data_15542_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15542 _Entry.PDB_ID 2JWY _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 1 . 1 1 1 A 2 2 VAL HA H 2 3.850 4.226 -0.376 1 1 9 . 1 1 1 A 2 2 VAL CA C 2 61.400 63.718 -2.318 1 1 10 . 1 1 1 A 2 2 VAL CB C 2 32.400 31.892 0.508 1 1 13 . 1 1 1 A 3 3 GLN HA H 3 4.445 4.449 -0.004 1 1 18 . 1 1 1 A 3 3 GLN CA C 3 55.467 55.013 0.454 1 1 19 . 1 1 1 A 3 3 GLN CB C 3 29.271 27.092 2.179 1 1 21 . 1 1 1 A 4 4 GLN H H 4 8.703 7.972 0.731 1 1 22 . 1 1 1 A 4 4 GLN HA H 4 4.356 4.743 -0.387 1 1 27 . 1 1 1 A 4 4 GLN CA C 4 55.961 54.846 1.115 1 1 28 . 1 1 1 A 4 4 GLN CB C 4 29.178 30.419 -1.241 1 1 30 . 1 1 1 A 4 4 GLN N N 4 123.281 122.593 0.688 1 1 31 . 1 1 1 A 5 5 SER H H 5 8.426 8.580 -0.154 1 1 32 . 1 1 1 A 5 5 SER HA H 5 4.424 4.548 -0.124 1 1 35 . 1 1 1 A 5 5 SER CA C 5 58.498 57.938 0.560 1 1 36 . 1 1 1 A 5 5 SER CB C 5 63.534 61.366 2.168 1 1 37 . 1 1 1 A 5 5 SER N N 5 116.845 118.892 -2.047 1 1 38 . 1 1 1 A 6 6 GLU H H 6 8.434 8.895 -0.461 1 1 39 . 1 1 1 A 6 6 GLU HA H 6 4.342 4.802 -0.460 1 1 44 . 1 1 1 A 6 6 GLU CA C 6 56.410 55.722 0.688 1 1 45 . 1 1 1 A 6 6 GLU CB C 6 29.873 31.248 -1.375 1 1 47 . 1 1 1 A 6 6 GLU N N 6 122.965 125.368 -2.403 1 1 48 . 1 1 1 A 7 7 VAL H H 7 8.131 8.762 -0.631 1 1 49 . 1 1 1 A 7 7 VAL HA H 7 4.063 4.648 -0.585 1 1 57 . 1 1 1 A 7 7 VAL CA C 7 62.213 60.019 2.194 1 1 58 . 1 1 1 A 7 7 VAL CB C 7 32.391 33.819 -1.428 1 1 61 . 1 1 1 A 7 7 VAL N N 7 121.508 126.988 -5.480 1 1 62 . 1 1 1 A 8 8 ARG H H 8 8.376 8.825 -0.449 1 1 63 . 1 1 1 A 8 8 ARG HA H 8 4.335 4.543 -0.208 1 1 70 . 1 1 1 A 8 8 ARG CA C 8 56.013 55.481 0.532 1 1 71 . 1 1 1 A 8 8 ARG CB C 8 30.528 30.209 0.319 1 1 74 . 1 1 1 A 8 8 ARG N N 8 124.504 126.053 -1.549 1 1 75 . 1 1 1 A 9 9 GLN H H 9 8.360 7.581 0.779 1 1 76 . 1 1 1 A 9 9 GLN HA H 9 4.353 4.187 0.166 1 1 81 . 1 1 1 A 9 9 GLN CA C 9 55.446 56.372 -0.926 1 1 82 . 1 1 1 A 9 9 GLN CB C 9 29.236 29.464 -0.228 1 1 84 . 1 1 1 A 9 9 GLN N N 9 121.537 121.632 -0.095 1 1 85 . 1 1 1 A 10 10 MET H H 10 8.391 8.700 -0.309 1 1 86 . 1 1 1 A 10 10 MET HA H 10 4.459 4.524 -0.065 1 1 91 . 1 1 1 A 10 10 MET CA C 10 55.062 54.997 0.065 1 1 92 . 1 1 1 A 10 10 MET CB C 10 32.482 32.465 0.017 1 1 94 . 1 1 1 A 10 10 MET N N 10 122.199 127.385 -5.186 1 1 95 . 1 1 1 A 11 11 LYS H H 11 8.317 8.156 0.161 1 1 96 . 1 1 1 A 11 11 LYS HA H 11 4.296 4.672 -0.376 1 1 105 . 1 1 1 A 11 11 LYS CA C 11 56.114 55.773 0.341 1 1 106 . 1 1 1 A 11 11 LYS CB C 11 32.372 33.657 -1.285 1 1 110 . 1 1 1 A 11 11 LYS N N 11 122.440 126.790 -4.350 1 1 111 . 1 1 1 A 12 12 HIS H H 12 8.489 8.911 -0.422 1 1 112 . 1 1 1 A 12 12 HIS HA H 12 4.748 4.742 0.006 1 1 116 . 1 1 1 A 12 12 HIS CA C 12 55.052 54.786 0.266 1 1 117 . 1 1 1 A 12 12 HIS CB C 12 29.094 29.031 0.063 1 1 119 . 1 1 1 A 12 12 HIS N N 12 119.934 124.771 -4.837 1 1 120 . 1 1 1 A 13 13 SER H H 13 8.401 8.277 0.124 1 1 121 . 1 1 1 A 13 13 SER HA H 13 4.518 4.655 -0.137 1 1 124 . 1 1 1 A 13 13 SER CA C 13 57.855 57.546 0.309 1 1 125 . 1 1 1 A 13 13 SER CB C 13 63.750 65.851 -2.101 1 1 126 . 1 1 1 A 13 13 SER N N 13 117.596 122.158 -4.562 1 1 127 . 1 1 1 A 14 14 VAL H H 14 8.285 8.522 -0.237 1 1 128 . 1 1 1 A 14 14 VAL HA H 14 4.239 4.049 0.190 1 1 136 . 1 1 1 A 14 14 VAL CA C 14 62.078 63.045 -0.967 1 1 137 . 1 1 1 A 14 14 VAL CB C 14 32.564 31.990 0.574 1 1 140 . 1 1 1 A 14 14 VAL N N 14 121.378 129.166 -7.788 1 1 141 . 1 1 1 A 15 15 SER H H 15 8.419 8.848 -0.429 1 1 142 . 1 1 1 A 15 15 SER HA H 15 4.556 4.980 -0.424 1 1 145 . 1 1 1 A 15 15 SER CA C 15 57.855 56.587 1.268 1 1 146 . 1 1 1 A 15 15 SER CB C 15 63.600 65.201 -1.601 1 1 147 . 1 1 1 A 15 15 SER N N 15 119.022 123.756 -4.734 1 1 148 . 1 1 1 A 16 16 THR H H 16 8.189 8.584 -0.395 1 1 149 . 1 1 1 A 16 16 THR HA H 16 4.362 4.753 -0.391 1 1 154 . 1 1 1 A 16 16 THR CA C 16 61.510 61.018 0.492 1 1 155 . 1 1 1 A 16 16 THR CB C 16 69.292 69.295 -0.003 1 1 157 . 1 1 1 A 16 16 THR N N 16 116.040 119.201 -3.161 1 1 158 . 1 1 1 A 17 17 LEU H H 17 8.168 8.891 -0.723 1 1 159 . 1 1 1 A 17 17 LEU HA H 17 4.331 4.555 -0.224 1 1 169 . 1 1 1 A 17 17 LEU CA C 17 55.446 54.267 1.179 1 1 170 . 1 1 1 A 17 17 LEU CB C 17 42.032 42.330 -0.298 1 1 174 . 1 1 1 A 17 17 LEU N N 17 123.796 127.507 -3.711 1 1 175 . 1 1 1 A 18 18 ASN H H 18 8.406 8.209 0.197 1 1 176 . 1 1 1 A 18 18 ASN HA H 18 4.685 4.795 -0.110 1 1 181 . 1 1 1 A 18 18 ASN CA C 18 53.276 52.985 0.291 1 1 182 . 1 1 1 A 18 18 ASN CB C 18 38.462 39.531 -1.069 1 1 183 . 1 1 1 A 18 18 ASN N N 18 119.197 118.617 0.580 1 1 185 . 1 1 1 A 19 19 GLN H H 19 8.346 8.513 -0.167 1 1 186 . 1 1 1 A 19 19 GLN HA H 19 4.319 4.352 -0.033 1 1 193 . 1 1 1 A 19 19 GLN CA C 19 56.075 55.754 0.321 1 1 194 . 1 1 1 A 19 19 GLN CB C 19 29.077 28.274 0.803 1 1 196 . 1 1 1 A 19 19 GLN N N 19 120.620 122.463 -1.843 1 1 198 . 1 1 1 A 20 20 GLU H H 20 8.474 8.393 0.081 1 1 199 . 1 1 1 A 20 20 GLU HA H 20 4.269 4.377 -0.108 1 1 204 . 1 1 1 A 20 20 GLU CA C 20 56.932 56.805 0.127 1 1 205 . 1 1 1 A 20 20 GLU CB C 20 29.694 30.032 -0.338 1 1 207 . 1 1 1 A 20 20 GLU N N 20 121.410 126.401 -4.991 1 1 208 . 1 1 1 A 21 21 MET H H 21 8.366 8.690 -0.324 1 1 209 . 1 1 1 A 21 21 MET HA H 21 4.538 4.472 0.066 1 1 214 . 1 1 1 A 21 21 MET CA C 21 55.812 55.074 0.738 1 1 215 . 1 1 1 A 21 21 MET CB C 21 32.188 33.612 -1.424 1 1 217 . 1 1 1 A 21 21 MET N N 21 120.618 125.114 -4.496 1 1 218 . 1 1 1 A 22 22 THR H H 22 8.127 8.619 -0.492 1 1 219 . 1 1 1 A 22 22 THR HA H 22 4.299 4.452 -0.153 1 1 224 . 1 1 1 A 22 22 THR CA C 22 62.287 60.919 1.368 1 1 225 . 1 1 1 A 22 22 THR CB C 22 69.174 71.023 -1.849 1 1 227 . 1 1 1 A 22 22 THR N N 22 114.858 112.902 1.956 1 1 228 . 1 1 1 A 23 23 GLN H H 23 8.342 8.525 -0.183 1 1 229 . 1 1 1 A 23 23 GLN HA H 23 4.339 4.501 -0.162 1 1 236 . 1 1 1 A 23 23 GLN CA C 23 56.148 56.166 -0.018 1 1 237 . 1 1 1 A 23 23 GLN CB C 23 29.112 30.221 -1.109 1 1 239 . 1 1 1 A 23 23 GLN N N 23 122.047 120.486 1.561 1 1 241 . 1 1 1 A 24 24 LEU H H 24 8.174 8.618 -0.444 1 1 242 . 1 1 1 A 24 24 LEU HA H 24 4.334 5.004 -0.670 1 1 252 . 1 1 1 A 24 24 LEU CA C 24 55.519 53.358 2.161 1 1 253 . 1 1 1 A 24 24 LEU CB C 24 42.146 46.093 -3.947 1 1 257 . 1 1 1 A 24 24 LEU N N 24 122.328 122.821 -0.493 1 1 258 . 1 1 1 A 25 25 ASN H H 25 8.384 8.727 -0.343 1 1 259 . 1 1 1 A 25 25 ASN HA H 25 4.692 4.459 0.233 1 1 264 . 1 1 1 A 25 25 ASN CA C 25 53.481 54.038 -0.557 1 1 265 . 1 1 1 A 25 25 ASN CB C 25 38.445 39.714 -1.269 1 1 266 . 1 1 1 A 25 25 ASN N N 25 119.262 122.527 -3.265 1 1 268 . 1 1 1 A 26 26 GLN H H 26 8.453 8.600 -0.147 1 1 269 . 1 1 1 A 26 26 GLN HA H 26 4.215 3.923 0.292 1 1 276 . 1 1 1 A 26 26 GLN CA C 26 57.037 59.482 -2.445 1 1 277 . 1 1 1 A 26 26 GLN CB C 26 28.996 28.539 0.457 1 1 279 . 1 1 1 A 26 26 GLN N N 26 120.394 124.982 -4.588 1 1 281 . 1 1 1 A 27 27 GLU H H 27 8.501 8.115 0.386 1 1 282 . 1 1 1 A 27 27 GLU HA H 27 4.202 4.087 0.115 1 1 287 . 1 1 1 A 27 27 GLU CA C 27 58.573 59.097 -0.524 1 1 288 . 1 1 1 A 27 27 GLU CB C 27 29.349 29.383 -0.034 1 1 290 . 1 1 1 A 27 27 GLU N N 27 121.130 118.226 2.904 1 1 291 . 1 1 1 A 28 28 THR H H 28 8.032 8.055 -0.023 1 1 292 . 1 1 1 A 28 28 THR HA H 28 4.079 3.934 0.145 1 1 297 . 1 1 1 A 28 28 THR CA C 28 64.762 66.443 -1.681 1 1 298 . 1 1 1 A 28 28 THR CB C 28 68.354 68.175 0.179 1 1 300 . 1 1 1 A 28 28 THR N N 28 114.032 116.922 -2.890 1 1 301 . 1 1 1 A 29 29 VAL H H 29 7.969 8.168 -0.199 1 1 302 . 1 1 1 A 29 29 VAL HA H 29 3.812 3.559 0.253 1 1 310 . 1 1 1 A 29 29 VAL CA C 29 65.572 67.244 -1.672 1 1 311 . 1 1 1 A 29 29 VAL CB C 29 31.624 31.442 0.182 1 1 314 . 1 1 1 A 29 29 VAL N N 29 122.215 121.780 0.435 1 1 315 . 1 1 1 A 30 30 LYS H H 30 7.910 7.712 0.198 1 1 316 . 1 1 1 A 30 30 LYS HA H 30 4.175 3.860 0.315 1 1 325 . 1 1 1 A 30 30 LYS CA C 30 57.780 60.084 -2.304 1 1 326 . 1 1 1 A 30 30 LYS CB C 30 31.537 32.303 -0.766 1 1 330 . 1 1 1 A 30 30 LYS N N 30 119.387 118.604 0.783 1 1 331 . 1 1 1 A 31 31 ILE H H 31 8.277 8.013 0.264 1 1 332 . 1 1 1 A 31 31 ILE HA H 31 3.602 3.598 0.004 1 1 342 . 1 1 1 A 31 31 ILE CA C 31 65.712 65.434 0.278 1 1 343 . 1 1 1 A 31 31 ILE CB C 31 38.559 37.528 1.031 1 1 347 . 1 1 1 A 31 31 ILE N N 31 121.053 120.733 0.320 1 1 348 . 1 1 1 A 32 32 THR H H 32 7.896 8.297 -0.401 1 1 349 . 1 1 1 A 32 32 THR HA H 32 4.004 3.911 0.093 1 1 354 . 1 1 1 A 32 32 THR CA C 32 65.922 66.828 -0.906 1 1 355 . 1 1 1 A 32 32 THR CB C 32 68.400 68.305 0.095 1 1 357 . 1 1 1 A 32 32 THR N N 32 115.554 116.767 -1.213 1 1 358 . 1 1 1 A 33 33 GLN H H 33 8.279 8.249 0.030 1 1 359 . 1 1 1 A 33 33 GLN HA H 33 3.887 3.825 0.062 1 1 366 . 1 1 1 A 33 33 GLN CA C 33 59.052 59.011 0.041 1 1 367 . 1 1 1 A 33 33 GLN CB C 33 27.889 28.501 -0.612 1 1 369 . 1 1 1 A 33 33 GLN N N 33 120.920 120.531 0.389 1 1 371 . 1 1 1 A 34 34 GLN H H 34 8.671 8.267 0.404 1 1 372 . 1 1 1 A 34 34 GLN HA H 34 3.615 3.939 -0.324 1 1 379 . 1 1 1 A 34 34 GLN CA C 34 60.424 58.949 1.475 1 1 380 . 1 1 1 A 34 34 GLN CB C 34 30.058 28.579 1.479 1 1 382 . 1 1 1 A 34 34 GLN N N 34 120.388 118.974 1.414 1 1 384 . 1 1 1 A 35 35 ASN H H 35 8.636 8.253 0.383 1 1 385 . 1 1 1 A 35 35 ASN HA H 35 4.595 4.408 0.187 1 1 390 . 1 1 1 A 35 35 ASN CA C 35 55.363 56.378 -1.015 1 1 391 . 1 1 1 A 35 35 ASN CB C 35 36.904 37.662 -0.758 1 1 392 . 1 1 1 A 35 35 ASN N N 35 116.477 117.710 -1.233 1 1 394 . 1 1 1 A 36 36 ARG H H 36 8.321 7.490 0.831 1 1 395 . 1 1 1 A 36 36 ARG HA H 36 4.142 4.078 0.064 1 1 402 . 1 1 1 A 36 36 ARG CA C 36 58.582 58.992 -0.410 1 1 403 . 1 1 1 A 36 36 ARG CB C 36 29.712 29.723 -0.011 1 1 406 . 1 1 1 A 36 36 ARG N N 36 121.347 119.410 1.937 1 1 407 . 1 1 1 A 37 37 LEU H H 37 8.251 8.197 0.054 1 1 408 . 1 1 1 A 37 37 LEU HA H 37 3.788 3.818 -0.030 1 1 418 . 1 1 1 A 37 37 LEU CA C 37 57.094 57.590 -0.496 1 1 419 . 1 1 1 A 37 37 LEU CB C 37 40.554 40.265 0.289 1 1 423 . 1 1 1 A 37 37 LEU N N 37 120.862 119.275 1.587 1 1 424 . 1 1 1 A 38 38 ASN H H 38 8.047 8.766 -0.719 1 1 425 . 1 1 1 A 38 38 ASN HA H 38 5.134 4.517 0.617 1 1 430 . 1 1 1 A 38 38 ASN CA C 38 54.413 57.117 -2.704 1 1 431 . 1 1 1 A 38 38 ASN CB C 38 38.069 39.562 -1.493 1 1 432 . 1 1 1 A 38 38 ASN N N 38 115.574 118.600 -3.026 1 1 434 . 1 1 1 A 39 39 ALA H H 39 7.878 7.787 0.091 1 1 435 . 1 1 1 A 39 39 ALA HA H 39 4.342 4.102 0.240 1 1 439 . 1 1 1 A 39 39 ALA CA C 39 53.981 54.894 -0.913 1 1 440 . 1 1 1 A 39 39 ALA CB C 39 18.340 18.271 0.069 1 1 441 . 1 1 1 A 39 39 ALA N N 39 123.076 121.461 1.615 1 1 442 . 1 1 1 A 40 40 LYS H H 40 7.431 7.668 -0.237 1 1 443 . 1 1 1 A 40 40 LYS HA H 40 4.528 4.350 0.178 1 1 452 . 1 1 1 A 40 40 LYS CA C 40 55.285 57.843 -2.558 1 1 453 . 1 1 1 A 40 40 LYS CB C 40 32.852 32.593 0.259 1 1 457 . 1 1 1 A 40 40 LYS N N 40 114.889 115.679 -0.790 1 1 458 . 1 1 1 A 41 41 SER H H 41 7.671 7.508 0.163 1 1 459 . 1 1 1 A 41 41 SER HA H 41 4.615 4.667 -0.052 1 1 462 . 1 1 1 A 41 41 SER CA C 41 58.189 57.588 0.601 1 1 463 . 1 1 1 A 41 41 SER CB C 41 63.924 64.456 -0.532 1 1 464 . 1 1 1 A 41 41 SER N N 41 114.795 116.835 -2.040 1 1 465 . 1 1 1 A 42 42 SER H H 42 8.927 8.868 0.059 1 1 466 . 1 1 1 A 42 42 SER HA H 42 4.792 4.581 0.211 1 1 469 . 1 1 1 A 42 42 SER CA C 42 58.133 58.847 -0.714 1 1 470 . 1 1 1 A 42 42 SER CB C 42 63.712 64.182 -0.470 1 1 471 . 1 1 1 A 42 42 SER N N 42 120.934 120.893 0.041 1 1 472 . 1 1 1 A 43 43 SER H H 43 8.320 7.950 0.370 1 1 473 . 1 1 1 A 43 43 SER HA H 43 4.654 4.488 0.166 1 1 476 . 1 1 1 A 43 43 SER CA C 43 57.309 56.892 0.417 1 1 477 . 1 1 1 A 43 43 SER CB C 43 63.151 64.044 -0.893 1 1 478 . 1 1 1 A 43 43 SER N N 43 115.966 117.056 -1.090 1 1 479 . 1 1 1 A 44 44 GLY H H 44 8.182 8.918 -0.736 1 1 480 . 1 1 1 A 44 44 GLY HA2 H 44 4.206 3.963 0.243 1 1 481 . 1 1 1 A 44 44 GLY HA3 H 44 4.399 4.000 0.399 1 1 482 . 1 1 1 A 44 44 GLY CA C 44 44.540 44.900 -0.360 1 1 483 . 1 1 1 A 44 44 GLY N N 44 110.764 117.108 -6.344 1 1 484 . 1 1 1 A 45 45 VAL H H 45 8.341 8.191 0.150 1 1 485 . 1 1 1 A 45 45 VAL HA H 45 4.845 4.939 -0.094 1 1 493 . 1 1 1 A 45 45 VAL CA C 45 58.981 59.303 -0.322 1 1 494 . 1 1 1 A 45 45 VAL CB C 45 35.239 34.804 0.435 1 1 497 . 1 1 1 A 45 45 VAL N N 45 114.116 117.115 -2.999 1 1 498 . 1 1 1 A 46 46 TYR H H 46 10.501 9.107 1.394 1 1 499 . 1 1 1 A 46 46 TYR HA H 46 5.004 4.988 0.016 1 1 506 . 1 1 1 A 46 46 TYR CA C 46 58.121 57.857 0.264 1 1 507 . 1 1 1 A 46 46 TYR CB C 46 41.382 38.817 2.565 1 1 510 . 1 1 1 A 46 46 TYR N N 46 123.384 124.085 -0.701 1 1 511 . 1 1 1 A 47 47 LEU H H 47 9.364 9.494 -0.130 1 1 512 . 1 1 1 A 47 47 LEU HA H 47 4.695 4.857 -0.162 1 1 522 . 1 1 1 A 47 47 LEU CA C 47 52.769 53.918 -1.149 1 1 523 . 1 1 1 A 47 47 LEU CB C 47 44.689 41.674 3.015 1 1 527 . 1 1 1 A 47 47 LEU N N 47 118.822 125.922 -7.100 1 1 528 . 1 1 1 A 48 48 LEU H H 48 9.128 8.724 0.404 1 1 529 . 1 1 1 A 48 48 LEU HA H 48 5.232 4.501 0.731 1 1 539 . 1 1 1 A 48 48 LEU CA C 48 51.100 53.077 -1.977 1 1 540 . 1 1 1 A 48 48 LEU CB C 48 40.141 41.894 -1.753 1 1 544 . 1 1 1 A 48 48 LEU N N 48 123.384 126.773 -3.389 1 1 545 . 1 1 1 A 49 49 PRO HA H 49 4.090 4.303 -0.213 1 1 552 . 1 1 1 A 49 49 PRO CA C 49 64.912 64.659 0.253 1 1 553 . 1 1 1 A 49 49 PRO CB C 49 31.607 31.781 -0.174 1 1 556 . 1 1 1 A 50 50 GLY H H 50 9.181 8.486 0.695 1 1 557 . 1 1 1 A 50 50 GLY HA2 H 50 3.933 3.909 0.024 1 1 558 . 1 1 1 A 50 50 GLY HA3 H 50 4.757 3.911 0.846 1 1 559 . 1 1 1 A 50 50 GLY CA C 50 45.499 46.217 -0.718 1 1 560 . 1 1 1 A 50 50 GLY N N 50 106.827 106.678 0.149 1 1 561 . 1 1 1 A 51 51 ALA H H 51 7.857 7.743 0.114 1 1 562 . 1 1 1 A 51 51 ALA HA H 51 4.264 4.348 -0.084 1 1 566 . 1 1 1 A 51 51 ALA CA C 51 53.156 53.941 -0.785 1 1 567 . 1 1 1 A 51 51 ALA CB C 51 18.492 20.119 -1.627 1 1 568 . 1 1 1 A 51 51 ALA N N 51 120.192 122.631 -2.439 1 1 569 . 1 1 1 A 52 52 LYS H H 52 7.787 8.133 -0.346 1 1 570 . 1 1 1 A 52 52 LYS HA H 52 4.094 3.942 0.152 1 1 579 . 1 1 1 A 52 52 LYS CA C 52 56.979 57.983 -1.004 1 1 580 . 1 1 1 A 52 52 LYS CB C 52 30.731 29.984 0.747 1 1 584 . 1 1 1 A 52 52 LYS N N 52 115.260 113.611 1.649 1 1 585 . 1 1 1 A 53 53 THR H H 53 8.043 7.786 0.257 1 1 586 . 1 1 1 A 53 53 THR HA H 53 4.924 4.523 0.401 1 1 591 . 1 1 1 A 53 53 THR CA C 53 59.565 60.541 -0.976 1 1 592 . 1 1 1 A 53 53 THR CB C 53 72.729 69.232 3.497 1 1 594 . 1 1 1 A 53 53 THR N N 53 114.085 113.373 0.712 1 1 595 . 1 1 1 A 54 54 PRO HA H 54 4.860 5.194 -0.334 1 1 602 . 1 1 1 A 54 54 PRO CA C 54 62.176 62.501 -0.325 1 1 603 . 1 1 1 A 54 54 PRO CB C 54 32.820 32.373 0.447 1 1 606 . 1 1 1 A 55 55 ALA H H 55 8.834 8.771 0.063 1 1 607 . 1 1 1 A 55 55 ALA HA H 55 4.824 5.021 -0.197 1 1 611 . 1 1 1 A 55 55 ALA CA C 55 50.500 50.488 0.012 1 1 612 . 1 1 1 A 55 55 ALA CB C 55 22.858 22.327 0.531 1 1 613 . 1 1 1 A 55 55 ALA N N 55 122.227 124.453 -2.226 1 1 614 . 1 1 1 A 56 56 ARG H H 56 8.445 8.659 -0.214 1 1 615 . 1 1 1 A 56 56 ARG HA H 56 5.262 4.936 0.326 1 1 623 . 1 1 1 A 56 56 ARG CA C 56 54.401 55.476 -1.075 1 1 624 . 1 1 1 A 56 56 ARG CB C 56 32.849 31.496 1.353 1 1 627 . 1 1 1 A 56 56 ARG N N 56 121.194 122.763 -1.569 1 1 629 . 1 1 1 A 57 57 LEU H H 57 9.159 9.178 -0.019 1 1 630 . 1 1 1 A 57 57 LEU HA H 57 4.672 4.963 -0.291 1 1 640 . 1 1 1 A 57 57 LEU CA C 57 53.028 54.034 -1.006 1 1 641 . 1 1 1 A 57 57 LEU CB C 57 46.231 46.096 0.135 1 1 645 . 1 1 1 A 57 57 LEU N N 57 125.694 127.623 -1.929 1 1 646 . 1 1 1 A 58 58 GLU H H 58 8.890 8.867 0.023 1 1 647 . 1 1 1 A 58 58 GLU HA H 58 4.535 4.605 -0.070 1 1 652 . 1 1 1 A 58 58 GLU CA C 58 55.733 55.357 0.376 1 1 653 . 1 1 1 A 58 58 GLU CB C 58 27.970 30.297 -2.327 1 1 655 . 1 1 1 A 58 58 GLU N N 58 127.677 128.710 -1.033 1 1 656 . 1 1 1 A 59 59 SER H H 59 7.772 8.629 -0.857 1 1 657 . 1 1 1 A 59 59 SER HA H 59 4.970 4.870 0.100 1 1 661 . 1 1 1 A 59 59 SER CA C 59 57.576 56.436 1.140 1 1 662 . 1 1 1 A 59 59 SER CB C 59 69.174 66.235 2.939 1 1 663 . 1 1 1 A 59 59 SER N N 59 121.860 120.812 1.048 1 1 664 . 1 1 1 A 60 60 GLN H H 60 9.336 8.684 0.652 1 1 665 . 1 1 1 A 60 60 GLN HA H 60 4.262 4.053 0.209 1 1 672 . 1 1 1 A 60 60 GLN CA C 60 57.792 58.874 -1.082 1 1 673 . 1 1 1 A 60 60 GLN CB C 60 29.669 28.181 1.488 1 1 675 . 1 1 1 A 60 60 GLN N N 60 119.522 118.831 0.691 1 1 677 . 1 1 1 A 61 61 ILE H H 61 8.007 7.664 0.343 1 1 678 . 1 1 1 A 61 61 ILE HA H 61 4.623 4.188 0.435 1 1 688 . 1 1 1 A 61 61 ILE CA C 61 59.813 61.854 -2.041 1 1 689 . 1 1 1 A 61 61 ILE CB C 61 37.013 38.461 -1.448 1 1 693 . 1 1 1 A 61 61 ILE N N 61 109.398 111.500 -2.102 1 1 694 . 1 1 1 A 62 62 GLY H H 62 7.223 6.949 0.274 1 1 695 . 1 1 1 A 62 62 GLY HA2 H 62 4.493 4.024 0.469 1 1 696 . 1 1 1 A 62 62 GLY HA3 H 62 3.872 4.038 -0.166 1 1 697 . 1 1 1 A 62 62 GLY CA C 62 43.022 45.311 -2.289 1 1 698 . 1 1 1 A 62 62 GLY N N 62 109.035 109.278 -0.243 1 1 699 . 1 1 1 A 63 63 THR H H 63 8.910 8.498 0.412 1 1 700 . 1 1 1 A 63 63 THR HA H 63 4.599 4.475 0.124 1 1 705 . 1 1 1 A 63 63 THR CA C 63 64.037 63.176 0.861 1 1 706 . 1 1 1 A 63 63 THR CB C 63 68.111 68.620 -0.509 1 1 708 . 1 1 1 A 63 63 THR N N 63 119.711 116.638 3.073 1 1 709 . 1 1 1 A 64 64 LEU H H 64 9.070 8.857 0.213 1 1 710 . 1 1 1 A 64 64 LEU HA H 64 5.120 5.372 -0.252 1 1 720 . 1 1 1 A 64 64 LEU CA C 64 52.680 52.553 0.127 1 1 721 . 1 1 1 A 64 64 LEU CB C 64 44.749 45.676 -0.927 1 1 725 . 1 1 1 A 64 64 LEU N N 64 127.640 123.685 3.955 1 1 726 . 1 1 1 A 65 65 ARG H H 65 9.271 8.818 0.453 1 1 727 . 1 1 1 A 65 65 ARG HA H 65 4.989 5.376 -0.387 1 1 735 . 1 1 1 A 65 65 ARG CA C 65 54.814 54.933 -0.119 1 1 736 . 1 1 1 A 65 65 ARG CB C 65 31.836 33.906 -2.070 1 1 739 . 1 1 1 A 65 65 ARG N N 65 122.680 119.482 3.198 1 1 741 . 1 1 1 A 66 66 MET H H 66 9.310 8.919 0.391 1 1 742 . 1 1 1 A 66 66 MET HA H 66 5.822 5.899 -0.077 1 1 747 . 1 1 1 A 66 66 MET CA C 66 53.936 54.110 -0.174 1 1 748 . 1 1 1 A 66 66 MET CB C 66 35.912 35.335 0.577 1 1 750 . 1 1 1 A 66 66 MET N N 66 125.309 126.552 -1.243 1 1 751 . 1 1 1 A 67 67 SER H H 67 8.943 8.417 0.526 1 1 752 . 1 1 1 A 67 67 SER HA H 67 4.660 5.078 -0.418 1 1 755 . 1 1 1 A 67 67 SER CA C 67 57.460 57.190 0.270 1 1 756 . 1 1 1 A 67 67 SER CB C 67 65.747 66.149 -0.402 1 1 757 . 1 1 1 A 67 67 SER N N 67 112.115 113.702 -1.587 1 1 758 . 1 1 1 A 68 68 LEU H H 68 8.410 8.622 -0.212 1 1 759 . 1 1 1 A 68 68 LEU HA H 68 5.115 5.054 0.061 1 1 769 . 1 1 1 A 68 68 LEU CA C 68 52.837 53.593 -0.756 1 1 770 . 1 1 1 A 68 68 LEU CB C 68 42.269 43.171 -0.902 1 1 774 . 1 1 1 A 68 68 LEU N N 68 118.367 122.549 -4.182 1 1 775 . 1 1 1 A 69 69 VAL H H 69 9.060 8.263 0.797 1 1 776 . 1 1 1 A 69 69 VAL HA H 69 4.440 4.587 -0.147 1 1 784 . 1 1 1 A 69 69 VAL CA C 69 59.852 59.516 0.336 1 1 785 . 1 1 1 A 69 69 VAL CB C 69 35.349 35.445 -0.096 1 1 788 . 1 1 1 A 69 69 VAL N N 69 119.888 118.651 1.237 1 1 789 . 1 1 1 A 70 70 ASN H H 70 8.651 8.760 -0.109 1 1 790 . 1 1 1 A 70 70 ASN HA H 70 4.345 4.223 0.122 1 1 795 . 1 1 1 A 70 70 ASN CA C 70 53.555 54.045 -0.490 1 1 796 . 1 1 1 A 70 70 ASN CB C 70 36.932 36.909 0.023 1 1 797 . 1 1 1 A 70 70 ASN N N 70 119.166 117.912 1.254 1 1 799 . 1 1 1 A 71 71 ILE H H 71 8.449 8.060 0.389 1 1 800 . 1 1 1 A 71 71 ILE HA H 71 4.235 4.104 0.131 1 1 810 . 1 1 1 A 71 71 ILE CA C 71 63.104 62.003 1.101 1 1 811 . 1 1 1 A 71 71 ILE CB C 71 37.200 37.224 -0.024 1 1 815 . 1 1 1 A 71 71 ILE N N 71 121.388 119.408 1.980 1 1 816 . 1 1 1 A 72 72 THR H H 72 9.511 8.835 0.676 1 1 817 . 1 1 1 A 72 72 THR HA H 72 4.967 5.125 -0.158 1 1 822 . 1 1 1 A 72 72 THR CA C 72 59.584 58.435 1.149 1 1 823 . 1 1 1 A 72 72 THR CB C 72 71.930 70.458 1.472 1 1 825 . 1 1 1 A 72 72 THR N N 72 125.726 118.196 7.530 1 1 826 . 1 1 1 A 73 73 PRO HA H 73 4.822 4.582 0.240 1 1 833 . 1 1 1 A 73 73 PRO CA C 73 63.362 62.903 0.459 1 1 834 . 1 1 1 A 73 73 PRO CB C 73 32.451 32.391 0.060 1 1 837 . 1 1 1 A 74 74 ASP H H 74 8.404 8.864 -0.460 1 1 838 . 1 1 1 A 74 74 ASP HA H 74 4.824 5.008 -0.184 1 1 841 . 1 1 1 A 74 74 ASP CA C 74 52.609 52.494 0.115 1 1 842 . 1 1 1 A 74 74 ASP CB C 74 43.743 43.777 -0.034 1 1 843 . 1 1 1 A 74 74 ASP N N 74 122.325 122.039 0.286 1 1 844 . 1 1 1 A 75 75 ALA H H 75 8.539 8.827 -0.288 1 1 845 . 1 1 1 A 75 75 ALA HA H 75 4.062 4.042 0.020 1 1 849 . 1 1 1 A 75 75 ALA CA C 75 54.431 55.241 -0.810 1 1 850 . 1 1 1 A 75 75 ALA CB C 75 18.117 18.334 -0.217 1 1 851 . 1 1 1 A 75 75 ALA N N 75 123.501 126.351 -2.850 1 1 852 . 1 1 1 A 76 76 ASP H H 76 8.356 8.163 0.193 1 1 853 . 1 1 1 A 76 76 ASP HA H 76 4.815 4.895 -0.080 1 1 856 . 1 1 1 A 76 76 ASP CA C 76 53.161 55.334 -2.173 1 1 857 . 1 1 1 A 76 76 ASP CB C 76 41.234 42.675 -1.441 1 1 858 . 1 1 1 A 76 76 ASP N N 76 115.326 117.758 -2.432 1 1 859 . 1 1 1 A 77 77 GLY H H 77 7.569 7.722 -0.153 1 1 860 . 1 1 1 A 77 77 GLY HA2 H 77 3.925 4.093 -0.168 1 1 861 . 1 1 1 A 77 77 GLY HA3 H 77 4.508 4.097 0.411 1 1 862 . 1 1 1 A 77 77 GLY CA C 77 46.675 45.132 1.543 1 1 863 . 1 1 1 A 77 77 GLY N N 77 109.452 106.389 3.063 1 1 864 . 1 1 1 A 78 78 THR H H 78 8.272 8.480 -0.208 1 1 865 . 1 1 1 A 78 78 THR HA H 78 4.655 4.900 -0.245 1 1 870 . 1 1 1 A 78 78 THR CA C 78 63.204 61.153 2.051 1 1 871 . 1 1 1 A 78 78 THR CB C 78 72.222 71.799 0.423 1 1 873 . 1 1 1 A 78 78 THR N N 78 122.442 115.112 7.330 1 1 874 . 1 1 1 A 79 79 THR H H 79 9.027 8.971 0.056 1 1 875 . 1 1 1 A 79 79 THR HA H 79 5.164 5.249 -0.085 1 1 880 . 1 1 1 A 79 79 THR CA C 79 60.303 60.546 -0.243 1 1 881 . 1 1 1 A 79 79 THR CB C 79 70.442 70.134 0.308 1 1 883 . 1 1 1 A 79 79 THR N N 79 121.451 118.982 2.469 1 1 884 . 1 1 1 A 80 80 LEU H H 80 8.698 8.804 -0.106 1 1 885 . 1 1 1 A 80 80 LEU HA H 80 4.835 5.164 -0.329 1 1 895 . 1 1 1 A 80 80 LEU CA C 80 54.194 53.230 0.964 1 1 896 . 1 1 1 A 80 80 LEU CB C 80 44.576 46.096 -1.520 1 1 900 . 1 1 1 A 80 80 LEU N N 80 119.374 124.037 -4.663 1 1 901 . 1 1 1 A 81 81 THR H H 81 8.675 8.891 -0.216 1 1 902 . 1 1 1 A 81 81 THR HA H 81 4.740 4.514 0.226 1 1 907 . 1 1 1 A 81 81 THR CA C 81 61.838 62.435 -0.597 1 1 908 . 1 1 1 A 81 81 THR CB C 81 70.190 69.395 0.795 1 1 910 . 1 1 1 A 81 81 THR N N 81 116.982 117.017 -0.035 1 1 911 . 1 1 1 A 82 82 LEU H H 82 8.898 9.021 -0.123 1 1 912 . 1 1 1 A 82 82 LEU HA H 82 4.748 4.868 -0.120 1 1 922 . 1 1 1 A 82 82 LEU CA C 82 53.076 54.014 -0.938 1 1 923 . 1 1 1 A 82 82 LEU CB C 82 43.189 43.567 -0.378 1 1 927 . 1 1 1 A 82 82 LEU N N 82 130.905 129.789 1.116 1 1 928 . 1 1 1 A 83 83 ARG H H 83 9.162 8.748 0.414 1 1 929 . 1 1 1 A 83 83 ARG HA H 83 5.174 4.968 0.206 1 1 936 . 1 1 1 A 83 83 ARG CA C 83 54.441 55.106 -0.665 1 1 937 . 1 1 1 A 83 83 ARG CB C 83 31.332 31.546 -0.214 1 1 940 . 1 1 1 A 83 83 ARG N N 83 131.064 126.504 4.560 1 1 941 . 1 1 1 A 84 84 ILE H H 84 9.474 9.300 0.174 1 1 942 . 1 1 1 A 84 84 ILE HA H 84 4.611 4.717 -0.106 1 1 952 . 1 1 1 A 84 84 ILE CA C 84 60.486 60.471 0.015 1 1 953 . 1 1 1 A 84 84 ILE CB C 84 40.120 38.150 1.970 1 1 957 . 1 1 1 A 84 84 ILE N N 84 128.394 125.554 2.840 1 1 958 . 1 1 1 A 85 85 GLN H H 85 9.137 9.386 -0.249 1 1 959 . 1 1 1 A 85 85 GLN HA H 85 5.457 4.987 0.470 1 1 966 . 1 1 1 A 85 85 GLN CA C 85 53.109 54.234 -1.125 1 1 967 . 1 1 1 A 85 85 GLN CB C 85 32.450 31.663 0.787 1 1 969 . 1 1 1 A 85 85 GLN N N 85 124.857 128.446 -3.589 1 1 971 . 1 1 1 A 86 86 GLY H H 86 9.090 8.971 0.119 1 1 972 . 1 1 1 A 86 86 GLY HA2 H 86 3.813 4.005 -0.192 1 1 973 . 1 1 1 A 86 86 GLY HA3 H 86 4.499 4.016 0.483 1 1 974 . 1 1 1 A 86 86 GLY CA C 86 44.877 45.541 -0.664 1 1 975 . 1 1 1 A 86 86 GLY N N 86 110.702 113.668 -2.966 1 1 976 . 1 1 1 A 87 87 GLU H H 87 8.128 8.578 -0.450 1 1 977 . 1 1 1 A 87 87 GLU HA H 87 4.472 4.218 0.254 1 1 982 . 1 1 1 A 87 87 GLU CA C 87 56.057 58.249 -2.192 1 1 983 . 1 1 1 A 87 87 GLU CB C 87 29.943 30.205 -0.262 1 1 985 . 1 1 1 A 87 87 GLU N N 87 120.445 125.019 -4.574 1 1 986 . 1 1 1 A 88 88 SER H H 88 8.063 7.724 0.339 1 1 987 . 1 1 1 A 88 88 SER HA H 88 4.469 4.547 -0.078 1 1 990 . 1 1 1 A 88 88 SER CA C 88 57.472 56.789 0.683 1 1 991 . 1 1 1 A 88 88 SER CB C 88 63.799 65.666 -1.867 1 1 992 . 1 1 1 A 88 88 SER N N 88 113.821 111.557 2.264 1 1 993 . 1 1 1 A 89 89 ASN H H 89 8.502 8.723 -0.221 1 1 994 . 1 1 1 A 89 89 ASN HA H 89 4.533 5.041 -0.508 1 1 999 . 1 1 1 A 89 89 ASN CA C 89 53.715 53.326 0.389 1 1 1000 . 1 1 1 A 89 89 ASN CB C 89 38.212 39.295 -1.083 1 1 1001 . 1 1 1 A 89 89 ASN N N 89 119.482 116.346 3.136 1 1 1003 . 1 1 1 A 90 90 ASP H H 90 8.104 7.674 0.430 1 1 1004 . 1 1 1 A 90 90 ASP HA H 90 5.061 4.880 0.181 1 1 1007 . 1 1 1 A 90 90 ASP CA C 90 51.392 51.729 -0.337 1 1 1008 . 1 1 1 A 90 90 ASP CB C 90 41.223 41.179 0.044 1 1 1009 . 1 1 1 A 90 90 ASP N N 90 119.891 119.919 -0.028 1 1 1010 . 1 1 1 A 91 91 PRO HA H 91 4.156 4.693 -0.537 1 1 1017 . 1 1 1 A 91 91 PRO CA C 91 62.200 62.428 -0.228 1 1 1018 . 1 1 1 A 91 91 PRO CB C 91 30.844 32.678 -1.834 1 1 1021 . 1 1 1 A 92 92 LEU H H 92 8.206 8.485 -0.279 1 1 1022 . 1 1 1 A 92 92 LEU HA H 92 4.504 4.785 -0.281 1 1 1032 . 1 1 1 A 92 92 LEU CA C 92 52.697 51.816 0.881 1 1 1033 . 1 1 1 A 92 92 LEU CB C 92 41.249 42.344 -1.095 1 1 1037 . 1 1 1 A 92 92 LEU N N 92 123.954 123.635 0.319 1 1 1038 . 1 1 1 A 93 93 PRO HA H 93 4.808 4.605 0.203 1 1 1045 . 1 1 1 A 93 93 PRO CA C 93 61.122 62.400 -1.278 1 1 1046 . 1 1 1 A 93 93 PRO CB C 93 32.289 32.484 -0.195 1 1 1049 . 1 1 1 A 94 94 ALA H H 94 8.420 8.365 0.055 1 1 1050 . 1 1 1 A 94 94 ALA HA H 94 4.164 4.255 -0.091 1 1 1054 . 1 1 1 A 94 94 ALA CA C 94 52.655 53.404 -0.749 1 1 1055 . 1 1 1 A 94 94 ALA CB C 94 18.563 19.087 -0.524 1 1 1056 . 1 1 1 A 94 94 ALA N N 94 120.368 123.982 -3.614 1 1 1057 . 1 1 1 A 95 95 PHE H H 95 7.961 7.969 -0.008 1 1 1058 . 1 1 1 A 95 95 PHE HA H 95 5.489 5.411 0.078 1 1 1066 . 1 1 1 A 95 95 PHE CA C 95 56.213 55.619 0.594 1 1 1067 . 1 1 1 A 95 95 PHE CB C 95 41.552 42.145 -0.593 1 1 1071 . 1 1 1 A 95 95 PHE N N 95 115.209 117.333 -2.124 1 1 1072 . 1 1 1 A 96 96 SER H H 96 9.231 9.362 -0.131 1 1 1073 . 1 1 1 A 96 96 SER HA H 96 5.427 5.448 -0.021 1 1 1076 . 1 1 1 A 96 96 SER CA C 96 55.549 56.082 -0.533 1 1 1077 . 1 1 1 A 96 96 SER CB C 96 66.681 66.144 0.537 1 1 1078 . 1 1 1 A 96 96 SER N N 96 114.106 114.149 -0.043 1 1 1079 . 1 1 1 A 97 97 GLY H H 97 8.269 8.486 -0.217 1 1 1080 . 1 1 1 A 97 97 GLY HA2 H 97 4.612 4.381 0.231 1 1 1081 . 1 1 1 A 97 97 GLY HA3 H 97 3.571 4.417 -0.846 1 1 1082 . 1 1 1 A 97 97 GLY CA C 97 45.139 44.726 0.413 1 1 1083 . 1 1 1 A 97 97 GLY N N 97 104.730 108.537 -3.807 1 1 1084 . 1 1 1 A 98 98 THR H H 98 8.068 8.666 -0.598 1 1 1085 . 1 1 1 A 98 98 THR HA H 98 4.836 4.856 -0.020 1 1 1090 . 1 1 1 A 98 98 THR CA C 98 62.462 62.007 0.455 1 1 1091 . 1 1 1 A 98 98 THR CB C 98 70.240 69.311 0.929 1 1 1093 . 1 1 1 A 98 98 THR N N 98 115.596 117.709 -2.113 1 1 1094 . 1 1 1 A 99 99 VAL H H 99 9.016 9.074 -0.058 1 1 1095 . 1 1 1 A 99 99 VAL HA H 99 5.040 4.906 0.134 1 1 1103 . 1 1 1 A 99 99 VAL CA C 99 59.695 60.140 -0.445 1 1 1104 . 1 1 1 A 99 99 VAL CB C 99 33.810 33.802 0.008 1 1 1107 . 1 1 1 A 99 99 VAL N N 99 124.571 127.896 -3.325 1 1 1108 . 1 1 1 A 100 100 GLU H H 100 9.595 8.948 0.647 1 1 1109 . 1 1 1 A 100 100 GLU HA H 100 5.463 5.060 0.403 1 1 1114 . 1 1 1 A 100 100 GLU CA C 100 53.132 56.253 -3.121 1 1 1115 . 1 1 1 A 100 100 GLU CB C 100 31.806 31.138 0.668 1 1 1117 . 1 1 1 A 100 100 GLU N N 100 125.607 128.190 -2.583 1 1 1118 . 1 1 1 A 101 101 TYR H H 101 8.576 8.539 0.037 1 1 1119 . 1 1 1 A 101 101 TYR HA H 101 4.568 5.276 -0.708 1 1 1126 . 1 1 1 A 101 101 TYR CA C 101 54.809 55.596 -0.787 1 1 1127 . 1 1 1 A 101 101 TYR CB C 101 39.516 40.930 -1.414 1 1 1130 . 1 1 1 A 101 101 TYR N N 101 117.224 118.655 -1.431 1 1 1131 . 1 1 1 A 102 102 GLY H H 102 6.489 7.369 -0.880 1 1 1132 . 1 1 1 A 102 102 GLY HA2 H 102 3.948 4.098 -0.150 1 1 1133 . 1 1 1 A 102 102 GLY HA3 H 102 4.190 4.163 0.027 1 1 1134 . 1 1 1 A 102 102 GLY CA C 102 46.509 45.792 0.717 1 1 1135 . 1 1 1 A 102 102 GLY N N 102 103.890 105.437 -1.547 1 1 1136 . 1 1 1 A 103 103 GLN H H 103 8.789 8.895 -0.106 1 1 1137 . 1 1 1 A 103 103 GLN HA H 103 4.893 5.232 -0.339 1 1 1144 . 1 1 1 A 103 103 GLN CA C 103 54.742 54.271 0.471 1 1 1145 . 1 1 1 A 103 103 GLN CB C 103 31.972 32.561 -0.589 1 1 1147 . 1 1 1 A 103 103 GLN N N 103 121.055 120.411 0.644 1 1 1149 . 1 1 1 A 104 104 ILE H H 104 8.877 9.143 -0.266 1 1 1150 . 1 1 1 A 104 104 ILE HA H 104 5.033 4.678 0.355 1 1 1160 . 1 1 1 A 104 104 ILE CA C 104 59.495 60.758 -1.263 1 1 1161 . 1 1 1 A 104 104 ILE CB C 104 40.485 39.294 1.191 1 1 1165 . 1 1 1 A 104 104 ILE N N 104 119.483 123.107 -3.624 1 1 1166 . 1 1 1 A 105 105 GLN H H 105 8.807 8.372 0.435 1 1 1167 . 1 1 1 A 105 105 GLN HA H 105 4.785 4.322 0.463 1 1 1174 . 1 1 1 A 105 105 GLN CA C 105 53.586 57.318 -3.732 1 1 1175 . 1 1 1 A 105 105 GLN CB C 105 32.029 29.330 2.699 1 1 1177 . 1 1 1 A 105 105 GLN N N 105 126.014 125.213 0.801 1 1 1179 . 1 1 1 A 106 106 GLY H H 106 8.680 7.831 0.849 1 1 1180 . 1 1 1 A 106 106 GLY HA2 H 106 4.878 4.070 0.808 1 1 1181 . 1 1 1 A 106 106 GLY HA3 H 106 3.898 4.111 -0.213 1 1 1182 . 1 1 1 A 106 106 GLY CA C 106 43.994 44.349 -0.355 1 1 1183 . 1 1 1 A 106 106 GLY N N 106 111.899 109.770 2.129 1 1 1184 . 1 1 1 A 107 107 THR H H 107 7.984 8.507 -0.523 1 1 1185 . 1 1 1 A 107 107 THR HA H 107 4.571 4.821 -0.250 1 1 1190 . 1 1 1 A 107 107 THR CA C 107 59.611 59.883 -0.272 1 1 1191 . 1 1 1 A 107 107 THR CB C 107 71.146 71.596 -0.450 1 1 1193 . 1 1 1 A 107 107 THR N N 107 111.498 112.307 -0.809 1 1 1194 . 1 1 1 A 108 108 ILE H H 108 8.345 8.953 -0.608 1 1 1195 . 1 1 1 A 108 108 ILE HA H 108 3.775 3.688 0.087 1 1 1205 . 1 1 1 A 108 108 ILE CA C 108 62.916 64.059 -1.143 1 1 1206 . 1 1 1 A 108 108 ILE CB C 108 37.737 36.909 0.828 1 1 1210 . 1 1 1 A 108 108 ILE N N 108 117.576 122.089 -4.513 1 1 1211 . 1 1 1 A 109 109 ASP H H 109 7.753 7.999 -0.246 1 1 1212 . 1 1 1 A 109 109 ASP HA H 109 4.564 4.552 0.012 1 1 1215 . 1 1 1 A 109 109 ASP CA C 109 54.540 56.514 -1.974 1 1 1216 . 1 1 1 A 109 109 ASP CB C 109 41.360 41.417 -0.057 1 1 1217 . 1 1 1 A 109 109 ASP N N 109 116.045 120.598 -4.553 1 1 1218 . 1 1 1 A 110 110 ASN H H 110 7.719 7.566 0.153 1 1 1219 . 1 1 1 A 110 110 ASN HA H 110 4.723 5.121 -0.398 1 1 1224 . 1 1 1 A 110 110 ASN CA C 110 53.036 52.622 0.414 1 1 1225 . 1 1 1 A 110 110 ASN CB C 110 38.443 40.779 -2.336 1 1 1226 . 1 1 1 A 110 110 ASN N N 110 119.075 113.171 5.904 1 1 1228 . 1 1 1 A 111 111 PHE H H 111 7.977 8.484 -0.507 1 1 1229 . 1 1 1 A 111 111 PHE HA H 111 5.249 5.768 -0.519 1 1 1237 . 1 1 1 A 111 111 PHE CA C 111 56.627 54.990 1.637 1 1 1238 . 1 1 1 A 111 111 PHE CB C 111 40.215 42.669 -2.454 1 1 1242 . 1 1 1 A 111 111 PHE N N 111 122.138 119.373 2.765 1 1 1243 . 1 1 1 A 112 112 GLN H H 112 8.715 8.597 0.118 1 1 1244 . 1 1 1 A 112 112 GLN HA H 112 4.540 4.678 -0.138 1 1 1251 . 1 1 1 A 112 112 GLN CA C 112 54.035 54.435 -0.400 1 1 1252 . 1 1 1 A 112 112 GLN CB C 112 31.861 30.974 0.887 1 1 1254 . 1 1 1 A 112 112 GLN N N 112 119.575 119.823 -0.248 1 1 1256 . 1 1 1 A 113 113 GLU H H 113 8.546 8.835 -0.289 1 1 1257 . 1 1 1 A 113 113 GLU HA H 113 4.780 4.760 0.020 1 1 1262 . 1 1 1 A 113 113 GLU CA C 113 55.412 56.575 -1.163 1 1 1263 . 1 1 1 A 113 113 GLU CB C 113 29.886 30.093 -0.207 1 1 1265 . 1 1 1 A 113 113 GLU N N 113 122.846 124.316 -1.470 1 1 1266 . 1 1 1 A 114 114 ILE H H 114 8.913 8.357 0.556 1 1 1267 . 1 1 1 A 114 114 ILE HA H 114 4.662 4.645 0.017 1 1 1277 . 1 1 1 A 114 114 ILE CA C 114 59.144 59.592 -0.448 1 1 1278 . 1 1 1 A 114 114 ILE CB C 114 41.873 40.444 1.429 1 1 1282 . 1 1 1 A 114 114 ILE N N 114 120.222 120.795 -0.573 1 1 1283 . 1 1 1 A 115 115 ASN H H 115 8.916 8.771 0.145 1 1 1284 . 1 1 1 A 115 115 ASN HA H 115 4.340 4.239 0.101 1 1 1289 . 1 1 1 A 115 115 ASN CA C 115 53.444 54.176 -0.732 1 1 1290 . 1 1 1 A 115 115 ASN CB C 115 36.467 37.103 -0.636 1 1 1291 . 1 1 1 A 115 115 ASN N N 115 120.916 118.841 2.075 1 1 1293 . 1 1 1 A 116 116 VAL H H 116 8.044 7.882 0.162 1 1 1294 . 1 1 1 A 116 116 VAL HA H 116 4.389 4.642 -0.253 1 1 1302 . 1 1 1 A 116 116 VAL CA C 116 63.183 60.492 2.691 1 1 1303 . 1 1 1 A 116 116 VAL CB C 116 32.216 33.323 -1.107 1 1 1306 . 1 1 1 A 116 116 VAL N N 116 117.046 118.467 -1.421 1 1 1307 . 1 1 1 A 117 117 GLN H H 117 8.582 8.558 0.024 1 1 1308 . 1 1 1 A 117 117 GLN HA H 117 4.550 4.877 -0.327 1 1 1315 . 1 1 1 A 117 117 GLN CA C 117 53.827 53.523 0.304 1 1 1316 . 1 1 1 A 117 117 GLN CB C 117 33.119 32.491 0.628 1 1 1318 . 1 1 1 A 117 117 GLN N N 117 127.086 125.840 1.246 1 1 1320 . 1 1 1 A 118 118 ASN H H 118 8.330 8.969 -0.639 1 1 1321 . 1 1 1 A 118 118 ASN HA H 118 5.845 6.414 -0.569 1 1 1326 . 1 1 1 A 118 118 ASN CA C 118 51.736 51.176 0.560 1 1 1327 . 1 1 1 A 118 118 ASN CB C 118 42.644 43.259 -0.615 1 1 1328 . 1 1 1 A 118 118 ASN N N 118 113.251 117.170 -3.919 1 1 1330 . 1 1 1 A 119 119 GLN H H 119 9.187 8.551 0.636 1 1 1331 . 1 1 1 A 119 119 GLN HA H 119 4.693 4.795 -0.102 1 1 1338 . 1 1 1 A 119 119 GLN CA C 119 55.160 54.917 0.243 1 1 1339 . 1 1 1 A 119 119 GLN CB C 119 34.157 33.353 0.804 1 1 1341 . 1 1 1 A 119 119 GLN N N 119 116.799 118.736 -1.937 1 1 1343 . 1 1 1 A 120 120 LEU H H 120 8.544 8.975 -0.431 1 1 1344 . 1 1 1 A 120 120 LEU HA H 120 5.059 5.043 0.016 1 1 1354 . 1 1 1 A 120 120 LEU CA C 120 54.327 53.669 0.658 1 1 1355 . 1 1 1 A 120 120 LEU CB C 120 42.839 42.480 0.359 1 1 1359 . 1 1 1 A 120 120 LEU N N 120 123.292 124.752 -1.460 1 1 1360 . 1 1 1 A 121 121 ILE H H 121 8.657 8.845 -0.188 1 1 1361 . 1 1 1 A 121 121 ILE HA H 121 4.778 4.660 0.118 1 1 1371 . 1 1 1 A 121 121 ILE CA C 121 58.770 60.080 -1.310 1 1 1372 . 1 1 1 A 121 121 ILE CB C 121 41.582 38.826 2.756 1 1 1376 . 1 1 1 A 121 121 ILE N N 121 116.046 122.757 -6.711 1 1 1377 . 1 1 1 A 122 122 ASN H H 122 8.329 9.025 -0.696 1 1 1378 . 1 1 1 A 122 122 ASN HA H 122 5.068 5.282 -0.214 1 1 1383 . 1 1 1 A 122 122 ASN CA C 122 52.654 52.166 0.488 1 1 1384 . 1 1 1 A 122 122 ASN CB C 122 42.112 39.496 2.616 1 1 1385 . 1 1 1 A 122 122 ASN N N 122 118.416 126.140 -7.724 1 1 1387 . 1 1 1 A 123 123 ALA H H 123 8.547 8.295 0.252 1 1 1388 . 1 1 1 A 123 123 ALA HA H 123 4.597 4.651 -0.054 1 1 1392 . 1 1 1 A 123 123 ALA CA C 123 48.537 49.829 -1.292 1 1 1393 . 1 1 1 A 123 123 ALA CB C 123 19.998 18.939 1.059 1 1 1394 . 1 1 1 A 123 123 ALA N N 123 124.108 127.739 -3.631 1 1 1395 . 1 1 1 A 124 124 PRO HA H 124 4.537 4.531 0.006 1 1 1402 . 1 1 1 A 124 124 PRO CA C 124 60.979 62.309 -1.330 1 1 1403 . 1 1 1 A 124 124 PRO CB C 124 32.285 32.788 -0.503 1 1 1406 . 1 1 1 A 125 125 ALA H H 125 8.587 8.299 0.288 1 1 1407 . 1 1 1 A 125 125 ALA HA H 125 3.899 4.539 -0.640 1 1 1411 . 1 1 1 A 125 125 ALA CA C 125 52.692 51.591 1.101 1 1 1412 . 1 1 1 A 125 125 ALA CB C 125 18.631 19.235 -0.604 1 1 1413 . 1 1 1 A 125 125 ALA N N 125 121.333 123.786 -2.453 1 1 1414 . 1 1 1 A 126 126 SER H H 126 8.227 9.236 -1.009 1 1 1415 . 1 1 1 A 126 126 SER HA H 126 4.616 4.507 0.109 1 1 1418 . 1 1 1 A 126 126 SER CA C 126 59.168 58.456 0.712 1 1 1419 . 1 1 1 A 126 126 SER CB C 126 64.636 62.411 2.225 1 1 1420 . 1 1 1 A 126 126 SER N N 126 118.947 122.144 -3.197 1 1 1421 . 1 1 1 A 127 127 VAL H H 127 8.595 8.174 0.421 1 1 1422 . 1 1 1 A 127 127 VAL HA H 127 4.276 4.287 -0.011 1 1 1430 . 1 1 1 A 127 127 VAL CA C 127 62.194 62.324 -0.130 1 1 1431 . 1 1 1 A 127 127 VAL CB C 127 32.852 31.587 1.265 1 1 1434 . 1 1 1 A 127 127 VAL N N 127 117.209 127.543 -10.334 1 1 1435 . 1 1 1 A 128 128 LEU H H 128 7.844 7.478 0.366 1 1 1436 . 1 1 1 A 128 128 LEU HA H 128 4.588 4.924 -0.336 1 1 1446 . 1 1 1 A 128 128 LEU CA C 128 53.639 53.069 0.570 1 1 1447 . 1 1 1 A 128 128 LEU CB C 128 44.574 44.132 0.442 1 1 1451 . 1 1 1 A 128 128 LEU N N 128 121.103 118.834 2.269 1 1 1452 . 1 1 1 A 129 129 ALA H H 129 8.377 8.751 -0.374 1 1 1453 . 1 1 1 A 129 129 ALA HA H 129 4.538 4.811 -0.273 1 1 1457 . 1 1 1 A 129 129 ALA CA C 129 53.476 49.248 4.228 1 1 1458 . 1 1 1 A 129 129 ALA CB C 129 20.982 22.231 -1.249 1 1 1459 . 1 1 1 A 129 129 ALA N N 129 123.679 122.201 1.478 1 1 1460 . 1 1 1 A 130 130 PRO HA H 130 4.669 4.602 0.067 1 1 1467 . 1 1 1 A 130 130 PRO CA C 130 62.314 62.548 -0.234 1 1 1468 . 1 1 1 A 130 130 PRO CB C 130 33.473 32.363 1.110 1 1 1471 . 1 1 1 A 131 131 SER H H 131 9.365 8.487 0.878 1 1 1472 . 1 1 1 A 131 131 SER HA H 131 4.520 4.838 -0.318 1 1 1475 . 1 1 1 A 131 131 SER CA C 131 59.385 57.397 1.988 1 1 1476 . 1 1 1 A 131 131 SER CB C 131 63.866 64.077 -0.211 1 1 1477 . 1 1 1 A 131 131 SER N N 131 122.226 116.609 5.617 1 1 1478 . 1 1 1 A 132 132 ASP H H 132 8.608 9.120 -0.512 1 1 1479 . 1 1 1 A 132 132 ASP HA H 132 5.260 5.577 -0.317 1 1 1482 . 1 1 1 A 132 132 ASP CA C 132 53.345 52.469 0.876 1 1 1483 . 1 1 1 A 132 132 ASP CB C 132 41.791 44.696 -2.905 1 1 1484 . 1 1 1 A 132 132 ASP N N 132 124.814 124.991 -0.177 1 1 1485 . 1 1 1 A 133 133 VAL H H 133 9.405 8.951 0.454 1 1 1486 . 1 1 1 A 133 133 VAL HA H 133 4.226 4.856 -0.630 1 1 1494 . 1 1 1 A 133 133 VAL CA C 133 61.669 60.136 1.533 1 1 1495 . 1 1 1 A 133 133 VAL CB C 133 34.448 35.500 -1.052 1 1 1498 . 1 1 1 A 133 133 VAL N N 133 127.192 122.223 4.969 1 1 1499 . 1 1 1 A 134 134 ASP H H 134 8.468 9.124 -0.656 1 1 1500 . 1 1 1 A 134 134 ASP HA H 134 5.368 5.557 -0.189 1 1 1503 . 1 1 1 A 134 134 ASP CA C 134 52.326 52.380 -0.054 1 1 1504 . 1 1 1 A 134 134 ASP CB C 134 41.245 43.767 -2.522 1 1 1505 . 1 1 1 A 134 134 ASP N N 134 127.161 124.344 2.817 1 1 1506 . 1 1 1 A 135 135 ILE H H 135 9.406 8.882 0.524 1 1 1507 . 1 1 1 A 135 135 ILE HA H 135 4.636 4.881 -0.245 1 1 1517 . 1 1 1 A 135 135 ILE CA C 135 57.478 56.972 0.506 1 1 1518 . 1 1 1 A 135 135 ILE CB C 135 39.411 40.808 -1.397 1 1 1522 . 1 1 1 A 135 135 ILE N N 135 125.603 118.945 6.658 1 1 1523 . 1 1 1 A 136 136 PRO HA H 136 4.844 4.668 0.176 1 1 1530 . 1 1 1 A 136 136 PRO CA C 136 62.314 62.711 -0.397 1 1 1531 . 1 1 1 A 136 136 PRO CB C 136 31.563 31.636 -0.073 1 1 1534 . 1 1 1 A 137 137 LEU H H 137 9.196 8.726 0.470 1 1 1535 . 1 1 1 A 137 137 LEU HA H 137 4.739 4.771 -0.032 1 1 1545 . 1 1 1 A 137 137 LEU CA C 137 53.609 53.557 0.052 1 1 1546 . 1 1 1 A 137 137 LEU CB C 137 45.473 43.388 2.085 1 1 1550 . 1 1 1 A 137 137 LEU N N 137 124.087 123.320 0.767 1 1 1551 . 1 1 1 A 138 138 GLN H H 138 8.928 8.828 0.100 1 1 1552 . 1 1 1 A 138 138 GLN HA H 138 4.581 4.439 0.142 1 1 1559 . 1 1 1 A 138 138 GLN CA C 138 54.780 54.586 0.194 1 1 1560 . 1 1 1 A 138 138 GLN CB C 138 29.048 27.999 1.049 1 1 1562 . 1 1 1 A 138 138 GLN N N 138 122.528 126.674 -4.146 1 1 1564 . 1 1 1 A 139 139 LEU H H 139 9.039 8.216 0.823 1 1 1565 . 1 1 1 A 139 139 LEU HA H 139 4.205 3.870 0.335 1 1 1575 . 1 1 1 A 139 139 LEU CA C 139 52.367 55.441 -3.074 1 1 1576 . 1 1 1 A 139 139 LEU CB C 139 38.673 41.864 -3.191 1 1 1580 . 1 1 1 A 139 139 LEU N N 139 127.667 126.669 0.998 1 1 1581 . 1 1 1 A 140 140 LYS H H 140 8.078 8.532 -0.454 1 1 1582 . 1 1 1 A 140 140 LYS HA H 140 4.352 4.813 -0.461 1 1 1591 . 1 1 1 A 140 140 LYS CA C 140 56.826 54.725 2.101 1 1 1592 . 1 1 1 A 140 140 LYS CB C 140 32.657 35.676 -3.019 1 1 1596 . 1 1 1 A 140 140 LYS N N 140 124.108 121.651 2.457 1 1 1597 . 1 1 1 A 141 141 GLY H H 141 9.166 8.879 0.287 1 1 1598 . 1 1 1 A 141 141 GLY HA2 H 141 3.788 3.985 -0.197 1 1 1599 . 1 1 1 A 141 141 GLY HA3 H 141 4.119 3.998 0.121 1 1 1600 . 1 1 1 A 141 141 GLY CA C 141 45.682 45.560 0.122 1 1 1601 . 1 1 1 A 141 141 GLY N N 141 110.698 111.310 -0.612 1 1 1602 . 1 1 1 A 142 142 ILE H H 142 7.112 7.950 -0.838 1 1 1603 . 1 1 1 A 142 142 ILE HA H 142 4.600 4.457 0.143 1 1 1613 . 1 1 1 A 142 142 ILE CA C 142 58.547 60.829 -2.282 1 1 1614 . 1 1 1 A 142 142 ILE CB C 142 40.437 38.704 1.733 1 1 1618 . 1 1 1 A 142 142 ILE N N 142 117.928 123.212 -5.284 1 1 1619 . 1 1 1 A 143 143 SER H H 143 8.381 8.987 -0.606 1 1 1620 . 1 1 1 A 143 143 SER HA H 143 4.613 4.589 0.024 1 1 1623 . 1 1 1 A 143 143 SER CA C 143 56.654 58.514 -1.860 1 1 1624 . 1 1 1 A 143 143 SER CB C 143 65.051 64.373 0.678 1 1 1625 . 1 1 1 A 143 143 SER N N 143 123.373 124.540 -1.167 1 1 1626 . 1 1 1 A 144 144 VAL H H 144 8.702 8.536 0.166 1 1 1627 . 1 1 1 A 144 144 VAL HA H 144 3.593 3.881 -0.288 1 1 1635 . 1 1 1 A 144 144 VAL CA C 144 65.655 65.022 0.633 1 1 1636 . 1 1 1 A 144 144 VAL CB C 144 31.434 31.774 -0.340 1 1 1639 . 1 1 1 A 144 144 VAL N N 144 120.791 126.332 -5.541 1 1 1640 . 1 1 1 A 145 145 ASP H H 145 8.151 8.169 -0.018 1 1 1641 . 1 1 1 A 145 145 ASP HA H 145 4.435 4.424 0.011 1 1 1644 . 1 1 1 A 145 145 ASP CA C 145 55.211 56.728 -1.517 1 1 1645 . 1 1 1 A 145 145 ASP CB C 145 40.268 40.759 -0.491 1 1 1646 . 1 1 1 A 145 145 ASP N N 145 115.698 120.889 -5.191 1 1 1647 . 1 1 1 A 146 146 GLN H H 146 7.553 7.632 -0.079 1 1 1648 . 1 1 1 A 146 146 GLN HA H 146 4.302 4.441 -0.139 1 1 1655 . 1 1 1 A 146 146 GLN CA C 146 55.072 55.095 -0.023 1 1 1656 . 1 1 1 A 146 146 GLN CB C 146 29.990 29.675 0.315 1 1 1658 . 1 1 1 A 146 146 GLN N N 146 117.118 115.877 1.241 1 1 1660 . 1 1 1 A 147 147 LEU H H 147 7.368 7.207 0.161 1 1 1661 . 1 1 1 A 147 147 LEU HA H 147 4.119 4.220 -0.101 1 1 1671 . 1 1 1 A 147 147 LEU CA C 147 54.904 55.021 -0.117 1 1 1672 . 1 1 1 A 147 147 LEU CB C 147 40.355 41.815 -1.460 1 1 1676 . 1 1 1 A 147 147 LEU N N 147 121.541 122.565 -1.024 1 1 1677 . 1 1 1 A 148 148 GLY H H 148 8.791 8.509 0.282 1 1 1678 . 1 1 1 A 148 148 GLY HA2 H 148 4.512 4.026 0.486 1 1 1679 . 1 1 1 A 148 148 GLY HA3 H 148 3.997 4.091 -0.094 1 1 1680 . 1 1 1 A 148 148 GLY CA C 148 45.610 46.708 -1.098 1 1 1681 . 1 1 1 A 148 148 GLY N N 148 116.322 113.644 2.678 1 1 1682 . 1 1 1 A 149 149 PHE H H 149 7.790 7.845 -0.055 1 1 1683 . 1 1 1 A 149 149 PHE HA H 149 5.215 5.326 -0.111 1 1 1691 . 1 1 1 A 149 149 PHE CA C 149 56.942 56.175 0.767 1 1 1692 . 1 1 1 A 149 149 PHE CB C 149 42.019 42.759 -0.740 1 1 1696 . 1 1 1 A 149 149 PHE N N 149 113.675 113.438 0.237 1 1 1697 . 1 1 1 A 150 150 VAL H H 150 8.549 9.046 -0.497 1 1 1698 . 1 1 1 A 150 150 VAL HA H 150 4.776 4.785 -0.009 1 1 1706 . 1 1 1 A 150 150 VAL CA C 150 61.068 61.520 -0.452 1 1 1707 . 1 1 1 A 150 150 VAL CB C 150 34.594 33.681 0.913 1 1 1710 . 1 1 1 A 150 150 VAL N N 150 118.208 120.926 -2.718 1 1 1711 . 1 1 1 A 151 151 ARG H H 151 9.953 9.518 0.435 1 1 1712 . 1 1 1 A 151 151 ARG HA H 151 5.783 5.241 0.542 1 1 1719 . 1 1 1 A 151 151 ARG CA C 151 53.530 55.199 -1.669 1 1 1720 . 1 1 1 A 151 151 ARG CB C 151 33.540 31.952 1.588 1 1 1723 . 1 1 1 A 151 151 ARG N N 151 128.446 129.079 -0.633 1 1 1724 . 1 1 1 A 152 152 ILE H H 152 8.905 8.526 0.379 1 1 1725 . 1 1 1 A 152 152 ILE HA H 152 5.188 4.583 0.605 1 1 1735 . 1 1 1 A 152 152 ILE CA C 152 60.464 60.874 -0.410 1 1 1736 . 1 1 1 A 152 152 ILE CB C 152 39.542 37.877 1.665 1 1 1740 . 1 1 1 A 152 152 ILE N N 152 127.149 128.299 -1.150 1 1 1741 . 1 1 1 A 153 153 HIS H H 153 8.941 8.309 0.632 1 1 1742 . 1 1 1 A 153 153 HIS HA H 153 5.074 4.895 0.179 1 1 1747 . 1 1 1 A 153 153 HIS CA C 153 53.417 54.456 -1.039 1 1 1748 . 1 1 1 A 153 153 HIS CB C 153 31.734 32.174 -0.440 1 1 1751 . 1 1 1 A 153 153 HIS N N 153 119.132 123.510 -4.378 1 1 1752 . 1 1 1 A 154 154 ASP H H 154 9.109 9.067 0.042 1 1 1753 . 1 1 1 A 154 154 ASP HA H 154 4.276 4.145 0.131 1 1 1756 . 1 1 1 A 154 154 ASP CA C 154 55.630 54.798 0.832 1 1 1757 . 1 1 1 A 154 154 ASP CB C 154 39.450 39.251 0.199 1 1 1758 . 1 1 1 A 154 154 ASP N N 154 116.420 119.168 -2.748 1 1 1759 . 1 1 1 A 155 155 ILE H H 155 8.062 7.741 0.321 1 1 1760 . 1 1 1 A 155 155 ILE HA H 155 5.051 4.549 0.502 1 1 1770 . 1 1 1 A 155 155 ILE CA C 155 59.666 60.511 -0.845 1 1 1771 . 1 1 1 A 155 155 ILE CB C 155 35.757 38.602 -2.845 1 1 1775 . 1 1 1 A 155 155 ILE N N 155 119.131 119.296 -0.165 1 1 1776 . 1 1 1 A 156 156 GLN H H 156 9.011 9.212 -0.201 1 1 1777 . 1 1 1 A 156 156 GLN HA H 156 4.993 5.020 -0.027 1 1 1784 . 1 1 1 A 156 156 GLN CA C 156 51.975 52.901 -0.926 1 1 1785 . 1 1 1 A 156 156 GLN CB C 156 31.210 31.904 -0.694 1 1 1787 . 1 1 1 A 156 156 GLN N N 156 127.177 124.781 2.396 1 1 1789 . 1 1 1 A 157 157 PRO HA H 157 4.964 4.834 0.130 1 1 1796 . 1 1 1 A 157 157 PRO CA C 157 61.770 62.436 -0.666 1 1 1797 . 1 1 1 A 157 157 PRO CB C 157 31.637 32.672 -1.035 1 1 1800 . 1 1 1 A 158 158 VAL H H 158 7.921 8.214 -0.293 1 1 1801 . 1 1 1 A 158 158 VAL HA H 158 4.107 4.456 -0.349 1 1 1809 . 1 1 1 A 158 158 VAL CA C 158 62.234 59.693 2.541 1 1 1810 . 1 1 1 A 158 158 VAL CB C 158 32.610 34.227 -1.617 1 1 1813 . 1 1 1 A 158 158 VAL N N 158 121.642 117.021 4.621 1 1 1814 . 1 1 1 A 159 159 MET H H 159 8.544 8.813 -0.269 1 1 1815 . 1 1 1 A 159 159 MET HA H 159 4.548 4.141 0.407 1 1 1820 . 1 1 1 A 159 159 MET CA C 159 54.731 56.262 -1.531 1 1 1821 . 1 1 1 A 159 159 MET CB C 159 32.547 30.449 2.098 1 1 1823 . 1 1 1 A 159 159 MET N N 159 124.452 123.981 0.471 1 1 1824 . 1 1 1 A 160 160 GLN H H 160 8.434 7.765 0.669 1 1 1825 . 1 1 1 A 160 160 GLN HA H 160 4.354 4.821 -0.467 1 1 1832 . 1 1 1 A 160 160 GLN CA C 160 55.399 54.771 0.628 1 1 1833 . 1 1 1 A 160 160 GLN CB C 160 29.112 30.866 -1.754 1 1 1835 . 1 1 1 A 160 160 GLN N N 160 121.917 117.195 4.722 1 1 1837 . 1 1 1 A 161 161 LEU H H 161 8.325 8.283 0.042 1 1 1838 . 1 1 1 A 161 161 LEU HA H 161 4.314 4.562 -0.248 1 1 1848 . 1 1 1 A 161 161 LEU CA C 161 55.040 53.770 1.270 1 1 1849 . 1 1 1 A 161 161 LEU CB C 161 42.225 43.063 -0.838 1 1 1853 . 1 1 1 A 161 161 LEU N N 161 123.826 120.340 3.486 1 1 1854 . 1 1 1 A 162 162 GLU H H 162 8.358 8.359 -0.001 1 1 1855 . 1 1 1 A 162 162 GLU HA H 162 4.216 4.469 -0.253 1 1 1860 . 1 1 1 A 162 162 GLU CA C 162 56.343 54.705 1.638 1 1 1861 . 1 1 1 A 162 162 GLU CB C 162 30.083 30.565 -0.482 1 1 1863 . 1 1 1 A 162 162 GLU N N 162 121.293 119.278 2.015 1 1 1864 . 1 1 1 A 163 163 HIS H H 163 8.376 8.779 -0.403 1 1 1865 . 1 1 1 A 163 163 HIS HA H 163 4.641 5.091 -0.450 1 1 1868 . 1 1 1 A 163 163 HIS CA C 163 55.437 54.033 1.404 1 1 1869 . 1 1 1 A 163 163 HIS CB C 163 29.412 31.678 -2.266 1 1 1870 . 1 1 1 A 163 163 HIS N N 163 121.307 117.185 4.122 1 1 1871 . 1 1 1 A 164 164 HIS H H 164 8.289 8.728 -0.439 1 1 1872 . 1 1 1 A 164 164 HIS N N 164 125.228 123.169 2.059 1 1 1873 . 1 1 1 A 166 166 HIS HA H 166 4.300 4.699 -0.399 1 1 1876 . 1 1 1 A 166 166 HIS CA C 166 55.708 54.486 1.222 1 1 1877 . 1 1 1 A 166 166 HIS CB C 166 29.207 29.039 0.168 1 1 1878 . 1 1 1 A 167 167 HIS H H 167 8.591 8.569 0.022 1 1 1879 . 1 1 1 A 167 167 HIS HA H 167 4.541 4.337 0.204 1 1 1882 . 1 1 1 A 167 167 HIS CA C 167 54.678 57.525 -2.847 1 1 1883 . 1 1 1 A 167 167 HIS CB C 167 26.256 30.728 -4.472 1 1 1884 . 1 1 1 A 167 167 HIS N N 167 121.317 126.172 -4.855 1 1 1 . 2 1 1 A 2 2 VAL HA H 2 3.850 4.959 -1.109 1 1 9 . 2 1 1 A 2 2 VAL CA C 2 61.400 59.662 1.738 1 1 10 . 2 1 1 A 2 2 VAL CB C 2 32.400 35.725 -3.325 1 1 13 . 2 1 1 A 3 3 GLN HA H 3 4.445 4.773 -0.328 1 1 18 . 2 1 1 A 3 3 GLN CA C 3 55.467 54.262 1.205 1 1 19 . 2 1 1 A 3 3 GLN CB C 3 29.271 31.627 -2.356 1 1 21 . 2 1 1 A 4 4 GLN H H 4 8.703 8.478 0.225 1 1 22 . 2 1 1 A 4 4 GLN HA H 4 4.356 4.712 -0.356 1 1 27 . 2 1 1 A 4 4 GLN CA C 4 55.961 54.967 0.994 1 1 28 . 2 1 1 A 4 4 GLN CB C 4 29.178 30.138 -0.960 1 1 30 . 2 1 1 A 4 4 GLN N N 4 123.281 121.604 1.677 1 1 31 . 2 1 1 A 5 5 SER H H 5 8.426 8.512 -0.086 1 1 32 . 2 1 1 A 5 5 SER HA H 5 4.424 5.002 -0.578 1 1 35 . 2 1 1 A 5 5 SER CA C 5 58.498 56.417 2.081 1 1 36 . 2 1 1 A 5 5 SER CB C 5 63.534 64.958 -1.424 1 1 37 . 2 1 1 A 5 5 SER N N 5 116.845 118.007 -1.162 1 1 38 . 2 1 1 A 6 6 GLU H H 6 8.434 8.566 -0.132 1 1 39 . 2 1 1 A 6 6 GLU HA H 6 4.342 4.651 -0.309 1 1 44 . 2 1 1 A 6 6 GLU CA C 6 56.410 55.426 0.984 1 1 45 . 2 1 1 A 6 6 GLU CB C 6 29.873 31.817 -1.944 1 1 47 . 2 1 1 A 6 6 GLU N N 6 122.965 121.751 1.214 1 1 48 . 2 1 1 A 7 7 VAL H H 7 8.131 8.301 -0.170 1 1 49 . 2 1 1 A 7 7 VAL HA H 7 4.063 4.512 -0.449 1 1 57 . 2 1 1 A 7 7 VAL CA C 7 62.213 60.180 2.033 1 1 58 . 2 1 1 A 7 7 VAL CB C 7 32.391 33.729 -1.338 1 1 61 . 2 1 1 A 7 7 VAL N N 7 121.508 119.899 1.609 1 1 62 . 2 1 1 A 8 8 ARG H H 8 8.376 8.794 -0.418 1 1 63 . 2 1 1 A 8 8 ARG HA H 8 4.335 5.191 -0.856 1 1 70 . 2 1 1 A 8 8 ARG CA C 8 56.013 54.303 1.710 1 1 71 . 2 1 1 A 8 8 ARG CB C 8 30.528 33.494 -2.966 1 1 74 . 2 1 1 A 8 8 ARG N N 8 124.504 121.734 2.770 1 1 75 . 2 1 1 A 9 9 GLN H H 9 8.360 8.617 -0.257 1 1 76 . 2 1 1 A 9 9 GLN HA H 9 4.353 4.395 -0.042 1 1 81 . 2 1 1 A 9 9 GLN CA C 9 55.446 55.712 -0.266 1 1 82 . 2 1 1 A 9 9 GLN CB C 9 29.236 29.328 -0.092 1 1 84 . 2 1 1 A 9 9 GLN N N 9 121.537 123.954 -2.417 1 1 85 . 2 1 1 A 10 10 MET H H 10 8.391 8.844 -0.453 1 1 86 . 2 1 1 A 10 10 MET HA H 10 4.459 5.292 -0.833 1 1 91 . 2 1 1 A 10 10 MET CA C 10 55.062 54.105 0.957 1 1 92 . 2 1 1 A 10 10 MET CB C 10 32.482 34.711 -2.229 1 1 94 . 2 1 1 A 10 10 MET N N 10 122.199 121.288 0.911 1 1 95 . 2 1 1 A 11 11 LYS H H 11 8.317 9.020 -0.703 1 1 96 . 2 1 1 A 11 11 LYS HA H 11 4.296 4.871 -0.575 1 1 105 . 2 1 1 A 11 11 LYS CA C 11 56.114 54.587 1.527 1 1 106 . 2 1 1 A 11 11 LYS CB C 11 32.372 35.269 -2.897 1 1 110 . 2 1 1 A 11 11 LYS N N 11 122.440 124.597 -2.157 1 1 111 . 2 1 1 A 12 12 HIS H H 12 8.489 8.573 -0.084 1 1 112 . 2 1 1 A 12 12 HIS HA H 12 4.748 5.777 -1.029 1 1 116 . 2 1 1 A 12 12 HIS CA C 12 55.052 53.079 1.973 1 1 117 . 2 1 1 A 12 12 HIS CB C 12 29.094 33.424 -4.330 1 1 119 . 2 1 1 A 12 12 HIS N N 12 119.934 120.246 -0.312 1 1 120 . 2 1 1 A 13 13 SER H H 13 8.401 8.839 -0.438 1 1 121 . 2 1 1 A 13 13 SER HA H 13 4.518 5.141 -0.623 1 1 124 . 2 1 1 A 13 13 SER CA C 13 57.855 57.288 0.567 1 1 125 . 2 1 1 A 13 13 SER CB C 13 63.750 65.921 -2.171 1 1 126 . 2 1 1 A 13 13 SER N N 13 117.596 116.161 1.435 1 1 127 . 2 1 1 A 14 14 VAL H H 14 8.285 8.584 -0.299 1 1 128 . 2 1 1 A 14 14 VAL HA H 14 4.239 4.850 -0.611 1 1 136 . 2 1 1 A 14 14 VAL CA C 14 62.078 60.296 1.782 1 1 137 . 2 1 1 A 14 14 VAL CB C 14 32.564 35.011 -2.447 1 1 140 . 2 1 1 A 14 14 VAL N N 14 121.378 121.849 -0.471 1 1 141 . 2 1 1 A 15 15 SER H H 15 8.419 8.862 -0.443 1 1 142 . 2 1 1 A 15 15 SER HA H 15 4.556 5.126 -0.570 1 1 145 . 2 1 1 A 15 15 SER CA C 15 57.855 57.849 0.006 1 1 146 . 2 1 1 A 15 15 SER CB C 15 63.600 65.949 -2.349 1 1 147 . 2 1 1 A 15 15 SER N N 15 119.022 121.824 -2.802 1 1 148 . 2 1 1 A 16 16 THR H H 16 8.189 8.866 -0.677 1 1 149 . 2 1 1 A 16 16 THR HA H 16 4.362 5.207 -0.845 1 1 154 . 2 1 1 A 16 16 THR CA C 16 61.510 59.778 1.732 1 1 155 . 2 1 1 A 16 16 THR CB C 16 69.292 71.595 -2.303 1 1 157 . 2 1 1 A 16 16 THR N N 16 116.040 114.485 1.555 1 1 158 . 2 1 1 A 17 17 LEU H H 17 8.168 8.649 -0.481 1 1 159 . 2 1 1 A 17 17 LEU HA H 17 4.331 5.019 -0.688 1 1 169 . 2 1 1 A 17 17 LEU CA C 17 55.446 53.098 2.348 1 1 170 . 2 1 1 A 17 17 LEU CB C 17 42.032 44.405 -2.373 1 1 174 . 2 1 1 A 17 17 LEU N N 17 123.796 121.944 1.852 1 1 175 . 2 1 1 A 18 18 ASN H H 18 8.406 8.701 -0.295 1 1 176 . 2 1 1 A 18 18 ASN HA H 18 4.685 5.145 -0.460 1 1 181 . 2 1 1 A 18 18 ASN CA C 18 53.276 52.044 1.232 1 1 182 . 2 1 1 A 18 18 ASN CB C 18 38.462 40.885 -2.423 1 1 183 . 2 1 1 A 18 18 ASN N N 18 119.197 119.247 -0.050 1 1 185 . 2 1 1 A 19 19 GLN H H 19 8.346 8.500 -0.154 1 1 186 . 2 1 1 A 19 19 GLN HA H 19 4.319 4.767 -0.448 1 1 193 . 2 1 1 A 19 19 GLN CA C 19 56.075 54.260 1.815 1 1 194 . 2 1 1 A 19 19 GLN CB C 19 29.077 31.182 -2.105 1 1 196 . 2 1 1 A 19 19 GLN N N 19 120.620 118.698 1.922 1 1 198 . 2 1 1 A 20 20 GLU H H 20 8.474 8.801 -0.327 1 1 199 . 2 1 1 A 20 20 GLU HA H 20 4.269 4.646 -0.377 1 1 204 . 2 1 1 A 20 20 GLU CA C 20 56.932 56.124 0.808 1 1 205 . 2 1 1 A 20 20 GLU CB C 20 29.694 30.894 -1.200 1 1 207 . 2 1 1 A 20 20 GLU N N 20 121.410 121.294 0.116 1 1 208 . 2 1 1 A 21 21 MET H H 21 8.366 8.741 -0.375 1 1 209 . 2 1 1 A 21 21 MET HA H 21 4.538 5.071 -0.533 1 1 214 . 2 1 1 A 21 21 MET CA C 21 55.812 53.576 2.236 1 1 215 . 2 1 1 A 21 21 MET CB C 21 32.188 33.980 -1.792 1 1 217 . 2 1 1 A 21 21 MET N N 21 120.618 122.515 -1.897 1 1 218 . 2 1 1 A 22 22 THR H H 22 8.127 8.471 -0.344 1 1 219 . 2 1 1 A 22 22 THR HA H 22 4.299 4.551 -0.252 1 1 224 . 2 1 1 A 22 22 THR CA C 22 62.287 60.649 1.638 1 1 225 . 2 1 1 A 22 22 THR CB C 22 69.174 71.526 -2.352 1 1 227 . 2 1 1 A 22 22 THR N N 22 114.858 110.718 4.140 1 1 228 . 2 1 1 A 23 23 GLN H H 23 8.342 8.295 0.047 1 1 229 . 2 1 1 A 23 23 GLN HA H 23 4.339 4.322 0.017 1 1 236 . 2 1 1 A 23 23 GLN CA C 23 56.148 55.830 0.318 1 1 237 . 2 1 1 A 23 23 GLN CB C 23 29.112 28.483 0.629 1 1 239 . 2 1 1 A 23 23 GLN N N 23 122.047 119.640 2.407 1 1 241 . 2 1 1 A 24 24 LEU H H 24 8.174 8.785 -0.611 1 1 242 . 2 1 1 A 24 24 LEU HA H 24 4.334 4.502 -0.168 1 1 252 . 2 1 1 A 24 24 LEU CA C 24 55.519 52.856 2.663 1 1 253 . 2 1 1 A 24 24 LEU CB C 24 42.146 44.282 -2.136 1 1 257 . 2 1 1 A 24 24 LEU N N 24 122.328 127.216 -4.888 1 1 258 . 2 1 1 A 25 25 ASN H H 25 8.384 8.634 -0.250 1 1 259 . 2 1 1 A 25 25 ASN HA H 25 4.692 4.674 0.018 1 1 264 . 2 1 1 A 25 25 ASN CA C 25 53.481 53.983 -0.502 1 1 265 . 2 1 1 A 25 25 ASN CB C 25 38.445 39.101 -0.656 1 1 266 . 2 1 1 A 25 25 ASN N N 25 119.262 121.380 -2.118 1 1 268 . 2 1 1 A 26 26 GLN H H 26 8.453 8.755 -0.302 1 1 269 . 2 1 1 A 26 26 GLN HA H 26 4.215 3.926 0.289 1 1 276 . 2 1 1 A 26 26 GLN CA C 26 57.037 59.431 -2.394 1 1 277 . 2 1 1 A 26 26 GLN CB C 26 28.996 28.574 0.422 1 1 279 . 2 1 1 A 26 26 GLN N N 26 120.394 121.599 -1.205 1 1 281 . 2 1 1 A 27 27 GLU H H 27 8.501 8.327 0.174 1 1 282 . 2 1 1 A 27 27 GLU HA H 27 4.202 4.100 0.102 1 1 287 . 2 1 1 A 27 27 GLU CA C 27 58.573 59.123 -0.550 1 1 288 . 2 1 1 A 27 27 GLU CB C 27 29.349 29.109 0.240 1 1 290 . 2 1 1 A 27 27 GLU N N 27 121.130 118.626 2.504 1 1 291 . 2 1 1 A 28 28 THR H H 28 8.032 8.034 -0.002 1 1 292 . 2 1 1 A 28 28 THR HA H 28 4.079 3.982 0.097 1 1 297 . 2 1 1 A 28 28 THR CA C 28 64.762 67.113 -2.351 1 1 298 . 2 1 1 A 28 28 THR CB C 28 68.354 68.696 -0.342 1 1 300 . 2 1 1 A 28 28 THR N N 28 114.032 117.009 -2.977 1 1 301 . 2 1 1 A 29 29 VAL H H 29 7.969 8.027 -0.058 1 1 302 . 2 1 1 A 29 29 VAL HA H 29 3.812 3.597 0.215 1 1 310 . 2 1 1 A 29 29 VAL CA C 29 65.572 66.924 -1.352 1 1 311 . 2 1 1 A 29 29 VAL CB C 29 31.624 31.333 0.291 1 1 314 . 2 1 1 A 29 29 VAL N N 29 122.215 121.582 0.633 1 1 315 . 2 1 1 A 30 30 LYS H H 30 7.910 8.263 -0.353 1 1 316 . 2 1 1 A 30 30 LYS HA H 30 4.175 4.081 0.094 1 1 325 . 2 1 1 A 30 30 LYS CA C 30 57.780 59.115 -1.335 1 1 326 . 2 1 1 A 30 30 LYS CB C 30 31.537 32.049 -0.512 1 1 330 . 2 1 1 A 30 30 LYS N N 30 119.387 119.717 -0.330 1 1 331 . 2 1 1 A 31 31 ILE H H 31 8.277 8.212 0.065 1 1 332 . 2 1 1 A 31 31 ILE HA H 31 3.602 3.653 -0.051 1 1 342 . 2 1 1 A 31 31 ILE CA C 31 65.712 65.228 0.484 1 1 343 . 2 1 1 A 31 31 ILE CB C 31 38.559 37.945 0.614 1 1 347 . 2 1 1 A 31 31 ILE N N 31 121.053 120.231 0.822 1 1 348 . 2 1 1 A 32 32 THR H H 32 7.896 8.138 -0.242 1 1 349 . 2 1 1 A 32 32 THR HA H 32 4.004 3.819 0.185 1 1 354 . 2 1 1 A 32 32 THR CA C 32 65.922 66.858 -0.936 1 1 355 . 2 1 1 A 32 32 THR CB C 32 68.400 68.348 0.052 1 1 357 . 2 1 1 A 32 32 THR N N 32 115.554 117.479 -1.925 1 1 358 . 2 1 1 A 33 33 GLN H H 33 8.279 8.035 0.244 1 1 359 . 2 1 1 A 33 33 GLN HA H 33 3.887 3.826 0.061 1 1 366 . 2 1 1 A 33 33 GLN CA C 33 59.052 59.045 0.007 1 1 367 . 2 1 1 A 33 33 GLN CB C 33 27.889 28.192 -0.303 1 1 369 . 2 1 1 A 33 33 GLN N N 33 120.920 122.266 -1.346 1 1 371 . 2 1 1 A 34 34 GLN H H 34 8.671 7.991 0.680 1 1 372 . 2 1 1 A 34 34 GLN HA H 34 3.615 4.056 -0.441 1 1 379 . 2 1 1 A 34 34 GLN CA C 34 60.424 58.973 1.451 1 1 380 . 2 1 1 A 34 34 GLN CB C 34 30.058 28.644 1.414 1 1 382 . 2 1 1 A 34 34 GLN N N 34 120.388 119.005 1.383 1 1 384 . 2 1 1 A 35 35 ASN H H 35 8.636 8.189 0.447 1 1 385 . 2 1 1 A 35 35 ASN HA H 35 4.595 4.548 0.047 1 1 390 . 2 1 1 A 35 35 ASN CA C 35 55.363 55.809 -0.446 1 1 391 . 2 1 1 A 35 35 ASN CB C 35 36.904 37.837 -0.933 1 1 392 . 2 1 1 A 35 35 ASN N N 35 116.477 118.067 -1.590 1 1 394 . 2 1 1 A 36 36 ARG H H 36 8.321 7.816 0.505 1 1 395 . 2 1 1 A 36 36 ARG HA H 36 4.142 4.048 0.094 1 1 402 . 2 1 1 A 36 36 ARG CA C 36 58.582 59.093 -0.511 1 1 403 . 2 1 1 A 36 36 ARG CB C 36 29.712 30.060 -0.348 1 1 406 . 2 1 1 A 36 36 ARG N N 36 121.347 120.188 1.159 1 1 407 . 2 1 1 A 37 37 LEU H H 37 8.251 8.258 -0.007 1 1 408 . 2 1 1 A 37 37 LEU HA H 37 3.788 3.673 0.115 1 1 418 . 2 1 1 A 37 37 LEU CA C 37 57.094 57.846 -0.752 1 1 419 . 2 1 1 A 37 37 LEU CB C 37 40.554 41.053 -0.499 1 1 423 . 2 1 1 A 37 37 LEU N N 37 120.862 119.820 1.042 1 1 424 . 2 1 1 A 38 38 ASN H H 38 8.047 8.453 -0.406 1 1 425 . 2 1 1 A 38 38 ASN HA H 38 5.134 4.449 0.685 1 1 430 . 2 1 1 A 38 38 ASN CA C 38 54.413 56.555 -2.142 1 1 431 . 2 1 1 A 38 38 ASN CB C 38 38.069 38.057 0.012 1 1 432 . 2 1 1 A 38 38 ASN N N 38 115.574 117.779 -2.205 1 1 434 . 2 1 1 A 39 39 ALA H H 39 7.878 7.572 0.306 1 1 435 . 2 1 1 A 39 39 ALA HA H 39 4.342 4.055 0.287 1 1 439 . 2 1 1 A 39 39 ALA CA C 39 53.981 54.197 -0.216 1 1 440 . 2 1 1 A 39 39 ALA CB C 39 18.340 18.269 0.071 1 1 441 . 2 1 1 A 39 39 ALA N N 39 123.076 121.964 1.112 1 1 442 . 2 1 1 A 40 40 LYS H H 40 7.431 7.262 0.169 1 1 443 . 2 1 1 A 40 40 LYS HA H 40 4.528 4.336 0.192 1 1 452 . 2 1 1 A 40 40 LYS CA C 40 55.285 56.670 -1.385 1 1 453 . 2 1 1 A 40 40 LYS CB C 40 32.852 32.966 -0.114 1 1 457 . 2 1 1 A 40 40 LYS N N 40 114.889 115.442 -0.553 1 1 458 . 2 1 1 A 41 41 SER H H 41 7.671 7.203 0.468 1 1 459 . 2 1 1 A 41 41 SER HA H 41 4.615 4.598 0.017 1 1 462 . 2 1 1 A 41 41 SER CA C 41 58.189 57.543 0.646 1 1 463 . 2 1 1 A 41 41 SER CB C 41 63.924 64.808 -0.884 1 1 464 . 2 1 1 A 41 41 SER N N 41 114.795 116.582 -1.787 1 1 465 . 2 1 1 A 42 42 SER H H 42 8.927 8.816 0.111 1 1 466 . 2 1 1 A 42 42 SER HA H 42 4.792 4.435 0.357 1 1 469 . 2 1 1 A 42 42 SER CA C 42 58.133 59.709 -1.576 1 1 470 . 2 1 1 A 42 42 SER CB C 42 63.712 63.659 0.053 1 1 471 . 2 1 1 A 42 42 SER N N 42 120.934 119.766 1.168 1 1 472 . 2 1 1 A 43 43 SER H H 43 8.320 7.695 0.625 1 1 473 . 2 1 1 A 43 43 SER HA H 43 4.654 4.944 -0.290 1 1 476 . 2 1 1 A 43 43 SER CA C 43 57.309 57.263 0.046 1 1 477 . 2 1 1 A 43 43 SER CB C 43 63.151 64.580 -1.429 1 1 478 . 2 1 1 A 43 43 SER N N 43 115.966 115.702 0.264 1 1 479 . 2 1 1 A 44 44 GLY H H 44 8.182 8.444 -0.262 1 1 480 . 2 1 1 A 44 44 GLY HA2 H 44 4.206 4.165 0.041 1 1 481 . 2 1 1 A 44 44 GLY HA3 H 44 4.399 4.171 0.228 1 1 482 . 2 1 1 A 44 44 GLY CA C 44 44.540 45.298 -0.758 1 1 483 . 2 1 1 A 44 44 GLY N N 44 110.764 111.708 -0.944 1 1 484 . 2 1 1 A 45 45 VAL H H 45 8.341 8.446 -0.105 1 1 485 . 2 1 1 A 45 45 VAL HA H 45 4.845 5.237 -0.392 1 1 493 . 2 1 1 A 45 45 VAL CA C 45 58.981 59.970 -0.989 1 1 494 . 2 1 1 A 45 45 VAL CB C 45 35.239 33.892 1.347 1 1 497 . 2 1 1 A 45 45 VAL N N 45 114.116 117.176 -3.060 1 1 498 . 2 1 1 A 46 46 TYR H H 46 10.501 8.941 1.560 1 1 499 . 2 1 1 A 46 46 TYR HA H 46 5.004 5.163 -0.159 1 1 506 . 2 1 1 A 46 46 TYR CA C 46 58.121 56.767 1.354 1 1 507 . 2 1 1 A 46 46 TYR CB C 46 41.382 38.880 2.502 1 1 510 . 2 1 1 A 46 46 TYR N N 46 123.384 122.719 0.665 1 1 511 . 2 1 1 A 47 47 LEU H H 47 9.364 9.352 0.012 1 1 512 . 2 1 1 A 47 47 LEU HA H 47 4.695 4.982 -0.287 1 1 522 . 2 1 1 A 47 47 LEU CA C 47 52.769 53.885 -1.116 1 1 523 . 2 1 1 A 47 47 LEU CB C 47 44.689 42.234 2.455 1 1 527 . 2 1 1 A 47 47 LEU N N 47 118.822 126.515 -7.693 1 1 528 . 2 1 1 A 48 48 LEU H H 48 9.128 8.882 0.246 1 1 529 . 2 1 1 A 48 48 LEU HA H 48 5.232 4.762 0.470 1 1 539 . 2 1 1 A 48 48 LEU CA C 48 51.100 52.001 -0.901 1 1 540 . 2 1 1 A 48 48 LEU CB C 48 40.141 41.434 -1.293 1 1 544 . 2 1 1 A 48 48 LEU N N 48 123.384 126.136 -2.752 1 1 545 . 2 1 1 A 49 49 PRO HA H 49 4.090 4.290 -0.200 1 1 552 . 2 1 1 A 49 49 PRO CA C 49 64.912 65.474 -0.562 1 1 553 . 2 1 1 A 49 49 PRO CB C 49 31.607 31.936 -0.329 1 1 556 . 2 1 1 A 50 50 GLY H H 50 9.181 8.517 0.664 1 1 557 . 2 1 1 A 50 50 GLY HA2 H 50 3.933 3.880 0.053 1 1 558 . 2 1 1 A 50 50 GLY HA3 H 50 4.757 3.884 0.873 1 1 559 . 2 1 1 A 50 50 GLY CA C 50 45.499 47.019 -1.520 1 1 560 . 2 1 1 A 50 50 GLY N N 50 106.827 106.452 0.375 1 1 561 . 2 1 1 A 51 51 ALA H H 51 7.857 7.524 0.333 1 1 562 . 2 1 1 A 51 51 ALA HA H 51 4.264 4.390 -0.126 1 1 566 . 2 1 1 A 51 51 ALA CA C 51 53.156 51.170 1.986 1 1 567 . 2 1 1 A 51 51 ALA CB C 51 18.492 18.491 0.001 1 1 568 . 2 1 1 A 51 51 ALA N N 51 120.192 121.507 -1.315 1 1 569 . 2 1 1 A 52 52 LYS H H 52 7.787 8.552 -0.765 1 1 570 . 2 1 1 A 52 52 LYS HA H 52 4.094 4.430 -0.336 1 1 579 . 2 1 1 A 52 52 LYS CA C 52 56.979 55.850 1.129 1 1 580 . 2 1 1 A 52 52 LYS CB C 52 30.731 30.664 0.067 1 1 584 . 2 1 1 A 52 52 LYS N N 52 115.260 123.920 -8.660 1 1 585 . 2 1 1 A 53 53 THR H H 53 8.043 8.330 -0.287 1 1 586 . 2 1 1 A 53 53 THR HA H 53 4.924 5.075 -0.151 1 1 591 . 2 1 1 A 53 53 THR CA C 53 59.565 58.567 0.998 1 1 592 . 2 1 1 A 53 53 THR CB C 53 72.729 70.700 2.029 1 1 594 . 2 1 1 A 53 53 THR N N 53 114.085 112.819 1.266 1 1 595 . 2 1 1 A 54 54 PRO HA H 54 4.860 5.240 -0.380 1 1 602 . 2 1 1 A 54 54 PRO CA C 54 62.176 62.255 -0.079 1 1 603 . 2 1 1 A 54 54 PRO CB C 54 32.820 32.525 0.295 1 1 606 . 2 1 1 A 55 55 ALA H H 55 8.834 8.523 0.311 1 1 607 . 2 1 1 A 55 55 ALA HA H 55 4.824 5.005 -0.181 1 1 611 . 2 1 1 A 55 55 ALA CA C 55 50.500 50.813 -0.313 1 1 612 . 2 1 1 A 55 55 ALA CB C 55 22.858 22.779 0.079 1 1 613 . 2 1 1 A 55 55 ALA N N 55 122.227 122.084 0.143 1 1 614 . 2 1 1 A 56 56 ARG H H 56 8.445 8.687 -0.242 1 1 615 . 2 1 1 A 56 56 ARG HA H 56 5.262 4.666 0.596 1 1 623 . 2 1 1 A 56 56 ARG CA C 56 54.401 56.070 -1.669 1 1 624 . 2 1 1 A 56 56 ARG CB C 56 32.849 31.148 1.701 1 1 627 . 2 1 1 A 56 56 ARG N N 56 121.194 123.219 -2.025 1 1 629 . 2 1 1 A 57 57 LEU H H 57 9.159 8.953 0.206 1 1 630 . 2 1 1 A 57 57 LEU HA H 57 4.672 4.873 -0.201 1 1 640 . 2 1 1 A 57 57 LEU CA C 57 53.028 54.298 -1.270 1 1 641 . 2 1 1 A 57 57 LEU CB C 57 46.231 45.600 0.631 1 1 645 . 2 1 1 A 57 57 LEU N N 57 125.694 126.827 -1.133 1 1 646 . 2 1 1 A 58 58 GLU H H 58 8.890 8.848 0.042 1 1 647 . 2 1 1 A 58 58 GLU HA H 58 4.535 4.675 -0.140 1 1 652 . 2 1 1 A 58 58 GLU CA C 58 55.733 56.390 -0.657 1 1 653 . 2 1 1 A 58 58 GLU CB C 58 27.970 30.594 -2.624 1 1 655 . 2 1 1 A 58 58 GLU N N 58 127.677 127.096 0.581 1 1 656 . 2 1 1 A 59 59 SER H H 59 7.772 8.824 -1.052 1 1 657 . 2 1 1 A 59 59 SER HA H 59 4.970 5.062 -0.092 1 1 661 . 2 1 1 A 59 59 SER CA C 59 57.576 55.958 1.618 1 1 662 . 2 1 1 A 59 59 SER CB C 59 69.174 66.632 2.542 1 1 663 . 2 1 1 A 59 59 SER N N 59 121.860 118.393 3.467 1 1 664 . 2 1 1 A 60 60 GLN H H 60 9.336 8.087 1.249 1 1 665 . 2 1 1 A 60 60 GLN HA H 60 4.262 4.121 0.141 1 1 672 . 2 1 1 A 60 60 GLN CA C 60 57.792 58.417 -0.625 1 1 673 . 2 1 1 A 60 60 GLN CB C 60 29.669 28.210 1.459 1 1 675 . 2 1 1 A 60 60 GLN N N 60 119.522 118.107 1.415 1 1 677 . 2 1 1 A 61 61 ILE H H 61 8.007 7.268 0.739 1 1 678 . 2 1 1 A 61 61 ILE HA H 61 4.623 4.359 0.264 1 1 688 . 2 1 1 A 61 61 ILE CA C 61 59.813 61.070 -1.257 1 1 689 . 2 1 1 A 61 61 ILE CB C 61 37.013 39.211 -2.198 1 1 693 . 2 1 1 A 61 61 ILE N N 61 109.398 111.720 -2.322 1 1 694 . 2 1 1 A 62 62 GLY H H 62 7.223 6.980 0.243 1 1 695 . 2 1 1 A 62 62 GLY HA2 H 62 4.493 4.032 0.461 1 1 696 . 2 1 1 A 62 62 GLY HA3 H 62 3.872 4.044 -0.172 1 1 697 . 2 1 1 A 62 62 GLY CA C 62 43.022 45.216 -2.194 1 1 698 . 2 1 1 A 62 62 GLY N N 62 109.035 108.961 0.074 1 1 699 . 2 1 1 A 63 63 THR H H 63 8.910 8.469 0.441 1 1 700 . 2 1 1 A 63 63 THR HA H 63 4.599 5.050 -0.451 1 1 705 . 2 1 1 A 63 63 THR CA C 63 64.037 62.866 1.171 1 1 706 . 2 1 1 A 63 63 THR CB C 63 68.111 69.893 -1.782 1 1 708 . 2 1 1 A 63 63 THR N N 63 119.711 116.728 2.983 1 1 709 . 2 1 1 A 64 64 LEU H H 64 9.070 9.110 -0.040 1 1 710 . 2 1 1 A 64 64 LEU HA H 64 5.120 5.389 -0.269 1 1 720 . 2 1 1 A 64 64 LEU CA C 64 52.680 52.485 0.195 1 1 721 . 2 1 1 A 64 64 LEU CB C 64 44.749 46.152 -1.403 1 1 725 . 2 1 1 A 64 64 LEU N N 64 127.640 123.538 4.102 1 1 726 . 2 1 1 A 65 65 ARG H H 65 9.271 8.964 0.307 1 1 727 . 2 1 1 A 65 65 ARG HA H 65 4.989 5.411 -0.422 1 1 735 . 2 1 1 A 65 65 ARG CA C 65 54.814 54.660 0.154 1 1 736 . 2 1 1 A 65 65 ARG CB C 65 31.836 33.427 -1.591 1 1 739 . 2 1 1 A 65 65 ARG N N 65 122.680 119.403 3.277 1 1 741 . 2 1 1 A 66 66 MET H H 66 9.310 8.611 0.699 1 1 742 . 2 1 1 A 66 66 MET HA H 66 5.822 5.820 0.002 1 1 747 . 2 1 1 A 66 66 MET CA C 66 53.936 54.145 -0.209 1 1 748 . 2 1 1 A 66 66 MET CB C 66 35.912 34.375 1.537 1 1 750 . 2 1 1 A 66 66 MET N N 66 125.309 126.738 -1.429 1 1 751 . 2 1 1 A 67 67 SER H H 67 8.943 8.616 0.327 1 1 752 . 2 1 1 A 67 67 SER HA H 67 4.660 5.198 -0.538 1 1 755 . 2 1 1 A 67 67 SER CA C 67 57.460 56.712 0.748 1 1 756 . 2 1 1 A 67 67 SER CB C 67 65.747 66.192 -0.445 1 1 757 . 2 1 1 A 67 67 SER N N 67 112.115 115.070 -2.955 1 1 758 . 2 1 1 A 68 68 LEU H H 68 8.410 8.835 -0.425 1 1 759 . 2 1 1 A 68 68 LEU HA H 68 5.115 4.956 0.159 1 1 769 . 2 1 1 A 68 68 LEU CA C 68 52.837 53.565 -0.728 1 1 770 . 2 1 1 A 68 68 LEU CB C 68 42.269 42.062 0.207 1 1 774 . 2 1 1 A 68 68 LEU N N 68 118.367 124.237 -5.870 1 1 775 . 2 1 1 A 69 69 VAL H H 69 9.060 8.234 0.826 1 1 776 . 2 1 1 A 69 69 VAL HA H 69 4.440 4.606 -0.166 1 1 784 . 2 1 1 A 69 69 VAL CA C 69 59.852 59.494 0.358 1 1 785 . 2 1 1 A 69 69 VAL CB C 69 35.349 35.448 -0.099 1 1 788 . 2 1 1 A 69 69 VAL N N 69 119.888 118.537 1.351 1 1 789 . 2 1 1 A 70 70 ASN H H 70 8.651 8.765 -0.114 1 1 790 . 2 1 1 A 70 70 ASN HA H 70 4.345 4.225 0.120 1 1 795 . 2 1 1 A 70 70 ASN CA C 70 53.555 54.002 -0.447 1 1 796 . 2 1 1 A 70 70 ASN CB C 70 36.932 36.883 0.049 1 1 797 . 2 1 1 A 70 70 ASN N N 70 119.166 117.862 1.304 1 1 799 . 2 1 1 A 71 71 ILE H H 71 8.449 8.086 0.363 1 1 800 . 2 1 1 A 71 71 ILE HA H 71 4.235 4.078 0.157 1 1 810 . 2 1 1 A 71 71 ILE CA C 71 63.104 61.840 1.264 1 1 811 . 2 1 1 A 71 71 ILE CB C 71 37.200 37.029 0.171 1 1 815 . 2 1 1 A 71 71 ILE N N 71 121.388 119.570 1.818 1 1 816 . 2 1 1 A 72 72 THR H H 72 9.511 8.742 0.769 1 1 817 . 2 1 1 A 72 72 THR HA H 72 4.967 5.072 -0.105 1 1 822 . 2 1 1 A 72 72 THR CA C 72 59.584 58.610 0.974 1 1 823 . 2 1 1 A 72 72 THR CB C 72 71.930 70.460 1.470 1 1 825 . 2 1 1 A 72 72 THR N N 72 125.726 117.344 8.382 1 1 826 . 2 1 1 A 73 73 PRO HA H 73 4.822 4.544 0.278 1 1 833 . 2 1 1 A 73 73 PRO CA C 73 63.362 62.902 0.460 1 1 834 . 2 1 1 A 73 73 PRO CB C 73 32.451 32.598 -0.147 1 1 837 . 2 1 1 A 74 74 ASP H H 74 8.404 8.827 -0.423 1 1 838 . 2 1 1 A 74 74 ASP HA H 74 4.824 4.994 -0.170 1 1 841 . 2 1 1 A 74 74 ASP CA C 74 52.609 52.424 0.185 1 1 842 . 2 1 1 A 74 74 ASP CB C 74 43.743 44.254 -0.511 1 1 843 . 2 1 1 A 74 74 ASP N N 74 122.325 121.551 0.774 1 1 844 . 2 1 1 A 75 75 ALA H H 75 8.539 8.800 -0.261 1 1 845 . 2 1 1 A 75 75 ALA HA H 75 4.062 4.083 -0.021 1 1 849 . 2 1 1 A 75 75 ALA CA C 75 54.431 55.397 -0.966 1 1 850 . 2 1 1 A 75 75 ALA CB C 75 18.117 18.349 -0.232 1 1 851 . 2 1 1 A 75 75 ALA N N 75 123.501 125.569 -2.068 1 1 852 . 2 1 1 A 76 76 ASP H H 76 8.356 8.157 0.199 1 1 853 . 2 1 1 A 76 76 ASP HA H 76 4.815 4.778 0.037 1 1 856 . 2 1 1 A 76 76 ASP CA C 76 53.161 54.508 -1.347 1 1 857 . 2 1 1 A 76 76 ASP CB C 76 41.234 42.523 -1.289 1 1 858 . 2 1 1 A 76 76 ASP N N 76 115.326 114.197 1.129 1 1 859 . 2 1 1 A 77 77 GLY H H 77 7.569 7.210 0.359 1 1 860 . 2 1 1 A 77 77 GLY HA2 H 77 3.925 4.095 -0.170 1 1 861 . 2 1 1 A 77 77 GLY HA3 H 77 4.508 4.097 0.411 1 1 862 . 2 1 1 A 77 77 GLY CA C 77 46.675 46.100 0.575 1 1 863 . 2 1 1 A 77 77 GLY N N 77 109.452 104.465 4.987 1 1 864 . 2 1 1 A 78 78 THR H H 78 8.272 8.274 -0.002 1 1 865 . 2 1 1 A 78 78 THR HA H 78 4.655 4.945 -0.290 1 1 870 . 2 1 1 A 78 78 THR CA C 78 63.204 61.159 2.045 1 1 871 . 2 1 1 A 78 78 THR CB C 78 72.222 71.918 0.304 1 1 873 . 2 1 1 A 78 78 THR N N 78 122.442 115.452 6.990 1 1 874 . 2 1 1 A 79 79 THR H H 79 9.027 8.939 0.088 1 1 875 . 2 1 1 A 79 79 THR HA H 79 5.164 5.655 -0.491 1 1 880 . 2 1 1 A 79 79 THR CA C 79 60.303 60.504 -0.201 1 1 881 . 2 1 1 A 79 79 THR CB C 79 70.442 70.109 0.333 1 1 883 . 2 1 1 A 79 79 THR N N 79 121.451 118.929 2.522 1 1 884 . 2 1 1 A 80 80 LEU H H 80 8.698 8.974 -0.276 1 1 885 . 2 1 1 A 80 80 LEU HA H 80 4.835 5.074 -0.239 1 1 895 . 2 1 1 A 80 80 LEU CA C 80 54.194 52.994 1.200 1 1 896 . 2 1 1 A 80 80 LEU CB C 80 44.576 45.615 -1.039 1 1 900 . 2 1 1 A 80 80 LEU N N 80 119.374 124.497 -5.123 1 1 901 . 2 1 1 A 81 81 THR H H 81 8.675 9.065 -0.390 1 1 902 . 2 1 1 A 81 81 THR HA H 81 4.740 4.553 0.187 1 1 907 . 2 1 1 A 81 81 THR CA C 81 61.838 62.483 -0.645 1 1 908 . 2 1 1 A 81 81 THR CB C 81 70.190 69.056 1.134 1 1 910 . 2 1 1 A 81 81 THR N N 81 116.982 118.415 -1.433 1 1 911 . 2 1 1 A 82 82 LEU H H 82 8.898 9.024 -0.126 1 1 912 . 2 1 1 A 82 82 LEU HA H 82 4.748 4.836 -0.088 1 1 922 . 2 1 1 A 82 82 LEU CA C 82 53.076 54.442 -1.366 1 1 923 . 2 1 1 A 82 82 LEU CB C 82 43.189 43.048 0.141 1 1 927 . 2 1 1 A 82 82 LEU N N 82 130.905 129.635 1.270 1 1 928 . 2 1 1 A 83 83 ARG H H 83 9.162 8.751 0.411 1 1 929 . 2 1 1 A 83 83 ARG HA H 83 5.174 4.722 0.452 1 1 936 . 2 1 1 A 83 83 ARG CA C 83 54.441 55.694 -1.253 1 1 937 . 2 1 1 A 83 83 ARG CB C 83 31.332 30.865 0.467 1 1 940 . 2 1 1 A 83 83 ARG N N 83 131.064 126.525 4.539 1 1 941 . 2 1 1 A 84 84 ILE H H 84 9.474 9.356 0.118 1 1 942 . 2 1 1 A 84 84 ILE HA H 84 4.611 4.583 0.028 1 1 952 . 2 1 1 A 84 84 ILE CA C 84 60.486 60.995 -0.509 1 1 953 . 2 1 1 A 84 84 ILE CB C 84 40.120 37.248 2.872 1 1 957 . 2 1 1 A 84 84 ILE N N 84 128.394 126.666 1.728 1 1 958 . 2 1 1 A 85 85 GLN H H 85 9.137 9.046 0.091 1 1 959 . 2 1 1 A 85 85 GLN HA H 85 5.457 4.715 0.742 1 1 966 . 2 1 1 A 85 85 GLN CA C 85 53.109 54.756 -1.647 1 1 967 . 2 1 1 A 85 85 GLN CB C 85 32.450 29.598 2.852 1 1 969 . 2 1 1 A 85 85 GLN N N 85 124.857 128.259 -3.402 1 1 971 . 2 1 1 A 86 86 GLY H H 86 9.090 8.502 0.588 1 1 972 . 2 1 1 A 86 86 GLY HA2 H 86 3.813 4.049 -0.236 1 1 973 . 2 1 1 A 86 86 GLY HA3 H 86 4.499 4.061 0.438 1 1 974 . 2 1 1 A 86 86 GLY CA C 86 44.877 45.379 -0.502 1 1 975 . 2 1 1 A 86 86 GLY N N 86 110.702 114.117 -3.415 1 1 976 . 2 1 1 A 87 87 GLU H H 87 8.128 8.879 -0.751 1 1 977 . 2 1 1 A 87 87 GLU HA H 87 4.472 4.090 0.382 1 1 982 . 2 1 1 A 87 87 GLU CA C 87 56.057 59.272 -3.215 1 1 983 . 2 1 1 A 87 87 GLU CB C 87 29.943 29.558 0.385 1 1 985 . 2 1 1 A 87 87 GLU N N 87 120.445 121.703 -1.258 1 1 986 . 2 1 1 A 88 88 SER H H 88 8.063 7.763 0.300 1 1 987 . 2 1 1 A 88 88 SER HA H 88 4.469 4.521 -0.052 1 1 990 . 2 1 1 A 88 88 SER CA C 88 57.472 60.012 -2.540 1 1 991 . 2 1 1 A 88 88 SER CB C 88 63.799 63.370 0.429 1 1 992 . 2 1 1 A 88 88 SER N N 88 113.821 114.790 -0.969 1 1 993 . 2 1 1 A 89 89 ASN H H 89 8.502 9.095 -0.593 1 1 994 . 2 1 1 A 89 89 ASN HA H 89 4.533 4.493 0.040 1 1 999 . 2 1 1 A 89 89 ASN CA C 89 53.715 55.839 -2.124 1 1 1000 . 2 1 1 A 89 89 ASN CB C 89 38.212 38.219 -0.007 1 1 1001 . 2 1 1 A 89 89 ASN N N 89 119.482 125.562 -6.080 1 1 1003 . 2 1 1 A 90 90 ASP H H 90 8.104 7.759 0.345 1 1 1004 . 2 1 1 A 90 90 ASP HA H 90 5.061 4.705 0.356 1 1 1007 . 2 1 1 A 90 90 ASP CA C 90 51.392 53.115 -1.723 1 1 1008 . 2 1 1 A 90 90 ASP CB C 90 41.223 40.447 0.776 1 1 1009 . 2 1 1 A 90 90 ASP N N 90 119.891 120.145 -0.254 1 1 1010 . 2 1 1 A 91 91 PRO HA H 91 4.156 4.667 -0.511 1 1 1017 . 2 1 1 A 91 91 PRO CA C 91 62.200 63.214 -1.014 1 1 1018 . 2 1 1 A 91 91 PRO CB C 91 30.844 31.717 -0.873 1 1 1021 . 2 1 1 A 92 92 LEU H H 92 8.206 8.464 -0.258 1 1 1022 . 2 1 1 A 92 92 LEU HA H 92 4.504 4.565 -0.061 1 1 1032 . 2 1 1 A 92 92 LEU CA C 92 52.697 53.098 -0.401 1 1 1033 . 2 1 1 A 92 92 LEU CB C 92 41.249 41.138 0.111 1 1 1037 . 2 1 1 A 92 92 LEU N N 92 123.954 124.056 -0.102 1 1 1038 . 2 1 1 A 93 93 PRO HA H 93 4.808 4.644 0.164 1 1 1045 . 2 1 1 A 93 93 PRO CA C 93 61.122 62.274 -1.152 1 1 1046 . 2 1 1 A 93 93 PRO CB C 93 32.289 32.685 -0.396 1 1 1049 . 2 1 1 A 94 94 ALA H H 94 8.420 8.410 0.010 1 1 1050 . 2 1 1 A 94 94 ALA HA H 94 4.164 4.525 -0.361 1 1 1054 . 2 1 1 A 94 94 ALA CA C 94 52.655 52.723 -0.068 1 1 1055 . 2 1 1 A 94 94 ALA CB C 94 18.563 19.792 -1.229 1 1 1056 . 2 1 1 A 94 94 ALA N N 94 120.368 123.147 -2.779 1 1 1057 . 2 1 1 A 95 95 PHE H H 95 7.961 7.901 0.060 1 1 1058 . 2 1 1 A 95 95 PHE HA H 95 5.489 5.504 -0.015 1 1 1066 . 2 1 1 A 95 95 PHE CA C 95 56.213 55.434 0.779 1 1 1067 . 2 1 1 A 95 95 PHE CB C 95 41.552 42.463 -0.911 1 1 1071 . 2 1 1 A 95 95 PHE N N 95 115.209 117.148 -1.939 1 1 1072 . 2 1 1 A 96 96 SER H H 96 9.231 8.981 0.250 1 1 1073 . 2 1 1 A 96 96 SER HA H 96 5.427 5.308 0.119 1 1 1076 . 2 1 1 A 96 96 SER CA C 96 55.549 57.294 -1.745 1 1 1077 . 2 1 1 A 96 96 SER CB C 96 66.681 66.259 0.422 1 1 1078 . 2 1 1 A 96 96 SER N N 96 114.106 113.077 1.029 1 1 1079 . 2 1 1 A 97 97 GLY H H 97 8.269 8.182 0.087 1 1 1080 . 2 1 1 A 97 97 GLY HA2 H 97 4.612 4.169 0.443 1 1 1081 . 2 1 1 A 97 97 GLY HA3 H 97 3.571 4.192 -0.621 1 1 1082 . 2 1 1 A 97 97 GLY CA C 97 45.139 45.989 -0.850 1 1 1083 . 2 1 1 A 97 97 GLY N N 97 104.730 107.302 -2.572 1 1 1084 . 2 1 1 A 98 98 THR H H 98 8.068 8.529 -0.461 1 1 1085 . 2 1 1 A 98 98 THR HA H 98 4.836 4.984 -0.148 1 1 1090 . 2 1 1 A 98 98 THR CA C 98 62.462 61.194 1.268 1 1 1091 . 2 1 1 A 98 98 THR CB C 98 70.240 69.693 0.547 1 1 1093 . 2 1 1 A 98 98 THR N N 98 115.596 116.081 -0.485 1 1 1094 . 2 1 1 A 99 99 VAL H H 99 9.016 9.400 -0.384 1 1 1095 . 2 1 1 A 99 99 VAL HA H 99 5.040 4.836 0.204 1 1 1103 . 2 1 1 A 99 99 VAL CA C 99 59.695 60.069 -0.374 1 1 1104 . 2 1 1 A 99 99 VAL CB C 99 33.810 33.866 -0.056 1 1 1107 . 2 1 1 A 99 99 VAL N N 99 124.571 128.387 -3.816 1 1 1108 . 2 1 1 A 100 100 GLU H H 100 9.595 9.302 0.293 1 1 1109 . 2 1 1 A 100 100 GLU HA H 100 5.463 5.037 0.426 1 1 1114 . 2 1 1 A 100 100 GLU CA C 100 53.132 55.130 -1.998 1 1 1115 . 2 1 1 A 100 100 GLU CB C 100 31.806 31.358 0.448 1 1 1117 . 2 1 1 A 100 100 GLU N N 100 125.607 127.900 -2.293 1 1 1118 . 2 1 1 A 101 101 TYR H H 101 8.576 8.635 -0.059 1 1 1119 . 2 1 1 A 101 101 TYR HA H 101 4.568 5.672 -1.104 1 1 1126 . 2 1 1 A 101 101 TYR CA C 101 54.809 54.932 -0.123 1 1 1127 . 2 1 1 A 101 101 TYR CB C 101 39.516 41.378 -1.862 1 1 1130 . 2 1 1 A 101 101 TYR N N 101 117.224 122.273 -5.049 1 1 1131 . 2 1 1 A 102 102 GLY H H 102 6.489 7.598 -1.109 1 1 1132 . 2 1 1 A 102 102 GLY HA2 H 102 3.948 4.162 -0.214 1 1 1133 . 2 1 1 A 102 102 GLY HA3 H 102 4.190 4.202 -0.012 1 1 1134 . 2 1 1 A 102 102 GLY CA C 102 46.509 45.668 0.841 1 1 1135 . 2 1 1 A 102 102 GLY N N 102 103.890 106.495 -2.605 1 1 1136 . 2 1 1 A 103 103 GLN H H 103 8.789 8.906 -0.117 1 1 1137 . 2 1 1 A 103 103 GLN HA H 103 4.893 5.302 -0.409 1 1 1144 . 2 1 1 A 103 103 GLN CA C 103 54.742 54.106 0.636 1 1 1145 . 2 1 1 A 103 103 GLN CB C 103 31.972 32.673 -0.701 1 1 1147 . 2 1 1 A 103 103 GLN N N 103 121.055 120.301 0.754 1 1 1149 . 2 1 1 A 104 104 ILE H H 104 8.877 8.959 -0.082 1 1 1150 . 2 1 1 A 104 104 ILE HA H 104 5.033 4.808 0.225 1 1 1160 . 2 1 1 A 104 104 ILE CA C 104 59.495 60.430 -0.935 1 1 1161 . 2 1 1 A 104 104 ILE CB C 104 40.485 40.078 0.407 1 1 1165 . 2 1 1 A 104 104 ILE N N 104 119.483 121.713 -2.230 1 1 1166 . 2 1 1 A 105 105 GLN H H 105 8.807 8.387 0.420 1 1 1167 . 2 1 1 A 105 105 GLN HA H 105 4.785 4.783 0.002 1 1 1174 . 2 1 1 A 105 105 GLN CA C 105 53.586 54.833 -1.247 1 1 1175 . 2 1 1 A 105 105 GLN CB C 105 32.029 29.428 2.601 1 1 1177 . 2 1 1 A 105 105 GLN N N 105 126.014 121.398 4.616 1 1 1179 . 2 1 1 A 106 106 GLY H H 106 8.680 8.078 0.602 1 1 1180 . 2 1 1 A 106 106 GLY HA2 H 106 4.878 4.173 0.705 1 1 1181 . 2 1 1 A 106 106 GLY HA3 H 106 3.898 4.208 -0.310 1 1 1182 . 2 1 1 A 106 106 GLY CA C 106 43.994 45.043 -1.049 1 1 1183 . 2 1 1 A 106 106 GLY N N 106 111.899 109.786 2.113 1 1 1184 . 2 1 1 A 107 107 THR H H 107 7.984 8.555 -0.571 1 1 1185 . 2 1 1 A 107 107 THR HA H 107 4.571 4.762 -0.191 1 1 1190 . 2 1 1 A 107 107 THR CA C 107 59.611 60.059 -0.448 1 1 1191 . 2 1 1 A 107 107 THR CB C 107 71.146 72.227 -1.081 1 1 1193 . 2 1 1 A 107 107 THR N N 107 111.498 111.288 0.210 1 1 1194 . 2 1 1 A 108 108 ILE H H 108 8.345 9.061 -0.716 1 1 1195 . 2 1 1 A 108 108 ILE HA H 108 3.775 3.714 0.061 1 1 1205 . 2 1 1 A 108 108 ILE CA C 108 62.916 64.795 -1.879 1 1 1206 . 2 1 1 A 108 108 ILE CB C 108 37.737 37.122 0.615 1 1 1210 . 2 1 1 A 108 108 ILE N N 108 117.576 122.814 -5.238 1 1 1211 . 2 1 1 A 109 109 ASP H H 109 7.753 8.053 -0.300 1 1 1212 . 2 1 1 A 109 109 ASP HA H 109 4.564 4.515 0.049 1 1 1215 . 2 1 1 A 109 109 ASP CA C 109 54.540 56.590 -2.050 1 1 1216 . 2 1 1 A 109 109 ASP CB C 109 41.360 41.241 0.119 1 1 1217 . 2 1 1 A 109 109 ASP N N 109 116.045 120.789 -4.744 1 1 1218 . 2 1 1 A 110 110 ASN H H 110 7.719 8.158 -0.439 1 1 1219 . 2 1 1 A 110 110 ASN HA H 110 4.723 4.977 -0.254 1 1 1224 . 2 1 1 A 110 110 ASN CA C 110 53.036 52.247 0.789 1 1 1225 . 2 1 1 A 110 110 ASN CB C 110 38.443 39.111 -0.668 1 1 1226 . 2 1 1 A 110 110 ASN N N 110 119.075 113.323 5.752 1 1 1228 . 2 1 1 A 111 111 PHE H H 111 7.977 8.443 -0.466 1 1 1229 . 2 1 1 A 111 111 PHE HA H 111 5.249 5.652 -0.403 1 1 1237 . 2 1 1 A 111 111 PHE CA C 111 56.627 55.240 1.387 1 1 1238 . 2 1 1 A 111 111 PHE CB C 111 40.215 41.861 -1.646 1 1 1242 . 2 1 1 A 111 111 PHE N N 111 122.138 119.702 2.436 1 1 1243 . 2 1 1 A 112 112 GLN H H 112 8.715 8.904 -0.189 1 1 1244 . 2 1 1 A 112 112 GLN HA H 112 4.540 4.651 -0.111 1 1 1251 . 2 1 1 A 112 112 GLN CA C 112 54.035 55.220 -1.185 1 1 1252 . 2 1 1 A 112 112 GLN CB C 112 31.861 30.244 1.617 1 1 1254 . 2 1 1 A 112 112 GLN N N 112 119.575 122.315 -2.740 1 1 1256 . 2 1 1 A 113 113 GLU H H 113 8.546 8.868 -0.322 1 1 1257 . 2 1 1 A 113 113 GLU HA H 113 4.780 4.848 -0.068 1 1 1262 . 2 1 1 A 113 113 GLU CA C 113 55.412 56.221 -0.809 1 1 1263 . 2 1 1 A 113 113 GLU CB C 113 29.886 30.357 -0.471 1 1 1265 . 2 1 1 A 113 113 GLU N N 113 122.846 123.664 -0.818 1 1 1266 . 2 1 1 A 114 114 ILE H H 114 8.913 8.601 0.312 1 1 1267 . 2 1 1 A 114 114 ILE HA H 114 4.662 4.635 0.027 1 1 1277 . 2 1 1 A 114 114 ILE CA C 114 59.144 59.597 -0.453 1 1 1278 . 2 1 1 A 114 114 ILE CB C 114 41.873 40.402 1.471 1 1 1282 . 2 1 1 A 114 114 ILE N N 114 120.222 120.308 -0.086 1 1 1283 . 2 1 1 A 115 115 ASN H H 115 8.916 8.759 0.157 1 1 1284 . 2 1 1 A 115 115 ASN HA H 115 4.340 4.181 0.159 1 1 1289 . 2 1 1 A 115 115 ASN CA C 115 53.444 54.086 -0.642 1 1 1290 . 2 1 1 A 115 115 ASN CB C 115 36.467 37.154 -0.687 1 1 1291 . 2 1 1 A 115 115 ASN N N 115 120.916 118.855 2.061 1 1 1293 . 2 1 1 A 116 116 VAL H H 116 8.044 7.829 0.215 1 1 1294 . 2 1 1 A 116 116 VAL HA H 116 4.389 4.539 -0.150 1 1 1302 . 2 1 1 A 116 116 VAL CA C 116 63.183 60.886 2.297 1 1 1303 . 2 1 1 A 116 116 VAL CB C 116 32.216 32.831 -0.615 1 1 1306 . 2 1 1 A 116 116 VAL N N 116 117.046 118.556 -1.510 1 1 1307 . 2 1 1 A 117 117 GLN H H 117 8.582 8.664 -0.082 1 1 1308 . 2 1 1 A 117 117 GLN HA H 117 4.550 4.741 -0.191 1 1 1315 . 2 1 1 A 117 117 GLN CA C 117 53.827 53.947 -0.120 1 1 1316 . 2 1 1 A 117 117 GLN CB C 117 33.119 31.180 1.939 1 1 1318 . 2 1 1 A 117 117 GLN N N 117 127.086 127.054 0.032 1 1 1320 . 2 1 1 A 118 118 ASN H H 118 8.330 8.799 -0.469 1 1 1321 . 2 1 1 A 118 118 ASN HA H 118 5.845 5.913 -0.068 1 1 1326 . 2 1 1 A 118 118 ASN CA C 118 51.736 51.458 0.278 1 1 1327 . 2 1 1 A 118 118 ASN CB C 118 42.644 41.474 1.170 1 1 1328 . 2 1 1 A 118 118 ASN N N 118 113.251 118.047 -4.796 1 1 1330 . 2 1 1 A 119 119 GLN H H 119 9.187 9.333 -0.146 1 1 1331 . 2 1 1 A 119 119 GLN HA H 119 4.693 5.052 -0.359 1 1 1338 . 2 1 1 A 119 119 GLN CA C 119 55.160 54.163 0.997 1 1 1339 . 2 1 1 A 119 119 GLN CB C 119 34.157 32.639 1.518 1 1 1341 . 2 1 1 A 119 119 GLN N N 119 116.799 122.231 -5.432 1 1 1343 . 2 1 1 A 120 120 LEU H H 120 8.544 8.971 -0.427 1 1 1344 . 2 1 1 A 120 120 LEU HA H 120 5.059 5.031 0.028 1 1 1354 . 2 1 1 A 120 120 LEU CA C 120 54.327 53.526 0.801 1 1 1355 . 2 1 1 A 120 120 LEU CB C 120 42.839 42.744 0.095 1 1 1359 . 2 1 1 A 120 120 LEU N N 120 123.292 124.467 -1.175 1 1 1360 . 2 1 1 A 121 121 ILE H H 121 8.657 8.927 -0.270 1 1 1361 . 2 1 1 A 121 121 ILE HA H 121 4.778 4.884 -0.106 1 1 1371 . 2 1 1 A 121 121 ILE CA C 121 58.770 60.047 -1.277 1 1 1372 . 2 1 1 A 121 121 ILE CB C 121 41.582 39.190 2.392 1 1 1376 . 2 1 1 A 121 121 ILE N N 121 116.046 122.532 -6.486 1 1 1377 . 2 1 1 A 122 122 ASN H H 122 8.329 9.099 -0.770 1 1 1378 . 2 1 1 A 122 122 ASN HA H 122 5.068 5.264 -0.196 1 1 1383 . 2 1 1 A 122 122 ASN CA C 122 52.654 51.957 0.697 1 1 1384 . 2 1 1 A 122 122 ASN CB C 122 42.112 40.399 1.713 1 1 1385 . 2 1 1 A 122 122 ASN N N 122 118.416 125.844 -7.428 1 1 1387 . 2 1 1 A 123 123 ALA H H 123 8.547 8.456 0.091 1 1 1388 . 2 1 1 A 123 123 ALA HA H 123 4.597 4.507 0.090 1 1 1392 . 2 1 1 A 123 123 ALA CA C 123 48.537 48.794 -0.257 1 1 1393 . 2 1 1 A 123 123 ALA CB C 123 19.998 20.922 -0.924 1 1 1394 . 2 1 1 A 123 123 ALA N N 123 124.108 126.128 -2.020 1 1 1395 . 2 1 1 A 124 124 PRO HA H 124 4.537 4.490 0.047 1 1 1402 . 2 1 1 A 124 124 PRO CA C 124 60.979 62.506 -1.527 1 1 1403 . 2 1 1 A 124 124 PRO CB C 124 32.285 32.077 0.208 1 1 1406 . 2 1 1 A 125 125 ALA H H 125 8.587 8.240 0.347 1 1 1407 . 2 1 1 A 125 125 ALA HA H 125 3.899 4.329 -0.430 1 1 1411 . 2 1 1 A 125 125 ALA CA C 125 52.692 52.546 0.146 1 1 1412 . 2 1 1 A 125 125 ALA CB C 125 18.631 19.209 -0.578 1 1 1413 . 2 1 1 A 125 125 ALA N N 125 121.333 124.053 -2.720 1 1 1414 . 2 1 1 A 126 126 SER H H 126 8.227 8.899 -0.672 1 1 1415 . 2 1 1 A 126 126 SER HA H 126 4.616 4.551 0.065 1 1 1418 . 2 1 1 A 126 126 SER CA C 126 59.168 56.963 2.205 1 1 1419 . 2 1 1 A 126 126 SER CB C 126 64.636 63.625 1.011 1 1 1420 . 2 1 1 A 126 126 SER N N 126 118.947 116.668 2.279 1 1 1421 . 2 1 1 A 127 127 VAL H H 127 8.595 8.988 -0.393 1 1 1422 . 2 1 1 A 127 127 VAL HA H 127 4.276 4.077 0.199 1 1 1430 . 2 1 1 A 127 127 VAL CA C 127 62.194 63.861 -1.667 1 1 1431 . 2 1 1 A 127 127 VAL CB C 127 32.852 32.491 0.361 1 1 1434 . 2 1 1 A 127 127 VAL N N 127 117.209 128.720 -11.511 1 1 1435 . 2 1 1 A 128 128 LEU H H 128 7.844 7.478 0.366 1 1 1436 . 2 1 1 A 128 128 LEU HA H 128 4.588 4.842 -0.254 1 1 1446 . 2 1 1 A 128 128 LEU CA C 128 53.639 52.981 0.658 1 1 1447 . 2 1 1 A 128 128 LEU CB C 128 44.574 45.238 -0.664 1 1 1451 . 2 1 1 A 128 128 LEU N N 128 121.103 118.335 2.768 1 1 1452 . 2 1 1 A 129 129 ALA H H 129 8.377 8.725 -0.348 1 1 1453 . 2 1 1 A 129 129 ALA HA H 129 4.538 4.852 -0.314 1 1 1457 . 2 1 1 A 129 129 ALA CA C 129 53.476 49.727 3.749 1 1 1458 . 2 1 1 A 129 129 ALA CB C 129 20.982 22.069 -1.087 1 1 1459 . 2 1 1 A 129 129 ALA N N 129 123.679 121.037 2.642 1 1 1460 . 2 1 1 A 130 130 PRO HA H 130 4.669 4.856 -0.187 1 1 1467 . 2 1 1 A 130 130 PRO CA C 130 62.314 62.350 -0.036 1 1 1468 . 2 1 1 A 130 130 PRO CB C 130 33.473 32.491 0.982 1 1 1471 . 2 1 1 A 131 131 SER H H 131 9.365 8.307 1.058 1 1 1472 . 2 1 1 A 131 131 SER HA H 131 4.520 4.551 -0.031 1 1 1475 . 2 1 1 A 131 131 SER CA C 131 59.385 58.603 0.782 1 1 1476 . 2 1 1 A 131 131 SER CB C 131 63.866 61.295 2.571 1 1 1477 . 2 1 1 A 131 131 SER N N 131 122.226 117.237 4.989 1 1 1478 . 2 1 1 A 132 132 ASP H H 132 8.608 8.789 -0.181 1 1 1479 . 2 1 1 A 132 132 ASP HA H 132 5.260 5.244 0.016 1 1 1482 . 2 1 1 A 132 132 ASP CA C 132 53.345 52.769 0.576 1 1 1483 . 2 1 1 A 132 132 ASP CB C 132 41.791 41.761 0.030 1 1 1484 . 2 1 1 A 132 132 ASP N N 132 124.814 127.371 -2.557 1 1 1485 . 2 1 1 A 133 133 VAL H H 133 9.405 9.041 0.364 1 1 1486 . 2 1 1 A 133 133 VAL HA H 133 4.226 4.623 -0.397 1 1 1494 . 2 1 1 A 133 133 VAL CA C 133 61.669 61.715 -0.046 1 1 1495 . 2 1 1 A 133 133 VAL CB C 133 34.448 32.639 1.809 1 1 1498 . 2 1 1 A 133 133 VAL N N 133 127.192 125.571 1.621 1 1 1499 . 2 1 1 A 134 134 ASP H H 134 8.468 8.859 -0.391 1 1 1500 . 2 1 1 A 134 134 ASP HA H 134 5.368 5.641 -0.273 1 1 1503 . 2 1 1 A 134 134 ASP CA C 134 52.326 53.033 -0.707 1 1 1504 . 2 1 1 A 134 134 ASP CB C 134 41.245 42.525 -1.280 1 1 1505 . 2 1 1 A 134 134 ASP N N 134 127.161 127.092 0.069 1 1 1506 . 2 1 1 A 135 135 ILE H H 135 9.406 8.997 0.409 1 1 1507 . 2 1 1 A 135 135 ILE HA H 135 4.636 4.842 -0.206 1 1 1517 . 2 1 1 A 135 135 ILE CA C 135 57.478 57.050 0.428 1 1 1518 . 2 1 1 A 135 135 ILE CB C 135 39.411 41.044 -1.633 1 1 1522 . 2 1 1 A 135 135 ILE N N 135 125.603 117.835 7.768 1 1 1523 . 2 1 1 A 136 136 PRO HA H 136 4.844 4.812 0.032 1 1 1530 . 2 1 1 A 136 136 PRO CA C 136 62.314 62.301 0.013 1 1 1531 . 2 1 1 A 136 136 PRO CB C 136 31.563 31.734 -0.171 1 1 1534 . 2 1 1 A 137 137 LEU H H 137 9.196 8.977 0.219 1 1 1535 . 2 1 1 A 137 137 LEU HA H 137 4.739 4.575 0.164 1 1 1545 . 2 1 1 A 137 137 LEU CA C 137 53.609 54.067 -0.458 1 1 1546 . 2 1 1 A 137 137 LEU CB C 137 45.473 42.200 3.273 1 1 1550 . 2 1 1 A 137 137 LEU N N 137 124.087 124.101 -0.014 1 1 1551 . 2 1 1 A 138 138 GLN H H 138 8.928 8.887 0.041 1 1 1552 . 2 1 1 A 138 138 GLN HA H 138 4.581 4.501 0.080 1 1 1559 . 2 1 1 A 138 138 GLN CA C 138 54.780 54.739 0.041 1 1 1560 . 2 1 1 A 138 138 GLN CB C 138 29.048 28.877 0.171 1 1 1562 . 2 1 1 A 138 138 GLN N N 138 122.528 124.868 -2.340 1 1 1564 . 2 1 1 A 139 139 LEU H H 139 9.039 8.514 0.525 1 1 1565 . 2 1 1 A 139 139 LEU HA H 139 4.205 4.169 0.036 1 1 1575 . 2 1 1 A 139 139 LEU CA C 139 52.367 54.642 -2.275 1 1 1576 . 2 1 1 A 139 139 LEU CB C 139 38.673 41.832 -3.159 1 1 1580 . 2 1 1 A 139 139 LEU N N 139 127.667 126.609 1.058 1 1 1581 . 2 1 1 A 140 140 LYS H H 140 8.078 8.795 -0.717 1 1 1582 . 2 1 1 A 140 140 LYS HA H 140 4.352 4.719 -0.367 1 1 1591 . 2 1 1 A 140 140 LYS CA C 140 56.826 55.139 1.687 1 1 1592 . 2 1 1 A 140 140 LYS CB C 140 32.657 34.495 -1.838 1 1 1596 . 2 1 1 A 140 140 LYS N N 140 124.108 122.248 1.860 1 1 1597 . 2 1 1 A 141 141 GLY H H 141 9.166 8.857 0.309 1 1 1598 . 2 1 1 A 141 141 GLY HA2 H 141 3.788 3.957 -0.169 1 1 1599 . 2 1 1 A 141 141 GLY HA3 H 141 4.119 3.965 0.154 1 1 1600 . 2 1 1 A 141 141 GLY CA C 141 45.682 45.840 -0.158 1 1 1601 . 2 1 1 A 141 141 GLY N N 141 110.698 112.083 -1.385 1 1 1602 . 2 1 1 A 142 142 ILE H H 142 7.112 7.865 -0.753 1 1 1603 . 2 1 1 A 142 142 ILE HA H 142 4.600 4.881 -0.281 1 1 1613 . 2 1 1 A 142 142 ILE CA C 142 58.547 59.471 -0.924 1 1 1614 . 2 1 1 A 142 142 ILE CB C 142 40.437 41.627 -1.190 1 1 1618 . 2 1 1 A 142 142 ILE N N 142 117.928 120.979 -3.051 1 1 1619 . 2 1 1 A 143 143 SER H H 143 8.381 8.813 -0.432 1 1 1620 . 2 1 1 A 143 143 SER HA H 143 4.613 4.940 -0.327 1 1 1623 . 2 1 1 A 143 143 SER CA C 143 56.654 56.733 -0.079 1 1 1624 . 2 1 1 A 143 143 SER CB C 143 65.051 64.897 0.154 1 1 1625 . 2 1 1 A 143 143 SER N N 143 123.373 123.888 -0.515 1 1 1626 . 2 1 1 A 144 144 VAL H H 144 8.702 8.586 0.116 1 1 1627 . 2 1 1 A 144 144 VAL HA H 144 3.593 3.897 -0.304 1 1 1635 . 2 1 1 A 144 144 VAL CA C 144 65.655 65.079 0.576 1 1 1636 . 2 1 1 A 144 144 VAL CB C 144 31.434 31.817 -0.383 1 1 1639 . 2 1 1 A 144 144 VAL N N 144 120.791 126.174 -5.383 1 1 1640 . 2 1 1 A 145 145 ASP H H 145 8.151 7.814 0.337 1 1 1641 . 2 1 1 A 145 145 ASP HA H 145 4.435 4.398 0.037 1 1 1644 . 2 1 1 A 145 145 ASP CA C 145 55.211 57.196 -1.985 1 1 1645 . 2 1 1 A 145 145 ASP CB C 145 40.268 41.060 -0.792 1 1 1646 . 2 1 1 A 145 145 ASP N N 145 115.698 121.204 -5.506 1 1 1647 . 2 1 1 A 146 146 GLN H H 146 7.553 7.696 -0.143 1 1 1648 . 2 1 1 A 146 146 GLN HA H 146 4.302 4.547 -0.245 1 1 1655 . 2 1 1 A 146 146 GLN CA C 146 55.072 54.921 0.151 1 1 1656 . 2 1 1 A 146 146 GLN CB C 146 29.990 28.701 1.289 1 1 1658 . 2 1 1 A 146 146 GLN N N 146 117.118 115.489 1.629 1 1 1660 . 2 1 1 A 147 147 LEU H H 147 7.368 7.639 -0.271 1 1 1661 . 2 1 1 A 147 147 LEU HA H 147 4.119 4.402 -0.283 1 1 1671 . 2 1 1 A 147 147 LEU CA C 147 54.904 54.042 0.862 1 1 1672 . 2 1 1 A 147 147 LEU CB C 147 40.355 42.036 -1.681 1 1 1676 . 2 1 1 A 147 147 LEU N N 147 121.541 122.945 -1.404 1 1 1677 . 2 1 1 A 148 148 GLY H H 148 8.791 8.699 0.092 1 1 1678 . 2 1 1 A 148 148 GLY HA2 H 148 4.512 4.011 0.501 1 1 1679 . 2 1 1 A 148 148 GLY HA3 H 148 3.997 4.077 -0.080 1 1 1680 . 2 1 1 A 148 148 GLY CA C 148 45.610 47.195 -1.585 1 1 1681 . 2 1 1 A 148 148 GLY N N 148 116.322 113.129 3.193 1 1 1682 . 2 1 1 A 149 149 PHE H H 149 7.790 7.957 -0.167 1 1 1683 . 2 1 1 A 149 149 PHE HA H 149 5.215 5.387 -0.172 1 1 1691 . 2 1 1 A 149 149 PHE CA C 149 56.942 55.841 1.101 1 1 1692 . 2 1 1 A 149 149 PHE CB C 149 42.019 43.256 -1.237 1 1 1696 . 2 1 1 A 149 149 PHE N N 149 113.675 113.145 0.530 1 1 1697 . 2 1 1 A 150 150 VAL H H 150 8.549 8.883 -0.334 1 1 1698 . 2 1 1 A 150 150 VAL HA H 150 4.776 4.518 0.258 1 1 1706 . 2 1 1 A 150 150 VAL CA C 150 61.068 61.375 -0.307 1 1 1707 . 2 1 1 A 150 150 VAL CB C 150 34.594 33.940 0.654 1 1 1710 . 2 1 1 A 150 150 VAL N N 150 118.208 120.142 -1.934 1 1 1711 . 2 1 1 A 151 151 ARG H H 151 9.953 9.277 0.676 1 1 1712 . 2 1 1 A 151 151 ARG HA H 151 5.783 5.019 0.764 1 1 1719 . 2 1 1 A 151 151 ARG CA C 151 53.530 55.319 -1.789 1 1 1720 . 2 1 1 A 151 151 ARG CB C 151 33.540 31.548 1.992 1 1 1723 . 2 1 1 A 151 151 ARG N N 151 128.446 128.822 -0.376 1 1 1724 . 2 1 1 A 152 152 ILE H H 152 8.905 8.855 0.050 1 1 1725 . 2 1 1 A 152 152 ILE HA H 152 5.188 5.064 0.124 1 1 1735 . 2 1 1 A 152 152 ILE CA C 152 60.464 60.534 -0.070 1 1 1736 . 2 1 1 A 152 152 ILE CB C 152 39.542 39.275 0.267 1 1 1740 . 2 1 1 A 152 152 ILE N N 152 127.149 128.769 -1.620 1 1 1741 . 2 1 1 A 153 153 HIS H H 153 8.941 8.257 0.684 1 1 1742 . 2 1 1 A 153 153 HIS HA H 153 5.074 4.958 0.116 1 1 1747 . 2 1 1 A 153 153 HIS CA C 153 53.417 54.646 -1.229 1 1 1748 . 2 1 1 A 153 153 HIS CB C 153 31.734 32.228 -0.494 1 1 1751 . 2 1 1 A 153 153 HIS N N 153 119.132 123.332 -4.200 1 1 1752 . 2 1 1 A 154 154 ASP H H 154 9.109 8.867 0.242 1 1 1753 . 2 1 1 A 154 154 ASP HA H 154 4.276 4.148 0.128 1 1 1756 . 2 1 1 A 154 154 ASP CA C 154 55.630 55.264 0.366 1 1 1757 . 2 1 1 A 154 154 ASP CB C 154 39.450 38.965 0.485 1 1 1758 . 2 1 1 A 154 154 ASP N N 154 116.420 116.460 -0.040 1 1 1759 . 2 1 1 A 155 155 ILE H H 155 8.062 8.048 0.014 1 1 1760 . 2 1 1 A 155 155 ILE HA H 155 5.051 4.404 0.647 1 1 1770 . 2 1 1 A 155 155 ILE CA C 155 59.666 61.777 -2.111 1 1 1771 . 2 1 1 A 155 155 ILE CB C 155 35.757 37.090 -1.333 1 1 1775 . 2 1 1 A 155 155 ILE N N 155 119.131 119.367 -0.236 1 1 1776 . 2 1 1 A 156 156 GLN H H 156 9.011 9.049 -0.038 1 1 1777 . 2 1 1 A 156 156 GLN HA H 156 4.993 4.969 0.024 1 1 1784 . 2 1 1 A 156 156 GLN CA C 156 51.975 52.897 -0.922 1 1 1785 . 2 1 1 A 156 156 GLN CB C 156 31.210 31.660 -0.450 1 1 1787 . 2 1 1 A 156 156 GLN N N 156 127.177 123.612 3.565 1 1 1789 . 2 1 1 A 157 157 PRO HA H 157 4.964 4.669 0.295 1 1 1796 . 2 1 1 A 157 157 PRO CA C 157 61.770 62.601 -0.831 1 1 1797 . 2 1 1 A 157 157 PRO CB C 157 31.637 32.298 -0.661 1 1 1800 . 2 1 1 A 158 158 VAL H H 158 7.921 8.183 -0.262 1 1 1801 . 2 1 1 A 158 158 VAL HA H 158 4.107 4.265 -0.158 1 1 1809 . 2 1 1 A 158 158 VAL CA C 158 62.234 61.142 1.092 1 1 1810 . 2 1 1 A 158 158 VAL CB C 158 32.610 32.683 -0.073 1 1 1813 . 2 1 1 A 158 158 VAL N N 158 121.642 119.395 2.247 1 1 1814 . 2 1 1 A 159 159 MET H H 159 8.544 8.752 -0.208 1 1 1815 . 2 1 1 A 159 159 MET HA H 159 4.548 4.121 0.427 1 1 1820 . 2 1 1 A 159 159 MET CA C 159 54.731 57.688 -2.957 1 1 1821 . 2 1 1 A 159 159 MET CB C 159 32.547 30.840 1.707 1 1 1823 . 2 1 1 A 159 159 MET N N 159 124.452 119.102 5.350 1 1 1824 . 2 1 1 A 160 160 GLN H H 160 8.434 7.733 0.701 1 1 1825 . 2 1 1 A 160 160 GLN HA H 160 4.354 4.914 -0.560 1 1 1832 . 2 1 1 A 160 160 GLN CA C 160 55.399 54.415 0.984 1 1 1833 . 2 1 1 A 160 160 GLN CB C 160 29.112 31.128 -2.016 1 1 1835 . 2 1 1 A 160 160 GLN N N 160 121.917 119.929 1.988 1 1 1837 . 2 1 1 A 161 161 LEU H H 161 8.325 8.976 -0.651 1 1 1838 . 2 1 1 A 161 161 LEU HA H 161 4.314 5.310 -0.996 1 1 1848 . 2 1 1 A 161 161 LEU CA C 161 55.040 52.624 2.416 1 1 1849 . 2 1 1 A 161 161 LEU CB C 161 42.225 46.223 -3.998 1 1 1853 . 2 1 1 A 161 161 LEU N N 161 123.826 122.660 1.166 1 1 1854 . 2 1 1 A 162 162 GLU H H 162 8.358 8.693 -0.335 1 1 1855 . 2 1 1 A 162 162 GLU HA H 162 4.216 4.846 -0.630 1 1 1860 . 2 1 1 A 162 162 GLU CA C 162 56.343 54.183 2.160 1 1 1861 . 2 1 1 A 162 162 GLU CB C 162 30.083 33.758 -3.675 1 1 1863 . 2 1 1 A 162 162 GLU N N 162 121.293 118.732 2.561 1 1 1864 . 2 1 1 A 163 163 HIS H H 163 8.376 8.655 -0.279 1 1 1865 . 2 1 1 A 163 163 HIS HA H 163 4.641 4.440 0.201 1 1 1868 . 2 1 1 A 163 163 HIS CA C 163 55.437 56.094 -0.657 1 1 1869 . 2 1 1 A 163 163 HIS CB C 163 29.412 30.177 -0.765 1 1 1870 . 2 1 1 A 163 163 HIS N N 163 121.307 119.346 1.961 1 1 1871 . 2 1 1 A 164 164 HIS H H 164 8.289 8.972 -0.683 1 1 1872 . 2 1 1 A 164 164 HIS N N 164 125.228 122.158 3.070 1 1 1873 . 2 1 1 A 166 166 HIS HA H 166 4.300 4.358 -0.058 1 1 1876 . 2 1 1 A 166 166 HIS CA C 166 55.708 56.142 -0.434 1 1 1877 . 2 1 1 A 166 166 HIS CB C 166 29.207 30.385 -1.178 1 1 1878 . 2 1 1 A 167 167 HIS H H 167 8.591 8.388 0.203 1 1 1879 . 2 1 1 A 167 167 HIS HA H 167 4.541 4.160 0.381 1 1 1882 . 2 1 1 A 167 167 HIS CA C 167 54.678 56.130 -1.452 1 1 1883 . 2 1 1 A 167 167 HIS CB C 167 26.256 27.942 -1.686 1 1 1884 . 2 1 1 A 167 167 HIS N N 167 121.317 115.609 5.708 1 1 1 . 3 1 1 A 2 2 VAL HA H 2 3.850 4.868 -1.018 1 1 9 . 3 1 1 A 2 2 VAL CA C 2 61.400 59.728 1.672 1 1 10 . 3 1 1 A 2 2 VAL CB C 2 32.400 35.489 -3.089 1 1 13 . 3 1 1 A 3 3 GLN HA H 3 4.445 5.283 -0.838 1 1 18 . 3 1 1 A 3 3 GLN CA C 3 55.467 54.178 1.289 1 1 19 . 3 1 1 A 3 3 GLN CB C 3 29.271 31.863 -2.592 1 1 21 . 3 1 1 A 4 4 GLN H H 4 8.703 8.635 0.068 1 1 22 . 3 1 1 A 4 4 GLN HA H 4 4.356 4.763 -0.407 1 1 27 . 3 1 1 A 4 4 GLN CA C 4 55.961 55.826 0.135 1 1 28 . 3 1 1 A 4 4 GLN CB C 4 29.178 33.026 -3.848 1 1 30 . 3 1 1 A 4 4 GLN N N 4 123.281 125.224 -1.943 1 1 31 . 3 1 1 A 5 5 SER H H 5 8.426 8.612 -0.186 1 1 32 . 3 1 1 A 5 5 SER HA H 5 4.424 5.178 -0.754 1 1 35 . 3 1 1 A 5 5 SER CA C 5 58.498 57.316 1.182 1 1 36 . 3 1 1 A 5 5 SER CB C 5 63.534 67.401 -3.867 1 1 37 . 3 1 1 A 5 5 SER N N 5 116.845 119.997 -3.152 1 1 38 . 3 1 1 A 6 6 GLU H H 6 8.434 8.825 -0.391 1 1 39 . 3 1 1 A 6 6 GLU HA H 6 4.342 5.031 -0.689 1 1 44 . 3 1 1 A 6 6 GLU CA C 6 56.410 53.981 2.429 1 1 45 . 3 1 1 A 6 6 GLU CB C 6 29.873 33.270 -3.397 1 1 47 . 3 1 1 A 6 6 GLU N N 6 122.965 118.687 4.278 1 1 48 . 3 1 1 A 7 7 VAL H H 7 8.131 8.462 -0.331 1 1 49 . 3 1 1 A 7 7 VAL HA H 7 4.063 4.431 -0.368 1 1 57 . 3 1 1 A 7 7 VAL CA C 7 62.213 61.096 1.117 1 1 58 . 3 1 1 A 7 7 VAL CB C 7 32.391 32.895 -0.504 1 1 61 . 3 1 1 A 7 7 VAL N N 7 121.508 118.268 3.240 1 1 62 . 3 1 1 A 8 8 ARG H H 8 8.376 8.702 -0.326 1 1 63 . 3 1 1 A 8 8 ARG HA H 8 4.335 4.995 -0.660 1 1 70 . 3 1 1 A 8 8 ARG CA C 8 56.013 54.050 1.963 1 1 71 . 3 1 1 A 8 8 ARG CB C 8 30.528 32.320 -1.792 1 1 74 . 3 1 1 A 8 8 ARG N N 8 124.504 121.676 2.828 1 1 75 . 3 1 1 A 9 9 GLN H H 9 8.360 8.746 -0.386 1 1 76 . 3 1 1 A 9 9 GLN HA H 9 4.353 4.950 -0.597 1 1 81 . 3 1 1 A 9 9 GLN CA C 9 55.446 55.365 0.081 1 1 82 . 3 1 1 A 9 9 GLN CB C 9 29.236 30.597 -1.361 1 1 84 . 3 1 1 A 9 9 GLN N N 9 121.537 123.362 -1.825 1 1 85 . 3 1 1 A 10 10 MET H H 10 8.391 8.880 -0.489 1 1 86 . 3 1 1 A 10 10 MET HA H 10 4.459 5.306 -0.847 1 1 91 . 3 1 1 A 10 10 MET CA C 10 55.062 54.196 0.866 1 1 92 . 3 1 1 A 10 10 MET CB C 10 32.482 36.968 -4.486 1 1 94 . 3 1 1 A 10 10 MET N N 10 122.199 120.994 1.205 1 1 95 . 3 1 1 A 11 11 LYS H H 11 8.317 8.745 -0.428 1 1 96 . 3 1 1 A 11 11 LYS HA H 11 4.296 5.193 -0.897 1 1 105 . 3 1 1 A 11 11 LYS CA C 11 56.114 54.783 1.331 1 1 106 . 3 1 1 A 11 11 LYS CB C 11 32.372 36.031 -3.659 1 1 110 . 3 1 1 A 11 11 LYS N N 11 122.440 119.724 2.716 1 1 111 . 3 1 1 A 12 12 HIS H H 12 8.489 8.823 -0.334 1 1 112 . 3 1 1 A 12 12 HIS HA H 12 4.748 5.052 -0.304 1 1 116 . 3 1 1 A 12 12 HIS CA C 12 55.052 54.657 0.395 1 1 117 . 3 1 1 A 12 12 HIS CB C 12 29.094 33.478 -4.384 1 1 119 . 3 1 1 A 12 12 HIS N N 12 119.934 120.892 -0.958 1 1 120 . 3 1 1 A 13 13 SER H H 13 8.401 8.844 -0.443 1 1 121 . 3 1 1 A 13 13 SER HA H 13 4.518 5.191 -0.673 1 1 124 . 3 1 1 A 13 13 SER CA C 13 57.855 57.757 0.098 1 1 125 . 3 1 1 A 13 13 SER CB C 13 63.750 65.199 -1.449 1 1 126 . 3 1 1 A 13 13 SER N N 13 117.596 119.588 -1.992 1 1 127 . 3 1 1 A 14 14 VAL H H 14 8.285 9.164 -0.879 1 1 128 . 3 1 1 A 14 14 VAL HA H 14 4.239 4.498 -0.259 1 1 136 . 3 1 1 A 14 14 VAL CA C 14 62.078 61.217 0.861 1 1 137 . 3 1 1 A 14 14 VAL CB C 14 32.564 34.171 -1.607 1 1 140 . 3 1 1 A 14 14 VAL N N 14 121.378 127.641 -6.263 1 1 141 . 3 1 1 A 15 15 SER H H 15 8.419 8.925 -0.506 1 1 142 . 3 1 1 A 15 15 SER HA H 15 4.556 4.927 -0.371 1 1 145 . 3 1 1 A 15 15 SER CA C 15 57.855 58.105 -0.250 1 1 146 . 3 1 1 A 15 15 SER CB C 15 63.600 63.606 -0.006 1 1 147 . 3 1 1 A 15 15 SER N N 15 119.022 124.399 -5.377 1 1 148 . 3 1 1 A 16 16 THR H H 16 8.189 8.635 -0.446 1 1 149 . 3 1 1 A 16 16 THR HA H 16 4.362 4.707 -0.345 1 1 154 . 3 1 1 A 16 16 THR CA C 16 61.510 60.918 0.592 1 1 155 . 3 1 1 A 16 16 THR CB C 16 69.292 70.017 -0.725 1 1 157 . 3 1 1 A 16 16 THR N N 16 116.040 116.143 -0.103 1 1 158 . 3 1 1 A 17 17 LEU H H 17 8.168 8.651 -0.483 1 1 159 . 3 1 1 A 17 17 LEU HA H 17 4.331 4.489 -0.158 1 1 169 . 3 1 1 A 17 17 LEU CA C 17 55.446 54.297 1.149 1 1 170 . 3 1 1 A 17 17 LEU CB C 17 42.032 42.404 -0.372 1 1 174 . 3 1 1 A 17 17 LEU N N 17 123.796 121.030 2.766 1 1 175 . 3 1 1 A 18 18 ASN H H 18 8.406 8.609 -0.203 1 1 176 . 3 1 1 A 18 18 ASN HA H 18 4.685 4.815 -0.130 1 1 181 . 3 1 1 A 18 18 ASN CA C 18 53.276 52.839 0.437 1 1 182 . 3 1 1 A 18 18 ASN CB C 18 38.462 37.357 1.105 1 1 183 . 3 1 1 A 18 18 ASN N N 18 119.197 119.525 -0.328 1 1 185 . 3 1 1 A 19 19 GLN H H 19 8.346 8.448 -0.102 1 1 186 . 3 1 1 A 19 19 GLN HA H 19 4.319 4.677 -0.358 1 1 193 . 3 1 1 A 19 19 GLN CA C 19 56.075 54.865 1.210 1 1 194 . 3 1 1 A 19 19 GLN CB C 19 29.077 29.803 -0.726 1 1 196 . 3 1 1 A 19 19 GLN N N 19 120.620 123.070 -2.450 1 1 198 . 3 1 1 A 20 20 GLU H H 20 8.474 8.557 -0.083 1 1 199 . 3 1 1 A 20 20 GLU HA H 20 4.269 4.468 -0.199 1 1 204 . 3 1 1 A 20 20 GLU CA C 20 56.932 56.230 0.702 1 1 205 . 3 1 1 A 20 20 GLU CB C 20 29.694 29.339 0.355 1 1 207 . 3 1 1 A 20 20 GLU N N 20 121.410 122.318 -0.908 1 1 208 . 3 1 1 A 21 21 MET H H 21 8.366 8.058 0.308 1 1 209 . 3 1 1 A 21 21 MET HA H 21 4.538 4.779 -0.241 1 1 214 . 3 1 1 A 21 21 MET CA C 21 55.812 54.376 1.436 1 1 215 . 3 1 1 A 21 21 MET CB C 21 32.188 34.506 -2.318 1 1 217 . 3 1 1 A 21 21 MET N N 21 120.618 125.765 -5.147 1 1 218 . 3 1 1 A 22 22 THR H H 22 8.127 8.536 -0.409 1 1 219 . 3 1 1 A 22 22 THR HA H 22 4.299 4.058 0.241 1 1 224 . 3 1 1 A 22 22 THR CA C 22 62.287 65.508 -3.221 1 1 225 . 3 1 1 A 22 22 THR CB C 22 69.174 68.732 0.442 1 1 227 . 3 1 1 A 22 22 THR N N 22 114.858 114.717 0.141 1 1 228 . 3 1 1 A 23 23 GLN H H 23 8.342 7.587 0.755 1 1 229 . 3 1 1 A 23 23 GLN HA H 23 4.339 4.773 -0.434 1 1 236 . 3 1 1 A 23 23 GLN CA C 23 56.148 54.634 1.514 1 1 237 . 3 1 1 A 23 23 GLN CB C 23 29.112 30.935 -1.823 1 1 239 . 3 1 1 A 23 23 GLN N N 23 122.047 118.754 3.293 1 1 241 . 3 1 1 A 24 24 LEU H H 24 8.174 8.366 -0.192 1 1 242 . 3 1 1 A 24 24 LEU HA H 24 4.334 4.384 -0.050 1 1 252 . 3 1 1 A 24 24 LEU CA C 24 55.519 55.389 0.130 1 1 253 . 3 1 1 A 24 24 LEU CB C 24 42.146 43.263 -1.117 1 1 257 . 3 1 1 A 24 24 LEU N N 24 122.328 124.523 -2.195 1 1 258 . 3 1 1 A 25 25 ASN H H 25 8.384 8.636 -0.252 1 1 259 . 3 1 1 A 25 25 ASN HA H 25 4.692 4.675 0.017 1 1 264 . 3 1 1 A 25 25 ASN CA C 25 53.481 53.763 -0.282 1 1 265 . 3 1 1 A 25 25 ASN CB C 25 38.445 38.903 -0.458 1 1 266 . 3 1 1 A 25 25 ASN N N 25 119.262 124.401 -5.139 1 1 268 . 3 1 1 A 26 26 GLN H H 26 8.453 8.652 -0.199 1 1 269 . 3 1 1 A 26 26 GLN HA H 26 4.215 4.008 0.207 1 1 276 . 3 1 1 A 26 26 GLN CA C 26 57.037 59.197 -2.160 1 1 277 . 3 1 1 A 26 26 GLN CB C 26 28.996 28.152 0.844 1 1 279 . 3 1 1 A 26 26 GLN N N 26 120.394 122.604 -2.210 1 1 281 . 3 1 1 A 27 27 GLU H H 27 8.501 8.362 0.139 1 1 282 . 3 1 1 A 27 27 GLU HA H 27 4.202 4.087 0.115 1 1 287 . 3 1 1 A 27 27 GLU CA C 27 58.573 59.379 -0.806 1 1 288 . 3 1 1 A 27 27 GLU CB C 27 29.349 29.674 -0.325 1 1 290 . 3 1 1 A 27 27 GLU N N 27 121.130 119.635 1.495 1 1 291 . 3 1 1 A 28 28 THR H H 28 8.032 7.807 0.225 1 1 292 . 3 1 1 A 28 28 THR HA H 28 4.079 4.025 0.054 1 1 297 . 3 1 1 A 28 28 THR CA C 28 64.762 66.508 -1.746 1 1 298 . 3 1 1 A 28 28 THR CB C 28 68.354 68.275 0.079 1 1 300 . 3 1 1 A 28 28 THR N N 28 114.032 116.913 -2.881 1 1 301 . 3 1 1 A 29 29 VAL H H 29 7.969 8.050 -0.081 1 1 302 . 3 1 1 A 29 29 VAL HA H 29 3.812 3.573 0.239 1 1 310 . 3 1 1 A 29 29 VAL CA C 29 65.572 67.517 -1.945 1 1 311 . 3 1 1 A 29 29 VAL CB C 29 31.624 31.369 0.255 1 1 314 . 3 1 1 A 29 29 VAL N N 29 122.215 121.838 0.377 1 1 315 . 3 1 1 A 30 30 LYS H H 30 7.910 7.748 0.162 1 1 316 . 3 1 1 A 30 30 LYS HA H 30 4.175 3.961 0.214 1 1 325 . 3 1 1 A 30 30 LYS CA C 30 57.780 59.807 -2.027 1 1 326 . 3 1 1 A 30 30 LYS CB C 30 31.537 32.647 -1.110 1 1 330 . 3 1 1 A 30 30 LYS N N 30 119.387 118.806 0.581 1 1 331 . 3 1 1 A 31 31 ILE H H 31 8.277 7.903 0.374 1 1 332 . 3 1 1 A 31 31 ILE HA H 31 3.602 3.573 0.029 1 1 342 . 3 1 1 A 31 31 ILE CA C 31 65.712 65.813 -0.101 1 1 343 . 3 1 1 A 31 31 ILE CB C 31 38.559 38.152 0.407 1 1 347 . 3 1 1 A 31 31 ILE N N 31 121.053 121.237 -0.184 1 1 348 . 3 1 1 A 32 32 THR H H 32 7.896 8.257 -0.361 1 1 349 . 3 1 1 A 32 32 THR HA H 32 4.004 3.816 0.188 1 1 354 . 3 1 1 A 32 32 THR CA C 32 65.922 66.902 -0.980 1 1 355 . 3 1 1 A 32 32 THR CB C 32 68.400 68.321 0.079 1 1 357 . 3 1 1 A 32 32 THR N N 32 115.554 116.698 -1.144 1 1 358 . 3 1 1 A 33 33 GLN H H 33 8.279 8.283 -0.004 1 1 359 . 3 1 1 A 33 33 GLN HA H 33 3.887 3.883 0.004 1 1 366 . 3 1 1 A 33 33 GLN CA C 33 59.052 59.124 -0.072 1 1 367 . 3 1 1 A 33 33 GLN CB C 33 27.889 28.301 -0.412 1 1 369 . 3 1 1 A 33 33 GLN N N 33 120.920 122.128 -1.208 1 1 371 . 3 1 1 A 34 34 GLN H H 34 8.671 8.105 0.566 1 1 372 . 3 1 1 A 34 34 GLN HA H 34 3.615 3.994 -0.379 1 1 379 . 3 1 1 A 34 34 GLN CA C 34 60.424 59.024 1.400 1 1 380 . 3 1 1 A 34 34 GLN CB C 34 30.058 28.375 1.683 1 1 382 . 3 1 1 A 34 34 GLN N N 34 120.388 118.961 1.427 1 1 384 . 3 1 1 A 35 35 ASN H H 35 8.636 8.061 0.575 1 1 385 . 3 1 1 A 35 35 ASN HA H 35 4.595 4.474 0.121 1 1 390 . 3 1 1 A 35 35 ASN CA C 35 55.363 56.183 -0.820 1 1 391 . 3 1 1 A 35 35 ASN CB C 35 36.904 37.481 -0.577 1 1 392 . 3 1 1 A 35 35 ASN N N 35 116.477 118.334 -1.857 1 1 394 . 3 1 1 A 36 36 ARG H H 36 8.321 7.656 0.665 1 1 395 . 3 1 1 A 36 36 ARG HA H 36 4.142 4.068 0.074 1 1 402 . 