856 -3.866 1 1 821 . 14 1 1 A 124 124 VAL H H 209 8.299 7.605 0.694 1 1 822 . 14 1 1 A 124 124 VAL HA H 209 3.798 3.586 0.212 1 1 830 . 14 1 1 A 124 124 VAL CA C 209 65.995 66.443 -0.448 1 1 831 . 14 1 1 A 124 124 VAL CB C 209 32.075 31.617 0.458 1 1 834 . 14 1 1 A 124 124 VAL N N 209 119.301 119.742 -0.441 1 1 835 . 14 1 1 A 125 125 VAL H H 210 9.016 7.913 1.103 1 1 836 . 14 1 1 A 125 125 VAL HA H 210 3.643 3.414 0.229 1 1 844 . 14 1 1 A 125 125 VAL CA C 210 66.591 66.518 0.073 1 1 845 . 14 1 1 A 125 125 VAL CB C 210 31.836 31.567 0.269 1 1 848 . 14 1 1 A 125 125 VAL N N 210 121.312 119.894 1.418 1 1 849 . 14 1 1 A 126 126 GLU H H 211 8.153 7.825 0.328 1 1 850 . 14 1 1 A 126 126 GLU HA H 211 3.622 3.835 -0.213 1 1 855 . 14 1 1 A 126 126 GLU CA C 211 60.997 59.986 1.011 1 1 856 . 14 1 1 A 126 126 GLU CB C 211 28.921 28.807 0.114 1 1 858 . 14 1 1 A 126 126 GLU N N 211 120.456 119.751 0.705 1 1 859 . 14 1 1 A 127 127 GLN H H 212 7.274 7.460 -0.186 1 1 862 . 14 1 1 A 127 127 GLN CA C 212 58.803 58.778 0.025 1 1 863 . 14 1 1 A 127 127 GLN N N 212 115.025 119.247 -4.222 1 1 865 . 14 1 1 A 128 128 MET H H 213 8.324 7.803 0.521 1 1 866 . 14 1 1 A 128 128 MET HA H 213 4.146 4.114 0.032 1 1 872 . 14 1 1 A 128 128 MET CA C 213 59.976 58.493 1.483 1 1 873 . 14 1 1 A 128 128 MET CB C 213 31.911 32.728 -0.817 1 1 875 . 14 1 1 A 128 128 MET N N 213 119.344 118.874 0.470 1 1 876 . 14 1 1 A 129 129 CYS H H 214 9.219 8.194 1.025 1 1 877 . 14 1 1 A 129 129 CYS CA C 214 59.821 63.569 -3.748 1 1 878 . 14 1 1 A 129 129 CYS N N 214 118.992 117.461 1.531 1 1 879 . 14 1 1 A 130 130 ILE H H 215 8.340 7.529 0.811 1 1 880 . 14 1 1 A 130 130 ILE HA H 215 3.563 3.771 -0.208 1 1 890 . 14 1 1 A 130 130 ILE CA C 215 66.751 64.267 2.484 1 1 891 . 14 1 1 A 130 130 ILE CB C 215 37.814 37.575 0.239 1 1 895 . 14 1 1 A 130 130 ILE N N 215 123.750 121.614 2.136 1 1 896 . 14 1 1 A 131 131 THR H H 216 8.142 8.348 -0.206 1 1 897 . 14 1 1 A 131 131 THR HA H 216 3.940 3.898 0.042 1 1 902 . 14 1 1 A 131 131 THR CA C 216 66.898 66.799 0.099 1 1 903 . 14 1 1 A 131 131 THR CB C 216 69.608 68.636 0.972 1 1 905 . 14 1 1 A 131 131 THR N N 216 118.528 117.072 1.456 1 1 906 . 14 1 1 A 132 132 GLN H H 217 8.687 7.895 0.792 1 1 907 . 14 1 1 A 132 132 GLN HA H 217 3.688 3.970 -0.282 1 1 914 . 14 1 1 A 132 132 GLN CA C 217 58.527 59.257 -0.730 1 1 915 . 14 1 1 A 132 132 GLN CB C 217 28.353 28.256 0.097 1 1 917 . 14 1 1 A 132 132 GLN N N 217 121.765 121.529 0.236 1 1 919 . 14 1 1 A 133 133 TYR HA H 218 4.532 4.219 0.313 1 1 926 . 14 1 1 A 133 133 TYR CA C 218 55.867 59.228 -3.361 1 1 927 . 14 1 1 A 133 133 TYR CB C 218 37.912 37.830 0.082 1 1 930 . 14 1 1 A 134 134 GLU H H 219 8.293 8.089 0.204 1 1 931 . 14 1 1 A 134 134 GLU HA H 219 3.689 4.213 -0.524 1 1 936 . 14 1 1 A 134 134 GLU CA C 219 59.268 59.391 -0.123 1 1 937 . 14 1 1 A 134 134 GLU CB C 219 28.324 29.074 -0.750 1 1 939 . 14 1 1 A 134 134 GLU N N 219 120.400 119.563 0.837 1 1 940 . 14 1 1 A 135 135 ARG H H 220 7.887 7.981 -0.094 1 1 941 . 14 1 1 A 135 135 ARG HA H 220 3.981 4.049 -0.068 1 1 949 . 14 1 1 A 135 135 ARG CA C 220 59.266 59.468 -0.202 1 1 950 . 14 1 1 A 135 135 ARG CB C 220 30.337 29.759 0.578 1 1 953 . 14 1 1 A 135 135 ARG N N 220 118.589 121.303 -2.714 1 1 955 . 14 1 1 A 137 137 SER HA H 222 3.954 4.133 -0.179 1 1 958 . 14 1 1 A 137 137 SER CA C 222 60.572 61.813 -1.241 1 1 959 . 14 1 1 A 137 137 SER CB C 222 62.761 62.779 -0.018 1 1 960 . 14 1 1 A 138 138 GLN H H 223 7.624 7.589 0.035 1 1 961 . 14 1 1 A 138 138 GLN HA H 223 4.153 4.151 0.002 1 1 968 . 14 1 1 A 138 138 GLN CA C 223 57.658 58.510 -0.852 1 1 969 . 14 1 1 A 138 138 GLN CB C 223 28.370 28.892 -0.522 1 1 971 . 14 1 1 A 138 138 GLN N N 223 120.575 121.674 -1.099 1 1 973 . 14 1 1 A 139 139 ALA H H 224 7.627 7.655 -0.028 1 1 974 . 14 1 1 A 139 139 ALA HA H 224 4.156 4.204 -0.048 1 1 978 . 14 1 1 A 139 139 ALA CA C 224 54.017 55.107 -1.090 1 1 979 . 14 1 1 A 139 139 ALA CB C 224 18.645 18.775 -0.130 1 1 980 . 14 1 1 A 139 139 ALA N N 224 121.263 122.324 -1.061 1 1 981 . 14 1 1 A 140 140 TYR H H 225 8.048 8.167 -0.119 1 1 982 . 14 1 1 A 140 140 TYR HA H 225 4.204 4.318 -0.114 1 1 989 . 14 1 1 A 140 140 TYR CA C 225 59.890 61.648 -1.758 1 1 990 . 14 1 1 A 140 140 TYR CB C 225 38.994 38.386 0.608 1 1 993 . 14 1 1 A 140 140 TYR N N 225 118.980 119.891 -0.911 1 1 994 . 14 1 1 A 141 141 TYR H H 226 7.948 8.425 -0.477 1 1 995 . 14 1 1 A 141 141 TYR HA H 226 4.375 4.190 0.185 1 1 1002 . 14 1 1 A 141 141 TYR CA C 226 59.036 61.206 -2.170 1 1 1003 . 14 1 1 A 141 141 TYR CB C 226 38.060 38.570 -0.510 1 1 1006 . 14 1 1 A 141 141 TYR N N 226 118.596 121.384 -2.788 1 1 1007 . 14 1 1 A 142 142 GLN H H 227 7.941 7.865 0.076 1 1 1008 . 14 1 1 A 142 142 GLN HA H 227 4.240 4.311 -0.071 1 1 1015 . 14 1 1 A 142 142 GLN CA C 227 56.346 57.320 -0.974 1 1 1016 . 14 1 1 A 142 142 GLN CB C 227 28.912 28.259 0.653 1 1 1018 . 14 1 1 A 142 142 GLN N N 227 119.883 118.915 0.968 1 1 1020 . 14 1 1 A 143 143 ARG H H 228 7.966 8.464 -0.498 1 1 1021 . 14 1 1 A 143 143 ARG HA H 228 4.244 4.384 -0.140 1 1 1029 . 14 1 1 A 143 143 ARG CA C 228 56.719 55.499 1.220 1 1 1030 . 14 1 1 A 143 143 ARG CB C 228 30.731 30.277 0.454 1 1 1033 . 14 1 1 A 143 143 ARG N N 228 120.871 121.459 -0.588 1 1 1035 . 14 1 1 A 144 144 GLY H H 229 8.247 7.553 0.694 1 1 1036 . 14 1 1 A 144 144 GLY HA2 H 229 3.992 3.909 0.083 1 1 1037 . 14 1 1 A 144 144 GLY HA3 H 229 3.992 3.987 0.005 1 1 1038 . 14 1 1 A 144 144 GLY CA C 229 45.359 44.585 0.774 1 1 1039 . 14 1 1 A 144 144 GLY N N 229 109.072 107.331 1.741 1 1 1040 . 14 1 1 A 145 145 SER H H 230 8.139 8.607 -0.468 1 1 1041 . 14 1 1 A 145 145 SER HA H 230 4.506 4.557 -0.051 1 1 1044 . 14 1 1 A 145 145 SER CA C 230 58.123 59.832 -1.709 1 1 1045 . 14 1 1 A 145 145 SER CB C 230 63.878 64.417 -0.539 1 1 1046 . 14 1 1 A 145 145 SER N N 230 115.684 116.834 -1.150 1 1 16 . 15 1 1 A 41 41 GLY H H 126 8.484 8.708 -0.224 1 1 17 . 15 1 1 A 41 41 GLY HA2 H 126 3.861 4.090 -0.229 1 1 18 . 15 1 1 A 41 41 GLY HA3 H 126 3.920 4.110 -0.190 1 1 19 . 15 1 1 A 41 41 GLY CA C 126 46.260 46.267 -0.007 1 1 20 . 15 1 1 A 41 41 GLY N N 126 109.470 109.163 0.307 1 1 21 . 15 1 1 A 42 42 GLY H H 127 8.326 8.100 0.226 1 1 22 . 15 1 1 A 42 42 GLY HA2 H 127 3.749 3.695 0.054 1 1 23 . 15 1 1 A 42 42 GLY HA3 H 127 3.900 3.859 0.041 1 1 24 . 15 1 1 A 42 42 GLY CA C 127 45.226 46.449 -1.223 1 1 25 . 15 1 1 A 42 42 GLY N N 127 109.020 105.654 3.366 1 1 26 . 15 1 1 A 43 43 TYR H H 128 7.692 8.220 -0.528 1 1 27 . 15 1 1 A 43 43 TYR HA H 128 4.675 5.129 -0.454 1 1 34 . 15 1 1 A 43 43 TYR CA C 128 57.271 57.181 0.090 1 1 35 . 15 1 1 A 43 43 TYR CB C 128 40.257 37.942 2.315 1 1 38 . 15 1 1 A 43 43 TYR N N 128 117.301 120.032 -2.731 1 1 39 . 15 1 1 A 44 44 VAL H H 129 8.974 8.882 0.092 1 1 40 . 15 1 1 A 44 44 VAL HA H 129 4.344 4.509 -0.165 1 1 48 . 15 1 1 A 44 44 VAL CA C 129 59.555 61.863 -2.308 1 1 49 . 15 1 1 A 44 44 VAL CB C 129 34.728 33.641 1.087 1 1 52 . 15 1 1 A 44 44 VAL N N 129 118.589 125.522 -6.933 1 1 53 . 15 1 1 A 45 45 LEU H H 130 8.029 8.522 -0.493 1 1 62 . 15 1 1 A 45 45 LEU N N 130 123.350 129.944 -6.594 1 1 63 . 15 1 1 A 46 46 GLY H H 131 9.278 8.521 0.757 1 1 64 . 15 1 1 A 46 46 GLY CA C 131 44.842 44.981 -0.139 1 1 65 . 15 1 1 A 46 46 GLY N N 131 114.623 112.023 2.600 1 1 66 . 15 1 1 A 47 47 SER H H 132 8.315 8.794 -0.479 1 1 67 . 15 1 1 A 47 47 SER HA H 132 4.438 4.491 -0.053 1 1 70 . 15 1 1 A 47 47 SER CA C 132 58.520 57.964 0.556 1 1 71 . 15 1 1 A 47 47 SER CB C 132 64.166 64.065 0.101 1 1 72 . 15 1 1 A 47 47 SER N N 132 113.038 120.811 -7.773 1 1 73 . 15 1 1 A 48 48 ALA H H 133 8.736 8.351 0.385 1 1 74 . 15 1 1 A 48 48 ALA HA H 133 4.425 4.222 0.203 1 1 78 . 15 1 1 A 48 48 ALA CA C 133 53.090 52.164 0.926 1 1 79 . 15 1 1 A 48 48 ALA CB C 133 18.465 19.693 -1.228 1 1 80 . 15 1 1 A 48 48 ALA N N 133 125.270 125.233 0.037 1 1 81 . 15 1 1 A 49 49 MET H H 134 8.758 8.688 0.070 1 1 82 . 15 1 1 A 49 49 MET HA H 134 4.754 4.949 -0.195 1 1 90 . 15 1 1 A 49 49 MET CA C 134 53.972 53.739 0.233 1 1 91 . 15 1 1 A 49 49 MET CB C 134 37.222 35.772 1.450 1 1 94 . 15 1 1 A 49 49 MET N N 134 120.911 113.982 6.929 1 1 95 . 15 1 1 A 50 50 SER H H 135 8.430 8.784 -0.354 1 1 96 . 15 1 1 A 50 50 SER HA H 135 4.356 4.709 -0.353 1 1 99 . 15 1 1 A 50 50 SER CA C 135 58.630 56.682 1.948 1 1 100 . 15 1 1 A 50 50 SER CB C 135 63.575 64.638 -1.063 1 1 101 . 15 1 1 A 50 50 SER N N 135 116.162 115.341 0.821 1 1 102 . 15 1 1 A 51 51 ARG H H 136 8.646 8.842 -0.196 1 1 103 . 15 1 1 A 51 51 ARG HA H 136 4.434 3.871 0.563 1 1 111 . 15 1 1 A 51 51 ARG CA C 136 54.863 56.446 -1.583 1 1 112 . 15 1 1 A 51 51 ARG CB C 136 30.519 28.257 2.262 1 1 115 . 15 1 1 A 51 51 ARG N N 136 126.460 124.000 2.460 1 1 117 . 15 1 1 A 52 52 PRO HA H 137 4.413 4.318 0.095 1 1 124 . 15 1 1 A 52 52 PRO CA C 137 62.198 65.298 -3.100 1 1 125 . 15 1 1 A 52 52 PRO CB C 137 32.165 31.485 0.680 1 1 128 . 15 1 1 A 53 53 ILE H H 138 8.647 7.589 1.058 1 1 129 . 15 1 1 A 53 53 ILE HA H 138 4.160 4.047 0.113 1 1 139 . 15 1 1 A 53 53 ILE CA C 138 60.851 61.251 -0.400 1 1 140 . 15 1 1 A 53 53 ILE CB C 138 36.101 37.889 -1.788 1 1 144 . 15 1 1 A 53 53 ILE N N 138 122.534 117.628 4.906 1 1 145 . 15 1 1 A 54 54 ILE H H 139 6.485 8.789 -2.304 1 1 146 . 15 1 1 A 54 54 ILE HA H 139 3.926 4.742 -0.816 1 1 156 . 15 1 1 A 54 54 ILE CA C 139 58.665 58.461 0.204 1 1 157 . 15 1 1 A 54 54 ILE CB C 139 39.251 40.576 -1.325 1 1 161 . 15 1 1 A 54 54 ILE N N 139 126.733 129.144 -2.411 1 1 162 . 15 1 1 A 55 55 HIS H H 140 8.249 8.192 0.057 1 1 163 . 15 1 1 A 55 55 HIS HA H 140 4.935 4.287 0.648 1 1 167 . 15 1 1 A 55 55 HIS CA C 140 54.209 56.025 -1.816 1 1 168 . 15 1 1 A 55 55 HIS CB C 140 29.326 29.868 -0.542 1 1 170 . 15 1 1 A 55 55 HIS N N 140 122.048 124.516 -2.468 1 1 171 . 15 1 1 A 56 56 PHE H H 141 10.205 8.343 1.862 1 1 172 . 15 1 1 A 56 56 PHE HA H 141 4.360 3.825 0.535 1 1 175 . 15 1 1 A 56 56 PHE CA C 141 59.367 60.821 -1.454 1 1 176 . 15 1 1 A 56 56 PHE CB C 141 41.594 39.061 2.533 1 1 177 . 15 1 1 A 56 56 PHE N N 141 124.145 123.496 0.649 1 1 178 . 15 1 1 A 57 57 GLY H H 142 9.008 8.665 0.343 1 1 179 . 15 1 1 A 57 57 GLY HA2 H 142 3.835 4.056 -0.221 1 1 180 . 15 1 1 A 57 57 GLY HA3 H 142 4.168 4.060 0.108 1 1 181 . 15 1 1 A 57 57 GLY CA C 142 45.777 45.711 0.066 1 1 182 . 15 1 1 A 57 57 GLY N N 142 108.268 108.295 -0.027 1 1 183 . 15 1 1 A 58 58 SER H H 143 7.327 7.880 -0.553 1 1 184 . 15 1 1 A 58 58 SER HA H 143 4.820 4.782 0.038 1 1 187 . 15 1 1 A 58 58 SER CA C 143 56.405 57.133 -0.728 1 1 188 . 15 1 1 A 58 58 SER CB C 143 66.034 65.429 0.605 1 1 189 . 15 1 1 A 58 58 SER N N 143 111.827 115.182 -3.355 1 1 190 . 15 1 1 A 59 59 ASP H H 144 9.051 8.911 0.140 1 1 191 . 15 1 1 A 59 59 ASP HA H 144 4.502 4.100 0.402 1 1 194 . 15 1 1 A 59 59 ASP CA C 144 57.676 57.343 0.333 1 1 195 . 15 1 1 A 59 59 ASP CB C 144 40.505 40.230 0.275 1 1 196 . 15 1 1 A 59 59 ASP N N 144 124.541 126.702 -2.161 1 1 197 . 15 1 1 A 60 60 TYR H H 145 8.571 7.856 0.715 1 1 198 . 15 1 1 A 60 60 TYR HA H 145 4.197 4.277 -0.080 1 1 205 . 15 1 1 A 60 60 TYR CA C 145 61.232 61.705 -0.473 1 1 206 . 15 1 1 A 60 60 TYR CB C 145 37.912 37.900 0.012 1 1 209 . 15 1 1 A 60 60 TYR N N 145 118.914 118.741 0.173 1 1 210 . 15 1 1 A 61 61 GLU H H 146 7.737 8.462 -0.725 1 1 211 . 15 1 1 A 61 61 GLU HA H 146 3.590 4.208 -0.618 1 1 216 . 15 1 1 A 61 61 GLU CA C 146 59.607 59.511 0.096 1 1 217 . 15 1 1 A 61 61 GLU CB C 146 30.059 29.005 1.054 1 1 219 . 15 1 1 A 61 61 GLU N N 146 118.985 119.475 -0.490 1 1 220 . 15 1 1 A 62 62 ASP H H 147 8.213 8.641 -0.428 1 1 221 . 15 1 1 A 62 62 ASP HA H 147 4.666 4.594 0.072 1 1 224 . 15 1 1 A 62 62 ASP CA C 147 58.292 57.431 0.861 1 1 225 . 15 1 1 A 62 62 ASP CB C 147 40.171 41.780 -1.609 1 1 226 . 15 1 1 A 62 62 ASP N N 147 119.785 119.924 -0.139 1 1 227 . 15 1 1 A 63 63 ARG H H 148 8.229 7.968 0.261 1 1 228 . 15 1 1 A 63 63 ARG HA H 148 4.016 4.065 -0.049 1 1 236 . 15 1 1 A 63 63 ARG CA C 148 59.611 59.749 -0.138 1 1 237 . 15 1 1 A 63 63 ARG CB C 148 30.059 30.055 0.004 1 1 240 . 15 1 1 A 63 63 ARG N N 148 120.339 118.939 1.400 1 1 242 . 15 1 1 A 64 64 TYR H H 149 8.340 7.869 0.471 1 1 243 . 15 1 1 A 64 64 TYR HA H 149 3.829 4.302 -0.473 1 1 250 . 15 1 1 A 64 64 TYR CA C 149 61.991 60.423 1.568 1 1 251 . 15 1 1 A 64 64 TYR CB C 149 38.417 38.179 0.238 1 1 254 . 15 1 1 A 64 64 TYR N N 149 121.093 120.825 0.268 1 1 255 . 15 1 1 A 65 65 TYR H H 150 8.979 8.498 0.481 1 1 256 . 15 1 1 A 65 65 TYR HA H 150 4.132 4.514 -0.382 1 1 263 . 15 1 1 A 65 65 TYR CA C 150 62.691 61.204 1.487 1 1 264 . 15 1 1 A 65 65 TYR CB C 150 38.025 38.906 -0.881 1 1 267 . 15 1 1 A 65 65 TYR N N 150 120.575 120.869 -0.294 1 1 268 . 15 1 1 A 66 66 ARG H H 151 7.997 7.823 0.174 1 1 269 . 15 1 1 A 66 66 ARG HA H 151 3.925 3.863 0.062 1 1 277 . 15 1 1 A 66 66 ARG CA C 151 60.050 58.994 1.056 1 1 278 . 15 1 1 A 66 66 ARG CB C 151 29.901 29.520 0.381 1 1 281 . 15 1 1 A 66 66 ARG N N 151 117.799 119.458 -1.659 1 1 283 . 15 1 1 A 67 67 GLU H H 152 8.076 8.088 -0.012 1 1 284 . 15 1 1 A 67 67 GLU HA H 152 4.082 3.996 0.086 1 1 289 . 15 1 1 A 67 67 GLU CA C 152 58.125 58.252 -0.127 1 1 290 . 15 1 1 A 67 67 GLU CB C 152 29.743 29.628 0.115 1 1 292 . 15 1 1 A 67 67 GLU N N 152 116.601 117.227 -0.626 1 1 293 . 15 1 1 A 68 68 ASN H H 153 7.621 7.663 -0.042 1 1 294 . 15 1 1 A 68 68 ASN HA H 153 4.321 4.534 -0.213 1 1 299 . 15 1 1 A 68 68 ASN CA C 153 54.958 55.683 -0.725 1 1 300 . 15 1 1 A 68 68 ASN CB C 153 41.041 38.629 2.412 1 1 301 . 15 1 1 A 68 68 ASN N N 153 114.623 118.234 -3.611 1 1 303 . 15 1 1 A 69 69 MET H H 154 8.105 8.303 -0.198 1 1 304 . 15 1 1 A 69 69 MET HA H 154 3.458 3.969 -0.511 1 1 312 . 15 1 1 A 69 69 MET CA C 154 59.104 57.885 1.219 1 1 313 . 15 1 1 A 69 69 MET CB C 154 30.533 31.892 -1.359 1 1 316 . 15 1 1 A 69 69 MET N N 154 119.633 117.860 1.773 1 1 317 . 15 1 1 A 70 70 HIS H H 155 8.070 7.811 0.259 1 1 319 . 15 1 1 A 70 70 HIS CA C 155 57.650 59.037 -1.387 1 1 320 . 15 1 1 A 70 70 HIS CB C 155 27.591 30.201 -2.610 1 1 322 . 15 1 1 A 70 70 HIS N N 155 115.018 117.737 -2.719 1 1 323 . 15 1 1 A 71 71 ARG H H 156 7.618 7.910 -0.292 1 1 325 . 15 1 1 A 71 71 ARG CA C 156 56.278 55.238 1.040 1 1 326 . 15 1 1 A 71 71 ARG CB C 156 30.770 30.482 0.288 1 1 329 . 15 1 1 A 71 71 ARG N N 156 118.197 115.638 2.559 1 1 331 . 15 1 1 A 72 72 TYR H H 157 7.473 7.892 -0.419 1 1 332 . 15 1 1 A 72 72 TYR HA H 157 5.034 4.594 0.440 1 1 339 . 15 1 1 A 72 72 TYR CA C 157 52.768 56.586 -3.818 1 1 340 . 15 1 1 A 72 72 TYR CB C 157 35.150 38.432 -3.282 1 1 343 . 15 1 1 A 72 72 TYR N N 157 120.873 118.912 1.961 1 1 344 . 15 1 1 A 73 73 PRO HA H 158 4.425 4.497 -0.072 1 1 351 . 15 1 1 A 73 73 PRO CA C 158 63.737 62.760 0.977 1 1 352 . 15 1 1 A 73 73 PRO CB C 158 32.071 31.928 0.143 1 1 355 . 15 1 1 A 74 74 ASN H H 159 8.562 8.697 -0.135 1 1 356 . 15 1 1 A 74 74 ASN HA H 159 4.708 4.631 0.077 1 1 361 . 15 1 1 A 74 74 ASN CA C 159 51.965 53.739 -1.774 1 1 362 . 15 1 1 A 74 74 ASN CB C 159 37.898 40.691 -2.793 1 1 363 . 15 1 1 A 74 74 ASN N N 159 116.213 120.317 -4.104 1 1 365 . 15 1 1 A 75 75 GLN H H 160 7.302 7.705 -0.403 1 1 366 . 15 1 1 A 75 75 GLN HA H 160 4.479 4.767 -0.288 1 1 371 . 15 1 1 A 75 75 GLN CA C 160 54.184 54.278 -0.094 1 1 372 . 15 1 1 A 75 75 GLN CB C 160 34.167 31.462 2.705 1 1 373 . 15 1 1 A 75 75 GLN N N 160 114.122 117.329 -3.207 1 1 375 . 15 1 1 A 76 76 VAL H H 161 8.635 8.925 -0.290 1 1 376 . 15 1 1 A 76 76 VAL HA H 161 4.916 5.067 -0.151 1 1 384 . 15 1 1 A 76 76 VAL CA C 161 58.557 59.675 -1.118 1 1 385 . 15 1 1 A 76 76 VAL CB C 161 33.635 35.064 -1.429 1 1 388 . 15 1 1 A 76 76 VAL N N 161 112.903 117.768 -4.865 1 1 389 . 15 1 1 A 77 77 TYR H H 162 8.554 8.501 0.053 1 1 390 . 15 1 1 A 77 77 TYR HA H 162 5.440 5.136 0.304 1 1 397 . 15 1 1 A 77 77 TYR CA C 162 57.057 56.749 0.308 1 1 398 . 15 1 1 A 77 77 TYR CB C 162 42.147 42.340 -0.193 1 1 401 . 15 1 1 A 77 77 TYR N N 162 120.972 120.563 0.409 1 1 402 . 15 1 1 A 78 78 TYR H H 163 8.686 9.112 -0.426 1 1 403 . 15 1 1 A 78 78 TYR HA H 163 4.797 5.336 -0.539 1 1 410 . 15 1 1 A 78 78 TYR CA C 163 55.484 56.414 -0.930 1 1 413 . 15 1 1 A 78 78 TYR N N 163 111.059 124.597 -13.538 1 1 429 . 15 1 1 A 86 86 ASN HA H 171 4.733 4.756 -0.023 1 1 434 . 15 1 1 A 86 86 ASN CA C 171 52.388 53.570 -1.182 1 1 435 . 15 1 1 A 86 86 ASN CB C 171 39.935 39.676 0.259 1 1 437 . 15 1 1 A 87 87 GLN H H 172 8.740 8.876 -0.136 1 1 440 . 15 1 1 A 87 87 GLN CA C 172 59.906 58.543 1.363 1 1 441 . 15 1 1 A 87 87 GLN CB C 172 29.065 28.104 0.961 1 1 443 . 15 1 1 A 87 87 GLN N N 172 121.279 121.067 0.212 1 1 445 . 15 1 1 A 88 88 ASN H H 173 8.427 8.196 0.231 1 1 446 . 15 1 1 A 88 88 ASN HA H 173 4.255 4.451 -0.196 1 1 451 . 15 1 1 A 88 88 ASN CA C 173 56.396 55.880 0.516 1 1 452 . 15 1 1 A 88 88 ASN CB C 173 37.912 37.987 -0.075 1 1 453 . 15 1 1 A 88 88 ASN N N 173 116.210 118.587 -2.377 1 1 455 . 15 1 1 A 89 89 ASN H H 174 8.542 7.820 0.722 1 1 456 . 15 1 1 A 89 89 ASN HA H 174 4.509 4.388 0.121 1 1 461 . 15 1 1 A 89 89 ASN CA C 174 56.013 56.135 -0.122 1 1 462 . 15 1 1 A 89 89 ASN CB C 174 38.359 38.623 -0.264 1 1 463 . 15 1 1 A 89 89 ASN N N 174 118.573 117.678 0.895 1 1 465 . 15 1 1 A 90 90 PHE H H 175 8.113 7.768 0.345 1 1 466 . 15 1 1 A 90 90 PHE CA C 175 61.432 61.408 0.024 1 1 467 . 15 1 1 A 90 90 PHE N N 175 120.437 122.819 -2.382 1 1 468 . 15 1 1 A 91 91 VAL H H 176 9.215 7.822 1.393 1 1 469 . 15 1 1 A 91 91 VAL HA H 176 3.608 3.650 -0.042 1 1 477 . 15 1 1 A 91 91 VAL CA C 176 67.888 66.393 1.495 1 1 478 . 15 1 1 A 91 91 VAL CB C 176 32.042 31.521 0.521 1 1 480 . 15 1 1 A 91 91 VAL N N 176 120.071 119.214 0.857 1 1 481 . 15 1 1 A 92 92 HIS H H 177 8.497 7.800 0.697 1 1 482 . 15 1 1 A 92 92 HIS HA H 177 4.353 4.282 0.071 1 1 485 . 15 1 1 A 92 92 HIS CA C 177 59.251 60.060 -0.809 1 1 486 . 15 1 1 A 92 92 HIS CB C 177 28.104 29.625 -1.521 1 1 487 . 15 1 1 A 92 92 HIS N N 177 117.399 118.679 -1.280 1 1 488 . 15 1 1 A 93 93 ASN H H 178 7.860 8.317 -0.457 1 1 489 . 15 1 1 A 93 93 ASN HA H 178 4.521 4.395 0.126 1 1 494 . 15 1 1 A 93 93 ASN CA C 178 56.244 56.324 -0.080 1 1 495 . 15 1 1 A 93 93 ASN CB C 178 37.934 37.712 0.222 1 1 496 . 15 1 1 A 93 93 ASN N N 178 116.474 117.303 -0.829 1 1 498 . 15 1 1 A 94 94 CYS H H 179 8.133 8.099 0.034 1 1 499 . 15 1 1 A 94 94 CYS CA C 179 58.595 63.127 -4.532 1 1 500 . 15 1 1 A 94 94 CYS CB C 179 40.911 27.419 13.492 1 1 501 . 15 1 1 A 94 94 CYS N N 179 120.418 118.670 1.748 1 1 502 . 15 1 1 A 95 95 VAL H H 180 9.280 7.960 1.320 1 1 503 . 15 1 1 A 95 95 VAL HA H 180 3.654 3.501 0.153 1 1 511 . 15 1 1 A 95 95 VAL CA C 180 66.400 66.895 -0.495 1 1 512 . 15 1 1 A 95 95 VAL CB C 180 31.912 31.569 0.343 1 1 515 . 15 1 1 A 95 95 VAL N N 180 125.212 121.622 3.590 1 1 516 . 15 1 1 A 96 96 ASN H H 181 7.696 8.279 -0.583 1 1 517 . 15 1 1 A 96 96 ASN HA H 181 4.321 4.446 -0.125 1 1 522 . 15 1 1 A 96 96 ASN CA C 181 56.419 56.442 -0.023 1 1 523 . 15 1 1 A 96 96 ASN CB C 181 38.654 38.828 -0.174 1 1 524 . 15 1 1 A 96 96 ASN N N 181 115.816 118.493 -2.677 1 1 526 . 15 1 1 A 97 97 ILE H H 182 8.385 7.438 0.947 1 1 527 . 15 1 1 A 97 97 ILE HA H 182 3.726 3.586 0.140 1 1 537 . 15 1 1 A 97 97 ILE CA C 182 62.446 65.114 -2.668 1 1 538 . 15 1 1 A 97 97 ILE CB C 182 36.464 37.315 -0.851 1 1 542 . 15 1 1 A 97 97 ILE N N 182 118.191 120.091 -1.900 1 1 543 . 15 1 1 A 98 98 THR H H 183 8.157 7.520 0.637 1 1 544 . 15 1 1 A 98 98 THR HA H 183 4.078 4.176 -0.098 1 1 549 . 15 1 1 A 98 98 THR CA C 183 68.807 66.825 1.982 1 1 550 . 15 1 1 A 98 98 THR CB C 183 68.239 68.599 -0.360 1 1 552 . 15 1 1 A 98 98 THR N N 183 117.797 117.062 0.735 1 1 553 . 15 1 1 A 99 99 ILE H H 184 8.528 7.549 0.979 1 1 554 . 15 1 1 A 99 99 ILE HA H 184 3.727 3.517 0.210 1 1 564 . 15 1 1 A 99 99 ILE CA C 184 65.621 65.457 0.164 1 1 565 . 15 1 1 A 99 99 ILE CB C 184 36.531 37.335 -0.804 1 1 569 . 15 1 1 A 99 99 ILE N N 184 120.576 121.356 -0.780 1 1 570 . 15 1 1 A 100 100 LYS H H 185 7.953 7.871 0.082 1 1 571 . 15 1 1 A 100 100 LYS HA H 185 4.068 3.938 0.130 1 1 580 . 15 1 1 A 100 100 LYS CA C 185 59.636 59.844 -0.208 1 1 581 . 15 1 1 A 100 100 LYS CB C 185 31.989 32.426 -0.437 1 1 585 . 15 1 1 A 100 100 LYS N N 185 122.562 121.702 0.860 1 1 586 . 15 1 1 A 101 101 GLN H H 186 8.376 7.802 0.574 1 1 589 . 15 1 1 A 101 101 GLN CA C 186 57.741 58.832 -1.091 1 1 590 . 15 1 1 A 101 101 GLN N N 186 116.213 118.330 -2.117 1 1 592 . 15 1 1 A 102 102 HIS H H 187 8.199 7.965 0.234 1 1 593 . 15 1 1 A 102 102 HIS HA H 187 4.593 4.278 0.315 1 1 596 . 15 1 1 A 102 102 HIS CA C 187 59.062 59.444 -0.382 1 1 597 . 15 1 1 A 102 102 HIS CB C 187 30.384 29.868 0.516 1 1 598 . 15 1 1 A 102 102 HIS N N 187 118.199 121.195 -2.996 1 1 599 . 15 1 1 A 103 103 THR H H 188 8.245 8.336 -0.091 1 1 600 . 15 1 1 A 103 103 THR HA H 188 4.184 4.207 -0.023 1 1 605 . 15 1 1 A 103 103 THR CA C 188 65.017 65.066 -0.049 1 1 606 . 15 1 1 A 103 103 THR CB C 188 69.167 68.903 0.264 1 1 608 . 15 1 1 A 103 103 THR N N 188 113.748 113.857 -0.109 1 1 609 . 15 1 1 A 104 104 VAL H H 189 8.013 8.119 -0.106 1 1 610 . 15 1 1 A 104 104 VAL HA H 189 4.004 3.541 0.463 1 1 618 . 15 1 1 A 104 104 VAL CA C 189 65.151 66.713 -1.562 1 1 619 . 15 1 1 A 104 104 VAL CB C 189 31.743 31.683 0.060 1 1 622 . 15 1 1 A 104 104 VAL N N 189 122.142 120.914 1.228 1 1 623 . 15 1 1 A 105 105 THR H H 190 8.092 8.057 0.035 1 1 624 . 15 1 1 A 105 105 THR HA H 190 4.250 3.931 0.319 1 1 629 . 15 1 1 A 105 105 THR CA C 190 64.314 65.601 -1.287 1 1 630 . 15 1 1 A 105 105 THR CB C 190 69.159 68.097 1.062 1 1 632 . 15 1 1 A 105 105 THR N N 190 115.022 115.101 -0.079 1 1 633 . 15 1 1 A 106 106 THR H H 191 8.017 7.802 0.215 1 1 634 . 15 1 1 A 106 106 THR HA H 191 4.214 3.977 0.237 1 1 639 . 15 1 1 A 106 106 THR CA C 191 63.874 65.738 -1.864 1 1 640 . 15 1 1 A 106 106 THR CB C 191 69.009 68.474 0.535 1 1 642 . 15 1 1 A 106 106 THR N N 191 114.622 116.568 -1.946 1 1 643 . 15 1 1 A 107 107 THR H H 192 8.194 8.023 0.171 1 1 644 . 15 1 1 A 107 107 THR CA C 192 64.201 65.981 -1.780 1 1 645 . 15 1 1 A 107 107 THR CB C 192 69.159 68.412 0.747 1 1 647 . 15 1 1 A 107 107 THR N N 192 116.611 117.669 -1.058 1 1 648 . 15 1 1 A 108 108 THR H H 193 7.932 7.994 -0.062 1 1 649 . 15 1 1 A 108 108 THR CA C 193 63.871 66.424 -2.553 1 1 650 . 15 1 1 A 108 108 THR CB C 193 69.002 68.713 0.289 1 1 652 . 15 1 1 A 108 108 THR N N 193 116.096 117.273 -1.177 1 1 653 . 15 1 1 A 109 109 LYS H H 194 7.821 7.639 0.182 1 1 654 . 15 1 1 A 109 109 LYS HA H 194 4.364 4.349 0.015 1 1 663 . 15 1 1 A 109 109 LYS CA C 194 56.285 56.333 -0.048 1 1 664 . 15 1 1 A 109 109 LYS CB C 194 32.636 33.441 -0.805 1 1 668 . 15 1 1 A 109 109 LYS N N 194 120.975 118.856 2.119 1 1 669 . 15 1 1 A 110 110 GLY H H 195 8.109 7.776 0.333 1 1 670 . 15 1 1 A 110 110 GLY HA2 H 195 3.858 3.906 -0.048 1 1 671 . 15 1 1 A 110 110 GLY HA3 H 195 4.083 3.908 0.175 1 1 672 . 15 1 1 A 110 110 GLY CA C 195 45.511 46.629 -1.118 1 1 673 . 15 1 1 A 110 110 GLY N N 195 108.675 108.330 0.345 1 1 674 . 15 1 1 A 111 111 GLU H H 196 7.706 7.554 0.152 1 1 675 . 15 1 1 A 111 111 GLU HA H 196 4.258 4.918 -0.660 1 1 680 . 15 1 1 A 111 111 GLU CA C 196 55.837 54.531 1.306 1 1 681 . 15 1 1 A 111 111 GLU CB C 196 30.673 33.339 -2.666 1 1 683 . 15 1 1 A 111 111 GLU N N 196 120.028 118.970 1.058 1 1 684 . 15 1 1 A 112 112 ASN H H 197 8.460 8.555 -0.095 1 1 685 . 15 1 1 A 112 112 ASN HA H 197 4.668 5.371 -0.703 1 1 690 . 15 1 1 A 112 112 ASN CA C 197 52.923 51.795 1.128 1 1 691 . 15 1 1 A 112 112 ASN CB C 197 40.491 42.124 -1.633 1 1 692 . 15 1 1 A 112 112 ASN N N 197 119.716 117.934 1.782 1 1 694 . 15 1 1 A 113 113 PHE H H 198 8.655 8.332 0.323 1 1 695 . 15 1 1 A 113 113 PHE HA H 198 5.262 5.757 -0.495 1 1 698 . 15 1 1 A 113 113 PHE CA C 198 56.640 55.360 1.280 1 1 699 . 15 1 1 A 113 113 PHE CB C 198 39.899 42.409 -2.510 1 1 700 . 15 1 1 A 113 113 PHE N N 198 122.046 117.802 4.244 1 1 701 . 15 1 1 A 114 114 THR H H 199 9.506 8.893 0.613 1 1 702 . 15 1 1 A 114 114 THR HA H 199 4.625 4.742 -0.117 1 1 707 . 15 1 1 A 114 114 THR CA C 199 60.305 60.534 -0.229 1 1 708 . 15 1 1 A 114 114 THR CB C 199 72.033 71.401 0.632 1 1 710 . 15 1 1 A 114 114 THR N N 199 116.124 114.095 2.029 1 1 711 . 15 1 1 A 115 115 GLU H H 200 9.120 9.071 0.049 1 1 712 . 15 1 1 A 115 115 GLU HA H 200 4.051 4.179 -0.128 1 1 717 . 15 1 1 A 115 115 GLU CA C 200 59.877 59.187 0.690 1 1 718 . 15 1 1 A 115 115 GLU CB C 200 28.787 29.108 -0.321 1 1 720 . 15 1 1 A 115 115 GLU N N 200 119.993 120.827 -0.834 1 1 721 . 15 1 1 A 116 116 THR H H 201 7.955 7.731 0.224 1 1 722 . 15 1 1 A 116 116 THR HA H 201 3.794 4.112 -0.318 1 1 727 . 15 1 1 A 116 116 THR CA C 201 66.734 66.425 0.309 1 1 728 . 