3 1 1 A 36 36 ARG CA C 36 58.582 59.039 -0.457 1 1 403 . 3 1 1 A 36 36 ARG CB C 36 29.712 29.911 -0.199 1 1 406 . 3 1 1 A 36 36 ARG N N 36 121.347 120.054 1.293 1 1 407 . 3 1 1 A 37 37 LEU H H 37 8.251 8.353 -0.102 1 1 408 . 3 1 1 A 37 37 LEU HA H 37 3.788 3.613 0.175 1 1 418 . 3 1 1 A 37 37 LEU CA C 37 57.094 57.644 -0.550 1 1 419 . 3 1 1 A 37 37 LEU CB C 37 40.554 40.352 0.202 1 1 423 . 3 1 1 A 37 37 LEU N N 37 120.862 119.571 1.291 1 1 424 . 3 1 1 A 38 38 ASN H H 38 8.047 8.469 -0.422 1 1 425 . 3 1 1 A 38 38 ASN HA H 38 5.134 4.543 0.591 1 1 430 . 3 1 1 A 38 38 ASN CA C 38 54.413 57.003 -2.590 1 1 431 . 3 1 1 A 38 38 ASN CB C 38 38.069 39.094 -1.025 1 1 432 . 3 1 1 A 38 38 ASN N N 38 115.574 118.615 -3.041 1 1 434 . 3 1 1 A 39 39 ALA H H 39 7.878 7.930 -0.052 1 1 435 . 3 1 1 A 39 39 ALA HA H 39 4.342 4.066 0.276 1 1 439 . 3 1 1 A 39 39 ALA CA C 39 53.981 54.802 -0.821 1 1 440 . 3 1 1 A 39 39 ALA CB C 39 18.340 18.236 0.104 1 1 441 . 3 1 1 A 39 39 ALA N N 39 123.076 120.743 2.333 1 1 442 . 3 1 1 A 40 40 LYS H H 40 7.431 7.541 -0.110 1 1 443 . 3 1 1 A 40 40 LYS HA H 40 4.528 4.294 0.234 1 1 452 . 3 1 1 A 40 40 LYS CA C 40 55.285 56.704 -1.419 1 1 453 . 3 1 1 A 40 40 LYS CB C 40 32.852 32.606 0.246 1 1 457 . 3 1 1 A 40 40 LYS N N 40 114.889 115.633 -0.744 1 1 458 . 3 1 1 A 41 41 SER H H 41 7.671 7.157 0.514 1 1 459 . 3 1 1 A 41 41 SER HA H 41 4.615 4.507 0.108 1 1 462 . 3 1 1 A 41 41 SER CA C 41 58.189 58.592 -0.403 1 1 463 . 3 1 1 A 41 41 SER CB C 41 63.924 64.435 -0.511 1 1 464 . 3 1 1 A 41 41 SER N N 41 114.795 116.872 -2.077 1 1 465 . 3 1 1 A 42 42 SER H H 42 8.927 8.975 -0.048 1 1 466 . 3 1 1 A 42 42 SER HA H 42 4.792 4.427 0.365 1 1 469 . 3 1 1 A 42 42 SER CA C 42 58.133 60.684 -2.551 1 1 470 . 3 1 1 A 42 42 SER CB C 42 63.712 63.662 0.050 1 1 471 . 3 1 1 A 42 42 SER N N 42 120.934 123.846 -2.912 1 1 472 . 3 1 1 A 43 43 SER H H 43 8.320 7.874 0.446 1 1 473 . 3 1 1 A 43 43 SER HA H 43 4.654 4.923 -0.269 1 1 476 . 3 1 1 A 43 43 SER CA C 43 57.309 57.820 -0.511 1 1 477 . 3 1 1 A 43 43 SER CB C 43 63.151 66.038 -2.887 1 1 478 . 3 1 1 A 43 43 SER N N 43 115.966 113.700 2.266 1 1 479 . 3 1 1 A 44 44 GLY H H 44 8.182 8.494 -0.312 1 1 480 . 3 1 1 A 44 44 GLY HA2 H 44 4.206 4.111 0.095 1 1 481 . 3 1 1 A 44 44 GLY HA3 H 44 4.399 4.116 0.283 1 1 482 . 3 1 1 A 44 44 GLY CA C 44 44.540 44.769 -0.229 1 1 483 . 3 1 1 A 44 44 GLY N N 44 110.764 112.647 -1.883 1 1 484 . 3 1 1 A 45 45 VAL H H 45 8.341 8.112 0.229 1 1 485 . 3 1 1 A 45 45 VAL HA H 45 4.845 5.156 -0.311 1 1 493 . 3 1 1 A 45 45 VAL CA C 45 58.981 59.521 -0.540 1 1 494 . 3 1 1 A 45 45 VAL CB C 45 35.239 35.950 -0.711 1 1 497 . 3 1 1 A 45 45 VAL N N 45 114.116 117.269 -3.153 1 1 498 . 3 1 1 A 46 46 TYR H H 46 10.501 9.019 1.482 1 1 499 . 3 1 1 A 46 46 TYR HA H 46 5.004 5.187 -0.183 1 1 506 . 3 1 1 A 46 46 TYR CA C 46 58.121 57.056 1.065 1 1 507 . 3 1 1 A 46 46 TYR CB C 46 41.382 39.966 1.416 1 1 510 . 3 1 1 A 46 46 TYR N N 46 123.384 122.783 0.601 1 1 511 . 3 1 1 A 47 47 LEU H H 47 9.364 9.380 -0.016 1 1 512 . 3 1 1 A 47 47 LEU HA H 47 4.695 5.241 -0.546 1 1 522 . 3 1 1 A 47 47 LEU CA C 47 52.769 53.561 -0.792 1 1 523 . 3 1 1 A 47 47 LEU CB C 47 44.689 45.280 -0.591 1 1 527 . 3 1 1 A 47 47 LEU N N 47 118.822 124.630 -5.808 1 1 528 . 3 1 1 A 48 48 LEU H H 48 9.128 9.130 -0.002 1 1 529 . 3 1 1 A 48 48 LEU HA H 48 5.232 4.852 0.380 1 1 539 . 3 1 1 A 48 48 LEU CA C 48 51.100 51.191 -0.091 1 1 540 . 3 1 1 A 48 48 LEU CB C 48 40.141 44.667 -4.526 1 1 544 . 3 1 1 A 48 48 LEU N N 48 123.384 123.632 -0.248 1 1 545 . 3 1 1 A 49 49 PRO HA H 49 4.090 4.396 -0.306 1 1 552 . 3 1 1 A 49 49 PRO CA C 49 64.912 64.048 0.864 1 1 553 . 3 1 1 A 49 49 PRO CB C 49 31.607 31.995 -0.388 1 1 556 . 3 1 1 A 50 50 GLY H H 50 9.181 8.400 0.781 1 1 557 . 3 1 1 A 50 50 GLY HA2 H 50 3.933 3.984 -0.051 1 1 558 . 3 1 1 A 50 50 GLY HA3 H 50 4.757 3.988 0.769 1 1 559 . 3 1 1 A 50 50 GLY CA C 50 45.499 44.956 0.543 1 1 560 . 3 1 1 A 50 50 GLY N N 50 106.827 106.702 0.125 1 1 561 . 3 1 1 A 51 51 ALA H H 51 7.857 7.810 0.047 1 1 562 . 3 1 1 A 51 51 ALA HA H 51 4.264 4.495 -0.231 1 1 566 . 3 1 1 A 51 51 ALA CA C 51 53.156 50.893 2.263 1 1 567 . 3 1 1 A 51 51 ALA CB C 51 18.492 19.857 -1.365 1 1 568 . 3 1 1 A 51 51 ALA N N 51 120.192 123.013 -2.821 1 1 569 . 3 1 1 A 52 52 LYS H H 52 7.787 8.857 -1.070 1 1 570 . 3 1 1 A 52 52 LYS HA H 52 4.094 4.343 -0.249 1 1 579 . 3 1 1 A 52 52 LYS CA C 52 56.979 55.446 1.533 1 1 580 . 3 1 1 A 52 52 LYS CB C 52 30.731 30.852 -0.121 1 1 584 . 3 1 1 A 52 52 LYS N N 52 115.260 125.408 -10.148 1 1 585 . 3 1 1 A 53 53 THR H H 53 8.043 8.050 -0.007 1 1 586 . 3 1 1 A 53 53 THR HA H 53 4.924 5.077 -0.153 1 1 591 . 3 1 1 A 53 53 THR CA C 53 59.565 58.562 1.003 1 1 592 . 3 1 1 A 53 53 THR CB C 53 72.729 70.706 2.023 1 1 594 . 3 1 1 A 53 53 THR N N 53 114.085 112.163 1.922 1 1 595 . 3 1 1 A 54 54 PRO HA H 54 4.860 4.785 0.075 1 1 602 . 3 1 1 A 54 54 PRO CA C 54 62.176 62.314 -0.138 1 1 603 . 3 1 1 A 54 54 PRO CB C 54 32.820 32.983 -0.163 1 1 606 . 3 1 1 A 55 55 ALA H H 55 8.834 8.438 0.396 1 1 607 . 3 1 1 A 55 55 ALA HA H 55 4.824 4.952 -0.128 1 1 611 . 3 1 1 A 55 55 ALA CA C 55 50.500 50.806 -0.306 1 1 612 . 3 1 1 A 55 55 ALA CB C 55 22.858 24.014 -1.156 1 1 613 . 3 1 1 A 55 55 ALA N N 55 122.227 120.403 1.824 1 1 614 . 3 1 1 A 56 56 ARG H H 56 8.445 8.695 -0.250 1 1 615 . 3 1 1 A 56 56 ARG HA H 56 5.262 5.117 0.145 1 1 623 . 3 1 1 A 56 56 ARG CA C 56 54.401 54.650 -0.249 1 1 624 . 3 1 1 A 56 56 ARG CB C 56 32.849 33.033 -0.184 1 1 627 . 3 1 1 A 56 56 ARG N N 56 121.194 121.283 -0.089 1 1 629 . 3 1 1 A 57 57 LEU H H 57 9.159 9.247 -0.088 1 1 630 . 3 1 1 A 57 57 LEU HA H 57 4.672 5.169 -0.497 1 1 640 . 3 1 1 A 57 57 LEU CA C 57 53.028 53.433 -0.405 1 1 641 . 3 1 1 A 57 57 LEU CB C 57 46.231 46.005 0.226 1 1 645 . 3 1 1 A 57 57 LEU N N 57 125.694 128.593 -2.899 1 1 646 . 3 1 1 A 58 58 GLU H H 58 8.890 8.924 -0.034 1 1 647 . 3 1 1 A 58 58 GLU HA H 58 4.535 4.738 -0.203 1 1 652 . 3 1 1 A 58 58 GLU CA C 58 55.733 55.852 -0.119 1 1 653 . 3 1 1 A 58 58 GLU CB C 58 27.970 30.497 -2.527 1 1 655 . 3 1 1 A 58 58 GLU N N 58 127.677 128.391 -0.714 1 1 656 . 3 1 1 A 59 59 SER H H 59 7.772 8.790 -1.018 1 1 657 . 3 1 1 A 59 59 SER HA H 59 4.970 4.986 -0.016 1 1 661 . 3 1 1 A 59 59 SER CA C 59 57.576 55.992 1.584 1 1 662 . 3 1 1 A 59 59 SER CB C 59 69.174 66.079 3.095 1 1 663 . 3 1 1 A 59 59 SER N N 59 121.860 121.129 0.731 1 1 664 . 3 1 1 A 60 60 GLN H H 60 9.336 8.211 1.125 1 1 665 . 3 1 1 A 60 60 GLN HA H 60 4.262 4.084 0.178 1 1 672 . 3 1 1 A 60 60 GLN CA C 60 57.792 58.474 -0.682 1 1 673 . 3 1 1 A 60 60 GLN CB C 60 29.669 28.204 1.465 1 1 675 . 3 1 1 A 60 60 GLN N N 60 119.522 118.227 1.295 1 1 677 . 3 1 1 A 61 61 ILE H H 61 8.007 7.325 0.682 1 1 678 . 3 1 1 A 61 61 ILE HA H 61 4.623 4.164 0.459 1 1 688 . 3 1 1 A 61 61 ILE CA C 61 59.813 60.722 -0.909 1 1 689 . 3 1 1 A 61 61 ILE CB C 61 37.013 38.167 -1.154 1 1 693 . 3 1 1 A 61 61 ILE N N 61 109.398 111.662 -2.264 1 1 694 . 3 1 1 A 62 62 GLY H H 62 7.223 7.019 0.204 1 1 695 . 3 1 1 A 62 62 GLY HA2 H 62 4.493 4.006 0.487 1 1 696 . 3 1 1 A 62 62 GLY HA3 H 62 3.872 4.020 -0.148 1 1 697 . 3 1 1 A 62 62 GLY CA C 62 43.022 43.804 -0.782 1 1 698 . 3 1 1 A 62 62 GLY N N 62 109.035 110.023 -0.988 1 1 699 . 3 1 1 A 63 63 THR H H 63 8.910 8.479 0.431 1 1 700 . 3 1 1 A 63 63 THR HA H 63 4.599 4.804 -0.205 1 1 705 . 3 1 1 A 63 63 THR CA C 63 64.037 63.296 0.741 1 1 706 . 3 1 1 A 63 63 THR CB C 63 68.111 69.650 -1.539 1 1 708 . 3 1 1 A 63 63 THR N N 63 119.711 116.416 3.295 1 1 709 . 3 1 1 A 64 64 LEU H H 64 9.070 9.089 -0.019 1 1 710 . 3 1 1 A 64 64 LEU HA H 64 5.120 5.108 0.012 1 1 720 . 3 1 1 A 64 64 LEU CA C 64 52.680 53.214 -0.534 1 1 721 . 3 1 1 A 64 64 LEU CB C 64 44.749 46.124 -1.375 1 1 725 . 3 1 1 A 64 64 LEU N N 64 127.640 122.657 4.983 1 1 726 . 3 1 1 A 65 65 ARG H H 65 9.271 9.003 0.268 1 1 727 . 3 1 1 A 65 65 ARG HA H 65 4.989 5.442 -0.453 1 1 735 . 3 1 1 A 65 65 ARG CA C 65 54.814 54.474 0.340 1 1 736 . 3 1 1 A 65 65 ARG CB C 65 31.836 33.476 -1.640 1 1 739 . 3 1 1 A 65 65 ARG N N 65 122.680 119.749 2.931 1 1 741 . 3 1 1 A 66 66 MET H H 66 9.310 9.251 0.059 1 1 742 . 3 1 1 A 66 66 MET HA H 66 5.822 6.139 -0.317 1 1 747 . 3 1 1 A 66 66 MET CA C 66 53.936 53.945 -0.009 1 1 748 . 3 1 1 A 66 66 MET CB C 66 35.912 36.720 -0.808 1 1 750 . 3 1 1 A 66 66 MET N N 66 125.309 125.358 -0.049 1 1 751 . 3 1 1 A 67 67 SER H H 67 8.943 8.736 0.207 1 1 752 . 3 1 1 A 67 67 SER HA H 67 4.660 4.875 -0.215 1 1 755 . 3 1 1 A 67 67 SER CA C 67 57.460 56.704 0.756 1 1 756 . 3 1 1 A 67 67 SER CB C 67 65.747 64.688 1.059 1 1 757 . 3 1 1 A 67 67 SER N N 67 112.115 115.763 -3.648 1 1 758 . 3 1 1 A 68 68 LEU H H 68 8.410 8.667 -0.257 1 1 759 . 3 1 1 A 68 68 LEU HA H 68 5.115 4.886 0.229 1 1 769 . 3 1 1 A 68 68 LEU CA C 68 52.837 53.725 -0.888 1 1 770 . 3 1 1 A 68 68 LEU CB C 68 42.269 43.318 -1.049 1 1 774 . 3 1 1 A 68 68 LEU N N 68 118.367 123.309 -4.942 1 1 775 . 3 1 1 A 69 69 VAL H H 69 9.060 8.559 0.501 1 1 776 . 3 1 1 A 69 69 VAL HA H 69 4.440 4.555 -0.115 1 1 784 . 3 1 1 A 69 69 VAL CA C 69 59.852 59.940 -0.088 1 1 785 . 3 1 1 A 69 69 VAL CB C 69 35.349 34.379 0.970 1 1 788 . 3 1 1 A 69 69 VAL N N 69 119.888 120.299 -0.411 1 1 789 . 3 1 1 A 70 70 ASN H H 70 8.651 8.775 -0.124 1 1 790 . 3 1 1 A 70 70 ASN HA H 70 4.345 4.277 0.068 1 1 795 . 3 1 1 A 70 70 ASN CA C 70 53.555 54.129 -0.574 1 1 796 . 3 1 1 A 70 70 ASN CB C 70 36.932 36.768 0.164 1 1 797 . 3 1 1 A 70 70 ASN N N 70 119.166 117.559 1.607 1 1 799 . 3 1 1 A 71 71 ILE H H 71 8.449 8.016 0.433 1 1 800 . 3 1 1 A 71 71 ILE HA H 71 4.235 4.093 0.142 1 1 810 . 3 1 1 A 71 71 ILE CA C 71 63.104 61.612 1.492 1 1 811 . 3 1 1 A 71 71 ILE CB C 71 37.200 36.915 0.285 1 1 815 . 3 1 1 A 71 71 ILE N N 71 121.388 119.613 1.775 1 1 816 . 3 1 1 A 72 72 THR H H 72 9.511 8.677 0.834 1 1 817 . 3 1 1 A 72 72 THR HA H 72 4.967 5.116 -0.149 1 1 822 . 3 1 1 A 72 72 THR CA C 72 59.584 58.437 1.147 1 1 823 . 3 1 1 A 72 72 THR CB C 72 71.930 70.514 1.416 1 1 825 . 3 1 1 A 72 72 THR N N 72 125.726 117.440 8.286 1 1 826 . 3 1 1 A 73 73 PRO HA H 73 4.822 4.571 0.251 1 1 833 . 3 1 1 A 73 73 PRO CA C 73 63.362 62.705 0.657 1 1 834 . 3 1 1 A 73 73 PRO CB C 73 32.451 32.995 -0.544 1 1 837 . 3 1 1 A 74 74 ASP H H 74 8.404 8.991 -0.587 1 1 838 . 3 1 1 A 74 74 ASP HA H 74 4.824 5.081 -0.257 1 1 841 . 3 1 1 A 74 74 ASP CA C 74 52.609 52.793 -0.184 1 1 842 . 3 1 1 A 74 74 ASP CB C 74 43.743 44.414 -0.671 1 1 843 . 3 1 1 A 74 74 ASP N N 74 122.325 121.115 1.210 1 1 844 . 3 1 1 A 75 75 ALA H H 75 8.539 8.771 -0.232 1 1 845 . 3 1 1 A 75 75 ALA HA H 75 4.062 4.058 0.004 1 1 849 . 3 1 1 A 75 75 ALA CA C 75 54.431 55.373 -0.942 1 1 850 . 3 1 1 A 75 75 ALA CB C 75 18.117 18.123 -0.006 1 1 851 . 3 1 1 A 75 75 ALA N N 75 123.501 125.643 -2.142 1 1 852 . 3 1 1 A 76 76 ASP H H 76 8.356 8.157 0.199 1 1 853 . 3 1 1 A 76 76 ASP HA H 76 4.815 4.512 0.303 1 1 856 . 3 1 1 A 76 76 ASP CA C 76 53.161 55.926 -2.765 1 1 857 . 3 1 1 A 76 76 ASP CB C 76 41.234 41.728 -0.494 1 1 858 . 3 1 1 A 76 76 ASP N N 76 115.326 117.131 -1.805 1 1 859 . 3 1 1 A 77 77 GLY H H 77 7.569 7.488 0.081 1 1 860 . 3 1 1 A 77 77 GLY HA2 H 77 3.925 4.086 -0.161 1 1 861 . 3 1 1 A 77 77 GLY HA3 H 77 4.508 4.090 0.418 1 1 862 . 3 1 1 A 77 77 GLY CA C 77 46.675 46.161 0.514 1 1 863 . 3 1 1 A 77 77 GLY N N 77 109.452 103.832 5.620 1 1 864 . 3 1 1 A 78 78 THR H H 78 8.272 8.612 -0.340 1 1 865 . 3 1 1 A 78 78 THR HA H 78 4.655 5.018 -0.363 1 1 870 . 3 1 1 A 78 78 THR CA C 78 63.204 61.124 2.080 1 1 871 . 3 1 1 A 78 78 THR CB C 78 72.222 72.037 0.185 1 1 873 . 3 1 1 A 78 78 THR N N 78 122.442 115.632 6.810 1 1 874 . 3 1 1 A 79 79 THR H H 79 9.027 9.106 -0.079 1 1 875 . 3 1 1 A 79 79 THR HA H 79 5.164 5.533 -0.369 1 1 880 . 3 1 1 A 79 79 THR CA C 79 60.303 60.087 0.216 1 1 881 . 3 1 1 A 79 79 THR CB C 79 70.442 70.626 -0.184 1 1 883 . 3 1 1 A 79 79 THR N N 79 121.451 117.901 3.550 1 1 884 . 3 1 1 A 80 80 LEU H H 80 8.698 8.933 -0.235 1 1 885 . 3 1 1 A 80 80 LEU HA H 80 4.835 5.071 -0.236 1 1 895 . 3 1 1 A 80 80 LEU CA C 80 54.194 53.402 0.792 1 1 896 . 3 1 1 A 80 80 LEU CB C 80 44.576 45.507 -0.931 1 1 900 . 3 1 1 A 80 80 LEU N N 80 119.374 121.832 -2.458 1 1 901 . 3 1 1 A 81 81 THR H H 81 8.675 8.942 -0.267 1 1 902 . 3 1 1 A 81 81 THR HA H 81 4.740 4.960 -0.220 1 1 907 . 3 1 1 A 81 81 THR CA C 81 61.838 62.096 -0.258 1 1 908 . 3 1 1 A 81 81 THR CB C 81 70.190 71.035 -0.845 1 1 910 . 3 1 1 A 81 81 THR N N 81 116.982 113.038 3.944 1 1 911 . 3 1 1 A 82 82 LEU H H 82 8.898 9.185 -0.287 1 1 912 . 3 1 1 A 82 82 LEU HA H 82 4.748 4.949 -0.201 1 1 922 . 3 1 1 A 82 82 LEU CA C 82 53.076 54.486 -1.410 1 1 923 . 3 1 1 A 82 82 LEU CB C 82 43.189 42.990 0.199 1 1 927 . 3 1 1 A 82 82 LEU N N 82 130.905 130.565 0.340 1 1 928 . 3 1 1 A 83 83 ARG H H 83 9.162 8.917 0.245 1 1 929 . 3 1 1 A 83 83 ARG HA H 83 5.174 4.772 0.402 1 1 936 . 3 1 1 A 83 83 ARG CA C 83 54.441 55.426 -0.985 1 1 937 . 3 1 1 A 83 83 ARG CB C 83 31.332 32.078 -0.746 1 1 940 . 3 1 1 A 83 83 ARG N N 83 131.064 126.461 4.603 1 1 941 . 3 1 1 A 84 84 ILE H H 84 9.474 8.929 0.545 1 1 942 . 3 1 1 A 84 84 ILE HA H 84 4.611 5.256 -0.645 1 1 952 . 3 1 1 A 84 84 ILE CA C 84 60.486 59.817 0.669 1 1 953 . 3 1 1 A 84 84 ILE CB C 84 40.120 41.020 -0.900 1 1 957 . 3 1 1 A 84 84 ILE N N 84 128.394 123.976 4.418 1 1 958 . 3 1 1 A 85 85 GLN H H 85 9.137 8.843 0.294 1 1 959 . 3 1 1 A 85 85 GLN HA H 85 5.457 4.912 0.545 1 1 966 . 3 1 1 A 85 85 GLN CA C 85 53.109 53.994 -0.885 1 1 967 . 3 1 1 A 85 85 GLN CB C 85 32.450 32.582 -0.132 1 1 969 . 3 1 1 A 85 85 GLN N N 85 124.857 126.319 -1.462 1 1 971 . 3 1 1 A 86 86 GLY H H 86 9.090 8.774 0.316 1 1 972 . 3 1 1 A 86 86 GLY HA2 H 86 3.813 4.039 -0.226 1 1 973 . 3 1 1 A 86 86 GLY HA3 H 86 4.499 4.050 0.449 1 1 974 . 3 1 1 A 86 86 GLY CA C 86 44.877 45.274 -0.397 1 1 975 . 3 1 1 A 86 86 GLY N N 86 110.702 114.114 -3.412 1 1 976 . 3 1 1 A 87 87 GLU H H 87 8.128 9.010 -0.882 1 1 977 . 3 1 1 A 87 87 GLU HA H 87 4.472 4.105 0.367 1 1 982 . 3 1 1 A 87 87 GLU CA C 87 56.057 59.141 -3.084 1 1 983 . 3 1 1 A 87 87 GLU CB C 87 29.943 29.533 0.410 1 1 985 . 3 1 1 A 87 87 GLU N N 87 120.445 121.694 -1.249 1 1 986 . 3 1 1 A 88 88 SER H H 88 8.063 8.043 0.020 1 1 987 . 3 1 1 A 88 88 SER HA H 88 4.469 4.660 -0.191 1 1 990 . 3 1 1 A 88 88 SER CA C 88 57.472 58.734 -1.262 1 1 991 . 3 1 1 A 88 88 SER CB C 88 63.799 63.591 0.208 1 1 992 . 3 1 1 A 88 88 SER N N 88 113.821 114.337 -0.516 1 1 993 . 3 1 1 A 89 89 ASN H H 89 8.502 8.961 -0.459 1 1 994 . 3 1 1 A 89 89 ASN HA H 89 4.533 4.545 -0.012 1 1 999 . 3 1 1 A 89 89 ASN CA C 89 53.715 54.706 -0.991 1 1 1000 . 3 1 1 A 89 89 ASN CB C 89 38.212 37.754 0.458 1 1 1001 . 3 1 1 A 89 89 ASN N N 89 119.482 123.659 -4.177 1 1 1003 . 3 1 1 A 90 90 ASP H H 90 8.104 7.655 0.449 1 1 1004 . 3 1 1 A 90 90 ASP HA H 90 5.061 4.725 0.336 1 1 1007 . 3 1 1 A 90 90 ASP CA C 90 51.392 52.992 -1.600 1 1 1008 . 3 1 1 A 90 90 ASP CB C 90 41.223 39.697 1.526 1 1 1009 . 3 1 1 A 90 90 ASP N N 90 119.891 122.201 -2.310 1 1 1010 . 3 1 1 A 91 91 PRO HA H 91 4.156 4.802 -0.646 1 1 1017 . 3 1 1 A 91 91 PRO CA C 91 62.200 63.324 -1.124 1 1 1018 . 3 1 1 A 91 91 PRO CB C 91 30.844 31.951 -1.107 1 1 1021 . 3 1 1 A 92 92 LEU H H 92 8.206 8.658 -0.452 1 1 1022 . 3 1 1 A 92 92 LEU HA H 92 4.504 4.772 -0.268 1 1 1032 . 3 1 1 A 92 92 LEU CA C 92 52.697 52.615 0.082 1 1 1033 . 3 1 1 A 92 92 LEU CB C 92 41.249 41.956 -0.707 1 1 1037 . 3 1 1 A 92 92 LEU N N 92 123.954 123.584 0.370 1 1 1038 . 3 1 1 A 93 93 PRO HA H 93 4.808 4.647 0.161 1 1 1045 . 3 1 1 A 93 93 PRO CA C 93 61.122 62.356 -1.234 1 1 1046 . 3 1 1 A 93 93 PRO CB C 93 32.289 32.511 -0.222 1 1 1049 . 3 1 1 A 94 94 ALA H H 94 8.420 8.406 0.014 1 1 1050 . 3 1 1 A 94 94 ALA HA H 94 4.164 4.498 -0.334 1 1 1054 . 3 1 1 A 94 94 ALA CA C 94 52.655 52.834 -0.179 1 1 1055 . 3 1 1 A 94 94 ALA CB C 94 18.563 19.430 -0.867 1 1 1056 . 3 1 1 A 94 94 ALA N N 94 120.368 123.205 -2.837 1 1 1057 . 3 1 1 A 95 95 PHE H H 95 7.961 7.905 0.056 1 1 1058 . 3 1 1 A 95 95 PHE HA H 95 5.489 5.689 -0.200 1 1 1066 . 3 1 1 A 95 95 PHE CA C 95 56.213 55.415 0.798 1 1 1067 . 3 1 1 A 95 95 PHE CB C 95 41.552 42.656 -1.104 1 1 1071 . 3 1 1 A 95 95 PHE N N 95 115.209 116.996 -1.787 1 1 1072 . 3 1 1 A 96 96 SER H H 96 9.231 9.019 0.212 1 1 1073 . 3 1 1 A 96 96 SER HA H 96 5.427 5.428 -0.001 1 1 1076 . 3 1 1 A 96 96 SER CA C 96 55.549 57.458 -1.909 1 1 1077 . 3 1 1 A 96 96 SER CB C 96 66.681 66.461 0.220 1 1 1078 . 3 1 1 A 96 96 SER N N 96 114.106 115.265 -1.159 1 1 1079 . 3 1 1 A 97 97 GLY H H 97 8.269 8.395 -0.126 1 1 1080 . 3 1 1 A 97 97 GLY HA2 H 97 4.612 4.318 0.294 1 1 1081 . 3 1 1 A 97 97 GLY HA3 H 97 3.571 4.346 -0.775 1 1 1082 . 3 1 1 A 97 97 GLY CA C 97 45.139 45.142 -0.003 1 1 1083 . 3 1 1 A 97 97 GLY N N 97 104.730 110.285 -5.555 1 1 1084 . 3 1 1 A 98 98 THR H H 98 8.068 8.611 -0.543 1 1 1085 . 3 1 1 A 98 98 THR HA H 98 4.836 5.152 -0.316 1 1 1090 . 3 1 1 A 98 98 THR CA C 98 62.462 61.395 1.067 1 1 1091 . 3 1 1 A 98 98 THR CB C 98 70.240 70.176 0.064 1 1 1093 . 3 1 1 A 98 98 THR N N 98 115.596 115.285 0.311 1 1 1094 . 3 1 1 A 99 99 VAL H H 99 9.016 9.523 -0.507 1 1 1095 . 3 1 1 A 99 99 VAL HA H 99 5.040 5.105 -0.065 1 1 1103 . 3 1 1 A 99 99 VAL CA C 99 59.695 59.982 -0.287 1 1 1104 . 3 1 1 A 99 99 VAL CB C 99 33.810 34.235 -0.425 1 1 1107 . 3 1 1 A 99 99 VAL N N 99 124.571 122.371 2.200 1 1 1108 . 3 1 1 A 100 100 GLU H H 100 9.595 9.320 0.275 1 1 1109 . 3 1 1 A 100 100 GLU HA H 100 5.463 5.053 0.410 1 1 1114 . 3 1 1 A 100 100 GLU CA C 100 53.132 55.495 -2.363 1 1 1115 . 3 1 1 A 100 100 GLU CB C 100 31.806 30.619 1.187 1 1 1117 . 3 1 1 A 100 100 GLU N N 100 125.607 124.524 1.083 1 1 1118 . 3 1 1 A 101 101 TYR H H 101 8.576 8.811 -0.235 1 1 1119 . 3 1 1 A 101 101 TYR HA H 101 4.568 5.652 -1.084 1 1 1126 . 3 1 1 A 101 101 TYR CA C 101 54.809 55.134 -0.325 1 1 1127 . 3 1 1 A 101 101 TYR CB C 101 39.516 41.126 -1.610 1 1 1130 . 3 1 1 A 101 101 TYR N N 101 117.224 122.142 -4.918 1 1 1131 . 3 1 1 A 102 102 GLY H H 102 6.489 7.395 -0.906 1 1 1132 . 3 1 1 A 102 102 GLY HA2 H 102 3.948 4.133 -0.185 1 1 1133 . 3 1 1 A 102 102 GLY HA3 H 102 4.190 4.180 0.010 1 1 1134 . 3 1 1 A 102 102 GLY CA C 102 46.509 45.776 0.733 1 1 1135 . 3 1 1 A 102 102 GLY N N 102 103.890 107.411 -3.521 1 1 1136 . 3 1 1 A 103 103 GLN H H 103 8.789 8.913 -0.124 1 1 1137 . 3 1 1 A 103 103 GLN HA H 103 4.893 5.263 -0.370 1 1 1144 . 3 1 1 A 103 103 GLN CA C 103 54.742 54.216 0.526 1 1 1145 . 3 1 1 A 103 103 GLN CB C 103 31.972 32.664 -0.692 1 1 1147 . 3 1 1 A 103 103 GLN N N 103 121.055 120.447 0.608 1 1 1149 . 3 1 1 A 104 104 ILE H H 104 8.877 9.006 -0.129 1 1 1150 . 3 1 1 A 104 104 ILE HA H 104 5.033 4.914 0.119 1 1 1160 . 3 1 1 A 104 104 ILE CA C 104 59.495 60.586 -1.091 1 1 1161 . 3 1 1 A 104 104 ILE CB C 104 40.485 40.456 0.029 1 1 1165 . 3 1 1 A 104 104 ILE N N 104 119.483 121.323 -1.840 1 1 1166 . 3 1 1 A 105 105 GLN H H 105 8.807 8.425 0.382 1 1 1167 . 3 1 1 A 105 105 GLN HA H 105 4.785 4.623 0.162 1 1 1174 . 3 1 1 A 105 105 GLN CA C 105 53.586 55.316 -1.730 1 1 1175 . 3 1 1 A 105 105 GLN CB C 105 32.029 28.954 3.075 1 1 1177 . 3 1 1 A 105 105 GLN N N 105 126.014 122.647 3.367 1 1 1179 . 3 1 1 A 106 106 GLY H H 106 8.680 7.992 0.688 1 1 1180 . 3 1 1 A 106 106 GLY HA2 H 106 4.878 4.122 0.756 1 1 1181 . 3 1 1 A 106 106 GLY HA3 H 106 3.898 4.139 -0.241 1 1 1182 . 3 1 1 A 106 106 GLY CA C 106 43.994 44.304 -0.310 1 1 1183 . 3 1 1 A 106 106 GLY N N 106 111.899 109.984 1.915 1 1 1184 . 3 1 1 A 107 107 THR H H 107 7.984 8.312 -0.328 1 1 1185 . 3 1 1 A 107 107 THR HA H 107 4.571 4.671 -0.100 1 1 1190 . 3 1 1 A 107 107 THR CA C 107 59.611 60.512 -0.901 1 1 1191 . 3 1 1 A 107 107 THR CB C 107 71.146 71.958 -0.812 1 1 1193 . 3 1 1 A 107 107 THR N N 107 111.498 110.348 1.150 1 1 1194 . 3 1 1 A 108 108 ILE H H 108 8.345 8.939 -0.594 1 1 1195 . 3 1 1 A 108 108 ILE HA H 108 3.775 3.840 -0.065 1 1 1205 . 3 1 1 A 108 108 ILE CA C 108 62.916 64.104 -1.188 1 1 1206 . 3 1 1 A 108 108 ILE CB C 108 37.737 37.084 0.653 1 1 1210 . 3 1 1 A 108 108 ILE N N 108 117.576 122.501 -4.925 1 1 1211 . 3 1 1 A 109 109 ASP H H 109 7.753 7.992 -0.239 1 1 1212 . 3 1 1 A 109 109 ASP HA H 109 4.564 4.555 0.009 1 1 1215 . 3 1 1 A 109 109 ASP CA C 109 54.540 56.398 -1.858 1 1 1216 . 3 1 1 A 109 109 ASP CB C 109 41.360 41.374 -0.014 1 1 1217 . 3 1 1 A 109 109 ASP N N 109 116.045 120.983 -4.938 1 1 1218 . 3 1 1 A 110 110 ASN H H 110 7.719 7.623 0.096 1 1 1219 . 3 1 1 A 110 110 ASN HA H 110 4.723 4.832 -0.109 1 1 1224 . 3 1 1 A 110 110 ASN CA C 110 53.036 52.472 0.564 1 1 1225 . 3 1 1 A 110 110 ASN CB C 110 38.443 38.972 -0.529 1 1 1226 . 3 1 1 A 110 110 ASN N N 110 119.075 114.143 4.932 1 1 1228 . 3 1 1 A 111 111 PHE H H 111 7.977 8.154 -0.177 1 1 1229 . 3 1 1 A 111 111 PHE HA H 111 5.249 5.251 -0.002 1 1 1237 . 3 1 1 A 111 111 PHE CA C 111 56.627 55.968 0.659 1 1 1238 . 3 1 1 A 111 111 PHE CB C 111 40.215 40.372 -0.157 1 1 1242 . 3 1 1 A 111 111 PHE N N 111 122.138 119.966 2.172 1 1 1243 . 3 1 1 A 112 112 GLN H H 112 8.715 8.971 -0.256 1 1 1244 . 3 1 1 A 112 112 GLN HA H 112 4.540 4.647 -0.107 1 1 1251 . 3 1 1 A 112 112 GLN CA C 112 54.035 55.685 -1.650 1 1 1252 . 3 1 1 A 112 112 GLN CB C 112 31.861 29.393 2.468 1 1 1254 . 3 1 1 A 112 112 GLN N N 112 119.575 124.674 -5.099 1 1 1256 . 3 1 1 A 113 113 GLU H H 113 8.546 8.896 -0.350 1 1 1257 . 3 1 1 A 113 113 GLU HA H 113 4.780 4.829 -0.049 1 1 1262 . 3 1 1 A 113 113 GLU CA C 113 55.412 56.371 -0.959 1 1 1263 . 3 1 1 A 113 113 GLU CB C 113 29.886 30.126 -0.240 1 1 1265 . 3 1 1 A 113 113 GLU N N 113 122.846 124.318 -1.472 1 1 1266 . 3 1 1 A 114 114 ILE H H 114 8.913 8.666 0.247 1 1 1267 . 3 1 1 A 114 114 ILE HA H 114 4.662 4.671 -0.009 1 1 1277 . 3 1 1 A 114 114 ILE CA C 114 59.144 59.386 -0.242 1 1 1278 . 3 1 1 A 114 114 ILE CB C 114 41.873 40.641 1.232 1 1 1282 . 3 1 1 A 114 114 ILE N N 114 120.222 119.978 0.244 1 1 1283 . 3 1 1 A 115 115 ASN H H 115 8.916 8.780 0.136 1 1 1284 . 3 1 1 A 115 115 ASN HA H 115 4.340 4.191 0.149 1 1 1289 . 3 1 1 A 115 115 ASN CA C 115 53.444 54.193 -0.749 1 1 1290 . 3 1 1 A 115 115 ASN CB C 115 36.467 37.067 -0.600 1 1 1291 . 3 1 1 A 115 115 ASN N N 115 120.916 118.793 2.123 1 1 1293 . 3 1 1 A 116 116 VAL H H 116 8.044 7.871 0.173 1 1 1294 . 3 1 1 A 116 116 VAL HA H 116 4.389 4.242 0.147 1 1 1302 . 3 1 1 A 116 116 VAL CA C 116 63.183 61.134 2.049 1 1 1303 . 3 1 1 A 116 116 VAL CB C 116 32.216 32.489 -0.273 1 1 1306 . 3 1 1 A 116 116 VAL N N 116 117.046 118.666 -1.620 1 1 1307 . 3 1 1 A 117 117 GLN H H 117 8.582 8.378 0.204 1 1 1308 . 3 1 1 A 117 117 GLN HA H 117 4.550 4.748 -0.198 1 1 1315 . 3 1 1 A 117 117 GLN CA C 117 53.827 54.059 -0.232 1 1 1316 . 3 1 1 A 117 117 GLN CB C 117 33.119 30.932 2.187 1 1 1318 . 3 1 1 A 117 117 GLN N N 117 127.086 127.190 -0.104 1 1 1320 . 3 1 1 A 118 118 ASN H H 118 8.330 8.833 -0.503 1 1 1321 . 3 1 1 A 118 118 ASN HA H 118 5.845 6.180 -0.335 1 1 1326 . 3 1 1 A 118 118 ASN CA C 118 51.736 51.288 0.448 1 1 1327 . 3 1 1 A 118 118 ASN CB C 118 42.644 42.237 0.407 1 1 1328 . 3 1 1 A 118 118 ASN N N 118 113.251 116.021 -2.770 1 1 1330 . 3 1 1 A 119 119 GLN H H 119 9.187 8.643 0.544 1 1 1331 . 3 1 1 A 119 119 GLN HA H 119 4.693 4.868 -0.175 1 1 1338 . 3 1 1 A 119 119 GLN CA C 119 55.160 54.854 0.306 1 1 1339 . 3 1 1 A 119 119 GLN CB C 119 34.157 33.022 1.135 1 1 1341 . 3 1 1 A 119 119 GLN N N 119 116.799 120.698 -3.899 1 1 1343 . 3 1 1 A 120 120 LEU H H 120 8.544 8.773 -0.229 1 1 1344 . 3 1 1 A 120 120 LEU HA H 120 5.059 5.258 -0.199 1 1 1354 . 3 1 1 A 120 120 LEU CA C 120 54.327 53.601 0.726 1 1 1355 . 3 1 1 A 120 120 LEU CB C 120 42.839 43.135 -0.296 1 1 1359 . 3 1 1 A 120 120 LEU N N 120 123.292 126.993 -3.701 1 1 1360 . 3 1 1 A 121 121 ILE H H 121 8.657 9.197 -0.540 1 1 1361 . 3 1 1 A 121 121 ILE HA H 121 4.778 4.888 -0.110 1 1 1371 . 3 1 1 A 121 121 ILE CA C 121 58.770 59.746 -0.976 1 1 1372 . 3 1 1 A 121 121 ILE CB C 121 41.582 39.601 1.981 1 1 1376 . 3 1 1 A 121 121 ILE N N 121 116.046 122.679 -6.633 1 1 1377 . 3 1 1 A 122 122 ASN H H 122 8.329 8.993 -0.664 1 1 1378 . 3 1 1 A 122 122 ASN HA H 122 5.068 5.356 -0.288 1 1 1383 . 3 1 1 A 122 122 ASN CA C 122 52.654 52.078 0.576 1 1 1384 . 3 1 1 A 122 122 ASN CB C 122 42.112 40.351 1.761 1 1 1385 . 3 1 1 A 122 122 ASN N N 122 118.416 124.926 -6.510 1 1 1387 . 3 1 1 A 123 123 ALA H H 123 8.547 8.743 -0.196 1 1 1388 . 3 1 1 A 123 123 ALA HA H 123 4.597 4.572 0.025 1 1 1392 . 3 1 1 A 123 123 ALA CA C 123 48.537 48.734 -0.197 1 1 1393 . 3 1 1 A 123 123 ALA CB C 123 19.998 21.169 -1.171 1 1 1394 . 3 1 1 A 123 123 ALA N N 123 124.108 125.771 -1.663 1 1 1395 . 3 1 1 A 124 124 PRO HA H 124 4.537 4.528 0.009 1 1 1402 . 3 1 1 A 124 124 PRO CA C 124 60.979 62.302 -1.323 1 1 1403 . 3 1 1 A 124 124 PRO CB C 124 32.285 32.430 -0.145 1 1 1406 . 3 1 1 A 125 125 ALA H H 125 8.587 8.318 0.269 1 1 1407 . 3 1 1 A 125 125 ALA HA H 125 3.899 4.374 -0.475 1 1 1411 . 3 1 1 A 125 125 ALA CA C 125 52.692 52.631 0.061 1 1 1412 . 3 1 1 A 125 125 ALA CB C 125 18.631 19.184 -0.553 1 1 1413 . 3 1 1 A 125 125 ALA N N 125 121.333 124.669 -3.336 1 1 1414 . 3 1 1 A 126 126 SER H H 126 8.227 8.959 -0.732 1 1 1415 . 3 1 1 A 126 126 SER HA H 126 4.616 4.575 0.041 1 1 1418 . 3 1 1 A 126 126 SER CA C 126 59.168 57.709 1.459 1 1 1419 . 3 1 1 A 126 126 SER CB C 126 64.636 60.843 3.793 1 1 1420 . 3 1 1 A 126 126 SER N N 126 118.947 120.286 -1.339 1 1 1421 . 3 1 1 A 127 127 VAL H H 127 8.595 7.836 0.759 1 1 1422 . 3 1 1 A 127 127 VAL HA H 127 4.276 4.056 0.220 1 1 1430 . 3 1 1 A 127 127 VAL CA C 127 62.194 64.215 -2.021 1 1 1431 . 3 1 1 A 127 127 VAL CB C 127 32.852 31.827 1.025 1 1 1434 . 3 1 1 A 127 127 VAL N N 127 117.209 120.205 -2.996 1 1 1435 . 3 1 1 A 128 128 LEU H H 128 7.844 7.567 0.277 1 1 1436 . 3 1 1 A 128 128 LEU HA H 128 4.588 4.607 -0.019 1 1 1446 . 3 1 1 A 128 128 LEU CA C 128 53.639 52.897 0.742 1 1 1447 . 3 1 1 A 128 128 LEU CB C 128 44.574 42.627 1.947 1 1 1451 . 3 1 1 A 128 128 LEU N N 128 121.103 123.386 -2.283 1 1 1452 . 3 1 1 A 129 129 ALA H H 129 8.377 8.858 -0.481 1 1 1453 . 3 1 1 A 129 129 ALA HA H 129 4.538 4.750 -0.212 1 1 1457 . 3 1 1 A 129 129 ALA CA C 129 53.476 50.517 2.959 1 1 1458 . 3 1 1 A 129 129 ALA CB C 129 20.982 18.763 2.219 1 1 1459 . 3 1 1 A 129 129 ALA N N 129 123.679 128.670 -4.991 1 1 1460 . 3 1 1 A 130 130 PRO HA H 130 4.669 4.873 -0.204 1 1 1467 . 3 1 1 A 130 130 PRO CA C 130 62.314 62.548 -0.234 1 1 1468 . 3 1 1 A 130 130 PRO CB C 130 33.473 32.183 1.290 1 1 1471 . 3 1 1 A 131 131 SER H H 131 9.365 8.455 0.910 1 1 1472 . 3 1 1 A 131 131 SER HA H 131 4.520 4.800 -0.280 1 1 1475 . 3 1 1 A 131 131 SER CA C 131 59.385 57.406 1.979 1 1 1476 . 3 1 1 A 131 131 SER CB C 131 63.866 63.622 0.244 1 1 1477 . 3 1 1 A 131 131 SER N N 131 122.226 114.654 7.572 1 1 1478 . 3 1 1 A 132 132 ASP H H 132 8.608 8.260 0.348 1 1 1479 . 3 1 1 A 132 132 ASP HA H 132 5.260 5.785 -0.525 1 1 1482 . 3 1 1 A 132 132 ASP CA C 132 53.345 52.615 0.730 1 1 1483 . 3 1 1 A 132 132 ASP CB C 132 41.791 44.623 -2.832 1 1 1484 . 3 1 1 A 132 132 ASP N N 132 124.814 124.093 0.721 1 1 1485 . 3 1 1 A 133 133 VAL H H 133 9.405 9.207 0.198 1 1 1486 . 3 1 1 A 133 133 VAL HA H 133 4.226 4.807 -0.581 1 1 1494 . 3 1 1 A 133 133 VAL CA C 133 61.669 60.426 1.243 1 1 1495 . 3 1 1 A 133 133 VAL CB C 133 34.448 35.533 -1.085 1 1 1498 . 3 1 1 A 133 133 VAL N N 133 127.192 122.790 4.402 1 1 1499 . 3 1 1 A 134 134 ASP H H 134 8.468 9.039 -0.571 1 1 1500 . 3 1 1 A 134 134 ASP HA H 134 5.368 5.797 -0.429 1 1 1503 . 3 1 1 A 134 134 ASP CA C 134 52.326 52.264 0.062 1 1 1504 . 3 1 1 A 134 134 ASP CB C 134 41.245 43.614 -2.369 1 1 1505 . 3 1 1 A 134 134 ASP N N 134 127.161 125.516 1.645 1 1 1506 . 3 1 1 A 135 135 ILE H H 135 9.406 8.965 0.441 1 1 1507 . 3 1 1 A 135 135 ILE HA H 135 4.636 4.870 -0.234 1 1 1517 . 3 1 1 A 135 135 ILE CA C 135 57.478 56.968 0.510 1 1 1518 . 3 1 1 A 135 135 ILE CB C 135 39.411 40.734 -1.323 1 1 1522 . 3 1 1 A 135 135 ILE N N 135 125.603 118.199 7.404 1 1 1523 . 3 1 1 A 136 136 PRO HA H 136 4.844 4.678 0.166 1 1 1530 . 3 1 1 A 136 136 PRO CA C 136 62.314 62.652 -0.338 1 1 1531 . 3 1 1 A 136 136 PRO CB C 136 31.563 33.073 -1.510 1 1 1534 . 3 1 1 A 137 137 LEU H H 137 9.196 8.758 0.438 1 1 1535 . 3 1 1 A 137 137 LEU HA H 137 4.739 4.764 -0.025 1 1 1545 . 3 1 1 A 137 137 LEU CA C 137 53.609 53.825 -0.216 1 1 1546 . 3 1 1 A 137 137 LEU CB C 137 45.473 45.709 -0.236 1 1 1550 . 3 1 1 A 137 137 LEU N N 137 124.087 123.009 1.078 1 1 1551 . 3 1 1 A 138 138 GLN H H 138 8.928 8.972 -0.044 1 1 1552 . 3 1 1 A 138 138 GLN HA H 138 4.581 4.660 -0.079 1 1 1559 . 3 1 1 A 138 138 GLN CA C 138 54.780 54.624 0.156 1 1 1560 . 3 1 1 A 138 138 GLN CB C 138 29.048 29.769 -0.721 1 1 1562 . 3 1 1 A 138 138 GLN N N 138 122.528 128.244 -5.716 1 1 1564 . 3 1 1 A 139 139 LEU H H 139 9.039 8.683 0.356 1 1 1565 . 3 1 1 A 139 139 LEU HA H 139 4.205 4.153 0.052 1 1 1575 . 3 1 1 A 139 139 LEU CA C 139 52.367 54.395 -2.028 1 1 1576 . 3 1 1 A 139 139 LEU CB C 139 38.673 41.908 -3.235 1 1 1580 . 3 1 1 A 139 139 LEU N N 139 127.667 127.021 0.646 1 1 1581 . 3 1 1 A 140 140 LYS H H 140 8.078 8.592 -0.514 1 1 1582 . 3 1 1 A 140 140 LYS HA H 140 4.352 4.766 -0.414 1 1 1591 . 3 1 1 A 140 140 LYS CA C 140 56.826 54.802 2.024 1 1 1592 . 3 1 1 A 140 140 LYS CB C 140 32.657 35.128 -2.471 1 1 1596 . 3 1 1 A 140 140 LYS N N 140 124.108 122.676 1.432 1 1 1597 . 3 1 1 A 141 141 GLY H H 141 9.166 9.059 0.107 1 1 1598 . 3 1 1 A 141 141 GLY HA2 H 141 3.788 3.974 -0.186 1 1 1599 . 3 1 1 A 141 141 GLY HA3 H 141 4.119 3.988 0.131 1 1 1600 . 3 1 1 A 141 141 GLY CA C 141 45.682 45.841 -0.159 1 1 1601 . 3 1 1 A 141 141 GLY N N 141 110.698 111.545 -0.847 1 1 1602 . 3 1 1 A 142 142 ILE H H 142 7.112 7.847 -0.735 1 1 1603 . 3 1 1 A 142 142 ILE HA H 142 4.600 4.676 -0.076 1 1 1613 . 3 1 1 A 142 142 ILE CA C 142 58.547 60.174 -1.627 1 1 1614 . 3 1 1 A 142 142 ILE CB C 142 40.437 41.718 -1.281 1 1 1618 . 3 1 1 A 142 142 ILE N N 142 117.928 120.611 -2.683 1 1 1619 . 3 1 1 A 143 143 SER H H 143 8.381 9.022 -0.641 1 1 1620 . 3 1 1 A 143 143 SER HA H 143 4.613 4.535 0.078 1 1 1623 . 3 1 1 A 143 143 SER CA C 143 56.654 58.859 -2.205 1 1 1624 . 3 1 1 A 143 143 SER CB C 143 65.051 63.920 1.131 1 1 1625 . 3 1 1 A 143 143 SER N N 143 123.373 124.965 -1.592 1 1 1626 . 3 1 1 A 144 144 VAL H H 144 8.702 8.355 0.347 1 1 1627 . 3 1 1 A 144 144 VAL HA H 144 3.593 3.884 -0.291 1 1 1635 . 3 1 1 A 144 144 VAL CA C 144 65.655 64.995 0.660 1 1 1636 . 3 1 1 A 144 144 VAL CB C 144 31.434 31.948 -0.514 1 1 1639 . 3 1 1 A 144 144 VAL N N 144 120.791 126.268 -5.477 1 1 1640 . 3 1 1 A 145 145 ASP H H 145 8.151 8.126 0.025 1 1 1641 . 3 1 1 A 145 145 ASP HA H 145 4.435 4.448 -0.013 1 1 1644 . 3 1 1 A 145 145 ASP CA C 145 55.211 56.669 -1.458 1 1 1645 . 3 1 1 A 145 145 ASP CB C 145 40.268 40.919 -0.651 1 1 1646 . 3 1 1 A 145 145 ASP N N 145 115.698 121.139 -5.441 1 1 1647 . 3 1 1 A 146 146 GLN H H 146 7.553 7.856 -0.303 1 1 1648 . 3 1 1 A 146 146 GLN HA H 146 4.302 4.436 -0.134 1 1 1655 . 3 1 1 A 146 146 GLN CA C 146 55.072 54.933 0.139 1 1 1656 . 3 1 1 A 146 146 GLN CB C 146 29.990 29.378 0.612 1 1 1658 . 3 1 1 A 146 146 GLN N N 146 117.118 115.783 1.335 1 1 1660 . 3 1 1 A 147 147 LEU H H 147 7.368 7.320 0.048 1 1 1661 . 3 1 1 A 147 147 LEU HA H 147 4.119 4.479 -0.360 1 1 1671 . 3 1 1 A 147 147 LEU CA C 147 54.904 54.462 0.442 1 1 1672 . 3 1 1 A 147 147 LEU CB C 147 40.355 42.883 -2.528 1 1 1676 . 3 1 1 A 147 147 LEU N N 147 121.541 123.722 -2.181 1 1 1677 . 3 1 1 A 148 148 GLY H H 148 8.791 8.717 0.074 1 1 1678 . 3 1 1 A 148 148 GLY HA2 H 148 4.512 3.969 0.543 1 1 1679 . 3 1 1 A 148 148 GLY HA3 H 148 3.997 4.037 -0.040 1 1 1680 . 3 1 1 A 148 148 GLY CA C 148 45.610 46.943 -1.333 1 1 1681 . 3 1 1 A 148 148 GLY N N 148 116.322 113.469 2.853 1 1 1682 . 3 1 1 A 149 149 PHE H H 149 7.790 7.634 0.156 1 1 1683 . 3 1 1 A 149 149 PHE HA H 149 5.215 5.394 -0.179 1 1 1691 . 3 1 1 A 149 149 PHE CA C 149 56.942 55.835 1.107 1 1 1692 . 3 1 1 A 149 149 PHE CB C 149 42.019 43.359 -1.340 1 1 1696 . 3 1 1 A 149 149 PHE N N 149 113.675 112.889 0.786 1 1 1697 . 3 1 1 A 150 150 VAL H H 150 8.549 8.998 -0.449 1 1 1698 . 3 1 1 A 150 150 VAL HA H 150 4.776 4.930 -0.154 1 1 1706 . 3 1 1 A 150 150 VAL CA C 150 61.068 61.570 -0.502 1 1 1707 . 3 1 1 A 150 150 VAL CB C 150 34.594 34.110 0.484 1 1 1710 . 3 1 1 A 150 150 VAL N N 150 118.208 119.953 -1.745 1 1 1711 . 3 1 1 A 151 151 ARG H H 151 9.953 9.444 0.509 1 1 1712 . 3 1 1 A 151 151 ARG HA H 151 5.783 5.146 0.637 1 1 1719 . 3 1 1 A 151 151 ARG CA C 151 53.530 55.010 -1.480 1 1 1720 . 3 1 1 A 151 151 ARG CB C 151 33.540 31.733 1.807 1 1 1723 . 3 1 1 A 151 151 ARG N N 151 128.446 128.953 -0.507 1 1 1724 . 3 1 1 A 152 152 ILE H H 152 8.905 8.767 0.138 1 1 1725 . 3 1 1 A 152 152 ILE HA H 152 5.188 4.821 0.367 1 1 1735 . 3 1 1 A 152 152 ILE CA C 152 60.464 60.683 -0.219 1 1 1736 . 3 1 1 A 152 152 ILE CB C 152 39.542 38.479 1.063 1 1 1740 . 3 1 1 A 152 152 ILE N N 152 127.149 128.307 -1.158 1 1 1741 . 3 1 1 A 153 153 HIS H H 153 8.941 8.554 0.387 1 1 1742 . 3 1 1 A 153 153 HIS HA H 153 5.074 4.882 0.192 1 1 1747 . 3 1 1 A 153 153 HIS CA C 153 53.417 54.567 -1.150 1 1 1748 . 3 1 1 A 153 153 HIS CB C 153 31.734 32.333 -0.599 1 1 1751 . 3 1 1 A 153 153 HIS N N 153 119.132 123.428 -4.296 1 1 1752 . 3 1 1 A 154 154 ASP H H 154 9.109 8.835 0.274 1 1 1753 . 3 1 1 A 154 154 ASP HA H 154 4.276 4.063 0.213 1 1 1756 . 3 1 1 A 154 154 ASP CA C 154 55.630 55.019 0.611 1 1 1757 . 3 1 1 A 154 154 ASP CB C 154 39.450 39.020 0.430 1 1 1758 . 3 1 1 A 154 154 ASP N N 154 116.420 116.487 -0.067 1 1 1759 . 3 1 1 A 155 155 ILE H H 155 8.062 8.039 0.023 1 1 1760 . 3 1 1 A 155 155 ILE HA H 155 5.051 4.232 0.819 1 1 1770 . 3 1 1 A 155 155 ILE CA C 155 59.666 61.598 -1.932 1 1 1771 . 3 1 1 A 155 155 ILE CB C 155 35.757 37.318 -1.561 1 1 1775 . 3 1 1 A 155 155 ILE N N 155 119.131 119.597 -0.466 1 1 1776 . 3 1 1 A 156 156 GLN H H 156 9.011 9.045 -0.034 1 1 1777 . 3 1 1 A 156 156 GLN HA H 156 4.993 5.016 -0.023 1 1 1784 . 3 1 1 A 156 156 GLN CA C 156 51.975 52.809 -0.834 1 1 1785 . 3 1 1 A 156 156 GLN CB C 156 31.210 31.806 -0.596 1 1 1787 . 3 1 1 A 156 156 GLN N N 156 127.177 124.196 2.981 1 1 1789 . 3 1 1 A 157 157 PRO HA H 157 4.964 4.914 0.050 1 1 1796 . 3 1 1 A 157 157 PRO CA C 157 61.770 62.520 -0.750 1 1 1797 . 3 1 1 A 157 157 PRO CB C 157 31.637 32.486 -0.849 1 1 1800 . 3 1 1 A 158 158 VAL H H 158 7.921 8.454 -0.533 1 1 1801 . 3 1 1 A 158 158 VAL HA H 158 4.107 4.732 -0.625 1 1 1809 . 3 1 1 A 158 158 VAL CA C 158 62.234 59.675 2.559 1 1 1810 . 3 1 1 A 158 158 VAL CB C 158 32.610 33.603 -0.993 1 1 1813 . 3 1 1 A 158 158 VAL N N 158 121.642 116.770 4.872 1 1 1814 . 3 1 1 A 159 159 MET H H 159 8.544 8.752 -0.208 1 1 1815 . 3 1 1 A 159 159 MET HA H 159 4.548 5.022 -0.474 1 1 1820 . 3 1 1 A 159 159 MET CA C 159 54.731 54.256 0.475 1 1 1821 . 3 1 1 A 159 159 MET CB C 159 32.547 35.690 -3.143 1 1 1823 . 3 1 1 A 159 159 MET N N 159 124.452 119.947 4.505 1 1 1824 . 3 1 1 A 160 160 GLN H H 160 8.434 8.504 -0.070 1 1 1825 . 3 1 1 A 160 160 GLN HA H 160 4.354 4.609 -0.255 1 1 1832 . 3 1 1 A 160 160 GLN CA C 160 55.399 55.824 -0.425 1 1 1833 . 3 1 1 A 160 160 GLN CB C 160 29.112 29.473 -0.361 1 1 1835 . 3 1 1 A 160 160 GLN N N 160 121.917 121.881 0.036 1 1 1837 . 3 1 1 A 161 161 LEU H H 161 8.325 8.596 -0.271 1 1 1838 . 3 1 1 A 161 161 LEU HA H 161 4.314 4.331 -0.017 1 1 1848 . 3 1 1 A 161 161 LEU CA C 161 55.040 56.152 -1.112 1 1 1849 . 3 1 1 A 161 161 LEU CB C 161 42.225 42.647 -0.422 1 1 1853 . 3 1 1 A 161 161 LEU N N 161 123.826 129.324 -5.498 1 1 1854 . 3 1 1 A 162 162 GLU H H 162 8.358 8.753 -0.395 1 1 1855 . 3 1 1 A 162 162 GLU HA H 162 4.216 4.941 -0.725 1 1 1860 . 3 1 1 A 162 162 GLU CA C 162 56.343 54.855 1.488 1 1 1861 . 3 1 1 A 162 162 GLU CB C 162 30.083 33.194 -3.111 1 1 1863 . 3 1 1 A 162 162 GLU N N 162 121.293 124.668 -3.375 1 1 1864 . 3 1 1 A 163 163 HIS H H 163 8.376 9.105 -0.729 1 1 1865 . 3 1 1 A 163 163 HIS HA H 163 4.641 5.905 -1.264 1 1 1868 . 3 1 1 A 163 163 HIS CA C 163 55.437 53.534 1.903 1 1 1869 . 3 1 1 A 163 163 HIS CB C 163 29.412 33.485 -4.073 1 1 1870 . 3 1 1 A 163 163 HIS N N 163 121.307 117.079 4.228 1 1 1871 . 3 1 1 A 164 164 HIS H H 164 8.289 8.913 -0.624 1 1 1872 . 3 1 1 A 164 164 HIS N N 164 125.228 119.819 5.409 1 1 1873 . 3 1 1 A 166 166 HIS HA H 166 4.300 5.187 -0.887 1 1 1876 . 3 1 1 A 166 166 HIS CA C 166 55.708 53.171 2.537 1 1 1877 . 3 1 1 A 166 166 HIS CB C 166 29.207 33.651 -4.444 1 1 1878 . 3 1 1 A 167 167 HIS H H 167 8.591 9.067 -0.476 1 1 1879 . 3 1 1 A 167 167 HIS HA H 167 4.541 4.548 -0.007 1 1 1882 . 3 1 1 A 167 167 HIS CA C 167 54.678 58.479 -3.801 1 1 1883 . 3 1 1 A 167 167 HIS CB C 167 26.256 30.955 -4.699 1 1 1884 . 3 1 1 A 167 167 HIS N N 167 121.317 119.791 1.526 1 1 1 . 4 1 1 A 2 2 VAL HA H 2 3.850 5.098 -1.248 1 1 9 . 4 1 1 A 2 2 VAL CA C 2 61.400 58.765 2.635 1 1 10 . 4 1 1 A 2 2 VAL CB C 2 32.400 36.106 -3.706 1 1 13 . 4 1 1 A 3 3 GLN HA H 3 4.445 4.801 -0.356 1 1 18 . 4 1 1 A 3 3 GLN CA C 3 55.467 54.370 1.097 1 1 19 . 4 1 1 A 3 3 GLN CB C 3 29.271 32.769 -3.498 1 1 21 . 4 1 1 A 4 4 GLN H H 4 8.703 8.571 0.132 1 1 22 . 4 1 1 A 4 4 GLN HA H 4 4.356 4.598 -0.242 1 1 27 . 4 1 1 A 4 4 GLN CA C 4 55.961 55.126 0.835 1 1 28 . 4 1 1 A 4 4 GLN CB C 4 29.178 28.603 0.575 1 1 30 . 4 1 1 A 4 4 GLN N N 4 123.281 126.895 -3.614 1 1 31 . 4 1 1 A 5 5 SER H H 5 8.426 8.029 0.397 1 1 32 . 4 1 1 A 5 5 SER HA H 5 4.424 4.483 -0.059 1 1 35 . 4 1 1 A 5 5 SER CA C 5 58.498 58.891 -0.393 1 1 36 . 4 1 1 A 5 5 SER CB C 5 63.534 64.032 -0.498 1 1 37 . 4 1 1 A 5 5 SER N N 5 116.845 121.457 -4.612 1 1 38 . 4 1 1 A 6 6 GLU H H 6 8.434 8.608 -0.174 1 1 39 . 4 1 1 A 6 6 GLU HA H 6 4.342 4.708 -0.366 1 1 44 . 4 1 1 A 6 6 GLU CA C 6 56.410 55.190 1.220 1 1 45 . 4 1 1 A 6 6 GLU CB C 6 29.873 31.030 -1.157 1 1 47 . 4 1 1 A 6 6 GLU N N 6 122.965 121.959 1.006 1 1 48 . 4 1 1 A 7 7 VAL H H 7 8.131 8.461 -0.330 1 1 49 . 4 1 1 A 7 7 VAL HA H 7 4.063 4.734 -0.671 1 1 57 . 4 1 1 A 7 7 VAL CA C 7 62.213 60.643 1.570 1 1 58 . 4 1 1 A 7 7 VAL CB C 7 32.391 33.419 -1.028 1 1 61 . 4 1 1 A 7 7 VAL N N 7 121.508 116.397 5.111 1 1 62 . 4 1 1 A 8 8 ARG H H 8 8.376 8.807 -0.431 1 1 63 . 4 1 1 A 8 8 ARG HA H 8 4.335 4.898 -0.563 1 1 70 . 4 1 1 A 8 8 ARG CA C 8 56.013 54.394 1.619 1 1 71 . 4 1 1 A 8 8 ARG CB C 8 30.528 33.240 -2.712 1 1 74 . 4 1 1 A 8 8 ARG N N 8 124.504 123.890 0.614 1 1 75 . 4 1 1 A 9 9 GLN H H 9 8.360 8.703 -0.343 1 1 76 . 4 1 1 A 9 9 GLN HA H 9 4.353 4.798 -0.445 1 1 81 . 4 1 1 A 9 9 GLN CA C 9 55.446 54.849 0.597 1 1 82 . 4 1 1 A 9 9 GLN CB C 9 29.236 29.499 -0.263 1 1 84 . 4 1 1 A 9 9 GLN N N 9 121.537 120.861 0.676 1 1 85 . 4 1 1 A 10 10 MET H H 10 8.391 8.393 -0.002 1 1 86 . 4 1 1 A 10 10 MET HA H 10 4.459 4.688 -0.229 1 1 91 . 4 1 1 A 10 10 MET CA C 10 55.062 55.166 -0.104 1 1 92 . 4 1 1 A 10 10 MET CB C 10 32.482 32.457 0.025 1 1 94 . 4 1 1 A 10 10 MET N N 10 122.199 124.557 -2.358 1 1 95 . 4 1 1 A 11 11 LYS H H 11 8.317 8.609 -0.292 1 1 96 . 4 1 1 A 11 11 LYS HA H 11 4.296 4.452 -0.156 1 1 105 . 4 1 1 A 11 11 LYS CA C 11 56.114 56.083 0.031 1 1 106 . 4 1 1 A 11 11 LYS CB C 11 32.372 32.700 -0.328 1 1 110 . 4 1 1 A 11 11 LYS N N 11 122.440 122.637 -0.197 1 1 111 . 4 1 1 A 12 12 HIS H H 12 8.489 8.608 -0.119 1 1 112 . 4 1 1 A 12 12 HIS HA H 12 4.748 5.349 -0.601 1 1 116 . 4 1 1 A 12 12 HIS CA C 12 55.052 53.426 1.626 1 1 117 . 4 1 1 A 12 12 HIS CB C 12 29.094 32.482 -3.388 1 1 119 . 4 1 1 A 12 12 HIS N N 12 119.934 120.053 -0.119 1 1 120 . 4 1 1 A 13 13 SER H H 13 8.401 8.763 -0.362 1 1 121 . 4 1 1 A 13 13 SER HA H 13 4.518 4.346 0.172 1 1 124 . 4 1 1 A 13 13 SER CA C 13 57.855 58.784 -0.929 1 1 125 . 4 1 1 A 13 13 SER CB C 13 63.750 63.720 0.030 1 1 126 . 4 1 1 A 13 13 SER N N 13 117.596 114.949 2.647 1 1 127 . 4 1 1 A 14 14 VAL H H 14 8.285 8.695 -0.410 1 1 128 . 4 1 1 A 14 14 VAL HA H 14 4.239 4.858 -0.619 1 1 136 . 4 1 1 A 14 14 VAL CA C 14 62.078 59.719 2.359 1 1 137 . 4 1 1 A 14 14 VAL CB C 14 32.564 34.983 -2.419 1 1 140 . 4 1 1 A 14 14 VAL N N 14 121.378 118.260 3.118 1 1 141 . 4 1 1 A 15 15 SER H H 15 8.419 8.875 -0.456 1 1 142 . 4 1 1 A 15 15 SER HA H 15 4.556 4.756 -0.200 1 1 145 . 4 1 1 A 15 15 SER CA C 15 57.855 57.899 -0.044 1 1 146 . 4 1 1 A 15 15 SER CB C 15 63.600 63.265 0.335 1 1 147 . 4 1 1 A 15 15 SER N N 15 119.022 121.716 -2.694 1 1 148 . 4 1 1 A 16 16 THR H H 16 8.189 7.444 0.745 1 1 149 . 4 1 1 A 16 16 THR HA H 16 4.362 4.465 -0.103 1 1 154 . 4 1 1 A 16 16 THR CA C 16 61.510 60.417 1.093 1 1 155 . 4 1 1 A 16 16 THR CB C 16 69.292 71.410 -2.118 1 1 157 . 4 1 1 A 16 16 THR N N 16 116.040 112.806 3.234 1 1 158 . 4 1 1 A 17 17 LEU H H 17 8.168 8.740 -0.572 1 1 159 . 4 1 1 A 17 17 LEU HA H 17 4.331 4.284 0.047 1 1 169 . 4 1 1 A 17 17 LEU CA C 17 55.446 54.947 0.499 1 1 170 . 4 1 1 A 17 17 LEU CB C 17 42.032 42.633 -0.601 1 1 174 . 4 1 1 A 17 17 LEU N N 17 123.796 122.756 1.040 1 1 175 . 4 1 1 A 18 18 ASN H H 18 8.406 8.633 -0.227 1 1 176 . 4 1 1 A 18 18 ASN HA H 18 4.685 4.719 -0.034 1 1 181 . 4 1 1 A 18 18 ASN CA C 18 53.276 53.344 -0.068 1 1 182 . 4 1 1 A 18 18 ASN CB C 18 38.462 39.341 -0.879 1 1 183 . 4 1 1 A 18 18 ASN N N 18 119.197 119.705 -0.508 1 1 185 . 4 1 1 A 19 19 GLN H H 19 8.346 8.507 -0.161 1 1 186 . 4 1 1 A 19 19 GLN HA H 19 4.319 4.687 -0.368 1 1 193 . 4 1 1 A 19 19 GLN CA C 19 56.075 54.322 1.753 1 1 194 . 4 1 1 A 19 19 GLN CB C 19 29.077 31.527 -2.450 1 1 196 . 4 1 1 A 19 19 GLN N N 19 120.620 118.700 1.920 1 1 198 . 4 1 1 A 20 20 GLU H H 20 8.474 8.266 0.208 1 1 199 . 4 1 1 A 20 20 GLU HA H 20 4.269 4.522 -0.253 1 1 204 . 4 1 1 A 20 20 GLU CA C 20 56.932 54.739 2.193 1 1 205 . 4 1 1 A 20 20 GLU CB C 20 29.694 30.224 -0.530 1 1 207 . 4 1 1 A 20 20 GLU N N 20 121.410 120.671 0.739 1 1 208 . 4 1 1 A 21 21 MET H H 21 8.366 8.653 -0.287 1 1 209 . 4 1 1 A 21 21 MET HA H 21 4.538 4.405 0.133 1 1 214 . 4 1 1 A 21 21 MET CA C 21 55.812 55.805 0.007 1 1 215 . 4 1 1 A 21 21 MET CB C 21 32.188 32.582 -0.394 1 1 217 . 4 1 1 A 21 21 MET N N 21 120.618 119.315 1.303 1 1 218 . 4 1 1 A 22 22 THR H H 22 8.127 8.449 -0.322 1 1 219 . 4 1 1 A 22 22 THR HA H 22 4.299 4.623 -0.324 1 1 224 . 4 1 1 A 22 22 THR CA C 22 62.287 60.561 1.726 1 1 225 . 4 1 1 A 22 22 THR CB C 22 69.174 71.205 -2.031 1 1 227 . 4 1 1 A 22 22 THR N N 22 114.858 113.374 1.484 1 1 228 . 4 1 1 A 23 23 GLN H H 23 8.342 8.203 0.139 1 1 229 . 4 1 1 A 23 23 GLN HA H 23 4.339 4.369 -0.030 1 1 236 . 4 1 1 A 23 23 GLN CA C 23 56.148 54.708 1.440 1 1 237 . 4 1 1 A 23 23 GLN CB C 23 29.112 29.110 0.002 1 1 239 . 4 1 1 A 23 23 GLN N N 23 122.047 119.411 2.636 1 1 241 . 4 1 1 A 24 24 LEU H H 24 8.174 8.110 0.064 1 1 242 . 4 1 1 A 24 24 LEU HA H 24 4.334 4.307 0.027 1 1 252 . 4 1 1 A 24 24 LEU CA C 24 55.519 55.436 0.083 1 1 253 . 4 1 1 A 24 24 LEU CB C 24 42.146 43.418 -1.272 1 1 257 . 4 1 1 A 24 24 LEU N N 24 122.328 121.332 0.996 1 1 258 . 4 1 1 A 25 25 ASN H H 25 8.384 8.463 -0.079 1 1 259 . 4 1 1 A 25 25 ASN HA H 25 4.692 4.618 0.074 1 1 264 . 4 1 1 A 25 25 ASN CA C 25 53.481 53.703 -0.222 1 1 265 . 4 1 1 A 25 25 ASN CB C 25 38.445 40.377 -1.932 1 1 266 . 4 1 1 A 25 25 ASN N N 25 119.262 121.839 -2.577 1 1 268 . 4 1 1 A 26 26 GLN H H 26 8.453 8.754 -0.301 1 1 269 . 4 1 1 A 26 26 GLN HA H 26 4.215 3.868 0.347 1 1 276 . 4 1 1 A 26 26 GLN CA C 26 57.037 59.554 -2.517 1 1 277 . 4 1 1 A 26 26 GLN CB C 26 28.996 28.578 0.418 1 1 279 . 4 1 1 A 26 26 GLN N N 26 120.394 124.530 -4.136 1 1 281 . 4 1 1 A 27 27 GLU H H 27 8.501 8.353 0.148 1 1 282 . 4 1 1 A 27 27 GLU HA H 27 4.202 4.096 0.106 1 1 287 . 4 1 1 A 27 27 GLU CA C 27 58.573 59.314 -0.741 1 1 288 . 4 1 1 A 27 27 GLU CB C 27 29.349 29.469 -0.120 1 1 290 . 4 1 1 A 27 27 GLU N N 27 121.130 120.055 1.075 1 1 291 . 4 1 1 A 28 28 THR H H 28 8.032 8.149 -0.117 1 1 292 . 4 1 1 A 28 28 THR HA H 28 4.079 3.954 0.125 1 1 297 . 4 1 1 A 28 28 THR CA C 28 64.762 66.786 -2.024 1 1 298 . 4 1 1 A 28 28 THR CB C 28 68.354 68.385 -0.031 1 1 300 . 4 1 1 A 28 28 THR N N 28 114.032 115.947 -1.915 1 1 301 . 4 1 1 A 29 29 VAL H H 29 7.969 7.922 0.047 1 1 302 . 4 1 1 A 29 29 VAL HA H 29 3.812 3.521 0.291 1 1 310 . 4 1 1 A 29 29 VAL CA C 29 65.572 67.091 -1.519 1 1 311 . 4 1 1 A 29 29 VAL CB C 29 31.624 31.368 0.256 1 1 314 . 4 1 1 A 29 29 VAL N N 29 122.215 121.875 0.340 1 1 315 . 4 1 1 A 30 30 LYS H H 30 7.910 8.155 -0.245 1 1 316 . 4 1 1 A 30 30 LYS HA H 30 4.175 4.035 0.140 1 1 325 . 4 1 1 A 30 30 LYS CA C 30 57.780 59.069 -1.289 1 1 326 . 4 1 1 A 30 30 LYS CB C 30 31.537 32.117 -0.580 1 1 330 . 4 1 1 A 30 30 LYS N N 30 119.387 119.834 -0.447 1 1 331 . 4 1 1 A 31 31 ILE H H 31 8.277 8.111 0.166 1 1 332 . 4 1 1 A 31 31 ILE HA H 31 3.602 3.600 0.002 1 1 342 . 4 1 1 A 31 31 ILE CA C 31 65.712 65.546 0.166 1 1 343 . 4 1 1 A 31 31 ILE CB C 31 38.559 37.700 0.859 1 1 347 . 4 1 1 A 31 31 ILE N N 31 121.053 120.269 0.784 1 1 348 . 4 1 1 A 32 32 THR H H 32 7.896 8.134 -0.238 1 1 349 . 4 1 1 A 32 32 THR HA H 32 4.004 3.842 0.162 1 1 354 . 4 1 1 A 32 32 THR CA C 32 65.922 66.890 -0.968 1 1 355 . 4 1 1 A 32 32 THR CB C 32 68.400 68.409 -0.009 1 1 357 . 4 1 1 A 32 32 THR N N 32 115.554 116.639 -1.085 1 1 358 . 4 1 1 A 33 33 GLN H H 33 8.279 8.038 0.241 1 1 359 . 4 1 1 A 33 33 GLN HA H 33 3.887 3.903 -0.016 1 1 366 . 4 1 1 A 33 33 GLN CA C 33 59.052 59.133 -0.081 1 1 367 . 4 1 1 A 33 33 GLN CB C 33 27.889 28.263 -0.374 1 1 369 . 4 1 1 A 33 33 GLN N N 33 120.920 121.437 -0.517 1 1 371 . 4 1 1 A 34 34 GLN H H 34 8.671 7.974 0.697 1 1 372 . 4 1 1 A 34 34 GLN HA H 34 3.615 3.971 -0.356 1 1 379 . 4 1 1 A 34 34 GLN CA C 34 60.424 59.011 1.413 1 1 380 . 4 1 1 A 34 34 GLN CB C 34 30.058 28.517 1.541 1 1 382 . 4 1 1 A 34 34 GLN N N 34 120.388 119.255 1.133 1 1 384 . 4 1 1 A 35 35 ASN H H 35 8.636 8.099 0.537 1 1 385 . 4 1 1 A 35 35 ASN HA H 35 4.595 4.482 0.113 1 1 390 . 4 1 1 A 35 35 ASN CA C 35 55.363 56.118 -0.755 1 1 391 . 4 1 1 A 35 35 ASN CB C 35 36.904 37.614 -0.710 1 1 392 . 4 1 1 A 35 35 ASN N N 35 116.477 118.112 -1.635 1 1 394 . 4 1 1 A 36 36 ARG H H 36 8.321 7.745 0.576 1 1 395 . 4 1 1 A 36 36 ARG HA H 36 4.142 4.013 0.129 1 1 402 . 4 1 1 A 36 36 ARG CA C 36 58.582 59.085 -0.503 1 1 403 . 4 1 1 A 36 36 ARG CB C 36 29.712 29.879 -0.167 1 1 406 . 4 1 1 A 36 36 ARG N N 36 121.347 119.860 1.487 1 1 407 . 4 1 1 A 37 37 LEU H H 37 8.251 8.310 -0.059 1 1 408 . 4 1 1 A 37 37 LEU HA H 37 3.788 3.672 0.116 1 1 418 . 4 1 1 A 37 37 LEU CA C 37 57.094 57.559 -0.465 1 1 419 . 4 1 1 A 37 37 LEU CB C 37 40.554 40.473 0.081 1 1 423 . 4 1 1 A 37 37 LEU N N 37 120.862 119.731 1.131 1 1 424 . 4 1 1 A 38 38 ASN H H 38 8.047 8.382 -0.335 1 1 425 . 4 1 1 A 38 38 ASN HA H 38 5.134 4.480 0.654 1 1 430 . 4 1 1 A 38 38 ASN CA C 38 54.413 57.157 -2.744 1 1 431 . 4 1 1 A 38 38 ASN CB C 38 38.069 39.802 -1.733 1 1 432 . 4 1 1 A 38 38 ASN N N 38 115.574 118.140 -2.566 1 1 434 . 4 1 1 A 39 39 ALA H H 39 7.878 7.957 -0.079 1 1 435 . 4 1 1 A 39 39 ALA HA H 39 4.342 4.005 0.337 1 1 439 . 4 1 1 A 39 39 ALA CA C 39 53.981 54.908 -0.927 1 1 440 . 4 1 1 A 39 39 ALA CB C 39 18.340 18.341 -0.001 1 1 441 . 4 1 1 A 39 39 ALA N N 39 123.076 121.229 1.847 1 1 442 . 4 1 1 A 40 40 LYS H H 40 7.431 7.284 0.147 1 1 443 . 4 1 1 A 40 40 LYS HA H 40 4.528 4.350 0.178 1 1 452 . 4 1 1 A 40 40 LYS CA C 40 55.285 56.318 -1.033 1 1 453 . 4 1 1 A 40 40 LYS CB C 40 32.852 32.841 0.011 1 1 457 . 4 1 1 A 40 40 LYS N N 40 114.889 115.192 -0.303 1 1 458 . 4 1 1 A 41 41 SER H H 41 7.671 7.391 0.280 1 1 459 . 4 1 1 A 41 41 SER HA H 41 4.615 4.683 -0.068 1 1 462 . 4 1 1 A 41 41 SER CA C 41 58.189 58.810 -0.621 1 1 463 . 4 1 1 A 41 41 SER CB C 41 63.924 64.425 -0.501 1 1 464 . 4 1 1 A 41 41 SER N N 41 114.795 116.853 -2.058 1 1 465 . 4 1 1 A 42 42 SER H H 42 8.927 8.864 0.063 1 1 466 . 4 1 1 A 42 42 SER HA H 42 4.792 4.693 0.099 1 1 469 . 4 1 1 A 42 42 SER CA C 42 58.133 59.440 -1.307 1 1 470 . 4 1 1 A 42 42 SER CB C 42 63.712 64.985 -1.273 1 1 471 . 4 1 1 A 42 42 SER N N 42 120.934 120.586 0.348 1 1 472 . 4 1 1 A 43 43 SER H H 43 8.320 8.105 0.215 1 1 473 . 4 1 1 A 43 43 SER HA H 43 4.654 4.563 0.091 1 1 476 . 4 1 1 A 43 43 SER CA C 43 57.309 56.903 0.406 1 1 477 . 4 1 1 A 43 43 SER CB C 43 63.151 63.300 -0.149 1 1 478 . 4 1 1 A 43 43 SER N N 43 115.966 112.584 3.382 1 1 479 . 4 1 1 A 44 44 GLY H H 44 8.182 8.806 -0.624 1 1 480 . 4 1 1 A 44 44 GLY HA2 H 44 4.206 3.980 0.226 1 1 481 . 4 1 1 A 44 44 GLY HA3 H 44 4.399 4.012 0.387 1 1 482 . 4 1 1 A 44 44 GLY CA C 44 44.540 45.115 -0.575 1 1 483 . 4 1 1 A 44 44 GLY N N 44 110.764 113.973 -3.209 1 1 484 . 4 1 1 A 45 45 VAL H H 45 8.341 8.240 0.101 1 1 485 . 4 1 1 A 45 45 VAL HA H 45 4.845 5.085 -0.240 1 1 493 . 4 1 1 A 45 45 VAL CA C 45 58.981 59.387 -0.406 1 1 494 . 4 1 1 A 45 45 VAL CB C 45 35.239 35.040 0.199 1 1 497 . 4 1 1 A 45 45 VAL N N 45 114.116 118.239 -4.123 1 1 498 . 4 1 1 A 46 46 TYR H H 46 10.501 9.101 1.400 1 1 499 . 4 1 1 A 46 46 TYR HA H 46 5.004 5.031 -0.027 1 1 506 . 4 1 1 A 46 46 TYR CA C 46 58.121 57.443 0.678 1 1 507 . 4 1 1 A 46 46 TYR CB C 46 41.382 38.599 2.783 1 1 510 . 4 1 1 A 46 46 TYR N N 46 123.384 124.398 -1.014 1 1 511 . 4 1 1 A 47 47 LEU H H 47 9.364 9.378 -0.014 1 1 512 . 4 1 1 A 47 47 LEU HA H 47 4.695 5.206 -0.511 1 1 522 . 4 1 1 A 47 47 LEU CA C 47 52.769 53.712 -0.943 1 1 523 . 4 1 1 A 47 47 LEU CB C 47 44.689 43.452 1.237 1 1 527 . 4 1 1 A 47 47 LEU N N 47 118.822 125.842 -7.020 1 1 528 . 4 1 1 A 48 48 LEU H H 48 9.128 9.138 -0.010 1 1 529 . 4 1 1 A 48 48 LEU HA H 48 5.232 4.861 0.371 1 1 539 . 4 1 1 A 48 48 LEU CA C 48 51.100 51.267 -0.167 1 1 540 . 4 1 1 A 48 48 LEU CB C 48 40.141 43.774 -3.633 1 1 544 . 4 1 1 A 48 48 LEU N N 48 123.384 125.506 -2.122 1 1 545 . 4 1 1 A 49 49 PRO HA H 49 4.090 4.204 -0.114 1 1 552 . 4 1 1 A 49 49 PRO CA C 49 64.912 65.758 -0.846 1 1 553 . 4 1 1 A 49 49 PRO CB C 49 31.607 31.912 -0.305 1 1 556 . 4 1 1 A 50 50 GLY H H 50 9.181 8.541 0.640 1 1 557 . 4 1 1 A 50 50 GLY HA2 H 50 3.933 3.908 0.025 1 1 558 . 4 1 1 A 50 50 GLY HA3 H 50 4.757 3.911 0.846 1 1 559 . 4 1 1 A 50 50 GLY CA C 50 45.499 46.492 -0.993 1 1 560 . 4 1 1 A 50 50 GLY N N 50 106.827 106.697 0.130 1 1 561 . 4 1 1 A 51 51 ALA H H 51 7.857 7.537 0.320 1 1 562 . 4 1 1 A 51 51 ALA HA H 51 4.264 4.455 -0.191 1 1 566 . 4 1 1 A 51 51 ALA CA C 51 53.156 50.943 2.213 1 1 567 . 4 1 1 A 51 51 ALA CB C 51 18.492 17.216 1.276 1 1 568 . 4 1 1 A 51 51 ALA N N 51 120.192 120.555 -0.363 1 1 569 . 4 1 1 A 52 52 LYS H H 52 7.787 8.010 -0.223 1 1 570 . 4 1 1 A 52 52 LYS HA H 52 4.094 4.425 -0.331 1 1 579 . 4 1 1 A 52 52 LYS CA C 52 56.979 55.826 1.153 1 1 580 . 4 1 1 A 52 52 LYS CB C 52 30.731 30.540 0.191 1 1 584 . 4 1 1 A 52 52 LYS N N 52 115.260 121.953 -6.693 1 1 585 . 4 1 1 A 53 53 THR H H 53 8.043 8.436 -0.393 1 1 586 . 4 1 1 A 53 53 THR HA H 53 4.924 5.107 -0.183 1 1 591 . 4 1 1 A 53 53 THR CA C 53 59.565 58.587 0.978 1 1 592 . 4 1 1 A 53 53 THR CB C 53 72.729 70.566 2.163 1 1 594 . 4 1 1 A 53 53 THR N N 53 114.085 112.959 1.126 1 1 595 . 4 1 1 A 54 54 PRO HA H 54 4.860 4.927 -0.067 1 1 602 . 4 1 1 A 54 54 PRO CA C 54 62.176 62.462 -0.286 1 1 603 . 4 1 1 A 54 54 PRO CB C 54 32.820 31.817 1.003 1 1 606 . 4 1 1 A 55 55 ALA H H 55 8.834 8.811 0.023 1 1 607 . 4 1 1 A 55 55 ALA HA H 55 4.824 5.049 -0.225 1 1 611 . 4 1 1 A 55 55 ALA CA C 55 50.500 50.287 0.213 1 1 612 . 4 1 1 A 55 55 ALA CB C 55 22.858 22.158 0.700 1 1 613 . 4 1 1 A 55 55 ALA N N 55 122.227 125.825 -3.598 1 1 614 . 4 1 1 A 56 56 ARG H H 56 8.445 8.634 -0.189 1 1 615 . 4 1 1 A 56 56 ARG HA H 56 5.262 4.810 0.452 1 1 623 . 4 1 1 A 56 56 ARG CA C 56 54.401 55.603 -1.202 1 1 624 . 4 1 1 A 56 56 ARG CB C 56 32.849 31.365 1.484 1 1 627 . 4 1 1 A 56 56 ARG N N 56 121.194 122.761 -1.567 1 1 629 . 4 1 1 A 57 57 LEU H H 57 9.159 9.072 0.087 1 1 630 . 4 1 1 A 57 57 LEU HA H 57 4.672 4.933 -0.261 1 1 640 . 4 1 1 A 57 57 LEU CA C 57 53.028 53.990 -0.962 1 1 641 . 4 1 1 A 57 57 LEU CB C 57 46.231 46.110 0.121 1 1 645 . 4 1 1 A 57 57 LEU N N 57 125.694 127.011 -1.317 1 1 646 . 4 1 1 A 58 58 GLU H H 58 8.890 9.010 -0.120 1 1 647 . 4 1 1 A 58 58 GLU HA H 58 4.535 4.803 -0.268 1 1 652 . 4 1 1 A 58 58 GLU CA C 58 55.733 55.869 -0.136 1 1 653 . 4 1 1 A 58 58 GLU CB C 58 27.970 30.878 -2.908 1 1 655 . 4 1 1 A 58 58 GLU N N 58 127.677 128.698 -1.021 1 1 656 . 4 1 1 A 59 59 SER H H 59 7.772 8.887 -1.115 1 1 657 . 4 1 1 A 59 59 SER HA H 59 4.970 5.043 -0.073 1 1 661 . 4 1 1 A 59 59 SER CA C 59 57.576 56.044 1.532 1 1 662 . 4 1 1 A 59 59 SER CB C 59 69.174 66.614 2.560 1 1 663 . 4 1 1 A 59 59 SER N N 59 121.860 119.513 2.347 1 1 664 . 4 1 1 A 60 60 GLN H H 60 9.336 8.110 1.226 1 1 665 . 4 1 1 A 60 60 GLN HA H 60 4.262 4.313 -0.051 1 1 672 . 4 1 1 A 60 60 GLN CA C 60 57.792 57.615 0.177 1 1 673 . 4 1 1 A 60 60 GLN CB C 60 29.669 28.347 1.322 1 1 675 . 4 1 1 A 60 60 GLN N N 60 119.522 117.194 2.328 1 1 677 . 4 1 1 A 61 61 ILE H H 61 8.007 7.360 0.647 1 1 678 . 4 1 1 A 61 61 ILE HA H 61 4.623 4.583 0.040 1 1 688 . 4 1 1 A 61 61 ILE CA C 61 59.813 60.291 -0.478 1 1 689 . 4 1 1 A 61 61 ILE CB C 61 37.013 39.348 -2.335 1 1 693 . 4 1 1 A 61 61 ILE N N 61 109.398 111.920 -2.522 1 1 694 . 4 1 1 A 62 62 GLY H H 62 7.223 6.816 0.407 1 1 695 . 4 1 1 A 62 62 GLY HA2 H 62 4.493 4.067 0.426 1 1 696 . 4 1 1 A 62 62 GLY HA3 H 62 3.872 4.075 -0.203 1 1 697 . 4 1 1 A 62 62 GLY CA C 62 43.022 44.344 -1.322 1 1 698 . 4 1 1 A 62 62 GLY N N 62 109.035 109.463 -0.428 1 1 699 . 4 1 1 A 63 63 THR H H 63 8.910 8.444 0.466 1 1 700 . 4 1 1 A 63 63 THR HA H 63 4.599 4.760 -0.161 1 1 705 . 4 1 1 A 63 63 THR CA C 63 64.037 62.935 1.102 1 1 706 . 4 1 1 A 63 63 THR CB C 63 68.111 69.888 -1.777 1 1 708 . 4 1 1 A 63 63 THR N N 63 119.711 116.369 3.342 1 1 709 . 4 1 1 A 64 64 LEU H H 64 9.070 9.114 -0.044 1 1 710 . 4 1 1 A 64 64 LEU HA H 64 5.120 5.282 -0.162 1 1 720 . 4 1 1 A 64 64 LEU CA C 64 52.680 53.045 -0.365 1 1 721 . 4 1 1 A 64 64 LEU CB C 64 44.749 46.216 -1.467 1 1 725 . 4 1 1 A 64 64 LEU N N 64 127.640 122.770 4.870 1 1 726 . 4 1 1 A 65 65 ARG H H 65 9.271 8.745 0.526 1 1 727 . 4 1 1 A 65 65 ARG HA H 65 4.989 5.189 -0.200 1 1 735 . 4 1 1 A 65 65 ARG CA C 65 54.814 54.246 0.568 1 1 736 . 4 1 1 A 65 65 ARG CB C 65 31.836 34.052 -2.216 1 1 739 . 4 1 1 A 65 65 ARG N N 65 122.680 119.757 2.923 1 1 741 . 4 1 1 A 66 66 MET H H 66 9.310 8.825 0.485 1 1 742 . 4 1 1 A 66 66 MET HA H 66 5.822 5.953 -0.131 1 1 747 . 4 1 1 A 66 66 MET CA C 66 53.936 54.208 -0.272 1 1 748 . 4 1 1 A 66 66 MET CB C 66 35.912 37.313 -1.401 1 1 750 . 4 1 1 A 66 66 MET N N 66 125.309 124.371 0.938 1 1 751 . 4 1 1 A 67 67 SER H H 67 8.943 8.598 0.345 1 1 752 . 4 1 1 A 67 67 SER HA H 67 4.660 5.077 -0.417 1 1 755 . 4 1 1 A 67 67 SER CA C 67 57.460 57.045 0.415 1 1 756 . 4 1 1 A 67 67 SER CB C 67 65.747 66.291 -0.544 1 1 757 . 4 1 1 A 67 67 SER N N 67 112.115 114.832 -2.717 1 1 758 . 4 1 1 A 68 68 LEU H H 68 8.410 8.859 -0.449 1 1 759 . 4 1 1 A 68 68 LEU HA H 68 5.115 5.049 0.066 1 1 769 . 4 1 1 A 68 68 LEU CA C 68 52.837 53.574 -0.737 1 1 770 . 4 1 1 A 68 68 LEU CB C 68 42.269 42.410 -0.141 1 1 774 . 4 1 1 A 68 68 LEU N N 68 118.367 124.050 -5.683 1 1 775 . 4 1 1 A 69 69 VAL H H 69 9.060 8.307 0.753 1 1 776 . 4 1 1 A 69 69 VAL HA H 69 4.440 4.647 -0.207 1 1 784 . 4 1 1 A 69 69 VAL CA C 69 59.852 59.615 0.237 1 1 785 . 4 1 1 A 69 69 VAL CB C 69 35.349 35.234 0.115 1 1 788 . 4 1 1 A 69 69 VAL N N 69 119.888 118.088 1.800 1 1 789 . 4 1 1 A 70 70 ASN H H 70 8.651 8.706 -0.055 1 1 790 . 4 1 1 A 70 70 ASN HA H 70 4.345 4.168 0.177 1 1 795 . 4 1 1 A 70 70 ASN CA C 70 53.555 54.080 -0.525 1 1 796 . 4 1 1 A 70 70 ASN CB C 70 36.932 36.920 0.012 1 1 797 . 4 1 1 A 70 70 ASN N N 70 119.166 117.874 1.292 1 1 799 . 4 1 1 A 71 71 ILE H H 71 8.449 7.813 0.636 1 1 800 . 4 1 1 A 71 71 ILE HA H 71 4.235 4.368 -0.133 1 1 810 . 4 1 1 A 71 71 ILE CA C 71 63.104 60.491 2.613 1 1 811 . 4 1 1 A 71 71 ILE CB C 71 37.200 37.106 0.094 1 1 815 . 4 1 1 A 71 71 ILE N N 71 121.388 119.318 2.070 1 1 816 . 4 1 1 A 72 72 THR H H 72 9.511 8.781 0.730 1 1 817 . 4 1 1 A 72 72 THR HA H 72 4.967 5.067 -0.100 1 1 822 . 4 1 1 A 72 72 THR CA C 72 59.584 57.935 1.649 1 1 823 . 4 1 1 A 72 72 THR CB C 72 71.930 70.381 1.549 1 1 825 . 4 1 1 A 72 72 THR N N 72 125.726 117.882 7.844 1 1 826 . 4 1 1 A 73 73 PRO HA H 73 4.822 4.745 0.077 1 1 833 . 4 1 1 A 73 73 PRO CA C 73 63.362 62.611 0.751 1 1 834 . 4 1 1 A 73 73 PRO CB C 73 32.451 31.875 0.576 1 1 837 . 4 1 1 A 74 74 ASP H H 74 8.404 8.947 -0.543 1 1 838 . 4 1 1 A 74 74 ASP HA H 74 4.824 4.965 -0.141 1 1 841 . 4 1 1 A 74 74 ASP CA C 74 52.609 52.816 -0.207 1 1 842 . 4 1 1 A 74 74 ASP CB C 74 43.743 43.504 0.239 1 1 843 . 4 1 1 A 74 74 ASP N N 74 122.325 122.384 -0.059 1 1 844 . 4 1 1 A 75 75 ALA H H 75 8.539 8.831 -0.292 1 1 845 . 4 1 1 A 75 75 ALA HA H 75 4.062 4.000 0.062 1 1 849 . 4 1 1 A 75 75 ALA CA C 75 54.431 55.115 -0.684 1 1 850 . 4 1 1 A 75 75 ALA CB C 75 18.117 18.386 -0.269 1 1 851 . 4 1 1 A 75 75 ALA N N 75 123.501 126.572 -3.071 1 1 852 . 4 1 1 A 76 76 ASP H H 76 8.356 8.175 0.181 1 1 853 . 4 1 1 A 76 76 ASP HA H 76 4.815 4.675 0.140 1 1 856 . 4 1 1 A 76 76 ASP CA C 76 53.161 54.337 -1.176 1 1 857 . 4 1 1 A 76 76 ASP CB C 76 41.234 41.702 -0.468 1 1 858 . 4 1 1 A 76 76 ASP N N 76 115.326 115.143 0.183 1 1 859 . 4 1 1 A 77 77 GLY H H 77 7.569 7.552 0.017 1 1 860 . 4 1 1 A 77 77 GLY HA2 H 77 3.925 4.098 -0.173 1 1 861 . 4 1 1 A 77 77 GLY HA3 H 77 4.508 4.104 0.404 1 1 862 . 4 1 1 A 77 77 GLY CA C 77 46.675 46.128 0.547 1 1 863 . 4 1 1 A 77 77 GLY N N 77 109.452 105.792 3.660 1 1 864 . 4 1 1 A 78 78 THR H H 78 8.272 8.410 -0.138 1 1 865 . 4 1 1 A 78 78 THR HA H 78 4.655 5.001 -0.346 1 1 870 . 4 1 1 A 78 78 THR CA C 78 63.204 61.179 2.025 1 1 871 . 4 1 1 A 78 78 THR CB C 78 72.222 72.067 0.155 1 1 873 . 4 1 1 A 78 78 THR N N 78 122.442 115.890 6.552 1 1 874 . 4 1 1 A 79 79 THR H H 79 9.027 9.145 -0.118 1 1 875 . 4 1 1 A 79 79 THR HA H 79 5.164 5.718 -0.554 1 1 880 . 4 1 1 A 79 79 THR CA C 79 60.303 60.524 -0.221 1 1 881 . 4 1 1 A 79 79 THR CB C 79 70.442 70.451 -0.009 1 1 883 . 4 1 1 A 79 79 THR N N 79 121.451 118.748 2.703 1 1 884 . 4 1 1 A 80 80 LEU H H 80 8.698 8.890 -0.192 1 1 885 . 4 1 1 A 80 80 LEU HA H 80 4.835 5.592 -0.757 1 1 895 . 4 1 1 A 80 80 LEU CA C 80 54.194 52.987 1.207 1 1 896 . 4 1 1 A 80 80 LEU CB C 80 44.576 45.995 -1.419 1 1 900 . 4 1 1 A 80 80 LEU N N 80 119.374 123.892 -4.518 1 1 901 . 4 1 1 A 81 81 THR H H 81 8.675 8.715 -0.040 1 1 902 . 4 1 1 A 81 81 THR HA H 81 4.740 4.844 -0.104 1 1 907 . 4 1 1 A 81 81 THR CA C 81 61.838 62.213 -0.375 1 1 908 . 4 1 1 A 81 81 THR CB C 81 70.190 69.432 0.758 1 1 910 . 4 1 1 A 81 81 THR N N 81 116.982 116.497 0.485 1 1 911 . 4 1 1 A 82 82 LEU H H 82 8.898 9.086 -0.188 1 1 912 . 4 1 1 A 82 82 LEU HA H 82 4.748 4.802 -0.054 1 1 922 . 4 1 1 A 82 82 LEU CA C 82 53.076 54.242 -1.166 1 1 923 . 4 1 1 A 82 82 LEU CB C 82 43.189 43.216 -0.027 1 1 927 . 4 1 1 A 82 82 LEU N N 82 130.905 129.947 0.958 1 1 928 . 4 1 1 A 83 83 ARG H H 83 9.162 8.815 0.347 1 1 929 . 4 1 1 A 83 83 ARG HA H 83 5.174 4.765 0.409 1 1 936 . 4 1 1 A 83 83 ARG CA C 83 54.441 55.515 -1.074 1 1 937 . 4 1 1 A 83 83 ARG CB C 83 31.332 31.624 -0.292 1 1 940 . 4 1 1 A 83 83 ARG N N 83 131.064 126.506 4.558 1 1 941 . 4 1 1 A 84 84 ILE H H 84 9.474 9.460 0.014 1 1 942 . 4 1 1 A 84 84 ILE HA H 84 4.611 4.956 -0.345 1 1 952 . 4 1 1 A 84 84 ILE CA C 84 60.486 60.559 -0.073 1 1 953 . 4 1 1 A 84 84 ILE CB C 84 40.120 39.481 0.639 1 1 957 . 4 1 1 A 84 84 ILE N N 84 128.394 124.880 3.514 1 1 958 . 4 1 1 A 85 85 GLN H H 85 9.137 8.893 0.244 1 1 959 . 4 1 1 A 85 85 GLN HA H 85 5.457 5.054 0.403 1 1 966 . 4 1 1 A 85 85 GLN CA C 85 53.109 54.322 -1.213 1 1 967 . 4 1 1 A 85 85 GLN CB C 85 32.450 30.700 1.750 1 1 969 . 4 1 1 A 85 85 GLN N N 85 124.857 126.863 -2.006 1 1 971 . 4 1 1 A 86 86 GLY H H 86 9.090 8.695 0.395 1 1 972 . 4 1 1 A 86 86 GLY HA2 H 86 3.813 4.055 -0.242 1 1 973 . 4 1 1 A 86 86 GLY HA3 H 86 4.499 4.072 0.427 1 1 974 . 4 1 1 A 86 86 GLY CA C 86 44.877 45.396 -0.519 1 1 975 . 4 1 1 A 86 86 GLY N N 86 110.702 111.267 -0.565 1 1 976 . 4 1 1 A 87 87 GLU H H 87 8.128 8.584 -0.456 1 1 977 . 4 1 1 A 87 87 GLU HA H 87 4.472 4.172 0.300 1 1 982 . 4 1 1 A 87 87 GLU CA C 87 56.057 58.840 -2.783 1 1 983 . 4 1 1 A 87 87 GLU CB C 87 29.943 29.846 0.097 1 1 985 . 4 1 1 A 87 87 GLU N N 87 120.445 122.318 -1.873 1 1 986 . 4 1 1 A 88 88 SER H H 88 8.063 8.124 -0.061 1 1 987 . 4 1 1 A 88 88 SER HA H 88 4.469 4.671 -0.202 1 1 990 . 4 1 1 A 88 88 SER CA C 88 57.472 58.100 -0.628 1 1 991 . 4 1 1 A 88 88 SER CB C 88 63.799 64.996 -1.197 1 1 992 . 4 1 1 A 88 88 SER N N 88 113.821 112.965 0.856 1 1 993 . 4 1 1 A 89 89 ASN H H 89 8.502 9.079 -0.577 1 1 994 . 4 1 1 A 89 89 ASN HA H 89 4.533 4.534 -0.001 1 1 999 . 4 1 1 A 89 89 ASN CA C 89 53.715 55.304 -1.589 1 1 1000 . 4 1 1 A 89 89 ASN CB C 89 38.212 38.747 -0.535 1 1 1001 . 4 1 1 A 89 89 ASN N N 89 119.482 122.569 -3.087 1 1 1003 . 4 1 1 A 90 90 ASP H H 90 8.104 7.620 0.484 1 1 1004 . 4 1 1 A 90 90 ASP HA H 90 5.061 4.707 0.354 1 1 1007 . 4 1 1 A 90 90 ASP CA C 90 51.392 53.127 -1.735 1 1 1008 . 4 1 1 A 90 90 ASP CB C 90 41.223 40.471 0.752 1 1 1009 . 4 1 1 A 90 90 ASP N N 90 119.891 120.352 -0.461 1 1 1010 . 4 1 1 A 91 91 PRO HA H 91 4.156 4.670 -0.514 1 1 1017 . 4 1 1 A 91 91 PRO CA C 91 62.200 62.776 -0.576 1 1 1018 . 4 1 1 A 91 91 PRO CB C 91 30.844 31.802 -0.958 1 1 1021 . 4 1 1 A 92 92 LEU H H 92 8.206 8.404 -0.198 1 1 1022 . 4 1 1 A 92 92 LEU HA H 92 4.504 4.643 -0.139 1 1 1032 . 4 1 1 A 92 92 LEU CA C 92 52.697 53.054 -0.357 1 1 1033 . 4 1 1 A 92 92 LEU CB C 92 41.249 41.159 0.090 1 1 1037 . 4 1 1 A 92 92 LEU N N 92 123.954 123.759 0.195 1 1 1038 . 4 1 1 A 93 93 PRO HA H 93 4.808 4.647 0.161 1 1 1045 . 4 1 1 A 93 93 PRO CA C 93 61.122 62.324 -1.202 1 1 1046 . 4 1 1 A 93 93 PRO CB C 93 32.289 32.679 -0.390 1 1 1049 . 4 1 1 A 94 94 ALA H H 94 8.420 8.405 0.015 1 1 1050 . 4 1 1 A 94 94 ALA HA H 94 4.164 4.436 -0.272 1 1 1054 . 4 1 1 A 94 94 ALA CA C 94 52.655 52.793 -0.138 1 1 1055 . 4 1 1 A 94 94 ALA CB C 94 18.563 19.376 -0.813 1 1 1056 . 4 1 1 A 94 94 ALA N N 94 120.368 123.176 -2.808 1 1 1057 . 4 1 1 A 95 95 PHE H H 95 7.961 7.831 0.130 1 1 1058 . 4 1 1 A 95 95 PHE HA H 95 5.489 5.567 -0.078 1 1 1066 . 4 1 1 A 95 95 PHE CA C 95 56.213 55.462 0.751 1 1 1067 . 4 1 1 A 95 95 PHE CB C 95 41.552 42.611 -1.059 1 1 1071 . 4 1 1 A 95 95 PHE N N 95 115.209 117.028 -1.819 1 1 1072 . 4 1 1 A 96 96 SER H H 96 9.231 9.484 -0.253 1 1 1073 . 4 1 1 A 96 96 SER HA H 96 5.427 5.807 -0.380 1 1 1076 . 4 1 1 A 96 96 SER CA C 96 55.549 57.054 -1.505 1 1 1077 . 4 1 1 A 96 96 SER CB C 96 66.681 66.358 0.323 1 1 1078 . 4 1 1 A 96 96 SER N N 96 114.106 114.572 -0.466 1 1 1079 . 4 1 1 A 97 97 GLY H H 97 8.269 8.465 -0.196 1 1 1080 . 4 1 1 A 97 97 GLY HA2 H 97 4.612 4.390 0.222 1 1 1081 . 4 1 1 A 97 97 GLY HA3 H 97 3.571 4.414 -0.843 1 1 1082 . 4 1 1 A 97 97 GLY CA C 97 45.139 44.750 0.389 1 1 1083 . 4 1 1 A 97 97 GLY N N 97 104.730 108.679 -3.949 1 1 1084 . 4 1 1 A 98 98 THR H H 98 8.068 8.583 -0.515 1 1 1085 . 4 1 1 A 98 98 THR HA H 98 4.836 4.870 -0.034 1 1 1090 . 4 1 1 A 98 98 THR CA C 98 62.462 61.691 0.771 1 1 1091 . 4 1 1 A 98 98 THR CB C 98 70.240 69.133 1.107 1 1 1093 . 4 1 1 A 98 98 THR N N 98 115.596 116.058 -0.462 1 1 1094 . 4 1 1 A 99 99 VAL H H 99 9.016 8.856 0.160 1 1 1095 . 4 1 1 A 99 99 VAL HA H 99 5.040 4.769 0.271 1 1 1103 . 4 1 1 A 99 99 VAL CA C 99 59.695 61.305 -1.610 1 1 1104 . 4 1 1 A 99 99 VAL CB C 99 33.810 33.119 0.691 1 1 1107 . 4 1 1 A 99 99 VAL N N 99 124.571 123.148 1.423 1 1 1108 . 4 1 1 A 100 100 GLU H H 100 9.595 9.220 0.375 1 1 1109 . 4 1 1 A 100 100 GLU HA H 100 5.463 4.919 0.544 1 1 1114 . 4 1 1 A 100 100 GLU CA C 100 53.132 55.186 -2.054 1 1 1115 . 4 1 1 A 100 100 GLU CB C 100 31.806 31.440 0.366 1 1 1117 . 4 1 1 A 100 100 GLU N N 100 125.607 126.054 -0.447 1 1 1118 . 4 1 1 A 101 101 TYR H H 101 8.576 8.485 0.091 1 1 1119 . 4 1 1 A 101 101 TYR HA H 101 4.568 5.642 -1.074 1 1 1126 . 4 1 1 A 101 101 TYR CA C 101 54.809 54.781 0.028 1 1 1127 . 4 1 1 A 101 101 TYR CB C 101 39.516 41.913 -2.397 1 1 1130 . 4 1 1 A 101 101 TYR N N 101 117.224 122.067 -4.843 1 1 1131 . 4 1 1 A 102 102 GLY H H 102 6.489 7.452 -0.963 1 1 1132 . 4 1 1 A 102 102 GLY HA2 H 102 3.948 4.126 -0.178 1 1 1133 . 4 1 1 A 102 102 GLY HA3 H 102 4.190 4.197 -0.007 1 1 1134 . 4 1 1 A 102 102 GLY CA C 102 46.509 45.820 0.689 1 1 1135 . 4 1 1 A 102 102 GLY N N 102 103.890 105.794 -1.904 1 1 1136 . 4 1 1 A 103 103 GLN H H 103 8.789 8.900 -0.111 1 1 1137 . 4 1 1 A 103 103 GLN HA H 103 4.893 5.223 -0.330 1 1 1144 . 4 1 1 A 103 103 GLN CA C 103 54.742 54.267 0.475 1 1 1145 . 4 1 1 A 103 103 GLN CB C 103 31.972 32.960 -0.988 1 1 1147 . 4 1 1 A 103 103 GLN N N 103 121.055 120.464 0.591 1 1 1149 . 4 1 1 A 104 104 ILE H H 104 8.877 9.336 -0.459 1 1 1150 . 4 1 1 A 104 104 ILE HA H 104 5.033 4.841 0.192 1 1 1160 . 4 1 1 A 104 104 ILE CA C 104 59.495 60.660 -1.165 1 1 1161 . 4 1 1 A 104 104 ILE CB C 104 40.485 38.890 1.595 1 1 1165 . 4 1 1 A 104 104 ILE N N 104 119.483 123.345 -3.862 1 1 1166 . 4 1 1 A 105 105 GLN H H 105 8.807 8.295 0.512 1 1 1167 . 4 1 1 A 105 105 GLN HA H 105 4.785 4.425 0.360 1 1 1174 . 4 1 1 A 105 105 GLN CA C 105 53.586 55.526 -1.940 1 1 1175 . 4 1 1 A 105 105 GLN CB C 105 32.029 28.508 3.521 1 1 1177 . 4 1 1 A 105 105 GLN N N 105 126.014 123.977 2.037 1 1 1179 . 4 1 1 A 106 106 GLY H H 106 8.680 8.012 0.668 1 1 1180 . 4 1 1 A 106 106 GLY HA2 H 106 4.878 4.143 0.735 1 1 1181 . 4 1 1 A 106 106 GLY HA3 H 106 3.898 4.172 -0.274 1 1 1182 . 4 1 1 A 106 106 GLY CA C 106 43.994 44.587 -0.593 1 1 1183 . 4 1 1 A 106 106 GLY N N 106 111.899 109.814 2.085 1 1 1184 . 4 1 1 A 107 107 THR H H 107 7.984 8.512 -0.528 1 1 1185 . 4 1 1 A 107 107 THR HA H 107 4.571 4.807 -0.236 1 1 1190 . 4 1 1 A 107 107 THR CA C 107 59.611 60.169 -0.558 1 1 1191 . 4 1 1 A 107 107 THR CB C 107 71.146 71.676 -0.530 1 1 1193 . 4 1 1 A 107 107 THR N N 107 111.498 110.634 0.864 1 1 1194 . 4 1 1 A 108 108 ILE H H 108 8.345 8.952 -0.607 1 1 1195 . 4 1 1 A 108 108 ILE HA H 108 3.775 3.695 0.080 1 1 1205 . 4 1 1 A 108 108 ILE CA C 108 62.916 64.206 -1.290 1 1 1206 . 4 1 1 A 108 108 ILE CB C 108 37.737 36.952 0.785 1 1 1210 . 4 1 1 A 108 108 ILE N N 108 117.576 122.248 -4.672 1 1 1211 . 4 1 1 A 109 109 ASP H H 109 7.753 8.087 -0.334 1 1 1212 . 4 1 1 A 109 109 ASP HA H 109 4.564 4.592 -0.028 1 1 1215 . 4 1 1 A 109 109 ASP CA C 109 54.540 56.261 -1.721 1 1 1216 . 4 1 1 A 109 109 ASP CB C 109 41.360 41.467 -0.107 1 1 1217 . 4 1 1 A 109 109 ASP N N 109 116.045 120.394 -4.349 1 1 1218 . 4 1 1 A 110 110 ASN H H 110 7.719 8.025 -0.306 1 1 1219 . 4 1 1 A 110 110 ASN HA H 110 4.723 5.050 -0.327 1 1 1224 . 4 1 1 A 110 110 ASN CA C 110 53.036 51.858 1.178 1 1 1225 . 4 1 1 A 110 110 ASN CB C 110 38.443 39.867 -1.424 1 1 1226 . 4 1 1 A 110 110 ASN N N 110 119.075 112.848 6.227 1 1 1228 . 4 1 1 A 111 111 PHE H H 111 7.977 8.518 -0.541 1 1 1229 . 4 1 1 A 111 111 PHE HA H 111 5.249 5.683 -0.434 1 1 1237 . 4 1 1 A 111 111 PHE CA C 111 56.627 55.150 1.477 1 1 1238 . 4 1 1 A 111 111 PHE CB C 111 40.215 41.961 -1.746 1 1 1242 . 4 1 1 A 111 111 PHE N N 111 122.138 119.673 2.465 1 1 1243 . 4 1 1 A 112 112 GLN H H 112 8.715 8.737 -0.022 1 1 1244 . 4 1 1 A 112 112 GLN HA H 112 4.540 4.681 -0.141 1 1 1251 . 4 1 1 A 112 112 GLN CA C 112 54.035 54.641 -0.606 1 1 1252 . 4 1 1 A 112 112 GLN CB C 112 31.861 30.294 1.567 1 1 1254 . 4 1 1 A 112 112 GLN N N 112 119.575 121.780 -2.205 1 1 1256 . 4 1 1 A 113 113 GLU H H 113 8.546 8.822 -0.276 1 1 1257 . 4 1 1 A 113 113 GLU HA H 113 4.780 4.766 0.014 1 1 1262 . 4 1 1 A 113 113 GLU CA C 113 55.412 56.453 -1.041 1 1 1263 . 4 1 1 A 113 113 GLU CB C 113 29.886 29.608 0.278 1 1 1265 . 4 1 1 A 113 113 GLU N N 113 122.846 124.831 -1.985 1 1 1266 . 4 1 1 A 114 114 ILE H H 114 8.913 8.531 0.382 1 1 1267 . 4 1 1 A 114 114 ILE HA H 114 4.662 4.631 0.031 1 1 1277 . 4 1 1 A 114 114 ILE CA C 114 59.144 59.611 -0.467 1 1 1278 . 4 1 1 A 114 114 ILE CB C 114 41.873 40.370 1.503 1 1 1282 . 4 1 1 A 114 114 ILE N N 114 120.222 120.998 -0.776 1 1 1283 . 4 1 1 A 115 115 ASN H H 115 8.916 8.787 0.129 1 1 1284 . 4 1 1 A 115 115 ASN HA H 115 4.340 4.192 0.148 1 1 1289 . 4 1 1 A 115 115 ASN CA C 115 53.444 54.163 -0.719 1 1 1290 . 4 1 1 A 115 115 ASN CB C 115 36.467 37.165 -0.698 1 1 1291 . 4 1 1 A 115 115 ASN N N 115 120.916 118.844 2.072 1 1 1293 . 4 1 1 A 116 116 VAL H H 116 8.044 7.846 0.198 1 1 1294 . 4 1 1 A 116 116 VAL HA H 116 4.389 4.670 -0.281 1 1 1302 . 4 1 1 A 116 116 VAL CA C 116 63.183 60.803 2.380 1 1 1303 . 4 1 1 A 116 116 VAL CB C 116 32.216 32.930 -0.714 1 1 1306 . 4 1 1 A 116 116 VAL N N 116 117.046 118.557 -1.511 1 1 1307 . 4 1 1 A 117 117 GLN H H 117 8.582 8.570 0.012 1 1 1308 . 4 1 1 A 117 117 GLN HA H 117 4.550 4.917 -0.367 1 1 1315 . 4 1 1 A 117 117 GLN CA C 117 53.827 53.417 0.410 1 1 1316 . 4 1 1 A 117 117 GLN CB C 117 33.119 32.102 1.017 1 1 1318 . 4 1 1 A 117 117 GLN N N 117 127.086 126.371 0.715 1 1 1320 . 4 1 1 A 118 118 ASN H H 118 8.330 8.646 -0.316 1 1 1321 . 4 1 1 A 118 118 ASN HA H 118 5.845 5.785 0.060 1 1 1326 . 4 1 1 A 118 118 ASN CA C 118 51.736 51.451 0.285 1 1 1327 . 4 1 1 A 118 118 ASN CB C 118 42.644 41.137 1.507 1 1 1328 . 4 1 1 A 118 118 ASN N N 118 113.251 118.676 -5.425 1 1 1330 . 4 1 1 A 119 119 GLN H H 119 9.187 8.825 0.362 1 1 1331 . 4 1 1 A 119 119 GLN HA H 119 4.693 4.788 -0.095 1 1 1338 . 4 1 1 A 119 119 GLN CA C 119 55.160 54.934 0.226 1 1 1339 . 4 1 1 A 119 119 GLN CB C 119 34.157 33.419 0.738 1 1 1341 . 4 1 1 A 119 119 GLN N N 119 116.799 119.262 -2.463 1 1 1343 . 4 1 1 A 120 120 LEU H H 120 8.544 8.727 -0.183 1 1 1344 . 4 1 1 A 120 120 LEU HA H 120 5.059 5.079 -0.020 1 1 1354 . 4 1 1 A 120 120 LEU CA C 120 54.327 53.854 0.473 1 1 1355 . 4 1 1 A 120 120 LEU CB C 120 42.839 43.716 -0.877 1 1 1359 . 4 1 1 A 120 120 LEU N N 120 123.292 125.594 -2.302 1 1 1360 . 4 1 1 A 121 121 ILE H H 121 8.657 9.290 -0.633 1 1 1361 . 4 1 1 A 121 121 ILE HA H 121 4.778 4.933 -0.155 1 1 1371 . 4 1 1 A 121 121 ILE CA C 121 58.770 60.056 -1.286 1 1 1372 . 4 1 1 A 121 121 ILE CB C 121 41.582 39.562 2.020 1 1 1376 . 4 1 1 A 121 121 ILE N N 121 116.046 122.334 -6.288 1 1 1377 . 4 1 1 A 122 122 ASN H H 122 8.329 8.966 -0.637 1 1 1378 . 4 1 1 A 122 122 ASN HA H 122 5.068 5.261 -0.193 1 1 1383 . 4 1 1 A 122 122 ASN CA C 122 52.654 52.239 0.415 1 1 1384 . 4 1 1 A 122 122 ASN CB C 122 42.112 38.937 3.175 1 1 1385 . 4 1 1 A 122 122 ASN N N 122 118.416 126.231 -7.815 1 1 1387 . 4 1 1 A 123 123 ALA H H 123 8.547 8.498 0.049 1 1 1388 . 4 1 1 A 123 123 ALA HA H 123 4.597 4.732 -0.135 1 1 1392 . 4 1 1 A 123 123 ALA CA C 123 48.537 49.465 -0.928 1 1 1393 . 4 1 1 A 123 123 ALA CB C 123 19.998 19.710 0.288 1 1 1394 . 4 1 1 A 123 123 ALA N N 123 124.108 127.561 -3.453 1 1 1395 . 4 1 1 A 124 124 PRO HA H 124 4.537 4.480 0.057 1 1 1402 . 4 1 1 A 124 124 PRO CA C 124 60.979 62.277 -1.298 1 1 1403 . 4 1 1 A 124 124 PRO CB C 124 32.285 32.291 -0.006 1 1 1406 . 4 1 1 A 125 125 ALA H H 125 8.587 8.253 0.334 1 1 1407 . 4 1 1 A 125 125 ALA HA H 125 3.899 4.560 -0.661 1 1 1411 . 4 1 1 A 125 125 ALA CA C 125 52.692 51.919 0.773 1 1 1412 . 4 1 1 A 125 125 ALA CB C 125 18.631 19.618 -0.987 1 1 1413 . 4 1 1 A 125 125 ALA N N 125 121.333 123.891 -2.558 1 1 1414 . 4 1 1 A 126 126 SER H H 126 8.227 9.112 -0.885 1 1 1415 . 4 1 1 A 126 126 SER HA H 126 4.616 4.400 0.216 1 1 1418 . 4 1 1 A 126 126 SER CA C 126 59.168 58.589 0.579 1 1 1419 . 4 1 1 A 126 126 SER CB C 126 64.636 61.554 3.082 1 1 1420 . 4 1 1 A 126 126 SER N N 126 118.947 118.012 0.935 1 1 1421 . 4 1 1 A 127 127 VAL H H 127 8.595 8.278 0.317 1 1 1422 . 4 1 1 A 127 127 VAL HA H 127 4.276 3.954 0.322 1 1 1430 . 4 1 1 A 127 127 VAL CA C 127 62.194 64.799 -2.605 1 1 1431 . 4 1 1 A 127 127 VAL CB C 127 32.852 32.246 0.606 1 1 1434 . 4 1 1 A 127 127 VAL N N 127 117.209 127.999 -10.790 1 1 1435 . 4 1 1 A 128 128 LEU H H 128 7.844 7.672 0.172 1 1 1436 . 4 1 1 A 128 128 LEU HA H 128 4.588 4.873 -0.285 1 1 1446 . 4 1 1 A 128 128 LEU CA C 128 53.639 52.977 0.662 1 1 1447 . 4 1 1 A 128 128 LEU CB C 128 44.574 43.876 0.698 1 1 1451 . 4 1 1 A 128 128 LEU N N 128 121.103 118.065 3.038 1 1 1452 . 4 1 1 A 129 129 ALA H H 129 8.377 8.655 -0.278 1 1 1453 . 4 1 1 A 129 129 ALA HA H 129 4.538 4.621 -0.083 1 1 1457 . 4 1 1 A 129 129 ALA CA C 129 53.476 50.608 2.868 1 1 1458 . 4 1 1 A 129 129 ALA CB C 129 20.982 18.448 2.534 1 1 1459 . 4 1 1 A 129 129 ALA N N 129 123.679 126.691 -3.012 1 1 1460 . 4 1 1 A 130 130 PRO HA H 130 4.669 4.621 0.048 1 1 1467 . 4 1 1 A 130 130 PRO CA C 130 62.314 62.392 -0.078 1 1 1468 . 4 1 1 A 130 130 PRO CB C 130 33.473 32.803 0.670 1 1 1471 . 4 1 1 A 131 131 SER H H 131 9.365 8.525 0.840 1 1 1472 . 4 1 1 A 131 131 SER HA H 131 4.520 4.606 -0.086 1 1 1475 . 4 1 1 A 131 131 SER CA C 131 59.385 57.594 1.791 1 1 1476 . 4 1 1 A 131 131 SER CB C 131 63.866 61.712 2.154 1 1 1477 . 4 1 1 A 131 131 SER N N 131 122.226 116.631 5.595 1 1 1478 . 4 1 1 A 132 132 ASP H H 132 8.608 8.656 -0.048 1 1 1479 . 4 1 1 A 132 132 ASP HA H 132 5.260 5.130 0.130 1 1 1482 . 4 1 1 A 132 132 ASP CA C 132 53.345 53.443 -0.098 1 1 1483 . 4 1 1 A 132 132 ASP CB C 132 41.791 41.403 0.388 1 1 1484 . 4 1 1 A 132 132 ASP N N 132 124.814 126.345 -1.531 1 1 1485 . 4 1 1 A 133 133 VAL H H 133 9.405 9.297 0.108 1 1 1486 . 4 1 1 A 133 133 VAL HA H 133 4.226 4.684 -0.458 1 1 1494 . 4 1 1 A 133 133 VAL CA C 133 61.669 61.655 0.014 1 1 1495 . 4 1 1 A 133 133 VAL CB C 133 34.448 33.741 0.707 1 1 1498 . 4 1 1 A 133 133 VAL N N 133 127.192 125.348 1.844 1 1 1499 . 4 1 1 A 134 134 ASP H H 134 8.468 8.870 -0.402 1 1 1500 . 4 1 1 A 134 134 ASP HA H 134 5.368 5.790 -0.422 1 1 1503 . 4 1 1 A 134 134 ASP CA C 134 52.326 52.249 0.077 1 1 1504 . 4 1 1 A 134 134 ASP CB C 134 41.245 42.934 -1.689 1 1 1505 . 4 1 1 A 134 134 ASP N N 134 127.161 126.321 0.840 1 1 1506 . 4 1 1 A 135 135 ILE H H 135 9.406 8.905 0.501 1 1 1507 . 4 1 1 A 135 135 ILE HA H 135 4.636 4.896 -0.260 1 1 1517 . 4 1 1 A 135 135 ILE CA C 135 57.478 57.000 0.478 1 1 1518 . 4 1 1 A 135 135 ILE CB C 135 39.411 40.260 -0.849 1 1 1522 . 4 1 1 A 135 135 ILE N N 135 125.603 118.858 6.745 1 1 1523 . 4 1 1 A 136 136 PRO HA H 136 4.844 4.728 0.116 1 1 1530 . 4 1 1 A 136 136 PRO CA C 136 62.314 62.541 -0.227 1 1 1531 . 4 1 1 A 136 136 PRO CB C 136 31.563 32.852 -1.289 1 1 1534 . 4 1 1 A 137 137 LEU H H 137 9.196 8.719 0.477 1 1 1535 . 4 1 1 A 137 137 LEU HA H 137 4.739 4.694 0.045 1 1 1545 . 4 1 1 A 137 137 LEU CA C 137 53.609 54.299 -0.690 1 1 1546 . 4 1 1 A 137 137 LEU CB C 137 45.473 43.723 1.750 1 1 1550 . 4 1 1 A 137 137 LEU N N 137 124.087 122.468 1.619 1 1 1551 . 4 1 1 A 138 138 GLN H H 138 8.928 8.752 0.176 1 1 1552 . 4 1 1 A 138 138 GLN HA H 138 4.581 4.493 0.088 1 1 1559 . 4 1 1 A 138 138 GLN CA C 138 54.780 55.076 -0.296 1 1 1560 . 4 1 1 A 138 138 GLN CB C 138 29.048 28.449 0.599 1 1 1562 . 4 1 1 A 138 138 GLN N N 138 122.528 125.400 -2.872 1 1 1564 . 4 1 1 A 139 139 LEU H H 139 9.039 8.743 0.296 1 1 1565 . 4 1 1 A 139 139 LEU HA H 139 4.205 4.389 -0.184 1 1 1575 . 4 1 1 A 139 139 LEU CA C 139 52.367 54.300 -1.933 1 1 1576 . 4 1 1 A 139 139 LEU CB C 139 38.673 40.917 -2.244 1 1 1580 . 4 1 1 A 139 139 LEU N N 139 127.667 127.185 0.482 1 1 1581 . 4 1 1 A 140 140 LYS H H 140 8.078 8.758 -0.680 1 1 1582 . 4 1 1 A 140 140 LYS HA H 140 4.352 4.636 -0.284 1 1 1591 . 4 1 1 A 140 140 LYS CA C 140 56.826 55.965 0.861 1 1 1592 . 4 1 1 A 140 140 LYS CB C 140 32.657 33.378 -0.721 1 1 1596 . 4 1 1 A 140 140 LYS N N 140 124.108 123.579 0.529 1 1 1597 . 4 1 1 A 141 141 GLY H H 141 9.166 8.810 0.356 1 1 1598 . 4 1 1 A 141 141 GLY HA2 H 141 3.788 3.967 -0.179 1 1 1599 . 4 1 1 A 141 141 GLY HA3 H 141 4.119 3.980 0.139 1 1 1600 . 4 1 1 A 141 141 GLY CA C 141 45.682 45.662 0.020 1 1 1601 . 4 1 1 A 141 141 GLY N N 141 110.698 111.623 -0.925 1 1 1602 . 4 1 1 A 142 142 ILE H H 142 7.112 7.871 -0.759 1 1 1603 . 4 1 1 A 142 142 ILE HA H 142 4.600 4.813 -0.213 1 1 1613 . 4 1 1 A 142 142 ILE CA C 142 58.547 59.503 -0.956 1 1 1614 . 4 1 1 A 142 142 ILE CB C 142 40.437 41.679 -1.242 1 1 1618 . 4 1 1 A 142 142 ILE N N 142 117.928 120.707 -2.779 1 1 1619 . 4 1 1 A 143 143 SER H H 143 8.381 9.024 -0.643 1 1 1620 . 4 1 1 A 143 143 SER HA H 143 4.613 4.704 -0.091 1 1 1623 . 4 1 1 A 143 143 SER CA C 143 56.654 57.979 -1.325 1 1 1624 . 4 1 1 A 143 143 SER CB C 143 65.051 64.808 0.243 1 1 1625 . 4 1 1 A 143 143 SER N N 143 123.373 124.645 -1.272 1 1 1626 . 4 1 1 A 144 144 VAL H H 144 8.702 8.611 0.091 1 1 1627 . 4 1 1 A 144 144 VAL HA H 144 3.593 3.883 -0.290 1 1 1635 . 4 1 1 A 144 144 VAL CA C 144 65.655 65.096 0.559 1 1 1636 . 4 1 1 A 144 144 VAL CB C 144 31.434 31.756 -0.322 1 1 1639 . 4 1 1 A 144 144 VAL N N 144 120.791 126.127 -5.336 1 1 1640 . 4 1 1 A 145 145 ASP H H 145 8.151 8.145 0.006 1 1 1641 . 4 1 1 A 145 145 ASP HA H 145 4.435 4.443 -0.008 1 1 1644 . 4 1 1 A 145 145 ASP CA C 145 55.211 56.417 -1.206 1 1 1645 . 4 1 1 A 145 145 ASP CB C 145 40.268 40.706 -0.438 1 1 1646 . 4 1 1 A 145 145 ASP N N 145 115.698 120.933 -5.235 1 1 1647 . 4 1 1 A 146 146 GLN H H 146 7.553 7.741 -0.188 1 1 1648 . 4 1 1 A 146 146 GLN HA H 146 4.302 4.413 -0.111 1 1 1655 . 4 1 1 A 146 146 GLN CA C 146 55.072 55.093 -0.021 1 1 1656 . 4 1 1 A 146 146 GLN CB C 146 29.990 29.691 0.299 1 1 1658 . 4 1 1 A 146 146 GLN N N 146 117.118 116.013 1.105 1 1 1660 . 4 1 1 A 147 147 LEU H H 147 7.368 7.619 -0.251 1 1 1661 . 4 1 1 A 147 147 LEU HA H 147 4.119 4.458 -0.339 1 1 1671 . 4 1 1 A 147 147 LEU CA C 147 54.904 54.374 0.530 1 1 1672 . 4 1 1 A 147 147 LEU CB C 147 40.355 41.054 -0.699 1 1 1676 . 4 1 1 A 147 147 LEU N N 147 121.541 121.808 -0.267 1 1 1677 . 4 1 1 A 148 148 GLY H H 148 8.791 8.846 -0.055 1 1 1678 . 4 1 1 A 148 148 GLY HA2 H 148 4.512 3.981 0.531 1 1 1679 . 4 1 1 A 148 148 GLY HA3 H 148 3.997 4.047 -0.050 1 1 1680 . 4 1 1 A 148 148 GLY CA C 148 45.610 46.557 -0.947 1 1 1681 . 4 1 1 A 148 148 GLY N N 148 116.322 113.081 3.241 1 1 1682 . 4 1 1 A 149 149 PHE H H 149 7.790 7.667 0.123 1 1 1683 . 4 1 1 A 149 149 PHE HA H 149 5.215 5.058 0.157 1 1 1691 . 4 1 1 A 149 149 PHE CA C 149 56.942 56.477 0.465 1 1 1692 . 4 1 1 A 149 149 PHE CB C 149 42.019 41.408 0.611 1 1 1696 . 4 1 1 A 149 149 PHE N N 149 113.675 113.108 0.567 1 1 1697 . 4 1 1 A 150 150 VAL H H 150 8.549 9.009 -0.460 1 1 1698 . 4 1 1 A 150 150 VAL HA H 150 4.776 4.621 0.155 1 1 1706 . 4 1 1 A 150 150 VAL CA C 150 61.068 61.563 -0.495 1 1 1707 . 4 1 1 A 150 150 VAL CB C 150 34.594 33.558 1.036 1 1 1710 . 4 1 1 A 150 150 VAL N N 150 118.208 120.483 -2.275 1 1 1711 . 4 1 1 A 151 151 ARG H H 151 9.953 9.234 0.719 1 1 1712 . 4 1 1 A 151 151 ARG HA H 151 5.783 5.149 0.634 1 1 1719 . 4 1 1 A 151 151 ARG CA C 151 53.530 55.860 -2.330 1 1 1720 . 4 1 1 A 151 151 ARG CB C 151 33.540 31.191 2.349 1 1 1723 . 4 1 1 A 151 151 ARG N N 151 128.446 128.715 -0.269 1 1 1724 . 4 1 1 A 152 152 ILE H H 152 8.905 8.864 0.041 1 1 1725 . 4 1 1 A 152 152 ILE HA H 152 5.188 4.986 0.202 1 1 1735 . 4 1 1 A 152 152 ILE CA C 152 60.464 60.650 -0.186 1 1 1736 . 4 1 1 A 152 152 ILE CB C 152 39.542 38.981 0.561 1 1 1740 . 4 1 1 A 152 152 ILE N N 152 127.149 129.040 -1.891 1 1 1741 . 4 1 1 A 153 153 HIS H H 153 8.941 8.492 0.449 1 1 1742 . 4 1 1 A 153 153 HIS HA H 153 5.074 4.942 0.132 1 1 1747 . 4 1 1 A 153 153 HIS CA C 153 53.417 54.804 -1.387 1 1 1748 . 4 1 1 A 153 153 HIS CB C 153 31.734 32.086 -0.352 1 1 1751 . 4 1 1 A 153 153 HIS N N 153 119.132 122.895 -3.763 1 1 1752 . 4 1 1 A 154 154 ASP H H 154 9.109 9.254 -0.145 1 1 1753 . 4 1 1 A 154 154 ASP HA H 154 4.276 4.218 0.058 1 1 1756 . 4 1 1 A 154 154 ASP CA C 154 55.630 55.207 0.423 1 1 1757 . 4 1 1 A 154 154 ASP CB C 154 39.450 40.360 -0.910 1 1 1758 . 4 1 1 A 154 154 ASP N N 154 116.420 119.109 -2.689 1 1 1759 . 4 1 1 A 155 155 ILE H H 155 8.062 8.005 0.057 1 1 1760 . 4 1 1 A 155 155 ILE HA H 155 5.051 4.088 0.963 1 1 1770 . 4 1 1 A 155 155 ILE CA C 155 59.666 61.367 -1.701 1 1 1771 . 4 1 1 A 155 155 ILE CB C 155 35.757 36.577 -0.820 1 1 1775 . 4 1 1 A 155 155 ILE N N 155 119.131 119.714 -0.583 1 1 1776 . 4 1 1 A 156 156 GLN H H 156 9.011 8.434 0.577 1 1 1777 . 4 1 1 A 156 156 GLN HA H 156 4.993 5.033 -0.040 1 1 1784 . 4 1 1 A 156 156 GLN CA C 156 51.975 53.064 -1.089 1 1 1785 . 4 1 1 A 156 156 GLN CB C 156 31.210 30.901 0.309 1 1 1787 . 4 1 1 A 156 156 GLN N N 156 127.177 125.862 1.315 1 1 1789 . 4 1 1 A 157 157 PRO HA H 157 4.964 4.826 0.138 1 1 1796 . 4 1 1 A 157 157 PRO CA C 157 61.770 62.548 -0.778 1 1 1797 . 4 1 1 A 157 157 PRO CB C 157 31.637 32.609 -0.972 1 1 1800 . 4 1 1 A 158 158 VAL H H 158 7.921 8.180 -0.259 1 1 1801 . 4 1 1 A 158 158 VAL HA H 158 4.107 4.331 -0.224 1 1 1809 . 4 1 1 A 158 158 VAL CA C 158 62.234 61.093 1.141 1 1 1810 . 4 1 1 A 158 158 VAL CB C 158 32.610 31.671 0.939 1 1 1813 . 4 1 1 A 158 158 VAL N N 158 121.642 116.016 5.626 1 1 1814 . 4 1 1 A 159 159 MET H H 159 8.544 7.666 0.878 1 1 1815 . 4 1 1 A 159 159 MET HA H 159 4.548 4.880 -0.332 1 1 1820 . 4 1 1 A 159 159 MET CA C 159 54.731 53.975 0.756 1 1 1821 . 4 1 1 A 159 159 MET CB C 159 32.547 37.002 -4.455 1 1 1823 . 4 1 1 A 159 159 MET N N 159 124.452 121.286 3.166 1 1 1824 . 4 1 1 A 160 160 GLN H H 160 8.434 8.461 -0.027 1 1 1825 . 4 1 1 A 160 160 GLN HA H 160 4.354 4.610 -0.256 1 1 1832 . 4 1 1 A 160 160 GLN CA C 160 55.399 55.807 -0.408 1 1 1833 . 4 1 1 A 160 160 GLN CB C 160 29.112 29.575 -0.463 1 1 1835 . 4 1 1 A 160 160 GLN N N 160 121.917 120.466 1.451 1 1 1837 . 4 1 1 A 161 161 LEU H H 161 8.325 8.959 -0.634 1 1 1838 . 4 1 1 A 161 161 LEU HA H 161 4.314 5.236 -0.922 1 1 1848 . 4 1 1 A 161 161 LEU CA C 161 55.040 52.679 2.361 1 1 1849 . 4 1 1 A 161 161 LEU CB C 161 42.225 45.846 -3.621 1 1 1853 . 4 1 1 A 161 161 LEU N N 161 123.826 121.829 1.997 1 1 1854 . 4 1 1 A 162 162 GLU H H 162 8.358 8.606 -0.248 1 1 1855 . 4 1 1 A 162 162 GLU HA H 162 4.216 5.019 -0.803 1 1 1860 . 4 1 1 A 162 162 GLU CA C 162 56.343 55.226 1.117 1 1 1861 . 4 1 1 A 162 162 GLU CB C 162 30.083 32.496 -2.413 1 1 1863 . 4 1 1 A 162 162 GLU N N 162 121.293 120.267 1.026 1 1 1864 . 4 1 1 A 163 163 HIS H H 163 8.376 8.986 -0.610 1 1 1865 . 4 1 1 A 163 163 HIS HA H 163 4.641 4.831 -0.190 1 1 1868 . 4 1 1 A 163 163 HIS CA C 163 55.437 55.988 -0.551 1 1 1869 . 4 1 1 A 163 163 HIS CB C 163 29.412 31.840 -2.428 1 1 1870 . 4 1 1 A 163 163 HIS N N 163 121.307 121.860 -0.553 1 1 1871 . 4 1 1 A 164 164 HIS H H 164 8.289 9.094 -0.805 1 1 1872 . 4 1 1 A 164 164 HIS N N 164 125.228 127.769 -2.541 1 1 1873 . 4 1 1 A 166 166 HIS HA H 166 4.300 5.036 -0.736 1 1 1876 . 4 1 1 A 166 166 HIS CA C 166 55.708 54.270 1.438 1 1 1877 . 4 1 1 A 166 166 HIS CB C 166 29.207 29.390 -0.183 1 1 1878 . 4 1 1 A 167 167 HIS H H 167 8.591 8.742 -0.151 1 1 1879 . 4 1 1 A 167 167 HIS HA H 167 4.541 4.314 0.227 1 1 1882 . 4 1 1 A 167 167 HIS CA C 167 54.678 57.812 -3.134 1 1 1883 . 4 1 1 A 167 167 HIS CB C 167 26.256 30.491 -4.235 1 1 1884 . 4 1 1 A 167 167 HIS N N 167 121.317 125.958 -4.641 1 1 1 . 5 1 1 A 2 2 VAL HA H 2 3.850 4.416 -0.566 1 1 9 . 5 1 1 A 2 2 VAL CA C 2 61.400 61.423 -0.023 1 1 10 . 5 1 1 A 2 2 VAL CB C 2 32.400 32.792 -0.392 1 1 13 . 5 1 1 A 3 3 GLN HA H 3 4.445 5.151 -0.706 1 1 18 . 5 1 1 A 3 3 GLN CA C 3 55.467 54.007 1.460 1 1 19 . 5 1 1 A 3 3 GLN CB C 3 29.271 31.755 -2.484 1 1 21 . 5 1 1 A 4 4 GLN H H 4 8.703 8.767 -0.064 1 1 22 . 5 1 1 A 4 4 GLN HA H 4 4.356 4.657 -0.301 1 1 27 . 5 1 1 A 4 4 GLN CA C 4 55.961 54.070 1.891 1 1 28 . 5 1 1 A 4 4 GLN CB C 4 29.178 29.903 -0.725 1 1 30 . 5 1 1 A 4 4 GLN N N 4 123.281 124.957 -1.676 1 1 31 . 5 1 1 A 5 5 SER H H 5 8.426 8.732 -0.306 1 1 32 . 5 1 1 A 5 5 SER HA H 5 4.424 4.436 -0.012 1 1 35 . 5 1 1 A 5 5 SER CA C 5 58.498 58.498 0.000 1 1 36 . 5 1 1 A 5 5 SER CB C 5 63.534 63.991 -0.457 1 1 37 . 5 1 1 A 5 5 SER N N 5 116.845 115.028 1.817 1 1 38 . 5 1 1 A 6 6 GLU H H 6 8.434 8.532 -0.098 1 1 39 . 5 1 1 A 6 6 GLU HA H 6 4.342 4.666 -0.324 1 1 44 . 5 1 1 A 6 6 GLU CA C 6 56.410 55.912 0.498 1 1 45 . 5 1 1 A 6 6 GLU CB C 6 29.873 29.917 -0.044 1 1 47 . 5 1 1 A 6 6 GLU N N 6 122.965 124.401 -1.436 1 1 48 . 5 1 1 A 7 7 VAL H H 7 8.131 8.857 -0.726 1 1 49 . 5 1 1 A 7 7 VAL HA H 7 4.063 4.966 -0.903 1 1 57 . 5 1 1 A 7 7 VAL CA C 7 62.213 59.287 2.926 1 1 58 . 5 1 1 A 7 7 VAL CB C 7 32.391 35.796 -3.405 1 1 61 . 5 1 1 A 7 7 VAL N N 7 121.508 117.190 4.318 1 1 62 . 5 1 1 A 8 8 ARG H H 8 8.376 8.838 -0.462 1 1 63 . 5 1 1 A 8 8 ARG HA H 8 4.335 4.798 -0.463 1 1 70 . 5 1 1 A 8 8 ARG CA C 8 56.013 54.754 1.259 1 1 71 . 5 1 1 A 8 8 ARG CB C 8 30.528 33.970 -3.442 1 1 74 . 5 1 1 A 8 8 ARG N N 8 124.504 122.875 1.629 1 1 75 . 5 1 1 A 9 9 GLN H H 9 8.360 8.641 -0.281 1 1 76 . 5 1 1 A 9 9 GLN HA H 9 4.353 4.533 -0.180 1 1 81 . 5 1 1 A 9 9 GLN CA C 9 55.446 56.049 -0.603 1 1 82 . 5 1 1 A 9 9 GLN CB C 9 29.236 29.215 0.021 1 1 84 . 5 1 1 A 9 9 GLN N N 9 121.537 126.405 -4.868 1 1 85 . 5 1 1 A 10 10 MET H H 10 8.391 8.989 -0.598 1 1 86 . 5 1 1 A 10 10 MET HA H 10 4.459 5.013 -0.554 1 1 91 . 5 1 1 A 10 10 MET CA C 10 55.062 54.135 0.927 1 1 92 . 5 1 1 A 10 10 MET CB C 10 32.482 34.577 -2.095 1 1 94 . 5 1 1 A 10 10 MET N N 10 122.199 125.613 -3.414 1 1 95 . 5 1 1 A 11 11 LYS H H 11 8.317 8.552 -0.235 1 1 96 . 5 1 1 A 11 11 LYS HA H 11 4.296 4.799 -0.503 1 1 105 . 5 1 1 A 11 11 LYS CA C 11 56.114 55.348 0.766 1 1 106 . 5 1 1 A 11 11 LYS CB C 11 32.372 36.038 -3.666 1 1 110 . 5 1 1 A 11 11 LYS N N 11 122.440 124.071 -1.631 1 1 111 . 5 1 1 A 12 12 HIS H H 12 8.489 8.659 -0.170 1 1 112 . 5 1 1 A 12 12 HIS HA H 12 4.748 5.796 -1.048 1 1 116 . 5 1 1 A 12 12 HIS CA C 12 55.052 53.072 1.980 1 1 117 . 5 1 1 A 12 12 HIS CB C 12 29.094 33.360 -4.266 1 1 119 . 5 1 1 A 12 12 HIS N N 12 119.934 123.723 -3.789 1 1 120 . 5 1 1 A 13 13 SER H H 13 8.401 8.976 -0.575 1 1 121 . 5 1 1 A 13 13 SER HA H 13 4.518 4.833 -0.315 1 1 124 . 5 1 1 A 13 13 SER CA C 13 57.855 55.672 2.183 1 1 125 . 5 1 1 A 13 13 SER CB C 13 63.750 65.353 -1.603 1 1 126 . 5 1 1 A 13 13 SER N N 13 117.596 115.405 2.191 1 1 127 . 5 1 1 A 14 14 VAL H H 14 8.285 8.728 -0.443 1 1 128 . 5 1 1 A 14 14 VAL HA H 14 4.239 4.745 -0.506 1 1 136 . 5 1 1 A 14 14 VAL CA C 14 62.078 60.137 1.941 1 1 137 . 5 1 1 A 14 14 VAL CB C 14 32.564 35.427 -2.863 1 1 140 . 5 1 1 A 14 14 VAL N N 14 121.378 122.053 -0.675 1 1 141 . 5 1 1 A 15 15 SER H H 15 8.419 8.709 -0.290 1 1 142 . 5 1 1 A 15 15 SER HA H 15 4.556 5.264 -0.708 1 1 145 . 5 1 1 A 15 15 SER CA C 15 57.855 57.189 0.666 1 1 146 . 5 1 1 A 15 15 SER CB C 15 63.600 65.929 -2.329 1 1 147 . 5 1 1 A 15 15 SER N N 15 119.022 124.479 -5.457 1 1 148 . 5 1 1 A 16 16 THR H H 16 8.189 8.579 -0.390 1 1 149 . 5 1 1 A 16 16 THR HA H 16 4.362 5.087 -0.725 1 1 154 . 5 1 1 A 16 16 THR CA C 16 61.510 59.819 1.691 1 1 155 . 5 1 1 A 16 16 THR CB C 16 69.292 71.361 -2.069 1 1 157 . 5 1 1 A 16 16 THR N N 16 116.040 114.667 1.373 1 1 158 . 5 1 1 A 17 17 LEU H H 17 8.168 8.619 -0.451 1 1 159 . 5 1 1 A 17 17 LEU HA H 17 4.331 4.786 -0.455 1 1 169 . 5 1 1 A 17 17 LEU CA C 17 55.446 53.728 1.718 1 1 170 . 5 1 1 A 17 17 LEU CB C 17 42.032 43.073 -1.041 1 1 174 . 5 1 1 A 17 17 LEU N N 17 123.796 121.371 2.425 1 1 175 . 5 1 1 A 18 18 ASN H H 18 8.406 8.706 -0.300 1 1 176 . 5 1 1 A 18 18 ASN HA H 18 4.685 5.049 -0.364 1 1 181 . 5 1 1 A 18 18 ASN CA C 18 53.276 52.393 0.883 1 1 182 . 5 1 1 A 18 18 ASN CB C 18 38.462 40.423 -1.961 1 1 183 . 5 1 1 A 18 18 ASN N N 18 119.197 120.985 -1.788 1 1 185 . 5 1 1 A 19 19 GLN H H 19 8.346 8.622 -0.276 1 1 186 . 5 1 1 A 19 19 GLN HA H 19 4.319 4.538 -0.219 1 1 193 . 5 1 1 A 19 19 GLN CA C 19 56.075 54.825 1.250 1 1 194 . 5 1 1 A 19 19 GLN CB C 19 29.077 29.987 -0.910 1 1 196 . 5 1 1 A 19 19 GLN N N 19 120.620 122.611 -1.991 1 1 198 . 5 1 1 A 20 20 GLU H H 20 8.474 8.576 -0.102 1 1 199 . 5 1 1 A 20 20 GLU HA H 20 4.269 4.489 -0.220 1 1 204 . 5 1 1 A 20 20 GLU CA C 20 56.932 56.800 0.132 1 1 205 . 5 1 1 A 20 20 GLU CB C 20 29.694 30.591 -0.897 1 1 207 . 5 1 1 A 20 20 GLU N N 20 121.410 122.549 -1.139 1 1 208 . 5 1 1 A 21 21 MET H H 21 8.366 8.774 -0.408 1 1 209 . 5 1 1 A 21 21 MET HA H 21 4.538 4.972 -0.434 1 1 214 . 5 1 1 A 21 21 MET CA C 21 55.812 54.315 1.497 1 1 215 . 5 1 1 A 21 21 MET CB C 21 32.188 36.349 -4.161 1 1 217 . 5 1 1 A 21 21 MET N N 21 120.618 124.099 -3.481 1 1 218 . 5 1 1 A 22 22 THR H H 22 8.127 8.685 -0.558 1 1 219 . 5 1 1 A 22 22 THR HA H 22 4.299 4.334 -0.035 1 1 224 . 5 1 1 A 22 22 THR CA C 22 62.287 62.343 -0.056 1 1 225 . 5 1 1 A 22 22 THR CB C 22 69.174 69.866 -0.692 1 1 227 . 5 1 1 A 22 22 THR N N 22 114.858 113.443 1.415 1 1 228 . 5 1 1 A 23 23 GLN H H 23 8.342 8.425 -0.083 1 1 229 . 5 1 1 A 23 23 GLN HA H 23 4.339 4.186 0.153 1 1 236 . 5 1 1 A 23 23 GLN CA C 23 56.148 56.390 -0.242 1 1 237 . 5 1 1 A 23 23 GLN CB C 23 29.112 28.719 0.393 1 1 239 . 5 1 1 A 23 23 GLN N N 23 122.047 123.281 -1.234 1 1 241 . 5 1 1 A 24 24 LEU H H 24 8.174 8.636 -0.462 1 1 242 . 5 1 1 A 24 24 LEU HA H 24 4.334 4.407 -0.073 1 1 252 . 5 1 1 A 24 24 LEU CA C 24 55.519 54.585 0.934 1 1 253 . 5 1 1 A 24 24 LEU CB C 24 42.146 43.555 -1.409 1 1 257 . 5 1 1 A 24 24 LEU N N 24 122.328 127.244 -4.916 1 1 258 . 5 1 1 A 25 25 ASN H H 25 8.384 8.579 -0.195 1 1 259 . 5 1 1 A 25 25 ASN HA H 25 4.692 4.674 0.018 1 1 264 . 5 1 1 A 25 25 ASN CA C 25 53.481 53.807 -0.326 1 1 265 . 5 1 1 A 25 25 ASN CB C 25 38.445 38.623 -0.178 1 1 266 . 5 1 1 A 25 25 ASN N N 25 119.262 122.504 -3.242 1 1 268 . 5 1 1 A 26 26 GLN H H 26 8.453 8.631 -0.178 1 1 269 . 5 1 1 A 26 26 GLN HA H 26 4.215 3.941 0.274 1 1 276 . 5 1 1 A 26 26 GLN CA C 26 57.037 59.169 -2.132 1 1 277 . 5 1 1 A 26 26 GLN CB C 26 28.996 28.505 0.491 1 1 279 . 5 1 1 A 26 26 GLN N N 26 120.394 122.281 -1.887 1 1 281 . 5 1 1 A 27 27 GLU H H 27 8.501 8.314 0.187 1 1 282 . 5 1 1 A 27 27 GLU HA H 27 4.202 4.091 0.111 1 1 287 . 5 1 1 A 27 27 GLU CA C 27 58.573 59.125 -0.552 1 1 288 . 5 1 1 A 27 27 GLU CB C 27 29.349 29.290 0.059 1 1 290 . 5 1 1 A 27 27 GLU N N 27 121.130 118.356 2.774 1 1 291 . 5 1 1 A 28 28 THR H H 28 8.032 8.004 0.028 1 1 292 . 5 1 1 A 28 28 THR HA H 28 4.079 4.047 0.032 1 1 297 . 5 1 1 A 28 28 THR CA C 28 64.762 66.482 -1.720 1 1 298 . 5 1 1 A 28 28 THR CB C 28 68.354 68.287 0.067 1 1 300 . 5 1 1 A 28 28 THR N N 28 114.032 116.683 -2.651 1 1 301 . 5 1 1 A 29 29 VAL H H 29 7.969 8.122 -0.153 1 1 302 . 5 1 1 A 29 29 VAL HA H 29 3.812 3.597 0.215 1 1 310 . 5 1 1 A 29 29 VAL CA C 29 65.572 67.263 -1.691 1 1 311 . 5 1 1 A 29 29 VAL CB C 29 31.624 31.465 0.159 1 1 314 . 5 1 1 A 29 29 VAL N N 29 122.215 121.636 0.579 1 1 315 . 5 1 1 A 30 30 LYS H H 30 7.910 7.660 0.250 1 1 316 . 5 1 1 A 30 30 LYS HA H 30 4.175 3.919 0.256 1 1 325 . 5 1 1 A 30 30 LYS CA C 30 57.780 59.960 -2.180 1 1 326 . 5 1 1 A 30 30 LYS CB C 30 31.537 32.337 -0.800 1 1 330 . 5 1 1 A 30 30 LYS N N 30 119.387 118.733 0.654 1 1 331 . 5 1 1 A 31 31 ILE H H 31 8.277 8.007 0.270 1 1 332 . 5 1 1 A 31 31 ILE HA H 31 3.602 3.582 0.020 1 1 342 . 5 1 1 A 31 31 ILE CA C 31 65.712 65.537 0.175 1 1 343 . 5 1 1 A 31 31 ILE CB C 31 38.559 37.834 0.725 1 1 347 . 5 1 1 A 31 31 ILE N N 31 121.053 120.709 0.344 1 1 348 . 5 1 1 A 32 32 THR H H 32 7.896 8.446 -0.550 1 1 349 . 5 1 1 A 32 32 THR HA H 32 4.004 3.789 0.215 1 1 354 . 5 1 1 A 32 32 THR CA C 32 65.922 66.773 -0.851 1 1 355 . 5 1 1 A 32 32 THR CB C 32 68.400 68.716 -0.316 1 1 357 . 5 1 1 A 32 32 THR N N 32 115.554 116.912 -1.358 1 1 358 . 5 1 1 A 33 33 GLN H H 33 8.279 8.232 0.047 1 1 359 . 5 1 1 A 33 33 GLN HA H 33 3.887 3.886 0.001 1 1 366 . 5 1 1 A 33 33 GLN CA C 33 59.052 59.102 -0.050 1 1 367 . 5 1 1 A 33 33 GLN CB C 33 27.889 28.050 -0.161 1 1 369 . 5 1 1 A 33 33 GLN N N 33 120.920 122.113 -1.193 1 1 371 . 5 1 1 A 34 34 GLN H H 34 8.671 8.116 0.555 1 1 372 . 5 1 1 A 34 34 GLN HA H 34 3.615 4.030 -0.415 1 1 379 . 5 1 1 A 34 34 GLN CA C 34 60.424 58.966 1.458 1 1 380 . 5 1 1 A 34 34 GLN CB C 34 30.058 28.509 1.549 1 1 382 . 5 1 1 A 34 34 GLN N N 34 120.388 118.940 1.448 1 1 384 . 5 1 1 A 35 35 ASN H H 35 8.636 8.318 0.318 1 1 385 . 5 1 1 A 35 35 ASN HA H 35 4.595 4.522 0.073 1 1 390 . 5 1 1 A 35 35 ASN CA C 35 55.363 55.971 -0.608 1 1 391 . 5 1 1 A 35 35 ASN CB C 35 36.904 37.709 -0.805 1 1 392 . 5 1 1 A 35 35 ASN N N 35 116.477 118.535 -2.058 1 1 394 . 5 1 1 A 36 36 ARG H H 36 8.321 7.705 0.616 1 1 395 . 5 1 1 A 36 36 ARG HA H 36 4.142 4.083 0.059 1 1 402 . 5 1 1 A 36 36 ARG CA C 36 58.582 59.029 -0.447 1 1 403 . 5 1 1 A 36 36 ARG CB C 36 29.712 29.921 -0.209 1 1 406 . 5 1 1 A 36 36 ARG N N 36 121.347 120.137 1.210 1 1 407 . 5 1 1 A 37 37 LEU H H 37 8.251 7.961 0.290 1 1 408 . 5 1 1 A 37 37 LEU HA H 37 3.788 3.683 0.105 1 1 418 . 5 1 1 A 37 37 LEU CA C 37 57.094 57.699 -0.605 1 1 419 . 5 1 1 A 37 37 LEU CB C 37 40.554 40.534 0.020 1 1 423 . 5 1 1 A 37 37 LEU N N 37 120.862 119.783 1.079 1 1 424 . 5 1 1 A 38 38 ASN H H 38 8.047 8.651 -0.604 1 1 425 . 5 1 1 A 38 38 ASN HA H 38 5.134 4.589 0.545 1 1 430 . 5 1 1 A 38 38 ASN CA C 38 54.413 56.874 -2.461 1 1 431 . 5 1 1 A 38 38 ASN CB C 38 38.069 39.812 -1.743 1 1 432 . 5 1 1 A 38 38 ASN N N 38 115.574 118.112 -2.538 1 1 434 . 5 1 1 A 39 39 ALA H H 39 7.878 7.939 -0.061 1 1 435 . 5 1 1 A 39 39 ALA HA H 39 4.342 4.139 0.203 1 1 439 . 5 1 1 A 39 39 ALA CA C 39 53.981 54.423 -0.442 1 1 440 . 5 1 1 A 39 39 ALA CB C 39 18.340 18.516 -0.176 1 1 441 . 5 1 1 A 39 39 ALA N N 39 123.076 121.240 1.836 1 1 442 . 5 1 1 A 40 40 LYS H H 40 7.431 7.678 -0.247 1 1 443 . 5 1 1 A 40 40 LYS HA H 40 4.528 4.264 0.264 1 1 452 . 5 1 1 A 40 40 LYS CA C 40 55.285 58.296 -3.011 1 1 453 . 5 1 1 A 40 40 LYS CB C 40 32.852 32.693 0.159 1 1 457 . 5 1 1 A 40 40 LYS N N 40 114.889 116.414 -1.525 1 1 458 . 5 1 1 A 41 41 SER H H 41 7.671 7.412 0.259 1 1 459 . 5 1 1 A 41 41 SER HA H 41 4.615 4.491 0.124 1 1 462 . 5 1 1 A 41 41 SER CA C 41 58.189 58.392 -0.203 1 1 463 . 5 1 1 A 41 41 SER CB C 41 63.924 64.540 -0.616 1 1 464 . 5 1 1 A 41 41 SER N N 41 114.795 114.620 0.175 1 1 465 . 5 1 1 A 42 42 SER H H 42 8.927 8.852 0.075 1 1 466 . 5 1 1 A 42 42 SER HA H 42 4.792 4.550 0.242 1 1 469 . 5 1 1 A 42 42 SER CA C 42 58.133 59.385 -1.252 1 1 470 . 5 1 1 A 42 42 SER CB C 42 63.712 64.185 -0.473 1 1 471 . 5 1 1 A 42 42 SER N N 42 120.934 120.386 0.548 1 1 472 . 5 1 1 A 43 43 SER H H 43 8.320 7.410 0.910 1 1 473 . 5 1 1 A 43 43 SER HA H 43 4.654 4.816 -0.162 1 1 476 . 5 1 1 A 43 43 SER CA C 43 57.309 57.306 0.003 1 1 477 . 5 1 1 A 43 43 SER CB C 43 63.151 64.676 -1.525 1 1 478 . 5 1 1 A 43 43 SER N N 43 115.966 113.153 2.813 1 1 479 . 5 1 1 A 44 44 GLY H H 44 8.182 8.462 -0.280 1 1 480 . 5 1 1 A 44 44 GLY HA2 H 44 4.206 4.205 0.001 1 1 481 . 5 1 1 A 44 44 GLY HA3 H 44 4.399 4.249 0.150 1 1 482 . 5 1 1 A 44 44 GLY CA C 44 44.540 44.519 0.021 1 1 483 . 5 1 1 A 44 44 GLY N N 44 110.764 114.753 -3.989 1 1 484 . 5 1 1 A 45 45 VAL H H 45 8.341 8.238 0.103 1 1 485 . 5 1 1 A 45 45 VAL HA H 45 4.845 4.719 0.126 1 1 493 . 5 1 1 A 45 45 VAL CA C 45 58.981 60.884 -1.903 1 1 494 . 5 1 1 A 45 45 VAL CB C 45 35.239 33.017 2.222 1 1 497 . 5 1 1 A 45 45 VAL N N 45 114.116 119.385 -5.269 1 1 498 . 5 1 1 A 46 46 TYR H H 46 10.501 9.102 1.399 1 1 499 . 5 1 1 A 46 46 TYR HA H 46 5.004 5.522 -0.518 1 1 506 . 5 1 1 A 46 46 TYR CA C 46 58.121 57.420 0.701 1 1 507 . 5 1 1 A 46 46 TYR CB C 46 41.382 39.486 1.896 1 1 510 . 5 1 1 A 46 46 TYR N N 46 123.384 124.587 -1.203 1 1 511 . 5 1 1 A 47 47 LEU H H 47 9.364 9.475 -0.111 1 1 512 . 5 1 1 A 47 47 LEU HA H 47 4.695 5.463 -0.768 1 1 522 . 5 1 1 A 47 47 LEU CA C 47 52.769 53.497 -0.728 1 1 523 . 5 1 1 A 47 47 LEU CB C 47 44.689 43.612 1.077 1 1 527 . 5 1 1 A 47 47 LEU N N 47 118.822 124.979 -6.157 1 1 528 . 5 1 1 A 48 48 LEU H H 48 9.128 9.020 0.108 1 1 529 . 5 1 1 A 48 48 LEU HA H 48 5.232 4.908 0.324 1 1 539 . 5 1 1 A 48 48 LEU CA C 48 51.100 51.014 0.086 1 1 540 . 5 1 1 A 48 48 LEU CB C 48 40.141 44.006 -3.865 1 1 544 . 5 1 1 A 48 48 LEU N N 48 123.384 124.892 -1.508 1 1 545 . 5 1 1 A 49 49 PRO HA H 49 4.090 4.297 -0.207 1 1 552 . 5 1 1 A 49 49 PRO CA C 49 64.912 65.234 -0.322 1 1 553 . 5 1 1 A 49 49 PRO CB C 49 31.607 31.820 -0.213 1 1 556 . 5 1 1 A 50 50 GLY H H 50 9.181 8.481 0.700 1 1 557 . 5 1 1 A 50 50 GLY HA2 H 50 3.933 3.881 0.052 1 1 558 . 5 1 1 A 50 50 GLY HA3 H 50 4.757 3.885 0.872 1 1 559 . 5 1 1 A 50 50 GLY CA C 50 45.499 46.798 -1.299 1 1 560 . 5 1 1 A 50 50 GLY N N 50 106.827 106.497 0.330 1 1 561 . 5 1 1 A 51 51 ALA H H 51 7.857 7.713 0.144 1 1 562 . 5 1 1 A 51 51 ALA HA H 51 4.264 4.394 -0.130 1 1 566 . 5 1 1 A 51 51 ALA CA C 51 53.156 50.847 2.309 1 1 567 . 5 1 1 A 51 51 ALA CB C 51 18.492 17.561 0.931 1 1 568 . 5 1 1 A 51 51 ALA N N 51 120.192 120.179 0.013 1 1 569 . 5 1 1 A 52 52 LYS H H 52 7.787 8.069 -0.282 1 1 570 . 5 1 1 A 52 52 LYS HA H 52 4.094 4.440 -0.346 1 1 579 . 5 1 1 A 52 52 LYS CA C 52 56.979 55.844 1.135 1 1 580 . 5 1 1 A 52 52 LYS CB C 52 30.731 30.627 0.104 1 1 584 . 5 1 1 A 52 52 LYS N N 52 115.260 122.498 -7.238 1 1 585 . 5 1 1 A 53 53 THR H H 53 8.043 8.329 -0.286 1 1 586 . 5 1 1 A 53 53 THR HA H 53 4.924 5.038 -0.114 1 1 591 . 5 1 1 A 53 53 THR CA C 53 59.565 58.571 0.994 1 1 592 . 5 1 1 A 53 53 THR CB C 53 72.729 70.515 2.214 1 1 594 . 5 1 1 A 53 53 THR N N 53 114.085 113.035 1.050 1 1 595 . 5 1 1 A 54 54 PRO HA H 54 4.860 5.142 -0.282 1 1 602 . 5 1 1 A 54 54 PRO CA C 54 62.176 62.425 -0.249 1 1 603 . 5 1 1 A 54 54 PRO CB C 54 32.820 32.932 -0.112 1 1 606 . 5 1 1 A 55 55 ALA H H 55 8.834 8.566 0.268 1 1 607 . 5 1 1 A 55 55 ALA HA H 55 4.824 5.024 -0.200 1 1 611 . 5 1 1 A 55 55 ALA CA C 55 50.500 50.594 -0.094 1 1 612 . 5 1 1 A 55 55 ALA CB C 55 22.858 22.869 -0.011 1 1 613 . 5 1 1 A 55 55 ALA N N 55 122.227 121.469 0.758 1 1 614 . 5 1 1 A 56 56 ARG H H 56 8.445 8.619 -0.174 1 1 615 . 5 1 1 A 56 56 ARG HA H 56 5.262 4.811 0.451 1 1 623 . 5 1 1 A 56 56 ARG CA C 56 54.401 55.796 -1.395 1 1 624 . 5 1 1 A 56 56 ARG CB C 56 32.849 31.371 1.478 1 1 627 . 5 1 1 A 56 56 ARG N N 56 121.194 122.588 -1.394 1 1 629 . 5 1 1 A 57 57 LEU H H 57 9.159 9.101 0.058 1 1 630 . 5 1 1 A 57 57 LEU HA H 57 4.672 5.038 -0.366 1 1 640 . 5 1 1 A 57 57 LEU CA C 57 53.028 53.859 -0.831 1 1 641 . 5 1 1 A 57 57 LEU CB C 57 46.231 46.331 -0.100 1 1 645 . 5 1 1 A 57 57 LEU N N 57 125.694 127.328 -1.634 1 1 646 . 5 1 1 A 58 58 GLU H H 58 8.890 9.143 -0.253 1 1 647 . 5 1 1 A 58 58 GLU HA H 58 4.535 5.024 -0.489 1 1 652 . 5 1 1 A 58 58 GLU CA C 58 55.733 54.984 0.749 1 1 653 . 5 1 1 A 58 58 GLU CB C 58 27.970 31.586 -3.616 1 1 655 . 5 1 1 A 58 58 GLU N N 58 127.677 128.890 -1.213 1 1 656 . 5 1 1 A 59 59 SER H H 59 7.772 8.671 -0.899 1 1 657 . 5 1 1 A 59 59 SER HA H 59 4.970 4.960 0.010 1 1 661 . 5 1 1 A 59 59 SER CA C 59 57.576 56.524 1.052 1 1 662 . 5 1 1 A 59 59 SER CB C 59 69.174 66.266 2.908 1 1 663 . 5 1 1 A 59 59 SER N N 59 121.860 121.383 0.477 1 1 664 . 5 1 1 A 60 60 GLN H H 60 9.336 8.376 0.960 1 1 665 . 5 1 1 A 60 60 GLN HA H 60 4.262 4.111 0.151 1 1 672 . 5 1 1 A 60 60 GLN CA C 60 57.792 58.590 -0.798 1 1 673 . 5 1 1 A 60 60 GLN CB C 60 29.669 28.198 1.471 1 1 675 . 5 1 1 A 60 60 GLN N N 60 119.522 118.067 1.455 1 1 677 . 5 1 1 A 61 61 ILE H H 61 8.007 7.767 0.240 1 1 678 . 5 1 1 A 61 61 ILE HA H 61 4.623 4.239 0.384 1 1 688 . 5 1 1 A 61 61 ILE CA C 61 59.813 61.238 -1.425 1 1 689 . 5 1 1 A 61 61 ILE CB C 61 37.013 38.925 -1.912 1 1 693 . 5 1 1 A 61 61 ILE N N 61 109.398 112.398 -3.000 1 1 694 . 5 1 1 A 62 62 GLY H H 62 7.223 7.145 0.078 1 1 695 . 5 1 1 A 62 62 GLY HA2 H 62 4.493 4.069 0.424 1 1 696 . 5 1 1 A 62 62 GLY HA3 H 62 3.872 4.079 -0.207 1 1 697 . 5 1 1 A 62 62 GLY CA C 62 43.022 44.327 -1.305 1 1 698 . 5 1 1 A 62 62 GLY N N 62 109.035 109.268 -0.233 1 1 699 . 5 1 1 A 63 63 THR H H 63 8.910 8.419 0.491 1 1 700 . 5 1 1 A 63 63 THR HA H 63 4.599 4.861 -0.262 1 1 705 . 5 1 1 A 63 63 THR CA C 63 64.037 62.542 1.495 1 1 706 . 5 1 1 A 63 63 THR CB C 63 68.111 69.368 -1.257 1 1 708 . 5 1 1 A 63 63 THR N N 63 119.711 116.557 3.154 1 1 709 . 5 1 1 A 64 64 LEU H H 64 9.070 8.920 0.150 1 1 710 . 5 1 1 A 64 64 LEU HA H 64 5.120 5.238 -0.118 1 1 720 . 5 1 1 A 64 64 LEU CA C 64 52.680 52.613 0.067 1 1 721 . 5 1 1 A 64 64 LEU CB C 64 44.749 45.349 -0.600 1 1 725 . 5 1 1 A 64 64 LEU N N 64 127.640 123.503 4.137 1 1 726 . 5 1 1 A 65 65 ARG H H 65 9.271 8.796 0.475 1 1 727 . 5 1 1 A 65 65 ARG HA H 65 4.989 5.279 -0.290 1 1 735 . 5 1 1 A 65 65 ARG CA C 65 54.814 55.354 -0.540 1 1 736 . 5 1 1 A 65 65 ARG CB C 65 31.836 33.592 -1.756 1 1 739 . 5 1 1 A 65 65 ARG N N 65 122.680 119.131 3.549 1 1 741 . 5 1 1 A 66 66 MET H H 66 9.310 8.846 0.464 1 1 742 . 5 1 1 A 66 66 MET HA H 66 5.822 5.689 0.133 1 1 747 . 5 1 1 A 66 66 MET CA C 66 53.936 54.187 -0.251 1 1 748 . 5 1 1 A 66 66 MET CB C 66 35.912 35.543 0.369 1 1 750 . 5 1 1 A 66 66 MET N N 66 125.309 126.150 -0.841 1 1 751 . 5 1 1 A 67 67 SER H H 67 8.943 8.641 0.302 1 1 752 . 5 1 1 A 67 67 SER HA H 67 4.660 4.903 -0.243 1 1 755 . 5 1 1 A 67 67 SER CA C 67 57.460 56.809 0.651 1 1 756 . 5 1 1 A 67 67 SER CB C 67 65.747 64.822 0.925 1 1 757 . 5 1 1 A 67 67 SER N N 67 112.115 115.608 -3.493 1 1 758 . 5 1 1 A 68 68 LEU H H 68 8.410 8.869 -0.459 1 1 759 . 5 1 1 A 68 68 LEU HA H 68 5.115 5.052 0.063 1 1 769 . 5 1 1 A 68 68 LEU CA C 68 52.837 53.550 -0.713 1 1 770 . 5 1 1 A 68 68 LEU CB C 68 42.269 42.873 -0.604 1 1 774 . 5 1 1 A 68 68 LEU N N 68 118.367 123.930 -5.563 1 1 775 . 5 1 1 A 69 69 VAL H H 69 9.060 8.238 0.822 1 1 776 . 5 1 1 A 69 69 VAL HA H 69 4.440 4.592 -0.152 1 1 784 . 5 1 1 A 69 69 VAL CA C 69 59.852 59.548 0.304 1 1 785 . 5 1 1 A 69 69 VAL CB C 69 35.349 35.273 0.076 1 1 788 . 5 1 1 A 69 69 VAL N N 69 119.888 118.719 1.169 1 1 789 . 5 1 1 A 70 70 ASN H H 70 8.651 8.770 -0.119 1 1 790 . 5 1 1 A 70 70 ASN HA H 70 4.345 4.225 0.120 1 1 795 . 5 1 1 A 70 70 ASN CA C 70 53.555 54.048 -0.493 1 1 796 . 5 1 1 A 70 70 ASN CB C 70 36.932 36.722 0.210 1 1 797 . 5 1 1 A 70 70 ASN N N 70 119.166 117.846 1.320 1 1 799 . 5 1 1 A 71 71 ILE H H 71 8.449 8.032 0.417 1 1 800 . 5 1 1 A 71 71 ILE HA H 71 4.235 4.068 0.167 1 1 810 . 5 1 1 A 71 71 ILE CA C 71 63.104 61.855 1.249 1 1 811 . 5 1 1 A 71 71 ILE CB C 71 37.200 37.038 0.162 1 1 815 . 5 1 1 A 71 71 ILE N N 71 121.388 119.363 2.025 1 1 816 . 5 1 1 A 72 72 THR H H 72 9.511 8.817 0.694 1 1 817 . 5 1 1 A 72 72 THR HA H 72 4.967 5.141 -0.174 1 1 822 . 5 1 1 A 72 72 THR CA C 72 59.584 58.455 1.129 1 1 823 . 5 1 1 A 72 72 THR CB C 72 71.930 70.569 1.361 1 1 825 . 5 1 1 A 72 72 THR N N 72 125.726 117.886 7.840 1 1 826 . 5 1 1 A 73 73 PRO HA H 73 4.822 4.607 0.215 1 1 833 . 5 1 1 A 73 73 PRO CA C 73 63.362 62.832 0.530 1 1 834 . 5 1 1 A 73 73 PRO CB C 73 32.451 32.776 -0.325 1 1 837 . 5 1 1 A 74 74 ASP H H 74 8.404 8.812 -0.408 1 1 838 . 5 1 1 A 74 74 ASP HA H 74 4.824 5.063 -0.239 1 1 841 . 5 1 1 A 74 74 ASP CA C 74 52.609 52.794 -0.185 1 1 842 . 5 1 1 A 74 74 ASP CB C 74 43.743 44.423 -0.680 1 1 843 . 5 1 1 A 74 74 ASP N N 74 122.325 121.724 0.601 1 1 844 . 5 1 1 A 75 75 ALA H H 75 8.539 8.748 -0.209 1 1 845 . 5 1 1 A 75 75 ALA HA H 75 4.062 4.019 0.043 1 1 849 . 5 1 1 A 75 75 ALA CA C 75 54.431 55.242 -0.811 1 1 850 . 5 1 1 A 75 75 ALA CB C 75 18.117 18.061 0.056 1 1 851 . 5 1 1 A 75 75 ALA N N 75 123.501 125.973 -2.472 1 1 852 . 5 1 1 A 76 76 ASP H H 76 8.356 8.068 0.288 1 1 853 . 5 1 1 A 76 76 ASP HA H 76 4.815 4.529 0.286 1 1 856 . 5 1 1 A 76 76 ASP CA C 76 53.161 55.061 -1.900 1 1 857 . 5 1 1 A 76 76 ASP CB C 76 41.234 41.482 -0.248 1 1 858 . 5 1 1 A 76 76 ASP N N 76 115.326 116.492 -1.166 1 1 859 . 5 1 1 A 77 77 GLY H H 77 7.569 7.516 0.053 1 1 860 . 5 1 1 A 77 77 GLY HA2 H 77 3.925 4.109 -0.184 1 1 861 . 5 1 1 A 77 77 GLY HA3 H 77 4.508 4.115 0.393 1 1 862 . 5 1 1 A 77 77 GLY CA C 77 46.675 46.137 0.538 1 1 863 . 5 1 1 A 77 77 GLY N N 77 109.452 105.385 4.067 1 1 864 . 5 1 1 A 78 78 THR H H 78 8.272 8.438 -0.166 1 1 865 . 5 1 1 A 78 78 THR HA H 78 4.655 4.995 -0.340 1 1 870 . 5 1 1 A 78 78 THR CA C 78 63.204 61.197 2.007 1 1 871 . 5 1 1 A 78 78 THR CB C 78 72.222 71.786 0.436 1 1 873 . 5 1 1 A 78 78 THR N N 78 122.442 115.583 6.859 1 1 874 . 5 1 1 A 79 79 THR H H 79 9.027 8.883 0.144 1 1 875 . 5 1 1 A 79 79 THR HA H 79 5.164 5.538 -0.374 1 1 880 . 5 1 1 A 79 79 THR CA C 79 60.303 60.343 -0.040 1 1 881 . 5 1 1 A 79 79 THR CB C 79 70.442 70.335 0.107 1 1 883 . 5 1 1 A 79 79 THR N N 79 121.451 118.936 2.515 1 1 884 . 5 1 1 A 80 80 LEU H H 80 8.698 9.087 -0.389 1 1 885 . 5 1 1 A 80 80 LEU HA H 80 4.835 5.094 -0.259 1 1 895 . 5 1 1 A 80 80 LEU CA C 80 54.194 53.346 0.848 1 1 896 . 5 1 1 A 80 80 LEU CB C 80 44.576 46.017 -1.441 1 1 900 . 5 1 1 A 80 80 LEU N N 80 119.374 123.643 -4.269 1 1 901 . 5 1 1 A 81 81 THR H H 81 8.675 8.972 -0.297 1 1 902 . 5 1 1 A 81 81 THR HA H 81 4.740 4.877 -0.137 1 1 907 . 5 1 1 A 81 81 THR CA C 81 61.838 62.224 -0.386 1 1 908 . 5 1 1 A 81 81 THR CB C 81 70.190 69.249 0.941 1 1 910 . 5 1 1 A 81 81 THR N N 81 116.982 117.460 -0.478 1 1 911 . 5 1 1 A 82 82 LEU H H 82 8.898 8.914 -0.016 1 1 912 . 5 1 1 A 82 82 LEU HA H 82 4.748 4.808 -0.060 1 1 922 . 5 1 1 A 82 82 LEU CA C 82 53.076 54.124 -1.048 1 1 923 . 5 1 1 A 82 82 LEU CB C 82 43.189 43.227 -0.038 1 1 927 . 5 1 1 A 82 82 LEU N N 82 130.905 129.857 1.048 1 1 928 . 5 1 1 A 83 83 ARG H H 83 9.162 8.609 0.553 1 1 929 . 5 1 1 A 83 83 ARG HA H 83 5.174 5.085 0.089 1 1 936 . 5 1 1 A 83 83 ARG CA C 83 54.441 55.118 -0.677 1 1 937 . 5 1 1 A 83 83 ARG CB C 83 31.332 31.920 -0.588 1 1 940 . 5 1 1 A 83 83 ARG N N 83 131.064 126.517 4.547 1 1 941 . 5 1 1 A 84 84 ILE H H 84 9.474 9.419 0.055 1 1 942 . 5 1 1 A 84 84 ILE HA H 84 4.611 4.608 0.003 1 1 952 . 5 1 1 A 84 84 ILE CA C 84 60.486 60.500 -0.014 1 1 953 . 5 1 1 A 84 84 ILE CB C 84 40.120 38.599 1.521 1 1 957 . 5 1 1 A 84 84 ILE N N 84 128.394 124.691 3.703 1 1 958 . 5 1 1 A 85 85 GLN H H 85 9.137 9.068 0.069 1 1 959 . 5 1 1 A 85 85 GLN HA H 85 5.457 4.966 0.491 1 1 966 . 5 1 1 A 85 85 GLN CA C 85 53.109 55.047 -1.938 1 1 967 . 5 1 1 A 85 85 GLN CB C 85 32.450 30.963 1.487 1 1 969 . 5 1 1 A 85 85 GLN N N 85 124.857 127.134 -2.277 1 1 971 . 5 1 1 A 86 86 GLY H H 86 9.090 8.468 0.622 1 1 972 . 5 1 1 A 86 86 GLY HA2 H 86 3.813 4.365 -0.552 1 1 973 . 5 1 1 A 86 86 GLY HA3 H 86 4.499 4.380 0.119 1 1 974 . 5 1 1 A 86 86 GLY CA C 86 44.877 43.713 1.164 1 1 975 . 5 1 1 A 86 86 GLY N N 86 110.702 107.273 3.429 1 1 976 . 5 1 1 A 87 87 GLU H H 87 8.128 8.797 -0.669 1 1 977 . 5 1 1 A 87 87 GLU HA H 87 4.472 4.108 0.364 1 1 982 . 5 1 1 A 87 87 GLU CA C 87 56.057 58.939 -2.882 1 1 983 . 5 1 1 A 87 87 GLU CB C 87 29.943 29.566 0.377 1 1 985 . 5 1 1 A 87 87 GLU N N 87 120.445 120.948 -0.503 1 1 986 . 5 1 1 A 88 88 SER H H 88 8.063 7.686 0.377 1 1 987 . 5 1 1 A 88 88 SER HA H 88 4.469 4.520 -0.051 1 1 990 . 5 1 1 A 88 88 SER CA C 88 57.472 56.975 0.497 1 1 991 . 5 1 1 A 88 88 SER CB C 88 63.799 65.119 -1.320 1 1 992 . 5 1 1 A 88 88 SER N N 88 113.821 114.660 -0.839 1 1 993 . 5 1 1 A 89 89 ASN H H 89 8.502 8.786 -0.284 1 1 994 . 5 1 1 A 89 89 ASN HA H 89 4.533 4.721 -0.188 1 1 999 . 5 1 1 A 89 89 ASN CA C 89 53.715 55.219 -1.504 1 1 1000 . 5 1 1 A 89 89 ASN CB C 89 38.212 39.774 -1.562 1 1 1001 . 5 1 1 A 89 89 ASN N N 89 119.482 120.940 -1.458 1 1 1003 . 5 1 1 A 90 90 ASP H H 90 8.104 7.623 0.481 1 1 1004 . 5 1 1 A 90 90 ASP HA H 90 5.061 4.804 0.257 1 1 1007 . 5 1 1 A 90 90 ASP CA C 90 51.392 52.632 -1.240 1 1 1008 . 5 1 1 A 90 90 ASP CB C 90 41.223 40.407 0.816 1 1 1009 . 5 1 1 A 90 90 ASP N N 90 119.891 118.091 1.800 1 1 1010 . 5 1 1 A 91 91 PRO HA H 91 4.156 4.853 -0.697 1 1 1017 . 5 1 1 A 91 91 PRO CA C 91 62.200 62.879 -0.679 1 1 1018 . 5 1 1 A 91 91 PRO CB C 91 30.844 31.994 -1.150 1 1 1021 . 5 1 1 A 92 92 LEU H H 92 8.206 8.442 -0.236 1 1 1022 . 5 1 1 A 92 92 LEU HA H 92 4.504 4.709 -0.205 1 1 1032 . 5 1 1 A 92 92 LEU CA C 92 52.697 52.862 -0.165 1 1 1033 . 5 1 1 A 92 92 LEU CB C 92 41.249 41.387 -0.138 1 1 1037 . 5 1 1 A 92 92 LEU N N 92 123.954 123.380 0.574 1 1 1038 . 5 1 1 A 93 93 PRO HA H 93 4.808 4.663 0.145 1 1 1045 . 5 1 1 A 93 93 PRO CA C 93 61.122 62.338 -1.216 1 1 1046 . 5 1 1 A 93 93 PRO CB C 93 32.289 32.934 -0.645 1 1 1049 . 5 1 1 A 94 94 ALA H H 94 8.420 8.373 0.047 1 1 1050 . 5 1 1 A 94 94 ALA HA H 94 4.164 4.516 -0.352 1 1 1054 . 5 1 1 A 94 94 ALA CA C 94 52.655 52.453 0.202 1 1 1055 . 5 1 1 A 94 94 ALA CB C 94 18.563 19.903 -1.340 1 1 1056 . 5 1 1 A 94 94 ALA N N 94 120.368 122.563 -2.195 1 1 1057 . 5 1 1 A 95 95 PHE H H 95 7.961 7.704 0.257 1 1 1058 . 5 1 1 A 95 95 PHE HA H 95 5.489 5.629 -0.140 1 1 1066 . 5 1 1 A 95 95 PHE CA C 95 56.213 55.923 0.290 1 1 1067 . 5 1 1 A 95 95 PHE CB C 95 41.552 41.889 -0.337 1 1 1071 . 5 1 1 A 95 95 PHE N N 95 115.209 116.828 -1.619 1 1 1072 . 5 1 1 A 96 96 SER H H 96 9.231 9.452 -0.221 1 1 1073 . 5 1 1 A 96 96 SER HA H 96 5.427 5.681 -0.254 1 1 1076 . 5 1 1 A 96 96 SER CA C 96 55.549 56.584 -1.035 1 1 1077 . 5 1 1 A 96 96 SER CB C 96 66.681 65.795 0.886 1 1 1078 . 5 1 1 A 96 96 SER N N 96 114.106 114.526 -0.420 1 1 1079 . 5 1 1 A 97 97 GLY H H 97 8.269 8.631 -0.362 1 1 1080 . 5 1 1 A 97 97 GLY HA2 H 97 4.612 4.343 0.269 1 1 1081 . 5 1 1 A 97 97 GLY HA3 H 97 3.571 4.377 -0.806 1 1 1082 . 5 1 1 A 97 97 GLY CA C 97 45.139 45.351 -0.212 1 1 1083 . 5 1 1 A 97 97 GLY N N 97 104.730 109.736 -5.006 1 1 1084 . 5 1 1 A 98 98 THR H H 98 8.068 8.638 -0.570 1 1 1085 . 5 1 1 A 98 98 THR HA H 98 4.836 5.155 -0.319 1 1 1090 . 5 1 1 A 98 98 THR CA C 98 62.462 61.171 1.291 1 1 1091 . 5 1 1 A 98 98 THR CB C 98 70.240 69.646 0.594 1 1 1093 . 5 1 1 A 98 98 THR N N 98 115.596 115.419 0.177 1 1 1094 . 5 1 1 A 99 99 VAL H H 99 9.016 9.363 -0.347 1 1 1095 . 5 1 1 A 99 99 VAL HA H 99 5.040 5.408 -0.368 1 1 1103 . 5 1 1 A 99 99 VAL CA C 99 59.695 60.175 -0.480 1 1 1104 . 5 1 1 A 99 99 VAL CB C 99 33.810 33.830 -0.020 1 1 1107 . 5 1 1 A 99 99 VAL N N 99 124.571 123.443 1.128 1 1 1108 . 5 1 1 A 100 100 GLU H H 100 9.595 9.362 0.233 1 1 1109 . 5 1 1 A 100 100 GLU HA H 100 5.463 5.183 0.280 1 1 1114 . 5 1 1 A 100 100 GLU CA C 100 53.132 54.985 -1.853 1 1 1115 . 5 1 1 A 100 100 GLU CB C 100 31.806 32.681 -0.875 1 1 1117 . 5 1 1 A 100 100 GLU N N 100 125.607 124.457 1.150 1 1 1118 . 5 1 1 A 101 101 TYR H H 101 8.576 8.712 -0.136 1 1 1119 . 5 1 1 A 101 101 TYR HA H 101 4.568 5.833 -1.265 1 1 1126 . 5 1 1 A 101 101 TYR CA C 101 54.809 55.196 -0.387 1 1 1127 . 5 1 1 A 101 101 TYR CB C 101 39.516 42.090 -2.574 1 1 1130 . 5 1 1 A 101 101 TYR N N 101 117.224 119.877 -2.653 1 1 1131 . 5 1 1 A 102 102 GLY H H 102 6.489 7.450 -0.961 1 1 1132 . 5 1 1 A 102 102 GLY HA2 H 102 3.948 4.047 -0.099 1 1 1133 . 5 1 1 A 102 102 GLY HA3 H 102 4.190 4.188 0.002 1 1 1134 . 5 1 1 A 102 102 GLY CA C 102 46.509 45.747 0.762 1 1 1135 . 5 1 1 A 102 102 GLY N N 102 103.890 105.697 -1.807 1 1 1136 . 5 1 1 A 103 103 GLN H H 103 8.789 8.854 -0.065 1 1 1137 . 5 1 1 A 103 103 GLN HA H 103 4.893 5.162 -0.269 1 1 1144 . 5 1 1 A 103 103 GLN CA C 103 54.742 54.526 0.216 1 1 1145 . 5 1 1 A 103 103 GLN CB C 103 31.972 32.226 -0.254 1 1 1147 . 5 1 1 A 103 103 GLN N N 103 121.055 119.950 1.105 1 1 1149 . 5 1 1 A 104 104 ILE H H 104 8.877 9.141 -0.264 1 1 1150 . 5 1 1 A 104 104 ILE HA H 104 5.033 4.764 0.269 1 1 1160 . 5 1 1 A 104 104 ILE CA C 104 59.495 60.445 -0.950 1 1 1161 . 5 1 1 A 104 104 ILE CB C 104 40.485 39.610 0.875 1 1 1165 . 5 1 1 A 104 104 ILE N N 104 119.483 122.270 -2.787 1 1 1166 . 5 1 1 A 105 105 GLN H H 105 8.807 8.568 0.239 1 1 1167 . 5 1 1 A 105 105 GLN HA H 105 4.785 4.714 0.071 1 1 1174 . 5 1 1 A 105 105 GLN CA C 105 53.586 54.888 -1.302 1 1 1175 . 5 1 1 A 105 105 GLN CB C 105 32.029 29.104 2.925 1 1 1177 . 5 1 1 A 105 105 GLN N N 105 126.014 122.212 3.802 1 1 1179 . 5 1 1 A 106 106 GLY H H 106 8.680 7.823 0.857 1 1 1180 . 5 1 1 A 106 106 GLY HA2 H 106 4.878 4.114 0.764 1 1 1181 . 5 1 1 A 106 106 GLY HA3 H 106 3.898 4.159 -0.261 1 1 1182 . 5 1 1 A 106 106 GLY CA C 106 43.994 45.439 -1.445 1 1 1183 . 5 1 1 A 106 106 GLY N N 106 111.899 110.033 1.866 1 1 1184 . 5 1 1 A 107 107 THR H H 107 7.984 8.643 -0.659 1 1 1185 . 5 1 1 A 107 107 THR HA H 107 4.571 4.691 -0.120 1 1 1190 . 5 1 1 A 107 107 THR CA C 107 59.611 60.329 -0.718 1 1 1191 . 5 1 1 A 107 107 THR CB C 107 71.146 71.144 0.002 1 1 1193 . 5 1 1 A 107 107 THR N N 107 111.498 110.309 1.189 1 1 1194 . 5 1 1 A 108 108 ILE H H 108 8.345 8.910 -0.565 1 1 1195 . 5 1 1 A 108 108 ILE HA H 108 3.775 3.588 0.187 1 1 1205 . 5 1 1 A 108 108 ILE CA C 108 62.916 64.274 -1.358 1 1 1206 . 5 1 1 A 108 108 ILE CB C 108 37.737 37.141 0.596 1 1 1210 . 5 1 1 A 108 108 ILE N N 108 117.576 122.295 -4.719 1 1 1211 . 5 1 1 A 109 109 ASP H H 109 7.753 7.795 -0.042 1 1 1212 . 5 1 1 A 109 109 ASP HA H 109 4.564 4.574 -0.010 1 1 1215 . 5 1 1 A 109 109 ASP CA C 109 54.540 56.367 -1.827 1 1 1216 . 5 1 1 A 109 109 ASP CB C 109 41.360 41.532 -0.172 1 1 1217 . 5 1 1 A 109 109 ASP N N 109 116.045 120.426 -4.381 1 1 1218 . 5 1 1 A 110 110 ASN H H 110 7.719 7.674 0.045 1 1 1219 . 5 1 1 A 110 110 ASN HA H 110 4.723 5.168 -0.445 1 1 1224 . 5 1 1 A 110 110 ASN CA C 110 53.036 52.506 0.530 1 1 1225 . 5 1 1 A 110 110 ASN CB C 110 38.443 40.854 -2.411 1 1 1226 . 5 1 1 A 110 110 ASN N N 110 119.075 114.211 4.864 1 1 1228 . 5 1 1 A 111 111 PHE H H 111 7.977 8.534 -0.557 1 1 1229 . 5 1 1 A 111 111 PHE HA H 111 5.249 5.495 -0.246 1 1 1237 . 5 1 1 A 111 111 PHE CA C 111 56.627 55.444 1.183 1 1 1238 . 5 1 1 A 111 111 PHE CB C 111 40.215 42.646 -2.431 1 1 1242 . 5 1 1 A 111 111 PHE N N 111 122.138 117.995 4.143 1 1 1243 . 5 1 1 A 112 112 GLN H H 112 8.715 8.750 -0.035 1 1 1244 . 5 1 1 A 112 112 GLN HA H 112 4.540 4.964 -0.424 1 1 1251 . 5 1 1 A 112 112 GLN CA C 112 54.035 54.233 -0.198 1 1 1252 . 5 1 1 A 112 112 GLN CB C 112 31.861 31.884 -0.023 1 1 1254 . 5 1 1 A 112 112 GLN N N 112 119.575 118.839 0.736 1 1 1256 . 5 1 1 A 113 113 GLU H H 113 8.546 8.789 -0.243 1 1 1257 . 5 1 1 A 113 113 GLU HA H 113 4.780 5.075 -0.295 1 1 1262 . 5 1 1 A 113 113 GLU CA C 113 55.412 55.862 -0.450 1 1 1263 . 5 1 1 A 113 113 GLU CB C 113 29.886 30.828 -0.942 1 1 1265 . 5 1 1 A 113 113 GLU N N 113 122.846 121.370 1.476 1 1 1266 . 5 1 1 A 114 114 ILE H H 114 8.913 8.652 0.261 1 1 1267 . 5 1 1 A 114 114 ILE HA H 114 4.662 4.705 -0.043 1 1 1277 . 5 1 1 A 114 114 ILE CA C 114 59.144 59.308 -0.164 1 1 1278 . 5 1 1 A 114 114 ILE CB C 114 41.873 41.050 0.823 1 1 1282 . 5 1 1 A 114 114 ILE N N 114 120.222 120.237 -0.015 1 1 1283 . 5 1 1 A 115 115 ASN H H 115 8.916 8.729 0.187 1 1 1284 . 5 1 1 A 115 115 ASN HA H 115 4.340 4.173 0.167 1 1 1289 . 5 1 1 A 115 115 ASN CA C 115 53.444 54.089 -0.645 1 1 1290 . 5 1 1 A 115 115 ASN CB C 115 36.467 37.193 -0.726 1 1 1291 . 5 1 1 A 115 115 ASN N N 115 120.916 118.887 2.029 1 1 1293 . 5 1 1 A 116 116 VAL H H 116 8.044 7.812 0.232 1 1 1294 . 5 1 1 A 116 116 VAL HA H 116 4.389 4.767 -0.378 1 1 1302 . 5 1 1 A 116 116 VAL CA C 116 63.183 60.171 3.012 1 1 1303 . 5 1 1 A 116 116 VAL CB C 116 32.216 34.015 -1.799 1 1 1306 . 5 1 1 A 116 116 VAL N N 116 117.046 118.236 -1.190 1 1 1307 . 5 1 1 A 117 117 GLN H H 117 8.582 8.627 -0.045 1 1 1308 . 5 1 1 A 117 117 GLN HA H 117 4.550 4.866 -0.316 1 1 1315 . 5 1 1 A 117 117 GLN CA C 117 53.827 53.228 0.599 1 1 1316 . 5 1 1 A 117 117 GLN CB C 117 33.119 32.412 0.707 1 1 1318 . 5 1 1 A 117 117 GLN N N 117 127.086 126.082 1.004 1 1 1320 . 5 1 1 A 118 118 ASN H H 118 8.330 8.767 -0.437 1 1 1321 . 5 1 1 A 118 118 ASN HA H 118 5.845 5.971 -0.126 1 1 1326 . 5 1 1 A 118 118 ASN CA C 118 51.736 50.926 0.810 1 1 1327 . 5 1 1 A 118 118 ASN CB C 118 42.644 42.124 0.520 1 1 1328 . 5 1 1 A 118 118 ASN N N 118 113.251 118.033 -4.782 1 1 1330 . 5 1 1 A 119 119 GLN H H 119 9.187 8.652 0.535 1 1 1331 . 5 1 1 A 119 119 GLN HA H 119 4.693 4.786 -0.093 1 1 1338 . 5 1 1 A 119 119 GLN CA C 119 55.160 55.414 -0.254 1 1 1339 . 5 1 1 A 119 119 GLN CB C 119 34.157 32.604 1.553 1 1 1341 . 5 1 1 A 119 119 GLN N N 119 116.799 118.640 -1.841 1 1 1343 . 5 1 1 A 120 120 LEU H H 120 8.544 8.785 -0.241 1 1 1344 . 5 1 1 A 120 120 LEU HA H 120 5.059 5.313 -0.254 1 1 1354 . 5 1 1 A 120 120 LEU CA C 120 54.327 53.567 0.760 1 1 1355 . 5 1 1 A 120 120 LEU CB C 120 42.839 43.795 -0.956 1 1 1359 . 5 1 1 A 120 120 LEU N N 120 123.292 124.235 -0.943 1 1 1360 . 5 1 1 A 121 121 ILE H H 121 8.657 9.349 -0.692 1 1 1361 . 5 1 1 A 121 121 ILE HA H 121 4.778 4.950 -0.172 1 1 1371 . 5 1 1 A 121 121 ILE CA C 121 58.770 59.978 -1.208 1 1 1372 . 5 1 1 A 121 121 ILE CB C 121 41.582 39.724 1.858 1 1 1376 . 5 1 1 A 121 121 ILE N N 121 116.046 121.754 -5.708 1 1 1377 . 5 1 1 A 122 122 ASN H H 122 8.329 8.975 -0.646 1 1 1378 . 5 1 1 A 122 122 ASN HA H 122 5.068 5.236 -0.168 1 1 1383 . 5 1 1 A 122 122 ASN CA C 122 52.654 52.239 0.415 1 1 1384 . 5 1 1 A 122 122 ASN CB C 122 42.112 38.952 3.160 1 1 1385 . 5 1 1 A 122 122 ASN N N 122 118.416 126.211 -7.795 1 1 1387 . 5 1 1 A 123 123 ALA H H 123 8.547 8.541 0.006 1 1 1388 . 5 1 1 A 123 123 ALA HA H 123 4.597 4.783 -0.186 1 1 1392 . 5 1 1 A 123 123 ALA CA C 123 48.537 49.483 -0.946 1 1 1393 . 5 1 1 A 123 123 ALA CB C 123 19.998 19.530 0.468 1 1 1394 . 5 1 1 A 123 123 ALA N N 123 124.108 127.542 -3.434 1 1 1395 . 5 1 1 A 124 124 PRO HA H 124 4.537 4.446 0.091 1 1 1402 . 5 1 1 A 124 124 PRO CA C 124 60.979 62.216 -1.237 1 1 1403 . 5 1 1 A 124 124 PRO CB C 124 32.285 32.625 -0.340 1 1 1406 . 5 1 1 A 125 125 ALA H H 125 8.587 8.258 0.329 1 1 1407 . 5 1 1 A 125 125 ALA HA H 125 3.899 4.646 -0.747 1 1 1411 . 5 1 1 A 125 125 ALA CA C 125 52.692 51.216 1.476 1 1 1412 . 5 1 1 A 125 125 ALA CB C 125 18.631 20.101 -1.470 1 1 1413 . 5 1 1 A 125 125 ALA N N 125 121.333 122.503 -1.170 1 1 1414 . 5 1 1 A 126 126 SER H H 126 8.227 8.923 -0.696 1 1 1415 . 5 1 1 A 126 126 SER HA H 126 4.616 4.694 -0.078 1 1 1418 . 5 1 1 A 126 126 SER CA C 126 59.168 58.440 0.728 1 1 1419 . 5 1 1 A 126 126 SER CB C 126 64.636 63.773 0.863 1 1 1420 . 5 1 1 A 126 126 SER N N 126 118.947 118.110 0.837 1 1 1421 . 5 1 1 A 127 127 VAL H H 127 8.595 8.799 -0.204 1 1 1422 . 5 1 1 A 127 127 VAL HA H 127 4.276 4.013 0.263 1 1 1430 . 5 1 1 A 127 127 VAL CA C 127 62.194 64.476 -2.282 1 1 1431 . 5 1 1 A 127 127 VAL CB C 127 32.852 32.636 0.216 1 1 1434 . 5 1 1 A 127 127 VAL N N 127 117.209 127.388 -10.179 1 1 1435 . 5 1 1 A 128 128 LEU H H 128 7.844 7.619 0.225 1 1 1436 . 5 1 1 A 128 128 LEU HA H 128 4.588 4.891 -0.303 1 1 1446 . 5 1 1 A 128 128 LEU CA C 128 53.639 53.143 0.496 1 1 1447 . 5 1 1 A 128 128 LEU CB C 128 44.574 44.722 -0.148 1 1 1451 . 5 1 1 A 128 128 LEU N N 128 121.103 117.450 3.653 1 1 1452 . 5 1 1 A 129 129 ALA H H 129 8.377 8.573 -0.196 1 1 1453 . 5 1 1 A 129 129 ALA HA H 129 4.538 4.511 0.027 1 1 1457 . 5 1 1 A 129 129 ALA CA C 129 53.476 50.835 2.641 1 1 1458 . 5 1 1 A 129 129 ALA CB C 129 20.982 18.032 2.950 1 1 1459 . 5 1 1 A 129 129 ALA N N 129 123.679 124.144 -0.465 1 1 1460 . 5 1 1 A 130 130 PRO HA H 130 4.669 4.819 -0.150 1 1 1467 . 5 1 1 A 130 130 PRO CA C 130 62.314 62.283 0.031 1 1 1468 . 5 1 1 A 130 130 PRO CB C 130 33.473 32.853 0.620 1 1 1471 . 5 1 1 A 131 131 SER H H 131 9.365 8.458 0.907 1 1 1472 . 5 1 1 A 131 131 SER HA H 131 4.520 4.490 0.030 1 1 1475 . 5 1 1 A 131 131 SER CA C 131 59.385 59.666 -0.281 1 1 1476 . 5 1 1 A 131 131 SER CB C 131 63.866 62.520 1.346 1 1 1477 . 5 1 1 A 131 131 SER N N 131 122.226 116.672 5.554 1 1 1478 . 5 1 1 A 132 132 ASP H H 132 8.608 7.972 0.636 1 1 1479 . 5 1 1 A 132 132 ASP HA H 132 5.260 5.240 0.020 1 1 1482 . 5 1 1 A 132 132 ASP CA C 132 53.345 54.090 -0.745 1 1 1483 . 5 1 1 A 132 132 ASP CB C 132 41.791 43.207 -1.416 1 1 1484 . 5 1 1 A 132 132 ASP N N 132 124.814 127.043 -2.229 1 1 1485 . 5 1 1 A 133 133 VAL H H 133 9.405 9.446 -0.041 1 1 1486 . 5 1 1 A 133 133 VAL HA H 133 4.226 4.676 -0.450 1 1 1494 . 5 1 1 A 133 133 VAL CA C 133 61.669 61.579 0.090 1 1 1495 . 5 1 1 A 133 133 VAL CB C 133 34.448 33.356 1.092 1 1 1498 . 5 1 1 A 133 133 VAL N N 133 127.192 125.377 1.815 1 1 1499 . 5 1 1 A 134 134 ASP H H 134 8.468 8.960 -0.492 1 1 1500 . 5 1 1 A 134 134 ASP HA H 134 5.368 5.306 0.062 1 1 1503 . 5 1 1 A 134 134 ASP CA C 134 52.326 52.755 -0.429 1 1 1504 . 5 1 1 A 134 134 ASP CB C 134 41.245 42.116 -0.871 1 1 1505 . 5 1 1 A 134 134 ASP N N 134 127.161 127.480 -0.319 1 1 1506 . 5 1 1 A 135 135 ILE H H 135 9.406 8.705 0.701 1 1 1507 . 5 1 1 A 135 135 ILE HA H 135 4.636 4.888 -0.252 1 1 1517 . 5 1 1 A 135 135 ILE CA C 135 57.478 57.012 0.466 1 1 1518 . 5 1 1 A 135 135 ILE CB C 135 39.411 40.791 -1.380 1 1 1522 . 5 1 1 A 135 135 ILE N N 135 125.603 119.971 5.632 1 1 1523 . 5 1 1 A 136 136 PRO HA H 136 4.844 4.811 0.033 1 1 1530 . 5 1 1 A 136 136 PRO CA C 136 62.314 62.415 -0.101 1 1 1531 . 5 1 1 A 136 136 PRO CB C 136 31.563 31.658 -0.095 1 1 1534 . 5 1 1 A 137 137 LEU H H 137 9.196 8.834 0.362 1 1 1535 . 5 1 1 A 137 137 LEU HA H 137 4.739 4.913 -0.174 1 1 1545 . 5 1 1 A 137 137 LEU CA C 137 53.609 53.028 0.581 1 1 1546 . 5 1 1 A 137 137 LEU CB C 137 45.473 45.894 -0.421 1 1 1550 . 5 1 1 A 137 137 LEU N N 137 124.087 123.860 0.227 1 1 1551 . 5 1 1 A 138 138 GLN H H 138 8.928 8.992 -0.064 1 1 1552 . 5 1 1 A 138 138 GLN HA H 138 4.581 4.748 -0.167 1 1 1559 . 5 1 1 A 138 138 GLN CA C 138 54.780 54.482 0.298 1 1 1560 . 5 1 1 A 138 138 GLN CB C 138 29.048 30.069 -1.021 1 1 1562 . 5 1 1 A 138 138 GLN N N 138 122.528 128.550 -6.022 1 1 1564 . 5 1 1 A 139 139 LEU H H 139 9.039 8.955 0.084 1 1 1565 . 5 1 1 A 139 139 LEU HA H 139 4.205 4.419 -0.214 1 1 1575 . 5 1 1 A 139 139 LEU CA C 139 52.367 53.908 -1.541 1 1 1576 . 5 1 1 A 139 139 LEU CB C 139 38.673 41.702 -3.029 1 1 1580 . 5 1 1 A 139 139 LEU N N 139 127.667 128.032 -0.365 1 1 1581 . 5 1 1 A 140 140 LYS H H 140 8.078 8.590 -0.512 1 1 1582 . 5 1 1 A 140 140 LYS HA H 140 4.352 4.946 -0.594 1 1 1591 . 5 1 1 A 140 140 LYS CA C 140 56.826 55.324 1.502 1 1 1592 . 5 1 1 A 140 140 LYS CB C 140 32.657 33.942 -1.285 1 1 1596 . 5 1 1 A 140 140 LYS N N 140 124.108 123.526 0.582 1 1 1597 . 5 1 1 A 141 141 GLY H H 141 9.166 8.861 0.305 1 1 1598 . 5 1 1 A 141 141 GLY HA2 H 141 3.788 4.001 -0.213 1 1 1599 . 5 1 1 A 141 141 GLY HA3 H 141 4.119 4.020 0.099 1 1 1600 . 5 1 1 A 141 141 GLY CA C 141 45.682 45.343 0.339 1 1 1601 . 5 1 1 A 141 141 GLY N N 141 110.698 111.679 -0.981 1 1 1602 . 5 1 1 A 142 142 ILE H H 142 7.112 7.927 -0.815 1 1 1603 . 5 1 1 A 142 142 ILE HA H 142 4.600 4.933 -0.333 1 1 1613 . 5 1 1 A 142 142 ILE CA C 142 58.547 59.339 -0.792 1 1 1614 . 5 1 1 A 142 142 ILE CB C 142 40.437 41.730 -1.293 1 1 1618 . 5 1 1 A 142 142 ILE N N 142 117.928 121.610 -3.682 1 1 1619 . 5 1 1 A 143 143 SER H H 143 8.381 9.040 -0.659 1 1 1620 . 5 1 1 A 143 143 SER HA H 143 4.613 4.842 -0.229 1 1 1623 . 5 1 1 A 143 143 SER CA C 143 56.654 58.170 -1.516 1 1 1624 . 5 1 1 A 143 143 SER CB C 143 65.051 64.547 0.504 1 1 1625 . 5 1 1 A 143 143 SER N N 143 123.373 124.326 -0.953 1 1 1626 . 5 1 1 A 144 144 VAL H H 144 8.702 8.290 0.412 1 1 1627 . 5 1 1 A 144 144 VAL HA H 144 3.593 3.816 -0.223 1 1 1635 . 5 1 1 A 144 144 VAL CA C 144 65.655 65.151 0.504 1 1 1636 . 5 1 1 A 144 144 VAL CB C 144 31.434 31.777 -0.343 1 1 1639 . 5 1 1 A 144 144 VAL N N 144 120.791 126.352 -5.561 1 1 1640 . 5 1 1 A 145 145 ASP H H 145 8.151 8.303 -0.152 1 1 1641 . 5 1 1 A 145 145 ASP HA H 145 4.435 4.433 0.002 1 1 1644 . 5 1 1 A 145 145 ASP CA C 145 55.211 56.937 -1.726 1 1 1645 . 5 1 1 A 145 145 ASP CB C 145 40.268 41.109 -0.841 1 1 1646 . 5 1 1 A 145 145 ASP N N 145 115.698 120.936 -5.238 1 1 1647 . 5 1 1 A 146 146 GLN H H 146 7.553 7.431 0.122 1 1 1648 . 5 1 1 A 146 146 GLN HA H 146 4.302 4.467 -0.165 1 1 1655 . 5 1 1 A 146 146 GLN CA C 146 55.072 55.108 -0.036 1 1 1656 . 5 1 1 A 146 146 GLN CB C 146 29.990 28.968 1.022 1 1 1658 . 5 1 1 A 146 146 GLN N N 146 117.118 115.385 1.733 1 1 1660 . 5 1 1 A 147 147 LEU H H 147 7.368 7.384 -0.016 1 1 1661 . 5 1 1 A 147 147 LEU HA H 147 4.119 4.518 -0.399 1 1 1671 . 5 1 1 A 147 147 LEU CA C 147 54.904 54.291 0.613 1 1 1672 . 5 1 1 A 147 147 LEU CB C 147 40.355 42.645 -2.290 1 1 1676 . 5 1 1 A 147 147 LEU N N 147 121.541 123.957 -2.416 1 1 1677 . 5 1 1 A 148 148 GLY H H 148 8.791 8.691 0.100 1 1 1678 . 5 1 1 A 148 148 GLY HA2 H 148 4.512 4.004 0.508 1 1 1679 . 5 1 1 A 148 148 GLY HA3 H 148 3.997 4.064 -0.067 1 1 1680 . 5 1 1 A 148 148 GLY CA C 148 45.610 46.862 -1.252 1 1 1681 . 5 1 1 A 148 148 GLY N N 148 116.322 112.968 3.354 1 1 1682 . 5 1 1 A 149 149 PHE H H 149 7.790 7.919 -0.129 1 1 1683 . 5 1 1 A 149 149 PHE HA H 149 5.215 5.461 -0.246 1 1 1691 . 5 1 1 A 149 149 PHE CA C 149 56.942 55.876 1.066 1 1 1692 . 5 1 1 A 149 149 PHE CB C 149 42.019 43.232 -1.213 1 1 1696 . 5 1 1 A 149 149 PHE N N 149 113.675 113.698 -0.023 1 1 1697 . 5 1 1 A 150 150 VAL H H 150 8.549 8.914 -0.365 1 1 1698 . 5 1 1 A 150 150 VAL HA H 150 4.776 5.284 -0.508 1 1 1706 . 5 1 1 A 150 150 VAL CA C 150 61.068 60.195 0.873 1 1 1707 . 5 1 1 A 150 150 VAL CB C 150 34.594 35.042 -0.448 1 1 1710 . 5 1 1 A 150 150 VAL N N 150 118.208 120.382 -2.174 1 1 1711 . 5 1 1 A 151 151 ARG H H 151 9.953 9.352 0.601 1 1 1712 . 5 1 1 A 151 151 ARG HA H 151 5.783 5.033 0.750 1 1 1719 . 5 1 1 A 151 151 ARG CA C 151 53.530 54.517 -0.987 1 1 1720 . 5 1 1 A 151 151 ARG CB C 151 33.540 32.092 1.448 1 1 1723 . 5 1 1 A 151 151 ARG N N 151 128.446 125.964 2.482 1 1 1724 . 5 1 1 A 152 152 ILE H H 152 8.905 8.857 0.048 1 1 1725 . 5 1 1 A 152 152 ILE HA H 152 5.188 4.955 0.233 1 1 1735 . 5 1 1 A 152 152 ILE CA C 152 60.464 60.293 0.171 1 1 1736 . 5 1 1 A 152 152 ILE CB C 152 39.542 38.697 0.845 1 1 1740 . 5 1 1 A 152 152 ILE N N 152 127.149 125.335 1.814 1 1 1741 . 5 1 1 A 153 153 HIS H H 153 8.941 8.398 0.543 1 1 1742 . 5 1 1 A 153 153 HIS HA H 153 5.074 4.938 0.136 1 1 1747 . 5 1 1 A 153 153 HIS CA C 153 53.417 54.477 -1.060 1 1 1748 . 5 1 1 A 153 153 HIS CB C 153 31.734 32.341 -0.607 1 1 1751 . 5 1 1 A 153 153 HIS N N 153 119.132 123.700 -4.568 1 1 1752 . 5 1 1 A 154 154 ASP H H 154 9.109 8.867 0.242 1 1 1753 . 5 1 1 A 154 154 ASP HA H 154 4.276 4.161 0.115 1 1 1756 . 5 1 1 A 154 154 ASP CA C 154 55.630 55.264 0.366 1 1 1757 . 5 1 1 A 154 154 ASP CB C 154 39.450 39.023 0.427 1 1 1758 . 5 1 1 A 154 154 ASP N N 154 116.420 116.502 -0.082 1 1 1759 . 5 1 1 A 155 155 ILE H H 155 8.062 8.057 0.005 1 1 1760 . 5 1 1 A 155 155 ILE HA H 155 5.051 4.076 0.975 1 1 1770 . 5 1 1 A 155 155 ILE CA C 155 59.666 61.912 -2.246 1 1 1771 . 5 1 1 A 155 155 ILE CB C 155 35.757 37.135 -1.378 1 1 1775 . 5 1 1 A 155 155 ILE N N 155 119.131 119.551 -0.420 1 1 1776 . 5 1 1 A 156 156 GLN H H 156 9.011 8.552 0.459 1 1 1777 . 5 1 1 A 156 156 GLN HA H 156 4.993 5.021 -0.028 1 1 1784 . 5 1 1 A 156 156 GLN CA C 156 51.975 52.886 -0.911 1 1 1785 . 5 1 1 A 156 156 GLN CB C 156 31.210 31.672 -0.462 1 1 1787 . 5 1 1 A 156 156 GLN N N 156 127.177 125.203 1.974 1 1 1789 . 5 1 1 A 157 157 PRO HA H 157 4.964 5.165 -0.201 1 1 1796 . 5 1 1 A 157 157 PRO CA C 157 61.770 62.798 -1.028 1 1 1797 . 5 1 1 A 157 157 PRO CB C 157 31.637 31.660 -0.023 1 1 1800 . 5 1 1 A 158 158 VAL H H 158 7.921 8.331 -0.410 1 1 1801 . 5 1 1 A 158 158 VAL HA H 158 4.107 4.480 -0.373 1 1 1809 . 5 1 1 A 158 158 VAL CA C 158 62.234 61.784 0.450 1 1 1810 . 5 1 1 A 158 158 VAL CB C 158 32.610 32.309 0.301 1 1 1813 . 5 1 1 A 158 158 VAL N N 158 121.642 123.024 -1.382 1 1 1814 . 5 1 1 A 159 159 MET H H 159 8.544 8.962 -0.418 1 1 1815 . 5 1 1 A 159 159 MET HA H 159 4.548 5.116 -0.568 1 1 1820 . 5 1 1 A 159 159 MET CA C 159 54.731 54.019 0.712 1 1 1821 . 5 1 1 A 159 159 MET CB C 159 32.547 37.430 -4.883 1 1 1823 . 5 1 1 A 159 159 MET N N 159 124.452 128.259 -3.807 1 1 1824 . 5 1 1 A 160 160 GLN H H 160 8.434 8.389 0.045 1 1 1825 . 5 1 1 A 160 160 GLN HA H 160 4.354 4.207 0.147 1 1 1832 . 5 1 1 A 160 160 GLN CA C 160 55.399 56.511 -1.112 1 1 1833 . 5 1 1 A 160 160 GLN CB C 160 29.112 29.162 -0.050 1 1 1835 . 5 1 1 A 160 160 GLN N N 160 121.917 120.809 1.108 1 1 1837 . 5 1 1 A 161 161 LEU H H 161 8.325 8.260 0.065 1 1 1838 . 5 1 1 A 161 161 LEU HA H 161 4.314 4.463 -0.149 1 1 1848 . 5 1 1 A 161 161 LEU CA C 161 55.040 54.245 0.795 1 1 1849 . 5 1 1 A 161 161 LEU CB C 161 42.225 41.353 0.872 1 1 1853 . 5 1 1 A 161 161 LEU N N 161 123.826 122.839 0.987 1 1 1854 . 5 1 1 A 162 162 GLU H H 162 8.358 8.406 -0.048 1 1 1855 . 5 1 1 A 162 162 GLU HA H 162 4.216 4.239 -0.023 1 1 1860 . 5 1 1 A 162 162 GLU CA C 162 56.343 58.030 -1.687 1 1 1861 . 5 1 1 A 162 162 GLU CB C 162 30.083 30.296 -0.213 1 1 1863 . 5 1 1 A 162 162 GLU N N 162 121.293 124.164 -2.871 1 1 1864 . 5 1 1 A 163 163 HIS H H 163 8.376 7.660 0.716 1 1 1865 . 5 1 1 A 163 163 HIS HA H 163 4.641 5.342 -0.701 1 1 1868 . 5 1 1 A 163 163 HIS CA C 163 55.437 54.456 0.981 1 1 1869 . 5 1 1 A 163 163 HIS CB C 163 29.412 33.206 -3.794 1 1 1870 . 5 1 1 A 163 163 HIS N N 163 121.307 114.888 6.419 1 1 1871 . 5 1 1 A 164 164 HIS H H 164 8.289 8.985 -0.696 1 1 1872 . 5 1 1 A 164 164 HIS N N 164 125.228 123.355 1.873 1 1 1873 . 5 1 1 A 166 166 HIS HA H 166 4.300 4.876 -0.576 1 1 1876 . 5 1 1 A 166 166 HIS CA C 166 55.708 55.265 0.443 1 1 1877 . 5 1 1 A 166 166 HIS CB C 166 29.207 32.314 -3.107 1 1 1878 . 5 1 1 A 167 167 HIS H H 167 8.591 8.818 -0.227 1 1 1879 . 5 1 1 A 167 167 HIS HA H 167 4.541 4.308 0.233 1 1 1882 . 5 1 1 A 167 167 HIS CA C 167 54.678 57.465 -2.787 1 1 1883 . 5 1 1 A 167 167 HIS CB C 167 26.256 29.256 -3.000 1 1 1884 . 5 1 1 A 167 167 HIS N N 167 121.317 125.164 -3.847 1 1 1 . 6 1 1 A 2 2 VAL HA H 2 3.850 5.049 -1.199 1 1 9 . 6 1 1 A 2 2 VAL CA C 2 61.400 59.748 1.652 1 1 10 . 6 1 1 A 2 2 VAL CB C 2 32.400 34.706 -2.306 1 1 13 . 6 1 1 A 3 3 GLN HA H 3 4.445 4.775 -0.330 1 1 18 . 6 1 1 A 3 3 GLN CA C 3 55.467 55.782 -0.315 1 1 19 . 6 1 1 A 3 3 GLN CB C 3 29.271 31.386 -2.115 1 1 21 . 6 1 1 A 4 4 GLN H H 4 8.703 8.873 -0.170 1 1 22 . 6 1 1 A 4 4 GLN HA H 4 4.356 4.726 -0.370 1 1 27 . 6 1 1 A 4 4 GLN CA C 4 55.961 54.874 1.087 1 1 28 . 6 1 1 A 4 4 GLN CB C 4 29.178 29.028 0.150 1 1 30 . 6 1 1 A 4 4 GLN N N 4 123.281 126.269 -2.988 1 1 31 . 6 1 1 A 5 5 SER H H 5 8.426 8.915 -0.489 1 1 32 . 6 1 1 A 5 5 SER HA H 5 4.424 4.855 -0.431 1 1 35 . 6 1 1 A 5 5 SER CA C 5 58.498 58.296 0.202 1 1 36 . 6 1 1 A 5 5 SER CB C 5 63.534 62.830 0.704 1 1 37 . 6 1 1 A 5 5 SER N N 5 116.845 123.755 -6.910 1 1 38 . 6 1 1 A 6 6 GLU H H 6 8.434 8.756 -0.322 1 1 39 . 6 1 1 A 6 6 GLU HA H 6 4.342 5.212 -0.870 1 1 44 . 6 1 1 A 6 6 GLU CA C 6 56.410 54.615 1.795 1 1 45 . 6 1 1 A 6 6 GLU CB C 6 29.873 33.905 -4.032 1 1 47 . 6 1 1 A 6 6 GLU N N 6 122.965 124.612 -1.647 1 1 48 . 6 1 1 A 7 7 VAL H H 7 8.131 8.697 -0.566 1 1 49 . 6 1 1 A 7 7 VAL HA H 7 4.063 4.754 -0.691 1 1 57 . 6 1 1 A 7 7 VAL CA C 7 62.213 60.339 1.874 1 1 58 . 6 1 1 A 7 7 VAL CB C 7 32.391 35.742 -3.351 1 1 61 . 6 1 1 A 7 7 VAL N N 7 121.508 121.850 -0.342 1 1 62 . 6 1 1 A 8 8 ARG H H 8 8.376 8.933 -0.557 1 1 63 . 6 1 1 A 8 8 ARG HA H 8 4.335 5.011 -0.676 1 1 70 . 6 1 1 A 8 8 ARG CA C 8 56.013 55.097 0.916 1 1 71 . 6 1 1 A 8 8 ARG CB C 8 30.528 33.397 -2.869 1 1 74 . 6 1 1 A 8 8 ARG N N 8 124.504 124.318 0.186 1 1 75 . 6 1 1 A 9 9 GLN H H 9 8.360 8.823 -0.463 1 1 76 . 6 1 1 A 9 9 GLN HA H 9 4.353 4.853 -0.500 1 1 81 . 6 1 1 A 9 9 GLN CA C 9 55.446 55.121 0.325 1 1 82 . 6 1 1 A 9 9 GLN CB C 9 29.236 30.369 -1.133 1 1 84 . 6 1 1 A 9 9 GLN N N 9 121.537 122.414 -0.877 1 1 85 . 6 1 1 A 10 10 MET H H 10 8.391 9.112 -0.721 1 1 86 . 6 1 1 A 10 10 MET HA H 10 4.459 5.258 -0.799 1 1 91 . 6 1 1 A 10 10 MET CA C 10 55.062 53.775 1.287 1 1 92 . 6 1 1 A 10 10 MET CB C 10 32.482 33.639 -1.157 1 1 94 . 6 1 1 A 10 10 MET N N 10 122.199 123.363 -1.164 1 1 95 . 6 1 1 A 11 11 LYS H H 11 8.317 8.543 -0.226 1 1 96 . 6 1 1 A 11 11 LYS HA H 11 4.296 4.917 -0.621 1 1 105 . 6 1 1 A 11 11 LYS CA C 11 56.114 55.668 0.446 1 1 106 . 6 1 1 A 11 11 LYS CB C 11 32.372 35.860 -3.488 1 1 110 . 6 1 1 A 11 11 LYS N N 11 122.440 124.054 -1.614 1 1 111 . 6 1 1 A 12 12 HIS H H 12 8.489 8.648 -0.159 1 1 112 . 6 1 1 A 12 12 HIS HA H 12 4.748 4.860 -0.112 1 1 116 . 6 1 1 A 12 12 HIS CA C 12 55.052 55.992 -0.940 1 1 117 . 6 1 1 A 12 12 HIS CB C 12 29.094 32.271 -3.177 1 1 119 . 6 1 1 A 12 12 HIS N N 12 119.934 126.202 -6.268 1 1 120 . 6 1 1 A 13 13 SER H H 13 8.401 8.946 -0.545 1 1 121 . 6 1 1 A 13 13 SER HA H 13 4.518 5.388 -0.870 1 1 124 . 6 1 1 A 13 13 SER CA C 13 57.855 56.533 1.322 1 1 125 . 6 1 1 A 13 13 SER CB C 13 63.750 64.685 -0.935 1 1 126 . 6 1 1 A 13 13 SER N N 13 117.596 119.512 -1.916 1 1 127 . 6 1 1 A 14 14 VAL H H 14 8.285 8.899 -0.614 1 1 128 . 6 1 1 A 14 14 VAL HA H 14 4.239 4.929 -0.690 1 1 136 . 6 1 1 A 14 14 VAL CA C 14 62.078 59.575 2.503 1 1 137 . 6 1 1 A 14 14 VAL CB C 14 32.564 34.950 -2.386 1 1 140 . 6 1 1 A 14 14 VAL N N 14 121.378 124.158 -2.780 1 1 141 . 6 1 1 A 15 15 SER H H 15 8.419 9.111 -0.692 1 1 142 . 6 1 1 A 15 15 SER HA H 15 4.556 5.334 -0.778 1 1 145 . 6 1 1 A 15 15 SER CA C 15 57.855 56.699 1.156 1 1 146 . 6 1 1 A 15 15 SER CB C 15 63.600 64.694 -1.094 1 1 147 . 6 1 1 A 15 15 SER N N 15 119.022 124.333 -5.311 1 1 148 . 6 1 1 A 16 16 THR H H 16 8.189 8.783 -0.594 1 1 149 . 6 1 1 A 16 16 THR HA H 16 4.362 4.992 -0.630 1 1 154 . 6 1 1 A 16 16 THR CA C 16 61.510 60.626 0.884 1 1 155 . 6 1 1 A 16 16 THR CB C 16 69.292 69.890 -0.598 1 1 157 . 6 1 1 A 16 16 THR N N 16 116.040 117.193 -1.153 1 1 158 . 6 1 1 A 17 17 LEU H H 17 8.168 8.867 -0.699 1 1 159 . 6 1 1 A 17 17 LEU HA H 17 4.331 4.581 -0.250 1 1 169 . 6 1 1 A 17 17 LEU CA C 17 55.446 54.446 1.000 1 1 170 . 6 1 1 A 17 17 LEU CB C 17 42.032 41.264 0.768 1 1 174 . 6 1 1 A 17 17 LEU N N 17 123.796 127.656 -3.860 1 1 175 . 6 1 1 A 18 18 ASN H H 18 8.406 8.811 -0.405 1 1 176 . 6 1 1 A 18 18 ASN HA H 18 4.685 4.931 -0.246 1 1 181 . 6 1 1 A 18 18 ASN CA C 18 53.276 53.001 0.275 1 1 182 . 6 1 1 A 18 18 ASN CB C 18 38.462 39.247 -0.785 1 1 183 . 6 1 1 A 18 18 ASN N N 18 119.197 124.423 -5.226 1 1 185 . 6 1 1 A 19 19 GLN H H 19 8.346 8.472 -0.126 1 1 186 . 6 1 1 A 19 19 GLN HA H 19 4.319 4.620 -0.301 1 1 193 . 6 1 1 A 19 19 GLN CA C 19 56.075 54.948 1.127 1 1 194 . 6 1 1 A 19 19 GLN CB C 19 29.077 30.454 -1.377 1 1 196 . 6 1 1 A 19 19 GLN N N 19 120.620 121.922 -1.302 1 1 198 . 6 1 1 A 20 20 GLU H H 20 8.474 8.420 0.054 1 1 199 . 6 1 1 A 20 20 GLU HA H 20 4.269 4.377 -0.108 1 1 204 . 6 1 1 A 20 20 GLU CA C 20 56.932 56.421 0.511 1 1 205 . 6 1 1 A 20 20 GLU CB C 20 29.694 30.285 -0.591 1 1 207 . 6 1 1 A 20 20 GLU N N 20 121.410 120.704 0.706 1 1 208 . 6 1 1 A 21 21 MET H H 21 8.366 8.798 -0.432 1 1 209 . 6 1 1 A 21 21 MET HA H 21 4.538 5.118 -0.580 1 1 214 . 6 1 1 A 21 21 MET CA C 21 55.812 53.981 1.831 1 1 215 . 6 1 1 A 21 21 MET CB C 21 32.188 37.650 -5.462 1 1 217 . 6 1 1 A 21 21 MET N N 21 120.618 121.056 -0.438 1 1 218 . 6 1 1 A 22 22 THR H H 22 8.127 8.336 -0.209 1 1 219 . 6 1 1 A 22 22 THR HA H 22 4.299 4.579 -0.280 1 1 224 . 6 1 1 A 22 22 THR CA C 22 62.287 60.435 1.852 1 1 225 . 6 1 1 A 22 22 THR CB C 22 69.174 70.586 -1.412 1 1 227 . 6 1 1 A 22 22 THR N N 22 114.858 112.991 1.867 1 1 228 . 6 1 1 A 23 23 GLN H H 23 8.342 8.374 -0.032 1 1 229 . 6 1 1 A 23 23 GLN HA H 23 4.339 4.530 -0.191 1 1 236 . 6 1 1 A 23 23 GLN CA C 23 56.148 55.472 0.676 1 1 237 . 6 1 1 A 23 23 GLN CB C 23 29.112 27.775 1.337 1 1 239 . 6 1 1 A 23 23 GLN N N 23 122.047 120.360 1.687 1 1 241 . 6 1 1 A 24 24 LEU H H 24 8.174 8.506 -0.332 1 1 242 . 6 1 1 A 24 24 LEU HA H 24 4.334 4.887 -0.553 1 1 252 . 6 1 1 A 24 24 LEU CA C 24 55.519 53.318 2.201 1 1 253 . 6 1 1 A 24 24 LEU CB C 24 42.146 44.706 -2.560 1 1 257 . 6 1 1 A 24 24 LEU N N 24 122.328 127.428 -5.100 1 1 258 . 6 1 1 A 25 25 ASN H H 25 8.384 8.932 -0.548 1 1 259 . 6 1 1 A 25 25 ASN HA H 25 4.692 4.399 0.293 1 1 264 . 6 1 1 A 25 25 ASN CA C 25 53.481 54.034 -0.553 1 1 265 . 6 1 1 A 25 25 ASN CB C 25 38.445 37.195 1.250 1 1 266 . 6 1 1 A 25 25 ASN N N 25 119.262 123.849 -4.587 1 1 268 . 6 1 1 A 26 26 GLN H H 26 8.453 8.407 0.046 1 1 269 . 6 1 1 A 26 26 GLN HA H 26 4.215 3.988 0.227 1 1 276 . 6 1 1 A 26 26 GLN CA C 26 57.037 59.013 -1.976 1 1 277 . 6 1 1 A 26 26 GLN CB C 26 28.996 28.467 0.529 1 1 279 . 6 1 1 A 26 26 GLN N N 26 120.394 122.688 -2.294 1 1 281 . 6 1 1 A 27 27 GLU H H 27 8.501 8.338 0.163 1 1 282 . 6 1 1 A 27 27 GLU HA H 27 4.202 4.053 0.149 1 1 287 . 6 1 1 A 27 27 GLU CA C 27 58.573 59.152 -0.579 1 1 288 . 6 1 1 A 27 27 GLU CB C 27 29.349 29.187 0.162 1 1 290 . 6 1 1 A 27 27 GLU N N 27 121.130 119.301 1.829 1 1 291 . 6 1 1 A 28 28 THR H H 28 8.032 8.209 -0.177 1 1 292 . 6 1 1 A 28 28 THR HA H 28 4.079 3.948 0.131 1 1 297 . 6 1 1 A 28 28 THR CA C 28 64.762 66.441 -1.679 1 1 298 . 6 1 1 A 28 28 THR CB C 28 68.354 68.165 0.189 1 1 300 . 6 1 1 A 28 28 THR N N 28 114.032 115.992 -1.960 1 1 301 . 6 1 1 A 29 29 VAL H H 29 7.969 8.364 -0.395 1 1 302 . 6 1 1 A 29 29 VAL HA H 29 3.812 3.555 0.257 1 1 310 . 6 1 1 A 29 29 VAL CA C 29 65.572 67.173 -1.601 1 1 311 . 6 1 1 A 29 29 VAL CB C 29 31.624 31.281 0.343 1 1 314 . 6 1 1 A 29 29 VAL N N 29 122.215 121.688 0.527 1 1 315 . 6 1 1 A 30 30 LYS H H 30 7.910 7.923 -0.013 1 1 316 . 6 1 1 A 30 30 LYS HA H 30 4.175 3.926 0.249 1 1 325 . 6 1 1 A 30 30 LYS CA C 30 57.780 59.876 -2.096 1 1 326 . 6 1 1 A 30 30 LYS CB C 30 31.537 32.481 -0.944 1 1 330 . 6 1 1 A 30 30 LYS N N 30 119.387 118.702 0.685 1 1 331 . 6 1 1 A 31 31 ILE H H 31 8.277 8.057 0.220 1 1 332 . 6 1 1 A 31 31 ILE HA H 31 3.602 3.604 -0.002 1 1 342 . 6 1 1 A 31 31 ILE CA C 31 65.712 65.424 0.288 1 1 343 . 6 1 1 A 31 31 ILE CB C 31 38.559 37.509 1.050 1 1 347 . 6 1 1 A 31 31 ILE N N 31 121.053 120.935 0.118 1 1 348 . 6 1 1 A 32 32 THR H H 32 7.896 8.397 -0.501 1 1 349 . 6 1 1 A 32 32 THR HA H 32 4.004 3.854 0.150 1 1 354 . 6 1 1 A 32 32 THR CA C 32 65.922 66.951 -1.029 1 1 355 . 6 1 1 A 32 32 THR CB C 32 68.400 68.317 0.083 1 1 357 . 6 1 1 A 32 32 THR N N 32 115.554 116.740 -1.186 1 1 358 . 6 1 1 A 33 33 GLN H H 33 8.279 8.236 0.043 1 1 359 . 6 1 1 A 33 33 GLN HA H 33 3.887 3.937 -0.050 1 1 366 . 6 1 1 A 33 33 GLN CA C 33 59.052 59.210 -0.158 1 1 367 . 6 1 1 A 33 33 GLN CB C 33 27.889 28.236 -0.347 1 1 369 . 6 1 1 A 33 33 GLN N N 33 120.920 121.408 -0.488 1 1 371 . 6 1 1 A 34 34 GLN H H 34 8.671 8.178 0.493 1 1 372 . 6 1 1 A 34 34 GLN HA H 34 3.615 3.973 -0.358 1 1 379 . 6 1 1 A 34 34 GLN CA C 34 60.424 58.969 1.455 1 1 380 . 6 1 1 A 34 34 GLN CB C 34 30.058 28.205 1.853 1 1 382 . 6 1 1 A 34 34 GLN N N 34 120.388 119.177 1.211 1 1 384 . 6 1 1 A 35 35 ASN H H 35 8.636 8.206 0.430 1 1 385 . 6 1 1 A 35 35 ASN HA H 35 4.595 4.475 0.120 1 1 390 . 6 1 1 A 35 35 ASN CA C 35 55.363 56.237 -0.874 1 1 391 . 6 1 1 A 35 35 ASN CB C 35 36.904 37.752 -0.848 1 1 392 . 6 1 1 A 35 35 ASN N N 35 116.477 118.419 -1.942 1 1 394 . 6 1 1 A 36 36 ARG H H 36 8.321 7.874 0.447 1 1 395 . 6 1 1 A 36 36 ARG HA H 36 4.142 4.005 0.137 1 1 402 . 6 1 1 A 36 36 ARG CA C 36 58.582 59.459 -0.877 1 1 403 . 6 1 1 A 36 36 ARG CB C 36 29.712 30.208 -0.496 1 1 406 . 6 1 1 A 36 36 ARG N N 36 121.347 119.708 1.639 1 1 407 . 6 1 1 A 37 37 LEU H H 37 8.251 8.269 -0.018 1 1 408 . 6 1 1 A 37 37 LEU HA H 37 3.788 3.756 0.032 1 1 418 . 6 1 1 A 37 37 LEU CA C 37 57.094 57.764 -0.670 1 1 419 . 6 1 1 A 37 37 LEU CB C 37 40.554 40.223 0.331 1 1 423 . 6 1 1 A 37 37 LEU N N 37 120.862 119.662 1.200 1 1 424 . 6 1 1 A 38 38 ASN H H 38 8.047 8.274 -0.227 1 1 425 . 6 1 1 A 38 38 ASN HA H 38 5.134 4.836 0.298 1 1 430 . 6 1 1 A 38 38 ASN CA C 38 54.413 57.616 -3.203 1 1 431 . 6 1 1 A 38 38 ASN CB C 38 38.069 39.792 -1.723 1 1 432 . 6 1 1 A 38 38 ASN N N 38 115.574 118.638 -3.064 1 1 434 . 6 1 1 A 39 39 ALA H H 39 7.878 8.376 -0.498 1 1 435 . 6 1 1 A 39 39 ALA HA H 39 4.342 4.066 0.276 1 1 439 . 6 1 1 A 39 39 ALA CA C 39 53.981 55.100 -1.119 1 1 440 . 6 1 1 A 39 39 ALA CB C 39 18.340 18.655 -0.315 1 1 441 . 6 1 1 A 39 39 ALA N N 39 123.076 121.439 1.637 1 1 442 . 6 1 1 A 40 40 LYS H H 40 7.431 7.685 -0.254 1 1 443 . 6 1 1 A 40 40 LYS HA H 40 4.528 4.320 0.208 1 1 452 . 6 1 1 A 40 40 LYS CA C 40 55.285 58.088 -2.803 1 1 453 . 6 1 1 A 40 40 LYS CB C 40 32.852 33.051 -0.199 1 1 457 . 6 1 1 A 40 40 LYS N N 40 114.889 116.609 -1.720 1 1 458 . 6 1 1 A 41 41 SER H H 41 7.671 7.645 0.026 1 1 459 . 6 1 1 A 41 41 SER HA H 41 4.615 4.515 0.100 1 1 462 . 6 1 1 A 41 41 SER CA C 41 58.189 58.674 -0.485 1 1 463 . 6 1 1 A 41 41 SER CB C 41 63.924 64.036 -0.112 1 1 464 . 6 1 1 A 41 41 SER N N 41 114.795 115.817 -1.022 1 1 465 . 6 1 1 A 42 42 SER H H 42 8.927 8.856 0.071 1 1 466 . 6 1 1 A 42 42 SER HA H 42 4.792 4.807 -0.015 1 1 469 . 6 1 1 A 42 42 SER CA C 42 58.133 57.315 0.818 1 1 470 . 6 1 1 A 42 42 SER CB C 42 63.712 64.159 -0.447 1 1 471 . 6 1 1 A 42 42 SER N N 42 120.934 121.974 -1.040 1 1 472 . 6 1 1 A 43 43 SER H H 43 8.320 7.199 1.121 1 1 473 . 6 1 1 A 43 43 SER HA H 43 4.654 4.697 -0.043 1 1 476 . 6 1 1 A 43 43 SER CA C 43 57.309 57.861 -0.552 1 1 477 . 6 1 1 A 43 43 SER CB C 43 63.151 64.234 -1.083 1 1 478 . 6 1 1 A 43 43 SER N N 43 115.966 116.180 -0.214 1 1 479 . 6 1 1 A 44 44 GLY H H 44 8.182 7.328 0.854 1 1 480 . 6 1 1 A 44 44 GLY HA2 H 44 4.206 4.081 0.125 1 1 481 . 6 1 1 A 44 44 GLY HA3 H 44 4.399 4.099 0.300 1 1 482 . 6 1 1 A 44 44 GLY CA C 44 44.540 44.300 0.240 1 1 483 . 6 1 1 A 44 44 GLY N N 44 110.764 108.843 1.921 1 1 484 . 6 1 1 A 45 45 VAL H H 45 8.341 8.119 0.222 1 1 485 . 6 1 1 A 45 45 VAL HA H 45 4.845 5.076 -0.231 1 1 493 . 6 1 1 A 45 45 VAL CA C 45 58.981 59.510 -0.529 1 1 494 . 6 1 1 A 45 45 VAL CB C 45 35.239 34.557 0.682 1 1 497 . 6 1 1 A 45 45 VAL N N 45 114.116 115.786 -1.670 1 1 498 . 6 1 1 A 46 46 TYR H H 46 10.501 9.000 1.501 1 1 499 . 6 1 1 A 46 46 TYR HA H 46 5.004 5.071 -0.067 1 1 506 . 6 1 1 A 46 46 TYR CA C 46 58.121 57.338 0.783 1 1 507 . 6 1 1 A 46 46 TYR CB C 46 41.382 38.147 3.235 1 1 510 . 6 1 1 A 46 46 TYR N N 46 123.384 124.545 -1.161 1 1 511 . 6 1 1 A 47 47 LEU H H 47 9.364 9.392 -0.028 1 1 512 . 6 1 1 A 47 47 LEU HA H 47 4.695 4.927 -0.232 1 1 522 . 6 1 1 A 47 47 LEU CA C 47 52.769 54.140 -1.371 1 1 523 . 6 1 1 A 47 47 LEU CB C 47 44.689 41.538 3.151 1 1 527 . 6 1 1 A 47 47 LEU N N 47 118.822 126.717 -7.895 1 1 528 . 6 1 1 A 48 48 LEU H H 48 9.128 9.119 0.009 1 1 529 . 6 1 1 A 48 48 LEU HA H 48 5.232 4.668 0.564 1 1 539 . 6 1 1 A 48 48 LEU CA C 48 51.100 52.402 -1.302 1 1 540 . 6 1 1 A 48 48 LEU CB C 48 40.141 41.460 -1.319 1 1 544 . 6 1 1 A 48 48 LEU N N 48 123.384 126.544 -3.160 1 1 545 . 6 1 1 A 49 49 PRO HA H 49 4.090 4.338 -0.248 1 1 552 . 6 1 1 A 49 49 PRO CA C 49 64.912 64.336 0.576 1 1 553 . 6 1 1 A 49 49 PRO CB C 49 31.607 31.863 -0.256 1 1 556 . 6 1 1 A 50 50 GLY H H 50 9.181 8.501 0.680 1 1 557 . 6 1 1 A 50 50 GLY HA2 H 50 3.933 3.960 -0.027 1 1 558 . 6 1 1 A 50 50 GLY HA3 H 50 4.757 3.963 0.794 1 1 559 . 6 1 1 A 50 50 GLY CA C 50 45.499 45.356 0.143 1 1 560 . 6 1 1 A 50 50 GLY N N 50 106.827 106.952 -0.125 1 1 561 . 6 1 1 A 51 51 ALA H H 51 7.857 8.038 -0.181 1 1 562 . 6 1 1 A 51 51 ALA HA H 51 4.264 4.439 -0.175 1 1 566 . 6 1 1 A 51 51 ALA CA C 51 53.156 50.770 2.386 1 1 567 . 6 1 1 A 51 51 ALA CB C 51 18.492 19.381 -0.889 1 1 568 . 6 1 1 A 51 51 ALA N N 51 120.192 123.050 -2.858 1 1 569 . 6 1 1 A 52 52 LYS H H 52 7.787 8.771 -0.984 1 1 570 . 6 1 1 A 52 52 LYS HA H 52 4.094 4.433 -0.339 1 1 579 . 6 1 1 A 52 52 LYS CA C 52 56.979 56.075 0.904 1 1 580 . 6 1 1 A 52 52 LYS CB C 52 30.731 31.428 -0.697 1 1 584 . 6 1 1 A 52 52 LYS N N 52 115.260 125.985 -10.725 1 1 585 . 6 1 1 A 53 53 THR H H 53 8.043 8.287 -0.244 1 1 586 . 6 1 1 A 53 53 THR HA H 53 4.924 4.950 -0.026 1 1 591 . 6 1 1 A 53 53 THR CA C 53 59.565 58.811 0.754 1 1 592 . 6 1 1 A 53 53 THR CB C 53 72.729 71.031 1.698 1 1 594 . 6 1 1 A 53 53 THR N N 53 114.085 115.672 -1.587 1 1 595 . 6 1 1 A 54 54 PRO HA H 54 4.860 4.897 -0.037 1 1 602 . 6 1 1 A 54 54 PRO CA C 54 62.176 62.294 -0.118 1 1 603 . 6 1 1 A 54 54 PRO CB C 54 32.820 32.632 0.188 1 1 606 . 6 1 1 A 55 55 ALA H H 55 8.834 8.595 0.239 1 1 607 . 6 1 1 A 55 55 ALA HA H 55 4.824 4.999 -0.175 1 1 611 . 6 1 1 A 55 55 ALA CA C 55 50.500 50.480 0.020 1 1 612 . 6 1 1 A 55 55 ALA CB C 55 22.858 22.101 0.757 1 1 613 . 6 1 1 A 55 55 ALA N N 55 122.227 123.235 -1.008 1 1 614 . 6 1 1 A 56 56 ARG H H 56 8.445 8.677 -0.232 1 1 615 . 6 1 1 A 56 56 ARG HA H 56 5.262 4.843 0.419 1 1 623 . 6 1 1 A 56 56 ARG CA C 56 54.401 55.797 -1.396 1 1 624 . 6 1 1 A 56 56 ARG CB C 56 32.849 31.347 1.502 1 1 627 . 6 1 1 A 56 56 ARG N N 56 121.194 123.112 -1.918 1 1 629 . 6 1 1 A 57 57 LEU H H 57 9.159 9.256 -0.097 1 1 630 . 6 1 1 A 57 57 LEU HA H 57 4.672 5.014 -0.342 1 1 640 . 6 1 1 A 57 57 LEU CA C 57 53.028 53.554 -0.526 1 1 641 . 6 1 1 A 57 57 LEU CB C 57 46.231 45.930 0.301 1 1 645 . 6 1 1 A 57 57 LEU N N 57 125.694 128.278 -2.584 1 1 646 . 6 1 1 A 58 58 GLU H H 58 8.890 8.882 0.008 1 1 647 . 6 1 1 A 58 58 GLU HA H 58 4.535 4.659 -0.124 1 1 652 . 6 1 1 A 58 58 GLU CA C 58 55.733 55.453 0.280 1 1 653 . 6 1 1 A 58 58 GLU CB C 58 27.970 30.230 -2.260 1 1 655 . 6 1 1 A 58 58 GLU N N 58 127.677 128.546 -0.869 1 1 656 . 6 1 1 A 59 59 SER H H 59 7.772 8.942 -1.170 1 1 657 . 6 1 1 A 59 59 SER HA H 59 4.970 4.908 0.062 1 1 661 . 6 1 1 A 59 59 SER CA C 59 57.576 56.387 1.189 1 1 662 . 6 1 1 A 59 59 SER CB C 59 69.174 64.332 4.842 1 1 663 . 6 1 1 A 59 59 SER N N 59 121.860 120.975 0.885 1 1 664 . 6 1 1 A 60 60 GLN H H 60 9.336 8.059 1.277 1 1 665 . 6 1 1 A 60 60 GLN HA H 60 4.262 4.079 0.183 1 1 672 . 6 1 1 A 60 60 GLN CA C 60 57.792 58.494 -0.702 1 1 673 . 6 1 1 A 60 60 GLN CB C 60 29.669 28.597 1.072 1 1 675 . 6 1 1 A 60 60 GLN N N 60 119.522 117.931 1.591 1 1 677 . 6 1 1 A 61 61 ILE H H 61 8.007 7.336 0.671 1 1 678 . 6 1 1 A 61 61 ILE HA H 61 4.623 4.179 0.444 1 1 688 . 6 1 1 A 61 61 ILE CA C 61 59.813 61.882 -2.069 1 1 689 . 6 1 1 A 61 61 ILE CB C 61 37.013 38.747 -1.734 1 1 693 . 6 1 1 A 61 61 ILE N N 61 109.398 112.543 -3.145 1 1 694 . 6 1 1 A 62 62 GLY H H 62 7.223 6.841 0.382 1 1 695 . 6 1 1 A 62 62 GLY HA2 H 62 4.493 4.073 0.420 1 1 696 . 6 1 1 A 62 62 GLY HA3 H 62 3.872 4.083 -0.211 1 1 697 . 6 1 1 A 62 62 GLY CA C 62 43.022 44.771 -1.749 1 1 698 . 6 1 1 A 62 62 GLY N N 62 109.035 109.035 0.000 1 1 699 . 6 1 1 A 63 63 THR H H 63 8.910 8.446 0.464 1 1 700 . 6 1 1 A 63 63 THR HA H 63 4.599 4.644 -0.045 1 1 705 . 6 1 1 A 63 63 THR CA C 63 64.037 63.030 1.007 1 1 706 . 6 1 1 A 63 63 THR CB C 63 68.111 69.778 -1.667 1 1 708 . 6 1 1 A 63 63 THR N N 63 119.711 116.632 3.079 1 1 709 . 6 1 1 A 64 64 LEU H H 64 9.070 8.913 0.157 1 1 710 . 6 1 1 A 64 64 LEU HA H 64 5.120 5.316 -0.196 1 1 720 . 6 1 1 A 64 64 LEU CA C 64 52.680 52.785 -0.105 1 1 721 . 6 1 1 A 64 64 LEU CB C 64 44.749 46.429 -1.680 1 1 725 . 6 1 1 A 64 64 LEU N N 64 127.640 122.630 5.010 1 1 726 . 6 1 1 A 65 65 ARG H H 65 9.271 8.893 0.378 1 1 727 . 6 1 1 A 65 65 ARG HA H 65 4.989 5.356 -0.367 1 1 735 . 6 1 1 A 65 65 ARG CA C 65 54.814 54.455 0.359 1 1 736 . 6 1 1 A 65 65 ARG CB C 65 31.836 33.540 -1.704 1 1 739 . 6 1 1 A 65 65 ARG N N 65 122.680 119.666 3.014 1 1 741 . 6 1 1 A 66 66 MET H H 66 9.310 9.240 0.070 1 1 742 . 6 1 1 A 66 66 MET HA H 66 5.822 5.984 -0.162 1 1 747 . 6 1 1 A 66 66 MET CA C 66 53.936 53.972 -0.036 1 1 748 . 6 1 1 A 66 66 MET CB C 66 35.912 36.226 -0.314 1 1 750 . 6 1 1 A 66 66 MET N N 66 125.309 126.209 -0.900 1 1 751 . 6 1 1 A 67 67 SER H H 67 8.943 8.620 0.323 1 1 752 . 6 1 1 A 67 67 SER HA H 67 4.660 4.895 -0.235 1 1 755 . 6 1 1 A 67 67 SER CA C 67 57.460 56.617 0.843 1 1 756 . 6 1 1 A 67 67 SER CB C 67 65.747 65.049 0.698 1 1 757 . 6 1 1 A 67 67 SER N N 67 112.115 115.809 -3.694 1 1 758 . 6 1 1 A 68 68 LEU H H 68 8.410 8.498 -0.088 1 1 759 . 6 1 1 A 68 68 LEU HA H 68 5.115 5.111 0.004 1 1 769 . 6 1 1 A 68 68 LEU CA C 68 52.837 53.449 -0.612 1 1 770 . 6 1 1 A 68 68 LEU CB C 68 42.269 43.642 -1.373 1 1 774 . 6 1 1 A 68 68 LEU N N 68 118.367 123.365 -4.998 1 1 775 . 6 1 1 A 69 69 VAL H H 69 9.060 8.367 0.693 1 1 776 . 6 1 1 A 69 69 VAL HA H 69 4.440 4.585 -0.145 1 1 784 . 6 1 1 A 69 69 VAL CA C 69 59.852 59.458 0.394 1 1 785 . 6 1 1 A 69 69 VAL CB C 69 35.349 35.301 0.048 1 1 788 . 6 1 1 A 69 69 VAL N N 69 119.888 118.902 0.986 1 1 789 . 6 1 1 A 70 70 ASN H H 70 8.651 8.773 -0.122 1 1 790 . 6 1 1 A 70 70 ASN HA H 70 4.345 4.273 0.072 1 1 795 . 6 1 1 A 70 70 ASN CA C 70 53.555 54.138 -0.583 1 1 796 . 6 1 1 A 70 70 ASN CB C 70 36.932 36.706 0.226 1 1 797 . 6 1 1 A 70 70 ASN N N 70 119.166 117.827 1.339 1 1 799 . 6 1 1 A 71 71 ILE H H 71 8.449 8.032 0.417 1 1 800 . 6 1 1 A 71 71 ILE HA H 71 4.235 4.076 0.159 1 1 810 . 6 1 1 A 71 71 ILE CA C 71 63.104 61.875 1.229 1 1 811 . 6 1 1 A 71 71 ILE CB C 71 37.200 36.679 0.521 1 1 815 . 6 1 1 A 71 71 ILE N N 71 121.388 119.375 2.013 1 1 816 . 6 1 1 A 72 72 THR H H 72 9.511 8.738 0.773 1 1 817 . 6 1 1 A 72 72 THR HA H 72 4.967 5.071 -0.104 1 1 822 . 6 1 1 A 72 72 THR CA C 72 59.584 58.512 1.072 1 1 823 . 6 1 1 A 72 72 THR CB C 72 71.930 70.472 1.458 1 1 825 . 6 1 1 A 72 72 THR N N 72 125.726 117.733 7.993 1 1 826 . 6 1 1 A 73 73 PRO HA H 73 4.822 4.530 0.292 1 1 833 . 6 1 1 A 73 73 PRO CA C 73 63.362 62.966 0.396 1 1 834 . 6 1 1 A 73 73 PRO CB C 73 32.451 32.847 -0.396 1 1 837 . 6 1 1 A 74 74 ASP H H 74 8.404 8.760 -0.356 1 1 838 . 6 1 1 A 74 74 ASP HA H 74 4.824 5.060 -0.236 1 1 841 . 6 1 1 A 74 74 ASP CA C 74 52.609 53.266 -0.657 1 1 842 . 6 1 1 A 74 74 ASP CB C 74 43.743 44.402 -0.659 1 1 843 . 6 1 1 A 74 74 ASP N N 74 122.325 121.618 0.707 1 1 844 . 6 1 1 A 75 75 ALA H H 75 8.539 8.823 -0.284 1 1 845 . 6 1 1 A 75 75 ALA HA H 75 4.062 4.085 -0.023 1 1 849 . 6 1 1 A 75 75 ALA CA C 75 54.431 55.348 -0.917 1 1 850 . 6 1 1 A 75 75 ALA CB C 75 18.117 18.119 -0.002 1 1 851 . 6 1 1 A 75 75 ALA N N 75 123.501 126.084 -2.583 1 1 852 . 6 1 1 A 76 76 ASP H H 76 8.356 8.115 0.241 1 1 853 . 6 1 1 A 76 76 ASP HA H 76 4.815 4.533 0.282 1 1 856 . 6 1 1 A 76 76 ASP CA C 76 53.161 55.783 -2.622 1 1 857 . 6 1 1 A 76 76 ASP CB C 76 41.234 41.785 -0.551 1 1 858 . 6 1 1 A 76 76 ASP N N 76 115.326 117.196 -1.870 1 1 859 . 6 1 1 A 77 77 GLY H H 77 7.569 7.406 0.163 1 1 860 . 6 1 1 A 77 77 GLY HA2 H 77 3.925 4.105 -0.180 1 1 861 . 6 1 1 A 77 77 GLY HA3 H 77 4.508 4.107 0.401 1 1 862 . 6 1 1 A 77 77 GLY CA C 77 46.675 46.177 0.498 1 1 863 . 6 1 1 A 77 77 GLY N N 77 109.452 103.971 5.481 1 1 864 . 6 1 1 A 78 78 THR H H 78 8.272 8.458 -0.186 1 1 865 . 6 1 1 A 78 78 THR HA H 78 4.655 4.985 -0.330 1 1 870 . 6 1 1 A 78 78 THR CA C 78 63.204 61.145 2.059 1 1 871 . 6 1 1 A 78 78 THR CB C 78 72.222 71.766 0.456 1 1 873 . 6 1 1 A 78 78 THR N N 78 122.442 115.532 6.910 1 1 874 . 6 1 1 A 79 79 THR H H 79 9.027 8.778 0.249 1 1 875 . 6 1 1 A 79 79 THR HA H 79 5.164 5.451 -0.287 1 1 880 . 6 1 1 A 79 79 THR CA C 79 60.303 60.214 0.089 1 1 881 . 6 1 1 A 79 79 THR CB C 79 70.442 70.471 -0.029 1 1 883 . 6 1 1 A 79 79 THR N N 79 121.451 118.790 2.661 1 1 884 . 6 1 1 A 80 80 LEU H H 80 8.698 8.879 -0.181 1 1 885 . 6 1 1 A 80 80 LEU HA H 80 4.835 5.012 -0.177 1 1 895 . 6 1 1 A 80 80 LEU CA C 80 54.194 53.464 0.730 1 1 896 . 6 1 1 A 80 80 LEU CB C 80 44.576 45.944 -1.368 1 1 900 . 6 1 1 A 80 80 LEU N N 80 119.374 122.759 -3.385 1 1 901 . 6 1 1 A 81 81 THR H H 81 8.675 8.975 -0.300 1 1 902 . 6 1 1 A 81 81 THR HA H 81 4.740 4.987 -0.247 1 1 907 . 6 1 1 A 81 81 THR CA C 81 61.838 62.153 -0.315 1 1 908 . 6 1 1 A 81 81 THR CB C 81 70.190 69.620 0.570 1 1 910 . 6 1 1 A 81 81 THR N N 81 116.982 116.624 0.358 1 1 911 . 6 1 1 A 82 82 LEU H H 82 8.898 9.075 -0.177 1 1 912 . 6 1 1 A 82 82 LEU HA H 82 4.748 4.831 -0.083 1 1 922 . 6 1 1 A 82 82 LEU CA C 82 53.076 54.220 -1.144 1 1 923 . 6 1 1 A 82 82 LEU CB C 82 43.189 43.169 0.020 1 1 927 . 6 1 1 A 82 82 LEU N N 82 130.905 129.958 0.947 1 1 928 . 6 1 1 A 83 83 ARG H H 83 9.162 8.765 0.397 1 1 929 . 6 1 1 A 83 83 ARG HA H 83 5.174 4.901 0.273 1 1 936 . 6 1 1 A 83 83 ARG CA C 83 54.441 55.307 -0.866 1 1 937 . 6 1 1 A 83 83 ARG CB C 83 31.332 31.786 -0.454 1 1 940 . 6 1 1 A 83 83 ARG N N 83 131.064 126.438 4.626 1 1 941 . 6 1 1 A 84 84 ILE H H 84 9.474 9.358 0.116 1 1 942 . 6 1 1 A 84 84 ILE HA H 84 4.611 4.891 -0.280 1 1 952 . 6 1 1 A 84 84 ILE CA C 84 60.486 60.682 -0.196 1 1 953 . 6 1 1 A 84 84 ILE CB C 84 40.120 38.550 1.570 1 1 957 . 6 1 1 A 84 84 ILE N N 84 128.394 124.840 3.554 1 1 958 . 6 1 1 A 85 85 GLN H H 85 9.137 9.053 0.084 1 1 959 . 6 1 1 A 85 85 GLN HA H 85 5.457 4.851 0.606 1 1 966 . 6 1 1 A 85 85 GLN CA C 85 53.109 54.911 -1.802 1 1 967 . 6 1 1 A 85 85 GLN CB C 85 32.450 31.013 1.437 1 1 969 . 6 1 1 A 85 85 GLN N N 85 124.857 126.837 -1.980 1 1 971 . 6 1 1 A 86 86 GLY H H 86 9.090 8.365 0.725 1 1 972 . 6 1 1 A 86 86 GLY HA2 H 86 3.813 4.429 -0.616 1 1 973 . 6 1 1 A 86 86 GLY HA3 H 86 4.499 4.436 0.063 1 1 974 . 6 1 1 A 86 86 GLY CA C 86 44.877 44.698 0.179 1 1 975 . 6 1 1 A 86 86 GLY N N 86 110.702 107.202 3.500 1 1 976 . 6 1 1 A 87 87 GLU H H 87 8.128 8.575 -0.447 1 1 977 . 6 1 1 A 87 87 GLU HA H 87 4.472 4.039 0.433 1 1 982 . 6 1 1 A 87 87 GLU CA C 87 56.057 58.744 -2.687 1 1 983 . 6 1 1 A 87 87 GLU CB C 87 29.943 29.476 0.467 1 1 985 . 6 1 1 A 87 87 GLU N N 87 120.445 121.473 -1.028 1 1 986 . 6 1 1 A 88 88 SER H H 88 8.063 7.848 0.215 1 1 987 . 6 1 1 A 88 88 SER HA H 88 4.469 4.472 -0.003 1 1 990 . 6 1 1 A 88 88 SER CA C 88 57.472 57.216 0.256 1 1 991 . 6 1 1 A 88 88 SER CB C 88 63.799 64.168 -0.369 1 1 992 . 6 1 1 A 88 88 SER N N 88 113.821 113.921 -0.100 1 1 993 . 6 1 1 A 89 89 ASN H H 89 8.502 8.754 -0.252 1 1 994 . 6 1 1 A 89 89 ASN HA H 89 4.533 4.591 -0.058 1 1 999 . 6 1 1 A 89 89 ASN CA C 89 53.715 56.250 -2.535 1 1 1000 . 6 1 1 A 89 89 ASN CB C 89 38.212 38.681 -0.469 1 1 1001 . 6 1 1 A 89 89 ASN N N 89 119.482 122.776 -3.294 1 1 1003 . 6 1 1 A 90 90 ASP H H 90 8.104 8.019 0.085 1 1 1004 . 6 1 1 A 90 90 ASP HA H 90 5.061 4.764 0.297 1 1 1007 . 6 1 1 A 90 90 ASP CA C 90 51.392 53.072 -1.680 1 1 1008 . 6 1 1 A 90 90 ASP CB C 90 41.223 40.345 0.878 1 1 1009 . 6 1 1 A 90 90 ASP N N 90 119.891 118.641 1.250 1 1 1010 . 6 1 1 A 91 91 PRO HA H 91 4.156 4.870 -0.714 1 1 1017 . 6 1 1 A 91 91 PRO CA C 91 62.200 62.611 -0.411 1 1 1018 . 6 1 1 A 91 91 PRO CB C 91 30.844 32.317 -1.473 1 1 1021 . 6 1 1 A 92 92 LEU H H 92 8.206 8.472 -0.266 1 1 1022 . 6 1 1 A 92 92 LEU HA H 92 4.504 4.912 -0.408 1 1 1032 . 6 1 1 A 92 92 LEU CA C 92 52.697 51.758 0.939 1 1 1033 . 6 1 1 A 92 92 LEU CB C 92 41.249 44.806 -3.557 1 1 1037 . 6 1 1 A 92 92 LEU N N 92 123.954 122.275 1.679 1 1 1038 . 6 1 1 A 93 93 PRO HA H 93 4.808 4.662 0.146 1 1 1045 . 6 1 1 A 93 93 PRO CA C 93 61.122 62.303 -1.181 1 1 1046 . 6 1 1 A 93 93 PRO CB C 93 32.289 32.690 -0.401 1 1 1049 . 6 1 1 A 94 94 ALA H H 94 8.420 8.400 0.020 1 1 1050 . 6 1 1 A 94 94 ALA HA H 94 4.164 4.495 -0.331 1 1 1054 . 6 1 1 A 94 94 ALA CA C 94 52.655 52.467 0.188 1 1 1055 . 6 1 1 A 94 94 ALA CB C 94 18.563 19.958 -1.395 1 1 1056 . 6 1 1 A 94 94 ALA N N 94 120.368 123.143 -2.775 1 1 1057 . 6 1 1 A 95 95 PHE H H 95 7.961 7.891 0.070 1 1 1058 . 6 1 1 A 95 95 PHE HA H 95 5.489 5.386 0.103 1 1 1066 . 6 1 1 A 95 95 PHE CA C 95 56.213 55.892 0.321 1 1 1067 . 6 1 1 A 95 95 PHE CB C 95 41.552 41.848 -0.296 1 1 1071 . 6 1 1 A 95 95 PHE N N 95 115.209 116.539 -1.330 1 1 1072 . 6 1 1 A 96 96 SER H H 96 9.231 9.013 0.218 1 1 1073 . 6 1 1 A 96 96 SER HA H 96 5.427 5.317 0.110 1 1 1076 . 6 1 1 A 96 96 SER CA C 96 55.549 57.479 -1.930 1 1 1077 . 6 1 1 A 96 96 SER CB C 96 66.681 66.916 -0.235 1 1 1078 . 6 1 1 A 96 96 SER N N 96 114.106 115.120 -1.014 1 1 1079 . 6 1 1 A 97 97 GLY H H 97 8.269 8.211 0.058 1 1 1080 . 6 1 1 A 97 97 GLY HA2 H 97 4.612 4.208 0.404 1 1 1081 . 6 1 1 A 97 97 GLY HA3 H 97 3.571 4.233 -0.662 1 1 1082 . 6 1 1 A 97 97 GLY CA C 97 45.139 45.742 -0.603 1 1 1083 . 6 1 1 A 97 97 GLY N N 97 104.730 109.495 -4.765 1 1 1084 . 6 1 1 A 98 98 THR H H 98 8.068 8.411 -0.343 1 1 1085 . 6 1 1 A 98 98 THR HA H 98 4.836 5.130 -0.294 1 1 1090 . 6 1 1 A 98 98 THR CA C 98 62.462 61.582 0.880 1 1 1091 . 6 1 1 A 98 98 THR CB C 98 70.240 70.355 -0.115 1 1 1093 . 6 1 1 A 98 98 THR N N 98 115.596 116.072 -0.476 1 1 1094 . 6 1 1 A 99 99 VAL H H 99 9.016 9.506 -0.490 1 1 1095 . 6 1 1 A 99 99 VAL HA H 99 5.040 4.986 0.054 1 1 1103 . 6 1 1 A 99 99 VAL CA C 99 59.695 59.750 -0.055 1 1 1104 . 6 1 1 A 99 99 VAL CB C 99 33.810 34.313 -0.503 1 1 1107 . 6 1 1 A 99 99 VAL N N 99 124.571 122.293 2.278 1 1 1108 . 6 1 1 A 100 100 GLU H H 100 9.595 9.233 0.362 1 1 1109 . 6 1 1 A 100 100 GLU HA H 100 5.463 5.057 0.406 1 1 1114 . 6 1 1 A 100 100 GLU CA C 100 53.132 55.104 -1.972 1 1 1115 . 6 1 1 A 100 100 GLU CB C 100 31.806 31.240 0.566 1 1 1117 . 6 1 1 A 100 100 GLU N N 100 125.607 124.276 1.331 1 1 1118 . 6 1 1 A 101 101 TYR H H 101 8.576 8.708 -0.132 1 1 1119 . 6 1 1 A 101 101 TYR HA H 101 4.568 5.365 -0.797 1 1 1126 . 6 1 1 A 101 101 TYR CA C 101 54.809 55.126 -0.317 1 1 1127 . 6 1 1 A 101 101 TYR CB C 101 39.516 41.842 -2.326 1 1 1130 . 6 1 1 A 101 101 TYR N N 101 117.224 121.077 -3.853 1 1 1131 . 6 1 1 A 102 102 GLY H H 102 6.489 7.244 -0.755 1 1 1132 . 6 1 1 A 102 102 GLY HA2 H 102 3.948 4.238 -0.290 1 1 1133 . 6 1 1 A 102 102 GLY HA3 H 102 4.190 4.271 -0.081 1 1 1134 . 6 1 1 A 102 102 GLY CA C 102 46.509 46.005 0.504 1 1 1135 . 6 1 1 A 102 102 GLY N N 102 103.890 106.132 -2.242 1 1 1136 . 6 1 1 A 103 103 GLN H H 103 8.789 8.881 -0.092 1 1 1137 . 6 1 1 A 103 103 GLN HA H 103 4.893 5.146 -0.253 1 1 1144 . 6 1 1 A 103 103 GLN CA C 103 54.742 54.586 0.156 1 1 1145 . 6 1 1 A 103 103 GLN CB C 103 31.972 31.765 0.207 1 1 1147 . 6 1 1 A 103 103 GLN N N 103 121.055 120.239 0.816 1 1 1149 . 6 1 1 A 104 104 ILE H H 104 8.877 9.018 -0.141 1 1 1150 . 6 1 1 A 104 104 ILE HA H 104 5.033 4.609 0.424 1 1 1160 . 6 1 1 A 104 104 ILE CA C 104 59.495 60.627 -1.132 1 1 1161 . 6 1 1 A 104 104 ILE CB C 104 40.485 39.332 1.153 1 1 1165 . 6 1 1 A 104 104 ILE N N 104 119.483 123.041 -3.558 1 1 1166 . 6 1 1 A 105 105 GLN H H 105 8.807 8.434 0.373 1 1 1167 . 6 1 1 A 105 105 GLN HA H 105 4.785 4.375 0.410 1 1 1174 . 6 1 1 A 105 105 GLN CA C 105 53.586 56.266 -2.680 1 1 1175 . 6 1 1 A 105 105 GLN CB C 105 32.029 29.076 2.953 1 1 1177 . 6 1 1 A 105 105 GLN N N 105 126.014 124.730 1.284 1 1 1179 . 6 1 1 A 106 106 GLY H H 106 8.680 7.921 0.759 1 1 1180 . 6 1 1 A 106 106 GLY HA2 H 106 4.878 4.036 0.842 1 1 1181 . 6 1 1 A 106 106 GLY HA3 H 106 3.898 4.069 -0.171 1 1 1182 . 6 1 1 A 106 106 GLY CA C 106 43.994 44.179 -0.185 1 1 1183 . 6 1 1 A 106 106 GLY N N 106 111.899 109.911 1.988 1 1 1184 . 6 1 1 A 107 107 THR H H 107 7.984 8.409 -0.425 1 1 1185 . 6 1 1 A 107 107 THR HA H 107 4.571 4.693 -0.122 1 1 1190 . 6 1 1 A 107 107 THR CA C 107 59.611 60.286 -0.675 1 1 1191 . 6 1 1 A 107 107 THR CB C 107 71.146 72.014 -0.868 1 1 1193 . 6 1 1 A 107 107 THR N N 107 111.498 110.990 0.508 1 1 1194 . 6 1 1 A 108 108 ILE H H 108 8.345 8.924 -0.579 1 1 1195 . 6 1 1 A 108 108 ILE HA H 108 3.775 3.748 0.027 1 1 1205 . 6 1 1 A 108 108 ILE CA C 108 62.916 64.340 -1.424 1 1 1206 . 6 1 1 A 108 108 ILE CB C 108 37.737 37.463 0.274 1 1 1210 . 6 1 1 A 108 108 ILE N N 108 117.576 122.398 -4.822 1 1 1211 . 6 1 1 A 109 109 ASP H H 109 7.753 7.693 0.060 1 1 1212 . 6 1 1 A 109 109 ASP HA H 109 4.564 4.511 0.053 1 1 1215 . 6 1 1 A 109 109 ASP CA C 109 54.540 56.273 -1.733 1 1 1216 . 6 1 1 A 109 109 ASP CB C 109 41.360 42.030 -0.670 1 1 1217 . 6 1 1 A 109 109 ASP N N 109 116.045 121.301 -5.256 1 1 1218 . 6 1 1 A 110 110 ASN H H 110 7.719 8.068 -0.349 1 1 1219 . 6 1 1 A 110 110 ASN HA H 110 4.723 4.974 -0.251 1 1 1224 . 6 1 1 A 110 110 ASN CA C 110 53.036 52.255 0.781 1 1 1225 . 6 1 1 A 110 110 ASN CB C 110 38.443 39.761 -1.318 1 1 1226 . 6 1 1 A 110 110 ASN N N 110 119.075 113.436 5.639 1 1 1228 . 6 1 1 A 111 111 PHE H H 111 7.977 8.246 -0.269 1 1 1229 . 6 1 1 A 111 111 PHE HA H 111 5.249 5.735 -0.486 1 1 1237 . 6 1 1 A 111 111 PHE CA C 111 56.627 54.612 2.015 1 1 1238 . 6 1 1 A 111 111 PHE CB C 111 40.215 42.553 -2.338 1 1 1242 . 6 1 1 A 111 111 PHE N N 111 122.138 119.291 2.847 1 1 1243 . 6 1 1 A 112 112 GLN H H 112 8.715 8.709 0.006 1 1 1244 . 6 1 1 A 112 112 GLN HA H 112 4.540 4.925 -0.385 1 1 1251 . 6 1 1 A 112 112 GLN CA C 112 54.035 53.983 0.052 1 1 1252 . 6 1 1 A 112 112 GLN CB C 112 31.861 31.317 0.544 1 1 1254 . 6 1 1 A 112 112 GLN N N 112 119.575 118.823 0.752 1 1 1256 . 6 1 1 A 113 113 GLU H H 113 8.546 8.866 -0.320 1 1 1257 . 6 1 1 A 113 113 GLU HA H 113 4.780 5.067 -0.287 1 1 1262 . 6 1 1 A 113 113 GLU CA C 113 55.412 56.428 -1.016 1 1 1263 . 6 1 1 A 113 113 GLU CB C 113 29.886 30.207 -0.321 1 1 1265 . 6 1 1 A 113 113 GLU N N 113 122.846 124.201 -1.355 1 1 1266 . 6 1 1 A 114 114 ILE H H 114 8.913 8.592 0.321 1 1 1267 . 6 1 1 A 114 114 ILE HA H 114 4.662 4.615 0.047 1 1 1277 . 6 1 1 A 114 114 ILE CA C 114 59.144 59.764 -0.620 1 1 1278 . 6 1 1 A 114 114 ILE CB C 114 41.873 40.338 1.535 1 1 1282 . 6 1 1 A 114 114 ILE N N 114 120.222 122.105 -1.883 1 1 1283 . 6 1 1 A 115 115 ASN H H 115 8.916 8.788 0.128 1 1 1284 . 6 1 1 A 115 115 ASN HA H 115 4.340 4.259 0.081 1 1 1289 . 6 1 1 A 115 115 ASN CA C 115 53.444 54.276 -0.832 1 1 1290 . 6 1 1 A 115 115 ASN CB C 115 36.467 37.095 -0.628 1 1 1291 . 6 1 1 A 115 115 ASN N N 115 120.916 118.784 2.132 1 1 1293 . 6 1 1 A 116 116 VAL H H 116 8.044 7.884 0.160 1 1 1294 . 6 1 1 A 116 116 VAL HA H 116 4.389 4.643 -0.254 1 1 1302 . 6 1 1 A 116 116 VAL CA C 116 63.183 61.362 1.821 1 1 1303 . 6 1 1 A 116 116 VAL CB C 116 32.216 32.951 -0.735 1 1 1306 . 6 1 1 A 116 116 VAL N N 116 117.046 118.960 -1.914 1 1 1307 . 6 1 1 A 117 117 GLN H H 117 8.582 8.608 -0.026 1 1 1308 . 6 1 1 A 117 117 GLN HA H 117 4.550 4.865 -0.315 1 1 1315 . 6 1 1 A 117 117 GLN CA C 117 53.827 53.384 0.443 1 1 1316 . 6 1 1 A 117 117 GLN CB C 117 33.119 32.161 0.958 1 1 1318 . 6 1 1 A 117 117 GLN N N 117 127.086 125.790 1.296 1 1 1320 . 6 1 1 A 118 118 ASN H H 118 8.330 8.713 -0.383 1 1 1321 . 6 1 1 A 118 118 ASN HA H 118 5.845 6.185 -0.340 1 1 1326 . 6 1 1 A 118 118 ASN CA C 118 51.736 51.252 0.484 1 1 1327 . 6 1 1 A 118 118 ASN CB C 118 42.644 41.999 0.645 1 1 1328 . 6 1 1 A 118 118 ASN N N 118 113.251 117.620 -4.369 1 1 1330 . 6 1 1 A 119 119 GLN H H 119 9.187 8.469 0.718 1 1 1331 . 6 1 1 A 119 119 GLN HA H 119 4.693 4.782 -0.089 1 1 1338 . 6 1 1 A 119 119 GLN CA C 119 55.160 55.431 -0.271 1 1 1339 . 6 1 1 A 119 119 GLN CB C 119 34.157 33.306 0.851 1 1 1341 . 6 1 1 A 119 119 GLN N N 119 116.799 118.754 -1.955 1 1 1343 . 6 1 1 A 120 120 LEU H H 120 8.544 8.767 -0.223 1 1 1344 . 6 1 1 A 120 120 LEU HA H 120 5.059 5.105 -0.046 1 1 1354 . 6 1 1 A 120 120 LEU CA C 120 54.327 53.585 0.742 1 1 1355 . 6 1 1 A 120 120 LEU CB C 120 42.839 43.214 -0.375 1 1 1359 . 6 1 1 A 120 120 LEU N N 120 123.292 127.188 -3.896 1 1 1360 . 6 1 1 A 121 121 ILE H H 121 8.657 9.342 -0.685 1 1 1361 . 6 1 1 A 121 121 ILE HA H 121 4.778 4.965 -0.187 1 1 1371 . 6 1 1 A 121 121 ILE CA C 121 58.770 58.854 -0.084 1 1 1372 . 6 1 1 A 121 121 ILE CB C 121 41.582 40.220 1.362 1 1 1376 . 6 1 1 A 121 121 ILE N N 121 116.046 122.051 -6.005 1 1 1377 . 6 1 1 A 122 122 ASN H H 122 8.329 8.871 -0.542 1 1 1378 . 6 1 1 A 122 122 ASN HA H 122 5.068 5.455 -0.387 1 1 1383 . 6 1 1 A 122 122 ASN CA C 122 52.654 51.517 1.137 1 1 1384 . 6 1 1 A 122 122 ASN CB C 122 42.112 41.821 0.291 1 1 1385 . 6 1 1 A 122 122 ASN N N 122 118.416 121.340 -2.924 1 1 1387 . 6 1 1 A 123 123 ALA H H 123 8.547 8.404 0.143 1 1 1388 . 6 1 1 A 123 123 ALA HA H 123 4.597 4.518 0.079 1 1 1392 . 6 1 1 A 123 123 ALA CA C 123 48.537 49.030 -0.493 1 1 1393 . 6 1 1 A 123 123 ALA CB C 123 19.998 21.598 -1.600 1 1 1394 . 6 1 1 A 123 123 ALA N N 123 124.108 124.398 -0.290 1 1 1395 . 6 1 1 A 124 124 PRO HA H 124 4.537 4.489 0.048 1 1 1402 . 6 1 1 A 124 124 PRO CA C 124 60.979 62.348 -1.369 1 1 1403 . 6 1 1 A 124 124 PRO CB C 124 32.285 32.318 -0.033 1 1 1406 . 6 1 1 A 125 125 ALA H H 125 8.587 8.266 0.321 1 1 1407 . 6 1 1 A 125 125 ALA HA H 125 3.899 4.581 -0.682 1 1 1411 . 6 1 1 A 125 125 ALA CA C 125 52.692 51.883 0.809 1 1 1412 . 6 1 1 A 125 125 ALA CB C 125 18.631 19.780 -1.149 1 1 1413 . 6 1 1 A 125 125 ALA N N 125 121.333 123.770 -2.437 1 1 1414 . 6 1 1 A 126 126 SER H H 126 8.227 9.017 -0.790 1 1 1415 . 6 1 1 A 126 126 SER HA H 126 4.616 4.405 0.211 1 1 1418 . 6 1 1 A 126 126 SER CA C 126 59.168 58.718 0.450 1 1 1419 . 6 1 1 A 126 126 SER CB C 126 64.636 62.565 2.071 1 1 1420 . 6 1 1 A 126 126 SER N N 126 118.947 118.245 0.702 1 1 1421 . 6 1 1 A 127 127 VAL H H 127 8.595 8.562 0.033 1 1 1422 . 6 1 1 A 127 127 VAL HA H 127 4.276 4.015 0.261 1 1 1430 . 6 1 1 A 127 127 VAL CA C 127 62.194 64.422 -2.228 1 1 1431 . 6 1 1 A 127 127 VAL CB C 127 32.852 32.453 0.399 1 1 1434 . 6 1 1 A 127 127 VAL N N 127 117.209 126.579 -9.370 1 1 1435 . 6 1 1 A 128 128 LEU H H 128 7.844 7.532 0.312 1 1 1436 . 6 1 1 A 128 128 LEU HA H 128 4.588 4.903 -0.315 1 1 1446 . 6 1 1 A 128 128 LEU CA C 128 53.639 53.045 0.594 1 1 1447 . 6 1 1 A 128 128 LEU CB C 128 44.574 45.540 -0.966 1 1 1451 . 6 1 1 A 128 128 LEU N N 128 121.103 121.445 -0.342 1 1 1452 . 6 1 1 A 129 129 ALA H H 129 8.377 8.731 -0.354 1 1 1453 . 6 1 1 A 129 129 ALA HA H 129 4.538 4.967 -0.429 1 1 1457 . 6 1 1 A 129 129 ALA CA C 129 53.476 49.711 3.765 1 1 1458 . 6 1 1 A 129 129 ALA CB C 129 20.982 20.988 -0.006 1 1 1459 . 6 1 1 A 129 129 ALA N N 129 123.679 123.581 0.098 1 1 1460 . 6 1 1 A 130 130 PRO HA H 130 4.669 4.803 -0.134 1 1 1467 . 6 1 1 A 130 130 PRO CA C 130 62.314 62.373 -0.059 1 1 1468 . 6 1 1 A 130 130 PRO CB C 130 33.473 32.651 0.822 1 1 1471 . 6 1 1 A 131 131 SER H H 131 9.365 8.467 0.898 1 1 1472 . 6 1 1 A 131 131 SER HA H 131 4.520 4.563 -0.043 1 1 1475 . 6 1 1 A 131 131 SER CA C 131 59.385 59.667 -0.282 1 1 1476 . 6 1 1 A 131 131 SER CB C 131 63.866 62.725 1.141 1 1 1477 . 6 1 1 A 131 131 SER N N 131 122.226 116.435 5.791 1 1 1478 . 6 1 1 A 132 132 ASP H H 132 8.608 8.179 0.429 1 1 1479 . 6 1 1 A 132 132 ASP HA H 132 5.260 5.483 -0.223 1 1 1482 . 6 1 1 A 132 132 ASP CA C 132 53.345 52.865 0.480 1 1 1483 . 6 1 1 A 132 132 ASP CB C 132 41.791 44.408 -2.617 1 1 1484 . 6 1 1 A 132 132 ASP N N 132 124.814 126.089 -1.275 1 1 1485 . 6 1 1 A 133 133 VAL H H 133 9.405 8.969 0.436 1 1 1486 . 6 1 1 A 133 133 VAL HA H 133 4.226 4.913 -0.687 1 1 1494 . 6 1 1 A 133 133 VAL CA C 133 61.669 59.886 1.783 1 1 1495 . 6 1 1 A 133 133 VAL CB C 133 34.448 35.928 -1.480 1 1 1498 . 6 1 1 A 133 133 VAL N N 133 127.192 123.881 3.311 1 1 1499 . 6 1 1 A 134 134 ASP H H 134 8.468 9.068 -0.600 1 1 1500 . 6 1 1 A 134 134 ASP HA H 134 5.368 5.640 -0.272 1 1 1503 . 6 1 1 A 134 134 ASP CA C 134 52.326 52.374 -0.048 1 1 1504 . 6 1 1 A 134 134 ASP CB C 134 41.245 44.879 -3.634 1 1 1505 . 6 1 1 A 134 134 ASP N N 134 127.161 122.070 5.091 1 1 1506 . 6 1 1 A 135 135 ILE H H 135 9.406 8.747 0.659 1 1 1507 . 6 1 1 A 135 135 ILE HA H 135 4.636 4.896 -0.260 1 1 1517 . 6 1 1 A 135 135 ILE CA C 135 57.478 57.083 0.395 1 1 1518 . 6 1 1 A 135 135 ILE CB C 135 39.411 40.668 -1.257 1 1 1522 . 6 1 1 A 135 135 ILE N N 135 125.603 117.400 8.203 1 1 1523 . 6 1 1 A 136 136 PRO HA H 136 4.844 4.887 -0.043 1 1 1530 . 6 1 1 A 136 136 PRO CA C 136 62.314 62.389 -0.075 1 1 1531 . 6 1 1 A 136 136 PRO CB C 136 31.563 32.480 -0.917 1 1 1534 . 6 1 1 A 137 137 LEU H H 137 9.196 8.397 0.799 1 1 1535 . 6 1 1 A 137 137 LEU HA H 137 4.739 4.670 0.069 1 1 1545 . 6 1 1 A 137 137 LEU CA C 137 53.609 53.772 -0.163 1 1 1546 . 6 1 1 A 137 137 LEU CB C 137 45.473 45.018 0.455 1 1 1550 . 6 1 1 A 137 137 LEU N N 137 124.087 121.915 2.172 1 1 1551 . 6 1 1 A 138 138 GLN H H 138 8.928 8.938 -0.010 1 1 1552 . 6 1 1 A 138 138 GLN HA H 138 4.581 4.558 0.023 1 1 1559 . 6 1 1 A 138 138 GLN CA C 138 54.780 54.772 0.008 1 1 1560 . 6 1 1 A 138 138 GLN CB C 138 29.048 29.409 -0.361 1 1 1562 . 6 1 1 A 138 138 GLN N N 138 122.528 127.123 -4.595 1 1 1564 . 6 1 1 A 139 139 LEU H H 139 9.039 8.555 0.484 1 1 1565 . 6 1 1 A 139 139 LEU HA H 139 4.205 4.084 0.121 1 1 1575 . 6 1 1 A 139 139 LEU CA C 139 52.367 54.517 -2.150 1 1 1576 . 6 1 1 A 139 139 LEU CB C 139 38.673 41.727 -3.054 1 1 1580 . 6 1 1 A 139 139 LEU N N 139 127.667 127.104 0.563 1 1 1581 . 6 1 1 A 140 140 LYS H H 140 8.078 8.257 -0.179 1 1 1582 . 6 1 1 A 140 140 LYS HA H 140 4.352 4.621 -0.269 1 1 1591 . 6 1 1 A 140 140 LYS CA C 140 56.826 55.227 1.599 1 1 1592 . 6 1 1 A 140 140 LYS CB C 140 32.657 34.387 -1.730 1 1 1596 . 6 1 1 A 140 140 LYS N N 140 124.108 122.712 1.396 1 1 1597 . 6 1 1 A 141 141 GLY H H 141 9.166 9.186 -0.020 1 1 1598 . 6 1 1 A 141 141 GLY HA2 H 141 3.788 3.918 -0.130 1 1 1599 . 6 1 1 A 141 141 GLY HA3 H 141 4.119 3.928 0.191 1 1 1600 . 6 1 1 A 141 141 GLY CA C 141 45.682 46.453 -0.771 1 1 1601 . 6 1 1 A 141 141 GLY N N 141 110.698 111.722 -1.024 1 1 1602 . 6 1 1 A 142 142 ILE H H 142 7.112 7.766 -0.654 1 1 1603 . 6 1 1 A 142 142 ILE HA H 142 4.600 4.642 -0.042 1 1 1613 . 6 1 1 A 142 142 ILE CA C 142 58.547 60.261 -1.714 1 1 1614 . 6 1 1 A 142 142 ILE CB C 142 40.437 41.681 -1.244 1 1 1618 . 6 1 1 A 142 142 ILE N N 142 117.928 119.836 -1.908 1 1 1619 . 6 1 1 A 143 143 SER H H 143 8.381 8.940 -0.559 1 1 1620 . 6 1 1 A 143 143 SER HA H 143 4.613 4.659 -0.046 1 1 1623 . 6 1 1 A 143 143 SER CA C 143 56.654 58.308 -1.654 1 1 1624 . 6 1 1 A 143 143 SER CB C 143 65.051 64.268 0.783 1 1 1625 . 6 1 1 A 143 143 SER N N 143 123.373 124.235 -0.862 1 1 1626 . 6 1 1 A 144 144 VAL H H 144 8.702 8.592 0.110 1 1 1627 . 6 1 1 A 144 144 VAL HA H 144 3.593 3.879 -0.286 1 1 1635 . 6 1 1 A 144 144 VAL CA C 144 65.655 65.049 0.606 1 1 1636 . 6 1 1 A 144 144 VAL CB C 144 31.434 31.806 -0.372 1 1 1639 . 6 1 1 A 144 144 VAL N N 144 120.791 126.210 -5.419 1 1 1640 . 6 1 1 A 145 145 ASP H H 145 8.151 8.071 0.080 1 1 1641 . 6 1 1 A 145 145 ASP HA H 145 4.435 4.393 0.042 1 1 1644 . 6 1 1 A 145 145 ASP CA C 145 55.211 57.002 -1.791 1 1 1645 . 6 1 1 A 145 145 ASP CB C 145 40.268 40.966 -0.698 1 1 1646 . 6 1 1 A 145 145 ASP N N 145 115.698 120.972 -5.274 1 1 1647 . 6 1 1 A 146 146 GLN H H 146 7.553 7.601 -0.048 1 1 1648 . 6 1 1 A 146 146 GLN HA H 146 4.302 4.399 -0.097 1 1 1655 . 6 1 1 A 146 146 GLN CA C 146 55.072 55.968 -0.896 1 1 1656 . 6 1 1 A 146 146 GLN CB C 146 29.990 29.141 0.849 1 1 1658 . 6 1 1 A 146 146 GLN N N 146 117.118 115.794 1.324 1 1 1660 . 6 1 1 A 147 147 LEU H H 147 7.368 7.418 -0.050 1 1 1661 . 6 1 1 A 147 147 LEU HA H 147 4.119 4.211 -0.092 1 1 1671 . 6 1 1 A 147 147 LEU CA C 147 54.904 55.079 -0.175 1 1 1672 . 6 1 1 A 147 147 LEU CB C 147 40.355 41.515 -1.160 1 1 1676 . 6 1 1 A 147 147 LEU N N 147 121.541 121.266 0.275 1 1 1677 . 6 1 1 A 148 148 GLY H H 148 8.791 8.783 0.008 1 1 1678 . 6 1 1 A 148 148 GLY HA2 H 148 4.512 4.065 0.447 1 1 1679 . 6 1 1 A 148 148 GLY HA3 H 148 3.997 4.149 -0.152 1 1 1680 . 6 1 1 A 148 148 GLY CA C 148 45.610 46.333 -0.723 1 1 1681 . 6 1 1 A 148 148 GLY N N 148 116.322 113.924 2.398 1 1 1682 . 6 1 1 A 149 149 PHE H H 149 7.790 7.590 0.200 1 1 1683 . 6 1 1 A 149 149 PHE HA H 149 5.215 5.197 0.018 1 1 1691 . 6 1 1 A 149 149 PHE CA C 149 56.942 56.222 0.720 1 1 1692 . 6 1 1 A 149 149 PHE CB C 149 42.019 42.159 -0.140 1 1 1696 . 6 1 1 A 149 149 PHE N N 149 113.675 113.495 0.180 1 1 1697 . 6 1 1 A 150 150 VAL H H 150 8.549 8.679 -0.130 1 1 1698 . 6 1 1 A 150 150 VAL HA H 150 4.776 4.801 -0.025 1 1 1706 . 6 1 1 A 150 150 VAL CA C 150 61.068 61.590 -0.522 1 1 1707 . 6 1 1 A 150 150 VAL CB C 150 34.594 33.838 0.756 1 1 1710 . 6 1 1 A 150 150 VAL N N 150 118.208 119.903 -1.695 1 1 1711 . 6 1 1 A 151 151 ARG H H 151 9.953 9.482 0.471 1 1 1712 . 6 1 1 A 151 151 ARG HA H 151 5.783 5.116 0.667 1 1 1719 . 6 1 1 A 151 151 ARG CA C 151 53.530 55.850 -2.320 1 1 1720 . 6 1 1 A 151 151 ARG CB C 151 33.540 31.152 2.388 1 1 1723 . 6 1 1 A 151 151 ARG N N 151 128.446 128.747 -0.301 1 1 1724 . 6 1 1 A 152 152 ILE H H 152 8.905 8.740 0.165 1 1 1725 . 6 1 1 A 152 152 ILE HA H 152 5.188 4.867 0.321 1 1 1735 . 6 1 1 A 152 152 ILE CA C 152 60.464 60.386 0.078 1 1 1736 . 6 1 1 A 152 152 ILE CB C 152 39.542 38.576 0.966 1 1 1740 . 6 1 1 A 152 152 ILE N N 152 127.149 128.575 -1.426 1 1 1741 . 6 1 1 A 153 153 HIS H H 153 8.941 8.523 0.418 1 1 1742 . 6 1 1 A 153 153 HIS HA H 153 5.074 4.897 0.177 1 1 1747 . 6 1 1 A 153 153 HIS CA C 153 53.417 54.582 -1.165 1 1 1748 . 6 1 1 A 153 153 HIS CB C 153 31.734 32.225 -0.491 1 1 1751 . 6 1 1 A 153 153 HIS N N 153 119.132 122.870 -3.738 1 1 1752 . 6 1 1 A 154 154 ASP H H 154 9.109 8.844 0.265 1 1 1753 . 6 1 1 A 154 154 ASP HA H 154 4.276 4.124 0.152 1 1 1756 . 6 1 1 A 154 154 ASP CA C 154 55.630 55.306 0.324 1 1 1757 . 6 1 1 A 154 154 ASP CB C 154 39.450 39.048 0.402 1 1 1758 . 6 1 1 A 154 154 ASP N N 154 116.420 116.460 -0.040 1 1 1759 . 6 1 1 A 155 155 ILE H H 155 8.062 8.017 0.045 1 1 1760 . 6 1 1 A 155 155 ILE HA H 155 5.051 4.196 0.855 1 1 1770 . 6 1 1 A 155 155 ILE CA C 155 59.666 61.481 -1.815 1 1 1771 . 6 1 1 A 155 155 ILE CB C 155 35.757 36.765 -1.008 1 1 1775 . 6 1 1 A 155 155 ILE N N 155 119.131 119.672 -0.541 1 1 1776 . 6 1 1 A 156 156 GLN H H 156 9.011 8.452 0.559 1 1 1777 . 6 1 1 A 156 156 GLN HA H 156 4.993 5.012 -0.019 1 1 1784 . 6 1 1 A 156 156 GLN CA C 156 51.975 53.164 -1.189 1 1 1785 . 6 1 1 A 156 156 GLN CB C 156 31.210 31.104 0.106 1 1 1787 . 6 1 1 A 156 156 GLN N N 156 127.177 126.415 0.762 1 1 1789 . 6 1 1 A 157 157 PRO HA H 157 4.964 4.903 0.061 1 1 1796 . 6 1 1 A 157 157 PRO CA C 157 61.770 62.569 -0.799 1 1 1797 . 6 1 1 A 157 157 PRO CB C 157 31.637 32.590 -0.953 1 1 1800 . 6 1 1 A 158 158 VAL H H 158 7.921 8.513 -0.592 1 1 1801 . 6 1 1 A 158 158 VAL HA H 158 4.107 4.993 -0.886 1 1 1809 . 6 1 1 A 158 158 VAL CA C 158 62.234 59.689 2.545 1 1 1810 . 6 1 1 A 158 158 VAL CB C 158 32.610 35.068 -2.458 1 1 1813 . 6 1 1 A 158 158 VAL N N 158 121.642 122.238 -0.596 1 1 1814 . 6 1 1 A 159 159 MET H H 159 8.544 8.961 -0.417 1 1 1815 . 6 1 1 A 159 159 MET HA H 159 4.548 5.073 -0.525 1 1 1820 . 6 1 1 A 159 159 MET CA C 159 54.731 53.934 0.797 1 1 1821 . 6 1 1 A 159 159 MET CB C 159 32.547 34.919 -2.372 1 1 1823 . 6 1 1 A 159 159 MET N N 159 124.452 125.133 -0.681 1 1 1824 . 6 1 1 A 160 160 GLN H H 160 8.434 8.410 0.024 1 1 1825 . 6 1 1 A 160 160 GLN HA H 160 4.354 4.249 0.105 1 1 1832 . 6 1 1 A 160 160 GLN CA C 160 55.399 55.775 -0.376 1 1 1833 . 6 1 1 A 160 160 GLN CB C 160 29.112 29.035 0.077 1 1 1835 . 6 1 1 A 160 160 GLN N N 160 121.917 119.273 2.644 1 1 1837 . 6 1 1 A 161 161 LEU H H 161 8.325 8.347 -0.022 1 1 1838 . 6 1 1 A 161 161 LEU HA H 161 4.314 4.442 -0.128 1 1 1848 . 6 1 1 A 161 161 LEU CA C 161 55.040 54.579 0.461 1 1 1849 . 6 1 1 A 161 161 LEU CB C 161 42.225 41.273 0.952 1 1 1853 . 6 1 1 A 161 161 LEU N N 161 123.826 122.877 0.949 1 1 1854 . 6 1 1 A 162 162 GLU H H 162 8.358 8.941 -0.583 1 1 1855 . 6 1 1 A 162 162 GLU HA H 162 4.216 4.760 -0.544 1 1 1860 . 6 1 1 A 162 162 GLU CA C 162 56.343 54.370 1.973 1 1 1861 . 6 1 1 A 162 162 GLU CB C 162 30.083 32.843 -2.760 1 1 1863 . 6 1 1 A 162 162 GLU N N 162 121.293 123.909 -2.616 1 1 1864 . 6 1 1 A 163 163 HIS H H 163 8.376 8.952 -0.576 1 1 1865 . 6 1 1 A 163 163 HIS HA H 163 4.641 4.887 -0.246 1 1 1868 . 6 1 1 A 163 163 HIS CA C 163 55.437 55.423 0.014 1 1 1869 . 6 1 1 A 163 163 HIS CB C 163 29.412 32.263 -2.851 1 1 1870 . 6 1 1 A 163 163 HIS N N 163 121.307 123.234 -1.927 1 1 1871 . 6 1 1 A 164 164 HIS H H 164 8.289 8.485 -0.196 1 1 1872 . 6 1 1 A 164 164 HIS N N 164 125.228 124.156 1.072 1 1 1873 . 6 1 1 A 166 166 HIS HA H 166 4.300 4.491 -0.191 1 1 1876 . 6 1 1 A 166 166 HIS CA C 166 55.708 56.980 -1.272 1 1 1877 . 6 1 1 A 166 166 HIS CB C 166 29.207 29.992 -0.785 1 1 1878 . 6 1 1 A 167 167 HIS H H 167 8.591 8.074 0.517 1 1 1879 . 6 1 1 A 167 167 HIS HA H 167 4.541 3.888 0.653 1 1 1882 . 6 1 1 A 167 167 HIS CA C 167 54.678 56.032 -1.354 1 1 1883 . 6 1 1 A 167 167 HIS CB C 167 26.256 27.708 -1.452 1 1 1884 . 6 1 1 A 167 167 HIS N N 167 121.317 122.008 -0.691 1 1 1 . 7 1 1 A 2 2 VAL HA H 2 3.850 4.470 -0.620 1 1 9 . 7 1 1 A 2 2 VAL CA C 2 61.400 60.485 0.915 1 1 10 . 7 1 1 A 2 2 VAL CB C 2 32.400 33.743 -1.343 1 1 13 . 7 1 1 A 3 3 GLN HA H 3 4.445 4.343 0.102 1 1 18 . 7 1 1 A 3 3 GLN CA C 3 55.467 55.155 0.312 1 1 19 . 7 1 1 A 3 3 GLN CB C 3 29.271 27.509 1.762 1 1 21 . 7 1 1 A 4 4 GLN H H 4 8.703 8.222 0.481 1 1 22 . 7 1 1 A 4 4 GLN HA H 4 4.356 4.527 -0.171 1 1 27 . 7 1 1 A 4 4 GLN CA C 4 55.961 55.648 0.313 1 1 28 . 7 1 1 A 4 4 GLN CB C 4 29.178 29.032 0.146 1 1 30 . 7 1 1 A 4 4 GLN N N 4 123.281 122.806 0.475 1 1 31 . 7 1 1 A 5 5 SER H H 5 8.426 8.828 -0.402 1 1 32 . 7 1 1 A 5 5 SER HA H 5 4.424 4.933 -0.509 1 1 35 . 7 1 1 A 5 5 SER CA C 5 58.498 57.174 1.324 1 1 36 . 7 1 1 A 5 5 SER CB C 5 63.534 66.329 -2.795 1 1 37 . 7 1 1 A 5 5 SER N N 5 116.845 116.013 0.832 1 1 38 . 7 1 1 A 6 6 GLU H H 6 8.434 8.790 -0.356 1 1 39 . 7 1 1 A 6 6 GLU HA H 6 4.342 5.057 -0.715 1 1 44 . 7 1 1 A 6 6 GLU CA C 6 56.410 55.300 1.110 1 1 45 . 7 1 1 A 6 6 GLU CB C 6 29.873 31.978 -2.105 1 1 47 . 7 1 1 A 6 6 GLU N N 6 122.965 124.737 -1.772 1 1 48 . 7 1 1 A 7 7 VAL H H 7 8.131 8.956 -0.825 1 1 49 . 7 1 1 A 7 7 VAL HA H 7 4.063 4.786 -0.723 1 1 57 . 7 1 1 A 7 7 VAL CA C 7 62.213 59.175 3.038 1 1 58 . 7 1 1 A 7 7 VAL CB C 7 32.391 35.300 -2.909 1 1 61 . 7 1 1 A 7 7 VAL N N 7 121.508 120.216 1.292 1 1 62 . 7 1 1 A 8 8 ARG H H 8 8.376 8.603 -0.227 1 1 63 . 7 1 1 A 8 8 ARG HA H 8 4.335 4.642 -0.307 1 1 70 . 7 1 1 A 8 8 ARG CA C 8 56.013 55.573 0.440 1 1 71 . 7 1 1 A 8 8 ARG CB C 8 30.528 30.812 -0.284 1 1 74 . 7 1 1 A 8 8 ARG N N 8 124.504 123.116 1.388 1 1 75 . 7 1 1 A 9 9 GLN H H 9 8.360 8.624 -0.264 1 1 76 . 7 1 1 A 9 9 GLN HA H 9 4.353 5.148 -0.795 1 1 81 . 7 1 1 A 9 9 GLN CA C 9 55.446 54.567 0.879 1 1 82 . 7 1 1 A 9 9 GLN CB C 9 29.236 31.231 -1.995 1 1 84 . 7 1 1 A 9 9 GLN N N 9 121.537 123.484 -1.947 1 1 85 . 7 1 1 A 10 10 MET H H 10 8.391 9.050 -0.659 1 1 86 . 7 1 1 A 10 10 MET HA H 10 4.459 5.166 -0.707 1 1 91 . 7 1 1 A 10 10 MET CA C 10 55.062 53.817 1.245 1 1 92 . 7 1 1 A 10 10 MET CB C 10 32.482 34.287 -1.805 1 1 94 . 7 1 1 A 10 10 MET N N 10 122.199 123.284 -1.085 1 1 95 . 7 1 1 A 11 11 LYS H H 11 8.317 8.896 -0.579 1 1 96 . 7 1 1 A 11 11 LYS HA H 11 4.296 5.064 -0.768 1 1 105 . 7 1 1 A 11 11 LYS CA C 11 56.114 55.456 0.658 1 1 106 . 7 1 1 A 11 11 LYS CB C 11 32.372 34.723 -2.351 1 1 110 . 7 1 1 A 11 11 LYS N N 11 122.440 126.769 -4.329 1 1 111 . 7 1 1 A 12 12 HIS H H 12 8.489 8.678 -0.189 1 1 112 . 7 1 1 A 12 12 HIS HA H 12 4.748 5.268 -0.520 1 1 116 . 7 1 1 A 12 12 HIS CA C 12 55.052 54.803 0.249 1 1 117 . 7 1 1 A 12 12 HIS CB C 12 29.094 31.828 -2.734 1 1 119 . 7 1 1 A 12 12 HIS N N 12 119.934 117.747 2.187 1 1 120 . 7 1 1 A 13 13 SER H H 13 8.401 8.842 -0.441 1 1 121 . 7 1 1 A 13 13 SER HA H 13 4.518 4.699 -0.181 1 1 124 . 7 1 1 A 13 13 SER CA C 13 57.855 56.223 1.632 1 1 125 . 7 1 1 A 13 13 SER CB C 13 63.750 65.310 -1.560 1 1 126 . 7 1 1 A 13 13 SER N N 13 117.596 115.626 1.970 1 1 127 . 7 1 1 A 14 14 VAL H H 14 8.285 8.178 0.107 1 1 128 . 7 1 1 A 14 14 VAL HA H 14 4.239 4.228 0.011 1 1 136 . 7 1 1 A 14 14 VAL CA C 14 62.078 61.770 0.308 1 1 137 . 7 1 1 A 14 14 VAL CB C 14 32.564 30.431 2.133 1 1 140 . 7 1 1 A 14 14 VAL N N 14 121.378 124.471 -3.093 1 1 141 . 7 1 1 A 15 15 SER H H 15 8.419 8.346 0.073 1 1 142 . 7 1 1 A 15 15 SER HA H 15 4.556 5.074 -0.518 1 1 145 . 7 1 1 A 15 15 SER CA C 15 57.855 57.048 0.807 1 1 146 . 7 1 1 A 15 15 SER CB C 15 63.600 64.185 -0.585 1 1 147 . 7 1 1 A 15 15 SER N N 15 119.022 120.884 -1.862 1 1 148 . 7 1 1 A 16 16 THR H H 16 8.189 8.493 -0.304 1 1 149 . 7 1 1 A 16 16 THR HA H 16 4.362 4.719 -0.357 1 1 154 . 7 1 1 A 16 16 THR CA C 16 61.510 61.088 0.422 1 1 155 . 7 1 1 A 16 16 THR CB C 16 69.292 69.167 0.125 1 1 157 . 7 1 1 A 16 16 THR N N 16 116.040 118.124 -2.084 1 1 158 . 7 1 1 A 17 17 LEU H H 17 8.168 8.508 -0.340 1 1 159 . 7 1 1 A 17 17 LEU HA H 17 4.331 4.928 -0.597 1 1 169 . 7 1 1 A 17 17 LEU CA C 17 55.446 53.206 2.240 1 1 170 . 7 1 1 A 17 17 LEU CB C 17 42.032 43.871 -1.839 1 1 174 . 7 1 1 A 17 17 LEU N N 17 123.796 124.910 -1.114 1 1 175 . 7 1 1 A 18 18 ASN H H 18 8.406 8.709 -0.303 1 1 176 . 7 1 1 A 18 18 ASN HA H 18 4.685 5.030 -0.345 1 1 181 . 7 1 1 A 18 18 ASN CA C 18 53.276 51.839 1.437 1 1 182 . 7 1 1 A 18 18 ASN CB C 18 38.462 40.730 -2.268 1 1 183 . 7 1 1 A 18 18 ASN N N 18 119.197 117.504 1.693 1 1 185 . 7 1 1 A 19 19 GLN H H 19 8.346 8.368 -0.022 1 1 186 . 7 1 1 A 19 19 GLN HA H 19 4.319 4.254 0.065 1 1 193 . 7 1 1 A 19 19 GLN CA C 19 56.075 56.871 -0.796 1 1 194 . 7 1 1 A 19 19 GLN CB C 19 29.077 28.982 0.095 1 1 196 . 7 1 1 A 19 19 GLN N N 19 120.620 119.327 1.293 1 1 198 . 7 1 1 A 20 20 GLU H H 20 8.474 8.717 -0.243 1 1 199 . 7 1 1 A 20 20 GLU HA H 20 4.269 5.025 -0.756 1 1 204 . 7 1 1 A 20 20 GLU CA C 20 56.932 54.553 2.379 1 1 205 . 7 1 1 A 20 20 GLU CB C 20 29.694 33.380 -3.686 1 1 207 . 7 1 1 A 20 20 GLU N N 20 121.410 122.780 -1.370 1 1 208 . 7 1 1 A 21 21 MET H H 21 8.366 8.802 -0.436 1 1 209 . 7 1 1 A 21 21 MET HA H 21 4.538 4.510 0.028 1 1 214 . 7 1 1 A 21 21 MET CA C 21 55.812 55.419 0.393 1 1 215 . 7 1 1 A 21 21 MET CB C 21 32.188 32.460 -0.272 1 1 217 . 7 1 1 A 21 21 MET N N 21 120.618 124.676 -4.058 1 1 218 . 7 1 1 A 22 22 THR H H 22 8.127 8.643 -0.516 1 1 219 . 7 1 1 A 22 22 THR HA H 22 4.299 4.824 -0.525 1 1 224 . 7 1 1 A 22 22 THR CA C 22 62.287 60.373 1.914 1 1 225 . 7 1 1 A 22 22 THR CB C 22 69.174 70.749 -1.575 1 1 227 . 7 1 1 A 22 22 THR N N 22 114.858 115.941 -1.083 1 1 228 . 7 1 1 A 23 23 GLN H H 23 8.342 8.629 -0.287 1 1 229 . 7 1 1 A 23 23 GLN HA H 23 4.339 4.078 0.261 1 1 236 . 7 1 1 A 23 23 GLN CA C 23 56.148 56.509 -0.361 1 1 237 . 7 1 1 A 23 23 GLN CB C 23 29.112 27.811 1.301 1 1 239 . 7 1 1 A 23 23 GLN N N 23 122.047 118.467 3.580 1 1 241 . 7 1 1 A 24 24 LEU H H 24 8.174 7.873 0.301 1 1 242 . 7 1 1 A 24 24 LEU HA H 24 4.334 4.763 -0.429 1 1 252 . 7 1 1 A 24 24 LEU CA C 24 55.519 54.007 1.512 1 1 253 . 7 1 1 A 24 24 LEU CB C 24 42.146 45.779 -3.633 1 1 257 . 7 1 1 A 24 24 LEU N N 24 122.328 125.255 -2.927 1 1 258 . 7 1 1 A 25 25 ASN H H 25 8.384 8.707 -0.323 1 1 259 . 7 1 1 A 25 25 ASN HA H 25 4.692 4.721 -0.029 1 1 264 . 7 1 1 A 25 25 ASN CA C 25 53.481 53.769 -0.288 1 1 265 . 7 1 1 A 25 25 ASN CB C 25 38.445 38.753 -0.308 1 1 266 . 7 1 1 A 25 25 ASN N N 25 119.262 123.592 -4.330 1 1 268 . 7 1 1 A 26 26 GLN H H 26 8.453 9.054 -0.601 1 1 269 . 7 1 1 A 26 26 GLN HA H 26 4.215 3.888 0.327 1 1 276 . 7 1 1 A 26 26 GLN CA C 26 57.037 59.051 -2.014 1 1 277 . 7 1 1 A 26 26 GLN CB C 26 28.996 28.342 0.654 1 1 279 . 7 1 1 A 26 26 GLN N N 26 120.394 124.456 -4.062 1 1 281 . 7 1 1 A 27 27 GLU H H 27 8.501 8.260 0.241 1 1 282 . 7 1 1 A 27 27 GLU HA H 27 4.202 4.074 0.128 1 1 287 . 7 1 1 A 27 27 GLU CA C 27 58.573 59.297 -0.724 1 1 288 . 7 1 1 A 27 27 GLU CB C 27 29.349 29.722 -0.373 1 1 290 . 7 1 1 A 27 27 GLU N N 27 121.130 119.595 1.535 1 1 291 . 7 1 1 A 28 28 THR H H 28 8.032 8.150 -0.118 1 1 292 . 7 1 1 A 28 28 THR HA H 28 4.079 3.954 0.125 1 1 297 . 7 1 1 A 28 28 THR CA C 28 64.762 66.504 -1.742 1 1 298 . 7 1 1 A 28 28 THR CB C 28 68.354 68.204 0.150 1 1 300 . 7 1 1 A 28 28 THR N N 28 114.032 115.971 -1.939 1 1 301 . 7 1 1 A 29 29 VAL H H 29 7.969 8.239 -0.270 1 1 302 . 7 1 1 A 29 29 VAL HA H 29 3.812 3.522 0.290 1 1 310 . 7 1 1 A 29 29 VAL CA C 29 65.572 67.197 -1.625 1 1 311 . 7 1 1 A 29 29 VAL CB C 29 31.624 31.414 0.210 1 1 314 . 7 1 1 A 29 29 VAL N N 29 122.215 121.951 0.264 1 1 315 . 7 1 1 A 30 30 LYS H H 30 7.910 8.248 -0.338 1 1 316 . 7 1 1 A 30 30 LYS HA H 30 4.175 4.037 0.138 1 1 325 . 7 1 1 A 30 30 LYS CA C 30 57.780 59.078 -1.298 1 1 326 . 7 1 1 A 30 30 LYS CB C 30 31.537 32.106 -0.569 1 1 330 . 7 1 1 A 30 30 LYS N N 30 119.387 120.123 -0.736 1 1 331 . 7 1 1 A 31 31 ILE H H 31 8.277 8.195 0.082 1 1 332 . 7 1 1 A 31 31 ILE HA H 31 3.602 3.592 0.010 1 1 342 . 7 1 1 A 31 31 ILE CA C 31 65.712 65.549 0.163 1 1 343 . 7 1 1 A 31 31 ILE CB C 31 38.559 37.648 0.911 1 1 347 . 7 1 1 A 31 31 ILE N N 31 121.053 120.269 0.784 1 1 348 . 7 1 1 A 32 32 THR H H 32 7.896 8.175 -0.279 1 1 349 . 7 1 1 A 32 32 THR HA H 32 4.004 3.813 0.191 1 1 354 . 7 1 1 A 32 32 THR CA C 32 65.922 66.925 -1.003 1 1 355 . 7 1 1 A 32 32 THR CB C 32 68.400 68.357 0.043 1 1 357 . 7 1 1 A 32 32 THR N N 32 115.554 116.992 -1.438 1 1 358 . 7 1 1 A 33 33 GLN H H 33 8.279 8.192 0.087 1 1 359 . 7 1 1 A 33 33 GLN HA H 33 3.887 3.903 -0.016 1 1 366 . 7 1 1 A 33 33 GLN CA C 33 59.052 59.127 -0.075 1 1 367 . 7 1 1 A 33 33 GLN CB C 33 27.889 28.295 -0.406 1 1 369 . 7 1 1 A 33 33 GLN N N 33 120.920 121.959 -1.039 1 1 371 . 7 1 1 A 34 34 GLN H H 34 8.671 8.105 0.566 1 1 372 . 7 1 1 A 34 34 GLN HA H 34 3.615 4.001 -0.386 1 1 379 . 7 1 1 A 34 34 GLN CA C 34 60.424 58.926 1.498 1 1 380 . 7 1 1 A 34 34 GLN CB C 34 30.058 28.579 1.479 1 1 382 . 7 1 1 A 34 34 GLN N N 34 120.388 118.939 1.449 1 1 384 . 7 1 1 A 35 35 ASN H H 35 8.636 8.450 0.186 1 1 385 . 7 1 1 A 35 35 ASN HA H 35 4.595 4.569 0.026 1 1 390 . 7 1 1 A 35 35 ASN CA C 35 55.363 55.720 -0.357 1 1 391 . 7 1 1 A 35 35 ASN CB C 35 36.904 37.763 -0.859 1 1 392 . 7 1 1 A 35 35 ASN N N 35 116.477 118.070 -1.593 1 1 394 . 7 1 1 A 36 36 ARG H H 36 8.321 7.821 0.500 1 1 395 . 7 1 1 A 36 36 ARG HA H 36 4.142 4.076 0.066 1 1 402 . 7 1 1 A 36 36 ARG CA C 36 58.582 59.103 -0.521 1 1 403 . 7 1 1 A 36 36 ARG CB C 36 29.712 30.026 -0.314 1 1 406 . 7 1 1 A 36 36 ARG N N 36 121.347 121.028 0.319 1 1 407 . 7 1 1 A 37 37 LEU H H 37 8.251 8.288 -0.037 1 1 408 . 7 1 1 A 37 37 LEU HA H 37 3.788 3.776 0.012 1 1 418 . 7 1 1 A 37 37 LEU CA C 37 57.094 57.956 -0.862 1 1 419 . 7 1 1 A 37 37 LEU CB C 37 40.554 40.632 -0.078 1 1 423 . 7 1 1 A 37 37 LEU N N 37 120.862 119.780 1.082 1 1 424 . 7 1 1 A 38 38 ASN H H 38 8.047 8.424 -0.377 1 1 425 . 7 1 1 A 38 38 ASN HA H 38 5.134 4.526 0.608 1 1 430 . 7 1 1 A 38 38 ASN CA C 38 54.413 57.178 -2.765 1 1 431 . 7 1 1 A 38 38 ASN CB C 38 38.069 39.918 -1.849 1 1 432 . 7 1 1 A 38 38 ASN N N 38 115.574 118.321 -2.747 1 1 434 . 7 1 1 A 39 39 ALA H H 39 7.878 7.915 -0.037 1 1 435 . 7 1 1 A 39 39 ALA HA H 39 4.342 4.116 0.226 1 1 439 . 7 1 1 A 39 39 ALA CA C 39 53.981 55.045 -1.064 1 1 440 . 7 1 1 A 39 39 ALA CB C 39 18.340 18.124 0.216 1 1 441 . 7 1 1 A 39 39 ALA N N 39 123.076 121.815 1.261 1 1 442 . 7 1 1 A 40 40 LYS H H 40 7.431 7.626 -0.195 1 1 443 . 7 1 1 A 40 40 LYS HA H 40 4.528 4.350 0.178 1 1 452 . 7 1 1 A 40 40 LYS CA C 40 55.285 57.549 -2.264 1 1 453 . 7 1 1 A 40 40 LYS CB C 40 32.852 32.655 0.197 1 1 457 . 7 1 1 A 40 40 LYS N N 40 114.889 115.999 -1.110 1 1 458 . 7 1 1 A 41 41 SER H H 41 7.671 7.400 0.271 1 1 459 . 7 1 1 A 41 41 SER HA H 41 4.615 4.572 0.043 1 1 462 . 7 1 1 A 41 41 SER CA C 41 58.189 58.531 -0.342 1 1 463 . 7 1 1 A 41 41 SER CB C 41 63.924 63.938 -0.014 1 1 464 . 7 1 1 A 41 41 SER N N 41 114.795 117.218 -2.423 1 1 465 . 7 1 1 A 42 42 SER H H 42 8.927 9.175 -0.248 1 1 466 . 7 1 1 A 42 42 SER HA H 42 4.792 4.521 0.271 1 1 469 . 7 1 1 A 42 42 SER CA C 42 58.133 59.089 -0.956 1 1 470 . 7 1 1 A 42 42 SER CB C 42 63.712 64.046 -0.334 1 1 471 . 7 1 1 A 42 42 SER N N 42 120.934 123.473 -2.539 1 1 472 . 7 1 1 A 43 43 SER H H 43 8.320 7.405 0.915 1 1 473 . 7 1 1 A 43 43 SER HA H 43 4.654 4.594 0.060 1 1 476 . 7 1 1 A 43 43 SER CA C 43 57.309 56.761 0.548 1 1 477 . 7 1 1 A 43 43 SER CB C 43 63.151 64.043 -0.892 1 1 478 . 7 1 1 A 43 43 SER N N 43 115.966 114.907 1.059 1 1 479 . 7 1 1 A 44 44 GLY H H 44 8.182 8.878 -0.696 1 1 480 . 7 1 1 A 44 44 GLY HA2 H 44 4.206 3.865 0.341 1 1 481 . 7 1 1 A 44 44 GLY HA3 H 44 4.399 3.889 0.510 1 1 482 . 7 1 1 A 44 44 GLY CA C 44 44.540 45.277 -0.737 1 1 483 . 7 1 1 A 44 44 GLY N N 44 110.764 117.222 -6.458 1 1 484 . 7 1 1 A 45 45 VAL H H 45 8.341 7.916 0.425 1 1 485 . 7 1 1 A 45 45 VAL HA H 45 4.845 4.869 -0.024 1 1 493 . 7 1 1 A 45 45 VAL CA C 45 58.981 59.383 -0.402 1 1 494 . 7 1 1 A 45 45 VAL CB C 45 35.239 34.525 0.714 1 1 497 . 7 1 1 A 45 45 VAL N N 45 114.116 117.819 -3.703 1 1 498 . 7 1 1 A 46 46 TYR H H 46 10.501 8.783 1.718 1 1 499 . 7 1 1 A 46 46 TYR HA H 46 5.004 5.305 -0.301 1 1 506 . 7 1 1 A 46 46 TYR CA C 46 58.121 56.929 1.192 1 1 507 . 7 1 1 A 46 46 TYR CB C 46 41.382 39.984 1.398 1 1 510 . 7 1 1 A 46 46 TYR N N 46 123.384 122.364 1.020 1 1 511 . 7 1 1 A 47 47 LEU H H 47 9.364 9.546 -0.182 1 1 512 . 7 1 1 A 47 47 LEU HA H 47 4.695 4.949 -0.254 1 1 522 . 7 1 1 A 47 47 LEU CA C 47 52.769 53.668 -0.899 1 1 523 . 7 1 1 A 47 47 LEU CB C 47 44.689 42.168 2.521 1 1 527 . 7 1 1 A 47 47 LEU N N 47 118.822 125.554 -6.732 1 1 528 . 7 1 1 A 48 48 LEU H H 48 9.128 8.850 0.278 1 1 529 . 7 1 1 A 48 48 LEU HA H 48 5.232 4.644 0.588 1 1 539 . 7 1 1 A 48 48 LEU CA C 48 51.100 52.141 -1.041 1 1 540 . 7 1 1 A 48 48 LEU CB C 48 40.141 41.519 -1.378 1 1 544 . 7 1 1 A 48 48 LEU N N 48 123.384 126.434 -3.050 1 1 545 . 7 1 1 A 49 49 PRO HA H 49 4.090 4.299 -0.209 1 1 552 . 7 1 1 A 49 49 PRO CA C 49 64.912 64.817 0.095 1 1 553 . 7 1 1 A 49 49 PRO CB C 49 31.607 31.745 -0.138 1 1 556 . 7 1 1 A 50 50 GLY H H 50 9.181 8.530 0.651 1 1 557 . 7 1 1 A 50 50 GLY HA2 H 50 3.933 3.947 -0.014 1 1 558 . 7 1 1 A 50 50 GLY HA3 H 50 4.757 3.949 0.808 1 1 559 . 7 1 1 A 50 50 GLY CA C 50 45.499 46.435 -0.936 1 1 560 . 7 1 1 A 50 50 GLY N N 50 106.827 106.940 -0.113 1 1 561 . 7 1 1 A 51 51 ALA H H 51 7.857 8.017 -0.160 1 1 562 . 7 1 1 A 51 51 ALA HA H 51 4.264 4.518 -0.254 1 1 566 . 7 1 1 A 51 51 ALA CA C 51 53.156 50.759 2.397 1 1 567 . 7 1 1 A 51 51 ALA CB C 51 18.492 20.341 -1.849 1 1 568 . 7 1 1 A 51 51 ALA N N 51 120.192 121.667 -1.475 1 1 569 . 7 1 1 A 52 52 LYS H H 52 7.787 8.873 -1.086 1 1 570 . 7 1 1 A 52 52 LYS HA H 52 4.094 4.489 -0.395 1 1 579 . 7 1 1 A 52 52 LYS CA C 52 56.979 56.673 0.306 1 1 580 . 7 1 1 A 52 52 LYS CB C 52 30.731 31.849 -1.118 1 1 584 . 7 1 1 A 52 52 LYS N N 52 115.260 126.764 -11.504 1 1 585 . 7 1 1 A 53 53 THR H H 53 8.043 8.301 -0.258 1 1 586 . 7 1 1 A 53 53 THR HA H 53 4.924 5.100 -0.176 1 1 591 . 7 1 1 A 53 53 THR CA C 53 59.565 58.466 1.099 1 1 592 . 7 1 1 A 53 53 THR CB C 53 72.729 70.685 2.044 1 1 594 . 7 1 1 A 53 53 THR N N 53 114.085 116.557 -2.472 1 1 595 . 7 1 1 A 54 54 PRO HA H 54 4.860 5.079 -0.219 1 1 602 . 7 1 1 A 54 54 PRO CA C 54 62.176 62.203 -0.027 1 1 603 . 7 1 1 A 54 54 PRO CB C 54 32.820 32.204 0.616 1 1 606 . 7 1 1 A 55 55 ALA H H 55 8.834 8.751 0.083 1 1 607 . 7 1 1 A 55 55 ALA HA H 55 4.824 4.987 -0.163 1 1 611 . 7 1 1 A 55 55 ALA CA C 55 50.500 50.432 0.068 1 1 612 . 7 1 1 A 55 55 ALA CB C 55 22.858 21.988 0.870 1 1 613 . 7 1 1 A 55 55 ALA N N 55 122.227 125.281 -3.054 1 1 614 . 7 1 1 A 56 56 ARG H H 56 8.445 8.669 -0.224 1 1 615 . 7 1 1 A 56 56 ARG HA H 56 5.262 4.745 0.517 1 1 623 . 7 1 1 A 56 56 ARG CA C 56 54.401 55.871 -1.470 1 1 624 . 7 1 1 A 56 56 ARG CB C 56 32.849 30.947 1.902 1 1 627 . 7 1 1 A 56 56 ARG N N 56 121.194 123.518 -2.324 1 1 629 . 7 1 1 A 57 57 LEU H H 57 9.159 9.137 0.022 1 1 630 . 7 1 1 A 57 57 LEU HA H 57 4.672 4.955 -0.283 1 1 640 . 7 1 1 A 57 57 LEU CA C 57 53.028 53.755 -0.727 1 1 641 . 7 1 1 A 57 57 LEU CB C 57 46.231 44.541 1.690 1 1 645 . 7 1 1 A 57 57 LEU N N 57 125.694 128.922 -3.228 1 1 646 . 7 1 1 A 58 58 GLU H H 58 8.890 8.836 0.054 1 1 647 . 7 1 1 A 58 58 GLU HA H 58 4.535 4.618 -0.083 1 1 652 . 7 1 1 A 58 58 GLU CA C 58 55.733 56.503 -0.770 1 1 653 . 7 1 1 A 58 58 GLU CB C 58 27.970 30.627 -2.657 1 1 655 . 7 1 1 A 58 58 GLU N N 58 127.677 128.695 -1.018 1 1 656 . 7 1 1 A 59 59 SER H H 59 7.772 8.652 -0.880 1 1 657 . 7 1 1 A 59 59 SER HA H 59 4.970 5.059 -0.089 1 1 661 . 7 1 1 A 59 59 SER CA C 59 57.576 56.167 1.409 1 1 662 . 7 1 1 A 59 59 SER CB C 59 69.174 66.312 2.862 1 1 663 . 7 1 1 A 59 59 SER N N 59 121.860 119.564 2.296 1 1 664 . 7 1 1 A 60 60 GLN H H 60 9.336 8.047 1.289 1 1 665 . 7 1 1 A 60 60 GLN HA H 60 4.262 4.343 -0.081 1 1 672 . 7 1 1 A 60 60 GLN CA C 60 57.792 56.884 0.908 1 1 673 . 7 1 1 A 60 60 GLN CB C 60 29.669 28.527 1.142 1 1 675 . 7 1 1 A 60 60 GLN N N 60 119.522 117.095 2.427 1 1 677 . 7 1 1 A 61 61 ILE H H 61 8.007 7.544 0.463 1 1 678 . 7 1 1 A 61 61 ILE HA H 61 4.623 4.426 0.197 1 1 688 . 7 1 1 A 61 61 ILE CA C 61 59.813 61.055 -1.242 1 1 689 . 7 1 1 A 61 61 ILE CB C 61 37.013 39.622 -2.609 1 1 693 . 7 1 1 A 61 61 ILE N N 61 109.398 112.350 -2.952 1 1 694 . 7 1 1 A 62 62 GLY H H 62 7.223 7.102 0.121 1 1 695 . 7 1 1 A 62 62 GLY HA2 H 62 4.493 3.996 0.497 1 1 696 . 7 1 1 A 62 62 GLY HA3 H 62 3.872 4.004 -0.132 1 1 697 . 7 1 1 A 62 62 GLY CA C 62 43.022 45.488 -2.466 1 1 698 . 7 1 1 A 62 62 GLY N N 62 109.035 109.395 -0.360 1 1 699 . 7 1 1 A 63 63 THR H H 63 8.910 8.595 0.315 1 1 700 . 7 1 1 A 63 63 THR HA H 63 4.599 4.201 0.398 1 1 705 . 7 1 1 A 63 63 THR CA C 63 64.037 63.622 0.415 1 1 706 . 7 1 1 A 63 63 THR CB C 63 68.111 69.032 -0.921 1 1 708 . 7 1 1 A 63 63 THR N N 63 119.711 115.877 3.834 1 1 709 . 7 1 1 A 64 64 LEU H H 64 9.070 8.867 0.203 1 1 710 . 7 1 1 A 64 64 LEU HA H 64 5.120 5.238 -0.118 1 1 720 . 7 1 1 A 64 64 LEU CA C 64 52.680 52.906 -0.226 1 1 721 . 7 1 1 A 64 64 LEU CB C 64 44.749 46.455 -1.706 1 1 725 . 7 1 1 A 64 64 LEU N N 64 127.640 123.096 4.544 1 1 726 . 7 1 1 A 65 65 ARG H H 65 9.271 8.883 0.388 1 1 727 . 7 1 1 A 65 65 ARG HA H 65 4.989 5.366 -0.377 1 1 735 . 7 1 1 A 65 65 ARG CA C 65 54.814 54.374 0.440 1 1 736 . 7 1 1 A 65 65 ARG CB C 65 31.836 33.690 -1.854 1 1 739 . 7 1 1 A 65 65 ARG N N 65 122.680 119.617 3.063 1 1 741 . 7 1 1 A 66 66 MET H H 66 9.310 9.100 0.210 1 1 742 . 7 1 1 A 66 66 MET HA H 66 5.822 5.779 0.043 1 1 747 . 7 1 1 A 66 66 MET CA C 66 53.936 54.036 -0.100 1 1 748 . 7 1 1 A 66 66 MET CB C 66 35.912 36.440 -0.528 1 1 750 . 7 1 1 A 66 66 MET N N 66 125.309 125.512 -0.203 1 1 751 . 7 1 1 A 67 67 SER H H 67 8.943 8.654 0.289 1 1 752 . 7 1 1 A 67 67 SER HA H 67 4.660 5.264 -0.604 1 1 755 . 7 1 1 A 67 67 SER CA C 67 57.460 56.683 0.777 1 1 756 . 7 1 1 A 67 67 SER CB C 67 65.747 65.957 -0.210 1 1 757 . 7 1 1 A 67 67 SER N N 67 112.115 115.988 -3.873 1 1 758 . 7 1 1 A 68 68 LEU H H 68 8.410 8.767 -0.357 1 1 759 . 7 1 1 A 68 68 LEU HA H 68 5.115 4.860 0.255 1 1 769 . 7 1 1 A 68 68 LEU CA C 68 52.837 53.778 -0.941 1 1 770 . 7 1 1 A 68 68 LEU CB C 68 42.269 41.376 0.893 1 1 774 . 7 1 1 A 68 68 LEU N N 68 118.367 124.842 -6.475 1 1 775 . 7 1 1 A 69 69 VAL H H 69 9.060 8.498 0.562 1 1 776 . 7 1 1 A 69 69 VAL HA H 69 4.440 4.587 -0.147 1 1 784 . 7 1 1 A 69 69 VAL CA C 69 59.852 59.581 0.271 1 1 785 . 7 1 1 A 69 69 VAL CB C 69 35.349 35.008 0.341 1 1 788 . 7 1 1 A 69 69 VAL N N 69 119.888 118.415 1.473 1 1 789 . 7 1 1 A 70 70 ASN H H 70 8.651 8.751 -0.100 1 1 790 . 7 1 1 A 70 70 ASN HA H 70 4.345 4.225 0.120 1 1 795 . 7 1 1 A 70 70 ASN CA C 70 53.555 54.072 -0.517 1 1 796 . 7 1 1 A 70 70 ASN CB C 70 36.932 36.913 0.019 1 1 797 . 7 1 1 A 70 70 ASN N N 70 119.166 117.723 1.443 1 1 799 . 7 1 1 A 71 71 ILE H H 71 8.449 8.057 0.392 1 1 800 . 7 1 1 A 71 71 ILE HA H 71 4.235 4.132 0.103 1 1 810 . 7 1 1 A 71 71 ILE CA C 71 63.104 61.885 1.219 1 1 811 . 7 1 1 A 71 71 ILE CB C 71 37.200 37.230 -0.030 1 1 815 . 7 1 1 A 71 71 ILE N N 71 121.388 119.600 1.788 1 1 816 . 7 1 1 A 72 72 THR H H 72 9.511 8.725 0.786 1 1 817 . 7 1 1 A 72 72 THR HA H 72 4.967 5.135 -0.168 1 1 822 . 7 1 1 A 72 72 THR CA C 72 59.584 58.446 1.138 1 1 823 . 7 1 1 A 72 72 THR CB C 72 71.930 70.626 1.304 1 1 825 . 7 1 1 A 72 72 THR N N 72 125.726 118.019 7.707 1 1 826 . 7 1 1 A 73 73 PRO HA H 73 4.822 4.671 0.151 1 1 833 . 7 1 1 A 73 73 PRO CA C 73 63.362 62.595 0.767 1 1 834 . 7 1 1 A 73 73 PRO CB C 73 32.451 32.582 -0.131 1 1 837 . 7 1 1 A 74 74 ASP H H 74 8.404 8.931 -0.527 1 1 838 . 7 1 1 A 74 74 ASP HA H 74 4.824 5.050 -0.226 1 1 841 . 7 1 1 A 74 74 ASP CA C 74 52.609 52.632 -0.023 1 1 842 . 7 1 1 A 74 74 ASP CB C 74 43.743 44.174 -0.431 1 1 843 . 7 1 1 A 74 74 ASP N N 74 122.325 121.292 1.033 1 1 844 . 7 1 1 A 75 75 ALA H H 75 8.539 8.757 -0.218 1 1 845 . 7 1 1 A 75 75 ALA HA H 75 4.062 4.072 -0.010 1 1 849 . 7 1 1 A 75 75 ALA CA C 75 54.431 55.545 -1.114 1 1 850 . 7 1 1 A 75 75 ALA CB C 75 18.117 18.192 -0.075 1 1 851 . 7 1 1 A 75 75 ALA N N 75 123.501 126.495 -2.994 1 1 852 . 7 1 1 A 76 76 ASP H H 76 8.356 8.048 0.308 1 1 853 . 7 1 1 A 76 76 ASP HA H 76 4.815 4.451 0.364 1 1 856 . 7 1 1 A 76 76 ASP CA C 76 53.161 56.214 -3.053 1 1 857 . 7 1 1 A 76 76 ASP CB C 76 41.234 41.657 -0.423 1 1 858 . 7 1 1 A 76 76 ASP N N 76 115.326 117.684 -2.358 1 1 859 . 7 1 1 A 77 77 GLY H H 77 7.569 7.074 0.495 1 1 860 . 7 1 1 A 77 77 GLY HA2 H 77 3.925 4.069 -0.144 1 1 861 . 7 1 1 A 77 77 GLY HA3 H 77 4.508 4.088 0.420 1 1 862 . 7 1 1 A 77 77 GLY CA C 77 46.675 46.139 0.536 1 1 863 . 7 1 1 A 77 77 GLY N N 77 109.452 103.807 5.645 1 1 864 . 7 1 1 A 78 78 THR H H 78 8.272 8.490 -0.218 1 1 865 . 7 1 1 A 78 78 THR HA H 78 4.655 4.995 -0.340 1 1 870 . 7 1 1 A 78 78 THR CA C 78 63.204 61.184 2.020 1 1 871 . 7 1 1 A 78 78 THR CB C 78 72.222 71.980 0.242 1 1 873 . 7 1 1 A 78 78 THR N N 78 122.442 115.473 6.969 1 1 874 . 7 1 1 A 79 79 THR H H 79 9.027 9.112 -0.085 1 1 875 . 7 1 1 A 79 79 THR HA H 79 5.164 5.387 -0.223 1 1 880 . 7 1 1 A 79 79 THR CA C 79 60.303 60.528 -0.225 1 1 881 . 7 1 1 A 79 79 THR CB C 79 70.442 70.396 0.046 1 1 883 . 7 1 1 A 79 79 THR N N 79 121.451 118.791 2.660 1 1 884 . 7 1 1 A 80 80 LEU H H 80 8.698 8.898 -0.200 1 1 885 . 7 1 1 A 80 80 LEU HA H 80 4.835 5.342 -0.507 1 1 895 . 7 1 1 A 80 80 LEU CA C 80 54.194 53.070 1.124 1 1 896 . 7 1 1 A 80 80 LEU CB C 80 44.576 46.056 -1.480 1 1 900 . 7 1 1 A 80 80 LEU N N 80 119.374 124.017 -4.643 1 1 901 . 7 1 1 A 81 81 THR H H 81 8.675 9.006 -0.331 1 1 902 . 7 1 1 A 81 81 THR HA H 81 4.740 4.820 -0.080 1 1 907 . 7 1 1 A 81 81 THR CA C 81 61.838 62.144 -0.306 1 1 908 . 7 1 1 A 81 81 THR CB C 81 70.190 69.513 0.677 1 1 910 . 7 1 1 A 81 81 THR N N 81 116.982 117.696 -0.714 1 1 911 . 7 1 1 A 82 82 LEU H H 82 8.898 9.082 -0.184 1 1 912 . 7 1 1 A 82 82 LEU HA H 82 4.748 4.919 -0.171 1 1 922 . 7 1 1 A 82 82 LEU CA C 82 53.076 54.095 -1.019 1 1 923 . 7 1 1 A 82 82 LEU CB C 82 43.189 43.337 -0.148 1 1 927 . 7 1 1 A 82 82 LEU N N 82 130.905 129.682 1.223 1 1 928 . 7 1 1 A 83 83 ARG H H 83 9.162 8.821 0.341 1 1 929 . 7 1 1 A 83 83 ARG HA H 83 5.174 5.191 -0.017 1 1 936 . 7 1 1 A 83 83 ARG CA C 83 54.441 55.192 -0.751 1 1 937 . 7 1 1 A 83 83 ARG CB C 83 31.332 31.082 0.250 1 1 940 . 7 1 1 A 83 83 ARG N N 83 131.064 126.308 4.756 1 1 941 . 7 1 1 A 84 84 ILE H H 84 9.474 9.150 0.324 1 1 942 . 7 1 1 A 84 84 ILE HA H 84 4.611 5.083 -0.472 1 1 952 . 7 1 1 A 84 84 ILE CA C 84 60.486 59.929 0.557 1 1 953 . 7 1 1 A 84 84 ILE CB C 84 40.120 39.434 0.686 1 1 957 . 7 1 1 A 84 84 ILE N N 84 128.394 125.953 2.441 1 1 958 . 7 1 1 A 85 85 GLN H H 85 9.137 8.896 0.241 1 1 959 . 7 1 1 A 85 85 GLN HA H 85 5.457 4.970 0.487 1 1 966 . 7 1 1 A 85 85 GLN CA C 85 53.109 54.145 -1.036 1 1 967 . 7 1 1 A 85 85 GLN CB C 85 32.450 32.257 0.193 1 1 969 . 7 1 1 A 85 85 GLN N N 85 124.857 124.867 -0.010 1 1 971 . 7 1 1 A 86 86 GLY H H 86 9.090 8.948 0.142 1 1 972 . 7 1 1 A 86 86 GLY HA2 H 86 3.813 4.005 -0.192 1 1 973 . 7 1 1 A 86 86 GLY HA3 H 86 4.499 4.018 0.481 1 1 974 . 7 1 1 A 86 86 GLY CA C 86 44.877 45.548 -0.671 1 1 975 . 7 1 1 A 86 86 GLY N N 86 110.702 113.020 -2.318 1 1 976 . 7 1 1 A 87 87 GLU H H 87 8.128 8.854 -0.726 1 1 977 . 7 1 1 A 87 87 GLU HA H 87 4.472 4.439 0.033 1 1 982 . 7 1 1 A 87 87 GLU CA C 87 56.057 55.486 0.571 1 1 983 . 7 1 1 A 87 87 GLU CB C 87 29.943 28.026 1.917 1 1 985 . 7 1 1 A 87 87 GLU N N 87 120.445 123.691 -3.246 1 1 986 . 7 1 1 A 88 88 SER H H 88 8.063 7.999 0.064 1 1 987 . 7 1 1 A 88 88 SER HA H 88 4.469 4.700 -0.231 1 1 990 . 7 1 1 A 88 88 SER CA C 88 57.472 56.502 0.970 1 1 991 . 7 1 1 A 88 88 SER CB C 88 63.799 64.310 -0.511 1 1 992 . 7 1 1 A 88 88 SER N N 88 113.821 119.479 -5.658 1 1 993 . 7 1 1 A 89 89 ASN H H 89 8.502 8.551 -0.049 1 1 994 . 7 1 1 A 89 89 ASN HA H 89 4.533 4.931 -0.398 1 1 999 . 7 1 1 A 89 89 ASN CA C 89 53.715 53.727 -0.012 1 1 1000 . 7 1 1 A 89 89 ASN CB C 89 38.212 39.271 -1.059 1 1 1001 . 7 1 1 A 89 89 ASN N N 89 119.482 120.409 -0.927 1 1 1003 . 7 1 1 A 90 90 ASP H H 90 8.104 7.625 0.479 1 1 1004 . 7 1 1 A 90 90 ASP HA H 90 5.061 5.243 -0.182 1 1 1007 . 7 1 1 A 90 90 ASP CA C 90 51.392 51.367 0.025 1 1 1008 . 7 1 1 A 90 90 ASP CB C 90 41.223 42.442 -1.219 1 1 1009 . 7 1 1 A 90 90 ASP N N 90 119.891 117.592 2.299 1 1 1010 . 7 1 1 A 91 91 PRO HA H 91 4.156 4.632 -0.476 1 1 1017 . 7 1 1 A 91 91 PRO CA C 91 62.200 62.339 -0.139 1 1 1018 . 7 1 1 A 91 91 PRO CB C 91 30.844 33.189 -2.345 1 1 1021 . 7 1 1 A 92 92 LEU H H 92 8.206 8.129 0.077 1 1 1022 . 7 1 1 A 92 92 LEU HA H 92 4.504 4.909 -0.405 1 1 1032 . 7 1 1 A 92 92 LEU CA C 92 52.697 51.770 0.927 1 1 1033 . 7 1 1 A 92 92 LEU CB C 92 41.249 45.600 -4.351 1 1 1037 . 7 1 1 A 92 92 LEU N N 92 123.954 121.582 2.372 1 1 1038 . 7 1 1 A 93 93 PRO HA H 93 4.808 4.614 0.194 1 1 1045 . 7 1 1 A 93 93 PRO CA C 93 61.122 62.321 -1.199 1 1 1046 . 7 1 1 A 93 93 PRO CB C 93 32.289 32.449 -0.160 1 1 1049 . 7 1 1 A 94 94 ALA H H 94 8.420 8.389 0.031 1 1 1050 . 7 1 1 A 94 94 ALA HA H 94 4.164 4.392 -0.228 1 1 1054 . 7 1 1 A 94 94 ALA CA C 94 52.655 52.676 -0.021 1 1 1055 . 7 1 1 A 94 94 ALA CB C 94 18.563 19.756 -1.193 1 1 1056 . 7 1 1 A 94 94 ALA N N 94 120.368 122.991 -2.623 1 1 1057 . 7 1 1 A 95 95 PHE H H 95 7.961 7.994 -0.033 1 1 1058 . 7 1 1 A 95 95 PHE HA H 95 5.489 5.404 0.085 1 1 1066 . 7 1 1 A 95 95 PHE CA C 95 56.213 55.624 0.589 1 1 1067 . 7 1 1 A 95 95 PHE CB C 95 41.552 42.060 -0.508 1 1 1071 . 7 1 1 A 95 95 PHE N N 95 115.209 116.989 -1.780 1 1 1072 . 7 1 1 A 96 96 SER H H 96 9.231 9.515 -0.284 1 1 1073 . 7 1 1 A 96 96 SER HA H 96 5.427 5.471 -0.044 1 1 1076 . 7 1 1 A 96 96 SER CA C 96 55.549 56.408 -0.859 1 1 1077 . 7 1 1 A 96 96 SER CB C 96 66.681 66.422 0.259 1 1 1078 . 7 1 1 A 96 96 SER N N 96 114.106 114.313 -0.207 1 1 1079 . 7 1 1 A 97 97 GLY H H 97 8.269 8.243 0.026 1 1 1080 . 7 1 1 A 97 97 GLY HA2 H 97 4.612 4.230 0.382 1 1 1081 . 7 1 1 A 97 97 GLY HA3 H 97 3.571 4.258 -0.687 1 1 1082 . 7 1 1 A 97 97 GLY CA C 97 45.139 45.509 -0.370 1 1 1083 . 7 1 1 A 97 97 GLY N N 97 104.730 107.084 -2.354 1 1 1084 . 7 1 1 A 98 98 THR H H 98 8.068 8.204 -0.136 1 1 1085 . 7 1 1 A 98 98 THR HA H 98 4.836 4.809 0.027 1 1 1090 . 7 1 1 A 98 98 THR CA C 98 62.462 61.630 0.832 1 1 1091 . 7 1 1 A 98 98 THR CB C 98 70.240 69.427 0.813 1 1 1093 . 7 1 1 A 98 98 THR N N 98 115.596 115.667 -0.071 1 1 1094 . 7 1 1 A 99 99 VAL H H 99 9.016 9.007 0.009 1 1 1095 . 7 1 1 A 99 99 VAL HA H 99 5.040 5.111 -0.071 1 1 1103 . 7 1 1 A 99 99 VAL CA C 99 59.695 60.411 -0.716 1 1 1104 . 7 1 1 A 99 99 VAL CB C 99 33.810 33.592 0.218 1 1 1107 . 7 1 1 A 99 99 VAL N N 99 124.571 122.695 1.876 1 1 1108 . 7 1 1 A 100 100 GLU H H 100 9.595 9.265 0.330 1 1 1109 . 7 1 1 A 100 100 GLU HA H 100 5.463 5.026 0.437 1 1 1114 . 7 1 1 A 100 100 GLU CA C 100 53.132 55.214 -2.082 1 1 1115 . 7 1 1 A 100 100 GLU CB C 100 31.806 31.380 0.426 1 1 1117 . 7 1 1 A 100 100 GLU N N 100 125.607 125.593 0.014 1 1 1118 . 7 1 1 A 101 101 TYR H H 101 8.576 8.519 0.057 1 1 1119 . 7 1 1 A 101 101 TYR HA H 101 4.568 5.496 -0.928 1 1 1126 . 7 1 1 A 101 101 TYR CA C 101 54.809 54.836 -0.027 1 1 1127 . 7 1 1 A 101 101 TYR CB C 101 39.516 41.936 -2.420 1 1 1130 . 7 1 1 A 101 101 TYR N N 101 117.224 122.142 -4.918 1 1 1131 . 7 1 1 A 102 102 GLY H H 102 6.489 7.390 -0.901 1 1 1132 . 7 1 1 A 102 102 GLY HA2 H 102 3.948 4.163 -0.215 1 1 1133 . 7 1 1 A 102 102 GLY HA3 H 102 4.190 4.214 -0.024 1 1 1134 . 7 1 1 A 102 102 GLY CA C 102 46.509 45.978 0.531 1 1 1135 . 7 1 1 A 102 102 GLY N N 102 103.890 106.094 -2.204 1 1 1136 . 7 1 1 A 103 103 GLN H H 103 8.789 8.820 -0.031 1 1 1137 . 7 1 1 A 103 103 GLN HA H 103 4.893 5.226 -0.333 1 1 1144 . 7 1 1 A 103 103 GLN CA C 103 54.742 54.250 0.492 1 1 1145 . 7 1 1 A 103 103 GLN CB C 103 31.972 32.557 -0.585 1 1 1147 . 7 1 1 A 103 103 GLN N N 103 121.055 120.201 0.854 1 1 1149 . 7 1 1 A 104 104 ILE H H 104 8.877 9.060 -0.183 1 1 1150 . 7 1 1 A 104 104 ILE HA H 104 5.033 5.008 0.025 1 1 1160 . 7 1 1 A 104 104 ILE CA C 104 59.495 60.253 -0.758 1 1 1161 . 