15 1 1 A 116 116 THR CB C 201 68.624 69.191 -0.567 1 1 730 . 15 1 1 A 116 116 THR N N 201 116.160 116.579 -0.419 1 1 731 . 15 1 1 A 117 117 ASP H H 202 7.505 8.192 -0.687 1 1 732 . 15 1 1 A 117 117 ASP HA H 202 4.577 4.474 0.103 1 1 735 . 15 1 1 A 117 117 ASP CA C 202 58.057 57.627 0.430 1 1 736 . 15 1 1 A 117 117 ASP CB C 202 41.747 41.414 0.333 1 1 737 . 15 1 1 A 117 117 ASP N N 202 120.175 121.237 -1.062 1 1 738 . 15 1 1 A 118 118 VAL H H 203 8.236 8.572 -0.336 1 1 739 . 15 1 1 A 118 118 VAL HA H 203 3.324 3.836 -0.512 1 1 747 . 15 1 1 A 118 118 VAL CA C 203 67.799 65.044 2.755 1 1 748 . 15 1 1 A 118 118 VAL CB C 203 31.269 30.715 0.554 1 1 751 . 15 1 1 A 118 118 VAL N N 203 119.654 118.596 1.058 1 1 752 . 15 1 1 A 119 119 LYS H H 204 7.740 7.747 -0.007 1 1 753 . 15 1 1 A 119 119 LYS HA H 204 4.090 4.000 0.090 1 1 762 . 15 1 1 A 119 119 LYS CA C 204 59.368 59.519 -0.151 1 1 763 . 15 1 1 A 119 119 LYS CB C 204 32.165 31.901 0.264 1 1 767 . 15 1 1 A 119 119 LYS N N 204 119.288 122.320 -3.032 1 1 768 . 15 1 1 A 120 120 MET H H 205 8.235 7.916 0.319 1 1 769 . 15 1 1 A 120 120 MET HA H 205 4.158 4.239 -0.081 1 1 777 . 15 1 1 A 120 120 MET CA C 205 59.819 58.658 1.161 1 1 778 . 15 1 1 A 120 120 MET CB C 205 33.078 32.707 0.371 1 1 781 . 15 1 1 A 120 120 MET N N 205 118.767 119.389 -0.622 1 1 782 . 15 1 1 A 121 121 MET H H 206 8.755 8.017 0.738 1 1 783 . 15 1 1 A 121 121 MET HA H 206 3.580 4.212 -0.632 1 1 791 . 15 1 1 A 121 121 MET CA C 206 59.639 58.275 1.364 1 1 792 . 15 1 1 A 121 121 MET CB C 206 32.777 32.722 0.055 1 1 795 . 15 1 1 A 121 121 MET N N 206 118.428 118.641 -0.213 1 1 796 . 15 1 1 A 122 122 GLU H H 207 8.419 8.116 0.303 1 1 797 . 15 1 1 A 122 122 GLU HA H 207 3.688 3.899 -0.211 1 1 802 . 15 1 1 A 122 122 GLU CA C 207 60.390 59.407 0.983 1 1 803 . 15 1 1 A 122 122 GLU CB C 207 28.448 29.404 -0.956 1 1 805 . 15 1 1 A 122 122 GLU N N 207 118.469 118.375 0.094 1 1 806 . 15 1 1 A 123 123 ARG H H 208 7.344 7.442 -0.098 1 1 807 . 15 1 1 A 123 123 ARG HA H 208 4.163 4.128 0.035 1 1 815 . 15 1 1 A 123 123 ARG CA C 208 58.537 58.910 -0.373 1 1 816 . 15 1 1 A 123 123 ARG CB C 208 29.925 29.916 0.009 1 1 819 . 15 1 1 A 123 123 ARG N N 208 116.990 120.162 -3.172 1 1 821 . 15 1 1 A 124 124 VAL H H 209 8.299 7.528 0.771 1 1 822 . 15 1 1 A 124 124 VAL HA H 209 3.798 3.642 0.156 1 1 830 . 15 1 1 A 124 124 VAL CA C 209 65.995 66.039 -0.044 1 1 831 . 15 1 1 A 124 124 VAL CB C 209 32.075 31.499 0.576 1 1 834 . 15 1 1 A 124 124 VAL N N 209 119.301 120.018 -0.717 1 1 835 . 15 1 1 A 125 125 VAL H H 210 9.016 8.171 0.845 1 1 836 . 15 1 1 A 125 125 VAL HA H 210 3.643 3.551 0.092 1 1 844 . 15 1 1 A 125 125 VAL CA C 210 66.591 66.642 -0.051 1 1 845 . 15 1 1 A 125 125 VAL CB C 210 31.836 31.526 0.310 1 1 848 . 15 1 1 A 125 125 VAL N N 210 121.312 121.100 0.212 1 1 849 . 15 1 1 A 126 126 GLU H H 211 8.153 7.901 0.252 1 1 850 . 15 1 1 A 126 126 GLU HA H 211 3.622 4.088 -0.466 1 1 855 . 15 1 1 A 126 126 GLU CA C 211 60.997 59.342 1.655 1 1 856 . 15 1 1 A 126 126 GLU CB C 211 28.921 29.567 -0.646 1 1 858 . 15 1 1 A 126 126 GLU N N 211 120.456 119.527 0.929 1 1 859 . 15 1 1 A 127 127 GLN H H 212 7.274 8.096 -0.822 1 1 862 . 15 1 1 A 127 127 GLN CA C 212 58.803 59.021 -0.218 1 1 863 . 15 1 1 A 127 127 GLN N N 212 115.025 118.556 -3.531 1 1 865 . 15 1 1 A 128 128 MET H H 213 8.324 7.866 0.458 1 1 866 . 15 1 1 A 128 128 MET HA H 213 4.146 4.129 0.017 1 1 872 . 15 1 1 A 128 128 MET CA C 213 59.976 58.463 1.513 1 1 873 . 15 1 1 A 128 128 MET CB C 213 31.911 32.463 -0.552 1 1 875 . 15 1 1 A 128 128 MET N N 213 119.344 118.421 0.923 1 1 876 . 15 1 1 A 129 129 CYS H H 214 9.219 8.181 1.038 1 1 877 . 15 1 1 A 129 129 CYS CA C 214 59.821 63.610 -3.789 1 1 878 . 15 1 1 A 129 129 CYS N N 214 118.992 117.523 1.469 1 1 879 . 15 1 1 A 130 130 ILE H H 215 8.340 7.956 0.384 1 1 880 . 15 1 1 A 130 130 ILE HA H 215 3.563 3.887 -0.324 1 1 890 . 15 1 1 A 130 130 ILE CA C 215 66.751 64.208 2.543 1 1 891 . 15 1 1 A 130 130 ILE CB C 215 37.814 36.267 1.547 1 1 895 . 15 1 1 A 130 130 ILE N N 215 123.750 120.778 2.972 1 1 896 . 15 1 1 A 131 131 THR H H 216 8.142 8.067 0.075 1 1 897 . 15 1 1 A 131 131 THR HA H 216 3.940 3.900 0.040 1 1 902 . 15 1 1 A 131 131 THR CA C 216 66.898 66.985 -0.087 1 1 903 . 15 1 1 A 131 131 THR CB C 216 69.608 68.237 1.371 1 1 905 . 15 1 1 A 131 131 THR N N 216 118.528 118.361 0.167 1 1 906 . 15 1 1 A 132 132 GLN H H 217 8.687 7.954 0.733 1 1 907 . 15 1 1 A 132 132 GLN HA H 217 3.688 3.909 -0.221 1 1 914 . 15 1 1 A 132 132 GLN CA C 217 58.527 58.284 0.243 1 1 915 . 15 1 1 A 132 132 GLN CB C 217 28.353 28.084 0.269 1 1 917 . 15 1 1 A 132 132 GLN N N 217 121.765 118.925 2.840 1 1 919 . 15 1 1 A 133 133 TYR HA H 218 4.532 4.844 -0.312 1 1 926 . 15 1 1 A 133 133 TYR CA C 218 55.867 56.428 -0.561 1 1 927 . 15 1 1 A 133 133 TYR CB C 218 37.912 38.507 -0.595 1 1 930 . 15 1 1 A 134 134 GLU H H 219 8.293 8.999 -0.706 1 1 931 . 15 1 1 A 134 134 GLU HA H 219 3.689 4.123 -0.434 1 1 936 . 15 1 1 A 134 134 GLU CA C 219 59.268 59.253 0.015 1 1 937 . 15 1 1 A 134 134 GLU CB C 219 28.324 29.116 -0.792 1 1 939 . 15 1 1 A 134 134 GLU N N 219 120.400 124.580 -4.180 1 1 940 . 15 1 1 A 135 135 ARG H H 220 7.887 8.066 -0.179 1 1 941 . 15 1 1 A 135 135 ARG HA H 220 3.981 4.155 -0.174 1 1 949 . 15 1 1 A 135 135 ARG CA C 220 59.266 59.182 0.084 1 1 950 . 15 1 1 A 135 135 ARG CB C 220 30.337 30.067 0.270 1 1 953 . 15 1 1 A 135 135 ARG N N 220 118.589 119.844 -1.255 1 1 955 . 15 1 1 A 137 137 SER HA H 222 3.954 4.103 -0.149 1 1 958 . 15 1 1 A 137 137 SER CA C 222 60.572 61.605 -1.033 1 1 959 . 15 1 1 A 137 137 SER CB C 222 62.761 62.962 -0.201 1 1 960 . 15 1 1 A 138 138 GLN H H 223 7.624 7.399 0.225 1 1 961 . 15 1 1 A 138 138 GLN HA H 223 4.153 4.156 -0.003 1 1 968 . 15 1 1 A 138 138 GLN CA C 223 57.658 58.496 -0.838 1 1 969 . 15 1 1 A 138 138 GLN CB C 223 28.370 28.489 -0.119 1 1 971 . 15 1 1 A 138 138 GLN N N 223 120.575 120.969 -0.394 1 1 973 . 15 1 1 A 139 139 ALA H H 224 7.627 7.959 -0.332 1 1 974 . 15 1 1 A 139 139 ALA HA H 224 4.156 4.184 -0.028 1 1 978 . 15 1 1 A 139 139 ALA CA C 224 54.017 54.926 -0.909 1 1 979 . 15 1 1 A 139 139 ALA CB C 224 18.645 18.118 0.527 1 1 980 . 15 1 1 A 139 139 ALA N N 224 121.263 122.843 -1.580 1 1 981 . 15 1 1 A 140 140 TYR H H 225 8.048 7.981 0.067 1 1 982 . 15 1 1 A 140 140 TYR HA H 225 4.204 4.268 -0.064 1 1 989 . 15 1 1 A 140 140 TYR CA C 225 59.890 61.421 -1.531 1 1 990 . 15 1 1 A 140 140 TYR CB C 225 38.994 38.748 0.246 1 1 993 . 15 1 1 A 140 140 TYR N N 225 118.980 120.567 -1.587 1 1 994 . 15 1 1 A 141 141 TYR H H 226 7.948 8.202 -0.254 1 1 995 . 15 1 1 A 141 141 TYR HA H 226 4.375 4.378 -0.003 1 1 1002 . 15 1 1 A 141 141 TYR CA C 226 59.036 61.048 -2.012 1 1 1003 . 15 1 1 A 141 141 TYR CB C 226 38.060 38.679 -0.619 1 1 1006 . 15 1 1 A 141 141 TYR N N 226 118.596 116.447 2.149 1 1 1007 . 15 1 1 A 142 142 GLN H H 227 7.941 7.883 0.058 1 1 1008 . 15 1 1 A 142 142 GLN HA H 227 4.240 4.520 -0.280 1 1 1015 . 15 1 1 A 142 142 GLN CA C 227 56.346 56.552 -0.206 1 1 1016 . 15 1 1 A 142 142 GLN CB C 227 28.912 29.454 -0.542 1 1 1018 . 15 1 1 A 142 142 GLN N N 227 119.883 118.255 1.628 1 1 1020 . 15 1 1 A 143 143 ARG H H 228 7.966 9.087 -1.121 1 1 1021 . 15 1 1 A 143 143 ARG HA H 228 4.244 4.969 -0.725 1 1 1029 . 15 1 1 A 143 143 ARG CA C 228 56.719 54.322 2.397 1 1 1030 . 15 1 1 A 143 143 ARG CB C 228 30.731 33.763 -3.032 1 1 1033 . 15 1 1 A 143 143 ARG N N 228 120.871 119.709 1.162 1 1 1035 . 15 1 1 A 144 144 GLY H H 229 8.247 8.833 -0.586 1 1 1036 . 15 1 1 A 144 144 GLY HA2 H 229 3.992 3.957 0.035 1 1 1037 . 15 1 1 A 144 144 GLY HA3 H 229 3.992 3.962 0.030 1 1 1038 . 15 1 1 A 144 144 GLY CA C 229 45.359 46.620 -1.261 1 1 1039 . 15 1 1 A 144 144 GLY N N 229 109.072 108.283 0.789 1 1 1040 . 15 1 1 A 145 145 SER H H 230 8.139 8.418 -0.279 1 1 1041 . 15 1 1 A 145 145 SER HA H 230 4.506 4.187 0.319 1 1 1044 . 15 1 1 A 145 145 SER CA C 230 58.123 60.574 -2.451 1 1 1045 . 15 1 1 A 145 145 SER CB C 230 63.878 62.204 1.674 1 1 1046 . 15 1 1 A 145 145 SER N N 230 115.684 118.112 -2.428 1 1 16 . 16 1 1 A 41 41 GLY H H 126 8.484 8.030 0.454 1 1 17 . 16 1 1 A 41 41 GLY HA2 H 126 3.861 4.034 -0.173 1 1 18 . 16 1 1 A 41 41 GLY HA3 H 126 3.920 4.035 -0.115 1 1 19 . 16 1 1 A 41 41 GLY CA C 126 46.260 46.760 -0.500 1 1 20 . 16 1 1 A 41 41 GLY N N 126 109.470 106.637 2.833 1 1 21 . 16 1 1 A 42 42 GLY H H 127 8.326 7.919 0.407 1 1 22 . 16 1 1 A 42 42 GLY HA2 H 127 3.749 3.908 -0.159 1 1 23 . 16 1 1 A 42 42 GLY HA3 H 127 3.900 4.020 -0.120 1 1 24 . 16 1 1 A 42 42 GLY CA C 127 45.226 45.310 -0.084 1 1 25 . 16 1 1 A 42 42 GLY N N 127 109.020 108.410 0.610 1 1 26 . 16 1 1 A 43 43 TYR H H 128 7.692 7.947 -0.255 1 1 27 . 16 1 1 A 43 43 TYR HA H 128 4.675 4.569 0.106 1 1 34 . 16 1 1 A 43 43 TYR CA C 128 57.271 58.899 -1.628 1 1 35 . 16 1 1 A 43 43 TYR CB C 128 40.257 38.080 2.177 1 1 38 . 16 1 1 A 43 43 TYR N N 128 117.301 120.210 -2.909 1 1 39 . 16 1 1 A 44 44 VAL H H 129 8.974 8.488 0.486 1 1 40 . 16 1 1 A 44 44 VAL HA H 129 4.344 4.578 -0.234 1 1 48 . 16 1 1 A 44 44 VAL CA C 129 59.555 61.367 -1.812 1 1 49 . 16 1 1 A 44 44 VAL CB C 129 34.728 32.927 1.801 1 1 52 . 16 1 1 A 44 44 VAL N N 129 118.589 121.912 -3.323 1 1 53 . 16 1 1 A 45 45 LEU H H 130 8.029 8.661 -0.632 1 1 62 . 16 1 1 A 45 45 LEU N N 130 123.350 123.947 -0.597 1 1 63 . 16 1 1 A 46 46 GLY H H 131 9.278 8.213 1.065 1 1 64 . 16 1 1 A 46 46 GLY CA C 131 44.842 46.220 -1.378 1 1 65 . 16 1 1 A 46 46 GLY N N 131 114.623 109.885 4.738 1 1 66 . 16 1 1 A 47 47 SER H H 132 8.315 7.629 0.686 1 1 67 . 16 1 1 A 47 47 SER HA H 132 4.438 4.608 -0.170 1 1 70 . 16 1 1 A 47 47 SER CA C 132 58.520 56.657 1.863 1 1 71 . 16 1 1 A 47 47 SER CB C 132 64.166 64.654 -0.488 1 1 72 . 16 1 1 A 47 47 SER N N 132 113.038 112.671 0.367 1 1 73 . 16 1 1 A 48 48 ALA H H 133 8.736 8.567 0.169 1 1 74 . 16 1 1 A 48 48 ALA HA H 133 4.425 4.455 -0.030 1 1 78 . 16 1 1 A 48 48 ALA CA C 133 53.090 52.138 0.952 1 1 79 . 16 1 1 A 48 48 ALA CB C 133 18.465 19.309 -0.844 1 1 80 . 16 1 1 A 48 48 ALA N N 133 125.270 124.333 0.937 1 1 81 . 16 1 1 A 49 49 MET H H 134 8.758 8.712 0.046 1 1 82 . 16 1 1 A 49 49 MET HA H 134 4.754 4.883 -0.129 1 1 90 . 16 1 1 A 49 49 MET CA C 134 53.972 54.436 -0.464 1 1 91 . 16 1 1 A 49 49 MET CB C 134 37.222 34.148 3.074 1 1 94 . 16 1 1 A 49 49 MET N N 134 120.911 120.805 0.106 1 1 95 . 16 1 1 A 50 50 SER H H 135 8.430 8.706 -0.276 1 1 96 . 16 1 1 A 50 50 SER HA H 135 4.356 4.467 -0.111 1 1 99 . 16 1 1 A 50 50 SER CA C 135 58.630 58.502 0.128 1 1 100 . 16 1 1 A 50 50 SER CB C 135 63.575 64.055 -0.480 1 1 101 . 16 1 1 A 50 50 SER N N 135 116.162 118.666 -2.504 1 1 102 . 16 1 1 A 51 51 ARG H H 136 8.646 8.835 -0.189 1 1 103 . 16 1 1 A 51 51 ARG HA H 136 4.434 3.844 0.590 1 1 111 . 16 1 1 A 51 51 ARG CA C 136 54.863 56.538 -1.675 1 1 112 . 16 1 1 A 51 51 ARG CB C 136 30.519 28.439 2.080 1 1 115 . 16 1 1 A 51 51 ARG N N 136 126.460 119.888 6.572 1 1 117 . 16 1 1 A 52 52 PRO HA H 137 4.413 4.422 -0.009 1 1 124 . 16 1 1 A 52 52 PRO CA C 137 62.198 64.370 -2.172 1 1 125 . 16 1 1 A 52 52 PRO CB C 137 32.165 31.567 0.598 1 1 128 . 16 1 1 A 53 53 ILE H H 138 8.647 7.543 1.104 1 1 129 . 16 1 1 A 53 53 ILE HA H 138 4.160 4.024 0.136 1 1 139 . 16 1 1 A 53 53 ILE CA C 138 60.851 60.755 0.096 1 1 140 . 16 1 1 A 53 53 ILE CB C 138 36.101 37.189 -1.088 1 1 144 . 16 1 1 A 53 53 ILE N N 138 122.534 118.006 4.528 1 1 145 . 16 1 1 A 54 54 ILE H H 139 6.485 9.247 -2.762 1 1 146 . 16 1 1 A 54 54 ILE HA H 139 3.926 4.505 -0.579 1 1 156 . 16 1 1 A 54 54 ILE CA C 139 58.665 58.920 -0.255 1 1 157 . 16 1 1 A 54 54 ILE CB C 139 39.251 40.419 -1.168 1 1 161 . 16 1 1 A 54 54 ILE N N 139 126.733 129.263 -2.530 1 1 162 . 16 1 1 A 55 55 HIS H H 140 8.249 8.389 -0.140 1 1 163 . 16 1 1 A 55 55 HIS HA H 140 4.935 4.050 0.885 1 1 167 . 16 1 1 A 55 55 HIS CA C 140 54.209 57.304 -3.095 1 1 168 . 16 1 1 A 55 55 HIS CB C 140 29.326 30.253 -0.927 1 1 170 . 16 1 1 A 55 55 HIS N N 140 122.048 125.148 -3.100 1 1 171 . 16 1 1 A 56 56 PHE H H 141 10.205 8.425 1.780 1 1 172 . 16 1 1 A 56 56 PHE HA H 141 4.360 3.809 0.551 1 1 175 . 16 1 1 A 56 56 PHE CA C 141 59.367 60.936 -1.569 1 1 176 . 16 1 1 A 56 56 PHE CB C 141 41.594 39.432 2.162 1 1 177 . 16 1 1 A 56 56 PHE N N 141 124.145 124.105 0.040 1 1 178 . 16 1 1 A 57 57 GLY H H 142 9.008 8.666 0.342 1 1 179 . 16 1 1 A 57 57 GLY HA2 H 142 3.835 4.046 -0.211 1 1 180 . 16 1 1 A 57 57 GLY HA3 H 142 4.168 4.056 0.112 1 1 181 . 16 1 1 A 57 57 GLY CA C 142 45.777 45.644 0.133 1 1 182 . 16 1 1 A 57 57 GLY N N 142 108.268 107.877 0.391 1 1 183 . 16 1 1 A 58 58 SER H H 143 7.327 7.860 -0.533 1 1 184 . 16 1 1 A 58 58 SER HA H 143 4.820 4.902 -0.082 1 1 187 . 16 1 1 A 58 58 SER CA C 143 56.405 57.458 -1.053 1 1 188 . 16 1 1 A 58 58 SER CB C 143 66.034 66.544 -0.510 1 1 189 . 16 1 1 A 58 58 SER N N 143 111.827 114.970 -3.143 1 1 190 . 16 1 1 A 59 59 ASP H H 144 9.051 9.238 -0.187 1 1 191 . 16 1 1 A 59 59 ASP HA H 144 4.502 4.216 0.286 1 1 194 . 16 1 1 A 59 59 ASP CA C 144 57.676 58.101 -0.425 1 1 195 . 16 1 1 A 59 59 ASP CB C 144 40.505 40.155 0.350 1 1 196 . 16 1 1 A 59 59 ASP N N 144 124.541 126.502 -1.961 1 1 197 . 16 1 1 A 60 60 TYR H H 145 8.571 8.373 0.198 1 1 198 . 16 1 1 A 60 60 TYR HA H 145 4.197 4.089 0.108 1 1 205 . 16 1 1 A 60 60 TYR CA C 145 61.232 62.213 -0.981 1 1 206 . 16 1 1 A 60 60 TYR CB C 145 37.912 38.738 -0.826 1 1 209 . 16 1 1 A 60 60 TYR N N 145 118.914 121.541 -2.627 1 1 210 . 16 1 1 A 61 61 GLU H H 146 7.737 8.375 -0.638 1 1 211 . 16 1 1 A 61 61 GLU HA H 146 3.590 4.190 -0.600 1 1 216 . 16 1 1 A 61 61 GLU CA C 146 59.607 59.710 -0.103 1 1 217 . 16 1 1 A 61 61 GLU CB C 146 30.059 29.118 0.941 1 1 219 . 16 1 1 A 61 61 GLU N N 146 118.985 118.557 0.428 1 1 220 . 16 1 1 A 62 62 ASP H H 147 8.213 8.631 -0.418 1 1 221 . 16 1 1 A 62 62 ASP HA H 147 4.666 4.567 0.099 1 1 224 . 16 1 1 A 62 62 ASP CA C 147 58.292 57.433 0.859 1 1 225 . 16 1 1 A 62 62 ASP CB C 147 40.171 41.936 -1.765 1 1 226 . 16 1 1 A 62 62 ASP N N 147 119.785 119.861 -0.076 1 1 227 . 16 1 1 A 63 63 ARG H H 148 8.229 7.603 0.626 1 1 228 . 16 1 1 A 63 63 ARG HA H 148 4.016 4.051 -0.035 1 1 236 . 16 1 1 A 63 63 ARG CA C 148 59.611 59.732 -0.121 1 1 237 . 16 1 1 A 63 63 ARG CB C 148 30.059 29.938 0.121 1 1 240 . 16 1 1 A 63 63 ARG N N 148 120.339 118.944 1.395 1 1 242 . 16 1 1 A 64 64 TYR H H 149 8.340 8.342 -0.002 1 1 243 . 16 1 1 A 64 64 TYR HA H 149 3.829 4.280 -0.451 1 1 250 . 16 1 1 A 64 64 TYR CA C 149 61.991 60.083 1.908 1 1 251 . 16 1 1 A 64 64 TYR CB C 149 38.417 38.110 0.307 1 1 254 . 16 1 1 A 64 64 TYR N N 149 121.093 121.198 -0.105 1 1 255 . 16 1 1 A 65 65 TYR H H 150 8.979 8.605 0.374 1 1 256 . 16 1 1 A 65 65 TYR HA H 150 4.132 4.555 -0.423 1 1 263 . 16 1 1 A 65 65 TYR CA C 150 62.691 61.377 1.314 1 1 264 . 16 1 1 A 65 65 TYR CB C 150 38.025 38.942 -0.917 1 1 267 . 16 1 1 A 65 65 TYR N N 150 120.575 120.676 -0.101 1 1 268 . 16 1 1 A 66 66 ARG H H 151 7.997 8.283 -0.286 1 1 269 . 16 1 1 A 66 66 ARG HA H 151 3.925 3.921 0.004 1 1 277 . 16 1 1 A 66 66 ARG CA C 151 60.050 59.206 0.844 1 1 278 . 16 1 1 A 66 66 ARG CB C 151 29.901 29.750 0.151 1 1 281 . 16 1 1 A 66 66 ARG N N 151 117.799 119.083 -1.284 1 1 283 . 16 1 1 A 67 67 GLU H H 152 8.076 8.139 -0.063 1 1 284 . 16 1 1 A 67 67 GLU HA H 152 4.082 4.168 -0.086 1 1 289 . 16 1 1 A 67 67 GLU CA C 152 58.125 58.390 -0.265 1 1 290 . 16 1 1 A 67 67 GLU CB C 152 29.743 29.569 0.174 1 1 292 . 16 1 1 A 67 67 GLU N N 152 116.601 117.895 -1.294 1 1 293 . 16 1 1 A 68 68 ASN H H 153 7.621 7.955 -0.334 1 1 294 . 16 1 1 A 68 68 ASN HA H 153 4.321 4.572 -0.251 1 1 299 . 16 1 1 A 68 68 ASN CA C 153 54.958 56.104 -1.146 1 1 300 . 16 1 1 A 68 68 ASN CB C 153 41.041 38.438 2.603 1 1 301 . 16 1 1 A 68 68 ASN N N 153 114.623 119.090 -4.467 1 1 303 . 16 1 1 A 69 69 MET H H 154 8.105 8.336 -0.231 1 1 304 . 16 1 1 A 69 69 MET HA H 154 3.458 3.966 -0.508 1 1 312 . 16 1 1 A 69 69 MET CA C 154 59.104 57.874 1.230 1 1 313 . 16 1 1 A 69 69 MET CB C 154 30.533 31.849 -1.316 1 1 316 . 16 1 1 A 69 69 MET N N 154 119.633 117.757 1.876 1 1 317 . 16 1 1 A 70 70 HIS H H 155 8.070 7.813 0.257 1 1 319 . 16 1 1 A 70 70 HIS CA C 155 57.650 59.008 -1.358 1 1 320 . 16 1 1 A 70 70 HIS CB C 155 27.591 30.050 -2.459 1 1 322 . 16 1 1 A 70 70 HIS N N 155 115.018 118.701 -3.683 1 1 323 . 16 1 1 A 71 71 ARG H H 156 7.618 7.800 -0.182 1 1 325 . 16 1 1 A 71 71 ARG CA C 156 56.278 55.474 0.804 1 1 326 . 16 1 1 A 71 71 ARG CB C 156 30.770 30.713 0.057 1 1 329 . 16 1 1 A 71 71 ARG N N 156 118.197 115.524 2.673 1 1 331 . 16 1 1 A 72 72 TYR H H 157 7.473 7.872 -0.399 1 1 332 . 16 1 1 A 72 72 TYR HA H 157 5.034 4.616 0.418 1 1 339 . 16 1 1 A 72 72 TYR CA C 157 52.768 56.609 -3.841 1 1 340 . 16 1 1 A 72 72 TYR CB C 157 35.150 38.447 -3.297 1 1 343 . 16 1 1 A 72 72 TYR N N 157 120.873 119.200 1.673 1 1 344 . 16 1 1 A 73 73 PRO HA H 158 4.425 4.597 -0.172 1 1 351 . 16 1 1 A 73 73 PRO CA C 158 63.737 62.810 0.927 1 1 352 . 16 1 1 A 73 73 PRO CB C 158 32.071 32.042 0.029 1 1 355 . 16 1 1 A 74 74 ASN H H 159 8.562 8.860 -0.298 1 1 356 . 16 1 1 A 74 74 ASN HA H 159 4.708 4.662 0.046 1 1 361 . 16 1 1 A 74 74 ASN CA C 159 51.965 53.839 -1.874 1 1 362 . 16 1 1 A 74 74 ASN CB C 159 37.898 40.619 -2.721 1 1 363 . 16 1 1 A 74 74 ASN N N 159 116.213 117.771 -1.558 1 1 365 . 16 1 1 A 75 75 GLN H H 160 7.302 7.687 -0.385 1 1 366 . 16 1 1 A 75 75 GLN HA H 160 4.479 4.738 -0.259 1 1 371 . 16 1 1 A 75 75 GLN CA C 160 54.184 54.260 -0.076 1 1 372 . 16 1 1 A 75 75 GLN CB C 160 34.167 31.793 2.374 1 1 373 . 16 1 1 A 75 75 GLN N N 160 114.122 117.333 -3.211 1 1 375 . 16 1 1 A 76 76 VAL H H 161 8.635 8.901 -0.266 1 1 376 . 16 1 1 A 76 76 VAL HA H 161 4.916 4.683 0.233 1 1 384 . 16 1 1 A 76 76 VAL CA C 161 58.557 60.488 -1.931 1 1 385 . 16 1 1 A 76 76 VAL CB C 161 33.635 33.846 -0.211 1 1 388 . 16 1 1 A 76 76 VAL N N 161 112.903 118.616 -5.713 1 1 389 . 16 1 1 A 77 77 TYR H H 162 8.554 8.638 -0.084 1 1 390 . 16 1 1 A 77 77 TYR HA H 162 5.440 4.902 0.538 1 1 397 . 16 1 1 A 77 77 TYR CA C 162 57.057 56.573 0.484 1 1 398 . 16 1 1 A 77 77 TYR CB C 162 42.147 39.435 2.712 1 1 401 . 16 1 1 A 77 77 TYR N N 162 120.972 126.499 -5.527 1 1 402 . 16 1 1 A 78 78 TYR H H 163 8.686 8.514 0.172 1 1 403 . 16 1 1 A 78 78 TYR HA H 163 4.797 5.472 -0.675 1 1 410 . 16 1 1 A 78 78 TYR CA C 163 55.484 55.794 -0.310 1 1 413 . 16 1 1 A 78 78 TYR N N 163 111.059 119.747 -8.688 1 1 429 . 16 1 1 A 86 86 ASN HA H 171 4.733 4.742 -0.009 1 1 434 . 16 1 1 A 86 86 ASN CA C 171 52.388 53.636 -1.248 1 1 435 . 16 1 1 A 86 86 ASN CB C 171 39.935 39.579 0.356 1 1 437 . 16 1 1 A 87 87 GLN H H 172 8.740 8.917 -0.177 1 1 440 . 16 1 1 A 87 87 GLN CA C 172 59.906 58.772 1.134 1 1 441 . 16 1 1 A 87 87 GLN CB C 172 29.065 28.254 0.811 1 1 443 . 16 1 1 A 87 87 GLN N N 172 121.279 122.806 -1.527 1 1 445 . 16 1 1 A 88 88 ASN H H 173 8.427 8.360 0.067 1 1 446 . 16 1 1 A 88 88 ASN HA H 173 4.255 4.395 -0.140 1 1 451 . 16 1 1 A 88 88 ASN CA C 173 56.396 56.847 -0.451 1 1 452 . 16 1 1 A 88 88 ASN CB C 173 37.912 39.090 -1.178 1 1 453 . 16 1 1 A 88 88 ASN N N 173 116.210 117.631 -1.421 1 1 455 . 16 1 1 A 89 89 ASN H H 174 8.542 8.020 0.522 1 1 456 . 16 1 1 A 89 89 ASN HA H 174 4.509 4.666 -0.157 1 1 461 . 16 1 1 A 89 89 ASN CA C 174 56.013 56.396 -0.383 1 1 462 . 16 1 1 A 89 89 ASN CB C 174 38.359 38.329 0.030 1 1 463 . 16 1 1 A 89 89 ASN N N 174 118.573 118.297 0.276 1 1 465 . 16 1 1 A 90 90 PHE H H 175 8.113 7.824 0.289 1 1 466 . 16 1 1 A 90 90 PHE CA C 175 61.432 61.312 0.120 1 1 467 . 16 1 1 A 90 90 PHE N N 175 120.437 121.717 -1.280 1 1 468 . 16 1 1 A 91 91 VAL H H 176 9.215 8.183 1.032 1 1 469 . 16 1 1 A 91 91 VAL HA H 176 3.608 3.175 0.433 1 1 477 . 16 1 1 A 91 91 VAL CA C 176 67.888 66.451 1.437 1 1 478 . 16 1 1 A 91 91 VAL CB C 176 32.042 31.224 0.818 1 1 480 . 16 1 1 A 91 91 VAL N N 176 120.071 119.028 1.043 1 1 481 . 16 1 1 A 92 92 HIS H H 177 8.497 7.532 0.965 1 1 482 . 16 1 1 A 92 92 HIS HA H 177 4.353 4.236 0.117 1 1 485 . 16 1 1 A 92 92 HIS CA C 177 59.251 59.899 -0.648 1 1 486 . 16 1 1 A 92 92 HIS CB C 177 28.104 29.635 -1.531 1 1 487 . 16 1 1 A 92 92 HIS N N 177 117.399 118.116 -0.717 1 1 488 . 16 1 1 A 93 93 ASN H H 178 7.860 8.301 -0.441 1 1 489 . 16 1 1 A 93 93 ASN HA H 178 4.521 4.421 0.100 1 1 494 . 16 1 1 A 93 93 ASN CA C 178 56.244 56.330 -0.086 1 1 495 . 16 1 1 A 93 93 ASN CB C 178 37.934 37.731 0.203 1 1 496 . 16 1 1 A 93 93 ASN N N 178 116.474 116.286 0.188 1 1 498 . 16 1 1 A 94 94 CYS H H 179 8.133 7.778 0.355 1 1 499 . 16 1 1 A 94 94 CYS CA C 179 58.595 63.554 -4.959 1 1 500 . 16 1 1 A 94 94 CYS CB C 179 40.911 26.921 13.990 1 1 501 . 16 1 1 A 94 94 CYS N N 179 120.418 118.417 2.001 1 1 502 . 16 1 1 A 95 95 VAL H H 180 9.280 7.530 1.750 1 1 503 . 16 1 1 A 95 95 VAL HA H 180 3.654 3.437 0.217 1 1 511 . 16 1 1 A 95 95 VAL CA C 180 66.400 66.839 -0.439 1 1 512 . 16 1 1 A 95 95 VAL CB C 180 31.912 31.543 0.369 1 1 515 . 16 1 1 A 95 95 VAL N N 180 125.212 122.008 3.204 1 1 516 . 16 1 1 A 96 96 ASN H H 181 7.696 7.968 -0.272 1 1 517 . 16 1 1 A 96 96 ASN HA H 181 4.321 4.367 -0.046 1 1 522 . 16 1 1 A 96 96 ASN CA C 181 56.419 56.638 -0.219 1 1 523 . 16 1 1 A 96 96 ASN CB C 181 38.654 39.338 -0.684 1 1 524 . 16 1 1 A 96 96 ASN N N 181 115.816 118.572 -2.756 1 1 526 . 16 1 1 A 97 97 ILE H H 182 8.385 7.379 1.006 1 1 527 . 16 1 1 A 97 97 ILE HA H 182 3.726 3.649 0.077 1 1 537 . 16 1 1 A 97 97 ILE CA C 182 62.446 65.232 -2.786 1 1 538 . 16 1 1 A 97 97 ILE CB C 182 36.464 37.487 -1.023 1 1 542 . 16 1 1 A 97 97 ILE N N 182 118.191 119.443 -1.252 1 1 543 . 16 1 1 A 98 98 THR H H 183 8.157 7.534 0.623 1 1 544 . 16 1 1 A 98 98 THR HA H 183 4.078 4.108 -0.030 1 1 549 . 16 1 1 A 98 98 THR CA C 183 68.807 66.853 1.954 1 1 550 . 16 1 1 A 98 98 THR CB C 183 68.239 68.285 -0.046 1 1 552 . 16 1 1 A 98 98 THR N N 183 117.797 117.407 0.390 1 1 553 . 16 1 1 A 99 99 ILE H H 184 8.528 7.837 0.691 1 1 554 . 16 1 1 A 99 99 ILE HA H 184 3.727 3.614 0.113 1 1 564 . 16 1 1 A 99 99 ILE CA C 184 65.621 64.725 0.896 1 1 565 . 16 1 1 A 99 99 ILE CB C 184 36.531 36.528 0.003 1 1 569 . 16 1 1 A 99 99 ILE N N 184 120.576 121.761 -1.185 1 1 570 . 16 1 1 A 100 100 LYS H H 185 7.953 8.328 -0.375 1 1 571 . 16 1 1 A 100 100 LYS HA H 185 4.068 3.929 0.139 1 1 580 . 16 1 1 A 100 100 LYS CA C 185 59.636 59.744 -0.108 1 1 581 . 16 1 1 A 100 100 LYS CB C 185 31.989 32.401 -0.412 1 1 585 . 16 1 1 A 100 100 LYS N N 185 122.562 121.432 1.130 1 1 586 . 16 1 1 A 101 101 GLN H H 186 8.376 8.139 0.237 1 1 589 . 16 1 1 A 101 101 GLN CA C 186 57.741 58.738 -0.997 1 1 590 . 16 1 1 A 101 101 GLN N N 186 116.213 118.608 -2.395 1 1 592 . 16 1 1 A 102 102 HIS H H 187 8.199 7.901 0.298 1 1 593 . 16 1 1 A 102 102 HIS HA H 187 4.593 4.418 0.175 1 1 596 . 16 1 1 A 102 102 HIS CA C 187 59.062 59.187 -0.125 1 1 597 . 16 1 1 A 102 102 HIS CB C 187 30.384 29.358 1.026 1 1 598 . 16 1 1 A 102 102 HIS N N 187 118.199 120.287 -2.088 1 1 599 . 16 1 1 A 103 103 THR H H 188 8.245 8.289 -0.044 1 1 600 . 16 1 1 A 103 103 THR HA H 188 4.184 4.283 -0.099 1 1 605 . 16 1 1 A 103 103 THR CA C 188 65.017 65.125 -0.108 1 1 606 . 16 1 1 A 103 103 THR CB C 188 69.167 68.943 0.224 1 1 608 . 16 1 1 A 103 103 THR N N 188 113.748 114.804 -1.056 1 1 609 . 16 1 1 A 104 104 VAL H H 189 8.013 8.289 -0.276 1 1 610 . 16 1 1 A 104 104 VAL HA H 189 4.004 3.670 0.334 1 1 618 . 16 1 1 A 104 104 VAL CA C 189 65.151 66.875 -1.724 1 1 619 . 16 1 1 A 104 104 VAL CB C 189 31.743 31.695 0.048 1 1 622 . 16 1 1 A 104 104 VAL N N 189 122.142 120.944 1.198 1 1 623 . 16 1 1 A 105 105 THR H H 190 8.092 8.170 -0.078 1 1 624 . 16 1 1 A 105 105 THR HA H 190 4.250 3.986 0.264 1 1 629 . 16 1 1 A 105 105 THR CA C 190 64.314 65.852 -1.538 1 1 630 . 16 1 1 A 105 105 THR CB C 190 69.159 68.255 0.904 1 1 632 . 16 1 1 A 105 105 THR N N 190 115.022 115.142 -0.120 1 1 633 . 16 1 1 A 106 106 THR H H 191 8.017 7.893 0.124 1 1 634 . 16 1 1 A 106 106 THR HA H 191 4.214 4.107 0.107 1 1 639 . 16 1 1 A 106 106 THR CA C 191 63.874 65.921 -2.047 1 1 640 . 16 1 1 A 106 106 THR CB C 191 69.009 68.561 0.448 1 1 642 . 16 1 1 A 106 106 THR N N 191 114.622 116.790 -2.168 1 1 643 . 16 1 1 A 107 107 THR H H 192 8.194 7.879 0.315 1 1 644 . 16 1 1 A 107 107 THR CA C 192 64.201 66.012 -1.811 1 1 645 . 16 1 1 A 107 107 THR CB C 192 69.159 68.547 0.612 1 1 647 . 16 1 1 A 107 107 THR N N 192 116.611 117.607 -0.996 1 1 648 . 16 1 1 A 108 108 THR H H 193 7.932 8.209 -0.277 1 1 649 . 16 1 1 A 108 108 THR CA C 193 63.871 66.296 -2.425 1 1 650 . 16 1 1 A 108 108 THR CB C 193 69.002 68.473 0.529 1 1 652 . 16 1 1 A 108 108 THR N N 193 116.096 113.836 2.260 1 1 653 . 16 1 1 A 109 109 LYS H H 194 7.821 7.234 0.587 1 1 654 . 16 1 1 A 109 109 LYS HA H 194 4.364 4.416 -0.052 1 1 663 . 16 1 1 A 109 109 LYS CA C 194 56.285 57.264 -0.979 1 1 664 . 16 1 1 A 109 109 LYS CB C 194 32.636 33.350 -0.714 1 1 668 . 16 1 1 A 109 109 LYS N N 194 120.975 122.011 -1.036 1 1 669 . 16 1 1 A 110 110 GLY H H 195 8.109 7.918 0.191 1 1 670 . 16 1 1 A 110 110 GLY HA2 H 195 3.858 3.917 -0.059 1 1 671 . 16 1 1 A 110 110 GLY HA3 H 195 4.083 3.922 0.161 1 1 672 . 16 1 1 A 110 110 GLY CA C 195 45.511 46.661 -1.150 1 1 673 . 16 1 1 A 110 110 GLY N N 195 108.675 108.626 0.049 1 1 674 . 16 1 1 A 111 111 GLU H H 196 7.706 7.323 0.383 1 1 675 . 16 1 1 A 111 111 GLU HA H 196 4.258 4.927 -0.669 1 1 680 . 16 1 1 A 111 111 GLU CA C 196 55.837 54.608 1.229 1 1 681 . 16 1 1 A 111 111 GLU CB C 196 30.673 33.653 -2.980 1 1 683 . 16 1 1 A 111 111 GLU N N 196 120.028 119.715 0.313 1 1 684 . 16 1 1 A 112 112 ASN H H 197 8.460 8.826 -0.366 1 1 685 . 16 1 1 A 112 112 ASN HA H 197 4.668 5.290 -0.622 1 1 690 . 16 1 1 A 112 112 ASN CA C 197 52.923 51.801 1.122 1 1 691 . 16 1 1 A 112 112 ASN CB C 197 40.491 41.366 -0.875 1 1 692 . 16 1 1 A 112 112 ASN N N 197 119.716 118.245 1.471 1 1 694 . 16 1 1 A 113 113 PHE H H 198 8.655 8.165 0.490 1 1 695 . 16 1 1 A 113 113 PHE HA H 198 5.262 5.710 -0.448 1 1 698 . 16 1 1 A 113 113 PHE CA C 198 56.640 55.408 1.232 1 1 699 . 16 1 1 A 113 113 PHE CB C 198 39.899 41.954 -2.055 1 1 700 . 16 1 1 A 113 113 PHE N N 198 122.046 117.788 4.258 1 1 701 . 16 1 1 A 114 114 THR H H 199 9.506 8.912 0.594 1 1 702 . 16 1 1 A 114 114 THR HA H 199 4.625 4.771 -0.146 1 1 707 . 16 1 1 A 114 114 THR CA C 199 60.305 60.297 0.008 1 1 708 . 16 1 1 A 114 114 THR CB C 199 72.033 71.559 0.474 1 1 710 . 16 1 1 A 114 114 THR N N 199 116.124 114.088 2.036 1 1 711 . 16 1 1 A 115 115 GLU H H 200 9.120 9.032 0.088 1 1 712 . 16 1 1 A 115 115 GLU HA H 200 4.051 4.157 -0.106 1 1 717 . 16 1 1 A 115 115 GLU CA C 200 59.877 59.220 0.657 1 1 718 . 16 1 1 A 115 115 GLU CB C 200 28.787 29.127 -0.340 1 1 720 . 16 1 1 A 115 115 GLU N N 200 119.993 120.615 -0.622 1 1 721 . 16 1 1 A 116 116 THR H H 201 7.955 7.693 0.262 1 1 722 . 16 1 1 A 116 116 THR HA H 201 3.794 4.026 -0.232 1 1 727 . 16 1 1 A 116 116 THR CA C 201 66.734 66.576 0.158 1 1 728 . 16 1 1 A 116 116 THR CB C 201 68.624 69.124 -0.500 1 1 730 . 16 1 1 A 116 116 THR N N 201 116.160 117.305 -1.145 1 1 731 . 16 1 1 A 117 117 ASP H H 202 7.505 8.249 -0.744 1 1 732 . 16 1 1 A 117 117 ASP HA H 202 4.577 4.391 0.186 1 1 735 . 16 1 1 A 117 117 ASP CA C 202 58.057 57.725 0.332 1 1 736 . 16 1 1 A 117 117 ASP CB C 202 41.747 41.579 0.168 1 1 737 . 16 1 1 A 117 117 ASP N N 202 120.175 121.194 -1.019 1 1 738 . 16 1 1 A 118 118 VAL H H 203 8.236 8.615 -0.379 1 1 739 . 16 1 1 A 118 118 VAL HA H 203 3.324 3.816 -0.492 1 1 747 . 16 1 1 A 118 118 VAL CA C 203 67.799 64.935 2.864 1 1 748 . 16 1 1 A 118 118 VAL CB C 203 31.269 30.868 0.401 1 1 751 . 16 1 1 A 118 118 VAL N N 203 119.654 118.604 1.050 1 1 752 . 16 1 1 A 119 119 LYS H H 204 7.740 7.851 -0.111 1 1 753 . 16 1 1 A 119 119 LYS HA H 204 4.090 4.067 0.023 1 1 762 . 16 1 1 A 119 119 LYS CA C 204 59.368 59.397 -0.029 1 1 763 . 16 1 1 A 119 119 LYS CB C 204 32.165 32.174 -0.009 1 1 767 . 16 1 1 A 119 119 LYS N N 204 119.288 122.436 -3.148 1 1 768 . 16 1 1 A 120 120 MET H H 205 8.235 7.942 0.293 1 1 769 . 16 1 1 A 120 120 MET HA H 205 4.158 4.328 -0.170 1 1 777 . 16 1 1 A 120 120 MET CA C 205 59.819 58.334 1.485 1 1 778 . 16 1 1 A 120 120 MET CB C 205 33.078 32.775 0.303 1 1 781 . 16 1 1 A 120 120 MET N N 205 118.767 119.409 -0.642 1 1 782 . 16 1 1 A 121 121 MET H H 206 8.755 8.045 0.710 1 1 783 . 16 1 1 A 121 121 MET HA H 206 3.580 4.252 -0.672 1 1 791 . 16 1 1 A 121 121 MET CA C 206 59.639 58.126 1.513 1 1 792 . 16 1 1 A 121 121 MET CB C 206 32.777 31.780 0.997 1 1 795 . 16 1 1 A 121 121 MET N N 206 118.428 118.483 -0.055 1 1 796 . 16 1 1 A 122 122 GLU H H 207 8.419 7.893 0.526 1 1 797 . 16 1 1 A 122 122 GLU HA H 207 3.688 4.015 -0.327 1 1 802 . 16 1 1 A 122 122 GLU CA C 207 60.390 59.329 1.061 1 1 803 . 16 1 1 A 122 122 GLU CB C 207 28.448 29.258 -0.810 1 1 805 . 16 1 1 A 122 122 GLU N N 207 118.469 118.764 -0.295 1 1 806 . 16 1 1 A 123 123 ARG H H 208 7.344 7.658 -0.314 1 1 807 . 16 1 1 A 123 123 ARG HA H 208 4.163 4.097 0.066 1 1 815 . 16 1 1 A 123 123 ARG CA C 208 58.537 59.245 -0.708 1 1 816 . 16 1 1 A 123 123 ARG CB C 208 29.925 30.332 -0.407 1 1 819 . 16 1 1 A 123 123 ARG N N 208 116.990 120.448 -3.458 1 1 821 . 16 1 1 A 124 124 VAL H H 209 8.299 7.328 0.971 1 1 822 . 16 1 1 A 124 124 VAL HA H 209 3.798 3.673 0.125 1 1 830 . 16 1 1 A 124 124 VAL CA C 209 65.995 66.153 -0.158 1 1 831 . 16 1 1 A 124 124 VAL CB C 209 32.075 31.710 0.365 1 1 834 . 16 1 1 A 124 124 VAL N N 209 119.301 119.912 -0.611 1 1 835 . 16 1 1 A 125 125 VAL H H 210 9.016 8.209 0.807 1 1 836 . 16 1 1 A 125 125 VAL HA H 210 3.643 3.549 0.094 1 1 844 . 16 1 1 A 125 125 VAL CA C 210 66.591 66.669 -0.078 1 1 845 . 16 1 1 A 125 125 VAL CB C 210 31.836 31.371 0.465 1 1 848 . 16 1 1 A 125 125 VAL N N 210 121.312 121.160 0.152 1 1 849 . 16 1 1 A 126 126 GLU H H 211 8.153 7.892 0.261 1 1 850 . 16 1 1 A 126 126 GLU HA H 211 3.622 3.894 -0.272 1 1 855 . 16 1 1 A 126 126 GLU CA C 211 60.997 59.727 1.270 1 1 856 . 16 1 1 A 126 126 GLU CB C 211 28.921 28.763 0.158 1 1 858 . 16 1 1 A 126 126 GLU N N 211 120.456 119.999 0.457 1 1 859 . 16 1 1 A 127 127 GLN H H 212 7.274 7.637 -0.363 1 1 862 . 16 1 1 A 127 127 GLN CA C 212 58.803 58.763 0.040 1 1 863 . 16 1 1 A 127 127 GLN N N 212 115.025 118.846 -3.821 1 1 865 . 16 1 1 A 128 128 MET H H 213 8.324 7.937 0.387 1 1 866 . 16 1 1 A 128 128 MET HA H 213 4.146 4.330 -0.184 1 1 872 . 16 1 1 A 128 128 MET CA C 213 59.976 58.208 1.768 1 1 873 . 16 1 1 A 128 128 MET CB C 213 31.911 31.741 0.170 1 1 875 . 16 1 1 A 128 128 MET N N 213 119.344 117.553 1.791 1 1 876 . 16 1 1 A 129 129 CYS H H 214 9.219 8.175 1.044 1 1 877 . 16 1 1 A 129 129 CYS CA C 214 59.821 63.651 -3.830 1 1 878 . 16 1 1 A 129 129 CYS N N 214 118.992 118.440 0.552 1 1 879 . 16 1 1 A 130 130 ILE H H 215 8.340 7.442 0.898 1 1 880 . 16 1 1 A 130 130 ILE HA H 215 3.563 3.765 -0.202 1 1 890 . 16 1 1 A 130 130 ILE CA C 215 66.751 64.599 2.152 1 1 891 . 16 1 1 A 130 130 ILE CB C 215 37.814 37.616 0.198 1 1 895 . 16 1 1 A 130 130 ILE N N 215 123.750 121.612 2.138 1 1 896 . 16 1 1 A 131 131 THR H H 216 8.142 7.692 0.450 1 1 897 . 16 1 1 A 131 131 THR HA H 216 3.940 3.937 0.003 1 1 902 . 16 1 1 A 131 131 THR CA C 216 66.898 66.795 0.103 1 1 903 . 16 1 1 A 131 131 THR CB C 216 69.608 68.478 1.130 1 1 905 . 16 1 1 A 131 131 THR N N 216 118.528 117.308 1.220 1 1 906 . 16 1 1 A 132 132 GLN H H 217 8.687 8.061 0.626 1 1 907 . 16 1 1 A 132 132 GLN HA H 217 3.688 4.247 -0.559 1 1 914 . 16 1 1 A 132 132 GLN CA C 217 58.527 58.329 0.198 1 1 915 . 16 1 1 A 132 132 GLN CB C 217 28.353 28.646 -0.293 1 1 917 . 16 1 1 A 132 132 GLN N N 217 121.765 119.216 2.549 1 1 919 . 16 1 1 A 133 133 TYR HA H 218 4.532 4.443 0.089 1 1 926 . 16 1 1 A 133 133 TYR CA C 218 55.867 59.212 -3.345 1 1 927 . 16 1 1 A 133 133 TYR CB C 218 37.912 38.470 -0.558 1 1 930 . 16 1 1 A 134 134 GLU H H 219 8.293 8.573 -0.280 1 1 931 . 16 1 1 A 134 134 GLU HA H 219 3.689 4.007 -0.318 1 1 936 . 16 1 1 A 134 134 GLU CA C 219 59.268 59.137 0.131 1 1 937 . 16 1 1 A 134 134 GLU CB C 219 28.324 28.654 -0.330 1 1 939 . 16 1 1 A 134 134 GLU N N 219 120.400 119.352 1.048 1 1 940 . 16 1 1 A 135 135 ARG H H 220 7.887 8.102 -0.215 1 1 941 . 16 1 1 A 135 135 ARG HA H 220 3.981 3.926 0.055 1 1 949 . 16 1 1 A 135 135 ARG CA C 220 59.266 59.359 -0.093 1 1 950 . 16 1 1 A 135 135 ARG CB C 220 30.337 29.908 0.429 1 1 953 . 16 1 1 A 135 135 ARG N N 220 118.589 120.095 -1.506 1 1 955 . 16 1 1 A 137 137 SER HA H 222 3.954 4.358 -0.404 1 1 958 . 16 1 1 A 137 137 SER CA C 222 60.572 61.419 -0.847 1 1 959 . 16 1 1 A 137 137 SER CB C 222 62.761 62.404 0.357 1 1 960 . 16 1 1 A 138 138 GLN H H 223 7.624 7.653 -0.029 1 1 961 . 16 1 1 A 138 138 GLN HA H 223 4.153 4.137 0.016 1 1 968 . 16 1 1 A 138 138 GLN CA C 223 57.658 58.441 -0.783 1 1 969 . 16 1 1 A 138 138 GLN CB C 223 28.370 28.395 -0.025 1 1 971 . 16 1 1 A 138 138 GLN N N 223 120.575 121.170 -0.595 1 1 973 . 16 1 1 A 139 139 ALA H H 224 7.627 8.075 -0.448 1 1 974 . 16 1 1 A 139 139 ALA HA H 224 4.156 4.126 0.030 1 1 978 . 16 1 1 A 139 139 ALA CA C 224 54.017 55.034 -1.017 1 1 979 . 16 1 1 A 139 139 ALA CB C 224 18.645 18.348 0.297 1 1 980 . 16 1 1 A 139 139 ALA N N 224 121.263 122.566 -1.303 1 1 981 . 16 1 1 A 140 140 TYR H H 225 8.048 8.321 -0.273 1 1 982 . 16 1 1 A 140 140 TYR HA H 225 4.204 4.254 -0.050 1 1 989 . 16 1 1 A 140 140 TYR CA C 225 59.890 61.565 -1.675 1 1 990 . 16 1 1 A 140 140 TYR CB C 225 38.994 39.081 -0.087 1 1 993 . 16 1 1 A 140 140 TYR N N 225 118.980 119.461 -0.481 1 1 994 . 16 1 1 A 141 141 TYR H H 226 7.948 8.035 -0.087 1 1 995 . 16 1 1 A 141 141 TYR HA H 226 4.375 4.224 0.151 1 1 1002 . 16 1 1 A 141 141 TYR CA C 226 59.036 61.161 -2.125 1 1 1003 . 16 1 1 A 141 141 TYR CB C 226 38.060 38.816 -0.756 1 1 1006 . 16 1 1 A 141 141 TYR N N 226 118.596 120.311 -1.715 1 1 1007 . 16 1 1 A 142 142 GLN H H 227 7.941 7.777 0.164 1 1 1008 . 16 1 1 A 142 142 GLN HA H 227 4.240 4.314 -0.074 1 1 1015 . 16 1 1 A 142 142 GLN CA C 227 56.346 56.339 0.007 1 1 1016 . 16 1 1 A 142 142 GLN CB C 227 28.912 28.340 0.572 1 1 1018 . 16 1 1 A 142 142 GLN N N 227 119.883 119.038 0.845 1 1 1020 . 16 1 1 A 143 143 ARG H H 228 7.966 8.884 -0.918 1 1 1021 . 16 1 1 A 143 143 ARG HA H 228 4.244 4.077 0.167 1 1 1029 . 16 1 1 A 143 143 ARG CA C 228 56.719 58.313 -1.594 1 1 1030 . 16 1 1 A 143 143 ARG CB C 228 30.731 29.036 1.695 1 1 1033 . 16 1 1 A 143 143 ARG N N 228 120.871 121.891 -1.020 1 1 1035 . 16 1 1 A 144 144 GLY H H 229 8.247 8.919 -0.672 1 1 1036 . 16 1 1 A 144 144 GLY HA2 H 229 3.992 4.242 -0.250 1 1 1037 . 16 1 1 A 144 144 GLY HA3 H 229 3.992 4.296 -0.304 1 1 1038 . 16 1 1 A 144 144 GLY CA C 229 45.359 45.850 -0.491 1 1 1039 . 16 1 1 A 144 144 GLY N N 229 109.072 109.051 0.021 1 1 1040 . 16 1 1 A 145 145 SER H H 230 8.139 8.578 -0.439 1 1 1041 . 16 1 1 A 145 145 SER HA H 230 4.506 4.888 -0.382 1 1 1044 . 16 1 1 A 145 145 SER CA C 230 58.123 57.066 1.057 1 1 1045 . 16 1 1 A 145 145 SER CB C 230 63.878 64.832 -0.954 1 1 1046 . 16 1 1 A 145 145 SER N N 230 115.684 117.939 -2.255 1 1 16 . 17 1 1 A 41 41 GLY H H 126 8.484 8.674 -0.190 1 1 17 . 17 1 1 A 41 41 GLY HA2 H 126 3.861 3.865 -0.004 1 1 18 . 17 1 1 A 41 41 GLY HA3 H 126 3.920 3.885 0.035 1 1 19 . 17 1 1 A 41 41 GLY CA C 126 46.260 45.644 0.616 1 1 20 . 17 1 1 A 41 41 GLY N N 126 109.470 110.553 -1.083 1 1 21 . 17 1 1 A 42 42 GLY H H 127 8.326 8.164 0.162 1 1 22 . 17 1 1 A 42 42 GLY HA2 H 127 3.749 3.745 0.004 1 1 23 . 17 1 1 A 42 42 GLY HA3 H 127 3.900 3.867 0.033 1 1 24 . 17 1 1 A 42 42 GLY CA C 127 45.226 45.553 -0.327 1 1 25 . 17 1 1 A 42 42 GLY N N 127 109.020 107.455 1.565 1 1 26 . 17 1 1 A 43 43 TYR H H 128 7.692 8.180 -0.488 1 1 27 . 17 1 1 A 43 43 TYR HA H 128 4.675 4.334 0.341 1 1 34 . 17 1 1 A 43 43 TYR CA C 128 57.271 60.169 -2.898 1 1 35 . 17 1 1 A 43 43 TYR CB C 128 40.257 37.266 2.991 1 1 38 . 17 1 1 A 43 43 TYR N N 128 117.301 113.235 4.066 1 1 39 . 17 1 1 A 44 44 VAL H H 129 8.974 8.261 0.713 1 1 40 . 17 1 1 A 44 44 VAL HA H 129 4.344 4.363 -0.019 1 1 48 . 17 1 1 A 44 44 VAL CA C 129 59.555 62.644 -3.089 1 1 49 . 17 1 1 A 44 44 VAL CB C 129 34.728 32.210 2.518 1 1 52 . 17 1 1 A 44 44 VAL N N 129 118.589 121.234 -2.645 1 1 53 . 17 1 1 A 45 45 LEU H H 130 8.029 8.656 -0.627 1 1 62 . 17 1 1 A 45 45 LEU N N 130 123.350 127.358 -4.008 1 1 63 . 17 1 1 A 46 46 GLY H H 131 9.278 8.207 1.071 1 1 64 . 17 1 1 A 46 46 GLY CA C 131 44.842 46.220 -1.378 1 1 65 . 17 1 1 A 46 46 GLY N N 131 114.623 109.621 5.002 1 1 66 . 17 1 1 A 47 47 SER H H 132 8.315 7.710 0.605 1 1 67 . 17 1 1 A 47 47 SER HA H 132 4.438 4.567 -0.129 1 1 70 . 17 1 1 A 47 47 SER CA C 132 58.520 56.550 1.970 1 1 71 . 17 1 1 A 47 47 SER CB C 132 64.166 64.752 -0.586 1 1 72 . 17 1 1 A 47 47 SER N N 132 113.038 113.603 -0.565 1 1 73 . 17 1 1 A 48 48 ALA H H 133 8.736 8.381 0.355 1 1 74 . 17 1 1 A 48 48 ALA HA H 133 4.425 4.366 0.059 1 1 78 . 17 1 1 A 48 48 ALA CA C 133 53.090 52.253 0.837 1 1 79 . 17 1 1 A 48 48 ALA CB C 133 18.465 19.887 -1.422 1 1 80 . 17 1 1 A 48 48 ALA N N 133 125.270 124.068 1.202 1 1 81 . 17 1 1 A 49 49 MET H H 134 8.758 8.656 0.102 1 1 82 . 17 1 1 A 49 49 MET HA H 134 4.754 5.055 -0.301 1 1 90 . 17 1 1 A 49 49 MET CA C 134 53.972 54.370 -0.398 1 1 91 . 17 1 1 A 49 49 MET CB C 134 37.222 36.912 0.310 1 1 94 . 17 1 1 A 49 49 MET N N 134 120.911 116.803 4.108 1 1 95 . 17 1 1 A 50 50 SER H H 135 8.430 8.554 -0.124 1 1 96 . 17 1 1 A 50 50 SER HA H 135 4.356 4.275 0.081 1 1 99 . 17 1 1 A 50 50 SER CA C 135 58.630 58.670 -0.040 1 1 100 . 17 1 1 A 50 50 SER CB C 135 63.575 63.430 0.145 1 1 101 . 17 1 1 A 50 50 SER N N 135 116.162 118.746 -2.584 1 1 102 . 17 1 1 A 51 51 ARG H H 136 8.646 8.863 -0.217 1 1 103 . 17 1 1 A 51 51 ARG HA H 136 4.434 3.872 0.562 1 1 111 . 17 1 1 A 51 51 ARG CA C 136 54.863 56.545 -1.682 1 1 112 . 17 1 1 A 51 51 ARG CB C 136 30.519 28.416 2.103 1 1 115 . 17 1 1 A 51 51 ARG N N 136 126.460 120.356 6.104 1 1 117 . 17 1 1 A 52 52 PRO HA H 137 4.413 4.607 -0.194 1 1 124 . 17 1 1 A 52 52 PRO CA C 137 62.198 64.448 -2.250 1 1 125 . 17 1 1 A 52 52 PRO CB C 137 32.165 31.444 0.721 1 1 128 . 17 1 1 A 53 53 ILE H H 138 8.647 7.528 1.119 1 1 129 . 17 1 1 A 53 53 ILE HA H 138 4.160 4.172 -0.012 1 1 139 . 17 1 1 A 53 53 ILE CA C 138 60.851 61.901 -1.050 1 1 140 . 17 1 1 A 53 53 ILE CB C 138 36.101 38.642 -2.541 1 1 144 . 17 1 1 A 53 53 ILE N N 138 122.534 118.983 3.551 1 1 145 . 17 1 1 A 54 54 ILE H H 139 6.485 9.028 -2.543 1 1 146 . 17 1 1 A 54 54 ILE HA H 139 3.926 5.030 -1.104 1 1 156 . 17 1 1 A 54 54 ILE CA C 139 58.665 58.570 0.095 1 1 157 . 17 1 1 A 54 54 ILE CB C 139 39.251 41.077 -1.826 1 1 161 . 17 1 1 A 54 54 ILE N N 139 126.733 129.543 -2.810 1 1 162 . 17 1 1 A 55 55 HIS H H 140 8.249 8.571 -0.322 1 1 163 . 17 1 1 A 55 55 HIS HA H 140 4.935 4.588 0.347 1 1 167 . 17 1 1 A 55 55 HIS CA C 140 54.209 55.981 -1.772 1 1 168 . 17 1 1 A 55 55 HIS CB C 140 29.326 30.129 -0.803 1 1 170 . 17 1 1 A 55 55 HIS N N 140 122.048 124.793 -2.745 1 1 171 . 17 1 1 A 56 56 PHE H H 141 10.205 8.950 1.255 1 1 172 . 17 1 1 A 56 56 PHE HA H 141 4.360 4.445 -0.085 1 1 175 . 17 1 1 A 56 56 PHE CA C 141 59.367 59.386 -0.019 1 1 176 . 17 1 1 A 56 56 PHE CB C 141 41.594 40.507 1.087 1 1 177 . 17 1 1 A 56 56 PHE N N 141 124.145 122.630 1.515 1 1 178 . 17 1 1 A 57 57 GLY H H 142 9.008 8.262 0.746 1 1 179 . 17 1 1 A 57 57 GLY HA2 H 142 3.835 4.052 -0.217 1 1 180 . 17 1 1 A 57 57 GLY HA3 H 142 4.168 4.063 0.105 1 1 181 . 17 1 1 A 57 57 GLY CA C 142 45.777 45.328 0.449 1 1 182 . 17 1 1 A 57 57 GLY N N 142 108.268 107.725 0.543 1 1 183 . 17 1 1 A 58 58 SER H H 143 7.327 7.959 -0.632 1 1 184 . 17 1 1 A 58 58 SER HA H 143 4.820 4.725 0.095 1 1 187 . 17 1 1 A 58 58 SER CA C 143 56.405 58.179 -1.774 1 1 188 . 17 1 1 A 58 58 SER CB C 143 66.034 62.538 3.496 1 1 189 . 17 1 1 A 58 58 SER N N 143 111.827 116.775 -4.948 1 1 190 . 17 1 1 A 59 59 ASP H H 144 9.051 8.777 0.274 1 1 191 . 17 1 1 A 59 59 ASP HA H 144 4.502 4.125 0.377 1 1 194 . 17 1 1 A 59 59 ASP CA C 144 57.676 57.103 0.573 1 1 195 . 17 1 1 A 59 59 ASP CB C 144 40.505 40.117 0.388 1 1 196 . 17 1 1 A 59 59 ASP N N 144 124.541 128.458 -3.917 1 1 197 . 17 1 1 A 60 60 TYR H H 145 8.571 7.733 0.838 1 1 198 . 17 1 1 A 60 60 TYR HA H 145 4.197 4.237 -0.040 1 1 205 . 17 1 1 A 60 60 TYR CA C 145 61.232 61.240 -0.008 1 1 206 . 17 1 1 A 60 60 TYR CB C 145 37.912 38.012 -0.100 1 1 209 . 17 1 1 A 60 60 TYR N N 145 118.914 118.629 0.285 1 1 210 . 17 1 1 A 61 61 GLU H H 146 7.737 8.470 -0.733 1 1 211 . 17 1 1 A 61 61 GLU HA H 146 3.590 4.153 -0.563 1 1 216 . 17 1 1 A 61 61 GLU CA C 146 59.607 59.550 0.057 1 1 217 . 17 1 1 A 61 61 GLU CB C 146 30.059 29.030 1.029 1 1 219 . 17 1 1 A 61 61 GLU N N 146 118.985 120.241 -1.256 1 1 220 . 17 1 1 A 62 62 ASP H H 147 8.213 8.399 -0.186 1 1 221 . 17 1 1 A 62 62 ASP HA H 147 4.666 4.261 0.405 1 1 224 . 17 1 1 A 62 62 ASP CA C 147 58.292 56.524 1.768 1 1 225 . 17 1 1 A 62 62 ASP CB C 147 40.171 40.550 -0.379 1 1 226 . 17 1 1 A 62 62 ASP N N 147 119.785 119.906 -0.121 1 1 227 . 17 1 1 A 63 63 ARG H H 148 8.229 8.012 0.217 1 1 228 . 17 1 1 A 63 63 ARG HA H 148 4.016 4.027 -0.011 1 1 236 . 17 1 1 A 63 63 ARG CA C 148 59.611 59.700 -0.089 1 1 237 . 17 1 1 A 63 63 ARG CB C 148 30.059 29.995 0.064 1 1 240 . 17 1 1 A 63 63 ARG N N 148 120.339 120.814 -0.475 1 1 242 . 17 1 1 A 64 64 TYR H H 149 8.340 8.400 -0.060 1 1 243 . 17 1 1 A 64 64 TYR HA H 149 3.829 4.253 -0.424 1 1 250 . 17 1 1 A 64 64 TYR CA C 149 61.991 61.414 0.577 1 1 251 . 17 1 1 A 64 64 TYR CB C 149 38.417 38.059 0.358 1 1 254 . 17 1 1 A 64 64 TYR N N 149 121.093 121.002 0.091 1 1 255 . 17 1 1 A 65 65 TYR H H 150 8.979 8.342 0.637 1 1 256 . 17 1 1 A 65 65 TYR HA H 150 4.132 4.092 0.040 1 1 263 . 17 1 1 A 65 65 TYR CA C 150 62.691 60.557 2.134 1 1 264 . 17 1 1 A 65 65 TYR CB C 150 38.025 38.486 -0.461 1 1 267 . 17 1 1 A 65 65 TYR N N 150 120.575 120.631 -0.056 1 1 268 . 17 1 1 A 66 66 ARG H H 151 7.997 8.379 -0.382 1 1 269 . 17 1 1 A 66 66 ARG HA H 151 3.925 3.913 0.012 1 1 277 . 17 1 1 A 66 66 ARG CA C 151 60.050 59.158 0.892 1 1 278 . 17 1 1 A 66 66 ARG CB C 151 29.901 29.557 0.344 1 1 281 . 17 1 1 A 66 66 ARG N N 151 117.799 119.522 -1.723 1 1 283 . 17 1 1 A 67 67 GLU H H 152 8.076 8.092 -0.016 1 1 284 . 17 1 1 A 67 67 GLU HA H 152 4.082 4.007 0.075 1 1 289 . 17 1 1 A 67 67 GLU CA C 152 58.125 57.809 0.316 1 1 290 . 17 1 1 A 67 67 GLU CB C 152 29.743 29.939 -0.196 1 1 292 . 17 1 1 A 67 67 GLU N N 152 116.601 117.265 -0.664 1 1 293 . 17 1 1 A 68 68 ASN H H 153 7.621 7.625 -0.004 1 1 294 . 17 1 1 A 68 68 ASN HA H 153 4.321 4.816 -0.495 1 1 299 . 17 1 1 A 68 68 ASN CA C 153 54.958 54.627 0.331 1 1 300 . 17 1 1 A 68 68 ASN CB C 153 41.041 38.856 2.185 1 1 301 . 17 1 1 A 68 68 ASN N N 153 114.623 116.638 -2.015 1 1 303 . 17 1 1 A 69 69 MET H H 154 8.105 8.172 -0.067 1 1 304 . 17 1 1 A 69 69 MET HA H 154 3.458 4.019 -0.561 1 1 312 . 17 1 1 A 69 69 MET CA C 154 59.104 58.044 1.060 1 1 313 . 17 1 1 A 69 69 MET CB C 154 30.533 32.080 -1.547 1 1 316 . 17 1 1 A 69 69 MET N N 154 119.633 117.893 1.740 1 1 317 . 17 1 1 A 70 70 HIS H H 155 8.070 8.228 -0.158 1 1 319 . 17 1 1 A 70 70 HIS CA C 155 57.650 58.790 -1.140 1 1 320 . 17 1 1 A 70 70 HIS CB C 155 27.591 28.649 -1.058 1 1 322 . 17 1 1 A 70 70 HIS N N 155 115.018 116.436 -1.418 1 1 323 . 17 1 1 A 71 71 ARG H H 156 7.618 7.923 -0.305 1 1 325 . 17 1 1 A 71 71 ARG CA C 156 56.278 55.272 1.006 1 1 326 . 17 1 1 A 71 71 ARG CB C 156 30.770 29.967 0.803 1 1 329 . 17 1 1 A 71 71 ARG N N 156 118.197 118.486 -0.289 1 1 331 . 17 1 1 A 72 72 TYR H H 157 7.473 8.123 -0.650 1 1 332 . 17 1 1 A 72 72 TYR HA H 157 5.034 4.555 0.479 1 1 339 . 17 1 1 A 72 72 TYR CA C 157 52.768 56.543 -3.775 1 1 340 . 17 1 1 A 72 72 TYR CB C 157 35.150 38.401 -3.251 1 1 343 . 17 1 1 A 72 72 TYR N N 157 120.873 118.386 2.487 1 1 344 . 17 1 1 A 73 73 PRO HA H 158 4.425 4.465 -0.040 1 1 351 . 17 1 1 A 73 73 PRO CA C 158 63.737 62.738 0.999 1 1 352 . 17 1 1 A 73 73 PRO CB C 158 32.071 31.758 0.313 1 1 355 . 17 1 1 A 74 74 ASN H H 159 8.562 8.290 0.272 1 1 356 . 17 1 1 A 74 74 ASN HA H 159 4.708 4.788 -0.080 1 1 361 . 17 1 1 A 74 74 ASN CA C 159 51.965 52.091 -0.126 1 1 362 . 17 1 1 A 74 74 ASN CB C 159 37.898 38.917 -1.019 1 1 363 . 17 1 1 A 74 74 ASN N N 159 116.213 116.294 -0.081 1 1 365 . 17 1 1 A 75 75 GLN H H 160 7.302 7.599 -0.297 1 1 366 . 17 1 1 A 75 75 GLN HA H 160 4.479 4.630 -0.151 1 1 371 . 17 1 1 A 75 75 GLN CA C 160 54.184 54.157 0.027 1 1 372 . 17 1 1 A 75 75 GLN CB C 160 34.167 32.757 1.410 1 1 373 . 17 1 1 A 75 75 GLN N N 160 114.122 119.205 -5.083 1 1 375 . 17 1 1 A 76 76 VAL H H 161 8.635 8.289 0.346 1 1 376 . 17 1 1 A 76 76 VAL HA H 161 4.916 4.724 0.192 1 1 384 . 17 1 1 A 76 76 VAL CA C 161 58.557 58.760 -0.203 1 1 385 . 17 1 1 A 76 76 VAL CB C 161 33.635 35.998 -2.363 1 1 388 . 17 1 1 A 76 76 VAL N N 161 112.903 117.211 -4.308 1 1 389 . 17 1 1 A 77 77 TYR H H 162 8.554 8.597 -0.043 1 1 390 . 17 1 1 A 77 77 TYR HA H 162 5.440 4.716 0.724 1 1 397 . 17 1 1 A 77 77 TYR CA C 162 57.057 56.487 0.570 1 1 398 . 17 1 1 A 77 77 TYR CB C 162 42.147 42.408 -0.261 1 1 401 . 17 1 1 A 77 77 TYR N N 162 120.972 120.040 0.932 1 1 402 . 17 1 1 A 78 78 TYR H H 163 8.686 8.452 0.234 1 1 403 . 17 1 1 A 78 78 TYR HA H 163 4.797 5.624 -0.827 1 1 410 . 17 1 1 A 78 78 TYR CA C 163 55.484 55.304 0.180 1 1 413 . 17 1 1 A 78 78 TYR N N 163 111.059 119.719 -8.660 1 1 429 . 17 1 1 A 86 86 ASN HA H 171 4.733 4.707 0.026 1 1 434 . 17 1 1 A 86 86 ASN CA C 171 52.388 53.556 -1.168 1 1 435 . 17 1 1 A 86 86 ASN CB C 171 39.935 39.135 0.800 1 1 437 . 17 1 1 A 87 87 GLN H H 172 8.740 8.860 -0.120 1 1 440 . 17 1 1 A 87 87 GLN CA C 172 59.906 59.498 0.408 1 1 441 . 17 1 1 A 87 87 GLN CB C 172 29.065 28.629 0.436 1 1 443 . 17 1 1 A 87 87 GLN N N 172 121.279 122.687 -1.408 1 1 445 . 17 1 1 A 88 88 ASN H H 173 8.427 8.232 0.195 1 1 446 . 17 1 1 A 88 88 ASN HA H 173 4.255 4.399 -0.144 1 1 451 . 17 1 1 A 88 88 ASN CA C 173 56.396 55.680 0.716 1 1 452 . 17 1 1 A 88 88 ASN CB C 173 37.912 37.941 -0.029 1 1 453 . 17 1 1 A 88 88 ASN N N 173 116.210 118.377 -2.167 1 1 455 . 17 1 1 A 89 89 ASN H H 174 8.542 8.082 0.460 1 1 456 . 17 1 1 A 89 89 ASN HA H 174 4.509 4.329 0.180 1 1 461 . 17 1 1 A 89 89 ASN CA C 174 56.013 56.053 -0.040 1 1 462 . 17 1 1 A 89 89 ASN CB C 174 38.359 38.300 0.059 1 1 463 . 17 1 1 A 89 89 ASN N N 174 118.573 117.854 0.719 1 1 465 . 17 1 1 A 90 90 PHE H H 175 8.113 8.131 -0.018 1 1 466 . 17 1 1 A 90 90 PHE CA C 175 61.432 61.477 -0.045 1 1 467 . 17 1 1 A 90 90 PHE N N 175 120.437 120.487 -0.050 1 1 468 . 17 1 1 A 91 91 VAL H H 176 9.215 7.977 1.238 1 1 469 . 17 1 1 A 91 91 VAL HA H 176 3.608 3.541 0.067 1 1 477 . 17 1 1 A 91 91 VAL CA C 176 67.888 66.531 1.357 1 1 478 . 17 1 1 A 91 91 VAL CB C 176 32.042 31.727 0.315 1 1 480 . 17 1 1 A 91 91 VAL N N 176 120.071 119.101 0.970 1 1 481 . 17 1 1 A 92 92 HIS H H 177 8.497 7.673 0.824 1 1 482 . 17 1 1 A 92 92 HIS HA H 177 4.353 4.255 0.098 1 1 485 . 17 1 1 A 92 92 HIS CA C 177 59.251 60.049 -0.798 1 1 486 . 17 1 1 A 92 92 HIS CB C 177 28.104 29.625 -1.521 1 1 487 . 17 1 1 A 92 92 HIS N N 177 117.399 118.139 -0.740 1 1 488 . 17 1 1 A 93 93 ASN H H 178 7.860 8.459 -0.599 1 1 489 . 17 1 1 A 93 93 ASN HA H 178 4.521 4.403 0.118 1 1 494 . 17 1 1 A 93 93 ASN CA C 178 56.244 56.425 -0.181 1 1 495 . 17 1 1 A 93 93 ASN CB C 178 37.934 38.067 -0.133 1 1 496 . 17 1 1 A 93 93 ASN N N 178 116.474 116.827 -0.353 1 1 498 . 17 1 1 A 94 94 CYS H H 179 8.133 8.232 -0.099 1 1 499 . 17 1 1 A 94 94 CYS CA C 179 58.595 63.663 -5.068 1 1 500 . 17 1 1 A 94 94 CYS CB C 179 40.911 26.994 13.917 1 1 501 . 17 1 1 A 94 94 CYS N N 179 120.418 118.310 2.108 1 1 502 . 17 1 1 A 95 95 VAL H H 180 9.280 7.778 1.502 1 1 503 . 17 1 1 A 95 95 VAL HA H 180 3.654 3.414 0.240 1 1 511 . 17 1 1 A 95 95 VAL CA C 180 66.400 66.833 -0.433 1 1 512 . 17 1 1 A 95 95 VAL CB C 180 31.912 31.465 0.447 1 1 515 . 17 1 1 A 95 95 VAL N N 180 125.212 121.692 3.520 1 1 516 . 17 1 1 A 96 96 ASN H H 181 7.696 7.974 -0.278 1 1 517 . 17 1 1 A 96 96 ASN HA H 181 4.321 4.431 -0.110 1 1 522 . 17 1 1 A 96 96 ASN CA C 181 56.419 56.637 -0.218 1 1 523 . 17 1 1 A 96 96 ASN CB C 181 38.654 38.624 0.030 1 1 524 . 17 1 1 A 96 96 ASN N N 181 115.816 118.118 -2.302 1 1 526 . 17 1 1 A 97 97 ILE H H 182 8.385 7.438 0.947 1 1 527 . 17 1 1 A 97 97 ILE HA H 182 3.726 3.660 0.066 1 1 537 . 17 1 1 A 97 97 ILE CA C 182 62.446 65.229 -2.783 1 1 538 . 17 1 1 A 97 97 ILE CB C 182 36.464 37.555 -1.091 1 1 542 . 17 1 1 A 97 97 ILE N N 182 118.191 119.535 -1.344 1 1 543 . 17 1 1 A 98 98 THR H H 183 8.157 7.726 0.431 1 1 544 . 17 1 1 A 98 98 THR HA H 183 4.078 4.007 0.071 1 1 549 . 17 1 1 A 98 98 THR CA C 183 68.807 66.807 2.000 1 1 550 . 17 1 1 A 98 98 THR CB C 183 68.239 68.790 -0.551 1 1 552 . 17 1 1 A 98 98 THR N N 183 117.797 117.529 0.268 1 1 553 . 17 1 1 A 99 99 ILE H H 184 8.528 7.592 0.936 1 1 554 . 17 1 1 A 99 99 ILE HA H 184 3.727 3.547 0.180 1 1 564 . 17 1 1 A 99 99 ILE CA C 184 65.621 64.645 0.976 1 1 565 . 17 1 1 A 99 99 ILE CB C 184 36.531 36.994 -0.463 1 1 569 . 17 1 1 A 99 99 ILE N N 184 120.576 121.235 -0.659 1 1 570 . 17 1 1 A 100 100 LYS H H 185 7.953 8.041 -0.088 1 1 571 . 17 1 1 A 100 100 LYS HA H 185 4.068 3.937 0.131 1 1 580 . 17 1 1 A 100 100 LYS CA C 185 59.636 59.807 -0.171 1 1 581 . 17 1 1 A 100 100 LYS CB C 185 31.989 32.490 -0.501 1 1 585 . 17 1 1 A 100 100 LYS N N 185 122.562 121.500 1.062 1 1 586 . 