7 1 1 A 104 104 ILE CB C 104 40.485 41.144 -0.659 1 1 1165 . 7 1 1 A 104 104 ILE N N 104 119.483 120.978 -1.495 1 1 1166 . 7 1 1 A 105 105 GLN H H 105 8.807 8.557 0.250 1 1 1167 . 7 1 1 A 105 105 GLN HA H 105 4.785 4.625 0.160 1 1 1174 . 7 1 1 A 105 105 GLN CA C 105 53.586 55.320 -1.734 1 1 1175 . 7 1 1 A 105 105 GLN CB C 105 32.029 28.816 3.213 1 1 1177 . 7 1 1 A 105 105 GLN N N 105 126.014 123.037 2.977 1 1 1179 . 7 1 1 A 106 106 GLY H H 106 8.680 7.885 0.795 1 1 1180 . 7 1 1 A 106 106 GLY HA2 H 106 4.878 4.088 0.790 1 1 1181 . 7 1 1 A 106 106 GLY HA3 H 106 3.898 4.123 -0.225 1 1 1182 . 7 1 1 A 106 106 GLY CA C 106 43.994 45.308 -1.314 1 1 1183 . 7 1 1 A 106 106 GLY N N 106 111.899 109.903 1.996 1 1 1184 . 7 1 1 A 107 107 THR H H 107 7.984 8.418 -0.434 1 1 1185 . 7 1 1 A 107 107 THR HA H 107 4.571 4.750 -0.179 1 1 1190 . 7 1 1 A 107 107 THR CA C 107 59.611 60.102 -0.491 1 1 1191 . 7 1 1 A 107 107 THR CB C 107 71.146 72.143 -0.997 1 1 1193 . 7 1 1 A 107 107 THR N N 107 111.498 109.723 1.775 1 1 1194 . 7 1 1 A 108 108 ILE H H 108 8.345 9.022 -0.677 1 1 1195 . 7 1 1 A 108 108 ILE HA H 108 3.775 3.678 0.097 1 1 1205 . 7 1 1 A 108 108 ILE CA C 108 62.916 65.115 -2.199 1 1 1206 . 7 1 1 A 108 108 ILE CB C 108 37.737 37.303 0.434 1 1 1210 . 7 1 1 A 108 108 ILE N N 108 117.576 122.806 -5.230 1 1 1211 . 7 1 1 A 109 109 ASP H H 109 7.753 7.980 -0.227 1 1 1212 . 7 1 1 A 109 109 ASP HA H 109 4.564 4.604 -0.040 1 1 1215 . 7 1 1 A 109 109 ASP CA C 109 54.540 56.345 -1.805 1 1 1216 . 7 1 1 A 109 109 ASP CB C 109 41.360 41.482 -0.122 1 1 1217 . 7 1 1 A 109 109 ASP N N 109 116.045 120.325 -4.280 1 1 1218 . 7 1 1 A 110 110 ASN H H 110 7.719 7.707 0.012 1 1 1219 . 7 1 1 A 110 110 ASN HA H 110 4.723 5.002 -0.279 1 1 1224 . 7 1 1 A 110 110 ASN CA C 110 53.036 52.112 0.924 1 1 1225 . 7 1 1 A 110 110 ASN CB C 110 38.443 40.155 -1.712 1 1 1226 . 7 1 1 A 110 110 ASN N N 110 119.075 113.395 5.680 1 1 1228 . 7 1 1 A 111 111 PHE H H 111 7.977 8.603 -0.626 1 1 1229 . 7 1 1 A 111 111 PHE HA H 111 5.249 5.602 -0.353 1 1 1237 . 7 1 1 A 111 111 PHE CA C 111 56.627 55.170 1.457 1 1 1238 . 7 1 1 A 111 111 PHE CB C 111 40.215 42.825 -2.610 1 1 1242 . 7 1 1 A 111 111 PHE N N 111 122.138 119.266 2.872 1 1 1243 . 7 1 1 A 112 112 GLN H H 112 8.715 8.726 -0.011 1 1 1244 . 7 1 1 A 112 112 GLN HA H 112 4.540 4.958 -0.418 1 1 1251 . 7 1 1 A 112 112 GLN CA C 112 54.035 54.225 -0.190 1 1 1252 . 7 1 1 A 112 112 GLN CB C 112 31.861 32.446 -0.585 1 1 1254 . 7 1 1 A 112 112 GLN N N 112 119.575 118.591 0.984 1 1 1256 . 7 1 1 A 113 113 GLU H H 113 8.546 8.724 -0.178 1 1 1257 . 7 1 1 A 113 113 GLU HA H 113 4.780 5.087 -0.307 1 1 1262 . 7 1 1 A 113 113 GLU CA C 113 55.412 56.504 -1.092 1 1 1263 . 7 1 1 A 113 113 GLU CB C 113 29.886 30.335 -0.449 1 1 1265 . 7 1 1 A 113 113 GLU N N 113 122.846 122.952 -0.106 1 1 1266 . 7 1 1 A 114 114 ILE H H 114 8.913 8.798 0.115 1 1 1267 . 7 1 1 A 114 114 ILE HA H 114 4.662 4.688 -0.026 1 1 1277 . 7 1 1 A 114 114 ILE CA C 114 59.144 59.273 -0.129 1 1 1278 . 7 1 1 A 114 114 ILE CB C 114 41.873 40.937 0.936 1 1 1282 . 7 1 1 A 114 114 ILE N N 114 120.222 120.165 0.057 1 1 1283 . 7 1 1 A 115 115 ASN H H 115 8.916 8.766 0.150 1 1 1284 . 7 1 1 A 115 115 ASN HA H 115 4.340 4.265 0.075 1 1 1289 . 7 1 1 A 115 115 ASN CA C 115 53.444 54.265 -0.821 1 1 1290 . 7 1 1 A 115 115 ASN CB C 115 36.467 36.984 -0.517 1 1 1291 . 7 1 1 A 115 115 ASN N N 115 120.916 118.836 2.080 1 1 1293 . 7 1 1 A 116 116 VAL H H 116 8.044 7.869 0.175 1 1 1294 . 7 1 1 A 116 116 VAL HA H 116 4.389 4.603 -0.214 1 1 1302 . 7 1 1 A 116 116 VAL CA C 116 63.183 61.040 2.143 1 1 1303 . 7 1 1 A 116 116 VAL CB C 116 32.216 33.276 -1.060 1 1 1306 . 7 1 1 A 116 116 VAL N N 116 117.046 119.207 -2.161 1 1 1307 . 7 1 1 A 117 117 GLN H H 117 8.582 8.609 -0.027 1 1 1308 . 7 1 1 A 117 117 GLN HA H 117 4.550 4.861 -0.311 1 1 1315 . 7 1 1 A 117 117 GLN CA C 117 53.827 53.818 0.009 1 1 1316 . 7 1 1 A 117 117 GLN CB C 117 33.119 32.401 0.718 1 1 1318 . 7 1 1 A 117 117 GLN N N 117 127.086 124.709 2.377 1 1 1320 . 7 1 1 A 118 118 ASN H H 118 8.330 8.591 -0.261 1 1 1321 . 7 1 1 A 118 118 ASN HA H 118 5.845 6.113 -0.268 1 1 1326 . 7 1 1 A 118 118 ASN CA C 118 51.736 51.545 0.191 1 1 1327 . 7 1 1 A 118 118 ASN CB C 118 42.644 41.032 1.612 1 1 1328 . 7 1 1 A 118 118 ASN N N 118 113.251 118.597 -5.346 1 1 1330 . 7 1 1 A 119 119 GLN H H 119 9.187 8.898 0.289 1 1 1331 . 7 1 1 A 119 119 GLN HA H 119 4.693 4.976 -0.283 1 1 1338 . 7 1 1 A 119 119 GLN CA C 119 55.160 54.581 0.579 1 1 1339 . 7 1 1 A 119 119 GLN CB C 119 34.157 32.841 1.316 1 1 1341 . 7 1 1 A 119 119 GLN N N 119 116.799 119.919 -3.120 1 1 1343 . 7 1 1 A 120 120 LEU H H 120 8.544 8.723 -0.179 1 1 1344 . 7 1 1 A 120 120 LEU HA H 120 5.059 5.005 0.054 1 1 1354 . 7 1 1 A 120 120 LEU CA C 120 54.327 53.734 0.593 1 1 1355 . 7 1 1 A 120 120 LEU CB C 120 42.839 41.976 0.863 1 1 1359 . 7 1 1 A 120 120 LEU N N 120 123.292 126.867 -3.575 1 1 1360 . 7 1 1 A 121 121 ILE H H 121 8.657 9.019 -0.362 1 1 1361 . 7 1 1 A 121 121 ILE HA H 121 4.778 4.925 -0.147 1 1 1371 . 7 1 1 A 121 121 ILE CA C 121 58.770 59.281 -0.511 1 1 1372 . 7 1 1 A 121 121 ILE CB C 121 41.582 39.244 2.338 1 1 1376 . 7 1 1 A 121 121 ILE N N 121 116.046 122.369 -6.323 1 1 1377 . 7 1 1 A 122 122 ASN H H 122 8.329 8.888 -0.559 1 1 1378 . 7 1 1 A 122 122 ASN HA H 122 5.068 5.441 -0.373 1 1 1383 . 7 1 1 A 122 122 ASN CA C 122 52.654 51.560 1.094 1 1 1384 . 7 1 1 A 122 122 ASN CB C 122 42.112 41.297 0.815 1 1 1385 . 7 1 1 A 122 122 ASN N N 122 118.416 121.685 -3.269 1 1 1387 . 7 1 1 A 123 123 ALA H H 123 8.547 8.663 -0.116 1 1 1388 . 7 1 1 A 123 123 ALA HA H 123 4.597 4.485 0.112 1 1 1392 . 7 1 1 A 123 123 ALA CA C 123 48.537 48.596 -0.059 1 1 1393 . 7 1 1 A 123 123 ALA CB C 123 19.998 20.284 -0.286 1 1 1394 . 7 1 1 A 123 123 ALA N N 123 124.108 126.766 -2.658 1 1 1395 . 7 1 1 A 124 124 PRO HA H 124 4.537 4.459 0.078 1 1 1402 . 7 1 1 A 124 124 PRO CA C 124 60.979 62.442 -1.463 1 1 1403 . 7 1 1 A 124 124 PRO CB C 124 32.285 32.310 -0.025 1 1 1406 . 7 1 1 A 125 125 ALA H H 125 8.587 8.239 0.348 1 1 1407 . 7 1 1 A 125 125 ALA HA H 125 3.899 4.419 -0.520 1 1 1411 . 7 1 1 A 125 125 ALA CA C 125 52.692 52.116 0.576 1 1 1412 . 7 1 1 A 125 125 ALA CB C 125 18.631 19.317 -0.686 1 1 1413 . 7 1 1 A 125 125 ALA N N 125 121.333 124.131 -2.798 1 1 1414 . 7 1 1 A 126 126 SER H H 126 8.227 8.700 -0.473 1 1 1415 . 7 1 1 A 126 126 SER HA H 126 4.616 4.567 0.049 1 1 1418 . 7 1 1 A 126 126 SER CA C 126 59.168 58.259 0.909 1 1 1419 . 7 1 1 A 126 126 SER CB C 126 64.636 62.547 2.089 1 1 1420 . 7 1 1 A 126 126 SER N N 126 118.947 119.539 -0.592 1 1 1421 . 7 1 1 A 127 127 VAL H H 127 8.595 8.411 0.184 1 1 1422 . 7 1 1 A 127 127 VAL HA H 127 4.276 4.076 0.200 1 1 1430 . 7 1 1 A 127 127 VAL CA C 127 62.194 65.259 -3.065 1 1 1431 . 7 1 1 A 127 127 VAL CB C 127 32.852 32.266 0.586 1 1 1434 . 7 1 1 A 127 127 VAL N N 127 117.209 127.734 -10.525 1 1 1435 . 7 1 1 A 128 128 LEU H H 128 7.844 7.534 0.310 1 1 1436 . 7 1 1 A 128 128 LEU HA H 128 4.588 4.489 0.099 1 1 1446 . 7 1 1 A 128 128 LEU CA C 128 53.639 53.863 -0.224 1 1 1447 . 7 1 1 A 128 128 LEU CB C 128 44.574 43.364 1.210 1 1 1451 . 7 1 1 A 128 128 LEU N N 128 121.103 120.190 0.913 1 1 1452 . 7 1 1 A 129 129 ALA H H 129 8.377 8.648 -0.271 1 1 1453 . 7 1 1 A 129 129 ALA HA H 129 4.538 4.795 -0.257 1 1 1457 . 7 1 1 A 129 129 ALA CA C 129 53.476 49.300 4.176 1 1 1458 . 7 1 1 A 129 129 ALA CB C 129 20.982 21.860 -0.878 1 1 1459 . 7 1 1 A 129 129 ALA N N 129 123.679 122.233 1.446 1 1 1460 . 7 1 1 A 130 130 PRO HA H 130 4.669 4.575 0.094 1 1 1467 . 7 1 1 A 130 130 PRO CA C 130 62.314 62.225 0.089 1 1 1468 . 7 1 1 A 130 130 PRO CB C 130 33.473 32.513 0.960 1 1 1471 . 7 1 1 A 131 131 SER H H 131 9.365 8.461 0.904 1 1 1472 . 7 1 1 A 131 131 SER HA H 131 4.520 4.607 -0.087 1 1 1475 . 7 1 1 A 131 131 SER CA C 131 59.385 58.019 1.366 1 1 1476 . 7 1 1 A 131 131 SER CB C 131 63.866 63.055 0.811 1 1 1477 . 7 1 1 A 131 131 SER N N 131 122.226 117.122 5.104 1 1 1478 . 7 1 1 A 132 132 ASP H H 132 8.608 8.613 -0.005 1 1 1479 . 7 1 1 A 132 132 ASP HA H 132 5.260 5.902 -0.642 1 1 1482 . 7 1 1 A 132 132 ASP CA C 132 53.345 52.516 0.829 1 1 1483 . 7 1 1 A 132 132 ASP CB C 132 41.791 43.900 -2.109 1 1 1484 . 7 1 1 A 132 132 ASP N N 132 124.814 125.610 -0.796 1 1 1485 . 7 1 1 A 133 133 VAL H H 133 9.405 9.032 0.373 1 1 1486 . 7 1 1 A 133 133 VAL HA H 133 4.226 4.740 -0.514 1 1 1494 . 7 1 1 A 133 133 VAL CA C 133 61.669 61.141 0.528 1 1 1495 . 7 1 1 A 133 133 VAL CB C 133 34.448 34.825 -0.377 1 1 1498 . 7 1 1 A 133 133 VAL N N 133 127.192 121.113 6.079 1 1 1499 . 7 1 1 A 134 134 ASP H H 134 8.468 8.926 -0.458 1 1 1500 . 7 1 1 A 134 134 ASP HA H 134 5.368 5.466 -0.098 1 1 1503 . 7 1 1 A 134 134 ASP CA C 134 52.326 52.447 -0.121 1 1 1504 . 7 1 1 A 134 134 ASP CB C 134 41.245 42.215 -0.970 1 1 1505 . 7 1 1 A 134 134 ASP N N 134 127.161 126.325 0.836 1 1 1506 . 7 1 1 A 135 135 ILE H H 135 9.406 8.617 0.789 1 1 1507 . 7 1 1 A 135 135 ILE HA H 135 4.636 4.911 -0.275 1 1 1517 . 7 1 1 A 135 135 ILE CA C 135 57.478 56.976 0.502 1 1 1518 . 7 1 1 A 135 135 ILE CB C 135 39.411 40.052 -0.641 1 1 1522 . 7 1 1 A 135 135 ILE N N 135 125.603 121.712 3.891 1 1 1523 . 7 1 1 A 136 136 PRO HA H 136 4.844 4.778 0.066 1 1 1530 . 7 1 1 A 136 136 PRO CA C 136 62.314 62.578 -0.264 1 1 1531 . 7 1 1 A 136 136 PRO CB C 136 31.563 31.666 -0.103 1 1 1534 . 7 1 1 A 137 137 LEU H H 137 9.196 8.808 0.388 1 1 1535 . 7 1 1 A 137 137 LEU HA H 137 4.739 4.877 -0.138 1 1 1545 . 7 1 1 A 137 137 LEU CA C 137 53.609 53.203 0.406 1 1 1546 . 7 1 1 A 137 137 LEU CB C 137 45.473 44.697 0.776 1 1 1550 . 7 1 1 A 137 137 LEU N N 137 124.087 123.695 0.392 1 1 1551 . 7 1 1 A 138 138 GLN H H 138 8.928 8.898 0.030 1 1 1552 . 7 1 1 A 138 138 GLN HA H 138 4.581 4.596 -0.015 1 1 1559 . 7 1 1 A 138 138 GLN CA C 138 54.780 54.809 -0.029 1 1 1560 . 7 1 1 A 138 138 GLN CB C 138 29.048 29.423 -0.375 1 1 1562 . 7 1 1 A 138 138 GLN N N 138 122.528 126.751 -4.223 1 1 1564 . 7 1 1 A 139 139 LEU H H 139 9.039 8.664 0.375 1 1 1565 . 7 1 1 A 139 139 LEU HA H 139 4.205 4.203 0.002 1 1 1575 . 7 1 1 A 139 139 LEU CA C 139 52.367 54.231 -1.864 1 1 1576 . 7 1 1 A 139 139 LEU CB C 139 38.673 41.353 -2.680 1 1 1580 . 7 1 1 A 139 139 LEU N N 139 127.667 127.167 0.500 1 1 1581 . 7 1 1 A 140 140 LYS H H 140 8.078 8.523 -0.445 1 1 1582 . 7 1 1 A 140 140 LYS HA H 140 4.352 4.520 -0.168 1 1 1591 . 7 1 1 A 140 140 LYS CA C 140 56.826 55.508 1.318 1 1 1592 . 7 1 1 A 140 140 LYS CB C 140 32.657 34.097 -1.440 1 1 1596 . 7 1 1 A 140 140 LYS N N 140 124.108 123.456 0.652 1 1 1597 . 7 1 1 A 141 141 GLY H H 141 9.166 9.047 0.119 1 1 1598 . 7 1 1 A 141 141 GLY HA2 H 141 3.788 3.993 -0.205 1 1 1599 . 7 1 1 A 141 141 GLY HA3 H 141 4.119 4.027 0.092 1 1 1600 . 7 1 1 A 141 141 GLY CA C 141 45.682 45.286 0.396 1 1 1601 . 7 1 1 A 141 141 GLY N N 141 110.698 111.306 -0.608 1 1 1602 . 7 1 1 A 142 142 ILE H H 142 7.112 7.864 -0.752 1 1 1603 . 7 1 1 A 142 142 ILE HA H 142 4.600 4.822 -0.222 1 1 1613 . 7 1 1 A 142 142 ILE CA C 142 58.547 59.953 -1.406 1 1 1614 . 7 1 1 A 142 142 ILE CB C 142 40.437 41.070 -0.633 1 1 1618 . 7 1 1 A 142 142 ILE N N 142 117.928 122.265 -4.337 1 1 1619 . 7 1 1 A 143 143 SER H H 143 8.381 8.982 -0.601 1 1 1620 . 7 1 1 A 143 143 SER HA H 143 4.613 4.518 0.095 1 1 1623 . 7 1 1 A 143 143 SER CA C 143 56.654 58.256 -1.602 1 1 1624 . 7 1 1 A 143 143 SER CB C 143 65.051 64.035 1.016 1 1 1625 . 7 1 1 A 143 143 SER N N 143 123.373 125.368 -1.995 1 1 1626 . 7 1 1 A 144 144 VAL H H 144 8.702 8.611 0.091 1 1 1627 . 7 1 1 A 144 144 VAL HA H 144 3.593 3.799 -0.206 1 1 1635 . 7 1 1 A 144 144 VAL CA C 144 65.655 65.195 0.460 1 1 1636 . 7 1 1 A 144 144 VAL CB C 144 31.434 31.684 -0.250 1 1 1639 . 7 1 1 A 144 144 VAL N N 144 120.791 126.111 -5.320 1 1 1640 . 7 1 1 A 145 145 ASP H H 145 8.151 8.151 0.000 1 1 1641 . 7 1 1 A 145 145 ASP HA H 145 4.435 4.432 0.003 1 1 1644 . 7 1 1 A 145 145 ASP CA C 145 55.211 56.450 -1.239 1 1 1645 . 7 1 1 A 145 145 ASP CB C 145 40.268 40.774 -0.506 1 1 1646 . 7 1 1 A 145 145 ASP N N 145 115.698 120.934 -5.236 1 1 1647 . 7 1 1 A 146 146 GLN H H 146 7.553 7.768 -0.215 1 1 1648 . 7 1 1 A 146 146 GLN HA H 146 4.302 4.405 -0.103 1 1 1655 . 7 1 1 A 146 146 GLN CA C 146 55.072 55.669 -0.597 1 1 1656 . 7 1 1 A 146 146 GLN CB C 146 29.990 29.460 0.530 1 1 1658 . 7 1 1 A 146 146 GLN N N 146 117.118 116.561 0.557 1 1 1660 . 7 1 1 A 147 147 LEU H H 147 7.368 7.523 -0.155 1 1 1661 . 7 1 1 A 147 147 LEU HA H 147 4.119 4.308 -0.189 1 1 1671 . 7 1 1 A 147 147 LEU CA C 147 54.904 54.763 0.141 1 1 1672 . 7 1 1 A 147 147 LEU CB C 147 40.355 41.052 -0.697 1 1 1676 . 7 1 1 A 147 147 LEU N N 147 121.541 121.553 -0.012 1 1 1677 . 7 1 1 A 148 148 GLY H H 148 8.791 8.906 -0.115 1 1 1678 . 7 1 1 A 148 148 GLY HA2 H 148 4.512 3.991 0.521 1 1 1679 . 7 1 1 A 148 148 GLY HA3 H 148 3.997 4.055 -0.058 1 1 1680 . 7 1 1 A 148 148 GLY CA C 148 45.610 46.112 -0.502 1 1 1681 . 7 1 1 A 148 148 GLY N N 148 116.322 113.233 3.089 1 1 1682 . 7 1 1 A 149 149 PHE H H 149 7.790 7.609 0.181 1 1 1683 . 7 1 1 A 149 149 PHE HA H 149 5.215 4.955 0.260 1 1 1691 . 7 1 1 A 149 149 PHE CA C 149 56.942 56.454 0.488 1 1 1692 . 7 1 1 A 149 149 PHE CB C 149 42.019 40.826 1.193 1 1 1696 . 7 1 1 A 149 149 PHE N N 149 113.675 113.216 0.459 1 1 1697 . 7 1 1 A 150 150 VAL H H 150 8.549 8.634 -0.085 1 1 1698 . 7 1 1 A 150 150 VAL HA H 150 4.776 4.644 0.132 1 1 1706 . 7 1 1 A 150 150 VAL CA C 150 61.068 61.597 -0.529 1 1 1707 . 7 1 1 A 150 150 VAL CB C 150 34.594 34.094 0.500 1 1 1710 . 7 1 1 A 150 150 VAL N N 150 118.208 119.941 -1.733 1 1 1711 . 7 1 1 A 151 151 ARG H H 151 9.953 9.535 0.418 1 1 1712 . 7 1 1 A 151 151 ARG HA H 151 5.783 5.176 0.607 1 1 1719 . 7 1 1 A 151 151 ARG CA C 151 53.530 55.707 -2.177 1 1 1720 . 7 1 1 A 151 151 ARG CB C 151 33.540 31.326 2.214 1 1 1723 . 7 1 1 A 151 151 ARG N N 151 128.446 128.617 -0.171 1 1 1724 . 7 1 1 A 152 152 ILE H H 152 8.905 9.018 -0.113 1 1 1725 . 7 1 1 A 152 152 ILE HA H 152 5.188 5.082 0.106 1 1 1735 . 7 1 1 A 152 152 ILE CA C 152 60.464 60.468 -0.004 1 1 1736 . 7 1 1 A 152 152 ILE CB C 152 39.542 39.278 0.264 1 1 1740 . 7 1 1 A 152 152 ILE N N 152 127.149 128.832 -1.683 1 1 1741 . 7 1 1 A 153 153 HIS H H 153 8.941 8.520 0.421 1 1 1742 . 7 1 1 A 153 153 HIS HA H 153 5.074 4.898 0.176 1 1 1747 . 7 1 1 A 153 153 HIS CA C 153 53.417 54.768 -1.351 1 1 1748 . 7 1 1 A 153 153 HIS CB C 153 31.734 32.155 -0.421 1 1 1751 . 7 1 1 A 153 153 HIS N N 153 119.132 123.339 -4.207 1 1 1752 . 7 1 1 A 154 154 ASP H H 154 9.109 9.228 -0.119 1 1 1753 . 7 1 1 A 154 154 ASP HA H 154 4.276 4.201 0.075 1 1 1756 . 7 1 1 A 154 154 ASP CA C 154 55.630 55.318 0.312 1 1 1757 . 7 1 1 A 154 154 ASP CB C 154 39.450 40.607 -1.157 1 1 1758 . 7 1 1 A 154 154 ASP N N 154 116.420 119.125 -2.705 1 1 1759 . 7 1 1 A 155 155 ILE H H 155 8.062 8.029 0.033 1 1 1760 . 7 1 1 A 155 155 ILE HA H 155 5.051 4.389 0.662 1 1 1770 . 7 1 1 A 155 155 ILE CA C 155 59.666 61.879 -2.213 1 1 1771 . 7 1 1 A 155 155 ILE CB C 155 35.757 37.163 -1.406 1 1 1775 . 7 1 1 A 155 155 ILE N N 155 119.131 120.428 -1.297 1 1 1776 . 7 1 1 A 156 156 GLN H H 156 9.011 9.163 -0.152 1 1 1777 . 7 1 1 A 156 156 GLN HA H 156 4.993 4.971 0.022 1 1 1784 . 7 1 1 A 156 156 GLN CA C 156 51.975 52.884 -0.909 1 1 1785 . 7 1 1 A 156 156 GLN CB C 156 31.210 31.720 -0.510 1 1 1787 . 7 1 1 A 156 156 GLN N N 156 127.177 124.101 3.076 1 1 1789 . 7 1 1 A 157 157 PRO HA H 157 4.964 4.994 -0.030 1 1 1796 . 7 1 1 A 157 157 PRO CA C 157 61.770 62.728 -0.958 1 1 1797 . 7 1 1 A 157 157 PRO CB C 157 31.637 32.866 -1.229 1 1 1800 . 7 1 1 A 158 158 VAL H H 158 7.921 8.522 -0.601 1 1 1801 . 7 1 1 A 158 158 VAL HA H 158 4.107 4.954 -0.847 1 1 1809 . 7 1 1 A 158 158 VAL CA C 158 62.234 59.378 2.856 1 1 1810 . 7 1 1 A 158 158 VAL CB C 158 32.610 34.940 -2.330 1 1 1813 . 7 1 1 A 158 158 VAL N N 158 121.642 115.748 5.894 1 1 1814 . 7 1 1 A 159 159 MET H H 159 8.544 8.830 -0.286 1 1 1815 . 7 1 1 A 159 159 MET HA H 159 4.548 4.978 -0.430 1 1 1820 . 7 1 1 A 159 159 MET CA C 159 54.731 54.187 0.544 1 1 1821 . 7 1 1 A 159 159 MET CB C 159 32.547 35.205 -2.658 1 1 1823 . 7 1 1 A 159 159 MET N N 159 124.452 119.848 4.604 1 1 1824 . 7 1 1 A 160 160 GLN H H 160 8.434 8.475 -0.041 1 1 1825 . 7 1 1 A 160 160 GLN HA H 160 4.354 4.259 0.095 1 1 1832 . 7 1 1 A 160 160 GLN CA C 160 55.399 55.493 -0.094 1 1 1833 . 7 1 1 A 160 160 GLN CB C 160 29.112 29.028 0.084 1 1 1835 . 7 1 1 A 160 160 GLN N N 160 121.917 119.264 2.653 1 1 1837 . 7 1 1 A 161 161 LEU H H 161 8.325 8.403 -0.078 1 1 1838 . 7 1 1 A 161 161 LEU HA H 161 4.314 4.307 0.007 1 1 1848 . 7 1 1 A 161 161 LEU CA C 161 55.040 54.811 0.229 1 1 1849 . 7 1 1 A 161 161 LEU CB C 161 42.225 42.447 -0.222 1 1 1853 . 7 1 1 A 161 161 LEU N N 161 123.826 122.119 1.707 1 1 1854 . 7 1 1 A 162 162 GLU H H 162 8.358 8.481 -0.123 1 1 1855 . 7 1 1 A 162 162 GLU HA H 162 4.216 4.476 -0.260 1 1 1860 . 7 1 1 A 162 162 GLU CA C 162 56.343 55.563 0.780 1 1 1861 . 7 1 1 A 162 162 GLU CB C 162 30.083 31.352 -1.269 1 1 1863 . 7 1 1 A 162 162 GLU N N 162 121.293 121.346 -0.053 1 1 1864 . 7 1 1 A 163 163 HIS H H 163 8.376 8.381 -0.005 1 1 1865 . 7 1 1 A 163 163 HIS HA H 163 4.641 4.846 -0.205 1 1 1868 . 7 1 1 A 163 163 HIS CA C 163 55.437 55.269 0.168 1 1 1869 . 7 1 1 A 163 163 HIS CB C 163 29.412 29.304 0.108 1 1 1870 . 7 1 1 A 163 163 HIS N N 163 121.307 121.682 -0.375 1 1 1871 . 7 1 1 A 164 164 HIS H H 164 8.289 7.831 0.458 1 1 1872 . 7 1 1 A 164 164 HIS N N 164 125.228 113.340 11.888 1 1 1873 . 7 1 1 A 166 166 HIS HA H 166 4.300 3.966 0.334 1 1 1876 . 7 1 1 A 166 166 HIS CA C 166 55.708 56.765 -1.057 1 1 1877 . 7 1 1 A 166 166 HIS CB C 166 29.207 28.285 0.922 1 1 1878 . 7 1 1 A 167 167 HIS H H 167 8.591 7.185 1.406 1 1 1879 . 7 1 1 A 167 167 HIS HA H 167 4.541 4.444 0.097 1 1 1882 . 7 1 1 A 167 167 HIS CA C 167 54.678 55.564 -0.886 1 1 1883 . 7 1 1 A 167 167 HIS CB C 167 26.256 32.258 -6.002 1 1 1884 . 7 1 1 A 167 167 HIS N N 167 121.317 118.117 3.200 1 1 1 . 8 1 1 A 2 2 VAL HA H 2 3.850 3.885 -0.035 1 1 9 . 8 1 1 A 2 2 VAL CA C 2 61.400 64.881 -3.481 1 1 10 . 8 1 1 A 2 2 VAL CB C 2 32.400 31.849 0.551 1 1 13 . 8 1 1 A 3 3 GLN HA H 3 4.445 3.987 0.458 1 1 18 . 8 1 1 A 3 3 GLN CA C 3 55.467 57.178 -1.711 1 1 19 . 8 1 1 A 3 3 GLN CB C 3 29.271 26.680 2.591 1 1 21 . 8 1 1 A 4 4 GLN H H 4 8.703 7.853 0.850 1 1 22 . 8 1 1 A 4 4 GLN HA H 4 4.356 4.521 -0.165 1 1 27 . 8 1 1 A 4 4 GLN CA C 4 55.961 55.055 0.906 1 1 28 . 8 1 1 A 4 4 GLN CB C 4 29.178 29.734 -0.556 1 1 30 . 8 1 1 A 4 4 GLN N N 4 123.281 118.708 4.573 1 1 31 . 8 1 1 A 5 5 SER H H 5 8.426 8.535 -0.109 1 1 32 . 8 1 1 A 5 5 SER HA H 5 4.424 4.494 -0.070 1 1 35 . 8 1 1 A 5 5 SER CA C 5 58.498 58.241 0.257 1 1 36 . 8 1 1 A 5 5 SER CB C 5 63.534 62.705 0.829 1 1 37 . 8 1 1 A 5 5 SER N N 5 116.845 116.504 0.341 1 1 38 . 8 1 1 A 6 6 GLU H H 6 8.434 8.422 0.012 1 1 39 . 8 1 1 A 6 6 GLU HA H 6 4.342 4.559 -0.217 1 1 44 . 8 1 1 A 6 6 GLU CA C 6 56.410 56.517 -0.107 1 1 45 . 8 1 1 A 6 6 GLU CB C 6 29.873 29.934 -0.061 1 1 47 . 8 1 1 A 6 6 GLU N N 6 122.965 127.147 -4.182 1 1 48 . 8 1 1 A 7 7 VAL H H 7 8.131 8.422 -0.291 1 1 49 . 8 1 1 A 7 7 VAL HA H 7 4.063 4.583 -0.520 1 1 57 . 8 1 1 A 7 7 VAL CA C 7 62.213 60.677 1.536 1 1 58 . 8 1 1 A 7 7 VAL CB C 7 32.391 33.102 -0.711 1 1 61 . 8 1 1 A 7 7 VAL N N 7 121.508 123.994 -2.486 1 1 62 . 8 1 1 A 8 8 ARG H H 8 8.376 8.457 -0.081 1 1 63 . 8 1 1 A 8 8 ARG HA H 8 4.335 4.620 -0.285 1 1 70 . 8 1 1 A 8 8 ARG CA C 8 56.013 55.028 0.985 1 1 71 . 8 1 1 A 8 8 ARG CB C 8 30.528 31.560 -1.032 1 1 74 . 8 1 1 A 8 8 ARG N N 8 124.504 121.914 2.590 1 1 75 . 8 1 1 A 9 9 GLN H H 9 8.360 8.394 -0.034 1 1 76 . 8 1 1 A 9 9 GLN HA H 9 4.353 4.249 0.104 1 1 81 . 8 1 1 A 9 9 GLN CA C 9 55.446 56.772 -1.326 1 1 82 . 8 1 1 A 9 9 GLN CB C 9 29.236 29.233 0.003 1 1 84 . 8 1 1 A 9 9 GLN N N 9 121.537 123.315 -1.778 1 1 85 . 8 1 1 A 10 10 MET H H 10 8.391 8.534 -0.143 1 1 86 . 8 1 1 A 10 10 MET HA H 10 4.459 4.647 -0.188 1 1 91 . 8 1 1 A 10 10 MET CA C 10 55.062 54.930 0.132 1 1 92 . 8 1 1 A 10 10 MET CB C 10 32.482 32.854 -0.372 1 1 94 . 8 1 1 A 10 10 MET N N 10 122.199 121.955 0.244 1 1 95 . 8 1 1 A 11 11 LYS H H 11 8.317 8.758 -0.441 1 1 96 . 8 1 1 A 11 11 LYS HA H 11 4.296 4.709 -0.413 1 1 105 . 8 1 1 A 11 11 LYS CA C 11 56.114 55.571 0.543 1 1 106 . 8 1 1 A 11 11 LYS CB C 11 32.372 32.938 -0.566 1 1 110 . 8 1 1 A 11 11 LYS N N 11 122.440 125.045 -2.605 1 1 111 . 8 1 1 A 12 12 HIS H H 12 8.489 8.767 -0.278 1 1 112 . 8 1 1 A 12 12 HIS HA H 12 4.748 5.275 -0.527 1 1 116 . 8 1 1 A 12 12 HIS CA C 12 55.052 54.518 0.534 1 1 117 . 8 1 1 A 12 12 HIS CB C 12 29.094 33.589 -4.495 1 1 119 . 8 1 1 A 12 12 HIS N N 12 119.934 124.644 -4.710 1 1 120 . 8 1 1 A 13 13 SER H H 13 8.401 8.587 -0.186 1 1 121 . 8 1 1 A 13 13 SER HA H 13 4.518 4.978 -0.460 1 1 124 . 8 1 1 A 13 13 SER CA C 13 57.855 57.363 0.492 1 1 125 . 8 1 1 A 13 13 SER CB C 13 63.750 65.855 -2.105 1 1 126 . 8 1 1 A 13 13 SER N N 13 117.596 119.798 -2.202 1 1 127 . 8 1 1 A 14 14 VAL H H 14 8.285 8.503 -0.218 1 1 128 . 8 1 1 A 14 14 VAL HA H 14 4.239 4.661 -0.422 1 1 136 . 8 1 1 A 14 14 VAL CA C 14 62.078 60.196 1.882 1 1 137 . 8 1 1 A 14 14 VAL CB C 14 32.564 35.379 -2.815 1 1 140 . 8 1 1 A 14 14 VAL N N 14 121.378 121.679 -0.301 1 1 141 . 8 1 1 A 15 15 SER H H 15 8.419 8.598 -0.179 1 1 142 . 8 1 1 A 15 15 SER HA H 15 4.556 5.240 -0.684 1 1 145 . 8 1 1 A 15 15 SER CA C 15 57.855 57.770 0.085 1 1 146 . 8 1 1 A 15 15 SER CB C 15 63.600 65.068 -1.468 1 1 147 . 8 1 1 A 15 15 SER N N 15 119.022 123.448 -4.426 1 1 148 . 8 1 1 A 16 16 THR H H 16 8.189 8.820 -0.631 1 1 149 . 8 1 1 A 16 16 THR HA H 16 4.362 5.140 -0.778 1 1 154 . 8 1 1 A 16 16 THR CA C 16 61.510 59.556 1.954 1 1 155 . 8 1 1 A 16 16 THR CB C 16 69.292 72.231 -2.939 1 1 157 . 8 1 1 A 16 16 THR N N 16 116.040 114.480 1.560 1 1 158 . 8 1 1 A 17 17 LEU H H 17 8.168 8.929 -0.761 1 1 159 . 8 1 1 A 17 17 LEU HA H 17 4.331 4.452 -0.121 1 1 169 . 8 1 1 A 17 17 LEU CA C 17 55.446 54.708 0.738 1 1 170 . 8 1 1 A 17 17 LEU CB C 17 42.032 40.691 1.341 1 1 174 . 8 1 1 A 17 17 LEU N N 17 123.796 123.348 0.448 1 1 175 . 8 1 1 A 18 18 ASN H H 18 8.406 9.138 -0.732 1 1 176 . 8 1 1 A 18 18 ASN HA H 18 4.685 4.920 -0.235 1 1 181 . 8 1 1 A 18 18 ASN CA C 18 53.276 54.742 -1.466 1 1 182 . 8 1 1 A 18 18 ASN CB C 18 38.462 40.763 -2.301 1 1 183 . 8 1 1 A 18 18 ASN N N 18 119.197 124.998 -5.801 1 1 185 . 8 1 1 A 19 19 GLN H H 19 8.346 7.771 0.575 1 1 186 . 8 1 1 A 19 19 GLN HA H 19 4.319 4.577 -0.258 1 1 193 . 8 1 1 A 19 19 GLN CA C 19 56.075 54.949 1.126 1 1 194 . 8 1 1 A 19 19 GLN CB C 19 29.077 29.272 -0.195 1 1 196 . 8 1 1 A 19 19 GLN N N 19 120.620 113.095 7.525 1 1 198 . 8 1 1 A 20 20 GLU H H 20 8.474 8.517 -0.043 1 1 199 . 8 1 1 A 20 20 GLU HA H 20 4.269 4.237 0.032 1 1 204 . 8 1 1 A 20 20 GLU CA C 20 56.932 56.652 0.280 1 1 205 . 8 1 1 A 20 20 GLU CB C 20 29.694 29.860 -0.166 1 1 207 . 8 1 1 A 20 20 GLU N N 20 121.410 120.201 1.209 1 1 208 . 8 1 1 A 21 21 MET H H 21 8.366 8.751 -0.385 1 1 209 . 8 1 1 A 21 21 MET HA H 21 4.538 4.521 0.017 1 1 214 . 8 1 1 A 21 21 MET CA C 21 55.812 54.775 1.037 1 1 215 . 8 1 1 A 21 21 MET CB C 21 32.188 33.743 -1.555 1 1 217 . 8 1 1 A 21 21 MET N N 21 120.618 122.235 -1.617 1 1 218 . 8 1 1 A 22 22 THR H H 22 8.127 8.595 -0.468 1 1 219 . 8 1 1 A 22 22 THR HA H 22 4.299 4.556 -0.257 1 1 224 . 8 1 1 A 22 22 THR CA C 22 62.287 61.135 1.152 1 1 225 . 8 1 1 A 22 22 THR CB C 22 69.174 70.739 -1.565 1 1 227 . 8 1 1 A 22 22 THR N N 22 114.858 112.371 2.487 1 1 228 . 8 1 1 A 23 23 GLN H H 23 8.342 8.357 -0.015 1 1 229 . 8 1 1 A 23 23 GLN HA H 23 4.339 4.265 0.074 1 1 236 . 8 1 1 A 23 23 GLN CA C 23 56.148 55.097 1.051 1 1 237 . 8 1 1 A 23 23 GLN CB C 23 29.112 29.285 -0.173 1 1 239 . 8 1 1 A 23 23 GLN N N 23 122.047 119.321 2.726 1 1 241 . 8 1 1 A 24 24 LEU H H 24 8.174 8.147 0.027 1 1 242 . 8 1 1 A 24 24 LEU HA H 24 4.334 4.255 0.079 1 1 252 . 8 1 1 A 24 24 LEU CA C 24 55.519 56.223 -0.704 1 1 253 . 8 1 1 A 24 24 LEU CB C 24 42.146 42.754 -0.608 1 1 257 . 8 1 1 A 24 24 LEU N N 24 122.328 121.211 1.117 1 1 258 . 8 1 1 A 25 25 ASN H H 25 8.384 8.578 -0.194 1 1 259 . 8 1 1 A 25 25 ASN HA H 25 4.692 5.119 -0.427 1 1 264 . 8 1 1 A 25 25 ASN CA C 25 53.481 51.865 1.616 1 1 265 . 8 1 1 A 25 25 ASN CB C 25 38.445 41.826 -3.381 1 1 266 . 8 1 1 A 25 25 ASN N N 25 119.262 124.264 -5.002 1 1 268 . 8 1 1 A 26 26 GLN H H 26 8.453 8.877 -0.424 1 1 269 . 8 1 1 A 26 26 GLN HA H 26 4.215 3.887 0.328 1 1 276 . 8 1 1 A 26 26 GLN CA C 26 57.037 59.596 -2.559 1 1 277 . 8 1 1 A 26 26 GLN CB C 26 28.996 28.637 0.359 1 1 279 . 8 1 1 A 26 26 GLN N N 26 120.394 123.033 -2.639 1 1 281 . 8 1 1 A 27 27 GLU H H 27 8.501 8.374 0.127 1 1 282 . 8 1 1 A 27 27 GLU HA H 27 4.202 4.110 0.092 1 1 287 . 8 1 1 A 27 27 GLU CA C 27 58.573 59.027 -0.454 1 1 288 . 8 1 1 A 27 27 GLU CB C 27 29.349 29.406 -0.057 1 1 290 . 8 1 1 A 27 27 GLU N N 27 121.130 117.836 3.294 1 1 291 . 8 1 1 A 28 28 THR H H 28 8.032 8.062 -0.030 1 1 292 . 8 1 1 A 28 28 THR HA H 28 4.079 3.961 0.118 1 1 297 . 8 1 1 A 28 28 THR CA C 28 64.762 66.267 -1.505 1 1 298 . 8 1 1 A 28 28 THR CB C 28 68.354 68.273 0.081 1 1 300 . 8 1 1 A 28 28 THR N N 28 114.032 116.947 -2.915 1 1 301 . 8 1 1 A 29 29 VAL H H 29 7.969 7.797 0.172 1 1 302 . 8 1 1 A 29 29 VAL HA H 29 3.812 3.569 0.243 1 1 310 . 8 1 1 A 29 29 VAL CA C 29 65.572 67.313 -1.741 1 1 311 . 8 1 1 A 29 29 VAL CB C 29 31.624 31.570 0.054 1 1 314 . 8 1 1 A 29 29 VAL N N 29 122.215 121.774 0.441 1 1 315 . 8 1 1 A 30 30 LYS H H 30 7.910 7.468 0.442 1 1 316 . 8 1 1 A 30 30 LYS HA H 30 4.175 3.896 0.279 1 1 325 . 8 1 1 A 30 30 LYS CA C 30 57.780 60.119 -2.339 1 1 326 . 8 1 1 A 30 30 LYS CB C 30 31.537 32.344 -0.807 1 1 330 . 8 1 1 A 30 30 LYS N N 30 119.387 118.668 0.719 1 1 331 . 8 1 1 A 31 31 ILE H H 31 8.277 8.138 0.139 1 1 332 . 8 1 1 A 31 31 ILE HA H 31 3.602 3.612 -0.010 1 1 342 . 8 1 1 A 31 31 ILE CA C 31 65.712 65.697 0.015 1 1 343 . 8 1 1 A 31 31 ILE CB C 31 38.559 37.871 0.688 1 1 347 . 8 1 1 A 31 31 ILE N N 31 121.053 120.593 0.460 1 1 348 . 8 1 1 A 32 32 THR H H 32 7.896 8.147 -0.251 1 1 349 . 8 1 1 A 32 32 THR HA H 32 4.004 3.819 0.185 1 1 354 . 8 1 1 A 32 32 THR CA C 32 65.922 67.025 -1.103 1 1 355 . 8 1 1 A 32 32 THR CB C 32 68.400 68.305 0.095 1 1 357 . 8 1 1 A 32 32 THR N N 32 115.554 117.031 -1.477 1 1 358 . 8 1 1 A 33 33 GLN H H 33 8.279 8.312 -0.033 1 1 359 . 8 1 1 A 33 33 GLN HA H 33 3.887 3.809 0.078 1 1 366 . 8 1 1 A 33 33 GLN CA C 33 59.052 58.989 0.063 1 1 367 . 8 1 1 A 33 33 GLN CB C 33 27.889 28.363 -0.474 1 1 369 . 8 1 1 A 33 33 GLN N N 33 120.920 121.784 -0.864 1 1 371 . 8 1 1 A 34 34 GLN H H 34 8.671 8.249 0.422 1 1 372 . 8 1 1 A 34 34 GLN HA H 34 3.615 4.013 -0.398 1 1 379 . 8 1 1 A 34 34 GLN CA C 34 60.424 58.834 1.590 1 1 380 . 8 1 1 A 34 34 GLN CB C 34 30.058 28.599 1.459 1 1 382 . 8 1 1 A 34 34 GLN N N 34 120.388 118.822 1.566 1 1 384 . 8 1 1 A 35 35 ASN H H 35 8.636 7.941 0.695 1 1 385 . 8 1 1 A 35 35 ASN HA H 35 4.595 4.387 0.208 1 1 390 . 8 1 1 A 35 35 ASN CA C 35 55.363 56.222 -0.859 1 1 391 . 8 1 1 A 35 35 ASN CB C 35 36.904 37.713 -0.809 1 1 392 . 8 1 1 A 35 35 ASN N N 35 116.477 117.609 -1.132 1 1 394 . 8 1 1 A 36 36 ARG H H 36 8.321 7.620 0.701 1 1 395 . 8 1 1 A 36 36 ARG HA H 36 4.142 4.059 0.083 1 1 402 . 8 1 1 A 36 36 ARG CA C 36 58.582 59.079 -0.497 1 1 403 . 8 1 1 A 36 36 ARG CB C 36 29.712 30.047 -0.335 1 1 406 . 8 1 1 A 36 36 ARG N N 36 121.347 120.161 1.186 1 1 407 . 8 1 1 A 37 37 LEU H H 37 8.251 8.112 0.139 1 1 408 . 8 1 1 A 37 37 LEU HA H 37 3.788 3.682 0.106 1 1 418 . 8 1 1 A 37 37 LEU CA C 37 57.094 57.834 -0.740 1 1 419 . 8 1 1 A 37 37 LEU CB C 37 40.554 40.845 -0.291 1 1 423 . 8 1 1 A 37 37 LEU N N 37 120.862 119.956 0.906 1 1 424 . 8 1 1 A 38 38 ASN H H 38 8.047 8.491 -0.444 1 1 425 . 8 1 1 A 38 38 ASN HA H 38 5.134 4.729 0.405 1 1 430 . 8 1 1 A 38 38 ASN CA C 38 54.413 56.513 -2.100 1 1 431 . 8 1 1 A 38 38 ASN CB C 38 38.069 39.077 -1.008 1 1 432 . 8 1 1 A 38 38 ASN N N 38 115.574 117.144 -1.570 1 1 434 . 8 1 1 A 39 39 ALA H H 39 7.878 8.337 -0.459 1 1 435 . 8 1 1 A 39 39 ALA HA H 39 4.342 4.073 0.269 1 1 439 . 8 1 1 A 39 39 ALA CA C 39 53.981 55.027 -1.046 1 1 440 . 8 1 1 A 39 39 ALA CB C 39 18.340 18.300 0.040 1 1 441 . 8 1 1 A 39 39 ALA N N 39 123.076 121.323 1.753 1 1 442 . 8 1 1 A 40 40 LYS H H 40 7.431 7.563 -0.132 1 1 443 . 8 1 1 A 40 40 LYS HA H 40 4.528 4.306 0.222 1 1 452 . 8 1 1 A 40 40 LYS CA C 40 55.285 58.143 -2.858 1 1 453 . 8 1 1 A 40 40 LYS CB C 40 32.852 32.959 -0.107 1 1 457 . 8 1 1 A 40 40 LYS N N 40 114.889 116.014 -1.125 1 1 458 . 8 1 1 A 41 41 SER H H 41 7.671 7.395 0.276 1 1 459 . 8 1 1 A 41 41 SER HA H 41 4.615 4.469 0.146 1 1 462 . 8 1 1 A 41 41 SER CA C 41 58.189 58.596 -0.407 1 1 463 . 8 1 1 A 41 41 SER CB C 41 63.924 64.043 -0.119 1 1 464 . 8 1 1 A 41 41 SER N N 41 114.795 115.759 -0.964 1 1 465 . 8 1 1 A 42 42 SER H H 42 8.927 8.914 0.013 1 1 466 . 8 1 1 A 42 42 SER HA H 42 4.792 4.731 0.061 1 1 469 . 8 1 1 A 42 42 SER CA C 42 58.133 58.625 -0.492 1 1 470 . 8 1 1 A 42 42 SER CB C 42 63.712 64.130 -0.418 1 1 471 . 8 1 1 A 42 42 SER N N 42 120.934 123.015 -2.081 1 1 472 . 8 1 1 A 43 43 SER H H 43 8.320 7.874 0.446 1 1 473 . 8 1 1 A 43 43 SER HA H 43 4.654 4.740 -0.086 1 1 476 . 8 1 1 A 43 43 SER CA C 43 57.309 56.970 0.339 1 1 477 . 8 1 1 A 43 43 SER CB C 43 63.151 63.703 -0.552 1 1 478 . 8 1 1 A 43 43 SER N N 43 115.966 115.352 0.614 1 1 479 . 8 1 1 A 44 44 GLY H H 44 8.182 8.248 -0.066 1 1 480 . 8 1 1 A 44 44 GLY HA2 H 44 4.206 4.070 0.136 1 1 481 . 8 1 1 A 44 44 GLY HA3 H 44 4.399 4.084 0.315 1 1 482 . 8 1 1 A 44 44 GLY CA C 44 44.540 43.858 0.682 1 1 483 . 8 1 1 A 44 44 GLY N N 44 110.764 115.912 -5.148 1 1 484 . 8 1 1 A 45 45 VAL H H 45 8.341 7.990 0.351 1 1 485 . 8 1 1 A 45 45 VAL HA H 45 4.845 5.601 -0.756 1 1 493 . 8 1 1 A 45 45 VAL CA C 45 58.981 59.357 -0.376 1 1 494 . 8 1 1 A 45 45 VAL CB C 45 35.239 35.725 -0.486 1 1 497 . 8 1 1 A 45 45 VAL N N 45 114.116 115.559 -1.443 1 1 498 . 8 1 1 A 46 46 TYR H H 46 10.501 8.736 1.765 1 1 499 . 8 1 1 A 46 46 TYR HA H 46 5.004 5.270 -0.266 1 1 506 . 8 1 1 A 46 46 TYR CA C 46 58.121 57.111 1.010 1 1 507 . 8 1 1 A 46 46 TYR CB C 46 41.382 39.657 1.725 1 1 510 . 8 1 1 A 46 46 TYR N N 46 123.384 122.898 0.486 1 1 511 . 8 1 1 A 47 47 LEU H H 47 9.364 9.462 -0.098 1 1 512 . 8 1 1 A 47 47 LEU HA H 47 4.695 5.009 -0.314 1 1 522 . 8 1 1 A 47 47 LEU CA C 47 52.769 53.778 -1.009 1 1 523 . 8 1 1 A 47 47 LEU CB C 47 44.689 42.485 2.204 1 1 527 . 8 1 1 A 47 47 LEU N N 47 118.822 125.698 -6.876 1 1 528 . 8 1 1 A 48 48 LEU H H 48 9.128 8.830 0.298 1 1 529 . 8 1 1 A 48 48 LEU HA H 48 5.232 4.687 0.545 1 1 539 . 8 1 1 A 48 48 LEU CA C 48 51.100 52.695 -1.595 1 1 540 . 8 1 1 A 48 48 LEU CB C 48 40.141 41.585 -1.444 1 1 544 . 8 1 1 A 48 48 LEU N N 48 123.384 126.282 -2.898 1 1 545 . 8 1 1 A 49 49 PRO HA H 49 4.090 4.291 -0.201 1 1 552 . 8 1 1 A 49 49 PRO CA C 49 64.912 64.975 -0.063 1 1 553 . 8 1 1 A 49 49 PRO CB C 49 31.607 31.871 -0.264 1 1 556 . 8 1 1 A 50 50 GLY H H 50 9.181 8.497 0.684 1 1 557 . 8 1 1 A 50 50 GLY HA2 H 50 3.933 3.968 -0.035 1 1 558 . 8 1 1 A 50 50 GLY HA3 H 50 4.757 3.970 0.787 1 1 559 . 8 1 1 A 50 50 GLY CA C 50 45.499 45.067 0.432 1 1 560 . 8 1 1 A 50 50 GLY N N 50 106.827 107.130 -0.303 1 1 561 . 8 1 1 A 51 51 ALA H H 51 7.857 7.855 0.002 1 1 562 . 8 1 1 A 51 51 ALA HA H 51 4.264 4.572 -0.308 1 1 566 . 8 1 1 A 51 51 ALA CA C 51 53.156 50.632 2.524 1 1 567 . 8 1 1 A 51 51 ALA CB C 51 18.492 19.271 -0.779 1 1 568 . 8 1 1 A 51 51 ALA N N 51 120.192 122.055 -1.863 1 1 569 . 8 1 1 A 52 52 LYS H H 52 7.787 8.633 -0.846 1 1 570 . 8 1 1 A 52 52 LYS HA H 52 4.094 4.434 -0.340 1 1 579 . 8 1 1 A 52 52 LYS CA C 52 56.979 56.126 0.853 1 1 580 . 8 1 1 A 52 52 LYS CB C 52 30.731 31.171 -0.440 1 1 584 . 8 1 1 A 52 52 LYS N N 52 115.260 123.399 -8.139 1 1 585 . 8 1 1 A 53 53 THR H H 53 8.043 8.306 -0.263 1 1 586 . 8 1 1 A 53 53 THR HA H 53 4.924 5.098 -0.174 1 1 591 . 8 1 1 A 53 53 THR CA C 53 59.565 58.543 1.022 1 1 592 . 8 1 1 A 53 53 THR CB C 53 72.729 70.481 2.248 1 1 594 . 8 1 1 A 53 53 THR N N 53 114.085 113.530 0.555 1 1 595 . 8 1 1 A 54 54 PRO HA H 54 4.860 4.921 -0.061 1 1 602 . 8 1 1 A 54 54 PRO CA C 54 62.176 62.100 0.076 1 1 603 . 8 1 1 A 54 54 PRO CB C 54 32.820 32.035 0.785 1 1 606 . 8 1 1 A 55 55 ALA H H 55 8.834 8.798 0.036 1 1 607 . 8 1 1 A 55 55 ALA HA H 55 4.824 4.965 -0.141 1 1 611 . 8 1 1 A 55 55 ALA CA C 55 50.500 50.662 -0.162 1 1 612 . 8 1 1 A 55 55 ALA CB C 55 22.858 20.995 1.863 1 1 613 . 8 1 1 A 55 55 ALA N N 55 122.227 125.350 -3.123 1 1 614 . 8 1 1 A 56 56 ARG H H 56 8.445 8.796 -0.351 1 1 615 . 8 1 1 A 56 56 ARG HA H 56 5.262 4.897 0.365 1 1 623 . 8 1 1 A 56 56 ARG CA C 56 54.401 55.530 -1.129 1 1 624 . 8 1 1 A 56 56 ARG CB C 56 32.849 31.418 1.431 1 1 627 . 8 1 1 A 56 56 ARG N N 56 121.194 123.659 -2.465 1 1 629 . 8 1 1 A 57 57 LEU H H 57 9.159 9.096 0.063 1 1 630 . 8 1 1 A 57 57 LEU HA H 57 4.672 4.916 -0.244 1 1 640 . 8 1 1 A 57 57 LEU CA C 57 53.028 54.112 -1.084 1 1 641 . 8 1 1 A 57 57 LEU CB C 57 46.231 45.746 0.485 1 1 645 . 8 1 1 A 57 57 LEU N N 57 125.694 127.317 -1.623 1 1 646 . 8 1 1 A 58 58 GLU H H 58 8.890 8.917 -0.027 1 1 647 . 8 1 1 A 58 58 GLU HA H 58 4.535 4.756 -0.221 1 1 652 . 8 1 1 A 58 58 GLU CA C 58 55.733 55.832 -0.099 1 1 653 . 8 1 1 A 58 58 GLU CB C 58 27.970 30.508 -2.538 1 1 655 . 8 1 1 A 58 58 GLU N N 58 127.677 128.783 -1.106 1 1 656 . 8 1 1 A 59 59 SER H H 59 7.772 8.753 -0.981 1 1 657 . 8 1 1 A 59 59 SER HA H 59 4.970 4.942 0.028 1 1 661 . 8 1 1 A 59 59 SER CA C 59 57.576 56.130 1.446 1 1 662 . 8 1 1 A 59 59 SER CB C 59 69.174 65.479 3.695 1 1 663 . 8 1 1 A 59 59 SER N N 59 121.860 120.874 0.986 1 1 664 . 8 1 1 A 60 60 GLN H H 60 9.336 8.135 1.201 1 1 665 . 8 1 1 A 60 60 GLN HA H 60 4.262 4.062 0.200 1 1 672 . 8 1 1 A 60 60 GLN CA C 60 57.792 58.386 -0.594 1 1 673 . 8 1 1 A 60 60 GLN CB C 60 29.669 28.485 1.184 1 1 675 . 8 1 1 A 60 60 GLN N N 60 119.522 117.642 1.880 1 1 677 . 8 1 1 A 61 61 ILE H H 61 8.007 7.697 0.310 1 1 678 . 8 1 1 A 61 61 ILE HA H 61 4.623 4.221 0.402 1 1 688 . 8 1 1 A 61 61 ILE CA C 61 59.813 61.610 -1.797 1 1 689 . 8 1 1 A 61 61 ILE CB C 61 37.013 38.663 -1.650 1 1 693 . 8 1 1 A 61 61 ILE N N 61 109.398 111.980 -2.582 1 1 694 . 8 1 1 A 62 62 GLY H H 62 7.223 6.983 0.240 1 1 695 . 8 1 1 A 62 62 GLY HA2 H 62 4.493 4.016 0.477 1 1 696 . 8 1 1 A 62 62 GLY HA3 H 62 3.872 4.027 -0.155 1 1 697 . 8 1 1 A 62 62 GLY CA C 62 43.022 45.107 -2.085 1 1 698 . 8 1 1 A 62 62 GLY N N 62 109.035 109.279 -0.244 1 1 699 . 8 1 1 A 63 63 THR H H 63 8.910 8.535 0.375 1 1 700 . 8 1 1 A 63 63 THR HA H 63 4.599 4.537 0.062 1 1 705 . 8 1 1 A 63 63 THR CA C 63 64.037 63.348 0.689 1 1 706 . 8 1 1 A 63 63 THR CB C 63 68.111 69.238 -1.127 1 1 708 . 8 1 1 A 63 63 THR N N 63 119.711 116.863 2.848 1 1 709 . 8 1 1 A 64 64 LEU H H 64 9.070 9.124 -0.054 1 1 710 . 8 1 1 A 64 64 LEU HA H 64 5.120 5.365 -0.245 1 1 720 . 8 1 1 A 64 64 LEU CA C 64 52.680 52.519 0.161 1 1 721 . 8 1 1 A 64 64 LEU CB C 64 44.749 45.840 -1.091 1 1 725 . 8 1 1 A 64 64 LEU N N 64 127.640 123.521 4.119 1 1 726 . 8 1 1 A 65 65 ARG H H 65 9.271 8.890 0.381 1 1 727 . 8 1 1 A 65 65 ARG HA H 65 4.989 5.430 -0.441 1 1 735 . 8 1 1 A 65 65 ARG CA C 65 54.814 54.565 0.249 1 1 736 . 8 1 1 A 65 65 ARG CB C 65 31.836 33.443 -1.607 1 1 739 . 8 1 1 A 65 65 ARG N N 65 122.680 119.366 3.314 1 1 741 . 8 1 1 A 66 66 MET H H 66 9.310 9.219 0.091 1 1 742 . 8 1 1 A 66 66 MET HA H 66 5.822 5.974 -0.152 1 1 747 . 8 1 1 A 66 66 MET CA C 66 53.936 53.794 0.142 1 1 748 . 8 1 1 A 66 66 MET CB C 66 35.912 35.112 0.800 1 1 750 . 8 1 1 A 66 66 MET N N 66 125.309 126.454 -1.145 1 1 751 . 8 1 1 A 67 67 SER H H 67 8.943 8.539 0.404 1 1 752 . 8 1 1 A 67 67 SER HA H 67 4.660 4.918 -0.258 1 1 755 . 8 1 1 A 67 67 SER CA C 67 57.460 56.857 0.603 1 1 756 . 8 1 1 A 67 67 SER CB C 67 65.747 64.851 0.896 1 1 757 . 8 1 1 A 67 67 SER N N 67 112.115 116.841 -4.726 1 1 758 . 8 1 1 A 68 68 LEU H H 68 8.410 8.855 -0.445 1 1 759 . 8 1 1 A 68 68 LEU HA H 68 5.115 5.056 0.059 1 1 769 . 8 1 1 A 68 68 LEU CA C 68 52.837 53.426 -0.589 1 1 770 . 8 1 1 A 68 68 LEU CB C 68 42.269 42.806 -0.537 1 1 774 . 8 1 1 A 68 68 LEU N N 68 118.367 124.127 -5.760 1 1 775 . 8 1 1 A 69 69 VAL H H 69 9.060 8.420 0.640 1 1 776 . 8 1 1 A 69 69 VAL HA H 69 4.440 4.598 -0.158 1 1 784 . 8 1 1 A 69 69 VAL CA C 69 59.852 59.562 0.290 1 1 785 . 8 1 1 A 69 69 VAL CB C 69 35.349 35.205 0.144 1 1 788 . 8 1 1 A 69 69 VAL N N 69 119.888 118.719 1.169 1 1 789 . 8 1 1 A 70 70 ASN H H 70 8.651 8.770 -0.119 1 1 790 . 8 1 1 A 70 70 ASN HA H 70 4.345 4.206 0.139 1 1 795 . 8 1 1 A 70 70 ASN CA C 70 53.555 54.002 -0.447 1 1 796 . 8 1 1 A 70 70 ASN CB C 70 36.932 36.914 0.018 1 1 797 . 8 1 1 A 70 70 ASN N N 70 119.166 117.888 1.278 1 1 799 . 8 1 1 A 71 71 ILE H H 71 8.449 8.049 0.400 1 1 800 . 8 1 1 A 71 71 ILE HA H 71 4.235 4.003 0.232 1 1 810 . 8 1 1 A 71 71 ILE CA C 71 63.104 62.412 0.692 1 1 811 . 8 1 1 A 71 71 ILE CB C 71 37.200 37.126 0.074 1 1 815 . 8 1 1 A 71 71 ILE N N 71 121.388 119.541 1.847 1 1 816 . 8 1 1 A 72 72 THR H H 72 9.511 8.777 0.734 1 1 817 . 8 1 1 A 72 72 THR HA H 72 4.967 5.045 -0.078 1 1 822 . 8 1 1 A 72 72 THR CA C 72 59.584 58.200 1.384 1 1 823 . 8 1 1 A 72 72 THR CB C 72 71.930 70.249 1.681 1 1 825 . 8 1 1 A 72 72 THR N N 72 125.726 117.519 8.207 1 1 826 . 8 1 1 A 73 73 PRO HA H 73 4.822 4.731 0.091 1 1 833 . 8 1 1 A 73 73 PRO CA C 73 63.362 62.574 0.788 1 1 834 . 8 1 1 A 73 73 PRO CB C 73 32.451 32.246 0.205 1 1 837 . 8 1 1 A 74 74 ASP H H 74 8.404 8.775 -0.371 1 1 838 . 8 1 1 A 74 74 ASP HA H 74 4.824 4.899 -0.075 1 1 841 . 8 1 1 A 74 74 ASP CA C 74 52.609 53.275 -0.666 1 1 842 . 8 1 1 A 74 74 ASP CB C 74 43.743 42.390 1.353 1 1 843 . 8 1 1 A 74 74 ASP N N 74 122.325 122.163 0.162 1 1 844 . 8 1 1 A 75 75 ALA H H 75 8.539 8.795 -0.256 1 1 845 . 8 1 1 A 75 75 ALA HA H 75 4.062 3.981 0.081 1 1 849 . 8 1 1 A 75 75 ALA CA C 75 54.431 55.042 -0.611 1 1 850 . 8 1 1 A 75 75 ALA CB C 75 18.117 18.377 -0.260 1 1 851 . 8 1 1 A 75 75 ALA N N 75 123.501 126.607 -3.106 1 1 852 . 8 1 1 A 76 76 ASP H H 76 8.356 8.352 0.004 1 1 853 . 8 1 1 A 76 76 ASP HA H 76 4.815 4.834 -0.019 1 1 856 . 8 1 1 A 76 76 ASP CA C 76 53.161 54.177 -1.016 1 1 857 . 8 1 1 A 76 76 ASP CB C 76 41.234 42.423 -1.189 1 1 858 . 8 1 1 A 76 76 ASP N N 76 115.326 113.634 1.692 1 1 859 . 8 1 1 A 77 77 GLY H H 77 7.569 7.526 0.043 1 1 860 . 8 1 1 A 77 77 GLY HA2 H 77 3.925 4.111 -0.186 1 1 861 . 8 1 1 A 77 77 GLY HA3 H 77 4.508 4.122 0.386 1 1 862 . 8 1 1 A 77 77 GLY CA C 77 46.675 46.235 0.440 1 1 863 . 8 1 1 A 77 77 GLY N N 77 109.452 105.177 4.275 1 1 864 . 8 1 1 A 78 78 THR H H 78 8.272 8.571 -0.299 1 1 865 . 8 1 1 A 78 78 THR HA H 78 4.655 4.945 -0.290 1 1 870 . 8 1 1 A 78 78 THR CA C 78 63.204 61.213 1.991 1 1 871 . 8 1 1 A 78 78 THR CB C 78 72.222 71.715 0.507 1 1 873 . 8 1 1 A 78 78 THR N N 78 122.442 116.031 6.411 1 1 874 . 8 1 1 A 79 79 THR H H 79 9.027 9.142 -0.115 1 1 875 . 8 1 1 A 79 79 THR HA H 79 5.164 5.717 -0.553 1 1 880 . 8 1 1 A 79 79 THR CA C 79 60.303 60.550 -0.247 1 1 881 . 8 1 1 A 79 79 THR CB C 79 70.442 70.237 0.205 1 1 883 . 8 1 1 A 79 79 THR N N 79 121.451 119.082 2.369 1 1 884 . 8 1 1 A 80 80 LEU H H 80 8.698 8.923 -0.225 1 1 885 . 8 1 1 A 80 80 LEU HA H 80 4.835 5.160 -0.325 1 1 895 . 8 1 1 A 80 80 LEU CA C 80 54.194 52.881 1.313 1 1 896 . 8 1 1 A 80 80 LEU CB C 80 44.576 45.753 -1.177 1 1 900 . 8 1 1 A 80 80 LEU N N 80 119.374 124.430 -5.056 1 1 901 . 8 1 1 A 81 81 THR H H 81 8.675 8.858 -0.183 1 1 902 . 8 1 1 A 81 81 THR HA H 81 4.740 4.867 -0.127 1 1 907 . 8 1 1 A 81 81 THR CA C 81 61.838 62.323 -0.485 1 1 908 . 8 1 1 A 81 81 THR CB C 81 70.190 69.225 0.965 1 1 910 . 8 1 1 A 81 81 THR N N 81 116.982 117.635 -0.653 1 1 911 . 8 1 1 A 82 82 LEU H H 82 8.898 9.119 -0.221 1 1 912 . 8 1 1 A 82 82 LEU HA H 82 4.748 4.874 -0.126 1 1 922 . 8 1 1 A 82 82 LEU CA C 82 53.076 54.145 -1.069 1 1 923 . 8 1 1 A 82 82 LEU CB C 82 43.189 43.424 -0.235 1 1 927 . 8 1 1 A 82 82 LEU N N 82 130.905 129.729 1.176 1 1 928 . 8 1 1 A 83 83 ARG H H 83 9.162 8.710 0.452 1 1 929 . 8 1 1 A 83 83 ARG HA H 83 5.174 4.953 0.221 1 1 936 . 8 1 1 A 83 83 ARG CA C 83 54.441 55.773 -1.332 1 1 937 . 8 1 1 A 83 83 ARG CB C 83 31.332 31.447 -0.115 1 1 940 . 8 1 1 A 83 83 ARG N N 83 131.064 126.644 4.420 1 1 941 . 8 1 1 A 84 84 ILE H H 84 9.474 9.477 -0.003 1 1 942 . 8 1 1 A 84 84 ILE HA H 84 4.611 4.575 0.036 1 1 952 . 8 1 1 A 84 84 ILE CA C 84 60.486 60.562 -0.076 1 1 953 . 8 1 1 A 84 84 ILE CB C 84 40.120 37.580 2.540 1 1 957 . 8 1 1 A 84 84 ILE N N 84 128.394 125.673 2.721 1 1 958 . 8 1 1 A 85 85 GLN H H 85 9.137 9.218 -0.081 1 1 959 . 8 1 1 A 85 85 GLN HA H 85 5.457 4.751 0.706 1 1 966 . 8 1 1 A 85 85 GLN CA C 85 53.109 55.109 -2.000 1 1 967 . 8 1 1 A 85 85 GLN CB C 85 32.450 30.039 2.411 1 1 969 . 8 1 1 A 85 85 GLN N N 85 124.857 128.451 -3.594 1 1 971 . 8 1 1 A 86 86 GLY H H 86 9.090 8.443 0.647 1 1 972 . 8 1 1 A 86 86 GLY HA2 H 86 3.813 3.998 -0.185 1 1 973 . 8 1 1 A 86 86 GLY HA3 H 86 4.499 4.012 0.487 1 1 974 . 8 1 1 A 86 86 GLY CA C 86 44.877 45.447 -0.570 1 1 975 . 8 1 1 A 86 86 GLY N N 86 110.702 113.549 -2.847 1 1 976 . 8 1 1 A 87 87 GLU H H 87 8.128 8.894 -0.766 1 1 977 . 8 1 1 A 87 87 GLU HA H 87 4.472 4.202 0.270 1 1 982 . 8 1 1 A 87 87 GLU CA C 87 56.057 58.845 -2.788 1 1 983 . 8 1 1 A 87 87 GLU CB C 87 29.943 29.641 0.302 1 1 985 . 8 1 1 A 87 87 GLU N N 87 120.445 124.009 -3.564 1 1 986 . 8 1 1 A 88 88 SER H H 88 8.063 7.830 0.233 1 1 987 . 8 1 1 A 88 88 SER HA H 88 4.469 4.509 -0.040 1 1 990 . 8 1 1 A 88 88 SER CA C 88 57.472 59.507 -2.035 1 1 991 . 8 1 1 A 88 88 SER CB C 88 63.799 62.886 0.913 1 1 992 . 8 1 1 A 88 88 SER N N 88 113.821 114.588 -0.767 1 1 993 . 8 1 1 A 89 89 ASN H H 89 8.502 8.844 -0.342 1 1 994 . 8 1 1 A 89 89 ASN HA H 89 4.533 4.624 -0.091 1 1 999 . 8 1 1 A 89 89 ASN CA C 89 53.715 53.911 -0.196 1 1 1000 . 8 1 1 A 89 89 ASN CB C 89 38.212 37.602 0.610 1 1 1001 . 8 1 1 A 89 89 ASN N N 89 119.482 123.851 -4.369 1 1 1003 . 8 1 1 A 90 90 ASP H H 90 8.104 7.631 0.473 1 1 1004 . 8 1 1 A 90 90 ASP HA H 90 5.061 4.834 0.227 1 1 1007 . 8 1 1 A 90 90 ASP CA C 90 51.392 52.612 -1.220 1 1 1008 . 8 1 1 A 90 90 ASP CB C 90 41.223 40.472 0.751 1 1 1009 . 8 1 1 A 90 90 ASP N N 90 119.891 118.292 1.599 1 1 1010 . 8 1 1 A 91 91 PRO HA H 91 4.156 4.724 -0.568 1 1 1017 . 8 1 1 A 91 91 PRO CA C 91 62.200 63.232 -1.032 1 1 1018 . 8 1 1 A 91 91 PRO CB C 91 30.844 31.879 -1.035 1 1 1021 . 8 1 1 A 92 92 LEU H H 92 8.206 8.312 -0.106 1 1 1022 . 8 1 1 A 92 92 LEU HA H 92 4.504 4.732 -0.228 1 1 1032 . 8 1 1 A 92 92 LEU CA C 92 52.697 52.709 -0.012 1 1 1033 . 8 1 1 A 92 92 LEU CB C 92 41.249 41.405 -0.156 1 1 1037 . 8 1 1 A 92 92 LEU N N 92 123.954 124.015 -0.061 1 1 1038 . 8 1 1 A 93 93 PRO HA H 93 4.808 4.619 0.189 1 1 1045 . 8 1 1 A 93 93 PRO CA C 93 61.122 62.348 -1.226 1 1 1046 . 8 1 1 A 93 93 PRO CB C 93 32.289 32.475 -0.186 1 1 1049 . 8 1 1 A 94 94 ALA H H 94 8.420 8.409 0.011 1 1 1050 . 8 1 1 A 94 94 ALA HA H 94 4.164 4.426 -0.262 1 1 1054 . 8 1 1 A 94 94 ALA CA C 94 52.655 52.706 -0.051 1 1 1055 . 8 1 1 A 94 94 ALA CB C 94 18.563 19.768 -1.205 1 1 1056 . 8 1 1 A 94 94 ALA N N 94 120.368 123.357 -2.989 1 1 1057 . 8 1 1 A 95 95 PHE H H 95 7.961 7.917 0.044 1 1 1058 . 8 1 1 A 95 95 PHE HA H 95 5.489 5.488 0.001 1 1 1066 . 8 1 1 A 95 95 PHE CA C 95 56.213 55.506 0.707 1 1 1067 . 8 1 1 A 95 95 PHE CB C 95 41.552 42.653 -1.101 1 1 1071 . 8 1 1 A 95 95 PHE N N 95 115.209 116.795 -1.586 1 1 1072 . 8 1 1 A 96 96 SER H H 96 9.231 9.383 -0.152 1 1 1073 . 8 1 1 A 96 96 SER HA H 96 5.427 5.461 -0.034 1 1 1076 . 8 1 1 A 96 96 SER CA C 96 55.549 56.779 -1.230 1 1 1077 . 8 1 1 A 96 96 SER CB C 96 66.681 66.010 0.671 1 1 1078 . 8 1 1 A 96 96 SER N N 96 114.106 114.531 -0.425 1 1 1079 . 8 1 1 A 97 97 GLY H H 97 8.269 8.449 -0.180 1 1 1080 . 8 1 1 A 97 97 GLY HA2 H 97 4.612 4.344 0.268 1 1 1081 . 8 1 1 A 97 97 GLY HA3 H 97 3.571 4.378 -0.807 1 1 1082 . 8 1 1 A 97 97 GLY CA C 97 45.139 45.164 -0.025 1 1 1083 . 8 1 1 A 97 97 GLY N N 97 104.730 109.330 -4.600 1 1 1084 . 8 1 1 A 98 98 THR H H 98 8.068 8.426 -0.358 1 1 1085 . 8 1 1 A 98 98 THR HA H 98 4.836 5.036 -0.200 1 1 1090 . 8 1 1 A 98 98 THR CA C 98 62.462 61.754 0.708 1 1 1091 . 8 1 1 A 98 98 THR CB C 98 70.240 70.221 0.019 1 1 1093 . 8 1 1 A 98 98 THR N N 98 115.596 115.301 0.295 1 1 1094 . 8 1 1 A 99 99 VAL H H 99 9.016 9.290 -0.274 1 1 1095 . 8 1 1 A 99 99 VAL HA H 99 5.040 5.222 -0.182 1 1 1103 . 8 1 1 A 99 99 VAL CA C 99 59.695 59.393 0.302 1 1 1104 . 8 1 1 A 99 99 VAL CB C 99 33.810 34.325 -0.515 1 1 1107 . 8 1 1 A 99 99 VAL N N 99 124.571 127.350 -2.779 1 1 1108 . 8 1 1 A 100 100 GLU H H 100 9.595 9.479 0.116 1 1 1109 . 8 1 1 A 100 100 GLU HA H 100 5.463 4.751 0.712 1 1 1114 . 8 1 1 A 100 100 GLU CA C 100 53.132 55.827 -2.695 1 1 1115 . 8 1 1 A 100 100 GLU CB C 100 31.806 30.293 1.513 1 1 1117 . 8 1 1 A 100 100 GLU N N 100 125.607 127.778 -2.171 1 1 1118 . 8 1 1 A 101 101 TYR H H 101 8.576 8.872 -0.296 1 1 1119 . 8 1 1 A 101 101 TYR HA H 101 4.568 5.719 -1.151 1 1 1126 . 8 1 1 A 101 101 TYR CA C 101 54.809 55.173 -0.364 1 1 1127 . 8 1 1 A 101 101 TYR CB C 101 39.516 40.822 -1.306 1 1 1130 . 8 1 1 A 101 101 TYR N N 101 117.224 122.592 -5.368 1 1 1131 . 8 1 1 A 102 102 GLY H H 102 6.489 7.628 -1.139 1 1 1132 . 8 1 1 A 102 102 GLY HA2 H 102 3.948 4.232 -0.284 1 1 1133 . 8 1 1 A 102 102 GLY HA3 H 102 4.190 4.249 -0.059 1 1 1134 . 8 1 1 A 102 102 GLY CA C 102 46.509 45.892 0.617 1 1 1135 . 8 1 1 A 102 102 GLY N N 102 103.890 107.700 -3.810 1 1 1136 . 8 1 1 A 103 103 GLN H H 103 8.789 8.923 -0.134 1 1 1137 . 8 1 1 A 103 103 GLN HA H 103 4.893 5.316 -0.423 1 1 1144 . 8 1 1 A 103 103 GLN CA C 103 54.742 54.225 0.517 1 1 1145 . 8 1 1 A 103 103 GLN CB C 103 31.972 32.497 -0.525 1 1 1147 . 8 1 1 A 103 103 GLN N N 103 121.055 120.705 0.350 1 1 1149 . 8 1 1 A 104 104 ILE H H 104 8.877 8.901 -0.024 1 1 1150 . 8 1 1 A 104 104 ILE HA H 104 5.033 4.902 0.131 1 1 1160 . 8 1 1 A 104 104 ILE CA C 104 59.495 60.514 -1.019 1 1 1161 . 8 1 1 A 104 104 ILE CB C 104 40.485 40.701 -0.216 1 1 1165 . 8 1 1 A 104 104 ILE N N 104 119.483 120.962 -1.479 1 1 1166 . 8 1 1 A 105 105 GLN H H 105 8.807 8.799 0.008 1 1 1167 . 8 1 1 A 105 105 GLN HA H 105 4.785 4.990 -0.205 1 1 1174 . 8 1 1 A 105 105 GLN CA C 105 53.586 55.166 -1.580 1 1 1175 . 8 1 1 A 105 105 GLN CB C 105 32.029 29.397 2.632 1 1 1177 . 8 1 1 A 105 105 GLN N N 105 126.014 126.595 -0.581 1 1 1179 . 8 1 1 A 106 106 GLY H H 106 8.680 8.256 0.424 1 1 1180 . 8 1 1 A 106 106 GLY HA2 H 106 4.878 4.277 0.601 1 1 1181 . 8 1 1 A 106 106 GLY HA3 H 106 3.898 4.330 -0.432 1 1 1182 . 8 1 1 A 106 106 GLY CA C 106 43.994 45.744 -1.750 1 1 1183 . 8 1 1 A 106 106 GLY N N 106 111.899 109.448 2.451 1 1 1184 . 8 1 1 A 107 107 THR H H 107 7.984 8.800 -0.816 1 1 1185 . 8 1 1 A 107 107 THR HA H 107 4.571 4.974 -0.403 1 1 1190 . 8 1 1 A 107 107 THR CA C 107 59.611 59.949 -0.338 1 1 1191 . 8 1 1 A 107 107 THR CB C 107 71.146 71.969 -0.823 1 1 1193 . 8 1 1 A 107 107 THR N N 107 111.498 112.662 -1.164 1 1 1194 . 8 1 1 A 108 108 ILE H H 108 8.345 8.925 -0.580 1 1 1195 . 8 1 1 A 108 108 ILE HA H 108 3.775 3.623 0.152 1 1 1205 . 8 1 1 A 108 108 ILE CA C 108 62.916 64.333 -1.417 1 1 1206 . 8 1 1 A 108 108 ILE CB C 108 37.737 37.129 0.608 1 1 1210 . 8 1 1 A 108 108 ILE N N 108 117.576 121.923 -4.347 1 1 1211 . 8 1 1 A 109 109 ASP H H 109 7.753 7.434 0.319 1 1 1212 . 8 1 1 A 109 109 ASP HA H 109 4.564 4.542 0.022 1 1 1215 . 8 1 1 A 109 109 ASP CA C 109 54.540 56.513 -1.973 1 1 1216 . 8 1 1 A 109 109 ASP CB C 109 41.360 41.846 -0.486 1 1 1217 . 8 1 1 A 109 109 ASP N N 109 116.045 120.940 -4.895 1 1 1218 . 8 1 1 A 110 110 ASN H H 110 7.719 8.112 -0.393 1 1 1219 . 8 1 1 A 110 110 ASN HA H 110 4.723 5.105 -0.382 1 1 1224 . 8 1 1 A 110 110 ASN CA C 110 53.036 51.921 1.115 1 1 1225 . 8 1 1 A 110 110 ASN CB C 110 38.443 40.207 -1.764 1 1 1226 . 8 1 1 A 110 110 ASN N N 110 119.075 113.658 5.417 1 1 1228 . 8 1 1 A 111 111 PHE H H 111 7.977 8.582 -0.605 1 1 1229 . 8 1 1 A 111 111 PHE HA H 111 5.249 5.436 -0.187 1 1 1237 . 8 1 1 A 111 111 PHE CA C 111 56.627 55.489 1.138 1 1 1238 . 8 1 1 A 111 111 PHE CB C 111 40.215 42.715 -2.500 1 1 1242 . 8 1 1 A 111 111 PHE N N 111 122.138 118.820 3.318 1 1 1243 . 8 1 1 A 112 112 GLN H H 112 8.715 8.589 0.126 1 1 1244 . 8 1 1 A 112 112 GLN HA H 112 4.540 4.934 -0.394 1 1 1251 . 8 1 1 A 112 112 GLN CA C 112 54.035 54.445 -0.410 1 1 1252 . 8 1 1 A 112 112 GLN CB C 112 31.861 32.550 -0.689 1 1 1254 . 8 1 1 A 112 112 GLN N N 112 119.575 118.571 1.004 1 1 1256 . 8 1 1 A 113 113 GLU H H 113 8.546 8.726 -0.180 1 1 1257 . 8 1 1 A 113 113 GLU HA H 113 4.780 4.818 -0.038 1 1 1262 . 8 1 1 A 113 113 GLU CA C 113 55.412 56.491 -1.079 1 1 1263 . 8 1 1 A 113 113 GLU CB C 113 29.886 30.494 -0.608 1 1 1265 . 8 1 1 A 113 113 GLU N N 113 122.846 122.609 0.237 1 1 1266 . 8 1 1 A 114 114 ILE H H 114 8.913 8.648 0.265 1 1 1267 . 8 1 1 A 114 114 ILE HA H 114 4.662 4.675 -0.013 1 1 1277 . 8 1 1 A 114 114 ILE CA C 114 59.144 59.053 0.091 1 1 1278 . 8 1 1 A 114 114 ILE CB C 114 41.873 41.380 0.493 1 1 1282 . 8 1 1 A 114 114 ILE N N 114 120.222 119.832 0.390 1 1 1283 . 8 1 1 A 115 115 ASN H H 115 8.916 8.736 0.180 1 1 1284 . 8 1 1 A 115 115 ASN HA H 115 4.340 4.178 0.162 1 1 1289 . 8 1 1 A 115 115 ASN CA C 115 53.444 54.069 -0.625 1 1 1290 . 8 1 1 A 115 115 ASN CB C 115 36.467 37.087 -0.620 1 1 1291 . 8 1 1 A 115 115 ASN N N 115 120.916 118.934 1.982 1 1 1293 . 8 1 1 A 116 116 VAL H H 116 8.044 7.836 0.208 1 1 1294 . 8 1 1 A 116 116 VAL HA H 116 4.389 4.326 0.063 1 1 1302 . 8 1 1 A 116 116 VAL CA C 116 63.183 60.659 2.524 1 1 1303 . 8 1 1 A 116 116 VAL CB C 116 32.216 33.071 -0.855 1 1 1306 . 8 1 1 A 116 116 VAL N N 116 117.046 118.504 -1.458 1 1 1307 . 8 1 1 A 117 117 GLN H H 117 8.582 8.638 -0.056 1 1 1308 . 8 1 1 A 117 117 GLN HA H 117 4.550 4.715 -0.165 1 1 1315 . 8 1 1 A 117 117 GLN CA C 117 53.827 53.953 -0.126 1 1 1316 . 8 1 1 A 117 117 GLN CB C 117 33.119 31.500 1.619 1 1 1318 . 8 1 1 A 117 117 GLN N N 117 127.086 126.485 0.601 1 1 1320 . 8 1 1 A 118 118 ASN H H 118 8.330 8.709 -0.379 1 1 1321 . 8 1 1 A 118 118 ASN HA H 118 5.845 6.069 -0.224 1 1 1326 . 8 1 1 A 118 118 ASN CA C 118 51.736 51.394 0.342 1 1 1327 . 8 1 1 A 118 118 ASN CB C 118 42.644 41.200 1.444 1 1 1328 . 8 1 1 A 118 118 ASN N N 118 113.251 117.212 -3.961 1 1 1330 . 8 1 1 A 119 119 GLN H H 119 9.187 8.980 0.207 1 1 1331 . 8 1 1 A 119 119 GLN HA H 119 4.693 5.120 -0.427 1 1 1338 . 8 1 1 A 119 119 GLN CA C 119 55.160 54.173 0.987 1 1 1339 . 8 1 1 A 119 119 GLN CB C 119 34.157 32.505 1.652 1 1 1341 . 8 1 1 A 119 119 GLN N N 119 116.799 123.173 -6.374 1 1 1343 . 8 1 1 A 120 120 LEU H H 120 8.544 8.956 -0.412 1 1 1344 . 8 1 1 A 120 120 LEU HA H 120 5.059 5.076 -0.017 1 1 1354 . 8 1 1 A 120 120 LEU CA C 120 54.327 53.602 0.725 1 1 1355 . 8 1 1 A 120 120 LEU CB C 120 42.839 42.194 0.645 1 1 1359 . 8 1 1 A 120 120 LEU N N 120 123.292 126.156 -2.864 1 1 1360 . 8 1 1 A 121 121 ILE H H 121 8.657 8.950 -0.293 1 1 1361 . 8 1 1 A 121 121 ILE HA H 121 4.778 4.525 0.253 1 1 1371 . 8 1 1 A 121 121 ILE CA C 121 58.770 60.285 -1.515 1 1 1372 . 8 1 1 A 121 121 ILE CB C 121 41.582 38.369 3.213 1 1 1376 . 8 1 1 A 121 121 ILE N N 121 116.046 123.418 -7.372 1 1 1377 . 8 1 1 A 122 122 ASN H H 122 8.329 9.131 -0.802 1 1 1378 . 8 1 1 A 122 122 ASN HA H 122 5.068 5.266 -0.198 1 1 1383 . 8 1 1 A 122 122 ASN CA C 122 52.654 52.345 0.309 1 1 1384 . 8 1 1 A 122 122 ASN CB C 122 42.112 39.612 2.500 1 1 1385 . 8 1 1 A 122 122 ASN N N 122 118.416 126.254 -7.838 1 1 1387 . 8 1 1 A 123 123 ALA H H 123 8.547 8.809 -0.262 1 1 1388 . 8 1 1 A 123 123 ALA HA H 123 4.597 4.652 -0.055 1 1 1392 . 8 1 1 A 123 123 ALA CA C 123 48.537 49.194 -0.657 1 1 1393 . 8 1 1 A 123 123 ALA CB C 123 19.998 20.710 -0.712 1 1 1394 . 8 1 1 A 123 123 ALA N N 123 124.108 126.793 -2.685 1 1 1395 . 8 1 1 A 124 124 PRO HA H 124 4.537 4.464 0.073 1 1 1402 . 8 1 1 A 124 124 PRO CA C 124 60.979 62.459 -1.480 1 1 1403 . 8 1 1 A 124 124 PRO CB C 124 32.285 32.424 -0.139 1 1 1406 . 8 1 1 A 125 125 ALA H H 125 8.587 8.217 0.370 1 1 1407 . 8 1 1 A 125 125 ALA HA H 125 3.899 4.349 -0.450 1 1 1411 . 8 1 1 A 125 125 ALA CA C 125 52.692 52.862 -0.170 1 1 1412 . 8 1 1 A 125 125 ALA CB C 125 18.631 19.182 -0.551 1 1 1413 . 8 1 1 A 125 125 ALA N N 125 121.333 124.744 -3.411 1 1 1414 . 8 1 1 A 126 126 SER H H 126 8.227 8.970 -0.743 1 1 1415 . 8 1 1 A 126 126 SER HA H 126 4.616 4.579 0.037 1 1 1418 . 8 1 1 A 126 126 SER CA C 126 59.168 57.557 1.611 1 1 1419 . 8 1 1 A 126 126 SER CB C 126 64.636 61.377 3.259 1 1 1420 . 8 1 1 A 126 126 SER N N 126 118.947 119.264 -0.317 1 1 1421 . 8 1 1 A 127 127 VAL H H 127 8.595 7.996 0.599 1 1 1422 . 8 1 1 A 127 127 VAL HA H 127 4.276 4.163 0.113 1 1 1430 . 8 1 1 A 127 127 VAL CA C 127 62.194 63.572 -1.378 1 1 1431 . 8 1 1 A 127 127 VAL CB C 127 32.852 31.796 1.056 1 1 1434 . 8 1 1 A 127 127 VAL N N 127 117.209 126.122 -8.913 1 1 1435 . 8 1 1 A 128 128 LEU H H 128 7.844 7.585 0.259 1 1 1436 . 8 1 1 A 128 128 LEU HA H 128 4.588 4.684 -0.096 1 1 1446 . 8 1 1 A 128 128 LEU CA C 128 53.639 53.053 0.586 1 1 1447 . 8 1 1 A 128 128 LEU CB C 128 44.574 43.336 1.238 1 1 1451 . 8 1 1 A 128 128 LEU N N 128 121.103 124.549 -3.446 1 1 1452 . 8 1 1 A 129 129 ALA H H 129 8.377 8.847 -0.470 1 1 1453 . 8 1 1 A 129 129 ALA HA H 129 4.538 4.854 -0.316 1 1 1457 . 8 1 1 A 129 129 ALA CA C 129 53.476 50.166 3.310 1 1 1458 . 8 1 1 A 129 129 ALA CB C 129 20.982 19.837 1.145 1 1 1459 . 8 1 1 A 129 129 ALA N N 129 123.679 128.190 -4.511 1 1 1460 . 8 1 1 A 130 130 PRO HA H 130 4.669 4.734 -0.065 1 1 1467 . 8 1 1 A 130 130 PRO CA C 130 62.314 62.479 -0.165 1 1 1468 . 8 1 1 A 130 130 PRO CB C 130 33.473 32.397 1.076 1 1 1471 . 8 1 1 A 131 131 SER H H 131 9.365 8.465 0.900 1 1 1472 . 8 1 1 A 131 131 SER HA H 131 4.520 4.836 -0.316 1 1 1475 . 8 1 1 A 131 131 SER CA C 131 59.385 57.076 2.309 1 1 1476 . 8 1 1 A 131 131 SER CB C 131 63.866 64.475 -0.609 1 1 1477 . 8 1 1 A 131 131 SER N N 131 122.226 114.297 7.929 1 1 1478 . 8 1 1 A 132 132 ASP H H 132 8.608 8.992 -0.384 1 1 1479 . 8 1 1 A 132 132 ASP HA H 132 5.260 5.559 -0.299 1 1 1482 . 8 1 1 A 132 132 ASP CA C 132 53.345 53.228 0.117 1 1 1483 . 8 1 1 A 132 132 ASP CB C 132 41.791 45.002 -3.211 1 1 1484 . 8 1 1 A 132 132 ASP N N 132 124.814 122.205 2.609 1 1 1485 . 8 1 1 A 133 133 VAL H H 133 9.405 8.781 0.624 1 1 1486 . 8 1 1 A 133 133 VAL HA H 133 4.226 4.957 -0.731 1 1 1494 . 8 1 1 A 133 133 VAL CA C 133 61.669 60.421 1.248 1 1 1495 . 8 1 1 A 133 133 VAL CB C 133 34.448 35.370 -0.922 1 1 1498 . 8 1 1 A 133 133 VAL N N 133 127.192 120.593 6.599 1 1 1499 . 8 1 1 A 134 134 ASP H H 134 8.468 9.026 -0.558 1 1 1500 . 8 1 1 A 134 134 ASP HA H 134 5.368 5.822 -0.454 1 1 1503 . 8 1 1 A 134 134 ASP CA C 134 52.326 53.273 -0.947 1 1 1504 . 8 1 1 A 134 134 ASP CB C 134 41.245 43.168 -1.923 1 1 1505 . 8 1 1 A 134 134 ASP N N 134 127.161 123.271 3.890 1 1 1506 . 8 1 1 A 135 135 ILE H H 135 9.406 8.880 0.526 1 1 1507 . 8 1 1 A 135 135 ILE HA H 135 4.636 4.875 -0.239 1 1 1517 . 8 1 1 A 135 135 ILE CA C 135 57.478 57.062 0.416 1 1 1518 . 8 1 1 A 135 135 ILE CB C 135 39.411 40.166 -0.755 1 1 1522 . 8 1 1 A 135 135 ILE N N 135 125.603 119.990 5.613 1 1 1523 . 8 1 1 A 136 136 PRO HA H 136 4.844 4.903 -0.059 1 1 1530 . 8 1 1 A 136 136 PRO CA C 136 62.314 62.216 0.098 1 1 1531 . 8 1 1 A 136 136 PRO CB C 136 31.563 32.148 -0.585 1 1 1534 . 8 1 1 A 137 137 LEU H H 137 9.196 9.003 0.193 1 1 1535 . 8 1 1 A 137 137 LEU HA H 137 4.739 4.622 0.117 1 1 1545 . 8 1 1 A 137 137 LEU CA C 137 53.609 54.048 -0.439 1 1 1546 . 8 1 1 A 137 137 LEU CB C 137 45.473 42.656 2.817 1 1 1550 . 8 1 1 A 137 137 LEU N N 137 124.087 123.110 0.977 1 1 1551 . 8 1 1 A 138 138 GLN H H 138 8.928 8.869 0.059 1 1 1552 . 8 1 1 A 138 138 GLN HA H 138 4.581 4.445 0.136 1 1 1559 . 8 1 1 A 138 138 GLN CA C 138 54.780 54.628 0.152 1 1 1560 . 8 1 1 A 138 138 GLN CB C 138 29.048 28.672 0.376 1 1 1562 . 8 1 1 A 138 138 GLN N N 138 122.528 125.090 -2.562 1 1 1564 . 8 1 1 A 139 139 LEU H H 139 9.039 8.590 0.449 1 1 1565 . 8 1 1 A 139 139 LEU HA H 139 4.205 4.359 -0.154 1 1 1575 . 8 1 1 A 139 139 LEU CA C 139 52.367 54.212 -1.845 1 1 1576 . 8 1 1 A 139 139 LEU CB C 139 38.673 40.834 -2.161 1 1 1580 . 8 1 1 A 139 139 LEU N N 139 127.667 126.790 0.877 1 1 1581 . 8 1 1 A 140 140 LYS H H 140 8.078 8.574 -0.496 1 1 1582 . 8 1 1 A 140 140 LYS HA H 140 4.352 4.495 -0.143 1 1 1591 . 8 1 1 A 140 140 LYS CA C 140 56.826 55.660 1.166 1 1 1592 . 8 1 1 A 140 140 LYS CB C 140 32.657 33.806 -1.149 1 1 1596 . 8 1 1 A 140 140 LYS N N 140 124.108 123.826 0.282 1 1 1597 . 8 1 1 A 141 141 GLY H H 141 9.166 8.963 0.203 1 1 1598 . 8 1 1 A 141 141 GLY HA2 H 141 3.788 3.991 -0.203 1 1 1599 . 8 1 1 A 141 141 GLY HA3 H 141 4.119 4.009 0.110 1 1 1600 . 8 1 1 A 141 141 GLY CA C 141 45.682 45.141 0.541 1 1 1601 . 8 1 1 A 141 141 GLY N N 141 110.698 111.542 -0.844 1 1 1602 . 8 1 1 A 142 142 ILE H H 142 7.112 7.870 -0.758 1 1 1603 . 8 1 1 A 142 142 ILE HA H 142 4.600 4.772 -0.172 1 1 1613 . 8 1 1 A 142 142 ILE CA C 142 58.547 59.651 -1.104 1 1 1614 . 8 1 1 A 142 142 ILE CB C 142 40.437 41.617 -1.180 1 1 1618 . 8 1 1 A 142 142 ILE N N 142 117.928 122.392 -4.464 1 1 1619 . 8 1 1 A 143 143 SER H H 143 8.381 9.094 -0.713 1 1 1620 . 8 1 1 A 143 143 SER HA H 143 4.613 4.487 0.126 1 1 1623 . 8 1 1 A 143 143 SER CA C 143 56.654 58.893 -2.239 1 1 1624 . 8 1 1 A 143 143 SER CB C 143 65.051 63.899 1.152 1 1 1625 . 8 1 1 A 143 143 SER N N 143 123.373 124.918 -1.545 1 1 1626 . 8 1 1 A 144 144 VAL H H 144 8.702 8.578 0.124 1 1 1627 . 8 1 1 A 144 144 VAL HA H 144 3.593 3.789 -0.196 1 1 1635 . 8 1 1 A 144 144 VAL CA C 144 65.655 65.299 0.356 1 1 1636 . 8 1 1 A 144 144 VAL CB C 144 31.434 31.812 -0.378 1 1 1639 . 8 1 1 A 144 144 VAL N N 144 120.791 126.758 -5.967 1 1 1640 . 8 1 1 A 145 145 ASP H H 145 8.151 8.229 -0.078 1 1 1641 . 8 1 1 A 145 145 ASP HA H 145 4.435 4.410 0.025 1 1 1644 . 8 1 1 A 145 145 ASP CA C 145 55.211 57.603 -2.392 1 1 1645 . 8 1 1 A 145 145 ASP CB C 145 40.268 41.819 -1.551 1 1 1646 . 8 1 1 A 145 145 ASP N N 145 115.698 121.261 -5.563 1 1 1647 . 8 1 1 A 146 146 GLN H H 146 7.553 7.290 0.263 1 1 1648 . 8 1 1 A 146 146 GLN HA H 146 4.302 4.419 -0.117 1 1 1655 . 8 1 1 A 146 146 GLN CA C 146 55.072 55.470 -0.398 1 1 1656 . 8 1 1 A 146 146 GLN CB C 146 29.990 29.424 0.566 1 1 1658 . 8 1 1 A 146 146 GLN N N 146 117.118 115.493 1.625 1 1 1660 . 8 1 1 A 147 147 LEU H H 147 7.368 7.310 0.058 1 1 1661 . 8 1 1 A 147 147 LEU HA H 147 4.119 4.425 -0.306 1 1 1671 . 8 1 1 A 147 147 LEU CA C 147 54.904 54.960 -0.056 1 1 1672 . 8 1 1 A 147 147 LEU CB C 147 40.355 42.987 -2.632 1 1 1676 . 8 1 1 A 147 147 LEU N N 147 121.541 123.710 -2.169 1 1 1677 . 8 1 1 A 148 148 GLY H H 148 8.791 8.639 0.152 1 1 1678 . 8 1 1 A 148 148 GLY HA2 H 148 4.512 3.989 0.523 1 1 1679 . 8 1 1 A 148 148 GLY HA3 H 148 3.997 4.078 -0.081 1 1 1680 . 8 1 1 A 148 148 GLY CA C 148 45.610 46.895 -1.285 1 1 1681 . 8 1 1 A 148 148 GLY N N 148 116.322 113.180 3.142 1 1 1682 . 8 1 1 A 149 149 PHE H H 149 7.790 7.837 -0.047 1 1 1683 . 8 1 1 A 149 149 PHE HA H 149 5.215 5.282 -0.067 1 1 1691 . 8 1 1 A 149 149 PHE CA C 149 56.942 56.136 0.806 1 1 1692 . 8 1 1 A 149 149 PHE CB C 149 42.019 42.554 -0.535 1 1 1696 . 8 1 1 A 149 149 PHE N N 149 113.675 113.210 0.465 1 1 1697 . 8 1 1 A 150 150 VAL H H 150 8.549 9.218 -0.669 1 1 1698 . 8 1 1 A 150 150 VAL HA H 150 4.776 4.511 0.265 1 1 1706 . 8 1 1 A 150 150 VAL CA C 150 61.068 61.447 -0.379 1 1 1707 . 8 1 1 A 150 150 VAL CB C 150 34.594 32.885 1.709 1 1 1710 . 8 1 1 A 150 150 VAL N N 150 118.208 120.826 -2.618 1 1 1711 . 8 1 1 A 151 151 ARG H H 151 9.953 9.376 0.577 1 1 1712 . 8 1 1 A 151 151 ARG HA H 151 5.783 5.276 0.507 1 1 1719 . 8 1 1 A 151 151 ARG CA C 151 53.530 55.079 -1.549 1 1 1720 . 8 1 1 A 151 151 ARG CB C 151 33.540 31.981 1.559 1 1 1723 . 8 1 1 A 151 151 ARG N N 151 128.446 129.106 -0.660 1 1 1724 . 8 1 1 A 152 152 ILE H H 152 8.905 8.791 0.114 1 1 1725 . 8 1 1 A 152 152 ILE HA H 152 5.188 4.967 0.221 1 1 1735 . 8 1 1 A 152 152 ILE CA C 152 60.464 60.491 -0.027 1 1 1736 . 8 1 1 A 152 152 ILE CB C 152 39.542 39.200 0.342 1 1 1740 . 8 1 1 A 152 152 ILE N N 152 127.149 128.326 -1.177 1 1 1741 . 8 1 1 A 153 153 HIS H H 153 8.941 8.569 0.372 1 1 1742 . 8 1 1 A 153 153 HIS HA H 153 5.074 4.937 0.137 1 1 1747 . 8 1 1 A 153 153 HIS CA C 153 53.417 54.751 -1.334 1 1 1748 . 8 1 1 A 153 153 HIS CB C 153 31.734 32.059 -0.325 1 1 1751 . 8 1 1 A 153 153 HIS N N 153 119.132 122.419 -3.287 1 1 1752 . 8 1 1 A 154 154 ASP H H 154 9.109 8.854 0.255 1 1 1753 . 8 1 1 A 154 154 ASP HA H 154 4.276 4.147 0.129 1 1 1756 . 8 1 1 A 154 154 ASP CA C 154 55.630 55.304 0.326 1 1 1757 . 8 1 1 A 154 154 ASP CB C 154 39.450 39.008 0.442 1 1 1758 . 8 1 1 A 154 154 ASP N N 154 116.420 116.787 -0.367 1 1 1759 . 8 1 1 A 155 155 ILE H H 155 8.062 8.064 -0.002 1 1 1760 . 8 1 1 A 155 155 ILE HA H 155 5.051 4.068 0.983 1 1 1770 . 8 1 1 A 155 155 ILE CA C 155 59.666 61.520 -1.854 1 1 1771 . 8 1 1 A 155 155 ILE CB C 155 35.757 36.653 -0.896 1 1 1775 . 8 1 1 A 155 155 ILE N N 155 119.131 119.738 -0.607 1 1 1776 . 8 1 1 A 156 156 GLN H H 156 9.011 8.455 0.556 1 1 1777 . 8 1 1 A 156 156 GLN HA H 156 4.993 5.058 -0.065 1 1 1784 . 8 1 1 A 156 156 GLN CA C 156 51.975 52.841 -0.866 1 1 1785 . 8 1 1 A 156 156 GLN CB C 156 31.210 31.549 -0.339 1 1 1787 . 8 1 1 A 156 156 GLN N N 156 127.177 124.693 2.484 1 1 1789 . 8 1 1 A 157 157 PRO HA H 157 4.964 4.940 0.024 1 1 1796 . 8 1 1 A 157 157 PRO CA C 157 61.770 62.605 -0.835 1 1 1797 . 8 1 1 A 157 157 PRO CB C 157 31.637 32.565 -0.928 1 1 1800 . 8 1 1 A 158 158 VAL H H 158 7.921 8.598 -0.677 1 1 1801 . 8 1 1 A 158 158 VAL HA H 158 4.107 4.779 -0.672 1 1 1809 . 8 1 1 A 158 158 VAL CA C 158 62.234 59.555 2.679 1 1 1810 . 8 1 1 A 158 158 VAL CB C 158 32.610 33.637 -1.027 1 1 1813 . 8 1 1 A 158 158 VAL N N 158 121.642 116.612 5.030 1 1 1814 . 8 1 1 A 159 159 MET H H 159 8.544 8.629 -0.085 1 1 1815 . 8 1 1 A 159 159 MET HA H 159 4.548 5.104 -0.556 1 1 1820 . 8 1 1 A 159 159 MET CA C 159 54.731 53.650 1.081 1 1 1821 . 8 1 1 A 159 159 MET CB C 159 32.547 35.843 -3.296 1 1 1823 . 8 1 1 A 159 159 MET N N 159 124.452 121.094 3.358 1 1 1824 . 8 1 1 A 160 160 GLN H H 160 8.434 8.788 -0.354 1 1 1825 . 8 1 1 A 160 160 GLN HA H 160 4.354 4.189 0.165 1 1 1832 . 8 1 1 A 160 160 GLN CA C 160 55.399 57.371 -1.972 1 1 1833 . 8 1 1 A 160 160 GLN CB C 160 29.112 28.381 0.731 1 1 1835 . 8 1 1 A 160 160 GLN N N 160 121.917 117.302 4.615 1 1 1837 . 8 1 1 A 161 161 LEU H H 161 8.325 7.620 0.705 1 1 1838 . 8 1 1 A 161 161 LEU HA H 161 4.314 4.224 0.090 1 1 1848 . 8 1 1 A 161 161 LEU CA C 161 55.040 54.490 0.550 1 1 1849 . 8 1 1 A 161 161 LEU CB C 161 42.225 42.440 -0.215 1 1 1853 . 8 1 1 A 161 161 LEU N N 161 123.826 122.582 1.244 1 1 1854 . 8 1 1 A 162 162 GLU H H 162 8.358 8.914 -0.556 1 1 1855 . 8 1 1 A 162 162 GLU HA H 162 4.216 4.290 -0.074 1 1 1860 . 8 1 1 A 162 162 GLU CA C 162 56.343 58.087 -1.744 1 1 1861 . 8 1 1 A 162 162 GLU CB C 162 30.083 29.919 0.164 1 1 1863 . 8 1 1 A 162 162 GLU N N 162 121.293 123.681 -2.388 1 1 1864 . 8 1 1 A 163 163 HIS H H 163 8.376 7.589 0.787 1 1 1865 . 8 1 1 A 163 163 HIS HA H 163 4.641 5.297 -0.656 1 1 1868 . 8 1 1 A 163 163 HIS CA C 163 55.437 53.569 1.868 1 1 1869 . 8 1 1 A 163 163 HIS CB C 163 29.412 32.905 -3.493 1 1 1870 . 8 1 1 A 163 163 HIS N N 163 121.307 113.232 8.075 1 1 1871 . 8 1 1 A 164 164 HIS H H 164 8.289 8.843 -0.554 1 1 1872 . 8 1 1 A 164 164 HIS N N 164 125.228 118.718 6.510 1 1 1873 . 8 1 1 A 166 166 HIS HA H 166 4.300 4.066 0.234 1 1 1876 . 8 1 1 A 166 166 HIS CA C 166 55.708 56.155 -0.447 1 1 1877 . 8 1 1 A 166 166 HIS CB C 166 29.207 27.791 1.416 1 1 1878 . 8 1 1 A 167 167 HIS H H 167 8.591 7.832 0.759 1 1 1879 . 8 1 1 A 167 167 HIS HA H 167 4.541 4.913 -0.372 1 1 1882 . 8 1 1 A 167 167 HIS CA C 167 54.678 54.374 0.304 1 1 1883 . 8 1 1 A 167 167 HIS CB C 167 26.256 29.855 -3.599 1 1 1884 . 8 1 1 A 167 167 HIS N N 167 121.317 116.454 4.863 1 1 1 . 9 1 1 A 2 2 VAL HA H 2 3.850 4.475 -0.625 1 1 9 . 9 1 1 A 2 2 VAL CA C 2 61.400 60.389 1.011 1 1 10 . 9 1 1 A 2 2 VAL CB C 2 32.400 34.496 -2.096 1 1 13 . 9 1 1 A 3 3 GLN HA H 3 4.445 5.191 -0.746 1 1 18 . 9 1 1 A 3 3 GLN CA C 3 55.467 54.059 1.408 1 1 19 . 9 1 1 A 3 3 GLN CB C 3 29.271 32.809 -3.538 1 1 21 . 9 1 1 A 4 4 GLN H H 4 8.703 8.739 -0.036 1 1 22 . 9 1 1 A 4 4 GLN HA H 4 4.356 4.952 -0.596 1 1 27 . 9 1 1 A 4 4 GLN CA C 4 55.961 54.536 1.425 1 1 28 . 9 1 1 A 4 4 GLN CB C 4 29.178 30.476 -1.298 1 1 30 . 9 1 1 A 4 4 GLN N N 4 123.281 120.755 2.526 1 1 31 . 9 1 1 A 5 5 SER H H 5 8.426 8.989 -0.563 1 1 32 . 9 1 1 A 5 5 SER HA H 5 4.424 5.021 -0.597 1 1 35 . 9 1 1 A 5 5 SER CA C 5 58.498 56.845 1.653 1 1 36 . 9 1 1 A 5 5 SER CB C 5 63.534 64.172 -0.638 1 1 37 . 9 1 1 A 5 5 SER N N 5 116.845 121.116 -4.271 1 1 38 . 9 1 1 A 6 6 GLU H H 6 8.434 8.915 -0.481 1 1 39 . 9 1 1 A 6 6 GLU HA H 6 4.342 4.712 -0.370 1 1 44 . 9 1 1 A 6 6 GLU CA C 6 56.410 55.562 0.848 1 1 45 . 9 1 1 A 6 6 GLU CB C 6 29.873 29.418 0.455 1 1 47 . 9 1 1 A 6 6 GLU N N 6 122.965 128.242 -5.277 1 1 48 . 9 1 1 A 7 7 VAL H H 7 8.131 8.322 -0.191 1 1 49 . 9 1 1 A 7 7 VAL HA H 7 4.063 4.354 -0.291 1 1 57 . 9 1 1 A 7 7 VAL CA C 7 62.213 61.691 0.522 1 1 58 . 9 1 1 A 7 7 VAL CB C 7 32.391 32.812 -0.421 1 1 61 . 9 1 1 A 7 7 VAL N N 7 121.508 121.432 0.076 1 1 62 . 9 1 1 A 8 8 ARG H H 8 8.376 8.883 -0.507 1 1 63 . 9 1 1 A 8 8 ARG HA H 8 4.335 4.950 -0.615 1 1 70 . 9 1 1 A 8 8 ARG CA C 8 56.013 54.248 1.765 1 1 71 . 9 1 1 A 8 8 ARG CB C 8 30.528 32.629 -2.101 1 1 74 . 9 1 1 A 8 8 ARG N N 8 124.504 124.827 -0.323 1 1 75 . 9 1 1 A 9 9 GLN H H 9 8.360 8.724 -0.364 1 1 76 . 9 1 1 A 9 9 GLN HA H 9 4.353 4.667 -0.314 1 1 81 . 9 1 1 A 9 9 GLN CA C 9 55.446 55.813 -0.367 1 1 82 . 9 1 1 A 9 9 GLN CB C 9 29.236 29.074 0.162 1 1 84 . 9 1 1 A 9 9 GLN N N 9 121.537 123.692 -2.155 1 1 85 . 9 1 1 A 10 10 MET H H 10 8.391 8.544 -0.153 1 1 86 . 9 1 1 A 10 10 MET HA H 10 4.459 5.278 -0.819 1 1 91 . 9 1 1 A 10 10 MET CA C 10 55.062 54.078 0.984 1 1 92 . 9 1 1 A 10 10 MET CB C 10 32.482 35.502 -3.020 1 1 94 . 9 1 1 A 10 10 MET N N 10 122.199 120.542 1.657 1 1 95 . 9 1 1 A 11 11 LYS H H 11 8.317 8.529 -0.212 1 1 96 . 9 1 1 A 11 11 LYS HA H 11 4.296 4.601 -0.305 1 1 105 . 9 1 1 A 11 11 LYS CA C 11 56.114 54.697 1.417 1 1 106 . 9 1 1 A 11 11 LYS CB C 11 32.372 36.370 -3.998 1 1 110 . 9 1 1 A 11 11 LYS N N 11 122.440 122.571 -0.131 1 1 111 . 9 1 1 A 12 12 HIS H H 12 8.489 8.573 -0.084 1 1 112 . 9 1 1 A 12 12 HIS HA H 12 4.748 4.684 0.064 1 1 116 . 9 1 1 A 12 12 HIS CA C 12 55.052 56.983 -1.931 1 1 117 . 9 1 1 A 12 12 HIS CB C 12 29.094 30.430 -1.336 1 1 119 . 9 1 1 A 12 12 HIS N N 12 119.934 119.975 -0.041 1 1 120 . 9 1 1 A 13 13 SER H H 13 8.401 7.705 0.696 1 1 121 . 9 1 1 A 13 13 SER HA H 13 4.518 4.543 -0.025 1 1 124 . 9 1 1 A 13 13 SER CA C 13 57.855 58.412 -0.557 1 1 125 . 9 1 1 A 13 13 SER CB C 13 63.750 63.413 0.337 1 1 126 . 9 1 1 A 13 13 SER N N 13 117.596 115.652 1.944 1 1 127 . 9 1 1 A 14 14 VAL H H 14 8.285 8.581 -0.296 1 1 128 . 9 1 1 A 14 14 VAL HA H 14 4.239 4.098 0.141 1 1 136 . 9 1 1 A 14 14 VAL CA C 14 62.078 63.211 -1.133 1 1 137 . 9 1 1 A 14 14 VAL CB C 14 32.564 31.767 0.797 1 1 140 . 9 1 1 A 14 14 VAL N N 14 121.378 129.166 -7.788 1 1 141 . 9 1 1 A 15 15 SER H H 15 8.419 8.916 -0.497 1 1 142 . 9 1 1 A 15 15 SER HA H 15 4.556 5.378 -0.822 1 1 145 . 9 1 1 A 15 15 SER CA C 15 57.855 56.506 1.349 1 1 146 . 9 1 1 A 15 15 SER CB C 15 63.600 66.617 -3.017 1 1 147 . 9 1 1 A 15 15 SER N N 15 119.022 124.371 -5.349 1 1 148 . 9 1 1 A 16 16 THR H H 16 8.189 8.654 -0.465 1 1 149 . 9 1 1 A 16 16 THR HA H 16 4.362 5.112 -0.750 1 1 154 . 9 1 1 A 16 16 THR CA C 16 61.510 60.491 1.019 1 1 155 . 9 1 1 A 16 16 THR CB C 16 69.292 71.751 -2.459 1 1 157 . 9 1 1 A 16 16 THR N N 16 116.040 114.838 1.202 1 1 158 . 9 1 1 A 17 17 LEU H H 17 8.168 8.950 -0.782 1 1 159 . 9 1 1 A 17 17 LEU HA H 17 4.331 4.860 -0.529 1 1 169 . 9 1 1 A 17 17 LEU CA C 17 55.446 53.409 2.037 1 1 170 . 9 1 1 A 17 17 LEU CB C 17 42.032 43.333 -1.301 1 1 174 . 9 1 1 A 17 17 LEU N N 17 123.796 125.608 -1.812 1 1 175 . 9 1 1 A 18 18 ASN H H 18 8.406 8.545 -0.139 1 1 176 . 9 1 1 A 18 18 ASN HA H 18 4.685 4.577 0.108 1 1 181 . 9 1 1 A 18 18 ASN CA C 18 53.276 53.689 -0.413 1 1 182 . 9 1 1 A 18 18 ASN CB C 18 38.462 38.489 -0.027 1 1 183 . 9 1 1 A 18 18 ASN N N 18 119.197 120.154 -0.957 1 1 185 . 9 1 1 A 19 19 GLN H H 19 8.346 8.418 -0.072 1 1 186 . 9 1 1 A 19 19 GLN HA H 19 4.319 4.192 0.127 1 1 193 . 9 1 1 A 19 19 GLN CA C 19 56.075 57.163 -1.088 1 1 194 . 9 1 1 A 19 19 GLN CB C 19 29.077 28.940 0.137 1 1 196 . 9 1 1 A 19 19 GLN N N 19 120.620 121.319 -0.699 1 1 198 . 9 1 1 A 20 20 GLU H H 20 8.474 8.590 -0.116 1 1 199 . 9 1 1 A 20 20 GLU HA H 20 4.269 4.394 -0.125 1 1 204 . 9 1 1 A 20 20 GLU CA C 20 56.932 56.596 0.336 1 1 205 . 9 1 1 A 20 20 GLU CB C 20 29.694 30.874 -1.180 1 1 207 . 9 1 1 A 20 20 GLU N N 20 121.410 122.367 -0.957 1 1 208 . 9 1 1 A 21 21 MET H H 21 8.366 8.667 -0.301 1 1 209 . 9 1 1 A 21 21 MET HA H 21 4.538 4.883 -0.345 1 1 214 . 9 1 1 A 21 21 MET CA C 21 55.812 54.490 1.322 1 1 215 . 9 1 1 A 21 21 MET CB C 21 32.188 34.701 -2.513 1 1 217 . 9 1 1 A 21 21 MET N N 21 120.618 119.619 0.999 1 1 218 . 9 1 1 A 22 22 THR H H 22 8.127 8.232 -0.105 1 1 219 . 9 1 1 A 22 22 THR HA H 22 4.299 4.756 -0.457 1 1 224 . 9 1 1 A 22 22 THR CA C 22 62.287 60.463 1.824 1 1 225 . 9 1 1 A 22 22 THR CB C 22 69.174 70.343 -1.169 1 1 227 . 9 1 1 A 22 22 THR N N 22 114.858 112.711 2.147 1 1 228 . 9 1 1 A 23 23 GLN H H 23 8.342 8.546 -0.204 1 1 229 . 9 1 1 A 23 23 GLN HA H 23 4.339 4.619 -0.280 1 1 236 . 9 1 1 A 23 23 GLN CA C 23 56.148 55.410 0.738 1 1 237 . 9 1 1 A 23 23 GLN CB C 23 29.112 30.318 -1.206 1 1 239 . 9 1 1 A 23 23 GLN N N 23 122.047 122.151 -0.104 1 1 241 . 9 1 1 A 24 24 LEU H H 24 8.174 8.397 -0.223 1 1 242 . 9 1 1 A 24 24 LEU HA H 24 4.334 4.315 0.019 1 1 252 . 9 1 1 A 24 24 LEU CA C 24 55.519 56.001 -0.482 1 1 253 . 9 1 1 A 24 24 LEU CB C 24 42.146 43.162 -1.016 1 1 257 . 9 1 1 A 24 24 LEU N N 24 122.328 127.969 -5.641 1 1 258 . 9 1 1 A 25 25 ASN H H 25 8.384 8.654 -0.270 1 1 259 . 9 1 1 A 25 25 ASN HA H 25 4.692 4.675 0.017 1 1 264 . 9 1 1 A 25 25 ASN CA C 25 53.481 53.621 -0.140 1 1 265 . 9 1 1 A 25 25 ASN CB C 25 38.445 38.541 -0.096 1 1 266 . 9 1 1 A 25 25 ASN N N 25 119.262 124.143 -4.881 1 1 268 . 9 1 1 A 26 26 GLN H H 26 8.453 8.674 -0.221 1 1 269 . 9 1 1 A 26 26 GLN HA H 26 4.215 3.972 0.243 1 1 276 . 9 1 1 A 26 26 GLN CA C 26 57.037 59.300 -2.263 1 1 277 . 9 1 1 A 26 26 GLN CB C 26 28.996 28.135 0.861 1 1 279 . 9 1 1 A 26 26 GLN N N 26 120.394 121.870 -1.476 1 1 281 . 9 1 1 A 27 27 GLU H H 27 8.501 8.341 0.160 1 1 282 . 9 1 1 A 27 27 GLU HA H 27 4.202 4.075 0.127 1 1 287 . 9 1 1 A 27 27 GLU CA C 27 58.573 59.304 -0.731 1 1 288 . 9 1 1 A 27 27 GLU CB C 27 29.349 29.746 -0.397 1 1 290 . 9 1 1 A 27 27 GLU N N 27 121.130 119.481 1.649 1 1 291 . 9 1 1 A 28 28 THR H H 28 8.032 8.164 -0.132 1 1 292 . 9 1 1 A 28 28 THR HA H 28 4.079 3.976 0.103 1 1 297 . 9 1 1 A 28 28 THR CA C 28 64.762 66.524 -1.762 1 1 298 . 9 1 1 A 28 28 THR CB C 28 68.354 68.484 -0.130 1 1 300 . 9 1 1 A 28 28 THR N N 28 114.032 115.903 -1.871 1 1 301 . 9 1 1 A 29 29 VAL H H 29 7.969 8.021 -0.052 1 1 302 . 9 1 1 A 29 29 VAL HA H 29 3.812 3.546 0.266 1 1 310 . 9 1 1 A 29 29 VAL CA C 29 65.572 67.419 -1.847 1 1 311 . 9 1 1 A 29 29 VAL CB C 29 31.624 31.381 0.243 1 1 314 . 9 1 1 A 29 29 VAL N N 29 122.215 122.091 0.124 1 1 315 . 9 1 1 A 30 30 LYS H H 30 7.910 8.206 -0.296 1 1 316 . 9 1 1 A 30 30 LYS HA H 30 4.175 3.987 0.188 1 1 325 . 9 1 1 A 30 30 LYS CA C 30 57.780 59.907 -2.127 1 1 326 . 9 1 1 A 30 30 LYS CB C 30 31.537 32.192 -0.655 1 1 330 . 9 1 1 A 30 30 LYS N N 30 119.387 120.272 -0.885 1 1 331 . 9 1 1 A 31 31 ILE H H 31 8.277 8.146 0.131 1 1 332 . 9 1 1 A 31 31 ILE HA H 31 3.602 3.621 -0.019 1 1 342 . 9 1 1 A 31 31 ILE CA C 31 65.712 65.259 0.453 1 1 343 . 9 1 1 A 31 31 ILE CB C 31 38.559 37.431 1.128 1 1 347 . 9 1 1 A 31 31 ILE N N 31 121.053 120.010 1.043 1 1 348 . 9 1 1 A 32 32 THR H H 32 7.896 8.259 -0.363 1 1 349 . 9 1 1 A 32 32 THR HA H 32 4.004 3.872 0.132 1 1 354 . 9 1 1 A 32 32 THR CA C 32 65.922 66.909 -0.987 1 1 355 . 9 1 1 A 32 32 THR CB C 32 68.400 68.529 -0.129 1 1 357 . 9 1 1 A 32 32 THR N N 32 115.554 116.429 -0.875 1 1 358 . 9 1 1 A 33 33 GLN H H 33 8.279 8.141 0.138 1 1 359 . 9 1 1 A 33 33 GLN HA H 33 3.887 3.885 0.002 1 1 366 . 9 1 1 A 33 33 GLN CA C 33 59.052 59.094 -0.042 1 1 367 . 9 1 1 A 33 33 GLN CB C 33 27.889 28.155 -0.266 1 1 369 . 9 1 1 A 33 33 GLN N N 33 120.920 121.045 -0.125 1 1 371 . 9 1 1 A 34 34 GLN H H 34 8.671 7.780 0.891 1 1 372 . 9 1 1 A 34 34 GLN HA H 34 3.615 4.020 -0.405 1 1 379 . 9 1 1 A 34 34 GLN CA C 34 60.424 58.940 1.484 1 1 380 . 9 1 1 A 34 34 GLN CB C 34 30.058 28.532 1.526 1 1 382 . 9 1 1 A 34 34 GLN N N 34 120.388 119.014 1.374 1 1 384 . 9 1 1 A 35 35 ASN H H 35 8.636 8.190 0.446 1 1 385 . 9 1 1 A 35 35 ASN HA H 35 4.595 4.510 0.085 1 1 390 . 9 1 1 A 35 35 ASN CA C 35 55.363 55.922 -0.559 1 1 391 . 9 1 1 A 35 35 ASN CB C 35 36.904 37.706 -0.802 1 1 392 . 9 1 1 A 35 35 ASN N N 35 116.477 118.319 -1.842 1 1 394 . 9 1 1 A 36 36 ARG H H 36 8.321 7.837 0.484 1 1 395 . 9 1 1 A 36 36 ARG HA H 36 4.142 3.962 0.180 1 1 402 . 9 1 1 A 36 36 ARG CA C 36 58.582 58.882 -0.300 1 1 403 . 9 1 1 A 36 36 ARG CB C 36 29.712 29.749 -0.037 1 1 406 . 9 1 1 A 36 36 ARG N N 36 121.347 119.386 1.961 1 1 407 . 9 1 1 A 37 37 LEU H H 37 8.251 8.103 0.148 1 1 408 . 9 1 1 A 37 37 LEU HA H 37 3.788 3.648 0.140 1 1 418 . 9 1 1 A 37 37 LEU CA C 37 57.094 57.396 -0.302 1 1 419 . 9 1 1 A 37 37 LEU CB C 37 40.554 40.343 0.211 1 1 423 . 9 1 1 A 37 37 LEU N N 37 120.862 119.593 1.269 1 1 424 . 9 1 1 A 38 38 ASN H H 38 8.047 8.410 -0.363 1 1 425 . 9 1 1 A 38 38 ASN HA H 38 5.134 4.525 0.609 1 1 430 . 9 1 1 A 38 38 ASN CA C 38 54.413 55.952 -1.539 1 1 431 . 9 1 1 A 38 38 ASN CB C 38 38.069 38.189 -0.120 1 1 432 . 9 1 1 A 38 38 ASN N N 38 115.574 118.484 -2.910 1 1 434 . 9 1 1 A 39 39 ALA H H 39 7.878 7.821 0.057 1 1 435 . 9 1 1 A 39 39 ALA HA H 39 4.342 4.125 0.217 1 1 439 . 9 1 1 A 39 39 ALA CA C 39 53.981 54.856 -0.875 1 1 440 . 9 1 1 A 39 39 ALA CB C 39 18.340 18.345 -0.005 1 1 441 . 9 1 1 A 39 39 ALA N N 39 123.076 122.120 0.956 1 1 442 . 9 1 1 A 40 40 LYS H H 40 7.431 7.405 0.026 1 1 443 . 9 1 1 A 40 40 LYS HA H 40 4.528 4.311 0.217 1 1 452 . 9 1 1 A 40 40 LYS CA C 40 55.285 56.219 -0.934 1 1 453 . 9 1 1 A 40 40 LYS CB C 40 32.852 32.793 0.059 1 1 457 . 9 1 1 A 40 40 LYS N N 40 114.889 115.173 -0.284 1 1 458 . 9 1 1 A 41 41 SER H H 41 7.671 7.271 0.400 1 1 459 . 9 1 1 A 41 41 SER HA H 41 4.615 4.466 0.149 1 1 462 . 9 1 1 A 41 41 SER CA C 41 58.189 58.695 -0.506 1 1 463 . 9 1 1 A 41 41 SER CB C 41 63.924 63.771 0.153 1 1 464 . 9 1 1 A 41 41 SER N N 41 114.795 116.930 -2.135 1 1 465 . 9 1 1 A 42 42 SER H H 42 8.927 8.969 -0.042 1 1 466 . 9 1 1 A 42 42 SER HA H 42 4.792 4.814 -0.022 1 1 469 . 9 1 1 A 42 42 SER CA C 42 58.133 58.988 -0.855 1 1 470 . 9 1 1 A 42 42 SER CB C 42 63.712 64.968 -1.256 1 1 471 . 9 1 1 A 42 42 SER N N 42 120.934 123.956 -3.022 1 1 472 . 9 1 1 A 43 43 SER H H 43 8.320 8.203 0.117 1 1 473 . 9 1 1 A 43 43 SER HA H 43 4.654 4.670 -0.016 1 1 476 . 9 1 1 A 43 43 SER CA C 43 57.309 57.514 -0.205 1 1 477 . 9 1 1 A 43 43 SER CB C 43 63.151 63.823 -0.672 1 1 478 . 9 1 1 A 43 43 SER N N 43 115.966 111.950 4.016 1 1 479 . 9 1 1 A 44 44 GLY H H 44 8.182 7.402 0.780 1 1 480 . 9 1 1 A 44 44 GLY HA2 H 44 4.206 4.114 0.092 1 1 481 . 9 1 1 A 44 44 GLY HA3 H 44 4.399 4.118 0.281 1 1 482 . 9 1 1 A 44 44 GLY CA C 44 44.540 44.075 0.465 1 1 483 . 9 1 1 A 44 44 GLY N N 44 110.764 110.095 0.669 1 1 484 . 9 1 1 A 45 45 VAL H H 45 8.341 7.915 0.426 1 1 485 . 9 1 1 A 45 45 VAL HA H 45 4.845 4.467 0.378 1 1 493 . 9 1 1 A 45 45 VAL CA C 45 58.981 61.575 -2.594 1 1 494 . 9 1 1 A 45 45 VAL CB C 45 35.239 32.728 2.511 1 1 497 . 9 1 1 A 45 45 VAL N N 45 114.116 117.504 -3.388 1 1 498 . 9 1 1 A 46 46 TYR H H 46 10.501 9.037 1.464 1 1 499 . 9 1 1 A 46 46 TYR HA H 46 5.004 5.089 -0.085 1 1 506 . 9 1 1 A 46 46 TYR CA C 46 58.121 57.247 0.874 1 1 507 . 9 1 1 A 46 46 TYR CB C 46 41.382 39.195 2.187 1 1 510 . 9 1 1 A 46 46 TYR N N 46 123.384 124.948 -1.564 1 1 511 . 9 1 1 A 47 47 LEU H H 47 9.364 9.441 -0.077 1 1 512 . 9 1 1 A 47 47 LEU HA H 47 4.695 5.145 -0.450 1 1 522 . 9 1 1 A 47 47 LEU CA C 47 52.769 53.730 -0.961 1 1 523 . 9 1 1 A 47 47 LEU CB C 47 44.689 43.518 1.171 1 1 527 . 9 1 1 A 47 47 LEU N N 47 118.822 125.709 -6.887 1 1 528 . 9 1 1 A 48 48 LEU H H 48 9.128 9.245 -0.117 1 1 529 . 9 1 1 A 48 48 LEU HA H 48 5.232 4.841 0.391 1 1 539 . 9 1 1 A 48 48 LEU CA C 48 51.100 50.909 0.191 1 1 540 . 9 1 1 A 48 48 LEU CB C 48 40.141 44.549 -4.408 1 1 544 . 9 1 1 A 48 48 LEU N N 48 123.384 124.384 -1.000 1 1 545 . 9 1 1 A 49 49 PRO HA H 49 4.090 4.279 -0.189 1 1 552 . 9 1 1 A 49 49 PRO CA C 49 64.912 63.712 1.200 1 1 553 . 9 1 1 A 49 49 PRO CB C 49 31.607 31.440 0.167 1 1 556 . 9 1 1 A 50 50 GLY H H 50 9.181 8.844 0.337 1 1 557 . 9 1 1 A 50 50 GLY HA2 H 50 3.933 3.904 0.029 1 1 558 . 9 1 1 A 50 50 GLY HA3 H 50 4.757 3.908 0.849 1 1 559 . 9 1 1 A 50 50 GLY CA C 50 45.499 45.318 0.181 1 1 560 . 9 1 1 A 50 50 GLY N N 50 106.827 112.361 -5.534 1 1 561 . 9 1 1 A 51 51 ALA H H 51 7.857 7.572 0.285 1 1 562 . 9 1 1 A 51 51 ALA HA H 51 4.264 4.397 -0.133 1 1 566 . 9 1 1 A 51 51 ALA CA C 51 53.156 51.205 1.951 1 1 567 . 9 1 1 A 51 51 ALA CB C 51 18.492 17.955 0.537 1 1 568 . 9 1 1 A 51 51 ALA N N 51 120.192 123.269 -3.077 1 1 569 . 9 1 1 A 52 52 LYS H H 52 7.787 8.968 -1.181 1 1 570 . 9 1 1 A 52 52 LYS HA H 52 4.094 4.457 -0.363 1 1 579 . 9 1 1 A 52 52 LYS CA C 52 56.979 55.822 1.157 1 1 580 . 9 1 1 A 52 52 LYS CB C 52 30.731 32.344 -1.613 1 1 584 . 9 1 1 A 52 52 LYS N N 52 115.260 125.302 -10.042 1 1 585 . 9 1 1 A 53 53 THR H H 53 8.043 7.327 0.716 1 1 586 . 9 1 1 A 53 53 THR HA H 53 4.924 4.804 0.120 1 1 591 . 9 1 1 A 53 53 THR CA C 53 59.565 58.961 0.604 1 1 592 . 9 1 1 A 53 53 THR CB C 53 72.729 69.835 2.894 1 1 594 . 9 1 1 A 53 53 THR N N 53 114.085 111.509 2.576 1 1 595 . 9 1 1 A 54 54 PRO HA H 54 4.860 4.858 0.002 1 1 602 . 9 1 1 A 54 54 PRO CA C 54 62.176 62.310 -0.134 1 1 603 . 9 1 1 A 54 54 PRO CB C 54 32.820 32.874 -0.054 1 1 606 . 9 1 1 A 55 55 ALA H H 55 8.834 8.570 0.264 1 1 607 . 9 1 1 A 55 55 ALA HA H 55 4.824 5.024 -0.200 1 1 611 . 9 1 1 A 55 55 ALA CA C 55 50.500 50.772 -0.272 1 1 612 . 9 1 1 A 55 55 ALA CB C 55 22.858 22.826 0.032 1 1 613 . 9 1 1 A 55 55 ALA N N 55 122.227 121.012 1.215 1 1 614 . 9 1 1 A 56 56 ARG H H 56 8.445 8.618 -0.173 1 1 615 . 9 1 1 A 56 56 ARG HA H 56 5.262 4.716 0.546 1 1 623 . 9 1 1 A 56 56 ARG CA C 56 54.401 55.712 -1.311 1 1 624 . 9 1 1 A 56 56 ARG CB C 56 32.849 31.189 1.660 1 1 627 . 9 1 1 A 56 56 ARG N N 56 121.194 122.574 -1.380 1 1 629 . 9 1 1 A 57 57 LEU H H 57 9.159 9.218 -0.059 1 1 630 . 9 1 1 A 57 57 LEU HA H 57 4.672 5.010 -0.338 1 1 640 . 9 1 1 A 57 57 LEU CA C 57 53.028 53.683 -0.655 1 1 641 . 9 1 1 A 57 57 LEU CB C 57 46.231 45.937 0.294 1 1 645 . 9 1 1 A 57 57 LEU N N 57 125.694 127.899 -2.205 1 1 646 . 9 1 1 A 58 58 GLU H H 58 8.890 8.790 0.100 1 1 647 . 9 1 1 A 58 58 GLU HA H 58 4.535 4.598 -0.063 1 1 652 . 9 1 1 A 58 58 GLU CA C 58 55.733 55.426 0.307 1 1 653 . 9 1 1 A 58 58 GLU CB C 58 27.970 29.587 -1.617 1 1 655 . 9 1 1 A 58 58 GLU N N 58 127.677 128.326 -0.649 1 1 656 . 9 1 1 A 59 59 SER H H 59 7.772 8.655 -0.883 1 1 657 . 9 1 1 A 59 59 SER HA H 59 4.970 4.845 0.125 1 1 661 . 9 1 1 A 59 59 SER CA C 59 57.576 56.712 0.864 1 1 662 . 9 1 1 A 59 59 SER CB C 59 69.174 66.087 3.087 1 1 663 . 9 1 1 A 59 59 SER N N 59 121.860 120.736 1.124 1 1 664 . 9 1 1 A 60 60 GLN H H 60 9.336 8.564 0.772 1 1 665 . 9 1 1 A 60 60 GLN HA H 60 4.262 4.272 -0.010 1 1 672 . 9 1 1 A 60 60 GLN CA C 60 57.792 57.543 0.249 1 1 673 . 9 1 1 A 60 60 GLN CB C 60 29.669 28.660 1.009 1 1 675 . 9 1 1 A 60 60 GLN N N 60 119.522 118.459 1.063 1 1 677 . 9 1 1 A 61 61 ILE H H 61 8.007 7.598 0.409 1 1 678 . 9 1 1 A 61 61 ILE HA H 61 4.623 4.353 0.270 1 1 688 . 9 1 1 A 61 61 ILE CA C 61 59.813 60.994 -1.181 1 1 689 . 9 1 1 A 61 61 ILE CB C 61 37.013 39.312 -2.299 1 1 693 . 9 1 1 A 61 61 ILE N N 61 109.398 112.223 -2.825 1 1 694 . 9 1 1 A 62 62 GLY H H 62 7.223 7.193 0.030 1 1 695 . 9 1 1 A 62 62 GLY HA2 H 62 4.493 4.023 0.470 1 1 696 . 9 1 1 A 62 62 GLY HA3 H 62 3.872 4.037 -0.165 1 1 697 . 9 1 1 A 62 62 GLY CA C 62 43.022 45.216 -2.194 1 1 698 . 9 1 1 A 62 62 GLY N N 62 109.035 109.106 -0.071 1 1 699 . 9 1 1 A 63 63 THR H H 63 8.910 8.567 0.343 1 1 700 . 9 1 1 A 63 63 THR HA H 63 4.599 4.405 0.194 1 1 705 . 9 1 1 A 63 63 THR CA C 63 64.037 63.490 0.547 1 1 706 . 9 1 1 A 63 63 THR CB C 63 68.111 68.941 -0.830 1 1 708 . 9 1 1 A 63 63 THR N N 63 119.711 116.661 3.050 1 1 709 . 9 1 1 A 64 64 LEU H H 64 9.070 9.034 0.036 1 1 710 . 9 1 1 A 64 64 LEU HA H 64 5.120 5.323 -0.203 1 1 720 . 9 1 1 A 64 64 LEU CA C 64 52.680 52.450 0.230 1 1 721 . 9 1 1 A 64 64 LEU CB C 64 44.749 45.718 -0.969 1 1 725 . 9 1 1 A 64 64 LEU N N 64 127.640 123.781 3.859 1 1 726 . 9 1 1 A 65 65 ARG H H 65 9.271 8.860 0.411 1 1 727 . 9 1 1 A 65 65 ARG HA H 65 4.989 5.020 -0.031 1 1 735 . 9 1 1 A 65 65 ARG CA C 65 54.814 54.712 0.102 1 1 736 . 9 1 1 A 65 65 ARG CB C 65 31.836 32.420 -0.584 1 1 739 . 9 1 1 A 65 65 ARG N N 65 122.680 120.494 2.186 1 1 741 . 9 1 1 A 66 66 MET H H 66 9.310 9.045 0.265 1 1 742 . 9 1 1 A 66 66 MET HA H 66 5.822 5.735 0.087 1 1 747 . 9 1 1 A 66 66 MET CA C 66 53.936 54.110 -0.174 1 1 748 . 9 1 1 A 66 66 MET CB C 66 35.912 35.118 0.794 1 1 750 . 9 1 1 A 66 66 MET N N 66 125.309 126.731 -1.422 1 1 751 . 9 1 1 A 67 67 SER H H 67 8.943 8.489 0.454 1 1 752 . 9 1 1 A 67 67 SER HA H 67 4.660 4.892 -0.232 1 1 755 . 9 1 1 A 67 67 SER CA C 67 57.460 57.000 0.460 1 1 756 . 9 1 1 A 67 67 SER CB C 67 65.747 64.722 1.025 1 1 757 . 9 1 1 A 67 67 SER N N 67 112.115 115.805 -3.690 1 1 758 . 9 1 1 A 68 68 LEU H H 68 8.410 8.808 -0.398 1 1 759 . 9 1 1 A 68 68 LEU HA H 68 5.115 5.089 0.026 1 1 769 . 9 1 1 A 68 68 LEU CA C 68 52.837 53.475 -0.638 1 1 770 . 9 1 1 A 68 68 LEU CB C 68 42.269 42.809 -0.540 1 1 774 . 9 1 1 A 68 68 LEU N N 68 118.367 123.745 -5.378 1 1 775 . 9 1 1 A 69 69 VAL H H 69 9.060 8.237 0.823 1 1 776 . 9 1 1 A 69 69 VAL HA H 69 4.440 4.590 -0.150 1 1 784 . 9 1 1 A 69 69 VAL CA C 69 59.852 59.551 0.301 1 1 785 . 9 1 1 A 69 69 VAL CB C 69 35.349 35.276 0.073 1 1 788 . 9 1 1 A 69 69 VAL N N 69 119.888 118.713 1.175 1 1 789 . 9 1 1 A 70 70 ASN H H 70 8.651 8.791 -0.140 1 1 790 . 9 1 1 A 70 70 ASN HA H 70 4.345 4.271 0.074 1 1 795 . 9 1 1 A 70 70 ASN CA C 70 53.555 54.164 -0.609 1 1 796 . 9 1 1 A 70 70 ASN CB C 70 36.932 36.713 0.219 1 1 797 . 9 1 1 A 70 70 ASN N N 70 119.166 117.824 1.342 1 1 799 . 9 1 1 A 71 71 ILE H H 71 8.449 8.024 0.425 1 1 800 . 9 1 1 A 71 71 ILE HA H 71 4.235 3.976 0.259 1 1 810 . 9 1 1 A 71 71 ILE CA C 71 63.104 61.798 1.306 1 1 811 . 9 1 1 A 71 71 ILE CB C 71 37.200 36.525 0.675 1 1 815 . 9 1 1 A 71 71 ILE N N 71 121.388 119.679 1.709 1 1 816 . 9 1 1 A 72 72 THR H H 72 9.511 8.487 1.024 1 1 817 . 9 1 1 A 72 72 THR HA H 72 4.967 5.092 -0.125 1 1 822 . 9 1 1 A 72 72 THR CA C 72 59.584 58.407 1.177 1 1 823 . 9 1 1 A 72 72 THR CB C 72 71.930 70.455 1.475 1 1 825 . 9 1 1 A 72 72 THR N N 72 125.726 117.140 8.586 1 1 826 . 9 1 1 A 73 73 PRO HA H 73 4.822 4.527 0.295 1 1 833 . 9 1 1 A 73 73 PRO CA C 73 63.362 62.703 0.659 1 1 834 . 9 1 1 A 73 73 PRO CB C 73 32.451 32.993 -0.542 1 1 837 . 9 1 1 A 74 74 ASP H H 74 8.404 9.059 -0.655 1 1 838 . 9 1 1 A 74 74 ASP HA H 74 4.824 5.051 -0.227 1 1 841 . 9 1 1 A 74 74 ASP CA C 74 52.609 52.484 0.125 1 1 842 . 9 1 1 A 74 74 ASP CB C 74 43.743 44.122 -0.379 1 1 843 . 9 1 1 A 74 74 ASP N N 74 122.325 121.553 0.772 1 1 844 . 9 1 1 A 75 75 ALA H H 75 8.539 8.766 -0.227 1 1 845 . 9 1 1 A 75 75 ALA HA H 75 4.062 4.070 -0.008 1 1 849 . 9 1 1 A 75 75 ALA CA C 75 54.431 55.579 -1.148 1 1 850 . 9 1 1 A 75 75 ALA CB C 75 18.117 18.273 -0.156 1 1 851 . 9 1 1 A 75 75 ALA N N 75 123.501 126.417 -2.916 1 1 852 . 9 1 1 A 76 76 ASP H H 76 8.356 7.983 0.373 1 1 853 . 9 1 1 A 76 76 ASP HA H 76 4.815 4.513 0.302 1 1 856 . 9 1 1 A 76 76 ASP CA C 76 53.161 55.894 -2.733 1 1 857 . 9 1 1 A 76 76 ASP CB C 76 41.234 41.686 -0.452 1 1 858 . 9 1 1 A 76 76 ASP N N 76 115.326 117.260 -1.934 1 1 859 . 9 1 1 A 77 77 GLY H H 77 7.569 7.497 0.072 1 1 860 . 9 1 1 A 77 77 GLY HA2 H 77 3.925 4.094 -0.169 1 1 861 . 9 1 1 A 77 77 GLY HA3 H 77 4.508 4.100 0.408 1 1 862 . 9 1 1 A 77 77 GLY CA C 77 46.675 46.150 0.525 1 1 863 . 9 1 1 A 77 77 GLY N N 77 109.452 103.870 5.582 1 1 864 . 9 1 1 A 78 78 THR H H 78 8.272 8.609 -0.337 1 1 865 . 9 1 1 A 78 78 THR HA H 78 4.655 5.031 -0.376 1 1 870 . 9 1 1 A 78 78 THR CA C 78 63.204 61.163 2.041 1 1 871 . 9 1 1 A 78 78 THR CB C 78 72.222 72.220 0.002 1 1 873 . 9 1 1 A 78 78 THR N N 78 122.442 115.477 6.965 1 1 874 . 9 1 1 A 79 79 THR H H 79 9.027 9.177 -0.150 1 1 875 . 9 1 1 A 79 79 THR HA H 79 5.164 5.869 -0.705 1 1 880 . 9 1 1 A 79 79 THR CA C 79 60.303 60.264 0.039 1 1 881 . 9 1 1 A 79 79 THR CB C 79 70.442 70.536 -0.094 1 1 883 . 9 1 1 A 79 79 THR N N 79 121.451 118.221 3.230 1 1 884 . 9 1 1 A 80 80 LEU H H 80 8.698 8.663 0.035 1 1 885 . 9 1 1 A 80 80 LEU HA H 80 4.835 5.188 -0.353 1 1 895 . 9 1 1 A 80 80 LEU CA C 80 54.194 53.069 1.125 1 1 896 . 9 1 1 A 80 80 LEU CB C 80 44.576 45.989 -1.413 1 1 900 . 9 1 1 A 80 80 LEU N N 80 119.374 124.032 -4.658 1 1 901 . 9 1 1 A 81 81 THR H H 81 8.675 8.991 -0.316 1 1 902 . 9 1 1 A 81 81 THR HA H 81 4.740 4.603 0.137 1 1 907 . 9 1 1 A 81 81 THR CA C 81 61.838 62.545 -0.707 1 1 908 . 9 1 1 A 81 81 THR CB C 81 70.190 68.594 1.596 1 1 910 . 9 1 1 A 81 81 THR N N 81 116.982 117.437 -0.455 1 1 911 . 9 1 1 A 82 82 LEU H H 82 8.898 9.155 -0.257 1 1 912 . 9 1 1 A 82 82 LEU HA H 82 4.748 4.797 -0.049 1 1 922 . 9 1 1 A 82 82 LEU CA C 82 53.076 54.550 -1.474 1 1 923 . 9 1 1 A 82 82 LEU CB C 82 43.189 42.840 0.349 1 1 927 . 9 1 1 A 82 82 LEU N N 82 130.905 129.678 1.227 1 1 928 . 9 1 1 A 83 83 ARG H H 83 9.162 8.701 0.461 1 1 929 . 9 1 1 A 83 83 ARG HA H 83 5.174 4.901 0.273 1 1 936 . 9 1 1 A 83 83 ARG CA C 83 54.441 55.730 -1.289 1 1 937 . 9 1 1 A 83 83 ARG CB C 83 31.332 30.921 0.411 1 1 940 . 9 1 1 A 83 83 ARG N N 83 131.064 126.545 4.519 1 1 941 . 9 1 1 A 84 84 ILE H H 84 9.474 9.106 0.368 1 1 942 . 9 1 1 A 84 84 ILE HA H 84 4.611 4.546 0.065 1 1 952 . 9 1 1 A 84 84 ILE CA C 84 60.486 61.143 -0.657 1 1 953 . 9 1 1 A 84 84 ILE CB C 84 40.120 36.734 3.386 1 1 957 . 9 1 1 A 84 84 ILE N N 84 128.394 126.541 1.853 1 1 958 . 9 1 1 A 85 85 GLN H H 85 9.137 8.970 0.167 1 1 959 . 9 1 1 A 85 85 GLN HA H 85 5.457 4.603 0.854 1 1 966 . 9 1 1 A 85 85 GLN CA C 85 53.109 54.766 -1.657 1 1 967 . 9 1 1 A 85 85 GLN CB C 85 32.450 29.248 3.202 1 1 969 . 9 1 1 A 85 85 GLN N N 85 124.857 128.544 -3.687 1 1 971 . 9 1 1 A 86 86 GLY H H 86 9.090 8.712 0.378 1 1 972 . 9 1 1 A 86 86 GLY HA2 H 86 3.813 4.007 -0.194 1 1 973 . 9 1 1 A 86 86 GLY HA3 H 86 4.499 4.014 0.485 1 1 974 . 9 1 1 A 86 86 GLY CA C 86 44.877 45.677 -0.800 1 1 975 . 9 1 1 A 86 86 GLY N N 86 110.702 114.039 -3.337 1 1 976 . 9 1 1 A 87 87 GLU H H 87 8.128 8.580 -0.452 1 1 977 . 9 1 1 A 87 87 GLU HA H 87 4.472 4.333 0.139 1 1 982 . 9 1 1 A 87 87 GLU CA C 87 56.057 56.852 -0.795 1 1 983 . 9 1 1 A 87 87 GLU CB C 87 29.943 30.041 -0.098 1 1 985 . 9 1 1 A 87 87 GLU N N 87 120.445 122.547 -2.102 1 1 986 . 9 1 1 A 88 88 SER H H 88 8.063 7.698 0.365 1 1 987 . 9 1 1 A 88 88 SER HA H 88 4.469 4.540 -0.071 1 1 990 . 9 1 1 A 88 88 SER CA C 88 57.472 56.735 0.737 1 1 991 . 9 1 1 A 88 88 SER CB C 88 63.799 64.841 -1.042 1 1 992 . 9 1 1 A 88 88 SER N N 88 113.821 113.868 -0.047 1 1 993 . 9 1 1 A 89 89 ASN H H 89 8.502 8.901 -0.399 1 1 994 . 9 1 1 A 89 89 ASN HA H 89 4.533 4.593 -0.060 1 1 999 . 9 1 1 A 89 89 ASN CA C 89 53.715 55.368 -1.653 1 1 1000 . 9 1 1 A 89 89 ASN CB C 89 38.212 38.941 -0.729 1 1 1001 . 9 1 1 A 89 89 ASN N N 89 119.482 121.056 -1.574 1 1 1003 . 9 1 1 A 90 90 ASP H H 90 8.104 7.673 0.431 1 1 1004 . 9 1 1 A 90 90 ASP HA H 90 5.061 4.715 0.346 1 1 1007 . 9 1 1 A 90 90 ASP CA C 90 51.392 52.865 -1.473 1 1 1008 . 9 1 1 A 90 90 ASP CB C 90 41.223 40.669 0.554 1 1 1009 . 9 1 1 A 90 90 ASP N N 90 119.891 120.265 -0.374 1 1 1010 . 9 1 1 A 91 91 PRO HA H 91 4.156 4.698 -0.542 1 1 1017 . 9 1 1 A 91 91 PRO CA C 91 62.200 62.740 -0.540 1 1 1018 . 9 1 1 A 91 91 PRO CB C 91 30.844 31.578 -0.734 1 1 1021 . 9 1 1 A 92 92 LEU H H 92 8.206 8.353 -0.147 1 1 1022 . 9 1 1 A 92 92 LEU HA H 92 4.504 4.433 0.071 1 1 1032 . 9 1 1 A 92 92 LEU CA C 92 52.697 53.573 -0.876 1 1 1033 . 9 1 1 A 92 92 LEU CB C 92 41.249 41.541 -0.292 1 1 1037 . 9 1 1 A 92 92 LEU N N 92 123.954 124.333 -0.379 1 1 1038 . 9 1 1 A 93 93 PRO HA H 93 4.808 4.631 0.177 1 1 1045 . 9 1 1 A 93 93 PRO CA C 93 61.122 62.333 -1.211 1 1 1046 . 9 1 1 A 93 93 PRO CB C 93 32.289 32.507 -0.218 1 1 1049 . 9 1 1 A 94 94 ALA H H 94 8.420 8.401 0.019 1 1 1050 . 9 1 1 A 94 94 ALA HA H 94 4.164 4.339 -0.175 1 1 1054 . 9 1 1 A 94 94 ALA CA C 94 52.655 53.321 -0.666 1 1 1055 . 9 1 1 A 94 94 ALA CB C 94 18.563 19.018 -0.455 1 1 1056 . 9 1 1 A 94 94 ALA N N 94 120.368 123.469 -3.101 1 1 1057 . 9 1 1 A 95 95 PHE H H 95 7.961 8.333 -0.372 1 1 1058 . 9 1 1 A 95 95 PHE HA H 95 5.489 5.750 -0.261 1 1 1066 . 9 1 1 A 95 95 PHE CA C 95 56.213 55.459 0.754 1 1 1067 . 9 1 1 A 95 95 PHE CB C 95 41.552 42.598 -1.046 1 1 1071 . 9 1 1 A 95 95 PHE N N 95 115.209 117.118 -1.909 1 1 1072 . 9 1 1 A 96 96 SER H H 96 9.231 9.244 -0.013 1 1 1073 . 9 1 1 A 96 96 SER HA H 96 5.427 5.526 -0.099 1 1 1076 . 9 1 1 A 96 96 SER CA C 96 55.549 56.379 -0.830 1 1 1077 . 9 1 1 A 96 96 SER CB C 96 66.681 66.336 0.345 1 1 1078 . 9 1 1 A 96 96 SER N N 96 114.106 114.336 -0.230 1 1 1079 . 9 1 1 A 97 97 GLY H H 97 8.269 8.216 0.053 1 1 1080 . 9 1 1 A 97 97 GLY HA2 H 97 4.612 4.108 0.504 1 1 1081 . 9 1 1 A 97 97 GLY HA3 H 97 3.571 4.122 -0.551 1 1 1082 . 9 1 1 A 97 97 GLY CA C 97 45.139 45.866 -0.727 1 1 1083 . 9 1 1 A 97 97 GLY N N 97 104.730 107.043 -2.313 1 1 1084 . 9 1 1 A 98 98 THR H H 98 8.068 8.255 -0.187 1 1 1085 . 9 1 1 A 98 98 THR HA H 98 4.836 5.087 -0.251 1 1 1090 . 9 1 1 A 98 98 THR CA C 98 62.462 61.202 1.260 1 1 1091 . 9 1 1 A 98 98 THR CB C 98 70.240 70.418 -0.178 1 1 1093 . 9 1 1 A 98 98 THR N N 98 115.596 115.839 -0.243 1 1 1094 . 9 1 1 A 99 99 VAL H H 99 9.016 9.423 -0.407 1 1 1095 . 9 1 1 A 99 99 VAL HA H 99 5.040 5.249 -0.209 1 1 1103 . 9 1 1 A 99 99 VAL CA C 99 59.695 59.411 0.284 1 1 1104 . 9 1 1 A 99 99 VAL CB C 99 33.810 34.734 -0.924 1 1 1107 . 9 1 1 A 99 99 VAL N N 99 124.571 121.376 3.195 1 1 1108 . 9 1 1 A 100 100 GLU H H 100 9.595 9.249 0.346 1 1 1109 . 9 1 1 A 100 100 GLU HA H 100 5.463 4.841 0.622 1 1 1114 . 9 1 1 A 100 100 GLU CA C 100 53.132 55.628 -2.496 1 1 1115 . 9 1 1 A 100 100 GLU CB C 100 31.806 30.184 1.622 1 1 1117 . 9 1 1 A 100 100 GLU N N 100 125.607 124.053 1.554 1 1 1118 . 9 1 1 A 101 101 TYR H H 101 8.576 8.576 0.000 1 1 1119 . 9 1 1 A 101 101 TYR HA H 101 4.568 5.655 -1.087 1 1 1126 . 9 1 1 A 101 101 TYR CA C 101 54.809 55.166 -0.357 1 1 1127 . 9 1 1 A 101 101 TYR CB C 101 39.516 41.132 -1.616 1 1 1130 . 9 1 1 A 101 101 TYR N N 101 117.224 122.590 -5.366 1 1 1131 . 9 1 1 A 102 102 GLY H H 102 6.489 7.439 -0.950 1 1 1132 . 9 1 1 A 102 102 GLY HA2 H 102 3.948 4.111 -0.163 1 1 1133 . 9 1 1 A 102 102 GLY HA3 H 102 4.190 4.182 0.008 1 1 1134 . 9 1 1 A 102 102 GLY CA C 102 46.509 45.904 0.605 1 1 1135 . 9 1 1 A 102 102 GLY N N 102 103.890 106.597 -2.707 1 1 1136 . 9 1 1 A 103 103 GLN H H 103 8.789 8.783 0.006 1 1 1137 . 9 1 1 A 103 103 GLN HA H 103 4.893 5.382 -0.489 1 1 1144 . 9 1 1 A 103 103 GLN CA C 103 54.742 54.236 0.506 1 1 1145 . 9 1 1 A 103 103 GLN CB C 103 31.972 32.833 -0.861 1 1 1147 . 9 1 1 A 103 103 GLN N N 103 121.055 120.606 0.449 1 1 1149 . 9 1 1 A 104 104 ILE H H 104 8.877 9.048 -0.171 1 1 1150 . 9 1 1 A 104 104 ILE HA H 104 5.033 4.902 0.131 1 1 1160 . 9 1 1 A 104 104 ILE CA C 104 59.495 60.575 -1.080 1 1 1161 . 9 1 1 A 104 104 ILE CB C 104 40.485 40.112 0.373 1 1 1165 . 9 1 1 A 104 104 ILE N N 104 119.483 121.216 -1.733 1 1 1166 . 9 1 1 A 105 105 GLN H H 105 8.807 8.458 0.349 1 1 1167 . 9 1 1 A 105 105 GLN HA H 105 4.785 4.555 0.230 1 1 1174 . 9 1 1 A 105 105 GLN CA C 105 53.586 55.413 -1.827 1 1 1175 . 9 1 1 A 105 105 GLN CB C 105 32.029 28.399 3.630 1 1 1177 . 9 1 1 A 105 105 GLN N N 105 126.014 123.716 2.298 1 1 1179 . 9 1 1 A 106 106 GLY H H 106 8.680 7.468 1.212 1 1 1180 . 9 1 1 A 106 106 GLY HA2 H 106 4.878 4.190 0.688 1 1 1181 . 9 1 1 A 106 106 GLY HA3 H 106 3.898 4.201 -0.303 1 1 1182 . 9 1 1 A 106 106 GLY CA C 106 43.994 46.041 -2.047 1 1 1183 . 9 1 1 A 106 106 GLY N N 106 111.899 109.099 2.800 1 1 1184 . 9 1 1 A 107 107 THR H H 107 7.984 8.490 -0.506 1 1 1185 . 9 1 1 A 107 107 THR HA H 107 4.571 5.083 -0.512 1 1 1190 . 9 1 1 A 107 107 THR CA C 107 59.611 59.924 -0.313 1 1 1191 . 9 1 1 A 107 107 THR CB C 107 71.146 72.532 -1.386 1 1 1193 . 9 1 1 A 107 107 THR N N 107 111.498 112.352 -0.854 1 1 1194 . 9 1 1 A 108 108 ILE H H 108 8.345 9.125 -0.780 1 1 1195 . 9 1 1 A 108 108 ILE HA H 108 3.775 3.795 -0.020 1 1 1205 . 9 1 1 A 108 108 ILE CA C 108 62.916 65.021 -2.105 1 1 1206 . 9 1 1 A 108 108 ILE CB C 108 37.737 37.105 0.632 1 1 1210 . 9 1 1 A 108 108 ILE N N 108 117.576 122.699 -5.123 1 1 1211 . 9 1 1 A 109 109 ASP H H 109 7.753 8.110 -0.357 1 1 1212 . 9 1 1 A 109 109 ASP HA H 109 4.564 4.484 0.080 1 1 1215 . 9 1 1 A 109 109 ASP CA C 109 54.540 56.733 -2.193 1 1 1216 . 9 1 1 A 109 109 ASP CB C 109 41.360 41.099 0.261 1 1 1217 . 9 1 1 A 109 109 ASP N N 109 116.045 120.770 -4.725 1 1 1218 . 9 1 1 A 110 110 ASN H H 110 7.719 7.717 0.002 1 1 1219 . 9 1 1 A 110 110 ASN HA H 110 4.723 4.922 -0.199 1 1 1224 . 9 1 1 A 110 110 ASN CA C 110 53.036 52.106 0.930 1 1 1225 . 9 1 1 A 110 110 ASN CB C 110 38.443 38.834 -0.391 1 1 1226 . 9 1 1 A 110 110 ASN N N 110 119.075 113.535 5.540 1 1 1228 . 9 1 1 A 111 111 PHE H H 111 7.977 8.417 -0.440 1 1 1229 . 9 1 1 A 111 111 PHE HA H 111 5.249 5.425 -0.176 1 1 1237 . 9 1 1 A 111 111 PHE CA C 111 56.627 55.444 1.183 1 1 1238 . 9 1 1 A 111 111 PHE CB C 111 40.215 40.562 -0.347 1 1 1242 . 9 1 1 A 111 111 PHE N N 111 122.138 119.858 2.280 1 1 1243 . 9 1 1 A 112 112 GLN H H 112 8.715 8.876 -0.161 1 1 1244 . 9 1 1 A 112 112 GLN HA H 112 4.540 4.792 -0.252 1 1 1251 . 9 1 1 A 112 112 GLN CA C 112 54.035 54.039 -0.004 1 1 1252 . 9 1 1 A 112 112 GLN CB C 112 31.861 31.215 0.646 1 1 1254 . 9 1 1 A 112 112 GLN N N 112 119.575 121.429 -1.854 1 1 1256 . 9 1 1 A 113 113 GLU H H 113 8.546 8.816 -0.270 1 1 1257 . 9 1 1 A 113 113 GLU HA H 113 4.780 4.727 0.053 1 1 1262 . 9 1 1 A 113 113 GLU CA C 113 55.412 56.468 -1.056 1 1 1263 . 9 1 1 A 113 113 GLU CB C 113 29.886 30.238 -0.352 1 1 1265 . 9 1 1 A 113 113 GLU N N 113 122.846 124.051 -1.205 1 1 1266 . 9 1 1 A 114 114 ILE H H 114 8.913 8.756 0.157 1 1 1267 . 9 1 1 A 114 114 ILE HA H 114 4.662 4.691 -0.029 1 1 1277 . 9 1 1 A 114 114 ILE CA C 114 59.144 59.113 0.031 1 1 1278 . 9 1 1 A 114 114 ILE CB C 114 41.873 41.312 0.561 1 1 1282 . 9 1 1 A 114 114 ILE N N 114 120.222 119.838 0.384 1 1 1283 . 9 1 1 A 115 115 ASN H H 115 8.916 8.737 0.179 1 1 1284 . 9 1 1 A 115 115 ASN HA H 115 4.340 4.177 0.163 1 1 1289 . 9 1 1 A 115 115 ASN CA C 115 53.444 54.175 -0.731 1 1 1290 . 9 1 1 A 115 115 ASN CB C 115 36.467 37.141 -0.674 1 1 1291 . 9 1 1 A 115 115 ASN N N 115 120.916 118.882 2.034 1 1 1293 . 9 1 1 A 116 116 VAL H H 116 8.044 7.822 0.222 1 1 1294 . 9 1 1 A 116 116 VAL HA H 116 4.389 4.462 -0.073 1 1 1302 . 9 1 1 A 116 116 VAL CA C 116 63.183 60.898 2.285 1 1 1303 . 9 1 1 A 116 116 VAL CB C 116 32.216 32.669 -0.453 1 1 1306 . 9 1 1 A 116 116 VAL N N 116 117.046 118.510 -1.464 1 1 1307 . 9 1 1 A 117 117 GLN H H 117 8.582 8.459 0.123 1 1 1308 . 9 1 1 A 117 117 GLN HA H 117 4.550 4.615 -0.065 1 1 1315 . 9 1 1 A 117 117 GLN CA C 117 53.827 53.971 -0.144 1 1 1316 . 9 1 1 A 117 117 GLN CB C 117 33.119 30.821 2.298 1 1 1318 . 9 1 1 A 117 117 GLN N N 117 127.086 126.923 0.163 1 1 1320 . 9 1 1 A 118 118 ASN H H 118 8.330 8.920 -0.590 1 1 1321 . 9 1 1 A 118 118 ASN HA H 118 5.845 5.903 -0.058 1 1 1326 . 9 1 1 A 118 118 ASN CA C 118 51.736 51.705 0.031 1 1 1327 . 9 1 1 A 118 118 ASN CB C 118 42.644 40.204 2.440 1 1 1328 . 9 1 1 A 118 118 ASN N N 118 113.251 118.697 -5.446 1 1 1330 . 9 1 1 A 119 119 GLN H H 119 9.187 9.089 0.098 1 1 1331 . 9 1 1 A 119 119 GLN HA H 119 4.693 5.113 -0.420 1 1 1338 . 9 1 1 A 119 119 GLN CA C 119 55.160 54.603 0.557 1 1 1339 . 9 1 1 A 119 119 GLN CB C 119 34.157 31.887 2.270 1 1 1341 . 9 1 1 A 119 119 GLN N N 119 116.799 125.095 -8.296 1 1 1343 . 9 1 1 A 120 120 LEU H H 120 8.544 9.162 -0.618 1 1 1344 . 9 1 1 A 120 120 LEU HA H 120 5.059 5.078 -0.019 1 1 1354 . 9 1 1 A 120 120 LEU CA C 120 54.327 53.526 0.801 1 1 1355 . 9 1 1 A 120 120 LEU CB C 120 42.839 42.599 0.240 1 1 1359 . 9 1 1 A 120 120 LEU N N 120 123.292 126.007 -2.715 1 1 1360 . 9 1 1 A 121 121 ILE H H 121 8.657 8.857 -0.200 1 1 1361 . 9 1 1 A 121 121 ILE HA H 121 4.778 4.723 0.055 1 1 1371 . 9 1 1 A 121 121 ILE CA C 121 58.770 60.036 -1.266 1 1 1372 . 9 1 1 A 121 121 ILE CB C 121 41.582 38.869 2.713 1 1 1376 . 9 1 1 A 121 121 ILE N N 121 116.046 123.096 -7.050 1 1 1377 . 9 1 1 A 122 122 ASN H H 122 8.329 8.969 -0.640 1 1 1378 . 9 1 1 A 122 122 ASN HA H 122 5.068 5.230 -0.162 1 1 1383 . 9 1 1 A 122 122 ASN CA C 122 52.654 52.056 0.598 1 1 1384 . 9 1 1 A 122 122 ASN CB C 122 42.112 39.938 2.174 1 1 1385 . 9 1 1 A 122 122 ASN N N 122 118.416 125.416 -7.000 1 1 1387 . 9 1 1 A 123 123 ALA H H 123 8.547 8.435 0.112 1 1 1388 . 9 1 1 A 123 123 ALA HA H 123 4.597 4.708 -0.111 1 1 1392 . 9 1 1 A 123 123 ALA CA C 123 48.537 49.506 -0.969 1 1 1393 . 9 1 1 A 123 123 ALA CB C 123 19.998 19.486 0.512 1 1 1394 . 9 1 1 A 123 123 ALA N N 123 124.108 127.333 -3.225 1 1 1395 . 9 1 1 A 124 124 PRO HA H 124 4.537 4.466 0.071 1 1 1402 . 9 1 1 A 124 124 PRO CA C 124 60.979 62.452 -1.473 1 1 1403 . 9 1 1 A 124 124 PRO CB C 124 32.285 31.903 0.382 1 1 1406 . 9 1 1 A 125 125 ALA H H 125 8.587 8.271 0.316 1 1 1407 . 9 1 1 A 125 125 ALA HA H 125 3.899 4.363 -0.464 1 1 1411 . 9 1 1 A 125 125 ALA CA C 125 52.692 52.851 -0.159 1 1 1412 . 9 1 1 A 125 125 ALA CB C 125 18.631 19.282 -0.651 1 1 1413 . 9 1 1 A 125 125 ALA N N 125 121.333 125.061 -3.728 1 1 1414 . 9 1 1 A 126 126 SER H H 126 8.227 9.081 -0.854 1 1 1415 . 9 1 1 A 126 126 SER HA H 126 4.616 4.532 0.084 1 1 1418 . 9 1 1 A 126 126 SER CA C 126 59.168 57.501 1.667 1 1 1419 . 9 1 1 A 126 126 SER CB C 126 64.636 60.765 3.871 1 1 1420 . 9 1 1 A 126 126 SER N N 126 118.947 118.155 0.792 1 1 1421 . 9 1 1 A 127 127 VAL H H 127 8.595 7.689 0.906 1 1 1422 . 9 1 1 A 127 127 VAL HA H 127 4.276 3.917 0.359 1 1 1430 . 9 1 1 A 127 127 VAL CA C 127 62.194 64.703 -2.509 1 1 1431 . 9 1 1 A 127 127 VAL CB C 127 32.852 31.684 1.168 1 1 1434 . 9 1 1 A 127 127 VAL N N 127 117.209 122.581 -5.372 1 1 1435 . 9 1 1 A 128 128 LEU H H 128 7.844 7.592 0.252 1 1 1436 . 9 1 1 A 128 128 LEU HA H 128 4.588 4.781 -0.193 1 1 1446 . 9 1 1 A 128 128 LEU CA C 128 53.639 52.901 0.738 1 1 1447 . 9 1 1 A 128 128 LEU CB C 128 44.574 44.798 -0.224 1 1 1451 . 9 1 1 A 128 128 LEU N N 128 121.103 122.101 -0.998 1 1 1452 . 9 1 1 A 129 129 ALA H H 129 8.377 8.795 -0.418 1 1 1453 . 9 1 1 A 129 129 ALA HA H 129 4.538 4.821 -0.283 1 1 1457 . 9 1 1 A 129 129 ALA CA C 129 53.476 49.342 4.134 1 1 1458 . 9 1 1 A 129 129 ALA CB C 129 20.982 21.683 -0.701 1 1 1459 . 9 1 1 A 129 129 ALA N N 129 123.679 124.429 -0.750 1 1 1460 . 9 1 1 A 130 130 PRO HA H 130 4.669 4.880 -0.211 1 1 1467 . 9 1 1 A 130 130 PRO CA C 130 62.314 62.478 -0.164 1 1 1468 . 9 1 1 A 130 130 PRO CB C 130 33.473 32.605 0.868 1 1 1471 . 9 1 1 A 131 131 SER H H 131 9.365 8.494 0.871 1 1 1472 . 9 1 1 A 131 131 SER HA H 131 4.520 4.697 -0.177 1 1 1475 . 9 1 1 A 131 131 SER CA C 131 59.385 57.888 1.497 1 1 1476 . 9 1 1 A 131 131 SER CB C 131 63.866 63.233 0.633 1 1 1477 . 9 1 1 A 131 131 SER N N 131 122.226 116.839 5.387 1 1 1478 . 9 1 1 A 132 132 ASP H H 132 8.608 9.018 -0.410 1 1 1479 . 9 1 1 A 132 132 ASP HA H 132 5.260 5.558 -0.298 1 1 1482 . 9 1 1 A 132 132 ASP CA C 132 53.345 53.274 0.071 1 1 1483 . 9 1 1 A 132 132 ASP CB C 132 41.791 43.259 -1.468 1 1 1484 . 9 1 1 A 132 132 ASP N N 132 124.814 124.733 0.081 1 1 1485 . 9 1 1 A 133 133 VAL H H 133 9.405 8.911 0.494 1 1 1486 . 9 1 1 A 133 133 VAL HA H 133 4.226 4.962 -0.736 1 1 1494 . 9 1 1 A 133 133 VAL CA C 133 61.669 59.974 1.695 1 1 1495 . 9 1 1 A 133 133 VAL CB C 133 34.448 35.658 -1.210 1 1 1498 . 9 1 1 A 133 133 VAL N N 133 127.192 123.838 3.354 1 1 1499 . 9 1 1 A 134 134 ASP H H 134 8.468 9.196 -0.728 1 1 1500 . 9 1 1 A 134 134 ASP HA H 134 5.368 5.737 -0.369 1 1 1503 . 9 1 1 A 134 134 ASP CA C 134 52.326 52.938 -0.612 1 1 1504 . 9 1 1 A 134 134 ASP CB C 134 41.245 43.962 -2.717 1 1 1505 . 9 1 1 A 134 134 ASP N N 134 127.161 123.684 3.477 1 1 1506 . 9 1 1 A 135 135 ILE H H 135 9.406 9.020 0.386 1 1 1507 . 9 1 1 A 135 135 ILE HA H 135 4.636 4.866 -0.230 1 1 1517 . 9 1 1 A 135 135 ILE CA C 135 57.478 56.906 0.572 1 1 1518 . 9 1 1 A 135 135 ILE CB C 135 39.411 40.298 -0.887 1 1 1522 . 9 1 1 A 135 135 ILE N N 135 125.603 119.436 6.167 1 1 1523 . 9 1 1 A 136 136 PRO HA H 136 4.844 4.837 0.007 1 1 1530 . 9 1 1 A 136 136 PRO CA C 136 62.314 62.266 0.048 1 1 1531 . 9 1 1 A 136 136 PRO CB C 136 31.563 31.755 -0.192 1 1 1534 . 