17 1 1 A 101 101 GLN H H 186 8.376 7.738 0.638 1 1 589 . 17 1 1 A 101 101 GLN CA C 186 57.741 58.611 -0.870 1 1 590 . 17 1 1 A 101 101 GLN N N 186 116.213 118.494 -2.281 1 1 592 . 17 1 1 A 102 102 HIS H H 187 8.199 7.794 0.405 1 1 593 . 17 1 1 A 102 102 HIS HA H 187 4.593 4.279 0.314 1 1 596 . 17 1 1 A 102 102 HIS CA C 187 59.062 59.247 -0.185 1 1 597 . 17 1 1 A 102 102 HIS CB C 187 30.384 29.782 0.602 1 1 598 . 17 1 1 A 102 102 HIS N N 187 118.199 120.978 -2.779 1 1 599 . 17 1 1 A 103 103 THR H H 188 8.245 8.207 0.038 1 1 600 . 17 1 1 A 103 103 THR HA H 188 4.184 4.135 0.049 1 1 605 . 17 1 1 A 103 103 THR CA C 188 65.017 65.246 -0.229 1 1 606 . 17 1 1 A 103 103 THR CB C 188 69.167 68.942 0.225 1 1 608 . 17 1 1 A 103 103 THR N N 188 113.748 114.036 -0.288 1 1 609 . 17 1 1 A 104 104 VAL H H 189 8.013 8.123 -0.110 1 1 610 . 17 1 1 A 104 104 VAL HA H 189 4.004 3.603 0.401 1 1 618 . 17 1 1 A 104 104 VAL CA C 189 65.151 66.851 -1.700 1 1 619 . 17 1 1 A 104 104 VAL CB C 189 31.743 31.717 0.026 1 1 622 . 17 1 1 A 104 104 VAL N N 189 122.142 121.033 1.109 1 1 623 . 17 1 1 A 105 105 THR H H 190 8.092 7.752 0.340 1 1 624 . 17 1 1 A 105 105 THR HA H 190 4.250 3.939 0.311 1 1 629 . 17 1 1 A 105 105 THR CA C 190 64.314 65.661 -1.347 1 1 630 . 17 1 1 A 105 105 THR CB C 190 69.159 68.431 0.728 1 1 632 . 17 1 1 A 105 105 THR N N 190 115.022 115.547 -0.525 1 1 633 . 17 1 1 A 106 106 THR H H 191 8.017 7.832 0.185 1 1 634 . 17 1 1 A 106 106 THR HA H 191 4.214 3.979 0.235 1 1 639 . 17 1 1 A 106 106 THR CA C 191 63.874 65.810 -1.936 1 1 640 . 17 1 1 A 106 106 THR CB C 191 69.009 68.498 0.511 1 1 642 . 17 1 1 A 106 106 THR N N 191 114.622 116.504 -1.882 1 1 643 . 17 1 1 A 107 107 THR H H 192 8.194 8.131 0.063 1 1 644 . 17 1 1 A 107 107 THR CA C 192 64.201 65.098 -0.897 1 1 645 . 17 1 1 A 107 107 THR CB C 192 69.159 68.556 0.603 1 1 647 . 17 1 1 A 107 107 THR N N 192 116.611 113.528 3.083 1 1 648 . 17 1 1 A 108 108 THR H H 193 7.932 8.263 -0.331 1 1 649 . 17 1 1 A 108 108 THR CA C 193 63.871 67.086 -3.215 1 1 650 . 17 1 1 A 108 108 THR CB C 193 69.002 68.581 0.421 1 1 652 . 17 1 1 A 108 108 THR N N 193 116.096 116.432 -0.336 1 1 653 . 17 1 1 A 109 109 LYS H H 194 7.821 7.463 0.358 1 1 654 . 17 1 1 A 109 109 LYS HA H 194 4.364 4.428 -0.064 1 1 663 . 17 1 1 A 109 109 LYS CA C 194 56.285 56.989 -0.704 1 1 664 . 17 1 1 A 109 109 LYS CB C 194 32.636 33.271 -0.635 1 1 668 . 17 1 1 A 109 109 LYS N N 194 120.975 119.838 1.137 1 1 669 . 17 1 1 A 110 110 GLY H H 195 8.109 7.939 0.170 1 1 670 . 17 1 1 A 110 110 GLY HA2 H 195 3.858 3.919 -0.061 1 1 671 . 17 1 1 A 110 110 GLY HA3 H 195 4.083 3.920 0.163 1 1 672 . 17 1 1 A 110 110 GLY CA C 195 45.511 46.305 -0.794 1 1 673 . 17 1 1 A 110 110 GLY N N 195 108.675 108.662 0.013 1 1 674 . 17 1 1 A 111 111 GLU H H 196 7.706 8.015 -0.309 1 1 675 . 17 1 1 A 111 111 GLU HA H 196 4.258 4.922 -0.664 1 1 680 . 17 1 1 A 111 111 GLU CA C 196 55.837 54.530 1.307 1 1 681 . 17 1 1 A 111 111 GLU CB C 196 30.673 33.485 -2.812 1 1 683 . 17 1 1 A 111 111 GLU N N 196 120.028 119.423 0.605 1 1 684 . 17 1 1 A 112 112 ASN H H 197 8.460 8.762 -0.302 1 1 685 . 17 1 1 A 112 112 ASN HA H 197 4.668 5.282 -0.614 1 1 690 . 17 1 1 A 112 112 ASN CA C 197 52.923 51.767 1.156 1 1 691 . 17 1 1 A 112 112 ASN CB C 197 40.491 41.652 -1.161 1 1 692 . 17 1 1 A 112 112 ASN N N 197 119.716 118.337 1.379 1 1 694 . 17 1 1 A 113 113 PHE H H 198 8.655 8.133 0.522 1 1 695 . 17 1 1 A 113 113 PHE HA H 198 5.262 5.635 -0.373 1 1 698 . 17 1 1 A 113 113 PHE CA C 198 56.640 55.499 1.141 1 1 699 . 17 1 1 A 113 113 PHE CB C 198 39.899 41.828 -1.929 1 1 700 . 17 1 1 A 113 113 PHE N N 198 122.046 118.112 3.934 1 1 701 . 17 1 1 A 114 114 THR H H 199 9.506 8.962 0.544 1 1 702 . 17 1 1 A 114 114 THR HA H 199 4.625 4.738 -0.113 1 1 707 . 17 1 1 A 114 114 THR CA C 199 60.305 60.562 -0.257 1 1 708 . 17 1 1 A 114 114 THR CB C 199 72.033 71.291 0.742 1 1 710 . 17 1 1 A 114 114 THR N N 199 116.124 113.962 2.162 1 1 711 . 17 1 1 A 115 115 GLU H H 200 9.120 9.044 0.076 1 1 712 . 17 1 1 A 115 115 GLU HA H 200 4.051 4.176 -0.125 1 1 717 . 17 1 1 A 115 115 GLU CA C 200 59.877 59.234 0.643 1 1 718 . 17 1 1 A 115 115 GLU CB C 200 28.787 29.173 -0.386 1 1 720 . 17 1 1 A 115 115 GLU N N 200 119.993 121.109 -1.116 1 1 721 . 17 1 1 A 116 116 THR H H 201 7.955 7.727 0.228 1 1 722 . 17 1 1 A 116 116 THR HA H 201 3.794 4.057 -0.263 1 1 727 . 17 1 1 A 116 116 THR CA C 201 66.734 66.765 -0.031 1 1 728 . 17 1 1 A 116 116 THR CB C 201 68.624 69.108 -0.484 1 1 730 . 17 1 1 A 116 116 THR N N 201 116.160 117.350 -1.190 1 1 731 . 17 1 1 A 117 117 ASP H H 202 7.505 8.204 -0.699 1 1 732 . 17 1 1 A 117 117 ASP HA H 202 4.577 4.458 0.119 1 1 735 . 17 1 1 A 117 117 ASP CA C 202 58.057 57.800 0.257 1 1 736 . 17 1 1 A 117 117 ASP CB C 202 41.747 41.448 0.299 1 1 737 . 17 1 1 A 117 117 ASP N N 202 120.175 121.300 -1.125 1 1 738 . 17 1 1 A 118 118 VAL H H 203 8.236 8.628 -0.392 1 1 739 . 17 1 1 A 118 118 VAL HA H 203 3.324 3.864 -0.540 1 1 747 . 17 1 1 A 118 118 VAL CA C 203 67.799 64.984 2.815 1 1 748 . 17 1 1 A 118 118 VAL CB C 203 31.269 30.913 0.356 1 1 751 . 17 1 1 A 118 118 VAL N N 203 119.654 118.647 1.007 1 1 752 . 17 1 1 A 119 119 LYS H H 204 7.740 8.013 -0.273 1 1 753 . 17 1 1 A 119 119 LYS HA H 204 4.090 4.023 0.067 1 1 762 . 17 1 1 A 119 119 LYS CA C 204 59.368 59.606 -0.238 1 1 763 . 17 1 1 A 119 119 LYS CB C 204 32.165 31.934 0.231 1 1 767 . 17 1 1 A 119 119 LYS N N 204 119.288 121.518 -2.230 1 1 768 . 17 1 1 A 120 120 MET H H 205 8.235 8.124 0.111 1 1 769 . 17 1 1 A 120 120 MET HA H 205 4.158 4.492 -0.334 1 1 777 . 17 1 1 A 120 120 MET CA C 205 59.819 58.764 1.055 1 1 778 . 17 1 1 A 120 120 MET CB C 205 33.078 33.145 -0.067 1 1 781 . 17 1 1 A 120 120 MET N N 205 118.767 119.019 -0.252 1 1 782 . 17 1 1 A 121 121 MET H H 206 8.755 8.006 0.749 1 1 783 . 17 1 1 A 121 121 MET HA H 206 3.580 4.189 -0.609 1 1 791 . 17 1 1 A 121 121 MET CA C 206 59.639 58.526 1.113 1 1 792 . 17 1 1 A 121 121 MET CB C 206 32.777 33.231 -0.454 1 1 795 . 17 1 1 A 121 121 MET N N 206 118.428 118.675 -0.247 1 1 796 . 17 1 1 A 122 122 GLU H H 207 8.419 8.320 0.099 1 1 797 . 17 1 1 A 122 122 GLU HA H 207 3.688 3.921 -0.233 1 1 802 . 17 1 1 A 122 122 GLU CA C 207 60.390 59.460 0.930 1 1 803 . 17 1 1 A 122 122 GLU CB C 207 28.448 29.294 -0.846 1 1 805 . 17 1 1 A 122 122 GLU N N 207 118.469 118.726 -0.257 1 1 806 . 17 1 1 A 123 123 ARG H H 208 7.344 7.543 -0.199 1 1 807 . 17 1 1 A 123 123 ARG HA H 208 4.163 3.970 0.193 1 1 815 . 17 1 1 A 123 123 ARG CA C 208 58.537 59.514 -0.977 1 1 816 . 17 1 1 A 123 123 ARG CB C 208 29.925 30.203 -0.278 1 1 819 . 17 1 1 A 123 123 ARG N N 208 116.990 120.306 -3.316 1 1 821 . 17 1 1 A 124 124 VAL H H 209 8.299 7.820 0.479 1 1 822 . 17 1 1 A 124 124 VAL HA H 209 3.798 3.742 0.056 1 1 830 . 17 1 1 A 124 124 VAL CA C 209 65.995 65.891 0.104 1 1 831 . 17 1 1 A 124 124 VAL CB C 209 32.075 31.776 0.299 1 1 834 . 17 1 1 A 124 124 VAL N N 209 119.301 119.300 0.001 1 1 835 . 17 1 1 A 125 125 VAL H H 210 9.016 8.096 0.920 1 1 836 . 17 1 1 A 125 125 VAL HA H 210 3.643 3.465 0.178 1 1 844 . 17 1 1 A 125 125 VAL CA C 210 66.591 66.544 0.047 1 1 845 . 17 1 1 A 125 125 VAL CB C 210 31.836 31.627 0.209 1 1 848 . 17 1 1 A 125 125 VAL N N 210 121.312 120.326 0.986 1 1 849 . 17 1 1 A 126 126 GLU H H 211 8.153 7.924 0.229 1 1 850 . 17 1 1 A 126 126 GLU HA H 211 3.622 3.959 -0.337 1 1 855 . 17 1 1 A 126 126 GLU CA C 211 60.997 59.808 1.189 1 1 856 . 17 1 1 A 126 126 GLU CB C 211 28.921 28.777 0.144 1 1 858 . 17 1 1 A 126 126 GLU N N 211 120.456 119.808 0.648 1 1 859 . 17 1 1 A 127 127 GLN H H 212 7.274 8.010 -0.736 1 1 862 . 17 1 1 A 127 127 GLN CA C 212 58.803 58.844 -0.041 1 1 863 . 17 1 1 A 127 127 GLN N N 212 115.025 118.513 -3.488 1 1 865 . 17 1 1 A 128 128 MET H H 213 8.324 7.918 0.406 1 1 866 . 17 1 1 A 128 128 MET HA H 213 4.146 4.210 -0.064 1 1 872 . 17 1 1 A 128 128 MET CA C 213 59.976 58.149 1.827 1 1 873 . 17 1 1 A 128 128 MET CB C 213 31.911 32.566 -0.655 1 1 875 . 17 1 1 A 128 128 MET N N 213 119.344 118.668 0.676 1 1 876 . 17 1 1 A 129 129 CYS H H 214 9.219 8.130 1.089 1 1 877 . 17 1 1 A 129 129 CYS CA C 214 59.821 63.727 -3.906 1 1 878 . 17 1 1 A 129 129 CYS N N 214 118.992 117.709 1.283 1 1 879 . 17 1 1 A 130 130 ILE H H 215 8.340 7.689 0.651 1 1 880 . 17 1 1 A 130 130 ILE HA H 215 3.563 4.061 -0.498 1 1 890 . 17 1 1 A 130 130 ILE CA C 215 66.751 64.380 2.371 1 1 891 . 17 1 1 A 130 130 ILE CB C 215 37.814 36.413 1.401 1 1 895 . 17 1 1 A 130 130 ILE N N 215 123.750 121.585 2.165 1 1 896 . 17 1 1 A 131 131 THR H H 216 8.142 8.502 -0.360 1 1 897 . 17 1 1 A 131 131 THR HA H 216 3.940 3.966 -0.026 1 1 902 . 17 1 1 A 131 131 THR CA C 216 66.898 67.056 -0.158 1 1 903 . 17 1 1 A 131 131 THR CB C 216 69.608 68.298 1.310 1 1 905 . 17 1 1 A 131 131 THR N N 216 118.528 118.309 0.219 1 1 906 . 17 1 1 A 132 132 GLN H H 217 8.687 8.010 0.677 1 1 907 . 17 1 1 A 132 132 GLN HA H 217 3.688 4.030 -0.342 1 1 914 . 17 1 1 A 132 132 GLN CA C 217 58.527 58.683 -0.156 1 1 915 . 17 1 1 A 132 132 GLN CB C 217 28.353 28.381 -0.028 1 1 917 . 17 1 1 A 132 132 GLN N N 217 121.765 120.663 1.102 1 1 919 . 17 1 1 A 133 133 TYR HA H 218 4.532 4.435 0.097 1 1 926 . 17 1 1 A 133 133 TYR CA C 218 55.867 59.596 -3.729 1 1 927 . 17 1 1 A 133 133 TYR CB C 218 37.912 38.615 -0.703 1 1 930 . 17 1 1 A 134 134 GLU H H 219 8.293 9.004 -0.711 1 1 931 . 17 1 1 A 134 134 GLU HA H 219 3.689 4.059 -0.370 1 1 936 . 17 1 1 A 134 134 GLU CA C 219 59.268 59.991 -0.723 1 1 937 . 17 1 1 A 134 134 GLU CB C 219 28.324 29.705 -1.381 1 1 939 . 17 1 1 A 134 134 GLU N N 219 120.400 125.308 -4.908 1 1 940 . 17 1 1 A 135 135 ARG H H 220 7.887 8.247 -0.360 1 1 941 . 17 1 1 A 135 135 ARG HA H 220 3.981 4.059 -0.078 1 1 949 . 17 1 1 A 135 135 ARG CA C 220 59.266 59.179 0.087 1 1 950 . 17 1 1 A 135 135 ARG CB C 220 30.337 29.897 0.440 1 1 953 . 17 1 1 A 135 135 ARG N N 220 118.589 120.320 -1.731 1 1 955 . 17 1 1 A 137 137 SER HA H 222 3.954 4.210 -0.256 1 1 958 . 17 1 1 A 137 137 SER CA C 222 60.572 61.920 -1.348 1 1 959 . 17 1 1 A 137 137 SER CB C 222 62.761 63.012 -0.251 1 1 960 . 17 1 1 A 138 138 GLN H H 223 7.624 7.983 -0.359 1 1 961 . 17 1 1 A 138 138 GLN HA H 223 4.153 4.175 -0.022 1 1 968 . 17 1 1 A 138 138 GLN CA C 223 57.658 58.578 -0.920 1 1 969 . 17 1 1 A 138 138 GLN CB C 223 28.370 28.633 -0.263 1 1 971 . 17 1 1 A 138 138 GLN N N 223 120.575 121.212 -0.637 1 1 973 . 17 1 1 A 139 139 ALA H H 224 7.627 7.829 -0.202 1 1 974 . 17 1 1 A 139 139 ALA HA H 224 4.156 4.162 -0.006 1 1 978 . 17 1 1 A 139 139 ALA CA C 224 54.017 55.216 -1.199 1 1 979 . 17 1 1 A 139 139 ALA CB C 224 18.645 18.172 0.473 1 1 980 . 17 1 1 A 139 139 ALA N N 224 121.263 122.278 -1.015 1 1 981 . 17 1 1 A 140 140 TYR H H 225 8.048 8.256 -0.208 1 1 982 . 17 1 1 A 140 140 TYR HA H 225 4.204 4.172 0.032 1 1 989 . 17 1 1 A 140 140 TYR CA C 225 59.890 61.706 -1.816 1 1 990 . 17 1 1 A 140 140 TYR CB C 225 38.994 38.595 0.399 1 1 993 . 17 1 1 A 140 140 TYR N N 225 118.980 119.745 -0.765 1 1 994 . 17 1 1 A 141 141 TYR H H 226 7.948 8.211 -0.263 1 1 995 . 17 1 1 A 141 141 TYR HA H 226 4.375 4.459 -0.084 1 1 1002 . 17 1 1 A 141 141 TYR CA C 226 59.036 61.774 -2.738 1 1 1003 . 17 1 1 A 141 141 TYR CB C 226 38.060 38.866 -0.806 1 1 1006 . 17 1 1 A 141 141 TYR N N 226 118.596 119.445 -0.849 1 1 1007 . 17 1 1 A 142 142 GLN H H 227 7.941 7.950 -0.009 1 1 1008 . 17 1 1 A 142 142 GLN HA H 227 4.240 4.557 -0.317 1 1 1015 . 17 1 1 A 142 142 GLN CA C 227 56.346 54.715 1.631 1 1 1016 . 17 1 1 A 142 142 GLN CB C 227 28.912 28.915 -0.003 1 1 1018 . 17 1 1 A 142 142 GLN N N 227 119.883 117.671 2.212 1 1 1020 . 17 1 1 A 143 143 ARG H H 228 7.966 7.997 -0.031 1 1 1021 . 17 1 1 A 143 143 ARG HA H 228 4.244 4.004 0.240 1 1 1029 . 17 1 1 A 143 143 ARG CA C 228 56.719 58.262 -1.543 1 1 1030 . 17 1 1 A 143 143 ARG CB C 228 30.731 29.035 1.696 1 1 1033 . 17 1 1 A 143 143 ARG N N 228 120.871 116.134 4.737 1 1 1035 . 17 1 1 A 144 144 GLY H H 229 8.247 8.335 -0.088 1 1 1036 . 17 1 1 A 144 144 GLY HA2 H 229 3.992 4.105 -0.113 1 1 1037 . 17 1 1 A 144 144 GLY HA3 H 229 3.992 4.133 -0.141 1 1 1038 . 17 1 1 A 144 144 GLY CA C 229 45.359 45.589 -0.230 1 1 1039 . 17 1 1 A 144 144 GLY N N 229 109.072 109.659 -0.587 1 1 1040 . 17 1 1 A 145 145 SER H H 230 8.139 8.159 -0.020 1 1 1041 . 17 1 1 A 145 145 SER HA H 230 4.506 4.620 -0.114 1 1 1044 . 17 1 1 A 145 145 SER CA C 230 58.123 59.338 -1.215 1 1 1045 . 17 1 1 A 145 145 SER CB C 230 63.878 66.052 -2.174 1 1 1046 . 17 1 1 A 145 145 SER N N 230 115.684 113.045 2.639 1 1 16 . 18 1 1 A 41 41 GLY H H 126 8.484 8.710 -0.226 1 1 17 . 18 1 1 A 41 41 GLY HA2 H 126 3.861 3.991 -0.130 1 1 18 . 18 1 1 A 41 41 GLY HA3 H 126 3.920 4.013 -0.093 1 1 19 . 18 1 1 A 41 41 GLY CA C 126 46.260 45.295 0.965 1 1 20 . 18 1 1 A 41 41 GLY N N 126 109.470 108.206 1.264 1 1 21 . 18 1 1 A 42 42 GLY H H 127 8.326 8.150 0.176 1 1 22 . 18 1 1 A 42 42 GLY HA2 H 127 3.749 3.879 -0.130 1 1 23 . 18 1 1 A 42 42 GLY HA3 H 127 3.900 3.937 -0.037 1 1 24 . 18 1 1 A 42 42 GLY CA C 127 45.226 46.775 -1.549 1 1 25 . 18 1 1 A 42 42 GLY N N 127 109.020 108.217 0.803 1 1 26 . 18 1 1 A 43 43 TYR H H 128 7.692 7.816 -0.124 1 1 27 . 18 1 1 A 43 43 TYR HA H 128 4.675 5.044 -0.369 1 1 34 . 18 1 1 A 43 43 TYR CA C 128 57.271 57.738 -0.467 1 1 35 . 18 1 1 A 43 43 TYR CB C 128 40.257 40.132 0.125 1 1 38 . 18 1 1 A 43 43 TYR N N 128 117.301 118.959 -1.658 1 1 39 . 18 1 1 A 44 44 VAL H H 129 8.974 8.762 0.212 1 1 40 . 18 1 1 A 44 44 VAL HA H 129 4.344 4.278 0.066 1 1 48 . 18 1 1 A 44 44 VAL CA C 129 59.555 62.066 -2.511 1 1 49 . 18 1 1 A 44 44 VAL CB C 129 34.728 32.809 1.919 1 1 52 . 18 1 1 A 44 44 VAL N N 129 118.589 122.703 -4.114 1 1 53 . 18 1 1 A 45 45 LEU H H 130 8.029 8.494 -0.465 1 1 62 . 18 1 1 A 45 45 LEU N N 130 123.350 124.862 -1.512 1 1 63 . 18 1 1 A 46 46 GLY H H 131 9.278 8.499 0.779 1 1 64 . 18 1 1 A 46 46 GLY CA C 131 44.842 45.877 -1.035 1 1 65 . 18 1 1 A 46 46 GLY N N 131 114.623 114.175 0.448 1 1 66 . 18 1 1 A 47 47 SER H H 132 8.315 7.545 0.770 1 1 67 . 18 1 1 A 47 47 SER HA H 132 4.438 4.552 -0.114 1 1 70 . 18 1 1 A 47 47 SER CA C 132 58.520 56.678 1.842 1 1 71 . 18 1 1 A 47 47 SER CB C 132 64.166 64.429 -0.263 1 1 72 . 18 1 1 A 47 47 SER N N 132 113.038 112.095 0.943 1 1 73 . 18 1 1 A 48 48 ALA H H 133 8.736 8.594 0.142 1 1 74 . 18 1 1 A 48 48 ALA HA H 133 4.425 5.215 -0.790 1 1 78 . 18 1 1 A 48 48 ALA CA C 133 53.090 50.403 2.687 1 1 79 . 18 1 1 A 48 48 ALA CB C 133 18.465 22.234 -3.769 1 1 80 . 18 1 1 A 48 48 ALA N N 133 125.270 124.516 0.754 1 1 81 . 18 1 1 A 49 49 MET H H 134 8.758 8.929 -0.171 1 1 82 . 18 1 1 A 49 49 MET HA H 134 4.754 5.090 -0.336 1 1 90 . 18 1 1 A 49 49 MET CA C 134 53.972 54.201 -0.229 1 1 91 . 18 1 1 A 49 49 MET CB C 134 37.222 37.169 0.053 1 1 94 . 18 1 1 A 49 49 MET N N 134 120.911 118.105 2.806 1 1 95 . 18 1 1 A 50 50 SER H H 135 8.430 8.573 -0.143 1 1 96 . 18 1 1 A 50 50 SER HA H 135 4.356 4.815 -0.459 1 1 99 . 18 1 1 A 50 50 SER CA C 135 58.630 57.112 1.518 1 1 100 . 18 1 1 A 50 50 SER CB C 135 63.575 63.986 -0.411 1 1 101 . 18 1 1 A 50 50 SER N N 135 116.162 117.982 -1.820 1 1 102 . 18 1 1 A 51 51 ARG H H 136 8.646 8.510 0.136 1 1 103 . 18 1 1 A 51 51 ARG HA H 136 4.434 4.727 -0.293 1 1 111 . 18 1 1 A 51 51 ARG CA C 136 54.863 54.216 0.647 1 1 112 . 18 1 1 A 51 51 ARG CB C 136 30.519 30.575 -0.056 1 1 115 . 18 1 1 A 51 51 ARG N N 136 126.460 127.487 -1.027 1 1 117 . 18 1 1 A 52 52 PRO HA H 137 4.413 4.277 0.136 1 1 124 . 18 1 1 A 52 52 PRO CA C 137 62.198 65.166 -2.968 1 1 125 . 18 1 1 A 52 52 PRO CB C 137 32.165 32.053 0.112 1 1 128 . 18 1 1 A 53 53 ILE H H 138 8.647 8.125 0.522 1 1 129 . 18 1 1 A 53 53 ILE HA H 138 4.160 4.883 -0.723 1 1 139 . 18 1 1 A 53 53 ILE CA C 138 60.851 60.618 0.233 1 1 140 . 18 1 1 A 53 53 ILE CB C 138 36.101 38.899 -2.798 1 1 144 . 18 1 1 A 53 53 ILE N N 138 122.534 117.301 5.233 1 1 145 . 18 1 1 A 54 54 ILE H H 139 6.485 9.061 -2.576 1 1 146 . 18 1 1 A 54 54 ILE HA H 139 3.926 4.364 -0.438 1 1 156 . 18 1 1 A 54 54 ILE CA C 139 58.665 59.943 -1.278 1 1 157 . 18 1 1 A 54 54 ILE CB C 139 39.251 39.498 -0.247 1 1 161 . 18 1 1 A 54 54 ILE N N 139 126.733 128.689 -1.956 1 1 162 . 18 1 1 A 55 55 HIS H H 140 8.249 8.718 -0.469 1 1 163 . 18 1 1 A 55 55 HIS HA H 140 4.935 4.295 0.640 1 1 167 . 18 1 1 A 55 55 HIS CA C 140 54.209 56.417 -2.208 1 1 168 . 18 1 1 A 55 55 HIS CB C 140 29.326 29.291 0.035 1 1 170 . 18 1 1 A 55 55 HIS N N 140 122.048 126.543 -4.495 1 1 171 . 18 1 1 A 56 56 PHE H H 141 10.205 7.956 2.249 1 1 172 . 18 1 1 A 56 56 PHE HA H 141 4.360 3.948 0.412 1 1 175 . 18 1 1 A 56 56 PHE CA C 141 59.367 59.917 -0.550 1 1 176 . 18 1 1 A 56 56 PHE CB C 141 41.594 37.898 3.696 1 1 177 . 18 1 1 A 56 56 PHE N N 141 124.145 123.473 0.672 1 1 178 . 18 1 1 A 57 57 GLY H H 142 9.008 7.989 1.019 1 1 179 . 18 1 1 A 57 57 GLY HA2 H 142 3.835 3.908 -0.073 1 1 180 . 18 1 1 A 57 57 GLY HA3 H 142 4.168 3.926 0.242 1 1 181 . 18 1 1 A 57 57 GLY CA C 142 45.777 47.083 -1.306 1 1 182 . 18 1 1 A 57 57 GLY N N 142 108.268 108.915 -0.647 1 1 183 . 18 1 1 A 58 58 SER H H 143 7.327 8.006 -0.679 1 1 184 . 18 1 1 A 58 58 SER HA H 143 4.820 4.504 0.316 1 1 187 . 18 1 1 A 58 58 SER CA C 143 56.405 58.415 -2.010 1 1 188 . 18 1 1 A 58 58 SER CB C 143 66.034 64.452 1.582 1 1 189 . 18 1 1 A 58 58 SER N N 143 111.827 114.839 -3.012 1 1 190 . 18 1 1 A 59 59 ASP H H 144 9.051 8.937 0.114 1 1 191 . 18 1 1 A 59 59 ASP HA H 144 4.502 4.249 0.253 1 1 194 . 18 1 1 A 59 59 ASP CA C 144 57.676 57.236 0.440 1 1 195 . 18 1 1 A 59 59 ASP CB C 144 40.505 40.103 0.402 1 1 196 . 18 1 1 A 59 59 ASP N N 144 124.541 124.544 -0.003 1 1 197 . 18 1 1 A 60 60 TYR H H 145 8.571 7.735 0.836 1 1 198 . 18 1 1 A 60 60 TYR HA H 145 4.197 4.299 -0.102 1 1 205 . 18 1 1 A 60 60 TYR CA C 145 61.232 61.429 -0.197 1 1 206 . 18 1 1 A 60 60 TYR CB C 145 37.912 37.925 -0.013 1 1 209 . 18 1 1 A 60 60 TYR N N 145 118.914 119.398 -0.484 1 1 210 . 18 1 1 A 61 61 GLU H H 146 7.737 8.536 -0.799 1 1 211 . 18 1 1 A 61 61 GLU HA H 146 3.590 4.119 -0.529 1 1 216 . 18 1 1 A 61 61 GLU CA C 146 59.607 59.980 -0.373 1 1 217 . 18 1 1 A 61 61 GLU CB C 146 30.059 29.222 0.837 1 1 219 . 18 1 1 A 61 61 GLU N N 146 118.985 119.432 -0.447 1 1 220 . 18 1 1 A 62 62 ASP H H 147 8.213 8.684 -0.471 1 1 221 . 18 1 1 A 62 62 ASP HA H 147 4.666 4.561 0.105 1 1 224 . 18 1 1 A 62 62 ASP CA C 147 58.292 56.963 1.329 1 1 225 . 18 1 1 A 62 62 ASP CB C 147 40.171 40.759 -0.588 1 1 226 . 18 1 1 A 62 62 ASP N N 147 119.785 120.100 -0.315 1 1 227 . 18 1 1 A 63 63 ARG H H 148 8.229 7.885 0.344 1 1 228 . 18 1 1 A 63 63 ARG HA H 148 4.016 4.097 -0.081 1 1 236 . 18 1 1 A 63 63 ARG CA C 148 59.611 59.809 -0.198 1 1 237 . 18 1 1 A 63 63 ARG CB C 148 30.059 30.134 -0.075 1 1 240 . 18 1 1 A 63 63 ARG N N 148 120.339 120.490 -0.151 1 1 242 . 18 1 1 A 64 64 TYR H H 149 8.340 7.981 0.359 1 1 243 . 18 1 1 A 64 64 TYR HA H 149 3.829 4.340 -0.511 1 1 250 . 18 1 1 A 64 64 TYR CA C 149 61.991 60.912 1.079 1 1 251 . 18 1 1 A 64 64 TYR CB C 149 38.417 38.557 -0.140 1 1 254 . 18 1 1 A 64 64 TYR N N 149 121.093 120.413 0.680 1 1 255 . 18 1 1 A 65 65 TYR H H 150 8.979 8.794 0.185 1 1 256 . 18 1 1 A 65 65 TYR HA H 150 4.132 4.590 -0.458 1 1 263 . 18 1 1 A 65 65 TYR CA C 150 62.691 61.433 1.258 1 1 264 . 18 1 1 A 65 65 TYR CB C 150 38.025 38.780 -0.755 1 1 267 . 18 1 1 A 65 65 TYR N N 150 120.575 120.446 0.129 1 1 268 . 18 1 1 A 66 66 ARG H H 151 7.997 8.274 -0.277 1 1 269 . 18 1 1 A 66 66 ARG HA H 151 3.925 3.891 0.034 1 1 277 . 18 1 1 A 66 66 ARG CA C 151 60.050 59.373 0.677 1 1 278 . 18 1 1 A 66 66 ARG CB C 151 29.901 29.708 0.193 1 1 281 . 18 1 1 A 66 66 ARG N N 151 117.799 118.978 -1.179 1 1 283 . 18 1 1 A 67 67 GLU H H 152 8.076 8.337 -0.261 1 1 284 . 18 1 1 A 67 67 GLU HA H 152 4.082 4.175 -0.093 1 1 289 . 18 1 1 A 67 67 GLU CA C 152 58.125 57.890 0.235 1 1 290 . 18 1 1 A 67 67 GLU CB C 152 29.743 29.895 -0.152 1 1 292 . 18 1 1 A 67 67 GLU N N 152 116.601 117.530 -0.929 1 1 293 . 18 1 1 A 68 68 ASN H H 153 7.621 7.905 -0.284 1 1 294 . 18 1 1 A 68 68 ASN HA H 153 4.321 4.594 -0.273 1 1 299 . 18 1 1 A 68 68 ASN CA C 153 54.958 55.504 -0.546 1 1 300 . 18 1 1 A 68 68 ASN CB C 153 41.041 38.598 2.443 1 1 301 . 18 1 1 A 68 68 ASN N N 153 114.623 117.028 -2.405 1 1 303 . 18 1 1 A 69 69 MET H H 154 8.105 8.272 -0.167 1 1 304 . 18 1 1 A 69 69 MET HA H 154 3.458 4.013 -0.555 1 1 312 . 18 1 1 A 69 69 MET CA C 154 59.104 57.883 1.221 1 1 313 . 18 1 1 A 69 69 MET CB C 154 30.533 32.028 -1.495 1 1 316 . 18 1 1 A 69 69 MET N N 154 119.633 117.825 1.808 1 1 317 . 18 1 1 A 70 70 HIS H H 155 8.070 7.841 0.229 1 1 319 . 18 1 1 A 70 70 HIS CA C 155 57.650 59.035 -1.385 1 1 320 . 18 1 1 A 70 70 HIS CB C 155 27.591 30.491 -2.900 1 1 322 . 18 1 1 A 70 70 HIS N N 155 115.018 118.138 -3.120 1 1 323 . 18 1 1 A 71 71 ARG H H 156 7.618 7.768 -0.150 1 1 325 . 18 1 1 A 71 71 ARG CA C 156 56.278 55.405 0.873 1 1 326 . 18 1 1 A 71 71 ARG CB C 156 30.770 30.826 -0.056 1 1 329 . 18 1 1 A 71 71 ARG N N 156 118.197 116.468 1.729 1 1 331 . 18 1 1 A 72 72 TYR H H 157 7.473 7.889 -0.416 1 1 332 . 18 1 1 A 72 72 TYR HA H 157 5.034 4.668 0.366 1 1 339 . 18 1 1 A 72 72 TYR CA C 157 52.768 56.642 -3.874 1 1 340 . 18 1 1 A 72 72 TYR CB C 157 35.150 38.487 -3.337 1 1 343 . 18 1 1 A 72 72 TYR N N 157 120.873 119.199 1.674 1 1 344 . 18 1 1 A 73 73 PRO HA H 158 4.425 4.481 -0.056 1 1 351 . 18 1 1 A 73 73 PRO CA C 158 63.737 62.875 0.862 1 1 352 . 18 1 1 A 73 73 PRO CB C 158 32.071 31.981 0.090 1 1 355 . 18 1 1 A 74 74 ASN H H 159 8.562 8.517 0.045 1 1 356 . 18 1 1 A 74 74 ASN HA H 159 4.708 4.795 -0.087 1 1 361 . 18 1 1 A 74 74 ASN CA C 159 51.965 52.338 -0.373 1 1 362 . 18 1 1 A 74 74 ASN CB C 159 37.898 38.547 -0.649 1 1 363 . 18 1 1 A 74 74 ASN N N 159 116.213 120.244 -4.031 1 1 365 . 18 1 1 A 75 75 GLN H H 160 7.302 7.469 -0.167 1 1 366 . 18 1 1 A 75 75 GLN HA H 160 4.479 4.635 -0.156 1 1 371 . 18 1 1 A 75 75 GLN CA C 160 54.184 55.490 -1.306 1 1 372 . 18 1 1 A 75 75 GLN CB C 160 34.167 32.107 2.060 1 1 373 . 18 1 1 A 75 75 GLN N N 160 114.122 119.270 -5.148 1 1 375 . 18 1 1 A 76 76 VAL H H 161 8.635 8.735 -0.100 1 1 376 . 18 1 1 A 76 76 VAL HA H 161 4.916 4.998 -0.082 1 1 384 . 18 1 1 A 76 76 VAL CA C 161 58.557 60.203 -1.646 1 1 385 . 18 1 1 A 76 76 VAL CB C 161 33.635 34.904 -1.269 1 1 388 . 18 1 1 A 76 76 VAL N N 161 112.903 118.398 -5.495 1 1 389 . 18 1 1 A 77 77 TYR H H 162 8.554 9.091 -0.537 1 1 390 . 18 1 1 A 77 77 TYR HA H 162 5.440 5.088 0.352 1 1 397 . 18 1 1 A 77 77 TYR CA C 162 57.057 58.280 -1.223 1 1 398 . 18 1 1 A 77 77 TYR CB C 162 42.147 40.123 2.024 1 1 401 . 18 1 1 A 77 77 TYR N N 162 120.972 126.948 -5.976 1 1 402 . 18 1 1 A 78 78 TYR H H 163 8.686 8.817 -0.131 1 1 403 . 18 1 1 A 78 78 TYR HA H 163 4.797 4.993 -0.196 1 1 410 . 18 1 1 A 78 78 TYR CA C 163 55.484 56.547 -1.063 1 1 413 . 18 1 1 A 78 78 TYR N N 163 111.059 128.397 -17.338 1 1 429 . 18 1 1 A 86 86 ASN HA H 171 4.733 5.131 -0.398 1 1 434 . 18 1 1 A 86 86 ASN CA C 171 52.388 52.279 0.109 1 1 435 . 18 1 1 A 86 86 ASN CB C 171 39.935 40.903 -0.968 1 1 437 . 18 1 1 A 87 87 GLN H H 172 8.740 9.157 -0.417 1 1 440 . 18 1 1 A 87 87 GLN CA C 172 59.906 59.327 0.579 1 1 441 . 18 1 1 A 87 87 GLN CB C 172 29.065 28.497 0.568 1 1 443 . 18 1 1 A 87 87 GLN N N 172 121.279 122.319 -1.040 1 1 445 . 18 1 1 A 88 88 ASN H H 173 8.427 8.098 0.329 1 1 446 . 18 1 1 A 88 88 ASN HA H 173 4.255 4.389 -0.134 1 1 451 . 18 1 1 A 88 88 ASN CA C 173 56.396 56.080 0.316 1 1 452 . 18 1 1 A 88 88 ASN CB C 173 37.912 38.027 -0.115 1 1 453 . 18 1 1 A 88 88 ASN N N 173 116.210 118.569 -2.359 1 1 455 . 18 1 1 A 89 89 ASN H H 174 8.542 8.061 0.481 1 1 456 . 18 1 1 A 89 89 ASN HA H 174 4.509 4.390 0.119 1 1 461 . 18 1 1 A 89 89 ASN CA C 174 56.013 55.911 0.102 1 1 462 . 18 1 1 A 89 89 ASN CB C 174 38.359 38.240 0.119 1 1 463 . 18 1 1 A 89 89 ASN N N 174 118.573 117.495 1.078 1 1 465 . 18 1 1 A 90 90 PHE H H 175 8.113 7.918 0.195 1 1 466 . 18 1 1 A 90 90 PHE CA C 175 61.432 61.527 -0.095 1 1 467 . 18 1 1 A 90 90 PHE N N 175 120.437 120.433 0.004 1 1 468 . 18 1 1 A 91 91 VAL H H 176 9.215 8.137 1.078 1 1 469 . 18 1 1 A 91 91 VAL HA H 176 3.608 3.260 0.348 1 1 477 . 18 1 1 A 91 91 VAL CA C 176 67.888 66.361 1.527 1 1 478 . 18 1 1 A 91 91 VAL CB C 176 32.042 31.492 0.550 1 1 480 . 18 1 1 A 91 91 VAL N N 176 120.071 118.712 1.359 1 1 481 . 18 1 1 A 92 92 HIS H H 177 8.497 7.536 0.961 1 1 482 . 18 1 1 A 92 92 HIS HA H 177 4.353 4.225 0.128 1 1 485 . 18 1 1 A 92 92 HIS CA C 177 59.251 59.420 -0.169 1 1 486 . 18 1 1 A 92 92 HIS CB C 177 28.104 29.627 -1.523 1 1 487 . 18 1 1 A 92 92 HIS N N 177 117.399 118.354 -0.955 1 1 488 . 18 1 1 A 93 93 ASN H H 178 7.860 8.506 -0.646 1 1 489 . 18 1 1 A 93 93 ASN HA H 178 4.521 4.438 0.083 1 1 494 . 18 1 1 A 93 93 ASN CA C 178 56.244 56.229 0.015 1 1 495 . 18 1 1 A 93 93 ASN CB C 178 37.934 37.557 0.377 1 1 496 . 18 1 1 A 93 93 ASN N N 178 116.474 116.566 -0.092 1 1 498 . 18 1 1 A 94 94 CYS H H 179 8.133 8.054 0.079 1 1 499 . 18 1 1 A 94 94 CYS CA C 179 58.595 62.908 -4.313 1 1 500 . 18 1 1 A 94 94 CYS CB C 179 40.911 26.971 13.940 1 1 501 . 18 1 1 A 94 94 CYS N N 179 120.418 118.951 1.467 1 1 502 . 18 1 1 A 95 95 VAL H H 180 9.280 7.456 1.824 1 1 503 . 18 1 1 A 95 95 VAL HA H 180 3.654 3.549 0.105 1 1 511 . 18 1 1 A 95 95 VAL CA C 180 66.400 67.001 -0.601 1 1 512 . 18 1 1 A 95 95 VAL CB C 180 31.912 31.580 0.332 1 1 515 . 18 1 1 A 95 95 VAL N N 180 125.212 121.230 3.982 1 1 516 . 18 1 1 A 96 96 ASN H H 181 7.696 8.096 -0.400 1 1 517 . 18 1 1 A 96 96 ASN HA H 181 4.321 4.487 -0.166 1 1 522 . 18 1 1 A 96 96 ASN CA C 181 56.419 56.493 -0.074 1 1 523 . 18 1 1 A 96 96 ASN CB C 181 38.654 39.017 -0.363 1 1 524 . 18 1 1 A 96 96 ASN N N 181 115.816 118.818 -3.002 1 1 526 . 18 1 1 A 97 97 ILE H H 182 8.385 7.356 1.029 1 1 527 . 18 1 1 A 97 97 ILE HA H 182 3.726 3.626 0.100 1 1 537 . 18 1 1 A 97 97 ILE CA C 182 62.446 65.191 -2.745 1 1 538 . 18 1 1 A 97 97 ILE CB C 182 36.464 37.819 -1.355 1 1 542 . 18 1 1 A 97 97 ILE N N 182 118.191 119.937 -1.746 1 1 543 . 18 1 1 A 98 98 THR H H 183 8.157 8.141 0.016 1 1 544 . 18 1 1 A 98 98 THR HA H 183 4.078 4.172 -0.094 1 1 549 . 18 1 1 A 98 98 THR CA C 183 68.807 66.944 1.863 1 1 550 . 18 1 1 A 98 98 THR CB C 183 68.239 68.742 -0.503 1 1 552 . 18 1 1 A 98 98 THR N N 183 117.797 116.245 1.552 1 1 553 . 18 1 1 A 99 99 ILE H H 184 8.528 7.863 0.665 1 1 554 . 18 1 1 A 99 99 ILE HA H 184 3.727 3.715 0.012 1 1 564 . 18 1 1 A 99 99 ILE CA C 184 65.621 65.179 0.442 1 1 565 . 18 1 1 A 99 99 ILE CB C 184 36.531 37.170 -0.639 1 1 569 . 18 1 1 A 99 99 ILE N N 184 120.576 121.153 -0.577 1 1 570 . 18 1 1 A 100 100 LYS H H 185 7.953 8.122 -0.169 1 1 571 . 18 1 1 A 100 100 LYS HA H 185 4.068 3.981 0.087 1 1 580 . 18 1 1 A 100 100 LYS CA C 185 59.636 59.832 -0.196 1 1 581 . 18 1 1 A 100 100 LYS CB C 185 31.989 32.605 -0.616 1 1 585 . 18 1 1 A 100 100 LYS N N 185 122.562 121.904 0.658 1 1 586 . 18 1 1 A 101 101 GLN H H 186 8.376 7.593 0.783 1 1 589 . 18 1 1 A 101 101 GLN CA C 186 57.741 58.678 -0.937 1 1 590 . 18 1 1 A 101 101 GLN N N 186 116.213 118.493 -2.280 1 1 592 . 18 1 1 A 102 102 HIS H H 187 8.199 7.954 0.245 1 1 593 . 18 1 1 A 102 102 HIS HA H 187 4.593 4.339 0.254 1 1 596 . 18 1 1 A 102 102 HIS CA C 187 59.062 59.401 -0.339 1 1 597 . 18 1 1 A 102 102 HIS CB C 187 30.384 30.545 -0.161 1 1 598 . 18 1 1 A 102 102 HIS N N 187 118.199 121.374 -3.175 1 1 599 . 18 1 1 A 103 103 THR H H 188 8.245 8.356 -0.111 1 1 600 . 18 1 1 A 103 103 THR HA H 188 4.184 4.147 0.037 1 1 605 . 18 1 1 A 103 103 THR CA C 188 65.017 65.224 -0.207 1 1 606 . 18 1 1 A 103 103 THR CB C 188 69.167 68.811 0.356 1 1 608 . 18 1 1 A 103 103 THR N N 188 113.748 113.612 0.136 1 1 609 . 18 1 1 A 104 104 VAL H H 189 8.013 7.976 0.037 1 1 610 . 18 1 1 A 104 104 VAL HA H 189 4.004 3.675 0.329 1 1 618 . 18 1 1 A 104 104 VAL CA C 189 65.151 66.404 -1.253 1 1 619 . 18 1 1 A 104 104 VAL CB C 189 31.743 31.095 0.648 1 1 622 . 18 1 1 A 104 104 VAL N N 189 122.142 120.068 2.074 1 1 623 . 18 1 1 A 105 105 THR H H 190 8.092 8.088 0.004 1 1 624 . 18 1 1 A 105 105 THR HA H 190 4.250 4.037 0.213 1 1 629 . 18 1 1 A 105 105 THR CA C 190 64.314 65.680 -1.366 1 1 630 . 18 1 1 A 105 105 THR CB C 190 69.159 68.426 0.733 1 1 632 . 18 1 1 A 105 105 THR N N 190 115.022 115.610 -0.588 1 1 633 . 18 1 1 A 106 106 THR H H 191 8.017 8.265 -0.248 1 1 634 . 18 1 1 A 106 106 THR HA H 191 4.214 4.163 0.051 1 1 639 . 18 1 1 A 106 106 THR CA C 191 63.874 65.275 -1.401 1 1 640 . 18 1 1 A 106 106 THR CB C 191 69.009 68.441 0.568 1 1 642 . 18 1 1 A 106 106 THR N N 191 114.622 113.752 0.870 1 1 643 . 18 1 1 A 107 107 THR H H 192 8.194 8.049 0.145 1 1 644 . 18 1 1 A 107 107 THR CA C 192 64.201 65.863 -1.662 1 1 645 . 18 1 1 A 107 107 THR CB C 192 69.159 68.733 0.426 1 1 647 . 18 1 1 A 107 107 THR N N 192 116.611 116.148 0.463 1 1 648 . 18 1 1 A 108 108 THR H H 193 7.932 7.933 -0.001 1 1 649 . 18 1 1 A 108 108 THR CA C 193 63.871 65.213 -1.342 1 1 650 . 18 1 1 A 108 108 THR CB C 193 69.002 69.210 -0.208 1 1 652 . 18 1 1 A 108 108 THR N N 193 116.096 115.945 0.151 1 1 653 . 18 1 1 A 109 109 LYS H H 194 7.821 8.071 -0.250 1 1 654 . 18 1 1 A 109 109 LYS HA H 194 4.364 4.260 0.104 1 1 663 . 18 1 1 A 109 109 LYS CA C 194 56.285 55.885 0.400 1 1 664 . 18 1 1 A 109 109 LYS CB C 194 32.636 32.861 -0.225 1 1 668 . 18 1 1 A 109 109 LYS N N 194 120.975 117.940 3.035 1 1 669 . 18 1 1 A 110 110 GLY H H 195 8.109 8.067 0.042 1 1 670 . 18 1 1 A 110 110 GLY HA2 H 195 3.858 3.879 -0.021 1 1 671 . 18 1 1 A 110 110 GLY HA3 H 195 4.083 3.881 0.202 1 1 672 . 18 1 1 A 110 110 GLY CA C 195 45.511 46.390 -0.879 1 1 673 . 18 1 1 A 110 110 GLY N N 195 108.675 109.412 -0.737 1 1 674 . 18 1 1 A 111 111 GLU H H 196 7.706 7.925 -0.219 1 1 675 . 18 1 1 A 111 111 GLU HA H 196 4.258 4.767 -0.509 1 1 680 . 18 1 1 A 111 111 GLU CA C 196 55.837 54.575 1.262 1 1 681 . 18 1 1 A 111 111 GLU CB C 196 30.673 32.976 -2.303 1 1 683 . 18 1 1 A 111 111 GLU N N 196 120.028 119.446 0.582 1 1 684 . 18 1 1 A 112 112 ASN H H 197 8.460 8.489 -0.029 1 1 685 . 18 1 1 A 112 112 ASN HA H 197 4.668 5.383 -0.715 1 1 690 . 18 1 1 A 112 112 ASN CA C 197 52.923 51.719 1.204 1 1 691 . 18 1 1 A 112 112 ASN CB C 197 40.491 41.783 -1.292 1 1 692 . 18 1 1 A 112 112 ASN N N 197 119.716 117.726 1.990 1 1 694 . 18 1 1 A 113 113 PHE H H 198 8.655 8.686 -0.031 1 1 695 . 18 1 1 A 113 113 PHE HA H 198 5.262 5.105 0.157 1 1 698 . 18 1 1 A 113 113 PHE CA C 198 56.640 56.794 -0.154 1 1 699 . 18 1 1 A 113 113 PHE CB C 198 39.899 42.731 -2.832 1 1 700 . 18 1 1 A 113 113 PHE N N 198 122.046 117.256 4.790 1 1 701 . 18 1 1 A 114 114 THR H H 199 9.506 8.898 0.608 1 1 702 . 18 1 1 A 114 114 THR HA H 199 4.625 4.886 -0.261 1 1 707 . 18 1 1 A 114 114 THR CA C 199 60.305 60.092 0.213 1 1 708 . 18 1 1 A 114 114 THR CB C 199 72.033 71.710 0.323 1 1 710 . 18 1 1 A 114 114 THR N N 199 116.124 114.751 1.373 1 1 711 . 18 1 1 A 115 115 GLU H H 200 9.120 9.044 0.076 1 1 712 . 18 1 1 A 115 115 GLU HA H 200 4.051 4.079 -0.028 1 1 717 . 18 1 1 A 115 115 GLU CA C 200 59.877 59.127 0.750 1 1 718 . 18 1 1 A 115 115 GLU CB C 200 28.787 29.131 -0.344 1 1 720 . 18 1 1 A 115 115 GLU N N 200 119.993 120.697 -0.704 1 1 721 . 18 1 1 A 116 116 THR H H 201 7.955 7.728 0.227 1 1 722 . 18 1 1 A 116 116 THR HA H 201 3.794 3.979 -0.185 1 1 727 . 18 1 1 A 116 116 THR CA C 201 66.734 66.668 0.066 1 1 728 . 18 1 1 A 116 116 THR CB C 201 68.624 68.978 -0.354 1 1 730 . 18 1 1 A 116 116 THR N N 201 116.160 117.129 -0.969 1 1 731 . 18 1 1 A 117 117 ASP H H 202 7.505 8.204 -0.699 1 1 732 . 18 1 1 A 117 117 ASP HA H 202 4.577 4.500 0.077 1 1 735 . 18 1 1 A 117 117 ASP CA C 202 58.057 57.614 0.443 1 1 736 . 18 1 1 A 117 117 ASP CB C 202 41.747 41.627 0.120 1 1 737 . 18 1 1 A 117 117 ASP N N 202 120.175 121.257 -1.082 1 1 738 . 18 1 1 A 118 118 VAL H H 203 8.236 8.472 -0.236 1 1 739 . 18 1 1 A 118 118 VAL HA H 203 3.324 3.598 -0.274 1 1 747 . 18 1 1 A 118 118 VAL CA C 203 67.799 64.895 2.904 1 1 748 . 18 1 1 A 118 118 VAL CB C 203 31.269 30.674 0.595 1 1 751 . 18 1 1 A 118 118 VAL N N 203 119.654 118.446 1.208 1 1 752 . 18 1 1 A 119 119 LYS H H 204 7.740 7.841 -0.101 1 1 753 . 18 1 1 A 119 119 LYS HA H 204 4.090 3.909 0.181 1 1 762 . 18 1 1 A 119 119 LYS CA C 204 59.368 59.251 0.117 1 1 763 . 18 1 1 A 119 119 LYS CB C 204 32.165 31.842 0.323 1 1 767 . 18 1 1 A 119 119 LYS N N 204 119.288 121.247 -1.959 1 1 768 . 18 1 1 A 120 120 MET H H 205 8.235 7.972 0.263 1 1 769 . 18 1 1 A 120 120 MET HA H 205 4.158 4.117 0.041 1 1 777 . 18 1 1 A 120 120 MET CA C 205 59.819 58.682 1.137 1 1 778 . 18 1 1 A 120 120 MET CB C 205 33.078 32.914 0.164 1 1 781 . 18 1 1 A 120 120 MET N N 205 118.767 118.627 0.140 1 1 782 . 18 1 1 A 121 121 MET H H 206 8.755 8.008 0.747 1 1 783 . 18 1 1 A 121 121 MET HA H 206 3.580 4.154 -0.574 1 1 791 . 18 1 1 A 121 121 MET CA C 206 59.639 58.361 1.278 1 1 792 . 18 1 1 A 121 121 MET CB C 206 32.777 32.410 0.367 1 1 795 . 18 1 1 A 121 121 MET N N 206 118.428 118.298 0.130 1 1 796 . 18 1 1 A 122 122 GLU H H 207 8.419 7.671 0.748 1 1 797 . 18 1 1 A 122 122 GLU HA H 207 3.688 3.950 -0.262 1 1 802 . 18 1 1 A 122 122 GLU CA C 207 60.390 59.404 0.986 1 1 803 . 18 1 1 A 122 122 GLU CB C 207 28.448 29.206 -0.758 1 1 805 . 18 1 1 A 122 122 GLU N N 207 118.469 118.260 0.209 1 1 806 . 18 1 1 A 123 123 ARG H H 208 7.344 7.708 -0.364 1 1 807 . 18 1 1 A 123 123 ARG HA H 208 4.163 4.063 0.100 1 1 815 . 18 1 1 A 123 123 ARG CA C 208 58.537 58.922 -0.385 1 1 816 . 18 1 1 A 123 123 ARG CB C 208 29.925 29.747 0.178 1 1 819 . 18 1 1 A 123 123 ARG N N 208 116.990 120.990 -4.000 1 1 821 . 18 1 1 A 124 124 VAL H H 209 8.299 7.643 0.656 1 1 822 . 18 1 1 A 124 124 VAL HA H 209 3.798 3.723 0.075 1 1 830 . 18 1 1 A 124 124 VAL CA C 209 65.995 65.951 0.044 1 1 831 . 18 1 1 A 124 124 VAL CB C 209 32.075 31.741 0.334 1 1 834 . 18 1 1 A 124 124 VAL N N 209 119.301 119.266 0.035 1 1 835 . 18 1 1 A 125 125 VAL H H 210 9.016 8.264 0.752 1 1 836 . 18 1 1 A 125 125 VAL HA H 210 3.643 3.631 0.012 1 1 844 . 18 1 1 A 125 125 VAL CA C 210 66.591 66.584 0.007 1 1 845 . 18 1 1 A 125 125 VAL CB C 210 31.836 31.550 0.286 1 1 848 . 18 1 1 A 125 125 VAL N N 210 121.312 121.217 0.095 1 1 849 . 18 1 1 A 126 126 GLU H H 211 8.153 8.067 0.086 1 1 850 . 18 1 1 A 126 126 GLU HA H 211 3.622 4.035 -0.413 1 1 855 . 18 1 1 A 126 126 GLU CA C 211 60.997 59.485 1.512 1 1 856 . 18 1 1 A 126 126 GLU CB C 211 28.921 29.230 -0.309 1 1 858 . 18 1 1 A 126 126 GLU N N 211 120.456 119.691 0.765 1 1 859 . 18 1 1 A 127 127 GLN H H 212 7.274 8.090 -0.816 1 1 862 . 18 1 1 A 127 127 GLN CA C 212 58.803 59.138 -0.335 1 1 863 . 18 1 1 A 127 127 GLN N N 212 115.025 118.838 -3.813 1 1 865 . 18 1 1 A 128 128 MET H H 213 8.324 7.840 0.484 1 1 866 . 18 1 1 A 128 128 MET HA H 213 4.146 4.179 -0.033 1 1 872 . 18 1 1 A 128 128 MET CA C 213 59.976 58.716 1.260 1 1 873 . 18 1 1 A 128 128 MET CB C 213 31.911 32.223 -0.312 1 1 875 . 18 1 1 A 128 128 MET N N 213 119.344 118.470 0.874 1 1 876 . 18 1 1 A 129 129 CYS H H 214 9.219 8.084 1.135 1 1 877 . 18 1 1 A 129 129 CYS CA C 214 59.821 63.715 -3.894 1 1 878 . 18 1 1 A 129 129 CYS N N 214 118.992 117.509 1.483 1 1 879 . 18 1 1 A 130 130 ILE H H 215 8.340 7.961 0.379 1 1 880 . 18 1 1 A 130 130 ILE HA H 215 3.563 3.763 -0.200 1 1 890 . 18 1 1 A 130 130 ILE CA C 215 66.751 65.369 1.382 1 1 891 . 18 1 1 A 130 130 ILE CB C 215 37.814 37.447 0.367 1 1 895 . 18 1 1 A 130 130 ILE N N 215 123.750 120.689 3.061 1 1 896 . 18 1 1 A 131 131 THR H H 216 8.142 7.799 0.343 1 1 897 . 18 1 1 A 131 131 THR HA H 216 3.940 4.000 -0.060 1 1 902 . 18 1 1 A 131 131 THR CA C 216 66.898 66.502 0.396 1 1 903 . 18 1 1 A 131 131 THR CB C 216 69.608 68.208 1.400 1 1 905 . 18 1 1 A 131 131 THR N N 216 118.528 117.508 1.020 1 1 906 . 18 1 1 A 132 132 GLN H H 217 8.687 7.672 1.015 1 1 907 . 18 1 1 A 132 132 GLN HA H 217 3.688 3.895 -0.207 1 1 914 . 18 1 1 A 132 132 GLN CA C 217 58.527 58.000 0.527 1 1 915 . 18 1 1 A 132 132 GLN CB C 217 28.353 28.305 0.048 1 1 917 . 18 1 1 A 132 132 GLN N N 217 121.765 120.412 1.353 1 1 919 . 18 1 1 A 133 133 TYR HA H 218 4.532 4.994 -0.462 1 1 926 . 18 1 1 A 133 133 TYR CA C 218 55.867 56.258 -0.391 1 1 927 . 18 1 1 A 133 133 TYR CB C 218 37.912 40.454 -2.542 1 1 930 . 18 1 1 A 134 134 GLU H H 219 8.293 9.079 -0.786 1 1 931 . 18 1 1 A 134 134 GLU HA H 219 3.689 4.116 -0.427 1 1 936 . 18 1 1 A 134 134 GLU CA C 219 59.268 59.480 -0.212 1 1 937 . 18 1 1 A 134 134 GLU CB C 219 28.324 29.190 -0.866 1 1 939 . 18 1 1 A 134 134 GLU N N 219 120.400 124.651 -4.251 1 1 940 . 18 1 1 A 135 135 ARG H H 220 7.887 8.069 -0.182 1 1 941 . 18 1 1 A 135 135 ARG HA H 220 3.981 4.089 -0.108 1 1 949 . 18 1 1 A 135 135 ARG CA C 220 59.266 59.339 -0.073 1 1 950 . 18 1 1 A 135 135 ARG CB C 220 30.337 29.971 0.366 1 1 953 . 18 1 1 A 135 135 ARG N N 220 118.589 119.933 -1.344 1 1 955 . 18 1 1 A 137 137 SER HA H 222 3.954 4.145 -0.191 1 1 958 . 18 1 1 A 137 137 SER CA C 222 60.572 61.783 -1.211 1 1 959 . 18 1 1 A 137 137 SER CB C 222 62.761 63.011 -0.250 1 1 960 . 18 1 1 A 138 138 GLN H H 223 7.624 7.494 0.130 1 1 961 . 18 1 1 A 138 138 GLN HA H 223 4.153 4.406 -0.253 1 1 968 . 18 1 1 A 138 138 GLN CA C 223 57.658 58.024 -0.366 1 1 969 . 18 1 1 A 138 138 GLN CB C 223 28.370 27.546 0.824 1 1 971 . 18 1 1 A 138 138 GLN N N 223 120.575 120.750 -0.175 1 1 973 . 18 1 1 A 139 139 ALA H H 224 7.627 8.297 -0.670 1 1 974 . 18 1 1 A 139 139 ALA HA H 224 4.156 4.214 -0.058 1 1 978 . 18 1 1 A 139 139 ALA CA C 224 54.017 54.778 -0.761 1 1 979 . 18 1 1 A 139 139 ALA CB C 224 18.645 18.582 0.063 1 1 980 . 18 1 1 A 139 139 ALA N N 224 121.263 122.327 -1.064 1 1 981 . 18 1 1 A 140 140 TYR H H 225 8.048 8.470 -0.422 1 1 982 . 18 1 1 A 140 140 TYR HA H 225 4.204 4.417 -0.213 1 1 989 . 18 1 1 A 140 140 TYR CA C 225 59.890 60.533 -0.643 1 1 990 . 18 1 1 A 140 140 TYR CB C 225 38.994 36.998 1.996 1 1 993 . 18 1 1 A 140 140 TYR N N 225 118.980 117.257 1.723 1 1 994 . 18 1 1 A 141 141 TYR H H 226 7.948 7.896 0.052 1 1 995 . 18 1 1 A 141 141 TYR HA H 226 4.375 3.591 0.784 1 1 1002 . 18 1 1 A 141 141 TYR CA C 226 59.036 60.940 -1.904 1 1 1003 . 18 1 1 A 141 141 TYR CB C 226 38.060 38.370 -0.310 1 1 1006 . 18 1 1 A 141 141 TYR N N 226 118.596 122.080 -3.484 1 1 1007 . 18 1 1 A 142 142 GLN H H 227 7.941 7.798 0.143 1 1 1008 . 18 1 1 A 142 142 GLN HA H 227 4.240 4.417 -0.177 1 1 1015 . 18 1 1 A 142 142 GLN CA C 227 56.346 56.364 -0.018 1 1 1016 . 18 1 1 A 142 142 GLN CB C 227 28.912 28.208 0.704 1 1 1018 . 18 1 1 A 142 142 GLN N N 227 119.883 118.874 1.009 1 1 1020 . 18 1 1 A 143 143 ARG H H 228 7.966 8.924 -0.958 1 1 1021 . 18 1 1 A 143 143 ARG HA H 228 4.244 5.154 -0.910 1 1 1029 . 18 1 1 A 143 143 ARG CA C 228 56.719 54.796 1.923 1 1 1030 . 18 1 1 A 143 143 ARG CB C 228 30.731 32.280 -1.549 1 1 1033 . 18 1 1 A 143 143 ARG N N 228 120.871 122.504 -1.633 1 1 1035 . 18 1 1 A 144 144 GLY H H 229 8.247 8.945 -0.698 1 1 1036 . 18 1 1 A 144 144 GLY HA2 H 229 3.992 4.331 -0.339 1 1 1037 . 18 1 1 A 144 144 GLY HA3 H 229 3.992 4.331 -0.339 1 1 1038 . 18 1 1 A 144 144 GLY CA C 229 45.359 44.505 0.854 1 1 1039 . 18 1 1 A 144 144 GLY N N 229 109.072 113.242 -4.170 1 1 1040 . 18 1 1 A 145 145 SER H H 230 8.139 8.919 -0.780 1 1 1041 . 18 1 1 A 145 145 SER HA H 230 4.506 4.534 -0.028 1 1 1044 . 18 1 1 A 145 145 SER CA C 230 58.123 58.448 -0.325 1 1 1045 . 18 1 1 A 145 145 SER CB C 230 63.878 63.057 0.821 1 1 1046 . 18 1 1 A 145 145 SER N N 230 115.684 119.697 -4.013 1 1 16 . 19 1 1 A 41 41 GLY H H 126 8.484 8.589 -0.105 1 1 17 . 19 1 1 A 41 41 GLY HA2 H 126 3.861 4.010 -0.149 1 1 18 . 19 1 1 A 41 41 GLY HA3 H 126 3.920 4.034 -0.114 1 1 19 . 19 1 1 A 41 41 GLY CA C 126 46.260 46.561 -0.301 1 1 20 . 19 1 1 A 41 41 GLY N N 126 109.470 111.008 -1.538 1 1 21 . 19 1 1 A 42 42 GLY H H 127 8.326 8.374 -0.048 1 1 22 . 19 1 1 A 42 42 GLY HA2 H 127 3.749 3.675 0.074 1 1 23 . 19 1 1 A 42 42 GLY HA3 H 127 3.900 3.870 0.030 1 1 24 . 19 1 1 A 42 42 GLY CA C 127 45.226 46.198 -0.972 1 1 25 . 19 1 1 A 42 42 GLY N N 127 109.020 108.868 0.152 1 1 26 . 19 1 1 A 43 43 TYR H H 128 7.692 7.489 0.203 1 1 27 . 19 1 1 A 43 43 TYR HA H 128 4.675 4.559 0.116 1 1 34 . 19 1 1 A 43 43 TYR CA C 128 57.271 58.050 -0.779 1 1 35 . 19 1 1 A 43 43 TYR CB C 128 40.257 39.732 0.525 1 1 38 . 19 1 1 A 43 43 TYR N N 128 117.301 119.379 -2.078 1 1 39 . 19 1 1 A 44 44 VAL H H 129 8.974 8.655 0.319 1 1 40 . 19 1 1 A 44 44 VAL HA H 129 4.344 4.653 -0.309 1 1 48 . 19 1 1 A 44 44 VAL CA C 129 59.555 62.258 -2.703 1 1 49 . 19 1 1 A 44 44 VAL CB C 129 34.728 32.960 1.768 1 1 52 . 19 1 1 A 44 44 VAL N N 129 118.589 122.537 -3.948 1 1 53 . 19 1 1 A 45 45 LEU H H 130 8.029 8.793 -0.764 1 1 62 . 19 1 1 A 45 45 LEU N N 130 123.350 128.357 -5.007 1 1 63 . 19 1 1 A 46 46 GLY H H 131 9.278 8.316 0.962 1 1 64 . 19 1 1 A 46 46 GLY CA C 131 44.842 46.115 -1.273 1 1 65 . 19 1 1 A 46 46 GLY N N 131 114.623 111.013 3.610 1 1 66 . 19 1 1 A 47 47 SER H H 132 8.315 7.747 0.568 1 1 67 . 19 1 1 A 47 47 SER HA H 132 4.438 4.603 -0.165 1 1 70 . 19 1 1 A 47 47 SER CA C 132 58.520 56.729 1.791 1 1 71 . 19 1 1 A 47 47 SER CB C 132 64.166 64.619 -0.453 1 1 72 . 19 1 1 A 47 47 SER N N 132 113.038 112.961 0.077 1 1 73 . 19 1 1 A 48 48 ALA H H 133 8.736 8.319 0.417 1 1 74 . 19 1 1 A 48 48 ALA HA H 133 4.425 4.548 -0.123 1 1 78 . 19 1 1 A 48 48 ALA CA C 133 53.090 51.859 1.231 1 1 79 . 19 1 1 A 48 48 ALA CB C 133 18.465 20.045 -1.580 1 1 80 . 19 1 1 A 48 48 ALA N N 133 125.270 124.390 0.880 1 1 81 . 19 1 1 A 49 49 MET H H 134 8.758 8.908 -0.150 1 1 82 . 19 1 1 A 49 49 MET HA H 134 4.754 5.197 -0.443 1 1 90 . 19 1 1 A 49 49 MET CA C 134 53.972 54.221 -0.249 1 1 91 . 19 1 1 A 49 49 MET CB C 134 37.222 36.662 0.560 1 1 94 . 19 1 1 A 49 49 MET N N 134 120.911 117.633 3.278 1 1 95 . 19 1 1 A 50 50 SER H H 135 8.430 8.739 -0.309 1 1 96 . 19 1 1 A 50 50 SER HA H 135 4.356 4.583 -0.227 1 1 99 . 19 1 1 A 50 50 SER CA C 135 58.630 57.696 0.934 1 1 100 . 19 1 1 A 50 50 SER CB C 135 63.575 64.015 -0.440 1 1 101 . 19 1 1 A 50 50 SER N N 135 116.162 119.135 -2.973 1 1 102 . 19 1 1 A 51 51 ARG H H 136 8.646 8.966 -0.320 1 1 103 . 19 1 1 A 51 51 ARG HA H 136 4.434 3.978 0.456 1 1 111 . 19 1 1 A 51 51 ARG CA C 136 54.863 56.827 -1.964 1 1 112 . 19 1 1 A 51 51 ARG CB C 136 30.519 28.758 1.761 1 1 115 . 19 1 1 A 51 51 ARG N N 136 126.460 127.137 -0.677 1 1 117 . 19 1 1 A 52 52 PRO HA H 137 4.413 4.473 -0.060 1 1 124 . 19 1 1 A 52 52 PRO CA C 137 62.198 64.307 -2.109 1 1 125 . 19 1 1 A 52 52 PRO CB C 137 32.165 31.577 0.588 1 1 128 . 19 1 1 A 53 53 ILE H H 138 8.647 7.422 1.225 1 1 129 . 19 1 1 A 53 53 ILE HA H 138 4.160 3.999 0.161 1 1 139 . 19 1 1 A 53 53 ILE CA C 138 60.851 61.215 -0.364 1 1 140 . 19 1 1 A 53 53 ILE CB C 138 36.101 37.708 -1.607 1 1 144 . 19 1 1 A 53 53 ILE N N 138 122.534 118.048 4.486 1 1 145 . 19 1 1 A 54 54 ILE H H 139 6.485 8.695 -2.210 1 1 146 . 19 1 1 A 54 54 ILE HA H 139 3.926 4.934 -1.008 1 1 156 . 19 1 1 A 54 54 ILE CA C 139 58.665 58.506 0.159 1 1 157 . 19 1 1 A 54 54 ILE CB C 139 39.251 40.827 -1.576 1 1 161 . 19 1 1 A 54 54 ILE N N 139 126.733 128.742 -2.009 1 1 162 . 19 1 1 A 55 55 HIS H H 140 8.249 8.473 -0.224 1 1 163 . 19 1 1 A 55 55 HIS HA H 140 4.935 4.142 0.793 1 1 167 . 19 1 1 A 55 55 HIS CA C 140 54.209 56.939 -2.730 1 1 168 . 19 1 1 A 55 55 HIS CB C 140 29.326 29.628 -0.302 1 1 170 . 19 1 1 A 55 55 HIS N N 140 122.048 124.813 -2.765 1 1 171 . 19 1 1 A 56 56 PHE H H 141 10.205 8.427 1.778 1 1 172 . 19 1 1 A 56 56 PHE HA H 141 4.360 3.913 0.447 1 1 175 . 19 1 1 A 56 56 PHE CA C 141 59.367 60.879 -1.512 1 1 176 . 19 1 1 A 56 56 PHE CB C 141 41.594 39.363 2.231 1 1 177 . 19 1 1 A 56 56 PHE N N 141 124.145 124.229 -0.084 1 1 178 . 19 1 1 A 57 57 GLY H H 142 9.008 8.543 0.465 1 1 179 . 19 1 1 A 57 57 GLY HA2 H 142 3.835 4.055 -0.220 1 1 180 . 19 1 1 A 57 57 GLY HA3 H 142 4.168 4.079 0.089 1 1 181 . 19 1 1 A 57 57 GLY CA C 142 45.777 45.502 0.275 1 1 182 . 19 1 1 A 57 57 GLY N N 142 108.268 107.247 1.021 1 1 183 . 19 1 1 A 58 58 SER H H 143 7.327 8.078 -0.751 1 1 184 . 19 1 1 A 58 58 SER HA H 143 4.820 4.861 -0.041 1 1 187 . 19 1 1 A 58 58 SER CA C 143 56.405 57.575 -1.170 1 1 188 . 19 1 1 A 58 58 SER CB C 143 66.034 66.694 -0.660 1 1 189 . 19 1 1 A 58 58 SER N N 143 111.827 115.631 -3.804 1 1 190 . 19 1 1 A 59 59 ASP H H 144 9.051 9.241 -0.190 1 1 191 . 19 1 1 A 59 59 ASP HA H 144 4.502 4.220 0.282 1 1 194 . 19 1 1 A 59 59 ASP CA C 144 57.676 58.223 -0.547 1 1 195 . 19 1 1 A 59 59 ASP CB C 144 40.505 40.169 0.336 1 1 196 . 19 1 1 A 59 59 ASP N N 144 124.541 126.823 -2.282 1 1 197 . 19 1 1 A 60 60 TYR H H 145 8.571 8.374 0.197 1 1 198 . 19 1 1 A 60 60 TYR HA H 145 4.197 4.091 0.106 1 1 205 . 19 1 1 A 60 60 TYR CA C 145 61.232 62.223 -0.991 1 1 206 . 19 1 1 A 60 60 TYR CB C 145 37.912 38.767 -0.855 1 1 209 . 19 1 1 A 60 60 TYR N N 145 118.914 121.361 -2.447 1 1 210 . 19 1 1 A 61 61 GLU H H 146 7.737 8.386 -0.649 1 1 211 . 19 1 1 A 61 61 GLU HA H 146 3.590 4.191 -0.601 1 1 216 . 19 1 1 A 61 61 GLU CA C 146 59.607 59.810 -0.203 1 1 217 . 19 1 1 A 61 61 GLU CB C 146 30.059 29.209 0.850 1 1 219 . 19 1 1 A 61 61 GLU N N 146 118.985 118.239 0.746 1 1 220 . 19 1 1 A 62 62 ASP H H 147 8.213 8.540 -0.327 1 1 221 . 19 1 1 A 62 62 ASP HA H 147 4.666 4.521 0.145 1 1 224 . 19 1 1 A 62 62 ASP CA C 147 58.292 57.389 0.903 1 1 225 . 19 1 1 A 62 62 ASP CB C 147 40.171 41.655 -1.484 1 1 226 . 19 1 1 A 62 62 ASP N N 147 119.785 119.887 -0.102 1 1 227 . 19 1 1 A 63 63 ARG H H 148 8.229 7.706 0.523 1 1 228 . 19 1 1 A 63 63 ARG HA H 148 4.016 3.993 0.023 1 1 236 . 19 1 1 A 63 63 ARG CA C 148 59.611 59.675 -0.064 1 1 237 . 19 1 1 A 63 63 ARG CB C 148 30.059 29.944 0.115 1 1 240 . 19 1 1 A 63 63 ARG N N 148 120.339 118.988 1.351 1 1 242 . 19 1 1 A 64 64 TYR H H 149 8.340 8.425 -0.085 1 1 243 . 19 1 1 A 64 64 TYR HA H 149 3.829 4.310 -0.481 1 1 250 . 19 1 1 A 64 64 TYR CA C 149 61.991 60.775 1.216 1 1 251 . 19 1 1 A 64 64 TYR CB C 149 38.417 38.070 0.347 1 1 254 . 19 1 1 A 64 64 TYR N N 149 121.093 121.285 -0.192 1 1 255 . 19 1 1 A 65 65 TYR H H 150 8.979 8.497 0.482 1 1 256 . 19 1 1 A 65 65 TYR HA H 150 4.132 4.177 -0.045 1 1 263 . 19 1 1 A 65 65 TYR CA C 150 62.691 61.048 1.643 1 1 264 . 19 1 1 A 65 65 TYR CB C 150 38.025 39.051 -1.026 1 1 267 . 19 1 1 A 65 65 TYR N N 150 120.575 121.192 -0.617 1 1 268 . 19 1 1 A 66 66 ARG H H 151 7.997 8.202 -0.205 1 1 269 . 19 1 1 A 66 66 ARG HA H 151 3.925 3.830 0.095 1 1 277 . 19 1 1 A 66 66 ARG CA C 151 60.050 59.225 0.825 1 1 278 . 19 1 1 A 66 66 ARG CB C 151 29.901 29.681 0.220 1 1 281 . 19 1 1 A 66 66 ARG N N 151 117.799 118.778 -0.979 1 1 283 . 19 1 1 A 67 67 GLU H H 152 8.076 7.811 0.265 1 1 284 . 19 1 1 A 67 67 GLU HA H 152 4.082 4.084 -0.002 1 1 289 . 19 1 1 A 67 67 GLU CA C 152 58.125 58.318 -0.193 1 1 290 . 19 1 1 A 67 67 GLU CB C 152 29.743 29.497 0.246 1 1 292 . 19 1 1 A 67 67 GLU N N 152 116.601 117.894 -1.293 1 1 293 . 19 1 1 A 68 68 ASN H H 153 7.621 7.967 -0.346 1 1 294 . 19 1 1 A 68 68 ASN HA H 153 4.321 4.585 -0.264 1 1 299 . 19 1 1 A 68 68 ASN CA C 153 54.958 56.163 -1.205 1 1 300 . 19 1 1 A 68 68 ASN CB C 153 41.041 38.455 2.586 1 1 301 . 19 1 1 A 68 68 ASN N N 153 114.623 119.172 -4.549 1 1 303 . 19 1 1 A 69 69 MET H H 154 8.105 8.357 -0.252 1 1 304 . 19 1 1 A 69 69 MET HA H 154 3.458 4.071 -0.613 1 1 312 . 19 1 1 A 69 69 MET CA C 154 59.104 57.905 1.199 1 1 313 . 19 1 1 A 69 69 MET CB C 154 30.533 31.893 -1.360 1 1 316 . 19 1 1 A 69 69 MET N N 154 119.633 117.797 1.836 1 1 317 . 19 1 1 A 70 70 HIS H H 155 8.070 7.784 0.286 1 1 319 . 19 1 1 A 70 70 HIS CA C 155 57.650 58.743 -1.093 1 1 320 . 19 1 1 A 70 70 HIS CB C 155 27.591 30.071 -2.480 1 1 322 . 19 1 1 A 70 70 HIS N N 155 115.018 118.876 -3.858 1 1 323 . 19 1 1 A 71 71 ARG H H 156 7.618 7.898 -0.280 1 1 325 . 19 1 1 A 71 71 ARG CA C 156 56.278 55.964 0.314 1 1 326 . 19 1 1 A 71 71 ARG CB C 156 30.770 31.155 -0.385 1 1 329 . 19 1 1 A 71 71 ARG N N 156 118.197 116.106 2.091 1 1 331 . 19 1 1 A 72 72 TYR H H 157 7.473 7.887 -0.414 1 1 332 . 19 1 1 A 72 72 TYR HA H 157 5.034 4.695 0.339 1 1 339 . 19 1 1 A 72 72 TYR CA C 157 52.768 56.632 -3.864 1 1 340 . 19 1 1 A 72 72 TYR CB C 157 35.150 38.491 -3.341 1 1 343 . 19 1 1 A 72 72 TYR N N 157 120.873 118.905 1.968 1 1 344 . 19 1 1 A 73 73 PRO HA H 158 4.425 4.379 0.046 1 1 351 . 19 1 1 A 73 73 PRO CA C 158 63.737 62.588 1.149 1 1 352 . 19 1 1 A 73 73 PRO CB C 158 32.071 31.695 0.376 1 1 355 . 19 1 1 A 74 74 ASN H H 159 8.562 8.435 0.127 1 1 356 . 19 1 1 A 74 74 ASN HA H 159 4.708 4.728 -0.020 1 1 361 . 19 1 1 A 74 74 ASN CA C 159 51.965 52.285 -0.320 1 1 362 . 19 1 1 A 74 74 ASN CB C 159 37.898 38.673 -0.775 1 1 363 . 19 1 1 A 74 74 ASN N N 159 116.213 120.564 -4.351 1 1 365 . 19 1 1 A 75 75 GLN H H 160 7.302 7.491 -0.189 1 1 366 . 19 1 1 A 75 75 GLN HA H 160 4.479 4.600 -0.121 1 1 371 . 19 1 1 A 75 75 GLN CA C 160 54.184 54.374 -0.190 1 1 372 . 19 1 1 A 75 75 GLN CB C 160 34.167 32.354 1.813 1 1 373 . 19 1 1 A 75 75 GLN N N 160 114.122 118.046 -3.924 1 1 375 . 19 1 1 A 76 76 VAL H H 161 8.635 8.434 0.201 1 1 376 . 19 1 1 A 76 76 VAL HA H 161 4.916 4.711 0.205 1 1 384 . 19 1 1 A 76 76 VAL CA C 161 58.557 59.428 -0.871 1 1 385 . 19 1 1 A 76 76 VAL CB C 161 33.635 35.208 -1.573 1 1 388 . 19 1 1 A 76 76 VAL N N 161 112.903 117.646 -4.743 1 1 389 . 19 1 1 A 77 77 TYR H H 162 8.554 9.048 -0.494 1 1 390 . 