9 1 1 A 137 137 LEU H H 137 9.196 8.894 0.302 1 1 1535 . 9 1 1 A 137 137 LEU HA H 137 4.739 4.526 0.213 1 1 1545 . 9 1 1 A 137 137 LEU CA C 137 53.609 53.939 -0.330 1 1 1546 . 9 1 1 A 137 137 LEU CB C 137 45.473 42.144 3.329 1 1 1550 . 9 1 1 A 137 137 LEU N N 137 124.087 123.720 0.367 1 1 1551 . 9 1 1 A 138 138 GLN H H 138 8.928 8.843 0.085 1 1 1552 . 9 1 1 A 138 138 GLN HA H 138 4.581 4.380 0.201 1 1 1559 . 9 1 1 A 138 138 GLN CA C 138 54.780 54.866 -0.086 1 1 1560 . 9 1 1 A 138 138 GLN CB C 138 29.048 27.890 1.158 1 1 1562 . 9 1 1 A 138 138 GLN N N 138 122.528 125.094 -2.566 1 1 1564 . 9 1 1 A 139 139 LEU H H 139 9.039 8.425 0.614 1 1 1565 . 9 1 1 A 139 139 LEU HA H 139 4.205 4.135 0.070 1 1 1575 . 9 1 1 A 139 139 LEU CA C 139 52.367 54.191 -1.824 1 1 1576 . 9 1 1 A 139 139 LEU CB C 139 38.673 40.757 -2.084 1 1 1580 . 9 1 1 A 139 139 LEU N N 139 127.667 126.669 0.998 1 1 1581 . 9 1 1 A 140 140 LYS H H 140 8.078 8.156 -0.078 1 1 1582 . 9 1 1 A 140 140 LYS HA H 140 4.352 4.524 -0.172 1 1 1591 . 9 1 1 A 140 140 LYS CA C 140 56.826 55.492 1.334 1 1 1592 . 9 1 1 A 140 140 LYS CB C 140 32.657 33.976 -1.319 1 1 1596 . 9 1 1 A 140 140 LYS N N 140 124.108 123.253 0.855 1 1 1597 . 9 1 1 A 141 141 GLY H H 141 9.166 9.255 -0.089 1 1 1598 . 9 1 1 A 141 141 GLY HA2 H 141 3.788 3.939 -0.151 1 1 1599 . 9 1 1 A 141 141 GLY HA3 H 141 4.119 3.952 0.167 1 1 1600 . 9 1 1 A 141 141 GLY CA C 141 45.682 46.390 -0.708 1 1 1601 . 9 1 1 A 141 141 GLY N N 141 110.698 111.701 -1.003 1 1 1602 . 9 1 1 A 142 142 ILE H H 142 7.112 7.755 -0.643 1 1 1603 . 9 1 1 A 142 142 ILE HA H 142 4.600 4.623 -0.023 1 1 1613 . 9 1 1 A 142 142 ILE CA C 142 58.547 60.264 -1.717 1 1 1614 . 9 1 1 A 142 142 ILE CB C 142 40.437 41.826 -1.389 1 1 1618 . 9 1 1 A 142 142 ILE N N 142 117.928 119.894 -1.966 1 1 1619 . 9 1 1 A 143 143 SER H H 143 8.381 8.958 -0.577 1 1 1620 . 9 1 1 A 143 143 SER HA H 143 4.613 4.491 0.122 1 1 1623 . 9 1 1 A 143 143 SER CA C 143 56.654 58.901 -2.247 1 1 1624 . 9 1 1 A 143 143 SER CB C 143 65.051 63.821 1.230 1 1 1625 . 9 1 1 A 143 143 SER N N 143 123.373 123.964 -0.591 1 1 1626 . 9 1 1 A 144 144 VAL H H 144 8.702 8.553 0.149 1 1 1627 . 9 1 1 A 144 144 VAL HA H 144 3.593 3.891 -0.298 1 1 1635 . 9 1 1 A 144 144 VAL CA C 144 65.655 65.034 0.621 1 1 1636 . 9 1 1 A 144 144 VAL CB C 144 31.434 31.780 -0.346 1 1 1639 . 9 1 1 A 144 144 VAL N N 144 120.791 126.274 -5.483 1 1 1640 . 9 1 1 A 145 145 ASP H H 145 8.151 8.123 0.028 1 1 1641 . 9 1 1 A 145 145 ASP HA H 145 4.435 4.379 0.056 1 1 1644 . 9 1 1 A 145 145 ASP CA C 145 55.211 56.973 -1.762 1 1 1645 . 9 1 1 A 145 145 ASP CB C 145 40.268 40.779 -0.511 1 1 1646 . 9 1 1 A 145 145 ASP N N 145 115.698 120.879 -5.181 1 1 1647 . 9 1 1 A 146 146 GLN H H 146 7.553 7.540 0.013 1 1 1648 . 9 1 1 A 146 146 GLN HA H 146 4.302 4.397 -0.095 1 1 1655 . 9 1 1 A 146 146 GLN CA C 146 55.072 55.670 -0.598 1 1 1656 . 9 1 1 A 146 146 GLN CB C 146 29.990 29.453 0.537 1 1 1658 . 9 1 1 A 146 146 GLN N N 146 117.118 115.881 1.237 1 1 1660 . 9 1 1 A 147 147 LEU H H 147 7.368 7.101 0.267 1 1 1661 . 9 1 1 A 147 147 LEU HA H 147 4.119 4.229 -0.110 1 1 1671 . 9 1 1 A 147 147 LEU CA C 147 54.904 55.418 -0.514 1 1 1672 . 9 1 1 A 147 147 LEU CB C 147 40.355 42.814 -2.459 1 1 1676 . 9 1 1 A 147 147 LEU N N 147 121.541 122.140 -0.599 1 1 1677 . 9 1 1 A 148 148 GLY H H 148 8.791 8.662 0.129 1 1 1678 . 9 1 1 A 148 148 GLY HA2 H 148 4.512 3.984 0.528 1 1 1679 . 9 1 1 A 148 148 GLY HA3 H 148 3.997 4.053 -0.056 1 1 1680 . 9 1 1 A 148 148 GLY CA C 148 45.610 47.006 -1.396 1 1 1681 . 9 1 1 A 148 148 GLY N N 148 116.322 112.837 3.485 1 1 1682 . 9 1 1 A 149 149 PHE H H 149 7.790 7.779 0.011 1 1 1683 . 9 1 1 A 149 149 PHE HA H 149 5.215 5.345 -0.130 1 1 1691 . 9 1 1 A 149 149 PHE CA C 149 56.942 55.974 0.968 1 1 1692 . 9 1 1 A 149 149 PHE CB C 149 42.019 43.021 -1.002 1 1 1696 . 9 1 1 A 149 149 PHE N N 149 113.675 113.213 0.462 1 1 1697 . 9 1 1 A 150 150 VAL H H 150 8.549 9.063 -0.514 1 1 1698 . 9 1 1 A 150 150 VAL HA H 150 4.776 4.825 -0.049 1 1 1706 . 9 1 1 A 150 150 VAL CA C 150 61.068 61.479 -0.411 1 1 1707 . 9 1 1 A 150 150 VAL CB C 150 34.594 34.169 0.425 1 1 1710 . 9 1 1 A 150 150 VAL N N 150 118.208 120.222 -2.014 1 1 1711 . 9 1 1 A 151 151 ARG H H 151 9.953 9.389 0.564 1 1 1712 . 9 1 1 A 151 151 ARG HA H 151 5.783 5.026 0.757 1 1 1719 . 9 1 1 A 151 151 ARG CA C 151 53.530 55.685 -2.155 1 1 1720 . 9 1 1 A 151 151 ARG CB C 151 33.540 30.994 2.546 1 1 1723 . 9 1 1 A 151 151 ARG N N 151 128.446 126.948 1.498 1 1 1724 . 9 1 1 A 152 152 ILE H H 152 8.905 8.876 0.029 1 1 1725 . 9 1 1 A 152 152 ILE HA H 152 5.188 4.873 0.315 1 1 1735 . 9 1 1 A 152 152 ILE CA C 152 60.464 60.486 -0.022 1 1 1736 . 9 1 1 A 152 152 ILE CB C 152 39.542 38.506 1.036 1 1 1740 . 9 1 1 A 152 152 ILE N N 152 127.149 125.870 1.279 1 1 1741 . 9 1 1 A 153 153 HIS H H 153 8.941 8.190 0.751 1 1 1742 . 9 1 1 A 153 153 HIS HA H 153 5.074 4.898 0.176 1 1 1747 . 9 1 1 A 153 153 HIS CA C 153 53.417 54.584 -1.167 1 1 1748 . 9 1 1 A 153 153 HIS CB C 153 31.734 32.176 -0.442 1 1 1751 . 9 1 1 A 153 153 HIS N N 153 119.132 123.843 -4.711 1 1 1752 . 9 1 1 A 154 154 ASP H H 154 9.109 8.837 0.272 1 1 1753 . 9 1 1 A 154 154 ASP HA H 154 4.276 4.172 0.104 1 1 1756 . 9 1 1 A 154 154 ASP CA C 154 55.630 55.310 0.320 1 1 1757 . 9 1 1 A 154 154 ASP CB C 154 39.450 39.084 0.366 1 1 1758 . 9 1 1 A 154 154 ASP N N 154 116.420 116.534 -0.114 1 1 1759 . 9 1 1 A 155 155 ILE H H 155 8.062 8.054 0.008 1 1 1760 . 9 1 1 A 155 155 ILE HA H 155 5.051 4.439 0.612 1 1 1770 . 9 1 1 A 155 155 ILE CA C 155 59.666 62.029 -2.363 1 1 1771 . 9 1 1 A 155 155 ILE CB C 155 35.757 37.205 -1.448 1 1 1775 . 9 1 1 A 155 155 ILE N N 155 119.131 119.555 -0.424 1 1 1776 . 9 1 1 A 156 156 GLN H H 156 9.011 9.135 -0.124 1 1 1777 . 9 1 1 A 156 156 GLN HA H 156 4.993 4.919 0.074 1 1 1784 . 9 1 1 A 156 156 GLN CA C 156 51.975 52.827 -0.852 1 1 1785 . 9 1 1 A 156 156 GLN CB C 156 31.210 31.908 -0.698 1 1 1787 . 9 1 1 A 156 156 GLN N N 156 127.177 124.253 2.924 1 1 1789 . 9 1 1 A 157 157 PRO HA H 157 4.964 5.067 -0.103 1 1 1796 . 9 1 1 A 157 157 PRO CA C 157 61.770 62.489 -0.719 1 1 1797 . 9 1 1 A 157 157 PRO CB C 157 31.637 31.911 -0.274 1 1 1800 . 9 1 1 A 158 158 VAL H H 158 7.921 8.420 -0.499 1 1 1801 . 9 1 1 A 158 158 VAL HA H 158 4.107 4.087 0.020 1 1 1809 . 9 1 1 A 158 158 VAL CA C 158 62.234 62.370 -0.136 1 1 1810 . 9 1 1 A 158 158 VAL CB C 158 32.610 31.880 0.730 1 1 1813 . 9 1 1 A 158 158 VAL N N 158 121.642 120.284 1.358 1 1 1814 . 9 1 1 A 159 159 MET H H 159 8.544 7.700 0.844 1 1 1815 . 9 1 1 A 159 159 MET HA H 159 4.548 4.457 0.091 1 1 1820 . 9 1 1 A 159 159 MET CA C 159 54.731 54.760 -0.029 1 1 1821 . 9 1 1 A 159 159 MET CB C 159 32.547 32.233 0.314 1 1 1823 . 9 1 1 A 159 159 MET N N 159 124.452 123.271 1.181 1 1 1824 . 9 1 1 A 160 160 GLN H H 160 8.434 9.083 -0.649 1 1 1825 . 9 1 1 A 160 160 GLN HA H 160 4.354 4.534 -0.180 1 1 1832 . 9 1 1 A 160 160 GLN CA C 160 55.399 56.278 -0.879 1 1 1833 . 9 1 1 A 160 160 GLN CB C 160 29.112 28.873 0.239 1 1 1835 . 9 1 1 A 160 160 GLN N N 160 121.917 124.792 -2.875 1 1 1837 . 9 1 1 A 161 161 LEU H H 161 8.325 7.742 0.583 1 1 1838 . 9 1 1 A 161 161 LEU HA H 161 4.314 4.423 -0.109 1 1 1848 . 9 1 1 A 161 161 LEU CA C 161 55.040 54.029 1.011 1 1 1849 . 9 1 1 A 161 161 LEU CB C 161 42.225 41.344 0.881 1 1 1853 . 9 1 1 A 161 161 LEU N N 161 123.826 119.841 3.985 1 1 1854 . 9 1 1 A 162 162 GLU H H 162 8.358 7.522 0.836 1 1 1855 . 9 1 1 A 162 162 GLU HA H 162 4.216 4.309 -0.093 1 1 1860 . 9 1 1 A 162 162 GLU CA C 162 56.343 55.560 0.783 1 1 1861 . 9 1 1 A 162 162 GLU CB C 162 30.083 30.891 -0.808 1 1 1863 . 9 1 1 A 162 162 GLU N N 162 121.293 120.216 1.077 1 1 1864 . 9 1 1 A 163 163 HIS H H 163 8.376 8.943 -0.567 1 1 1865 . 9 1 1 A 163 163 HIS HA H 163 4.641 5.076 -0.435 1 1 1868 . 9 1 1 A 163 163 HIS CA C 163 55.437 55.128 0.309 1 1 1869 . 9 1 1 A 163 163 HIS CB C 163 29.412 29.570 -0.158 1 1 1870 . 9 1 1 A 163 163 HIS N N 163 121.307 118.233 3.074 1 1 1871 . 9 1 1 A 164 164 HIS H H 164 8.289 7.846 0.443 1 1 1872 . 9 1 1 A 164 164 HIS N N 164 125.228 119.519 5.709 1 1 1873 . 9 1 1 A 166 166 HIS HA H 166 4.300 4.932 -0.632 1 1 1876 . 9 1 1 A 166 166 HIS CA C 166 55.708 54.330 1.378 1 1 1877 . 9 1 1 A 166 166 HIS CB C 166 29.207 30.714 -1.507 1 1 1878 . 9 1 1 A 167 167 HIS H H 167 8.591 8.564 0.027 1 1 1879 . 9 1 1 A 167 167 HIS HA H 167 4.541 5.022 -0.481 1 1 1882 . 9 1 1 A 167 167 HIS CA C 167 54.678 54.337 0.341 1 1 1883 . 9 1 1 A 167 167 HIS CB C 167 26.256 30.157 -3.901 1 1 1884 . 9 1 1 A 167 167 HIS N N 167 121.317 122.398 -1.081 1 1 1 . 10 1 1 A 2 2 VAL HA H 2 3.850 4.917 -1.067 1 1 9 . 10 1 1 A 2 2 VAL CA C 2 61.400 59.971 1.429 1 1 10 . 10 1 1 A 2 2 VAL CB C 2 32.400 33.925 -1.525 1 1 13 . 10 1 1 A 3 3 GLN HA H 3 4.445 4.778 -0.333 1 1 18 . 10 1 1 A 3 3 GLN CA C 3 55.467 54.105 1.362 1 1 19 . 10 1 1 A 3 3 GLN CB C 3 29.271 31.549 -2.278 1 1 21 . 10 1 1 A 4 4 GLN H H 4 8.703 8.356 0.347 1 1 22 . 10 1 1 A 4 4 GLN HA H 4 4.356 4.310 0.046 1 1 27 . 10 1 1 A 4 4 GLN CA C 4 55.961 55.914 0.047 1 1 28 . 10 1 1 A 4 4 GLN CB C 4 29.178 27.858 1.320 1 1 30 . 10 1 1 A 4 4 GLN N N 4 123.281 121.867 1.414 1 1 31 . 10 1 1 A 5 5 SER H H 5 8.426 8.540 -0.114 1 1 32 . 10 1 1 A 5 5 SER HA H 5 4.424 4.839 -0.415 1 1 35 . 10 1 1 A 5 5 SER CA C 5 58.498 59.001 -0.503 1 1 36 . 10 1 1 A 5 5 SER CB C 5 63.534 64.106 -0.572 1 1 37 . 10 1 1 A 5 5 SER N N 5 116.845 121.490 -4.645 1 1 38 . 10 1 1 A 6 6 GLU H H 6 8.434 8.574 -0.140 1 1 39 . 10 1 1 A 6 6 GLU HA H 6 4.342 4.837 -0.495 1 1 44 . 10 1 1 A 6 6 GLU CA C 6 56.410 55.290 1.120 1 1 45 . 10 1 1 A 6 6 GLU CB C 6 29.873 32.278 -2.405 1 1 47 . 10 1 1 A 6 6 GLU N N 6 122.965 125.310 -2.345 1 1 48 . 10 1 1 A 7 7 VAL H H 7 8.131 8.635 -0.504 1 1 49 . 10 1 1 A 7 7 VAL HA H 7 4.063 4.853 -0.790 1 1 57 . 10 1 1 A 7 7 VAL CA C 7 62.213 58.766 3.447 1 1 58 . 10 1 1 A 7 7 VAL CB C 7 32.391 35.699 -3.308 1 1 61 . 10 1 1 A 7 7 VAL N N 7 121.508 117.624 3.884 1 1 62 . 10 1 1 A 8 8 ARG H H 8 8.376 8.435 -0.059 1 1 63 . 10 1 1 A 8 8 ARG HA H 8 4.335 4.631 -0.296 1 1 70 . 10 1 1 A 8 8 ARG CA C 8 56.013 55.385 0.628 1 1 71 . 10 1 1 A 8 8 ARG CB C 8 30.528 31.578 -1.050 1 1 74 . 10 1 1 A 8 8 ARG N N 8 124.504 122.322 2.182 1 1 75 . 10 1 1 A 9 9 GLN H H 9 8.360 8.531 -0.171 1 1 76 . 10 1 1 A 9 9 GLN HA H 9 4.353 4.450 -0.097 1 1 81 . 10 1 1 A 9 9 GLN CA C 9 55.446 55.327 0.119 1 1 82 . 10 1 1 A 9 9 GLN CB C 9 29.236 27.736 1.500 1 1 84 . 10 1 1 A 9 9 GLN N N 9 121.537 122.031 -0.494 1 1 85 . 10 1 1 A 10 10 MET H H 10 8.391 7.999 0.392 1 1 86 . 10 1 1 A 10 10 MET HA H 10 4.459 4.523 -0.064 1 1 91 . 10 1 1 A 10 10 MET CA C 10 55.062 55.270 -0.208 1 1 92 . 10 1 1 A 10 10 MET CB C 10 32.482 33.078 -0.596 1 1 94 . 10 1 1 A 10 10 MET N N 10 122.199 123.994 -1.795 1 1 95 . 10 1 1 A 11 11 LYS H H 11 8.317 8.418 -0.101 1 1 96 . 10 1 1 A 11 11 LYS HA H 11 4.296 4.356 -0.060 1 1 105 . 10 1 1 A 11 11 LYS CA C 11 56.114 55.315 0.799 1 1 106 . 10 1 1 A 11 11 LYS CB C 11 32.372 31.101 1.271 1 1 110 . 10 1 1 A 11 11 LYS N N 11 122.440 122.715 -0.275 1 1 111 . 10 1 1 A 12 12 HIS H H 12 8.489 8.228 0.261 1 1 112 . 10 1 1 A 12 12 HIS HA H 12 4.748 5.191 -0.443 1 1 116 . 10 1 1 A 12 12 HIS CA C 12 55.052 54.467 0.585 1 1 117 . 10 1 1 A 12 12 HIS CB C 12 29.094 32.657 -3.563 1 1 119 . 10 1 1 A 12 12 HIS N N 12 119.934 122.645 -2.711 1 1 120 . 10 1 1 A 13 13 SER H H 13 8.401 8.644 -0.243 1 1 121 . 10 1 1 A 13 13 SER HA H 13 4.518 4.821 -0.303 1 1 124 . 10 1 1 A 13 13 SER CA C 13 57.855 56.460 1.395 1 1 125 . 10 1 1 A 13 13 SER CB C 13 63.750 64.697 -0.947 1 1 126 . 10 1 1 A 13 13 SER N N 13 117.596 116.873 0.723 1 1 127 . 10 1 1 A 14 14 VAL H H 14 8.285 8.406 -0.121 1 1 128 . 10 1 1 A 14 14 VAL HA H 14 4.239 4.600 -0.361 1 1 136 . 10 1 1 A 14 14 VAL CA C 14 62.078 61.664 0.414 1 1 137 . 10 1 1 A 14 14 VAL CB C 14 32.564 33.759 -1.195 1 1 140 . 10 1 1 A 14 14 VAL N N 14 121.378 122.556 -1.178 1 1 141 . 10 1 1 A 15 15 SER H H 15 8.419 8.820 -0.401 1 1 142 . 10 1 1 A 15 15 SER HA H 15 4.556 4.769 -0.213 1 1 145 . 10 1 1 A 15 15 SER CA C 15 57.855 57.721 0.134 1 1 146 . 10 1 1 A 15 15 SER CB C 15 63.600 63.057 0.543 1 1 147 . 10 1 1 A 15 15 SER N N 15 119.022 122.602 -3.580 1 1 148 . 10 1 1 A 16 16 THR H H 16 8.189 8.494 -0.305 1 1 149 . 10 1 1 A 16 16 THR HA H 16 4.362 5.173 -0.811 1 1 154 . 10 1 1 A 16 16 THR CA C 16 61.510 60.463 1.047 1 1 155 . 10 1 1 A 16 16 THR CB C 16 69.292 70.052 -0.760 1 1 157 . 10 1 1 A 16 16 THR N N 16 116.040 117.154 -1.114 1 1 158 . 10 1 1 A 17 17 LEU H H 17 8.168 9.002 -0.834 1 1 159 . 10 1 1 A 17 17 LEU HA H 17 4.331 4.896 -0.565 1 1 169 . 10 1 1 A 17 17 LEU CA C 17 55.446 53.259 2.187 1 1 170 . 10 1 1 A 17 17 LEU CB C 17 42.032 44.295 -2.263 1 1 174 . 10 1 1 A 17 17 LEU N N 17 123.796 126.963 -3.167 1 1 175 . 10 1 1 A 18 18 ASN H H 18 8.406 8.788 -0.382 1 1 176 . 10 1 1 A 18 18 ASN HA H 18 4.685 4.661 0.024 1 1 181 . 10 1 1 A 18 18 ASN CA C 18 53.276 53.466 -0.190 1 1 182 . 10 1 1 A 18 18 ASN CB C 18 38.462 38.674 -0.212 1 1 183 . 10 1 1 A 18 18 ASN N N 18 119.197 122.222 -3.025 1 1 185 . 10 1 1 A 19 19 GLN H H 19 8.346 8.252 0.094 1 1 186 . 10 1 1 A 19 19 GLN HA H 19 4.319 4.523 -0.204 1 1 193 . 10 1 1 A 19 19 GLN CA C 19 56.075 54.028 2.047 1 1 194 . 10 1 1 A 19 19 GLN CB C 19 29.077 29.527 -0.450 1 1 196 . 10 1 1 A 19 19 GLN N N 19 120.620 120.857 -0.237 1 1 198 . 10 1 1 A 20 20 GLU H H 20 8.474 8.412 0.062 1 1 199 . 10 1 1 A 20 20 GLU HA H 20 4.269 4.457 -0.188 1 1 204 . 10 1 1 A 20 20 GLU CA C 20 56.932 56.921 0.011 1 1 205 . 10 1 1 A 20 20 GLU CB C 20 29.694 30.030 -0.336 1 1 207 . 10 1 1 A 20 20 GLU N N 20 121.410 120.918 0.492 1 1 208 . 10 1 1 A 21 21 MET H H 21 8.366 8.867 -0.501 1 1 209 . 10 1 1 A 21 21 MET HA H 21 4.538 4.606 -0.068 1 1 214 . 10 1 1 A 21 21 MET CA C 21 55.812 55.381 0.431 1 1 215 . 10 1 1 A 21 21 MET CB C 21 32.188 33.861 -1.673 1 1 217 . 10 1 1 A 21 21 MET N N 21 120.618 127.796 -7.178 1 1 218 . 10 1 1 A 22 22 THR H H 22 8.127 8.619 -0.492 1 1 219 . 10 1 1 A 22 22 THR HA H 22 4.299 4.496 -0.197 1 1 224 . 10 1 1 A 22 22 THR CA C 22 62.287 61.594 0.693 1 1 225 . 10 1 1 A 22 22 THR CB C 22 69.174 71.082 -1.908 1 1 227 . 10 1 1 A 22 22 THR N N 22 114.858 115.314 -0.456 1 1 228 . 10 1 1 A 23 23 GLN H H 23 8.342 8.478 -0.136 1 1 229 . 10 1 1 A 23 23 GLN HA H 23 4.339 4.162 0.177 1 1 236 . 10 1 1 A 23 23 GLN CA C 23 56.148 56.107 0.041 1 1 237 . 10 1 1 A 23 23 GLN CB C 23 29.112 28.959 0.153 1 1 239 . 10 1 1 A 23 23 GLN N N 23 122.047 119.174 2.873 1 1 241 . 10 1 1 A 24 24 LEU H H 24 8.174 8.654 -0.480 1 1 242 . 10 1 1 A 24 24 LEU HA H 24 4.334 5.123 -0.789 1 1 252 . 10 1 1 A 24 24 LEU CA C 24 55.519 53.411 2.108 1 1 253 . 10 1 1 A 24 24 LEU CB C 24 42.146 46.684 -4.538 1 1 257 . 10 1 1 A 24 24 LEU N N 24 122.328 124.367 -2.039 1 1 258 . 10 1 1 A 25 25 ASN H H 25 8.384 8.922 -0.538 1 1 259 . 10 1 1 A 25 25 ASN HA H 25 4.692 4.890 -0.198 1 1 264 . 10 1 1 A 25 25 ASN CA C 25 53.481 52.339 1.142 1 1 265 . 10 1 1 A 25 25 ASN CB C 25 38.445 39.523 -1.078 1 1 266 . 10 1 1 A 25 25 ASN N N 25 119.262 123.328 -4.066 1 1 268 . 10 1 1 A 26 26 GLN H H 26 8.453 8.849 -0.396 1 1 269 . 10 1 1 A 26 26 GLN HA H 26 4.215 3.899 0.316 1 1 276 . 10 1 1 A 26 26 GLN CA C 26 57.037 59.501 -2.464 1 1 277 . 10 1 1 A 26 26 GLN CB C 26 28.996 28.441 0.555 1 1 279 . 10 1 1 A 26 26 GLN N N 26 120.394 121.894 -1.500 1 1 281 . 10 1 1 A 27 27 GLU H H 27 8.501 8.133 0.368 1 1 282 . 10 1 1 A 27 27 GLU HA H 27 4.202 4.078 0.124 1 1 287 . 10 1 1 A 27 27 GLU CA C 27 58.573 59.341 -0.768 1 1 288 . 10 1 1 A 27 27 GLU CB C 27 29.349 29.706 -0.357 1 1 290 . 10 1 1 A 27 27 GLU N N 27 121.130 119.944 1.186 1 1 291 . 10 1 1 A 28 28 THR H H 28 8.032 8.099 -0.067 1 1 292 . 10 1 1 A 28 28 THR HA H 28 4.079 3.989 0.090 1 1 297 . 10 1 1 A 28 28 THR CA C 28 64.762 66.419 -1.657 1 1 298 . 10 1 1 A 28 28 THR CB C 28 68.354 68.150 0.204 1 1 300 . 10 1 1 A 28 28 THR N N 28 114.032 116.898 -2.866 1 1 301 . 10 1 1 A 29 29 VAL H H 29 7.969 8.304 -0.335 1 1 302 . 10 1 1 A 29 29 VAL HA H 29 3.812 3.580 0.232 1 1 310 . 10 1 1 A 29 29 VAL CA C 29 65.572 66.832 -1.260 1 1 311 . 10 1 1 A 29 29 VAL CB C 29 31.624 31.692 -0.068 1 1 314 . 10 1 1 A 29 29 VAL N N 29 122.215 121.699 0.516 1 1 315 . 10 1 1 A 30 30 LYS H H 30 7.910 7.879 0.031 1 1 316 . 10 1 1 A 30 30 LYS HA H 30 4.175 3.898 0.277 1 1 325 . 10 1 1 A 30 30 LYS CA C 30 57.780 60.043 -2.263 1 1 326 . 10 1 1 A 30 30 LYS CB C 30 31.537 32.441 -0.904 1 1 330 . 10 1 1 A 30 30 LYS N N 30 119.387 118.618 0.769 1 1 331 . 10 1 1 A 31 31 ILE H H 31 8.277 8.149 0.128 1 1 332 . 10 1 1 A 31 31 ILE HA H 31 3.602 3.649 -0.047 1 1 342 . 10 1 1 A 31 31 ILE CA C 31 65.712 65.040 0.672 1 1 343 . 10 1 1 A 31 31 ILE CB C 31 38.559 37.601 0.958 1 1 347 . 10 1 1 A 31 31 ILE N N 31 121.053 120.752 0.301 1 1 348 . 10 1 1 A 32 32 THR H H 32 7.896 8.332 -0.436 1 1 349 . 10 1 1 A 32 32 THR HA H 32 4.004 3.861 0.143 1 1 354 . 10 1 1 A 32 32 THR CA C 32 65.922 67.122 -1.200 1 1 355 . 10 1 1 A 32 32 THR CB C 32 68.400 68.137 0.263 1 1 357 . 10 1 1 A 32 32 THR N N 32 115.554 117.150 -1.596 1 1 358 . 10 1 1 A 33 33 GLN H H 33 8.279 8.259 0.020 1 1 359 . 10 1 1 A 33 33 GLN HA H 33 3.887 3.879 0.008 1 1 366 . 10 1 1 A 33 33 GLN CA C 33 59.052 59.132 -0.080 1 1 367 . 10 1 1 A 33 33 GLN CB C 33 27.889 28.272 -0.383 1 1 369 . 10 1 1 A 33 33 GLN N N 33 120.920 120.923 -0.003 1 1 371 . 10 1 1 A 34 34 GLN H H 34 8.671 8.038 0.633 1 1 372 . 10 1 1 A 34 34 GLN HA H 34 3.615 4.043 -0.428 1 1 379 . 10 1 1 A 34 34 GLN CA C 34 60.424 58.803 1.621 1 1 380 . 10 1 1 A 34 34 GLN CB C 34 30.058 28.633 1.425 1 1 382 . 10 1 1 A 34 34 GLN N N 34 120.388 119.025 1.363 1 1 384 . 10 1 1 A 35 35 ASN H H 35 8.636 8.262 0.374 1 1 385 . 10 1 1 A 35 35 ASN HA H 35 4.595 4.446 0.149 1 1 390 . 10 1 1 A 35 35 ASN CA C 35 55.363 56.324 -0.961 1 1 391 . 10 1 1 A 35 35 ASN CB C 35 36.904 37.651 -0.747 1 1 392 . 10 1 1 A 35 35 ASN N N 35 116.477 117.697 -1.220 1 1 394 . 10 1 1 A 36 36 ARG H H 36 8.321 7.909 0.412 1 1 395 . 10 1 1 A 36 36 ARG HA H 36 4.142 4.054 0.088 1 1 402 . 10 1 1 A 36 36 ARG CA C 36 58.582 59.036 -0.454 1 1 403 . 10 1 1 A 36 36 ARG CB C 36 29.712 29.905 -0.193 1 1 406 . 10 1 1 A 36 36 ARG N N 36 121.347 119.827 1.520 1 1 407 . 10 1 1 A 37 37 LEU H H 37 8.251 8.236 0.015 1 1 408 . 10 1 1 A 37 37 LEU HA H 37 3.788 3.775 0.013 1 1 418 . 10 1 1 A 37 37 LEU CA C 37 57.094 57.710 -0.616 1 1 419 . 10 1 1 A 37 37 LEU CB C 37 40.554 40.407 0.147 1 1 423 . 10 1 1 A 37 37 LEU N N 37 120.862 119.512 1.350 1 1 424 . 10 1 1 A 38 38 ASN H H 38 8.047 8.526 -0.479 1 1 425 . 10 1 1 A 38 38 ASN HA H 38 5.134 4.459 0.675 1 1 430 . 10 1 1 A 38 38 ASN CA C 38 54.413 57.122 -2.709 1 1 431 . 10 1 1 A 38 38 ASN CB C 38 38.069 39.695 -1.626 1 1 432 . 10 1 1 A 38 38 ASN N N 38 115.574 118.249 -2.675 1 1 434 . 10 1 1 A 39 39 ALA H H 39 7.878 8.256 -0.378 1 1 435 . 10 1 1 A 39 39 ALA HA H 39 4.342 4.039 0.303 1 1 439 . 10 1 1 A 39 39 ALA CA C 39 53.981 55.169 -1.188 1 1 440 . 10 1 1 A 39 39 ALA CB C 39 18.340 18.403 -0.063 1 1 441 . 10 1 1 A 39 39 ALA N N 39 123.076 121.680 1.396 1 1 442 . 10 1 1 A 40 40 LYS H H 40 7.431 7.876 -0.445 1 1 443 . 10 1 1 A 40 40 LYS HA H 40 4.528 4.221 0.307 1 1 452 . 10 1 1 A 40 40 LYS CA C 40 55.285 58.310 -3.025 1 1 453 . 10 1 1 A 40 40 LYS CB C 40 32.852 32.626 0.226 1 1 457 . 10 1 1 A 40 40 LYS N N 40 114.889 117.077 -2.188 1 1 458 . 10 1 1 A 41 41 SER H H 41 7.671 7.480 0.191 1 1 459 . 10 1 1 A 41 41 SER HA H 41 4.615 4.384 0.231 1 1 462 . 10 1 1 A 41 41 SER CA C 41 58.189 58.290 -0.101 1 1 463 . 10 1 1 A 41 41 SER CB C 41 63.924 64.204 -0.280 1 1 464 . 10 1 1 A 41 41 SER N N 41 114.795 115.571 -0.776 1 1 465 . 10 1 1 A 42 42 SER H H 42 8.927 8.834 0.093 1 1 466 . 10 1 1 A 42 42 SER HA H 42 4.792 4.427 0.365 1 1 469 . 10 1 1 A 42 42 SER CA C 42 58.133 61.785 -3.652 1 1 470 . 10 1 1 A 42 42 SER CB C 42 63.712 63.413 0.299 1 1 471 . 10 1 1 A 42 42 SER N N 42 120.934 123.032 -2.098 1 1 472 . 10 1 1 A 43 43 SER H H 43 8.320 8.104 0.216 1 1 473 . 10 1 1 A 43 43 SER HA H 43 4.654 4.994 -0.340 1 1 476 . 10 1 1 A 43 43 SER CA C 43 57.309 56.583 0.726 1 1 477 . 10 1 1 A 43 43 SER CB C 43 63.151 66.116 -2.965 1 1 478 . 10 1 1 A 43 43 SER N N 43 115.966 112.754 3.212 1 1 479 . 10 1 1 A 44 44 GLY H H 44 8.182 8.322 -0.140 1 1 480 . 10 1 1 A 44 44 GLY HA2 H 44 4.206 4.235 -0.029 1 1 481 . 10 1 1 A 44 44 GLY HA3 H 44 4.399 4.267 0.132 1 1 482 . 10 1 1 A 44 44 GLY CA C 44 44.540 44.181 0.359 1 1 483 . 10 1 1 A 44 44 GLY N N 44 110.764 110.357 0.407 1 1 484 . 10 1 1 A 45 45 VAL H H 45 8.341 8.269 0.072 1 1 485 . 10 1 1 A 45 45 VAL HA H 45 4.845 5.105 -0.260 1 1 493 . 10 1 1 A 45 45 VAL CA C 45 58.981 59.681 -0.700 1 1 494 . 10 1 1 A 45 45 VAL CB C 45 35.239 34.694 0.545 1 1 497 . 10 1 1 A 45 45 VAL N N 45 114.116 115.623 -1.507 1 1 498 . 10 1 1 A 46 46 TYR H H 46 10.501 8.913 1.588 1 1 499 . 10 1 1 A 46 46 TYR HA H 46 5.004 5.207 -0.203 1 1 506 . 10 1 1 A 46 46 TYR CA C 46 58.121 56.972 1.149 1 1 507 . 10 1 1 A 46 46 TYR CB C 46 41.382 40.325 1.057 1 1 510 . 10 1 1 A 46 46 TYR N N 46 123.384 122.218 1.166 1 1 511 . 10 1 1 A 47 47 LEU H H 47 9.364 9.435 -0.071 1 1 512 . 10 1 1 A 47 47 LEU HA H 47 4.695 4.966 -0.271 1 1 522 . 10 1 1 A 47 47 LEU CA C 47 52.769 53.737 -0.968 1 1 523 . 10 1 1 A 47 47 LEU CB C 47 44.689 43.686 1.003 1 1 527 . 10 1 1 A 47 47 LEU N N 47 118.822 124.659 -5.837 1 1 528 . 10 1 1 A 48 48 LEU H H 48 9.128 8.876 0.252 1 1 529 . 10 1 1 A 48 48 LEU HA H 48 5.232 4.812 0.420 1 1 539 . 10 1 1 A 48 48 LEU CA C 48 51.100 52.291 -1.191 1 1 540 . 10 1 1 A 48 48 LEU CB C 48 40.141 41.559 -1.418 1 1 544 . 10 1 1 A 48 48 LEU N N 48 123.384 126.166 -2.782 1 1 545 . 10 1 1 A 49 49 PRO HA H 49 4.090 4.278 -0.188 1 1 552 . 10 1 1 A 49 49 PRO CA C 49 64.912 65.116 -0.204 1 1 553 . 10 1 1 A 49 49 PRO CB C 49 31.607 31.753 -0.146 1 1 556 . 10 1 1 A 50 50 GLY H H 50 9.181 8.511 0.670 1 1 557 . 10 1 1 A 50 50 GLY HA2 H 50 3.933 3.961 -0.028 1 1 558 . 10 1 1 A 50 50 GLY HA3 H 50 4.757 3.965 0.792 1 1 559 . 10 1 1 A 50 50 GLY CA C 50 45.499 45.146 0.353 1 1 560 . 10 1 1 A 50 50 GLY N N 50 106.827 107.047 -0.220 1 1 561 . 10 1 1 A 51 51 ALA H H 51 7.857 7.856 0.001 1 1 562 . 10 1 1 A 51 51 ALA HA H 51 4.264 4.563 -0.299 1 1 566 . 10 1 1 A 51 51 ALA CA C 51 53.156 50.798 2.358 1 1 567 . 10 1 1 A 51 51 ALA CB C 51 18.492 19.253 -0.761 1 1 568 . 10 1 1 A 51 51 ALA N N 51 120.192 122.271 -2.079 1 1 569 . 10 1 1 A 52 52 LYS H H 52 7.787 8.595 -0.808 1 1 570 . 10 1 1 A 52 52 LYS HA H 52 4.094 4.501 -0.407 1 1 579 . 10 1 1 A 52 52 LYS CA C 52 56.979 56.051 0.928 1 1 580 . 10 1 1 A 52 52 LYS CB C 52 30.731 31.259 -0.528 1 1 584 . 10 1 1 A 52 52 LYS N N 52 115.260 123.206 -7.946 1 1 585 . 10 1 1 A 53 53 THR H H 53 8.043 8.305 -0.262 1 1 586 . 10 1 1 A 53 53 THR HA H 53 4.924 5.103 -0.179 1 1 591 . 10 1 1 A 53 53 THR CA C 53 59.565 58.499 1.066 1 1 592 . 10 1 1 A 53 53 THR CB C 53 72.729 70.480 2.249 1 1 594 . 10 1 1 A 53 53 THR N N 53 114.085 113.365 0.720 1 1 595 . 10 1 1 A 54 54 PRO HA H 54 4.860 5.016 -0.156 1 1 602 . 10 1 1 A 54 54 PRO CA C 54 62.176 62.288 -0.112 1 1 603 . 10 1 1 A 54 54 PRO CB C 54 32.820 32.272 0.548 1 1 606 . 10 1 1 A 55 55 ALA H H 55 8.834 8.812 0.022 1 1 607 . 10 1 1 A 55 55 ALA HA H 55 4.824 4.974 -0.150 1 1 611 . 10 1 1 A 55 55 ALA CA C 55 50.500 50.632 -0.132 1 1 612 . 10 1 1 A 55 55 ALA CB C 55 22.858 20.897 1.961 1 1 613 . 10 1 1 A 55 55 ALA N N 55 122.227 125.093 -2.866 1 1 614 . 10 1 1 A 56 56 ARG H H 56 8.445 8.782 -0.337 1 1 615 . 10 1 1 A 56 56 ARG HA H 56 5.262 4.738 0.524 1 1 623 . 10 1 1 A 56 56 ARG CA C 56 54.401 55.682 -1.281 1 1 624 . 10 1 1 A 56 56 ARG CB C 56 32.849 31.122 1.727 1 1 627 . 10 1 1 A 56 56 ARG N N 56 121.194 124.152 -2.958 1 1 629 . 10 1 1 A 57 57 LEU H H 57 9.159 9.119 0.040 1 1 630 . 10 1 1 A 57 57 LEU HA H 57 4.672 4.985 -0.313 1 1 640 . 10 1 1 A 57 57 LEU CA C 57 53.028 53.915 -0.887 1 1 641 . 10 1 1 A 57 57 LEU CB C 57 46.231 44.394 1.837 1 1 645 . 10 1 1 A 57 57 LEU N N 57 125.694 128.859 -3.165 1 1 646 . 10 1 1 A 58 58 GLU H H 58 8.890 8.844 0.046 1 1 647 . 10 1 1 A 58 58 GLU HA H 58 4.535 4.658 -0.123 1 1 652 . 10 1 1 A 58 58 GLU CA C 58 55.733 55.827 -0.094 1 1 653 . 10 1 1 A 58 58 GLU CB C 58 27.970 30.290 -2.320 1 1 655 . 10 1 1 A 58 58 GLU N N 58 127.677 128.158 -0.481 1 1 656 . 10 1 1 A 59 59 SER H H 59 7.772 8.305 -0.533 1 1 657 . 10 1 1 A 59 59 SER HA H 59 4.970 5.021 -0.051 1 1 661 . 10 1 1 A 59 59 SER CA C 59 57.576 56.010 1.566 1 1 662 . 10 1 1 A 59 59 SER CB C 59 69.174 66.016 3.158 1 1 663 . 10 1 1 A 59 59 SER N N 59 121.860 120.971 0.889 1 1 664 . 10 1 1 A 60 60 GLN H H 60 9.336 8.518 0.818 1 1 665 . 10 1 1 A 60 60 GLN HA H 60 4.262 4.353 -0.091 1 1 672 . 10 1 1 A 60 60 GLN CA C 60 57.792 57.061 0.731 1 1 673 . 10 1 1 A 60 60 GLN CB C 60 29.669 28.582 1.087 1 1 675 . 10 1 1 A 60 60 GLN N N 60 119.522 117.574 1.948 1 1 677 . 10 1 1 A 61 61 ILE H H 61 8.007 7.430 0.577 1 1 678 . 10 1 1 A 61 61 ILE HA H 61 4.623 4.376 0.247 1 1 688 . 10 1 1 A 61 61 ILE CA C 61 59.813 61.033 -1.220 1 1 689 . 10 1 1 A 61 61 ILE CB C 61 37.013 39.621 -2.608 1 1 693 . 10 1 1 A 61 61 ILE N N 61 109.398 112.200 -2.802 1 1 694 . 10 1 1 A 62 62 GLY H H 62 7.223 7.185 0.038 1 1 695 . 10 1 1 A 62 62 GLY HA2 H 62 4.493 4.060 0.433 1 1 696 . 10 1 1 A 62 62 GLY HA3 H 62 3.872 4.070 -0.198 1 1 697 . 10 1 1 A 62 62 GLY CA C 62 43.022 45.179 -2.157 1 1 698 . 10 1 1 A 62 62 GLY N N 62 109.035 109.008 0.027 1 1 699 . 10 1 1 A 63 63 THR H H 63 8.910 8.488 0.422 1 1 700 . 10 1 1 A 63 63 THR HA H 63 4.599 4.656 -0.057 1 1 705 . 10 1 1 A 63 63 THR CA C 63 64.037 63.219 0.818 1 1 706 . 10 1 1 A 63 63 THR CB C 63 68.111 69.244 -1.133 1 1 708 . 10 1 1 A 63 63 THR N N 63 119.711 116.703 3.008 1 1 709 . 10 1 1 A 64 64 LEU H H 64 9.070 8.709 0.361 1 1 710 . 10 1 1 A 64 64 LEU HA H 64 5.120 5.259 -0.139 1 1 720 . 10 1 1 A 64 64 LEU CA C 64 52.680 52.727 -0.047 1 1 721 . 10 1 1 A 64 64 LEU CB C 64 44.749 46.174 -1.425 1 1 725 . 10 1 1 A 64 64 LEU N N 64 127.640 122.532 5.108 1 1 726 . 10 1 1 A 65 65 ARG H H 65 9.271 9.098 0.173 1 1 727 . 10 1 1 A 65 65 ARG HA H 65 4.989 5.331 -0.342 1 1 735 . 10 1 1 A 65 65 ARG CA C 65 54.814 54.094 0.720 1 1 736 . 10 1 1 A 65 65 ARG CB C 65 31.836 33.464 -1.628 1 1 739 . 10 1 1 A 65 65 ARG N N 65 122.680 119.736 2.944 1 1 741 . 10 1 1 A 66 66 MET H H 66 9.310 8.920 0.390 1 1 742 . 10 1 1 A 66 66 MET HA H 66 5.822 5.915 -0.093 1 1 747 . 10 1 1 A 66 66 MET CA C 66 53.936 53.990 -0.054 1 1 748 . 10 1 1 A 66 66 MET CB C 66 35.912 37.554 -1.642 1 1 750 . 10 1 1 A 66 66 MET N N 66 125.309 124.395 0.914 1 1 751 . 10 1 1 A 67 67 SER H H 67 8.943 8.643 0.300 1 1 752 . 10 1 1 A 67 67 SER HA H 67 4.660 4.928 -0.268 1 1 755 . 10 1 1 A 67 67 SER CA C 67 57.460 56.770 0.690 1 1 756 . 10 1 1 A 67 67 SER CB C 67 65.747 65.001 0.746 1 1 757 . 10 1 1 A 67 67 SER N N 67 112.115 115.513 -3.398 1 1 758 . 10 1 1 A 68 68 LEU H H 68 8.410 8.720 -0.310 1 1 759 . 10 1 1 A 68 68 LEU HA H 68 5.115 5.135 -0.020 1 1 769 . 10 1 1 A 68 68 LEU CA C 68 52.837 53.666 -0.829 1 1 770 . 10 1 1 A 68 68 LEU CB C 68 42.269 43.180 -0.911 1 1 774 . 10 1 1 A 68 68 LEU N N 68 118.367 123.568 -5.201 1 1 775 . 10 1 1 A 69 69 VAL H H 69 9.060 8.337 0.723 1 1 776 . 10 1 1 A 69 69 VAL HA H 69 4.440 4.607 -0.167 1 1 784 . 10 1 1 A 69 69 VAL CA C 69 59.852 59.571 0.281 1 1 785 . 10 1 1 A 69 69 VAL CB C 69 35.349 35.219 0.130 1 1 788 . 10 1 1 A 69 69 VAL N N 69 119.888 118.843 1.045 1 1 789 . 10 1 1 A 70 70 ASN H H 70 8.651 8.773 -0.122 1 1 790 . 10 1 1 A 70 70 ASN HA H 70 4.345 4.221 0.124 1 1 795 . 10 1 1 A 70 70 ASN CA C 70 53.555 54.005 -0.450 1 1 796 . 10 1 1 A 70 70 ASN CB C 70 36.932 36.727 0.205 1 1 797 . 10 1 1 A 70 70 ASN N N 70 119.166 117.855 1.311 1 1 799 . 10 1 1 A 71 71 ILE H H 71 8.449 8.063 0.386 1 1 800 . 10 1 1 A 71 71 ILE HA H 71 4.235 4.005 0.230 1 1 810 . 10 1 1 A 71 71 ILE CA C 71 63.104 62.227 0.877 1 1 811 . 10 1 1 A 71 71 ILE CB C 71 37.200 37.084 0.116 1 1 815 . 10 1 1 A 71 71 ILE N N 71 121.388 119.491 1.897 1 1 816 . 10 1 1 A 72 72 THR H H 72 9.511 8.657 0.854 1 1 817 . 10 1 1 A 72 72 THR HA H 72 4.967 5.129 -0.162 1 1 822 . 10 1 1 A 72 72 THR CA C 72 59.584 58.445 1.139 1 1 823 . 10 1 1 A 72 72 THR CB C 72 71.930 70.636 1.294 1 1 825 . 10 1 1 A 72 72 THR N N 72 125.726 117.920 7.806 1 1 826 . 10 1 1 A 73 73 PRO HA H 73 4.822 4.544 0.278 1 1 833 . 10 1 1 A 73 73 PRO CA C 73 63.362 62.740 0.622 1 1 834 . 10 1 1 A 73 73 PRO CB C 73 32.451 33.305 -0.854 1 1 837 . 10 1 1 A 74 74 ASP H H 74 8.404 8.678 -0.274 1 1 838 . 10 1 1 A 74 74 ASP HA H 74 4.824 5.073 -0.249 1 1 841 . 10 1 1 A 74 74 ASP CA C 74 52.609 53.225 -0.616 1 1 842 . 10 1 1 A 74 74 ASP CB C 74 43.743 44.208 -0.465 1 1 843 . 10 1 1 A 74 74 ASP N N 74 122.325 121.458 0.867 1 1 844 . 10 1 1 A 75 75 ALA H H 75 8.539 8.828 -0.289 1 1 845 . 10 1 1 A 75 75 ALA HA H 75 4.062 4.005 0.057 1 1 849 . 10 1 1 A 75 75 ALA CA C 75 54.431 55.238 -0.807 1 1 850 . 10 1 1 A 75 75 ALA CB C 75 18.117 18.265 -0.148 1 1 851 . 10 1 1 A 75 75 ALA N N 75 123.501 126.331 -2.830 1 1 852 . 10 1 1 A 76 76 ASP H H 76 8.356 8.115 0.241 1 1 853 . 10 1 1 A 76 76 ASP HA H 76 4.815 4.560 0.255 1 1 856 . 10 1 1 A 76 76 ASP CA C 76 53.161 55.346 -2.185 1 1 857 . 10 1 1 A 76 76 ASP CB C 76 41.234 41.791 -0.557 1 1 858 . 10 1 1 A 76 76 ASP N N 76 115.326 116.523 -1.197 1 1 859 . 10 1 1 A 77 77 GLY H H 77 7.569 7.297 0.272 1 1 860 . 10 1 1 A 77 77 GLY HA2 H 77 3.925 4.090 -0.165 1 1 861 . 10 1 1 A 77 77 GLY HA3 H 77 4.508 4.097 0.411 1 1 862 . 10 1 1 A 77 77 GLY CA C 77 46.675 46.160 0.515 1 1 863 . 10 1 1 A 77 77 GLY N N 77 109.452 103.908 5.544 1 1 864 . 10 1 1 A 78 78 THR H H 78 8.272 8.474 -0.202 1 1 865 . 10 1 1 A 78 78 THR HA H 78 4.655 4.989 -0.334 1 1 870 . 10 1 1 A 78 78 THR CA C 78 63.204 61.144 2.060 1 1 871 . 10 1 1 A 78 78 THR CB C 78 72.222 71.874 0.348 1 1 873 . 10 1 1 A 78 78 THR N N 78 122.442 115.420 7.022 1 1 874 . 10 1 1 A 79 79 THR H H 79 9.027 9.037 -0.010 1 1 875 . 10 1 1 A 79 79 THR HA H 79 5.164 5.713 -0.549 1 1 880 . 10 1 1 A 79 79 THR CA C 79 60.303 60.416 -0.113 1 1 881 . 10 1 1 A 79 79 THR CB C 79 70.442 70.290 0.152 1 1 883 . 10 1 1 A 79 79 THR N N 79 121.451 118.715 2.736 1 1 884 . 10 1 1 A 80 80 LEU H H 80 8.698 8.921 -0.223 1 1 885 . 10 1 1 A 80 80 LEU HA H 80 4.835 5.148 -0.313 1 1 895 . 10 1 1 A 80 80 LEU CA C 80 54.194 53.233 0.961 1 1 896 . 10 1 1 A 80 80 LEU CB C 80 44.576 46.112 -1.536 1 1 900 . 10 1 1 A 80 80 LEU N N 80 119.374 123.745 -4.371 1 1 901 . 10 1 1 A 81 81 THR H H 81 8.675 8.927 -0.252 1 1 902 . 10 1 1 A 81 81 THR HA H 81 4.740 4.886 -0.146 1 1 907 . 10 1 1 A 81 81 THR CA C 81 61.838 62.083 -0.245 1 1 908 . 10 1 1 A 81 81 THR CB C 81 70.190 69.540 0.650 1 1 910 . 10 1 1 A 81 81 THR N N 81 116.982 117.062 -0.080 1 1 911 . 10 1 1 A 82 82 LEU H H 82 8.898 8.876 0.022 1 1 912 . 10 1 1 A 82 82 LEU HA H 82 4.748 4.798 -0.050 1 1 922 . 10 1 1 A 82 82 LEU CA C 82 53.076 54.283 -1.207 1 1 923 . 10 1 1 A 82 82 LEU CB C 82 43.189 43.136 0.053 1 1 927 . 10 1 1 A 82 82 LEU N N 82 130.905 129.958 0.947 1 1 928 . 10 1 1 A 83 83 ARG H H 83 9.162 8.782 0.380 1 1 929 . 10 1 1 A 83 83 ARG HA H 83 5.174 4.876 0.298 1 1 936 . 10 1 1 A 83 83 ARG CA C 83 54.441 54.857 -0.416 1 1 937 . 10 1 1 A 83 83 ARG CB C 83 31.332 32.005 -0.673 1 1 940 . 10 1 1 A 83 83 ARG N N 83 131.064 126.375 4.689 1 1 941 . 10 1 1 A 84 84 ILE H H 84 9.474 9.588 -0.114 1 1 942 . 10 1 1 A 84 84 ILE HA H 84 4.611 5.191 -0.580 1 1 952 . 10 1 1 A 84 84 ILE CA C 84 60.486 59.575 0.911 1 1 953 . 10 1 1 A 84 84 ILE CB C 84 40.120 40.339 -0.219 1 1 957 . 10 1 1 A 84 84 ILE N N 84 128.394 124.893 3.501 1 1 958 . 10 1 1 A 85 85 GLN H H 85 9.137 8.908 0.229 1 1 959 . 10 1 1 A 85 85 GLN HA H 85 5.457 5.308 0.149 1 1 966 . 10 1 1 A 85 85 GLN CA C 85 53.109 53.997 -0.888 1 1 967 . 10 1 1 A 85 85 GLN CB C 85 32.450 32.565 -0.115 1 1 969 . 10 1 1 A 85 85 GLN N N 85 124.857 125.103 -0.246 1 1 971 . 10 1 1 A 86 86 GLY H H 86 9.090 8.597 0.493 1 1 972 . 10 1 1 A 86 86 GLY HA2 H 86 3.813 4.028 -0.215 1 1 973 . 10 1 1 A 86 86 GLY HA3 H 86 4.499 4.045 0.454 1 1 974 . 10 1 1 A 86 86 GLY CA C 86 44.877 45.504 -0.627 1 1 975 . 10 1 1 A 86 86 GLY N N 86 110.702 113.013 -2.311 1 1 976 . 10 1 1 A 87 87 GLU H H 87 8.128 8.454 -0.326 1 1 977 . 10 1 1 A 87 87 GLU HA H 87 4.472 4.301 0.171 1 1 982 . 10 1 1 A 87 87 GLU CA C 87 56.057 57.144 -1.087 1 1 983 . 10 1 1 A 87 87 GLU CB C 87 29.943 29.910 0.033 1 1 985 . 10 1 1 A 87 87 GLU N N 87 120.445 123.394 -2.949 1 1 986 . 10 1 1 A 88 88 SER H H 88 8.063 7.874 0.189 1 1 987 . 10 1 1 A 88 88 SER HA H 88 4.469 4.864 -0.395 1 1 990 . 10 1 1 A 88 88 SER CA C 88 57.472 57.345 0.127 1 1 991 . 10 1 1 A 88 88 SER CB C 88 63.799 65.827 -2.028 1 1 992 . 10 1 1 A 88 88 SER N N 88 113.821 115.410 -1.589 1 1 993 . 10 1 1 A 89 89 ASN H H 89 8.502 8.888 -0.386 1 1 994 . 10 1 1 A 89 89 ASN HA H 89 4.533 4.749 -0.216 1 1 999 . 10 1 1 A 89 89 ASN CA C 89 53.715 52.970 0.745 1 1 1000 . 10 1 1 A 89 89 ASN CB C 89 38.212 37.835 0.377 1 1 1001 . 10 1 1 A 89 89 ASN N N 89 119.482 118.982 0.500 1 1 1003 . 10 1 1 A 90 90 ASP H H 90 8.104 7.692 0.412 1 1 1004 . 10 1 1 A 90 90 ASP HA H 90 5.061 5.023 0.038 1 1 1007 . 10 1 1 A 90 90 ASP CA C 90 51.392 50.671 0.721 1 1 1008 . 10 1 1 A 90 90 ASP CB C 90 41.223 42.177 -0.954 1 1 1009 . 10 1 1 A 90 90 ASP N N 90 119.891 120.044 -0.153 1 1 1010 . 10 1 1 A 91 91 PRO HA H 91 4.156 5.224 -1.068 1 1 1017 . 10 1 1 A 91 91 PRO CA C 91 62.200 62.675 -0.475 1 1 1018 . 10 1 1 A 91 91 PRO CB C 91 30.844 31.767 -0.923 1 1 1021 . 10 1 1 A 92 92 LEU H H 92 8.206 8.392 -0.186 1 1 1022 . 10 1 1 A 92 92 LEU HA H 92 4.504 4.456 0.048 1 1 1032 . 10 1 1 A 92 92 LEU CA C 92 52.697 53.502 -0.805 1 1 1033 . 10 1 1 A 92 92 LEU CB C 92 41.249 41.546 -0.297 1 1 1037 . 10 1 1 A 92 92 LEU N N 92 123.954 124.320 -0.366 1 1 1038 . 10 1 1 A 93 93 PRO HA H 93 4.808 4.685 0.123 1 1 1045 . 10 1 1 A 93 93 PRO CA C 93 61.122 62.342 -1.220 1 1 1046 . 10 1 1 A 93 93 PRO CB C 93 32.289 33.099 -0.810 1 1 1049 . 10 1 1 A 94 94 ALA H H 94 8.420 8.440 -0.020 1 1 1050 . 10 1 1 A 94 94 ALA HA H 94 4.164 4.753 -0.589 1 1 1054 . 10 1 1 A 94 94 ALA CA C 94 52.655 51.402 1.253 1 1 1055 . 10 1 1 A 94 94 ALA CB C 94 18.563 20.709 -2.146 1 1 1056 . 10 1 1 A 94 94 ALA N N 94 120.368 121.615 -1.247 1 1 1057 . 10 1 1 A 95 95 PHE H H 95 7.961 7.980 -0.019 1 1 1058 . 10 1 1 A 95 95 PHE HA H 95 5.489 5.535 -0.046 1 1 1066 . 10 1 1 A 95 95 PHE CA C 95 56.213 55.599 0.614 1 1 1067 . 10 1 1 A 95 95 PHE CB C 95 41.552 42.281 -0.729 1 1 1071 . 10 1 1 A 95 95 PHE N N 95 115.209 117.133 -1.924 1 1 1072 . 10 1 1 A 96 96 SER H H 96 9.231 9.112 0.119 1 1 1073 . 10 1 1 A 96 96 SER HA H 96 5.427 5.601 -0.174 1 1 1076 . 10 1 1 A 96 96 SER CA C 96 55.549 56.787 -1.238 1 1 1077 . 10 1 1 A 96 96 SER CB C 96 66.681 66.317 0.364 1 1 1078 . 10 1 1 A 96 96 SER N N 96 114.106 114.440 -0.334 1 1 1079 . 10 1 1 A 97 97 GLY H H 97 8.269 8.359 -0.090 1 1 1080 . 10 1 1 A 97 97 GLY HA2 H 97 4.612 4.323 0.289 1 1 1081 . 10 1 1 A 97 97 GLY HA3 H 97 3.571 4.344 -0.773 1 1 1082 . 10 1 1 A 97 97 GLY CA C 97 45.139 45.184 -0.045 1 1 1083 . 10 1 1 A 97 97 GLY N N 97 104.730 107.628 -2.898 1 1 1084 . 10 1 1 A 98 98 THR H H 98 8.068 8.092 -0.024 1 1 1085 . 10 1 1 A 98 98 THR HA H 98 4.836 4.877 -0.041 1 1 1090 . 10 1 1 A 98 98 THR CA C 98 62.462 61.715 0.747 1 1 1091 . 10 1 1 A 98 98 THR CB C 98 70.240 69.566 0.674 1 1 1093 . 10 1 1 A 98 98 THR N N 98 115.596 115.564 0.032 1 1 1094 . 10 1 1 A 99 99 VAL H H 99 9.016 9.431 -0.415 1 1 1095 . 10 1 1 A 99 99 VAL HA H 99 5.040 5.098 -0.058 1 1 1103 . 10 1 1 A 99 99 VAL CA C 99 59.695 60.047 -0.352 1 1 1104 . 10 1 1 A 99 99 VAL CB C 99 33.810 33.954 -0.144 1 1 1107 . 10 1 1 A 99 99 VAL N N 99 124.571 123.510 1.061 1 1 1108 . 10 1 1 A 100 100 GLU H H 100 9.595 9.279 0.316 1 1 1109 . 10 1 1 A 100 100 GLU HA H 100 5.463 5.246 0.217 1 1 1114 . 10 1 1 A 100 100 GLU CA C 100 53.132 55.045 -1.913 1 1 1115 . 10 1 1 A 100 100 GLU CB C 100 31.806 32.058 -0.252 1 1 1117 . 10 1 1 A 100 100 GLU N N 100 125.607 125.216 0.391 1 1 1118 . 10 1 1 A 101 101 TYR H H 101 8.576 8.581 -0.005 1 1 1119 . 10 1 1 A 101 101 TYR HA H 101 4.568 5.707 -1.139 1 1 1126 . 10 1 1 A 101 101 TYR CA C 101 54.809 55.245 -0.436 1 1 1127 . 10 1 1 A 101 101 TYR CB C 101 39.516 41.215 -1.699 1 1 1130 . 10 1 1 A 101 101 TYR N N 101 117.224 119.989 -2.765 1 1 1131 . 10 1 1 A 102 102 GLY H H 102 6.489 7.602 -1.113 1 1 1132 . 10 1 1 A 102 102 GLY HA2 H 102 3.948 4.079 -0.131 1 1 1133 . 10 1 1 A 102 102 GLY HA3 H 102 4.190 4.188 0.002 1 1 1134 . 10 1 1 A 102 102 GLY CA C 102 46.509 45.696 0.813 1 1 1135 . 10 1 1 A 102 102 GLY N N 102 103.890 107.350 -3.460 1 1 1136 . 10 1 1 A 103 103 GLN H H 103 8.789 8.970 -0.181 1 1 1137 . 10 1 1 A 103 103 GLN HA H 103 4.893 5.185 -0.292 1 1 1144 . 10 1 1 A 103 103 GLN CA C 103 54.742 54.302 0.440 1 1 1145 . 10 1 1 A 103 103 GLN CB C 103 31.972 32.558 -0.586 1 1 1147 . 10 1 1 A 103 103 GLN N N 103 121.055 119.623 1.432 1 1 1149 . 10 1 1 A 104 104 ILE H H 104 8.877 8.917 -0.040 1 1 1150 . 10 1 1 A 104 104 ILE HA H 104 5.033 4.938 0.095 1 1 1160 . 10 1 1 A 104 104 ILE CA C 104 59.495 60.403 -0.908 1 1 1161 . 10 1 1 A 104 104 ILE CB C 104 40.485 40.309 0.176 1 1 1165 . 10 1 1 A 104 104 ILE N N 104 119.483 121.090 -1.607 1 1 1166 . 10 1 1 A 105 105 GLN H H 105 8.807 8.382 0.425 1 1 1167 . 10 1 1 A 105 105 GLN HA H 105 4.785 4.817 -0.032 1 1 1174 . 10 1 1 A 105 105 GLN CA C 105 53.586 54.631 -1.045 1 1 1175 . 10 1 1 A 105 105 GLN CB C 105 32.029 28.962 3.067 1 1 1177 . 10 1 1 A 105 105 GLN N N 105 126.014 120.857 5.157 1 1 1179 . 10 1 1 A 106 106 GLY H H 106 8.680 7.707 0.973 1 1 1180 . 10 1 1 A 106 106 GLY HA2 H 106 4.878 4.107 0.771 1 1 1181 . 10 1 1 A 106 106 GLY HA3 H 106 3.898 4.175 -0.277 1 1 1182 . 10 1 1 A 106 106 GLY CA C 106 43.994 45.769 -1.775 1 1 1183 . 10 1 1 A 106 106 GLY N N 106 111.899 109.838 2.061 1 1 1184 . 10 1 1 A 107 107 THR H H 107 7.984 8.585 -0.601 1 1 1185 . 10 1 1 A 107 107 THR HA H 107 4.571 4.750 -0.179 1 1 1190 . 10 1 1 A 107 107 THR CA C 107 59.611 60.162 -0.551 1 1 1191 . 10 1 1 A 107 107 THR CB C 107 71.146 70.152 0.994 1 1 1193 . 10 1 1 A 107 107 THR N N 107 111.498 111.899 -0.401 1 1 1194 . 10 1 1 A 108 108 ILE H H 108 8.345 8.845 -0.500 1 1 1195 . 10 1 1 A 108 108 ILE HA H 108 3.775 3.542 0.233 1 1 1205 . 10 1 1 A 108 108 ILE CA C 108 62.916 65.013 -2.097 1 1 1206 . 10 1 1 A 108 108 ILE CB C 108 37.737 37.377 0.360 1 1 1210 . 10 1 1 A 108 108 ILE N N 108 117.576 121.901 -4.325 1 1 1211 . 10 1 1 A 109 109 ASP H H 109 7.753 7.830 -0.077 1 1 1212 . 10 1 1 A 109 109 ASP HA H 109 4.564 4.769 -0.205 1 1 1215 . 10 1 1 A 109 109 ASP CA C 109 54.540 56.298 -1.758 1 1 1216 . 10 1 1 A 109 109 ASP CB C 109 41.360 42.133 -0.773 1 1 1217 . 10 1 1 A 109 109 ASP N N 109 116.045 120.045 -4.000 1 1 1218 . 10 1 1 A 110 110 ASN H H 110 7.719 7.612 0.107 1 1 1219 . 10 1 1 A 110 110 ASN HA H 110 4.723 5.134 -0.411 1 1 1224 . 10 1 1 A 110 110 ASN CA C 110 53.036 51.653 1.383 1 1 1225 . 10 1 1 A 110 110 ASN CB C 110 38.443 39.568 -1.125 1 1 1226 . 10 1 1 A 110 110 ASN N N 110 119.075 114.607 4.468 1 1 1228 . 10 1 1 A 111 111 PHE H H 111 7.977 8.468 -0.491 1 1 1229 . 10 1 1 A 111 111 PHE HA H 111 5.249 5.209 0.040 1 1 1237 . 10 1 1 A 111 111 PHE CA C 111 56.627 56.109 0.518 1 1 1238 . 10 1 1 A 111 111 PHE CB C 111 40.215 41.761 -1.546 1 1 1242 . 10 1 1 A 111 111 PHE N N 111 122.138 118.976 3.162 1 1 1243 . 10 1 1 A 112 112 GLN H H 112 8.715 8.651 0.064 1 1 1244 . 10 1 1 A 112 112 GLN HA H 112 4.540 4.837 -0.297 1 1 1251 . 10 1 1 A 112 112 GLN CA C 112 54.035 54.212 -0.177 1 1 1252 . 10 1 1 A 112 112 GLN CB C 112 31.861 31.644 0.217 1 1 1254 . 10 1 1 A 112 112 GLN N N 112 119.575 119.173 0.402 1 1 1256 . 10 1 1 A 113 113 GLU H H 113 8.546 8.786 -0.240 1 1 1257 . 10 1 1 A 113 113 GLU HA H 113 4.780 4.891 -0.111 1 1 1262 . 10 1 1 A 113 113 GLU CA C 113 55.412 56.370 -0.958 1 1 1263 . 10 1 1 A 113 113 GLU CB C 113 29.886 30.402 -0.516 1 1 1265 . 10 1 1 A 113 113 GLU N N 113 122.846 122.262 0.584 1 1 1266 . 10 1 1 A 114 114 ILE H H 114 8.913 8.333 0.580 1 1 1267 . 10 1 1 A 114 114 ILE HA H 114 4.662 4.633 0.029 1 1 1277 . 10 1 1 A 114 114 ILE CA C 114 59.144 59.486 -0.342 1 1 1278 . 10 1 1 A 114 114 ILE CB C 114 41.873 40.608 1.265 1 1 1282 . 10 1 1 A 114 114 ILE N N 114 120.222 120.662 -0.440 1 1 1283 . 10 1 1 A 115 115 ASN H H 115 8.916 8.742 0.174 1 1 1284 . 10 1 1 A 115 115 ASN HA H 115 4.340 4.160 0.180 1 1 1289 . 10 1 1 A 115 115 ASN CA C 115 53.444 54.035 -0.591 1 1 1290 . 10 1 1 A 115 115 ASN CB C 115 36.467 37.111 -0.644 1 1 1291 . 10 1 1 A 115 115 ASN N N 115 120.916 118.881 2.035 1 1 1293 . 10 1 1 A 116 116 VAL H H 116 8.044 7.819 0.225 1 1 1294 . 10 1 1 A 116 116 VAL HA H 116 4.389 4.552 -0.163 1 1 1302 . 10 1 1 A 116 116 VAL CA C 116 63.183 60.599 2.584 1 1 1303 . 10 1 1 A 116 116 VAL CB C 116 32.216 33.051 -0.835 1 1 1306 . 10 1 1 A 116 116 VAL N N 116 117.046 118.502 -1.456 1 1 1307 . 10 1 1 A 117 117 GLN H H 117 8.582 8.491 0.091 1 1 1308 . 10 1 1 A 117 117 GLN HA H 117 4.550 4.742 -0.192 1 1 1315 . 10 1 1 A 117 117 GLN CA C 117 53.827 53.857 -0.030 1 1 1316 . 10 1 1 A 117 117 GLN CB C 117 33.119 31.653 1.466 1 1 1318 . 10 1 1 A 117 117 GLN N N 117 127.086 126.902 0.184 1 1 1320 . 10 1 1 A 118 118 ASN H H 118 8.330 8.830 -0.500 1 1 1321 . 10 1 1 A 118 118 ASN HA H 118 5.845 6.093 -0.248 1 1 1326 . 10 1 1 A 118 118 ASN CA C 118 51.736 51.188 0.548 1 1 1327 . 10 1 1 A 118 118 ASN CB C 118 42.644 42.342 0.302 1 1 1328 . 10 1 1 A 118 118 ASN N N 118 113.251 116.441 -3.190 1 1 1330 . 10 1 1 A 119 119 GLN H H 119 9.187 8.936 0.251 1 1 1331 . 10 1 1 A 119 119 GLN HA H 119 4.693 5.119 -0.426 1 1 1338 . 10 1 1 A 119 119 GLN CA C 119 55.160 54.242 0.918 1 1 1339 . 10 1 1 A 119 119 GLN CB C 119 34.157 33.420 0.737 1 1 1341 . 10 1 1 A 119 119 GLN N N 119 116.799 119.603 -2.804 1 1 1343 . 10 1 1 A 120 120 LEU H H 120 8.544 8.938 -0.394 1 1 1344 . 10 1 1 A 120 120 LEU HA H 120 5.059 5.186 -0.127 1 1 1354 . 10 1 1 A 120 120 LEU CA C 120 54.327 53.472 0.855 1 1 1355 . 10 1 1 A 120 120 LEU CB C 120 42.839 43.010 -0.171 1 1 1359 . 10 1 1 A 120 120 LEU N N 120 123.292 121.559 1.733 1 1 1360 . 10 1 1 A 121 121 ILE H H 121 8.657 8.909 -0.252 1 1 1361 . 10 1 1 A 121 121 ILE HA H 121 4.778 4.744 0.034 1 1 1371 . 10 1 1 A 121 121 ILE CA C 121 58.770 60.133 -1.363 1 1 1372 . 10 1 1 A 121 121 ILE CB C 121 41.582 38.955 2.627 1 1 1376 . 10 1 1 A 121 121 ILE N N 121 116.046 122.665 -6.619 1 1 1377 . 10 1 1 A 122 122 ASN H H 122 8.329 8.979 -0.650 1 1 1378 . 10 1 1 A 122 122 ASN HA H 122 5.068 5.253 -0.185 1 1 1383 . 10 1 1 A 122 122 ASN CA C 122 52.654 52.319 0.335 1 1 1384 . 10 1 1 A 122 122 ASN CB C 122 42.112 38.988 3.124 1 1 1385 . 10 1 1 A 122 122 ASN N N 122 118.416 126.188 -7.772 1 1 1387 . 10 1 1 A 123 123 ALA H H 123 8.547 8.628 -0.081 1 1 1388 . 10 1 1 A 123 123 ALA HA H 123 4.597 4.736 -0.139 1 1 1392 . 10 1 1 A 123 123 ALA CA C 123 48.537 49.495 -0.958 1 1 1393 . 10 1 1 A 123 123 ALA CB C 123 19.998 19.771 0.227 1 1 1394 . 10 1 1 A 123 123 ALA N N 123 124.108 127.555 -3.447 1 1 1395 . 10 1 1 A 124 124 PRO HA H 124 4.537 4.460 0.077 1 1 1402 . 10 1 1 A 124 124 PRO CA C 124 60.979 62.312 -1.333 1 1 1403 . 10 1 1 A 124 124 PRO CB C 124 32.285 32.292 -0.007 1 1 1406 . 10 1 1 A 125 125 ALA H H 125 8.587 8.290 0.297 1 1 1407 . 10 1 1 A 125 125 ALA HA H 125 3.899 4.496 -0.597 1 1 1411 . 10 1 1 A 125 125 ALA CA C 125 52.692 51.953 0.739 1 1 1412 . 10 1 1 A 125 125 ALA CB C 125 18.631 19.545 -0.914 1 1 1413 . 10 1 1 A 125 125 ALA N N 125 121.333 123.409 -2.076 1 1 1414 . 10 1 1 A 126 126 SER H H 126 8.227 9.261 -1.034 1 1 1415 . 10 1 1 A 126 126 SER HA H 126 4.616 4.592 0.024 1 1 1418 . 10 1 1 A 126 126 SER CA C 126 59.168 58.328 0.840 1 1 1419 . 10 1 1 A 126 126 SER CB C 126 64.636 64.630 0.006 1 1 1420 . 10 1 1 A 126 126 SER N N 126 118.947 118.641 0.306 1 1 1421 . 10 1 1 A 127 127 VAL H H 127 8.595 8.699 -0.104 1 1 1422 . 10 1 1 A 127 127 VAL HA H 127 4.276 4.068 0.208 1 1 1430 . 10 1 1 A 127 127 VAL CA C 127 62.194 64.108 -1.914 1 1 1431 . 10 1 1 A 127 127 VAL CB C 127 32.852 32.642 0.210 1 1 1434 . 10 1 1 A 127 127 VAL N N 127 117.209 123.411 -6.202 1 1 1435 . 10 1 1 A 128 128 LEU H H 128 7.844 7.494 0.350 1 1 1436 . 10 1 1 A 128 128 LEU HA H 128 4.588 4.729 -0.141 1 1 1446 . 10 1 1 A 128 128 LEU CA C 128 53.639 53.140 0.499 1 1 1447 . 10 1 1 A 128 128 LEU CB C 128 44.574 44.423 0.151 1 1 1451 . 10 1 1 A 128 128 LEU N N 128 121.103 117.865 3.238 1 1 1452 . 10 1 1 A 129 129 ALA H H 129 8.377 8.646 -0.269 1 1 1453 . 10 1 1 A 129 129 ALA HA H 129 4.538 4.832 -0.294 1 1 1457 . 10 1 1 A 129 129 ALA CA C 129 53.476 49.506 3.970 1 1 1458 . 10 1 1 A 129 129 ALA CB C 129 20.982 22.472 -1.490 1 1 1459 . 10 1 1 A 129 129 ALA N N 129 123.679 120.697 2.982 1 1 1460 . 10 1 1 A 130 130 PRO HA H 130 4.669 4.605 0.064 1 1 1467 . 10 1 1 A 130 130 PRO CA C 130 62.314 62.365 -0.051 1 1 1468 . 10 1 1 A 130 130 PRO CB C 130 33.473 32.671 0.802 1 1 1471 . 10 1 1 A 131 131 SER H H 131 9.365 8.528 0.837 1 1 1472 . 10 1 1 A 131 131 SER HA H 131 4.520 4.912 -0.392 1 1 1475 . 10 1 1 A 131 131 SER CA C 131 59.385 57.946 1.439 1 1 1476 . 10 1 1 A 131 131 SER CB C 131 63.866 63.704 0.162 1 1 1477 . 10 1 1 A 131 131 SER N N 131 122.226 117.625 4.601 1 1 1478 . 10 1 1 A 132 132 ASP H H 132 8.608 9.186 -0.578 1 1 1479 . 10 1 1 A 132 132 ASP HA H 132 5.260 5.087 0.173 1 1 1482 . 10 1 1 A 132 132 ASP CA C 132 53.345 53.272 0.073 1 1 1483 . 10 1 1 A 132 132 ASP CB C 132 41.791 40.597 1.194 1 1 1484 . 10 1 1 A 132 132 ASP N N 132 124.814 126.185 -1.371 1 1 1485 . 10 1 1 A 133 133 VAL H H 133 9.405 9.248 0.157 1 1 1486 . 10 1 1 A 133 133 VAL HA H 133 4.226 4.613 -0.387 1 1 1494 . 10 1 1 A 133 133 VAL CA C 133 61.669 61.900 -0.231 1 1 1495 . 10 1 1 A 133 133 VAL CB C 133 34.448 32.588 1.860 1 1 1498 . 10 1 1 A 133 133 VAL N N 133 127.192 125.390 1.802 1 1 1499 . 10 1 1 A 134 134 ASP H H 134 8.468 8.940 -0.472 1 1 1500 . 10 1 1 A 134 134 ASP HA H 134 5.368 5.733 -0.365 1 1 1503 . 10 1 1 A 134 134 ASP CA C 134 52.326 52.490 -0.164 1 1 1504 . 10 1 1 A 134 134 ASP CB C 134 41.245 44.044 -2.799 1 1 1505 . 10 1 1 A 134 134 ASP N N 134 127.161 125.904 1.257 1 1 1506 . 10 1 1 A 135 135 ILE H H 135 9.406 8.808 0.598 1 1 1507 . 10 1 1 A 135 135 ILE HA H 135 4.636 4.870 -0.234 1 1 1517 . 10 1 1 A 135 135 ILE CA C 135 57.478 56.932 0.546 1 1 1518 . 10 1 1 A 135 135 ILE CB C 135 39.411 41.123 -1.712 1 1 1522 . 10 1 1 A 135 135 ILE N N 135 125.603 117.708 7.895 1 1 1523 . 10 1 1 A 136 136 PRO HA H 136 4.844 4.748 0.096 1 1 1530 . 10 1 1 A 136 136 PRO CA C 136 62.314 62.513 -0.199 1 1 1531 . 10 1 1 A 136 136 PRO CB C 136 31.563 32.177 -0.614 1 1 1534 . 10 1 1 A 137 137 LEU H H 137 9.196 8.916 0.280 1 1 1535 . 10 1 1 A 137 137 LEU HA H 137 4.739 4.653 0.086 1 1 1545 . 10 1 1 A 137 137 LEU CA C 137 53.609 54.145 -0.536 1 1 1546 . 10 1 1 A 137 137 LEU CB C 137 45.473 42.950 2.523 1 1 1550 . 10 1 1 A 137 137 LEU N N 137 124.087 122.892 1.195 1 1 1551 . 10 1 1 A 138 138 GLN H H 138 8.928 8.842 0.086 1 1 1552 . 10 1 1 A 138 138 GLN HA H 138 4.581 4.501 0.080 1 1 1559 . 10 1 1 A 138 138 GLN CA C 138 54.780 54.688 0.092 1 1 1560 . 10 1 1 A 138 138 GLN CB C 138 29.048 29.015 0.033 1 1 1562 . 10 1 1 A 138 138 GLN N N 138 122.528 125.084 -2.556 1 1 1564 . 10 1 1 A 139 139 LEU H H 139 9.039 8.638 0.401 1 1 1565 . 10 1 1 A 139 139 LEU HA H 139 4.205 4.241 -0.036 1 1 1575 . 10 1 1 A 139 139 LEU CA C 139 52.367 54.725 -2.358 1 1 1576 . 10 1 1 A 139 139 LEU CB C 139 38.673 41.383 -2.710 1 1 1580 . 10 1 1 A 139 139 LEU N N 139 127.667 126.772 0.895 1 1 1581 . 10 1 1 A 140 140 LYS H H 140 8.078 8.592 -0.514 1 1 1582 . 10 1 1 A 140 140 LYS HA H 140 4.352 4.558 -0.206 1 1 1591 . 10 1 1 A 140 140 LYS CA C 140 56.826 55.418 1.408 1 1 1592 . 10 1 1 A 140 140 LYS CB C 140 32.657 34.152 -1.495 1 1 1596 . 10 1 1 A 140 140 LYS N N 140 124.108 123.523 0.585 1 1 1597 . 10 1 1 A 141 141 GLY H H 141 9.166 9.043 0.123 1 1 1598 . 10 1 1 A 141 141 GLY HA2 H 141 3.788 3.943 -0.155 1 1 1599 . 10 1 1 A 141 141 GLY HA3 H 141 4.119 3.956 0.163 1 1 1600 . 10 1 1 A 141 141 GLY CA C 141 45.682 45.612 0.070 1 1 1601 . 10 1 1 A 141 141 GLY N N 141 110.698 111.764 -1.066 1 1 1602 . 10 1 1 A 142 142 ILE H H 142 7.112 7.848 -0.736 1 1 1603 . 10 1 1 A 142 142 ILE HA H 142 4.600 4.795 -0.195 1 1 1613 . 10 1 1 A 142 142 ILE CA C 142 58.547 59.876 -1.329 1 1 1614 . 10 1 1 A 142 142 ILE CB C 142 40.437 41.377 -0.940 1 1 1618 . 10 1 1 A 142 142 ILE N N 142 117.928 121.669 -3.741 1 1 1619 . 10 1 1 A 143 143 SER H H 143 8.381 8.954 -0.573 1 1 1620 . 10 1 1 A 143 143 SER HA H 143 4.613 4.516 0.097 1 1 1623 . 10 1 1 A 143 143 SER CA C 143 56.654 58.340 -1.686 1 1 1624 . 10 1 1 A 143 143 SER CB C 143 65.051 63.965 1.086 1 1 1625 . 10 1 1 A 143 143 SER N N 143 123.373 124.757 -1.384 1 1 1626 . 10 1 1 A 144 144 VAL H H 144 8.702 8.597 0.105 1 1 1627 . 10 1 1 A 144 144 VAL HA H 144 3.593 3.872 -0.279 1 1 1635 . 10 1 1 A 144 144 VAL CA C 144 65.655 65.080 0.575 1 1 1636 . 10 1 1 A 144 144 VAL CB C 144 31.434 31.793 -0.359 1 1 1639 . 10 1 1 A 144 144 VAL N N 144 120.791 126.115 -5.324 1 1 1640 . 10 1 1 A 145 145 ASP H H 145 8.151 8.174 -0.023 1 1 1641 . 10 1 1 A 145 145 ASP HA H 145 4.435 4.416 0.019 1 1 1644 . 10 1 1 A 145 145 ASP CA C 145 55.211 56.822 -1.611 1 1 1645 . 10 1 1 A 145 145 ASP CB C 145 40.268 41.044 -0.776 1 1 1646 . 10 1 1 A 145 145 ASP N N 145 115.698 120.952 -5.254 1 1 1647 . 10 1 1 A 146 146 GLN H H 146 7.553 7.557 -0.004 1 1 1648 . 10 1 1 A 146 146 GLN HA H 146 4.302 4.408 -0.106 1 1 1655 . 10 1 1 A 146 146 GLN CA C 146 55.072 55.727 -0.655 1 1 1656 . 10 1 1 A 146 146 GLN CB C 146 29.990 29.466 0.524 1 1 1658 . 10 1 1 A 146 146 GLN N N 146 117.118 116.115 1.003 1 1 1660 . 10 1 1 A 147 147 LEU H H 147 7.368 7.465 -0.097 1 1 1661 . 10 1 1 A 147 147 LEU HA H 147 4.119 4.369 -0.250 1 1 1671 . 10 1 1 A 147 147 LEU CA C 147 54.904 54.666 0.238 1 1 1672 . 10 1 1 A 147 147 LEU CB C 147 40.355 41.637 -1.282 1 1 1676 . 10 1 1 A 147 147 LEU N N 147 121.541 121.368 0.173 1 1 1677 . 10 1 1 A 148 148 GLY H H 148 8.791 8.653 0.138 1 1 1678 . 10 1 1 A 148 148 GLY HA2 H 148 4.512 4.054 0.458 1 1 1679 . 10 1 1 A 148 148 GLY HA3 H 148 3.997 4.111 -0.114 1 1 1680 . 10 1 1 A 148 148 GLY CA C 148 45.610 46.492 -0.882 1 1 1681 . 10 1 1 A 148 148 GLY N N 148 116.322 114.046 2.276 1 1 1682 . 10 1 1 A 149 149 PHE H H 149 7.790 7.928 -0.138 1 1 1683 . 10 1 1 A 149 149 PHE HA H 149 5.215 5.297 -0.082 1 1 1691 . 10 1 1 A 149 149 PHE CA C 149 56.942 56.012 0.930 1 1 1692 . 10 1 1 A 149 149 PHE CB C 149 42.019 43.010 -0.991 1 1 1696 . 10 1 1 A 149 149 PHE N N 149 113.675 113.508 0.167 1 1 1697 . 10 1 1 A 150 150 VAL H H 150 8.549 9.004 -0.455 1 1 1698 . 10 1 1 A 150 150 VAL HA H 150 4.776 4.870 -0.094 1 1 1706 . 10 1 1 A 150 150 VAL CA C 150 61.068 61.401 -0.333 1 1 1707 . 10 1 1 A 150 150 VAL CB C 150 34.594 33.735 0.859 1 1 1710 . 10 1 1 A 150 150 VAL N N 150 118.208 120.498 -2.290 1 1 1711 . 10 1 1 A 151 151 ARG H H 151 9.953 9.410 0.543 1 1 1712 . 10 1 1 A 151 151 ARG HA H 151 5.783 5.012 0.771 1 1 1719 . 10 1 1 A 151 151 ARG CA C 151 53.530 55.413 -1.883 1 1 1720 . 10 1 1 A 151 151 ARG CB C 151 33.540 31.264 2.276 1 1 1723 . 10 1 1 A 151 151 ARG N N 151 128.446 128.956 -0.510 1 1 1724 . 10 1 1 A 152 152 ILE H H 152 8.905 8.957 -0.052 1 1 1725 . 10 1 1 A 152 152 ILE HA H 152 5.188 4.920 0.268 1 1 1735 . 10 1 1 A 152 152 ILE CA C 152 60.464 60.376 0.088 1 1 1736 . 10 1 1 A 152 152 ILE CB C 152 39.542 38.621 0.921 1 1 1740 . 10 1 1 A 152 152 ILE N N 152 127.149 128.979 -1.830 1 1 1741 . 10 1 1 A 153 153 HIS H H 153 8.941 8.408 0.533 1 1 1742 . 10 1 1 A 153 153 HIS HA H 153 5.074 4.989 0.085 1 1 1747 . 10 1 1 A 153 153 HIS CA C 153 53.417 54.370 -0.953 1 1 1748 . 10 1 1 A 153 153 HIS CB C 153 31.734 32.742 -1.008 1 1 1751 . 10 1 1 A 153 153 HIS N N 153 119.132 124.231 -5.099 1 1 1752 . 10 1 1 A 154 154 ASP H H 154 9.109 9.378 -0.269 1 1 1753 . 10 1 1 A 154 154 ASP HA H 154 4.276 4.195 0.081 1 1 1756 . 10 1 1 A 154 154 ASP CA C 154 55.630 56.582 -0.952 1 1 1757 . 10 1 1 A 154 154 ASP CB C 154 39.450 39.245 0.205 1 1 1758 . 10 1 1 A 154 154 ASP N N 154 116.420 117.753 -1.333 1 1 1759 . 10 1 1 A 155 155 ILE H H 155 8.062 8.199 -0.137 1 1 1760 . 10 1 1 A 155 155 ILE HA H 155 5.051 4.015 1.036 1 1 1770 . 10 1 1 A 155 155 ILE CA C 155 59.666 62.087 -2.421 1 1 1771 . 10 1 1 A 155 155 ILE CB C 155 35.757 36.807 -1.050 1 1 1775 . 10 1 1 A 155 155 ILE N N 155 119.131 117.636 1.495 1 1 1776 . 10 1 1 A 156 156 GLN H H 156 9.011 8.448 0.563 1 1 1777 . 10 1 1 A 156 156 GLN HA H 156 4.993 4.904 0.089 1 1 1784 . 10 1 1 A 156 156 GLN CA C 156 51.975 53.230 -1.255 1 1 1785 . 10 1 1 A 156 156 GLN CB C 156 31.210 30.235 0.975 1 1 1787 . 10 1 1 A 156 156 GLN N N 156 127.177 121.672 5.505 1 1 1789 . 10 1 1 A 157 157 PRO HA H 157 4.964 4.778 0.186 1 1 1796 . 10 1 1 A 157 157 PRO CA C 157 61.770 62.581 -0.811 1 1 1797 . 10 1 1 A 157 157 PRO CB C 157 31.637 32.076 -0.439 1 1 1800 . 10 1 1 A 158 158 VAL H H 158 7.921 7.992 -0.071 1 1 1801 . 10 1 1 A 158 158 VAL HA H 158 4.107 4.208 -0.101 1 1 1809 . 10 1 1 A 158 158 VAL CA C 158 62.234 62.040 0.194 1 1 1810 . 10 1 1 A 158 158 VAL CB C 158 32.610 31.819 0.791 1 1 1813 . 10 1 1 A 158 158 VAL N N 158 121.642 117.902 3.740 1 1 1814 . 10 1 1 A 159 159 MET H H 159 8.544 7.717 0.827 1 1 1815 . 10 1 1 A 159 159 MET HA H 159 4.548 4.902 -0.354 1 1 1820 . 10 1 1 A 159 159 MET CA C 159 54.731 54.002 0.729 1 1 1821 . 10 1 1 A 159 159 MET CB C 159 32.547 33.929 -1.382 1 1 1823 . 10 1 1 A 159 159 MET N N 159 124.452 121.503 2.949 1 1 1824 . 10 1 1 A 160 160 GLN H H 160 8.434 8.386 0.048 1 1 1825 . 10 1 1 A 160 160 GLN HA H 160 4.354 4.473 -0.119 1 1 1832 . 10 1 1 A 160 160 GLN CA C 160 55.399 55.983 -0.584 1 1 1833 . 10 1 1 A 160 160 GLN CB C 160 29.112 28.702 0.410 1 1 1835 . 10 1 1 A 160 160 GLN N N 160 121.917 121.726 0.191 1 1 1837 . 10 1 1 A 161 161 LEU H H 161 8.325 7.813 0.512 1 1 1838 . 10 1 1 A 161 161 LEU HA H 161 4.314 4.406 -0.092 1 1 1848 . 10 1 1 A 161 161 LEU CA C 161 55.040 54.390 0.650 1 1 1849 . 10 1 1 A 161 161 LEU CB C 161 42.225 42.798 -0.573 1 1 1853 . 10 1 1 A 161 161 LEU N N 161 123.826 123.522 0.304 1 1 1854 . 10 1 1 A 162 162 GLU H H 162 8.358 8.692 -0.334 1 1 1855 . 10 1 1 A 162 162 GLU HA H 162 4.216 4.545 -0.329 1 1 1860 . 10 1 1 A 162 162 GLU CA C 162 56.343 55.270 1.073 1 1 1861 . 10 1 1 A 162 162 GLU CB C 162 30.083 32.047 -1.964 1 1 1863 . 10 1 1 A 162 162 GLU N N 162 121.293 122.083 -0.790 1 1 1864 . 10 1 1 A 163 163 HIS H H 163 8.376 8.784 -0.408 1 1 1865 . 10 1 1 A 163 163 HIS HA H 163 4.641 5.729 -1.088 1 1 1868 . 10 1 1 A 163 163 HIS CA C 163 55.437 53.603 1.834 1 1 1869 . 10 1 1 A 163 163 HIS CB C 163 29.412 32.841 -3.429 1 1 1870 . 10 1 1 A 163 163 HIS N N 163 121.307 116.541 4.766 1 1 1871 . 10 1 1 A 164 164 HIS H H 164 8.289 8.900 -0.611 1 1 1872 . 10 1 1 A 164 164 HIS N N 164 125.228 115.157 10.071 1 1 1873 . 10 1 1 A 166 166 HIS HA H 166 4.300 4.774 -0.474 1 1 1876 . 10 1 1 A 166 166 HIS CA C 166 55.708 53.856 1.852 1 1 1877 . 10 1 1 A 166 166 HIS CB C 166 29.207 32.363 -3.156 1 1 1878 . 10 1 1 A 167 167 HIS H H 167 8.591 8.987 -0.396 1 1 1879 . 10 1 1 A 167 167 HIS HA H 167 4.541 4.108 0.433 1 1 1882 . 10 1 1 A 167 167 HIS CA C 167 54.678 59.515 -4.837 1 1 1883 . 10 1 1 A 167 167 HIS CB C 167 26.256 30.496 -4.240 1 1 1884 . 10 1 1 A 167 167 HIS N N 167 121.317 120.751 0.566 1 1 1 . 11 1 1 A 2 2 VAL HA H 2 3.850 4.169 -0.319 1 1 9 . 11 1 1 A 2 2 VAL CA C 2 61.400 62.617 -1.217 1 1 10 . 11 1 1 A 2 2 VAL CB C 2 32.400 32.406 -0.006 1 1 13 . 11 1 1 A 3 3 GLN HA H 3 4.445 4.644 -0.199 1 1 18 . 11 1 1 A 3 3 GLN CA C 3 55.467 54.630 0.837 1 1 19 . 11 1 1 A 3 3 GLN CB C 3 29.271 29.215 0.056 1 1 21 . 11 1 1 A 4 4 GLN H H 4 8.703 8.346 0.357 1 1 22 . 11 1 1 A 4 4 GLN HA H 4 4.356 4.638 -0.282 1 1 27 . 11 1 1 A 4 4 GLN CA C 4 55.961 54.192 1.769 1 1 28 . 11 1 1 A 4 4 GLN CB C 4 29.178 29.328 -0.150 1 1 30 . 11 1 1 A 4 4 GLN N N 4 123.281 123.514 -0.233 1 1 31 . 11 1 1 A 5 5 SER H H 5 8.426 8.669 -0.243 1 1 32 . 11 1 1 A 5 5 SER HA H 5 4.424 4.647 -0.223 1 1 35 . 11 1 1 A 5 5 SER CA C 5 58.498 59.223 -0.725 1 1 36 . 11 1 1 A 5 5 SER CB C 5 63.534 63.245 0.289 1 1 37 . 11 1 1 A 5 5 SER N N 5 116.845 117.332 -0.487 1 1 38 . 11 1 1 A 6 6 GLU H H 6 8.434 9.203 -0.769 1 1 39 . 11 1 1 A 6 6 GLU HA H 6 4.342 4.931 -0.589 1 1 44 . 11 1 1 A 6 6 GLU CA C 6 56.410 54.754 1.656 1 1 45 . 11 1 1 A 6 6 GLU CB C 6 29.873 32.274 -2.401 1 1 47 . 11 1 1 A 6 6 GLU N N 6 122.965 125.399 -2.434 1 1 48 . 11 1 1 A 7 7 VAL H H 7 8.131 8.784 -0.653 1 1 49 . 11 1 1 A 7 7 VAL HA H 7 4.063 4.504 -0.441 1 1 57 . 11 1 1 A 7 7 VAL CA C 7 62.213 61.470 0.743 1 1 58 . 11 1 1 A 7 7 VAL CB C 7 32.391 32.939 -0.548 1 1 61 . 11 1 1 A 7 7 VAL N N 7 121.508 121.065 0.443 1 1 62 . 11 1 1 A 8 8 ARG H H 8 8.376 8.750 -0.374 1 1 63 . 11 1 1 A 8 8 ARG HA H 8 4.335 4.720 -0.385 1 1 70 . 11 1 1 A 8 8 ARG CA C 8 56.013 54.217 1.796 1 1 71 . 11 1 1 A 8 8 ARG CB C 8 30.528 33.740 -3.212 1 1 74 . 11 1 1 A 8 8 ARG N N 8 124.504 122.313 2.191 1 1 75 . 11 1 1 A 9 9 GLN H H 9 8.360 8.293 0.067 1 1 76 . 11 1 1 A 9 9 GLN HA H 9 4.353 4.278 0.075 1 1 81 . 11 1 1 A 9 9 GLN CA C 9 55.446 55.639 -0.193 1 1 82 . 11 1 1 A 9 9 GLN CB C 9 29.236 29.207 0.029 1 1 84 . 11 1 1 A 9 9 GLN N N 9 121.537 120.914 0.623 1 1 85 . 11 1 1 A 10 10 MET H H 10 8.391 8.585 -0.194 1 1 86 . 11 1 1 A 10 10 MET HA H 10 4.459 5.122 -0.663 1 1 91 . 11 1 1 A 10 10 MET CA C 10 55.062 54.169 0.893 1 1 92 . 11 1 1 A 10 10 MET CB C 10 32.482 33.869 -1.387 1 1 94 . 11 1 1 A 10 10 MET N N 10 122.199 121.679 0.520 1 1 95 . 11 1 1 A 11 11 LYS H H 11 8.317 8.559 -0.242 1 1 96 . 11 1 1 A 11 11 LYS HA H 11 4.296 4.921 -0.625 1 1 105 . 11 1 1 A 11 11 LYS CA C 11 56.114 54.673 1.441 1 1 106 . 11 1 1 A 11 11 LYS CB C 11 32.372 35.567 -3.195 1 1 110 . 11 1 1 A 11 11 LYS N N 11 122.440 121.931 0.509 1 1 111 . 11 1 1 A 12 12 HIS H H 12 8.489 8.615 -0.126 1 1 112 . 11 1 1 A 12 12 HIS HA H 12 4.748 5.106 -0.358 1 1 116 . 11 1 1 A 12 12 HIS CA C 12 55.052 54.376 0.676 1 1 117 . 11 1 1 A 12 12 HIS CB C 12 29.094 31.994 -2.900 1 1 119 . 11 1 1 A 12 12 HIS N N 12 119.934 116.888 3.046 1 1 120 . 11 1 1 A 13 13 SER H H 13 8.401 8.717 -0.316 1 1 121 . 11 1 1 A 13 13 SER HA H 13 4.518 4.416 0.102 1 1 124 . 11 1 1 A 13 13 SER CA C 13 57.855 56.745 1.110 1 1 125 . 11 1 1 A 13 13 SER CB C 13 63.750 64.891 -1.141 1 1 126 . 11 1 1 A 13 13 SER N N 13 117.596 116.214 1.382 1 1 127 . 11 1 1 A 14 14 VAL H H 14 8.285 8.665 -0.380 1 1 128 . 11 1 1 A 14 14 VAL HA H 14 4.239 4.872 -0.633 1 1 136 . 11 1 1 A 14 14 VAL CA C 14 62.078 59.907 2.171 1 1 137 . 11 1 1 A 14 14 VAL CB C 14 32.564 35.015 -2.451 1 1 140 . 11 1 1 A 14 14 VAL N N 14 121.378 122.414 -1.036 1 1 141 . 11 1 1 A 15 15 SER H H 15 8.419 8.969 -0.550 1 1 142 . 11 1 1 A 15 15 SER HA H 15 4.556 5.187 -0.631 1 1 145 . 11 1 1 A 15 15 SER CA C 15 57.855 57.959 -0.104 1 1 146 . 11 1 1 A 15 15 SER CB C 15 63.600 64.276 -0.676 1 1 147 . 11 1 1 A 15 15 SER N N 15 119.022 126.042 -7.020 1 1 148 . 11 1 1 A 16 16 THR H H 16 8.189 8.878 -0.689 1 1 149 . 11 1 1 A 16 16 THR HA H 16 4.362 5.141 -0.779 1 1 154 . 11 1 1 A 16 16 THR CA C 16 61.510 60.676 0.834 1 1 155 . 11 1 1 A 16 16 THR CB C 16 69.292 70.631 -1.339 1 1 157 . 11 1 1 A 16 16 THR N N 16 116.040 117.145 -1.105 1 1 158 . 11 1 1 A 17 17 LEU H H 17 8.168 9.025 -0.857 1 1 159 . 11 1 1 A 17 17 LEU HA H 17 4.331 4.406 -0.075 1 1 169 . 11 1 1 A 17 17 LEU CA C 17 55.446 54.771 0.675 1 1 170 . 11 1 1 A 17 17 LEU CB C 17 42.032 42.104 -0.072 1 1 174 . 11 1 1 A 17 17 LEU N N 17 123.796 128.052 -4.256 1 1 175 . 11 1 1 A 18 18 ASN H H 18 8.406 8.678 -0.272 1 1 176 . 11 1 1 A 18 18 ASN HA H 18 4.685 5.769 -1.084 1 1 181 . 11 1 1 A 18 18 ASN CA C 18 53.276 51.051 2.225 1 1 182 . 11 1 1 A 18 18 ASN CB C 18 38.462 42.485 -4.023 1 1 183 . 11 1 1 A 18 18 ASN N N 18 119.197 116.403 2.794 1 1 185 . 11 1 1 A 19 19 GLN H H 19 8.346 8.728 -0.382 1 1 186 . 11 1 1 A 19 19 GLN HA H 19 4.319 4.959 -0.640 1 1 193 . 11 1 1 A 19 19 GLN CA C 19 56.075 54.431 1.644 1 1 194 . 11 1 1 A 19 19 GLN CB C 19 29.077 31.997 -2.920 1 1 196 . 11 1 1 A 19 19 GLN N N 19 120.620 118.205 2.415 1 1 198 . 11 1 1 A 20 20 GLU H H 20 8.474 8.497 -0.023 1 1 199 . 11 1 1 A 20 20 GLU HA H 20 4.269 4.613 -0.344 1 1 204 . 11 1 1 A 20 20 GLU CA C 20 56.932 56.904 0.028 1 1 205 . 11 1 1 A 20 20 GLU CB C 20 29.694 30.149 -0.455 1 1 207 . 11 1 1 A 20 20 GLU N N 20 121.410 124.307 -2.897 1 1 208 . 11 1 1 A 21 21 MET H H 21 8.366 8.629 -0.263 1 1 209 . 11 1 1 A 21 21 MET HA H 21 4.538 4.818 -0.280 1 1 214 . 11 1 1 A 21 21 MET CA C 21 55.812 54.374 1.438 1 1 215 . 11 1 1 A 21 21 MET CB C 21 32.188 34.276 -2.088 1 1 217 . 11 1 1 A 21 21 MET N N 21 120.618 125.315 -4.697 1 1 218 . 11 1 1 A 22 22 THR H H 22 8.127 8.295 -0.168 1 1 219 . 11 1 1 A 22 22 THR HA H 22 4.299 4.798 -0.499 1 1 224 . 11 1 1 A 22 22 THR CA C 22 62.287 60.618 1.669 1 1 225 . 11 1 1 A 22 22 THR CB C 22 69.174 69.757 -0.583 1 1 227 . 11 1 1 A 22 22 THR N N 22 114.858 109.997 4.861 1 1 228 . 11 1 1 A 23 23 GLN H H 23 8.342 8.331 0.011 1 1 229 . 11 1 1 A 23 23 GLN HA H 23 4.339 4.285 0.054 1 1 236 . 11 1 1 A 23 23 GLN CA C 23 56.148 54.942 1.206 1 1 237 . 11 1 1 A 23 23 GLN CB C 23 29.112 29.355 -0.243 1 1 239 . 11 1 1 A 23 23 GLN N N 23 122.047 119.207 2.840 1 1 241 . 11 1 1 A 24 24 LEU H H 24 8.174 8.314 -0.140 1 1 242 . 11 1 1 A 24 24 LEU HA H 24 4.334 4.573 -0.239 1 1 252 . 11 1 1 A 24 24 LEU CA C 24 55.519 55.179 0.340 1 1 253 . 11 1 1 A 24 24 LEU CB C 24 42.146 43.088 -0.942 1 1 257 . 11 1 1 A 24 24 LEU N N 24 122.328 121.795 0.533 1 1 258 . 11 1 1 A 25 25 ASN H H 25 8.384 8.544 -0.160 1 1 259 . 11 1 1 A 25 25 ASN HA H 25 4.692 5.092 -0.400 1 1 264 . 11 1 1 A 25 25 ASN CA C 25 53.481 51.824 1.657 1 1 265 . 11 1 1 A 25 25 ASN CB C 25 38.445 41.533 -3.088 1 1 266 . 11 1 1 A 25 25 ASN N N 25 119.262 123.815 -4.553 1 1 268 . 11 1 1 A 26 26 GLN H H 26 8.453 9.040 -0.587 1 1 269 . 11 1 1 A 26 26 GLN HA H 26 4.215 3.911 0.304 1 1 276 . 11 1 1 A 26 26 GLN CA C 26 57.037 59.531 -2.494 1 1 277 . 11 1 1 A 26 26 GLN CB C 26 28.996 28.487 0.509 1 1 279 . 11 1 1 A 26 26 GLN N N 26 120.394 121.994 -1.600 1 1 281 . 11 1 1 A 27 27 GLU H H 27 8.501 8.166 0.335 1 1 282 . 11 1 1 A 27 27 GLU HA H 27 4.202 4.085 0.117 1 1 287 . 11 1 1 A 27 27 GLU CA C 27 58.573 59.407 -0.834 1 1 288 . 11 1 1 A 27 27 GLU CB C 27 29.349 29.791 -0.442 1 1 290 . 11 1 1 A 27 27 GLU N N 27 121.130 119.690 1.440 1 1 291 . 11 1 1 A 28 28 THR H H 28 8.032 8.085 -0.053 1 1 292 . 11 1 1 A 28 28 THR HA H 28 4.079 3.960 0.119 1 1 297 . 11 1 1 A 28 28 THR CA C 28 64.762 66.273 -1.511 1 1 298 . 11 1 1 A 28 28 THR CB C 28 68.354 68.268 0.086 1 1 300 . 11 1 1 A 28 28 THR N N 28 114.032 116.973 -2.941 1 1 301 . 11 1 1 A 29 29 VAL H H 29 7.969 8.116 -0.147 1 1 302 . 11 1 1 A 29 29 VAL HA H 29 3.812 3.581 0.231 1 1 310 . 11 1 1 A 29 29 VAL CA C 29 65.572 67.181 -1.609 1 1 311 . 11 1 1 A 29 29 VAL CB C 29 31.624 31.669 -0.045 1 1 314 . 11 1 1 A 29 29 VAL N N 29 122.215 121.921 0.294 1 1 315 . 11 1 1 A 30 30 LYS H H 30 7.910 7.771 0.139 1 1 316 . 11 1 1 A 30 30 LYS HA H 30 4.175 3.962 0.213 1 1 325 . 11 1 1 A 30 30 LYS CA C 30 57.780 59.611 -1.831 1 1 326 . 11 1 1 A 30 30 LYS CB C 30 31.537 32.675 -1.138 1 1 330 . 11 1 1 A 30 30 LYS N N 30 119.387 118.438 0.949 1 1 331 . 11 1 1 A 31 31 ILE H H 31 8.277 8.149 0.128 1 1 332 . 11 1 1 A 31 31 ILE HA H 31 3.602 3.578 0.024 1 1 342 . 11 1 1 A 31 31 ILE CA C 31 65.712 65.878 -0.166 1 1 343 . 11 1 1 A 31 31 ILE CB C 31 38.559 38.256 0.303 1 1 347 . 11 1 1 A 31 31 ILE N N 31 121.053 121.205 -0.152 1 1 348 . 11 1 1 A 32 32 THR H H 32 7.896 8.397 -0.501 1 1 349 . 11 1 1 A 32 32 THR HA H 32 4.004 3.818 0.186 1 1 354 . 11 1 1 A 32 32 THR CA C 32 65.922 66.947 -1.025 1 1 355 . 11 1 1 A 32 32 THR CB C 32 68.400 68.621 -0.221 1 1 357 . 11 1 1 A 32 32 THR N N 32 115.554 116.091 -0.537 1 1 358 . 11 1 1 A 33 33 GLN H H 33 8.279 8.445 -0.166 1 1 359 . 11 1 1 A 33 33 GLN HA H 33 3.887 3.928 -0.041 1 1 366 . 11 1 1 A 33 33 GLN CA C 33 59.052 59.073 -0.021 1 1 367 . 11 1 1 A 33 33 GLN CB C 33 27.889 28.139 -0.250 1 1 369 . 11 1 1 A 33 33 GLN N N 33 120.920 122.425 -1.505 1 1 371 . 11 1 1 A 34 34 GLN H H 34 8.671 8.023 0.648 1 1 372 . 11 1 1 A 34 34 GLN HA H 34 3.615 4.049 -0.434 1 1 379 . 11 1 1 A 34 34 GLN CA C 34 60.424 58.967 1.457 1 1 380 . 11 1 1 A 34 34 GLN CB C 34 30.058 28.337 1.721 1 1 382 . 11 1 1 A 34 34 GLN N N 34 120.388 118.948 1.440 1 1 384 . 11 1 1 A 35 35 ASN H H 35 8.636 8.083 0.553 1 1 385 . 11 1 1 A 35 35 ASN HA H 35 4.595 4.516 0.079 1 1 390 . 11 1 1 A 35 35 ASN CA C 35 55.363 56.069 -0.706 1 1 391 . 11 1 1 A 35 35 ASN CB C 35 36.904 37.581 -0.677 1 1 392 . 11 1 1 A 35 35 ASN N N 35 116.477 118.464 -1.987 1 1 394 . 11 1 1 A 36 36 ARG H H 36 8.321 7.775 0.546 1 1 395 . 11 1 1 A 36 36 ARG HA H 36 4.142 4.005 0.137 1 1 402 . 11 1 1 A 36 36 ARG CA C 36 58.582 58.997 -0.415 1 1 403 . 11 1 1 A 36 36 ARG CB C 36 29.712 30.000 -0.288 1 1 406 . 11 1 1 A 36 36 ARG N N 36 121.347 119.699 1.648 1 1 407 . 11 1 1 A 37 37 LEU H H 37 8.251 8.269 -0.018 1 1 408 . 11 1 1 A 37 37 LEU HA H 37 3.788 3.788 0.000 1 1 418 . 11 1 1 A 37 37 LEU CA C 37 57.094 57.808 -0.714 1 1 419 . 11 1 1 A 37 37 LEU CB C 37 40.554 40.573 -0.019 1 1 423 . 11 1 1 A 37 37 LEU N N 37 120.862 119.917 0.945 1 1 424 . 11 1 1 A 38 38 ASN H H 38 8.047 8.482 -0.435 1 1 425 . 11 1 1 A 38 38 ASN HA H 38 5.134 4.539 0.595 1 1 430 . 11 1 1 A 38 38 ASN CA C 38 54.413 57.067 -2.654 1 1 431 . 11 1 1 A 38 38 ASN CB C 38 38.069 39.401 -1.332 1 1 432 . 11 1 1 A 38 38 ASN N N 38 115.574 118.676 -3.102 1 1 434 . 11 1 1 A 39 39 ALA H H 39 7.878 7.651 0.227 1 1 435 . 11 1 1 A 39 39 ALA HA H 39 4.342 4.012 0.330 1 1 439 . 11 1 1 A 39 39 ALA CA C 39 53.981 54.535 -0.554 1 1 440 . 11 1 1 A 39 39 ALA CB C 39 18.340 18.339 0.001 1 1 441 . 11 1 1 A 39 39 ALA N N 39 123.076 120.782 2.294 1 1 442 . 11 1 1 A 40 40 LYS H H 40 7.431 7.210 0.221 1 1 443 . 11 1 1 A 40 40 LYS HA H 40 4.528 4.340 0.188 1 1 452 . 11 1 1 A 40 40 LYS CA C 40 55.285 56.196 -0.911 1 1 453 . 11 1 1 A 40 40 LYS CB C 40 32.852 32.770 0.082 1 1 457 . 11 1 1 A 40 40 LYS N N 40 114.889 115.195 -0.306 1 1 458 . 11 1 1 A 41 41 SER H H 41 7.671 7.322 0.349 1 1 459 . 11 1 1 A 41 41 SER HA H 41 4.615 4.338 0.277 1 1 462 . 11 1 1 A 41 41 SER CA C 41 58.189 57.817 0.372 1 1 463 . 11 1 1 A 41 41 SER CB C 41 63.924 63.566 0.358 1 1 464 . 11 1 1 A 41 41 SER N N 41 114.795 116.855 -2.060 1 1 465 . 11 1 1 A 42 42 SER H H 42 8.927 9.016 -0.089 1 1 466 . 11 1 1 A 42 42 SER HA H 42 4.792 4.512 0.280 1 1 469 . 11 1 1 A 42 42 SER CA C 42 58.133 59.027 -0.894 1 1 470 . 11 1 1 A 42 42 SER CB C 42 63.712 63.918 -0.206 1 1 471 . 11 1 1 A 42 42 SER N N 42 120.934 123.005 -2.071 1 1 472 . 11 1 1 A 43 43 SER H H 43 8.320 7.904 0.416 1 1 473 . 11 1 1 A 43 43 SER HA H 43 4.654 5.011 -0.357 1 1 476 . 11 1 1 A 43 43 SER CA C 43 57.309 57.585 -0.276 1 1 477 . 11 1 1 A 43 43 SER CB C 43 63.151 65.485 -2.334 1 1 478 . 11 1 1 A 43 43 SER N N 43 115.966 113.734 2.232 1 1 479 . 11 1 1 A 44 44 GLY H H 44 8.182 8.979 -0.797 1 1 480 . 11 1 1 A 44 44 GLY HA2 H 44 4.206 4.019 0.187 1 1 481 . 11 1 1 A 44 44 GLY HA3 H 44 4.399 4.038 0.361 1 1 482 . 11 1 1 A 44 44 GLY CA C 44 44.540 45.416 -0.876 1 1 483 . 11 1 1 A 44 44 GLY N N 44 110.764 112.737 -1.973 1 1 484 . 11 1 1 A 45 45 VAL H H 45 8.341 7.954 0.387 1 1 485 . 11 1 1 A 45 45 VAL HA H 45 4.845 5.190 -0.345 1 1 493 . 11 1 1 A 45 45 VAL CA C 45 58.981 59.583 -0.602 1 1 494 . 11 1 1 A 45 45 VAL CB C 45 35.239 35.864 -0.625 1 1 497 . 11 1 1 A 45 45 VAL N N 45 114.116 117.434 -3.318 1 1 498 . 11 1 1 A 46 46 TYR H H 46 10.501 9.043 1.458 1 1 499 . 11 1 1 A 46 46 TYR HA H 46 5.004 5.069 -0.065 1 1 506 . 11 1 1 A 46 46 TYR CA C 46 58.121 57.177 0.944 1 1 507 . 11 1 1 A 46 46 TYR CB C 46 41.382 38.779 2.603 1 1 510 . 11 1 1 A 46 46 TYR N N 46 123.384 124.212 -0.828 1 1 511 . 11 1 1 A 47 47 LEU H H 47 9.364 9.428 -0.064 1 1 512 . 11 1 1 A 47 47 LEU HA H 47 4.695 5.095 -0.400 1 1 522 . 11 1 1 A 47 47 LEU CA C 47 52.769 53.504 -0.735 1 1 523 . 11 1 1 A 47 47 LEU CB C 47 44.689 44.490 0.199 1 1 527 . 11 1 1 A 47 47 LEU N N 47 118.822 125.652 -6.830 1 1 528 . 11 1 1 A 48 48 LEU H H 48 9.128 9.249 -0.121 1 1 529 . 11 1 1 A 48 48 LEU HA H 48 5.232 4.806 0.426 1 1 539 . 11 1 1 A 48 48 LEU CA C 48 51.100 50.860 0.240 1 1 540 . 11 1 1 A 48 48 LEU CB C 48 40.141 44.560 -4.419 1 1 544 . 11 1 1 A 48 48 LEU N N 48 123.384 122.943 0.441 1 1 545 . 11 1 1 A 49 49 PRO HA H 49 4.090 4.462 -0.372 1 1 552 . 11 1 1 A 49 49 PRO CA C 49 64.912 63.642 1.270 1 1 553 . 11 1 1 A 49 49 PRO CB C 49 31.607 31.369 0.238 1 1 556 . 11 1 1 A 50 50 GLY H H 50 9.181 8.158 1.023 1 1 557 . 11 1 1 A 50 50 GLY HA2 H 50 3.933 4.094 -0.161 1 1 558 . 11 1 1 A 50 50 GLY HA3 H 50 4.757 4.098 0.659 1 1 559 . 11 1 1 A 50 50 GLY CA C 50 45.499 45.538 -0.039 1 1 560 . 11 1 1 A 50 50 GLY N N 50 106.827 107.721 -0.894 1 1 561 . 11 1 1 A 51 51 ALA H H 51 7.857 7.479 0.378 1 1 562 . 11 1 1 A 51 51 ALA HA H 51 4.264 4.541 -0.277 1 1 566 . 11 1 1 A 51 51 ALA CA C 51 53.156 50.727 2.429 1 1 567 . 11 1 1 A 51 51 ALA CB C 51 18.492 21.271 -2.779 1 1 568 . 11 1 1 A 51 51 ALA N N 51 120.192 122.346 -2.154 1 1 569 . 11 1 1 A 52 52 LYS H H 52 7.787 8.736 -0.949 1 1 570 . 11 1 1 A 52 52 LYS HA H 52 4.094 4.121 -0.027 1 1 579 . 11 1 1 A 52 52 LYS CA C 52 56.979 57.932 -0.953 1 1 580 . 11 1 1 A 52 52 LYS CB C 52 30.731 31.707 -0.976 1 1 584 . 11 1 1 A 52 52 LYS N N 52 115.260 122.168 -6.908 1 1 585 . 11 1 1 A 53 53 THR H H 53 8.043 7.391 0.652 1 1 586 . 11 1 1 A 53 53 THR HA H 53 4.924 4.633 0.291 1 1 591 . 11 1 1 A 53 53 THR CA C 53 59.565 59.375 0.190 1 1 592 . 11 1 1 A 53 53 THR CB C 53 72.729 69.491 3.238 1 1 594 . 11 1 1 A 53 53 THR N N 53 114.085 109.901 4.184 1 1 595 . 11 1 1 A 54 54 PRO HA H 54 4.860 4.875 -0.015 1 1 602 . 11 1 1 A 54 54 PRO CA C 54 62.176 62.285 -0.109 1 1 603 . 11 1 1 A 54 54 PRO CB C 54 32.820 33.121 -0.301 1 1 606 . 11 1 1 A 55 55 ALA H H 55 8.834 8.243 0.591 1 1 607 . 11 1 1 A 55 55 ALA HA H 55 4.824 4.843 -0.019 1 1 611 . 11 1 1 A 55 55 ALA CA C 55 50.500 51.043 -0.543 1 1 612 . 11 1 1 A 55 55 ALA CB C 55 22.858 23.199 -0.341 1 1 613 . 11 1 1 A 55 55 ALA N N 55 122.227 120.776 1.451 1 1 614 . 11 1 1 A 56 56 ARG H H 56 8.445 8.505 -0.060 1 1 615 . 11 1 1 A 56 56 ARG HA H 56 5.262 4.534 0.728 1 1 623 . 11 1 1 A 56 56 ARG CA C 56 54.401 55.959 -1.558 1 1 624 . 11 1 1 A 56 56 ARG CB C 56 32.849 30.743 2.106 1 1 627 . 11 1 1 A 56 56 ARG N N 56 121.194 122.373 -1.179 1 1 629 . 11 1 1 A 57 57 LEU H H 57 9.159 9.018 0.141 1 1 630 . 11 1 1 A 57 57 LEU HA H 57 4.672 5.117 -0.445 1 1 640 . 11 1 1 A 57 57 LEU CA C 57 53.028 53.429 -0.401 1 1 641 . 11 1 1 A 57 57 LEU CB C 57 46.231 46.198 0.033 1 1 645 . 11 1 1 A 57 57 LEU N N 57 125.694 128.684 -2.990 1 1 646 . 11 1 1 A 58 58 GLU H H 58 8.890 8.949 -0.059 1 1 647 . 11 1 1 A 58 58 GLU HA H 58 4.535 4.714 -0.179 1 1 652 . 11 1 1 A 58 58 GLU CA C 58 55.733 56.100 -0.367 1 1 653 . 11 1 1 A 58 58 GLU CB C 58 27.970 30.456 -2.486 1 1 655 . 11 1 1 A 58 58 GLU N N 58 127.677 128.881 -1.204 1 1 656 . 11 1 1 A 59 59 SER H H 59 7.772 8.730 -0.958 1 1 657 . 11 1 1 A 59 59 SER HA H 59 4.970 5.029 -0.059 1 1 661 . 11 1 1 A 59 59 SER CA C 59 57.576 55.937 1.639 1 1 662 . 11 1 1 A 59 59 SER CB C 59 69.174 66.297 2.877 1 1 663 . 11 1 1 A 59 59 SER N N 59 121.860 120.260 1.600 1 1 664 . 11 1 1 A 60 60 GLN H H 60 9.336 8.042 1.294 1 1 665 . 11 1 1 A 60 60 GLN HA H 60 4.262 4.307 -0.045 1 1 672 . 11 1 1 A 60 60 GLN CA C 60 57.792 57.364 0.428 1 1 673 . 11 1 1 A 60 60 GLN CB C 60 29.669 28.344 1.325 1 1 675 . 11 1 1 A 60 60 GLN N N 60 119.522 117.294 2.228 1 1 677 . 11 1 1 A 61 61 ILE H H 61 8.007 7.211 0.796 1 1 678 . 11 1 1 A 61 61 ILE HA H 61 4.623 4.333 0.290 1 1 688 . 11 1 1 A 61 61 ILE CA C 61 59.813 60.179 -0.366 1 1 689 . 11 1 1 A 61 61 ILE CB C 61 37.013 37.925 -0.912 1 1 693 . 11 1 1 A 61 61 ILE N N 61 109.398 112.164 -2.766 1 1 694 . 11 1 1 A 62 62 GLY H H 62 7.223 7.064 0.159 1 1 695 . 11 1 1 A 62 62 GLY HA2 H 62 4.493 4.004 0.489 1 1 696 . 11 1 1 A 62 62 GLY HA3 H 62 3.872 4.012 -0.140 1 1 697 . 11 1 1 A 62 62 GLY CA C 62 43.022 43.745 -0.723 1 1 698 . 11 1 1 A 62 62 GLY N N 62 109.035 110.542 -1.507 1 1 699 . 11 1 1 A 63 63 THR H H 63 8.910 8.453 0.457 1 1 700 . 11 1 1 A 63 63 THR HA H 63 4.599 4.726 -0.127 1 1 705 . 11 1 1 A 63 63 THR CA C 63 64.037 63.192 0.845 1 1 706 . 11 1 1 A 63 63 THR CB C 63 68.111 69.647 -1.536 1 1 708 . 11 1 1 A 63 63 THR N N 63 119.711 116.301 3.410 1 1 709 . 11 1 1 A 64 64 LEU H H 64 9.070 8.996 0.074 1 1 710 . 11 1 1 A 64 64 LEU HA H 64 5.120 5.197 -0.077 1 1 720 . 11 1 1 A 64 64 LEU CA C 64 52.680 52.727 -0.047 1 1 721 . 11 1 1 A 64 64 LEU CB C 64 44.749 46.147 -1.398 1 1 725 . 11 1 1 A 64 64 LEU N N 64 127.640 122.982 4.658 1 1 726 . 11 1 1 A 65 65 ARG H H 65 9.271 9.253 0.018 1 1 727 . 11 1 1 A 65 65 ARG HA H 65 4.989 4.968 0.021 1 1 735 . 11 1 1 A 65 65 ARG CA C 65 54.814 54.796 0.018 1 1 736 . 11 1 1 A 65 65 ARG CB C 65 31.836 32.155 -0.319 1 1 739 . 11 1 1 A 65 65 ARG N N 65 122.680 120.580 2.100 1 1 741 . 11 1 1 A 66 66 MET H H 66 9.310 8.744 0.566 1 1 742 . 11 1 1 A 66 66 MET HA H 66 5.822 5.594 0.228 1 1 747 . 11 1 1 A 66 66 MET CA C 66 53.936 53.912 0.024 1 1 748 . 11 1 1 A 66 66 MET CB C 66 35.912 33.943 1.969 1 1 750 . 11 1 1 A 66 66 MET N N 66 125.309 127.378 -2.069 1 1 751 . 11 1 1 A 67 67 SER H H 67 8.943 8.810 0.133 1 1 752 . 11 1 1 A 67 67 SER HA H 67 4.660 5.147 -0.487 1 1 755 . 11 1 1 A 67 67 SER CA C 67 57.460 56.550 0.910 1 1 756 . 11 1 1 A 67 67 SER CB C 67 65.747 66.028 -0.281 1 1 757 . 11 1 1 A 67 67 SER N N 67 112.115 117.625 -5.510 1 1 758 . 11 1 1 A 68 68 LEU H H 68 8.410 8.756 -0.346 1 1 759 . 11 1 1 A 68 68 LEU HA H 68 5.115 4.903 0.212 1 1 769 . 11 1 1 A 68 68 LEU CA C 68 52.837 53.695 -0.858 1 1 770 . 11 1 1 A 68 68 LEU CB C 68 42.269 43.092 -0.823 1 1 774 . 11 1 1 A 68 68 LEU N N 68 118.367 123.772 -5.405 1 1 775 . 11 1 1 A 69 69 VAL H H 69 9.060 8.391 0.669 1 1 776 . 11 1 1 A 69 69 VAL HA H 69 4.440 4.566 -0.126 1 1 784 . 11 1 1 A 69 69 VAL CA C 69 59.852 59.933 -0.081 1 1 785 . 11 1 1 A 69 69 VAL CB C 69 35.349 34.751 0.598 1 1 788 . 11 1 1 A 69 69 VAL N N 69 119.888 120.192 -0.304 1 1 789 . 11 1 1 A 70 70 ASN H H 70 8.651 8.795 -0.144 1 1 790 . 11 1 1 A 70 70 ASN HA H 70 4.345 4.272 0.073 1 1 795 . 11 1 1 A 70 70 ASN CA C 70 53.555 54.387 -0.832 1 1 796 . 11 1 1 A 70 70 ASN CB C 70 36.932 36.838 0.094 1 1 797 . 11 1 1 A 70 70 ASN N N 70 119.166 117.898 1.268 1 1 799 . 11 1 1 A 71 71 ILE H H 71 8.449 8.044 0.405 1 1 800 . 11 1 1 A 71 71 ILE HA H 71 4.235 4.014 0.221 1 1 810 . 11 1 1 A 71 71 ILE CA C 71 63.104 62.505 0.599 1 1 811 . 11 1 1 A 71 71 ILE CB C 71 37.200 37.061 0.139 1 1 815 . 11 1 1 A 71 71 ILE N N 71 121.388 119.514 1.874 1 1 816 . 11 1 1 A 72 72 THR H H 72 9.511 8.773 0.738 1 1 817 . 11 1 1 A 72 72 THR HA H 72 4.967 5.019 -0.052 1 1 822 . 11 1 1 A 72 72 THR CA C 72 59.584 58.705 0.879 1 1 823 . 11 1 1 A 72 72 THR CB C 72 71.930 70.468 1.462 1 1 825 . 11 1 1 A 72 72 THR N N 72 125.726 118.246 7.480 1 1 826 . 11 1 1 A 73 73 PRO HA H 73 4.822 4.627 0.195 1 1 833 . 11 1 1 A 73 73 PRO CA C 73 63.362 62.806 0.556 1 1 834 . 11 1 1 A 73 73 PRO CB C 73 32.451 32.343 0.108 1 1 837 . 11 1 1 A 74 74 ASP H H 74 8.404 8.869 -0.465 1 1 838 . 11 1 1 A 74 74 ASP HA H 74 4.824 4.968 -0.144 1 1 841 . 11 1 1 A 74 74 ASP CA C 74 52.609 53.009 -0.400 1 1 842 . 11 1 1 A 74 74 ASP CB C 74 43.743 43.235 0.508 1 1 843 . 11 1 1 A 74 74 ASP N N 74 122.325 122.310 0.015 1 1 844 . 11 1 1 A 75 75 ALA H H 75 8.539 8.862 -0.323 1 1 845 . 11 1 1 A 75 75 ALA HA H 75 4.062 4.004 0.058 1 1 849 . 11 1 1 A 75 75 ALA CA C 75 54.431 55.376 -0.945 1 1 850 . 11 1 1 A 75 75 ALA CB C 75 18.117 18.387 -0.270 1 1 851 . 11 1 1 A 75 75 ALA N N 75 123.501 127.532 -4.031 1 1 852 . 11 1 1 A 76 76 ASP H H 76 8.356 8.053 0.303 1 1 853 . 11 1 1 A 76 76 ASP HA H 76 4.815 4.538 0.277 1 1 856 . 11 1 1 A 76 76 ASP CA C 76 53.161 56.517 -3.356 1 1 857 . 11 1 1 A 76 76 ASP CB C 76 41.234 41.701 -0.467 1 1 858 . 11 1 1 A 76 76 ASP N N 76 115.326 118.589 -3.263 1 1 859 . 11 1 1 A 77 77 GLY H H 77 7.569 7.199 0.370 1 1 860 . 11 1 1 A 77 77 GLY HA2 H 77 3.925 4.128 -0.203 1 1 861 . 11 1 1 A 77 77 GLY HA3 H 77 4.508 4.136 0.372 1 1 862 . 11 1 1 A 77 77 GLY CA C 77 46.675 45.902 0.773 1 1 863 . 11 1 1 A 77 77 GLY N N 77 109.452 105.883 3.569 1 1 864 . 11 1 1 A 78 78 THR H H 78 8.272 7.997 0.275 1 1 865 . 11 1 1 A 78 78 THR HA H 78 4.655 5.033 -0.378 1 1 870 . 11 1 1 A 78 78 THR CA C 78 63.204 61.067 2.137 1 1 871 . 11 1 1 A 78 78 THR CB C 78 72.222 72.116 0.106 1 1 873 . 11 1 1 A 78 78 THR N N 78 122.442 113.404 9.038 1 1 874 . 11 1 1 A 79 79 THR H H 79 9.027 9.089 -0.062 1 1 875 . 11 1 1 A 79 79 THR HA H 79 5.164 5.583 -0.419 1 1 880 . 11 1 1 A 79 79 THR CA C 79 60.303 60.174 0.129 1 1 881 . 11 1 1 A 79 79 THR CB C 79 70.442 70.668 -0.226 1 1 883 . 11 1 1 A 79 79 THR N N 79 121.451 117.696 3.755 1 1 884 . 11 1 1 A 80 80 LEU H H 80 8.698 8.814 -0.116 1 1 885 . 11 1 1 A 80 80 LEU HA H 80 4.835 5.093 -0.258 1 1 895 . 11 1 1 A 80 80 LEU CA C 80 54.194 53.383 0.811 1 1 896 . 11 1 1 A 80 80 LEU CB C 80 44.576 46.072 -1.496 1 1 900 . 11 1 1 A 80 80 LEU N N 80 119.374 123.058 -3.684 1 1 901 . 11 1 1 A 81 81 THR H H 81 8.675 8.939 -0.264 1 1 902 . 11 1 1 A 81 81 THR HA H 81 4.740 4.874 -0.134 1 1 907 . 11 1 1 A 81 81 THR CA C 81 61.838 62.294 -0.456 1 1 908 . 11 1 1 A 81 81 THR CB C 81 70.190 69.465 0.725 1 1 910 . 11 1 1 A 81 81 THR N N 81 116.982 117.329 -0.347 1 1 911 . 11 1 1 A 82 82 LEU H H 82 8.898 8.990 -0.092 1 1 912 . 11 1 1 A 82 82 LEU HA H 82 4.748 4.904 -0.156 1 1 922 . 11 1 1 A 82 82 LEU CA C 82 53.076 54.145 -1.069 1 1 923 . 11 1 1 A 82 82 LEU CB C 82 43.189 43.150 0.039 1 1 927 . 11 1 1 A 82 82 LEU N N 82 130.905 129.933 0.972 1 1 928 . 11 1 1 A 83 83 ARG H H 83 9.162 8.951 0.211 1 1 929 . 11 1 1 A 83 83 ARG HA H 83 5.174 5.102 0.072 1 1 936 . 11 1 1 A 83 83 ARG CA C 83 54.441 54.576 -0.135 1 1 937 . 11 1 1 A 83 83 ARG CB C 83 31.332 33.284 -1.952 1 1 940 . 11 1 1 A 83 83 ARG N N 83 131.064 126.447 4.617 1 1 941 . 11 1 1 A 84 84 ILE H H 84 9.474 9.365 0.109 1 1 942 . 11 1 1 A 84 84 ILE HA H 84 4.611 4.725 -0.114 1 1 952 . 11 1 1 A 84 84 ILE CA C 84 60.486 60.494 -0.008 1 1 953 . 11 1 1 A 84 84 ILE CB C 84 40.120 39.775 0.345 1 1 957 . 11 1 1 A 84 84 ILE N N 84 128.394 124.207 4.187 1 1 958 . 11 1 1 A 85 85 GLN H H 85 9.137 9.122 0.015 1 1 959 . 11 1 1 A 85 85 GLN HA H 85 5.457 5.212 0.245 1 1 966 . 11 1 1 A 85 85 GLN CA C 85 53.109 54.743 -1.634 1 1 967 . 11 1 1 A 85 85 GLN CB C 85 32.450 30.399 2.051 1 1 969 . 11 1 1 A 85 85 GLN N N 85 124.857 126.805 -1.948 1 1 971 . 11 1 1 A 86 86 GLY H H 86 9.090 8.700 0.390 1 1 972 . 11 1 1 A 86 86 GLY HA2 H 86 3.813 4.084 -0.271 1 1 973 . 11 1 1 A 86 86 GLY HA3 H 86 4.499 4.100 0.399 1 1 974 . 11 1 1 A 86 86 GLY CA C 86 44.877 45.044 -0.167 1 1 975 . 11 1 1 A 86 86 GLY N N 86 110.702 110.199 0.503 1 1 976 . 11 1 1 A 87 87 GLU H H 87 8.128 8.813 -0.685 1 1 977 . 11 1 1 A 87 87 GLU HA H 87 4.472 4.214 0.258 1 1 982 . 11 1 1 A 87 87 GLU CA C 87 56.057 58.673 -2.616 1 1 983 . 11 1 1 A 87 87 GLU CB C 87 29.943 30.195 -0.252 1 1 985 . 11 1 1 A 87 87 GLU N N 87 120.445 121.647 -1.202 1 1 986 . 11 1 1 A 88 88 SER H H 88 8.063 7.790 0.273 1 1 987 . 11 1 1 A 88 88 SER HA H 88 4.469 4.691 -0.222 1 1 990 . 11 1 1 A 88 88 SER CA C 88 57.472 56.012 1.460 1 1 991 . 11 1 1 A 88 88 SER CB C 88 63.799 65.337 -1.538 1 1 992 . 11 1 1 A 88 88 SER N N 88 113.821 114.791 -0.970 1 1 993 . 11 1 1 A 89 89 ASN H H 89 8.502 8.686 -0.184 1 1 994 . 11 1 1 A 89 89 ASN HA H 89 4.533 4.889 -0.356 1 1 999 . 11 1 1 A 89 89 ASN CA C 89 53.715 53.827 -0.112 1 1 1000 . 11 1 1 A 89 89 ASN CB C 89 38.212 39.215 -1.003 1 1 1001 . 11 1 1 A 89 89 ASN N N 89 119.482 120.745 -1.263 1 1 1003 . 11 1 1 A 90 90 ASP H H 90 8.104 7.711 0.393 1 1 1004 . 11 1 1 A 90 90 ASP HA H 90 5.061 4.892 0.169 1 1 1007 . 11 1 1 A 90 90 ASP CA C 90 51.392 51.070 0.322 1 1 1008 . 11 1 1 A 90 90 ASP CB C 90 41.223 41.744 -0.521 1 1 1009 . 11 1 1 A 90 90 ASP N N 90 119.891 119.763 0.128 1 1 1010 . 11 1 1 A 91 91 PRO HA H 91 4.156 4.733 -0.577 1 1 1017 . 11 1 1 A 91 91 PRO CA C 91 62.200 62.559 -0.359 1 1 1018 . 11 1 1 A 91 91 PRO CB C 91 30.844 32.341 -1.497 1 1 1021 . 11 1 1 A 92 92 LEU H H 92 8.206 8.516 -0.310 1 1 1022 . 11 1 1 A 92 92 LEU HA H 92 4.504 4.561 -0.057 1 1 1032 . 11 1 1 A 92 92 LEU CA C 92 52.697 53.149 -0.452 1 1 1033 . 11 1 1 A 92 92 LEU CB C 92 41.249 41.164 0.085 1 1 1037 . 11 1 1 A 92 92 LEU N N 92 123.954 123.674 0.280 1 1 1038 . 11 1 1 A 93 93 PRO HA H 93 4.808 4.639 0.169 1 1 1045 . 11 1 1 A 93 93 PRO CA C 93 61.122 62.320 -1.198 1 1 1046 . 11 1 1 A 93 93 PRO CB C 93 32.289 32.926 -0.637 1 1 1049 . 11 1 1 A 94 94 ALA H H 94 8.420 8.494 -0.074 1 1 1050 . 11 1 1 A 94 94 ALA HA H 94 4.164 4.459 -0.295 1 1 1054 . 11 1 1 A 94 94 ALA CA C 94 52.655 52.829 -0.174 1 1 1055 . 11 1 1 A 94 94 ALA CB C 94 18.563 19.411 -0.848 1 1 1056 . 11 1 1 A 94 94 ALA N N 94 120.368 123.186 -2.818 1 1 1057 . 11 1 1 A 95 95 PHE H H 95 7.961 8.026 -0.065 1 1 1058 . 11 1 1 A 95 95 PHE HA H 95 5.489 5.609 -0.120 1 1 1066 . 11 1 1 A 95 95 PHE CA C 95 56.213 55.367 0.846 1 1 1067 . 11 1 1 A 95 95 PHE CB C 95 41.552 42.344 -0.792 1 1 1071 . 11 1 1 A 95 95 PHE N N 95 115.209 117.988 -2.779 1 1 1072 . 11 1 1 A 96 96 SER H H 96 9.231 9.089 0.142 1 1 1073 . 11 1 1 A 96 96 SER HA H 96 5.427 5.176 0.251 1 1 1076 . 11 1 1 A 96 96 SER CA C 96 55.549 57.158 -1.609 1 1 1077 . 11 1 1 A 96 96 SER CB C 96 66.681 66.380 0.301 1 1 1078 . 11 1 1 A 96 96 SER N N 96 114.106 113.647 0.459 1 1 1079 . 11 1 1 A 97 97 GLY H H 97 8.269 8.503 -0.234 1 1 1080 . 11 1 1 A 97 97 GLY HA2 H 97 4.612 4.289 0.323 1 1 1081 . 11 1 1 A 97 97 GLY HA3 H 97 3.571 4.313 -0.742 1 1 1082 . 11 1 1 A 97 97 GLY CA C 97 45.139 46.008 -0.869 1 1 1083 . 11 1 1 A 97 97 GLY N N 97 104.730 107.563 -2.833 1 1 1084 . 11 1 1 A 98 98 THR H H 98 8.068 8.650 -0.582 1 1 1085 . 11 1 1 A 98 98 THR HA H 98 4.836 5.313 -0.477 1 1 1090 . 11 1 1 A 98 98 THR CA C 98 62.462 61.207 1.255 1 1 1091 . 11 1 1 A 98 98 THR CB C 98 70.240 71.418 -1.178 1 1 1093 . 11 1 1 A 98 98 THR N N 98 115.596 115.290 0.306 1 1 1094 . 11 1 1 A 99 99 VAL H H 99 9.016 9.323 -0.307 1 1 1095 . 11 1 1 A 99 99 VAL HA H 99 5.040 5.191 -0.151 1 1 1103 . 11 1 1 A 99 99 VAL CA C 99 59.695 59.202 0.493 1 1 1104 . 11 1 1 A 99 99 VAL CB C 99 33.810 34.282 -0.472 1 1 1107 . 11 1 1 A 99 99 VAL N N 99 124.571 126.544 -1.973 1 1 1108 . 11 1 1 A 100 100 GLU H H 100 9.595 9.330 0.265 1 1 1109 . 11 1 1 A 100 100 GLU HA H 100 5.463 4.954 0.509 1 1 1114 . 11 1 1 A 100 100 GLU CA C 100 53.132 55.624 -2.492 1 1 1115 . 11 1 1 A 100 100 GLU CB C 100 31.806 30.740 1.066 1 1 1117 . 11 1 1 A 100 100 GLU N N 100 125.607 127.475 -1.868 1 1 1118 . 11 1 1 A 101 101 TYR H H 101 8.576 8.809 -0.233 1 1 1119 . 11 1 1 A 101 101 TYR HA H 101 4.568 5.534 -0.966 1 1 1126 . 11 1 1 A 101 101 TYR CA C 101 54.809 54.976 -0.167 1 1 1127 . 11 1 1 A 101 101 TYR CB C 101 39.516 41.430 -1.914 1 1 1130 . 11 1 1 A 101 101 TYR N N 101 117.224 121.866 -4.642 1 1 1131 . 11 1 1 A 102 102 GLY H H 102 6.489 7.244 -0.755 1 1 1132 . 11 1 1 A 102 102 GLY HA2 H 102 3.948 4.113 -0.165 1 1 1133 . 11 1 1 A 102 102 GLY HA3 H 102 4.190 4.147 0.043 1 1 1134 . 11 1 1 A 102 102 GLY CA C 102 46.509 45.761 0.748 1 1 1135 . 11 1 1 A 102 102 GLY N N 102 103.890 106.088 -2.198 1 1 1136 . 11 1 1 A 103 103 GLN H H 103 8.789 8.929 -0.140 1 1 1137 . 11 1 1 A 103 103 GLN HA H 103 4.893 5.160 -0.267 1 1 1144 . 11 1 1 A 103 103 GLN CA C 103 54.742 54.488 0.254 1 1 1145 . 11 1 1 A 103 103 GLN CB C 103 31.972 31.940 0.032 1 1 1147 . 11 1 1 A 103 103 GLN N N 103 121.055 120.183 0.872 1 1 1149 . 11 1 1 A 104 104 ILE H H 104 8.877 9.243 -0.366 1 1 1150 . 11 1 1 A 104 104 ILE HA H 104 5.033 4.570 0.463 1 1 1160 . 11 1 1 A 104 104 ILE CA C 104 59.495 60.914 -1.419 1 1 1161 . 11 1 1 A 104 104 ILE CB C 104 40.485 38.510 1.975 1 1 1165 . 11 1 1 A 104 104 ILE N N 104 119.483 122.893 -3.410 1 1 1166 . 11 1 1 A 105 105 GLN H H 105 8.807 8.830 -0.023 1 1 1167 . 11 1 1 A 105 105 GLN HA H 105 4.785 4.474 0.311 1 1 1174 . 11 1 1 A 105 105 GLN CA C 105 53.586 55.464 -1.878 1 1 1175 . 11 1 1 A 105 105 GLN CB C 105 32.029 28.524 3.505 1 1 1177 . 11 1 1 A 105 105 GLN N N 105 126.014 124.403 1.611 1 1 1179 . 11 1 1 A 106 106 GLY H H 106 8.680 7.902 0.778 1 1 1180 . 11 1 1 A 106 106 GLY HA2 H 106 4.878 4.177 0.701 1 1 1181 . 11 1 1 A 106 106 GLY HA3 H 106 3.898 4.220 -0.322 1 1 1182 . 11 1 1 A 106 106 GLY CA C 106 43.994 45.155 -1.161 1 1 1183 . 11 1 1 A 106 106 GLY N N 106 111.899 109.740 2.159 1 1 1184 . 11 1 1 A 107 107 THR H H 107 7.984 8.502 -0.518 1 1 1185 . 11 1 1 A 107 107 THR HA H 107 4.571 4.675 -0.104 1 1 1190 . 11 1 1 A 107 107 THR CA C 107 59.611 61.152 -1.541 1 1 1191 . 11 1 1 A 107 107 THR CB C 107 71.146 70.206 0.940 1 1 1193 . 11 1 1 A 107 107 THR N N 107 111.498 110.893 0.605 1 1 1194 . 11 1 1 A 108 108 ILE H H 108 8.345 8.707 -0.362 1 1 1195 . 11 1 1 A 108 108 ILE HA H 108 3.775 3.886 -0.111 1 1 1205 . 11 1 1 A 108 108 ILE CA C 108 62.916 63.537 -0.621 1 1 1206 . 11 1 1 A 108 108 ILE CB C 108 37.737 37.341 0.396 1 1 1210 . 11 1 1 A 108 108 ILE N N 108 117.576 121.197 -3.621 1 1 1211 . 11 1 1 A 109 109 ASP H H 109 7.753 7.726 0.027 1 1 1212 . 11 1 1 A 109 109 ASP HA H 109 4.564 4.676 -0.112 1 1 1215 . 11 1 1 A 109 109 ASP CA C 109 54.540 56.177 -1.637 1 1 1216 . 11 1 1 A 109 109 ASP CB C 109 41.360 42.160 -0.800 1 1 1217 . 11 1 1 A 109 109 ASP N N 109 116.045 120.323 -4.278 1 1 1218 . 11 1 1 A 110 110 ASN H H 110 7.719 8.282 -0.563 1 1 1219 . 11 1 1 A 110 110 ASN HA H 110 4.723 4.960 -0.237 1 1 1224 . 11 1 1 A 110 110 ASN CA C 110 53.036 51.850 1.186 1 1 1225 . 11 1 1 A 110 110 ASN CB C 110 38.443 39.680 -1.237 1 1 1226 . 11 1 1 A 110 110 ASN N N 110 119.075 114.403 4.672 1 1 1228 . 11 1 1 A 111 111 PHE H H 111 7.977 8.182 -0.205 1 1 1229 . 11 1 1 A 111 111 PHE HA H 111 5.249 5.822 -0.573 1 1 1237 . 11 1 1 A 111 111 PHE CA C 111 56.627 54.824 1.803 1 1 1238 . 11 1 1 A 111 111 PHE CB C 111 40.215 42.710 -2.495 1 1 1242 . 11 1 1 A 111 111 PHE N N 111 122.138 119.725 2.413 1 1 1243 . 11 1 1 A 112 112 GLN H H 112 8.715 8.690 0.025 1 1 1244 . 11 1 1 A 112 112 GLN HA H 112 4.540 4.915 -0.375 1 1 1251 . 11 1 1 A 112 112 GLN CA C 112 54.035 54.309 -0.274 1 1 1252 . 11 1 1 A 112 112 GLN CB C 112 31.861 31.782 0.079 1 1 1254 . 11 1 1 A 112 112 GLN N N 112 119.575 119.089 0.486 1 1 1256 . 11 1 1 A 113 113 GLU H H 113 8.546 8.848 -0.302 1 1 1257 . 11 1 1 A 113 113 GLU HA H 113 4.780 4.984 -0.204 1 1 1262 . 11 1 1 A 113 113 GLU CA C 113 55.412 56.012 -0.600 1 1 1263 . 11 1 1 A 113 113 GLU CB C 113 29.886 30.471 -0.585 1 1 1265 . 11 1 1 A 113 113 GLU N N 113 122.846 123.261 -0.415 1 1 1266 . 11 1 1 A 114 114 ILE H H 114 8.913 8.654 0.259 1 1 1267 . 11 1 1 A 114 114 ILE HA H 114 4.662 4.686 -0.024 1 1 1277 . 11 1 1 A 114 114 ILE CA C 114 59.144 59.291 -0.147 1 1 1278 . 11 1 1 A 114 114 ILE CB C 114 41.873 41.030 0.843 1 1 1282 . 11 1 1 A 114 114 ILE N N 114 120.222 120.094 0.128 1 1 1283 . 11 1 1 A 115 115 ASN H H 115 8.916 8.752 0.164 1 1 1284 . 11 1 1 A 115 115 ASN HA H 115 4.340 4.216 0.124 1 1 1289 . 11 1 1 A 115 115 ASN CA C 115 53.444 54.158 -0.714 1 1 1290 . 11 1 1 A 115 115 ASN CB C 115 36.467 37.080 -0.613 1 1 1291 . 11 1 1 A 115 115 ASN N N 115 120.916 118.745 2.171 1 1 1293 . 11 1 1 A 116 116 VAL H H 116 8.044 7.817 0.227 1 1 1294 . 11 1 1 A 116 116 VAL HA H 116 4.389 4.681 -0.292 1 1 1302 . 11 1 1 A 116 116 VAL CA C 116 63.183 61.016 2.167 1 1 1303 . 11 1 1 A 116 116 VAL CB C 116 32.216 32.716 -0.500 1 1 1306 . 11 1 1 A 116 116 VAL N N 116 117.046 118.772 -1.726 1 1 1307 . 11 1 1 A 117 117 GLN H H 117 8.582 8.326 0.256 1 1 1308 . 11 1 1 A 117 117 GLN HA H 117 4.550 4.717 -0.167 1 1 1315 . 11 1 1 A 117 117 GLN CA C 117 53.827 53.869 -0.042 1 1 1316 . 11 1 1 A 117 117 GLN CB C 117 33.119 31.777 1.342 1 1 1318 . 11 1 1 A 117 117 GLN N N 117 127.086 126.515 0.571 1 1 1320 . 11 1 1 A 118 118 ASN H H 118 8.330 8.758 -0.428 1 1 1321 . 11 1 1 A 118 118 ASN HA H 118 5.845 6.092 -0.247 1 1 1326 . 11 1 1 A 118 118 ASN CA C 118 51.736 51.759 -0.023 1 1 1327 . 11 1 1 A 118 118 ASN CB C 118 42.644 41.090 1.554 1 1 1328 . 11 1 1 A 118 118 ASN N N 118 113.251 117.620 -4.369 1 1 1330 . 11 1 1 A 119 119 GLN H H 119 9.187 8.747 0.440 1 1 1331 . 11 1 1 A 119 119 GLN HA H 119 4.693 5.038 -0.345 1 1 1338 . 11 1 1 A 119 119 GLN CA C 119 55.160 54.573 0.587 1 1 1339 . 11 1 1 A 119 119 GLN CB C 119 34.157 32.706 1.451 1 1 1341 . 11 1 1 A 119 119 GLN N N 119 116.799 121.547 -4.748 1 1 1343 . 11 1 1 A 120 120 LEU H H 120 8.544 8.709 -0.165 1 1 1344 . 11 1 1 A 120 120 LEU HA H 120 5.059 4.842 0.217 1 1 1354 . 11 1 1 A 120 120 LEU CA C 120 54.327 53.814 0.513 1 1 1355 . 11 1 1 A 120 120 LEU CB C 120 42.839 41.523 1.316 1 1 1359 . 11 1 1 A 120 120 LEU N N 120 123.292 126.818 -3.526 1 1 1360 . 11 1 1 A 121 121 ILE H H 121 8.657 9.217 -0.560 1 1 1361 . 11 1 1 A 121 121 ILE HA H 121 4.778 4.925 -0.147 1 1 1371 . 11 1 1 A 121 121 ILE CA C 121 58.770 60.102 -1.332 1 1 1372 . 11 1 1 A 121 121 ILE CB C 121 41.582 39.443 2.139 1 1 1376 . 11 1 1 A 121 121 ILE N N 121 116.046 123.023 -6.977 1 1 1377 . 11 1 1 A 122 122 ASN H H 122 8.329 9.100 -0.771 1 1 1378 . 11 1 1 A 122 122 ASN HA H 122 5.068 5.288 -0.220 1 1 1383 . 11 1 1 A 122 122 ASN CA C 122 52.654 52.224 0.430 1 1 1384 . 11 1 1 A 122 122 ASN CB C 122 42.112 40.663 1.449 1 1 1385 . 11 1 1 A 122 122 ASN N N 122 118.416 126.117 -7.701 1 1 1387 . 11 1 1 A 123 123 ALA H H 123 8.547 8.836 -0.289 1 1 1388 . 11 1 1 A 123 123 ALA HA H 123 4.597 4.660 -0.063 1 1 1392 . 11 1 1 A 123 123 ALA CA C 123 48.537 48.911 -0.374 1 1 1393 . 11 1 1 A 123 123 ALA CB C 123 19.998 21.694 -1.696 1 1 1394 . 11 1 1 A 123 123 ALA N N 123 124.108 124.505 -0.397 1 1 1395 . 11 1 1 A 124 124 PRO HA H 124 4.537 4.480 0.057 1 1 1402 . 11 1 1 A 124 124 PRO CA C 124 60.979 62.270 -1.291 1 1 1403 . 11 1 1 A 124 124 PRO CB C 124 32.285 32.572 -0.287 1 1 1406 . 11 1 1 A 125 125 ALA H H 125 8.587 8.274 0.313 1 1 1407 . 11 1 1 A 125 125 ALA HA H 125 3.899 4.420 -0.521 1 1 1411 . 11 1 1 A 125 125 ALA CA C 125 52.692 52.030 0.662 1 1 1412 . 11 1 1 A 125 125 ALA CB C 125 18.631 19.511 -0.880 1 1 1413 . 11 1 1 A 125 125 ALA N N 125 121.333 123.039 -1.706 1 1 1414 . 11 1 1 A 126 126 SER H H 126 8.227 9.008 -0.781 1 1 1415 . 11 1 1 A 126 126 SER HA H 126 4.616 4.464 0.152 1 1 1418 . 11 1 1 A 126 126 SER CA C 126 59.168 59.824 -0.656 1 1 1419 . 11 1 1 A 126 126 SER CB C 126 64.636 63.432 1.204 1 1 1420 . 11 1 1 A 126 126 SER N N 126 118.947 118.092 0.855 1 1 1421 . 11 1 1 A 127 127 VAL H H 127 8.595 8.840 -0.245 1 1 1422 . 11 1 1 A 127 127 VAL HA H 127 4.276 4.315 -0.039 1 1 1430 . 11 1 1 A 127 127 VAL CA C 127 62.194 63.037 -0.843 1 1 1431 . 11 1 1 A 127 127 VAL CB C 127 32.852 32.892 -0.040 1 1 1434 . 11 1 1 A 127 127 VAL N N 127 117.209 121.966 -4.757 1 1 1435 . 11 1 1 A 128 128 LEU H H 128 7.844 7.665 0.179 1 1 1436 . 11 1 1 A 128 128 LEU HA H 128 4.588 4.717 -0.129 1 1 1446 . 11 1 1 A 128 128 LEU CA C 128 53.639 53.316 0.323 1 1 1447 . 11 1 1 A 128 128 LEU CB C 128 44.574 44.419 0.155 1 1 1451 . 11 1 1 A 128 128 LEU N N 128 121.103 121.654 -0.551 1 1 1452 . 11 1 1 A 129 129 ALA H H 129 8.377 8.729 -0.352 1 1 1453 . 11 1 1 A 129 129 ALA HA H 129 4.538 4.608 -0.070 1 1 1457 . 11 1 1 A 129 129 ALA CA C 129 53.476 50.665 2.811 1 1 1458 . 11 1 1 A 129 129 ALA CB C 129 20.982 18.302 2.680 1 1 1459 . 11 1 1 A 129 129 ALA N N 129 123.679 128.680 -5.001 1 1 1460 . 11 1 1 A 130 130 PRO HA H 130 4.669 4.560 0.109 1 1 1467 . 11 1 1 A 130 130 PRO CA C 130 62.314 62.290 0.024 1 1 1468 . 11 1 1 A 130 130 PRO CB C 130 33.473 32.414 1.059 1 1 1471 . 11 1 1 A 131 131 SER H H 131 9.365 8.278 1.087 1 1 1472 . 11 1 1 A 131 131 SER HA H 131 4.520 4.572 -0.052 1 1 1475 . 11 1 1 A 131 131 SER CA C 131 59.385 60.375 -0.990 1 1 1476 . 11 1 1 A 131 131 SER CB C 131 63.866 63.990 -0.124 1 1 1477 . 11 1 1 A 131 131 SER N N 131 122.226 118.126 4.100 1 1 1478 . 11 1 1 A 132 132 ASP H H 132 8.608 8.754 -0.146 1 1 1479 . 11 1 1 A 132 132 ASP HA H 132 5.260 5.069 0.191 1 1 1482 . 11 1 1 A 132 132 ASP CA C 132 53.345 52.955 0.390 1 1 1483 . 11 1 1 A 132 132 ASP CB C 132 41.791 40.945 0.846 1 1 1484 . 11 1 1 A 132 132 ASP N N 132 124.814 119.565 5.249 1 1 1485 . 11 1 1 A 133 133 VAL H H 133 9.405 7.166 2.239 1 1 1486 . 11 1 1 A 133 133 VAL HA H 133 4.226 3.940 0.286 1 1 1494 . 11 1 1 A 133 133 VAL CA C 133 61.669 63.114 -1.445 1 1 1495 . 11 1 1 A 133 133 VAL CB C 133 34.448 31.706 2.742 1 1 1498 . 11 1 1 A 133 133 VAL N N 133 127.192 121.354 5.838 1 1 1499 . 11 1 1 A 134 134 ASP H H 134 8.468 8.857 -0.389 1 1 1500 . 11 1 1 A 134 134 ASP HA H 134 5.368 5.515 -0.147 1 1 1503 . 11 1 1 A 134 134 ASP CA C 134 52.326 52.526 -0.200 1 1 1504 . 11 1 1 A 134 134 ASP CB C 134 41.245 42.351 -1.106 1 1 1505 . 11 1 1 A 134 134 ASP N N 134 127.161 126.837 0.324 1 1 1506 . 11 1 1 A 135 135 ILE H H 135 9.406 8.938 0.468 1 1 1507 . 11 1 1 A 135 135 ILE HA H 135 4.636 4.882 -0.246 1 1 1517 . 11 1 1 A 135 135 ILE CA C 135 57.478 56.896 0.582 1 1 1518 . 11 1 1 A 135 135 ILE CB C 135 39.411 40.657 -1.246 1 1 1522 . 11 1 1 A 135 135 ILE N N 135 125.603 120.080 5.523 1 1 1523 . 11 1 1 A 136 136 PRO HA H 136 4.844 4.835 0.009 1 1 1530 . 11 1 1 A 136 136 PRO CA C 136 62.314 62.252 0.062 1 1 1531 . 11 1 1 A 136 136 PRO CB C 136 31.563 32.179 -0.616 1 1 1534 . 11 1 1 A 137 137 LEU H H 137 9.196 8.649 0.547 1 1 1535 . 11 1 1 A 137 137 LEU HA H 137 4.739 4.840 -0.101 1 1 1545 . 11 1 1 A 137 137 LEU CA C 137 53.609 53.175 0.434 1 1 1546 . 11 1 1 A 137 137 LEU CB C 137 45.473 45.032 0.441 1 1 1550 . 11 1 1 A 137 137 LEU N N 137 124.087 121.940 2.147 1 1 1551 . 11 1 1 A 138 138 GLN H H 138 8.928 9.038 -0.110 1 1 1552 . 11 1 1 A 138 138 GLN HA H 138 4.581 4.943 -0.362 1 1 1559 . 11 1 1 A 138 138 GLN CA C 138 54.780 54.387 0.393 1 1 1560 . 11 1 1 A 138 138 GLN CB C 138 29.048 31.436 -2.388 1 1 1562 . 11 1 1 A 138 138 GLN N N 138 122.528 128.199 -5.671 1 1 1564 . 11 1 1 A 139 139 LEU H H 139 9.039 9.434 -0.395 1 1 1565 . 11 1 1 A 139 139 LEU HA H 139 4.205 4.612 -0.407 1 1 1575 . 11 1 1 A 139 139 LEU CA C 139 52.367 53.146 -0.779 1 1 1576 . 11 1 1 A 139 139 LEU CB C 139 38.673 43.929 -5.256 1 1 1580 . 11 1 1 A 139 139 LEU N N 139 127.667 128.233 -0.566 1 1 1581 . 11 1 1 A 140 140 LYS H H 140 8.078 8.531 -0.453 1 1 1582 . 11 1 1 A 140 140 LYS HA H 140 4.352 4.549 -0.197 1 1 1591 . 11 1 1 A 140 140 LYS CA C 140 56.826 55.326 1.500 1 1 1592 . 11 1 1 A 140 140 LYS CB C 140 32.657 34.379 -1.722 1 1 1596 . 11 1 1 A 140 140 LYS N N 140 124.108 121.904 2.204 1 1 1597 . 11 1 1 A 141 141 GLY H H 141 9.166 8.767 0.399 1 1 1598 . 11 1 1 A 141 141 GLY HA2 H 141 3.788 4.002 -0.214 1 1 1599 . 11 1 1 A 141 141 GLY HA3 H 141 4.119 4.015 0.104 1 1 1600 . 11 1 1 A 141 141 GLY CA C 141 45.682 45.428 0.254 1 1 1601 . 11 1 1 A 141 141 GLY N N 141 110.698 111.223 -0.525 1 1 1602 . 11 1 1 A 142 142 ILE H H 142 7.112 8.008 -0.896 1 1 1603 . 11 1 1 A 142 142 ILE HA H 142 4.600 4.499 0.101 1 1 1613 . 11 1 1 A 142 142 ILE CA C 142 58.547 60.768 -2.221 1 1 1614 . 11 1 1 A 142 142 ILE CB C 142 40.437 38.652 1.785 1 1 1618 . 11 1 1 A 142 142 ILE N N 142 117.928 122.977 -5.049 1 1 1619 . 11 1 1 A 143 143 SER H H 143 8.381 8.886 -0.505 1 1 1620 . 11 1 1 A 143 143 SER HA H 143 4.613 4.473 0.140 1 1 1623 . 11 1 1 A 143 143 SER CA C 143 56.654 58.289 -1.635 1 1 1624 . 11 1 1 A 143 143 SER CB C 143 65.051 64.136 0.915 1 1 1625 . 11 1 1 A 143 143 SER N N 143 123.373 124.831 -1.458 1 1 1626 . 11 1 1 A 144 144 VAL H H 144 8.702 8.621 0.081 1 1 1627 . 11 1 1 A 144 144 VAL HA H 144 3.593 3.899 -0.306 1 1 1635 . 11 1 1 A 144 144 VAL CA C 144 65.655 65.082 0.573 1 1 1636 . 11 1 1 A 144 144 VAL CB C 144 31.434 31.783 -0.349 1 1 1639 . 11 1 1 A 144 144 VAL N N 144 120.791 126.203 -5.412 1 1 1640 . 11 1 1 A 145 145 ASP H H 145 8.151 8.227 -0.076 1 1 1641 . 11 1 1 A 145 145 ASP HA H 145 4.435 4.415 0.020 1 1 1644 . 11 1 1 A 145 145 ASP CA C 145 55.211 56.916 -1.705 1 1 1645 . 11 1 1 A 145 145 ASP CB C 145 40.268 41.022 -0.754 1 1 1646 . 11 1 1 A 145 145 ASP N N 145 115.698 121.047 -5.349 1 1 1647 . 11 1 1 A 146 146 GLN H H 146 7.553 7.560 -0.007 1 1 1648 . 11 1 1 A 146 146 GLN HA H 146 4.302 4.407 -0.105 1 1 1655 . 11 1 1 A 146 146 GLN CA C 146 55.072 55.632 -0.560 1 1 1656 . 11 1 1 A 146 146 GLN CB C 146 29.990 29.516 0.474 1 1 1658 . 11 1 1 A 146 146 GLN N N 146 117.118 115.876 1.242 1 1 1660 . 11 1 1 A 147 147 LEU H H 147 7.368 7.270 0.098 1 1 1661 . 11 1 1 A 147 147 LEU HA H 147 4.119 4.339 -0.220 1 1 1671 . 11 1 1 A 147 147 LEU CA C 147 54.904 54.714 0.190 1 1 1672 . 11 1 1 A 147 147 LEU CB C 147 40.355 42.220 -1.865 1 1 1676 . 11 1 1 A 147 147 LEU N N 147 121.541 121.428 0.113 1 1 1677 . 11 1 1 A 148 148 GLY H H 148 8.791 8.390 0.401 1 1 1678 . 11 1 1 A 148 148 GLY HA2 H 148 4.512 4.158 0.354 1 1 1679 . 11 1 1 A 148 148 GLY HA3 H 148 3.997 4.218 -0.221 1 1 1680 . 11 1 1 A 148 148 GLY CA C 148 45.610 46.382 -0.772 1 1 1681 . 11 1 1 A 148 148 GLY N N 148 116.322 113.040 3.282 1 1 1682 . 11 1 1 A 149 149 PHE H H 149 7.790 7.846 -0.056 1 1 1683 . 11 1 1 A 149 149 PHE HA H 149 5.215 5.328 -0.113 1 1 1691 . 11 1 1 A 149 149 PHE CA C 149 56.942 55.797 1.145 1 1 1692 . 11 1 1 A 149 149 PHE CB C 149 42.019 43.449 -1.430 1 1 1696 . 11 1 1 A 149 149 PHE N N 149 113.675 113.958 -0.283 1 1 1697 . 11 1 1 A 150 150 VAL H H 150 8.549 8.991 -0.442 1 1 1698 . 11 1 1 A 150 150 VAL HA H 150 4.776 4.624 0.152 1 1 1706 . 11 1 1 A 150 150 VAL CA C 150 61.068 61.557 -0.489 1 1 1707 . 11 1 1 A 150 150 VAL CB C 150 34.594 33.972 0.622 1 1 1710 . 11 1 1 A 150 150 VAL N N 150 118.208 119.829 -1.621 1 1 1711 . 11 1 1 A 151 151 ARG H H 151 9.953 9.365 0.588 1 1 1712 . 11 1 1 A 151 151 ARG HA H 151 5.783 5.242 0.541 1 1 1719 . 11 1 1 A 151 151 ARG CA C 151 53.530 55.407 -1.877 1 1 1720 . 11 1 1 A 151 151 ARG CB C 151 33.540 31.515 2.025 1 1 1723 . 11 1 1 A 151 151 ARG N N 151 128.446 128.788 -0.342 1 1 1724 . 11 1 1 A 152 152 ILE H H 152 8.905 8.721 0.184 1 1 1725 . 11 1 1 A 152 152 ILE HA H 152 5.188 4.982 0.206 1 1 1735 . 11 1 1 A 152 152 ILE CA C 152 60.464 60.531 -0.067 1 1 1736 . 11 1 1 A 152 152 ILE CB C 152 39.542 39.185 0.357 1 1 1740 . 11 1 1 A 152 152 ILE N N 152 127.149 128.776 -1.627 1 1 1741 . 11 1 1 A 153 153 HIS H H 153 8.941 8.587 0.354 1 1 1742 . 11 1 1 A 153 153 HIS HA H 153 5.074 4.935 0.139 1 1 1747 . 11 1 1 A 153 153 HIS CA C 153 53.417 54.748 -1.331 1 1 1748 . 11 1 1 A 153 153 HIS CB C 153 31.734 32.193 -0.459 1 1 1751 . 11 1 1 A 153 153 HIS N N 153 119.132 122.504 -3.372 1 1 1752 . 11 1 1 A 154 154 ASP H H 154 9.109 8.873 0.236 1 1 1753 . 11 1 1 A 154 154 ASP HA H 154 4.276 4.143 0.133 1 1 1756 . 11 1 1 A 154 154 ASP CA C 154 55.630 55.449 0.181 1 1 1757 . 11 1 1 A 154 154 ASP CB C 154 39.450 39.063 0.387 1 1 1758 . 11 1 1 A 154 154 ASP N N 154 116.420 116.475 -0.055 1 1 1759 . 11 1 1 A 155 155 ILE H H 155 8.062 8.021 0.041 1 1 1760 . 11 1 1 A 155 155 ILE HA H 155 5.051 4.494 0.557 1 1 1770 . 11 1 1 A 155 155 ILE CA C 155 59.666 61.537 -1.871 1 1 1771 . 11 1 1 A 155 155 ILE CB C 155 35.757 37.043 -1.286 1 1 1775 . 11 1 1 A 155 155 ILE N N 155 119.131 119.610 -0.479 1 1 1776 . 11 1 1 A 156 156 GLN H H 156 9.011 9.009 0.002 1 1 1777 . 11 1 1 A 156 156 GLN HA H 156 4.993 4.959 0.034 1 1 1784 . 11 1 1 A 156 156 GLN CA C 156 51.975 52.935 -0.960 1 1 1785 . 11 1 1 A 156 156 GLN CB C 156 31.210 32.000 -0.790 1 1 1787 . 11 1 1 A 156 156 GLN N N 156 127.177 124.674 2.503 1 1 1789 . 11 1 1 A 157 157 PRO HA H 157 4.964 4.960 0.004 1 1 1796 . 11 1 1 A 157 157 PRO CA C 157 61.770 62.860 -1.090 1 1 1797 . 11 1 1 A 157 157 PRO CB C 157 31.637 32.599 -0.962 1 1 1800 . 11 1 1 A 158 158 VAL H H 158 7.921 8.322 -0.401 1 1 1801 . 11 1 1 A 158 158 VAL HA H 158 4.107 4.855 -0.748 1 1 1809 . 11 1 1 A 158 158 VAL CA C 158 62.234 59.471 2.763 1 1 1810 . 11 1 1 A 158 158 VAL CB C 158 32.610 34.599 -1.989 1 1 1813 . 11 1 1 A 158 158 VAL N N 158 121.642 115.420 6.222 1 1 1814 . 11 1 1 A 159 159 MET H H 159 8.544 8.553 -0.009 1 1 1815 . 11 1 1 A 159 159 MET HA H 159 4.548 4.659 -0.111 1 1 1820 . 11 1 1 A 159 159 MET CA C 159 54.731 54.328 0.403 1 1 1821 . 11 1 1 A 159 159 MET CB C 159 32.547 31.148 1.399 1 1 1823 . 11 1 1 A 159 159 MET N N 159 124.452 120.182 4.270 1 1 1824 . 11 1 1 A 160 160 GLN H H 160 8.434 8.621 -0.187 1 1 1825 . 11 1 1 A 160 160 GLN HA H 160 4.354 4.752 -0.398 1 1 1832 . 11 1 1 A 160 160 GLN CA C 160 55.399 55.049 0.350 1 1 1833 . 11 1 1 A 160 160 GLN CB C 160 29.112 30.510 -1.398 1 1 1835 . 11 1 1 A 160 160 GLN N N 160 121.917 125.097 -3.180 1 1 1837 . 11 1 1 A 161 161 LEU H H 161 8.325 8.660 -0.335 1 1 1838 . 11 1 1 A 161 161 LEU HA H 161 4.314 4.543 -0.229 1 1 1848 . 11 1 1 A 161 161 LEU CA C 161 55.040 54.659 0.381 1 1 1849 . 11 1 1 A 161 161 LEU CB C 161 42.225 40.644 1.581 1 1 1853 . 11 1 1 A 161 161 LEU N N 161 123.826 126.914 -3.088 1 1 1854 . 11 1 1 A 162 162 GLU H H 162 8.358 8.835 -0.477 1 1 1855 . 11 1 1 A 162 162 GLU HA H 162 4.216 5.101 -0.885 1 1 1860 . 11 1 1 A 162 162 GLU CA C 162 56.343 54.010 2.333 1 1 1861 . 11 1 1 A 162 162 GLU CB C 162 30.083 32.353 -2.270 1 1 1863 . 11 1 1 A 162 162 GLU N N 162 121.293 122.416 -1.123 1 1 1864 . 11 1 1 A 163 163 HIS H H 163 8.376 8.416 -0.040 1 1 1865 . 