19 1 1 A 77 77 TYR HA H 162 5.440 5.185 0.255 1 1 397 . 19 1 1 A 77 77 TYR CA C 162 57.057 56.041 1.016 1 1 398 . 19 1 1 A 77 77 TYR CB C 162 42.147 42.651 -0.504 1 1 401 . 19 1 1 A 77 77 TYR N N 162 120.972 123.348 -2.376 1 1 402 . 19 1 1 A 78 78 TYR H H 163 8.686 9.158 -0.472 1 1 403 . 19 1 1 A 78 78 TYR HA H 163 4.797 5.837 -1.040 1 1 410 . 19 1 1 A 78 78 TYR CA C 163 55.484 55.438 0.046 1 1 413 . 19 1 1 A 78 78 TYR N N 163 111.059 119.017 -7.958 1 1 429 . 19 1 1 A 86 86 ASN HA H 171 4.733 4.769 -0.036 1 1 434 . 19 1 1 A 86 86 ASN CA C 171 52.388 53.683 -1.295 1 1 435 . 19 1 1 A 86 86 ASN CB C 171 39.935 39.414 0.521 1 1 437 . 19 1 1 A 87 87 GLN H H 172 8.740 8.951 -0.211 1 1 440 . 19 1 1 A 87 87 GLN CA C 172 59.906 58.811 1.095 1 1 441 . 19 1 1 A 87 87 GLN CB C 172 29.065 28.386 0.679 1 1 443 . 19 1 1 A 87 87 GLN N N 172 121.279 121.537 -0.258 1 1 445 . 19 1 1 A 88 88 ASN H H 173 8.427 8.330 0.097 1 1 446 . 19 1 1 A 88 88 ASN HA H 173 4.255 4.509 -0.254 1 1 451 . 19 1 1 A 88 88 ASN CA C 173 56.396 56.645 -0.249 1 1 452 . 19 1 1 A 88 88 ASN CB C 173 37.912 38.117 -0.205 1 1 453 . 19 1 1 A 88 88 ASN N N 173 116.210 118.637 -2.427 1 1 455 . 19 1 1 A 89 89 ASN H H 174 8.542 8.304 0.238 1 1 456 . 19 1 1 A 89 89 ASN HA H 174 4.509 4.560 -0.051 1 1 461 . 19 1 1 A 89 89 ASN CA C 174 56.013 56.244 -0.231 1 1 462 . 19 1 1 A 89 89 ASN CB C 174 38.359 38.791 -0.432 1 1 463 . 19 1 1 A 89 89 ASN N N 174 118.573 118.370 0.203 1 1 465 . 19 1 1 A 90 90 PHE H H 175 8.113 7.714 0.399 1 1 466 . 19 1 1 A 90 90 PHE CA C 175 61.432 61.213 0.219 1 1 467 . 19 1 1 A 90 90 PHE N N 175 120.437 118.921 1.516 1 1 468 . 19 1 1 A 91 91 VAL H H 176 9.215 8.567 0.648 1 1 469 . 19 1 1 A 91 91 VAL HA H 176 3.608 3.619 -0.011 1 1 477 . 19 1 1 A 91 91 VAL CA C 176 67.888 66.691 1.197 1 1 478 . 19 1 1 A 91 91 VAL CB C 176 32.042 31.574 0.468 1 1 480 . 19 1 1 A 91 91 VAL N N 176 120.071 119.665 0.406 1 1 481 . 19 1 1 A 92 92 HIS H H 177 8.497 8.030 0.467 1 1 482 . 19 1 1 A 92 92 HIS HA H 177 4.353 4.327 0.026 1 1 485 . 19 1 1 A 92 92 HIS CA C 177 59.251 59.279 -0.028 1 1 486 . 19 1 1 A 92 92 HIS CB C 177 28.104 29.720 -1.616 1 1 487 . 19 1 1 A 92 92 HIS N N 177 117.399 118.346 -0.947 1 1 488 . 19 1 1 A 93 93 ASN H H 178 7.860 8.074 -0.214 1 1 489 . 19 1 1 A 93 93 ASN HA H 178 4.521 4.464 0.057 1 1 494 . 19 1 1 A 93 93 ASN CA C 178 56.244 56.531 -0.287 1 1 495 . 19 1 1 A 93 93 ASN CB C 178 37.934 38.227 -0.293 1 1 496 . 19 1 1 A 93 93 ASN N N 178 116.474 117.241 -0.767 1 1 498 . 19 1 1 A 94 94 CYS H H 179 8.133 8.070 0.063 1 1 499 . 19 1 1 A 94 94 CYS CA C 179 58.595 62.775 -4.180 1 1 500 . 19 1 1 A 94 94 CYS CB C 179 40.911 27.461 13.450 1 1 501 . 19 1 1 A 94 94 CYS N N 179 120.418 119.418 1.000 1 1 502 . 19 1 1 A 95 95 VAL H H 180 9.280 7.460 1.820 1 1 503 . 19 1 1 A 95 95 VAL HA H 180 3.654 3.527 0.127 1 1 511 . 19 1 1 A 95 95 VAL CA C 180 66.400 66.999 -0.599 1 1 512 . 19 1 1 A 95 95 VAL CB C 180 31.912 31.560 0.352 1 1 515 . 19 1 1 A 95 95 VAL N N 180 125.212 120.450 4.762 1 1 516 . 19 1 1 A 96 96 ASN H H 181 7.696 8.306 -0.610 1 1 517 . 19 1 1 A 96 96 ASN HA H 181 4.321 4.488 -0.167 1 1 522 . 19 1 1 A 96 96 ASN CA C 181 56.419 56.543 -0.124 1 1 523 . 19 1 1 A 96 96 ASN CB C 181 38.654 38.812 -0.158 1 1 524 . 19 1 1 A 96 96 ASN N N 181 115.816 119.150 -3.334 1 1 526 . 19 1 1 A 97 97 ILE H H 182 8.385 7.427 0.958 1 1 527 . 19 1 1 A 97 97 ILE HA H 182 3.726 3.626 0.100 1 1 537 . 19 1 1 A 97 97 ILE CA C 182 62.446 65.324 -2.878 1 1 538 . 19 1 1 A 97 97 ILE CB C 182 36.464 37.622 -1.158 1 1 542 . 19 1 1 A 97 97 ILE N N 182 118.191 120.039 -1.848 1 1 543 . 19 1 1 A 98 98 THR H H 183 8.157 8.064 0.093 1 1 544 . 19 1 1 A 98 98 THR HA H 183 4.078 3.908 0.170 1 1 549 . 19 1 1 A 98 98 THR CA C 183 68.807 66.946 1.861 1 1 550 . 19 1 1 A 98 98 THR CB C 183 68.239 68.483 -0.244 1 1 552 . 19 1 1 A 98 98 THR N N 183 117.797 117.062 0.735 1 1 553 . 19 1 1 A 99 99 ILE H H 184 8.528 7.752 0.776 1 1 554 . 19 1 1 A 99 99 ILE HA H 184 3.727 3.723 0.004 1 1 564 . 19 1 1 A 99 99 ILE CA C 184 65.621 65.162 0.459 1 1 565 . 19 1 1 A 99 99 ILE CB C 184 36.531 37.398 -0.867 1 1 569 . 19 1 1 A 99 99 ILE N N 184 120.576 121.007 -0.431 1 1 570 . 19 1 1 A 100 100 LYS H H 185 7.953 8.165 -0.212 1 1 571 . 19 1 1 A 100 100 LYS HA H 185 4.068 3.882 0.186 1 1 580 . 19 1 1 A 100 100 LYS CA C 185 59.636 59.728 -0.092 1 1 581 . 19 1 1 A 100 100 LYS CB C 185 31.989 32.541 -0.552 1 1 585 . 19 1 1 A 100 100 LYS N N 185 122.562 121.865 0.697 1 1 586 . 19 1 1 A 101 101 GLN H H 186 8.376 7.449 0.927 1 1 589 . 19 1 1 A 101 101 GLN CA C 186 57.741 57.787 -0.046 1 1 590 . 19 1 1 A 101 101 GLN N N 186 116.213 118.441 -2.228 1 1 592 . 19 1 1 A 102 102 HIS H H 187 8.199 8.208 -0.009 1 1 593 . 19 1 1 A 102 102 HIS HA H 187 4.593 4.258 0.335 1 1 596 . 19 1 1 A 102 102 HIS CA C 187 59.062 59.370 -0.308 1 1 597 . 19 1 1 A 102 102 HIS CB C 187 30.384 30.319 0.065 1 1 598 . 19 1 1 A 102 102 HIS N N 187 118.199 121.718 -3.519 1 1 599 . 19 1 1 A 103 103 THR H H 188 8.245 8.386 -0.141 1 1 600 . 19 1 1 A 103 103 THR HA H 188 4.184 3.982 0.202 1 1 605 . 19 1 1 A 103 103 THR CA C 188 65.017 64.969 0.048 1 1 606 . 19 1 1 A 103 103 THR CB C 188 69.167 68.630 0.537 1 1 608 . 19 1 1 A 103 103 THR N N 188 113.748 113.562 0.186 1 1 609 . 19 1 1 A 104 104 VAL H H 189 8.013 7.901 0.112 1 1 610 . 19 1 1 A 104 104 VAL HA H 189 4.004 3.589 0.415 1 1 618 . 19 1 1 A 104 104 VAL CA C 189 65.151 66.949 -1.798 1 1 619 . 19 1 1 A 104 104 VAL CB C 189 31.743 31.753 -0.010 1 1 622 . 19 1 1 A 104 104 VAL N N 189 122.142 120.627 1.515 1 1 623 . 19 1 1 A 105 105 THR H H 190 8.092 7.783 0.309 1 1 624 . 19 1 1 A 105 105 THR HA H 190 4.250 4.019 0.231 1 1 629 . 19 1 1 A 105 105 THR CA C 190 64.314 65.682 -1.368 1 1 630 . 19 1 1 A 105 105 THR CB C 190 69.159 68.330 0.829 1 1 632 . 19 1 1 A 105 105 THR N N 190 115.022 116.050 -1.028 1 1 633 . 19 1 1 A 106 106 THR H H 191 8.017 7.360 0.657 1 1 634 . 19 1 1 A 106 106 THR HA H 191 4.214 3.947 0.267 1 1 639 . 19 1 1 A 106 106 THR CA C 191 63.874 65.761 -1.887 1 1 640 . 19 1 1 A 106 106 THR CB C 191 69.009 68.450 0.559 1 1 642 . 19 1 1 A 106 106 THR N N 191 114.622 116.595 -1.973 1 1 643 . 19 1 1 A 107 107 THR H H 192 8.194 8.191 0.003 1 1 644 . 19 1 1 A 107 107 THR CA C 192 64.201 65.294 -1.093 1 1 645 . 19 1 1 A 107 107 THR CB C 192 69.159 68.349 0.810 1 1 647 . 19 1 1 A 107 107 THR N N 192 116.611 113.794 2.817 1 1 648 . 19 1 1 A 108 108 THR H H 193 7.932 8.232 -0.300 1 1 649 . 19 1 1 A 108 108 THR CA C 193 63.871 65.931 -2.060 1 1 650 . 19 1 1 A 108 108 THR CB C 193 69.002 68.552 0.450 1 1 652 . 19 1 1 A 108 108 THR N N 193 116.096 113.640 2.456 1 1 653 . 19 1 1 A 109 109 LYS H H 194 7.821 7.707 0.114 1 1 654 . 19 1 1 A 109 109 LYS HA H 194 4.364 4.488 -0.124 1 1 663 . 19 1 1 A 109 109 LYS CA C 194 56.285 56.145 0.140 1 1 664 . 19 1 1 A 109 109 LYS CB C 194 32.636 33.240 -0.604 1 1 668 . 19 1 1 A 109 109 LYS N N 194 120.975 120.132 0.843 1 1 669 . 19 1 1 A 110 110 GLY H H 195 8.109 7.947 0.162 1 1 670 . 19 1 1 A 110 110 GLY HA2 H 195 3.858 3.932 -0.074 1 1 671 . 19 1 1 A 110 110 GLY HA3 H 195 4.083 3.936 0.147 1 1 672 . 19 1 1 A 110 110 GLY CA C 195 45.511 46.608 -1.097 1 1 673 . 19 1 1 A 110 110 GLY N N 195 108.675 108.536 0.139 1 1 674 . 19 1 1 A 111 111 GLU H H 196 7.706 7.998 -0.292 1 1 675 . 19 1 1 A 111 111 GLU HA H 196 4.258 4.828 -0.570 1 1 680 . 19 1 1 A 111 111 GLU CA C 196 55.837 54.435 1.402 1 1 681 . 19 1 1 A 111 111 GLU CB C 196 30.673 32.987 -2.314 1 1 683 . 19 1 1 A 111 111 GLU N N 196 120.028 118.936 1.092 1 1 684 . 19 1 1 A 112 112 ASN H H 197 8.460 8.737 -0.277 1 1 685 . 19 1 1 A 112 112 ASN HA H 197 4.668 5.401 -0.733 1 1 690 . 19 1 1 A 112 112 ASN CA C 197 52.923 51.961 0.962 1 1 691 . 19 1 1 A 112 112 ASN CB C 197 40.491 41.106 -0.615 1 1 692 . 19 1 1 A 112 112 ASN N N 197 119.716 118.595 1.121 1 1 694 . 19 1 1 A 113 113 PHE H H 198 8.655 8.246 0.409 1 1 695 . 19 1 1 A 113 113 PHE HA H 198 5.262 5.691 -0.429 1 1 698 . 19 1 1 A 113 113 PHE CA C 198 56.640 55.517 1.123 1 1 699 . 19 1 1 A 113 113 PHE CB C 198 39.899 41.457 -1.558 1 1 700 . 19 1 1 A 113 113 PHE N N 198 122.046 118.071 3.975 1 1 701 . 19 1 1 A 114 114 THR H H 199 9.506 8.953 0.553 1 1 702 . 19 1 1 A 114 114 THR HA H 199 4.625 4.769 -0.144 1 1 707 . 19 1 1 A 114 114 THR CA C 199 60.305 60.489 -0.184 1 1 708 . 19 1 1 A 114 114 THR CB C 199 72.033 70.706 1.327 1 1 710 . 19 1 1 A 114 114 THR N N 199 116.124 114.467 1.657 1 1 711 . 19 1 1 A 115 115 GLU H H 200 9.120 9.119 0.001 1 1 712 . 19 1 1 A 115 115 GLU HA H 200 4.051 4.145 -0.094 1 1 717 . 19 1 1 A 115 115 GLU CA C 200 59.877 59.599 0.278 1 1 718 . 19 1 1 A 115 115 GLU CB C 200 28.787 29.189 -0.402 1 1 720 . 19 1 1 A 115 115 GLU N N 200 119.993 121.563 -1.570 1 1 721 . 19 1 1 A 116 116 THR H H 201 7.955 7.759 0.196 1 1 722 . 19 1 1 A 116 116 THR HA H 201 3.794 4.048 -0.254 1 1 727 . 19 1 1 A 116 116 THR CA C 201 66.734 66.758 -0.024 1 1 728 . 19 1 1 A 116 116 THR CB C 201 68.624 69.016 -0.392 1 1 730 . 19 1 1 A 116 116 THR N N 201 116.160 117.612 -1.452 1 1 731 . 19 1 1 A 117 117 ASP H H 202 7.505 7.945 -0.440 1 1 732 . 19 1 1 A 117 117 ASP HA H 202 4.577 4.513 0.064 1 1 735 . 19 1 1 A 117 117 ASP CA C 202 58.057 57.124 0.933 1 1 736 . 19 1 1 A 117 117 ASP CB C 202 41.747 41.072 0.675 1 1 737 . 19 1 1 A 117 117 ASP N N 202 120.175 121.466 -1.291 1 1 738 . 19 1 1 A 118 118 VAL H H 203 8.236 8.575 -0.339 1 1 739 . 19 1 1 A 118 118 VAL HA H 203 3.324 3.865 -0.541 1 1 747 . 19 1 1 A 118 118 VAL CA C 203 67.799 65.270 2.529 1 1 748 . 19 1 1 A 118 118 VAL CB C 203 31.269 31.038 0.231 1 1 751 . 19 1 1 A 118 118 VAL N N 203 119.654 119.127 0.527 1 1 752 . 19 1 1 A 119 119 LYS H H 204 7.740 7.922 -0.182 1 1 753 . 19 1 1 A 119 119 LYS HA H 204 4.090 4.001 0.089 1 1 762 . 19 1 1 A 119 119 LYS CA C 204 59.368 59.323 0.045 1 1 763 . 19 1 1 A 119 119 LYS CB C 204 32.165 31.984 0.181 1 1 767 . 19 1 1 A 119 119 LYS N N 204 119.288 120.854 -1.566 1 1 768 . 19 1 1 A 120 120 MET H H 205 8.235 8.253 -0.018 1 1 769 . 19 1 1 A 120 120 MET HA H 205 4.158 4.199 -0.041 1 1 777 . 19 1 1 A 120 120 MET CA C 205 59.819 58.195 1.624 1 1 778 . 19 1 1 A 120 120 MET CB C 205 33.078 32.675 0.403 1 1 781 . 19 1 1 A 120 120 MET N N 205 118.767 118.398 0.369 1 1 782 . 19 1 1 A 121 121 MET H H 206 8.755 7.982 0.773 1 1 783 . 19 1 1 A 121 121 MET HA H 206 3.580 4.329 -0.749 1 1 791 . 19 1 1 A 121 121 MET CA C 206 59.639 58.423 1.216 1 1 792 . 19 1 1 A 121 121 MET CB C 206 32.777 32.346 0.431 1 1 795 . 19 1 1 A 121 121 MET N N 206 118.428 118.597 -0.169 1 1 796 . 19 1 1 A 122 122 GLU H H 207 8.419 8.137 0.282 1 1 797 . 19 1 1 A 122 122 GLU HA H 207 3.688 3.947 -0.259 1 1 802 . 19 1 1 A 122 122 GLU CA C 207 60.390 59.429 0.961 1 1 803 . 19 1 1 A 122 122 GLU CB C 207 28.448 29.384 -0.936 1 1 805 . 19 1 1 A 122 122 GLU N N 207 118.469 118.593 -0.124 1 1 806 . 19 1 1 A 123 123 ARG H H 208 7.344 7.644 -0.300 1 1 807 . 19 1 1 A 123 123 ARG HA H 208 4.163 4.053 0.110 1 1 815 . 19 1 1 A 123 123 ARG CA C 208 58.537 59.450 -0.913 1 1 816 . 19 1 1 A 123 123 ARG CB C 208 29.925 30.607 -0.682 1 1 819 . 19 1 1 A 123 123 ARG N N 208 116.990 119.273 -2.283 1 1 821 . 19 1 1 A 124 124 VAL H H 209 8.299 7.426 0.873 1 1 822 . 19 1 1 A 124 124 VAL HA H 209 3.798 3.663 0.135 1 1 830 . 19 1 1 A 124 124 VAL CA C 209 65.995 65.908 0.087 1 1 831 . 19 1 1 A 124 124 VAL CB C 209 32.075 31.730 0.345 1 1 834 . 19 1 1 A 124 124 VAL N N 209 119.301 119.410 -0.109 1 1 835 . 19 1 1 A 125 125 VAL H H 210 9.016 8.376 0.640 1 1 836 . 19 1 1 A 125 125 VAL HA H 210 3.643 3.550 0.093 1 1 844 . 19 1 1 A 125 125 VAL CA C 210 66.591 66.576 0.015 1 1 845 . 19 1 1 A 125 125 VAL CB C 210 31.836 31.505 0.331 1 1 848 . 19 1 1 A 125 125 VAL N N 210 121.312 121.250 0.062 1 1 849 . 19 1 1 A 126 126 GLU H H 211 8.153 7.869 0.284 1 1 850 . 19 1 1 A 126 126 GLU HA H 211 3.622 3.928 -0.306 1 1 855 . 19 1 1 A 126 126 GLU CA C 211 60.997 59.644 1.353 1 1 856 . 19 1 1 A 126 126 GLU CB C 211 28.921 28.996 -0.075 1 1 858 . 19 1 1 A 126 126 GLU N N 211 120.456 119.967 0.489 1 1 859 . 19 1 1 A 127 127 GLN H H 212 7.274 7.818 -0.544 1 1 862 . 19 1 1 A 127 127 GLN CA C 212 58.803 58.603 0.200 1 1 863 . 19 1 1 A 127 127 GLN N N 212 115.025 118.789 -3.764 1 1 865 . 19 1 1 A 128 128 MET H H 213 8.324 7.814 0.510 1 1 866 . 19 1 1 A 128 128 MET HA H 213 4.146 4.175 -0.029 1 1 872 . 19 1 1 A 128 128 MET CA C 213 59.976 58.334 1.642 1 1 873 . 19 1 1 A 128 128 MET CB C 213 31.911 32.778 -0.867 1 1 875 . 19 1 1 A 128 128 MET N N 213 119.344 118.246 1.098 1 1 876 . 19 1 1 A 129 129 CYS H H 214 9.219 7.971 1.248 1 1 877 . 19 1 1 A 129 129 CYS CA C 214 59.821 63.621 -3.800 1 1 878 . 19 1 1 A 129 129 CYS N N 214 118.992 117.421 1.571 1 1 879 . 19 1 1 A 130 130 ILE H H 215 8.340 7.462 0.878 1 1 880 . 19 1 1 A 130 130 ILE HA H 215 3.563 3.748 -0.185 1 1 890 . 19 1 1 A 130 130 ILE CA C 215 66.751 64.567 2.184 1 1 891 . 19 1 1 A 130 130 ILE CB C 215 37.814 38.022 -0.208 1 1 895 . 19 1 1 A 130 130 ILE N N 215 123.750 121.429 2.321 1 1 896 . 19 1 1 A 131 131 THR H H 216 8.142 8.119 0.023 1 1 897 . 19 1 1 A 131 131 THR HA H 216 3.940 3.882 0.058 1 1 902 . 19 1 1 A 131 131 THR CA C 216 66.898 66.540 0.358 1 1 903 . 19 1 1 A 131 131 THR CB C 216 69.608 68.797 0.811 1 1 905 . 19 1 1 A 131 131 THR N N 216 118.528 115.630 2.898 1 1 906 . 19 1 1 A 132 132 GLN H H 217 8.687 8.185 0.502 1 1 907 . 19 1 1 A 132 132 GLN HA H 217 3.688 4.159 -0.471 1 1 914 . 19 1 1 A 132 132 GLN CA C 217 58.527 58.499 0.028 1 1 915 . 19 1 1 A 132 132 GLN CB C 217 28.353 28.621 -0.268 1 1 917 . 19 1 1 A 132 132 GLN N N 217 121.765 120.186 1.579 1 1 919 . 19 1 1 A 133 133 TYR HA H 218 4.532 4.719 -0.187 1 1 926 . 19 1 1 A 133 133 TYR CA C 218 55.867 58.823 -2.956 1 1 927 . 19 1 1 A 133 133 TYR CB C 218 37.912 40.870 -2.958 1 1 930 . 19 1 1 A 134 134 GLU H H 219 8.293 8.544 -0.251 1 1 931 . 19 1 1 A 134 134 GLU HA H 219 3.689 3.978 -0.289 1 1 936 . 19 1 1 A 134 134 GLU CA C 219 59.268 60.195 -0.927 1 1 937 . 19 1 1 A 134 134 GLU CB C 219 28.324 29.142 -0.818 1 1 939 . 19 1 1 A 134 134 GLU N N 219 120.400 119.331 1.069 1 1 940 . 19 1 1 A 135 135 ARG H H 220 7.887 8.527 -0.640 1 1 941 . 19 1 1 A 135 135 ARG HA H 220 3.981 3.963 0.018 1 1 949 . 19 1 1 A 135 135 ARG CA C 220 59.266 59.407 -0.141 1 1 950 . 19 1 1 A 135 135 ARG CB C 220 30.337 29.955 0.382 1 1 953 . 19 1 1 A 135 135 ARG N N 220 118.589 120.099 -1.510 1 1 955 . 19 1 1 A 137 137 SER HA H 222 3.954 4.299 -0.345 1 1 958 . 19 1 1 A 137 137 SER CA C 222 60.572 61.488 -0.916 1 1 959 . 19 1 1 A 137 137 SER CB C 222 62.761 62.841 -0.080 1 1 960 . 19 1 1 A 138 138 GLN H H 223 7.624 8.613 -0.989 1 1 961 . 19 1 1 A 138 138 GLN HA H 223 4.153 4.084 0.069 1 1 968 . 19 1 1 A 138 138 GLN CA C 223 57.658 58.488 -0.830 1 1 969 . 19 1 1 A 138 138 GLN CB C 223 28.370 28.708 -0.338 1 1 971 . 19 1 1 A 138 138 GLN N N 223 120.575 120.670 -0.095 1 1 973 . 19 1 1 A 139 139 ALA H H 224 7.627 7.663 -0.036 1 1 974 . 19 1 1 A 139 139 ALA HA H 224 4.156 4.185 -0.029 1 1 978 . 19 1 1 A 139 139 ALA CA C 224 54.017 54.955 -0.938 1 1 979 . 19 1 1 A 139 139 ALA CB C 224 18.645 18.235 0.410 1 1 980 . 19 1 1 A 139 139 ALA N N 224 121.263 121.372 -0.109 1 1 981 . 19 1 1 A 140 140 TYR H H 225 8.048 8.055 -0.007 1 1 982 . 19 1 1 A 140 140 TYR HA H 225 4.204 4.289 -0.085 1 1 989 . 19 1 1 A 140 140 TYR CA C 225 59.890 61.254 -1.364 1 1 990 . 19 1 1 A 140 140 TYR CB C 225 38.994 38.663 0.331 1 1 993 . 19 1 1 A 140 140 TYR N N 225 118.980 120.480 -1.500 1 1 994 . 19 1 1 A 141 141 TYR H H 226 7.948 8.137 -0.189 1 1 995 . 19 1 1 A 141 141 TYR HA H 226 4.375 4.352 0.023 1 1 1002 . 19 1 1 A 141 141 TYR CA C 226 59.036 61.466 -2.430 1 1 1003 . 19 1 1 A 141 141 TYR CB C 226 38.060 39.012 -0.952 1 1 1006 . 19 1 1 A 141 141 TYR N N 226 118.596 120.118 -1.522 1 1 1007 . 19 1 1 A 142 142 GLN H H 227 7.941 7.576 0.365 1 1 1008 . 19 1 1 A 142 142 GLN HA H 227 4.240 4.429 -0.189 1 1 1015 . 19 1 1 A 142 142 GLN CA C 227 56.346 55.938 0.408 1 1 1016 . 19 1 1 A 142 142 GLN CB C 227 28.912 29.481 -0.569 1 1 1018 . 19 1 1 A 142 142 GLN N N 227 119.883 118.514 1.369 1 1 1020 . 19 1 1 A 143 143 ARG H H 228 7.966 8.817 -0.851 1 1 1021 . 19 1 1 A 143 143 ARG HA H 228 4.244 3.988 0.256 1 1 1029 . 19 1 1 A 143 143 ARG CA C 228 56.719 56.889 -0.170 1 1 1030 . 19 1 1 A 143 143 ARG CB C 228 30.731 29.208 1.523 1 1 1033 . 19 1 1 A 143 143 ARG N N 228 120.871 118.143 2.728 1 1 1035 . 19 1 1 A 144 144 GLY H H 229 8.247 8.599 -0.352 1 1 1036 . 19 1 1 A 144 144 GLY HA2 H 229 3.992 4.111 -0.119 1 1 1037 . 19 1 1 A 144 144 GLY HA3 H 229 3.992 4.122 -0.130 1 1 1038 . 19 1 1 A 144 144 GLY CA C 229 45.359 45.765 -0.406 1 1 1039 . 19 1 1 A 144 144 GLY N N 229 109.072 111.912 -2.840 1 1 1040 . 19 1 1 A 145 145 SER H H 230 8.139 7.680 0.459 1 1 1041 . 19 1 1 A 145 145 SER HA H 230 4.506 4.717 -0.211 1 1 1044 . 19 1 1 A 145 145 SER CA C 230 58.123 57.435 0.688 1 1 1045 . 19 1 1 A 145 145 SER CB C 230 63.878 65.317 -1.439 1 1 1046 . 19 1 1 A 145 145 SER N N 230 115.684 112.396 3.288 1 1 16 . 20 1 1 A 41 41 GLY H H 126 8.484 8.383 0.101 1 1 17 . 20 1 1 A 41 41 GLY HA2 H 126 3.861 3.971 -0.110 1 1 18 . 20 1 1 A 41 41 GLY HA3 H 126 3.920 4.015 -0.095 1 1 19 . 20 1 1 A 41 41 GLY CA C 126 46.260 46.606 -0.346 1 1 20 . 20 1 1 A 41 41 GLY N N 126 109.470 106.171 3.299 1 1 21 . 20 1 1 A 42 42 GLY H H 127 8.326 8.256 0.070 1 1 22 . 20 1 1 A 42 42 GLY HA2 H 127 3.749 3.985 -0.236 1 1 23 . 20 1 1 A 42 42 GLY HA3 H 127 3.900 4.093 -0.193 1 1 24 . 20 1 1 A 42 42 GLY CA C 127 45.226 45.417 -0.191 1 1 25 . 20 1 1 A 42 42 GLY N N 127 109.020 106.482 2.538 1 1 26 . 20 1 1 A 43 43 TYR H H 128 7.692 7.589 0.103 1 1 27 . 20 1 1 A 43 43 TYR HA H 128 4.675 4.800 -0.125 1 1 34 . 20 1 1 A 43 43 TYR CA C 128 57.271 56.269 1.002 1 1 35 . 20 1 1 A 43 43 TYR CB C 128 40.257 41.249 -0.992 1 1 38 . 20 1 1 A 43 43 TYR N N 128 117.301 118.715 -1.414 1 1 39 . 20 1 1 A 44 44 VAL H H 129 8.974 8.563 0.411 1 1 40 . 20 1 1 A 44 44 VAL HA H 129 4.344 4.498 -0.154 1 1 48 . 20 1 1 A 44 44 VAL CA C 129 59.555 62.146 -2.591 1 1 49 . 20 1 1 A 44 44 VAL CB C 129 34.728 32.408 2.320 1 1 52 . 20 1 1 A 44 44 VAL N N 129 118.589 123.913 -5.324 1 1 53 . 20 1 1 A 45 45 LEU H H 130 8.029 8.549 -0.520 1 1 62 . 20 1 1 A 45 45 LEU N N 130 123.350 125.616 -2.266 1 1 63 . 20 1 1 A 46 46 GLY H H 131 9.278 8.429 0.849 1 1 64 . 20 1 1 A 46 46 GLY CA C 131 44.842 45.938 -1.096 1 1 65 . 20 1 1 A 46 46 GLY N N 131 114.623 112.873 1.750 1 1 66 . 20 1 1 A 47 47 SER H H 132 8.315 7.507 0.808 1 1 67 . 20 1 1 A 47 47 SER HA H 132 4.438 4.596 -0.158 1 1 70 . 20 1 1 A 47 47 SER CA C 132 58.520 56.672 1.848 1 1 71 . 20 1 1 A 47 47 SER CB C 132 64.166 64.610 -0.444 1 1 72 . 20 1 1 A 47 47 SER N N 132 113.038 111.181 1.857 1 1 73 . 20 1 1 A 48 48 ALA H H 133 8.736 8.284 0.452 1 1 74 . 20 1 1 A 48 48 ALA HA H 133 4.425 4.544 -0.119 1 1 78 . 20 1 1 A 48 48 ALA CA C 133 53.090 51.751 1.339 1 1 79 . 20 1 1 A 48 48 ALA CB C 133 18.465 20.334 -1.869 1 1 80 . 20 1 1 A 48 48 ALA N N 133 125.270 123.482 1.788 1 1 81 . 20 1 1 A 49 49 MET H H 134 8.758 8.933 -0.175 1 1 82 . 20 1 1 A 49 49 MET HA H 134 4.754 5.002 -0.248 1 1 90 . 20 1 1 A 49 49 MET CA C 134 53.972 54.251 -0.279 1 1 91 . 20 1 1 A 49 49 MET CB C 134 37.222 36.983 0.239 1 1 94 . 20 1 1 A 49 49 MET N N 134 120.911 117.284 3.627 1 1 95 . 20 1 1 A 50 50 SER H H 135 8.430 8.718 -0.288 1 1 96 . 20 1 1 A 50 50 SER HA H 135 4.356 4.431 -0.075 1 1 99 . 20 1 1 A 50 50 SER CA C 135 58.630 58.523 0.107 1 1 100 . 20 1 1 A 50 50 SER CB C 135 63.575 63.830 -0.255 1 1 101 . 20 1 1 A 50 50 SER N N 135 116.162 119.476 -3.314 1 1 102 . 20 1 1 A 51 51 ARG H H 136 8.646 8.935 -0.289 1 1 103 . 20 1 1 A 51 51 ARG HA H 136 4.434 3.880 0.554 1 1 111 . 20 1 1 A 51 51 ARG CA C 136 54.863 56.574 -1.711 1 1 112 . 20 1 1 A 51 51 ARG CB C 136 30.519 28.364 2.155 1 1 115 . 20 1 1 A 51 51 ARG N N 136 126.460 122.734 3.726 1 1 117 . 20 1 1 A 52 52 PRO HA H 137 4.413 4.578 -0.165 1 1 124 . 20 1 1 A 52 52 PRO CA C 137 62.198 64.484 -2.286 1 1 125 . 20 1 1 A 52 52 PRO CB C 137 32.165 31.652 0.513 1 1 128 . 20 1 1 A 53 53 ILE H H 138 8.647 7.531 1.116 1 1 129 . 20 1 1 A 53 53 ILE HA H 138 4.160 4.049 0.111 1 1 139 . 20 1 1 A 53 53 ILE CA C 138 60.851 61.752 -0.901 1 1 140 . 20 1 1 A 53 53 ILE CB C 138 36.101 38.788 -2.687 1 1 144 . 20 1 1 A 53 53 ILE N N 138 122.534 119.191 3.343 1 1 145 . 20 1 1 A 54 54 ILE H H 139 6.485 8.909 -2.424 1 1 146 . 20 1 1 A 54 54 ILE HA H 139 3.926 4.954 -1.028 1 1 156 . 20 1 1 A 54 54 ILE CA C 139 58.665 58.647 0.018 1 1 157 . 20 1 1 A 54 54 ILE CB C 139 39.251 41.354 -2.103 1 1 161 . 20 1 1 A 54 54 ILE N N 139 126.733 129.214 -2.481 1 1 162 . 20 1 1 A 55 55 HIS H H 140 8.249 8.640 -0.391 1 1 163 . 20 1 1 A 55 55 HIS HA H 140 4.935 4.120 0.815 1 1 167 . 20 1 1 A 55 55 HIS CA C 140 54.209 56.542 -2.333 1 1 168 . 20 1 1 A 55 55 HIS CB C 140 29.326 30.568 -1.242 1 1 170 . 20 1 1 A 55 55 HIS N N 140 122.048 128.410 -6.362 1 1 171 . 20 1 1 A 56 56 PHE H H 141 10.205 8.140 2.065 1 1 172 . 20 1 1 A 56 56 PHE HA H 141 4.360 3.840 0.520 1 1 175 . 20 1 1 A 56 56 PHE CA C 141 59.367 60.774 -1.407 1 1 176 . 20 1 1 A 56 56 PHE CB C 141 41.594 38.938 2.656 1 1 177 . 20 1 1 A 56 56 PHE N N 141 124.145 126.070 -1.925 1 1 178 . 20 1 1 A 57 57 GLY H H 142 9.008 8.383 0.625 1 1 179 . 20 1 1 A 57 57 GLY HA2 H 142 3.835 3.764 0.071 1 1 180 . 20 1 1 A 57 57 GLY HA3 H 142 4.168 3.863 0.305 1 1 181 . 20 1 1 A 57 57 GLY CA C 142 45.777 45.283 0.494 1 1 182 . 20 1 1 A 57 57 GLY N N 142 108.268 107.894 0.374 1 1 183 . 20 1 1 A 58 58 SER H H 143 7.327 7.736 -0.409 1 1 184 . 20 1 1 A 58 58 SER HA H 143 4.820 4.861 -0.041 1 1 187 . 20 1 1 A 58 58 SER CA C 143 56.405 57.721 -1.316 1 1 188 . 20 1 1 A 58 58 SER CB C 143 66.034 65.421 0.613 1 1 189 . 20 1 1 A 58 58 SER N N 143 111.827 113.890 -2.063 1 1 190 . 20 1 1 A 59 59 ASP H H 144 9.051 9.097 -0.046 1 1 191 . 20 1 1 A 59 59 ASP HA H 144 4.502 4.139 0.363 1 1 194 . 20 1 1 A 59 59 ASP CA C 144 57.676 56.966 0.710 1 1 195 . 20 1 1 A 59 59 ASP CB C 144 40.505 40.110 0.395 1 1 196 . 20 1 1 A 59 59 ASP N N 144 124.541 127.770 -3.229 1 1 197 . 20 1 1 A 60 60 TYR H H 145 8.571 7.710 0.861 1 1 198 . 20 1 1 A 60 60 TYR HA H 145 4.197 4.234 -0.037 1 1 205 . 20 1 1 A 60 60 TYR CA C 145 61.232 61.471 -0.239 1 1 206 . 20 1 1 A 60 60 TYR CB C 145 37.912 37.818 0.094 1 1 209 . 20 1 1 A 60 60 TYR N N 145 118.914 118.864 0.050 1 1 210 . 20 1 1 A 61 61 GLU H H 146 7.737 8.494 -0.757 1 1 211 . 20 1 1 A 61 61 GLU HA H 146 3.590 4.197 -0.607 1 1 216 . 20 1 1 A 61 61 GLU CA C 146 59.607 59.606 0.001 1 1 217 . 20 1 1 A 61 61 GLU CB C 146 30.059 29.108 0.951 1 1 219 . 20 1 1 A 61 61 GLU N N 146 118.985 119.275 -0.290 1 1 220 . 20 1 1 A 62 62 ASP H H 147 8.213 8.768 -0.555 1 1 221 . 20 1 1 A 62 62 ASP HA H 147 4.666 4.380 0.286 1 1 224 . 20 1 1 A 62 62 ASP CA C 147 58.292 57.329 0.963 1 1 225 . 20 1 1 A 62 62 ASP CB C 147 40.171 41.617 -1.446 1 1 226 . 20 1 1 A 62 62 ASP N N 147 119.785 119.840 -0.055 1 1 227 . 20 1 1 A 63 63 ARG H H 148 8.229 7.936 0.293 1 1 228 . 20 1 1 A 63 63 ARG HA H 148 4.016 3.983 0.033 1 1 236 . 20 1 1 A 63 63 ARG CA C 148 59.611 59.716 -0.105 1 1 237 . 20 1 1 A 63 63 ARG CB C 148 30.059 29.929 0.130 1 1 240 . 20 1 1 A 63 63 ARG N N 148 120.339 119.025 1.314 1 1 242 . 20 1 1 A 64 64 TYR H H 149 8.340 8.417 -0.077 1 1 243 . 20 1 1 A 64 64 TYR HA H 149 3.829 4.279 -0.450 1 1 250 . 20 1 1 A 64 64 TYR CA C 149 61.991 61.084 0.907 1 1 251 . 20 1 1 A 64 64 TYR CB C 149 38.417 38.029 0.388 1 1 254 . 20 1 1 A 64 64 TYR N N 149 121.093 121.418 -0.325 1 1 255 . 20 1 1 A 65 65 TYR H H 150 8.979 8.629 0.350 1 1 256 . 20 1 1 A 65 65 TYR HA H 150 4.132 4.197 -0.065 1 1 263 . 20 1 1 A 65 65 TYR CA C 150 62.691 61.179 1.512 1 1 264 . 20 1 1 A 65 65 TYR CB C 150 38.025 38.948 -0.923 1 1 267 . 20 1 1 A 65 65 TYR N N 150 120.575 121.193 -0.618 1 1 268 . 20 1 1 A 66 66 ARG H H 151 7.997 7.769 0.228 1 1 269 . 20 1 1 A 66 66 ARG HA H 151 3.925 3.941 -0.016 1 1 277 . 20 1 1 A 66 66 ARG CA C 151 60.050 58.933 1.117 1 1 278 . 20 1 1 A 66 66 ARG CB C 151 29.901 29.428 0.473 1 1 281 . 20 1 1 A 66 66 ARG N N 151 117.799 118.874 -1.075 1 1 283 . 20 1 1 A 67 67 GLU H H 152 8.076 7.830 0.246 1 1 284 . 20 1 1 A 67 67 GLU HA H 152 4.082 4.009 0.073 1 1 289 . 20 1 1 A 67 67 GLU CA C 152 58.125 58.256 -0.131 1 1 290 . 20 1 1 A 67 67 GLU CB C 152 29.743 29.465 0.278 1 1 292 . 20 1 1 A 67 67 GLU N N 152 116.601 117.475 -0.874 1 1 293 . 20 1 1 A 68 68 ASN H H 153 7.621 7.929 -0.308 1 1 294 . 20 1 1 A 68 68 ASN HA H 153 4.321 4.532 -0.211 1 1 299 . 20 1 1 A 68 68 ASN CA C 153 54.958 56.079 -1.121 1 1 300 . 20 1 1 A 68 68 ASN CB C 153 41.041 38.430 2.611 1 1 301 . 20 1 1 A 68 68 ASN N N 153 114.623 118.893 -4.270 1 1 303 . 20 1 1 A 69 69 MET H H 154 8.105 8.294 -0.189 1 1 304 . 20 1 1 A 69 69 MET HA H 154 3.458 4.013 -0.555 1 1 312 . 20 1 1 A 69 69 MET CA C 154 59.104 57.882 1.222 1 1 313 . 20 1 1 A 69 69 MET CB C 154 30.533 31.954 -1.421 1 1 316 . 20 1 1 A 69 69 MET N N 154 119.633 117.489 2.144 1 1 317 . 20 1 1 A 70 70 HIS H H 155 8.070 7.791 0.279 1 1 319 . 20 1 1 A 70 70 HIS CA C 155 57.650 59.044 -1.394 1 1 320 . 20 1 1 A 70 70 HIS CB C 155 27.591 30.207 -2.616 1 1 322 . 20 1 1 A 70 70 HIS N N 155 115.018 117.748 -2.730 1 1 323 . 20 1 1 A 71 71 ARG H H 156 7.618 7.912 -0.294 1 1 325 . 20 1 1 A 71 71 ARG CA C 156 56.278 55.266 1.012 1 1 326 . 20 1 1 A 71 71 ARG CB C 156 30.770 30.481 0.289 1 1 329 . 20 1 1 A 71 71 ARG N N 156 118.197 115.428 2.769 1 1 331 . 20 1 1 A 72 72 TYR H H 157 7.473 7.905 -0.432 1 1 332 . 20 1 1 A 72 72 TYR HA H 157 5.034 4.719 0.315 1 1 339 . 20 1 1 A 72 72 TYR CA C 157 52.768 56.684 -3.916 1 1 340 . 20 1 1 A 72 72 TYR CB C 157 35.150 38.538 -3.388 1 1 343 . 20 1 1 A 72 72 TYR N N 157 120.873 118.975 1.898 1 1 344 . 20 1 1 A 73 73 PRO HA H 158 4.425 4.661 -0.236 1 1 351 . 20 1 1 A 73 73 PRO CA C 158 63.737 62.848 0.889 1 1 352 . 20 1 1 A 73 73 PRO CB C 158 32.071 31.983 0.088 1 1 355 . 20 1 1 A 74 74 ASN H H 159 8.562 8.362 0.200 1 1 356 . 20 1 1 A 74 74 ASN HA H 159 4.708 4.782 -0.074 1 1 361 . 20 1 1 A 74 74 ASN CA C 159 51.965 52.091 -0.126 1 1 362 . 20 1 1 A 74 74 ASN CB C 159 37.898 38.759 -0.861 1 1 363 . 20 1 1 A 74 74 ASN N N 159 116.213 120.646 -4.433 1 1 365 . 20 1 1 A 75 75 GLN H H 160 7.302 7.417 -0.115 1 1 366 . 20 1 1 A 75 75 GLN HA H 160 4.479 4.646 -0.167 1 1 371 . 20 1 1 A 75 75 GLN CA C 160 54.184 55.704 -1.520 1 1 372 . 20 1 1 A 75 75 GLN CB C 160 34.167 32.747 1.420 1 1 373 . 20 1 1 A 75 75 GLN N N 160 114.122 121.504 -7.382 1 1 375 . 20 1 1 A 76 76 VAL H H 161 8.635 8.706 -0.071 1 1 376 . 20 1 1 A 76 76 VAL HA H 161 4.916 5.278 -0.362 1 1 384 . 20 1 1 A 76 76 VAL CA C 161 58.557 59.278 -0.721 1 1 385 . 20 1 1 A 76 76 VAL CB C 161 33.635 35.759 -2.124 1 1 388 . 20 1 1 A 76 76 VAL N N 161 112.903 119.098 -6.195 1 1 389 . 20 1 1 A 77 77 TYR H H 162 8.554 8.177 0.377 1 1 390 . 20 1 1 A 77 77 TYR HA H 162 5.440 5.540 -0.100 1 1 397 . 20 1 1 A 77 77 TYR CA C 162 57.057 56.177 0.880 1 1 398 . 20 1 1 A 77 77 TYR CB C 162 42.147 41.233 0.914 1 1 401 . 20 1 1 A 77 77 TYR N N 162 120.972 120.503 0.469 1 1 402 . 20 1 1 A 78 78 TYR H H 163 8.686 8.983 -0.297 1 1 403 . 20 1 1 A 78 78 TYR HA H 163 4.797 5.423 -0.626 1 1 410 . 20 1 1 A 78 78 TYR CA C 163 55.484 56.821 -1.337 1 1 413 . 20 1 1 A 78 78 TYR N N 163 111.059 123.716 -12.657 1 1 429 . 20 1 1 A 86 86 ASN HA H 171 4.733 4.421 0.312 1 1 434 . 20 1 1 A 86 86 ASN CA C 171 52.388 56.312 -3.924 1 1 435 . 20 1 1 A 86 86 ASN CB C 171 39.935 38.172 1.763 1 1 437 . 20 1 1 A 87 87 GLN H H 172 8.740 8.592 0.148 1 1 440 . 20 1 1 A 87 87 GLN CA C 172 59.906 58.504 1.402 1 1 441 . 20 1 1 A 87 87 GLN CB C 172 29.065 28.329 0.736 1 1 443 . 20 1 1 A 87 87 GLN N N 172 121.279 117.371 3.908 1 1 445 . 20 1 1 A 88 88 ASN H H 173 8.427 8.792 -0.365 1 1 446 . 20 1 1 A 88 88 ASN HA H 173 4.255 4.474 -0.219 1 1 451 . 20 1 1 A 88 88 ASN CA C 173 56.396 57.184 -0.788 1 1 452 . 20 1 1 A 88 88 ASN CB C 173 37.912 40.198 -2.286 1 1 453 . 20 1 1 A 88 88 ASN N N 173 116.210 118.682 -2.472 1 1 455 . 20 1 1 A 89 89 ASN H H 174 8.542 8.094 0.448 1 1 456 . 20 1 1 A 89 89 ASN HA H 174 4.509 4.634 -0.125 1 1 461 . 20 1 1 A 89 89 ASN CA C 174 56.013 55.993 0.020 1 1 462 . 20 1 1 A 89 89 ASN CB C 174 38.359 38.341 0.018 1 1 463 . 20 1 1 A 89 89 ASN N N 174 118.573 117.058 1.515 1 1 465 . 20 1 1 A 90 90 PHE H H 175 8.113 8.123 -0.010 1 1 466 . 20 1 1 A 90 90 PHE CA C 175 61.432 60.974 0.458 1 1 467 . 20 1 1 A 90 90 PHE N N 175 120.437 122.670 -2.233 1 1 468 . 20 1 1 A 91 91 VAL H H 176 9.215 8.388 0.827 1 1 469 . 20 1 1 A 91 91 VAL HA H 176 3.608 3.632 -0.024 1 1 477 . 20 1 1 A 91 91 VAL CA C 176 67.888 66.673 1.215 1 1 478 . 20 1 1 A 91 91 VAL CB C 176 32.042 31.406 0.636 1 1 480 . 20 1 1 A 91 91 VAL N N 176 120.071 119.322 0.749 1 1 481 . 20 1 1 A 92 92 HIS H H 177 8.497 7.729 0.768 1 1 482 . 20 1 1 A 92 92 HIS HA H 177 4.353 4.328 0.025 1 1 485 . 20 1 1 A 92 92 HIS CA C 177 59.251 59.691 -0.440 1 1 486 . 20 1 1 A 92 92 HIS CB C 177 28.104 29.657 -1.553 1 1 487 . 20 1 1 A 92 92 HIS N N 177 117.399 118.299 -0.900 1 1 488 . 20 1 1 A 93 93 ASN H H 178 7.860 7.776 0.084 1 1 489 . 20 1 1 A 93 93 ASN HA H 178 4.521 4.355 0.166 1 1 494 . 20 1 1 A 93 93 ASN CA C 178 56.244 56.057 0.187 1 1 495 . 20 1 1 A 93 93 ASN CB C 178 37.934 37.687 0.247 1 1 496 . 20 1 1 A 93 93 ASN N N 178 116.474 116.596 -0.122 1 1 498 . 20 1 1 A 94 94 CYS H H 179 8.133 8.094 0.039 1 1 499 . 20 1 1 A 94 94 CYS CA C 179 58.595 63.218 -4.623 1 1 500 . 20 1 1 A 94 94 CYS CB C 179 40.911 27.083 13.828 1 1 501 . 20 1 1 A 94 94 CYS N N 179 120.418 118.438 1.980 1 1 502 . 20 1 1 A 95 95 VAL H H 180 9.280 7.885 1.395 1 1 503 . 20 1 1 A 95 95 VAL HA H 180 3.654 3.505 0.149 1 1 511 . 20 1 1 A 95 95 VAL CA C 180 66.400 66.909 -0.509 1 1 512 . 20 1 1 A 95 95 VAL CB C 180 31.912 31.551 0.361 1 1 515 . 20 1 1 A 95 95 VAL N N 180 125.212 121.553 3.659 1 1 516 . 20 1 1 A 96 96 ASN H H 181 7.696 8.197 -0.501 1 1 517 . 20 1 1 A 96 96 ASN HA H 181 4.321 4.466 -0.145 1 1 522 . 20 1 1 A 96 96 ASN CA C 181 56.419 56.638 -0.219 1 1 523 . 20 1 1 A 96 96 ASN CB C 181 38.654 38.632 0.022 1 1 524 . 20 1 1 A 96 96 ASN N N 181 115.816 118.456 -2.640 1 1 526 . 20 1 1 A 97 97 ILE H H 182 8.385 7.347 1.038 1 1 527 . 20 1 1 A 97 97 ILE HA H 182 3.726 3.568 0.158 1 1 537 . 20 1 1 A 97 97 ILE CA C 182 62.446 64.943 -2.497 1 1 538 . 20 1 1 A 97 97 ILE CB C 182 36.464 37.424 -0.960 1 1 542 . 20 1 1 A 97 97 ILE N N 182 118.191 119.783 -1.592 1 1 543 . 20 1 1 A 98 98 THR H H 183 8.157 7.514 0.643 1 1 544 . 20 1 1 A 98 98 THR HA H 183 4.078 3.815 0.263 1 1 549 . 20 1 1 A 98 98 THR CA C 183 68.807 66.690 2.117 1 1 550 . 20 1 1 A 98 98 THR CB C 183 68.239 68.004 0.235 1 1 552 . 20 1 1 A 98 98 THR N N 183 117.797 117.482 0.315 1 1 553 . 20 1 1 A 99 99 ILE H H 184 8.528 7.679 0.849 1 1 554 . 20 1 1 A 99 99 ILE HA H 184 3.727 3.744 -0.017 1 1 564 . 20 1 1 A 99 99 ILE CA C 184 65.621 64.634 0.987 1 1 565 . 20 1 1 A 99 99 ILE CB C 184 36.531 36.859 -0.328 1 1 569 . 20 1 1 A 99 99 ILE N N 184 120.576 121.691 -1.115 1 1 570 . 20 1 1 A 100 100 LYS H H 185 7.953 7.845 0.108 1 1 571 . 20 1 1 A 100 100 LYS HA H 185 4.068 3.886 0.182 1 1 580 . 20 1 1 A 100 100 LYS CA C 185 59.636 59.664 -0.028 1 1 581 . 20 1 1 A 100 100 LYS CB C 185 31.989 32.432 -0.443 1 1 585 . 20 1 1 A 100 100 LYS N N 185 122.562 121.543 1.019 1 1 586 . 20 1 1 A 101 101 GLN H H 186 8.376 7.741 0.635 1 1 589 . 20 1 1 A 101 101 GLN CA C 186 57.741 58.724 -0.983 1 1 590 . 20 1 1 A 101 101 GLN N N 186 116.213 118.264 -2.051 1 1 592 . 20 1 1 A 102 102 HIS H H 187 8.199 7.733 0.466 1 1 593 . 20 1 1 A 102 102 HIS HA H 187 4.593 4.316 0.277 1 1 596 . 20 1 1 A 102 102 HIS CA C 187 59.062 58.996 0.066 1 1 597 . 20 1 1 A 102 102 HIS CB C 187 30.384 30.415 -0.031 1 1 598 . 20 1 1 A 102 102 HIS N N 187 118.199 121.463 -3.264 1 1 599 . 20 1 1 A 103 103 THR H H 188 8.245 8.273 -0.028 1 1 600 . 20 1 1 A 103 103 THR HA H 188 4.184 4.006 0.178 1 1 605 . 20 1 1 A 103 103 THR CA C 188 65.017 65.636 -0.619 1 1 606 . 20 1 1 A 103 103 THR CB C 188 69.167 68.147 1.020 1 1 608 . 20 1 1 A 103 103 THR N N 188 113.748 113.578 0.170 1 1 609 . 20 1 1 A 104 104 VAL H H 189 8.013 7.516 0.497 1 1 610 . 20 1 1 A 104 104 VAL HA H 189 4.004 3.719 0.285 1 1 618 . 20 1 1 A 104 104 VAL CA C 189 65.151 66.623 -1.472 1 1 619 . 20 1 1 A 104 104 VAL CB C 189 31.743 31.540 0.203 1 1 622 . 20 1 1 A 104 104 VAL N N 189 122.142 122.133 0.009 1 1 623 . 20 1 1 A 105 105 THR H H 190 8.092 8.193 -0.101 1 1 624 . 20 1 1 A 105 105 THR HA H 190 4.250 4.060 0.190 1 1 629 . 20 1 1 A 105 105 THR CA C 190 64.314 65.696 -1.382 1 1 630 . 20 1 1 A 105 105 THR CB C 190 69.159 68.560 0.599 1 1 632 . 20 1 1 A 105 105 THR N N 190 115.022 115.840 -0.818 1 1 633 . 20 1 1 A 106 106 THR H H 191 8.017 7.857 0.160 1 1 634 . 20 1 1 A 106 106 THR HA H 191 4.214 4.023 0.191 1 1 639 . 20 1 1 A 106 106 THR CA C 191 63.874 65.856 -1.982 1 1 640 . 20 1 1 A 106 106 THR CB C 191 69.009 68.464 0.545 1 1 642 . 20 1 1 A 106 106 THR N N 191 114.622 116.674 -2.052 1 1 643 . 20 1 1 A 107 107 THR H H 192 8.194 8.139 0.055 1 1 644 . 20 1 1 A 107 107 THR CA C 192 64.201 66.054 -1.853 1 1 645 . 20 1 1 A 107 107 THR CB C 192 69.159 68.187 0.972 1 1 647 . 20 1 1 A 107 107 THR N N 192 116.611 117.420 -0.809 1 1 648 . 20 1 1 A 108 108 THR H H 193 7.932 8.204 -0.272 1 1 649 . 20 1 1 A 108 108 THR CA C 193 63.871 66.380 -2.509 1 1 650 . 20 1 1 A 108 108 THR CB C 193 69.002 68.340 0.662 1 1 652 . 20 1 1 A 108 108 THR N N 193 116.096 114.095 2.001 1 1 653 . 20 1 1 A 109 109 LYS H H 194 7.821 7.476 0.345 1 1 654 . 20 1 1 A 109 109 LYS HA H 194 4.364 4.346 0.018 1 1 663 . 20 1 1 A 109 109 LYS CA C 194 56.285 55.891 0.394 1 1 664 . 20 1 1 A 109 109 LYS CB C 194 32.636 33.200 -0.564 1 1 668 . 20 1 1 A 109 109 LYS N N 194 120.975 119.618 1.357 1 1 669 . 20 1 1 A 110 110 GLY H H 195 8.109 7.869 0.240 1 1 670 . 20 1 1 A 110 110 GLY HA2 H 195 3.858 3.940 -0.082 1 1 671 . 20 1 1 A 110 110 GLY HA3 H 195 4.083 3.948 0.135 1 1 672 . 20 1 1 A 110 110 GLY CA C 195 45.511 46.639 -1.128 1 1 673 . 20 1 1 A 110 110 GLY N N 195 108.675 109.441 -0.766 1 1 674 . 20 1 1 A 111 111 GLU H H 196 7.706 7.568 0.138 1 1 675 . 20 1 1 A 111 111 GLU HA H 196 4.258 4.747 -0.489 1 1 680 . 20 1 1 A 111 111 GLU CA C 196 55.837 54.904 0.933 1 1 681 . 20 1 1 A 111 111 GLU CB C 196 30.673 31.709 -1.036 1 1 683 . 20 1 1 A 111 111 GLU N N 196 120.028 119.096 0.932 1 1 684 . 20 1 1 A 112 112 ASN H H 197 8.460 8.708 -0.248 1 1 685 . 20 1 1 A 112 112 ASN HA H 197 4.668 5.331 -0.663 1 1 690 . 20 1 1 A 112 112 ASN CA C 197 52.923 51.870 1.053 1 1 691 . 20 1 1 A 112 112 ASN CB C 197 40.491 41.561 -1.070 1 1 692 . 20 1 1 A 112 112 ASN N N 197 119.716 118.114 1.602 1 1 694 . 20 1 1 A 113 113 PHE H H 198 8.655 8.244 0.411 1 1 695 . 20 1 1 A 113 113 PHE HA H 198 5.262 5.804 -0.542 1 1 698 . 20 1 1 A 113 113 PHE CA C 198 56.640 55.252 1.388 1 1 699 . 20 1 1 A 113 113 PHE CB C 198 39.899 42.400 -2.501 1 1 700 . 20 1 1 A 113 113 PHE N N 198 122.046 117.772 4.274 1 1 701 . 20 1 1 A 114 114 THR H H 199 9.506 8.937 0.569 1 1 702 . 20 1 1 A 114 114 THR HA H 199 4.625 4.834 -0.209 1 1 707 . 20 1 1 A 114 114 THR CA C 199 60.305 59.923 0.382 1 1 708 . 20 1 1 A 114 114 THR CB C 199 72.033 71.648 0.385 1 1 710 . 20 1 1 A 114 114 THR N N 199 116.124 114.237 1.887 1 1 711 . 20 1 1 A 115 115 GLU H H 200 9.120 9.122 -0.002 1 1 712 . 20 1 1 A 115 115 GLU HA H 200 4.051 4.111 -0.060 1 1 717 . 20 1 1 A 115 115 GLU CA C 200 59.877 59.566 0.311 1 1 718 . 20 1 1 A 115 115 GLU CB C 200 28.787 29.186 -0.399 1 1 720 . 20 1 1 A 115 115 GLU N N 200 119.993 121.509 -1.516 1 1 721 . 20 1 1 A 116 116 THR H H 201 7.955 7.665 0.290 1 1 722 . 20 1 1 A 116 116 THR HA H 201 3.794 4.072 -0.278 1 1 727 . 20 1 1 A 116 116 THR CA C 201 66.734 66.613 0.121 1 1 728 . 20 1 1 A 116 116 THR CB C 201 68.624 69.082 -0.458 1 1 730 . 20 1 1 A 116 116 THR N N 201 116.160 117.444 -1.284 1 1 731 . 20 1 1 A 117 117 ASP H H 202 7.505 7.959 -0.454 1 1 732 . 20 1 1 A 117 117 ASP HA H 202 4.577 4.472 0.105 1 1 735 . 20 1 1 A 117 117 ASP CA C 202 58.057 57.130 0.927 1 1 736 . 20 1 1 A 117 117 ASP CB C 202 41.747 41.241 0.506 1 1 737 . 20 1 1 A 117 117 ASP N N 202 120.175 121.742 -1.567 1 1 738 . 20 1 1 A 118 118 VAL H H 203 8.236 8.643 -0.407 1 1 739 . 20 1 1 A 118 118 VAL HA H 203 3.324 3.871 -0.547 1 1 747 . 20 1 1 A 118 118 VAL CA C 203 67.799 65.015 2.784 1 1 748 . 20 1 1 A 118 118 VAL CB C 203 31.269 30.931 0.338 1 1 751 . 20 1 1 A 118 118 VAL N N 203 119.654 118.994 0.660 1 1 752 . 20 1 1 A 119 119 LYS H H 204 7.740 7.938 -0.198 1 1 753 . 20 1 1 A 119 119 LYS HA H 204 4.090 4.020 0.070 1 1 762 . 20 1 1 A 119 119 LYS CA C 204 59.368 58.930 0.438 1 1 763 . 20 1 1 A 119 119 LYS CB C 204 32.165 31.864 0.301 1 1 767 . 20 1 1 A 119 119 LYS N N 204 119.288 121.085 -1.797 1 1 768 . 20 1 1 A 120 120 MET H H 205 8.235 8.126 0.109 1 1 769 . 20 1 1 A 120 120 MET HA H 205 4.158 4.288 -0.130 1 1 777 . 20 1 1 A 120 120 MET CA C 205 59.819 58.195 1.624 1 1 778 . 20 1 1 A 120 120 MET CB C 205 33.078 32.925 0.153 1 1 781 . 20 1 1 A 120 120 MET N N 205 118.767 118.331 0.436 1 1 782 . 20 1 1 A 121 121 MET H H 206 8.755 8.274 0.481 1 1 783 . 20 1 1 A 121 121 MET HA H 206 3.580 4.337 -0.757 1 1 791 . 20 1 1 A 121 121 MET CA C 206 59.639 58.348 1.291 1 1 792 . 20 1 1 A 121 121 MET CB C 206 32.777 32.593 0.184 1 1 795 . 20 1 1 A 121 121 MET N N 206 118.428 118.370 0.058 1 1 796 . 20 1 1 A 122 122 GLU H H 207 8.419 7.884 0.535 1 1 797 . 20 1 1 A 122 122 GLU HA H 207 3.688 4.131 -0.443 1 1 802 . 20 1 1 A 122 122 GLU CA C 207 60.390 59.551 0.839 1 1 803 . 20 1 1 A 122 122 GLU CB C 207 28.448 29.283 -0.835 1 1 805 . 20 1 1 A 122 122 GLU N N 207 118.469 118.389 0.080 1 1 806 . 20 1 1 A 123 123 ARG H H 208 7.344 7.871 -0.527 1 1 807 . 20 1 1 A 123 123 ARG HA H 208 4.163 4.237 -0.074 1 1 815 . 20 1 1 A 123 123 ARG CA C 208 58.537 58.658 -0.121 1 1 816 . 20 1 1 A 123 123 ARG CB C 208 29.925 29.996 -0.071 1 1 819 . 20 1 1 A 123 123 ARG N N 208 116.990 121.381 -4.391 1 1 821 . 20 1 1 A 124 124 VAL H H 209 8.299 7.789 0.510 1 1 822 . 20 1 1 A 124 124 VAL HA H 209 3.798 3.684 0.114 1 1 830 . 20 1 1 A 124 124 VAL CA C 209 65.995 66.334 -0.339 1 1 831 . 20 1 1 A 124 124 VAL CB C 209 32.075 31.813 0.262 1 1 834 . 20 1 1 A 124 124 VAL N N 209 119.301 120.040 -0.739 1 1 835 . 20 1 1 A 125 125 VAL H H 210 9.016 7.862 1.154 1 1 836 . 20 1 1 A 125 125 VAL HA H 210 3.643 3.630 0.013 1 1 844 . 20 1 1 A 125 125 VAL CA C 210 66.591 66.834 -0.243 1 1 845 . 20 1 1 A 125 125 VAL CB C 210 31.836 31.446 0.390 1 1 848 . 20 1 1 A 125 125 VAL N N 210 121.312 121.013 0.299 1 1 849 . 20 1 1 A 126 126 GLU H H 211 8.153 8.098 0.055 1 1 850 . 20 1 1 A 126 126 GLU HA H 211 3.622 3.983 -0.361 1 1 855 . 20 1 1 A 126 126 GLU CA C 211 60.997 60.029 0.968 1 1 856 . 20 1 1 A 126 126 GLU CB C 211 28.921 29.165 -0.244 1 1 858 . 20 1 1 A 126 126 GLU N N 211 120.456 119.894 0.562 1 1 859 . 20 1 1 A 127 127 GLN H H 212 7.274 7.516 -0.242 1 1 862 . 20 1 1 A 127 127 GLN CA C 212 58.803 58.742 0.061 1 1 863 . 20 1 1 A 127 127 GLN N N 212 115.025 119.396 -4.371 1 1 865 . 20 1 1 A 128 128 MET H H 213 8.324 8.151 0.173 1 1 866 . 20 1 1 A 128 128 MET HA H 213 4.146 4.117 0.029 1 1 872 . 20 1 1 A 128 128 MET CA C 213 59.976 58.543 1.433 1 1 873 . 20 1 1 A 128 128 MET CB C 213 31.911 32.442 -0.531 1 1 875 . 20 1 1 A 128 128 MET N N 213 119.344 119.150 0.194 1 1 876 . 20 1 1 A 129 129 CYS H H 214 9.219 8.398 0.821 1 1 877 . 20 1 1 A 129 129 CYS CA C 214 59.821 61.726 -1.905 1 1 878 . 20 1 1 A 129 129 CYS N N 214 118.992 117.817 1.175 1 1 879 . 20 1 1 A 130 130 ILE H H 215 8.340 7.339 1.001 1 1 880 . 20 1 1 A 130 130 ILE HA H 215 3.563 3.795 -0.232 1 1 890 . 20 1 1 A 130 130 ILE CA C 215 66.751 63.926 2.825 1 1 891 . 20 1 1 A 130 130 ILE CB C 215 37.814 36.377 1.437 1 1 895 . 20 1 1 A 130 130 ILE N N 215 123.750 122.000 1.750 1 1 896 . 20 1 1 A 131 131 THR H H 216 8.142 8.129 0.013 1 1 897 . 20 1 1 A 131 131 THR HA H 216 3.940 3.934 0.006 1 1 902 . 20 1 1 A 131 131 THR CA C 216 66.898 66.971 -0.073 1 1 903 . 20 1 1 A 131 131 THR CB C 216 69.608 68.642 0.966 1 1 905 . 20 1 1 A 131 131 THR N N 216 118.528 117.994 0.534 1 1 906 . 20 1 1 A 132 132 GLN H H 217 8.687 7.250 1.437 1 1 907 . 20 1 1 A 132 132 GLN HA H 217 3.688 3.945 -0.257 1 1 914 . 20 1 1 A 132 132 GLN CA C 217 58.527 59.004 -0.477 1 1 915 . 20 1 1 A 132 132 GLN CB C 217 28.353 28.358 -0.005 1 1 917 . 20 1 1 A 132 132 GLN N N 217 121.765 119.758 2.007 1 1 919 . 20 1 1 A 133 133 TYR HA H 218 4.532 4.167 0.365 1 1 926 . 20 1 1 A 133 133 TYR CA C 218 55.867 59.119 -3.252 1 1 927 . 20 1 1 A 133 133 TYR CB C 218 37.912 37.907 0.005 1 1 930 . 20 1 1 A 134 134 GLU H H 219 8.293 8.147 0.146 1 1 931 . 20 1 1 A 134 134 GLU HA H 219 3.689 3.988 -0.299 1 1 936 . 20 1 1 A 134 134 GLU CA C 219 59.268 60.069 -0.801 1 1 937 . 20 1 1 A 134 134 GLU CB C 219 28.324 29.148 -0.824 1 1 939 . 20 1 1 A 134 134 GLU N N 219 120.400 119.891 0.509 1 1 940 . 20 1 1 A 135 135 ARG H H 220 7.887 8.185 -0.298 1 1 941 . 20 1 1 A 135 135 ARG HA H 220 3.981 4.082 -0.101 1 1 949 . 20 1 1 A 135 135 ARG CA C 220 59.266 59.077 0.189 1 1 950 . 20 1 1 A 135 135 ARG CB C 220 30.337 29.975 0.362 1 1 953 . 20 1 1 A 135 135 ARG N N 220 118.589 118.606 -0.017 1 1 955 . 20 1 1 A 137 137 SER HA H 222 3.954 4.153 -0.199 1 1 958 . 20 1 1 A 137 137 SER CA C 222 60.572 61.303 -0.731 1 1 959 . 20 1 1 A 137 137 SER CB C 222 62.761 62.318 0.443 1 1 960 . 20 1 1 A 138 138 GLN H H 223 7.624 7.367 0.257 1 1 961 . 20 1 1 A 138 138 GLN HA H 223 4.153 4.097 0.056 1 1 968 . 20 1 1 A 138 138 GLN CA C 223 57.658 58.543 -0.885 1 1 969 . 20 1 1 A 138 138 GLN CB C 223 28.370 29.153 -0.783 1 1 971 . 20 1 1 A 138 138 GLN N N 223 120.575 122.075 -1.500 1 1 973 . 20 1 1 A 139 139 ALA H H 224 7.627 7.762 -0.135 1 1 974 . 20 1 1 A 139 139 ALA HA H 224 4.156 4.176 -0.020 1 1 978 . 20 1 1 A 139 139 ALA CA C 224 54.017 54.889 -0.872 1 1 979 . 20 1 1 A 139 139 ALA CB C 224 18.645 18.292 0.353 1 1 980 . 20 1 1 A 139 139 ALA N N 224 121.263 122.591 -1.328 1 1 981 . 20 1 1 A 140 140 TYR H H 225 8.048 8.141 -0.093 1 1 982 . 20 1 1 A 140 140 TYR HA H 225 4.204 4.226 -0.022 1 1 989 . 20 1 1 A 140 140 TYR CA C 225 59.890 61.809 -1.919 1 1 990 . 20 1 1 A 140 140 TYR CB C 225 38.994 38.737 0.257 1 1 993 . 20 1 1 A 140 140 TYR N N 225 118.980 120.218 -1.238 1 1 994 . 20 1 1 A 141 141 TYR H H 226 7.948 8.106 -0.158 1 1 995 . 20 1 1 A 141 141 TYR HA H 226 4.375 4.248 0.127 1 1 1002 . 20 1 1 A 141 141 TYR CA C 226 59.036 61.138 -2.102 1 1 1003 . 20 1 1 A 141 141 TYR CB C 226 38.060 38.506 -0.446 1 1 1006 . 20 1 1 A 141 141 TYR N N 226 118.596 120.486 -1.890 1 1 1007 . 20 1 1 A 142 142 GLN H H 227 7.941 7.535 0.406 1 1 1008 . 20 1 1 A 142 142 GLN HA H 227 4.240 4.341 -0.101 1 1 1015 . 20 1 1 A 142 142 GLN CA C 227 56.346 56.939 -0.593 1 1 1016 . 20 1 1 A 142 142 GLN CB C 227 28.912 28.226 0.686 1 1 1018 . 20 1 1 A 142 142 GLN N N 227 119.883 118.760 1.123 1 1 1020 . 20 1 1 A 143 143 ARG H H 228 7.966 8.484 -0.518 1 1 1021 . 20 1 1 A 143 143 ARG HA H 228 4.244 4.430 -0.186 1 1 1029 . 20 1 1 A 143 143 ARG CA C 228 56.719 54.873 1.846 1 1 1030 . 20 1 1 A 143 143 ARG CB C 228 30.731 31.712 -0.981 1 1 1033 . 20 1 1 A 143 143 ARG N N 228 120.871 121.832 -0.961 1 1 1035 . 20 1 1 A 144 144 GLY H H 229 8.247 8.434 -0.187 1 1 1036 . 20 1 1 A 144 144 GLY HA2 H 229 3.992 3.872 0.120 1 1 1037 . 20 1 1 A 144 144 GLY HA3 H 229 3.992 3.901 0.091 1 1 1038 . 20 1 1 A 144 144 GLY CA C 229 45.359 46.374 -1.015 1 1 1039 . 20 1 1 A 144 144 GLY N N 229 109.072 110.558 -1.486 1 1 1040 . 20 1 1 A 145 145 SER H H 230 8.139 7.907 0.232 1 1 1041 . 20 1 1 A 145 145 SER HA H 230 4.506 4.514 -0.008 1 1 1044 . 20 1 1 A 145 145 SER CA C 230 58.123 57.967 0.156 1 1 1045 . 20 1 1 A 145 145 SER CB C 230 63.878 63.480 0.398 1 1 1046 . 20 1 1 A 145 145 SER N N 230 115.684 117.831 -2.147 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 96 1.397 1 3 1 1 1 "RMS(OBS, PRED)" CB 85 1.956 1 4 1 1 1 "RMS(OBS, PRED)" H 92 0.640 1 5 1 1 1 "RMS(OBS, PRED)" HA 90 0.319 1 6 1 1 1 "RMS(OBS, PRED)" N 92 2.652 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 96 1.396 1 9 1 2 1 "RMS(OBS, PRED)" CB 85 1.925 1 10 1 2 1 "RMS(OBS, PRED)" H 92 0.567 1 11 1 2 1 "RMS(OBS, PRED)" HA 90 0.290 1 12 1 2 1 "RMS(OBS, PRED)" N 92 2.595 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 96 1.412 1 15 1 3 1 "RMS(OBS, PRED)" CB 85 1.934 1 16 1 3 1 "RMS(OBS, PRED)" H 92 0.615 1 17 1 3 1 "RMS(OBS, PRED)" HA 90 0.335 1 18 1 3 1 "RMS(OBS, PRED)" N 92 2.725 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 96 1.397 1 21 1 4 1 "RMS(OBS, PRED)" CB 85 2.036 1 22 1 4 1 "RMS(OBS, PRED)" H 92 0.655 1 23 1 4 1 "RMS(OBS, PRED)" HA 90 0.350 1 24 1 4 1 "RMS(OBS, PRED)" N 92 2.549 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 96 1.393 1 27 1 5 1 "RMS(OBS, PRED)" CB 85 2.035 1 28 1 5 1 "RMS(OBS, PRED)" H 92 0.607 1 29 1 5 1 "RMS(OBS, PRED)" HA 90 0.304 1 30 1 5 1 "RMS(OBS, PRED)" N 92 2.561 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 96 1.446 1 33 1 6 1 "RMS(OBS, PRED)" CB 85 2.003 1 34 1 6 1 "RMS(OBS, PRED)" H 92 0.644 1 35 1 6 1 "RMS(OBS, PRED)" HA 90 0.325 1 36 1 6 1 "RMS(OBS, PRED)" N 92 2.652 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 96 1.332 1 39 1 7 1 "RMS(OBS, PRED)" CB 85 1.872 1 40 1 7 1 "RMS(OBS, PRED)" H 92 0.618 1 41 1 7 1 "RMS(OBS, PRED)" HA 90 0.323 1 42 1 7 1 "RMS(OBS, PRED)" N 92 2.754 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 96 1.425 1 45 1 8 1 "RMS(OBS, PRED)" CB 85 1.872 1 46 1 8 1 "RMS(OBS, PRED)" H 92 0.592 1 47 1 8 1 "RMS(OBS, PRED)" HA 90 0.318 1 48 1 8 1 "RMS(OBS, PRED)" N 92 2.604 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 96 1.447 1 51 1 9 1 "RMS(OBS, PRED)" CB 85 1.942 1 52 1 9 1 "RMS(OBS, PRED)" H 92 0.606 1 53 1 9 1 "RMS(OBS, PRED)" HA 90 0.306 1 54 1 9 1 "RMS(OBS, PRED)" N 92 2.652 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 96 1.355 1 57 1 10 1 "RMS(OBS, PRED)" CB 85 1.913 1 58 1 10 1 "RMS(OBS, PRED)" H 92 0.629 1 59 1 10 1 "RMS(OBS, PRED)" HA 90 0.301 1 60 1 10 1 "RMS(OBS, PRED)" N 92 2.443 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 96 1.380 1 63 1 11 1 "RMS(OBS, PRED)" CB 85 2.000 1 64 1 11 1 "RMS(OBS, PRED)" H 92 0.560 1 65 1 11 1 "RMS(OBS, PRED)" HA 90 0.335 1 66 1 11 1 "RMS(OBS, PRED)" N 92 2.607 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 96 1.333 1 69 1 12 1 "RMS(OBS, PRED)" CB 85 1.881 1 70 1 12 1 "RMS(OBS, PRED)" H 92 0.564 1 71 1 12 1 "RMS(OBS, PRED)" HA 90 0.313 1 72 1 12 1 "RMS(OBS, PRED)" N 92 2.444 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 96 1.329 1 75 1 13 1 "RMS(OBS, PRED)" CB 85 1.889 1 76 1 13 1 "RMS(OBS, PRED)" H 92 0.621 1 77 1 13 1 "RMS(OBS, PRED)" HA 90 0.309 1 78 1 13 1 "RMS(OBS, PRED)" N 92 2.727 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 96 1.513 1 81 1 14 1 "RMS(OBS, PRED)" CB 85 1.874 1 82 1 14 1 "RMS(OBS, PRED)" H 92 0.554 1 83 1 14 1 "RMS(OBS, PRED)" HA 90 0.299 1 84 1 14 1 "RMS(OBS, PRED)" N 92 2.467 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 96 1.404 1 87 1 15 1 "RMS(OBS, PRED)" CB 85 1.905 1 88 1 15 1 "RMS(OBS, PRED)" H 92 0.587 1 89 1 15 1 "RMS(OBS, PRED)" HA 90 0.308 1 90 1 15 1 "RMS(OBS, PRED)" N 92 2.872 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 96 1.462 1 93 1 16 1 "RMS(OBS, PRED)" CB 85 1.931 1 94 1 16 1 "RMS(OBS, PRED)" H 92 0.620 1 95 1 16 1 "RMS(OBS, PRED)" HA 90 0.300 1 96 1 16 1 "RMS(OBS, PRED)" N 92 2.387 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 96 1.495 1 99 1 17 1 "RMS(OBS, PRED)" CB 85 1.917 1 100 1 17 1 "RMS(OBS, PRED)" H 92 0.587 1 101 1 17 1 "RMS(OBS, PRED)" HA 90 0.308 1 102 1 17 1 "RMS(OBS, PRED)" N 92 2.425 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 96 1.347 1 105 1 18 1 "RMS(OBS, PRED)" CB 85 1.952 1 106 1 18 1 "RMS(OBS, PRED)" H 92 0.639 1 107 1 18 1 "RMS(OBS, PRED)" HA 90 0.316 1 108 1 18 1 "RMS(OBS, PRED)" N 92 2.905 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 96 1.365 1 111 1 19 1 "RMS(OBS, PRED)" CB 85 1.820 1 112 1 19 1 "RMS(OBS, PRED)" H 92 0.590 1 113 1 19 1 "RMS(OBS, PRED)" HA 90 0.312 1 114 1 19 1 "RMS(OBS, PRED)" N 92 2.374 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 96 1.447 1 117 1 20 1 "RMS(OBS, PRED)" CB 85 1.892 1 118 1 20 1 "RMS(OBS, PRED)" H 92 0.596 1 119 1 20 1 "RMS(OBS, PRED)" HA 90 0.301 1 120 1 20 1 "RMS(OBS, PRED)" N 92 2.741 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 16 . 1 1 A 41 41 GLY H H 126 8.484 8.341 0.143 2 1 17 . 1 1 A 41 41 GLY HA2 H 126 3.861 4.023 -0.162 2 1 18 . 1 1 A 41 41 GLY HA3 H 126 3.920 4.046 -0.126 2 1 19 . 1 1 A 41 41 GLY CA C 126 46.260 45.942 0.318 2 1 20 . 1 1 A 41 41 GLY N N 126 109.470 108.430 1.041 2 1 21 . 1 1 A 42 42 GLY H H 127 8.326 8.166 0.160 2 1 22 . 1 1 A 42 42 GLY HA2 H 127 3.749 3.861 -0.112 2 1 23 . 1 1 A 42 42 GLY HA3 H 127 3.900 3.966 -0.066 2 1 24 . 1 1 A 42 42 GLY CA C 127 45.226 45.964 -0.737 2 1 25 . 1 1 A 42 42 GLY N N 127 109.020 108.269 0.751 2 1 26 . 1 1 A 43 43 TYR H H 128 7.692 7.965 -0.273 2 1 27 . 1 1 A 43 43 TYR HA H 128 4.675 4.710 -0.035 2 1 34 . 1 1 A 43 43 TYR CA C 128 57.271 57.884 -0.613 2 1 35 . 1 1 A 43 43 TYR CB C 128 40.257 39.103 1.154 2 1 38 . 1 1 A 43 43 TYR N N 128 117.301 118.862 -1.561 2 1 39 . 1 1 A 44 44 VAL H H 129 8.974 8.588 0.386 2 1 40 . 