11 1 1 A 163 163 HIS HA H 163 4.641 5.479 -0.838 1 1 1868 . 11 1 1 A 163 163 HIS CA C 163 55.437 53.577 1.860 1 1 1869 . 11 1 1 A 163 163 HIS CB C 163 29.412 32.353 -2.941 1 1 1870 . 11 1 1 A 163 163 HIS N N 163 121.307 115.755 5.552 1 1 1871 . 11 1 1 A 164 164 HIS H H 164 8.289 8.649 -0.360 1 1 1872 . 11 1 1 A 164 164 HIS N N 164 125.228 122.890 2.338 1 1 1873 . 11 1 1 A 166 166 HIS HA H 166 4.300 5.315 -1.015 1 1 1876 . 11 1 1 A 166 166 HIS CA C 166 55.708 55.203 0.505 1 1 1877 . 11 1 1 A 166 166 HIS CB C 166 29.207 32.374 -3.167 1 1 1878 . 11 1 1 A 167 167 HIS H H 167 8.591 8.497 0.094 1 1 1879 . 11 1 1 A 167 167 HIS HA H 167 4.541 4.895 -0.354 1 1 1882 . 11 1 1 A 167 167 HIS CA C 167 54.678 55.223 -0.545 1 1 1883 . 11 1 1 A 167 167 HIS CB C 167 26.256 30.859 -4.603 1 1 1884 . 11 1 1 A 167 167 HIS N N 167 121.317 116.595 4.722 1 1 1 . 12 1 1 A 2 2 VAL HA H 2 3.850 4.636 -0.786 1 1 9 . 12 1 1 A 2 2 VAL CA C 2 61.400 61.397 0.003 1 1 10 . 12 1 1 A 2 2 VAL CB C 2 32.400 32.954 -0.554 1 1 13 . 12 1 1 A 3 3 GLN HA H 3 4.445 4.976 -0.531 1 1 18 . 12 1 1 A 3 3 GLN CA C 3 55.467 53.644 1.823 1 1 19 . 12 1 1 A 3 3 GLN CB C 3 29.271 32.323 -3.052 1 1 21 . 12 1 1 A 4 4 GLN H H 4 8.703 8.445 0.258 1 1 22 . 12 1 1 A 4 4 GLN HA H 4 4.356 4.665 -0.309 1 1 27 . 12 1 1 A 4 4 GLN CA C 4 55.961 55.840 0.121 1 1 28 . 12 1 1 A 4 4 GLN CB C 4 29.178 29.701 -0.523 1 1 30 . 12 1 1 A 4 4 GLN N N 4 123.281 121.326 1.955 1 1 31 . 12 1 1 A 5 5 SER H H 5 8.426 8.671 -0.245 1 1 32 . 12 1 1 A 5 5 SER HA H 5 4.424 5.090 -0.666 1 1 35 . 12 1 1 A 5 5 SER CA C 5 58.498 56.998 1.500 1 1 36 . 12 1 1 A 5 5 SER CB C 5 63.534 63.887 -0.353 1 1 37 . 12 1 1 A 5 5 SER N N 5 116.845 119.397 -2.552 1 1 38 . 12 1 1 A 6 6 GLU H H 6 8.434 9.048 -0.614 1 1 39 . 12 1 1 A 6 6 GLU HA H 6 4.342 4.715 -0.373 1 1 44 . 12 1 1 A 6 6 GLU CA C 6 56.410 55.984 0.426 1 1 45 . 12 1 1 A 6 6 GLU CB C 6 29.873 30.205 -0.332 1 1 47 . 12 1 1 A 6 6 GLU N N 6 122.965 126.484 -3.519 1 1 48 . 12 1 1 A 7 7 VAL H H 7 8.131 8.939 -0.808 1 1 49 . 12 1 1 A 7 7 VAL HA H 7 4.063 5.115 -1.052 1 1 57 . 12 1 1 A 7 7 VAL CA C 7 62.213 59.289 2.924 1 1 58 . 12 1 1 A 7 7 VAL CB C 7 32.391 35.322 -2.931 1 1 61 . 12 1 1 A 7 7 VAL N N 7 121.508 117.834 3.674 1 1 62 . 12 1 1 A 8 8 ARG H H 8 8.376 8.460 -0.084 1 1 63 . 12 1 1 A 8 8 ARG HA H 8 4.335 4.999 -0.664 1 1 70 . 12 1 1 A 8 8 ARG CA C 8 56.013 54.422 1.591 1 1 71 . 12 1 1 A 8 8 ARG CB C 8 30.528 33.485 -2.957 1 1 74 . 12 1 1 A 8 8 ARG N N 8 124.504 120.899 3.605 1 1 75 . 12 1 1 A 9 9 GLN H H 9 8.360 8.772 -0.412 1 1 76 . 12 1 1 A 9 9 GLN HA H 9 4.353 5.017 -0.664 1 1 81 . 12 1 1 A 9 9 GLN CA C 9 55.446 54.600 0.846 1 1 82 . 12 1 1 A 9 9 GLN CB C 9 29.236 32.101 -2.865 1 1 84 . 12 1 1 A 9 9 GLN N N 9 121.537 122.645 -1.108 1 1 85 . 12 1 1 A 10 10 MET H H 10 8.391 8.864 -0.473 1 1 86 . 12 1 1 A 10 10 MET HA H 10 4.459 5.147 -0.688 1 1 91 . 12 1 1 A 10 10 MET CA C 10 55.062 53.839 1.223 1 1 92 . 12 1 1 A 10 10 MET CB C 10 32.482 35.727 -3.245 1 1 94 . 12 1 1 A 10 10 MET N N 10 122.199 124.094 -1.895 1 1 95 . 12 1 1 A 11 11 LYS H H 11 8.317 8.384 -0.067 1 1 96 . 12 1 1 A 11 11 LYS HA H 11 4.296 4.780 -0.484 1 1 105 . 12 1 1 A 11 11 LYS CA C 11 56.114 55.408 0.706 1 1 106 . 12 1 1 A 11 11 LYS CB C 11 32.372 34.928 -2.556 1 1 110 . 12 1 1 A 11 11 LYS N N 11 122.440 119.611 2.829 1 1 111 . 12 1 1 A 12 12 HIS H H 12 8.489 8.709 -0.220 1 1 112 . 12 1 1 A 12 12 HIS HA H 12 4.748 5.586 -0.838 1 1 116 . 12 1 1 A 12 12 HIS CA C 12 55.052 54.140 0.912 1 1 117 . 12 1 1 A 12 12 HIS CB C 12 29.094 33.495 -4.401 1 1 119 . 12 1 1 A 12 12 HIS N N 12 119.934 116.845 3.089 1 1 120 . 12 1 1 A 13 13 SER H H 13 8.401 9.172 -0.771 1 1 121 . 12 1 1 A 13 13 SER HA H 13 4.518 5.098 -0.580 1 1 124 . 12 1 1 A 13 13 SER CA C 13 57.855 56.603 1.252 1 1 125 . 12 1 1 A 13 13 SER CB C 13 63.750 65.987 -2.237 1 1 126 . 12 1 1 A 13 13 SER N N 13 117.596 113.887 3.709 1 1 127 . 12 1 1 A 14 14 VAL H H 14 8.285 8.994 -0.709 1 1 128 . 12 1 1 A 14 14 VAL HA H 14 4.239 4.954 -0.715 1 1 136 . 12 1 1 A 14 14 VAL CA C 14 62.078 59.894 2.184 1 1 137 . 12 1 1 A 14 14 VAL CB C 14 32.564 34.112 -1.548 1 1 140 . 12 1 1 A 14 14 VAL N N 14 121.378 123.404 -2.026 1 1 141 . 12 1 1 A 15 15 SER H H 15 8.419 8.952 -0.533 1 1 142 . 12 1 1 A 15 15 SER HA H 15 4.556 5.220 -0.664 1 1 145 . 12 1 1 A 15 15 SER CA C 15 57.855 57.202 0.653 1 1 146 . 12 1 1 A 15 15 SER CB C 15 63.600 66.276 -2.676 1 1 147 . 12 1 1 A 15 15 SER N N 15 119.022 125.623 -6.601 1 1 148 . 12 1 1 A 16 16 THR H H 16 8.189 8.682 -0.493 1 1 149 . 12 1 1 A 16 16 THR HA H 16 4.362 4.981 -0.619 1 1 154 . 12 1 1 A 16 16 THR CA C 16 61.510 60.681 0.829 1 1 155 . 12 1 1 A 16 16 THR CB C 16 69.292 69.978 -0.686 1 1 157 . 12 1 1 A 16 16 THR N N 16 116.040 116.384 -0.344 1 1 158 . 12 1 1 A 17 17 LEU H H 17 8.168 9.040 -0.872 1 1 159 . 12 1 1 A 17 17 LEU HA H 17 4.331 4.853 -0.522 1 1 169 . 12 1 1 A 17 17 LEU CA C 17 55.446 53.820 1.626 1 1 170 . 12 1 1 A 17 17 LEU CB C 17 42.032 42.284 -0.252 1 1 174 . 12 1 1 A 17 17 LEU N N 17 123.796 128.197 -4.401 1 1 175 . 12 1 1 A 18 18 ASN H H 18 8.406 8.954 -0.548 1 1 176 . 12 1 1 A 18 18 ASN HA H 18 4.685 4.941 -0.256 1 1 181 . 12 1 1 A 18 18 ASN CA C 18 53.276 53.376 -0.100 1 1 182 . 12 1 1 A 18 18 ASN CB C 18 38.462 39.171 -0.709 1 1 183 . 12 1 1 A 18 18 ASN N N 18 119.197 124.666 -5.469 1 1 185 . 12 1 1 A 19 19 GLN H H 19 8.346 8.749 -0.403 1 1 186 . 12 1 1 A 19 19 GLN HA H 19 4.319 5.005 -0.686 1 1 193 . 12 1 1 A 19 19 GLN CA C 19 56.075 53.670 2.405 1 1 194 . 12 1 1 A 19 19 GLN CB C 19 29.077 32.327 -3.250 1 1 196 . 12 1 1 A 19 19 GLN N N 19 120.620 122.684 -2.064 1 1 198 . 12 1 1 A 20 20 GLU H H 20 8.474 8.558 -0.084 1 1 199 . 12 1 1 A 20 20 GLU HA H 20 4.269 4.613 -0.344 1 1 204 . 12 1 1 A 20 20 GLU CA C 20 56.932 56.789 0.143 1 1 205 . 12 1 1 A 20 20 GLU CB C 20 29.694 30.633 -0.939 1 1 207 . 12 1 1 A 20 20 GLU N N 20 121.410 122.269 -0.859 1 1 208 . 12 1 1 A 21 21 MET H H 21 8.366 8.542 -0.176 1 1 209 . 12 1 1 A 21 21 MET HA H 21 4.538 5.098 -0.560 1 1 214 . 12 1 1 A 21 21 MET CA C 21 55.812 53.908 1.904 1 1 215 . 12 1 1 A 21 21 MET CB C 21 32.188 35.630 -3.442 1 1 217 . 12 1 1 A 21 21 MET N N 21 120.618 125.903 -5.285 1 1 218 . 12 1 1 A 22 22 THR H H 22 8.127 8.561 -0.434 1 1 219 . 12 1 1 A 22 22 THR HA H 22 4.299 4.293 0.006 1 1 224 . 12 1 1 A 22 22 THR CA C 22 62.287 62.441 -0.154 1 1 225 . 12 1 1 A 22 22 THR CB C 22 69.174 69.738 -0.564 1 1 227 . 12 1 1 A 22 22 THR N N 22 114.858 116.564 -1.706 1 1 228 . 12 1 1 A 23 23 GLN H H 23 8.342 8.422 -0.080 1 1 229 . 12 1 1 A 23 23 GLN HA H 23 4.339 4.228 0.111 1 1 236 . 12 1 1 A 23 23 GLN CA C 23 56.148 56.271 -0.123 1 1 237 . 12 1 1 A 23 23 GLN CB C 23 29.112 28.779 0.333 1 1 239 . 12 1 1 A 23 23 GLN N N 23 122.047 123.173 -1.126 1 1 241 . 12 1 1 A 24 24 LEU H H 24 8.174 8.088 0.086 1 1 242 . 12 1 1 A 24 24 LEU HA H 24 4.334 4.334 0.000 1 1 252 . 12 1 1 A 24 24 LEU CA C 24 55.519 55.284 0.235 1 1 253 . 12 1 1 A 24 24 LEU CB C 24 42.146 43.450 -1.304 1 1 257 . 12 1 1 A 24 24 LEU N N 24 122.328 128.257 -5.929 1 1 258 . 12 1 1 A 25 25 ASN H H 25 8.384 8.608 -0.224 1 1 259 . 12 1 1 A 25 25 ASN HA H 25 4.692 4.623 0.069 1 1 264 . 12 1 1 A 25 25 ASN CA C 25 53.481 54.031 -0.550 1 1 265 . 12 1 1 A 25 25 ASN CB C 25 38.445 38.553 -0.108 1 1 266 . 12 1 1 A 25 25 ASN N N 25 119.262 124.179 -4.917 1 1 268 . 12 1 1 A 26 26 GLN H H 26 8.453 8.609 -0.156 1 1 269 . 12 1 1 A 26 26 GLN HA H 26 4.215 3.977 0.238 1 1 276 . 12 1 1 A 26 26 GLN CA C 26 57.037 59.170 -2.133 1 1 277 . 12 1 1 A 26 26 GLN CB C 26 28.996 28.365 0.631 1 1 279 . 12 1 1 A 26 26 GLN N N 26 120.394 122.441 -2.047 1 1 281 . 12 1 1 A 27 27 GLU H H 27 8.501 8.372 0.129 1 1 282 . 12 1 1 A 27 27 GLU HA H 27 4.202 4.074 0.128 1 1 287 . 12 1 1 A 27 27 GLU CA C 27 58.573 59.278 -0.705 1 1 288 . 12 1 1 A 27 27 GLU CB C 27 29.349 29.595 -0.246 1 1 290 . 12 1 1 A 27 27 GLU N N 27 121.130 119.457 1.673 1 1 291 . 12 1 1 A 28 28 THR H H 28 8.032 8.131 -0.099 1 1 292 . 12 1 1 A 28 28 THR HA H 28 4.079 3.973 0.106 1 1 297 . 12 1 1 A 28 28 THR CA C 28 64.762 66.354 -1.592 1 1 298 . 12 1 1 A 28 28 THR CB C 28 68.354 68.240 0.114 1 1 300 . 12 1 1 A 28 28 THR N N 28 114.032 116.747 -2.715 1 1 301 . 12 1 1 A 29 29 VAL H H 29 7.969 8.236 -0.267 1 1 302 . 12 1 1 A 29 29 VAL HA H 29 3.812 3.592 0.220 1 1 310 . 12 1 1 A 29 29 VAL CA C 29 65.572 67.357 -1.785 1 1 311 . 12 1 1 A 29 29 VAL CB C 29 31.624 31.390 0.234 1 1 314 . 12 1 1 A 29 29 VAL N N 29 122.215 121.696 0.519 1 1 315 . 12 1 1 A 30 30 LYS H H 30 7.910 7.892 0.018 1 1 316 . 12 1 1 A 30 30 LYS HA H 30 4.175 3.889 0.286 1 1 325 . 12 1 1 A 30 30 LYS CA C 30 57.780 60.045 -2.265 1 1 326 . 12 1 1 A 30 30 LYS CB C 30 31.537 32.256 -0.719 1 1 330 . 12 1 1 A 30 30 LYS N N 30 119.387 118.701 0.686 1 1 331 . 12 1 1 A 31 31 ILE H H 31 8.277 8.046 0.231 1 1 332 . 12 1 1 A 31 31 ILE HA H 31 3.602 3.561 0.041 1 1 342 . 12 1 1 A 31 31 ILE CA C 31 65.712 65.737 -0.025 1 1 343 . 12 1 1 A 31 31 ILE CB C 31 38.559 37.913 0.646 1 1 347 . 12 1 1 A 31 31 ILE N N 31 121.053 120.649 0.404 1 1 348 . 12 1 1 A 32 32 THR H H 32 7.896 8.375 -0.479 1 1 349 . 12 1 1 A 32 32 THR HA H 32 4.004 3.850 0.154 1 1 354 . 12 1 1 A 32 32 THR CA C 32 65.922 67.064 -1.142 1 1 355 . 12 1 1 A 32 32 THR CB C 32 68.400 68.307 0.093 1 1 357 . 12 1 1 A 32 32 THR N N 32 115.554 116.863 -1.309 1 1 358 . 12 1 1 A 33 33 GLN H H 33 8.279 8.354 -0.075 1 1 359 . 12 1 1 A 33 33 GLN HA H 33 3.887 3.846 0.041 1 1 366 . 12 1 1 A 33 33 GLN CA C 33 59.052 59.100 -0.048 1 1 367 . 12 1 1 A 33 33 GLN CB C 33 27.889 28.257 -0.368 1 1 369 . 12 1 1 A 33 33 GLN N N 33 120.920 121.188 -0.268 1 1 371 . 12 1 1 A 34 34 GLN H H 34 8.671 8.192 0.479 1 1 372 . 12 1 1 A 34 34 GLN HA H 34 3.615 4.013 -0.398 1 1 379 . 12 1 1 A 34 34 GLN CA C 34 60.424 58.995 1.429 1 1 380 . 12 1 1 A 34 34 GLN CB C 34 30.058 28.462 1.596 1 1 382 . 12 1 1 A 34 34 GLN N N 34 120.388 118.991 1.397 1 1 384 . 12 1 1 A 35 35 ASN H H 35 8.636 7.997 0.639 1 1 385 . 12 1 1 A 35 35 ASN HA H 35 4.595 4.498 0.097 1 1 390 . 12 1 1 A 35 35 ASN CA C 35 55.363 56.176 -0.813 1 1 391 . 12 1 1 A 35 35 ASN CB C 35 36.904 37.516 -0.612 1 1 392 . 12 1 1 A 35 35 ASN N N 35 116.477 118.471 -1.994 1 1 394 . 12 1 1 A 36 36 ARG H H 36 8.321 7.654 0.667 1 1 395 . 12 1 1 A 36 36 ARG HA H 36 4.142 4.097 0.045 1 1 402 . 12 1 1 A 36 36 ARG CA C 36 58.582 59.000 -0.418 1 1 403 . 12 1 1 A 36 36 ARG CB C 36 29.712 30.131 -0.419 1 1 406 . 12 1 1 A 36 36 ARG N N 36 121.347 120.257 1.090 1 1 407 . 12 1 1 A 37 37 LEU H H 37 8.251 8.464 -0.213 1 1 408 . 12 1 1 A 37 37 LEU HA H 37 3.788 3.888 -0.100 1 1 418 . 12 1 1 A 37 37 LEU CA C 37 57.094 57.736 -0.642 1 1 419 . 12 1 1 A 37 37 LEU CB C 37 40.554 40.413 0.141 1 1 423 . 12 1 1 A 37 37 LEU N N 37 120.862 119.613 1.249 1 1 424 . 12 1 1 A 38 38 ASN H H 38 8.047 8.565 -0.518 1 1 425 . 12 1 1 A 38 38 ASN HA H 38 5.134 4.592 0.542 1 1 430 . 12 1 1 A 38 38 ASN CA C 38 54.413 56.622 -2.209 1 1 431 . 12 1 1 A 38 38 ASN CB C 38 38.069 39.560 -1.491 1 1 432 . 12 1 1 A 38 38 ASN N N 38 115.574 118.696 -3.122 1 1 434 . 12 1 1 A 39 39 ALA H H 39 7.878 7.768 0.110 1 1 435 . 12 1 1 A 39 39 ALA HA H 39 4.342 4.159 0.183 1 1 439 . 12 1 1 A 39 39 ALA CA C 39 53.981 54.960 -0.979 1 1 440 . 12 1 1 A 39 39 ALA CB C 39 18.340 18.336 0.004 1 1 441 . 12 1 1 A 39 39 ALA N N 39 123.076 121.718 1.358 1 1 442 . 12 1 1 A 40 40 LYS H H 40 7.431 7.638 -0.207 1 1 443 . 12 1 1 A 40 40 LYS HA H 40 4.528 4.284 0.244 1 1 452 . 12 1 1 A 40 40 LYS CA C 40 55.285 58.868 -3.583 1 1 453 . 12 1 1 A 40 40 LYS CB C 40 32.852 32.534 0.318 1 1 457 . 12 1 1 A 40 40 LYS N N 40 114.889 117.268 -2.379 1 1 458 . 12 1 1 A 41 41 SER H H 41 7.671 7.802 -0.131 1 1 459 . 12 1 1 A 41 41 SER HA H 41 4.615 4.571 0.044 1 1 462 . 12 1 1 A 41 41 SER CA C 41 58.189 58.686 -0.497 1 1 463 . 12 1 1 A 41 41 SER CB C 41 63.924 64.043 -0.119 1 1 464 . 12 1 1 A 41 41 SER N N 41 114.795 115.018 -0.223 1 1 465 . 12 1 1 A 42 42 SER H H 42 8.927 8.984 -0.057 1 1 466 . 12 1 1 A 42 42 SER HA H 42 4.792 4.373 0.419 1 1 469 . 12 1 1 A 42 42 SER CA C 42 58.133 59.615 -1.482 1 1 470 . 12 1 1 A 42 42 SER CB C 42 63.712 63.320 0.392 1 1 471 . 12 1 1 A 42 42 SER N N 42 120.934 122.885 -1.951 1 1 472 . 12 1 1 A 43 43 SER H H 43 8.320 8.134 0.186 1 1 473 . 12 1 1 A 43 43 SER HA H 43 4.654 4.769 -0.115 1 1 476 . 12 1 1 A 43 43 SER CA C 43 57.309 56.472 0.837 1 1 477 . 12 1 1 A 43 43 SER CB C 43 63.151 64.372 -1.221 1 1 478 . 12 1 1 A 43 43 SER N N 43 115.966 116.015 -0.049 1 1 479 . 12 1 1 A 44 44 GLY H H 44 8.182 8.902 -0.720 1 1 480 . 12 1 1 A 44 44 GLY HA2 H 44 4.206 3.959 0.247 1 1 481 . 12 1 1 A 44 44 GLY HA3 H 44 4.399 3.970 0.429 1 1 482 . 12 1 1 A 44 44 GLY CA C 44 44.540 45.376 -0.836 1 1 483 . 12 1 1 A 44 44 GLY N N 44 110.764 117.150 -6.386 1 1 484 . 12 1 1 A 45 45 VAL H H 45 8.341 8.184 0.157 1 1 485 . 12 1 1 A 45 45 VAL HA H 45 4.845 5.094 -0.249 1 1 493 . 12 1 1 A 45 45 VAL CA C 45 58.981 59.589 -0.608 1 1 494 . 12 1 1 A 45 45 VAL CB C 45 35.239 35.915 -0.676 1 1 497 . 12 1 1 A 45 45 VAL N N 45 114.116 117.263 -3.147 1 1 498 . 12 1 1 A 46 46 TYR H H 46 10.501 9.212 1.289 1 1 499 . 12 1 1 A 46 46 TYR HA H 46 5.004 5.035 -0.031 1 1 506 . 12 1 1 A 46 46 TYR CA C 46 58.121 57.294 0.827 1 1 507 . 12 1 1 A 46 46 TYR CB C 46 41.382 37.915 3.467 1 1 510 . 12 1 1 A 46 46 TYR N N 46 123.384 123.874 -0.490 1 1 511 . 12 1 1 A 47 47 LEU H H 47 9.364 9.193 0.171 1 1 512 . 12 1 1 A 47 47 LEU HA H 47 4.695 4.825 -0.130 1 1 522 . 12 1 1 A 47 47 LEU CA C 47 52.769 54.080 -1.311 1 1 523 . 12 1 1 A 47 47 LEU CB C 47 44.689 41.592 3.097 1 1 527 . 12 1 1 A 47 47 LEU N N 47 118.822 126.556 -7.734 1 1 528 . 12 1 1 A 48 48 LEU H H 48 9.128 9.186 -0.058 1 1 529 . 12 1 1 A 48 48 LEU HA H 48 5.232 4.804 0.428 1 1 539 . 12 1 1 A 48 48 LEU CA C 48 51.100 51.798 -0.698 1 1 540 . 12 1 1 A 48 48 LEU CB C 48 40.141 41.559 -1.418 1 1 544 . 12 1 1 A 48 48 LEU N N 48 123.384 126.515 -3.131 1 1 545 . 12 1 1 A 49 49 PRO HA H 49 4.090 4.400 -0.310 1 1 552 . 12 1 1 A 49 49 PRO CA C 49 64.912 63.968 0.944 1 1 553 . 12 1 1 A 49 49 PRO CB C 49 31.607 31.910 -0.303 1 1 556 . 12 1 1 A 50 50 GLY H H 50 9.181 8.589 0.592 1 1 557 . 12 1 1 A 50 50 GLY HA2 H 50 3.933 3.964 -0.031 1 1 558 . 12 1 1 A 50 50 GLY HA3 H 50 4.757 3.966 0.791 1 1 559 . 12 1 1 A 50 50 GLY CA C 50 45.499 44.786 0.713 1 1 560 . 12 1 1 A 50 50 GLY N N 50 106.827 106.570 0.257 1 1 561 . 12 1 1 A 51 51 ALA H H 51 7.857 7.953 -0.096 1 1 562 . 12 1 1 A 51 51 ALA HA H 51 4.264 4.449 -0.185 1 1 566 . 12 1 1 A 51 51 ALA CA C 51 53.156 50.878 2.278 1 1 567 . 12 1 1 A 51 51 ALA CB C 51 18.492 20.426 -1.934 1 1 568 . 12 1 1 A 51 51 ALA N N 51 120.192 123.884 -3.692 1 1 569 . 12 1 1 A 52 52 LYS H H 52 7.787 8.691 -0.904 1 1 570 . 12 1 1 A 52 52 LYS HA H 52 4.094 4.427 -0.333 1 1 579 . 12 1 1 A 52 52 LYS CA C 52 56.979 55.477 1.502 1 1 580 . 12 1 1 A 52 52 LYS CB C 52 30.731 30.636 0.095 1 1 584 . 12 1 1 A 52 52 LYS N N 52 115.260 125.051 -9.791 1 1 585 . 12 1 1 A 53 53 THR H H 53 8.043 8.019 0.024 1 1 586 . 12 1 1 A 53 53 THR HA H 53 4.924 4.983 -0.059 1 1 591 . 12 1 1 A 53 53 THR CA C 53 59.565 58.730 0.835 1 1 592 . 12 1 1 A 53 53 THR CB C 53 72.729 70.800 1.929 1 1 594 . 12 1 1 A 53 53 THR N N 53 114.085 112.035 2.050 1 1 595 . 12 1 1 A 54 54 PRO HA H 54 4.860 4.695 0.165 1 1 602 . 12 1 1 A 54 54 PRO CA C 54 62.176 62.323 -0.147 1 1 603 . 12 1 1 A 54 54 PRO CB C 54 32.820 33.232 -0.412 1 1 606 . 12 1 1 A 55 55 ALA H H 55 8.834 8.342 0.492 1 1 607 . 12 1 1 A 55 55 ALA HA H 55 4.824 4.781 0.043 1 1 611 . 12 1 1 A 55 55 ALA CA C 55 50.500 51.358 -0.858 1 1 612 . 12 1 1 A 55 55 ALA CB C 55 22.858 23.062 -0.204 1 1 613 . 12 1 1 A 55 55 ALA N N 55 122.227 120.637 1.590 1 1 614 . 12 1 1 A 56 56 ARG H H 56 8.445 8.640 -0.195 1 1 615 . 12 1 1 A 56 56 ARG HA H 56 5.262 4.831 0.431 1 1 623 . 12 1 1 A 56 56 ARG CA C 56 54.401 55.584 -1.183 1 1 624 . 12 1 1 A 56 56 ARG CB C 56 32.849 31.460 1.389 1 1 627 . 12 1 1 A 56 56 ARG N N 56 121.194 122.931 -1.737 1 1 629 . 12 1 1 A 57 57 LEU H H 57 9.159 9.089 0.070 1 1 630 . 12 1 1 A 57 57 LEU HA H 57 4.672 5.032 -0.360 1 1 640 . 12 1 1 A 57 57 LEU CA C 57 53.028 53.870 -0.842 1 1 641 . 12 1 1 A 57 57 LEU CB C 57 46.231 46.153 0.078 1 1 645 . 12 1 1 A 57 57 LEU N N 57 125.694 126.873 -1.179 1 1 646 . 12 1 1 A 58 58 GLU H H 58 8.890 8.995 -0.105 1 1 647 . 12 1 1 A 58 58 GLU HA H 58 4.535 4.899 -0.364 1 1 652 . 12 1 1 A 58 58 GLU CA C 58 55.733 55.171 0.562 1 1 653 . 12 1 1 A 58 58 GLU CB C 58 27.970 31.596 -3.626 1 1 655 . 12 1 1 A 58 58 GLU N N 58 127.677 128.689 -1.012 1 1 656 . 12 1 1 A 59 59 SER H H 59 7.772 9.051 -1.279 1 1 657 . 12 1 1 A 59 59 SER HA H 59 4.970 4.849 0.121 1 1 661 . 12 1 1 A 59 59 SER CA C 59 57.576 56.329 1.247 1 1 662 . 12 1 1 A 59 59 SER CB C 59 69.174 66.076 3.098 1 1 663 . 12 1 1 A 59 59 SER N N 59 121.860 118.848 3.012 1 1 664 . 12 1 1 A 60 60 GLN H H 60 9.336 8.576 0.760 1 1 665 . 12 1 1 A 60 60 GLN HA H 60 4.262 3.438 0.824 1 1 672 . 12 1 1 A 60 60 GLN CA C 60 57.792 57.093 0.699 1 1 673 . 12 1 1 A 60 60 GLN CB C 60 29.669 28.216 1.453 1 1 675 . 12 1 1 A 60 60 GLN N N 60 119.522 118.073 1.449 1 1 677 . 12 1 1 A 61 61 ILE H H 61 8.007 7.406 0.601 1 1 678 . 12 1 1 A 61 61 ILE HA H 61 4.623 4.378 0.245 1 1 688 . 12 1 1 A 61 61 ILE CA C 61 59.813 60.983 -1.170 1 1 689 . 12 1 1 A 61 61 ILE CB C 61 37.013 39.246 -2.233 1 1 693 . 12 1 1 A 61 61 ILE N N 61 109.398 112.266 -2.868 1 1 694 . 12 1 1 A 62 62 GLY H H 62 7.223 7.278 -0.055 1 1 695 . 12 1 1 A 62 62 GLY HA2 H 62 4.493 4.100 0.393 1 1 696 . 12 1 1 A 62 62 GLY HA3 H 62 3.872 4.224 -0.352 1 1 697 . 12 1 1 A 62 62 GLY CA C 62 43.022 45.617 -2.595 1 1 698 . 12 1 1 A 62 62 GLY N N 62 109.035 109.373 -0.338 1 1 699 . 12 1 1 A 63 63 THR H H 63 8.910 8.670 0.240 1 1 700 . 12 1 1 A 63 63 THR HA H 63 4.599 4.763 -0.164 1 1 705 . 12 1 1 A 63 63 THR CA C 63 64.037 63.020 1.017 1 1 706 . 12 1 1 A 63 63 THR CB C 63 68.111 69.956 -1.845 1 1 708 . 12 1 1 A 63 63 THR N N 63 119.711 116.215 3.496 1 1 709 . 12 1 1 A 64 64 LEU H H 64 9.070 9.026 0.044 1 1 710 . 12 1 1 A 64 64 LEU HA H 64 5.120 5.082 0.038 1 1 720 . 12 1 1 A 64 64 LEU CA C 64 52.680 53.217 -0.537 1 1 721 . 12 1 1 A 64 64 LEU CB C 64 44.749 46.261 -1.512 1 1 725 . 12 1 1 A 64 64 LEU N N 64 127.640 121.804 5.836 1 1 726 . 12 1 1 A 65 65 ARG H H 65 9.271 8.717 0.554 1 1 727 . 12 1 1 A 65 65 ARG HA H 65 4.989 5.187 -0.198 1 1 735 . 12 1 1 A 65 65 ARG CA C 65 54.814 54.399 0.415 1 1 736 . 12 1 1 A 65 65 ARG CB C 65 31.836 33.570 -1.734 1 1 739 . 12 1 1 A 65 65 ARG N N 65 122.680 119.532 3.148 1 1 741 . 12 1 1 A 66 66 MET H H 66 9.310 9.269 0.041 1 1 742 . 12 1 1 A 66 66 MET HA H 66 5.822 5.563 0.259 1 1 747 . 12 1 1 A 66 66 MET CA C 66 53.936 53.921 0.015 1 1 748 . 12 1 1 A 66 66 MET CB C 66 35.912 35.092 0.820 1 1 750 . 12 1 1 A 66 66 MET N N 66 125.309 126.670 -1.361 1 1 751 . 12 1 1 A 67 67 SER H H 67 8.943 8.599 0.344 1 1 752 . 12 1 1 A 67 67 SER HA H 67 4.660 5.136 -0.476 1 1 755 . 12 1 1 A 67 67 SER CA C 67 57.460 56.894 0.566 1 1 756 . 12 1 1 A 67 67 SER CB C 67 65.747 66.245 -0.498 1 1 757 . 12 1 1 A 67 67 SER N N 67 112.115 114.321 -2.206 1 1 758 . 12 1 1 A 68 68 LEU H H 68 8.410 8.904 -0.494 1 1 759 . 12 1 1 A 68 68 LEU HA H 68 5.115 4.844 0.271 1 1 769 . 12 1 1 A 68 68 LEU CA C 68 52.837 53.995 -1.158 1 1 770 . 12 1 1 A 68 68 LEU CB C 68 42.269 41.710 0.559 1 1 774 . 12 1 1 A 68 68 LEU N N 68 118.367 124.891 -6.524 1 1 775 . 12 1 1 A 69 69 VAL H H 69 9.060 8.573 0.487 1 1 776 . 12 1 1 A 69 69 VAL HA H 69 4.440 4.593 -0.153 1 1 784 . 12 1 1 A 69 69 VAL CA C 69 59.852 59.838 0.014 1 1 785 . 12 1 1 A 69 69 VAL CB C 69 35.349 34.898 0.451 1 1 788 . 12 1 1 A 69 69 VAL N N 69 119.888 117.917 1.971 1 1 789 . 12 1 1 A 70 70 ASN H H 70 8.651 8.664 -0.013 1 1 790 . 12 1 1 A 70 70 ASN HA H 70 4.345 4.179 0.166 1 1 795 . 12 1 1 A 70 70 ASN CA C 70 53.555 54.085 -0.530 1 1 796 . 12 1 1 A 70 70 ASN CB C 70 36.932 36.912 0.020 1 1 797 . 12 1 1 A 70 70 ASN N N 70 119.166 118.222 0.944 1 1 799 . 12 1 1 A 71 71 ILE H H 71 8.449 7.726 0.723 1 1 800 . 12 1 1 A 71 71 ILE HA H 71 4.235 4.522 -0.287 1 1 810 . 12 1 1 A 71 71 ILE CA C 71 63.104 60.334 2.770 1 1 811 . 12 1 1 A 71 71 ILE CB C 71 37.200 38.268 -1.068 1 1 815 . 12 1 1 A 71 71 ILE N N 71 121.388 119.491 1.897 1 1 816 . 12 1 1 A 72 72 THR H H 72 9.511 8.759 0.752 1 1 817 . 12 1 1 A 72 72 THR HA H 72 4.967 5.095 -0.128 1 1 822 . 12 1 1 A 72 72 THR CA C 72 59.584 58.256 1.328 1 1 823 . 12 1 1 A 72 72 THR CB C 72 71.930 70.362 1.568 1 1 825 . 12 1 1 A 72 72 THR N N 72 125.726 117.717 8.009 1 1 826 . 12 1 1 A 73 73 PRO HA H 73 4.822 4.528 0.294 1 1 833 . 12 1 1 A 73 73 PRO CA C 73 63.362 62.791 0.571 1 1 834 . 12 1 1 A 73 73 PRO CB C 73 32.451 32.807 -0.356 1 1 837 . 12 1 1 A 74 74 ASP H H 74 8.404 9.046 -0.642 1 1 838 . 12 1 1 A 74 74 ASP HA H 74 4.824 5.069 -0.245 1 1 841 . 12 1 1 A 74 74 ASP CA C 74 52.609 52.626 -0.017 1 1 842 . 12 1 1 A 74 74 ASP CB C 74 43.743 44.255 -0.512 1 1 843 . 12 1 1 A 74 74 ASP N N 74 122.325 121.184 1.141 1 1 844 . 12 1 1 A 75 75 ALA H H 75 8.539 8.734 -0.195 1 1 845 . 12 1 1 A 75 75 ALA HA H 75 4.062 4.050 0.012 1 1 849 . 12 1 1 A 75 75 ALA CA C 75 54.431 55.313 -0.882 1 1 850 . 12 1 1 A 75 75 ALA CB C 75 18.117 18.162 -0.045 1 1 851 . 12 1 1 A 75 75 ALA N N 75 123.501 126.195 -2.694 1 1 852 . 12 1 1 A 76 76 ASP H H 76 8.356 7.992 0.364 1 1 853 . 12 1 1 A 76 76 ASP HA H 76 4.815 4.571 0.244 1 1 856 . 12 1 1 A 76 76 ASP CA C 76 53.161 55.319 -2.158 1 1 857 . 12 1 1 A 76 76 ASP CB C 76 41.234 41.676 -0.442 1 1 858 . 12 1 1 A 76 76 ASP N N 76 115.326 116.397 -1.071 1 1 859 . 12 1 1 A 77 77 GLY H H 77 7.569 7.507 0.062 1 1 860 . 12 1 1 A 77 77 GLY HA2 H 77 3.925 4.099 -0.174 1 1 861 . 12 1 1 A 77 77 GLY HA3 H 77 4.508 4.105 0.403 1 1 862 . 12 1 1 A 77 77 GLY CA C 77 46.675 46.168 0.507 1 1 863 . 12 1 1 A 77 77 GLY N N 77 109.452 103.851 5.601 1 1 864 . 12 1 1 A 78 78 THR H H 78 8.272 8.686 -0.414 1 1 865 . 12 1 1 A 78 78 THR HA H 78 4.655 5.036 -0.381 1 1 870 . 12 1 1 A 78 78 THR CA C 78 63.204 61.127 2.077 1 1 871 . 12 1 1 A 78 78 THR CB C 78 72.222 72.379 -0.157 1 1 873 . 12 1 1 A 78 78 THR N N 78 122.442 115.648 6.794 1 1 874 . 12 1 1 A 79 79 THR H H 79 9.027 9.175 -0.148 1 1 875 . 12 1 1 A 79 79 THR HA H 79 5.164 5.604 -0.440 1 1 880 . 12 1 1 A 79 79 THR CA C 79 60.303 60.195 0.108 1 1 881 . 12 1 1 A 79 79 THR CB C 79 70.442 70.599 -0.157 1 1 883 . 12 1 1 A 79 79 THR N N 79 121.451 117.500 3.951 1 1 884 . 12 1 1 A 80 80 LEU H H 80 8.698 8.852 -0.154 1 1 885 . 12 1 1 A 80 80 LEU HA H 80 4.835 5.555 -0.720 1 1 895 . 12 1 1 A 80 80 LEU CA C 80 54.194 53.415 0.779 1 1 896 . 12 1 1 A 80 80 LEU CB C 80 44.576 45.979 -1.403 1 1 900 . 12 1 1 A 80 80 LEU N N 80 119.374 122.870 -3.496 1 1 901 . 12 1 1 A 81 81 THR H H 81 8.675 8.841 -0.166 1 1 902 . 12 1 1 A 81 81 THR HA H 81 4.740 4.883 -0.143 1 1 907 . 12 1 1 A 81 81 THR CA C 81 61.838 62.198 -0.360 1 1 908 . 12 1 1 A 81 81 THR CB C 81 70.190 69.664 0.526 1 1 910 . 12 1 1 A 81 81 THR N N 81 116.982 116.672 0.310 1 1 911 . 12 1 1 A 82 82 LEU H H 82 8.898 9.041 -0.143 1 1 912 . 12 1 1 A 82 82 LEU HA H 82 4.748 5.088 -0.340 1 1 922 . 12 1 1 A 82 82 LEU CA C 82 53.076 54.025 -0.949 1 1 923 . 12 1 1 A 82 82 LEU CB C 82 43.189 43.600 -0.411 1 1 927 . 12 1 1 A 82 82 LEU N N 82 130.905 130.031 0.874 1 1 928 . 12 1 1 A 83 83 ARG H H 83 9.162 8.896 0.266 1 1 929 . 12 1 1 A 83 83 ARG HA H 83 5.174 4.879 0.295 1 1 936 . 12 1 1 A 83 83 ARG CA C 83 54.441 55.332 -0.891 1 1 937 . 12 1 1 A 83 83 ARG CB C 83 31.332 31.392 -0.060 1 1 940 . 12 1 1 A 83 83 ARG N N 83 131.064 126.489 4.575 1 1 941 . 12 1 1 A 84 84 ILE H H 84 9.474 9.389 0.085 1 1 942 . 12 1 1 A 84 84 ILE HA H 84 4.611 4.963 -0.352 1 1 952 . 12 1 1 A 84 84 ILE CA C 84 60.486 60.368 0.118 1 1 953 . 12 1 1 A 84 84 ILE CB C 84 40.120 38.648 1.472 1 1 957 . 12 1 1 A 84 84 ILE N N 84 128.394 125.436 2.958 1 1 958 . 12 1 1 A 85 85 GLN H H 85 9.137 9.206 -0.069 1 1 959 . 12 1 1 A 85 85 GLN HA H 85 5.457 4.921 0.536 1 1 966 . 12 1 1 A 85 85 GLN CA C 85 53.109 54.482 -1.373 1 1 967 . 12 1 1 A 85 85 GLN CB C 85 32.450 30.743 1.707 1 1 969 . 12 1 1 A 85 85 GLN N N 85 124.857 127.475 -2.618 1 1 971 . 12 1 1 A 86 86 GLY H H 86 9.090 9.038 0.052 1 1 972 . 12 1 1 A 86 86 GLY HA2 H 86 3.813 4.039 -0.226 1 1 973 . 12 1 1 A 86 86 GLY HA3 H 86 4.499 4.057 0.442 1 1 974 . 12 1 1 A 86 86 GLY CA C 86 44.877 45.322 -0.445 1 1 975 . 12 1 1 A 86 86 GLY N N 86 110.702 112.009 -1.307 1 1 976 . 12 1 1 A 87 87 GLU H H 87 8.128 9.075 -0.947 1 1 977 . 12 1 1 A 87 87 GLU HA H 87 4.472 4.143 0.329 1 1 982 . 12 1 1 A 87 87 GLU CA C 87 56.057 59.222 -3.165 1 1 983 . 12 1 1 A 87 87 GLU CB C 87 29.943 29.702 0.241 1 1 985 . 12 1 1 A 87 87 GLU N N 87 120.445 122.029 -1.584 1 1 986 . 12 1 1 A 88 88 SER H H 88 8.063 7.788 0.275 1 1 987 . 12 1 1 A 88 88 SER HA H 88 4.469 4.358 0.111 1 1 990 . 12 1 1 A 88 88 SER CA C 88 57.472 60.518 -3.046 1 1 991 . 12 1 1 A 88 88 SER CB C 88 63.799 63.486 0.313 1 1 992 . 12 1 1 A 88 88 SER N N 88 113.821 115.061 -1.240 1 1 993 . 12 1 1 A 89 89 ASN H H 89 8.502 8.851 -0.349 1 1 994 . 12 1 1 A 89 89 ASN HA H 89 4.533 4.686 -0.153 1 1 999 . 12 1 1 A 89 89 ASN CA C 89 53.715 55.152 -1.437 1 1 1000 . 12 1 1 A 89 89 ASN CB C 89 38.212 38.592 -0.380 1 1 1001 . 12 1 1 A 89 89 ASN N N 89 119.482 124.522 -5.040 1 1 1003 . 12 1 1 A 90 90 ASP H H 90 8.104 7.675 0.429 1 1 1004 . 12 1 1 A 90 90 ASP HA H 90 5.061 4.786 0.275 1 1 1007 . 12 1 1 A 90 90 ASP CA C 90 51.392 52.441 -1.049 1 1 1008 . 12 1 1 A 90 90 ASP CB C 90 41.223 41.301 -0.078 1 1 1009 . 12 1 1 A 90 90 ASP N N 90 119.891 119.115 0.776 1 1 1010 . 12 1 1 A 91 91 PRO HA H 91 4.156 4.936 -0.780 1 1 1017 . 12 1 1 A 91 91 PRO CA C 91 62.200 63.069 -0.869 1 1 1018 . 12 1 1 A 91 91 PRO CB C 91 30.844 31.976 -1.132 1 1 1021 . 12 1 1 A 92 92 LEU H H 92 8.206 8.762 -0.556 1 1 1022 . 12 1 1 A 92 92 LEU HA H 92 4.504 4.851 -0.347 1 1 1032 . 12 1 1 A 92 92 LEU CA C 92 52.697 52.499 0.198 1 1 1033 . 12 1 1 A 92 92 LEU CB C 92 41.249 42.470 -1.221 1 1 1037 . 12 1 1 A 92 92 LEU N N 92 123.954 123.240 0.714 1 1 1038 . 12 1 1 A 93 93 PRO HA H 93 4.808 4.648 0.160 1 1 1045 . 12 1 1 A 93 93 PRO CA C 93 61.122 62.323 -1.201 1 1 1046 . 12 1 1 A 93 93 PRO CB C 93 32.289 32.625 -0.336 1 1 1049 . 12 1 1 A 94 94 ALA H H 94 8.420 8.381 0.039 1 1 1050 . 12 1 1 A 94 94 ALA HA H 94 4.164 4.296 -0.132 1 1 1054 . 12 1 1 A 94 94 ALA CA C 94 52.655 53.154 -0.499 1 1 1055 . 12 1 1 A 94 94 ALA CB C 94 18.563 19.074 -0.511 1 1 1056 . 12 1 1 A 94 94 ALA N N 94 120.368 123.453 -3.085 1 1 1057 . 12 1 1 A 95 95 PHE H H 95 7.961 7.937 0.024 1 1 1058 . 12 1 1 A 95 95 PHE HA H 95 5.489 5.761 -0.272 1 1 1066 . 12 1 1 A 95 95 PHE CA C 95 56.213 55.316 0.897 1 1 1067 . 12 1 1 A 95 95 PHE CB C 95 41.552 42.187 -0.635 1 1 1071 . 12 1 1 A 95 95 PHE N N 95 115.209 117.317 -2.108 1 1 1072 . 12 1 1 A 96 96 SER H H 96 9.231 9.395 -0.164 1 1 1073 . 12 1 1 A 96 96 SER HA H 96 5.427 4.961 0.466 1 1 1076 . 12 1 1 A 96 96 SER CA C 96 55.549 56.921 -1.372 1 1 1077 . 12 1 1 A 96 96 SER CB C 96 66.681 66.313 0.368 1 1 1078 . 12 1 1 A 96 96 SER N N 96 114.106 113.803 0.303 1 1 1079 . 12 1 1 A 97 97 GLY H H 97 8.269 8.160 0.109 1 1 1080 . 12 1 1 A 97 97 GLY HA2 H 97 4.612 4.137 0.475 1 1 1081 . 12 1 1 A 97 97 GLY HA3 H 97 3.571 4.148 -0.577 1 1 1082 . 12 1 1 A 97 97 GLY CA C 97 45.139 46.048 -0.909 1 1 1083 . 12 1 1 A 97 97 GLY N N 97 104.730 107.236 -2.506 1 1 1084 . 12 1 1 A 98 98 THR H H 98 8.068 8.187 -0.119 1 1 1085 . 12 1 1 A 98 98 THR HA H 98 4.836 5.079 -0.243 1 1 1090 . 12 1 1 A 98 98 THR CA C 98 62.462 61.729 0.733 1 1 1091 . 12 1 1 A 98 98 THR CB C 98 70.240 70.484 -0.244 1 1 1093 . 12 1 1 A 98 98 THR N N 98 115.596 116.275 -0.679 1 1 1094 . 12 1 1 A 99 99 VAL H H 99 9.016 9.484 -0.468 1 1 1095 . 12 1 1 A 99 99 VAL HA H 99 5.040 4.990 0.050 1 1 1103 . 12 1 1 A 99 99 VAL CA C 99 59.695 59.580 0.115 1 1 1104 . 12 1 1 A 99 99 VAL CB C 99 33.810 34.900 -1.090 1 1 1107 . 12 1 1 A 99 99 VAL N N 99 124.571 121.087 3.484 1 1 1108 . 12 1 1 A 100 100 GLU H H 100 9.595 9.219 0.376 1 1 1109 . 12 1 1 A 100 100 GLU HA H 100 5.463 5.179 0.284 1 1 1114 . 12 1 1 A 100 100 GLU CA C 100 53.132 55.518 -2.386 1 1 1115 . 12 1 1 A 100 100 GLU CB C 100 31.806 31.560 0.246 1 1 1117 . 12 1 1 A 100 100 GLU N N 100 125.607 125.160 0.447 1 1 1118 . 12 1 1 A 101 101 TYR H H 101 8.576 8.657 -0.081 1 1 1119 . 12 1 1 A 101 101 TYR HA H 101 4.568 5.383 -0.815 1 1 1126 . 12 1 1 A 101 101 TYR CA C 101 54.809 55.362 -0.553 1 1 1127 . 12 1 1 A 101 101 TYR CB C 101 39.516 41.398 -1.882 1 1 1130 . 12 1 1 A 101 101 TYR N N 101 117.224 119.358 -2.134 1 1 1131 . 12 1 1 A 102 102 GLY H H 102 6.489 7.421 -0.932 1 1 1132 . 12 1 1 A 102 102 GLY HA2 H 102 3.948 4.172 -0.224 1 1 1133 . 12 1 1 A 102 102 GLY HA3 H 102 4.190 4.203 -0.013 1 1 1134 . 12 1 1 A 102 102 GLY CA C 102 46.509 45.872 0.637 1 1 1135 . 12 1 1 A 102 102 GLY N N 102 103.890 106.349 -2.459 1 1 1136 . 12 1 1 A 103 103 GLN H H 103 8.789 8.969 -0.180 1 1 1137 . 12 1 1 A 103 103 GLN HA H 103 4.893 5.268 -0.375 1 1 1144 . 12 1 1 A 103 103 GLN CA C 103 54.742 54.276 0.466 1 1 1145 . 12 1 1 A 103 103 GLN CB C 103 31.972 32.434 -0.462 1 1 1147 . 12 1 1 A 103 103 GLN N N 103 121.055 120.754 0.301 1 1 1149 . 12 1 1 A 104 104 ILE H H 104 8.877 8.841 0.036 1 1 1150 . 12 1 1 A 104 104 ILE HA H 104 5.033 4.928 0.105 1 1 1160 . 12 1 1 A 104 104 ILE CA C 104 59.495 60.098 -0.603 1 1 1161 . 12 1 1 A 104 104 ILE CB C 104 40.485 40.163 0.322 1 1 1165 . 12 1 1 A 104 104 ILE N N 104 119.483 122.073 -2.590 1 1 1166 . 12 1 1 A 105 105 GLN H H 105 8.807 8.862 -0.055 1 1 1167 . 12 1 1 A 105 105 GLN HA H 105 4.785 5.258 -0.473 1 1 1174 . 12 1 1 A 105 105 GLN CA C 105 53.586 54.529 -0.943 1 1 1175 . 12 1 1 A 105 105 GLN CB C 105 32.029 30.183 1.846 1 1 1177 . 12 1 1 A 105 105 GLN N N 105 126.014 124.162 1.852 1 1 1179 . 12 1 1 A 106 106 GLY H H 106 8.680 8.366 0.314 1 1 1180 . 12 1 1 A 106 106 GLY HA2 H 106 4.878 4.217 0.661 1 1 1181 . 12 1 1 A 106 106 GLY HA3 H 106 3.898 4.264 -0.366 1 1 1182 . 12 1 1 A 106 106 GLY CA C 106 43.994 45.139 -1.145 1 1 1183 . 12 1 1 A 106 106 GLY N N 106 111.899 108.645 3.254 1 1 1184 . 12 1 1 A 107 107 THR H H 107 7.984 8.697 -0.713 1 1 1185 . 12 1 1 A 107 107 THR HA H 107 4.571 4.820 -0.249 1 1 1190 . 12 1 1 A 107 107 THR CA C 107 59.611 60.092 -0.481 1 1 1191 . 12 1 1 A 107 107 THR CB C 107 71.146 70.634 0.512 1 1 1193 . 12 1 1 A 107 107 THR N N 107 111.498 111.153 0.345 1 1 1194 . 12 1 1 A 108 108 ILE H H 108 8.345 8.898 -0.553 1 1 1195 . 12 1 1 A 108 108 ILE HA H 108 3.775 3.619 0.156 1 1 1205 . 12 1 1 A 108 108 ILE CA C 108 62.916 65.624 -2.708 1 1 1206 . 12 1 1 A 108 108 ILE CB C 108 37.737 37.689 0.048 1 1 1210 . 12 1 1 A 108 108 ILE N N 108 117.576 122.140 -4.564 1 1 1211 . 12 1 1 A 109 109 ASP H H 109 7.753 8.764 -1.011 1 1 1212 . 12 1 1 A 109 109 ASP HA H 109 4.564 4.505 0.059 1 1 1215 . 12 1 1 A 109 109 ASP CA C 109 54.540 56.773 -2.233 1 1 1216 . 12 1 1 A 109 109 ASP CB C 109 41.360 40.559 0.801 1 1 1217 . 12 1 1 A 109 109 ASP N N 109 116.045 119.825 -3.780 1 1 1218 . 12 1 1 A 110 110 ASN H H 110 7.719 7.640 0.079 1 1 1219 . 12 1 1 A 110 110 ASN HA H 110 4.723 5.143 -0.420 1 1 1224 . 12 1 1 A 110 110 ASN CA C 110 53.036 51.800 1.236 1 1 1225 . 12 1 1 A 110 110 ASN CB C 110 38.443 40.191 -1.748 1 1 1226 . 12 1 1 A 110 110 ASN N N 110 119.075 115.475 3.600 1 1 1228 . 12 1 1 A 111 111 PHE H H 111 7.977 8.623 -0.646 1 1 1229 . 12 1 1 A 111 111 PHE HA H 111 5.249 5.399 -0.150 1 1 1237 . 12 1 1 A 111 111 PHE CA C 111 56.627 55.305 1.322 1 1 1238 . 12 1 1 A 111 111 PHE CB C 111 40.215 42.797 -2.582 1 1 1242 . 12 1 1 A 111 111 PHE N N 111 122.138 118.488 3.650 1 1 1243 . 12 1 1 A 112 112 GLN H H 112 8.715 8.557 0.158 1 1 1244 . 12 1 1 A 112 112 GLN HA H 112 4.540 4.835 -0.295 1 1 1251 . 12 1 1 A 112 112 GLN CA C 112 54.035 54.069 -0.034 1 1 1252 . 12 1 1 A 112 112 GLN CB C 112 31.861 31.986 -0.125 1 1 1254 . 12 1 1 A 112 112 GLN N N 112 119.575 118.942 0.633 1 1 1256 . 12 1 1 A 113 113 GLU H H 113 8.546 8.690 -0.144 1 1 1257 . 12 1 1 A 113 113 GLU HA H 113 4.780 4.717 0.063 1 1 1262 . 12 1 1 A 113 113 GLU CA C 113 55.412 56.180 -0.768 1 1 1263 . 12 1 1 A 113 113 GLU CB C 113 29.886 30.354 -0.468 1 1 1265 . 12 1 1 A 113 113 GLU N N 113 122.846 122.895 -0.049 1 1 1266 . 12 1 1 A 114 114 ILE H H 114 8.913 8.560 0.353 1 1 1267 . 12 1 1 A 114 114 ILE HA H 114 4.662 4.637 0.025 1 1 1277 . 12 1 1 A 114 114 ILE CA C 114 59.144 59.230 -0.086 1 1 1278 . 12 1 1 A 114 114 ILE CB C 114 41.873 40.568 1.305 1 1 1282 . 12 1 1 A 114 114 ILE N N 114 120.222 120.284 -0.062 1 1 1283 . 12 1 1 A 115 115 ASN H H 115 8.916 8.770 0.146 1 1 1284 . 12 1 1 A 115 115 ASN HA H 115 4.340 4.198 0.142 1 1 1289 . 12 1 1 A 115 115 ASN CA C 115 53.444 54.154 -0.710 1 1 1290 . 12 1 1 A 115 115 ASN CB C 115 36.467 37.107 -0.640 1 1 1291 . 12 1 1 A 115 115 ASN N N 115 120.916 118.753 2.163 1 1 1293 . 12 1 1 A 116 116 VAL H H 116 8.044 7.826 0.218 1 1 1294 . 12 1 1 A 116 116 VAL HA H 116 4.389 4.499 -0.110 1 1 1302 . 12 1 1 A 116 116 VAL CA C 116 63.183 61.019 2.164 1 1 1303 . 12 1 1 A 116 116 VAL CB C 116 32.216 32.876 -0.660 1 1 1306 . 12 1 1 A 116 116 VAL N N 116 117.046 118.768 -1.722 1 1 1307 . 12 1 1 A 117 117 GLN H H 117 8.582 8.540 0.042 1 1 1308 . 12 1 1 A 117 117 GLN HA H 117 4.550 4.793 -0.243 1 1 1315 . 12 1 1 A 117 117 GLN CA C 117 53.827 53.806 0.021 1 1 1316 . 12 1 1 A 117 117 GLN CB C 117 33.119 31.853 1.266 1 1 1318 . 12 1 1 A 117 117 GLN N N 117 127.086 126.827 0.259 1 1 1320 . 12 1 1 A 118 118 ASN H H 118 8.330 8.742 -0.412 1 1 1321 . 12 1 1 A 118 118 ASN HA H 118 5.845 6.046 -0.201 1 1 1326 . 12 1 1 A 118 118 ASN CA C 118 51.736 51.591 0.145 1 1 1327 . 12 1 1 A 118 118 ASN CB C 118 42.644 41.624 1.020 1 1 1328 . 12 1 1 A 118 118 ASN N N 118 113.251 117.240 -3.989 1 1 1330 . 12 1 1 A 119 119 GLN H H 119 9.187 8.972 0.215 1 1 1331 . 12 1 1 A 119 119 GLN HA H 119 4.693 4.988 -0.295 1 1 1338 . 12 1 1 A 119 119 GLN CA C 119 55.160 54.536 0.624 1 1 1339 . 12 1 1 A 119 119 GLN CB C 119 34.157 32.824 1.333 1 1 1341 . 12 1 1 A 119 119 GLN N N 119 116.799 121.203 -4.404 1 1 1343 . 12 1 1 A 120 120 LEU H H 120 8.544 8.874 -0.330 1 1 1344 . 12 1 1 A 120 120 LEU HA H 120 5.059 5.216 -0.157 1 1 1354 . 12 1 1 A 120 120 LEU CA C 120 54.327 53.519 0.808 1 1 1355 . 12 1 1 A 120 120 LEU CB C 120 42.839 43.600 -0.761 1 1 1359 . 12 1 1 A 120 120 LEU N N 120 123.292 124.340 -1.048 1 1 1360 . 12 1 1 A 121 121 ILE H H 121 8.657 9.251 -0.594 1 1 1361 . 12 1 1 A 121 121 ILE HA H 121 4.778 4.961 -0.183 1 1 1371 . 12 1 1 A 121 121 ILE CA C 121 58.770 58.750 0.020 1 1 1372 . 12 1 1 A 121 121 ILE CB C 121 41.582 40.803 0.779 1 1 1376 . 12 1 1 A 121 121 ILE N N 121 116.046 120.738 -4.692 1 1 1377 . 12 1 1 A 122 122 ASN H H 122 8.329 8.894 -0.565 1 1 1378 . 12 1 1 A 122 122 ASN HA H 122 5.068 5.458 -0.390 1 1 1383 . 12 1 1 A 122 122 ASN CA C 122 52.654 51.638 1.016 1 1 1384 . 12 1 1 A 122 122 ASN CB C 122 42.112 41.349 0.763 1 1 1385 . 12 1 1 A 122 122 ASN N N 122 118.416 121.446 -3.030 1 1 1387 . 12 1 1 A 123 123 ALA H H 123 8.547 8.587 -0.040 1 1 1388 . 12 1 1 A 123 123 ALA HA H 123 4.597 4.591 0.006 1 1 1392 . 12 1 1 A 123 123 ALA CA C 123 48.537 48.986 -0.449 1 1 1393 . 12 1 1 A 123 123 ALA CB C 123 19.998 20.430 -0.432 1 1 1394 . 12 1 1 A 123 123 ALA N N 123 124.108 126.651 -2.543 1 1 1395 . 12 1 1 A 124 124 PRO HA H 124 4.537 4.473 0.064 1 1 1402 . 12 1 1 A 124 124 PRO CA C 124 60.979 62.445 -1.466 1 1 1403 . 12 1 1 A 124 124 PRO CB C 124 32.285 32.268 0.017 1 1 1406 . 12 1 1 A 125 125 ALA H H 125 8.587 8.285 0.302 1 1 1407 . 12 1 1 A 125 125 ALA HA H 125 3.899 4.601 -0.702 1 1 1411 . 12 1 1 A 125 125 ALA CA C 125 52.692 51.753 0.939 1 1 1412 . 12 1 1 A 125 125 ALA CB C 125 18.631 19.742 -1.111 1 1 1413 . 12 1 1 A 125 125 ALA N N 125 121.333 123.555 -2.222 1 1 1414 . 12 1 1 A 126 126 SER H H 126 8.227 8.998 -0.771 1 1 1415 . 12 1 1 A 126 126 SER HA H 126 4.616 4.535 0.081 1 1 1418 . 12 1 1 A 126 126 SER CA C 126 59.168 58.848 0.320 1 1 1419 . 12 1 1 A 126 126 SER CB C 126 64.636 63.610 1.026 1 1 1420 . 12 1 1 A 126 126 SER N N 126 118.947 118.364 0.583 1 1 1421 . 12 1 1 A 127 127 VAL H H 127 8.595 8.780 -0.185 1 1 1422 . 12 1 1 A 127 127 VAL HA H 127 4.276 3.986 0.290 1 1 1430 . 12 1 1 A 127 127 VAL CA C 127 62.194 64.632 -2.438 1 1 1431 . 12 1 1 A 127 127 VAL CB C 127 32.852 32.533 0.319 1 1 1434 . 12 1 1 A 127 127 VAL N N 127 117.209 127.711 -10.502 1 1 1435 . 12 1 1 A 128 128 LEU H H 128 7.844 7.702 0.142 1 1 1436 . 12 1 1 A 128 128 LEU HA H 128 4.588 4.826 -0.238 1 1 1446 . 12 1 1 A 128 128 LEU CA C 128 53.639 52.906 0.733 1 1 1447 . 12 1 1 A 128 128 LEU CB C 128 44.574 44.139 0.435 1 1 1451 . 12 1 1 A 128 128 LEU N N 128 121.103 117.681 3.422 1 1 1452 . 12 1 1 A 129 129 ALA H H 129 8.377 8.556 -0.179 1 1 1453 . 12 1 1 A 129 129 ALA HA H 129 4.538 4.551 -0.013 1 1 1457 . 12 1 1 A 129 129 ALA CA C 129 53.476 50.675 2.801 1 1 1458 . 12 1 1 A 129 129 ALA CB C 129 20.982 18.125 2.857 1 1 1459 . 12 1 1 A 129 129 ALA N N 129 123.679 125.893 -2.214 1 1 1460 . 12 1 1 A 130 130 PRO HA H 130 4.669 4.928 -0.259 1 1 1467 . 12 1 1 A 130 130 PRO CA C 130 62.314 62.381 -0.067 1 1 1468 . 12 1 1 A 130 130 PRO CB C 130 33.473 33.052 0.421 1 1 1471 . 12 1 1 A 131 131 SER H H 131 9.365 8.486 0.879 1 1 1472 . 12 1 1 A 131 131 SER HA H 131 4.520 4.749 -0.229 1 1 1475 . 12 1 1 A 131 131 SER CA C 131 59.385 57.904 1.481 1 1 1476 . 12 1 1 A 131 131 SER CB C 131 63.866 61.730 2.136 1 1 1477 . 12 1 1 A 131 131 SER N N 131 122.226 116.114 6.112 1 1 1478 . 12 1 1 A 132 132 ASP H H 132 8.608 8.449 0.159 1 1 1479 . 12 1 1 A 132 132 ASP HA H 132 5.260 5.944 -0.684 1 1 1482 . 12 1 1 A 132 132 ASP CA C 132 53.345 52.770 0.575 1 1 1483 . 12 1 1 A 132 132 ASP CB C 132 41.791 43.195 -1.404 1 1 1484 . 12 1 1 A 132 132 ASP N N 132 124.814 122.902 1.912 1 1 1485 . 12 1 1 A 133 133 VAL H H 133 9.405 8.935 0.470 1 1 1486 . 12 1 1 A 133 133 VAL HA H 133 4.226 4.951 -0.725 1 1 1494 . 12 1 1 A 133 133 VAL CA C 133 61.669 60.175 1.494 1 1 1495 . 12 1 1 A 133 133 VAL CB C 133 34.448 35.868 -1.420 1 1 1498 . 12 1 1 A 133 133 VAL N N 133 127.192 124.265 2.927 1 1 1499 . 12 1 1 A 134 134 ASP H H 134 8.468 9.211 -0.743 1 1 1500 . 12 1 1 A 134 134 ASP HA H 134 5.368 5.823 -0.455 1 1 1503 . 12 1 1 A 134 134 ASP CA C 134 52.326 52.455 -0.129 1 1 1504 . 12 1 1 A 134 134 ASP CB C 134 41.245 44.665 -3.420 1 1 1505 . 12 1 1 A 134 134 ASP N N 134 127.161 122.202 4.959 1 1 1506 . 12 1 1 A 135 135 ILE H H 135 9.406 8.572 0.834 1 1 1507 . 12 1 1 A 135 135 ILE HA H 135 4.636 4.846 -0.210 1 1 1517 . 12 1 1 A 135 135 ILE CA C 135 57.478 57.017 0.461 1 1 1518 . 12 1 1 A 135 135 ILE CB C 135 39.411 40.913 -1.502 1 1 1522 . 12 1 1 A 135 135 ILE N N 135 125.603 117.866 7.737 1 1 1523 . 12 1 1 A 136 136 PRO HA H 136 4.844 4.971 -0.127 1 1 1530 . 12 1 1 A 136 136 PRO CA C 136 62.314 62.366 -0.052 1 1 1531 . 12 1 1 A 136 136 PRO CB C 136 31.563 31.737 -0.174 1 1 1534 . 12 1 1 A 137 137 LEU H H 137 9.196 8.722 0.474 1 1 1535 . 12 1 1 A 137 137 LEU HA H 137 4.739 4.733 0.006 1 1 1545 . 12 1 1 A 137 137 LEU CA C 137 53.609 53.864 -0.255 1 1 1546 . 12 1 1 A 137 137 LEU CB C 137 45.473 44.154 1.319 1 1 1550 . 12 1 1 A 137 137 LEU N N 137 124.087 123.788 0.299 1 1 1551 . 12 1 1 A 138 138 GLN H H 138 8.928 8.905 0.023 1 1 1552 . 12 1 1 A 138 138 GLN HA H 138 4.581 4.643 -0.062 1 1 1559 . 12 1 1 A 138 138 GLN CA C 138 54.780 54.581 0.199 1 1 1560 . 12 1 1 A 138 138 GLN CB C 138 29.048 29.948 -0.900 1 1 1562 . 12 1 1 A 138 138 GLN N N 138 122.528 127.926 -5.398 1 1 1564 . 12 1 1 A 139 139 LEU H H 139 9.039 8.745 0.294 1 1 1565 . 12 1 1 A 139 139 LEU HA H 139 4.205 4.192 0.013 1 1 1575 . 12 1 1 A 139 139 LEU CA C 139 52.367 53.547 -1.180 1 1 1576 . 12 1 1 A 139 139 LEU CB C 139 38.673 42.031 -3.358 1 1 1580 . 12 1 1 A 139 139 LEU N N 139 127.667 127.482 0.185 1 1 1581 . 12 1 1 A 140 140 LYS H H 140 8.078 8.426 -0.348 1 1 1582 . 12 1 1 A 140 140 LYS HA H 140 4.352 4.924 -0.572 1 1 1591 . 12 1 1 A 140 140 LYS CA C 140 56.826 54.505 2.321 1 1 1592 . 12 1 1 A 140 140 LYS CB C 140 32.657 35.551 -2.894 1 1 1596 . 12 1 1 A 140 140 LYS N N 140 124.108 122.011 2.097 1 1 1597 . 12 1 1 A 141 141 GLY H H 141 9.166 8.860 0.306 1 1 1598 . 12 1 1 A 141 141 GLY HA2 H 141 3.788 4.005 -0.217 1 1 1599 . 12 1 1 A 141 141 GLY HA3 H 141 4.119 4.025 0.094 1 1 1600 . 12 1 1 A 141 141 GLY CA C 141 45.682 45.734 -0.052 1 1 1601 . 12 1 1 A 141 141 GLY N N 141 110.698 111.220 -0.522 1 1 1602 . 12 1 1 A 142 142 ILE H H 142 7.112 7.836 -0.724 1 1 1603 . 12 1 1 A 142 142 ILE HA H 142 4.600 4.726 -0.126 1 1 1613 . 12 1 1 A 142 142 ILE CA C 142 58.547 59.761 -1.214 1 1 1614 . 12 1 1 A 142 142 ILE CB C 142 40.437 41.545 -1.108 1 1 1618 . 12 1 1 A 142 142 ILE N N 142 117.928 120.407 -2.479 1 1 1619 . 12 1 1 A 143 143 SER H H 143 8.381 8.959 -0.578 1 1 1620 . 12 1 1 A 143 143 SER HA H 143 4.613 4.506 0.107 1 1 1623 . 12 1 1 A 143 143 SER CA C 143 56.654 58.419 -1.765 1 1 1624 . 12 1 1 A 143 143 SER CB C 143 65.051 64.082 0.969 1 1 1625 . 12 1 1 A 143 143 SER N N 143 123.373 123.644 -0.271 1 1 1626 . 12 1 1 A 144 144 VAL H H 144 8.702 8.610 0.092 1 1 1627 . 12 1 1 A 144 144 VAL HA H 144 3.593 4.038 -0.445 1 1 1635 . 12 1 1 A 144 144 VAL CA C 144 65.655 65.213 0.442 1 1 1636 . 12 1 1 A 144 144 VAL CB C 144 31.434 31.677 -0.243 1 1 1639 . 12 1 1 A 144 144 VAL N N 144 120.791 126.048 -5.257 1 1 1640 . 12 1 1 A 145 145 ASP H H 145 8.151 8.124 0.027 1 1 1641 . 12 1 1 A 145 145 ASP HA H 145 4.435 4.430 0.005 1 1 1644 . 12 1 1 A 145 145 ASP CA C 145 55.211 56.490 -1.279 1 1 1645 . 12 1 1 A 145 145 ASP CB C 145 40.268 40.859 -0.591 1 1 1646 . 12 1 1 A 145 145 ASP N N 145 115.698 120.954 -5.256 1 1 1647 . 12 1 1 A 146 146 GLN H H 146 7.553 7.611 -0.058 1 1 1648 . 12 1 1 A 146 146 GLN HA H 146 4.302 4.411 -0.109 1 1 1655 . 12 1 1 A 146 146 GLN CA C 146 55.072 55.372 -0.300 1 1 1656 . 12 1 1 A 146 146 GLN CB C 146 29.990 29.499 0.491 1 1 1658 . 12 1 1 A 146 146 GLN N N 146 117.118 116.041 1.077 1 1 1660 . 12 1 1 A 147 147 LEU H H 147 7.368 7.379 -0.011 1 1 1661 . 12 1 1 A 147 147 LEU HA H 147 4.119 4.376 -0.257 1 1 1671 . 12 1 1 A 147 147 LEU CA C 147 54.904 54.602 0.302 1 1 1672 . 12 1 1 A 147 147 LEU CB C 147 40.355 41.116 -0.761 1 1 1676 . 12 1 1 A 147 147 LEU N N 147 121.541 121.870 -0.329 1 1 1677 . 12 1 1 A 148 148 GLY H H 148 8.791 8.951 -0.160 1 1 1678 . 12 1 1 A 148 148 GLY HA2 H 148 4.512 3.979 0.533 1 1 1679 . 12 1 1 A 148 148 GLY HA3 H 148 3.997 4.062 -0.065 1 1 1680 . 12 1 1 A 148 148 GLY CA C 148 45.610 46.700 -1.090 1 1 1681 . 12 1 1 A 148 148 GLY N N 148 116.322 113.182 3.140 1 1 1682 . 12 1 1 A 149 149 PHE H H 149 7.790 7.659 0.131 1 1 1683 . 12 1 1 A 149 149 PHE HA H 149 5.215 5.037 0.178 1 1 1691 . 12 1 1 A 149 149 PHE CA C 149 56.942 56.472 0.470 1 1 1692 . 12 1 1 A 149 149 PHE CB C 149 42.019 41.376 0.643 1 1 1696 . 12 1 1 A 149 149 PHE N N 149 113.675 113.066 0.609 1 1 1697 . 12 1 1 A 150 150 VAL H H 150 8.549 9.160 -0.611 1 1 1698 . 12 1 1 A 150 150 VAL HA H 150 4.776 4.779 -0.003 1 1 1706 . 12 1 1 A 150 150 VAL CA C 150 61.068 61.554 -0.486 1 1 1707 . 12 1 1 A 150 150 VAL CB C 150 34.594 33.182 1.412 1 1 1710 . 12 1 1 A 150 150 VAL N N 150 118.208 120.472 -2.264 1 1 1711 . 12 1 1 A 151 151 ARG H H 151 9.953 9.344 0.609 1 1 1712 . 12 1 1 A 151 151 ARG HA H 151 5.783 5.180 0.603 1 1 1719 . 12 1 1 A 151 151 ARG CA C 151 53.530 55.239 -1.709 1 1 1720 . 12 1 1 A 151 151 ARG CB C 151 33.540 31.197 2.343 1 1 1723 . 12 1 1 A 151 151 ARG N N 151 128.446 128.877 -0.431 1 1 1724 . 12 1 1 A 152 152 ILE H H 152 8.905 8.483 0.422 1 1 1725 . 12 1 1 A 152 152 ILE HA H 152 5.188 4.576 0.612 1 1 1735 . 12 1 1 A 152 152 ILE CA C 152 60.464 61.251 -0.787 1 1 1736 . 12 1 1 A 152 152 ILE CB C 152 39.542 38.535 1.007 1 1 1740 . 12 1 1 A 152 152 ILE N N 152 127.149 127.219 -0.070 1 1 1741 . 12 1 1 A 153 153 HIS H H 153 8.941 8.689 0.252 1 1 1742 . 12 1 1 A 153 153 HIS HA H 153 5.074 4.831 0.243 1 1 1747 . 12 1 1 A 153 153 HIS CA C 153 53.417 54.866 -1.449 1 1 1748 . 12 1 1 A 153 153 HIS CB C 153 31.734 31.948 -0.214 1 1 1751 . 12 1 1 A 153 153 HIS N N 153 119.132 122.328 -3.196 1 1 1752 . 12 1 1 A 154 154 ASP H H 154 9.109 8.741 0.368 1 1 1753 . 12 1 1 A 154 154 ASP HA H 154 4.276 4.003 0.273 1 1 1756 . 12 1 1 A 154 154 ASP CA C 154 55.630 54.978 0.652 1 1 1757 . 12 1 1 A 154 154 ASP CB C 154 39.450 39.034 0.416 1 1 1758 . 12 1 1 A 154 154 ASP N N 154 116.420 116.723 -0.303 1 1 1759 . 12 1 1 A 155 155 ILE H H 155 8.062 7.999 0.063 1 1 1760 . 12 1 1 A 155 155 ILE HA H 155 5.051 4.314 0.737 1 1 1770 . 12 1 1 A 155 155 ILE CA C 155 59.666 61.929 -2.263 1 1 1771 . 12 1 1 A 155 155 ILE CB C 155 35.757 37.391 -1.634 1 1 1775 . 12 1 1 A 155 155 ILE N N 155 119.131 119.441 -0.310 1 1 1776 . 12 1 1 A 156 156 GLN H H 156 9.011 9.200 -0.189 1 1 1777 . 12 1 1 A 156 156 GLN HA H 156 4.993 4.970 0.023 1 1 1784 . 12 1 1 A 156 156 GLN CA C 156 51.975 53.009 -1.034 1 1 1785 . 12 1 1 A 156 156 GLN CB C 156 31.210 31.822 -0.612 1 1 1787 . 12 1 1 A 156 156 GLN N N 156 127.177 124.174 3.003 1 1 1789 . 12 1 1 A 157 157 PRO HA H 157 4.964 4.716 0.248 1 1 1796 . 12 1 1 A 157 157 PRO CA C 157 61.770 62.986 -1.216 1 1 1797 . 12 1 1 A 157 157 PRO CB C 157 31.637 32.410 -0.773 1 1 1800 . 12 1 1 A 158 158 VAL H H 158 7.921 8.187 -0.266 1 1 1801 . 12 1 1 A 158 158 VAL HA H 158 4.107 4.209 -0.102 1 1 1809 . 12 1 1 A 158 158 VAL CA C 158 62.234 62.057 0.177 1 1 1810 . 12 1 1 A 158 158 VAL CB C 158 32.610 31.626 0.984 1 1 1813 . 12 1 1 A 158 158 VAL N N 158 121.642 116.473 5.169 1 1 1814 . 12 1 1 A 159 159 MET H H 159 8.544 7.619 0.925 1 1 1815 . 12 1 1 A 159 159 MET HA H 159 4.548 4.762 -0.214 1 1 1820 . 12 1 1 A 159 159 MET CA C 159 54.731 53.962 0.769 1 1 1821 . 12 1 1 A 159 159 MET CB C 159 32.547 34.087 -1.540 1 1 1823 . 12 1 1 A 159 159 MET N N 159 124.452 118.686 5.766 1 1 1824 . 12 1 1 A 160 160 GLN H H 160 8.434 8.606 -0.172 1 1 1825 . 12 1 1 A 160 160 GLN HA H 160 4.354 4.418 -0.064 1 1 1832 . 12 1 1 A 160 160 GLN CA C 160 55.399 54.818 0.581 1 1 1833 . 12 1 1 A 160 160 GLN CB C 160 29.112 29.255 -0.143 1 1 1835 . 12 1 1 A 160 160 GLN N N 160 121.917 118.439 3.478 1 1 1837 . 12 1 1 A 161 161 LEU H H 161 8.325 8.821 -0.496 1 1 1838 . 12 1 1 A 161 161 LEU HA H 161 4.314 3.965 0.349 1 1 1848 . 12 1 1 A 161 161 LEU CA C 161 55.040 56.067 -1.027 1 1 1849 . 12 1 1 A 161 161 LEU CB C 161 42.225 40.194 2.031 1 1 1853 . 12 1 1 A 161 161 LEU N N 161 123.826 117.749 6.077 1 1 1854 . 12 1 1 A 162 162 GLU H H 162 8.358 7.928 0.430 1 1 1855 . 12 1 1 A 162 162 GLU HA H 162 4.216 4.415 -0.199 1 1 1860 . 12 1 1 A 162 162 GLU CA C 162 56.343 56.569 -0.226 1 1 1861 . 12 1 1 A 162 162 GLU CB C 162 30.083 31.209 -1.126 1 1 1863 . 12 1 1 A 162 162 GLU N N 162 121.293 119.466 1.827 1 1 1864 . 12 1 1 A 163 163 HIS H H 163 8.376 8.728 -0.352 1 1 1865 . 12 1 1 A 163 163 HIS HA H 163 4.641 4.954 -0.313 1 1 1868 . 12 1 1 A 163 163 HIS CA C 163 55.437 54.391 1.046 1 1 1869 . 12 1 1 A 163 163 HIS CB C 163 29.412 32.370 -2.958 1 1 1870 . 12 1 1 A 163 163 HIS N N 163 121.307 119.495 1.812 1 1 1871 . 12 1 1 A 164 164 HIS H H 164 8.289 8.307 -0.018 1 1 1872 . 12 1 1 A 164 164 HIS N N 164 125.228 123.301 1.927 1 1 1873 . 12 1 1 A 166 166 HIS HA H 166 4.300 5.363 -1.063 1 1 1876 . 12 1 1 A 166 166 HIS CA C 166 55.708 53.942 1.766 1 1 1877 . 12 1 1 A 166 166 HIS CB C 166 29.207 32.474 -3.267 1 1 1878 . 12 1 1 A 167 167 HIS H H 167 8.591 9.249 -0.658 1 1 1879 . 12 1 1 A 167 167 HIS HA H 167 4.541 4.254 0.287 1 1 1882 . 12 1 1 A 167 167 HIS CA C 167 54.678 56.797 -2.119 1 1 1883 . 12 1 1 A 167 167 HIS CB C 167 26.256 28.148 -1.892 1 1 1884 . 12 1 1 A 167 167 HIS N N 167 121.317 118.397 2.920 1 1 1 . 13 1 1 A 2 2 VAL HA H 2 3.850 4.897 -1.047 1 1 9 . 13 1 1 A 2 2 VAL CA C 2 61.400 59.923 1.477 1 1 10 . 13 1 1 A 2 2 VAL CB C 2 32.400 35.074 -2.674 1 1 13 . 13 1 1 A 3 3 GLN HA H 3 4.445 5.193 -0.748 1 1 18 . 13 1 1 A 3 3 GLN CA C 3 55.467 54.242 1.225 1 1 19 . 13 1 1 A 3 3 GLN CB C 3 29.271 31.680 -2.409 1 1 21 . 13 1 1 A 4 4 GLN H H 4 8.703 9.023 -0.320 1 1 22 . 13 1 1 A 4 4 GLN HA H 4 4.356 5.245 -0.889 1 1 27 . 13 1 1 A 4 4 GLN CA C 4 55.961 53.924 2.037 1 1 28 . 13 1 1 A 4 4 GLN CB C 4 29.178 33.178 -4.000 1 1 30 . 13 1 1 A 4 4 GLN N N 4 123.281 119.436 3.845 1 1 31 . 13 1 1 A 5 5 SER H H 5 8.426 8.580 -0.154 1 1 32 . 13 1 1 A 5 5 SER HA H 5 4.424 5.071 -0.647 1 1 35 . 13 1 1 A 5 5 SER CA C 5 58.498 57.696 0.802 1 1 36 . 13 1 1 A 5 5 SER CB C 5 63.534 65.695 -2.161 1 1 37 . 13 1 1 A 5 5 SER N N 5 116.845 113.966 2.879 1 1 38 . 13 1 1 A 6 6 GLU H H 6 8.434 9.014 -0.580 1 1 39 . 13 1 1 A 6 6 GLU HA H 6 4.342 4.894 -0.552 1 1 44 . 13 1 1 A 6 6 GLU CA C 6 56.410 54.506 1.904 1 1 45 . 13 1 1 A 6 6 GLU CB C 6 29.873 33.721 -3.848 1 1 47 . 13 1 1 A 6 6 GLU N N 6 122.965 127.281 -4.316 1 1 48 . 13 1 1 A 7 7 VAL H H 7 8.131 8.662 -0.531 1 1 49 . 13 1 1 A 7 7 VAL HA H 7 4.063 4.913 -0.850 1 1 57 . 13 1 1 A 7 7 VAL CA C 7 62.213 58.744 3.469 1 1 58 . 13 1 1 A 7 7 VAL CB C 7 32.391 35.505 -3.114 1 1 61 . 13 1 1 A 7 7 VAL N N 7 121.508 117.596 3.912 1 1 62 . 13 1 1 A 8 8 ARG H H 8 8.376 8.664 -0.288 1 1 63 . 13 1 1 A 8 8 ARG HA H 8 4.335 4.801 -0.466 1 1 70 . 13 1 1 A 8 8 ARG CA C 8 56.013 54.532 1.481 1 1 71 . 13 1 1 A 8 8 ARG CB C 8 30.528 31.977 -1.449 1 1 74 . 13 1 1 A 8 8 ARG N N 8 124.504 121.457 3.047 1 1 75 . 13 1 1 A 9 9 GLN H H 9 8.360 8.366 -0.006 1 1 76 . 13 1 1 A 9 9 GLN HA H 9 4.353 4.466 -0.113 1 1 81 . 13 1 1 A 9 9 GLN CA C 9 55.446 55.878 -0.432 1 1 82 . 13 1 1 A 9 9 GLN CB C 9 29.236 30.065 -0.829 1 1 84 . 13 1 1 A 9 9 GLN N N 9 121.537 123.593 -2.056 1 1 85 . 13 1 1 A 10 10 MET H H 10 8.391 8.527 -0.136 1 1 86 . 13 1 1 A 10 10 MET HA H 10 4.459 4.682 -0.223 1 1 91 . 13 1 1 A 10 10 MET CA C 10 55.062 54.916 0.146 1 1 92 . 13 1 1 A 10 10 MET CB C 10 32.482 33.832 -1.350 1 1 94 . 13 1 1 A 10 10 MET N N 10 122.199 120.296 1.903 1 1 95 . 13 1 1 A 11 11 LYS H H 11 8.317 8.982 -0.665 1 1 96 . 13 1 1 A 11 11 LYS HA H 11 4.296 5.227 -0.931 1 1 105 . 13 1 1 A 11 11 LYS CA C 11 56.114 54.398 1.716 1 1 106 . 13 1 1 A 11 11 LYS CB C 11 32.372 36.342 -3.970 1 1 110 . 13 1 1 A 11 11 LYS N N 11 122.440 114.703 7.737 1 1 111 . 13 1 1 A 12 12 HIS H H 12 8.489 8.865 -0.376 1 1 112 . 13 1 1 A 12 12 HIS HA H 12 4.748 5.313 -0.565 1 1 116 . 13 1 1 A 12 12 HIS CA C 12 55.052 54.374 0.678 1 1 117 . 13 1 1 A 12 12 HIS CB C 12 29.094 33.441 -4.347 1 1 119 . 13 1 1 A 12 12 HIS N N 12 119.934 121.647 -1.713 1 1 120 . 13 1 1 A 13 13 SER H H 13 8.401 8.139 0.262 1 1 121 . 13 1 1 A 13 13 SER HA H 13 4.518 4.268 0.250 1 1 124 . 13 1 1 A 13 13 SER CA C 13 57.855 57.637 0.218 1 1 125 . 13 1 1 A 13 13 SER CB C 13 63.750 64.061 -0.311 1 1 126 . 13 1 1 A 13 13 SER N N 13 117.596 120.474 -2.878 1 1 127 . 13 1 1 A 14 14 VAL H H 14 8.285 8.506 -0.221 1 1 128 . 13 1 1 A 14 14 VAL HA H 14 4.239 4.923 -0.684 1 1 136 . 13 1 1 A 14 14 VAL CA C 14 62.078 59.583 2.495 1 1 137 . 13 1 1 A 14 14 VAL CB C 14 32.564 34.745 -2.181 1 1 140 . 13 1 1 A 14 14 VAL N N 14 121.378 122.037 -0.659 1 1 141 . 13 1 1 A 15 15 SER H H 15 8.419 8.833 -0.414 1 1 142 . 13 1 1 A 15 15 SER HA H 15 4.556 4.905 -0.349 1 1 145 . 13 1 1 A 15 15 SER CA C 15 57.855 56.953 0.902 1 1 146 . 13 1 1 A 15 15 SER CB C 15 63.600 64.323 -0.723 1 1 147 . 13 1 1 A 15 15 SER N N 15 119.022 121.725 -2.703 1 1 148 . 13 1 1 A 16 16 THR H H 16 8.189 8.425 -0.236 1 1 149 . 13 1 1 A 16 16 THR HA H 16 4.362 4.924 -0.562 1 1 154 . 13 1 1 A 16 16 THR CA C 16 61.510 60.736 0.774 1 1 155 . 13 1 1 A 16 16 THR CB C 16 69.292 70.025 -0.733 1 1 157 . 13 1 1 A 16 16 THR N N 16 116.040 116.156 -0.116 1 1 158 . 13 1 1 A 17 17 LEU H H 17 8.168 8.872 -0.704 1 1 159 . 13 1 1 A 17 17 LEU HA H 17 4.331 4.236 0.095 1 1 169 . 13 1 1 A 17 17 LEU CA C 17 55.446 55.166 0.280 1 1 170 . 13 1 1 A 17 17 LEU CB C 17 42.032 42.331 -0.299 1 1 174 . 13 1 1 A 17 17 LEU N N 17 123.796 127.394 -3.598 1 1 175 . 13 1 1 A 18 18 ASN H H 18 8.406 8.650 -0.244 1 1 176 . 13 1 1 A 18 18 ASN HA H 18 4.685 5.125 -0.440 1 1 181 . 13 1 1 A 18 18 ASN CA C 18 53.276 52.241 1.035 1 1 182 . 13 1 1 A 18 18 ASN CB C 18 38.462 39.243 -0.781 1 1 183 . 13 1 1 A 18 18 ASN N N 18 119.197 120.779 -1.582 1 1 185 . 13 1 1 A 19 19 GLN H H 19 8.346 8.539 -0.193 1 1 186 . 13 1 1 A 19 19 GLN HA H 19 4.319 4.764 -0.445 1 1 193 . 13 1 1 A 19 19 GLN CA C 19 56.075 54.195 1.880 1 1 194 . 13 1 1 A 19 19 GLN CB C 19 29.077 31.709 -2.632 1 1 196 . 13 1 1 A 19 19 GLN N N 19 120.620 123.387 -2.767 1 1 198 . 13 1 1 A 20 20 GLU H H 20 8.474 8.375 0.099 1 1 199 . 13 1 1 A 20 20 GLU HA H 20 4.269 4.189 0.080 1 1 204 . 13 1 1 A 20 20 GLU CA C 20 56.932 57.118 -0.186 1 1 205 . 13 1 1 A 20 20 GLU CB C 20 29.694 29.691 0.003 1 1 207 . 13 1 1 A 20 20 GLU N N 20 121.410 121.629 -0.219 1 1 208 . 13 1 1 A 21 21 MET H H 21 8.366 8.557 -0.191 1 1 209 . 13 1 1 A 21 21 MET HA H 21 4.538 4.834 -0.296 1 1 214 . 13 1 1 A 21 21 MET CA C 21 55.812 54.857 0.955 1 1 215 . 13 1 1 A 21 21 MET CB C 21 32.188 34.620 -2.432 1 1 217 . 13 1 1 A 21 21 MET N N 21 120.618 124.958 -4.340 1 1 218 . 13 1 1 A 22 22 THR H H 22 8.127 8.442 -0.315 1 1 219 . 13 1 1 A 22 22 THR HA H 22 4.299 4.720 -0.421 1 1 224 . 13 1 1 A 22 22 THR CA C 22 62.287 60.555 1.732 1 1 225 . 13 1 1 A 22 22 THR CB C 22 69.174 69.783 -0.609 1 1 227 . 13 1 1 A 22 22 THR N N 22 114.858 111.285 3.573 1 1 228 . 13 1 1 A 23 23 GLN H H 23 8.342 8.566 -0.224 1 1 229 . 13 1 1 A 23 23 GLN HA H 23 4.339 4.403 -0.064 1 1 236 . 13 1 1 A 23 23 GLN CA C 23 56.148 55.539 0.609 1 1 237 . 13 1 1 A 23 23 GLN CB C 23 29.112 30.012 -0.900 1 1 239 . 13 1 1 A 23 23 GLN N N 23 122.047 120.447 1.600 1 1 241 . 13 1 1 A 24 24 LEU H H 24 8.174 8.119 0.055 1 1 242 . 13 1 1 A 24 24 LEU HA H 24 4.334 4.301 0.033 1 1 252 . 13 1 1 A 24 24 LEU CA C 24 55.519 56.142 -0.623 1 1 253 . 13 1 1 A 24 24 LEU CB C 24 42.146 42.856 -0.710 1 1 257 . 13 1 1 A 24 24 LEU N N 24 122.328 123.066 -0.738 1 1 258 . 13 1 1 A 25 25 ASN H H 25 8.384 8.692 -0.308 1 1 259 . 13 1 1 A 25 25 ASN HA H 25 4.692 5.039 -0.347 1 1 264 . 13 1 1 A 25 25 ASN CA C 25 53.481 51.944 1.537 1 1 265 . 13 1 1 A 25 25 ASN CB C 25 38.445 41.290 -2.845 1 1 266 . 13 1 1 A 25 25 ASN N N 25 119.262 124.053 -4.791 1 1 268 . 13 1 1 A 26 26 GLN H H 26 8.453 8.948 -0.495 1 1 269 . 13 1 1 A 26 26 GLN HA H 26 4.215 3.878 0.337 1 1 276 . 13 1 1 A 26 26 GLN CA C 26 57.037 59.382 -2.345 1 1 277 . 13 1 1 A 26 26 GLN CB C 26 28.996 28.275 0.721 1 1 279 . 13 1 1 A 26 26 GLN N N 26 120.394 121.830 -1.436 1 1 281 . 13 1 1 A 27 27 GLU H H 27 8.501 8.334 0.167 1 1 282 . 13 1 1 A 27 27 GLU HA H 27 4.202 4.108 0.094 1 1 287 . 13 1 1 A 27 27 GLU CA C 27 58.573 59.319 -0.746 1 1 288 . 13 1 1 A 27 27 GLU CB C 27 29.349 29.394 -0.045 1 1 290 . 13 1 1 A 27 27 GLU N N 27 121.130 119.672 1.458 1 1 291 . 13 1 1 A 28 28 THR H H 28 8.032 8.041 -0.009 1 1 292 . 13 1 1 A 28 28 THR HA H 28 4.079 4.042 0.037 1 1 297 . 13 1 1 A 28 28 THR CA C 28 64.762 66.544 -1.782 1 1 298 . 13 1 1 A 28 28 THR CB C 28 68.354 68.203 0.151 1 1 300 . 13 1 1 A 28 28 THR N N 28 114.032 116.542 -2.510 1 1 301 . 13 1 1 A 29 29 VAL H H 29 7.969 8.123 -0.154 1 1 302 . 13 1 1 A 29 29 VAL HA H 29 3.812 3.589 0.223 1 1 310 . 13 1 1 A 29 29 VAL CA C 29 65.572 67.229 -1.657 1 1 311 . 13 1 1 A 29 29 VAL CB C 29 31.624 31.285 0.339 1 1 314 . 13 1 1 A 29 29 VAL N N 29 122.215 121.704 0.511 1 1 315 . 13 1 1 A 30 30 LYS H H 30 7.910 8.117 -0.207 1 1 316 . 13 1 1 A 30 30 LYS HA H 30 4.175 3.998 0.177 1 1 325 . 13 1 1 A 30 30 LYS CA C 30 57.780 59.787 -2.007 1 1 326 . 13 1 1 A 30 30 LYS CB C 30 31.537 32.479 -0.942 1 1 330 . 13 1 1 A 30 30 LYS N N 30 119.387 120.540 -1.153 1 1 331 . 13 1 1 A 31 31 ILE H H 31 8.277 7.849 0.428 1 1 332 . 13 1 1 A 31 31 ILE HA H 31 3.602 3.587 0.015 1 1 342 . 13 1 1 A 31 31 ILE CA C 31 65.712 65.800 -0.088 1 1 343 . 13 1 1 A 31 31 ILE CB C 31 38.559 37.901 0.658 1 1 347 . 13 1 1 A 31 31 ILE N N 31 121.053 119.878 1.175 1 1 348 . 13 1 1 A 32 32 THR H H 32 7.896 8.423 -0.527 1 1 349 . 13 1 1 A 32 32 THR HA H 32 4.004 3.824 0.180 1 1 354 . 13 1 1 A 32 32 THR CA C 32 65.922 66.936 -1.014 1 1 355 . 13 1 1 A 32 32 THR CB C 32 68.400 68.318 0.082 1 1 357 . 13 1 1 A 32 32 THR N N 32 115.554 116.923 -1.369 1 1 358 . 13 1 1 A 33 33 GLN H H 33 8.279 8.129 0.150 1 1 359 . 13 1 1 A 33 33 GLN HA H 33 3.887 3.933 -0.046 1 1 366 . 13 1 1 A 33 33 GLN CA C 33 59.052 59.147 -0.095 1 1 367 . 13 1 1 A 33 33 GLN CB C 33 27.889 28.205 -0.316 1 1 369 . 13 1 1 A 33 33 GLN N N 33 120.920 121.671 -0.751 1 1 371 . 13 1 1 A 34 34 GLN H H 34 8.671 7.825 0.846 1 1 372 . 13 1 1 A 34 34 GLN HA H 34 3.615 4.010 -0.395 1 1 379 . 13 1 1 A 34 34 GLN CA C 34 60.424 59.002 1.422 1 1 380 . 13 1 1 A 34 34 GLN CB C 34 30.058 28.397 1.661 1 1 382 . 13 1 1 A 34 34 GLN N N 34 120.388 118.966 1.422 1 1 384 . 13 1 1 A 35 35 ASN H H 35 8.636 8.466 0.170 1 1 385 . 13 1 1 A 35 35 ASN HA H 35 4.595 4.543 0.052 1 1 390 . 13 1 1 A 35 35 ASN CA C 35 55.363 55.676 -0.313 1 1 391 . 13 1 1 A 35 35 ASN CB C 35 36.904 37.889 -0.985 1 1 392 . 13 1 1 A 35 35 ASN N N 35 116.477 118.528 -2.051 1 1 394 . 13 1 1 A 36 36 ARG H H 36 8.321 7.898 0.423 1 1 395 . 13 1 1 A 36 36 ARG HA H 36 4.142 4.021 0.121 1 1 402 . 13 1 1 A 36 36 ARG CA C 36 58.582 59.091 -0.509 1 1 403 . 13 1 1 A 36 36 ARG CB C 36 29.712 30.555 -0.843 1 1 406 . 13 1 1 A 36 36 ARG N N 36 121.347 121.501 -0.154 1 1 407 . 13 1 1 A 37 37 LEU H H 37 8.251 8.102 0.149 1 1 408 . 13 1 1 A 37 37 LEU HA H 37 3.788 3.694 0.094 1 1 418 . 13 1 1 A 37 37 LEU CA C 37 57.094 57.710 -0.616 1 1 419 . 13 1 1 A 37 37 LEU CB C 37 40.554 40.463 0.091 1 1 423 . 13 1 1 A 37 37 LEU N N 37 120.862 119.548 1.314 1 1 424 . 13 1 1 A 38 38 ASN H H 38 8.047 8.602 -0.555 1 1 425 . 13 1 1 A 38 38 ASN HA H 38 5.134 4.485 0.649 1 1 430 . 13 1 1 A 38 38 ASN CA C 38 54.413 56.937 -2.524 1 1 431 . 13 1 1 A 38 38 ASN CB C 38 38.069 39.684 -1.615 1 1 432 . 13 1 1 A 38 38 ASN N N 38 115.574 118.532 -2.958 1 1 434 . 13 1 1 A 39 39 ALA H H 39 7.878 7.879 -0.001 1 1 435 . 13 1 1 A 39 39 ALA HA H 39 4.342 4.029 0.313 1 1 439 . 13 1 1 A 39 39 ALA CA C 39 53.981 55.080 -1.099 1 1 440 . 13 1 1 A 39 39 ALA CB C 39 18.340 18.284 0.056 1 1 441 . 13 1 1 A 39 39 ALA N N 39 123.076 121.418 1.658 1 1 442 . 13 1 1 A 40 40 LYS H H 40 7.431 7.637 -0.206 1 1 443 . 13 1 1 A 40 40 LYS HA H 40 4.528 4.278 0.250 1 1 452 . 13 1 1 A 40 40 LYS CA C 40 55.285 58.321 -3.036 1 1 453 . 13 1 1 A 40 40 LYS CB C 40 32.852 32.815 0.037 1 1 457 . 13 1 1 A 40 40 LYS N N 40 114.889 115.797 -0.908 1 1 458 . 13 1 1 A 41 41 SER H H 41 7.671 7.409 0.262 1 1 459 . 13 1 1 A 41 41 SER HA H 41 4.615 4.642 -0.027 1 1 462 . 13 1 1 A 41 41 SER CA C 41 58.189 57.074 1.115 1 1 463 . 13 1 1 A 41 41 SER CB C 41 63.924 64.910 -0.986 1 1 464 . 13 1 1 A 41 41 SER N N 41 114.795 115.255 -0.460 1 1 465 . 13 1 1 A 42 42 SER H H 42 8.927 9.173 -0.246 1 1 466 . 13 1 1 A 42 42 SER HA H 42 4.792 4.177 0.615 1 1 469 . 13 1 1 A 42 42 SER CA C 42 58.133 61.252 -3.119 1 1 470 . 13 1 1 A 42 42 SER CB C 42 63.712 63.337 0.375 1 1 471 . 13 1 1 A 42 42 SER N N 42 120.934 123.417 -2.483 1 1 472 . 13 1 1 A 43 43 SER H H 43 8.320 8.023 0.297 1 1 473 . 13 1 1 A 43 43 SER HA H 43 4.654 4.529 0.125 1 1 476 . 13 1 1 A 43 43 SER CA C 43 57.309 60.109 -2.800 1 1 477 . 13 1 1 A 43 43 SER CB C 43 63.151 63.953 -0.802 1 1 478 . 13 1 1 A 43 43 SER N N 43 115.966 116.526 -0.560 1 1 479 . 13 1 1 A 44 44 GLY H H 44 8.182 7.857 0.325 1 1 480 . 13 1 1 A 44 44 GLY HA2 H 44 4.206 4.137 0.069 1 1 481 . 13 1 1 A 44 44 GLY HA3 H 44 4.399 4.155 0.244 1 1 482 . 13 1 1 A 44 44 GLY CA C 44 44.540 44.593 -0.053 1 1 483 . 13 1 1 A 44 44 GLY N N 44 110.764 108.880 1.884 1 1 484 . 13 1 1 A 45 45 VAL H H 45 8.341 8.258 0.083 1 1 485 . 13 1 1 A 45 45 VAL HA H 45 4.845 5.105 -0.260 1 1 493 . 13 1 1 A 45 45 VAL CA C 45 58.981 59.358 -0.377 1 1 494 . 13 1 1 A 45 45 VAL CB C 45 35.239 35.628 -0.389 1 1 497 . 13 1 1 A 45 45 VAL N N 45 114.116 116.134 -2.018 1 1 498 . 13 1 1 A 46 46 TYR H H 46 10.501 9.088 1.413 1 1 499 . 13 1 1 A 46 46 TYR HA H 46 5.004 5.112 -0.108 1 1 506 . 13 1 1 A 46 46 TYR CA C 46 58.121 57.096 1.025 1 1 507 . 13 1 1 A 46 46 TYR CB C 46 41.382 38.326 3.056 1 1 510 . 13 1 1 A 46 46 TYR N N 46 123.384 122.982 0.402 1 1 511 . 13 1 1 A 47 47 LEU H H 47 9.364 9.123 0.241 1 1 512 . 13 1 1 A 47 47 LEU HA H 47 4.695 4.775 -0.080 1 1 522 . 13 1 1 A 47 47 LEU CA C 47 52.769 54.122 -1.353 1 1 523 . 13 1 1 A 47 47 LEU CB C 47 44.689 41.668 3.021 1 1 527 . 13 1 1 A 47 47 LEU N N 47 118.822 126.634 -7.812 1 1 528 . 13 1 1 A 48 48 LEU H H 48 9.128 9.179 -0.051 1 1 529 . 13 1 1 A 48 48 LEU HA H 48 5.232 4.887 0.345 1 1 539 . 13 1 1 A 48 48 LEU CA C 48 51.100 51.728 -0.628 1 1 540 . 13 1 1 A 48 48 LEU CB C 48 40.141 41.986 -1.845 1 1 544 . 13 1 1 A 48 48 LEU N N 48 123.384 126.480 -3.096 1 1 545 . 13 1 1 A 49 49 PRO HA H 49 4.090 4.382 -0.292 1 1 552 . 13 1 1 A 49 49 PRO CA C 49 64.912 63.999 0.913 1 1 553 . 13 1 1 A 49 49 PRO CB C 49 31.607 31.436 0.171 1 1 556 . 13 1 1 A 50 50 GLY H H 50 9.181 8.384 0.797 1 1 557 . 13 1 1 A 50 50 GLY HA2 H 50 3.933 3.965 -0.032 1 1 558 . 13 1 1 A 50 50 GLY HA3 H 50 4.757 3.970 0.787 1 1 559 . 13 1 1 A 50 50 GLY CA C 50 45.499 45.057 0.442 1 1 560 . 13 1 1 A 50 50 GLY N N 50 106.827 106.553 0.274 1 1 561 . 13 1 1 A 51 51 ALA H H 51 7.857 7.884 -0.027 1 1 562 . 13 1 1 A 51 51 ALA HA H 51 4.264 4.385 -0.121 1 1 566 . 13 1 1 A 51 51 ALA CA C 51 53.156 50.623 2.533 1 1 567 . 13 1 1 A 51 51 ALA CB C 51 18.492 20.398 -1.906 1 1 568 . 13 1 1 A 51 51 ALA N N 51 120.192 124.132 -3.940 1 1 569 . 13 1 1 A 52 52 LYS H H 52 7.787 8.609 -0.822 1 1 570 . 13 1 1 A 52 52 LYS HA H 52 4.094 4.227 -0.133 1 1 579 . 13 1 1 A 52 52 LYS CA C 52 56.979 57.496 -0.517 1 1 580 . 13 1 1 A 52 52 LYS CB C 52 30.731 31.660 -0.929 1 1 584 . 13 1 1 A 52 52 LYS N N 52 115.260 120.257 -4.997 1 1 585 . 13 1 1 A 53 53 THR H H 53 8.043 7.328 0.715 1 1 586 . 13 1 1 A 53 53 THR HA H 53 4.924 4.814 0.110 1 1 591 . 13 1 1 A 53 53 THR CA C 53 59.565 58.770 0.795 1 1 592 . 13 1 1 A 53 53 THR CB C 53 72.729 69.743 2.986 1 1 594 . 13 1 1 A 53 53 THR N N 53 114.085 109.780 4.305 1 1 595 . 13 1 1 A 54 54 PRO HA H 54 4.860 4.806 0.054 1 1 602 . 13 1 1 A 54 54 PRO CA C 54 62.176 62.313 -0.137 1 1 603 . 13 1 1 A 54 54 PRO CB C 54 32.820 32.839 -0.019 1 1 606 . 13 1 1 A 55 55 ALA H H 55 8.834 8.474 0.360 1 1 607 . 13 1 1 A 55 55 ALA HA H 55 4.824 4.998 -0.174 1 1 611 . 13 1 1 A 55 55 ALA CA C 55 50.500 51.007 -0.507 1 1 612 . 13 1 1 A 55 55 ALA CB C 55 22.858 22.698 0.160 1 1 613 . 13 1 1 A 55 55 ALA N N 55 122.227 121.415 0.812 1 1 614 . 13 1 1 A 56 56 ARG H H 56 8.445 8.774 -0.329 1 1 615 . 13 1 1 A 56 56 ARG HA H 56 5.262 4.877 0.385 1 1 623 . 13 1 1 A 56 56 ARG CA C 56 54.401 55.134 -0.733 1 1 624 . 13 1 1 A 56 56 ARG CB C 56 32.849 31.799 1.050 1 1 627 . 13 1 1 A 56 56 ARG N N 56 121.194 123.517 -2.323 1 1 629 . 13 1 1 A 57 57 LEU H H 57 9.159 9.065 0.094 1 1 630 . 13 1 1 A 57 57 LEU HA H 57 4.672 5.337 -0.665 1 1 640 . 13 1 1 A 57 57 LEU CA C 57 53.028 52.485 0.543 1 1 641 . 13 1 1 A 57 57 LEU CB C 57 46.231 45.807 0.424 1 1 645 . 13 1 1 A 57 57 LEU N N 57 125.694 122.742 2.952 1 1 646 . 13 1 1 A 58 58 GLU H H 58 8.890 8.782 0.108 1 1 647 . 13 1 1 A 58 58 GLU HA H 58 4.535 4.663 -0.128 1 1 652 . 13 1 1 A 58 58 GLU CA C 58 55.733 55.099 0.634 1 1 653 . 13 1 1 A 58 58 GLU CB C 58 27.970 30.789 -2.819 1 1 655 . 13 1 1 A 58 58 GLU N N 58 127.677 121.076 6.601 1 1 656 . 13 1 1 A 59 59 SER H H 59 7.772 9.122 -1.350 1 1 657 . 13 1 1 A 59 59 SER HA H 59 4.970 4.971 -0.001 1 1 661 . 13 1 1 A 59 59 SER CA C 59 57.576 56.408 1.168 1 1 662 . 13 1 1 A 59 59 SER CB C 59 69.174 66.284 2.890 1 1 663 . 13 1 1 A 59 59 SER N N 59 121.860 120.522 1.338 1 1 664 . 13 1 1 A 60 60 GLN H H 60 9.336 8.600 0.736 1 1 665 . 13 1 1 A 60 60 GLN HA H 60 4.262 4.308 -0.046 1 1 672 . 13 1 1 A 60 60 GLN CA C 60 57.792 57.817 -0.025 1 1 673 . 13 1 1 A 60 60 GLN CB C 60 29.669 28.358 1.311 1 1 675 . 13 1 1 A 60 60 GLN N N 60 119.522 118.324 1.198 1 1 677 . 13 1 1 A 61 61 ILE H H 61 8.007 7.376 0.631 1 1 678 . 13 1 1 A 61 61 ILE HA H 61 4.623 4.384 0.239 1 1 688 . 13 1 1 A 61 61 ILE CA C 61 59.813 60.805 -0.992 1 1 689 . 13 1 1 A 61 61 ILE CB C 61 37.013 39.466 -2.453 1 1 693 . 13 1 1 A 61 61 ILE N N 61 109.398 112.282 -2.884 1 1 694 . 13 1 1 A 62 62 GLY H H 62 7.223 6.758 0.465 1 1 695 . 13 1 1 A 62 62 GLY HA2 H 62 4.493 4.065 0.428 1 1 696 . 13 1 1 A 62 62 GLY HA3 H 62 3.872 4.076 -0.204 1 1 697 . 13 1 1 A 62 62 GLY CA C 62 43.022 44.237 -1.215 1 1 698 . 13 1 1 A 62 62 GLY N N 62 109.035 109.413 -0.378 1 1 699 . 13 1 1 A 63 63 THR H H 63 8.910 8.228 0.682 1 1 700 . 13 1 1 A 63 63 THR HA H 63 4.599 4.887 -0.288 1 1 705 . 13 1 1 A 63 63 THR CA C 63 64.037 61.766 2.271 1 1 706 . 13 1 1 A 63 63 THR CB C 63 68.111 70.056 -1.945 1 1 708 . 13 1 1 A 63 63 THR N N 63 119.711 113.008 6.703 1 1 709 . 13 1 1 A 64 64 LEU H H 64 9.070 8.735 0.335 1 1 710 . 13 1 1 A 64 64 LEU HA H 64 5.120 5.269 -0.149 1 1 720 . 13 1 1 A 64 64 LEU CA C 64 52.680 52.983 -0.303 1 1 721 . 13 1 1 A 64 64 LEU CB C 64 44.749 45.685 -0.936 1 1 725 . 13 1 1 A 64 64 LEU N N 64 127.640 123.078 4.562 1 1 726 . 13 1 1 A 65 65 ARG H H 65 9.271 9.468 -0.197 1 1 727 . 13 1 1 A 65 65 ARG HA H 65 4.989 5.178 -0.189 1 1 735 . 13 1 1 A 65 65 ARG CA C 65 54.814 54.968 -0.154 1 1 736 . 13 1 1 A 65 65 ARG CB C 65 31.836 31.816 0.020 1 1 739 . 13 1 1 A 65 65 ARG N N 65 122.680 122.603 0.077 1 1 741 . 13 1 1 A 66 66 MET H H 66 9.310 9.325 -0.015 1 1 742 . 13 1 1 A 66 66 MET HA H 66 5.822 5.752 0.070 1 1 747 . 13 1 1 A 66 66 MET CA C 66 53.936 54.063 -0.127 1 1 748 . 13 1 1 A 66 66 MET CB C 66 35.912 36.039 -0.127 1 1 750 . 13 1 1 A 66 66 MET N N 66 125.309 126.485 -1.176 1 1 751 . 13 1 1 A 67 67 SER H H 67 8.943 8.910 0.033 1 1 752 . 13 1 1 A 67 67 SER HA H 67 4.660 4.926 -0.266 1 1 755 . 13 1 1 A 67 67 SER CA C 67 57.460 57.039 0.421 1 1 756 . 13 1 1 A 67 67 SER CB C 67 65.747 64.888 0.859 1 1 757 . 13 1 1 A 67 67 SER N N 67 112.115 115.835 -3.720 1 1 758 . 13 1 1 A 68 68 LEU H H 68 8.410 8.924 -0.514 1 1 759 . 13 1 1 A 68 68 LEU HA H 68 5.115 5.037 0.078 1 1 769 . 13 1 1 A 68 68 LEU CA C 68 52.837 53.528 -0.691 1 1 770 . 13 1 1 A 68 68 LEU CB C 68 42.269 42.759 -0.490 1 1 774 . 13 1 1 A 68 68 LEU N N 68 118.367 124.144 -5.777 1 1 775 . 13 1 1 A 69 69 VAL H H 69 9.060 8.619 0.441 1 1 776 . 13 1 1 A 69 69 VAL HA H 69 4.440 4.575 -0.135 1 1 784 . 13 1 1 A 69 69 VAL CA C 69 59.852 59.718 0.134 1 1 785 . 13 1 1 A 69 69 VAL CB C 69 35.349 34.717 0.632 1 1 788 . 13 1 1 A 69 69 VAL N N 69 119.888 119.542 0.346 1 1 789 . 13 1 1 A 70 70 ASN H H 70 8.651 8.753 -0.102 1 1 790 . 13 1 1 A 70 70 ASN HA H 70 4.345 4.225 0.120 1 1 795 . 13 1 1 A 70 70 ASN CA C 70 53.555 54.039 -0.484 1 1 796 . 13 1 1 A 70 70 ASN CB C 70 36.932 36.949 -0.017 1 1 797 . 13 1 1 A 70 70 ASN N N 70 119.166 117.613 1.553 1 1 799 . 13 1 1 A 71 71 ILE H H 71 8.449 8.020 0.429 1 1 800 . 13 1 1 A 71 71 ILE HA H 71 4.235 4.104 0.131 1 1 810 . 13 1 1 A 71 71 ILE CA C 71 63.104 61.782 1.322 1 1 811 . 13 1 1 A 71 71 ILE CB C 71 37.200 37.094 0.106 1 1 815 . 13 1 1 A 71 71 ILE N N 71 121.388 119.611 1.777 1 1 816 . 13 1 1 A 72 72 THR H H 72 9.511 8.751 0.760 1 1 817 . 13 1 1 A 72 72 THR HA H 72 4.967 5.126 -0.159 1 1 822 . 13 1 1 A 72 72 THR CA C 72 59.584 58.407 1.177 1 1 823 . 13 1 1 A 72 72 THR CB C 72 71.930 70.597 1.333 1 1 825 . 13 1 1 A 72 72 THR N N 72 125.726 118.098 7.628 1 1 826 . 13 1 1 A 73 73 PRO HA H 73 4.822 4.567 0.255 1 1 833 . 13 1 1 A 73 73 PRO CA C 73 63.362 62.895 0.467 1 1 834 . 13 1 1 A 73 73 PRO CB C 73 32.451 32.459 -0.008 1 1 837 . 13 1 1 A 74 74 ASP H H 74 8.404 8.906 -0.502 1 1 838 . 13 1 1 A 74 74 ASP HA H 74 4.824 5.006 -0.182 1 1 841 . 13 1 1 A 74 74 ASP CA C 74 52.609 52.475 0.134 1 1 842 . 13 1 1 A 74 74 ASP CB C 74 43.743 43.768 -0.025 1 1 843 . 13 1 1 A 74 74 ASP N N 74 122.325 122.091 0.234 1 1 844 . 13 1 1 A 75 75 ALA H H 75 8.539 8.786 -0.247 1 1 845 . 13 1 1 A 75 75 ALA HA H 75 4.062 4.060 0.002 1 1 849 . 13 1 1 A 75 75 ALA CA C 75 54.431 55.714 -1.283 1 1 850 . 13 1 1 A 75 75 ALA CB C 75 18.117 18.236 -0.119 1 1 851 . 13 1 1 A 75 75 ALA N N 75 123.501 125.806 -2.305 1 1 852 . 13 1 1 A 76 76 ASP H H 76 8.356 7.899 0.457 1 1 853 . 13 1 1 A 76 76 ASP HA H 76 4.815 4.440 0.375 1 1 856 . 13 1 1 A 76 76 ASP CA C 76 53.161 56.318 -3.157 1 1 857 . 13 1 1 A 76 76 ASP CB C 76 41.234 41.664 -0.430 1 1 858 . 13 1 1 A 76 76 ASP N N 76 115.326 118.579 -3.253 1 1 859 . 13 1 1 A 77 77 GLY H H 77 7.569 7.340 0.229 1 1 860 . 13 1 1 A 77 77 GLY HA2 H 77 3.925 4.023 -0.098 1 1 861 . 13 1 1 A 77 77 GLY HA3 H 77 4.508 4.046 0.462 1 1 862 . 13 1 1 A 77 77 GLY CA C 77 46.675 45.497 1.178 1 1 863 . 13 1 1 A 77 77 GLY N N 77 109.452 106.191 3.261 1 1 864 . 13 1 1 A 78 78 THR H H 78 8.272 8.408 -0.136 1 1 865 . 13 1 1 A 78 78 THR HA H 78 4.655 5.027 -0.372 1 1 870 . 13 1 1 A 78 78 THR CA C 78 63.204 61.057 2.147 1 1 871 . 13 1 1 A 78 78 THR CB C 78 72.222 72.328 -0.106 1 1 873 . 13 1 1 A 78 78 THR N N 78 122.442 114.952 7.490 1 1 874 . 13 1 1 A 79 79 THR H H 79 9.027 9.048 -0.021 1 1 875 . 13 1 1 A 79 79 THR HA H 79 5.164 5.728 -0.564 1 1 880 . 13 1 1 A 79 79 THR CA C 79 60.303 60.451 -0.148 1 1 881 . 13 1 1 A 79 79 THR CB C 79 70.442 70.496 -0.054 1 1 883 . 13 1 1 A 79 79 THR N N 79 121.451 117.668 3.783 1 1 884 . 13 1 1 A 80 80 LEU H H 80 8.698 9.101 -0.403 1 1 885 . 13 1 1 A 80 80 LEU HA H 80 4.835 5.292 -0.457 1 1 895 . 13 1 1 A 80 80 LEU CA C 80 54.194 53.122 1.072 1 1 896 . 13 1 1 A 80 80 LEU CB C 80 44.576 46.115 -1.539 1 1 900 . 13 1 1 A 80 80 LEU N N 80 119.374 123.644 -4.270 1 1 901 . 13 1 1 A 81 81 THR H H 81 8.675 8.735 -0.060 1 1 902 . 13 1 1 A 81 81 THR HA H 81 4.740 4.807 -0.067 1 1 907 . 13 1 1 A 81 81 THR CA C 81 61.838 62.331 -0.493 1 1 908 . 13 1 1 A 81 81 THR CB C 81 70.190 69.691 0.499 1 1 910 . 13 1 1 A 81 81 THR N N 81 116.982 115.353 1.629 1 1 911 . 13 1 1 A 82 82 LEU H H 82 8.898 9.175 -0.277 1 1 912 . 13 1 1 A 82 82 LEU HA H 82 4.748 5.077 -0.329 1 1 922 . 13 1 1 A 82 82 LEU CA C 82 53.076 54.044 -0.968 1 1 923 . 13 1 1 A 82 82 LEU CB C 82 43.189 43.610 -0.421 1 1 927 . 13 1 1 A 82 82 LEU N N 82 130.905 130.194 0.711 1 1 928 . 13 1 1 A 83 83 ARG H H 83 9.162 8.890 0.272 1 1 929 . 13 1 1 A 83 83 ARG HA H 83 5.174 4.979 0.195 1 1 936 . 13 1 1 A 83 83 ARG CA C 83 54.441 55.219 -0.778 1 1 937 . 13 1 1 A 83 83 ARG CB C 83 31.332 31.054 0.278 1 1 940 . 13 1 1 A 83 83 ARG N N 83 131.064 126.360 4.704 1 1 941 . 13 1 1 A 84 84 ILE H H 84 9.474 9.208 0.266 1 1 942 . 13 1 1 A 84 84 ILE HA H 84 4.611 4.996 -0.385 1 1 952 . 13 1 1 A 84 84 ILE CA C 84 60.486 59.848 0.638 1 1 953 . 13 1 1 A 84 84 ILE CB C 84 40.120 39.705 0.415 1 1 957 . 13 1 1 A 84 84 ILE N N 84 128.394 125.950 2.444 1 1 958 . 13 1 1 A 85 85 GLN H H 85 9.137 8.453 0.684 1 1 959 . 13 1 1 A 85 85 GLN HA H 85 5.457 4.864 0.593 1 1 966 . 13 1 1 A 85 85 GLN CA C 85 53.109 54.770 -1.661 1 1 967 . 13 1 1 A 85 85 GLN CB C 85 32.450 30.955 1.495 1 1 969 . 13 1 1 A 85 85 GLN N N 85 124.857 124.457 0.400 1 1 971 . 13 1 1 A 86 86 GLY H H 86 9.090 8.932 0.158 1 1 972 . 13 1 1 A 86 86 GLY HA2 H 86 3.813 3.822 -0.009 1 1 973 . 13 1 1 A 86 86 GLY HA3 H 86 4.499 3.839 0.660 1 1 974 . 13 1 1 A 86 86 GLY CA C 86 44.877 45.540 -0.663 1 1 975 . 13 1 1 A 86 86 GLY N N 86 110.702 114.544 -3.842 1 1 976 . 13 1 1 A 87 87 GLU H H 87 8.128 8.410 -0.282 1 1 977 . 13 1 1 A 87 87 GLU HA H 87 4.472 4.186 0.286 1 1 982 . 13 1 1 A 87 87 GLU CA C 87 56.057 58.721 -2.664 1 1 983 . 13 1 1 A 87 87 GLU CB C 87 29.943 29.360 0.583 1 1 985 . 13 1 1 A 87 87 GLU N N 87 120.445 118.000 2.445 1 1 986 . 13 1 1 A 88 88 SER H H 88 8.063 8.473 -0.410 1 1 987 . 13 1 1 A 88 88 SER HA H 88 4.469 4.382 0.087 1 1 990 . 13 1 1 A 88 88 SER CA C 88 57.472 59.939 -2.467 1 1 991 . 13 1 1 A 88 88 SER CB C 88 63.799 63.954 -0.155 1 1 992 . 13 1 1 A 88 88 SER N N 88 113.821 115.971 -2.150 1 1 993 . 13 1 1 A 89 89 ASN H H 89 8.502 8.844 -0.342 1 1 994 . 13 1 1 A 89 89 ASN HA H 89 4.533 4.608 -0.075 1 1 999 . 13 1 1 A 89 89 ASN CA C 89 53.715 55.298 -1.583 1 1 1000 . 13 1 1 A 89 89 ASN CB C 89 38.212 38.724 -0.512 1 1 1001 . 13 1 1 A 89 89 ASN N N 89 119.482 122.128 -2.646 1 1 1003 . 13 1 1 A 90 90 ASP H H 90 8.104 7.769 0.335 1 1 1004 . 13 1 1 A 90 90 ASP HA H 90 5.061 4.706 0.355 1 1 1007 . 13 1 1 A 90 90 ASP CA C 90 51.392 52.829 -1.437 1 1 1008 . 13 1 1 A 90 90 ASP CB C 90 41.223 40.605 0.618 1 1 1009 . 13 1 1 A 90 90 ASP N N 90 119.891 120.453 -0.562 1 1 1010 . 13 1 1 A 91 91 PRO HA H 91 4.156 4.813 -0.657 1 1 1017 . 13 1 1 A 91 91 PRO CA C 91 62.200 63.113 -0.913 1 1 1018 . 13 1 1 A 91 91 PRO CB C 91 30.844 31.807 -0.963 1 1 1021 . 13 1 1 A 92 92 LEU H H 92 8.206 8.648 -0.442 1 1 1022 . 13 1 1 A 92 92 LEU HA H 92 4.504 4.727 -0.223 1 1 1032 . 13 1 1 A 92 92 LEU CA C 92 52.697 52.789 -0.092 1 1 1033 . 13 1 1 A 92 92 LEU CB C 92 41.249 41.315 -0.066 1 1 1037 . 13 1 1 A 92 92 LEU N N 92 123.954 123.783 0.171 1 1 1038 . 13 1 1 A 93 93 PRO HA H 93 4.808 4.647 0.161 1 1 1045 . 13 1 1 A 93 93 PRO CA C 93 61.122 62.404 -1.282 1 1 1046 . 13 1 1 A 93 93 PRO CB C 93 32.289 32.488 -0.199 1 1 1049 . 13 1 1 A 94 94 ALA H H 94 8.420 8.385 0.035 1 1 1050 . 13 1 1 A 94 94 ALA HA H 94 4.164 4.373 -0.209 1 1 1054 . 13 1 1 A 94 94 ALA CA C 94 52.655 52.486 0.169 1 1 1055 . 13 1 1 A 94 94 ALA CB C 94 18.563 19.819 -1.256 1 1 1056 . 13 1 1 A 94 94 ALA N N 94 120.368 123.125 -2.757 1 1 1057 . 13 1 1 A 95 95 PHE H H 95 7.961 7.705 0.256 1 1 1058 . 13 1 1 A 95 95 PHE HA H 95 5.489 5.538 -0.049 1 1 1066 . 13 1 1 A 95 95 PHE CA C 95 56.213 55.946 0.267 1 1 1067 . 13 1 1 A 95 95 PHE CB C 95 41.552 41.818 -0.266 1 1 1071 . 13 1 1 A 95 95 PHE N N 95 115.209 115.807 -0.598 1 1 1072 . 13 1 1 A 96 96 SER H H 96 9.231 9.220 0.011 1 1 1073 . 13 1 1 A 96 96 SER HA H 96 5.427 5.607 -0.180 1 1 1076 . 13 1 1 A 96 96 SER CA C 96 55.549 56.196 -0.647 1 1 1077 . 13 1 1 A 96 96 SER CB C 96 66.681 66.013 0.668 1 1 1078 . 13 1 1 A 96 96 SER N N 96 114.106 114.405 -0.299 1 1 1079 . 13 1 1 A 97 97 GLY H H 97 8.269 8.172 0.097 1 1 1080 . 13 1 1 A 97 97 GLY HA2 H 97 4.612 4.205 0.407 1 1 1081 . 13 1 1 A 97 97 GLY HA3 H 97 3.571 4.223 -0.652 1 1 1082 . 13 1 1 A 97 97 GLY CA C 97 45.139 45.594 -0.455 1 1 1083 . 13 1 1 A 97 97 GLY N N 97 104.730 107.235 -2.505 1 1 1084 . 13 1 1 A 98 98 THR H H 98 8.068 8.397 -0.329 1 1 1085 . 13 1 1 A 98 98 THR HA H 98 4.836 4.728 0.108 1 1 1090 . 13 1 1 A 98 98 THR CA C 98 62.462 62.131 0.331 1 1 1091 . 13 1 1 A 98 98 THR CB C 98 70.240 69.378 0.862 1 1 1093 . 13 1 1 A 98 98 THR N N 98 115.596 115.675 -0.079 1 1 1094 . 13 1 1 A 99 99 VAL H H 99 9.016 9.338 -0.322 1 1 1095 . 13 1 1 A 99 99 VAL HA H 99 5.040 5.189 -0.149 1 1 1103 . 13 1 1 A 99 99 VAL CA C 99 59.695 60.547 -0.852 1 1 1104 . 13 1 1 A 99 99 VAL CB C 99 33.810 33.695 0.115 1 1 1107 . 13 1 1 A 99 99 VAL N N 99 124.571 123.135 1.436 1 1 1108 . 13 1 1 A 100 100 GLU H H 100 9.595 9.195 0.400 1 1 1109 . 13 1 1 A 100 100 GLU HA H 100 5.463 4.737 0.726 1 1 1114 . 13 1 1 A 100 100 GLU CA C 100 53.132 55.489 -2.357 1 1 1115 . 13 1 1 A 100 100 GLU CB C 100 31.806 30.274 1.532 1 1 1117 . 13 1 1 A 100 100 GLU N N 100 125.607 127.429 -1.822 1 1 1118 . 13 1 1 A 101 101 TYR H H 101 8.576 8.496 0.080 1 1 1119 . 13 1 1 A 101 101 TYR HA H 101 4.568 5.571 -1.003 1 1 1126 . 13 1 1 A 101 101 TYR CA C 101 54.809 54.871 -0.062 1 1 1127 . 13 1 1 A 101 101 TYR CB C 101 39.516 41.666 -2.150 1 1 1130 . 13 1 1 A 101 101 TYR N N 101 117.224 122.423 -5.199 1 1 1131 . 13 1 1 A 102 102 GLY H H 102 6.489 7.536 -1.047 1 1 1132 . 13 1 1 A 102 102 GLY HA2 H 102 3.948 4.151 -0.203 1 1 1133 . 13 1 1 A 102 102 GLY HA3 H 102 4.190 4.208 -0.018 1 1 1134 . 13 1 1 A 102 102 GLY CA C 102 46.509 46.041 0.468 1 1 1135 . 13 1 1 A 102 102 GLY N N 102 103.890 106.071 -2.181 1 1 1136 . 13 1 1 A 103 103 GLN H H 103 8.789 8.752 0.037 1 1 1137 . 13 1 1 A 103 103 GLN HA H 103 4.893 5.040 -0.147 1 1 1144 . 13 1 1 A 103 103 GLN CA C 103 54.742 54.702 0.040 1 1 1145 . 13 1 1 A 103 103 GLN CB C 103 31.972 31.490 0.482 1 1 1147 . 13 1 1 A 103 103 GLN N N 103 121.055 119.903 1.152 1 1 1149 . 13 1 1 A 104 104 ILE H H 104 8.877 8.703 0.174 1 1 1150 . 13 1 1 A 104 104 ILE HA H 104 5.033 5.255 -0.222 1 1 1160 . 13 1 1 A 104 104 ILE CA C 104 59.495 59.532 -0.037 1 1 1161 . 13 1 1 A 104 104 ILE CB C 104 40.485 40.546 -0.061 1 1 1165 . 13 1 1 A 104 104 ILE N N 104 119.483 120.951 -1.468 1 1 1166 . 13 1 1 A 105 105 GLN H H 105 8.807 8.822 -0.015 1 1 1167 . 13 1 1 A 105 105 GLN HA H 105 4.785 5.186 -0.401 1 1 1174 . 13 1 1 A 105 105 GLN CA C 105 53.586 54.741 -1.155 1 1 1175 . 13 1 1 A 105 105 GLN CB C 105 32.029 30.918 1.111 1 1 1177 . 13 1 1 A 105 105 GLN N N 105 126.014 123.787 2.227 1 1 1179 . 13 1 1 A 106 106 GLY H H 106 8.680 8.531 0.149 1 1 1180 . 13 1 1 A 106 106 GLY HA2 H 106 4.878 4.235 0.643 1 1 1181 . 13 1 1 A 106 106 GLY HA3 H 106 3.898 4.260 -0.362 1 1 1182 . 13 1 1 A 106 106 GLY CA C 106 43.994 45.417 -1.423 1 1 1183 . 13 1 1 A 106 106 GLY N N 106 111.899 108.198 3.701 1 1 1184 . 13 1 1 A 107 107 THR H H 107 7.984 8.536 -0.552 1 1 1185 . 13 1 1 A 107 107 THR HA H 107 4.571 4.816 -0.245 1 1 1190 . 13 1 1 A 107 107 THR CA C 107 59.611 60.117 -0.506 1 1 1191 . 13 1 1 A 107 107 THR CB C 107 71.146 71.922 -0.776 1 1 1193 . 13 1 1 A 107 107 THR N N 107 111.498 111.332 0.166 1 1 1194 . 13 1 1 A 108 108 ILE H H 108 8.345 8.973 -0.628 1 1 1195 . 13 1 1 A 108 108 ILE HA H 108 3.775 3.663 0.112 1 1 1205 . 13 1 1 A 108 108 ILE CA C 108 62.916 64.329 -1.413 1 1 1206 . 13 1 1 A 108 108 ILE CB C 108 37.737 37.345 0.392 1 1 1210 . 13 1 1 A 108 108 ILE N N 108 117.576 121.977 -4.401 1 1 1211 . 13 1 1 A 109 109 ASP H H 109 7.753 7.490 0.263 1 1 1212 . 13 1 1 A 109 109 ASP HA H 109 4.564 4.531 0.033 1 1 1215 . 13 1 1 A 109 109 ASP CA C 109 54.540 56.704 -2.164 1 1 1216 . 13 1 1 A 109 109 ASP CB C 109 41.360 41.649 -0.289 1 1 1217 . 13 1 1 A 109 109 ASP N N 109 116.045 121.614 -5.569 1 1 1218 . 13 1 1 A 110 110 ASN H H 110 7.719 7.998 -0.279 1 1 1219 . 13 1 1 A 110 110 ASN HA H 110 4.723 4.926 -0.203 1 1 1224 . 13 1 1 A 110 110 ASN CA C 110 53.036 52.119 0.917 1 1 1225 . 13 1 1 A 110 110 ASN CB C 110 38.443 38.934 -0.491 1 1 1226 . 13 1 1 A 110 110 ASN N N 110 119.075 114.208 4.867 1 1 1228 . 13 1 1 A 111 111 PHE H H 111 7.977 8.475 -0.498 1 1 1229 . 13 1 1 A 111 111 PHE HA H 111 5.249 5.571 -0.322 1 1 1237 . 13 1 1 A 111 111 PHE CA C 111 56.627 55.344 1.283 1 1 1238 . 13 1 1 A 111 111 PHE CB C 111 40.215 41.136 -0.921 1 1 1242 . 13 1 1 A 111 111 PHE N N 111 122.138 119.277 2.861 1 1 1243 . 13 1 1 A 112 112 GLN H H 112 8.715 8.814 -0.099 1 1 1244 . 13 1 1 A 112 112 GLN HA H 112 4.540 4.619 -0.079 1 1 1251 . 13 1 1 A 112 112 GLN CA C 112 54.035 55.357 -1.322 1 1 1252 . 13 1 1 A 112 112 GLN CB C 112 31.861 29.446 2.415 1 1 1254 . 13 1 1 A 112 112 GLN N N 112 119.575 123.800 -4.225 1 1 1256 . 13 1 1 A 113 113 GLU H H 113 8.546 8.701 -0.155 1 1 1257 . 13 1 1 A 113 113 GLU HA H 113 4.780 4.723 0.057 1 1 1262 . 13 1 1 A 113 113 GLU CA C 113 55.412 56.472 -1.060 1 1 1263 . 13 1 1 A 113 113 GLU CB C 113 29.886 30.114 -0.228 1 1 1265 . 13 1 1 A 113 113 GLU N N 113 122.846 124.366 -1.520 1 1 1266 . 13 1 1 A 114 114 ILE H H 114 8.913 8.604 0.309 1 1 1267 . 13 1 1 A 114 114 ILE HA H 114 4.662 4.635 0.027 1 1 1277 . 13 1 1 A 114 114 ILE CA C 114 59.144 59.380 -0.236 1 1 1278 . 13 1 1 A 114 114 ILE CB C 114 41.873 40.648 1.225 1 1 1282 . 13 1 1 A 114 114 ILE N N 114 120.222 120.287 -0.065 1 1 1283 . 13 1 1 A 115 115 ASN H H 115 8.916 8.783 0.133 1 1 1284 . 13 1 1 A 115 115 ASN HA H 115 4.340 4.193 0.147 1 1 1289 . 13 1 1 A 115 115 ASN CA C 115 53.444 54.140 -0.696 1 1 1290 . 13 1 1 A 115 115 ASN CB C 115 36.467 37.196 -0.729 1 1 1291 . 13 1 1 A 115 115 ASN N N 115 120.916 118.853 2.063 1 1 1293 . 13 1 1 A 116 116 VAL H H 116 8.044 7.920 0.124 1 1 1294 . 13 1 1 A 116 116 VAL HA H 116 4.389 4.553 -0.164 1 1 1302 . 13 1 1 A 116 116 VAL CA C 116 63.183 60.896 2.287 1 1 1303 . 13 1 1 A 116 116 VAL CB C 116 32.216 33.216 -1.000 1 1 1306 . 13 1 1 A 116 116 VAL N N 116 117.046 118.541 -1.495 1 1 1307 . 13 1 1 A 117 117 GLN H H 117 8.582 8.688 -0.106 1 1 1308 . 13 1 1 A 117 117 GLN HA H 117 4.550 4.842 -0.292 1 1 1315 . 13 1 1 A 117 117 GLN CA C 117 53.827 53.164 0.663 1 1 1316 . 13 1 1 A 117 117 GLN CB C 117 33.119 32.114 1.005 1 1 1318 . 13 1 1 A 117 117 GLN N N 117 127.086 125.988 1.098 1 1 1320 . 13 1 1 A 118 118 ASN H H 118 8.330 8.584 -0.254 1 1 1321 . 13 1 1 A 118 118 ASN HA H 118 5.845 5.713 0.132 1 1 1326 . 13 1 1 A 118 118 ASN CA C 118 51.736 51.699 0.037 1 1 1327 . 13 1 1 A 118 118 ASN CB C 118 42.644 40.494 2.150 1 1 1328 . 13 1 1 A 118 118 ASN N N 118 113.251 118.791 -5.540 1 1 1330 . 13 1 1 A 119 119 GLN H H 119 9.187 9.052 0.135 1 1 1331 . 13 1 1 A 119 119 GLN HA H 119 4.693 5.102 -0.409 1 1 1338 . 13 1 1 A 119 119 GLN CA C 119 55.160 54.307 0.853 1 1 1339 . 13 1 1 A 119 119 GLN CB C 119 34.157 32.714 1.443 1 1 1341 . 13 1 1 A 119 119 GLN N N 119 116.799 119.685 -2.886 1 1 1343 . 13 1 1 A 120 120 LEU H H 120 8.544 8.990 -0.446 1 1 1344 . 13 1 1 A 120 120 LEU HA H 120 5.059 5.175 -0.116 1 1 1354 . 13 1 1 A 120 120 LEU CA C 120 54.327 53.514 0.813 1 1 1355 . 13 1 1 A 120 120 LEU CB C 120 42.839 42.937 -0.098 1 1 1359 . 13 1 1 A 120 120 LEU N N 120 123.292 126.756 -3.464 1 1 1360 . 13 1 1 A 121 121 ILE H H 121 8.657 9.067 -0.410 1 1 1361 . 13 1 1 A 121 121 ILE HA H 121 4.778 4.961 -0.183 1 1 1371 . 13 1 1 A 121 121 ILE CA C 121 58.770 59.189 -0.419 1 1 1372 . 13 1 1 A 121 121 ILE CB C 121 41.582 39.498 2.084 1 1 1376 . 13 1 1 A 121 121 ILE N N 121 116.046 122.286 -6.240 1 1 1377 . 13 1 1 A 122 122 ASN H H 122 8.329 9.020 -0.691 1 1 1378 . 13 1 1 A 122 122 ASN HA H 122 5.068 5.401 -0.333 1 1 1383 . 13 1 1 A 122 122 ASN CA C 122 52.654 52.180 0.474 1 1 1384 . 13 1 1 A 122 122 ASN CB C 122 42.112 40.626 1.486 1 1 1385 . 13 1 1 A 122 122 ASN N N 122 118.416 121.657 -3.241 1 1 1387 . 13 1 1 A 123 123 ALA H H 123 8.547 8.368 0.179 1 1 1388 . 13 1 1 A 123 123 ALA HA H 123 4.597 4.620 -0.023 1 1 1392 . 13 1 1 A 123 123 ALA CA C 123 48.537 49.795 -1.258 1 1 1393 . 13 1 1 A 123 123 ALA CB C 123 19.998 19.040 0.958 1 1 1394 . 13 1 1 A 123 123 ALA N N 123 124.108 127.612 -3.504 1 1 1395 . 13 1 1 A 124 124 PRO HA H 124 4.537 4.509 0.028 1 1 1402 . 13 1 1 A 124 124 PRO CA C 124 60.979 62.518 -1.539 1 1 1403 . 13 1 1 A 124 124 PRO CB C 124 32.285 32.129 0.156 1 1 1406 . 13 1 1 A 125 125 ALA H H 125 8.587 8.235 0.352 1 1 1407 . 13 1 1 A 125 125 ALA HA H 125 3.899 4.266 -0.367 1 1 1411 . 13 1 1 A 125 125 ALA CA C 125 52.692 52.942 -0.250 1 1 1412 . 13 1 1 A 125 125 ALA CB C 125 18.631 19.093 -0.462 1 1 1413 . 13 1 1 A 125 125 ALA N N 125 121.333 124.187 -2.854 1 1 1414 . 13 1 1 A 126 126 SER H H 126 8.227 8.816 -0.589 1 1 1415 . 13 1 1 A 126 126 SER HA H 126 4.616 4.533 0.083 1 1 1418 . 13 1 1 A 126 126 SER CA C 126 59.168 58.397 0.771 1 1 1419 . 13 1 1 A 126 126 SER CB C 126 64.636 63.108 1.528 1 1 1420 . 13 1 1 A 126 126 SER N N 126 118.947 119.005 -0.058 1 1 1421 . 13 1 1 A 127 127 VAL H H 127 8.595 8.714 -0.119 1 1 1422 . 13 1 1 A 127 127 VAL HA H 127 4.276 4.159 0.117 1 1 1430 . 13 1 1 A 127 127 VAL CA C 127 62.194 63.640 -1.446 1 1 1431 . 13 1 1 A 127 127 VAL CB C 127 32.852 32.564 0.288 1 1 1434 . 13 1 1 A 127 127 VAL N N 127 117.209 126.421 -9.212 1 1 1435 . 13 1 1 A 128 128 LEU H H 128 7.844 7.448 0.396 1 1 1436 . 13 1 1 A 128 128 LEU HA H 128 4.588 4.674 -0.086 1 1 1446 . 13 1 1 A 128 128 LEU CA C 128 53.639 53.123 0.516 1 1 1447 . 13 1 1 A 128 128 LEU CB C 128 44.574 44.587 -0.013 1 1 1451 . 13 1 1 A 128 128 LEU N N 128 121.103 123.299 -2.196 1 1 1452 . 13 1 1 A 129 129 ALA H H 129 8.377 8.839 -0.462 1 1 1453 . 13 1 1 A 129 129 ALA HA H 129 4.538 4.905 -0.367 1 1 1457 . 13 1 1 A 129 129 ALA CA C 129 53.476 49.479 3.997 1 1 1458 . 13 1 1 A 129 129 ALA CB C 129 20.982 21.635 -0.653 1 1 1459 . 13 1 1 A 129 129 ALA N N 129 123.679 123.181 0.498 1 1 1460 . 13 1 1 A 130 130 PRO HA H 130 4.669 5.185 -0.516 1 1 1467 . 13 1 1 A 130 130 PRO CA C 130 62.314 62.463 -0.149 1 1 1468 . 13 1 1 A 130 130 PRO CB C 130 33.473 32.681 0.792 1 1 1471 . 13 1 1 A 131 131 SER H H 131 9.365 8.479 0.886 1 1 1472 . 13 1 1 A 131 131 SER HA H 131 4.520 4.691 -0.171 1 1 1475 . 13 1 1 A 131 131 SER CA C 131 59.385 57.876 1.509 1 1 1476 . 13 1 1 A 131 131 SER CB C 131 63.866 61.542 2.324 1 1 1477 . 13 1 1 A 131 131 SER N N 131 122.226 116.042 6.184 1 1 1478 . 13 1 1 A 132 132 ASP H H 132 8.608 8.376 0.232 1 1 1479 . 13 1 1 A 132 132 ASP HA H 132 5.260 5.835 -0.575 1 1 1482 . 13 1 1 A 132 132 ASP CA C 132 53.345 52.791 0.554 1 1 1483 . 13 1 1 A 132 132 ASP CB C 132 41.791 43.544 -1.753 1 1 1484 . 13 1 1 A 132 132 ASP N N 132 124.814 122.530 2.284 1 1 1485 . 13 1 1 A 133 133 VAL H H 133 9.405 8.816 0.589 1 1 1486 . 13 1 1 A 133 133 VAL HA H 133 4.226 4.991 -0.765 1 1 1494 . 13 1 1 A 133 133 VAL CA C 133 61.669 60.674 0.995 1 1 1495 . 13 1 1 A 133 133 VAL CB C 133 34.448 35.205 -0.757 1 1 1498 . 13 1 1 A 133 133 VAL N N 133 127.192 124.514 2.678 1 1 1499 . 13 1 1 A 134 134 ASP H H 134 8.468 9.016 -0.548 1 1 1500 . 13 1 1 A 134 134 ASP HA H 134 5.368 5.530 -0.162 1 1 1503 . 13 1 1 A 134 134 ASP CA C 134 52.326 52.466 -0.140 1 1 1504 . 13 1 1 A 134 134 ASP CB C 134 41.245 42.557 -1.312 1 1 1505 . 13 1 1 A 134 134 ASP N N 134 127.161 124.787 2.374 1 1 1506 . 13 1 1 A 135 135 ILE H H 135 9.406 8.929 0.477 1 1 1507 . 13 1 1 A 135 135 ILE HA H 135 4.636 4.945 -0.309 1 1 1517 . 13 1 1 A 135 135 ILE CA C 135 57.478 56.994 0.484 1 1 1518 . 13 1 1 A 135 135 ILE CB C 135 39.411 39.957 -0.546 1 1 1522 . 13 1 1 A 135 135 ILE N N 135 125.603 120.840 4.763 1 1 1523 . 13 1 1 A 136 136 PRO HA H 136 4.844 4.928 -0.084 1 1 1530 . 13 1 1 A 136 136 PRO CA C 136 62.314 62.306 0.008 1 1 1531 . 13 1 1 A 136 136 PRO CB C 136 31.563 32.516 -0.953 1 1 1534 . 13 1 1 A 137 137 LEU H H 137 9.196 8.874 0.322 1 1 1535 . 13 1 1 A 137 137 LEU HA H 137 4.739 4.765 -0.026 1 1 1545 . 13 1 1 A 137 137 LEU CA C 137 53.609 53.811 -0.202 1 1 1546 . 13 1 1 A 137 137 LEU CB C 137 45.473 44.343 1.130 1 1 1550 . 13 1 1 A 137 137 LEU N N 137 124.087 122.514 1.573 1 1 1551 . 13 1 1 A 138 138 GLN H H 138 8.928 8.907 0.021 1 1 1552 . 13 1 1 A 138 138 GLN HA H 138 4.581 4.621 -0.040 1 1 1559 . 13 1 1 A 138 138 GLN CA C 138 54.780 54.679 0.101 1 1 1560 . 13 1 1 A 138 138 GLN CB C 138 29.048 29.226 -0.178 1 1 1562 . 13 1 1 A 138 138 GLN N N 138 122.528 125.159 -2.631 1 1 1564 . 13 1 1 A 139 139 LEU H H 139 9.039 8.584 0.455 1 1 1565 . 13 1 1 A 139 139 LEU HA H 139 4.205 4.195 0.010 1 1 1575 . 13 1 1 A 139 139 LEU CA C 139 52.367 54.231 -1.864 1 1 1576 . 13 1 1 A 139 139 LEU CB C 139 38.673 40.442 -1.769 1 1 1580 . 13 1 1 A 139 139 LEU N N 139 127.667 126.880 0.787 1 1 1581 . 13 1 1 A 140 140 LYS H H 140 8.078 8.597 -0.519 1 1 1582 . 13 1 1 A 140 140 LYS HA H 140 4.352 4.285 0.067 1 1 1591 . 13 1 1 A 140 140 LYS CA C 140 56.826 56.612 0.214 1 1 1592 . 13 1 1 A 140 140 LYS CB C 140 32.657 33.500 -0.843 1 1 1596 . 13 1 1 A 140 140 LYS N N 140 124.108 123.721 0.387 1 1 1597 . 13 1 1 A 141 141 GLY H H 141 9.166 8.971 0.195 1 1 1598 . 13 1 1 A 141 141 GLY HA2 H 141 3.788 3.940 -0.152 1 1 1599 . 13 1 1 A 141 141 GLY HA3 H 141 4.119 3.967 0.152 1 1 1600 . 13 1 1 A 141 141 GLY CA C 141 45.682 45.650 0.032 1 1 1601 . 13 1 1 A 141 141 GLY N N 141 110.698 111.525 -0.827 1 1 1602 . 13 1 1 A 142 142 ILE H H 142 7.112 7.842 -0.730 1 1 1603 . 13 1 1 A 142 142 ILE HA H 142 4.600 4.877 -0.277 1 1 1613 . 13 1 1 A 142 142 ILE CA C 142 58.547 59.671 -1.124 1 1 1614 . 13 1 1 A 142 142 ILE CB C 142 40.437 41.598 -1.161 1 1 1618 . 13 1 1 A 142 142 ILE N N 142 117.928 121.273 -3.345 1 1 1619 . 13 1 1 A 143 143 SER H H 143 8.381 9.071 -0.690 1 1 1620 . 13 1 1 A 143 143 SER HA H 143 4.613 4.486 0.127 1 1 1623 . 13 1 1 A 143 143 SER CA C 143 56.654 58.882 -2.228 1 1 1624 . 13 1 1 A 143 143 SER CB C 143 65.051 63.895 1.156 1 1 1625 . 13 1 1 A 143 143 SER N N 143 123.373 123.844 -0.471 1 1 1626 . 13 1 1 A 144 144 VAL H H 144 8.702 8.567 0.135 1 1 1627 . 13 1 1 A 144 144 VAL HA H 144 3.593 3.892 -0.299 1 1 1635 . 13 1 1 A 144 144 VAL CA C 144 65.655 64.994 0.661 1 1 1636 . 13 1 1 A 144 144 VAL CB C 144 31.434 31.888 -0.454 1 1 1639 . 13 1 1 A 144 144 VAL N N 144 120.791 126.251 -5.460 1 1 1640 . 13 1 1 A 145 145 ASP H H 145 8.151 8.303 -0.152 1 1 1641 . 13 1 1 A 145 145 ASP HA H 145 4.435 4.422 0.013 1 1 1644 . 13 1 1 A 145 145 ASP CA C 145 55.211 57.374 -2.163 1 1 1645 . 13 1 1 A 145 145 ASP CB C 145 40.268 41.763 -1.495 1 1 1646 . 13 1 1 A 145 145 ASP N N 145 115.698 121.183 -5.485 1 1 1647 . 13 1 1 A 146 146 GLN H H 146 7.553 7.553 0.000 1 1 1648 . 13 1 1 A 146 146 GLN HA H 146 4.302 4.450 -0.148 1 1 1655 . 13 1 1 A 146 146 GLN CA C 146 55.072 55.358 -0.286 1 1 1656 . 13 1 1 A 146 146 GLN CB C 146 29.990 29.748 0.242 1 1 1658 . 13 1 1 A 146 146 GLN N N 146 117.118 115.721 1.397 1 1 1660 . 13 1 1 A 147 147 LEU H H 147 7.368 7.512 -0.144 1 1 1661 . 13 1 1 A 147 147 LEU HA H 147 4.119 4.392 -0.273 1 1 1671 . 13 1 1 A 147 147 LEU CA C 147 54.904 54.799 0.105 1 1 1672 . 13 1 1 A 147 147 LEU CB C 147 40.355 40.856 -0.501 1 1 1676 . 13 1 1 A 147 147 LEU N N 147 121.541 122.034 -0.493 1 1 1677 . 13 1 1 A 148 148 GLY H H 148 8.791 8.790 0.001 1 1 1678 . 13 1 1 A 148 148 GLY HA2 H 148 4.512 3.998 0.514 1 1 1679 . 13 1 1 A 148 148 GLY HA3 H 148 3.997 4.095 -0.098 1 1 1680 . 13 1 1 A 148 148 GLY CA C 148 45.610 46.665 -1.055 1 1 1681 . 13 1 1 A 148 148 GLY N N 148 116.322 113.012 3.310 1 1 1682 . 13 1 1 A 149 149 PHE H H 149 7.790 7.418 0.372 1 1 1683 . 13 1 1 A 149 149 PHE HA H 149 5.215 4.972 0.243 1 1 1691 . 13 1 1 A 149 149 PHE CA C 149 56.942 56.495 0.447 1 1 1692 . 13 1 1 A 149 149 PHE CB C 149 42.019 40.811 1.208 1 1 1696 . 13 1 1 A 149 149 PHE N N 149 113.675 113.221 0.454 1 1 1697 . 13 1 1 A 150 150 VAL H H 150 8.549 8.815 -0.266 1 1 1698 . 13 1 1 A 150 150 VAL HA H 150 4.776 4.540 0.236 1 1 1706 . 13 1 1 A 150 150 VAL CA C 150 61.068 61.471 -0.403 1 1 1707 . 13 1 1 A 150 150 VAL CB C 150 34.594 33.720 0.874 1 1 1710 . 13 1 1 A 150 150 VAL N N 150 118.208 120.210 -2.002 1 1 1711 . 13 1 1 A 151 151 ARG H H 151 9.953 9.177 0.776 1 1 1712 . 13 1 1 A 151 151 ARG HA H 151 5.783 4.529 1.254 1 1 1719 . 13 1 1 A 151 151 ARG CA C 151 53.530 55.846 -2.316 1 1 1720 . 13 1 1 A 151 151 ARG CB C 151 33.540 31.011 2.529 1 1 1723 . 13 1 1 A 151 151 ARG N N 151 128.446 128.306 0.140 1 1 1724 . 13 1 1 A 152 152 ILE H H 152 8.905 8.983 -0.078 1 1 1725 . 13 1 1 A 152 152 ILE HA H 152 5.188 4.807 0.381 1 1 1735 . 13 1 1 A 152 152 ILE CA C 152 60.464 60.709 -0.245 1 1 1736 . 13 1 1 A 152 152 ILE CB C 152 39.542 38.167 1.375 1 1 1740 . 13 1 1 A 152 152 ILE N N 152 127.149 128.641 -1.492 1 1 1741 . 13 1 1 A 153 153 HIS H H 153 8.941 8.260 0.681 1 1 1742 . 13 1 1 A 153 153 HIS HA H 153 5.074 4.864 0.210 1 1 1747 . 13 1 1 A 153 153 HIS CA C 153 53.417 54.603 -1.186 1 1 1748 . 13 1 1 A 153 153 HIS CB C 153 31.734 32.137 -0.403 1 1 1751 . 13 1 1 A 153 153 HIS N N 153 119.132 123.850 -4.718 1 1 1752 . 13 1 1 A 154 154 ASP H H 154 9.109 8.872 0.237 1 1 1753 . 13 1 1 A 154 154 ASP HA H 154 4.276 4.149 0.127 1 1 1756 . 13 1 1 A 154 154 ASP CA C 154 55.630 55.514 0.116 1 1 1757 . 13 1 1 A 154 154 ASP CB C 154 39.450 39.198 0.252 1 1 1758 . 13 1 1 A 154 154 ASP N N 154 116.420 116.529 -0.109 1 1 1759 . 13 1 1 A 155 155 ILE H H 155 8.062 8.089 -0.027 1 1 1760 . 13 1 1 A 155 155 ILE HA H 155 5.051 4.476 0.575 1 1 1770 . 13 1 1 A 155 155 ILE CA C 155 59.666 62.228 -2.562 1 1 1771 . 13 1 1 A 155 155 ILE CB C 155 35.757 37.368 -1.611 1 1 1775 . 13 1 1 A 155 155 ILE N N 155 119.131 119.746 -0.615 1 1 1776 . 13 1 1 A 156 156 GLN H H 156 9.011 9.153 -0.142 1 1 1777 . 13 1 1 A 156 156 GLN HA H 156 4.993 4.963 0.030 1 1 1784 . 13 1 1 A 156 156 GLN CA C 156 51.975 52.927 -0.952 1 1 1785 . 13 1 1 A 156 156 GLN CB C 156 31.210 31.985 -0.775 1 1 1787 . 13 1 1 A 156 156 GLN N N 156 127.177 124.233 2.944 1 1 1789 . 13 1 1 A 157 157 PRO HA H 157 4.964 5.037 -0.073 1 1 1796 . 13 1 1 A 157 157 PRO CA C 157 61.770 62.527 -0.757 1 1 1797 . 13 1 1 A 157 157 PRO CB C 157 31.637 31.995 -0.358 1 1 1800 . 13 1 1 A 158 158 VAL H H 158 7.921 8.708 -0.787 1 1 1801 . 13 1 1 A 158 158 VAL HA H 158 4.107 4.965 -0.858 1 1 1809 . 13 1 1 A 158 158 VAL CA C 158 62.234 59.333 2.901 1 1 1810 . 13 1 1 A 158 158 VAL CB C 158 32.610 34.934 -2.324 1 1 1813 . 13 1 1 A 158 158 VAL N N 158 121.642 122.420 -0.778 1 1 1814 . 13 1 1 A 159 159 MET H H 159 8.544 8.910 -0.366 1 1 1815 . 13 1 1 A 159 159 MET HA H 159 4.548 4.996 -0.448 1 1 1820 . 13 1 1 A 159 159 MET CA C 159 54.731 53.863 0.868 1 1 1821 . 13 1 1 A 159 159 MET CB C 159 32.547 34.521 -1.974 1 1 1823 . 13 1 1 A 159 159 MET N N 159 124.452 125.155 -0.703 1 1 1824 . 13 1 1 A 160 160 GLN H H 160 8.434 8.393 0.041 1 1 1825 . 13 1 1 A 160 160 GLN HA H 160 4.354 4.282 0.072 1 1 1832 . 13 1 1 A 160 160 GLN CA C 160 55.399 55.729 -0.330 1 1 1833 . 13 1 1 A 160 160 GLN CB C 160 29.112 29.071 0.041 1 1 1835 . 13 1 1 A 160 160 GLN N N 160 121.917 119.296 2.621 1 1 1837 . 13 1 1 A 161 161 LEU H H 161 8.325 8.440 -0.115 1 1 1838 . 13 1 1 A 161 161 LEU HA H 161 4.314 4.184 0.130 1 1 1848 . 13 1 1 A 161 161 LEU CA C 161 55.040 54.998 0.042 1 1 1849 . 13 1 1 A 161 161 LEU CB C 161 42.225 41.089 1.136 1 1 1853 . 13 1 1 A 161 161 LEU N N 161 123.826 122.169 1.657 1 1 1854 . 13 1 1 A 162 162 GLU H H 162 8.358 8.651 -0.293 1 1 1855 . 13 1 1 A 162 162 GLU HA H 162 4.216 4.218 -0.002 1 1 1860 . 13 1 1 A 162 162 GLU CA C 162 56.343 56.841 -0.498 1 1 1861 . 13 1 1 A 162 162 GLU CB C 162 30.083 29.953 0.130 1 1 1863 . 13 1 1 A 162 162 GLU N N 162 121.293 125.902 -4.609 1 1 1864 . 13 1 1 A 163 163 HIS H H 163 8.376 8.836 -0.460 1 1 1865 . 13 1 1 A 163 163 HIS HA H 163 4.641 4.498 0.143 1 1 1868 . 13 1 1 A 163 163 HIS CA C 163 55.437 54.523 0.914 1 1 1869 . 13 1 1 A 163 163 HIS CB C 163 29.412 27.535 1.877 1 1 1870 . 13 1 1 A 163 163 HIS N N 163 121.307 121.852 -0.545 1 1 1871 . 13 1 1 A 164 164 HIS H H 164 8.289 8.034 0.255 1 1 1872 . 13 1 1 A 164 164 HIS N N 164 125.228 115.733 9.495 1 1 1873 . 13 1 1 A 166 166 HIS HA H 166 4.300 4.499 -0.199 1 1 1876 . 13 1 1 A 166 166 HIS CA C 166 55.708 56.683 -0.975 1 1 1877 . 13 1 1 A 166 166 HIS CB C 166 29.207 29.547 -0.340 1 1 1878 . 13 1 1 A 167 167 HIS H H 167 8.591 8.908 -0.317 1 1 1879 . 13 1 1 A 167 167 HIS HA H 167 4.541 4.079 0.462 1 1 1882 . 13 1 1 A 167 167 HIS CA C 167 54.678 56.711 -2.033 1 1 1883 . 13 1 1 A 167 167 HIS CB C 167 26.256 28.037 -1.781 1 1 1884 . 13 1 1 A 167 167 HIS N N 167 121.317 119.359 1.958 1 1 1 . 14 1 1 A 2 2 VAL HA H 2 3.850 4.073 -0.223 1 1 9 . 14 1 1 A 2 2 VAL CA C 2 61.400 62.232 -0.832 1 1 10 . 14 1 1 A 2 2 VAL CB C 2 32.400 31.788 0.612 1 1 13 . 14 1 1 A 3 3 GLN HA H 3 4.445 4.671 -0.226 1 1 18 . 14 1 1 A 3 3 GLN CA C 3 55.467 54.978 0.489 1 1 19 . 14 1 1 A 3 3 GLN CB C 3 29.271 30.240 -0.969 1 1 21 . 14 1 1 A 4 4 GLN H H 4 8.703 8.390 0.313 1 1 22 . 14 1 1 A 4 4 GLN HA H 4 4.356 4.364 -0.008 1 1 27 . 14 1 1 A 4 4 GLN CA C 4 55.961 56.085 -0.124 1 1 28 . 14 1 1 A 4 4 GLN CB C 4 29.178 28.624 0.554 1 1 30 . 14 1 1 A 4 4 GLN N N 4 123.281 124.482 -1.201 1 1 31 . 14 1 1 A 5 5 SER H H 5 8.426 8.614 -0.188 1 1 32 . 14 1 1 A 5 5 SER HA H 5 4.424 5.068 -0.644 1 1 35 . 14 1 1 A 5 5 SER CA C 5 58.498 56.905 1.593 1 1 36 . 14 1 1 A 5 5 SER CB C 5 63.534 63.394 0.140 1 1 37 . 14 1 1 A 5 5 SER N N 5 116.845 118.815 -1.970 1 1 38 . 14 1 1 A 6 6 GLU H H 6 8.434 8.775 -0.341 1 1 39 . 14 1 1 A 6 6 GLU HA H 6 4.342 4.437 -0.095 1 1 44 . 14 1 1 A 6 6 GLU CA C 6 56.410 55.802 0.608 1 1 45 . 14 1 1 A 6 6 GLU CB C 6 29.873 28.105 1.768 1 1 47 . 14 1 1 A 6 6 GLU N N 6 122.965 127.374 -4.409 1 1 48 . 14 1 1 A 7 7 VAL H H 7 8.131 8.243 -0.112 1 1 49 . 14 1 1 A 7 7 VAL HA H 7 4.063 4.676 -0.613 1 1 57 . 14 1 1 A 7 7 VAL CA C 7 62.213 60.486 1.727 1 1 58 . 14 1 1 A 7 7 VAL CB C 7 32.391 33.376 -0.985 1 1 61 . 14 1 1 A 7 7 VAL N N 7 121.508 119.787 1.721 1 1 62 . 14 1 1 A 8 8 ARG H H 8 8.376 8.742 -0.366 1 1 63 . 14 1 1 A 8 8 ARG HA H 8 4.335 4.955 -0.620 1 1 70 . 14 1 1 A 8 8 ARG CA C 8 56.013 54.217 1.796 1 1 71 . 14 1 1 A 8 8 ARG CB C 8 30.528 32.188 -1.660 1 1 74 . 14 1 1 A 8 8 ARG N N 8 124.504 121.724 2.780 1 1 75 . 14 1 1 A 9 9 GLN H H 9 8.360 9.156 -0.796 1 1 76 . 14 1 1 A 9 9 GLN HA H 9 4.353 4.879 -0.526 1 1 81 . 14 1 1 A 9 9 GLN CA C 9 55.446 55.130 0.316 1 1 82 . 14 1 1 A 9 9 GLN CB C 9 29.236 30.178 -0.942 1 1 84 . 14 1 1 A 9 9 GLN N N 9 121.537 126.271 -4.734 1 1 85 . 14 1 1 A 10 10 MET H H 10 8.391 9.111 -0.720 1 1 86 . 14 1 1 A 10 10 MET HA H 10 4.459 5.454 -0.995 1 1 91 . 14 1 1 A 10 10 MET CA C 10 55.062 53.383 1.679 1 1 92 . 14 1 1 A 10 10 MET CB C 10 32.482 34.904 -2.422 1 1 94 . 14 1 1 A 10 10 MET N N 10 122.199 122.995 -0.796 1 1 95 . 14 1 1 A 11 11 LYS H H 11 8.317 8.913 -0.596 1 1 96 . 14 1 1 A 11 11 LYS HA H 11 4.296 5.042 -0.746 1 1 105 . 14 1 1 A 11 11 LYS CA C 11 56.114 54.886 1.228 1 1 106 . 14 1 1 A 11 11 LYS CB C 11 32.372 36.317 -3.945 1 1 110 . 14 1 1 A 11 11 LYS N N 11 122.440 120.699 1.741 1 1 111 . 14 1 1 A 12 12 HIS H H 12 8.489 8.841 -0.352 1 1 112 . 14 1 1 A 12 12 HIS HA H 12 4.748 4.721 0.027 1 1 116 . 14 1 1 A 12 12 HIS CA C 12 55.052 54.903 0.149 1 1 117 . 14 1 1 A 12 12 HIS CB C 12 29.094 30.396 -1.302 1 1 119 . 14 1 1 A 12 12 HIS N N 12 119.934 122.873 -2.939 1 1 120 . 14 1 1 A 13 13 SER H H 13 8.401 8.674 -0.273 1 1 121 . 14 1 1 A 13 13 SER HA H 13 4.518 4.415 0.103 1 1 124 . 14 1 1 A 13 13 SER CA C 13 57.855 58.383 -0.528 1 1 125 . 14 1 1 A 13 13 SER CB C 13 63.750 63.202 0.548 1 1 126 . 14 1 1 A 13 13 SER N N 13 117.596 123.142 -5.546 1 1 127 . 14 1 1 A 14 14 VAL H H 14 8.285 8.799 -0.514 1 1 128 . 14 1 1 A 14 14 VAL HA H 14 4.239 4.493 -0.254 1 1 136 . 14 1 1 A 14 14 VAL CA C 14 62.078 61.599 0.479 1 1 137 . 14 1 1 A 14 14 VAL CB C 14 32.564 33.279 -0.715 1 1 140 . 14 1 1 A 14 14 VAL N N 14 121.378 126.955 -5.577 1 1 141 . 14 1 1 A 15 15 SER H H 15 8.419 9.001 -0.582 1 1 142 . 14 1 1 A 15 15 SER HA H 15 4.556 5.232 -0.676 1 1 145 . 14 1 1 A 15 15 SER CA C 15 57.855 56.963 0.892 1 1 146 . 14 1 1 A 15 15 SER CB C 15 63.600 64.640 -1.040 1 1 147 . 14 1 1 A 15 15 SER N N 15 119.022 123.152 -4.130 1 1 148 . 14 1 1 A 16 16 THR H H 16 8.189 8.906 -0.717 1 1 149 . 14 1 1 A 16 16 THR HA H 16 4.362 5.187 -0.825 1 1 154 . 14 1 1 A 16 16 THR CA C 16 61.510 59.439 2.071 1 1 155 . 14 1 1 A 16 16 THR CB C 16 69.292 72.033 -2.741 1 1 157 . 14 1 1 A 16 16 THR N N 16 116.040 115.246 0.794 1 1 158 . 14 1 1 A 17 17 LEU H H 17 8.168 8.519 -0.351 1 1 159 . 14 1 1 A 17 17 LEU HA H 17 4.331 4.356 -0.025 1 1 169 . 14 1 1 A 17 17 LEU CA C 17 55.446 54.963 0.483 1 1 170 . 14 1 1 A 17 17 LEU CB C 17 42.032 42.385 -0.353 1 1 174 . 14 1 1 A 17 17 LEU N N 17 123.796 123.364 0.432 1 1 175 . 14 1 1 A 18 18 ASN H H 18 8.406 8.837 -0.431 1 1 176 . 14 1 1 A 18 18 ASN HA H 18 4.685 4.883 -0.198 1 1 181 . 14 1 1 A 18 18 ASN CA C 18 53.276 53.137 0.139 1 1 182 . 14 1 1 A 18 18 ASN CB C 18 38.462 38.150 0.312 1 1 183 . 14 1 1 A 18 18 ASN N N 18 119.197 122.166 -2.969 1 1 185 . 14 1 1 A 19 19 GLN H H 19 8.346 8.667 -0.321 1 1 186 . 14 1 1 A 19 19 GLN HA H 19 4.319 4.446 -0.127 1 1 193 . 14 1 1 A 19 19 GLN CA C 19 56.075 56.436 -0.361 1 1 194 . 14 1 1 A 19 19 GLN CB C 19 29.077 29.261 -0.184 1 1 196 . 14 1 1 A 19 19 GLN N N 19 120.620 123.794 -3.174 1 1 198 . 14 1 1 A 20 20 GLU H H 20 8.474 7.541 0.933 1 1 199 . 14 1 1 A 20 20 GLU HA H 20 4.269 4.553 -0.284 1 1 204 . 14 1 1 A 20 20 GLU CA C 20 56.932 54.700 2.232 1 1 205 . 14 1 1 A 20 20 GLU CB C 20 29.694 30.747 -1.053 1 1 207 . 14 1 1 A 20 20 GLU N N 20 121.410 118.737 2.673 1 1 208 . 14 1 1 A 21 21 MET H H 21 8.366 8.803 -0.437 1 1 209 . 14 1 1 A 21 21 MET HA H 21 4.538 4.982 -0.444 1 1 214 . 14 1 1 A 21 21 MET CA C 21 55.812 53.903 1.909 1 1 215 . 14 1 1 A 21 21 MET CB C 21 32.188 35.601 -3.413 1 1 217 . 14 1 1 A 21 21 MET N N 21 120.618 119.811 0.807 1 1 218 . 14 1 1 A 22 22 THR H H 22 8.127 8.385 -0.258 1 1 219 . 14 1 1 A 22 22 THR HA H 22 4.299 4.529 -0.230 1 1 224 . 14 1 1 A 22 22 THR CA C 22 62.287 61.135 1.152 1 1 225 . 14 1 1 A 22 22 THR CB C 22 69.174 70.769 -1.595 1 1 227 . 14 1 1 A 22 22 THR N N 22 114.858 113.479 1.379 1 1 228 . 14 1 1 A 23 23 GLN H H 23 8.342 8.489 -0.147 1 1 229 . 14 1 1 A 23 23 GLN HA H 23 4.339 4.170 0.169 1 1 236 . 14 1 1 A 23 23 GLN CA C 23 56.148 56.113 0.035 1 1 237 . 14 1 1 A 23 23 GLN CB C 23 29.112 28.983 0.129 1 1 239 . 14 1 1 A 23 23 GLN N N 23 122.047 119.032 3.015 1 1 241 . 14 1 1 A 24 24 LEU H H 24 8.174 8.632 -0.458 1 1 242 . 14 1 1 A 24 24 LEU HA H 24 4.334 5.060 -0.726 1 1 252 . 14 1 1 A 24 24 LEU CA C 24 55.519 53.469 2.050 1 1 253 . 14 1 1 A 24 24 LEU CB C 24 42.146 46.442 -4.296 1 1 257 . 14 1 1 A 24 24 LEU N N 24 122.328 124.422 -2.094 1 1 258 . 14 1 1 A 25 25 ASN H H 25 8.384 8.789 -0.405 1 1 259 . 14 1 1 A 25 25 ASN HA H 25 4.692 4.495 0.197 1 1 264 . 14 1 1 A 25 25 ASN CA C 25 53.481 53.943 -0.462 1 1 265 . 14 1 1 A 25 25 ASN CB C 25 38.445 39.654 -1.209 1 1 266 . 14 1 1 A 25 25 ASN N N 25 119.262 122.800 -3.538 1 1 268 . 14 1 1 A 26 26 GLN H H 26 8.453 8.595 -0.142 1 1 269 . 14 1 1 A 26 26 GLN HA H 26 4.215 3.968 0.247 1 1 276 . 14 1 1 A 26 26 GLN CA C 26 57.037 59.265 -2.228 1 1 277 . 14 1 1 A 26 26 GLN CB C 26 28.996 28.360 0.636 1 1 279 . 14 1 1 A 26 26 GLN N N 26 120.394 124.930 -4.536 1 1 281 . 14 1 1 A 27 27 GLU H H 27 8.501 8.301 0.200 1 1 282 . 14 1 1 A 27 27 GLU HA H 27 4.202 4.135 0.067 1 1 287 . 14 1 1 A 27 27 GLU CA C 27 58.573 59.164 -0.591 1 1 288 . 