1 1 A 44 44 VAL HA H 129 4.344 4.382 -0.038 2 1 48 . 1 1 A 44 44 VAL CA C 129 59.555 61.993 -2.438 2 1 49 . 1 1 A 44 44 VAL CB C 129 34.728 32.827 1.901 2 1 52 . 1 1 A 44 44 VAL N N 129 118.589 123.515 -4.926 2 1 53 . 1 1 A 45 45 LEU H H 130 8.029 8.626 -0.597 2 1 62 . 1 1 A 45 45 LEU N N 130 123.350 126.760 -3.410 2 1 63 . 1 1 A 46 46 GLY H H 131 9.278 8.351 0.927 2 1 64 . 1 1 A 46 46 GLY CA C 131 44.842 45.900 -1.058 2 1 65 . 1 1 A 46 46 GLY N N 131 114.623 111.663 2.960 2 1 66 . 1 1 A 47 47 SER H H 132 8.315 8.101 0.214 2 1 67 . 1 1 A 47 47 SER HA H 132 4.438 4.666 -0.228 2 1 70 . 1 1 A 47 47 SER CA C 132 58.520 58.017 0.503 2 1 71 . 1 1 A 47 47 SER CB C 132 64.166 64.580 -0.414 2 1 72 . 1 1 A 47 47 SER N N 132 113.038 115.133 -2.095 2 1 73 . 1 1 A 48 48 ALA H H 133 8.736 8.162 0.574 2 1 74 . 1 1 A 48 48 ALA HA H 133 4.425 4.512 -0.087 2 1 78 . 1 1 A 48 48 ALA CA C 133 53.090 51.788 1.301 2 1 79 . 1 1 A 48 48 ALA CB C 133 18.465 20.468 -2.003 2 1 80 . 1 1 A 48 48 ALA N N 133 125.270 123.323 1.947 2 1 81 . 1 1 A 49 49 MET H H 134 8.758 8.774 -0.016 2 1 82 . 1 1 A 49 49 MET HA H 134 4.754 5.086 -0.332 2 1 90 . 1 1 A 49 49 MET CA C 134 53.972 54.197 -0.225 2 1 91 . 1 1 A 49 49 MET CB C 134 37.222 36.027 1.195 2 1 94 . 1 1 A 49 49 MET N N 134 120.911 117.844 3.067 2 1 95 . 1 1 A 50 50 SER H H 135 8.430 8.732 -0.302 2 1 96 . 1 1 A 50 50 SER HA H 135 4.356 4.697 -0.342 2 1 99 . 1 1 A 50 50 SER CA C 135 58.630 57.699 0.931 2 1 100 . 1 1 A 50 50 SER CB C 135 63.575 64.202 -0.627 2 1 101 . 1 1 A 50 50 SER N N 135 116.162 117.437 -1.275 2 1 102 . 1 1 A 51 51 ARG H H 136 8.646 8.851 -0.205 2 1 103 . 1 1 A 51 51 ARG HA H 136 4.434 4.022 0.412 2 1 111 . 1 1 A 51 51 ARG CA C 136 54.863 56.228 -1.365 2 1 112 . 1 1 A 51 51 ARG CB C 136 30.519 29.067 1.452 2 1 115 . 1 1 A 51 51 ARG N N 136 126.460 122.591 3.869 2 1 117 . 1 1 A 52 52 PRO HA H 137 4.413 4.521 -0.108 2 1 124 . 1 1 A 52 52 PRO CA C 137 62.198 64.157 -1.959 2 1 125 . 1 1 A 52 52 PRO CB C 137 32.165 31.609 0.556 2 1 128 . 1 1 A 53 53 ILE H H 138 8.647 7.752 0.895 2 1 129 . 1 1 A 53 53 ILE HA H 138 4.160 4.186 -0.026 2 1 139 . 1 1 A 53 53 ILE CA C 138 60.851 61.181 -0.330 2 1 140 . 1 1 A 53 53 ILE CB C 138 36.101 38.077 -1.976 2 1 144 . 1 1 A 53 53 ILE N N 138 122.534 118.970 3.564 2 1 145 . 1 1 A 54 54 ILE H H 139 6.485 8.728 -2.243 2 1 146 . 1 1 A 54 54 ILE HA H 139 3.926 4.607 -0.681 2 1 156 . 1 1 A 54 54 ILE CA C 139 58.665 59.531 -0.866 2 1 157 . 1 1 A 54 54 ILE CB C 139 39.251 40.311 -1.060 2 1 161 . 1 1 A 54 54 ILE N N 139 126.733 129.090 -2.357 2 1 162 . 1 1 A 55 55 HIS H H 140 8.249 8.484 -0.235 2 1 163 . 1 1 A 55 55 HIS HA H 140 4.935 4.276 0.659 2 1 167 . 1 1 A 55 55 HIS CA C 140 54.209 56.619 -2.410 2 1 168 . 1 1 A 55 55 HIS CB C 140 29.326 30.066 -0.740 2 1 170 . 1 1 A 55 55 HIS N N 140 122.048 125.719 -3.671 2 1 171 . 1 1 A 56 56 PHE H H 141 10.205 8.438 1.768 2 1 172 . 1 1 A 56 56 PHE HA H 141 4.360 4.027 0.333 2 1 175 . 1 1 A 56 56 PHE CA C 141 59.367 60.450 -1.083 2 1 176 . 1 1 A 56 56 PHE CB C 141 41.594 39.531 2.063 2 1 177 . 1 1 A 56 56 PHE N N 141 124.145 123.903 0.242 2 1 178 . 1 1 A 57 57 GLY H H 142 9.008 8.412 0.596 2 1 179 . 1 1 A 57 57 GLY HA2 H 142 3.835 3.997 -0.162 2 1 180 . 1 1 A 57 57 GLY HA3 H 142 4.168 4.024 0.144 2 1 181 . 1 1 A 57 57 GLY CA C 142 45.777 45.553 0.224 2 1 182 . 1 1 A 57 57 GLY N N 142 108.268 107.725 0.543 2 1 183 . 1 1 A 58 58 SER H H 143 7.327 7.897 -0.570 2 1 184 . 1 1 A 58 58 SER HA H 143 4.820 4.807 0.013 2 1 187 . 1 1 A 58 58 SER CA C 143 56.405 57.416 -1.011 2 1 188 . 1 1 A 58 58 SER CB C 143 66.034 65.426 0.608 2 1 189 . 1 1 A 58 58 SER N N 143 111.827 114.967 -3.140 2 1 190 . 1 1 A 59 59 ASP H H 144 9.051 9.009 0.042 2 1 191 . 1 1 A 59 59 ASP HA H 144 4.502 4.156 0.346 2 1 194 . 1 1 A 59 59 ASP CA C 144 57.676 57.273 0.403 2 1 195 . 1 1 A 59 59 ASP CB C 144 40.505 40.147 0.359 2 1 196 . 1 1 A 59 59 ASP N N 144 124.541 126.878 -2.337 2 1 197 . 1 1 A 60 60 TYR H H 145 8.571 7.732 0.839 2 1 198 . 1 1 A 60 60 TYR HA H 145 4.197 4.237 -0.040 2 1 205 . 1 1 A 60 60 TYR CA C 145 61.232 61.494 -0.262 2 1 206 . 1 1 A 60 60 TYR CB C 145 37.912 38.007 -0.095 2 1 209 . 1 1 A 60 60 TYR N N 145 118.914 119.224 -0.310 2 1 210 . 1 1 A 61 61 GLU H H 146 7.737 8.436 -0.699 2 1 211 . 1 1 A 61 61 GLU HA H 146 3.590 4.173 -0.583 2 1 216 . 1 1 A 61 61 GLU CA C 146 59.607 59.665 -0.058 2 1 217 . 1 1 A 61 61 GLU CB C 146 30.059 29.151 0.908 2 1 219 . 1 1 A 61 61 GLU N N 146 118.985 119.430 -0.445 2 1 220 . 1 1 A 62 62 ASP H H 147 8.213 8.485 -0.272 2 1 221 . 1 1 A 62 62 ASP HA H 147 4.666 4.372 0.294 2 1 224 . 1 1 A 62 62 ASP CA C 147 58.292 57.271 1.021 2 1 225 . 1 1 A 62 62 ASP CB C 147 40.171 41.546 -1.375 2 1 226 . 1 1 A 62 62 ASP N N 147 119.785 119.908 -0.123 2 1 227 . 1 1 A 63 63 ARG H H 148 8.229 7.854 0.375 2 1 228 . 1 1 A 63 63 ARG HA H 148 4.016 4.017 -0.001 2 1 236 . 1 1 A 63 63 ARG CA C 148 59.611 59.721 -0.110 2 1 237 . 1 1 A 63 63 ARG CB C 148 30.059 29.981 0.078 2 1 240 . 1 1 A 63 63 ARG N N 148 120.339 119.259 1.080 2 1 242 . 1 1 A 64 64 TYR H H 149 8.340 8.277 0.063 2 1 243 . 1 1 A 64 64 TYR HA H 149 3.829 4.303 -0.474 2 1 250 . 1 1 A 64 64 TYR CA C 149 61.991 61.021 0.970 2 1 251 . 1 1 A 64 64 TYR CB C 149 38.417 38.274 0.143 2 1 254 . 1 1 A 64 64 TYR N N 149 121.093 121.141 -0.048 2 1 255 . 1 1 A 65 65 TYR H H 150 8.979 8.483 0.496 2 1 256 . 1 1 A 65 65 TYR HA H 150 4.132 4.235 -0.103 2 1 263 . 1 1 A 65 65 TYR CA C 150 62.691 61.082 1.609 2 1 264 . 1 1 A 65 65 TYR CB C 150 38.025 38.801 -0.776 2 1 267 . 1 1 A 65 65 TYR N N 150 120.575 120.879 -0.304 2 1 268 . 1 1 A 66 66 ARG H H 151 7.997 8.080 -0.083 2 1 269 . 1 1 A 66 66 ARG HA H 151 3.925 3.896 0.029 2 1 277 . 1 1 A 66 66 ARG CA C 151 60.050 59.139 0.911 2 1 278 . 1 1 A 66 66 ARG CB C 151 29.901 29.613 0.288 2 1 281 . 1 1 A 66 66 ARG N N 151 117.799 119.155 -1.356 2 1 283 . 1 1 A 67 67 GLU H H 152 8.076 7.938 0.138 2 1 284 . 1 1 A 67 67 GLU HA H 152 4.082 4.071 0.011 2 1 289 . 1 1 A 67 67 GLU CA C 152 58.125 58.192 -0.067 2 1 290 . 1 1 A 67 67 GLU CB C 152 29.743 29.657 0.086 2 1 292 . 1 1 A 67 67 GLU N N 152 116.601 117.505 -0.904 2 1 293 . 1 1 A 68 68 ASN H H 153 7.621 7.842 -0.221 2 1 294 . 1 1 A 68 68 ASN HA H 153 4.321 4.616 -0.295 2 1 299 . 1 1 A 68 68 ASN CA C 153 54.958 55.608 -0.650 2 1 300 . 1 1 A 68 68 ASN CB C 153 41.041 38.513 2.529 2 1 301 . 1 1 A 68 68 ASN N N 153 114.623 118.043 -3.420 2 1 303 . 1 1 A 69 69 MET H H 154 8.105 8.223 -0.118 2 1 304 . 1 1 A 69 69 MET HA H 154 3.458 3.906 -0.448 2 1 312 . 1 1 A 69 69 MET CA C 154 59.104 57.957 1.147 2 1 313 . 1 1 A 69 69 MET CB C 154 30.533 31.949 -1.416 2 1 316 . 1 1 A 69 69 MET N N 154 119.633 117.693 1.940 2 1 317 . 1 1 A 70 70 HIS H H 155 8.070 7.932 0.138 2 1 319 . 1 1 A 70 70 HIS CA C 155 57.650 58.986 -1.336 2 1 320 . 1 1 A 70 70 HIS CB C 155 27.591 29.772 -2.181 2 1 322 . 1 1 A 70 70 HIS N N 155 115.018 117.728 -2.710 2 1 323 . 1 1 A 71 71 ARG H H 156 7.618 7.984 -0.366 2 1 325 . 1 1 A 71 71 ARG CA C 156 56.278 55.629 0.649 2 1 326 . 1 1 A 71 71 ARG CB C 156 30.770 30.545 0.225 2 1 329 . 1 1 A 71 71 ARG N N 156 118.197 116.105 2.092 2 1 331 . 1 1 A 72 72 TYR H H 157 7.473 7.965 -0.492 2 1 332 . 1 1 A 72 72 TYR HA H 157 5.034 4.681 0.353 2 1 339 . 1 1 A 72 72 TYR CA C 157 52.768 56.584 -3.816 2 1 340 . 1 1 A 72 72 TYR CB C 157 35.150 38.430 -3.280 2 1 343 . 1 1 A 72 72 TYR N N 157 120.873 119.434 1.439 2 1 344 . 1 1 A 73 73 PRO HA H 158 4.425 4.581 -0.156 2 1 351 . 1 1 A 73 73 PRO CA C 158 63.737 62.713 1.024 2 1 352 . 1 1 A 73 73 PRO CB C 158 32.071 32.050 0.021 2 1 355 . 1 1 A 74 74 ASN H H 159 8.562 8.535 0.027 2 1 356 . 1 1 A 74 74 ASN HA H 159 4.708 4.779 -0.070 2 1 361 . 1 1 A 74 74 ASN CA C 159 51.965 52.534 -0.569 2 1 362 . 1 1 A 74 74 ASN CB C 159 37.898 39.200 -1.302 2 1 363 . 1 1 A 74 74 ASN N N 159 116.213 119.313 -3.100 2 1 365 . 1 1 A 75 75 GLN H H 160 7.302 7.529 -0.227 2 1 366 . 1 1 A 75 75 GLN HA H 160 4.479 4.640 -0.161 2 1 371 . 1 1 A 75 75 GLN CA C 160 54.184 54.883 -0.699 2 1 372 . 1 1 A 75 75 GLN CB C 160 34.167 32.360 1.807 2 1 373 . 1 1 A 75 75 GLN N N 160 114.122 118.642 -4.520 2 1 375 . 1 1 A 76 76 VAL H H 161 8.635 8.597 0.038 2 1 376 . 1 1 A 76 76 VAL HA H 161 4.916 4.869 0.047 2 1 384 . 1 1 A 76 76 VAL CA C 161 58.557 59.815 -1.258 2 1 385 . 1 1 A 76 76 VAL CB C 161 33.635 34.868 -1.233 2 1 388 . 1 1 A 76 76 VAL N N 161 112.903 118.134 -5.231 2 1 389 . 1 1 A 77 77 TYR H H 162 8.554 8.785 -0.231 2 1 390 . 1 1 A 77 77 TYR HA H 162 5.440 5.113 0.327 2 1 397 . 1 1 A 77 77 TYR CA C 162 57.057 56.809 0.249 2 1 398 . 1 1 A 77 77 TYR CB C 162 42.147 41.483 0.664 2 1 401 . 1 1 A 77 77 TYR N N 162 120.972 123.349 -2.377 2 1 402 . 1 1 A 78 78 TYR H H 163 8.686 8.831 -0.145 2 1 403 . 1 1 A 78 78 TYR HA H 163 4.797 5.441 -0.644 2 1 410 . 1 1 A 78 78 TYR CA C 163 55.484 55.879 -0.395 2 1 413 . 1 1 A 78 78 TYR N N 163 111.059 121.040 -9.981 2 1 429 . 1 1 A 86 86 ASN HA H 171 4.733 4.808 -0.075 2 1 434 . 1 1 A 86 86 ASN CA C 171 52.388 53.485 -1.097 2 1 435 . 1 1 A 86 86 ASN CB C 171 39.935 39.684 0.251 2 1 437 . 1 1 A 87 87 GLN H H 172 8.740 8.852 -0.112 2 1 440 . 1 1 A 87 87 GLN CA C 172 59.906 59.082 0.824 2 1 441 . 1 1 A 87 87 GLN CB C 172 29.065 28.385 0.680 2 1 443 . 1 1 A 87 87 GLN N N 172 121.279 121.715 -0.436 2 1 445 . 1 1 A 88 88 ASN H H 173 8.427 8.291 0.136 2 1 446 . 1 1 A 88 88 ASN HA H 173 4.255 4.441 -0.186 2 1 451 . 1 1 A 88 88 ASN CA C 173 56.396 56.403 -0.007 2 1 452 . 1 1 A 88 88 ASN CB C 173 37.912 38.471 -0.559 2 1 453 . 1 1 A 88 88 ASN N N 173 116.210 118.186 -1.976 2 1 455 . 1 1 A 89 89 ASN H H 174 8.542 8.121 0.421 2 1 456 . 1 1 A 89 89 ASN HA H 174 4.509 4.513 -0.004 2 1 461 . 1 1 A 89 89 ASN CA C 174 56.013 56.205 -0.192 2 1 462 . 1 1 A 89 89 ASN CB C 174 38.359 38.262 0.097 2 1 463 . 1 1 A 89 89 ASN N N 174 118.573 117.758 0.815 2 1 465 . 1 1 A 90 90 PHE H H 175 8.113 8.076 0.037 2 1 466 . 1 1 A 90 90 PHE CA C 175 61.432 61.231 0.200 2 1 467 . 1 1 A 90 90 PHE N N 175 120.437 121.316 -0.879 2 1 468 . 1 1 A 91 91 VAL H H 176 9.215 8.077 1.138 2 1 469 . 1 1 A 91 91 VAL HA H 176 3.608 3.507 0.101 2 1 477 . 1 1 A 91 91 VAL CA C 176 67.888 66.422 1.466 2 1 478 . 1 1 A 91 91 VAL CB C 176 32.042 31.519 0.523 2 1 480 . 1 1 A 91 91 VAL N N 176 120.071 119.229 0.842 2 1 481 . 1 1 A 92 92 HIS H H 177 8.497 7.798 0.699 2 1 482 . 1 1 A 92 92 HIS HA H 177 4.353 4.263 0.090 2 1 485 . 1 1 A 92 92 HIS CA C 177 59.251 59.696 -0.445 2 1 486 . 1 1 A 92 92 HIS CB C 177 28.104 29.746 -1.642 2 1 487 . 1 1 A 92 92 HIS N N 177 117.399 118.215 -0.816 2 1 488 . 1 1 A 93 93 ASN H H 178 7.860 8.292 -0.432 2 1 489 . 1 1 A 93 93 ASN HA H 178 4.521 4.380 0.141 2 1 494 . 1 1 A 93 93 ASN CA C 178 56.244 56.388 -0.144 2 1 495 . 1 1 A 93 93 ASN CB C 178 37.934 37.944 -0.010 2 1 496 . 1 1 A 93 93 ASN N N 178 116.474 117.063 -0.589 2 1 498 . 1 1 A 94 94 CYS H H 179 8.133 7.997 0.136 2 1 499 . 1 1 A 94 94 CYS CA C 179 58.595 62.985 -4.390 2 1 500 . 1 1 A 94 94 CYS CB C 179 40.911 27.130 13.781 2 1 501 . 1 1 A 94 94 CYS N N 179 120.418 118.742 1.676 2 1 502 . 1 1 A 95 95 VAL H H 180 9.280 7.581 1.699 2 1 503 . 1 1 A 95 95 VAL HA H 180 3.654 3.521 0.133 2 1 511 . 1 1 A 95 95 VAL CA C 180 66.400 66.866 -0.466 2 1 512 . 1 1 A 95 95 VAL CB C 180 31.912 31.502 0.410 2 1 515 . 1 1 A 95 95 VAL N N 180 125.212 121.219 3.994 2 1 516 . 1 1 A 96 96 ASN H H 181 7.696 8.108 -0.412 2 1 517 . 1 1 A 96 96 ASN HA H 181 4.321 4.454 -0.133 2 1 522 . 1 1 A 96 96 ASN CA C 181 56.419 56.557 -0.138 2 1 523 . 1 1 A 96 96 ASN CB C 181 38.654 38.778 -0.124 2 1 524 . 1 1 A 96 96 ASN N N 181 115.816 118.629 -2.813 2 1 526 . 1 1 A 97 97 ILE H H 182 8.385 7.453 0.932 2 1 527 . 1 1 A 97 97 ILE HA H 182 3.726 3.647 0.079 2 1 537 . 1 1 A 97 97 ILE CA C 182 62.446 65.198 -2.753 2 1 538 . 1 1 A 97 97 ILE CB C 182 36.464 37.537 -1.073 2 1 542 . 1 1 A 97 97 ILE N N 182 118.191 119.827 -1.636 2 1 543 . 1 1 A 98 98 THR H H 183 8.157 7.695 0.462 2 1 544 . 1 1 A 98 98 THR HA H 183 4.078 3.994 0.084 2 1 549 . 1 1 A 98 98 THR CA C 183 68.807 66.866 1.941 2 1 550 . 1 1 A 98 98 THR CB C 183 68.239 68.641 -0.401 2 1 552 . 1 1 A 98 98 THR N N 183 117.797 117.197 0.600 2 1 553 . 1 1 A 99 99 ILE H H 184 8.528 7.752 0.776 2 1 554 . 1 1 A 99 99 ILE HA H 184 3.727 3.619 0.108 2 1 564 . 1 1 A 99 99 ILE CA C 184 65.621 65.077 0.544 2 1 565 . 1 1 A 99 99 ILE CB C 184 36.531 37.153 -0.622 2 1 569 . 1 1 A 99 99 ILE N N 184 120.576 121.270 -0.695 2 1 570 . 1 1 A 100 100 LYS H H 185 7.953 8.143 -0.189 2 1 571 . 1 1 A 100 100 LYS HA H 185 4.068 3.927 0.141 2 1 580 . 1 1 A 100 100 LYS CA C 185 59.636 59.792 -0.156 2 1 581 . 1 1 A 100 100 LYS CB C 185 31.989 32.501 -0.512 2 1 585 . 1 1 A 100 100 LYS N N 185 122.562 121.345 1.217 2 1 586 . 1 1 A 101 101 GLN H H 186 8.376 7.856 0.520 2 1 589 . 1 1 A 101 101 GLN CA C 186 57.741 58.685 -0.944 2 1 590 . 1 1 A 101 101 GLN N N 186 116.213 118.408 -2.195 2 1 592 . 1 1 A 102 102 HIS H H 187 8.199 7.980 0.219 2 1 593 . 1 1 A 102 102 HIS HA H 187 4.593 4.331 0.262 2 1 596 . 1 1 A 102 102 HIS CA C 187 59.062 59.255 -0.193 2 1 597 . 1 1 A 102 102 HIS CB C 187 30.384 29.963 0.421 2 1 598 . 1 1 A 102 102 HIS N N 187 118.199 120.858 -2.659 2 1 599 . 1 1 A 103 103 THR H H 188 8.245 8.237 0.008 2 1 600 . 1 1 A 103 103 THR HA H 188 4.184 4.120 0.064 2 1 605 . 1 1 A 103 103 THR CA C 188 65.017 65.273 -0.256 2 1 606 . 1 1 A 103 103 THR CB C 188 69.167 68.696 0.471 2 1 608 . 1 1 A 103 103 THR N N 188 113.748 113.932 -0.184 2 1 609 . 1 1 A 104 104 VAL H H 189 8.013 7.996 0.017 2 1 610 . 1 1 A 104 104 VAL HA H 189 4.004 3.595 0.409 2 1 618 . 1 1 A 104 104 VAL CA C 189 65.151 66.816 -1.665 2 1 619 . 1 1 A 104 104 VAL CB C 189 31.743 31.681 0.062 2 1 622 . 1 1 A 104 104 VAL N N 189 122.142 121.425 0.717 2 1 623 . 1 1 A 105 105 THR H H 190 8.092 7.921 0.171 2 1 624 . 1 1 A 105 105 THR HA H 190 4.250 3.966 0.284 2 1 629 . 1 1 A 105 105 THR CA C 190 64.314 65.700 -1.386 2 1 630 . 1 1 A 105 105 THR CB C 190 69.159 68.282 0.877 2 1 632 . 1 1 A 105 105 THR N N 190 115.022 115.687 -0.665 2 1 633 . 1 1 A 106 106 THR H H 191 8.017 7.800 0.217 2 1 634 . 1 1 A 106 106 THR HA H 191 4.214 4.020 0.194 2 1 639 . 1 1 A 106 106 THR CA C 191 63.874 65.727 -1.853 2 1 640 . 1 1 A 106 106 THR CB C 191 69.009 68.476 0.533 2 1 642 . 1 1 A 106 106 THR N N 191 114.622 116.478 -1.856 2 1 643 . 1 1 A 107 107 THR H H 192 8.194 7.967 0.227 2 1 644 . 1 1 A 107 107 THR CA C 192 64.201 65.749 -1.548 2 1 645 . 1 1 A 107 107 THR CB C 192 69.159 68.399 0.760 2 1 647 . 1 1 A 107 107 THR N N 192 116.611 116.288 0.323 2 1 648 . 1 1 A 108 108 THR H H 193 7.932 8.155 -0.224 2 1 649 . 1 1 A 108 108 THR CA C 193 63.871 66.424 -2.553 2 1 650 . 1 1 A 108 108 THR CB C 193 69.002 68.579 0.423 2 1 652 . 1 1 A 108 108 THR N N 193 116.096 116.182 -0.086 2 1 653 . 1 1 A 109 109 LYS H H 194 7.821 7.667 0.154 2 1 654 . 1 1 A 109 109 LYS HA H 194 4.364 4.377 -0.013 2 1 663 . 1 1 A 109 109 LYS CA C 194 56.285 56.162 0.123 2 1 664 . 1 1 A 109 109 LYS CB C 194 32.636 33.264 -0.628 2 1 668 . 1 1 A 109 109 LYS N N 194 120.975 118.769 2.207 2 1 669 . 1 1 A 110 110 GLY H H 195 8.109 7.970 0.139 2 1 670 . 1 1 A 110 110 GLY HA2 H 195 3.858 3.920 -0.062 2 1 671 . 1 1 A 110 110 GLY HA3 H 195 4.083 3.925 0.158 2 1 672 . 1 1 A 110 110 GLY CA C 195 45.511 46.473 -0.962 2 1 673 . 1 1 A 110 110 GLY N N 195 108.675 109.197 -0.522 2 1 674 . 1 1 A 111 111 GLU H H 196 7.706 7.750 -0.044 2 1 675 . 1 1 A 111 111 GLU HA H 196 4.258 4.860 -0.602 2 1 680 . 1 1 A 111 111 GLU CA C 196 55.837 54.572 1.265 2 1 681 . 1 1 A 111 111 GLU CB C 196 30.673 33.123 -2.450 2 1 683 . 1 1 A 111 111 GLU N N 196 120.028 119.255 0.773 2 1 684 . 1 1 A 112 112 ASN H H 197 8.460 8.678 -0.218 2 1 685 . 1 1 A 112 112 ASN HA H 197 4.668 5.393 -0.725 2 1 690 . 1 1 A 112 112 ASN CA C 197 52.923 51.707 1.216 2 1 691 . 1 1 A 112 112 ASN CB C 197 40.491 41.765 -1.274 2 1 692 . 1 1 A 112 112 ASN N N 197 119.716 117.894 1.822 2 1 694 . 1 1 A 113 113 PHE H H 198 8.655 8.371 0.284 2 1 695 . 1 1 A 113 113 PHE HA H 198 5.262 5.579 -0.317 2 1 698 . 1 1 A 113 113 PHE CA C 198 56.640 55.721 0.919 2 1 699 . 1 1 A 113 113 PHE CB C 198 39.899 41.981 -2.082 2 1 700 . 1 1 A 113 113 PHE N N 198 122.046 117.826 4.220 2 1 701 . 1 1 A 114 114 THR H H 199 9.506 8.930 0.576 2 1 702 . 1 1 A 114 114 THR HA H 199 4.625 4.776 -0.150 2 1 707 . 1 1 A 114 114 THR CA C 199 60.305 60.316 -0.011 2 1 708 . 1 1 A 114 114 THR CB C 199 72.033 71.480 0.553 2 1 710 . 1 1 A 114 114 THR N N 199 116.124 114.233 1.891 2 1 711 . 1 1 A 115 115 GLU H H 200 9.120 9.084 0.036 2 1 712 . 1 1 A 115 115 GLU HA H 200 4.051 4.140 -0.089 2 1 717 . 1 1 A 115 115 GLU CA C 200 59.877 59.331 0.546 2 1 718 . 1 1 A 115 115 GLU CB C 200 28.787 29.159 -0.372 2 1 720 . 1 1 A 115 115 GLU N N 200 119.993 121.006 -1.013 2 1 721 . 1 1 A 116 116 THR H H 201 7.955 7.721 0.234 2 1 722 . 1 1 A 116 116 THR HA H 201 3.794 4.052 -0.258 2 1 727 . 1 1 A 116 116 THR CA C 201 66.734 66.632 0.102 2 1 728 . 1 1 A 116 116 THR CB C 201 68.624 69.058 -0.434 2 1 730 . 1 1 A 116 116 THR N N 201 116.160 117.198 -1.038 2 1 731 . 1 1 A 117 117 ASP H H 202 7.505 8.050 -0.545 2 1 732 . 1 1 A 117 117 ASP HA H 202 4.577 4.495 0.082 2 1 735 . 1 1 A 117 117 ASP CA C 202 58.057 57.427 0.630 2 1 736 . 1 1 A 117 117 ASP CB C 202 41.747 41.292 0.455 2 1 737 . 1 1 A 117 117 ASP N N 202 120.175 121.447 -1.272 2 1 738 . 1 1 A 118 118 VAL H H 203 8.236 8.574 -0.338 2 1 739 . 1 1 A 118 118 VAL HA H 203 3.324 3.808 -0.484 2 1 747 . 1 1 A 118 118 VAL CA C 203 67.799 65.055 2.744 2 1 748 . 1 1 A 118 118 VAL CB C 203 31.269 30.938 0.331 2 1 751 . 1 1 A 118 118 VAL N N 203 119.654 118.780 0.874 2 1 752 . 1 1 A 119 119 LYS H H 204 7.740 7.795 -0.055 2 1 753 . 1 1 A 119 119 LYS HA H 204 4.090 4.029 0.061 2 1 762 . 1 1 A 119 119 LYS CA C 204 59.368 59.479 -0.111 2 1 763 . 1 1 A 119 119 LYS CB C 204 32.165 32.137 0.028 2 1 767 . 1 1 A 119 119 LYS N N 204 119.288 121.904 -2.616 2 1 768 . 1 1 A 120 120 MET H H 205 8.235 8.098 0.137 2 1 769 . 1 1 A 120 120 MET HA H 205 4.158 4.279 -0.121 2 1 777 . 1 1 A 120 120 MET CA C 205 59.819 58.598 1.221 2 1 778 . 1 1 A 120 120 MET CB C 205 33.078 32.649 0.429 2 1 781 . 1 1 A 120 120 MET N N 205 118.767 118.963 -0.196 2 1 782 . 1 1 A 121 121 MET H H 206 8.755 8.066 0.689 2 1 783 . 1 1 A 121 121 MET HA H 206 3.580 4.176 -0.596 2 1 791 . 1 1 A 121 121 MET CA C 206 59.639 58.270 1.369 2 1 792 . 1 1 A 121 121 MET CB C 206 32.777 32.475 0.302 2 1 795 . 1 1 A 121 121 MET N N 206 118.428 118.882 -0.454 2 1 796 . 1 1 A 122 122 GLU H H 207 8.419 7.999 0.420 2 1 797 . 1 1 A 122 122 GLU HA H 207 3.688 3.978 -0.290 2 1 802 . 1 1 A 122 122 GLU CA C 207 60.390 59.400 0.990 2 1 803 . 1 1 A 122 122 GLU CB C 207 28.448 29.257 -0.809 2 1 805 . 1 1 A 122 122 GLU N N 207 118.469 118.620 -0.151 2 1 806 . 1 1 A 123 123 ARG H H 208 7.344 7.668 -0.324 2 1 807 . 1 1 A 123 123 ARG HA H 208 4.163 4.093 0.070 2 1 815 . 1 1 A 123 123 ARG CA C 208 58.537 59.033 -0.496 2 1 816 . 1 1 A 123 123 ARG CB C 208 29.925 30.057 -0.132 2 1 819 . 1 1 A 123 123 ARG N N 208 116.990 120.801 -3.811 2 1 821 . 1 1 A 124 124 VAL H H 209 8.299 7.650 0.649 2 1 822 . 1 1 A 124 124 VAL HA H 209 3.798 3.708 0.090 2 1 830 . 1 1 A 124 124 VAL CA C 209 65.995 65.988 0.007 2 1 831 . 1 1 A 124 124 VAL CB C 209 32.075 31.702 0.373 2 1 834 . 1 1 A 124 124 VAL N N 209 119.301 119.611 -0.310 2 1 835 . 1 1 A 125 125 VAL H H 210 9.016 8.085 0.931 2 1 836 . 1 1 A 125 125 VAL HA H 210 3.643 3.542 0.101 2 1 844 . 1 1 A 125 125 VAL CA C 210 66.591 66.624 -0.033 2 1 845 . 1 1 A 125 125 VAL CB C 210 31.836 31.483 0.353 2 1 848 . 1 1 A 125 125 VAL N N 210 121.312 120.775 0.537 2 1 849 . 1 1 A 126 126 GLU H H 211 8.153 7.932 0.221 2 1 850 . 1 1 A 126 126 GLU HA H 211 3.622 3.976 -0.354 2 1 855 . 1 1 A 126 126 GLU CA C 211 60.997 59.631 1.366 2 1 856 . 1 1 A 126 126 GLU CB C 211 28.921 29.097 -0.176 2 1 858 . 1 1 A 126 126 GLU N N 211 120.456 119.748 0.708 2 1 859 . 1 1 A 127 127 GLN H H 212 7.274 7.762 -0.488 2 1 862 . 1 1 A 127 127 GLN CA C 212 58.803 58.865 -0.062 2 1 863 . 1 1 A 127 127 GLN N N 212 115.025 118.939 -3.914 2 1 865 . 1 1 A 128 128 MET H H 213 8.324 7.984 0.340 2 1 866 . 1 1 A 128 128 MET HA H 213 4.146 4.161 -0.015 2 1 872 . 1 1 A 128 128 MET CA C 213 59.976 58.422 1.554 2 1 873 . 1 1 A 128 128 MET CB C 213 31.911 32.305 -0.394 2 1 875 . 1 1 A 128 128 MET N N 213 119.344 118.489 0.855 2 1 876 . 1 1 A 129 129 CYS H H 214 9.219 8.026 1.193 2 1 877 . 1 1 A 129 129 CYS CA C 214 59.821 63.073 -3.252 2 1 878 . 1 1 A 129 129 CYS N N 214 118.992 118.176 0.816 2 1 879 . 1 1 A 130 130 ILE H H 215 8.340 7.646 0.694 2 1 880 . 1 1 A 130 130 ILE HA H 215 3.563 3.799 -0.236 2 1 890 . 1 1 A 130 130 ILE CA C 215 66.751 64.428 2.323 2 1 891 . 1 1 A 130 130 ILE CB C 215 37.814 36.834 0.980 2 1 895 . 1 1 A 130 130 ILE N N 215 123.750 121.403 2.347 2 1 896 . 1 1 A 131 131 THR H H 216 8.142 7.969 0.173 2 1 897 . 1 1 A 131 131 THR HA H 216 3.940 3.897 0.043 2 1 902 . 1 1 A 131 131 THR CA C 216 66.898 66.853 0.045 2 1 903 . 1 1 A 131 131 THR CB C 216 69.608 68.446 1.162 2 1 905 . 1 1 A 131 131 THR N N 216 118.528 117.688 0.840 2 1 906 . 1 1 A 132 132 GLN H H 217 8.687 7.706 0.981 2 1 907 . 1 1 A 132 132 GLN HA H 217 3.688 3.980 -0.292 2 1 914 . 1 1 A 132 132 GLN CA C 217 58.527 58.496 0.031 2 1 915 . 1 1 A 132 132 GLN CB C 217 28.353 28.341 0.012 2 1 917 . 1 1 A 132 132 GLN N N 217 121.765 119.726 2.039 2 1 919 . 1 1 A 133 133 TYR HA H 218 4.532 4.681 -0.149 2 1 926 . 1 1 A 133 133 TYR CA C 218 55.867 57.639 -1.772 2 1 927 . 1 1 A 133 133 TYR CB C 218 37.912 38.977 -1.065 2 1 930 . 1 1 A 134 134 GLU H H 219 8.293 8.832 -0.539 2 1 931 . 1 1 A 134 134 GLU HA H 219 3.689 4.083 -0.394 2 1 936 . 1 1 A 134 134 GLU CA C 219 59.268 59.528 -0.260 2 1 937 . 1 1 A 134 134 GLU CB C 219 28.324 29.206 -0.882 2 1 939 . 1 1 A 134 134 GLU N N 219 120.400 123.524 -3.124 2 1 940 . 1 1 A 135 135 ARG H H 220 7.887 8.122 -0.235 2 1 941 . 1 1 A 135 135 ARG HA H 220 3.981 4.046 -0.065 2 1 949 . 1 1 A 135 135 ARG CA C 220 59.266 59.468 -0.202 2 1 950 . 1 1 A 135 135 ARG CB C 220 30.337 29.947 0.390 2 1 953 . 1 1 A 135 135 ARG N N 220 118.589 119.992 -1.403 2 1 955 . 1 1 A 137 137 SER HA H 222 3.954 4.205 -0.251 2 1 958 . 1 1 A 137 137 SER CA C 222 60.572 61.456 -0.884 2 1 959 . 1 1 A 137 137 SER CB C 222 62.761 62.943 -0.182 2 1 960 . 1 1 A 138 138 GLN H H 223 7.624 7.757 -0.133 2 1 961 . 1 1 A 138 138 GLN HA H 223 4.153 4.160 -0.008 2 1 968 . 1 1 A 138 138 GLN CA C 223 57.658 58.486 -0.828 2 1 969 . 1 1 A 138 138 GLN CB C 223 28.370 28.444 -0.074 2 1 971 . 1 1 A 138 138 GLN N N 223 120.575 121.123 -0.548 2 1 973 . 1 1 A 139 139 ALA H H 224 7.627 7.857 -0.230 2 1 974 . 1 1 A 139 139 ALA HA H 224 4.156 4.181 -0.025 2 1 978 . 1 1 A 139 139 ALA CA C 224 54.017 54.953 -0.936 2 1 979 . 1 1 A 139 139 ALA CB C 224 18.645 18.356 0.289 2 1 980 . 1 1 A 139 139 ALA N N 224 121.263 122.048 -0.785 2 1 981 . 1 1 A 140 140 TYR H H 225 8.048 8.067 -0.019 2 1 982 . 1 1 A 140 140 TYR HA H 225 4.204 4.299 -0.095 2 1 989 . 1 1 A 140 140 TYR CA C 225 59.890 61.243 -1.353 2 1 990 . 1 1 A 140 140 TYR CB C 225 38.994 38.205 0.789 2 1 993 . 1 1 A 140 140 TYR N N 225 118.980 119.329 -0.349 2 1 994 . 1 1 A 141 141 TYR H H 226 7.948 7.980 -0.032 2 1 995 . 1 1 A 141 141 TYR HA H 226 4.375 4.134 0.241 2 1 1002 . 1 1 A 141 141 TYR CA C 226 59.036 61.283 -2.247 2 1 1003 . 1 1 A 141 141 TYR CB C 226 38.060 38.711 -0.651 2 1 1006 . 1 1 A 141 141 TYR N N 226 118.596 119.920 -1.324 2 1 1007 . 1 1 A 142 142 GLN H H 227 7.941 7.730 0.211 2 1 1008 . 1 1 A 142 142 GLN HA H 227 4.240 4.425 -0.185 2 1 1015 . 1 1 A 142 142 GLN CA C 227 56.346 56.128 0.218 2 1 1016 . 1 1 A 142 142 GLN CB C 227 28.912 29.324 -0.412 2 1 1018 . 1 1 A 142 142 GLN N N 227 119.883 118.338 1.545 2 1 1020 . 1 1 A 143 143 ARG H H 228 7.966 8.680 -0.714 2 1 1021 . 1 1 A 143 143 ARG HA H 228 4.244 4.729 -0.485 2 1 1029 . 1 1 A 143 143 ARG CA C 228 56.719 55.287 1.432 2 1 1030 . 1 1 A 143 143 ARG CB C 228 30.731 32.218 -1.487 2 1 1033 . 1 1 A 143 143 ARG N N 228 120.871 120.939 -0.068 2 1 1035 . 1 1 A 144 144 GLY H H 229 8.247 8.519 -0.272 2 1 1036 . 1 1 A 144 144 GLY HA2 H 229 3.992 4.064 -0.072 2 1 1037 . 1 1 A 144 144 GLY HA3 H 229 3.992 4.080 -0.088 2 1 1038 . 1 1 A 144 144 GLY CA C 229 45.359 45.698 -0.339 2 1 1039 . 1 1 A 144 144 GLY N N 229 109.072 108.881 0.191 2 1 1040 . 1 1 A 145 145 SER H H 230 8.139 8.500 -0.361 2 1 1041 . 1 1 A 145 145 SER HA H 230 4.506 4.638 -0.132 2 1 1044 . 1 1 A 145 145 SER CA C 230 58.123 58.692 -0.569 2 1 1045 . 1 1 A 145 145 SER CB C 230 63.878 64.289 -0.411 2 1 1046 . 1 1 A 145 145 SER N N 230 115.684 117.283 -1.599 2 stop_ save_