14 1 1 A 27 27 GLU CB C 27 29.349 29.406 -0.057 1 1 290 . 14 1 1 A 27 27 GLU N N 27 121.130 119.511 1.619 1 1 291 . 14 1 1 A 28 28 THR H H 28 8.032 7.667 0.365 1 1 292 . 14 1 1 A 28 28 THR HA H 28 4.079 4.037 0.042 1 1 297 . 14 1 1 A 28 28 THR CA C 28 64.762 66.547 -1.785 1 1 298 . 14 1 1 A 28 28 THR CB C 28 68.354 68.190 0.164 1 1 300 . 14 1 1 A 28 28 THR N N 28 114.032 116.360 -2.328 1 1 301 . 14 1 1 A 29 29 VAL H H 29 7.969 7.914 0.055 1 1 302 . 14 1 1 A 29 29 VAL HA H 29 3.812 3.571 0.241 1 1 310 . 14 1 1 A 29 29 VAL CA C 29 65.572 67.121 -1.549 1 1 311 . 14 1 1 A 29 29 VAL CB C 29 31.624 31.367 0.257 1 1 314 . 14 1 1 A 29 29 VAL N N 29 122.215 121.826 0.389 1 1 315 . 14 1 1 A 30 30 LYS H H 30 7.910 7.794 0.116 1 1 316 . 14 1 1 A 30 30 LYS HA H 30 4.175 3.970 0.205 1 1 325 . 14 1 1 A 30 30 LYS CA C 30 57.780 59.804 -2.024 1 1 326 . 14 1 1 A 30 30 LYS CB C 30 31.537 32.491 -0.954 1 1 330 . 14 1 1 A 30 30 LYS N N 30 119.387 118.481 0.906 1 1 331 . 14 1 1 A 31 31 ILE H H 31 8.277 7.819 0.458 1 1 332 . 14 1 1 A 31 31 ILE HA H 31 3.602 3.575 0.027 1 1 342 . 14 1 1 A 31 31 ILE CA C 31 65.712 65.816 -0.104 1 1 343 . 14 1 1 A 31 31 ILE CB C 31 38.559 37.994 0.565 1 1 347 . 14 1 1 A 31 31 ILE N N 31 121.053 120.969 0.084 1 1 348 . 14 1 1 A 32 32 THR H H 32 7.896 8.367 -0.471 1 1 349 . 14 1 1 A 32 32 THR HA H 32 4.004 3.839 0.165 1 1 354 . 14 1 1 A 32 32 THR CA C 32 65.922 66.889 -0.967 1 1 355 . 14 1 1 A 32 32 THR CB C 32 68.400 68.346 0.054 1 1 357 . 14 1 1 A 32 32 THR N N 32 115.554 116.907 -1.353 1 1 358 . 14 1 1 A 33 33 GLN H H 33 8.279 8.055 0.224 1 1 359 . 14 1 1 A 33 33 GLN HA H 33 3.887 3.904 -0.017 1 1 366 . 14 1 1 A 33 33 GLN CA C 33 59.052 59.123 -0.071 1 1 367 . 14 1 1 A 33 33 GLN CB C 33 27.889 28.293 -0.404 1 1 369 . 14 1 1 A 33 33 GLN N N 33 120.920 121.776 -0.856 1 1 371 . 14 1 1 A 34 34 GLN H H 34 8.671 7.998 0.673 1 1 372 . 14 1 1 A 34 34 GLN HA H 34 3.615 3.994 -0.379 1 1 379 . 14 1 1 A 34 34 GLN CA C 34 60.424 58.911 1.513 1 1 380 . 14 1 1 A 34 34 GLN CB C 34 30.058 28.231 1.827 1 1 382 . 14 1 1 A 34 34 GLN N N 34 120.388 118.956 1.432 1 1 384 . 14 1 1 A 35 35 ASN H H 35 8.636 8.169 0.467 1 1 385 . 14 1 1 A 35 35 ASN HA H 35 4.595 4.561 0.034 1 1 390 . 14 1 1 A 35 35 ASN CA C 35 55.363 55.617 -0.254 1 1 391 . 14 1 1 A 35 35 ASN CB C 35 36.904 37.981 -1.077 1 1 392 . 14 1 1 A 35 35 ASN N N 35 116.477 118.163 -1.686 1 1 394 . 14 1 1 A 36 36 ARG H H 36 8.321 7.695 0.626 1 1 395 . 14 1 1 A 36 36 ARG HA H 36 4.142 4.070 0.072 1 1 402 . 14 1 1 A 36 36 ARG CA C 36 58.582 59.065 -0.483 1 1 403 . 14 1 1 A 36 36 ARG CB C 36 29.712 30.010 -0.298 1 1 406 . 14 1 1 A 36 36 ARG N N 36 121.347 120.146 1.201 1 1 407 . 14 1 1 A 37 37 LEU H H 37 8.251 8.215 0.036 1 1 408 . 14 1 1 A 37 37 LEU HA H 37 3.788 3.797 -0.009 1 1 418 . 14 1 1 A 37 37 LEU CA C 37 57.094 57.938 -0.844 1 1 419 . 14 1 1 A 37 37 LEU CB C 37 40.554 40.741 -0.187 1 1 423 . 14 1 1 A 37 37 LEU N N 37 120.862 119.652 1.210 1 1 424 . 14 1 1 A 38 38 ASN H H 38 8.047 8.683 -0.636 1 1 425 . 14 1 1 A 38 38 ASN HA H 38 5.134 4.618 0.516 1 1 430 . 14 1 1 A 38 38 ASN CA C 38 54.413 57.158 -2.745 1 1 431 . 14 1 1 A 38 38 ASN CB C 38 38.069 39.562 -1.493 1 1 432 . 14 1 1 A 38 38 ASN N N 38 115.574 118.024 -2.450 1 1 434 . 14 1 1 A 39 39 ALA H H 39 7.878 7.875 0.003 1 1 435 . 14 1 1 A 39 39 ALA HA H 39 4.342 4.050 0.292 1 1 439 . 14 1 1 A 39 39 ALA CA C 39 53.981 54.858 -0.877 1 1 440 . 14 1 1 A 39 39 ALA CB C 39 18.340 18.407 -0.067 1 1 441 . 14 1 1 A 39 39 ALA N N 39 123.076 120.751 2.325 1 1 442 . 14 1 1 A 40 40 LYS H H 40 7.431 7.292 0.139 1 1 443 . 14 1 1 A 40 40 LYS HA H 40 4.528 4.419 0.109 1 1 452 . 14 1 1 A 40 40 LYS CA C 40 55.285 56.345 -1.060 1 1 453 . 14 1 1 A 40 40 LYS CB C 40 32.852 32.961 -0.109 1 1 457 . 14 1 1 A 40 40 LYS N N 40 114.889 115.135 -0.246 1 1 458 . 14 1 1 A 41 41 SER H H 41 7.671 7.467 0.204 1 1 459 . 14 1 1 A 41 41 SER HA H 41 4.615 4.692 -0.077 1 1 462 . 14 1 1 A 41 41 SER CA C 41 58.189 57.592 0.597 1 1 463 . 14 1 1 A 41 41 SER CB C 41 63.924 63.423 0.501 1 1 464 . 14 1 1 A 41 41 SER N N 41 114.795 117.514 -2.719 1 1 465 . 14 1 1 A 42 42 SER H H 42 8.927 9.144 -0.217 1 1 466 . 14 1 1 A 42 42 SER HA H 42 4.792 4.502 0.290 1 1 469 . 14 1 1 A 42 42 SER CA C 42 58.133 59.844 -1.711 1 1 470 . 14 1 1 A 42 42 SER CB C 42 63.712 64.282 -0.570 1 1 471 . 14 1 1 A 42 42 SER N N 42 120.934 125.175 -4.241 1 1 472 . 14 1 1 A 43 43 SER H H 43 8.320 7.918 0.402 1 1 473 . 14 1 1 A 43 43 SER HA H 43 4.654 4.783 -0.129 1 1 476 . 14 1 1 A 43 43 SER CA C 43 57.309 56.505 0.804 1 1 477 . 14 1 1 A 43 43 SER CB C 43 63.151 65.020 -1.869 1 1 478 . 14 1 1 A 43 43 SER N N 43 115.966 112.443 3.523 1 1 479 . 14 1 1 A 44 44 GLY H H 44 8.182 8.726 -0.544 1 1 480 . 14 1 1 A 44 44 GLY HA2 H 44 4.206 4.002 0.204 1 1 481 . 14 1 1 A 44 44 GLY HA3 H 44 4.399 4.051 0.348 1 1 482 . 14 1 1 A 44 44 GLY CA C 44 44.540 44.671 -0.131 1 1 483 . 14 1 1 A 44 44 GLY N N 44 110.764 111.417 -0.653 1 1 484 . 14 1 1 A 45 45 VAL H H 45 8.341 7.957 0.384 1 1 485 . 14 1 1 A 45 45 VAL HA H 45 4.845 4.985 -0.140 1 1 493 . 14 1 1 A 45 45 VAL CA C 45 58.981 59.470 -0.489 1 1 494 . 14 1 1 A 45 45 VAL CB C 45 35.239 35.865 -0.626 1 1 497 . 14 1 1 A 45 45 VAL N N 45 114.116 116.261 -2.145 1 1 498 . 14 1 1 A 46 46 TYR H H 46 10.501 8.873 1.628 1 1 499 . 14 1 1 A 46 46 TYR HA H 46 5.004 5.302 -0.298 1 1 506 . 14 1 1 A 46 46 TYR CA C 46 58.121 57.084 1.037 1 1 507 . 14 1 1 A 46 46 TYR CB C 46 41.382 40.228 1.154 1 1 510 . 14 1 1 A 46 46 TYR N N 46 123.384 122.965 0.419 1 1 511 . 14 1 1 A 47 47 LEU H H 47 9.364 9.564 -0.200 1 1 512 . 14 1 1 A 47 47 LEU HA H 47 4.695 5.333 -0.638 1 1 522 . 14 1 1 A 47 47 LEU CA C 47 52.769 53.478 -0.709 1 1 523 . 14 1 1 A 47 47 LEU CB C 47 44.689 44.374 0.315 1 1 527 . 14 1 1 A 47 47 LEU N N 47 118.822 124.884 -6.062 1 1 528 . 14 1 1 A 48 48 LEU H H 48 9.128 9.176 -0.048 1 1 529 . 14 1 1 A 48 48 LEU HA H 48 5.232 4.840 0.392 1 1 539 . 14 1 1 A 48 48 LEU CA C 48 51.100 51.182 -0.082 1 1 540 . 14 1 1 A 48 48 LEU CB C 48 40.141 43.760 -3.619 1 1 544 . 14 1 1 A 48 48 LEU N N 48 123.384 124.785 -1.401 1 1 545 . 14 1 1 A 49 49 PRO HA H 49 4.090 4.287 -0.197 1 1 552 . 14 1 1 A 49 49 PRO CA C 49 64.912 64.930 -0.018 1 1 553 . 14 1 1 A 49 49 PRO CB C 49 31.607 31.895 -0.288 1 1 556 . 14 1 1 A 50 50 GLY H H 50 9.181 8.578 0.603 1 1 557 . 14 1 1 A 50 50 GLY HA2 H 50 3.933 3.964 -0.031 1 1 558 . 14 1 1 A 50 50 GLY HA3 H 50 4.757 3.965 0.792 1 1 559 . 14 1 1 A 50 50 GLY CA C 50 45.499 45.889 -0.390 1 1 560 . 14 1 1 A 50 50 GLY N N 50 106.827 107.071 -0.244 1 1 561 . 14 1 1 A 51 51 ALA H H 51 7.857 7.835 0.022 1 1 562 . 14 1 1 A 51 51 ALA HA H 51 4.264 4.587 -0.323 1 1 566 . 14 1 1 A 51 51 ALA CA C 51 53.156 50.531 2.625 1 1 567 . 14 1 1 A 51 51 ALA CB C 51 18.492 18.817 -0.325 1 1 568 . 14 1 1 A 51 51 ALA N N 51 120.192 121.400 -1.208 1 1 569 . 14 1 1 A 52 52 LYS H H 52 7.787 8.565 -0.778 1 1 570 . 14 1 1 A 52 52 LYS HA H 52 4.094 4.483 -0.389 1 1 579 . 14 1 1 A 52 52 LYS CA C 52 56.979 56.007 0.972 1 1 580 . 14 1 1 A 52 52 LYS CB C 52 30.731 31.017 -0.286 1 1 584 . 14 1 1 A 52 52 LYS N N 52 115.260 122.577 -7.317 1 1 585 . 14 1 1 A 53 53 THR H H 53 8.043 8.345 -0.302 1 1 586 . 14 1 1 A 53 53 THR HA H 53 4.924 5.092 -0.168 1 1 591 . 14 1 1 A 53 53 THR CA C 53 59.565 58.512 1.053 1 1 592 . 14 1 1 A 53 53 THR CB C 53 72.729 70.596 2.133 1 1 594 . 14 1 1 A 53 53 THR N N 53 114.085 113.110 0.975 1 1 595 . 14 1 1 A 54 54 PRO HA H 54 4.860 5.011 -0.151 1 1 602 . 14 1 1 A 54 54 PRO CA C 54 62.176 62.457 -0.281 1 1 603 . 14 1 1 A 54 54 PRO CB C 54 32.820 32.605 0.215 1 1 606 . 14 1 1 A 55 55 ALA H H 55 8.834 8.705 0.129 1 1 607 . 14 1 1 A 55 55 ALA HA H 55 4.824 4.916 -0.092 1 1 611 . 14 1 1 A 55 55 ALA CA C 55 50.500 50.833 -0.333 1 1 612 . 14 1 1 A 55 55 ALA CB C 55 22.858 22.987 -0.129 1 1 613 . 14 1 1 A 55 55 ALA N N 55 122.227 121.603 0.624 1 1 614 . 14 1 1 A 56 56 ARG H H 56 8.445 8.646 -0.201 1 1 615 . 14 1 1 A 56 56 ARG HA H 56 5.262 4.759 0.503 1 1 623 . 14 1 1 A 56 56 ARG CA C 56 54.401 55.628 -1.227 1 1 624 . 14 1 1 A 56 56 ARG CB C 56 32.849 31.414 1.435 1 1 627 . 14 1 1 A 56 56 ARG N N 56 121.194 122.681 -1.487 1 1 629 . 14 1 1 A 57 57 LEU H H 57 9.159 8.911 0.248 1 1 630 . 14 1 1 A 57 57 LEU HA H 57 4.672 4.843 -0.171 1 1 640 . 14 1 1 A 57 57 LEU CA C 57 53.028 54.134 -1.106 1 1 641 . 14 1 1 A 57 57 LEU CB C 57 46.231 45.982 0.249 1 1 645 . 14 1 1 A 57 57 LEU N N 57 125.694 126.208 -0.514 1 1 646 . 14 1 1 A 58 58 GLU H H 58 8.890 9.053 -0.163 1 1 647 . 14 1 1 A 58 58 GLU HA H 58 4.535 4.675 -0.140 1 1 652 . 14 1 1 A 58 58 GLU CA C 58 55.733 56.281 -0.548 1 1 653 . 14 1 1 A 58 58 GLU CB C 58 27.970 30.834 -2.864 1 1 655 . 14 1 1 A 58 58 GLU N N 58 127.677 128.663 -0.986 1 1 656 . 14 1 1 A 59 59 SER H H 59 7.772 8.967 -1.195 1 1 657 . 14 1 1 A 59 59 SER HA H 59 4.970 4.983 -0.013 1 1 661 . 14 1 1 A 59 59 SER CA C 59 57.576 56.258 1.318 1 1 662 . 14 1 1 A 59 59 SER CB C 59 69.174 66.294 2.880 1 1 663 . 14 1 1 A 59 59 SER N N 59 121.860 119.196 2.664 1 1 664 . 14 1 1 A 60 60 GLN H H 60 9.336 8.548 0.788 1 1 665 . 14 1 1 A 60 60 GLN HA H 60 4.262 4.403 -0.141 1 1 672 . 14 1 1 A 60 60 GLN CA C 60 57.792 56.477 1.315 1 1 673 . 14 1 1 A 60 60 GLN CB C 60 29.669 28.795 0.874 1 1 675 . 14 1 1 A 60 60 GLN N N 60 119.522 116.533 2.989 1 1 677 . 14 1 1 A 61 61 ILE H H 61 8.007 7.562 0.445 1 1 678 . 14 1 1 A 61 61 ILE HA H 61 4.623 4.576 0.047 1 1 688 . 14 1 1 A 61 61 ILE CA C 61 59.813 60.285 -0.472 1 1 689 . 14 1 1 A 61 61 ILE CB C 61 37.013 39.286 -2.273 1 1 693 . 14 1 1 A 61 61 ILE N N 61 109.398 113.525 -4.127 1 1 694 . 14 1 1 A 62 62 GLY H H 62 7.223 7.147 0.076 1 1 695 . 14 1 1 A 62 62 GLY HA2 H 62 4.493 4.058 0.435 1 1 696 . 14 1 1 A 62 62 GLY HA3 H 62 3.872 4.065 -0.193 1 1 697 . 14 1 1 A 62 62 GLY CA C 62 43.022 44.315 -1.293 1 1 698 . 14 1 1 A 62 62 GLY N N 62 109.035 109.432 -0.397 1 1 699 . 14 1 1 A 63 63 THR H H 63 8.910 8.442 0.468 1 1 700 . 14 1 1 A 63 63 THR HA H 63 4.599 4.741 -0.142 1 1 705 . 14 1 1 A 63 63 THR CA C 63 64.037 62.916 1.121 1 1 706 . 14 1 1 A 63 63 THR CB C 63 68.111 69.724 -1.613 1 1 708 . 14 1 1 A 63 63 THR N N 63 119.711 116.399 3.312 1 1 709 . 14 1 1 A 64 64 LEU H H 64 9.070 9.004 0.066 1 1 710 . 14 1 1 A 64 64 LEU HA H 64 5.120 5.269 -0.149 1 1 720 . 14 1 1 A 64 64 LEU CA C 64 52.680 52.617 0.063 1 1 721 . 14 1 1 A 64 64 LEU CB C 64 44.749 45.927 -1.178 1 1 725 . 14 1 1 A 64 64 LEU N N 64 127.640 123.475 4.165 1 1 726 . 14 1 1 A 65 65 ARG H H 65 9.271 8.629 0.642 1 1 727 . 14 1 1 A 65 65 ARG HA H 65 4.989 4.841 0.148 1 1 735 . 14 1 1 A 65 65 ARG CA C 65 54.814 55.408 -0.594 1 1 736 . 14 1 1 A 65 65 ARG CB C 65 31.836 33.350 -1.514 1 1 739 . 14 1 1 A 65 65 ARG N N 65 122.680 119.181 3.499 1 1 741 . 14 1 1 A 66 66 MET H H 66 9.310 9.079 0.231 1 1 742 . 14 1 1 A 66 66 MET HA H 66 5.822 5.862 -0.040 1 1 747 . 14 1 1 A 66 66 MET CA C 66 53.936 54.034 -0.098 1 1 748 . 14 1 1 A 66 66 MET CB C 66 35.912 35.544 0.368 1 1 750 . 14 1 1 A 66 66 MET N N 66 125.309 126.182 -0.873 1 1 751 . 14 1 1 A 67 67 SER H H 67 8.943 8.688 0.255 1 1 752 . 14 1 1 A 67 67 SER HA H 67 4.660 4.909 -0.249 1 1 755 . 14 1 1 A 67 67 SER CA C 67 57.460 56.719 0.741 1 1 756 . 14 1 1 A 67 67 SER CB C 67 65.747 64.836 0.911 1 1 757 . 14 1 1 A 67 67 SER N N 67 112.115 115.319 -3.204 1 1 758 . 14 1 1 A 68 68 LEU H H 68 8.410 8.417 -0.007 1 1 759 . 14 1 1 A 68 68 LEU HA H 68 5.115 5.155 -0.040 1 1 769 . 14 1 1 A 68 68 LEU CA C 68 52.837 53.564 -0.727 1 1 770 . 14 1 1 A 68 68 LEU CB C 68 42.269 43.919 -1.650 1 1 774 . 14 1 1 A 68 68 LEU N N 68 118.367 123.408 -5.041 1 1 775 . 14 1 1 A 69 69 VAL H H 69 9.060 8.484 0.576 1 1 776 . 14 1 1 A 69 69 VAL HA H 69 4.440 4.569 -0.129 1 1 784 . 14 1 1 A 69 69 VAL CA C 69 59.852 59.465 0.387 1 1 785 . 14 1 1 A 69 69 VAL CB C 69 35.349 35.523 -0.174 1 1 788 . 14 1 1 A 69 69 VAL N N 69 119.888 118.483 1.405 1 1 789 . 14 1 1 A 70 70 ASN H H 70 8.651 8.759 -0.108 1 1 790 . 14 1 1 A 70 70 ASN HA H 70 4.345 4.213 0.132 1 1 795 . 14 1 1 A 70 70 ASN CA C 70 53.555 54.001 -0.446 1 1 796 . 14 1 1 A 70 70 ASN CB C 70 36.932 36.939 -0.007 1 1 797 . 14 1 1 A 70 70 ASN N N 70 119.166 117.857 1.309 1 1 799 . 14 1 1 A 71 71 ILE H H 71 8.449 8.029 0.420 1 1 800 . 14 1 1 A 71 71 ILE HA H 71 4.235 4.101 0.134 1 1 810 . 14 1 1 A 71 71 ILE CA C 71 63.104 61.754 1.350 1 1 811 . 14 1 1 A 71 71 ILE CB C 71 37.200 37.120 0.080 1 1 815 . 14 1 1 A 71 71 ILE N N 71 121.388 119.573 1.815 1 1 816 . 14 1 1 A 72 72 THR H H 72 9.511 8.855 0.656 1 1 817 . 14 1 1 A 72 72 THR HA H 72 4.967 5.130 -0.163 1 1 822 . 14 1 1 A 72 72 THR CA C 72 59.584 58.448 1.136 1 1 823 . 14 1 1 A 72 72 THR CB C 72 71.930 70.581 1.349 1 1 825 . 14 1 1 A 72 72 THR N N 72 125.726 117.855 7.871 1 1 826 . 14 1 1 A 73 73 PRO HA H 73 4.822 4.659 0.163 1 1 833 . 14 1 1 A 73 73 PRO CA C 73 63.362 62.817 0.545 1 1 834 . 14 1 1 A 73 73 PRO CB C 73 32.451 32.280 0.171 1 1 837 . 14 1 1 A 74 74 ASP H H 74 8.404 8.815 -0.411 1 1 838 . 14 1 1 A 74 74 ASP HA H 74 4.824 4.961 -0.137 1 1 841 . 14 1 1 A 74 74 ASP CA C 74 52.609 53.060 -0.451 1 1 842 . 14 1 1 A 74 74 ASP CB C 74 43.743 43.610 0.133 1 1 843 . 14 1 1 A 74 74 ASP N N 74 122.325 122.168 0.157 1 1 844 . 14 1 1 A 75 75 ALA H H 75 8.539 8.937 -0.398 1 1 845 . 14 1 1 A 75 75 ALA HA H 75 4.062 3.998 0.064 1 1 849 . 14 1 1 A 75 75 ALA CA C 75 54.431 54.839 -0.408 1 1 850 . 14 1 1 A 75 75 ALA CB C 75 18.117 18.403 -0.286 1 1 851 . 14 1 1 A 75 75 ALA N N 75 123.501 127.454 -3.953 1 1 852 . 14 1 1 A 76 76 ASP H H 76 8.356 8.207 0.149 1 1 853 . 14 1 1 A 76 76 ASP HA H 76 4.815 4.684 0.131 1 1 856 . 14 1 1 A 76 76 ASP CA C 76 53.161 54.868 -1.707 1 1 857 . 14 1 1 A 76 76 ASP CB C 76 41.234 42.670 -1.436 1 1 858 . 14 1 1 A 76 76 ASP N N 76 115.326 114.784 0.542 1 1 859 . 14 1 1 A 77 77 GLY H H 77 7.569 7.259 0.310 1 1 860 . 14 1 1 A 77 77 GLY HA2 H 77 3.925 4.098 -0.173 1 1 861 . 14 1 1 A 77 77 GLY HA3 H 77 4.508 4.106 0.402 1 1 862 . 14 1 1 A 77 77 GLY CA C 77 46.675 46.169 0.506 1 1 863 . 14 1 1 A 77 77 GLY N N 77 109.452 103.898 5.554 1 1 864 . 14 1 1 A 78 78 THR H H 78 8.272 8.378 -0.106 1 1 865 . 14 1 1 A 78 78 THR HA H 78 4.655 4.923 -0.268 1 1 870 . 14 1 1 A 78 78 THR CA C 78 63.204 61.148 2.056 1 1 871 . 14 1 1 A 78 78 THR CB C 78 72.222 71.762 0.460 1 1 873 . 14 1 1 A 78 78 THR N N 78 122.442 115.671 6.771 1 1 874 . 14 1 1 A 79 79 THR H H 79 9.027 8.876 0.151 1 1 875 . 14 1 1 A 79 79 THR HA H 79 5.164 5.409 -0.245 1 1 880 . 14 1 1 A 79 79 THR CA C 79 60.303 60.257 0.046 1 1 881 . 14 1 1 A 79 79 THR CB C 79 70.442 70.490 -0.048 1 1 883 . 14 1 1 A 79 79 THR N N 79 121.451 118.566 2.885 1 1 884 . 14 1 1 A 80 80 LEU H H 80 8.698 8.744 -0.046 1 1 885 . 14 1 1 A 80 80 LEU HA H 80 4.835 5.022 -0.187 1 1 895 . 14 1 1 A 80 80 LEU CA C 80 54.194 53.515 0.679 1 1 896 . 14 1 1 A 80 80 LEU CB C 80 44.576 45.797 -1.221 1 1 900 . 14 1 1 A 80 80 LEU N N 80 119.374 123.078 -3.704 1 1 901 . 14 1 1 A 81 81 THR H H 81 8.675 8.954 -0.279 1 1 902 . 14 1 1 A 81 81 THR HA H 81 4.740 4.509 0.231 1 1 907 . 14 1 1 A 81 81 THR CA C 81 61.838 62.478 -0.640 1 1 908 . 14 1 1 A 81 81 THR CB C 81 70.190 69.436 0.754 1 1 910 . 14 1 1 A 81 81 THR N N 81 116.982 117.549 -0.567 1 1 911 . 14 1 1 A 82 82 LEU H H 82 8.898 9.074 -0.176 1 1 912 . 14 1 1 A 82 82 LEU HA H 82 4.748 4.873 -0.125 1 1 922 . 14 1 1 A 82 82 LEU CA C 82 53.076 54.219 -1.143 1 1 923 . 14 1 1 A 82 82 LEU CB C 82 43.189 43.275 -0.086 1 1 927 . 14 1 1 A 82 82 LEU N N 82 130.905 130.157 0.748 1 1 928 . 14 1 1 A 83 83 ARG H H 83 9.162 8.979 0.183 1 1 929 . 14 1 1 A 83 83 ARG HA H 83 5.174 4.973 0.201 1 1 936 . 14 1 1 A 83 83 ARG CA C 83 54.441 55.158 -0.717 1 1 937 . 14 1 1 A 83 83 ARG CB C 83 31.332 32.184 -0.852 1 1 940 . 14 1 1 A 83 83 ARG N N 83 131.064 126.354 4.710 1 1 941 . 14 1 1 A 84 84 ILE H H 84 9.474 9.470 0.004 1 1 942 . 14 1 1 A 84 84 ILE HA H 84 4.611 4.685 -0.074 1 1 952 . 14 1 1 A 84 84 ILE CA C 84 60.486 60.660 -0.174 1 1 953 . 14 1 1 A 84 84 ILE CB C 84 40.120 38.478 1.642 1 1 957 . 14 1 1 A 84 84 ILE N N 84 128.394 123.472 4.922 1 1 958 . 14 1 1 A 85 85 GLN H H 85 9.137 9.011 0.126 1 1 959 . 14 1 1 A 85 85 GLN HA H 85 5.457 4.640 0.817 1 1 966 . 14 1 1 A 85 85 GLN CA C 85 53.109 55.687 -2.578 1 1 967 . 14 1 1 A 85 85 GLN CB C 85 32.450 29.325 3.125 1 1 969 . 14 1 1 A 85 85 GLN N N 85 124.857 126.787 -1.930 1 1 971 . 14 1 1 A 86 86 GLY H H 86 9.090 8.711 0.379 1 1 972 . 14 1 1 A 86 86 GLY HA2 H 86 3.813 4.028 -0.215 1 1 973 . 14 1 1 A 86 86 GLY HA3 H 86 4.499 4.042 0.457 1 1 974 . 14 1 1 A 86 86 GLY CA C 86 44.877 45.607 -0.730 1 1 975 . 14 1 1 A 86 86 GLY N N 86 110.702 112.023 -1.321 1 1 976 . 14 1 1 A 87 87 GLU H H 87 8.128 8.589 -0.461 1 1 977 . 14 1 1 A 87 87 GLU HA H 87 4.472 3.955 0.517 1 1 982 . 14 1 1 A 87 87 GLU CA C 87 56.057 59.264 -3.207 1 1 983 . 14 1 1 A 87 87 GLU CB C 87 29.943 29.503 0.440 1 1 985 . 14 1 1 A 87 87 GLU N N 87 120.445 123.240 -2.795 1 1 986 . 14 1 1 A 88 88 SER H H 88 8.063 7.782 0.281 1 1 987 . 14 1 1 A 88 88 SER HA H 88 4.469 4.401 0.068 1 1 990 . 14 1 1 A 88 88 SER CA C 88 57.472 60.233 -2.761 1 1 991 . 14 1 1 A 88 88 SER CB C 88 63.799 63.327 0.472 1 1 992 . 14 1 1 A 88 88 SER N N 88 113.821 115.386 -1.565 1 1 993 . 14 1 1 A 89 89 ASN H H 89 8.502 8.803 -0.301 1 1 994 . 14 1 1 A 89 89 ASN HA H 89 4.533 4.477 0.056 1 1 999 . 14 1 1 A 89 89 ASN CA C 89 53.715 56.211 -2.496 1 1 1000 . 14 1 1 A 89 89 ASN CB C 89 38.212 38.163 0.049 1 1 1001 . 14 1 1 A 89 89 ASN N N 89 119.482 125.750 -6.268 1 1 1003 . 14 1 1 A 90 90 ASP H H 90 8.104 7.681 0.423 1 1 1004 . 14 1 1 A 90 90 ASP HA H 90 5.061 4.816 0.245 1 1 1007 . 14 1 1 A 90 90 ASP CA C 90 51.392 52.654 -1.262 1 1 1008 . 14 1 1 A 90 90 ASP CB C 90 41.223 40.279 0.944 1 1 1009 . 14 1 1 A 90 90 ASP N N 90 119.891 118.407 1.484 1 1 1010 . 14 1 1 A 91 91 PRO HA H 91 4.156 4.450 -0.294 1 1 1017 . 14 1 1 A 91 91 PRO CA C 91 62.200 63.270 -1.070 1 1 1018 . 14 1 1 A 91 91 PRO CB C 91 30.844 31.925 -1.081 1 1 1021 . 14 1 1 A 92 92 LEU H H 92 8.206 8.448 -0.242 1 1 1022 . 14 1 1 A 92 92 LEU HA H 92 4.504 4.613 -0.109 1 1 1032 . 14 1 1 A 92 92 LEU CA C 92 52.697 53.066 -0.369 1 1 1033 . 14 1 1 A 92 92 LEU CB C 92 41.249 41.173 0.076 1 1 1037 . 14 1 1 A 92 92 LEU N N 92 123.954 123.569 0.385 1 1 1038 . 14 1 1 A 93 93 PRO HA H 93 4.808 4.621 0.187 1 1 1045 . 14 1 1 A 93 93 PRO CA C 93 61.122 62.338 -1.216 1 1 1046 . 14 1 1 A 93 93 PRO CB C 93 32.289 32.614 -0.325 1 1 1049 . 14 1 1 A 94 94 ALA H H 94 8.420 8.392 0.028 1 1 1050 . 14 1 1 A 94 94 ALA HA H 94 4.164 4.379 -0.215 1 1 1054 . 14 1 1 A 94 94 ALA CA C 94 52.655 52.743 -0.088 1 1 1055 . 14 1 1 A 94 94 ALA CB C 94 18.563 19.452 -0.889 1 1 1056 . 14 1 1 A 94 94 ALA N N 94 120.368 123.195 -2.827 1 1 1057 . 14 1 1 A 95 95 PHE H H 95 7.961 7.695 0.266 1 1 1058 . 14 1 1 A 95 95 PHE HA H 95 5.489 5.388 0.101 1 1 1066 . 14 1 1 A 95 95 PHE CA C 95 56.213 55.660 0.553 1 1 1067 . 14 1 1 A 95 95 PHE CB C 95 41.552 42.146 -0.594 1 1 1071 . 14 1 1 A 95 95 PHE N N 95 115.209 117.190 -1.981 1 1 1072 . 14 1 1 A 96 96 SER H H 96 9.231 9.506 -0.275 1 1 1073 . 14 1 1 A 96 96 SER HA H 96 5.427 5.730 -0.303 1 1 1076 . 14 1 1 A 96 96 SER CA C 96 55.549 56.295 -0.746 1 1 1077 . 14 1 1 A 96 96 SER CB C 96 66.681 66.273 0.408 1 1 1078 . 14 1 1 A 96 96 SER N N 96 114.106 114.408 -0.302 1 1 1079 . 14 1 1 A 97 97 GLY H H 97 8.269 8.436 -0.167 1 1 1080 . 14 1 1 A 97 97 GLY HA2 H 97 4.612 4.403 0.209 1 1 1081 . 14 1 1 A 97 97 GLY HA3 H 97 3.571 4.442 -0.871 1 1 1082 . 14 1 1 A 97 97 GLY CA C 97 45.139 44.852 0.287 1 1 1083 . 14 1 1 A 97 97 GLY N N 97 104.730 108.173 -3.443 1 1 1084 . 14 1 1 A 98 98 THR H H 98 8.068 8.643 -0.575 1 1 1085 . 14 1 1 A 98 98 THR HA H 98 4.836 4.773 0.063 1 1 1090 . 14 1 1 A 98 98 THR CA C 98 62.462 61.794 0.668 1 1 1091 . 14 1 1 A 98 98 THR CB C 98 70.240 68.990 1.250 1 1 1093 . 14 1 1 A 98 98 THR N N 98 115.596 116.775 -1.179 1 1 1094 . 14 1 1 A 99 99 VAL H H 99 9.016 8.985 0.031 1 1 1095 . 14 1 1 A 99 99 VAL HA H 99 5.040 4.906 0.134 1 1 1103 . 14 1 1 A 99 99 VAL CA C 99 59.695 60.608 -0.913 1 1 1104 . 14 1 1 A 99 99 VAL CB C 99 33.810 33.338 0.472 1 1 1107 . 14 1 1 A 99 99 VAL N N 99 124.571 122.894 1.677 1 1 1108 . 14 1 1 A 100 100 GLU H H 100 9.595 9.369 0.226 1 1 1109 . 14 1 1 A 100 100 GLU HA H 100 5.463 5.362 0.101 1 1 1114 . 14 1 1 A 100 100 GLU CA C 100 53.132 55.174 -2.042 1 1 1115 . 14 1 1 A 100 100 GLU CB C 100 31.806 31.546 0.260 1 1 1117 . 14 1 1 A 100 100 GLU N N 100 125.607 124.732 0.875 1 1 1118 . 14 1 1 A 101 101 TYR H H 101 8.576 8.582 -0.006 1 1 1119 . 14 1 1 A 101 101 TYR HA H 101 4.568 5.647 -1.079 1 1 1126 . 14 1 1 A 101 101 TYR CA C 101 54.809 55.187 -0.378 1 1 1127 . 14 1 1 A 101 101 TYR CB C 101 39.516 41.261 -1.745 1 1 1130 . 14 1 1 A 101 101 TYR N N 101 117.224 122.062 -4.838 1 1 1131 . 14 1 1 A 102 102 GLY H H 102 6.489 7.676 -1.187 1 1 1132 . 14 1 1 A 102 102 GLY HA2 H 102 3.948 4.202 -0.254 1 1 1133 . 14 1 1 A 102 102 GLY HA3 H 102 4.190 4.229 -0.039 1 1 1134 . 14 1 1 A 102 102 GLY CA C 102 46.509 45.903 0.606 1 1 1135 . 14 1 1 A 102 102 GLY N N 102 103.890 106.841 -2.951 1 1 1136 . 14 1 1 A 103 103 GLN H H 103 8.789 8.774 0.015 1 1 1137 . 14 1 1 A 103 103 GLN HA H 103 4.893 5.339 -0.446 1 1 1144 . 14 1 1 A 103 103 GLN CA C 103 54.742 54.243 0.499 1 1 1145 . 14 1 1 A 103 103 GLN CB C 103 31.972 32.751 -0.779 1 1 1147 . 14 1 1 A 103 103 GLN N N 103 121.055 120.498 0.557 1 1 1149 . 14 1 1 A 104 104 ILE H H 104 8.877 8.949 -0.072 1 1 1150 . 14 1 1 A 104 104 ILE HA H 104 5.033 4.730 0.303 1 1 1160 . 14 1 1 A 104 104 ILE CA C 104 59.495 60.340 -0.845 1 1 1161 . 14 1 1 A 104 104 ILE CB C 104 40.485 40.329 0.156 1 1 1165 . 14 1 1 A 104 104 ILE N N 104 119.483 121.627 -2.144 1 1 1166 . 14 1 1 A 105 105 GLN H H 105 8.807 8.437 0.370 1 1 1167 . 14 1 1 A 105 105 GLN HA H 105 4.785 4.578 0.207 1 1 1174 . 14 1 1 A 105 105 GLN CA C 105 53.586 55.495 -1.909 1 1 1175 . 14 1 1 A 105 105 GLN CB C 105 32.029 29.310 2.719 1 1 1177 . 14 1 1 A 105 105 GLN N N 105 126.014 122.746 3.268 1 1 1179 . 14 1 1 A 106 106 GLY H H 106 8.680 8.041 0.639 1 1 1180 . 14 1 1 A 106 106 GLY HA2 H 106 4.878 4.119 0.759 1 1 1181 . 14 1 1 A 106 106 GLY HA3 H 106 3.898 4.173 -0.275 1 1 1182 . 14 1 1 A 106 106 GLY CA C 106 43.994 44.919 -0.925 1 1 1183 . 14 1 1 A 106 106 GLY N N 106 111.899 109.595 2.304 1 1 1184 . 14 1 1 A 107 107 THR H H 107 7.984 8.540 -0.556 1 1 1185 . 14 1 1 A 107 107 THR HA H 107 4.571 4.695 -0.124 1 1 1190 . 14 1 1 A 107 107 THR CA C 107 59.611 60.204 -0.593 1 1 1191 . 14 1 1 A 107 107 THR CB C 107 71.146 71.444 -0.298 1 1 1193 . 14 1 1 A 107 107 THR N N 107 111.498 111.642 -0.144 1 1 1194 . 14 1 1 A 108 108 ILE H H 108 8.345 8.828 -0.483 1 1 1195 . 14 1 1 A 108 108 ILE HA H 108 3.775 3.586 0.189 1 1 1205 . 14 1 1 A 108 108 ILE CA C 108 62.916 63.733 -0.817 1 1 1206 . 14 1 1 A 108 108 ILE CB C 108 37.737 37.214 0.523 1 1 1210 . 14 1 1 A 108 108 ILE N N 108 117.576 121.849 -4.273 1 1 1211 . 14 1 1 A 109 109 ASP H H 109 7.753 7.451 0.302 1 1 1212 . 14 1 1 A 109 109 ASP HA H 109 4.564 4.581 -0.017 1 1 1215 . 14 1 1 A 109 109 ASP CA C 109 54.540 56.232 -1.692 1 1 1216 . 14 1 1 A 109 109 ASP CB C 109 41.360 41.964 -0.604 1 1 1217 . 14 1 1 A 109 109 ASP N N 109 116.045 120.286 -4.241 1 1 1218 . 14 1 1 A 110 110 ASN H H 110 7.719 7.805 -0.086 1 1 1219 . 14 1 1 A 110 110 ASN HA H 110 4.723 5.203 -0.480 1 1 1224 . 14 1 1 A 110 110 ASN CA C 110 53.036 52.535 0.501 1 1 1225 . 14 1 1 A 110 110 ASN CB C 110 38.443 41.019 -2.576 1 1 1226 . 14 1 1 A 110 110 ASN N N 110 119.075 113.991 5.084 1 1 1228 . 14 1 1 A 111 111 PHE H H 111 7.977 8.609 -0.632 1 1 1229 . 14 1 1 A 111 111 PHE HA H 111 5.249 5.244 0.005 1 1 1237 . 14 1 1 A 111 111 PHE CA C 111 56.627 55.809 0.818 1 1 1238 . 14 1 1 A 111 111 PHE CB C 111 40.215 42.505 -2.290 1 1 1242 . 14 1 1 A 111 111 PHE N N 111 122.138 118.177 3.961 1 1 1243 . 14 1 1 A 112 112 GLN H H 112 8.715 8.788 -0.073 1 1 1244 . 14 1 1 A 112 112 GLN HA H 112 4.540 4.931 -0.391 1 1 1251 . 14 1 1 A 112 112 GLN CA C 112 54.035 54.114 -0.079 1 1 1252 . 14 1 1 A 112 112 GLN CB C 112 31.861 32.205 -0.344 1 1 1254 . 14 1 1 A 112 112 GLN N N 112 119.575 118.479 1.096 1 1 1256 . 14 1 1 A 113 113 GLU H H 113 8.546 8.700 -0.154 1 1 1257 . 14 1 1 A 113 113 GLU HA H 113 4.780 4.715 0.065 1 1 1262 . 14 1 1 A 113 113 GLU CA C 113 55.412 56.358 -0.946 1 1 1263 . 14 1 1 A 113 113 GLU CB C 113 29.886 30.102 -0.216 1 1 1265 . 14 1 1 A 113 113 GLU N N 113 122.846 123.084 -0.238 1 1 1266 . 14 1 1 A 114 114 ILE H H 114 8.913 8.599 0.314 1 1 1267 . 14 1 1 A 114 114 ILE HA H 114 4.662 4.631 0.031 1 1 1277 . 14 1 1 A 114 114 ILE CA C 114 59.144 59.510 -0.366 1 1 1278 . 14 1 1 A 114 114 ILE CB C 114 41.873 40.469 1.404 1 1 1282 . 14 1 1 A 114 114 ILE N N 114 120.222 121.917 -1.695 1 1 1283 . 14 1 1 A 115 115 ASN H H 115 8.916 8.796 0.120 1 1 1284 . 14 1 1 A 115 115 ASN HA H 115 4.340 4.234 0.106 1 1 1289 . 14 1 1 A 115 115 ASN CA C 115 53.444 54.546 -1.102 1 1 1290 . 14 1 1 A 115 115 ASN CB C 115 36.467 37.005 -0.538 1 1 1291 . 14 1 1 A 115 115 ASN N N 115 120.916 118.768 2.148 1 1 1293 . 14 1 1 A 116 116 VAL H H 116 8.044 7.849 0.195 1 1 1294 . 14 1 1 A 116 116 VAL HA H 116 4.389 4.321 0.068 1 1 1302 . 14 1 1 A 116 116 VAL CA C 116 63.183 62.105 1.078 1 1 1303 . 14 1 1 A 116 116 VAL CB C 116 32.216 32.718 -0.502 1 1 1306 . 14 1 1 A 116 116 VAL N N 116 117.046 119.761 -2.715 1 1 1307 . 14 1 1 A 117 117 GLN H H 117 8.582 8.469 0.113 1 1 1308 . 14 1 1 A 117 117 GLN HA H 117 4.550 4.764 -0.214 1 1 1315 . 14 1 1 A 117 117 GLN CA C 117 53.827 53.919 -0.092 1 1 1316 . 14 1 1 A 117 117 GLN CB C 117 33.119 31.788 1.331 1 1 1318 . 14 1 1 A 117 117 GLN N N 117 127.086 126.415 0.671 1 1 1320 . 14 1 1 A 118 118 ASN H H 118 8.330 8.749 -0.419 1 1 1321 . 14 1 1 A 118 118 ASN HA H 118 5.845 6.091 -0.246 1 1 1326 . 14 1 1 A 118 118 ASN CA C 118 51.736 51.517 0.219 1 1 1327 . 14 1 1 A 118 118 ASN CB C 118 42.644 41.540 1.104 1 1 1328 . 14 1 1 A 118 118 ASN N N 118 113.251 116.746 -3.495 1 1 1330 . 14 1 1 A 119 119 GLN H H 119 9.187 8.681 0.506 1 1 1331 . 14 1 1 A 119 119 GLN HA H 119 4.693 4.803 -0.110 1 1 1338 . 14 1 1 A 119 119 GLN CA C 119 55.160 54.925 0.235 1 1 1339 . 14 1 1 A 119 119 GLN CB C 119 34.157 33.141 1.016 1 1 1341 . 14 1 1 A 119 119 GLN N N 119 116.799 119.665 -2.866 1 1 1343 . 14 1 1 A 120 120 LEU H H 120 8.544 9.034 -0.490 1 1 1344 . 14 1 1 A 120 120 LEU HA H 120 5.059 5.228 -0.169 1 1 1354 . 14 1 1 A 120 120 LEU CA C 120 54.327 53.664 0.663 1 1 1355 . 14 1 1 A 120 120 LEU CB C 120 42.839 42.786 0.053 1 1 1359 . 14 1 1 A 120 120 LEU N N 120 123.292 126.724 -3.432 1 1 1360 . 14 1 1 A 121 121 ILE H H 121 8.657 8.635 0.022 1 1 1361 . 14 1 1 A 121 121 ILE HA H 121 4.778 4.738 0.040 1 1 1371 . 14 1 1 A 121 121 ILE CA C 121 58.770 60.055 -1.285 1 1 1372 . 14 1 1 A 121 121 ILE CB C 121 41.582 38.793 2.789 1 1 1376 . 14 1 1 A 121 121 ILE N N 121 116.046 122.974 -6.928 1 1 1377 . 14 1 1 A 122 122 ASN H H 122 8.329 8.864 -0.535 1 1 1378 . 14 1 1 A 122 122 ASN HA H 122 5.068 5.230 -0.162 1 1 1383 . 14 1 1 A 122 122 ASN CA C 122 52.654 52.309 0.345 1 1 1384 . 14 1 1 A 122 122 ASN CB C 122 42.112 39.251 2.861 1 1 1385 . 14 1 1 A 122 122 ASN N N 122 118.416 126.123 -7.707 1 1 1387 . 14 1 1 A 123 123 ALA H H 123 8.547 8.593 -0.046 1 1 1388 . 14 1 1 A 123 123 ALA HA H 123 4.597 4.552 0.045 1 1 1392 . 14 1 1 A 123 123 ALA CA C 123 48.537 50.149 -1.612 1 1 1393 . 14 1 1 A 123 123 ALA CB C 123 19.998 18.063 1.935 1 1 1394 . 14 1 1 A 123 123 ALA N N 123 124.108 128.104 -3.996 1 1 1395 . 14 1 1 A 124 124 PRO HA H 124 4.537 4.502 0.035 1 1 1402 . 14 1 1 A 124 124 PRO CA C 124 60.979 62.405 -1.426 1 1 1403 . 14 1 1 A 124 124 PRO CB C 124 32.285 32.375 -0.090 1 1 1406 . 14 1 1 A 125 125 ALA H H 125 8.587 8.303 0.284 1 1 1407 . 14 1 1 A 125 125 ALA HA H 125 3.899 4.733 -0.834 1 1 1411 . 14 1 1 A 125 125 ALA CA C 125 52.692 51.106 1.586 1 1 1412 . 14 1 1 A 125 125 ALA CB C 125 18.631 20.185 -1.554 1 1 1413 . 14 1 1 A 125 125 ALA N N 125 121.333 123.605 -2.272 1 1 1414 . 14 1 1 A 126 126 SER H H 126 8.227 8.917 -0.690 1 1 1415 . 14 1 1 A 126 126 SER HA H 126 4.616 4.582 0.034 1 1 1418 . 14 1 1 A 126 126 SER CA C 126 59.168 57.318 1.850 1 1 1419 . 14 1 1 A 126 126 SER CB C 126 64.636 64.106 0.530 1 1 1420 . 14 1 1 A 126 126 SER N N 126 118.947 118.120 0.827 1 1 1421 . 14 1 1 A 127 127 VAL H H 127 8.595 8.809 -0.214 1 1 1422 . 14 1 1 A 127 127 VAL HA H 127 4.276 4.527 -0.251 1 1 1430 . 14 1 1 A 127 127 VAL CA C 127 62.194 61.079 1.115 1 1 1431 . 14 1 1 A 127 127 VAL CB C 127 32.852 32.964 -0.112 1 1 1434 . 14 1 1 A 127 127 VAL N N 127 117.209 122.296 -5.087 1 1 1435 . 14 1 1 A 128 128 LEU H H 128 7.844 7.113 0.731 1 1 1436 . 14 1 1 A 128 128 LEU HA H 128 4.588 4.833 -0.245 1 1 1446 . 14 1 1 A 128 128 LEU CA C 128 53.639 53.288 0.351 1 1 1447 . 14 1 1 A 128 128 LEU CB C 128 44.574 46.534 -1.960 1 1 1451 . 14 1 1 A 128 128 LEU N N 128 121.103 121.972 -0.869 1 1 1452 . 14 1 1 A 129 129 ALA H H 129 8.377 8.860 -0.483 1 1 1453 . 14 1 1 A 129 129 ALA HA H 129 4.538 4.847 -0.309 1 1 1457 . 14 1 1 A 129 129 ALA CA C 129 53.476 49.577 3.899 1 1 1458 . 14 1 1 A 129 129 ALA CB C 129 20.982 22.467 -1.485 1 1 1459 . 14 1 1 A 129 129 ALA N N 129 123.679 122.240 1.439 1 1 1460 . 14 1 1 A 130 130 PRO HA H 130 4.669 5.012 -0.343 1 1 1467 . 14 1 1 A 130 130 PRO CA C 130 62.314 62.354 -0.040 1 1 1468 . 14 1 1 A 130 130 PRO CB C 130 33.473 32.403 1.070 1 1 1471 . 14 1 1 A 131 131 SER H H 131 9.365 8.154 1.211 1 1 1472 . 14 1 1 A 131 131 SER HA H 131 4.520 4.692 -0.172 1 1 1475 . 14 1 1 A 131 131 SER CA C 131 59.385 57.444 1.941 1 1 1476 . 14 1 1 A 131 131 SER CB C 131 63.866 62.703 1.163 1 1 1477 . 14 1 1 A 131 131 SER N N 131 122.226 116.282 5.944 1 1 1478 . 14 1 1 A 132 132 ASP H H 132 8.608 8.437 0.171 1 1 1479 . 14 1 1 A 132 132 ASP HA H 132 5.260 5.875 -0.615 1 1 1482 . 14 1 1 A 132 132 ASP CA C 132 53.345 52.501 0.844 1 1 1483 . 14 1 1 A 132 132 ASP CB C 132 41.791 42.452 -0.661 1 1 1484 . 14 1 1 A 132 132 ASP N N 132 124.814 125.471 -0.657 1 1 1485 . 14 1 1 A 133 133 VAL H H 133 9.405 9.117 0.288 1 1 1486 . 14 1 1 A 133 133 VAL HA H 133 4.226 4.611 -0.385 1 1 1494 . 14 1 1 A 133 133 VAL CA C 133 61.669 61.249 0.420 1 1 1495 . 14 1 1 A 133 133 VAL CB C 133 34.448 32.973 1.475 1 1 1498 . 14 1 1 A 133 133 VAL N N 133 127.192 125.320 1.872 1 1 1499 . 14 1 1 A 134 134 ASP H H 134 8.468 8.744 -0.276 1 1 1500 . 14 1 1 A 134 134 ASP HA H 134 5.368 5.397 -0.029 1 1 1503 . 14 1 1 A 134 134 ASP CA C 134 52.326 53.010 -0.684 1 1 1504 . 14 1 1 A 134 134 ASP CB C 134 41.245 43.343 -2.098 1 1 1505 . 14 1 1 A 134 134 ASP N N 134 127.161 125.856 1.305 1 1 1506 . 14 1 1 A 135 135 ILE H H 135 9.406 8.658 0.748 1 1 1507 . 14 1 1 A 135 135 ILE HA H 135 4.636 4.873 -0.237 1 1 1517 . 14 1 1 A 135 135 ILE CA C 135 57.478 57.055 0.423 1 1 1518 . 14 1 1 A 135 135 ILE CB C 135 39.411 40.974 -1.563 1 1 1522 . 14 1 1 A 135 135 ILE N N 135 125.603 118.346 7.257 1 1 1523 . 14 1 1 A 136 136 PRO HA H 136 4.844 4.747 0.097 1 1 1530 . 14 1 1 A 136 136 PRO CA C 136 62.314 62.498 -0.184 1 1 1531 . 14 1 1 A 136 136 PRO CB C 136 31.563 31.694 -0.131 1 1 1534 . 14 1 1 A 137 137 LEU H H 137 9.196 8.623 0.573 1 1 1535 . 14 1 1 A 137 137 LEU HA H 137 4.739 4.771 -0.032 1 1 1545 . 14 1 1 A 137 137 LEU CA C 137 53.609 53.907 -0.298 1 1 1546 . 14 1 1 A 137 137 LEU CB C 137 45.473 42.768 2.705 1 1 1550 . 14 1 1 A 137 137 LEU N N 137 124.087 123.593 0.494 1 1 1551 . 14 1 1 A 138 138 GLN H H 138 8.928 8.905 0.023 1 1 1552 . 14 1 1 A 138 138 GLN HA H 138 4.581 4.676 -0.095 1 1 1559 . 14 1 1 A 138 138 GLN CA C 138 54.780 54.723 0.057 1 1 1560 . 14 1 1 A 138 138 GLN CB C 138 29.048 29.956 -0.908 1 1 1562 . 14 1 1 A 138 138 GLN N N 138 122.528 126.829 -4.301 1 1 1564 . 14 1 1 A 139 139 LEU H H 139 9.039 8.795 0.244 1 1 1565 . 14 1 1 A 139 139 LEU HA H 139 4.205 4.476 -0.271 1 1 1575 . 14 1 1 A 139 139 LEU CA C 139 52.367 53.720 -1.353 1 1 1576 . 14 1 1 A 139 139 LEU CB C 139 38.673 42.450 -3.777 1 1 1580 . 14 1 1 A 139 139 LEU N N 139 127.667 127.791 -0.124 1 1 1581 . 14 1 1 A 140 140 LYS H H 140 8.078 8.513 -0.435 1 1 1582 . 14 1 1 A 140 140 LYS HA H 140 4.352 4.750 -0.398 1 1 1591 . 14 1 1 A 140 140 LYS CA C 140 56.826 54.732 2.094 1 1 1592 . 14 1 1 A 140 140 LYS CB C 140 32.657 35.770 -3.113 1 1 1596 . 14 1 1 A 140 140 LYS N N 140 124.108 121.708 2.400 1 1 1597 . 14 1 1 A 141 141 GLY H H 141 9.166 8.865 0.301 1 1 1598 . 14 1 1 A 141 141 GLY HA2 H 141 3.788 3.913 -0.125 1 1 1599 . 14 1 1 A 141 141 GLY HA3 H 141 4.119 3.926 0.193 1 1 1600 . 14 1 1 A 141 141 GLY CA C 141 45.682 46.340 -0.658 1 1 1601 . 14 1 1 A 141 141 GLY N N 141 110.698 111.492 -0.794 1 1 1602 . 14 1 1 A 142 142 ILE H H 142 7.112 7.824 -0.712 1 1 1603 . 14 1 1 A 142 142 ILE HA H 142 4.600 4.734 -0.134 1 1 1613 . 14 1 1 A 142 142 ILE CA C 142 58.547 59.801 -1.254 1 1 1614 . 14 1 1 A 142 142 ILE CB C 142 40.437 41.613 -1.176 1 1 1618 . 14 1 1 A 142 142 ILE N N 142 117.928 120.211 -2.283 1 1 1619 . 14 1 1 A 143 143 SER H H 143 8.381 9.058 -0.677 1 1 1620 . 14 1 1 A 143 143 SER HA H 143 4.613 4.771 -0.158 1 1 1623 . 14 1 1 A 143 143 SER CA C 143 56.654 57.905 -1.251 1 1 1624 . 14 1 1 A 143 143 SER CB C 143 65.051 64.791 0.260 1 1 1625 . 14 1 1 A 143 143 SER N N 143 123.373 124.883 -1.510 1 1 1626 . 14 1 1 A 144 144 VAL H H 144 8.702 8.556 0.146 1 1 1627 . 14 1 1 A 144 144 VAL HA H 144 3.593 3.820 -0.227 1 1 1635 . 14 1 1 A 144 144 VAL CA C 144 65.655 65.194 0.461 1 1 1636 . 14 1 1 A 144 144 VAL CB C 144 31.434 31.742 -0.308 1 1 1639 . 14 1 1 A 144 144 VAL N N 144 120.791 126.359 -5.568 1 1 1640 . 14 1 1 A 145 145 ASP H H 145 8.151 8.191 -0.040 1 1 1641 . 14 1 1 A 145 145 ASP HA H 145 4.435 4.430 0.005 1 1 1644 . 14 1 1 A 145 145 ASP CA C 145 55.211 56.513 -1.302 1 1 1645 . 14 1 1 A 145 145 ASP CB C 145 40.268 40.709 -0.441 1 1 1646 . 14 1 1 A 145 145 ASP N N 145 115.698 120.714 -5.016 1 1 1647 . 14 1 1 A 146 146 GLN H H 146 7.553 7.392 0.161 1 1 1648 . 14 1 1 A 146 146 GLN HA H 146 4.302 4.390 -0.088 1 1 1655 . 14 1 1 A 146 146 GLN CA C 146 55.072 55.556 -0.484 1 1 1656 . 14 1 1 A 146 146 GLN CB C 146 29.990 29.817 0.173 1 1 1658 . 14 1 1 A 146 146 GLN N N 146 117.118 116.071 1.047 1 1 1660 . 14 1 1 A 147 147 LEU H H 147 7.368 7.210 0.158 1 1 1661 . 14 1 1 A 147 147 LEU HA H 147 4.119 4.395 -0.276 1 1 1671 . 14 1 1 A 147 147 LEU CA C 147 54.904 55.090 -0.186 1 1 1672 . 14 1 1 A 147 147 LEU CB C 147 40.355 42.824 -2.469 1 1 1676 . 14 1 1 A 147 147 LEU N N 147 121.541 122.746 -1.205 1 1 1677 . 14 1 1 A 148 148 GLY H H 148 8.791 8.772 0.019 1 1 1678 . 14 1 1 A 148 148 GLY HA2 H 148 4.512 3.959 0.553 1 1 1679 . 14 1 1 A 148 148 GLY HA3 H 148 3.997 4.034 -0.037 1 1 1680 . 14 1 1 A 148 148 GLY CA C 148 45.610 46.869 -1.259 1 1 1681 . 14 1 1 A 148 148 GLY N N 148 116.322 113.281 3.041 1 1 1682 . 14 1 1 A 149 149 PHE H H 149 7.790 7.924 -0.134 1 1 1683 . 14 1 1 A 149 149 PHE HA H 149 5.215 5.290 -0.075 1 1 1691 . 14 1 1 A 149 149 PHE CA C 149 56.942 56.078 0.864 1 1 1692 . 14 1 1 A 149 149 PHE CB C 149 42.019 42.918 -0.899 1 1 1696 . 14 1 1 A 149 149 PHE N N 149 113.675 113.340 0.335 1 1 1697 . 14 1 1 A 150 150 VAL H H 150 8.549 9.007 -0.458 1 1 1698 . 14 1 1 A 150 150 VAL HA H 150 4.776 4.883 -0.107 1 1 1706 . 14 1 1 A 150 150 VAL CA C 150 61.068 61.546 -0.478 1 1 1707 . 14 1 1 A 150 150 VAL CB C 150 34.594 33.992 0.602 1 1 1710 . 14 1 1 A 150 150 VAL N N 150 118.208 120.170 -1.962 1 1 1711 . 14 1 1 A 151 151 ARG H H 151 9.953 9.449 0.504 1 1 1712 . 14 1 1 A 151 151 ARG HA H 151 5.783 5.344 0.439 1 1 1719 . 14 1 1 A 151 151 ARG CA C 151 53.530 54.998 -1.468 1 1 1720 . 14 1 1 A 151 151 ARG CB C 151 33.540 31.861 1.679 1 1 1723 . 14 1 1 A 151 151 ARG N N 151 128.446 128.963 -0.517 1 1 1724 . 14 1 1 A 152 152 ILE H H 152 8.905 9.007 -0.102 1 1 1725 . 14 1 1 A 152 152 ILE HA H 152 5.188 5.098 0.090 1 1 1735 . 14 1 1 A 152 152 ILE CA C 152 60.464 60.336 0.128 1 1 1736 . 14 1 1 A 152 152 ILE CB C 152 39.542 39.912 -0.370 1 1 1740 . 14 1 1 A 152 152 ILE N N 152 127.149 128.286 -1.137 1 1 1741 . 14 1 1 A 153 153 HIS H H 153 8.941 8.195 0.746 1 1 1742 . 14 1 1 A 153 153 HIS HA H 153 5.074 4.929 0.145 1 1 1747 . 14 1 1 A 153 153 HIS CA C 153 53.417 54.692 -1.275 1 1 1748 . 14 1 1 A 153 153 HIS CB C 153 31.734 31.904 -0.170 1 1 1751 . 14 1 1 A 153 153 HIS N N 153 119.132 122.465 -3.333 1 1 1752 . 14 1 1 A 154 154 ASP H H 154 9.109 8.810 0.299 1 1 1753 . 14 1 1 A 154 154 ASP HA H 154 4.276 4.076 0.200 1 1 1756 . 14 1 1 A 154 154 ASP CA C 154 55.630 55.041 0.589 1 1 1757 . 14 1 1 A 154 154 ASP CB C 154 39.450 39.131 0.319 1 1 1758 . 14 1 1 A 154 154 ASP N N 154 116.420 116.778 -0.358 1 1 1759 . 14 1 1 A 155 155 ILE H H 155 8.062 8.005 0.057 1 1 1760 . 14 1 1 A 155 155 ILE HA H 155 5.051 4.181 0.870 1 1 1770 . 14 1 1 A 155 155 ILE CA C 155 59.666 61.520 -1.854 1 1 1771 . 14 1 1 A 155 155 ILE CB C 155 35.757 36.961 -1.204 1 1 1775 . 14 1 1 A 155 155 ILE N N 155 119.131 119.796 -0.665 1 1 1776 . 14 1 1 A 156 156 GLN H H 156 9.011 8.859 0.152 1 1 1777 . 14 1 1 A 156 156 GLN HA H 156 4.993 5.030 -0.037 1 1 1784 . 14 1 1 A 156 156 GLN CA C 156 51.975 52.865 -0.890 1 1 1785 . 14 1 1 A 156 156 GLN CB C 156 31.210 31.555 -0.345 1 1 1787 . 14 1 1 A 156 156 GLN N N 156 127.177 124.766 2.411 1 1 1789 . 14 1 1 A 157 157 PRO HA H 157 4.964 4.817 0.147 1 1 1796 . 14 1 1 A 157 157 PRO CA C 157 61.770 62.528 -0.758 1 1 1797 . 14 1 1 A 157 157 PRO CB C 157 31.637 32.650 -1.013 1 1 1800 . 14 1 1 A 158 158 VAL H H 158 7.921 8.265 -0.344 1 1 1801 . 14 1 1 A 158 158 VAL HA H 158 4.107 4.389 -0.282 1 1 1809 . 14 1 1 A 158 158 VAL CA C 158 62.234 60.585 1.649 1 1 1810 . 14 1 1 A 158 158 VAL CB C 158 32.610 33.228 -0.618 1 1 1813 . 14 1 1 A 158 158 VAL N N 158 121.642 117.831 3.811 1 1 1814 . 14 1 1 A 159 159 MET H H 159 8.544 8.714 -0.170 1 1 1815 . 14 1 1 A 159 159 MET HA H 159 4.548 4.078 0.470 1 1 1820 . 14 1 1 A 159 159 MET CA C 159 54.731 56.700 -1.969 1 1 1821 . 14 1 1 A 159 159 MET CB C 159 32.547 31.132 1.415 1 1 1823 . 14 1 1 A 159 159 MET N N 159 124.452 118.822 5.630 1 1 1824 . 14 1 1 A 160 160 GLN H H 160 8.434 7.754 0.680 1 1 1825 . 14 1 1 A 160 160 GLN HA H 160 4.354 4.460 -0.106 1 1 1832 . 14 1 1 A 160 160 GLN CA C 160 55.399 55.894 -0.495 1 1 1833 . 14 1 1 A 160 160 GLN CB C 160 29.112 29.524 -0.412 1 1 1835 . 14 1 1 A 160 160 GLN N N 160 121.917 117.110 4.807 1 1 1837 . 14 1 1 A 161 161 LEU H H 161 8.325 8.283 0.042 1 1 1838 . 14 1 1 A 161 161 LEU HA H 161 4.314 4.359 -0.045 1 1 1848 . 14 1 1 A 161 161 LEU CA C 161 55.040 54.810 0.230 1 1 1849 . 14 1 1 A 161 161 LEU CB C 161 42.225 43.246 -1.021 1 1 1853 . 14 1 1 A 161 161 LEU N N 161 123.826 124.461 -0.635 1 1 1854 . 14 1 1 A 162 162 GLU H H 162 8.358 8.426 -0.068 1 1 1855 . 14 1 1 A 162 162 GLU HA H 162 4.216 4.142 0.074 1 1 1860 . 14 1 1 A 162 162 GLU CA C 162 56.343 56.683 -0.340 1 1 1861 . 14 1 1 A 162 162 GLU CB C 162 30.083 30.059 0.024 1 1 1863 . 14 1 1 A 162 162 GLU N N 162 121.293 122.941 -1.648 1 1 1864 . 14 1 1 A 163 163 HIS H H 163 8.376 8.908 -0.532 1 1 1865 . 14 1 1 A 163 163 HIS HA H 163 4.641 5.094 -0.453 1 1 1868 . 14 1 1 A 163 163 HIS CA C 163 55.437 54.297 1.140 1 1 1869 . 14 1 1 A 163 163 HIS CB C 163 29.412 30.390 -0.978 1 1 1870 . 14 1 1 A 163 163 HIS N N 163 121.307 121.299 0.008 1 1 1871 . 14 1 1 A 164 164 HIS H H 164 8.289 8.922 -0.633 1 1 1872 . 14 1 1 A 164 164 HIS N N 164 125.228 123.712 1.516 1 1 1873 . 14 1 1 A 166 166 HIS HA H 166 4.300 5.155 -0.855 1 1 1876 . 14 1 1 A 166 166 HIS CA C 166 55.708 53.724 1.984 1 1 1877 . 14 1 1 A 166 166 HIS CB C 166 29.207 31.589 -2.382 1 1 1878 . 14 1 1 A 167 167 HIS H H 167 8.591 8.577 0.014 1 1 1879 . 14 1 1 A 167 167 HIS HA H 167 4.541 4.440 0.101 1 1 1882 . 14 1 1 A 167 167 HIS CA C 167 54.678 56.823 -2.145 1 1 1883 . 14 1 1 A 167 167 HIS CB C 167 26.256 29.999 -3.743 1 1 1884 . 14 1 1 A 167 167 HIS N N 167 121.317 118.724 2.593 1 1 1 . 15 1 1 A 2 2 VAL HA H 2 3.850 4.944 -1.094 1 1 9 . 15 1 1 A 2 2 VAL CA C 2 61.400 59.425 1.975 1 1 10 . 15 1 1 A 2 2 VAL CB C 2 32.400 34.413 -2.013 1 1 13 . 15 1 1 A 3 3 GLN HA H 3 4.445 4.763 -0.318 1 1 18 . 15 1 1 A 3 3 GLN CA C 3 55.467 53.957 1.510 1 1 19 . 15 1 1 A 3 3 GLN CB C 3 29.271 31.955 -2.684 1 1 21 . 15 1 1 A 4 4 GLN H H 4 8.703 8.569 0.134 1 1 22 . 15 1 1 A 4 4 GLN HA H 4 4.356 4.389 -0.033 1 1 27 . 15 1 1 A 4 4 GLN CA C 4 55.961 55.722 0.239 1 1 28 . 15 1 1 A 4 4 GLN CB C 4 29.178 29.314 -0.136 1 1 30 . 15 1 1 A 4 4 GLN N N 4 123.281 122.987 0.294 1 1 31 . 15 1 1 A 5 5 SER H H 5 8.426 8.398 0.028 1 1 32 . 15 1 1 A 5 5 SER HA H 5 4.424 5.180 -0.756 1 1 35 . 15 1 1 A 5 5 SER CA C 5 58.498 56.804 1.694 1 1 36 . 15 1 1 A 5 5 SER CB C 5 63.534 65.418 -1.884 1 1 37 . 15 1 1 A 5 5 SER N N 5 116.845 115.603 1.242 1 1 38 . 15 1 1 A 6 6 GLU H H 6 8.434 8.511 -0.077 1 1 39 . 15 1 1 A 6 6 GLU HA H 6 4.342 4.535 -0.193 1 1 44 . 15 1 1 A 6 6 GLU CA C 6 56.410 55.940 0.470 1 1 45 . 15 1 1 A 6 6 GLU CB C 6 29.873 28.772 1.101 1 1 47 . 15 1 1 A 6 6 GLU N N 6 122.965 125.264 -2.299 1 1 48 . 15 1 1 A 7 7 VAL H H 7 8.131 8.042 0.089 1 1 49 . 15 1 1 A 7 7 VAL HA H 7 4.063 4.597 -0.534 1 1 57 . 15 1 1 A 7 7 VAL CA C 7 62.213 61.012 1.201 1 1 58 . 15 1 1 A 7 7 VAL CB C 7 32.391 33.224 -0.833 1 1 61 . 15 1 1 A 7 7 VAL N N 7 121.508 119.229 2.279 1 1 62 . 15 1 1 A 8 8 ARG H H 8 8.376 8.425 -0.049 1 1 63 . 15 1 1 A 8 8 ARG HA H 8 4.335 4.597 -0.262 1 1 70 . 15 1 1 A 8 8 ARG CA C 8 56.013 55.059 0.954 1 1 71 . 15 1 1 A 8 8 ARG CB C 8 30.528 32.164 -1.636 1 1 74 . 15 1 1 A 8 8 ARG N N 8 124.504 123.144 1.360 1 1 75 . 15 1 1 A 9 9 GLN H H 9 8.360 8.326 0.034 1 1 76 . 15 1 1 A 9 9 GLN HA H 9 4.353 4.666 -0.313 1 1 81 . 15 1 1 A 9 9 GLN CA C 9 55.446 54.538 0.908 1 1 82 . 15 1 1 A 9 9 GLN CB C 9 29.236 29.294 -0.058 1 1 84 . 15 1 1 A 9 9 GLN N N 9 121.537 120.647 0.890 1 1 85 . 15 1 1 A 10 10 MET H H 10 8.391 8.553 -0.162 1 1 86 . 15 1 1 A 10 10 MET HA H 10 4.459 5.083 -0.624 1 1 91 . 15 1 1 A 10 10 MET CA C 10 55.062 53.215 1.847 1 1 92 . 15 1 1 A 10 10 MET CB C 10 32.482 36.620 -4.138 1 1 94 . 15 1 1 A 10 10 MET N N 10 122.199 114.700 7.499 1 1 95 . 15 1 1 A 11 11 LYS H H 11 8.317 8.761 -0.444 1 1 96 . 15 1 1 A 11 11 LYS HA H 11 4.296 4.945 -0.649 1 1 105 . 15 1 1 A 11 11 LYS CA C 11 56.114 54.562 1.552 1 1 106 . 15 1 1 A 11 11 LYS CB C 11 32.372 35.522 -3.150 1 1 110 . 15 1 1 A 11 11 LYS N N 11 122.440 117.338 5.102 1 1 111 . 15 1 1 A 12 12 HIS H H 12 8.489 8.704 -0.215 1 1 112 . 15 1 1 A 12 12 HIS HA H 12 4.748 4.518 0.230 1 1 116 . 15 1 1 A 12 12 HIS CA C 12 55.052 55.498 -0.446 1 1 117 . 15 1 1 A 12 12 HIS CB C 12 29.094 30.837 -1.743 1 1 119 . 15 1 1 A 12 12 HIS N N 12 119.934 118.548 1.386 1 1 120 . 15 1 1 A 13 13 SER H H 13 8.401 8.721 -0.320 1 1 121 . 15 1 1 A 13 13 SER HA H 13 4.518 4.601 -0.083 1 1 124 . 15 1 1 A 13 13 SER CA C 13 57.855 57.876 -0.021 1 1 125 . 15 1 1 A 13 13 SER CB C 13 63.750 64.618 -0.868 1 1 126 . 15 1 1 A 13 13 SER N N 13 117.596 114.561 3.035 1 1 127 . 15 1 1 A 14 14 VAL H H 14 8.285 8.400 -0.115 1 1 128 . 15 1 1 A 14 14 VAL HA H 14 4.239 4.470 -0.231 1 1 136 . 15 1 1 A 14 14 VAL CA C 14 62.078 61.596 0.482 1 1 137 . 15 1 1 A 14 14 VAL CB C 14 32.564 34.505 -1.941 1 1 140 . 15 1 1 A 14 14 VAL N N 14 121.378 123.086 -1.708 1 1 141 . 15 1 1 A 15 15 SER H H 15 8.419 8.933 -0.514 1 1 142 . 15 1 1 A 15 15 SER HA H 15 4.556 4.600 -0.044 1 1 145 . 15 1 1 A 15 15 SER CA C 15 57.855 57.446 0.409 1 1 146 . 15 1 1 A 15 15 SER CB C 15 63.600 62.929 0.671 1 1 147 . 15 1 1 A 15 15 SER N N 15 119.022 123.064 -4.042 1 1 148 . 15 1 1 A 16 16 THR H H 16 8.189 7.942 0.247 1 1 149 . 15 1 1 A 16 16 THR HA H 16 4.362 4.760 -0.398 1 1 154 . 15 1 1 A 16 16 THR CA C 16 61.510 60.816 0.694 1 1 155 . 15 1 1 A 16 16 THR CB C 16 69.292 70.026 -0.734 1 1 157 . 15 1 1 A 16 16 THR N N 16 116.040 118.955 -2.915 1 1 158 . 15 1 1 A 17 17 LEU H H 17 8.168 8.567 -0.399 1 1 159 . 15 1 1 A 17 17 LEU HA H 17 4.331 4.301 0.030 1 1 169 . 15 1 1 A 17 17 LEU CA C 17 55.446 55.129 0.317 1 1 170 . 15 1 1 A 17 17 LEU CB C 17 42.032 42.337 -0.305 1 1 174 . 15 1 1 A 17 17 LEU N N 17 123.796 125.108 -1.312 1 1 175 . 15 1 1 A 18 18 ASN H H 18 8.406 8.598 -0.192 1 1 176 . 15 1 1 A 18 18 ASN HA H 18 4.685 4.920 -0.235 1 1 181 . 15 1 1 A 18 18 ASN CA C 18 53.276 52.792 0.484 1 1 182 . 15 1 1 A 18 18 ASN CB C 18 38.462 38.569 -0.107 1 1 183 . 15 1 1 A 18 18 ASN N N 18 119.197 121.790 -2.593 1 1 185 . 15 1 1 A 19 19 GLN H H 19 8.346 9.004 -0.658 1 1 186 . 15 1 1 A 19 19 GLN HA H 19 4.319 4.701 -0.382 1 1 193 . 15 1 1 A 19 19 GLN CA C 19 56.075 54.647 1.428 1 1 194 . 15 1 1 A 19 19 GLN CB C 19 29.077 28.892 0.185 1 1 196 . 15 1 1 A 19 19 GLN N N 19 120.620 124.409 -3.789 1 1 198 . 15 1 1 A 20 20 GLU H H 20 8.474 8.783 -0.309 1 1 199 . 15 1 1 A 20 20 GLU HA H 20 4.269 5.127 -0.858 1 1 204 . 15 1 1 A 20 20 GLU CA C 20 56.932 54.816 2.116 1 1 205 . 15 1 1 A 20 20 GLU CB C 20 29.694 33.276 -3.582 1 1 207 . 15 1 1 A 20 20 GLU N N 20 121.410 125.839 -4.429 1 1 208 . 15 1 1 A 21 21 MET H H 21 8.366 8.546 -0.180 1 1 209 . 15 1 1 A 21 21 MET HA H 21 4.538 4.930 -0.392 1 1 214 . 15 1 1 A 21 21 MET CA C 21 55.812 54.251 1.561 1 1 215 . 15 1 1 A 21 21 MET CB C 21 32.188 33.218 -1.030 1 1 217 . 15 1 1 A 21 21 MET N N 21 120.618 125.709 -5.091 1 1 218 . 15 1 1 A 22 22 THR H H 22 8.127 8.793 -0.666 1 1 219 . 15 1 1 A 22 22 THR HA H 22 4.299 4.275 0.024 1 1 224 . 15 1 1 A 22 22 THR CA C 22 62.287 62.150 0.137 1 1 225 . 15 1 1 A 22 22 THR CB C 22 69.174 68.721 0.453 1 1 227 . 15 1 1 A 22 22 THR N N 22 114.858 116.343 -1.485 1 1 228 . 15 1 1 A 23 23 GLN H H 23 8.342 8.382 -0.040 1 1 229 . 15 1 1 A 23 23 GLN HA H 23 4.339 4.575 -0.236 1 1 236 . 15 1 1 A 23 23 GLN CA C 23 56.148 56.117 0.031 1 1 237 . 15 1 1 A 23 23 GLN CB C 23 29.112 30.444 -1.332 1 1 239 . 15 1 1 A 23 23 GLN N N 23 122.047 121.554 0.493 1 1 241 . 15 1 1 A 24 24 LEU H H 24 8.174 8.678 -0.504 1 1 242 . 15 1 1 A 24 24 LEU HA H 24 4.334 5.109 -0.775 1 1 252 . 15 1 1 A 24 24 LEU CA C 24 55.519 53.205 2.314 1 1 253 . 15 1 1 A 24 24 LEU CB C 24 42.146 45.848 -3.702 1 1 257 . 15 1 1 A 24 24 LEU N N 24 122.328 123.284 -0.956 1 1 258 . 15 1 1 A 25 25 ASN H H 25 8.384 8.647 -0.263 1 1 259 . 15 1 1 A 25 25 ASN HA H 25 4.692 4.714 -0.022 1 1 264 . 15 1 1 A 25 25 ASN CA C 25 53.481 53.944 -0.463 1 1 265 . 15 1 1 A 25 25 ASN CB C 25 38.445 38.542 -0.097 1 1 266 . 15 1 1 A 25 25 ASN N N 25 119.262 122.231 -2.969 1 1 268 . 15 1 1 A 26 26 GLN H H 26 8.453 8.593 -0.140 1 1 269 . 15 1 1 A 26 26 GLN HA H 26 4.215 3.971 0.244 1 1 276 . 15 1 1 A 26 26 GLN CA C 26 57.037 59.386 -2.349 1 1 277 . 15 1 1 A 26 26 GLN CB C 26 28.996 28.421 0.575 1 1 279 . 15 1 1 A 26 26 GLN N N 26 120.394 122.982 -2.588 1 1 281 . 15 1 1 A 27 27 GLU H H 27 8.501 8.276 0.225 1 1 282 . 15 1 1 A 27 27 GLU HA H 27 4.202 4.102 0.100 1 1 287 . 15 1 1 A 27 27 GLU CA C 27 58.573 59.294 -0.721 1 1 288 . 15 1 1 A 27 27 GLU CB C 27 29.349 29.346 0.003 1 1 290 . 15 1 1 A 27 27 GLU N N 27 121.130 119.850 1.280 1 1 291 . 15 1 1 A 28 28 THR H H 28 8.032 8.113 -0.081 1 1 292 . 15 1 1 A 28 28 THR HA H 28 4.079 4.035 0.044 1 1 297 . 15 1 1 A 28 28 THR CA C 28 64.762 65.776 -1.014 1 1 298 . 15 1 1 A 28 28 THR CB C 28 68.354 68.420 -0.066 1 1 300 . 15 1 1 A 28 28 THR N N 28 114.032 116.385 -2.353 1 1 301 . 15 1 1 A 29 29 VAL H H 29 7.969 8.227 -0.258 1 1 302 . 15 1 1 A 29 29 VAL HA H 29 3.812 3.544 0.268 1 1 310 . 15 1 1 A 29 29 VAL CA C 29 65.572 67.123 -1.551 1 1 311 . 15 1 1 A 29 29 VAL CB C 29 31.624 31.691 -0.067 1 1 314 . 15 1 1 A 29 29 VAL N N 29 122.215 121.374 0.841 1 1 315 . 15 1 1 A 30 30 LYS H H 30 7.910 7.994 -0.084 1 1 316 . 15 1 1 A 30 30 LYS HA H 30 4.175 3.989 0.186 1 1 325 . 15 1 1 A 30 30 LYS CA C 30 57.780 59.322 -1.542 1 1 326 . 15 1 1 A 30 30 LYS CB C 30 31.537 32.273 -0.736 1 1 330 . 15 1 1 A 30 30 LYS N N 30 119.387 120.396 -1.009 1 1 331 . 15 1 1 A 31 31 ILE H H 31 8.277 7.939 0.338 1 1 332 . 15 1 1 A 31 31 ILE HA H 31 3.602 3.587 0.015 1 1 342 . 15 1 1 A 31 31 ILE CA C 31 65.712 65.516 0.196 1 1 343 . 15 1 1 A 31 31 ILE CB C 31 38.559 37.764 0.795 1 1 347 . 15 1 1 A 31 31 ILE N N 31 121.053 120.233 0.820 1 1 348 . 15 1 1 A 32 32 THR H H 32 7.896 8.303 -0.407 1 1 349 . 15 1 1 A 32 32 THR HA H 32 4.004 3.823 0.181 1 1 354 . 15 1 1 A 32 32 THR CA C 32 65.922 66.888 -0.966 1 1 355 . 15 1 1 A 32 32 THR CB C 32 68.400 68.497 -0.097 1 1 357 . 15 1 1 A 32 32 THR N N 32 115.554 116.381 -0.827 1 1 358 . 15 1 1 A 33 33 GLN H H 33 8.279 7.989 0.290 1 1 359 . 15 1 1 A 33 33 GLN HA H 33 3.887 3.863 0.024 1 1 366 . 15 1 1 A 33 33 GLN CA C 33 59.052 59.119 -0.067 1 1 367 . 15 1 1 A 33 33 GLN CB C 33 27.889 28.282 -0.393 1 1 369 . 15 1 1 A 33 33 GLN N N 33 120.920 121.569 -0.649 1 1 371 . 15 1 1 A 34 34 GLN H H 34 8.671 7.959 0.712 1 1 372 . 15 1 1 A 34 34 GLN HA H 34 3.615 3.969 -0.354 1 1 379 . 15 1 1 A 34 34 GLN CA C 34 60.424 58.932 1.492 1 1 380 . 15 1 1 A 34 34 GLN CB C 34 30.058 28.080 1.978 1 1 382 . 15 1 1 A 34 34 GLN N N 34 120.388 118.912 1.476 1 1 384 . 15 1 1 A 35 35 ASN H H 35 8.636 8.103 0.533 1 1 385 . 15 1 1 A 35 35 ASN HA H 35 4.595 4.425 0.170 1 1 390 . 15 1 1 A 35 35 ASN CA C 35 55.363 56.510 -1.147 1 1 391 . 15 1 1 A 35 35 ASN CB C 35 36.904 37.870 -0.966 1 1 392 . 15 1 1 A 35 35 ASN N N 35 116.477 118.009 -1.532 1 1 394 . 15 1 1 A 36 36 ARG H H 36 8.321 7.565 0.756 1 1 395 . 15 1 1 A 36 36 ARG HA H 36 4.142 4.082 0.060 1 1 402 . 15 1 1 A 36 36 ARG CA C 36 58.582 58.879 -0.297 1 1 403 . 15 1 1 A 36 36 ARG CB C 36 29.712 29.604 0.108 1 1 406 . 15 1 1 A 36 36 ARG N N 36 121.347 119.358 1.989 1 1 407 . 15 1 1 A 37 37 LEU H H 37 8.251 8.440 -0.189 1 1 408 . 15 1 1 A 37 37 LEU HA H 37 3.788 3.715 0.073 1 1 418 . 15 1 1 A 37 37 LEU CA C 37 57.094 57.779 -0.685 1 1 419 . 15 1 1 A 37 37 LEU CB C 37 40.554 40.428 0.126 1 1 423 . 15 1 1 A 37 37 LEU N N 37 120.862 119.962 0.900 1 1 424 . 15 1 1 A 38 38 ASN H H 38 8.047 8.374 -0.327 1 1 425 . 15 1 1 A 38 38 ASN HA H 38 5.134 4.525 0.609 1 1 430 . 15 1 1 A 38 38 ASN CA C 38 54.413 56.553 -2.140 1 1 431 . 15 1 1 A 38 38 ASN CB C 38 38.069 39.368 -1.299 1 1 432 . 15 1 1 A 38 38 ASN N N 38 115.574 118.666 -3.092 1 1 434 . 15 1 1 A 39 39 ALA H H 39 7.878 7.459 0.419 1 1 435 . 15 1 1 A 39 39 ALA HA H 39 4.342 4.144 0.198 1 1 439 . 15 1 1 A 39 39 ALA CA C 39 53.981 54.723 -0.742 1 1 440 . 15 1 1 A 39 39 ALA CB C 39 18.340 18.555 -0.215 1 1 441 . 15 1 1 A 39 39 ALA N N 39 123.076 121.124 1.952 1 1 442 . 15 1 1 A 40 40 LYS H H 40 7.431 7.201 0.230 1 1 443 . 15 1 1 A 40 40 LYS HA H 40 4.528 4.531 -0.003 1 1 452 . 15 1 1 A 40 40 LYS CA C 40 55.285 55.904 -0.619 1 1 453 . 15 1 1 A 40 40 LYS CB C 40 32.852 33.020 -0.168 1 1 457 . 15 1 1 A 40 40 LYS N N 40 114.889 115.130 -0.241 1 1 458 . 15 1 1 A 41 41 SER H H 41 7.671 7.644 0.027 1 1 459 . 15 1 1 A 41 41 SER HA H 41 4.615 4.679 -0.064 1 1 462 . 15 1 1 A 41 41 SER CA C 41 58.189 57.970 0.219 1 1 463 . 15 1 1 A 41 41 SER CB C 41 63.924 62.873 1.051 1 1 464 . 15 1 1 A 41 41 SER N N 41 114.795 118.049 -3.254 1 1 465 . 15 1 1 A 42 42 SER H H 42 8.927 8.554 0.373 1 1 466 . 15 1 1 A 42 42 SER HA H 42 4.792 4.415 0.377 1 1 469 . 15 1 1 A 42 42 SER CA C 42 58.133 61.604 -3.471 1 1 470 . 15 1 1 A 42 42 SER CB C 42 63.712 63.488 0.224 1 1 471 . 15 1 1 A 42 42 SER N N 42 120.934 124.250 -3.316 1 1 472 . 15 1 1 A 43 43 SER H H 43 8.320 7.968 0.352 1 1 473 . 15 1 1 A 43 43 SER HA H 43 4.654 4.917 -0.263 1 1 476 . 15 1 1 A 43 43 SER CA C 43 57.309 56.835 0.474 1 1 477 . 15 1 1 A 43 43 SER CB C 43 63.151 65.356 -2.205 1 1 478 . 15 1 1 A 43 43 SER N N 43 115.966 112.490 3.476 1 1 479 . 15 1 1 A 44 44 GLY H H 44 8.182 8.336 -0.154 1 1 480 . 15 1 1 A 44 44 GLY HA2 H 44 4.206 4.189 0.017 1 1 481 . 15 1 1 A 44 44 GLY HA3 H 44 4.399 4.207 0.192 1 1 482 . 15 1 1 A 44 44 GLY CA C 44 44.540 44.543 -0.003 1 1 483 . 15 1 1 A 44 44 GLY N N 44 110.764 111.715 -0.951 1 1 484 . 15 1 1 A 45 45 VAL H H 45 8.341 7.920 0.421 1 1 485 . 15 1 1 A 45 45 VAL HA H 45 4.845 4.667 0.178 1 1 493 . 15 1 1 A 45 45 VAL CA C 45 58.981 61.145 -2.164 1 1 494 . 15 1 1 A 45 45 VAL CB C 45 35.239 32.938 2.301 1 1 497 . 15 1 1 A 45 45 VAL N N 45 114.116 118.727 -4.611 1 1 498 . 15 1 1 A 46 46 TYR H H 46 10.501 9.017 1.484 1 1 499 . 15 1 1 A 46 46 TYR HA H 46 5.004 5.247 -0.243 1 1 506 . 15 1 1 A 46 46 TYR CA C 46 58.121 57.264 0.857 1 1 507 . 15 1 1 A 46 46 TYR CB C 46 41.382 39.973 1.409 1 1 510 . 15 1 1 A 46 46 TYR N N 46 123.384 123.020 0.364 1 1 511 . 15 1 1 A 47 47 LEU H H 47 9.364 9.559 -0.195 1 1 512 . 15 1 1 A 47 47 LEU HA H 47 4.695 5.066 -0.371 1 1 522 . 15 1 1 A 47 47 LEU CA C 47 52.769 53.658 -0.889 1 1 523 . 15 1 1 A 47 47 LEU CB C 47 44.689 42.175 2.514 1 1 527 . 15 1 1 A 47 47 LEU N N 47 118.822 125.537 -6.715 1 1 528 . 15 1 1 A 48 48 LEU H H 48 9.128 9.152 -0.024 1 1 529 . 15 1 1 A 48 48 LEU HA H 48 5.232 4.682 0.550 1 1 539 . 15 1 1 A 48 48 LEU CA C 48 51.100 52.459 -1.359 1 1 540 . 15 1 1 A 48 48 LEU CB C 48 40.141 41.734 -1.593 1 1 544 . 15 1 1 A 48 48 LEU N N 48 123.384 126.510 -3.126 1 1 545 . 15 1 1 A 49 49 PRO HA H 49 4.090 4.290 -0.200 1 1 552 . 15 1 1 A 49 49 PRO CA C 49 64.912 65.218 -0.306 1 1 553 . 15 1 1 A 49 49 PRO CB C 49 31.607 31.786 -0.179 1 1 556 . 15 1 1 A 50 50 GLY H H 50 9.181 8.527 0.654 1 1 557 . 15 1 1 A 50 50 GLY HA2 H 50 3.933 3.962 -0.029 1 1 558 . 15 1 1 A 50 50 GLY HA3 H 50 4.757 3.965 0.792 1 1 559 . 15 1 1 A 50 50 GLY CA C 50 45.499 45.143 0.356 1 1 560 . 15 1 1 A 50 50 GLY N N 50 106.827 107.774 -0.947 1 1 561 . 15 1 1 A 51 51 ALA H H 51 7.857 7.851 0.006 1 1 562 . 15 1 1 A 51 51 ALA HA H 51 4.264 4.461 -0.197 1 1 566 . 15 1 1 A 51 51 ALA CA C 51 53.156 50.676 2.480 1 1 567 . 15 1 1 A 51 51 ALA CB C 51 18.492 20.714 -2.222 1 1 568 . 15 1 1 A 51 51 ALA N N 51 120.192 123.069 -2.877 1 1 569 . 15 1 1 A 52 52 LYS H H 52 7.787 8.857 -1.070 1 1 570 . 15 1 1 A 52 52 LYS HA H 52 4.094 4.497 -0.403 1 1 579 . 15 1 1 A 52 52 LYS CA C 52 56.979 55.652 1.327 1 1 580 . 15 1 1 A 52 52 LYS CB C 52 30.731 32.089 -1.358 1 1 584 . 15 1 1 A 52 52 LYS N N 52 115.260 124.507 -9.247 1 1 585 . 15 1 1 A 53 53 THR H H 53 8.043 7.562 0.481 1 1 586 . 15 1 1 A 53 53 THR HA H 53 4.924 4.992 -0.068 1 1 591 . 15 1 1 A 53 53 THR CA C 53 59.565 58.273 1.292 1 1 592 . 15 1 1 A 53 53 THR CB C 53 72.729 71.021 1.708 1 1 594 . 15 1 1 A 53 53 THR N N 53 114.085 111.102 2.983 1 1 595 . 15 1 1 A 54 54 PRO HA H 54 4.860 4.676 0.184 1 1 602 . 15 1 1 A 54 54 PRO CA C 54 62.176 62.349 -0.173 1 1 603 . 15 1 1 A 54 54 PRO CB C 54 32.820 33.155 -0.335 1 1 606 . 15 1 1 A 55 55 ALA H H 55 8.834 8.257 0.577 1 1 607 . 15 1 1 A 55 55 ALA HA H 55 4.824 4.895 -0.071 1 1 611 . 15 1 1 A 55 55 ALA CA C 55 50.500 50.940 -0.440 1 1 612 . 15 1 1 A 55 55 ALA CB C 55 22.858 22.851 0.007 1 1 613 . 15 1 1 A 55 55 ALA N N 55 122.227 120.854 1.373 1 1 614 . 15 1 1 A 56 56 ARG H H 56 8.445 8.658 -0.213 1 1 615 . 15 1 1 A 56 56 ARG HA H 56 5.262 5.062 0.200 1 1 623 . 15 1 1 A 56 56 ARG CA C 56 54.401 55.379 -0.978 1 1 624 . 15 1 1 A 56 56 ARG CB C 56 32.849 31.495 1.354 1 1 627 . 15 1 1 A 56 56 ARG N N 56 121.194 123.439 -2.245 1 1 629 . 15 1 1 A 57 57 LEU H H 57 9.159 9.190 -0.031 1 1 630 . 15 1 1 A 57 57 LEU HA H 57 4.672 5.147 -0.475 1 1 640 . 15 1 1 A 57 57 LEU CA C 57 53.028 53.594 -0.566 1 1 641 . 15 1 1 A 57 57 LEU CB C 57 46.231 45.842 0.389 1 1 645 . 15 1 1 A 57 57 LEU N N 57 125.694 128.293 -2.599 1 1 646 . 15 1 1 A 58 58 GLU H H 58 8.890 8.799 0.091 1 1 647 . 15 1 1 A 58 58 GLU HA H 58 4.535 4.670 -0.135 1 1 652 . 15 1 1 A 58 58 GLU CA C 58 55.733 56.094 -0.361 1 1 653 . 15 1 1 A 58 58 GLU CB C 58 27.970 30.497 -2.527 1 1 655 . 15 1 1 A 58 58 GLU N N 58 127.677 128.289 -0.612 1 1 656 . 15 1 1 A 59 59 SER H H 59 7.772 8.734 -0.962 1 1 657 . 15 1 1 A 59 59 SER HA H 59 4.970 5.053 -0.083 1 1 661 . 15 1 1 A 59 59 SER CA C 59 57.576 55.802 1.774 1 1 662 . 15 1 1 A 59 59 SER CB C 59 69.174 66.291 2.883 1 1 663 . 15 1 1 A 59 59 SER N N 59 121.860 120.099 1.761 1 1 664 . 15 1 1 A 60 60 GLN H H 60 9.336 8.591 0.745 1 1 665 . 15 1 1 A 60 60 GLN HA H 60 4.262 4.314 -0.052 1 1 672 . 15 1 1 A 60 60 GLN CA C 60 57.792 57.718 0.074 1 1 673 . 15 1 1 A 60 60 GLN CB C 60 29.669 28.441 1.228 1 1 675 . 15 1 1 A 60 60 GLN N N 60 119.522 117.722 1.800 1 1 677 . 15 1 1 A 61 61 ILE H H 61 8.007 7.404 0.603 1 1 678 . 15 1 1 A 61 61 ILE HA H 61 4.623 4.388 0.235 1 1 688 . 15 1 1 A 61 61 ILE CA C 61 59.813 61.066 -1.253 1 1 689 . 15 1 1 A 61 61 ILE CB C 61 37.013 39.324 -2.311 1 1 693 . 15 1 1 A 61 61 ILE N N 61 109.398 112.354 -2.956 1 1 694 . 15 1 1 A 62 62 GLY H H 62 7.223 7.218 0.005 1 1 695 . 15 1 1 A 62 62 GLY HA2 H 62 4.493 4.057 0.436 1 1 696 . 15 1 1 A 62 62 GLY HA3 H 62 3.872 4.072 -0.200 1 1 697 . 15 1 1 A 62 62 GLY CA C 62 43.022 45.749 -2.727 1 1 698 . 15 1 1 A 62 62 GLY N N 62 109.035 109.019 0.016 1 1 699 . 15 1 1 A 63 63 THR H H 63 8.910 8.524 0.386 1 1 700 . 15 1 1 A 63 63 THR HA H 63 4.599 4.861 -0.262 1 1 705 . 15 1 1 A 63 63 THR CA C 63 64.037 62.453 1.584 1 1 706 . 15 1 1 A 63 63 THR CB C 63 68.111 69.707 -1.596 1 1 708 . 15 1 1 A 63 63 THR N N 63 119.711 116.855 2.856 1 1 709 . 15 1 1 A 64 64 LEU H H 64 9.070 8.831 0.239 1 1 710 . 15 1 1 A 64 64 LEU HA H 64 5.120 5.319 -0.199 1 1 720 . 15 1 1 A 64 64 LEU CA C 64 52.680 52.584 0.096 1 1 721 . 15 1 1 A 64 64 LEU CB C 64 44.749 46.200 -1.451 1 1 725 . 15 1 1 A 64 64 LEU N N 64 127.640 122.686 4.954 1 1 726 . 15 1 1 A 65 65 ARG H H 65 9.271 8.819 0.452 1 1 727 . 15 1 1 A 65 65 ARG HA H 65 4.989 5.339 -0.350 1 1 735 . 15 1 1 A 65 65 ARG CA C 65 54.814 54.510 0.304 1 1 736 . 15 1 1 A 65 65 ARG CB C 65 31.836 33.613 -1.777 1 1 739 . 15 1 1 A 65 65 ARG N N 65 122.680 119.497 3.183 1 1 741 . 15 1 1 A 66 66 MET H H 66 9.310 9.332 -0.022 1 1 742 . 15 1 1 A 66 66 MET HA H 66 5.822 5.981 -0.159 1 1 747 . 15 1 1 A 66 66 MET CA C 66 53.936 54.169 -0.233 1 1 748 . 15 1 1 A 66 66 MET CB C 66 35.912 35.735 0.177 1 1 750 . 15 1 1 A 66 66 MET N N 66 125.309 126.405 -1.096 1 1 751 . 15 1 1 A 67 67 SER H H 67 8.943 8.685 0.258 1 1 752 . 15 1 1 A 67 67 SER HA H 67 4.660 5.022 -0.362 1 1 755 . 15 1 1 A 67 67 SER CA C 67 57.460 57.222 0.238 1 1 756 . 15 1 1 A 67 67 SER CB C 67 65.747 66.140 -0.393 1 1 757 . 15 1 1 A 67 67 SER N N 67 112.115 113.995 -1.880 1 1 758 . 15 1 1 A 68 68 LEU H H 68 8.410 8.798 -0.388 1 1 759 . 15 1 1 A 68 68 LEU HA H 68 5.115 5.188 -0.073 1 1 769 . 15 1 1 A 68 68 LEU CA C 68 52.837 53.426 -0.589 1 1 770 . 15 1 1 A 68 68 LEU CB C 68 42.269 43.159 -0.890 1 1 774 . 15 1 1 A 68 68 LEU N N 68 118.367 122.843 -4.476 1 1 775 . 15 1 1 A 69 69 VAL H H 69 9.060 8.354 0.706 1 1 776 . 15 1 1 A 69 69 VAL HA H 69 4.440 4.569 -0.129 1 1 784 . 15 1 1 A 69 69 VAL CA C 69 59.852 59.478 0.374 1 1 785 . 15 1 1 A 69 69 VAL CB C 69 35.349 35.485 -0.136 1 1 788 . 15 1 1 A 69 69 VAL N N 69 119.888 118.955 0.933 1 1 789 . 15 1 1 A 70 70 ASN H H 70 8.651 8.763 -0.112 1 1 790 . 15 1 1 A 70 70 ASN HA H 70 4.345 4.218 0.127 1 1 795 . 15 1 1 A 70 70 ASN CA C 70 53.555 54.166 -0.611 1 1 796 . 15 1 1 A 70 70 ASN CB C 70 36.932 36.885 0.047 1 1 797 . 15 1 1 A 70 70 ASN N N 70 119.166 117.839 1.327 1 1 799 . 15 1 1 A 71 71 ILE H H 71 8.449 8.063 0.386 1 1 800 . 15 1 1 A 71 71 ILE HA H 71 4.235 4.007 0.228 1 1 810 . 15 1 1 A 71 71 ILE CA C 71 63.104 62.371 0.733 1 1 811 . 15 1 1 A 71 71 ILE CB C 71 37.200 36.980 0.220 1 1 815 . 15 1 1 A 71 71 ILE N N 71 121.388 119.345 2.043 1 1 816 . 15 1 1 A 72 72 THR H H 72 9.511 8.836 0.675 1 1 817 . 15 1 1 A 72 72 THR HA H 72 4.967 5.118 -0.151 1 1 822 . 15 1 1 A 72 72 THR CA C 72 59.584 58.457 1.127 1 1 823 . 15 1 1 A 72 72 THR CB C 72 71.930 70.460 1.470 1 1 825 . 15 1 1 A 72 72 THR N N 72 125.726 118.236 7.490 1 1 826 . 15 1 1 A 73 73 PRO HA H 73 4.822 4.751 0.071 1 1 833 . 15 1 1 A 73 73 PRO CA C 73 63.362 62.687 0.675 1 1 834 . 15 1 1 A 73 73 PRO CB C 73 32.451 31.832 0.619 1 1 837 . 15 1 1 A 74 74 ASP H H 74 8.404 8.837 -0.433 1 1 838 . 15 1 1 A 74 74 ASP HA H 74 4.824 5.028 -0.204 1 1 841 . 15 1 1 A 74 74 ASP CA C 74 52.609 52.974 -0.365 1 1 842 . 15 1 1 A 74 74 ASP CB C 74 43.743 43.059 0.684 1 1 843 . 15 1 1 A 74 74 ASP N N 74 122.325 122.527 -0.202 1 1 844 . 15 1 1 A 75 75 ALA H H 75 8.539 8.842 -0.303 1 1 845 . 15 1 1 A 75 75 ALA HA H 75 4.062 4.045 0.017 1 1 849 . 15 1 1 A 75 75 ALA CA C 75 54.431 55.333 -0.902 1 1 850 . 15 1 1 A 75 75 ALA CB C 75 18.117 18.099 0.018 1 1 851 . 15 1 1 A 75 75 ALA N N 75 123.501 127.274 -3.773 1 1 852 . 15 1 1 A 76 76 ASP H H 76 8.356 8.128 0.228 1 1 853 . 15 1 1 A 76 76 ASP HA H 76 4.815 4.535 0.280 1 1 856 . 15 1 1 A 76 76 ASP CA C 76 53.161 56.107 -2.946 1 1 857 . 15 1 1 A 76 76 ASP CB C 76 41.234 41.594 -0.360 1 1 858 . 15 1 1 A 76 76 ASP N N 76 115.326 117.431 -2.105 1 1 859 . 15 1 1 A 77 77 GLY H H 77 7.569 7.300 0.269 1 1 860 . 15 1 1 A 77 77 GLY HA2 H 77 3.925 4.089 -0.164 1 1 861 . 15 1 1 A 77 77 GLY HA3 H 77 4.508 4.090 0.418 1 1 862 . 15 1 1 A 77 77 GLY CA C 77 46.675 46.083 0.592 1 1 863 . 15 1 1 A 77 77 GLY N N 77 109.452 103.578 5.874 1 1 864 . 15 1 1 A 78 78 THR H H 78 8.272 8.418 -0.146 1 1 865 . 15 1 1 A 78 78 THR HA H 78 4.655 4.974 -0.319 1 1 870 . 15 1 1 A 78 78 THR CA C 78 63.204 61.150 2.054 1 1 871 . 15 1 1 A 78 78 THR CB C 78 72.222 71.312 0.910 1 1 873 . 15 1 1 A 78 78 THR N N 78 122.442 114.681 7.761 1 1 874 . 15 1 1 A 79 79 THR H H 79 9.027 8.741 0.286 1 1 875 . 15 1 1 A 79 79 THR HA H 79 5.164 5.439 -0.275 1 1 880 . 15 1 1 A 79 79 THR CA C 79 60.303 60.603 -0.300 1 1 881 . 15 1 1 A 79 79 THR CB C 79 70.442 70.126 0.316 1 1 883 . 15 1 1 A 79 79 THR N N 79 121.451 119.426 2.025 1 1 884 . 15 1 1 A 80 80 LEU H H 80 8.698 9.074 -0.376 1 1 885 . 15 1 1 A 80 80 LEU HA H 80 4.835 5.204 -0.369 1 1 895 . 15 1 1 A 80 80 LEU CA C 80 54.194 53.041 1.153 1 1 896 . 15 1 1 A 80 80 LEU CB C 80 44.576 46.334 -1.758 1 1 900 . 15 1 1 A 80 80 LEU N N 80 119.374 123.586 -4.212 1 1 901 . 15 1 1 A 81 81 THR H H 81 8.675 8.868 -0.193 1 1 902 . 15 1 1 A 81 81 THR HA H 81 4.740 4.974 -0.234 1 1 907 . 15 1 1 A 81 81 THR CA C 81 61.838 61.929 -0.091 1 1 908 . 15 1 1 A 81 81 THR CB C 81 70.190 71.277 -1.087 1 1 910 . 15 1 1 A 81 81 THR N N 81 116.982 111.711 5.271 1 1 911 . 15 1 1 A 82 82 LEU H H 82 8.898 9.087 -0.189 1 1 912 . 15 1 1 A 82 82 LEU HA H 82 4.748 4.793 -0.045 1 1 922 . 15 1 1 A 82 82 LEU CA C 82 53.076 54.299 -1.223 1 1 923 . 15 1 1 A 82 82 LEU CB C 82 43.189 43.029 0.160 1 1 927 . 15 1 1 A 82 82 LEU N N 82 130.905 130.347 0.558 1 1 928 . 15 1 1 A 83 83 ARG H H 83 9.162 8.901 0.261 1 1 929 . 15 1 1 A 83 83 ARG HA H 83 5.174 4.725 0.449 1 1 936 . 15 1 1 A 83 83 ARG CA C 83 54.441 55.801 -1.360 1 1 937 . 15 1 1 A 83 83 ARG CB C 83 31.332 31.524 -0.192 1 1 940 . 15 1 1 A 83 83 ARG N N 83 131.064 126.318 4.746 1 1 941 . 15 1 1 A 84 84 ILE H H 84 9.474 9.478 -0.004 1 1 942 . 15 1 1 A 84 84 ILE HA H 84 4.611 4.559 0.052 1 1 952 . 15 1 1 A 84 84 ILE CA C 84 60.486 60.618 -0.132 1 1 953 . 15 1 1 A 84 84 ILE CB C 84 40.120 38.069 2.051 1 1 957 . 15 1 1 A 84 84 ILE N N 84 128.394 125.078 3.316 1 1 958 . 15 1 1 A 85 85 GLN H H 85 9.137 9.283 -0.146 1 1 959 . 15 1 1 A 85 85 GLN HA H 85 5.457 4.778 0.679 1 1 966 . 15 1 1 A 85 85 GLN CA C 85 53.109 54.775 -1.666 1 1 967 . 15 1 1 A 85 85 GLN CB C 85 32.450 29.602 2.848 1 1 969 . 15 1 1 A 85 85 GLN N N 85 124.857 128.531 -3.674 1 1 971 . 15 1 1 A 86 86 GLY H H 86 9.090 8.792 0.298 1 1 972 . 15 1 1 A 86 86 GLY HA2 H 86 3.813 4.012 -0.199 1 1 973 . 15 1 1 A 86 86 GLY HA3 H 86 4.499 4.022 0.477 1 1 974 . 15 1 1 A 86 86 GLY CA C 86 44.877 45.388 -0.511 1 1 975 . 15 1 1 A 86 86 GLY N N 86 110.702 114.066 -3.364 1 1 976 . 15 1 1 A 87 87 GLU H H 87 8.128 8.931 -0.803 1 1 977 . 15 1 1 A 87 87 GLU HA H 87 4.472 4.193 0.279 1 1 982 . 15 1 1 A 87 87 GLU CA C 87 56.057 58.143 -2.086 1 1 983 . 15 1 1 A 87 87 GLU CB C 87 29.943 29.790 0.153 1 1 985 . 15 1 1 A 87 87 GLU N N 87 120.445 122.434 -1.989 1 1 986 . 15 1 1 A 88 88 SER H H 88 8.063 7.511 0.552 1 1 987 . 15 1 1 A 88 88 SER HA H 88 4.469 4.280 0.189 1 1 990 . 15 1 1 A 88 88 SER CA C 88 57.472 60.646 -3.174 1 1 991 . 15 1 1 A 88 88 SER CB C 88 63.799 63.398 0.401 1 1 992 . 15 1 1 A 88 88 SER N N 88 113.821 115.577 -1.756 1 1 993 . 15 1 1 A 89 89 ASN H H 89 8.502 8.931 -0.429 1 1 994 . 15 1 1 A 89 89 ASN HA H 89 4.533 4.691 -0.158 1 1 999 . 15 1 1 A 89 89 ASN CA C 89 53.715 55.040 -1.325 1 1 1000 . 15 1 1 A 89 89 ASN CB C 89 38.212 38.647 -0.435 1 1 1001 . 15 1 1 A 89 89 ASN N N 89 119.482 124.899 -5.417 1 1 1003 . 15 1 1 A 90 90 ASP H H 90 8.104 7.673 0.431 1 1 1004 . 15 1 1 A 90 90 ASP HA H 90 5.061 4.916 0.145 1 1 1007 . 15 1 1 A 90 90 ASP CA C 90 51.392 52.099 -0.707 1 1 1008 . 15 1 1 A 90 90 ASP CB C 90 41.223 41.537 -0.314 1 1 1009 . 15 1 1 A 90 90 ASP N N 90 119.891 118.253 1.638 1 1 1010 . 15 1 1 A 91 91 PRO HA H 91 4.156 4.597 -0.441 1 1 1017 . 15 1 1 A 91 91 PRO CA C 91 62.200 62.976 -0.776 1 1 1018 . 15 1 1 A 91 91 PRO CB C 91 30.844 32.402 -1.558 1 1 1021 . 15 1 1 A 92 92 LEU H H 92 8.206 8.285 -0.079 1 1 1022 . 15 1 1 A 92 92 LEU HA H 92 4.504 4.838 -0.334 1 1 1032 . 15 1 1 A 92 92 LEU CA C 92 52.697 52.575 0.122 1 1 1033 . 15 1 1 A 92 92 LEU CB C 92 41.249 42.444 -1.195 1 1 1037 . 15 1 1 A 92 92 LEU N N 92 123.954 123.143 0.811 1 1 1038 . 15 1 1 A 93 93 PRO HA H 93 4.808 4.664 0.144 1 1 1045 . 15 1 1 A 93 93 PRO CA C 93 61.122 62.278 -1.156 1 1 1046 . 15 1 1 A 93 93 PRO CB C 93 32.289 33.087 -0.798 1 1 1049 . 15 1 1 A 94 94 ALA H H 94 8.420 8.416 0.004 1 1 1050 . 15 1 1 A 94 94 ALA HA H 94 4.164 4.687 -0.523 1 1 1054 . 15 1 1 A 94 94 ALA CA C 94 52.655 51.770 0.885 1 1 1055 . 15 1 1 A 94 94 ALA CB C 94 18.563 20.169 -1.606 1 1 1056 . 15 1 1 A 94 94 ALA N N 94 120.368 122.671 -2.303 1 1 1057 . 15 1 1 A 95 95 PHE H H 95 7.961 7.829 0.132 1 1 1058 . 15 1 1 A 95 95 PHE HA H 95 5.489 5.561 -0.072 1 1 1066 . 15 1 1 A 95 95 PHE CA C 95 56.213 55.572 0.641 1 1 1067 . 15 1 1 A 95 95 PHE CB C 95 41.552 42.416 -0.864 1 1 1071 . 15 1 1 A 95 95 PHE N N 95 115.209 116.527 -1.318 1 1 1072 . 15 1 1 A 96 96 SER H H 96 9.231 9.096 0.135 1 1 1073 . 15 1 1 A 96 96 SER HA H 96 5.427 5.268 0.159 1 1 1076 . 15 1 1 A 96 96 SER CA C 96 55.549 57.284 -1.735 1 1 1077 . 15 1 1 A 96 96 SER CB C 96 66.681 66.048 0.633 1 1 1078 . 15 1 1 A 96 96 SER N N 96 114.106 113.872 0.234 1 1 1079 . 15 1 1 A 97 97 GLY H H 97 8.269 8.406 -0.137 1 1 1080 . 15 1 1 A 97 97 GLY HA2 H 97 4.612 4.231 0.381 1 1 1081 . 15 1 1 A 97 97 GLY HA3 H 97 3.571 4.246 -0.675 1 1 1082 . 15 1 1 A 97 97 GLY CA C 97 45.139 45.986 -0.847 1 1 1083 . 15 1 1 A 97 97 GLY N N 97 104.730 107.604 -2.874 1 1 1084 . 15 1 1 A 98 98 THR H H 98 8.068 8.582 -0.514 1 1 1085 . 15 1 1 A 98 98 THR HA H 98 4.836 5.303 -0.467 1 1 1090 . 15 1 1 A 98 98 THR CA C 98 62.462 61.254 1.208 1 1 1091 . 15 1 1 A 98 98 THR CB C 98 70.240 71.017 -0.777 1 1 1093 . 15 1 1 A 98 98 THR N N 98 115.596 115.619 -0.023 1 1 1094 . 15 1 1 A 99 99 VAL H H 99 9.016 9.099 -0.083 1 1 1095 . 15 1 1 A 99 99 VAL HA H 99 5.040 5.256 -0.216 1 1 1103 . 15 1 1 A 99 99 VAL CA C 99 59.695 59.638 0.057 1 1 1104 . 15 1 1 A 99 99 VAL CB C 99 33.810 34.532 -0.722 1 1 1107 . 15 1 1 A 99 99 VAL N N 99 124.571 125.170 -0.599 1 1 1108 . 15 1 1 A 100 100 GLU H H 100 9.595 9.309 0.286 1 1 1109 . 15 1 1 A 100 100 GLU HA H 100 5.463 4.877 0.586 1 1 1114 . 15 1 1 A 100 100 GLU CA C 100 53.132 55.577 -2.445 1 1 1115 . 15 1 1 A 100 100 GLU CB C 100 31.806 30.486 1.320 1 1 1117 . 15 1 1 A 100 100 GLU N N 100 125.607 127.365 -1.758 1 1 1118 . 15 1 1 A 101 101 TYR H H 101 8.576 8.729 -0.153 1 1 1119 . 15 1 1 A 101 101 TYR HA H 101 4.568 5.664 -1.096 1 1 1126 . 15 1 1 A 101 101 TYR CA C 101 54.809 55.106 -0.297 1 1 1127 . 15 1 1 A 101 101 TYR CB C 101 39.516 41.072 -1.556 1 1 1130 . 15 1 1 A 101 101 TYR N N 101 117.224 122.584 -5.360 1 1 1131 . 15 1 1 A 102 102 GLY H H 102 6.489 7.261 -0.772 1 1 1132 . 15 1 1 A 102 102 GLY HA2 H 102 3.948 4.204 -0.256 1 1 1133 . 15 1 1 A 102 102 GLY HA3 H 102 4.190 4.234 -0.044 1 1 1134 . 15 1 1 A 102 102 GLY CA C 102 46.509 45.715 0.794 1 1 1135 . 15 1 1 A 102 102 GLY N N 102 103.890 107.785 -3.895 1 1 1136 . 15 1 1 A 103 103 GLN H H 103 8.789 8.953 -0.164 1 1 1137 . 15 1 1 A 103 103 GLN HA H 103 4.893 5.143 -0.250 1 1 1144 . 15 1 1 A 103 103 GLN CA C 103 54.742 54.505 0.237 1 1 1145 . 15 1 1 A 103 103 GLN CB C 103 31.972 32.544 -0.572 1 1 1147 . 15 1 1 A 103 103 GLN N N 103 121.055 119.995 1.060 1 1 1149 . 15 1 1 A 104 104 ILE H H 104 8.877 9.186 -0.309 1 1 1150 . 15 1 1 A 104 104 ILE HA H 104 5.033 4.485 0.548 1 1 1160 . 15 1 1 A 104 104 ILE CA C 104 59.495 60.806 -1.311 1 1 1161 . 15 1 1 A 104 104 ILE CB C 104 40.485 38.279 2.206 1 1 1165 . 15 1 1 A 104 104 ILE N N 104 119.483 123.459 -3.976 1 1 1166 . 15 1 1 A 105 105 GLN H H 105 8.807 8.769 0.038 1 1 1167 . 15 1 1 A 105 105 GLN HA H 105 4.785 4.332 0.453 1 1 1174 . 15 1 1 A 105 105 GLN CA C 105 53.586 56.929 -3.343 1 1 1175 . 15 1 1 A 105 105 GLN CB C 105 32.029 29.303 2.726 1 1 1177 . 15 1 1 A 105 105 GLN N N 105 126.014 125.260 0.754 1 1 1179 . 15 1 1 A 106 106 GLY H H 106 8.680 8.031 0.649 1 1 1180 . 15 1 1 A 106 106 GLY HA2 H 106 4.878 4.118 0.760 1 1 1181 . 15 1 1 A 106 106 GLY HA3 H 106 3.898 4.149 -0.251 1 1 1182 . 15 1 1 A 106 106 GLY CA C 106 43.994 44.349 -0.355 1 1 1183 . 15 1 1 A 106 106 GLY N N 106 111.899 109.732 2.167 1 1 1184 . 15 1 1 A 107 107 THR H H 107 7.984 8.583 -0.599 1 1 1185 . 15 1 1 A 107 107 THR HA H 107 4.571 4.655 -0.084 1 1 1190 . 15 1 1 A 107 107 THR CA C 107 59.611 60.471 -0.860 1 1 1191 . 15 1 1 A 107 107 THR CB C 107 71.146 71.936 -0.790 1 1 1193 . 15 1 1 A 107 107 THR N N 107 111.498 110.892 0.606 1 1 1194 . 15 1 1 A 108 108 ILE H H 108 8.345 8.944 -0.599 1 1 1195 . 15 1 1 A 108 108 ILE HA H 108 3.775 3.765 0.010 1 1 1205 . 15 1 1 A 108 108 ILE CA C 108 62.916 63.953 -1.037 1 1 1206 . 15 1 1 A 108 108 ILE CB C 108 37.737 37.189 0.548 1 1 1210 . 15 1 1 A 108 108 ILE N N 108 117.576 122.055 -4.479 1 1 1211 . 15 1 1 A 109 109 ASP H H 109 7.753 7.984 -0.231 1 1 1212 . 15 1 1 A 109 109 ASP HA H 109 4.564 4.597 -0.033 1 1 1215 . 15 1 1 A 109 109 ASP CA C 109 54.540 56.374 -1.834 1 1 1216 . 15 1 1 A 109 109 ASP CB C 109 41.360 41.553 -0.193 1 1 1217 . 15 1 1 A 109 109 ASP N N 109 116.045 121.200 -5.155 1 1 1218 . 15 1 1 A 110 110 ASN H H 110 7.719 7.915 -0.196 1 1 1219 . 15 1 1 A 110 110 ASN HA H 110 4.723 4.982 -0.259 1 1 1224 . 15 1 1 A 110 110 ASN CA C 110 53.036 52.423 0.613 1 1 1225 . 15 1 1 A 110 110 ASN CB C 110 38.443 40.115 -1.672 1 1 1226 . 15 1 1 A 110 110 ASN N N 110 119.075 114.153 4.922 1 1 1228 . 15 1 1 A 111 111 PHE H H 111 7.977 8.369 -0.392 1 1 1229 . 15 1 1 A 111 111 PHE HA H 111 5.249 5.731 -0.482 1 1 1237 . 15 1 1 A 111 111 PHE CA C 111 56.627 54.808 1.819 1 1 1238 . 15 1 1 A 111 111 PHE CB C 111 40.215 42.577 -2.362 1 1 1242 . 15 1 1 A 111 111 PHE N N 111 122.138 119.690 2.448 1 1 1243 . 15 1 1 A 112 112 GLN H H 112 8.715 8.779 -0.064 1 1 1244 . 15 1 1 A 112 112 GLN HA H 112 4.540 4.932 -0.392 1 1 1251 . 15 1 1 A 112 112 GLN CA C 112 54.035 54.192 -0.157 1 1 1252 . 15 1 1 A 112 112 GLN CB C 112 31.861 31.528 0.333 1 1 1254 . 15 1 1 A 112 112 GLN N N 112 119.575 118.667 0.908 1 1 1256 . 15 1 1 A 113 113 GLU H H 113 8.546 8.799 -0.253 1 1 1257 . 15 1 1 A 113 113 GLU HA H 113 4.780 4.969 -0.189 1 1 1262 . 15 1 1 A 113 113 GLU CA C 113 55.412 56.688 -1.276 1 1 1263 . 15 1 1 A 113 113 GLU CB C 113 29.886 30.296 -0.410 1 1 1265 . 15 1 1 A 113 113 GLU N N 113 122.846 124.031 -1.185 1 1 1266 . 15 1 1 A 114 114 ILE H H 114 8.913 8.500 0.413 1 1 1267 . 15 1 1 A 114 114 ILE HA H 114 4.662 4.663 -0.001 1 1 1277 . 15 1 1 A 114 114 ILE CA C 114 59.144 59.290 -0.146 1 1 1278 . 15 1 1 A 114 114 ILE CB C 114 41.873 40.633 1.240 1 1 1282 . 15 1 1 A 114 114 ILE N N 114 120.222 120.445 -0.223 1 1 1283 . 15 1 1 A 115 115 ASN H H 115 8.916 8.774 0.142 1 1 1284 . 15 1 1 A 115 115 ASN HA H 115 4.340 4.224 0.116 1 1 1289 . 15 1 1 A 115 115 ASN CA C 115 53.444 54.160 -0.716 1 1 1290 . 15 1 1 A 115 115 ASN CB C 115 36.467 37.084 -0.617 1 1 1291 . 15 1 1 A 115 115 ASN N N 115 120.916 118.808 2.108 1 1 1293 . 15 1 1 A 116 116 VAL H H 116 8.044 7.851 0.193 1 1 1294 . 15 1 1 A 116 116 VAL HA H 116 4.389 4.565 -0.176 1 1 1302 . 15 1 1 A 116 116 VAL CA C 116 63.183 61.000 2.183 1 1 1303 . 15 1 1 A 116 116 VAL CB C 116 32.216 32.600 -0.384 1 1 1306 . 15 1 1 A 116 116 VAL N N 116 117.046 118.534 -1.488 1 1 1307 . 15 1 1 A 117 117 GLN H H 117 8.582 8.562 0.020 1 1 1308 . 15 1 1 A 117 117 GLN HA H 117 4.550 4.739 -0.189 1 1 1315 . 15 1 1 A 117 117 GLN CA C 117 53.827 53.895 -0.068 1 1 1316 . 15 1 1 A 117 117 GLN CB C 117 33.119 31.866 1.253 1 1 1318 . 15 1 1 A 117 117 GLN N N 117 127.086 126.695 0.391 1 1 1320 . 15 1 1 A 118 118 ASN H H 118 8.330 8.755 -0.425 1 1 1321 . 15 1 1 A 118 118 ASN HA H 118 5.845 6.175 -0.330 1 1 1326 . 15 1 1 A 118 118 ASN CA C 118 51.736 51.322 0.414 1 1 1327 . 15 1 1 A 118 118 ASN CB C 118 42.644 41.722 0.922 1 1 1328 . 15 1 1 A 118 118 ASN N N 118 113.251 116.701 -3.450 1 1 1330 . 15 1 1 A 119 119 GLN H H 119 9.187 8.497 0.690 1 1 1331 . 15 1 1 A 119 119 GLN HA H 119 4.693 4.788 -0.095 1 1 1338 . 15 1 1 A 119 119 GLN CA C 119 55.160 54.949 0.211 1 1 1339 . 15 1 1 A 119 119 GLN CB C 119 34.157 33.463 0.694 1 1 1341 . 15 1 1 A 119 119 GLN N N 119 116.799 119.657 -2.858 1 1 1343 . 15 1 1 A 120 120 LEU H H 120 8.544 8.738 -0.194 1 1 1344 . 15 1 1 A 120 120 LEU HA H 120 5.059 5.107 -0.048 1 1 1354 . 15 1 1 A 120 120 LEU CA C 120 54.327 53.715 0.612 1 1 1355 . 15 1 1 A 120 120 LEU CB C 120 42.839 42.621 0.218 1 1 1359 . 15 1 1 A 120 120 LEU N N 120 123.292 125.331 -2.039 1 1 1360 . 15 1 1 A 121 121 ILE H H 121 8.657 9.370 -0.713 1 1 1361 . 15 1 1 A 121 121 ILE HA H 121 4.778 4.999 -0.221 1 1 1371 . 15 1 1 A 121 121 ILE CA C 121 58.770 59.636 -0.866 1 1 1372 . 15 1 1 A 121 121 ILE CB C 121 41.582 40.231 1.351 1 1 1376 . 15 1 1 A 121 121 ILE N N 121 116.046 122.128 -6.082 1 1 1377 . 15 1 1 A 122 122 ASN H H 122 8.329 9.125 -0.796 1 1 1378 . 15 1 1 A 122 122 ASN HA H 122 5.068 5.402 -0.334 1 1 1383 . 15 1 1 A 122 122 ASN CA C 122 52.654 51.738 0.916 1 1 1384 . 15 1 1 A 122 122 ASN CB C 122 42.112 42.251 -0.139 1 1 1385 . 15 1 1 A 122 122 ASN N N 122 118.416 124.507 -6.091 1 1 1387 . 15 1 1 A 123 123 ALA H H 123 8.547 8.425 0.122 1 1 1388 . 15 1 1 A 123 123 ALA HA H 123 4.597 4.658 -0.061 1 1 1392 . 15 1 1 A 123 123 ALA CA C 123 48.537 49.278 -0.741 1 1 1393 . 15 1 1 A 123 123 ALA CB C 123 19.998 21.697 -1.699 1 1 1394 . 15 1 1 A 123 123 ALA N N 123 124.108 123.433 0.675 1 1 1395 . 15 1 1 A 124 124 PRO HA H 124 4.537 4.522 0.015 1 1 1402 . 15 1 1 A 124 124 PRO CA C 124 60.979 62.556 -1.577 1 1 1403 . 15 1 1 A 124 124 PRO CB C 124 32.285 32.309 -0.024 1 1 1406 . 15 1 1 A 125 125 ALA H H 125 8.587 8.296 0.291 1 1 1407 . 15 1 1 A 125 125 ALA HA H 125 3.899 4.401 -0.502 1 1 1411 . 15 1 1 A 125 125 ALA CA C 125 52.692 52.992 -0.300 1 1 1412 . 15 1 1 A 125 125 ALA CB C 125 18.631 19.175 -0.544 1 1 1413 . 15 1 1 A 125 125 ALA N N 125 121.333 124.729 -3.396 1 1 1414 . 15 1 1 A 126 126 SER H H 126 8.227 8.851 -0.624 1 1 1415 . 15 1 1 A 126 126 SER HA H 126 4.616 4.660 -0.044 1 1 1418 . 15 1 1 A 126 126 SER CA C 126 59.168 58.047 1.121 1 1 1419 . 15 1 1 A 126 126 SER CB C 126 64.636 60.943 3.693 1 1 1420 . 15 1 1 A 126 126 SER N N 126 118.947 119.816 -0.869 1 1 1421 . 15 1 1 A 127 127 VAL H H 127 8.595 7.762 0.833 1 1 1422 . 15 1 1 A 127 127 VAL HA H 127 4.276 4.028 0.248 1 1 1430 . 15 1 1 A 127 127 VAL CA C 127 62.194 63.651 -1.457 1 1 1431 . 15 1 1 A 127 127 VAL CB C 127 32.852 31.897 0.955 1 1 1434 . 15 1 1 A 127 127 VAL N N 127 117.209 119.642 -2.433 1 1 1435 . 15 1 1 A 128 128 LEU H H 128 7.844 7.581 0.263 1 1 1436 . 15 1 1 A 128 128 LEU HA H 128 4.588 4.796 -0.208 1 1 1446 . 15 1 1 A 128 128 LEU CA C 128 53.639 53.425 0.214 1 1 1447 . 15 1 1 A 128 128 LEU CB C 128 44.574 45.651 -1.077 1 1 1451 . 15 1 1 A 128 128 LEU N N 128 121.103 122.859 -1.756 1 1 1452 . 15 1 1 A 129 129 ALA H H 129 8.377 8.851 -0.474 1 1 1453 . 15 1 1 A 129 129 ALA HA H 129 4.538 4.596 -0.058 1 1 1457 . 15 1 1 A 129 129 ALA CA C 129 53.476 50.666 2.810 1 1 1458 . 15 1 1 A 129 129 ALA CB C 129 20.982 18.369 2.613 1 1 1459 . 15 1 1 A 129 129 ALA N N 129 123.679 128.365 -4.686 1 1 1460 . 15 1 1 A 130 130 PRO HA H 130 4.669 4.638 0.031 1 1 1467 . 15 1 1 A 130 130 PRO CA C 130 62.314 62.459 -0.145 1 1 1468 . 15 1 1 A 130 130 PRO CB C 130 33.473 32.384 1.089 1 1 1471 . 15 1 1 A 131 131 SER H H 131 9.365 8.419 0.946 1 1 1472 . 15 1 1 A 131 131 SER HA H 131 4.520 4.538 -0.018 1 1 1475 . 15 1 1 A 131 131 SER CA C 131 59.385 57.800 1.585 1 1 1476 . 15 1 1 A 131 131 SER CB C 131 63.866 62.428 1.438 1 1 1477 . 15 1 1 A 131 131 SER N N 131 122.226 113.126 9.100 1 1 1478 . 15 1 1 A 132 132 ASP H H 132 8.608 8.513 0.095 1 1 1479 . 15 1 1 A 132 132 ASP HA H 132 5.260 4.788 0.472 1 1 1482 . 15 1 1 A 132 132 ASP CA C 132 53.345 53.482 -0.137 1 1 1483 . 15 1 1 A 132 132 ASP CB C 132 41.791 40.723 1.068 1 1 1484 . 15 1 1 A 132 132 ASP N N 132 124.814 123.554 1.260 1 1 1485 . 15 1 1 A 133 133 VAL H H 133 9.405 9.172 0.233 1 1 1486 . 15 1 1 A 133 133 VAL HA H 133 4.226 4.879 -0.653 1 1 1494 . 15 1 1 A 133 133 VAL CA C 133 61.669 60.686 0.983 1 1 1495 . 15 1 1 A 133 133 VAL CB C 133 34.448 34.359 0.089 1 1 1498 . 15 1 1 A 133 133 VAL N N 133 127.192 125.623 1.569 1 1 1499 . 15 1 1 A 134 134 ASP H H 134 8.468 9.214 -0.746 1 1 1500 . 15 1 1 A 134 134 ASP HA H 134 5.368 5.618 -0.250 1 1 1503 . 15 1 1 A 134 134 ASP CA C 134 52.326 52.349 -0.023 1 1 1504 . 15 1 1 A 134 134 ASP CB C 134 41.245 44.720 -3.475 1 1 1505 . 15 1 1 A 134 134 ASP N N 134 127.161 123.602 3.559 1 1 1506 . 15 1 1 A 135 135 ILE H H 135 9.406 8.748 0.658 1 1 1507 . 15 1 1 A 135 135 ILE HA H 135 4.636 4.891 -0.255 1 1 1517 . 15 1 1 A 135 135 ILE CA C 135 57.478 57.089 0.389 1 1 1518 . 15 1 1 A 135 135 ILE CB C 135 39.411 41.016 -1.605 1 1 1522 . 15 1 1 A 135 135 ILE N N 135 125.603 117.301 8.302 1 1 1523 . 15 1 1 A 136 136 PRO HA H 136 4.844 4.788 0.056 1 1 1530 . 15 1 1 A 136 136 PRO CA C 136 62.314 62.844 -0.530 1 1 1531 . 15 1 1 A 136 136 PRO CB C 136 31.563 32.424 -0.861 1 1 1534 . 15 1 1 A 137 137 LEU H H 137 9.196 8.819 0.377 1 1 1535 . 15 1 1 A 137 137 LEU HA H 137 4.739 4.836 -0.097 1 1 1545 . 15 1 1 A 137 137 LEU CA C 137 53.609 53.665 -0.056 1 1 1546 . 15 1 1 A 137 137 LEU CB C 137 45.473 45.787 -0.314 1 1 1550 . 15 1 1 A 137 137 LEU N N 137 124.087 123.188 0.899 1 1 1551 . 15 1 1 A 138 138 GLN H H 138 8.928 8.961 -0.033 1 1 1552 . 15 1 1 A 138 138 GLN HA H 138 4.581 4.692 -0.111 1 1 1559 . 15 1 1 A 138 138 GLN CA C 138 54.780 54.643 0.137 1 1 1560 . 15 1 1 A 138 138 GLN CB C 138 29.048 30.130 -1.082 1 1 1562 . 15 1 1 A 138 138 GLN N N 138 122.528 127.965 -5.437 1 1 1564 . 15 1 1 A 139 139 LEU H H 139 9.039 8.801 0.238 1 1 1565 . 15 1 1 A 139 139 LEU HA H 139 4.205 4.362 -0.157 1 1 1575 . 15 1 1 A 139 139 LEU CA C 139 52.367 53.983 -1.616 1 1 1576 . 15 1 1 A 139 139 LEU CB C 139 38.673 41.850 -3.177 1 1 1580 . 15 1 1 A 139 139 LEU N N 139 127.667 127.590 0.077 1 1 1581 . 15 1 1 A 140 140 LYS H H 140 8.078 8.658 -0.580 1 1 1582 . 15 1 1 A 140 140 LYS HA H 140 4.352 4.600 -0.248 1 1 1591 . 15 1 1 A 140 140 LYS CA C 140 56.826 55.345 1.481 1 1 1592 . 15 1 1 A 140 140 LYS CB C 140 32.657 34.257 -1.600 1 1 1596 . 15 1 1 A 140 140 LYS N N 140 124.108 123.041 1.067 1 1 1597 . 15 1 1 A 141 141 GLY H H 141 9.166 9.021 0.145 1 1 1598 . 15 1 1 A 141 141 GLY HA2 H 141 3.788 3.939 -0.151 1 1 1599 . 15 1 1 A 141 141 GLY HA3 H 141 4.119 3.950 0.169 1 1 1600 . 15 1 1 A 141 141 GLY CA C 141 45.682 45.819 -0.137 1 1 1601 . 15 1 1 A 141 141 GLY N N 141 110.698 111.846 -1.148 1 1 1602 . 15 1 1 A 142 142 ILE H H 142 7.112 7.831 -0.719 1 1 1603 . 15 1 1 A 142 142 ILE HA H 142 4.600 4.764 -0.164 1 1 1613 . 15 1 1 A 142 142 ILE CA C 142 58.547 60.012 -1.465 1 1 1614 . 15 1 1 A 142 142 ILE CB C 142 40.437 41.032 -0.595 1 1 1618 . 15 1 1 A 142 142 ILE N N 142 117.928 120.856 -2.928 1 1 1619 . 15 1 1 A 143 143 SER H H 143 8.381 9.074 -0.693 1 1 1620 . 15 1 1 A 143 143 SER HA H 143 4.613 4.481 0.132 1 1 1623 . 15 1 1 A 143 143 SER CA C 143 56.654 58.405 -1.751 1 1 1624 . 15 1 1 A 143 143 SER CB C 143 65.051 64.066 0.985 1 1 1625 . 15 1 1 A 143 143 SER N N 143 123.373 125.476 -2.103 1 1 1626 . 15 1 1 A 144 144 VAL H H 144 8.702 8.646 0.056 1 1 1627 . 15 1 1 A 144 144 VAL HA H 144 3.593 3.854 -0.261 1 1 1635 . 15 1 1 A 144 144 VAL CA C 144 65.655 65.186 0.469 1 1 1636 . 15 1 1 A 144 144 VAL CB C 144 31.434 31.664 -0.230 1 1 1639 . 15 1 1 A 144 144 VAL N N 144 120.791 126.151 -5.360 1 1 1640 . 15 1 1 A 145 145 ASP H H 145 8.151 8.208 -0.057 1 1 1641 . 15 1 1 A 145 145 ASP HA H 145 4.435 4.435 0.000 1 1 1644 . 15 1 1 A 145 145 ASP CA C 145 55.211 56.501 -1.290 1 1 1645 . 15 1 1 A 145 145 ASP CB C 145 40.268 40.672 -0.404 1 1 1646 . 15 1 1 A 145 145 ASP N N 145 115.698 120.900 -5.202 1 1 1647 . 15 1 1 A 146 146 GLN H H 146 7.553 7.513 0.040 1 1 1648 . 15 1 1 A 146 146 GLN HA H 146 4.302 4.431 -0.129 1 1 1655 . 15 1 1 A 146 146 GLN CA C 146 55.072 54.931 0.141 1 1 1656 . 15 1 1 A 146 146 GLN CB C 146 29.990 29.112 0.878 1 1 1658 . 15 1 1 A 146 146 GLN N N 146 117.118 115.913 1.205 1 1 1660 . 15 1 1 A 147 147 LEU H H 147 7.368 7.547 -0.179 1 1 1661 . 15 1 1 A 147 147 LEU HA H 147 4.119 4.394 -0.275 1 1 1671 . 15 1 1 A 147 147 LEU CA C 147 54.904 53.975 0.929 1 1 1672 . 15 1 1 A 147 147 LEU CB C 147 40.355 42.440 -2.085 1 1 1676 . 15 1 1 A 147 147 LEU N N 147 121.541 123.635 -2.094 1 1 1677 . 15 1 1 A 148 148 GLY H H 148 8.791 8.715 0.076 1 1 1678 . 15 1 1 A 148 148 GLY HA2 H 148 4.512 3.976 0.536 1 1 1679 . 15 1 1 A 148 148 GLY HA3 H 148 3.997 4.046 -0.049 1 1 1680 . 15 1 1 A 148 148 GLY CA C 148 45.610 47.127 -1.517 1 1 1681 . 15 1 1 A 148 148 GLY N N 148 116.322 113.997 2.325 1 1 1682 . 15 1 1 A 149 149 PHE H H 149 7.790 7.758 0.032 1 1 1683 . 15 1 1 A 149 149 PHE HA H 149 5.215 5.259 -0.044 1 1 1691 . 15 1 1 A 149 149 PHE CA C 149 56.942 56.012 0.930 1 1 1692 . 15 1 1 A 149 149 PHE CB C 149 42.019 42.937 -0.918 1 1 1696 . 15 1 1 A 149 149 PHE N N 149 113.675 113.192 0.483 1 1 1697 . 15 1 1 A 150 150 VAL H H 150 8.549 9.192 -0.643 1 1 1698 . 15 1 1 A 150 150 VAL HA H 150 4.776 4.635 0.141 1 1 1706 . 15 1 1 A 150 150 VAL CA C 150 61.068 61.622 -0.554 1 1 1707 . 15 1 1 A 150 150 VAL CB C 150 34.594 33.303 1.291 1 1 1710 . 15 1 1 A 150 150 VAL N N 150 118.208 120.420 -2.212 1 1 1711 . 15 1 1 A 151 151 ARG H H 151 9.953 9.507 0.446 1 1 1712 . 15 1 1 A 151 151 ARG HA H 151 5.783 5.162 0.621 1 1 1719 . 15 1 1 A 151 151 ARG CA C 151 53.530 55.703 -2.173 1 1 1720 . 15 1 1 A 151 151 ARG CB C 151 33.540 31.097 2.443 1 1 1723 . 15 1 1 A 151 151 ARG N N 151 128.446 128.796 -0.350 1 1 1724 . 15 1 1 A 152 152 ILE H H 152 8.905 8.821 0.084 1 1 1725 . 15 1 1 A 152 152 ILE HA H 152 5.188 4.808 0.380 1 1 1735 . 15 1 1 A 152 152 ILE CA C 152 60.464 60.690 -0.226 1 1 1736 . 15 1 1 A 152 152 ILE CB C 152 39.542 38.363 1.179 1 1 1740 . 15 1 1 A 152 152 ILE N N 152 127.149 128.610 -1.461 1 1 1741 . 15 1 1 A 153 153 HIS H H 153 8.941 8.641 0.300 1 1 1742 . 15 1 1 A 153 153 HIS HA H 153 5.074 4.942 0.132 1 1 1747 . 15 1 1 A 153 153 HIS CA C 153 53.417 54.522 -1.105 1 1 1748 . 15 1 1 A 153 153 HIS CB C 153 31.734 32.209 -0.475 1 1 1751 . 15 1 1 A 153 153 HIS N N 153 119.132 123.567 -4.435 1 1 1752 . 15 1 1 A 154 154 ASP H H 154 9.109 8.848 0.261 1 1 1753 . 15 1 1 A 154 154 ASP HA H 154 4.276 4.135 0.141 1 1 1756 . 15 1 1 A 154 154 ASP CA C 154 55.630 55.287 0.343 1 1 1757 . 15 1 1 A 154 154 ASP CB C 154 39.450 39.015 0.435 1 1 1758 . 15 1 1 A 154 154 ASP N N 154 116.420 116.489 -0.069 1 1 1759 . 15 1 1 A 155 155 ILE H H 155 8.062 8.003 0.059 1 1 1760 . 15 1 1 A 155 155 ILE HA H 155 5.051 4.271 0.780 1 1 1770 . 15 1 1 A 155 155 ILE CA C 155 59.666 61.374 -1.708 1 1 1771 . 15 1 1 A 155 155 ILE CB C 155 35.757 36.903 -1.146 1 1 1775 . 15 1 1 A 155 155 ILE N N 155 119.131 119.705 -0.574 1 1 1776 . 15 1 1 A 156 156 GLN H H 156 9.011 8.522 0.489 1 1 1777 . 15 1 1 A 156 156 GLN HA H 156 4.993 5.011 -0.018 1 1 1784 . 15 1 1 A 156 156 GLN CA C 156 51.975 53.026 -1.051 1 1 1785 . 15 1 1 A 156 156 GLN CB C 156 31.210 31.317 -0.107 1 1 1787 . 15 1 1 A 156 156 GLN N N 156 127.177 125.246 1.931 1 1 1789 . 15 1 1 A 157 157 PRO HA H 157 4.964 5.115 -0.151 1 1 1796 . 15 1 1 A 157 157 PRO CA C 157 61.770 62.863 -1.093 1 1 1797 . 15 1 1 A 157 157 PRO CB C 157 31.637 31.996 -0.359 1 1 1800 . 15 1 1 A 158 158 VAL H H 158 7.921 8.455 -0.534 1 1 1801 . 15 1 1 A 158 158 VAL HA H 158 4.107 4.593 -0.486 1 1 1809 . 15 1 1 A 158 158 VAL CA C 158 62.234 60.994 1.240 1 1 1810 . 15 1 1 A 158 158 VAL CB C 158 32.610 33.297 -0.687 1 1 1813 . 15 1 1 A 158 158 VAL N N 158 121.642 122.842 -1.200 1 1 1814 . 15 1 1 A 159 159 MET H H 159 8.544 8.921 -0.377 1 1 1815 . 15 1 1 A 159 159 MET HA H 159 4.548 5.024 -0.476 1 1 1820 . 15 1 1 A 159 159 MET CA C 159 54.731 54.087 0.644 1 1 1821 . 15 1 1 A 159 159 MET CB C 159 32.547 35.084 -2.537 1 1 1823 . 15 1 1 A 159 159 MET N N 159 124.452 128.948 -4.496 1 1 1824 . 15 1 1 A 160 160 GLN H H 160 8.434 8.425 0.009 1 1 1825 . 15 1 1 A 160 160 GLN HA H 160 4.354 4.707 -0.353 1 1 1832 . 15 1 1 A 160 160 GLN CA C 160 55.399 54.480 0.919 1 1 1833 . 15 1 1 A 160 160 GLN CB C 160 29.112 31.517 -2.405 1 1 1835 . 15 1 1 A 160 160 GLN N N 160 121.917 118.433 3.484 1 1 1837 . 15 1 1 A 161 161 LEU H H 161 8.325 8.726 -0.401 1 1 1838 . 15 1 1 A 161 161 LEU HA H 161 4.314 4.303 0.011 1 1 1848 . 15 1 1 A 161 161 LEU CA C 161 55.040 54.642 0.398 1 1 1849 . 15 1 1 A 161 161 LEU CB C 161 42.225 40.489 1.736 1 1 1853 . 15 1 1 A 161 161 LEU N N 161 123.826 122.646 1.180 1 1 1854 . 15 1 1 A 162 162 GLU H H 162 8.358 8.688 -0.330 1 1 1855 . 15 1 1 A 162 162 GLU HA H 162 4.216 4.912 -0.696 1 1 1860 . 15 1 1 A 162 162 GLU CA C 162 56.343 55.701 0.642 1 1 1861 . 15 1 1 A 162 162 GLU CB C 162 30.083 31.247 -1.164 1 1 1863 . 15 1 1 A 162 162 GLU N N 162 121.293 126.010 -4.717 1 1 1864 . 15 1 1 A 163 163 HIS H H 163 8.376 8.833 -0.457 1 1 1865 . 15 1 1 A 163 163 HIS HA H 163 4.641 5.163 -0.522 1 1 1868 . 15 1 1 A 163 163 HIS CA C 163 55.437 53.869 1.568 1 1 1869 . 15 1 1 A 163 163 HIS CB C 163 29.412 31.305 -1.893 1 1 1870 . 15 1 1 A 163 163 HIS N N 163 121.307 119.816 1.491 1 1 1871 . 15 1 1 A 164 164 HIS H H 164 8.289 8.311 -0.022 1 1 1872 . 15 1 1 A 164 164 HIS N N 164 125.228 119.557 5.671 1 1 1873 . 15 1 1 A 166 166 HIS HA H 166 4.300 4.393 -0.093 1 1 1876 . 15 1 1 A 166 166 HIS CA C 166 55.708 56.279 -0.571 1 1 1877 . 15 1 1 A 166 166 HIS CB C 166 29.207 30.175 -0.968 1 1 1878 . 15 1 1 A 167 167 HIS H H 167 8.591 8.970 -0.379 1 1 1879 . 15 1 1 A 167 167 HIS HA H 167 4.541 4.499 0.042 1 1 1882 . 15 1 1 A 167 167 HIS CA C 167 54.678 58.224 -3.546 1 1 1883 . 15 1 1 A 167 167 HIS CB C 167 26.256 30.989 -4.733 1 1 1884 . 15 1 1 A 167 167 HIS N N 167 121.317 126.307 -4.990 1 1 1 . 16 1 1 A 2 2 VAL HA H 2 3.850 4.879 -1.029 1 1 9 . 16 1 1 A 2 2 VAL CA C 2 61.400 61.256 0.144 1 1 10 . 16 1 1 A 2 2 VAL CB C 2 32.400 34.694 -2.294 1 1 13 . 16 1 1 A 3 3 GLN HA H 3 4.445 5.358 -0.913 1 1 18 . 16 1 1 A 3 3 GLN CA C 3 55.467 54.585 0.882 1 1 19 . 16 1 1 A 3 3 GLN CB C 3 29.271 31.764 -2.493 1 1 21 . 16 1 1 A 4 4 GLN H H 4 8.703 8.937 -0.234 1 1 22 . 16 1 1 A 4 4 GLN HA H 4 4.356 5.139 -0.783 1 1 27 . 16 1 1 A 4 4 GLN CA C 4 55.961 54.409 1.552 1 1 28 . 16 1 1 A 4 4 GLN CB C 4 29.178 32.566 -3.388 1 1 30 . 16 1 1 A 4 4 GLN N N 4 123.281 125.198 -1.917 1 1 31 . 16 1 1 A 5 5 SER H H 5 8.426 8.600 -0.174 1 1 32 . 16 1 1 A 5 5 SER HA H 5 4.424 4.962 -0.538 1 1 35 . 16 1 1 A 5 5 SER CA C 5 58.498 57.283 1.215 1 1 36 . 16 1 1 A 5 5 SER CB C 5 63.534 64.212 -0.678 1 1 37 . 16 1 1 A 5 5 SER N N 5 116.845 117.652 -0.807 1 1 38 . 16 1 1 A 6 6 GLU H H 6 8.434 8.536 -0.102 1 1 39 . 16 1 1 A 6 6 GLU HA H 6 4.342 4.991 -0.649 1 1 44 . 16 1 1 A 6 6 GLU CA C 6 56.410 54.961 1.449 1 1 45 . 16 1 1 A 6 6 GLU CB C 6 29.873 32.055 -2.182 1 1 47 . 16 1 1 A 6 6 GLU N N 6 122.965 125.566 -2.601 1 1 48 . 16 1 1 A 7 7 VAL H H 7 8.131 8.557 -0.426 1 1 49 . 16 1 1 A 7 7 VAL HA H 7 4.063 4.760 -0.697 1 1 57 . 16 1 1 A 7 7 VAL CA C 7 62.213 61.438 0.775 1 1 58 . 16 1 1 A 7 7 VAL CB C 7 32.391 32.900 -0.509 1 1 61 . 16 1 1 A 7 7 VAL N N 7 121.508 122.867 -1.359 1 1 62 . 16 1 1 A 8 8 ARG H H 8 8.376 8.948 -0.572 1 1 63 . 16 1 1 A 8 8 ARG HA H 8 4.335 5.193 -0.858 1 1 70 . 16 1 1 A 8 8 ARG CA C 8 56.013 54.230 1.783 1 1 71 . 16 1 1 A 8 8 ARG CB C 8 30.528 33.960 -3.432 1 1 74 . 16 1 1 A 8 8 ARG N N 8 124.504 127.859 -3.355 1 1 75 . 16 1 1 A 9 9 GLN H H 9 8.360 8.587 -0.227 1 1 76 . 16 1 1 A 9 9 GLN HA H 9 4.353 4.765 -0.412 1 1 81 . 16 1 1 A 9 9 GLN CA C 9 55.446 54.172 1.274 1 1 82 . 16 1 1 A 9 9 GLN CB C 9 29.236 29.900 -0.664 1 1 84 . 16 1 1 A 9 9 GLN N N 9 121.537 123.749 -2.212 1 1 85 . 16 1 1 A 10 10 MET H H 10 8.391 8.745 -0.354 1 1 86 . 16 1 1 A 10 10 MET HA H 10 4.459 5.141 -0.682 1 1 91 . 16 1 1 A 10 10 MET CA C 10 55.062 53.377 1.685 1 1 92 . 16 1 1 A 10 10 MET CB C 10 32.482 35.679 -3.197 1 1 94 . 16 1 1 A 10 10 MET N N 10 122.199 115.734 6.465 1 1 95 . 16 1 1 A 11 11 LYS H H 11 8.317 8.315 0.002 1 1 96 . 16 1 1 A 11 11 LYS HA H 11 4.296 4.519 -0.223 1 1 105 . 16 1 1 A 11 11 LYS CA C 11 56.114 55.949 0.165 1 1 106 . 16 1 1 A 11 11 LYS CB C 11 32.372 33.146 -0.774 1 1 110 . 16 1 1 A 11 11 LYS N N 11 122.440 124.015 -1.575 1 1 111 . 16 1 1 A 12 12 HIS H H 12 8.489 8.687 -0.198 1 1 112 . 16 1 1 A 12 12 HIS HA H 12 4.748 4.715 0.033 1 1 116 . 16 1 1 A 12 12 HIS CA C 12 55.052 56.551 -1.499 1 1 117 . 16 1 1 A 12 12 HIS CB C 12 29.094 30.441 -1.347 1 1 119 . 16 1 1 A 12 12 HIS N N 12 119.934 126.720 -6.786 1 1 120 . 16 1 1 A 13 13 SER H H 13 8.401 8.981 -0.580 1 1 121 . 16 1 1 A 13 13 SER HA H 13 4.518 4.757 -0.239 1 1 124 . 16 1 1 A 13 13 SER CA C 13 57.855 57.127 0.728 1 1 125 . 16 1 1 A 13 13 SER CB C 13 63.750 63.781 -0.031 1 1 126 . 16 1 1 A 13 13 SER N N 13 117.596 119.108 -1.512 1 1 127 . 16 1 1 A 14 14 VAL H H 14 8.285 8.881 -0.596 1 1 128 . 16 1 1 A 14 14 VAL HA H 14 4.239 4.973 -0.734 1 1 136 . 16 1 1 A 14 14 VAL CA C 14 62.078 60.097 1.981 1 1 137 . 16 1 1 A 14 14 VAL CB C 14 32.564 34.305 -1.741 1 1 140 . 16 1 1 A 14 14 VAL N N 14 121.378 122.957 -1.579 1 1 141 . 16 1 1 A 15 15 SER H H 15 8.419 8.617 -0.198 1 1 142 . 16 1 1 A 15 15 SER HA H 15 4.556 4.943 -0.387 1 1 145 . 16 1 1 A 15 15 SER CA C 15 57.855 57.702 0.153 1 1 146 . 16 1 1 A 15 15 SER CB C 15 63.600 64.904 -1.304 1 1 147 . 16 1 1 A 15 15 SER N N 15 119.022 116.190 2.832 1 1 148 . 16 1 1 A 16 16 THR H H 16 8.189 8.705 -0.516 1 1 149 . 16 1 1 A 16 16 THR HA H 16 4.362 5.137 -0.775 1 1 154 . 16 1 1 A 16 16 THR CA C 16 61.510 59.897 1.613 1 1 155 . 16 1 1 A 16 16 THR CB C 16 69.292 71.558 -2.266 1 1 157 . 16 1 1 A 16 16 THR N N 16 116.040 118.926 -2.886 1 1 158 . 16 1 1 A 17 17 LEU H H 17 8.168 8.789 -0.621 1 1 159 . 16 1 1 A 17 17 LEU HA H 17 4.331 4.906 -0.575 1 1 169 . 16 1 1 A 17 17 LEU CA C 17 55.446 53.543 1.903 1 1 170 . 16 1 1 A 17 17 LEU CB C 17 42.032 45.055 -3.023 1 1 174 . 16 1 1 A 17 17 LEU N N 17 123.796 114.769 9.027 1 1 175 . 16 1 1 A 18 18 ASN H H 18 8.406 8.488 -0.082 1 1 176 . 16 1 1 A 18 18 ASN HA H 18 4.685 4.814 -0.129 1 1 181 . 16 1 1 A 18 18 ASN CA C 18 53.276 53.571 -0.295 1 1 182 . 16 1 1 A 18 18 ASN CB C 18 38.462 38.330 0.132 1 1 183 . 16 1 1 A 18 18 ASN N N 18 119.197 117.613 1.584 1 1 185 . 16 1 1 A 19 19 GLN H H 19 8.346 8.790 -0.444 1 1 186 . 16 1 1 A 19 19 GLN HA H 19 4.319 4.838 -0.519 1 1 193 . 16 1 1 A 19 19 GLN CA C 19 56.075 53.909 2.166 1 1 194 . 16 1 1 A 19 19 GLN CB C 19 29.077 32.710 -3.633 1 1 196 . 16 1 1 A 19 19 GLN N N 19 120.620 122.617 -1.997 1 1 198 . 16 1 1 A 20 20 GLU H H 20 8.474 8.333 0.141 1 1 199 . 16 1 1 A 20 20 GLU HA H 20 4.269 4.468 -0.199 1 1 204 . 16 1 1 A 20 20 GLU CA C 20 56.932 56.468 0.464 1 1 205 . 16 1 1 A 20 20 GLU CB C 20 29.694 30.233 -0.539 1 1 207 . 16 1 1 A 20 20 GLU N N 20 121.410 120.622 0.788 1 1 208 . 16 1 1 A 21 21 MET H H 21 8.366 8.459 -0.093 1 1 209 . 16 1 1 A 21 21 MET HA H 21 4.538 4.402 0.136 1 1 214 . 16 1 1 A 21 21 MET CA C 21 55.812 56.240 -0.428 1 1 215 . 16 1 1 A 21 21 MET CB C 21 32.188 33.709 -1.521 1 1 217 . 16 1 1 A 21 21 MET N N 21 120.618 124.734 -4.116 1 1 218 . 16 1 1 A 22 22 THR H H 22 8.127 8.419 -0.292 1 1 219 . 16 1 1 A 22 22 THR HA H 22 4.299 4.639 -0.340 1 1 224 . 16 1 1 A 22 22 THR CA C 22 62.287 60.986 1.301 1 1 225 . 16 1 1 A 22 22 THR CB C 22 69.174 70.245 -1.071 1 1 227 . 16 1 1 A 22 22 THR N N 22 114.858 115.824 -0.966 1 1 228 . 16 1 1 A 23 23 GLN H H 23 8.342 8.531 -0.189 1 1 229 . 16 1 1 A 23 23 GLN HA H 23 4.339 4.269 0.070 1 1 236 . 16 1 1 A 23 23 GLN CA C 23 56.148 56.829 -0.681 1 1 237 . 16 1 1 A 23 23 GLN CB C 23 29.112 29.373 -0.261 1 1 239 . 16 1 1 A 23 23 GLN N N 23 122.047 119.695 2.352 1 1 241 . 16 1 1 A 24 24 LEU H H 24 8.174 8.139 0.035 1 1 242 . 16 1 1 A 24 24 LEU HA H 24 4.334 4.255 0.079 1 1 252 . 16 1 1 A 24 24 LEU CA C 24 55.519 56.001 -0.482 1 1 253 . 16 1 1 A 24 24 LEU CB C 24 42.146 43.205 -1.059 1 1 257 . 16 1 1 A 24 24 LEU N N 24 122.328 123.765 -1.437 1 1 258 . 16 1 1 A 25 25 ASN H H 25 8.384 8.941 -0.557 1 1 259 . 16 1 1 A 25 25 ASN HA H 25 4.692 4.879 -0.187 1 1 264 . 16 1 1 A 25 25 ASN CA C 25 53.481 52.323 1.158 1 1 265 . 16 1 1 A 25 25 ASN CB C 25 38.445 39.907 -1.462 1 1 266 . 16 1 1 A 25 25 ASN N N 25 119.262 124.264 -5.002 1 1 268 . 16 1 1 A 26 26 GLN H H 26 8.453 8.875 -0.422 1 1 269 . 16 1 1 A 26 26 GLN HA H 26 4.215 3.933 0.282 1 1 276 . 16 1 1 A 26 26 GLN CA C 26 57.037 59.260 -2.223 1 1 277 . 16 1 1 A 26 26 GLN CB C 26 28.996 28.068 0.928 1 1 279 . 16 1 1 A 26 26 GLN N N 26 120.394 122.056 -1.662 1 1 281 . 16 1 1 A 27 27 GLU H H 27 8.501 8.303 0.198 1 1 282 . 16 1 1 A 27 27 GLU HA H 27 4.202 4.074 0.128 1 1 287 . 16 1 1 A 27 27 GLU CA C 27 58.573 59.389 -0.816 1 1 288 . 16 1 1 A 27 27 GLU CB C 27 29.349 29.787 -0.438 1 1 290 . 16 1 1 A 27 27 GLU N N 27 121.130 119.602 1.528 1 1 291 . 16 1 1 A 28 28 THR H H 28 8.032 8.071 -0.039 1 1 292 . 16 1 1 A 28 28 THR HA H 28 4.079 3.991 0.088 1 1 297 . 16 1 1 A 28 28 THR CA C 28 64.762 66.689 -1.927 1 1 298 . 16 1 1 A 28 28 THR CB C 28 68.354 67.827 0.527 1 1 300 . 16 1 1 A 28 28 THR N N 28 114.032 117.219 -3.187 1 1 301 . 16 1 1 A 29 29 VAL H H 29 7.969 8.228 -0.259 1 1 302 . 16 1 1 A 29 29 VAL HA H 29 3.812 3.605 0.207 1 1 310 . 16 1 1 A 29 29 VAL CA C 29 65.572 66.890 -1.318 1 1 311 . 16 1 1 A 29 29 VAL CB C 29 31.624 31.319 0.305 1 1 314 . 16 1 1 A 29 29 VAL N N 29 122.215 122.045 0.170 1 1 315 . 16 1 1 A 30 30 LYS H H 30 7.910 8.011 -0.101 1 1 316 . 16 1 1 A 30 30 LYS HA H 30 4.175 4.012 0.163 1 1 325 . 16 1 1 A 30 30 LYS CA C 30 57.780 59.249 -1.469 1 1 326 . 16 1 1 A 30 30 LYS CB C 30 31.537 32.175 -0.638 1 1 330 . 16 1 1 A 30 30 LYS N N 30 119.387 120.309 -0.922 1 1 331 . 16 1 1 A 31 31 ILE H H 31 8.277 8.004 0.273 1 1 332 . 16 1 1 A 31 31 ILE HA H 31 3.602 3.599 0.003 1 1 342 . 16 1 1 A 31 31 ILE CA C 31 65.712 65.483 0.229 1 1 343 . 16 1 1 A 31 31 ILE CB C 31 38.559 37.953 0.606 1 1 347 . 16 1 1 A 31 31 ILE N N 31 121.053 120.265 0.788 1 1 348 . 16 1 1 A 32 32 THR H H 32 7.896 8.177 -0.281 1 1 349 . 16 1 1 A 32 32 THR HA H 32 4.004 3.815 0.189 1 1 354 . 16 1 1 A 32 32 THR CA C 32 65.922 66.919 -0.997 1 1 355 . 16 1 1 A 32 32 THR CB C 32 68.400 68.359 0.041 1 1 357 . 16 1 1 A 32 32 THR N N 32 115.554 117.193 -1.639 1 1 358 . 16 1 1 A 33 33 GLN H H 33 8.279 7.899 0.380 1 1 359 . 16 1 1 A 33 33 GLN HA H 33 3.887 3.890 -0.003 1 1 366 . 16 1 1 A 33 33 GLN CA C 33 59.052 59.155 -0.103 1 1 367 . 16 1 1 A 33 33 GLN CB C 33 27.889 28.079 -0.190 1 1 369 . 16 1 1 A 33 33 GLN N N 33 120.920 121.541 -0.621 1 1 371 . 16 1 1 A 34 34 GLN H H 34 8.671 7.987 0.684 1 1 372 . 16 1 1 A 34 34 GLN HA H 34 3.615 3.992 -0.377 1 1 379 . 16 1 1 A 34 34 GLN CA C 34 60.424 58.941 1.483 1 1 380 . 16 1 1 A 34 34 GLN CB C 34 30.058 28.293 1.765 1 1 382 . 16 1 1 A 34 34 GLN N N 34 120.388 118.877 1.511 1 1 384 . 16 1 1 A 35 35 ASN H H 35 8.636 8.272 0.364 1 1 385 . 16 1 1 A 35 35 ASN HA H 35 4.595 4.508 0.087 1 1 390 . 16 1 1 A 35 35 ASN CA C 35 55.363 55.694 -0.331 1 1 391 . 16 1 1 A 35 35 ASN CB C 35 36.904 38.017 -1.113 1 1 392 . 16 1 1 A 35 35 ASN N N 35 116.477 117.829 -1.352 1 1 394 . 16 1 1 A 36 36 ARG H H 36 8.321 7.590 0.731 1 1 395 . 16 1 1 A 36 36 ARG HA H 36 4.142 4.032 0.110 1 1 402 . 16 1 1 A 36 36 ARG CA C 36 58.582 58.915 -0.333 1 1 403 . 16 1 1 A 36 36 ARG CB C 36 29.712 30.226 -0.514 1 1 406 . 16 1 1 A 36 36 ARG N N 36 121.347 120.428 0.919 1 1 407 . 16 1 1 A 37 37 LEU H H 37 8.251 8.084 0.167 1 1 408 . 16 1 1 A 37 37 LEU HA H 37 3.788 3.673 0.115 1 1 418 . 16 1 1 A 37 37 LEU CA C 37 57.094 57.799 -0.705 1 1 419 . 16 1 1 A 37 37 LEU CB C 37 40.554 40.739 -0.185 1 1 423 . 16 1 1 A 37 37 LEU N N 37 120.862 120.017 0.845 1 1 424 . 16 1 1 A 38 38 ASN H H 38 8.047 8.696 -0.649 1 1 425 . 16 1 1 A 38 38 ASN HA H 38 5.134 4.519 0.615 1 1 430 . 16 1 1 A 38 38 ASN CA C 38 54.413 56.364 -1.951 1 1 431 . 16 1 1 A 38 38 ASN CB C 38 38.069 37.874 0.195 1 1 432 . 16 1 1 A 38 38 ASN N N 38 115.574 118.188 -2.614 1 1 434 . 16 1 1 A 39 39 ALA H H 39 7.878 7.880 -0.002 1 1 435 . 16 1 1 A 39 39 ALA HA H 39 4.342 4.023 0.319 1 1 439 . 16 1 1 A 39 39 ALA CA C 39 53.981 54.995 -1.014 1 1 440 . 16 1 1 A 39 39 ALA CB C 39 18.340 18.423 -0.083 1 1 441 . 16 1 1 A 39 39 ALA N N 39 123.076 122.633 0.443 1 1 442 . 16 1 1 A 40 40 LYS H H 40 7.431 7.632 -0.201 1 1 443 . 16 1 1 A 40 40 LYS HA H 40 4.528 4.273 0.255 1 1 452 . 16 1 1 A 40 40 LYS CA C 40 55.285 58.297 -3.012 1 1 453 . 16 1 1 A 40 40 LYS CB C 40 32.852 32.746 0.106 1 1 457 . 16 1 1 A 40 40 LYS N N 40 114.889 116.747 -1.858 1 1 458 . 16 1 1 A 41 41 SER H H 41 7.671 7.762 -0.091 1 1 459 . 16 1 1 A 41 41 SER HA H 41 4.615 4.635 -0.020 1 1 462 . 16 1 1 A 41 41 SER CA C 41 58.189 56.912 1.277 1 1 463 . 16 1 1 A 41 41 SER CB C 41 63.924 63.823 0.101 1 1 464 . 16 1 1 A 41 41 SER N N 41 114.795 114.720 0.075 1 1 465 . 16 1 1 A 42 42 SER H H 42 8.927 9.068 -0.141 1 1 466 . 16 1 1 A 42 42 SER HA H 42 4.792 4.718 0.074 1 1 469 . 16 1 1 A 42 42 SER CA C 42 58.133 57.737 0.396 1 1 470 . 16 1 1 A 42 42 SER CB C 42 63.712 63.707 0.005 1 1 471 . 16 1 1 A 42 42 SER N N 42 120.934 124.659 -3.725 1 1 472 . 16 1 1 A 43 43 SER H H 43 8.320 7.180 1.140 1 1 473 . 16 1 1 A 43 43 SER HA H 43 4.654 4.701 -0.047 1 1 476 . 16 1 1 A 43 43 SER CA C 43 57.309 57.707 -0.398 1 1 477 . 16 1 1 A 43 43 SER CB C 43 63.151 64.024 -0.873 1 1 478 . 16 1 1 A 43 43 SER N N 43 115.966 116.907 -0.941 1 1 479 . 16 1 1 A 44 44 GLY H H 44 8.182 7.359 0.823 1 1 480 . 16 1 1 A 44 44 GLY HA2 H 44 4.206 4.043 0.163 1 1 481 . 16 1 1 A 44 44 GLY HA3 H 44 4.399 4.094 0.305 1 1 482 . 16 1 1 A 44 44 GLY CA C 44 44.540 44.330 0.210 1 1 483 . 16 1 1 A 44 44 GLY N N 44 110.764 108.869 1.895 1 1 484 . 16 1 1 A 45 45 VAL H H 45 8.341 8.301 0.040 1 1 485 . 16 1 1 A 45 45 VAL HA H 45 4.845 4.956 -0.111 1 1 493 . 16 1 1 A 45 45 VAL CA C 45 58.981 60.302 -1.321 1 1 494 . 16 1 1 A 45 45 VAL CB C 45 35.239 33.712 1.527 1 1 497 . 16 1 1 A 45 45 VAL N N 45 114.116 116.286 -2.170 1 1 498 . 16 1 1 A 46 46 TYR H H 46 10.501 9.156 1.345 1 1 499 . 16 1 1 A 46 46 TYR HA H 46 5.004 5.158 -0.154 1 1 506 . 16 1 1 A 46 46 TYR CA C 46 58.121 57.190 0.931 1 1 507 . 16 1 1 A 46 46 TYR CB C 46 41.382 40.197 1.185 1 1 510 . 16 1 1 A 46 46 TYR N N 46 123.384 123.067 0.317 1 1 511 . 16 1 1 A 47 47 LEU H H 47 9.364 9.184 0.180 1 1 512 . 16 1 1 A 47 47 LEU HA H 47 4.695 4.946 -0.251 1 1 522 . 16 1 1 A 47 47 LEU CA C 47 52.769 53.791 -1.022 1 1 523 . 16 1 1 A 47 47 LEU CB C 47 44.689 44.283 0.406 1 1 527 . 16 1 1 A 47 47 LEU N N 47 118.822 123.515 -4.693 1 1 528 . 16 1 1 A 48 48 LEU H H 48 9.128 8.697 0.431 1 1 529 . 16 1 1 A 48 48 LEU HA H 48 5.232 4.799 0.433 1 1 539 . 16 1 1 A 48 48 LEU CA C 48 51.100 51.667 -0.567 1 1 540 . 16 1 1 A 48 48 LEU CB C 48 40.141 42.257 -2.116 1 1 544 . 16 1 1 A 48 48 LEU N N 48 123.384 125.841 -2.457 1 1 545 . 16 1 1 A 49 49 PRO HA H 49 4.090 4.371 -0.281 1 1 552 . 16 1 1 A 49 49 PRO CA C 49 64.912 64.581 0.331 1 1 553 . 16 1 1 A 49 49 PRO CB C 49 31.607 31.886 -0.279 1 1 556 . 16 1 1 A 50 50 GLY H H 50 9.181 8.441 0.740 1 1 557 . 16 1 1 A 50 50 GLY HA2 H 50 3.933 3.969 -0.036 1 1 558 . 16 1 1 A 50 50 GLY HA3 H 50 4.757 3.971 0.786 1 1 559 . 16 1 1 A 50 50 GLY CA C 50 45.499 45.157 0.342 1 1 560 . 16 1 1 A 50 50 GLY N N 50 106.827 106.792 0.035 1 1 561 . 16 1 1 A 51 51 ALA H H 51 7.857 7.448 0.409 1 1 562 . 16 1 1 A 51 51 ALA HA H 51 4.264 4.632 -0.368 1 1 566 . 16 1 1 A 51 51 ALA CA C 51 53.156 51.121 2.035 1 1 567 . 16 1 1 A 51 51 ALA CB C 51 18.492 20.251 -1.759 1 1 568 . 16 1 1 A 51 51 ALA N N 51 120.192 121.734 -1.542 1 1 569 . 16 1 1 A 52 52 LYS H H 52 7.787 8.458 -0.671 1 1 570 . 16 1 1 A 52 52 LYS HA H 52 4.094 4.397 -0.303 1 1 579 . 16 1 1 A 52 52 LYS CA C 52 56.979 57.053 -0.074 1 1 580 . 16 1 1 A 52 52 LYS CB C 52 30.731 32.501 -1.770 1 1 584 . 16 1 1 A 52 52 LYS N N 52 115.260 123.021 -7.761 1 1 585 . 16 1 1 A 53 53 THR H H 53 8.043 7.439 0.604 1 1 586 . 16 1 1 A 53 53 THR HA H 53 4.924 4.589 0.335 1 1 591 . 16 1 1 A 53 53 THR CA C 53 59.565 59.854 -0.289 1 1 592 . 16 1 1 A 53 53 THR CB C 53 72.729 69.165 3.564 1 1 594 . 16 1 1 A 53 53 THR N N 53 114.085 112.080 2.005 1 1 595 . 16 1 1 A 54 54 PRO HA H 54 4.860 4.953 -0.093 1 1 602 . 16 1 1 A 54 54 PRO CA C 54 62.176 62.370 -0.194 1 1 603 . 16 1 1 A 54 54 PRO CB C 54 32.820 33.188 -0.368 1 1 606 . 16 1 1 A 55 55 ALA H H 55 8.834 8.321 0.513 1 1 607 . 16 1 1 A 55 55 ALA HA H 55 4.824 4.898 -0.074 1 1 611 . 16 1 1 A 55 55 ALA CA C 55 50.500 50.919 -0.419 1 1 612 . 16 1 1 A 55 55 ALA CB C 55 22.858 22.898 -0.040 1 1 613 . 16 1 1 A 55 55 ALA N N 55 122.227 120.881 1.346 1 1 614 . 16 1 1 A 56 56 ARG H H 56 8.445 8.578 -0.133 1 1 615 . 16 1 1 A 56 56 ARG HA H 56 5.262 4.519 0.743 1 1 623 . 16 1 1 A 56 56 ARG CA C 56 54.401 55.761 -1.360 1 1 624 . 16 1 1 A 56 56 ARG CB C 56 32.849 30.842 2.007 1 1 627 . 16 1 1 A 56 56 ARG N N 56 121.194 123.456 -2.262 1 1 629 . 16 1 1 A 57 57 LEU H H 57 9.159 9.091 0.068 1 1 630 . 16 1 1 A 57 57 LEU HA H 57 4.672 5.013 -0.341 1 1 640 . 16 1 1 A 57 57 LEU CA C 57 53.028 53.838 -0.810 1 1 641 . 16 1 1 A 57 57 LEU CB C 57 46.231 44.212 2.019 1 1 645 . 16 1 1 A 57 57 LEU N N 57 125.694 128.932 -3.238 1 1 646 . 16 1 1 A 58 58 GLU H H 58 8.890 8.917 -0.027 1 1 647 . 16 1 1 A 58 58 GLU HA H 58 4.535 4.794 -0.259 1 1 652 . 16 1 1 A 58 58 GLU CA C 58 55.733 55.202 0.531 1 1 653 . 16 1 1 A 58 58 GLU CB C 58 27.970 30.699 -2.729 1 1 655 . 16 1 1 A 58 58 GLU N N 58 127.677 128.595 -0.918 1 1 656 . 16 1 1 A 59 59 SER H H 59 7.772 8.813 -1.041 1 1 657 . 16 1 1 A 59 59 SER HA H 59 4.970 4.953 0.017 1 1 661 . 16 1 1 A 59 59 SER CA C 59 57.576 56.416 1.160 1 1 662 . 16 1 1 A 59 59 SER CB C 59 69.174 66.195 2.979 1 1 663 . 16 1 1 A 59 59 SER N N 59 121.860 120.380 1.480 1 1 664 . 16 1 1 A 60 60 GLN H H 60 9.336 8.239 1.097 1 1 665 . 16 1 1 A 60 60 GLN HA H 60 4.262 4.235 0.027 1 1 672 . 16 1 1 A 60 60 GLN CA C 60 57.792 57.975 -0.183 1 1 673 . 16 1 1 A 60 60 GLN CB C 60 29.669 28.295 1.374 1 1 675 . 16 1 1 A 60 60 GLN N N 60 119.522 118.338 1.184 1 1 677 . 16 1 1 A 61 61 ILE H H 61 8.007 7.511 0.496 1 1 678 . 16 1 1 A 61 61 ILE HA H 61 4.623 4.404 0.219 1 1 688 . 16 1 1 A 61 61 ILE CA C 61 59.813 60.998 -1.185 1 1 689 . 16 1 1 A 61 61 ILE CB C 61 37.013 39.306 -2.293 1 1 693 . 16 1 1 A 61 61 ILE N N 61 109.398 112.165 -2.767 1 1 694 . 16 1 1 A 62 62 GLY H H 62 7.223 7.131 0.092 1 1 695 . 16 1 1 A 62 62 GLY HA2 H 62 4.493 4.015 0.478 1 1 696 . 16 1 1 A 62 62 GLY HA3 H 62 3.872 4.031 -0.159 1 1 697 . 16 1 1 A 62 62 GLY CA C 62 43.022 45.496 -2.474 1 1 698 . 16 1 1 A 62 62 GLY N N 62 109.035 109.295 -0.260 1 1 699 . 16 1 1 A 63 63 THR H H 63 8.910 8.598 0.312 1 1 700 . 16 1 1 A 63 63 THR HA H 63 4.599 4.638 -0.039 1 1 705 . 16 1 1 A 63 63 THR CA C 63 64.037 63.336 0.701 1 1 706 . 16 1 1 A 63 63 THR CB C 63 68.111 69.269 -1.158 1 1 708 . 16 1 1 A 63 63 THR N N 63 119.711 116.501 3.210 1 1 709 . 16 1 1 A 64 64 LEU H H 64 9.070 9.293 -0.223 1 1 710 . 16 1 1 A 64 64 LEU HA H 64 5.120 5.353 -0.233 1 1 720 . 16 1 1 A 64 64 LEU CA C 64 52.680 52.473 0.207 1 1 721 . 16 1 1 A 64 64 LEU CB C 64 44.749 46.073 -1.324 1 1 725 . 16 1 1 A 64 64 LEU N N 64 127.640 123.732 3.908 1 1 726 . 16 1 1 A 65 65 ARG H H 65 9.271 8.928 0.343 1 1 727 . 16 1 1 A 65 65 ARG HA H 65 4.989 5.209 -0.220 1 1 735 . 16 1 1 A 65 65 ARG CA C 65 54.814 54.715 0.099 1 1 736 . 16 1 1 A 65 65 ARG CB C 65 31.836 33.061 -1.225 1 1 739 . 16 1 1 A 65 65 ARG N N 65 122.680 119.771 2.909 1 1 741 . 16 1 1 A 66 66 MET H H 66 9.310 8.835 0.475 1 1 742 . 16 1 1 A 66 66 MET HA H 66 5.822 5.974 -0.152 1 1 747 . 16 1 1 A 66 66 MET CA C 66 53.936 54.032 -0.096 1 1 748 . 16 1 1 A 66 66 MET CB C 66 35.912 34.504 1.408 1 1 750 . 16 1 1 A 66 66 MET N N 66 125.309 126.151 -0.842 1 1 751 . 16 1 1 A 67 67 SER H H 67 8.943 8.571 0.372 1 1 752 . 16 1 1 A 67 67 SER HA H 67 4.660 5.077 -0.417 1 1 755 . 16 1 1 A 67 67 SER CA C 67 57.460 57.100 0.360 1 1 756 . 16 1 1 A 67 67 SER CB C 67 65.747 66.447 -0.700 1 1 757 . 16 1 1 A 67 67 SER N N 67 112.115 114.741 -2.626 1 1 758 . 16 1 1 A 68 68 LEU H H 68 8.410 8.768 -0.358 1 1 759 . 16 1 1 A 68 68 LEU HA H 68 5.115 5.119 -0.004 1 1 769 . 16 1 1 A 68 68 LEU CA C 68 52.837 53.542 -0.705 1 1 770 . 16 1 1 A 68 68 LEU CB C 68 42.269 42.671 -0.402 1 1 774 . 16 1 1 A 68 68 LEU N N 68 118.367 122.496 -4.129 1 1 775 . 16 1 1 A 69 69 VAL H H 69 9.060 8.502 0.558 1 1 776 . 16 1 1 A 69 69 VAL HA H 69 4.440 4.601 -0.161 1 1 784 . 16 1 1 A 69 69 VAL CA C 69 59.852 59.533 0.319 1 1 785 . 16 1 1 A 69 69 VAL CB C 69 35.349 35.347 0.002 1 1 788 . 16 1 1 A 69 69 VAL N N 69 119.888 118.459 1.429 1 1 789 . 16 1 1 A 70 70 ASN H H 70 8.651 8.767 -0.116 1 1 790 . 16 1 1 A 70 70 ASN HA H 70 4.345 4.227 0.118 1 1 795 . 16 1 1 A 70 70 ASN CA C 70 53.555 54.036 -0.481 1 1 796 . 16 1 1 A 70 70 ASN CB C 70 36.932 36.899 0.033 1 1 797 . 16 1 1 A 70 70 ASN N N 70 119.166 117.881 1.285 1 1 799 . 16 1 1 A 71 71 ILE H H 71 8.449 8.065 0.384 1 1 800 . 16 1 1 A 71 71 ILE HA H 71 4.235 4.131 0.104 1 1 810 . 16 1 1 A 71 71 ILE CA C 71 63.104 62.001 1.103 1 1 811 . 16 1 1 A 71 71 ILE CB C 71 37.200 37.363 -0.163 1 1 815 . 16 1 1 A 71 71 ILE N N 71 121.388 119.542 1.846 1 1 816 . 16 1 1 A 72 72 THR H H 72 9.511 8.851 0.660 1 1 817 . 16 1 1 A 72 72 THR HA H 72 4.967 5.126 -0.159 1 1 822 . 16 1 1 A 72 72 THR CA C 72 59.584 58.467 1.117 1 1 823 . 16 1 1 A 72 72 THR CB C 72 71.930 70.659 1.271 1 1 825 . 16 1 1 A 72 72 THR N N 72 125.726 118.312 7.414 1 1 826 . 16 1 1 A 73 73 PRO HA H 73 4.822 4.565 0.257 1 1 833 . 16 1 1 A 73 73 PRO CA C 73 63.362 62.807 0.555 1 1 834 . 16 1 1 A 73 73 PRO CB C 73 32.451 32.961 -0.510 1 1 837 . 16 1 1 A 74 74 ASP H H 74 8.404 8.848 -0.444 1 1 838 . 16 1 1 A 74 74 ASP HA H 74 4.824 5.095 -0.271 1 1 841 . 16 1 1 A 74 74 ASP CA C 74 52.609 53.147 -0.538 1 1 842 . 16 1 1 A 74 74 ASP CB C 74 43.743 44.013 -0.270 1 1 843 . 16 1 1 A 74 74 ASP N N 74 122.325 121.417 0.908 1 1 844 . 16 1 1 A 75 75 ALA H H 75 8.539 8.787 -0.248 1 1 845 . 16 1 1 A 75 75 ALA HA H 75 4.062 4.048 0.014 1 1 849 . 16 1 1 A 75 75 ALA CA C 75 54.431 55.343 -0.912 1 1 850 . 16 1 1 A 75 75 ALA CB C 75 18.117 18.058 0.059 1 1 851 . 16 1 1 A 75 75 ALA N N 75 123.501 126.224 -2.723 1 1 852 . 16 1 1 A 76 76 ASP H H 76 8.356 8.158 0.198 1 1 853 . 16 1 1 A 76 76 ASP HA H 76 4.815 4.562 0.253 1 1 856 . 16 1 1 A 76 76 ASP CA C 76 53.161 54.931 -1.770 1 1 857 . 16 1 1 A 76 76 ASP CB C 76 41.234 41.700 -0.466 1 1 858 . 16 1 1 A 76 76 ASP N N 76 115.326 116.545 -1.219 1 1 859 . 16 1 1 A 77 77 GLY H H 77 7.569 7.525 0.044 1 1 860 . 16 1 1 A 77 77 GLY HA2 H 77 3.925 4.098 -0.173 1 1 861 . 16 1 1 A 77 77 GLY HA3 H 77 4.508 4.101 0.407 1 1 862 . 16 1 1 A 77 77 GLY CA C 77 46.675 46.135 0.540 1 1 863 . 16 1 1 A 77 77 GLY N N 77 109.452 105.263 4.189 1 1 864 . 16 1 1 A 78 78 THR H H 78 8.272 8.562 -0.290 1 1 865 . 16 1 1 A 78 78 THR HA H 78 4.655 4.998 -0.343 1 1 870 . 16 1 1 A 78 78 THR CA C 78 63.204 61.146 2.058 1 1 871 . 16 1 1 A 78 78 THR CB C 78 72.222 71.805 0.417 1 1 873 . 16 1 1 A 78 78 THR N N 78 122.442 115.820 6.622 1 1 874 . 16 1 1 A 79 79 THR H H 79 9.027 8.856 0.171 1 1 875 . 16 1 1 A 79 79 THR HA H 79 5.164 5.197 -0.033 1 1 880 . 16 1 1 A 79 79 THR CA C 79 60.303 60.542 -0.239 1 1 881 . 16 1 1 A 79 79 THR CB C 79 70.442 70.132 0.310 1 1 883 . 16 1 1 A 79 79 THR N N 79 121.451 118.971 2.480 1 1 884 . 16 1 1 A 80 80 LEU H H 80 8.698 9.024 -0.326 1 1 885 . 16 1 1 A 80 80 LEU HA H 80 4.835 5.186 -0.351 1 1 895 . 16 1 1 A 80 80 LEU CA C 80 54.194 53.288 0.906 1 1 896 . 16 1 1 A 80 80 LEU CB C 80 44.576 45.978 -1.402 1 1 900 . 16 1 1 A 80 80 LEU N N 80 119.374 123.707 -4.333 1 1 901 . 16 1 1 A 81 81 THR H H 81 8.675 8.768 -0.093 1 1 902 . 16 1 1 A 81 81 THR HA H 81 4.740 4.847 -0.107 1 1 907 . 16 1 1 A 81 81 THR CA C 81 61.838 62.048 -0.210 1 1 908 . 16 1 1 A 81 81 THR CB C 81 70.190 69.883 0.307 1 1 910 . 16 1 1 A 81 81 THR N N 81 116.982 115.540 1.442 1 1 911 . 16 1 1 A 82 82 LEU H H 82 8.898 9.204 -0.306 1 1 912 . 16 1 1 A 82 82 LEU HA H 82 4.748 5.035 -0.287 1 1 922 . 16 1 1 A 82 82 LEU CA C 82 53.076 53.822 -0.746 1 1 923 . 16 1 1 A 82 82 LEU CB C 82 43.189 44.172 -0.983 1 1 927 . 16 1 1 A 82 82 LEU N N 82 130.905 130.207 0.698 1 1 928 . 16 1 1 A 83 83 ARG H H 83 9.162 8.716 0.446 1 1 929 . 16 1 1 A 83 83 ARG HA H 83 5.174 4.709 0.465 1 1 936 . 16 1 1 A 83 83 ARG CA C 83 54.441 55.901 -1.460 1 1 937 . 16 1 1 A 83 83 ARG CB C 83 31.332 31.275 0.057 1 1 940 . 16 1 1 A 83 83 ARG N N 83 131.064 126.548 4.516 1 1 941 . 16 1 1 A 84 84 ILE H H 84 9.474 9.538 -0.064 1 1 942 . 16 1 1 A 84 84 ILE HA H 84 4.611 4.628 -0.017 1 1 952 . 16 1 1 A 84 84 ILE CA C 84 60.486 60.567 -0.081 1 1 953 . 16 1 1 A 84 84 ILE CB C 84 40.120 37.945 2.175 1 1 957 . 16 1 1 A 84 84 ILE N N 84 128.394 124.595 3.799 1 1 958 . 16 1 1 A 85 85 GLN H H 85 9.137 9.024 0.113 1 1 959 . 16 1 1 A 85 85 GLN HA H 85 5.457 4.657 0.800 1 1 966 . 16 1 1 A 85 85 GLN CA C 85 53.109 54.939 -1.830 1 1 967 . 16 1 1 A 85 85 GLN CB C 85 32.450 29.518 2.932 1 1 969 . 16 1 1 A 85 85 GLN N N 85 124.857 128.592 -3.735 1 1 971 . 16 1 1 A 86 86 GLY H H 86 9.090 8.406 0.684 1 1 972 . 16 1 1 A 86 86 GLY HA2 H 86 3.813 3.987 -0.174 1 1 973 . 16 1 1 A 86 86 GLY HA3 H 86 4.499 4.001 0.498 1 1 974 . 16 1 1 A 86 86 GLY CA C 86 44.877 45.655 -0.778 1 1 975 . 16 1 1 A 86 86 GLY N N 86 110.702 113.968 -3.266 1 1 976 . 16 1 1 A 87 87 GLU H H 87 8.128 8.979 -0.851 1 1 977 . 16 1 1 A 87 87 GLU HA H 87 4.472 4.154 0.318 1 1 982 . 16 1 1 A 87 87 GLU CA C 87 56.057 58.572 -2.515 1 1 983 . 16 1 1 A 87 87 GLU CB C 87 29.943 29.814 0.129 1 1 985 . 16 1 1 A 87 87 GLU N N 87 120.445 124.770 -4.325 1 1 986 . 16 1 1 A 88 88 SER H H 88 8.063 7.136 0.927 1 1 987 . 16 1 1 A 88 88 SER HA H 88 4.469 4.593 -0.124 1 1 990 . 16 1 1 A 88 88 SER CA C 88 57.472 59.768 -2.296 1 1 991 . 16 1 1 A 88 88 SER CB C 88 63.799 63.481 0.318 1 1 992 . 16 1 1 A 88 88 SER N N 88 113.821 114.893 -1.072 1 1 993 . 16 1 1 A 89 89 ASN H H 89 8.502 9.160 -0.658 1 1 994 . 16 1 1 A 89 89 ASN HA H 89 4.533 4.480 0.053 1 1 999 . 16 1 1 A 89 89 ASN CA C 89 53.715 55.866 -2.151 1 1 1000 . 16 1 1 A 89 89 ASN CB C 89 38.212 38.336 -0.124 1 1 1001 . 16 1 1 A 89 89 ASN N N 89 119.482 123.671 -4.189 1 1 1003 . 16 1 1 A 90 90 ASP H H 90 8.104 7.755 0.349 1 1 1004 . 16 1 1 A 90 90 ASP HA H 90 5.061 4.694 0.367 1 1 1007 . 16 1 1 A 90 90 ASP CA C 90 51.392 52.875 -1.483 1 1 1008 . 16 1 1 A 90 90 ASP CB C 90 41.223 40.710 0.513 1 1 1009 . 16 1 1 A 90 90 ASP N N 90 119.891 120.272 -0.381 1 1 1010 . 16 1 1 A 91 91 PRO HA H 91 4.156 4.482 -0.326 1 1 1017 . 16 1 1 A 91 91 PRO CA C 91 62.200 63.129 -0.929 1 1 1018 . 16 1 1 A 91 91 PRO CB C 91 30.844 31.881 -1.037 1 1 1021 . 16 1 1 A 92 92 LEU H H 92 8.206 8.470 -0.264 1 1 1022 . 16 1 1 A 92 92 LEU HA H 92 4.504 4.664 -0.160 1 1 1032 . 16 1 1 A 92 92 LEU CA C 92 52.697 52.871 -0.174 1 1 1033 . 16 1 1 A 92 92 LEU CB C 92 41.249 41.266 -0.017 1 1 1037 . 16 1 1 A 92 92 LEU N N 92 123.954 123.489 0.465 1 1 1038 . 16 1 1 A 93 93 PRO HA H 93 4.808 4.649 0.159 1 1 1045 . 16 1 1 A 93 93 PRO CA C 93 61.122 62.319 -1.197 1 1 1046 . 16 1 1 A 93 93 PRO CB C 93 32.289 32.616 -0.327 1 1 1049 . 16 1 1 A 94 94 ALA H H 94 8.420 8.406 0.014 1 1 1050 . 16 1 1 A 94 94 ALA HA H 94 4.164 4.318 -0.154 1 1 1054 . 16 1 1 A 94 94 ALA CA C 94 52.655 53.257 -0.602 1 1 1055 . 16 1 1 A 94 94 ALA CB C 94 18.563 19.078 -0.515 1 1 1056 . 16 1 1 A 94 94 ALA N N 94 120.368 123.466 -3.098 1 1 1057 . 16 1 1 A 95 95 PHE H H 95 7.961 7.932 0.029 1 1 1058 . 16 1 1 A 95 95 PHE HA H 95 5.489 5.703 -0.214 1 1 1066 . 16 1 1 A 95 95 PHE CA C 95 56.213 55.419 0.794 1 1 1067 . 16 1 1 A 95 95 PHE CB C 95 41.552 42.497 -0.945 1 1 1071 . 16 1 1 A 95 95 PHE N N 95 115.209 117.461 -2.252 1 1 1072 . 16 1 1 A 96 96 SER H H 96 9.231 9.068 0.163 1 1 1073 . 16 1 1 A 96 96 SER HA H 96 5.427 5.330 0.097 1 1 1076 . 16 1 1 A 96 96 SER CA C 96 55.549 56.682 -1.133 1 1 1077 . 16 1 1 A 96 96 SER CB C 96 66.681 66.544 0.137 1 1 1078 . 16 1 1 A 96 96 SER N N 96 114.106 114.145 -0.039 1 1 1079 . 16 1 1 A 97 97 GLY H H 97 8.269 8.201 0.068 1 1 1080 . 16 1 1 A 97 97 GLY HA2 H 97 4.612 4.235 0.377 1 1 1081 . 16 1 1 A 97 97 GLY HA3 H 97 3.571 4.272 -0.701 1 1 1082 . 16 1 1 A 97 97 GLY CA C 97 45.139 45.472 -0.333 1 1 1083 . 16 1 1 A 97 97 GLY N N 97 104.730 107.089 -2.359 1 1 1084 . 16 1 1 A 98 98 THR H H 98 8.068 8.446 -0.378 1 1 1085 . 16 1 1 A 98 98 THR HA H 98 4.836 4.875 -0.039 1 1 1090 . 16 1 1 A 98 98 THR CA C 98 62.462 62.027 0.435 1 1 1091 . 16 1 1 A 98 98 THR CB C 98 70.240 70.004 0.236 1 1 1093 . 16 1 1 A 98 98 THR N N 98 115.596 115.620 -0.024 1 1 1094 . 16 1 1 A 99 99 VAL H H 99 9.016 9.464 -0.448 1 1 1095 . 16 1 1 A 99 99 VAL HA H 99 5.040 5.293 -0.253 1 1 1103 . 16 1 1 A 99 99 VAL CA C 99 59.695 60.584 -0.889 1 1 1104 . 16 1 1 A 99 99 VAL CB C 99 33.810 33.932 -0.122 1 1 1107 . 16 1 1 A 99 99 VAL N N 99 124.571 122.757 1.814 1 1 1108 . 16 1 1 A 100 100 GLU H H 100 9.595 9.373 0.222 1 1 1109 . 16 1 1 A 100 100 GLU HA H 100 5.463 4.834 0.629 1 1 1114 . 16 1 1 A 100 100 GLU CA C 100 53.132 55.850 -2.718 1 1 1115 . 16 1 1 A 100 100 GLU CB C 100 31.806 30.204 1.602 1 1 1117 . 16 1 1 A 100 100 GLU N N 100 125.607 127.021 -1.414 1 1 1118 . 16 1 1 A 101 101 TYR H H 101 8.576 8.770 -0.194 1 1 1119 . 16 1 1 A 101 101 TYR HA H 101 4.568 5.782 -1.214 1 1 1126 . 16 1 1 A 101 101 TYR CA C 101 54.809 54.833 -0.024 1 1 1127 . 16 1 1 A 101 101 TYR CB C 101 39.516 41.805 -2.289 1 1 1130 . 16 1 1 A 101 101 TYR N N 101 117.224 123.278 -6.054 1 1 1131 . 16 1 1 A 102 102 GLY H H 102 6.489 7.332 -0.843 1 1 1132 . 16 1 1 A 102 102 GLY HA2 H 102 3.948 4.045 -0.097 1 1 1133 . 16 1 1 A 102 102 GLY HA3 H 102 4.190 4.129 0.061 1 1 1134 . 16 1 1 A 102 102 GLY CA C 102 46.509 45.830 0.679 1 1 1135 . 16 1 1 A 102 102 GLY N N 102 103.890 106.157 -2.267 1 1 1136 . 16 1 1 A 103 103 GLN H H 103 8.789 8.806 -0.017 1 1 1137 . 16 1 1 A 103 103 GLN HA H 103 4.893 5.217 -0.324 1 1 1144 . 16 1 1 A 103 103 GLN CA C 103 54.742 54.058 0.684 1 1 1145 . 16 1 1 A 103 103 GLN CB C 103 31.972 33.111 -1.139 1 1 1147 . 16 1 1 A 103 103 GLN N N 103 121.055 120.396 0.659 1 1 1149 . 16 1 1 A 104 104 ILE H H 104 8.877 9.214 -0.337 1 1 1150 . 16 1 1 A 104 104 ILE HA H 104 5.033 4.553 0.480 1 1 1160 . 16 1 1 A 104 104 ILE CA C 104 59.495 60.782 -1.287 1 1 1161 . 16 1 1 A 104 104 ILE CB C 104 40.485 39.065 1.420 1 1 1165 . 16 1 1 A 104 104 ILE N N 104 119.483 123.666 -4.183 1 1 1166 . 16 1 1 A 105 105 GLN H H 105 8.807 8.619 0.188 1 1 1167 . 16 1 1 A 105 105 GLN HA H 105 4.785 4.577 0.208 1 1 1174 . 16 1 1 A 105 105 GLN CA C 105 53.586 55.720 -2.134 1 1 1175 . 16 1 1 A 105 105 GLN CB C 105 32.029 28.712 3.317 1 1 1177 . 16 1 1 A 105 105 GLN N N 105 126.014 123.431 2.583 1 1 1179 . 16 1 1 A 106 106 GLY H H 106 8.680 8.017 0.663 1 1 1180 . 16 1 1 A 106 106 GLY HA2 H 106 4.878 4.094 0.784 1 1 1181 . 16 1 1 A 106 106 GLY HA3 H 106 3.898 4.155 -0.257 1 1 1182 . 16 1 1 A 106 106 GLY CA C 106 43.994 45.421 -1.427 1 1 1183 . 16 1 1 A 106 106 GLY N N 106 111.899 109.118 2.781 1 1 1184 . 16 1 1 A 107 107 THR H H 107 7.984 8.634 -0.650 1 1 1185 . 16 1 1 A 107 107 THR HA H 107 4.571 4.599 -0.028 1 1 1190 . 16 1 1 A 107 107 THR CA C 107 59.611 61.105 -1.494 1 1 1191 . 16 1 1 A 107 107 THR CB C 107 71.146 70.111 1.035 1 1 1193 . 16 1 1 A 107 107 THR N N 107 111.498 110.986 0.512 1 1 1194 . 16 1 1 A 108 108 ILE H H 108 8.345 8.623 -0.278 1 1 1195 . 16 1 1 A 108 108 ILE HA H 108 3.775 3.636 0.139 1 1 1205 . 16 1 1 A 108 108 ILE CA C 108 62.916 63.302 -0.386 1 1 1206 . 16 1 1 A 108 108 ILE CB C 108 37.737 37.531 0.206 1 1 1210 . 16 1 1 A 108 108 ILE N N 108 117.576 121.068 -3.492 1 1 1211 . 16 1 1 A 109 109 ASP H H 109 7.753 7.662 0.091 1 1 1212 . 16 1 1 A 109 109 ASP HA H 109 4.564 4.668 -0.104 1 1 1215 . 16 1 1 A 109 109 ASP CA C 109 54.540 55.964 -1.424 1 1 1216 . 16 1 1 A 109 109 ASP CB C 109 41.360 42.208 -0.848 1 1 1217 . 16 1 1 A 109 109 ASP N N 109 116.045 119.754 -3.709 1 1 1218 . 16 1 1 A 110 110 ASN H H 110 7.719 8.072 -0.353 1 1 1219 . 16 1 1 A 110 110 ASN HA H 110 4.723 5.217 -0.494 1 1 1224 . 16 1 1 A 110 110 ASN CA C 110 53.036 52.358 0.678 1 1 1225 . 16 1 1 A 110 110 ASN CB C 110 38.443 40.450 -2.007 1 1 1226 . 16 1 1 A 110 110 ASN N N 110 119.075 114.768 4.307 1 1 1228 . 16 1 1 A 111 111 PHE H H 111 7.977 8.611 -0.634 1 1 1229 . 16 1 1 A 111 111 PHE HA H 111 5.249 5.160 0.089 1 1 1237 . 16 1 1 A 111 111 PHE CA C 111 56.627 56.141 0.486 1 1 1238 . 16 1 1 A 111 111 PHE CB C 111 40.215 41.726 -1.511 1 1 1242 . 16 1 1 A 111 111 PHE N N 111 122.138 118.381 3.757 1 1 1243 . 16 1 1 A 112 112 GLN H H 112 8.715 8.730 -0.015 1 1 1244 . 16 1 1 A 112 112 GLN HA H 112 4.540 4.953 -0.413 1 1 1251 . 16 1 1 A 112 112 GLN CA C 112 54.035 54.107 -0.072 1 1 1252 . 16 1 1 A 112 112 GLN CB C 112 31.861 32.016 -0.155 1 1 1254 . 16 1 1 A 112 112 GLN N N 112 119.575 118.631 0.944 1 1 1256 . 16 1 1 A 113 113 GLU H H 113 8.546 8.709 -0.163 1 1 1257 . 16 1 1 A 113 113 GLU HA H 113 4.780 4.855 -0.075 1 1 1262 . 16 1 1 A 113 113 GLU CA C 113 55.412 56.251 -0.839 1 1 1263 . 16 1 1 A 113 113 GLU CB C 113 29.886 30.440 -0.554 1 1 1265 . 16 1 1 A 113 113 GLU N N 113 122.846 122.070 0.776 1 1 1266 . 16 1 1 A 114 114 ILE H H 114 8.913 8.589 0.324 1 1 1267 . 16 1 1 A 114 114 ILE HA H 114 4.662 4.639 0.023 1 1 1277 . 16 1 1 A 114 114 ILE CA C 114 59.144 59.571 -0.427 1 1 1278 . 16 1 1 A 114 114 ILE CB C 114 41.873 40.509 1.364 1 1 1282 . 16 1 1 A 114 114 ILE N N 114 120.222 120.572 -0.350 1 1 1283 . 16 1 1 A 115 115 ASN H H 115 8.916 8.763 0.153 1 1 1284 . 16 1 1 A 115 115 ASN HA H 115 4.340 4.217 0.123 1 1 1289 . 16 1 1 A 115 115 ASN CA C 115 53.444 54.161 -0.717 1 1 1290 . 16 1 1 A 115 115 ASN CB C 115 36.467 37.074 -0.607 1 1 1291 . 16 1 1 A 115 115 ASN N N 115 120.916 118.817 2.099 1 1 1293 . 16 1 1 A 116 116 VAL H H 116 8.044 7.860 0.184 1 1 1294 . 16 1 1 A 116 116 VAL HA H 116 4.389 4.573 -0.184 1 1 1302 . 16 1 1 A 116 116 VAL CA C 116 63.183 60.892 2.291 1 1 1303 . 16 1 1 A 116 116 VAL CB C 116 32.216 33.096 -0.880 1 1 1306 . 16 1 1 A 116 116 VAL N N 116 117.046 118.864 -1.818 1 1 1307 . 16 1 1 A 117 117 GLN H H 117 8.582 8.632 -0.050 1 1 1308 . 16 1 1 A 117 117 GLN HA H 117 4.550 4.930 -0.380 1 1 1315 . 16 1 1 A 117 117 GLN CA C 117 53.827 53.522 0.305 1 1 1316 . 16 1 1 A 117 117 GLN CB C 117 33.119 32.282 0.837 1 1 1318 . 16 1 1 A 117 117 GLN N N 117 127.086 125.756 1.330 1 1 1320 . 16 1 1 A 118 118 ASN H H 118 8.330 8.674 -0.344 1 1 1321 . 16 1 1 A 118 118 ASN HA H 118 5.845 6.238 -0.393 1 1 1326 . 16 1 1 A 118 118 ASN CA C 118 51.736 51.555 0.181 1 1 1327 . 16 1 1 A 118 118 ASN CB C 118 42.644 41.685 0.959 1 1 1328 . 16 1 1 A 118 118 ASN N N 118 113.251 117.854 -4.603 1 1 1330 . 16 1 1 A 119 119 GLN H H 119 9.187 9.067 0.120 1 1 1331 . 16 1 1 A 119 119 GLN HA H 119 4.693 5.123 -0.430 1 1 1338 . 16 1 1 A 119 119 GLN CA C 119 55.160 54.164 0.996 1 1 1339 . 16 1 1 A 119 119 GLN CB C 119 34.157 32.647 1.510 1 1 1341 . 16 1 1 A 119 119 GLN N N 119 116.799 121.634 -4.835 1 1 1343 . 16 1 1 A 120 120 LEU H H 120 8.544 9.096 -0.552 1 1 1344 . 16 1 1 A 120 120 LEU HA H 120 5.059 5.194 -0.135 1 1 1354 . 16 1 1 A 120 120 LEU CA C 120 54.327 53.444 0.883 1 1 1355 . 16 1 1 A 120 120 LEU CB C 120 42.839 42.893 -0.054 1 1 1359 . 16 1 1 A 120 120 LEU N N 120 123.292 125.695 -2.403 1 1 1360 . 16 1 1 A 121 121 ILE H H 121 8.657 9.018 -0.361 1 1 1361 . 16 1 1 A 121 121 ILE HA H 121 4.778 4.975 -0.197 1 1 1371 . 16 1 1 A 121 121 ILE CA C 121 58.770 59.218 -0.448 1 1 1372 . 16 1 1 A 121 121 ILE CB C 121 41.582 39.475 2.107 1 1 1376 . 16 1 1 A 121 121 ILE N N 121 116.046 122.047 -6.001 1 1 1377 . 16 1 1 A 122 122 ASN H H 122 8.329 8.789 -0.460 1 1 1378 . 16 1 1 A 122 122 ASN HA H 122 5.068 5.484 -0.416 1 1 1383 . 16 1 1 A 122 122 ASN CA C 122 52.654 51.643 1.011 1 1 1384 . 16 1 1 A 122 122 ASN CB C 122 42.112 41.669 0.443 1 1 1385 . 16 1 1 A 122 122 ASN N N 122 118.416 120.939 -2.523 1 1 1387 . 16 1 1 A 123 123 ALA H H 123 8.547 8.658 -0.111 1 1 1388 . 16 1 1 A 123 123 ALA HA H 123 4.597 4.704 -0.107 1 1 1392 . 16 1 1 A 123 123 ALA CA C 123 48.537 49.099 -0.562 1 1 1393 . 16 1 1 A 123 123 ALA CB C 123 19.998 21.121 -1.123 1 1 1394 . 16 1 1 A 123 123 ALA N N 123 124.108 126.121 -2.013 1 1 1395 . 16 1 1 A 124 124 PRO HA H 124 4.537 4.483 0.054 1 1 1402 . 16 1 1 A 124 124 PRO CA C 124 60.979 62.270 -1.291 1 1 1403 . 16 1 1 A 124 124 PRO CB C 124 32.285 32.337 -0.052 1 1 1406 . 16 1 1 A 125 125 ALA H H 125 8.587 8.283 0.304 1 1 1407 . 16 1 1 A 125 125 ALA HA H 125 3.899 4.371 -0.472 1 1 1411 . 16 1 1 A 125 125 ALA CA C 125 52.692 52.566 0.126 1 1 1412 . 16 1 1 A 125 125 ALA CB C 125 18.631 19.337 -0.706 1 1 1413 . 16 1 1 A 125 125 ALA N N 125 121.333 123.857 -2.524 1 1 1414 . 16 1 1 A 126 126 SER H H 126 8.227 9.440 -1.213 1 1 1415 . 16 1 1 A 126 126 SER HA H 126 4.616 4.415 0.201 1 1 1418 . 16 1 1 A 126 126 SER CA C 126 59.168 59.489 -0.321 1 1 1419 . 16 1 1 A 126 126 SER CB C 126 64.636 63.237 1.399 1 1 1420 . 16 1 1 A 126 126 SER N N 126 118.947 118.211 0.736 1 1 1421 . 16 1 1 A 127 127 VAL H H 127 8.595 8.766 -0.171 1 1 1422 . 16 1 1 A 127 127 VAL HA H 127 4.276 4.298 -0.022 1 1 1430 . 16 1 1 A 127 127 VAL CA C 127 62.194 63.118 -0.924 1 1 1431 . 16 1 1 A 127 127 VAL CB C 127 32.852 32.761 0.091 1 1 1434 . 16 1 1 A 127 127 VAL N N 127 117.209 121.596 -4.387 1 1 1435 . 16 1 1 A 128 128 LEU H H 128 7.844 7.529 0.315 1 1 1436 . 16 1 1 A 128 128 LEU HA H 128 4.588 4.820 -0.232 1 1 1446 . 16 1 1 A 128 128 LEU CA C 128 53.639 52.964 0.675 1 1 1447 . 16 1 1 A 128 128 LEU CB C 128 44.574 45.143 -0.569 1 1 1451 . 16 1 1 A 128 128 LEU N N 128 121.103 121.510 -0.407 1 1 1452 . 16 1 1 A 129 129 ALA H H 129 8.377 8.823 -0.446 1 1 1453 . 16 1 1 A 129 129 ALA HA H 129 4.538 4.836 -0.298 1 1 1457 . 16 1 1 A 129 129 ALA CA C 129 53.476 49.534 3.942 1 1 1458 . 16 1 1 A 129 129 ALA CB C 129 20.982 21.716 -0.734 1 1 1459 . 16 1 1 A 129 129 ALA N N 129 123.679 120.874 2.805 1 1 1460 . 16 1 1 A 130 130 PRO HA H 130 4.669 4.818 -0.149 1 1 1467 . 16 1 1 A 130 130 PRO CA C 130 62.314 62.367 -0.053 1 1 1468 . 16 1 1 A 130 130 PRO CB C 130 33.473 33.258 0.215 1 1 1471 . 16 1 1 A 131 131 SER H H 131 9.365 8.285 1.080 1 1 1472 . 16 1 1 A 131 131 SER HA H 131 4.520 4.606 -0.086 1 1 1475 . 16 1 1 A 131 131 SER CA C 131 59.385 57.759 1.626 1 1 1476 . 16 1 1 A 131 131 SER CB C 131 63.866 62.870 0.996 1 1 1477 . 16 1 1 A 131 131 SER N N 131 122.226 112.130 10.096 1 1 1478 . 16 1 1 A 132 132 ASP H H 132 8.608 7.726 0.882 1 1 1479 . 16 1 1 A 132 132 ASP HA H 132 5.260 5.029 0.231 1 1 1482 . 16 1 1 A 132 132 ASP CA C 132 53.345 53.252 0.093 1 1 1483 . 16 1 1 A 132 132 ASP CB C 132 41.791 41.101 0.690 1 1 1484 . 16 1 1 A 132 132 ASP N N 132 124.814 121.239 3.575 1 1 1485 . 16 1 1 A 133 133 VAL H H 133 9.405 9.365 0.040 1 1 1486 . 16 1 1 A 133 133 VAL HA H 133 4.226 4.827 -0.601 1 1 1494 . 16 1 1 A 133 133 VAL CA C 133 61.669 61.309 0.360 1 1 1495 . 16 1 1 A 133 133 VAL CB C 133 34.448 34.371 0.077 1 1 1498 . 16 1 1 A 133 133 VAL N N 133 127.192 125.117 2.075 1 1 1499 . 16 1 1 A 134 134 ASP H H 134 8.468 8.984 -0.516 1 1 1500 . 16 1 1 A 134 134 ASP HA H 134 5.368 5.539 -0.171 1 1 1503 . 16 1 1 A 134 134 ASP CA C 134 52.326 52.983 -0.657 1 1 1504 . 16 1 1 A 134 134 ASP CB C 134 41.245 43.558 -2.313 1 1 1505 . 16 1 1 A 134 134 ASP N N 134 127.161 126.318 0.843 1 1 1506 . 16 1 1 A 135 135 ILE H H 135 9.406 8.740 0.666 1 1 1507 . 16 1 1 A 135 135 ILE HA H 135 4.636 4.917 -0.281 1 1 1517 . 16 1 1 A 135 135 ILE CA C 135 57.478 56.981 0.497 1 1 1518 . 16 1 1 A 135 135 ILE CB C 135 39.411 40.546 -1.135 1 1 1522 . 16 1 1 A 135 135 ILE N N 135 125.603 118.304 7.299 1 1 1523 . 16 1 1 A 136 136 PRO HA H 136 4.844 4.772 0.072 1 1 1530 . 16 1 1 A 136 136 PRO CA C 136 62.314 62.302 0.012 1 1 1531 . 16 1 1 A 136 136 PRO CB C 136 31.563 32.838 -1.275 1 1 1534 . 16 1 1 A 137 137 LEU H H 137 9.196 8.626 0.570 1 1 1535 . 16 1 1 A 137 137 LEU HA H 137 4.739 4.800 -0.061 1 1 1545 . 16 1 1 A 137 137 LEU CA C 137 53.609 54.055 -0.446 1 1 1546 . 16 1 1 A 137 137 LEU CB C 137 45.473 45.917 -0.444 1 1 1550 . 16 1 1 A 137 137 LEU N N 137 124.087 121.671 2.416 1 1 1551 . 16 1 1 A 138 138 GLN H H 138 8.928 9.066 -0.138 1 1 1552 . 16 1 1 A 138 138 GLN HA H 138 4.581 4.847 -0.266 1 1 1559 . 16 1 1 A 138 138 GLN CA C 138 54.780 54.521 0.259 1 1 1560 . 16 1 1 A 138 138 GLN CB C 138 29.048 30.370 -1.322 1 1 1562 . 16 1 1 A 138 138 GLN N N 138 122.528 127.819 -5.291 1 1 1564 . 16 1 1 A 139 139 LEU H H 139 9.039 8.735 0.304 1 1 1565 . 16 1 1 A 139 139 LEU HA H 139 4.205 4.417 -0.212 1 1 1575 . 16 1 1 A 139 139 LEU CA C 139 52.367 53.643 -1.276 1 1 1576 . 16 1 1 A 139 139 LEU CB C 139 38.673 42.468 -3.795 1 1 1580 . 16 1 1 A 139 139 LEU N N 139 127.667 128.010 -0.343 1 1 1581 . 16 1 1 A 140 140 LYS H H 140 8.078 8.238 -0.160 1 1 1582 . 16 1 1 A 140 140 LYS HA H 140 4.352 4.665 -0.313 1 1 1591 . 16 1 1 A 140 140 LYS CA C 140 56.826 54.918 1.908 1 1 1592 . 16 1 1 A 140 140 LYS CB C 140 32.657 35.157 -2.500 1 1 1596 . 16 1 1 A 140 140 LYS N N 140 124.108 122.340 1.768 1 1 1597 . 16 1 1 A 141 141 GLY H H 141 9.166 9.090 0.076 1 1 1598 . 16 1 1 A 141 141 GLY HA2 H 141 3.788 3.941 -0.153 1 1 1599 . 16 1 1 A 141 141 GLY HA3 H 141 4.119 3.951 0.168 1 1 1600 . 16 1 1 A 141 141 GLY CA C 141 45.682 45.609 0.073 1 1 1601 . 16 1 1 A 141 141 GLY N N 141 110.698 111.342 -0.644 1 1 1602 . 16 1 1 A 142 142 ILE H H 142 7.112 7.936 -0.824 1 1 1603 . 16 1 1 A 142 142 ILE HA H 142 4.600 4.947 -0.347 1 1 1613 . 16 1 1 A 142 142 ILE CA C 142 58.547 59.314 -0.767 1 1 1614 . 16 1 1 A 142 142 ILE CB C 142 40.437 41.635 -1.198 1 1 1618 . 16 1 1 A 142 142 ILE N N 142 117.928 121.660 -3.732 1 1 1619 . 16 1 1 A 143 143 SER H H 143 8.381 8.987 -0.606 1 1 1620 . 16 1 1 A 143 143 SER HA H 143 4.613 4.898 -0.285 1 1 1623 . 16 1 1 A 143 143 SER CA C 143 56.654 58.032 -1.378 1 1 1624 . 16 1 1 A 143 143 SER CB C 143 65.051 64.898 0.153 1 1 1625 . 16 1 1 A 143 143 SER N N 143 123.373 124.793 -1.420 1 1 1626 . 16 1 1 A 144 144 VAL H H 144 8.702 8.333 0.369 1 1 1627 . 16 1 1 A 144 144 VAL HA H 144 3.593 3.814 -0.221 1 1 1635 . 16 1 1 A 144 144 VAL CA C 144 65.655 65.120 0.535 1 1 1636 . 16 1 1 A 144 144 VAL CB C 144 31.434 31.828 -0.394 1 1 1639 . 16 1 1 A 144 144 VAL N N 144 120.791 126.463 -5.672 1 1 1640 . 16 1 1 A 145 145 ASP H H 145 8.151 8.216 -0.065 1 1 1641 . 16 1 1 A 145 145 ASP HA H 145 4.435 4.438 -0.003 1 1 1644 . 16 1 1 A 145 145 ASP CA C 145 55.211 56.922 -1.711 1 1 1645 . 16 1 1 A 145 145 ASP CB C 145 40.268 41.071 -0.803 1 1 1646 . 16 1 1 A 145 145 ASP N N 145 115.698 120.855 -5.157 1 1 1647 . 16 1 1 A 146 146 GLN H H 146 7.553 7.840 -0.287 1 1 1648 . 16 1 1 A 146 146 GLN HA H 146 4.302 4.442 -0.140 1 1 1655 . 16 1 1 A 146 146 GLN CA C 146 55.072 54.967 0.105 1 1 1656 . 16 1 1 A 146 146 GLN CB C 146 29.990 29.038 0.952 1 1 1658 . 16 1 1 A 146 146 GLN N N 146 117.118 115.487 1.631 1 1 1660 . 16 1 1 A 147 147 LEU H H 147 7.368 7.420 -0.052 1 1 1661 . 16 1 1 A 147 147 LEU HA H 147 4.119 4.388 -0.269 1 1 1671 . 16 1 1 A 147 147 LEU CA C 147 54.904 54.715 0.189 1 1 1672 . 16 1 1 A 147 147 LEU CB C 147 40.355 42.556 -2.201 1 1 1676 . 16 1 1 A 147 147 LEU N N 147 121.541 123.855 -2.314 1 1 1677 . 16 1 1 A 148 148 GLY H H 148 8.791 8.582 0.209 1 1 1678 . 16 1 1 A 148 148 GLY HA2 H 148 4.512 3.949 0.563 1 1 1679 . 16 1 1 A 148 148 GLY HA3 H 148 3.997 4.005 -0.008 1 1 1680 . 16 1 1 A 148 148 GLY CA C 148 45.610 46.866 -1.256 1 1 1681 . 16 1 1 A 148 148 GLY N N 148 116.322 112.998 3.324 1 1 1682 . 16 1 1 A 149 149 PHE H H 149 7.790 7.600 0.190 1 1 1683 . 16 1 1 A 149 149 PHE HA H 149 5.215 5.272 -0.057 1 1 1691 . 16 1 1 A 149 149 PHE CA C 149 56.942 56.327 0.615 1 1 1692 . 16 1 1 A 149 149 PHE CB C 149 42.019 42.364 -0.345 1 1 1696 . 16 1 1 A 149 149 PHE N N 149 113.675 113.158 0.517 1 1 1697 . 16 1 1 A 150 150 VAL H H 150 8.549 8.794 -0.245 1 1 1698 . 16 1 1 A 150 150 VAL HA H 150 4.776 4.691 0.085 1 1 1706 . 16 1 1 A 150 150 VAL CA C 150 61.068 61.307 -0.239 1 1 1707 . 16 1 1 A 150 150 VAL CB C 150 34.594 34.230 0.364 1 1 1710 . 16 1 1 A 150 150 VAL N N 150 118.208 120.467 -2.259 1 1 1711 . 16 1 1 A 151 151 ARG H H 151 9.953 9.522 0.431 1 1 1712 . 16 1 1 A 151 151 ARG HA H 151 5.783 4.887 0.896 1 1 1719 . 16 1 1 A 151 151 ARG CA C 151 53.530 55.250 -1.720 1 1 1720 . 16 1 1 A 151 151 ARG CB C 151 33.540 31.337 2.203 1 1 1723 . 16 1 1 A 151 151 ARG N N 151 128.446 128.871 -0.425 1 1 1724 . 16 1 1 A 152 152 ILE H H 152 8.905 8.968 -0.063 1 1 1725 . 16 1 1 A 152 152 ILE HA H 152 5.188 4.897 0.291 1 1 1735 . 16 1 1 A 152 152 ILE CA C 152 60.464 60.576 -0.112 1 1 1736 . 16 1 1 A 152 152 ILE CB C 152 39.542 38.516 1.026 1 1 1740 . 16 1 1 A 152 152 ILE N N 152 127.149 128.640 -1.491 1 1 1741 . 16 1 1 A 153 153 HIS H H 153 8.941 8.624 0.317 1 1 1742 . 16 1 1 A 153 153 HIS HA H 153 5.074 4.870 0.204 1 1 1747 . 16 1 1 A 153 153 HIS CA C 153 53.417 54.568 -1.151 1 1 1748 . 16 1 1 A 153 153 HIS CB C 153 31.734 32.228 -0.494 1 1 1751 . 16 1 1 A 153 153 HIS N N 153 119.132 123.639 -4.507 1 1 1752 . 16 1 1 A 154 154 ASP H H 154 9.109 8.813 0.296 1 1 1753 . 16 1 1 A 154 154 ASP HA H 154 4.276 4.079 0.197 1 1 1756 . 16 1 1 A 154 154 ASP CA C 154 55.630 55.436 0.194 1 1 1757 . 16 1 1 A 154 154 ASP CB C 154 39.450 39.075 0.375 1 1 1758 . 16 1 1 A 154 154 ASP N N 154 116.420 116.413 0.007 1 1 1759 . 16 1 1 A 155 155 ILE H H 155 8.062 8.083 -0.021 1 1 1760 . 16 1 1 A 155 155 ILE HA H 155 5.051 4.334 0.717 1 1 1770 . 16 1 1 A 155 155 ILE CA C 155 59.666 61.943 -2.277 1 1 1771 . 16 1 1 A 155 155 ILE CB C 155 35.757 37.122 -1.365 1 1 1775 . 16 1 1 A 155 155 ILE N N 155 119.131 119.902 -0.771 1 1 1776 . 16 1 1 A 156 156 GLN H H 156 9.011 8.917 0.094 1 1 1777 . 16 1 1 A 156 156 GLN HA H 156 4.993 5.013 -0.020 1 1 1784 . 16 1 1 A 156 156 GLN CA C 156 51.975 53.098 -1.123 1 1 1785 . 16 1 1 A 156 156 GLN CB C 156 31.210 31.906 -0.696 1 1 1787 . 16 1 1 A 156 156 GLN N N 156 127.177 124.215 2.962 1 1 1789 . 16 1 1 A 157 157 PRO HA H 157 4.964 4.794 0.170 1 1 1796 . 16 1 1 A 157 157 PRO CA C 157 61.770 62.671 -0.901 1 1 1797 . 16 1 1 A 157 157 PRO CB C 157 31.637 32.405 -0.768 1 1 1800 . 16 1 1 A 158 158 VAL H H 158 7.921 8.213 -0.292 1 1 1801 . 16 1 1 A 158 158 VAL HA H 158 4.107 4.291 -0.184 1 1 1809 . 16 1 1 A 158 158 VAL CA C 158 62.234 61.118 1.116 1 1 1810 . 16 1 1 A 158 158 VAL CB C 158 32.610 33.163 -0.553 1 1 1813 . 16 1 1 A 158 158 VAL N N 158 121.642 118.513 3.129 1 1 1814 . 16 1 1 A 159 159 MET H H 159 8.544 8.712 -0.168 1 1 1815 . 16 1 1 A 159 159 MET HA H 159 4.548 4.080 0.468 1 1 1820 . 16 1 1 A 159 159 MET CA C 159 54.731 56.786 -2.055 1 1 1821 . 16 1 1 A 159 159 MET CB C 159 32.547 31.213 1.334 1 1 1823 . 16 1 1 A 159 159 MET N N 159 124.452 118.641 5.811 1 1 1824 . 16 1 1 A 160 160 GLN H H 160 8.434 7.789 0.645 1 1 1825 . 16 1 1 A 160 160 GLN HA H 160 4.354 4.452 -0.098 1 1 1832 . 16 1 1 A 160 160 GLN CA C 160 55.399 55.712 -0.313 1 1 1833 . 16 1 1 A 160 160 GLN CB C 160 29.112 29.554 -0.442 1 1 1835 . 16 1 1 A 160 160 GLN N N 160 121.917 117.189 4.728 1 1 1837 . 16 1 1 A 161 161 LEU H H 161 8.325 8.298 0.027 1 1 1838 . 16 1 1 A 161 161 LEU HA H 161 4.314 4.819 -0.505 1 1 1848 . 16 1 1 A 161 161 LEU CA C 161 55.040 53.541 1.499 1 1 1849 . 16 1 1 A 161 161 LEU CB C 161 42.225 43.727 -1.502 1 1 1853 . 16 1 1 A 161 161 LEU N N 161 123.826 122.695 1.131 1 1 1854 . 16 1 1 A 162 162 GLU H H 162 8.358 8.621 -0.263 1 1 1855 . 16 1 1 A 162 162 GLU HA H 162 4.216 4.714 -0.498 1 1 1860 . 16 1 1 A 162 162 GLU CA C 162 56.343 56.352 -0.009 1 1 1861 . 16 1 1 A 162 162 GLU CB C 162 30.083 30.419 -0.336 1 1 1863 . 16 1 1 A 162 162 GLU N N 162 121.293 123.169 -1.876 1 1 1864 . 16 1 1 A 163 163 HIS H H 163 8.376 8.986 -0.610 1 1 1865 . 16 1 1 A 163 163 HIS HA H 163 4.641 4.810 -0.169 1 1 1868 . 16 1 1 A 163 163 HIS CA C 163 55.437 54.322 1.115 1 1 1869 . 16 1 1 A 163 163 HIS CB C 163 29.412 28.756 0.656 1 1 1870 . 16 1 1 A 163 163 HIS N N 163 121.307 125.449 -4.142 1 1 1871 . 16 1 1 A 164 164 HIS H H 164 8.289 8.210 0.079 1 1 1872 . 16 1 1 A 164 164 HIS N N 164 125.228 121.003 4.225 1 1 1873 . 16 1 1 A 166 166 HIS HA H 166 4.300 4.964 -0.664 1 1 1876 . 16 1 1 A 166 166 HIS CA C 166 55.708 55.274 0.434 1 1 1877 . 16 1 1 A 166 166 HIS CB C 166 29.207 32.473 -3.266 1 1 1878 . 16 1 1 A 167 167 HIS H H 167 8.591 8.796 -0.205 1 1 1879 . 16 1 1 A 167 167 HIS HA H 167 4.541 3.891 0.650 1 1 1882 . 16 1 1 A 167 167 HIS CA C 167 54.678 56.608 -1.930 1 1 1883 . 16 1 1 A 167 167 HIS CB C 167 26.256 27.902 -1.646 1 1 1884 . 16 1 1 A 167 167 HIS N N 167 121.317 124.896 -3.579 1 1 1 . 17 1 1 A 2 2 VAL HA H 2 3.850 4.576 -0.726 1 1 9 . 17 1 1 A 2 2 VAL CA C 2 61.400 61.527 -0.127 1 1 10 . 17 1 1 A 2 2 VAL CB C 2 32.400 34.435 -2.035 1 1 13 . 17 1 1 A 3 3 GLN HA H 3 4.445 4.779 -0.334 1 1 18 . 17 1 1 A 3 3 GLN CA C 3 55.467 54.207 1.260 1 1 19 . 17 1 1 A 3 3 GLN CB C 3 29.271 29.882 -0.611 1 1 21 . 17 1 1 A 4 4 GLN H H 4 8.703 9.137 -0.434 1 1 22 . 17 1 1 A 4 4 GLN HA H 4 4.356 5.145 -0.789 1 1 27 . 17 1 1 A 4 4 GLN CA C 4 55.961 54.199 1.762 1 1 28 . 17 1 1 A 4 4 GLN CB C 4 29.178 32.863 -3.685 1 1 30 . 17 1 1 A 4 4 GLN N N 4 123.281 118.298 4.983 1 1 31 . 17 1 1 A 5 5 SER H H 5 8.426 8.897 -0.471 1 1 32 . 17 1 1 A 5 5 SER HA H 5 4.424 5.277 -0.853 1 1 35 . 17 1 1 A 5 5 SER CA C 5 58.498 56.453 2.045 1 1 36 . 17 1 1 A 5 5 SER CB C 5 63.534 65.906 -2.372 1 1 37 . 17 1 1 A 5 5 SER N N 5 116.845 115.010 1.835 1 1 38 . 17 1 1 A 6 6 GLU H H 6 8.434 8.567 -0.133 1 1 39 . 17 1 1 A 6 6 GLU HA H 6 4.342 4.746 -0.404 1 1 44 . 17 1 1 A 6 6 GLU CA C 6 56.410 55.593 0.817 1 1 45 . 17 1 1 A 6 6 GLU CB C 6 29.873 31.704 -1.831 1 1 47 . 17 1 1 A 6 6 GLU N N 6 122.965 122.650 0.315 1 1 48 . 17 1 1 A 7 7 VAL H H 7 8.131 8.854 -0.723 1 1 49 . 17 1 1 A 7 7 VAL HA H 7 4.063 4.625 -0.562 1 1 57 . 17 1 1 A 7 7 VAL CA C 7 62.213 60.901 1.312 1 1 58 . 17 1 1 A 7 7 VAL CB C 7 32.391 33.272 -0.881 1 1 61 . 17 1 1 A 7 7 VAL N N 7 121.508 121.037 0.471 1 1 62 . 17 1 1 A 8 8 ARG H H 8 8.376 8.617 -0.241 1 1 63 . 17 1 1 A 8 8 ARG HA H 8 4.335 4.674 -0.339 1 1 70 . 17 1 1 A 8 8 ARG CA C 8 56.013 54.811 1.202 1 1 71 . 17 1 1 A 8 8 ARG CB C 8 30.528 32.017 -1.489 1 1 74 . 17 1 1 A 8 8 ARG N N 8 124.504 129.298 -4.794 1 1 75 . 17 1 1 A 9 9 GLN H H 9 8.360 8.424 -0.064 1 1 76 . 17 1 1 A 9 9 GLN HA H 9 4.353 4.436 -0.083 1 1 81 . 17 1 1 A 9 9 GLN CA C 9 55.446 55.620 -0.174 1 1 82 . 17 1 1 A 9 9 GLN CB C 9 29.236 27.840 1.396 1 1 84 . 17 1 1 A 9 9 GLN N N 9 121.537 120.093 1.444 1 1 85 . 17 1 1 A 10 10 MET H H 10 8.391 8.673 -0.282 1 1 86 . 17 1 1 A 10 10 MET HA H 10 4.459 5.127 -0.668 1 1 91 . 17 1 1 A 10 10 MET CA C 10 55.062 53.958 1.104 1 1 92 . 17 1 1 A 10 10 MET CB C 10 32.482 34.147 -1.665 1 1 94 . 17 1 1 A 10 10 MET N N 10 122.199 125.030 -2.831 1 1 95 . 17 1 1 A 11 11 LYS H H 11 8.317 8.375 -0.058 1 1 96 . 17 1 1 A 11 11 LYS HA H 11 4.296 4.413 -0.117 1 1 105 . 17 1 1 A 11 11 LYS CA C 11 56.114 55.928 0.186 1 1 106 . 17 1 1 A 11 11 LYS CB C 11 32.372 32.298 0.074 1 1 110 . 17 1 1 A 11 11 LYS N N 11 122.440 123.733 -1.293 1 1 111 . 17 1 1 A 12 12 HIS H H 12 8.489 8.745 -0.256 1 1 112 . 17 1 1 A 12 12 HIS HA H 12 4.748 4.872 -0.124 1 1 116 . 17 1 1 A 12 12 HIS CA C 12 55.052 54.684 0.368 1 1 117 . 17 1 1 A 12 12 HIS CB C 12 29.094 28.346 0.748 1 1 119 . 17 1 1 A 12 12 HIS N N 12 119.934 124.507 -4.573 1 1 120 . 17 1 1 A 13 13 SER H H 13 8.401 8.578 -0.177 1 1 121 . 17 1 1 A 13 13 SER HA H 13 4.518 4.016 0.502 1 1 124 . 17 1 1 A 13 13 SER CA C 13 57.855 59.101 -1.246 1 1 125 . 17 1 1 A 13 13 SER CB C 13 63.750 61.649 2.101 1 1 126 . 17 1 1 A 13 13 SER N N 13 117.596 117.203 0.393 1 1 127 . 17 1 1 A 14 14 VAL H H 14 8.285 7.919 0.366 1 1 128 . 17 1 1 A 14 14 VAL HA H 14 4.239 4.463 -0.224 1 1 136 . 17 1 1 A 14 14 VAL CA C 14 62.078 61.961 0.117 1 1 137 . 17 1 1 A 14 14 VAL CB C 14 32.564 32.315 0.249 1 1 140 . 17 1 1 A 14 14 VAL N N 14 121.378 121.419 -0.041 1 1 141 . 17 1 1 A 15 15 SER H H 15 8.419 8.950 -0.531 1 1 142 . 17 1 1 A 15 15 SER HA H 15 4.556 5.216 -0.660 1 1 145 . 17 1 1 A 15 15 SER CA C 15 57.855 57.765 0.090 1 1 146 . 17 1 1 A 15 15 SER CB C 15 63.600 65.307 -1.707 1 1 147 . 17 1 1 A 15 15 SER N N 15 119.022 124.666 -5.644 1 1 148 . 17 1 1 A 16 16 THR H H 16 8.189 8.996 -0.807 1 1 149 . 17 1 1 A 16 16 THR HA H 16 4.362 4.805 -0.443 1 1 154 . 17 1 1 A 16 16 THR CA C 16 61.510 59.766 1.744 1 1 155 . 17 1 1 A 16 16 THR CB C 16 69.292 71.120 -1.828 1 1 157 . 17 1 1 A 16 16 THR N N 16 116.040 118.788 -2.748 1 1 158 . 17 1 1 A 17 17 LEU H H 17 8.168 8.547 -0.379 1 1 159 . 17 1 1 A 17 17 LEU HA H 17 4.331 4.783 -0.452 1 1 169 . 17 1 1 A 17 17 LEU CA C 17 55.446 53.645 1.801 1 1 170 . 17 1 1 A 17 17 LEU CB C 17 42.032 42.640 -0.608 1 1 174 . 17 1 1 A 17 17 LEU N N 17 123.796 123.594 0.202 1 1 175 . 17 1 1 A 18 18 ASN H H 18 8.406 8.481 -0.075 1 1 176 . 17 1 1 A 18 18 ASN HA H 18 4.685 4.877 -0.192 1 1 181 . 17 1 1 A 18 18 ASN CA C 18 53.276 52.797 0.479 1 1 182 . 17 1 1 A 18 18 ASN CB C 18 38.462 36.965 1.497 1 1 183 . 17 1 1 A 18 18 ASN N N 18 119.197 118.482 0.715 1 1 185 . 17 1 1 A 19 19 GLN H H 19 8.346 8.099 0.247 1 1 186 . 17 1 1 A 19 19 GLN HA H 19 4.319 4.724 -0.405 1 1 193 . 17 1 1 A 19 19 GLN CA C 19 56.075 54.556 1.519 1 1 194 . 17 1 1 A 19 19 GLN CB C 19 29.077 31.584 -2.507 1 1 196 . 17 1 1 A 19 19 GLN N N 19 120.620 124.119 -3.499 1 1 198 . 17 1 1 A 20 20 GLU H H 20 8.474 8.255 0.219 1 1 199 . 17 1 1 A 20 20 GLU HA H 20 4.269 4.249 0.020 1 1 204 . 17 1 1 A 20 20 GLU CA C 20 56.932 56.692 0.240 1 1 205 . 17 1 1 A 20 20 GLU CB C 20 29.694 30.337 -0.643 1 1 207 . 17 1 1 A 20 20 GLU N N 20 121.410 121.653 -0.243 1 1 208 . 17 1 1 A 21 21 MET H H 21 8.366 8.663 -0.297 1 1 209 . 17 1 1 A 21 21 MET HA H 21 4.538 4.352 0.186 1 1 214 . 17 1 1 A 21 21 MET CA C 21 55.812 55.435 0.377 1 1 215 . 17 1 1 A 21 21 MET CB C 21 32.188 32.487 -0.299 1 1 217 . 17 1 1 A 21 21 MET N N 21 120.618 123.094 -2.476 1 1 218 . 17 1 1 A 22 22 THR H H 22 8.127 8.408 -0.281 1 1 219 . 17 1 1 A 22 22 THR HA H 22 4.299 4.556 -0.257 1 1 224 . 17 1 1 A 22 22 THR CA C 22 62.287 61.307 0.980 1 1 225 . 17 1 1 A 22 22 THR CB C 22 69.174 71.192 -2.018 1 1 227 . 17 1 1 A 22 22 THR N N 22 114.858 115.445 -0.587 1 1 228 . 17 1 1 A 23 23 GLN H H 23 8.342 8.607 -0.265 1 1 229 . 17 1 1 A 23 23 GLN HA H 23 4.339 4.326 0.013 1 1 236 . 17 1 1 A 23 23 GLN CA C 23 56.148 56.190 -0.042 1 1 237 . 17 1 1 A 23 23 GLN CB C 23 29.112 29.552 -0.440 1 1 239 . 17 1 1 A 23 23 GLN N N 23 122.047 119.874 2.173 1 1 241 . 17 1 1 A 24 24 LEU H H 24 8.174 8.255 -0.081 1 1 242 . 17 1 1 A 24 24 LEU HA H 24 4.334 4.560 -0.226 1 1 252 . 17 1 1 A 24 24 LEU CA C 24 55.519 54.760 0.759 1 1 253 . 17 1 1 A 24 24 LEU CB C 24 42.146 43.383 -1.237 1 1 257 . 17 1 1 A 24 24 LEU N N 24 122.328 123.173 -0.845 1 1 258 . 17 1 1 A 25 25 ASN H H 25 8.384 8.599 -0.215 1 1 259 . 17 1 1 A 25 25 ASN HA H 25 4.692 4.586 0.106 1 1 264 . 17 1 1 A 25 25 ASN CA C 25 53.481 53.799 -0.318 1 1 265 . 17 1 1 A 25 25 ASN CB C 25 38.445 40.467 -2.022 1 1 266 . 17 1 1 A 25 25 ASN N N 25 119.262 123.138 -3.876 1 1 268 . 17 1 1 A 26 26 GLN H H 26 8.453 8.696 -0.243 1 1 269 . 17 1 1 A 26 26 GLN HA H 26 4.215 3.946 0.269 1 1 276 . 17 1 1 A 26 26 GLN CA C 26 57.037 59.348 -2.311 1 1 277 . 17 1 1 A 26 26 GLN CB C 26 28.996 28.161 0.835 1 1 279 . 17 1 1 A 26 26 GLN N N 26 120.394 124.860 -4.466 1 1 281 . 17 1 1 A 27 27 GLU H H 27 8.501 8.407 0.094 1 1 282 . 17 1 1 A 27 27 GLU HA H 27 4.202 4.077 0.125 1 1 287 . 17 1 1 A 27 27 GLU CA C 27 58.573 59.398 -0.825 1 1 288 . 17 1 1 A 27 27 GLU CB C 27 29.349 29.707 -0.358 1 1 290 . 17 1 1 A 27 27 GLU N N 27 121.130 119.554 1.576 1 1 291 . 17 1 1 A 28 28 THR H H 28 8.032 8.042 -0.010 1 1 292 . 17 1 1 A 28 28 THR HA H 28 4.079 4.053 0.026 1 1 297 . 17 1 1 A 28 28 THR CA C 28 64.762 66.564 -1.802 1 1 298 . 17 1 1 A 28 28 THR CB C 28 68.354 67.993 0.361 1 1 300 . 17 1 1 A 28 28 THR N N 28 114.032 117.131 -3.099 1 1 301 . 17 1 1 A 29 29 VAL H H 29 7.969 8.226 -0.257 1 1 302 . 17 1 1 A 29 29 VAL HA H 29 3.812 3.604 0.208 1 1 310 . 17 1 1 A 29 29 VAL CA C 29 65.572 66.804 -1.232 1 1 311 . 17 1 1 A 29 29 VAL CB C 29 31.624 31.333 0.291 1 1 314 . 17 1 1 A 29 29 VAL N N 29 122.215 121.594 0.621 1 1 315 . 17 1 1 A 30 30 LYS H H 30 7.910 7.953 -0.043 1 1 316 . 17 1 1 A 30 30 LYS HA H 30 4.175 4.042 0.133 1 1 325 . 17 1 1 A 30 30 LYS CA C 30 57.780 59.351 -1.571 1 1 326 . 17 1 1 A 30 30 LYS CB C 30 31.537 31.953 -0.416 1 1 330 . 17 1 1 A 30 30 LYS N N 30 119.387 118.727 0.660 1 1 331 . 17 1 1 A 31 31 ILE H H 31 8.277 7.797 0.480 1 1 332 . 17 1 1 A 31 31 ILE HA H 31 3.602 3.625 -0.023 1 1 342 . 17 1 1 A 31 31 ILE CA C 31 65.712 65.304 0.408 1 1 343 . 17 1 1 A 31 31 ILE CB C 31 38.559 37.741 0.818 1 1 347 . 17 1 1 A 31 31 ILE N N 31 121.053 121.022 0.031 1 1 348 . 17 1 1 A 32 32 THR H H 32 7.896 8.064 -0.168 1 1 349 . 17 1 1 A 32 32 THR HA H 32 4.004 3.809 0.195 1 1 354 . 17 1 1 A 32 32 THR CA C 32 65.922 66.899 -0.977 1 1 355 . 17 1 1 A 32 32 THR CB C 32 68.400 68.398 0.002 1 1 357 . 17 1 1 A 32 32 THR N N 32 115.554 116.588 -1.034 1 1 358 . 17 1 1 A 33 33 GLN H H 33 8.279 8.251 0.028 1 1 359 . 17 1 1 A 33 33 GLN HA H 33 3.887 3.920 -0.033 1 1 366 . 17 1 1 A 33 33 GLN CA C 33 59.052 59.156 -0.104 1 1 367 . 17 1 1 A 33 33 GLN CB C 33 27.889 28.156 -0.267 1 1 369 . 17 1 1 A 33 33 GLN N N 33 120.920 121.660 -0.740 1 1 371 . 17 1 1 A 34 34 GLN H H 34 8.671 8.200 0.471 1 1 372 . 17 1 1 A 34 34 GLN HA H 34 3.615 4.053 -0.438 1 1 379 . 17 1 1 A 34 34 GLN CA C 34 60.424 58.890 1.534 1 1 380 . 17 1 1 A 34 34 GLN CB C 34 30.058 28.645 1.413 1 1 382 . 17 1 1 A 34 34 GLN N N 34 120.388 119.038 1.350 1 1 384 . 17 1 1 A 35 35 ASN H H 35 8.636 8.415 0.221 1 1 385 . 17 1 1 A 35 35 ASN HA H 35 4.595 4.542 0.053 1 1 390 . 17 1 1 A 35 35 ASN CA C 35 55.363 55.630 -0.267 1 1 391 . 17 1 1 A 35 35 ASN CB C 35 36.904 37.864 -0.960 1 1 392 . 17 1 1 A 35 35 ASN N N 35 116.477 118.227 -1.750 1 1 394 . 17 1 1 A 36 36 ARG H H 36 8.321 7.971 0.350 1 1 395 . 17 1 1 A 36 36 ARG HA H 36 4.142 4.061 0.081 1 1 402 . 17 1 1 A 36 36 ARG CA C 36 58.582 59.076 -0.494 1 1 403 . 17 1 1 A 36 36 ARG CB C 36 29.712 29.983 -0.271 1 1 406 . 17 1 1 A 36 36 ARG N N 36 121.347 119.824 1.523 1 1 407 . 17 1 1 A 37 37 LEU H H 37 8.251 8.000 0.251 1 1 408 . 17 1 1 A 37 37 LEU HA H 37 3.788 3.765 0.023 1 1 418 . 17 1 1 A 37 37 LEU CA C 37 57.094 57.956 -0.862 1 1 419 . 17 1 1 A 37 37 LEU CB C 37 40.554 40.846 -0.292 1 1 423 . 17 1 1 A 37 37 LEU N N 37 120.862 119.836 1.026 1 1 424 . 17 1 1 A 38 38 ASN H H 38 8.047 8.518 -0.471 1 1 425 . 17 1 1 A 38 38 ASN HA H 38 5.134 4.486 0.648 1 1 430 . 17 1 1 A 38 38 ASN CA C 38 54.413 57.114 -2.701 1 1 431 . 17 1 1 A 38 38 ASN CB C 38 38.069 39.787 -1.718 1 1 432 . 17 1 1 A 38 38 ASN N N 38 115.574 117.723 -2.149 1 1 434 . 17 1 1 A 39 39 ALA H H 39 7.878 7.853 0.025 1 1 435 . 17 1 1 A 39 39 ALA HA H 39 4.342 4.118 0.224 1 1 439 . 17 1 1 A 39 39 ALA CA C 39 53.981 54.806 -0.825 1 1 440 . 17 1 1 A 39 39 ALA CB C 39 18.340 18.322 0.018 1 1 441 . 17 1 1 A 39 39 ALA N N 39 123.076 121.041 2.035 1 1 442 . 17 1 1 A 40 40 LYS H H 40 7.431 7.842 -0.411 1 1 443 . 17 1 1 A 40 40 LYS HA H 40 4.528 4.326 0.202 1 1 452 . 17 1 1 A 40 40 LYS CA C 40 55.285 57.068 -1.783 1 1 453 . 17 1 1 A 40 40 LYS CB C 40 32.852 32.745 0.107 1 1 457 . 17 1 1 A 40 40 LYS N N 40 114.889 115.397 -0.508 1 1 458 . 17 1 1 A 41 41 SER H H 41 7.671 7.499 0.172 1 1 459 . 17 1 1 A 41 41 SER HA H 41 4.615 4.787 -0.172 1 1 462 . 17 1 1 A 41 41 SER CA C 41 58.189 56.258 1.931 1 1 463 . 17 1 1 A 41 41 SER CB C 41 63.924 64.463 -0.539 1 1 464 . 17 1 1 A 41 41 SER N N 41 114.795 116.423 -1.628 1 1 465 . 17 1 1 A 42 42 SER H H 42 8.927 8.915 0.012 1 1 466 . 17 1 1 A 42 42 SER HA H 42 4.792 4.393 0.399 1 1 469 . 17 1 1 A 42 42 SER CA C 42 58.133 60.881 -2.748 1 1 470 . 17 1 1 A 42 42 SER CB C 42 63.712 63.583 0.129 1 1 471 . 17 1 1 A 42 42 SER N N 42 120.934 122.325 -1.391 1 1 472 . 17 1 1 A 43 43 SER H H 43 8.320 7.907 0.413 1 1 473 . 17 1 1 A 43 43 SER HA H 43 4.654 4.477 0.177 1 1 476 . 17 1 1 A 43 43 SER CA C 43 57.309 58.711 -1.402 1 1 477 . 17 1 1 A 43 43 SER CB C 43 63.151 61.747 1.404 1 1 478 . 17 1 1 A 43 43 SER N N 43 115.966 115.203 0.763 1 1 479 . 17 1 1 A 44 44 GLY H H 44 8.182 8.523 -0.341 1 1 480 . 17 1 1 A 44 44 GLY HA2 H 44 4.206 4.091 0.115 1 1 481 . 17 1 1 A 44 44 GLY HA3 H 44 4.399 4.110 0.289 1 1 482 . 17 1 1 A 44 44 GLY CA C 44 44.540 44.518 0.022 1 1 483 . 17 1 1 A 44 44 GLY N N 44 110.764 115.299 -4.535 1 1 484 . 17 1 1 A 45 45 VAL H H 45 8.341 8.235 0.106 1 1 485 . 17 1 1 A 45 45 VAL HA H 45 4.845 5.143 -0.298 1 1 493 . 17 1 1 A 45 45 VAL CA C 45 58.981 59.428 -0.447 1 1 494 . 17 1 1 A 45 45 VAL CB C 45 35.239 34.914 0.325 1 1 497 . 17 1 1 A 45 45 VAL N N 45 114.116 115.700 -1.584 1 1 498 . 17 1 1 A 46 46 TYR H H 46 10.501 8.948 1.553 1 1 499 . 17 1 1 A 46 46 TYR HA H 46 5.004 5.216 -0.212 1 1 506 . 17 1 1 A 46 46 TYR CA C 46 58.121 57.261 0.860 1 1 507 . 17 1 1 A 46 46 TYR CB C 46 41.382 40.058 1.324 1 1 510 . 17 1 1 A 46 46 TYR N N 46 123.384 123.483 -0.099 1 1 511 . 17 1 1 A 47 47 LEU H H 47 9.364 9.282 0.082 1 1 512 . 17 1 1 A 47 47 LEU HA H 47 4.695 5.112 -0.417 1 1 522 . 17 1 1 A 47 47 LEU CA C 47 52.769 53.348 -0.579 1 1 523 . 17 1 1 A 47 47 LEU CB C 47 44.689 45.842 -1.153 1 1 527 . 17 1 1 A 47 47 LEU N N 47 118.822 124.512 -5.690 1 1 528 . 17 1 1 A 48 48 LEU H H 48 9.128 9.211 -0.083 1 1 529 . 17 1 1 A 48 48 LEU HA H 48 5.232 4.861 0.371 1 1 539 . 17 1 1 A 48 48 LEU CA C 48 51.100 51.282 -0.182 1 1 540 . 17 1 1 A 48 48 LEU CB C 48 40.141 44.178 -4.037 1 1 544 . 17 1 1 A 48 48 LEU N N 48 123.384 124.422 -1.038 1 1 545 . 17 1 1 A 49 49 PRO HA H 49 4.090 4.320 -0.230 1 1 552 . 17 1 1 A 49 49 PRO CA C 49 64.912 64.858 0.054 1 1 553 . 17 1 1 A 49 49 PRO CB C 49 31.607 31.880 -0.273 1 1 556 . 17 1 1 A 50 50 GLY H H 50 9.181 8.512 0.669 1 1 557 . 17 1 1 A 50 50 GLY HA2 H 50 3.933 3.968 -0.035 1 1 558 . 17 1 1 A 50 50 GLY HA3 H 50 4.757 3.970 0.787 1 1 559 . 17 1 1 A 50 50 GLY CA C 50 45.499 46.040 -0.541 1 1 560 . 17 1 1 A 50 50 GLY N N 50 106.827 107.152 -0.325 1 1 561 . 17 1 1 A 51 51 ALA H H 51 7.857 7.296 0.561 1 1 562 . 17 1 1 A 51 51 ALA HA H 51 4.264 4.515 -0.251 1 1 566 . 17 1 1 A 51 51 ALA CA C 51 53.156 51.067 2.089 1 1 567 . 17 1 1 A 51 51 ALA CB C 51 18.492 19.633 -1.141 1 1 568 . 17 1 1 A 51 51 ALA N N 51 120.192 121.071 -0.879 1 1 569 . 17 1 1 A 52 52 LYS H H 52 7.787 8.512 -0.725 1 1 570 . 17 1 1 A 52 52 LYS HA H 52 4.094 4.361 -0.267 1 1 579 . 17 1 1 A 52 52 LYS CA C 52 56.979 56.148 0.831 1 1 580 . 17 1 1 A 52 52 LYS CB C 52 30.731 31.544 -0.813 1 1 584 . 17 1 1 A 52 52 LYS N N 52 115.260 122.156 -6.896 1 1 585 . 17 1 1 A 53 53 THR H H 53 8.043 8.282 -0.239 1 1 586 . 17 1 1 A 53 53 THR HA H 53 4.924 5.075 -0.151 1 1 591 . 17 1 1 A 53 53 THR CA C 53 59.565 58.434 1.131 1 1 592 . 17 1 1 A 53 53 THR CB C 53 72.729 70.591 2.138 1 1 594 . 17 1 1 A 53 53 THR N N 53 114.085 115.653 -1.568 1 1 595 . 17 1 1 A 54 54 PRO HA H 54 4.860 5.088 -0.228 1 1 602 . 17 1 1 A 54 54 PRO CA C 54 62.176 62.312 -0.136 1 1 603 . 17 1 1 A 54 54 PRO CB C 54 32.820 32.708 0.112 1 1 606 . 17 1 1 A 55 55 ALA H H 55 8.834 8.429 0.405 1 1 607 . 17 1 1 A 55 55 ALA HA H 55 4.824 4.845 -0.021 1 1 611 . 17 1 1 A 55 55 ALA CA C 55 50.500 51.032 -0.532 1 1 612 . 17 1 1 A 55 55 ALA CB C 55 22.858 23.096 -0.238 1 1 613 . 17 1 1 A 55 55 ALA N N 55 122.227 121.547 0.680 1 1 614 . 17 1 1 A 56 56 ARG H H 56 8.445 8.552 -0.107 1 1 615 . 17 1 1 A 56 56 ARG HA H 56 5.262 4.561 0.701 1 1 623 . 17 1 1 A 56 56 ARG CA C 56 54.401 55.903 -1.502 1 1 624 . 17 1 1 A 56 56 ARG CB C 56 32.849 30.916 1.933 1 1 627 . 17 1 1 A 56 56 ARG N N 56 121.194 122.509 -1.315 1 1 629 . 17 1 1 A 57 57 LEU H H 57 9.159 9.338 -0.179 1 1 630 . 17 1 1 A 57 57 LEU HA H 57 4.672 5.118 -0.446 1 1 640 . 17 1 1 A 57 57 LEU CA C 57 53.028 53.438 -0.410 1 1 641 . 17 1 1 A 57 57 LEU CB C 57 46.231 45.889 0.342 1 1 645 . 17 1 1 A 57 57 LEU N N 57 125.694 128.620 -2.926 1 1 646 . 17 1 1 A 58 58 GLU H H 58 8.890 8.955 -0.065 1 1 647 . 17 1 1 A 58 58 GLU HA H 58 4.535 4.817 -0.282 1 1 652 . 17 1 1 A 58 58 GLU CA C 58 55.733 55.454 0.279 1 1 653 . 17 1 1 A 58 58 GLU CB C 58 27.970 30.810 -2.840 1 1 655 . 17 1 1 A 58 58 GLU N N 58 127.677 128.677 -1.000 1 1 656 . 17 1 1 A 59 59 SER H H 59 7.772 8.821 -1.049 1 1 657 . 17 1 1 A 59 59 SER HA H 59 4.970 4.972 -0.002 1 1 661 . 17 1 1 A 59 59 SER CA C 59 57.576 56.053 1.523 1 1 662 . 17 1 1 A 59 59 SER CB C 59 69.174 65.657 3.517 1 1 663 . 17 1 1 A 59 59 SER N N 59 121.860 121.236 0.624 1 1 664 . 17 1 1 A 60 60 GLN H H 60 9.336 8.016 1.320 1 1 665 . 17 1 1 A 60 60 GLN HA H 60 4.262 4.082 0.180 1 1 672 . 17 1 1 A 60 60 GLN CA C 60 57.792 58.453 -0.661 1 1 673 . 17 1 1 A 60 60 GLN CB C 60 29.669 28.476 1.193 1 1 675 . 17 1 1 A 60 60 GLN N N 60 119.522 117.985 1.537 1 1 677 . 17 1 1 A 61 61 ILE H H 61 8.007 7.266 0.741 1 1 678 . 17 1 1 A 61 61 ILE HA H 61 4.623 4.173 0.450 1 1 688 . 17 1 1 A 61 61 ILE CA C 61 59.813 60.988 -1.175 1 1 689 . 17 1 1 A 61 61 ILE CB C 61 37.013 38.120 -1.107 1 1 693 . 17 1 1 A 61 61 ILE N N 61 109.398 112.197 -2.799 1 1 694 . 17 1 1 A 62 62 GLY H H 62 7.223 7.182 0.041 1 1 695 . 17 1 1 A 62 62 GLY HA2 H 62 4.493 4.048 0.445 1 1 696 . 17 1 1 A 62 62 GLY HA3 H 62 3.872 4.056 -0.184 1 1 697 . 17 1 1 A 62 62 GLY CA C 62 43.022 44.213 -1.191 1 1 698 . 17 1 1 A 62 62 GLY N N 62 109.035 109.614 -0.579 1 1 699 . 17 1 1 A 63 63 THR H H 63 8.910 8.465 0.445 1 1 700 . 17 1 1 A 63 63 THR HA H 63 4.599 4.678 -0.079 1 1 705 . 17 1 1 A 63 63 THR CA C 63 64.037 63.044 0.993 1 1 706 . 17 1 1 A 63 63 THR CB C 63 68.111 69.635 -1.524 1 1 708 . 17 1 1 A 63 63 THR N N 63 119.711 116.367 3.344 1 1 709 . 17 1 1 A 64 64 LEU H H 64 9.070 8.935 0.135 1 1 710 . 17 1 1 A 64 64 LEU HA H 64 5.120 5.300 -0.180 1 1 720 . 17 1 1 A 64 64 LEU CA C 64 52.680 52.707 -0.027 1 1 721 . 17 1 1 A 64 64 LEU CB C 64 44.749 46.230 -1.481 1 1 725 . 17 1 1 A 64 64 LEU N N 64 127.640 123.040 4.600 1 1 726 . 17 1 1 A 65 65 ARG H H 65 9.271 9.073 0.198 1 1 727 . 17 1 1 A 65 65 ARG HA H 65 4.989 5.207 -0.218 1 1 735 . 17 1 1 A 65 65 ARG CA C 65 54.814 54.534 0.280 1 1 736 . 17 1 1 A 65 65 ARG CB C 65 31.836 33.057 -1.221 1 1 739 . 17 1 1 A 65 65 ARG N N 65 122.680 119.831 2.849 1 1 741 . 17 1 1 A 66 66 MET H H 66 9.310 9.123 0.187 1 1 742 . 17 1 1 A 66 66 MET HA H 66 5.822 5.596 0.226 1 1 747 . 17 1 1 A 66 66 MET CA C 66 53.936 53.969 -0.033 1 1 748 . 17 1 1 A 66 66 MET CB C 66 35.912 34.204 1.708 1 1 750 . 17 1 1 A 66 66 MET N N 66 125.309 126.987 -1.678 1 1 751 . 17 1 1 A 67 67 SER H H 67 8.943 9.069 -0.126 1 1 752 . 17 1 1 A 67 67 SER HA H 67 4.660 5.264 -0.604 1 1 755 . 17 1 1 A 67 67 SER CA C 67 57.460 56.645 0.815 1 1 756 . 17 1 1 A 67 67 SER CB C 67 65.747 65.959 -0.212 1 1 757 . 17 1 1 A 67 67 SER N N 67 112.115 116.133 -4.018 1 1 758 . 17 1 1 A 68 68 LEU H H 68 8.410 8.844 -0.434 1 1 759 . 17 1 1 A 68 68 LEU HA H 68 5.115 5.089 0.026 1 1 769 . 17 1 1 A 68 68 LEU CA C 68 52.837 53.491 -0.654 1 1 770 . 17 1 1 A 68 68 LEU CB C 68 42.269 42.927 -0.658 1 1 774 . 17 1 1 A 68 68 LEU N N 68 118.367 124.858 -6.491 1 1 775 . 17 1 1 A 69 69 VAL H H 69 9.060 8.390 0.670 1 1 776 . 17 1 1 A 69 69 VAL HA H 69 4.440 4.597 -0.157 1 1 784 . 17 1 1 A 69 69 VAL CA C 69 59.852 59.468 0.384 1 1 785 . 17 1 1 A 69 69 VAL CB C 69 35.349 35.284 0.065 1 1 788 . 17 1 1 A 69 69 VAL N N 69 119.888 118.459 1.429 1 1 789 . 17 1 1 A 70 70 ASN H H 70 8.651 8.769 -0.118 1 1 790 . 17 1 1 A 70 70 ASN HA H 70 4.345 4.224 0.121 1 1 795 . 17 1 1 A 70 70 ASN CA C 70 53.555 54.053 -0.498 1 1 796 . 17 1 1 A 70 70 ASN CB C 70 36.932 36.938 -0.006 1 1 797 . 17 1 1 A 70 70 ASN N N 70 119.166 117.878 1.288 1 1 799 . 17 1 1 A 71 71 ILE H H 71 8.449 8.028 0.421 1 1 800 . 17 1 1 A 71 71 ILE HA H 71 4.235 4.089 0.146 1 1 810 . 17 1 1 A 71 71 ILE CA C 71 63.104 61.738 1.366 1 1 811 . 17 1 1 A 71 71 ILE CB C 71 37.200 36.941 0.259 1 1 815 . 17 1 1 A 71 71 ILE N N 71 121.388 119.597 1.791 1 1 816 . 17 1 1 A 72 72 THR H H 72 9.511 8.727 0.784 1 1 817 . 17 1 1 A 72 72 THR HA H 72 4.967 5.119 -0.152 1 1 822 . 17 1 1 A 72 72 THR CA C 72 59.584 58.410 1.174 1 1 823 . 17 1 1 A 72 72 THR CB C 72 71.930 70.663 1.267 1 1 825 . 17 1 1 A 72 72 THR N N 72 125.726 117.834 7.892 1 1 826 . 17 1 1 A 73 73 PRO HA H 73 4.822 4.637 0.185 1 1 833 . 17 1 1 A 73 73 PRO CA C 73 63.362 62.739 0.623 1 1 834 . 17 1 1 A 73 73 PRO CB C 73 32.451 32.444 0.007 1 1 837 . 17 1 1 A 74 74 ASP H H 74 8.404 8.938 -0.534 1 1 838 . 17 1 1 A 74 74 ASP HA H 74 4.824 4.937 -0.113 1 1 841 . 17 1 1 A 74 74 ASP CA C 74 52.609 52.070 0.539 1 1 842 . 17 1 1 A 74 74 ASP CB C 74 43.743 44.313 -0.570 1 1 843 . 17 1 1 A 74 74 ASP N N 74 122.325 121.387 0.938 1 1 844 . 17 1 1 A 75 75 ALA H H 75 8.539 8.744 -0.205 1 1 845 . 17 1 1 A 75 75 ALA HA H 75 4.062 4.009 0.053 1 1 849 . 17 1 1 A 75 75 ALA CA C 75 54.431 54.973 -0.542 1 1 850 . 17 1 1 A 75 75 ALA CB C 75 18.117 18.384 -0.267 1 1 851 . 17 1 1 A 75 75 ALA N N 75 123.501 125.048 -1.547 1 1 852 . 17 1 1 A 76 76 ASP H H 76 8.356 7.634 0.722 1 1 853 . 17 1 1 A 76 76 ASP HA H 76 4.815 4.573 0.242 1 1 856 . 17 1 1 A 76 76 ASP CA C 76 53.161 54.262 -1.101 1 1 857 . 17 1 1 A 76 76 ASP CB C 76 41.234 41.229 0.005 1 1 858 . 17 1 1 A 76 76 ASP N N 76 115.326 114.164 1.162 1 1 859 . 17 1 1 A 77 77 GLY H H 77 7.569 7.516 0.053 1 1 860 . 17 1 1 A 77 77 GLY HA2 H 77 3.925 4.043 -0.118 1 1 861 . 17 1 1 A 77 77 GLY HA3 H 77 4.508 4.056 0.452 1 1 862 . 17 1 1 A 77 77 GLY CA C 77 46.675 46.239 0.436 1 1 863 . 17 1 1 A 77 77 GLY N N 77 109.452 106.829 2.623 1 1 864 . 17 1 1 A 78 78 THR H H 78 8.272 8.609 -0.337 1 1 865 . 17 1 1 A 78 78 THR HA H 78 4.655 5.014 -0.359 1 1 870 . 17 1 1 A 78 78 THR CA C 78 63.204 61.248 1.956 1 1 871 . 17 1 1 A 78 78 THR CB C 78 72.222 71.867 0.355 1 1 873 . 17 1 1 A 78 78 THR N N 78 122.442 116.298 6.144 1 1 874 . 17 1 1 A 79 79 THR H H 79 9.027 9.063 -0.036 1 1 875 . 17 1 1 A 79 79 THR HA H 79 5.164 5.433 -0.269 1 1 880 . 17 1 1 A 79 79 THR CA C 79 60.303 60.453 -0.150 1 1 881 . 17 1 1 A 79 79 THR CB C 79 70.442 70.495 -0.053 1 1 883 . 17 1 1 A 79 79 THR N N 79 121.451 118.450 3.001 1 1 884 . 17 1 1 A 80 80 LEU H H 80 8.698 9.002 -0.304 1 1 885 . 17 1 1 A 80 80 LEU HA H 80 4.835 5.147 -0.312 1 1 895 . 17 1 1 A 80 80 LEU CA C 80 54.194 53.254 0.940 1 1 896 . 17 1 1 A 80 80 LEU CB C 80 44.576 46.104 -1.528 1 1 900 . 17 1 1 A 80 80 LEU N N 80 119.374 124.036 -4.662 1 1 901 . 17 1 1 A 81 81 THR H H 81 8.675 8.917 -0.242 1 1 902 . 17 1 1 A 81 81 THR HA H 81 4.740 4.790 -0.050 1 1 907 . 17 1 1 A 81 81 THR CA C 81 61.838 62.205 -0.367 1 1 908 . 17 1 1 A 81 81 THR CB C 81 70.190 69.359 0.831 1 1 910 . 17 1 1 A 81 81 THR N N 81 116.982 117.393 -0.411 1 1 911 . 17 1 1 A 82 82 LEU H H 82 8.898 8.934 -0.036 1 1 912 . 17 1 1 A 82 82 LEU HA H 82 4.748 4.835 -0.087 1 1 922 . 17 1 1 A 82 82 LEU CA C 82 53.076 54.114 -1.038 1 1 923 . 17 1 1 A 82 82 LEU CB C 82 43.189 43.415 -0.226 1 1 927 . 17 1 1 A 82 82 LEU N N 82 130.905 129.846 1.059 1 1 928 . 17 1 1 A 83 83 ARG H H 83 9.162 9.107 0.055 1 1 929 . 17 1 1 A 83 83 ARG HA H 83 5.174 5.246 -0.072 1 1 936 . 17 1 1 A 83 83 ARG CA C 83 54.441 55.120 -0.679 1 1 937 . 17 1 1 A 83 83 ARG CB C 83 31.332 32.168 -0.836 1 1 940 . 17 1 1 A 83 83 ARG N N 83 131.064 126.500 4.564 1 1 941 . 17 1 1 A 84 84 ILE H H 84 9.474 9.306 0.168 1 1 942 . 17 1 1 A 84 84 ILE HA H 84 4.611 4.650 -0.039 1 1 952 . 17 1 1 A 84 84 ILE CA C 84 60.486 60.682 -0.196 1 1 953 . 17 1 1 A 84 84 ILE CB C 84 40.120 38.277 1.843 1 1 957 . 17 1 1 A 84 84 ILE N N 84 128.394 124.136 4.258 1 1 958 . 17 1 1 A 85 85 GLN H H 85 9.137 9.025 0.112 1 1 959 . 17 1 1 A 85 85 GLN HA H 85 5.457 4.641 0.816 1 1 966 . 17 1 1 A 85 85 GLN CA C 85 53.109 55.147 -2.038 1 1 967 . 17 1 1 A 85 85 GLN CB C 85 32.450 29.246 3.204 1 1 969 . 17 1 1 A 85 85 GLN N N 85 124.857 126.679 -1.822 1 1 971 . 17 1 1 A 86 86 GLY H H 86 9.090 8.912 0.178 1 1 972 . 17 1 1 A 86 86 GLY HA2 H 86 3.813 4.031 -0.218 1 1 973 . 17 1 1 A 86 86 GLY HA3 H 86 4.499 4.046 0.453 1 1 974 . 17 1 1 A 86 86 GLY CA C 86 44.877 45.571 -0.694 1 1 975 . 17 1 1 A 86 86 GLY N N 86 110.702 112.007 -1.305 1 1 976 . 17 1 1 A 87 87 GLU H H 87 8.128 8.729 -0.601 1 1 977 . 17 1 1 A 87 87 GLU HA H 87 4.472 4.104 0.368 1 1 982 . 17 1 1 A 87 87 GLU CA C 87 56.057 58.744 -2.687 1 1 983 . 17 1 1 A 87 87 GLU CB C 87 29.943 29.678 0.265 1 1 985 . 17 1 1 A 87 87 GLU N N 87 120.445 122.122 -1.677 1 1 986 . 17 1 1 A 88 88 SER H H 88 8.063 7.882 0.181 1 1 987 . 17 1 1 A 88 88 SER HA H 88 4.469 4.410 0.059 1 1 990 . 17 1 1 A 88 88 SER CA C 88 57.472 59.806 -2.334 1 1 991 . 17 1 1 A 88 88 SER CB C 88 63.799 63.273 0.526 1 1 992 . 17 1 1 A 88 88 SER N N 88 113.821 116.518 -2.697 1 1 993 . 17 1 1 A 89 89 ASN H H 89 8.502 8.894 -0.392 1 1 994 . 17 1 1 A 89 89 ASN HA H 89 4.533 4.823 -0.290 1 1 999 . 17 1 1 A 89 89 ASN CA C 89 53.715 53.215 0.500 1 1 1000 . 17 1 1 A 89 89 ASN CB C 89 38.212 37.727 0.485 1 1 1001 . 17 1 1 A 89 89 ASN N N 89 119.482 124.526 -5.044 1 1 1003 . 17 1 1 A 90 90 ASP H H 90 8.104 7.723 0.381 1 1 1004 . 17 1 1 A 90 90 ASP HA H 90 5.061 5.150 -0.089 1 1 1007 . 17 1 1 A 90 90 ASP CA C 90 51.392 50.672 0.720 1 1 1008 . 17 1 1 A 90 90 ASP CB C 90 41.223 42.545 -1.322 1 1 1009 . 17 1 1 A 90 90 ASP N N 90 119.891 118.311 1.580 1 1 1010 . 17 1 1 A 91 91 PRO HA H 91 4.156 4.809 -0.653 1 1 1017 . 17 1 1 A 91 91 PRO CA C 91 62.200 63.080 -0.880 1 1 1018 . 17 1 1 A 91 91 PRO CB C 91 30.844 31.735 -0.891 1 1 1021 . 17 1 1 A 92 92 LEU H H 92 8.206 8.320 -0.114 1 1 1022 . 17 1 1 A 92 92 LEU HA H 92 4.504 4.613 -0.109 1 1 1032 . 17 1 1 A 92 92 LEU CA C 92 52.697 53.009 -0.312 1 1 1033 . 17 1 1 A 92 92 LEU CB C 92 41.249 41.251 -0.002 1 1 1037 . 17 1 1 A 92 92 LEU N N 92 123.954 123.932 0.022 1 1 1038 . 17 1 1 A 93 93 PRO HA H 93 4.808 4.538 0.270 1 1 1045 . 17 1 1 A 93 93 PRO CA C 93 61.122 62.338 -1.216 1 1 1046 . 17 1 1 A 93 93 PRO CB C 93 32.289 32.287 0.002 1 1 1049 . 17 1 1 A 94 94 ALA H H 94 8.420 8.353 0.067 1 1 1050 . 17 1 1 A 94 94 ALA HA H 94 4.164 4.277 -0.113 1 1 1054 . 17 1 1 A 94 94 ALA CA C 94 52.655 53.233 -0.578 1 1 1055 . 17 1 1 A 94 94 ALA CB C 94 18.563 19.104 -0.541 1 1 1056 . 17 1 1 A 94 94 ALA N N 94 120.368 123.919 -3.551 1 1 1057 . 17 1 1 A 95 95 PHE H H 95 7.961 7.801 0.160 1 1 1058 . 17 1 1 A 95 95 PHE HA H 95 5.489 5.576 -0.087 1 1 1066 . 17 1 1 A 95 95 PHE CA C 95 56.213 55.403 0.810 1 1 1067 . 17 1 1 A 95 95 PHE CB C 95 41.552 41.950 -0.398 1 1 1071 . 17 1 1 A 95 95 PHE N N 95 115.209 117.315 -2.106 1 1 1072 . 17 1 1 A 96 96 SER H H 96 9.231 9.522 -0.291 1 1 1073 . 17 1 1 A 96 96 SER HA H 96 5.427 5.396 0.031 1 1 1076 . 17 1 1 A 96 96 SER CA C 96 55.549 56.900 -1.351 1 1 1077 . 17 1 1 A 96 96 SER CB C 96 66.681 65.685 0.996 1 1 1078 . 17 1 1 A 96 96 SER N N 96 114.106 114.602 -0.496 1 1 1079 . 17 1 1 A 97 97 GLY H H 97 8.269 8.994 -0.725 1 1 1080 . 17 1 1 A 97 97 GLY HA2 H 97 4.612 4.382 0.230 1 1 1081 . 17 1 1 A 97 97 GLY HA3 H 97 3.571 4.423 -0.852 1 1 1082 . 17 1 1 A 97 97 GLY CA C 97 45.139 44.311 0.828 1 1 1083 . 17 1 1 A 97 97 GLY N N 97 104.730 110.988 -6.258 1 1 1084 . 17 1 1 A 98 98 THR H H 98 8.068 8.867 -0.799 1 1 1085 . 17 1 1 A 98 98 THR HA H 98 4.836 5.114 -0.278 1 1 1090 . 17 1 1 A 98 98 THR CA C 98 62.462 61.278 1.184 1 1 1091 . 17 1 1 A 98 98 THR CB C 98 70.240 69.849 0.391 1 1 1093 . 17 1 1 A 98 98 THR N N 98 115.596 115.482 0.114 1 1 1094 . 17 1 1 A 99 99 VAL H H 99 9.016 9.369 -0.353 1 1 1095 . 17 1 1 A 99 99 VAL HA H 99 5.040 5.147 -0.107 1 1 1103 . 17 1 1 A 99 99 VAL CA C 99 59.695 59.997 -0.302 1 1 1104 . 17 1 1 A 99 99 VAL CB C 99 33.810 33.964 -0.154 1 1 1107 . 17 1 1 A 99 99 VAL N N 99 124.571 128.125 -3.554 1 1 1108 . 17 1 1 A 100 100 GLU H H 100 9.595 9.510 0.085 1 1 1109 . 17 1 1 A 100 100 GLU HA H 100 5.463 4.793 0.670 1 1 1114 . 17 1 1 A 100 100 GLU CA C 100 53.132 55.726 -2.594 1 1 1115 . 17 1 1 A 100 100 GLU CB C 100 31.806 30.776 1.030 1 1 1117 . 17 1 1 A 100 100 GLU N N 100 125.607 128.119 -2.512 1 1 1118 . 17 1 1 A 101 101 TYR H H 101 8.576 8.842 -0.266 1 1 1119 . 17 1 1 A 101 101 TYR HA H 101 4.568 5.749 -1.181 1 1 1126 . 17 1 1 A 101 101 TYR CA C 101 54.809 55.088 -0.279 1 1 1127 . 17 1 1 A 101 101 TYR CB C 101 39.516 41.472 -1.956 1 1 1130 . 17 1 1 A 101 101 TYR N N 101 117.224 122.166 -4.942 1 1 1131 . 17 1 1 A 102 102 GLY H H 102 6.489 7.260 -0.771 1 1 1132 . 17 1 1 A 102 102 GLY HA2 H 102 3.948 4.093 -0.145 1 1 1133 . 17 1 1 A 102 102 GLY HA3 H 102 4.190 4.158 0.032 1 1 1134 . 17 1 1 A 102 102 GLY CA C 102 46.509 45.794 0.715 1 1 1135 . 17 1 1 A 102 102 GLY N N 102 103.890 106.215 -2.325 1 1 1136 . 17 1 1 A 103 103 GLN H H 103 8.789 8.775 0.014 1 1 1137 . 17 1 1 A 103 103 GLN HA H 103 4.893 5.317 -0.424 1 1 1144 . 17 1 1 A 103 103 GLN CA C 103 54.742 54.134 0.608 1 1 1145 . 17 1 1 A 103 103 GLN CB C 103 31.972 32.885 -0.913 1 1 1147 . 17 1 1 A 103 103 GLN N N 103 121.055 120.398 0.657 1 1 1149 . 17 1 1 A 104 104 ILE H H 104 8.877 9.125 -0.248 1 1 1150 . 17 1 1 A 104 104 ILE HA H 104 5.033 4.740 0.293 1 1 1160 . 17 1 1 A 104 104 ILE CA C 104 59.495 60.673 -1.178 1 1 1161 . 17 1 1 A 104 104 ILE CB C 104 40.485 40.115 0.370 1 1 1165 . 17 1 1 A 104 104 ILE N N 104 119.483 122.402 -2.919 1 1 1166 . 17 1 1 A 105 105 GLN H H 105 8.807 8.364 0.443 1 1 1167 . 17 1 1 A 105 105 GLN HA H 105 4.785 4.388 0.397 1 1 1174 . 17 1 1 A 105 105 GLN CA C 105 53.586 57.060 -3.474 1 1 1175 . 17 1 1 A 105 105 GLN CB C 105 32.029 29.763 2.266 1 1 1177 . 17 1 1 A 105 105 GLN N N 105 126.014 124.037 1.977 1 1 1179 . 17 1 1 A 106 106 GLY H H 106 8.680 7.857 0.823 1 1 1180 . 17 1 1 A 106 106 GLY HA2 H 106 4.878 4.065 0.813 1 1 1181 . 17 1 1 A 106 106 GLY HA3 H 106 3.898 4.119 -0.221 1 1 1182 . 17 1 1 A 106 106 GLY CA C 106 43.994 44.270 -0.276 1 1 1183 . 17 1 1 A 106 106 GLY N N 106 111.899 109.673 2.226 1 1 1184 . 17 1 1 A 107 107 THR H H 107 7.984 8.564 -0.580 1 1 1185 . 17 1 1 A 107 107 THR HA H 107 4.571 4.645 -0.074 1 1 1190 . 17 1 1 A 107 107 THR CA C 107 59.611 60.388 -0.777 1 1 1191 . 17 1 1 A 107 107 THR CB C 107 71.146 71.101 0.045 1 1 1193 . 17 1 1 A 107 107 THR N N 107 111.498 111.955 -0.457 1 1 1194 . 17 1 1 A 108 108 ILE H H 108 8.345 8.680 -0.335 1 1 1195 . 17 1 1 A 108 108 ILE HA H 108 3.775 3.847 -0.072 1 1 1205 . 17 1 1 A 108 108 ILE CA C 108 62.916 62.447 0.469 1 1 1206 . 17 1 1 A 108 108 ILE CB C 108 37.737 37.396 0.341 1 1 1210 . 17 1 1 A 108 108 ILE N N 108 117.576 121.273 -3.697 1 1 1211 . 17 1 1 A 109 109 ASP H H 109 7.753 7.827 -0.074 1 1 1212 . 17 1 1 A 109 109 ASP HA H 109 4.564 4.799 -0.235 1 1 1215 . 17 1 1 A 109 109 ASP CA C 109 54.540 55.476 -0.936 1 1 1216 . 17 1 1 A 109 109 ASP CB C 109 41.360 43.529 -2.169 1 1 1217 . 17 1 1 A 109 109 ASP N N 109 116.045 119.186 -3.141 1 1 1218 . 17 1 1 A 110 110 ASN H H 110 7.719 8.156 -0.437 1 1 1219 . 17 1 1 A 110 110 ASN HA H 110 4.723 5.043 -0.320 1 1 1224 . 17 1 1 A 110 110 ASN CA C 110 53.036 52.143 0.893 1 1 1225 . 17 1 1 A 110 110 ASN CB C 110 38.443 40.031 -1.588 1 1 1226 . 17 1 1 A 110 110 ASN N N 110 119.075 114.619 4.456 1 1 1228 . 17 1 1 A 111 111 PHE H H 111 7.977 8.582 -0.605 1 1 1229 . 17 1 1 A 111 111 PHE HA H 111 5.249 5.387 -0.138 1 1 1237 . 17 1 1 A 111 111 PHE CA C 111 56.627 55.273 1.354 1 1 1238 . 17 1 1 A 111 111 PHE CB C 111 40.215 42.547 -2.332 1 1 1242 . 17 1 1 A 111 111 PHE N N 111 122.138 119.246 2.892 1 1 1243 . 17 1 1 A 112 112 GLN H H 112 8.715 8.645 0.070 1 1 1244 . 17 1 1 A 112 112 GLN HA H 112 4.540 4.708 -0.168 1 1 1251 . 17 1 1 A 112 112 GLN CA C 112 54.035 54.331 -0.296 1 1 1252 . 17 1 1 A 112 112 GLN CB C 112 31.861 31.209 0.652 1 1 1254 . 17 1 1 A 112 112 GLN N N 112 119.575 119.293 0.282 1 1 1256 . 17 1 1 A 113 113 GLU H H 113 8.546 8.692 -0.146 1 1 1257 . 17 1 1 A 113 113 GLU HA H 113 4.780 4.836 -0.056 1 1 1262 . 17 1 1 A 113 113 GLU CA C 113 55.412 56.539 -1.127 1 1 1263 . 17 1 1 A 113 113 GLU CB C 113 29.886 30.219 -0.333 1 1 1265 . 17 1 1 A 113 113 GLU N N 113 122.846 123.445 -0.599 1 1 1266 . 17 1 1 A 114 114 ILE H H 114 8.913 8.530 0.383 1 1 1267 . 17 1 1 A 114 114 ILE HA H 114 4.662 4.637 0.025 1 1 1277 . 17 1 1 A 114 114 ILE CA C 114 59.144 59.492 -0.348 1 1 1278 . 17 1 1 A 114 114 ILE CB C 114 41.873 40.485 1.388 1 1 1282 . 17 1 1 A 114 114 ILE N N 114 120.222 121.553 -1.331 1 1 1283 . 17 1 1 A 115 115 ASN H H 115 8.916 8.809 0.107 1 1 1284 . 17 1 1 A 115 115 ASN HA H 115 4.340 4.243 0.097 1 1 1289 . 17 1 1 A 115 115 ASN CA C 115 53.444 54.242 -0.798 1 1 1290 . 17 1 1 A 115 115 ASN CB C 115 36.467 37.062 -0.595 1 1 1291 . 17 1 1 A 115 115 ASN N N 115 120.916 118.770 2.146 1 1 1293 . 17 1 1 A 116 116 VAL H H 116 8.044 7.874 0.170 1 1 1294 . 17 1 1 A 116 116 VAL HA H 116 4.389 4.460 -0.071 1 1 1302 . 17 1 1 A 116 116 VAL CA C 116 63.183 60.935 2.248 1 1 1303 . 17 1 1 A 116 116 VAL CB C 116 32.216 32.676 -0.460 1 1 1306 . 17 1 1 A 116 116 VAL N N 116 117.046 118.853 -1.807 1 1 1307 . 17 1 1 A 117 117 GLN H H 117 8.582 8.216 0.366 1 1 1308 . 17 1 1 A 117 117 GLN HA H 117 4.550 4.961 -0.411 1 1 1315 . 17 1 1 A 117 117 GLN CA C 117 53.827 53.178 0.649 1 1 1316 . 17 1 1 A 117 117 GLN CB C 117 33.119 31.873 1.246 1 1 1318 . 17 1 1 A 117 117 GLN N N 117 127.086 126.245 0.841 1 1 1320 . 17 1 1 A 118 118 ASN H H 118 8.330 8.901 -0.571 1 1 1321 . 17 1 1 A 118 118 ASN HA H 118 5.845 6.448 -0.603 1 1 1326 . 17 1 1 A 118 118 ASN CA C 118 51.736 51.051 0.685 1 1 1327 . 17 1 1 A 118 118 ASN CB C 118 42.644 42.818 -0.174 1 1 1328 . 17 1 1 A 118 118 ASN N N 118 113.251 117.493 -4.242 1 1 1330 . 17 1 1 A 119 119 GLN H H 119 9.187 8.684 0.503 1 1 1331 . 17 1 1 A 119 119 GLN HA H 119 4.693 4.841 -0.148 1 1 1338 . 17 1 1 A 119 119 GLN CA C 119 55.160 54.739 0.421 1 1 1339 . 17 1 1 A 119 119 GLN CB C 119 34.157 33.216 0.941 1 1 1341 . 17 1 1 A 119 119 GLN N N 119 116.799 119.224 -2.425 1 1 1343 . 17 1 1 A 120 120 LEU H H 120 8.544 8.844 -0.300 1 1 1344 . 17 1 1 A 120 120 LEU HA H 120 5.059 4.882 0.177 1 1 1354 . 17 1 1 A 120 120 LEU CA C 120 54.327 53.589 0.738 1 1 1355 . 17 1 1 A 120 120 LEU CB C 120 42.839 41.754 1.085 1 1 1359 . 17 1 1 A 120 120 LEU N N 120 123.292 126.165 -2.873 1 1 1360 . 17 1 1 A 121 121 ILE H H 121 8.657 9.176 -0.519 1 1 1361 . 17 1 1 A 121 121 ILE HA H 121 4.778 4.878 -0.100 1 1 1371 . 17 1 1 A 121 121 ILE CA C 121 58.770 60.075 -1.305 1 1 1372 . 17 1 1 A 121 121 ILE CB C 121 41.582 39.145 2.437 1 1 1376 . 17 1 1 A 121 121 ILE N N 121 116.046 123.008 -6.962 1 1 1377 . 17 1 1 A 122 122 ASN H H 122 8.329 9.048 -0.719 1 1 1378 . 17 1 1 A 122 122 ASN HA H 122 5.068 5.380 -0.312 1 1 1383 . 17 1 1 A 122 122 ASN CA C 122 52.654 52.255 0.399 1 1 1384 . 17 1 1 A 122 122 ASN CB C 122 42.112 40.098 2.014 1 1 1385 . 17 1 1 A 122 122 ASN N N 122 118.416 126.189 -7.773 1 1 1387 . 17 1 1 A 123 123 ALA H H 123 8.547 8.202 0.345 1 1 1388 . 17 1 1 A 123 123 ALA HA H 123 4.597 4.622 -0.025 1 1 1392 . 17 1 1 A 123 123 ALA CA C 123 48.537 49.728 -1.191 1 1 1393 . 17 1 1 A 123 123 ALA CB C 123 19.998 19.120 0.878 1 1 1394 . 17 1 1 A 123 123 ALA N N 123 124.108 127.726 -3.618 1 1 1395 . 17 1 1 A 124 124 PRO HA H 124 4.537 4.482 0.055 1 1 1402 . 17 1 1 A 124 124 PRO CA C 124 60.979 62.558 -1.579 1 1 1403 . 17 1 1 A 124 124 PRO CB C 124 32.285 32.549 -0.264 1 1 1406 . 17 1 1 A 125 125 ALA H H 125 8.587 8.279 0.308 1 1 1407 . 17 1 1 A 125 125 ALA HA H 125 3.899 4.250 -0.351 1 1 1411 . 17 1 1 A 125 125 ALA CA C 125 52.692 52.854 -0.162 1 1 1412 . 17 1 1 A 125 125 ALA CB C 125 18.631 19.217 -0.586 1 1 1413 . 17 1 1 A 125 125 ALA N N 125 121.333 124.861 -3.528 1 1 1414 . 17 1 1 A 126 126 SER H H 126 8.227 8.849 -0.622 1 1 1415 . 17 1 1 A 126 126 SER HA H 126 4.616 4.563 0.053 1 1 1418 . 17 1 1 A 126 126 SER CA C 126 59.168 57.584 1.584 1 1 1419 . 17 1 1 A 126 126 SER CB C 126 64.636 60.682 3.954 1 1 1420 . 17 1 1 A 126 126 SER N N 126 118.947 120.107 -1.160 1 1 1421 . 17 1 1 A 127 127 VAL H H 127 8.595 8.130 0.465 1 1 1422 . 17 1 1 A 127 127 VAL HA H 127 4.276 4.001 0.275 1 1 1430 . 17 1 1 A 127 127 VAL CA C 127 62.194 64.269 -2.075 1 1 1431 . 17 1 1 A 127 127 VAL CB C 127 32.852 31.905 0.947 1 1 1434 . 17 1 1 A 127 127 VAL N N 127 117.209 123.929 -6.720 1 1 1435 . 17 1 1 A 128 128 LEU H H 128 7.844 7.452 0.392 1 1 1436 . 17 1 1 A 128 128 LEU HA H 128 4.588 4.260 0.328 1 1 1446 . 17 1 1 A 128 128 LEU CA C 128 53.639 54.139 -0.500 1 1 1447 . 17 1 1 A 128 128 LEU CB C 128 44.574 42.805 1.769 1 1 1451 . 17 1 1 A 128 128 LEU N N 128 121.103 124.422 -3.319 1 1 1452 . 17 1 1 A 129 129 ALA H H 129 8.377 8.745 -0.368 1 1 1453 . 17 1 1 A 129 129 ALA HA H 129 4.538 4.769 -0.231 1 1 1457 . 17 1 1 A 129 129 ALA CA C 129 53.476 49.398 4.078 1 1 1458 . 17 1 1 A 129 129 ALA CB C 129 20.982 21.959 -0.977 1 1 1459 . 17 1 1 A 129 129 ALA N N 129 123.679 125.770 -2.091 1 1 1460 . 17 1 1 A 130 130 PRO HA H 130 4.669 4.598 0.071 1 1 1467 . 17 1 1 A 130 130 PRO CA C 130 62.314 62.511 -0.197 1 1 1468 . 17 1 1 A 130 130 PRO CB C 130 33.473 32.456 1.017 1 1 1471 . 17 1 1 A 131 131 SER H H 131 9.365 8.495 0.870 1 1 1472 . 17 1 1 A 131 131 SER HA H 131 4.520 4.762 -0.242 1 1 1475 . 17 1 1 A 131 131 SER CA C 131 59.385 58.278 1.107 1 1 1476 . 17 1 1 A 131 131 SER CB C 131 63.866 62.815 1.051 1 1 1477 . 17 1 1 A 131 131 SER N N 131 122.226 118.361 3.865 1 1 1478 . 17 1 1 A 132 132 ASP H H 132 8.608 8.493 0.115 1 1 1479 . 17 1 1 A 132 132 ASP HA H 132 5.260 5.974 -0.714 1 1 1482 . 17 1 1 A 132 132 ASP CA C 132 53.345 52.481 0.864 1 1 1483 . 17 1 1 A 132 132 ASP CB C 132 41.791 42.291 -0.500 1 1 1484 . 17 1 1 A 132 132 ASP N N 132 124.814 123.947 0.867 1 1 1485 . 17 1 1 A 133 133 VAL H H 133 9.405 8.987 0.418 1 1 1486 . 17 1 1 A 133 133 VAL HA H 133 4.226 4.573 -0.347 1 1 1494 . 17 1 1 A 133 133 VAL CA C 133 61.669 61.666 0.003 1 1 1495 . 17 1 1 A 133 133 VAL CB C 133 34.448 32.573 1.875 1 1 1498 . 17 1 1 A 133 133 VAL N N 133 127.192 125.293 1.899 1 1 1499 . 17 1 1 A 134 134 ASP H H 134 8.468 8.719 -0.251 1 1 1500 . 17 1 1 A 134 134 ASP HA H 134 5.368 5.371 -0.003 1 1 1503 . 17 1 1 A 134 134 ASP CA C 134 52.326 53.175 -0.849 1 1 1504 . 17 1 1 A 134 134 ASP CB C 134 41.245 42.895 -1.650 1 1 1505 . 17 1 1 A 134 134 ASP N N 134 127.161 125.679 1.482 1 1 1506 . 17 1 1 A 135 135 ILE H H 135 9.406 8.591 0.815 1 1 1507 . 17 1 1 A 135 135 ILE HA H 135 4.636 4.903 -0.267 1 1 1517 . 17 1 1 A 135 135 ILE CA C 135 57.478 57.077 0.401 1 1 1518 . 17 1 1 A 135 135 ILE CB C 135 39.411 40.817 -1.406 1 1 1522 . 17 1 1 A 135 135 ILE N N 135 125.603 118.316 7.287 1 1 1523 . 17 1 1 A 136 136 PRO HA H 136 4.844 4.775 0.069 1 1 1530 . 17 1 1 A 136 136 PRO CA C 136 62.314 62.354 -0.040 1 1 1531 . 17 1 1 A 136 136 PRO CB C 136 31.563 31.747 -0.184 1 1 1534 . 17 1 1 A 137 137 LEU H H 137 9.196 8.739 0.457 1 1 1535 . 17 1 1 A 137 137 LEU HA H 137 4.739 4.859 -0.120 1 1 1545 . 17 1 1 A 137 137 LEU CA C 137 53.609 53.364 0.245 1 1 1546 . 17 1 1 A 137 137 LEU CB C 137 45.473 44.407 1.066 1 1 1550 . 17 1 1 A 137 137 LEU N N 137 124.087 123.887 0.200 1 1 1551 . 17 1 1 A 138 138 GLN H H 138 8.928 9.023 -0.095 1 1 1552 . 17 1 1 A 138 138 GLN HA H 138 4.581 4.879 -0.298 1 1 1559 . 17 1 1 A 138 138 GLN CA C 138 54.780 54.572 0.208 1 1 1560 . 17 1 1 A 138 138 GLN CB C 138 29.048 30.147 -1.099 1 1 1562 . 17 1 1 A 138 138 GLN N N 138 122.528 128.256 -5.728 1 1 1564 . 17 1 1 A 139 139 LEU H H 139 9.039 8.747 0.292 1 1 1565 . 17 1 1 A 139 139 LEU HA H 139 4.205 4.146 0.059 1 1 1575 . 17 1 1 A 139 139 LEU CA C 139 52.367 54.348 -1.981 1 1 1576 . 17 1 1 A 139 139 LEU CB C 139 38.673 41.953 -3.280 1 1 1580 . 17 1 1 A 139 139 LEU N N 139 127.667 127.473 0.194 1 1 1581 . 17 1 1 A 140 140 LYS H H 140 8.078 8.464 -0.386 1 1 1582 . 17 1 1 A 140 140 LYS HA H 140 4.352 4.811 -0.459 1 1 1591 . 17 1 1 A 140 140 LYS CA C 140 56.826 54.818 2.008 1 1 1592 . 17 1 1 A 140 140 LYS CB C 140 32.657 35.065 -2.408 1 1 1596 . 17 1 1 A 140 140 LYS N N 140 124.108 122.006 2.102 1 1 1597 . 17 1 1 A 141 141 GLY H H 141 9.166 9.077 0.089 1 1 1598 . 17 1 1 A 141 141 GLY HA2 H 141 3.788 4.009 -0.221 1 1 1599 . 17 1 1 A 141 141 GLY HA3 H 141 4.119 4.029 0.090 1 1 1600 . 17 1 1 A 141 141 GLY CA C 141 45.682 45.178 0.504 1 1 1601 . 17 1 1 A 141 141 GLY N N 141 110.698 111.466 -0.768 1 1 1602 . 17 1 1 A 142 142 ILE H H 142 7.112 7.827 -0.715 1 1 1603 . 17 1 1 A 142 142 ILE HA H 142 4.600 4.563 0.037 1 1 1613 . 17 1 1 A 142 142 ILE CA C 142 58.547 60.023 -1.476 1 1 1614 . 17 1 1 A 142 142 ILE CB C 142 40.437 40.340 0.097 1 1 1618 . 17 1 1 A 142 142 ILE N N 142 117.928 122.803 -4.875 1 1 1619 . 17 1 1 A 143 143 SER H H 143 8.381 8.985 -0.604 1 1 1620 . 17 1 1 A 143 143 SER HA H 143 4.613 4.752 -0.139 1 1 1623 . 17 1 1 A 143 143 SER CA C 143 56.654 58.333 -1.679 1 1 1624 . 17 1 1 A 143 143 SER CB C 143 65.051 64.350 0.701 1 1 1625 . 17 1 1 A 143 143 SER N N 143 123.373 125.918 -2.545 1 1 1626 . 17 1 1 A 144 144 VAL H H 144 8.702 8.593 0.109 1 1 1627 . 17 1 1 A 144 144 VAL HA H 144 3.593 3.825 -0.232 1 1 1635 . 17 1 1 A 144 144 VAL CA C 144 65.655 65.160 0.495 1 1 1636 . 17 1 1 A 144 144 VAL CB C 144 31.434 31.752 -0.318 1 1 1639 . 17 1 1 A 144 144 VAL N N 144 120.791 126.465 -5.674 1 1 1640 . 17 1 1 A 145 145 ASP H H 145 8.151 8.164 -0.013 1 1 1641 . 17 1 1 A 145 145 ASP HA H 145 4.435 4.396 0.039 1 1 1644 . 17 1 1 A 145 145 ASP CA C 145 55.211 57.143 -1.932 1 1 1645 . 17 1 1 A 145 145 ASP CB C 145 40.268 40.995 -0.727 1 1 1646 . 17 1 1 A 145 145 ASP N N 145 115.698 120.787 -5.089 1 1 1647 . 17 1 1 A 146 146 GLN H H 146 7.553 7.344 0.209 1 1 1648 . 17 1 1 A 146 146 GLN HA H 146 4.302 4.391 -0.089 1 1 1655 . 17 1 1 A 146 146 GLN CA C 146 55.072 55.260 -0.188 1 1 1656 . 17 1 1 A 146 146 GLN CB C 146 29.990 29.420 0.570 1 1 1658 . 17 1 1 A 146 146 GLN N N 146 117.118 115.580 1.538 1 1 1660 . 17 1 1 A 147 147 LEU H H 147 7.368 7.272 0.096 1 1 1661 . 17 1 1 A 147 147 LEU HA H 147 4.119 4.425 -0.306 1 1 1671 . 17 1 1 A 147 147 LEU CA C 147 54.904 54.421 0.483 1 1 1672 . 17 1 1 A 147 147 LEU CB C 147 40.355 42.777 -2.422 1 1 1676 . 17 1 1 A 147 147 LEU N N 147 121.541 123.596 -2.055 1 1 1677 . 17 1 1 A 148 148 GLY H H 148 8.791 8.704 0.087 1 1 1678 . 17 1 1 A 148 148 GLY HA2 H 148 4.512 3.963 0.549 1 1 1679 . 17 1 1 A 148 148 GLY HA3 H 148 3.997 4.021 -0.024 1 1 1680 . 17 1 1 A 148 148 GLY CA C 148 45.610 47.102 -1.492 1 1 1681 . 17 1 1 A 148 148 GLY N N 148 116.322 113.307 3.015 1 1 1682 . 17 1 1 A 149 149 PHE H H 149 7.790 7.588 0.202 1 1 1683 . 17 1 1 A 149 149 PHE HA H 149 5.215 5.280 -0.065 1 1 1691 . 17 1 1 A 149 149 PHE CA C 149 56.942 56.123 0.819 1 1 1692 . 17 1 1 A 149 149 PHE CB C 149 42.019 42.381 -0.362 1 1 1696 . 17 1 1 A 149 149 PHE N N 149 113.675 113.118 0.557 1 1 1697 . 17 1 1 A 150 150 VAL H H 150 8.549 9.341 -0.792 1 1 1698 . 17 1 1 A 150 150 VAL HA H 150 4.776 4.597 0.179 1 1 1706 . 17 1 1 A 150 150 VAL CA C 150 61.068 61.432 -0.364 1 1 1707 . 17 1 1 A 150 150 VAL CB C 150 34.594 33.099 1.495 1 1 1710 . 17 1 1 A 150 150 VAL N N 150 118.208 120.936 -2.728 1 1 1711 . 17 1 1 A 151 151 ARG H H 151 9.953 9.473 0.480 1 1 1712 . 17 1 1 A 151 151 ARG HA H 151 5.783 5.178 0.605 1 1 1719 . 17 1 1 A 151 151 ARG CA C 151 53.530 54.932 -1.402 1 1 1720 . 17 1 1 A 151 151 ARG CB C 151 33.540 31.832 1.708 1 1 1723 . 17 1 1 A 151 151 ARG N N 151 128.446 128.834 -0.388 1 1 1724 . 17 1 1 A 152 152 ILE H H 152 8.905 8.758 0.147 1 1 1725 . 17 1 1 A 152 152 ILE HA H 152 5.188 5.005 0.183 1 1 1735 . 17 1 1 A 152 152 ILE CA C 152 60.464 60.561 -0.097 1 1 1736 . 17 1 1 A 152 152 ILE CB C 152 39.542 38.895 0.647 1 1 1740 . 17 1 1 A 152 152 ILE N N 152 127.149 128.567 -1.418 1 1 1741 . 17 1 1 A 153 153 HIS H H 153 8.941 8.379 0.562 1 1 1742 . 17 1 1 A 153 153 HIS HA H 153 5.074 4.948 0.126 1 1 1747 . 17 1 1 A 153 153 HIS CA C 153 53.417 54.691 -1.274 1 1 1748 . 17 1 1 A 153 153 HIS CB C 153 31.734 32.110 -0.376 1 1 1751 . 17 1 1 A 153 153 HIS N N 153 119.132 122.592 -3.460 1 1 1752 . 17 1 1 A 154 154 ASP H H 154 9.109 8.826 0.283 1 1 1753 . 17 1 1 A 154 154 ASP HA H 154 4.276 4.071 0.205 1 1 1756 . 17 1 1 A 154 154 ASP CA C 154 55.630 55.035 0.595 1 1 1757 . 17 1 1 A 154 154 ASP CB C 154 39.450 39.105 0.345 1 1 1758 . 17 1 1 A 154 154 ASP N N 154 116.420 116.756 -0.336 1 1 1759 . 17 1 1 A 155 155 ILE H H 155 8.062 8.035 0.027 1 1 1760 . 17 1 1 A 155 155 ILE HA H 155 5.051 4.083 0.968 1 1 1770 . 17 1 1 A 155 155 ILE CA C 155 59.666 61.477 -1.811 1 1 1771 . 17 1 1 A 155 155 ILE CB C 155 35.757 36.893 -1.136 1 1 1775 . 17 1 1 A 155 155 ILE N N 155 119.131 119.573 -0.442 1 1 1776 . 17 1 1 A 156 156 GLN H H 156 9.011 8.632 0.379 1 1 1777 . 17 1 1 A 156 156 GLN HA H 156 4.993 5.105 -0.112 1 1 1784 . 17 1 1 A 156 156 GLN CA C 156 51.975 52.845 -0.870 1 1 1785 . 17 1 1 A 156 156 GLN CB C 156 31.210 31.535 -0.325 1 1 1787 . 17 1 1 A 156 156 GLN N N 156 127.177 124.731 2.446 1 1 1789 . 17 1 1 A 157 157 PRO HA H 157 4.964 4.615 0.349 1 1 1796 . 17 1 1 A 157 157 PRO CA C 157 61.770 62.975 -1.205 1 1 1797 . 17 1 1 A 157 157 PRO CB C 157 31.637 32.185 -0.548 1 1 1800 . 17 1 1 A 158 158 VAL H H 158 7.921 8.048 -0.127 1 1 1801 . 17 1 1 A 158 158 VAL HA H 158 4.107 4.515 -0.408 1 1 1809 . 17 1 1 A 158 158 VAL CA C 158 62.234 60.214 2.020 1 1 1810 . 17 1 1 A 158 158 VAL CB C 158 32.610 32.525 0.085 1 1 1813 . 17 1 1 A 158 158 VAL N N 158 121.642 116.218 5.424 1 1 1814 . 17 1 1 A 159 159 MET H H 159 8.544 8.581 -0.037 1 1 1815 . 17 1 1 A 159 159 MET HA H 159 4.548 4.353 0.195 1 1 1820 . 17 1 1 A 159 159 MET CA C 159 54.731 56.069 -1.338 1 1 1821 . 17 1 1 A 159 159 MET CB C 159 32.547 32.653 -0.106 1 1 1823 . 17 1 1 A 159 159 MET N N 159 124.452 119.068 5.384 1 1 1824 . 17 1 1 A 160 160 GLN H H 160 8.434 8.627 -0.193 1 1 1825 . 17 1 1 A 160 160 GLN HA H 160 4.354 5.087 -0.733 1 1 1832 . 17 1 1 A 160 160 GLN CA C 160 55.399 54.260 1.139 1 1 1833 . 17 1 1 A 160 160 GLN CB C 160 29.112 31.826 -2.714 1 1 1835 . 17 1 1 A 160 160 GLN N N 160 121.917 124.722 -2.805 1 1 1837 . 17 1 1 A 161 161 LEU H H 161 8.325 8.987 -0.662 1 1 1838 . 17 1 1 A 161 161 LEU HA H 161 4.314 5.154 -0.840 1 1 1848 . 17 1 1 A 161 161 LEU CA C 161 55.040 53.682 1.358 1 1 1849 . 17 1 1 A 161 161 LEU CB C 161 42.225 42.568 -0.343 1 1 1853 . 17 1 1 A 161 161 LEU N N 161 123.826 128.429 -4.603 1 1 1854 . 17 1 1 A 162 162 GLU H H 162 8.358 8.823 -0.465 1 1 1855 . 17 1 1 A 162 162 GLU HA H 162 4.216 4.910 -0.694 1 1 1860 . 17 1 1 A 162 162 GLU CA C 162 56.343 54.690 1.653 1 1 1861 . 17 1 1 A 162 162 GLU CB C 162 30.083 33.546 -3.463 1 1 1863 . 17 1 1 A 162 162 GLU N N 162 121.293 125.489 -4.196 1 1 1864 . 17 1 1 A 163 163 HIS H H 163 8.376 8.742 -0.366 1 1 1865 . 17 1 1 A 163 163 HIS HA H 163 4.641 4.567 0.074 1 1 1868 . 17 1 1 A 163 163 HIS CA C 163 55.437 56.914 -1.477 1 1 1869 . 17 1 1 A 163 163 HIS CB C 163 29.412 30.244 -0.832 1 1 1870 . 17 1 1 A 163 163 HIS N N 163 121.307 124.451 -3.144 1 1 1871 . 17 1 1 A 164 164 HIS H H 164 8.289 8.647 -0.358 1 1 1872 . 17 1 1 A 164 164 HIS N N 164 125.228 127.372 -2.144 1 1 1873 . 17 1 1 A 166 166 HIS HA H 166 4.300 4.399 -0.099 1 1 1876 . 17 1 1 A 166 166 HIS CA C 166 55.708 56.039 -0.331 1 1 1877 . 17 1 1 A 166 166 HIS CB C 166 29.207 30.485 -1.278 1 1 1878 . 17 1 1 A 167 167 HIS H H 167 8.591 9.129 -0.538 1 1 1879 . 17 1 1 A 167 167 HIS HA H 167 4.541 4.700 -0.159 1 1 1882 . 17 1 1 A 167 167 HIS CA C 167 54.678 57.169 -2.491 1 1 1883 . 17 1 1 A 167 167 HIS CB C 167 26.256 32.110 -5.854 1 1 1884 . 17 1 1 A 167 167 HIS N N 167 121.317 119.082 2.235 1 1 1 . 18 1 1 A 2 2 VAL HA H 2 3.850 4.665 -0.815 1 1 9 . 18 1 1 A 2 2 VAL CA C 2 61.400 61.730 -0.330 1 1 10 . 18 1 1 A 2 2 VAL CB C 2 32.400 32.821 -0.421 1 1 13 . 18 1 1 A 3 3 GLN HA H 3 4.445 5.102 -0.657 1 1 18 . 18 1 1 A 3 3 GLN CA C 3 55.467 54.101 1.366 1 1 19 . 18 1 1 A 3 3 GLN CB C 3 29.271 32.357 -3.086 1 1 21 . 18 1 1 A 4 4 GLN H H 4 8.703 8.435 0.268 1 1 22 . 18 1 1 A 4 4 GLN HA H 4 4.356 4.653 -0.297 1 1 27 . 18 1 1 A 4 4 GLN CA C 4 55.961 56.031 -0.070 1 1 28 . 18 1 1 A 4 4 GLN CB C 4 29.178 30.120 -0.942 1 1 30 . 18 1 1 A 4 4 GLN N N 4 123.281 125.804 -2.523 1 1 31 . 18 1 1 A 5 5 SER H H 5 8.426 8.720 -0.294 1 1 32 . 18 1 1 A 5 5 SER HA H 5 4.424 5.161 -0.737 1 1 35 . 18 1 1 A 5 5 SER CA C 5 58.498 57.407 1.091 1 1 36 . 18 1 1 A 5 5 SER CB C 5 63.534 66.151 -2.617 1 1 37 . 18 1 1 A 5 5 SER N N 5 116.845 114.457 2.388 1 1 38 . 18 1 1 A 6 6 GLU H H 6 8.434 8.902 -0.468 1 1 39 . 18 1 1 A 6 6 GLU HA H 6 4.342 5.175 -0.833 1 1 44 . 18 1 1 A 6 6 GLU CA C 6 56.410 54.853 1.557 1 1 45 . 18 1 1 A 6 6 GLU CB C 6 29.873 34.026 -4.153 1 1 47 . 18 1 1 A 6 6 GLU N N 6 122.965 119.351 3.614 1 1 48 . 18 1 1 A 7 7 VAL H H 7 8.131 8.514 -0.383 1 1 49 . 18 1 1 A 7 7 VAL HA H 7 4.063 4.778 -0.715 1 1 57 . 18 1 1 A 7 7 VAL CA C 7 62.213 59.960 2.253 1 1 58 . 18 1 1 A 7 7 VAL CB C 7 32.391 35.214 -2.823 1 1 61 . 18 1 1 A 7 7 VAL N N 7 121.508 119.597 1.911 1 1 62 . 18 1 1 A 8 8 ARG H H 8 8.376 8.716 -0.340 1 1 63 . 18 1 1 A 8 8 ARG HA H 8 4.335 4.849 -0.514 1 1 70 . 18 1 1 A 8 8 ARG CA C 8 56.013 55.509 0.504 1 1 71 . 18 1 1 A 8 8 ARG CB C 8 30.528 34.165 -3.637 1 1 74 . 18 1 1 A 8 8 ARG N N 8 124.504 126.733 -2.229 1 1 75 . 18 1 1 A 9 9 GLN H H 9 8.360 8.919 -0.559 1 1 76 . 18 1 1 A 9 9 GLN HA H 9 4.353 4.879 -0.526 1 1 81 . 18 1 1 A 9 9 GLN CA C 9 55.446 54.185 1.261 1 1 82 . 18 1 1 A 9 9 GLN CB C 9 29.236 32.776 -3.540 1 1 84 . 18 1 1 A 9 9 GLN N N 9 121.537 124.831 -3.294 1 1 85 . 18 1 1 A 10 10 MET H H 10 8.391 9.163 -0.772 1 1 86 . 18 1 1 A 10 10 MET HA H 10 4.459 5.297 -0.838 1 1 91 . 18 1 1 A 10 10 MET CA C 10 55.062 53.425 1.637 1 1 92 . 18 1 1 A 10 10 MET CB C 10 32.482 36.069 -3.587 1 1 94 . 18 1 1 A 10 10 MET N N 10 122.199 118.206 3.993 1 1 95 . 18 1 1 A 11 11 LYS H H 11 8.317 8.803 -0.486 1 1 96 . 18 1 1 A 11 11 LYS HA H 11 4.296 5.049 -0.753 1 1 105 . 18 1 1 A 11 11 LYS CA C 11 56.114 54.671 1.443 1 1 106 . 18 1 1 A 11 11 LYS CB C 11 32.372 34.297 -1.925 1 1 110 . 18 1 1 A 11 11 LYS N N 11 122.440 118.533 3.907 1 1 111 . 18 1 1 A 12 12 HIS H H 12 8.489 8.839 -0.350 1 1 112 . 18 1 1 A 12 12 HIS HA H 12 4.748 4.855 -0.107 1 1 116 . 18 1 1 A 12 12 HIS CA C 12 55.052 54.756 0.296 1 1 117 . 18 1 1 A 12 12 HIS CB C 12 29.094 33.613 -4.519 1 1 119 . 18 1 1 A 12 12 HIS N N 12 119.934 122.335 -2.401 1 1 120 . 18 1 1 A 13 13 SER H H 13 8.401 8.996 -0.595 1 1 121 . 18 1 1 A 13 13 SER HA H 13 4.518 5.034 -0.516 1 1 124 . 18 1 1 A 13 13 SER CA C 13 57.855 56.950 0.905 1 1 125 . 18 1 1 A 13 13 SER CB C 13 63.750 64.394 -0.644 1 1 126 . 18 1 1 A 13 13 SER N N 13 117.596 118.566 -0.970 1 1 127 . 18 1 1 A 14 14 VAL H H 14 8.285 8.998 -0.713 1 1 128 . 18 1 1 A 14 14 VAL HA H 14 4.239 4.277 -0.038 1 1 136 . 18 1 1 A 14 14 VAL CA C 14 62.078 62.180 -0.102 1 1 137 . 18 1 1 A 14 14 VAL CB C 14 32.564 32.161 0.403 1 1 140 . 18 1 1 A 14 14 VAL N N 14 121.378 127.000 -5.622 1 1 141 . 18 1 1 A 15 15 SER H H 15 8.419 8.575 -0.156 1 1 142 . 18 1 1 A 15 15 SER HA H 15 4.556 4.832 -0.276 1 1 145 . 18 1 1 A 15 15 SER CA C 15 57.855 57.857 -0.002 1 1 146 . 18 1 1 A 15 15 SER CB C 15 63.600 63.854 -0.254 1 1 147 . 18 1 1 A 15 15 SER N N 15 119.022 122.663 -3.641 1 1 148 . 18 1 1 A 16 16 THR H H 16 8.189 7.413 0.776 1 1 149 . 18 1 1 A 16 16 THR HA H 16 4.362 4.299 0.063 1 1 154 . 18 1 1 A 16 16 THR CA C 16 61.510 62.312 -0.802 1 1 155 . 18 1 1 A 16 16 THR CB C 16 69.292 69.637 -0.345 1 1 157 . 18 1 1 A 16 16 THR N N 16 116.040 113.838 2.202 1 1 158 . 18 1 1 A 17 17 LEU H H 17 8.168 8.638 -0.470 1 1 159 . 18 1 1 A 17 17 LEU HA H 17 4.331 4.865 -0.534 1 1 169 . 18 1 1 A 17 17 LEU CA C 17 55.446 53.934 1.512 1 1 170 . 18 1 1 A 17 17 LEU CB C 17 42.032 43.065 -1.033 1 1 174 . 18 1 1 A 17 17 LEU N N 17 123.796 125.014 -1.218 1 1 175 . 18 1 1 A 18 18 ASN H H 18 8.406 9.103 -0.697 1 1 176 . 18 1 1 A 18 18 ASN HA H 18 4.685 4.888 -0.203 1 1 181 . 18 1 1 A 18 18 ASN CA C 18 53.276 54.368 -1.092 1 1 182 . 18 1 1 A 18 18 ASN CB C 18 38.462 39.595 -1.133 1 1 183 . 18 1 1 A 18 18 ASN N N 18 119.197 121.818 -2.621 1 1 185 . 18 1 1 A 19 19 GLN H H 19 8.346 7.728 0.618 1 1 186 . 18 1 1 A 19 19 GLN HA H 19 4.319 4.824 -0.505 1 1 193 . 18 1 1 A 19 19 GLN CA C 19 56.075 54.303 1.772 1 1 194 . 18 1 1 A 19 19 GLN CB C 19 29.077 33.865 -4.788 1 1 196 . 18 1 1 A 19 19 GLN N N 19 120.620 115.919 4.701 1 1 198 . 18 1 1 A 20 20 GLU H H 20 8.474 8.711 -0.237 1 1 199 . 18 1 1 A 20 20 GLU HA H 20 4.269 4.897 -0.628 1 1 204 . 18 1 1 A 20 20 GLU CA C 20 56.932 55.317 1.615 1 1 205 . 18 1 1 A 20 20 GLU CB C 20 29.694 33.320 -3.626 1 1 207 . 18 1 1 A 20 20 GLU N N 20 121.410 122.882 -1.472 1 1 208 . 18 1 1 A 21 21 MET H H 21 8.366 8.773 -0.407 1 1 209 . 18 1 1 A 21 21 MET HA H 21 4.538 4.949 -0.411 1 1 214 . 18 1 1 A 21 21 MET CA C 21 55.812 53.910 1.902 1 1 215 . 18 1 1 A 21 21 MET CB C 21 32.188 34.143 -1.955 1 1 217 . 18 1 1 A 21 21 MET N N 21 120.618 125.434 -4.816 1 1 218 . 18 1 1 A 22 22 THR H H 22 8.127 8.494 -0.367 1 1 219 . 18 1 1 A 22 22 THR HA H 22 4.299 4.579 -0.280 1 1 224 . 18 1 1 A 22 22 THR CA C 22 62.287 61.025 1.262 1 1 225 . 18 1 1 A 22 22 THR CB C 22 69.174 71.187 -2.013 1 1 227 . 18 1 1 A 22 22 THR N N 22 114.858 111.023 3.835 1 1 228 . 18 1 1 A 23 23 GLN H H 23 8.342 8.455 -0.113 1 1 229 . 18 1 1 A 23 23 GLN HA H 23 4.339 5.003 -0.664 1 1 236 . 18 1 1 A 23 23 GLN CA C 23 56.148 54.183 1.965 1 1 237 . 18 1 1 A 23 23 GLN CB C 23 29.112 31.692 -2.580 1 1 239 . 18 1 1 A 23 23 GLN N N 23 122.047 119.656 2.391 1 1 241 . 18 1 1 A 24 24 LEU H H 24 8.174 8.859 -0.685 1 1 242 . 18 1 1 A 24 24 LEU HA H 24 4.334 5.122 -0.788 1 1 252 . 18 1 1 A 24 24 LEU CA C 24 55.519 53.270 2.249 1 1 253 . 18 1 1 A 24 24 LEU CB C 24 42.146 46.376 -4.230 1 1 257 . 18 1 1 A 24 24 LEU N N 24 122.328 123.646 -1.318 1 1 258 . 18 1 1 A 25 25 ASN H H 25 8.384 8.746 -0.362 1 1 259 . 18 1 1 A 25 25 ASN HA H 25 4.692 4.512 0.180 1 1 264 . 18 1 1 A 25 25 ASN CA C 25 53.481 53.941 -0.460 1 1 265 . 18 1 1 A 25 25 ASN CB C 25 38.445 39.484 -1.039 1 1 266 . 18 1 1 A 25 25 ASN N N 25 119.262 122.730 -3.468 1 1 268 . 18 1 1 A 26 26 GLN H H 26 8.453 8.637 -0.184 1 1 269 . 18 1 1 A 26 26 GLN HA H 26 4.215 3.903 0.312 1 1 276 . 18 1 1 A 26 26 GLN CA C 26 57.037 59.301 -2.264 1 1 277 . 18 1 1 A 26 26 GLN CB C 26 28.996 28.665 0.331 1 1 279 . 18 1 1 A 26 26 GLN N N 26 120.394 125.055 -4.661 1 1 281 . 18 1 1 A 27 27 GLU H H 27 8.501 7.880 0.621 1 1 282 . 18 1 1 A 27 27 GLU HA H 27 4.202 4.081 0.121 1 1 287 . 18 1 1 A 27 27 GLU CA C 27 58.573 59.370 -0.797 1 1 288 . 18 1 1 A 27 27 GLU CB C 27 29.349 29.720 -0.371 1 1 290 . 18 1 1 A 27 27 GLU N N 27 121.130 119.876 1.254 1 1 291 . 18 1 1 A 28 28 THR H H 28 8.032 8.052 -0.020 1 1 292 . 18 1 1 A 28 28 THR HA H 28 4.079 3.947 0.132 1 1 297 . 18 1 1 A 28 28 THR CA C 28 64.762 66.434 -1.672 1 1 298 . 18 1 1 A 28 28 THR CB C 28 68.354 68.183 0.171 1 1 300 . 18 1 1 A 28 28 THR N N 28 114.032 116.937 -2.905 1 1 301 . 18 1 1 A 29 29 VAL H H 29 7.969 8.156 -0.187 1 1 302 . 18 1 1 A 29 29 VAL HA H 29 3.812 3.559 0.253 1 1 310 . 18 1 1 A 29 29 VAL CA C 29 65.572 67.418 -1.846 1 1 311 . 18 1 1 A 29 29 VAL CB C 29 31.624 31.397 0.227 1 1 314 . 18 1 1 A 29 29 VAL N N 29 122.215 121.874 0.341 1 1 315 . 18 1 1 A 30 30 LYS H H 30 7.910 7.699 0.211 1 1 316 . 18 1 1 A 30 30 LYS HA H 30 4.175 3.940 0.235 1 1 325 . 18 1 1 A 30 30 LYS CA C 30 57.780 59.978 -2.198 1 1 326 . 18 1 1 A 30 30 LYS CB C 30 31.537 32.363 -0.826 1 1 330 . 18 1 1 A 30 30 LYS N N 30 119.387 118.872 0.515 1 1 331 . 18 1 1 A 31 31 ILE H H 31 8.277 8.154 0.123 1 1 332 . 18 1 1 A 31 31 ILE HA H 31 3.602 3.611 -0.009 1 1 342 . 18 1 1 A 31 31 ILE CA C 31 65.712 65.842 -0.130 1 1 343 . 18 1 1 A 31 31 ILE CB C 31 38.559 38.212 0.347 1 1 347 . 18 1 1 A 31 31 ILE N N 31 121.053 120.718 0.335 1 1 348 . 18 1 1 A 32 32 THR H H 32 7.896 8.236 -0.340 1 1 349 . 18 1 1 A 32 32 THR HA H 32 4.004 3.842 0.162 1 1 354 . 18 1 1 A 32 32 THR CA C 32 65.922 66.856 -0.934 1 1 355 . 18 1 1 A 32 32 THR CB C 32 68.400 68.447 -0.047 1 1 357 . 18 1 1 A 32 32 THR N N 32 115.554 115.546 0.008 1 1 358 . 18 1 1 A 33 33 GLN H H 33 8.279 8.270 0.009 1 1 359 . 18 1 1 A 33 33 GLN HA H 33 3.887 3.905 -0.018 1 1 366 . 18 1 1 A 33 33 GLN CA C 33 59.052 59.133 -0.081 1 1 367 . 18 1 1 A 33 33 GLN CB C 33 27.889 28.257 -0.368 1 1 369 . 18 1 1 A 33 33 GLN N N 33 120.920 121.868 -0.948 1 1 371 . 18 1 1 A 34 34 GLN H H 34 8.671 8.029 0.642 1 1 372 . 18 1 1 A 34 34 GLN HA H 34 3.615 4.040 -0.425 1 1 379 . 18 1 1 A 34 34 GLN CA C 34 60.424 58.917 1.507 1 1 380 . 18 1 1 A 34 34 GLN CB C 34 30.058 28.331 1.727 1 1 382 . 18 1 1 A 34 34 GLN N N 34 120.388 118.960 1.428 1 1 384 . 18 1 1 A 35 35 ASN H H 35 8.636 8.033 0.603 1 1 385 . 18 1 1 A 35 35 ASN HA H 35 4.595 4.478 0.117 1 1 390 . 18 1 1 A 35 35 ASN CA C 35 55.363 56.221 -0.858 1 1 391 . 18 1 1 A 35 35 ASN CB C 35 36.904 37.678 -0.774 1 1 392 . 18 1 1 A 35 35 ASN N N 35 116.477 118.132 -1.655 1 1 394 . 18 1 1 A 36 36 ARG H H 36 8.321 7.922 0.399 1 1 395 . 18 1 1 A 36 36 ARG HA H 36 4.142 4.116 0.026 1 1 402 . 18 1 1 A 36 36 ARG CA C 36 58.582 59.005 -0.423 1 1 403 . 18 1 1 A 36 36 ARG CB C 36 29.712 29.852 -0.140 1 1 406 . 18 1 1 A 36 36 ARG N N 36 121.347 120.286 1.061 1 1 407 . 18 1 1 A 37 37 LEU H H 37 8.251 8.485 -0.234 1 1 408 . 18 1 1 A 37 37 LEU HA H 37 3.788 3.813 -0.025 1 1 418 . 18 1 1 A 37 37 LEU CA C 37 57.094 57.786 -0.692 1 1 419 . 18 1 1 A 37 37 LEU CB C 37 40.554 40.598 -0.044 1 1 423 . 18 1 1 A 37 37 LEU N N 37 120.862 119.638 1.224 1 1 424 . 18 1 1 A 38 38 ASN H H 38 8.047 8.509 -0.462 1 1 425 . 18 1 1 A 38 38 ASN HA H 38 5.134 4.500 0.634 1 1 430 . 18 1 1 A 38 38 ASN CA C 38 54.413 56.799 -2.386 1 1 431 . 18 1 1 A 38 38 ASN CB C 38 38.069 39.874 -1.805 1 1 432 . 18 1 1 A 38 38 ASN N N 38 115.574 118.440 -2.866 1 1 434 . 18 1 1 A 39 39 ALA H H 39 7.878 7.707 0.171 1 1 435 . 18 1 1 A 39 39 ALA HA H 39 4.342 4.164 0.178 1 1 439 . 18 1 1 A 39 39 ALA CA C 39 53.981 54.930 -0.949 1 1 440 . 18 1 1 A 39 39 ALA CB C 39 18.340 18.298 0.042 1 1 441 . 18 1 1 A 39 39 ALA N N 39 123.076 121.526 1.550 1 1 442 . 18 1 1 A 40 40 LYS H H 40 7.431 7.354 0.077 1 1 443 . 18 1 1 A 40 40 LYS HA H 40 4.528 4.303 0.225 1 1 452 . 18 1 1 A 40 40 LYS CA C 40 55.285 57.486 -2.201 1 1 453 . 18 1 1 A 40 40 LYS CB C 40 32.852 32.754 0.098 1 1 457 . 18 1 1 A 40 40 LYS N N 40 114.889 115.918 -1.029 1 1 458 . 18 1 1 A 41 41 SER H H 41 7.671 7.670 0.001 1 1 459 . 18 1 1 A 41 41 SER HA H 41 4.615 4.362 0.253 1 1 462 . 18 1 1 A 41 41 SER CA C 41 58.189 58.487 -0.298 1 1 463 . 18 1 1 A 41 41 SER CB C 41 63.924 64.004 -0.080 1 1 464 . 18 1 1 A 41 41 SER N N 41 114.795 116.105 -1.310 1 1 465 . 18 1 1 A 42 42 SER H H 42 8.927 9.076 -0.149 1 1 466 . 18 1 1 A 42 42 SER HA H 42 4.792 4.513 0.279 1 1 469 . 18 1 1 A 42 42 SER CA C 42 58.133 59.341 -1.208 1 1 470 . 18 1 1 A 42 42 SER CB C 42 63.712 63.922 -0.210 1 1 471 . 18 1 1 A 42 42 SER N N 42 120.934 122.611 -1.677 1 1 472 . 18 1 1 A 43 43 SER H H 43 8.320 8.092 0.228 1 1 473 . 18 1 1 A 43 43 SER HA H 43 4.654 4.851 -0.197 1 1 476 . 18 1 1 A 43 43 SER CA C 43 57.309 56.990 0.319 1 1 477 . 18 1 1 A 43 43 SER CB C 43 63.151 63.952 -0.801 1 1 478 . 18 1 1 A 43 43 SER N N 43 115.966 116.216 -0.250 1 1 479 . 18 1 1 A 44 44 GLY H H 44 8.182 8.912 -0.730 1 1 480 . 18 1 1 A 44 44 GLY HA2 H 44 4.206 3.971 0.235 1 1 481 . 18 1 1 A 44 44 GLY HA3 H 44 4.399 3.996 0.403 1 1 482 . 18 1 1 A 44 44 GLY CA C 44 44.540 45.983 -1.443 1 1 483 . 18 1 1 A 44 44 GLY N N 44 110.764 115.964 -5.200 1 1 484 . 18 1 1 A 45 45 VAL H H 45 8.341 8.324 0.017 1 1 485 . 18 1 1 A 45 45 VAL HA H 45 4.845 5.111 -0.266 1 1 493 . 18 1 1 A 45 45 VAL CA C 45 58.981 59.498 -0.517 1 1 494 . 18 1 1 A 45 45 VAL CB C 45 35.239 35.892 -0.653 1 1 497 . 18 1 1 A 45 45 VAL N N 45 114.116 118.465 -4.349 1 1 498 . 18 1 1 A 46 46 TYR H H 46 10.501 9.055 1.446 1 1 499 . 18 1 1 A 46 46 TYR HA H 46 5.004 5.201 -0.197 1 1 506 . 18 1 1 A 46 46 TYR CA C 46 58.121 56.652 1.469 1 1 507 . 18 1 1 A 46 46 TYR CB C 46 41.382 38.900 2.482 1 1 510 . 18 1 1 A 46 46 TYR N N 46 123.384 122.383 1.001 1 1 511 . 18 1 1 A 47 47 LEU H H 47 9.364 9.185 0.179 1 1 512 . 18 1 1 A 47 47 LEU HA H 47 4.695 4.883 -0.188 1 1 522 . 18 1 1 A 47 47 LEU CA C 47 52.769 54.309 -1.540 1 1 523 . 18 1 1 A 47 47 LEU CB C 47 44.689 43.022 1.667 1 1 527 . 18 1 1 A 47 47 LEU N N 47 118.822 126.265 -7.443 1 1 528 . 18 1 1 A 48 48 LEU H H 48 9.128 9.123 0.005 1 1 529 . 18 1 1 A 48 48 LEU HA H 48 5.232 4.960 0.272 1 1 539 . 18 1 1 A 48 48 LEU CA C 48 51.100 51.138 -0.038 1 1 540 . 18 1 1 A 48 48 LEU CB C 48 40.141 42.721 -2.580 1 1 544 . 18 1 1 A 48 48 LEU N N 48 123.384 124.931 -1.547 1 1 545 . 18 1 1 A 49 49 PRO HA H 49 4.090 4.297 -0.207 1 1 552 . 18 1 1 A 49 49 PRO CA C 49 64.912 64.774 0.138 1 1 553 . 18 1 1 A 49 49 PRO CB C 49 31.607 31.666 -0.059 1 1 556 . 18 1 1 A 50 50 GLY H H 50 9.181 8.564 0.617 1 1 557 . 18 1 1 A 50 50 GLY HA2 H 50 3.933 3.976 -0.043 1 1 558 . 18 1 1 A 50 50 GLY HA3 H 50 4.757 3.981 0.776 1 1 559 . 18 1 1 A 50 50 GLY CA C 50 45.499 46.606 -1.107 1 1 560 . 18 1 1 A 50 50 GLY N N 50 106.827 107.041 -0.214 1 1 561 . 18 1 1 A 51 51 ALA H H 51 7.857 7.824 0.033 1 1 562 . 18 1 1 A 51 51 ALA HA H 51 4.264 4.490 -0.226 1 1 566 . 18 1 1 A 51 51 ALA CA C 51 53.156 50.601 2.555 1 1 567 . 18 1 1 A 51 51 ALA CB C 51 18.492 21.053 -2.561 1 1 568 . 18 1 1 A 51 51 ALA N N 51 120.192 121.899 -1.707 1 1 569 . 18 1 1 A 52 52 LYS H H 52 7.787 8.919 -1.132 1 1 570 . 18 1 1 A 52 52 LYS HA H 52 4.094 4.424 -0.330 1 1 579 . 18 1 1 A 52 52 LYS CA C 52 56.979 55.697 1.282 1 1 580 . 18 1 1 A 52 52 LYS CB C 52 30.731 30.908 -0.177 1 1 584 . 18 1 1 A 52 52 LYS N N 52 115.260 125.309 -10.049 1 1 585 . 18 1 1 A 53 53 THR H H 53 8.043 8.391 -0.348 1 1 586 . 18 1 1 A 53 53 THR HA H 53 4.924 5.054 -0.130 1 1 591 . 18 1 1 A 53 53 THR CA C 53 59.565 58.361 1.204 1 1 592 . 18 1 1 A 53 53 THR CB C 53 72.729 70.816 1.913 1 1 594 . 18 1 1 A 53 53 THR N N 53 114.085 115.150 -1.065 1 1 595 . 18 1 1 A 54 54 PRO HA H 54 4.860 5.155 -0.295 1 1 602 . 18 1 1 A 54 54 PRO CA C 54 62.176 62.405 -0.229 1 1 603 . 18 1 1 A 54 54 PRO CB C 54 32.820 32.620 0.200 1 1 606 . 18 1 1 A 55 55 ALA H H 55 8.834 8.696 0.138 1 1 607 . 18 1 1 A 55 55 ALA HA H 55 4.824 4.919 -0.095 1 1 611 . 18 1 1 A 55 55 ALA CA C 55 50.500 50.730 -0.230 1 1 612 . 18 1 1 A 55 55 ALA CB C 55 22.858 23.106 -0.248 1 1 613 . 18 1 1 A 55 55 ALA N N 55 122.227 122.374 -0.147 1 1 614 . 18 1 1 A 56 56 ARG H H 56 8.445 8.711 -0.266 1 1 615 . 18 1 1 A 56 56 ARG HA H 56 5.262 4.714 0.548 1 1 623 . 18 1 1 A 56 56 ARG CA C 56 54.401 55.185 -0.784 1 1 624 . 18 1 1 A 56 56 ARG CB C 56 32.849 31.621 1.228 1 1 627 . 18 1 1 A 56 56 ARG N N 56 121.194 121.525 -0.331 1 1 629 . 18 1 1 A 57 57 LEU H H 57 9.159 9.320 -0.161 1 1 630 . 18 1 1 A 57 57 LEU HA H 57 4.672 5.131 -0.459 1 1 640 . 18 1 1 A 57 57 LEU CA C 57 53.028 53.455 -0.427 1 1 641 . 18 1 1 A 57 57 LEU CB C 57 46.231 46.014 0.217 1 1 645 . 18 1 1 A 57 57 LEU N N 57 125.694 128.599 -2.905 1 1 646 . 18 1 1 A 58 58 GLU H H 58 8.890 8.874 0.016 1 1 647 . 18 1 1 A 58 58 GLU HA H 58 4.535 4.647 -0.112 1 1 652 . 18 1 1 A 58 58 GLU CA C 58 55.733 55.634 0.099 1 1 653 . 18 1 1 A 58 58 GLU CB C 58 27.970 30.569 -2.599 1 1 655 . 18 1 1 A 58 58 GLU N N 58 127.677 128.349 -0.672 1 1 656 . 18 1 1 A 59 59 SER H H 59 7.772 8.446 -0.674 1 1 657 . 18 1 1 A 59 59 SER HA H 59 4.970 4.907 0.063 1 1 661 . 18 1 1 A 59 59 SER CA C 59 57.576 56.464 1.112 1 1 662 . 18 1 1 A 59 59 SER CB C 59 69.174 65.258 3.916 1 1 663 . 18 1 1 A 59 59 SER N N 59 121.860 120.952 0.908 1 1 664 . 18 1 1 A 60 60 GLN H H 60 9.336 8.779 0.557 1 1 665 . 18 1 1 A 60 60 GLN HA H 60 4.262 4.350 -0.088 1 1 672 . 18 1 1 A 60 60 GLN CA C 60 57.792 56.785 1.007 1 1 673 . 18 1 1 A 60 60 GLN CB C 60 29.669 28.837 0.832 1 1 675 . 18 1 1 A 60 60 GLN N N 60 119.522 117.430 2.092 1 1 677 . 18 1 1 A 61 61 ILE H H 61 8.007 7.580 0.427 1 1 678 . 18 1 1 A 61 61 ILE HA H 61 4.623 4.415 0.208 1 1 688 . 18 1 1 A 61 61 ILE CA C 61 59.813 60.909 -1.096 1 1 689 . 18 1 1 A 61 61 ILE CB C 61 37.013 39.193 -2.180 1 1 693 . 18 1 1 A 61 61 ILE N N 61 109.398 112.345 -2.947 1 1 694 . 18 1 1 A 62 62 GLY H H 62 7.223 7.063 0.160 1 1 695 . 18 1 1 A 62 62 GLY HA2 H 62 4.493 4.011 0.482 1 1 696 . 18 1 1 A 62 62 GLY HA3 H 62 3.872 4.023 -0.151 1 1 697 . 18 1 1 A 62 62 GLY CA C 62 43.022 45.175 -2.153 1 1 698 . 18 1 1 A 62 62 GLY N N 62 109.035 109.123 -0.088 1 1 699 . 18 1 1 A 63 63 THR H H 63 8.910 8.595 0.315 1 1 700 . 18 1 1 A 63 63 THR HA H 63 4.599 4.336 0.263 1 1 705 . 18 1 1 A 63 63 THR CA C 63 64.037 63.579 0.458 1 1 706 . 18 1 1 A 63 63 THR CB C 63 68.111 69.218 -1.107 1 1 708 . 18 1 1 A 63 63 THR N N 63 119.711 115.942 3.769 1 1 709 . 18 1 1 A 64 64 LEU H H 64 9.070 9.058 0.012 1 1 710 . 18 1 1 A 64 64 LEU HA H 64 5.120 5.183 -0.063 1 1 720 . 18 1 1 A 64 64 LEU CA C 64 52.680 52.989 -0.309 1 1 721 . 18 1 1 A 64 64 LEU CB C 64 44.749 46.058 -1.309 1 1 725 . 18 1 1 A 64 64 LEU N N 64 127.640 123.253 4.387 1 1 726 . 18 1 1 A 65 65 ARG H H 65 9.271 9.142 0.129 1 1 727 . 18 1 1 A 65 65 ARG HA H 65 4.989 5.143 -0.154 1 1 735 . 18 1 1 A 65 65 ARG CA C 65 54.814 54.605 0.209 1 1 736 . 18 1 1 A 65 65 ARG CB C 65 31.836 32.836 -1.000 1 1 739 . 18 1 1 A 65 65 ARG N N 65 122.680 119.820 2.860 1 1 741 . 18 1 1 A 66 66 MET H H 66 9.310 9.080 0.230 1 1 742 . 18 1 1 A 66 66 MET HA H 66 5.822 5.769 0.053 1 1 747 . 18 1 1 A 66 66 MET CA C 66 53.936 54.011 -0.075 1 1 748 . 18 1 1 A 66 66 MET CB C 66 35.912 34.827 1.085 1 1 750 . 18 1 1 A 66 66 MET N N 66 125.309 126.943 -1.634 1 1 751 . 18 1 1 A 67 67 SER H H 67 8.943 8.775 0.168 1 1 752 . 18 1 1 A 67 67 SER HA H 67 4.660 5.081 -0.421 1 1 755 . 18 1 1 A 67 67 SER CA C 67 57.460 57.063 0.397 1 1 756 . 18 1 1 A 67 67 SER CB C 67 65.747 66.198 -0.451 1 1 757 . 18 1 1 A 67 67 SER N N 67 112.115 114.401 -2.286 1 1 758 . 18 1 1 A 68 68 LEU H H 68 8.410 8.904 -0.494 1 1 759 . 18 1 1 A 68 68 LEU HA H 68 5.115 5.062 0.053 1 1 769 . 18 1 1 A 68 68 LEU CA C 68 52.837 53.443 -0.606 1 1 770 . 18 1 1 A 68 68 LEU CB C 68 42.269 42.963 -0.694 1 1 774 . 18 1 1 A 68 68 LEU N N 68 118.367 123.302 -4.935 1 1 775 . 18 1 1 A 69 69 VAL H H 69 9.060 8.500 0.560 1 1 776 . 18 1 1 A 69 69 VAL HA H 69 4.440 4.562 -0.122 1 1 784 . 18 1 1 A 69 69 VAL CA C 69 59.852 59.821 0.031 1 1 785 . 18 1 1 A 69 69 VAL CB C 69 35.349 34.940 0.409 1 1 788 . 18 1 1 A 69 69 VAL N N 69 119.888 118.715 1.173 1 1 789 . 18 1 1 A 70 70 ASN H H 70 8.651 8.779 -0.128 1 1 790 . 18 1 1 A 70 70 ASN HA H 70 4.345 4.214 0.131 1 1 795 . 18 1 1 A 70 70 ASN CA C 70 53.555 54.068 -0.513 1 1 796 . 18 1 1 A 70 70 ASN CB C 70 36.932 36.850 0.082 1 1 797 . 18 1 1 A 70 70 ASN N N 70 119.166 117.982 1.184 1 1 799 . 18 1 1 A 71 71 ILE H H 71 8.449 8.027 0.422 1 1 800 . 18 1 1 A 71 71 ILE HA H 71 4.235 4.068 0.167 1 1 810 . 18 1 1 A 71 71 ILE CA C 71 63.104 61.574 1.530 1 1 811 . 18 1 1 A 71 71 ILE CB C 71 37.200 36.702 0.498 1 1 815 . 18 1 1 A 71 71 ILE N N 71 121.388 119.587 1.801 1 1 816 . 18 1 1 A 72 72 THR H H 72 9.511 8.789 0.722 1 1 817 . 18 1 1 A 72 72 THR HA H 72 4.967 5.005 -0.038 1 1 822 . 18 1 1 A 72 72 THR CA C 72 59.584 58.474 1.110 1 1 823 . 18 1 1 A 72 72 THR CB C 72 71.930 69.798 2.132 1 1 825 . 18 1 1 A 72 72 THR N N 72 125.726 117.413 8.313 1 1 826 . 18 1 1 A 73 73 PRO HA H 73 4.822 4.575 0.247 1 1 833 . 18 1 1 A 73 73 PRO CA C 73 63.362 62.545 0.817 1 1 834 . 18 1 1 A 73 73 PRO CB C 73 32.451 32.856 -0.405 1 1 837 . 18 1 1 A 74 74 ASP H H 74 8.404 8.749 -0.345 1 1 838 . 18 1 1 A 74 74 ASP HA H 74 4.824 4.998 -0.174 1 1 841 . 18 1 1 A 74 74 ASP CA C 74 52.609 52.525 0.084 1 1 842 . 18 1 1 A 74 74 ASP CB C 74 43.743 44.276 -0.533 1 1 843 . 18 1 1 A 74 74 ASP N N 74 122.325 120.542 1.783 1 1 844 . 18 1 1 A 75 75 ALA H H 75 8.539 8.783 -0.244 1 1 845 . 18 1 1 A 75 75 ALA HA H 75 4.062 4.030 0.032 1 1 849 . 18 1 1 A 75 75 ALA CA C 75 54.431 55.138 -0.707 1 1 850 . 18 1 1 A 75 75 ALA CB C 75 18.117 18.430 -0.313 1 1 851 . 18 1 1 A 75 75 ALA N N 75 123.501 126.470 -2.969 1 1 852 . 18 1 1 A 76 76 ASP H H 76 8.356 8.222 0.134 1 1 853 . 18 1 1 A 76 76 ASP HA H 76 4.815 4.888 -0.073 1 1 856 . 18 1 1 A 76 76 ASP CA C 76 53.161 55.443 -2.282 1 1 857 . 18 1 1 A 76 76 ASP CB C 76 41.234 42.765 -1.531 1 1 858 . 18 1 1 A 76 76 ASP N N 76 115.326 117.660 -2.334 1 1 859 . 18 1 1 A 77 77 GLY H H 77 7.569 7.564 0.005 1 1 860 . 18 1 1 A 77 77 GLY HA2 H 77 3.925 4.083 -0.158 1 1 861 . 18 1 1 A 77 77 GLY HA3 H 77 4.508 4.090 0.418 1 1 862 . 18 1 1 A 77 77 GLY CA C 77 46.675 45.551 1.124 1 1 863 . 18 1 1 A 77 77 GLY N N 77 109.452 106.359 3.093 1 1 864 . 18 1 1 A 78 78 THR H H 78 8.272 8.387 -0.115 1 1 865 . 18 1 1 A 78 78 THR HA H 78 4.655 5.006 -0.351 1 1 870 . 18 1 1 A 78 78 THR CA C 78 63.204 61.128 2.076 1 1 871 . 18 1 1 A 78 78 THR CB C 78 72.222 71.969 0.253 1 1 873 . 18 1 1 A 78 78 THR N N 78 122.442 115.043 7.399 1 1 874 . 18 1 1 A 79 79 THR H H 79 9.027 9.087 -0.060 1 1 875 . 18 1 1 A 79 79 THR HA H 79 5.164 5.699 -0.535 1 1 880 . 18 1 1 A 79 79 THR CA C 79 60.303 60.534 -0.231 1 1 881 . 18 1 1 A 79 79 THR CB C 79 70.442 70.275 0.167 1 1 883 . 18 1 1 A 79 79 THR N N 79 121.451 118.824 2.627 1 1 884 . 18 1 1 A 80 80 LEU H H 80 8.698 8.814 -0.116 1 1 885 . 18 1 1 A 80 80 LEU HA H 80 4.835 5.205 -0.370 1 1 895 . 18 1 1 A 80 80 LEU CA C 80 54.194 53.106 1.088 1 1 896 . 18 1 1 A 80 80 LEU CB C 80 44.576 46.131 -1.555 1 1 900 . 18 1 1 A 80 80 LEU N N 80 119.374 123.855 -4.481 1 1 901 . 18 1 1 A 81 81 THR H H 81 8.675 8.745 -0.070 1 1 902 . 18 1 1 A 81 81 THR HA H 81 4.740 5.024 -0.284 1 1 907 . 18 1 1 A 81 81 THR CA C 81 61.838 62.233 -0.395 1 1 908 . 18 1 1 A 81 81 THR CB C 81 70.190 69.565 0.625 1 1 910 . 18 1 1 A 81 81 THR N N 81 116.982 117.318 -0.336 1 1 911 . 18 1 1 A 82 82 LEU H H 82 8.898 9.044 -0.146 1 1 912 . 18 1 1 A 82 82 LEU HA H 82 4.748 4.871 -0.123 1 1 922 . 18 1 1 A 82 82 LEU CA C 82 53.076 54.084 -1.008 1 1 923 . 18 1 1 A 82 82 LEU CB C 82 43.189 43.342 -0.153 1 1 927 . 18 1 1 A 82 82 LEU N N 82 130.905 130.032 0.873 1 1 928 . 18 1 1 A 83 83 ARG H H 83 9.162 8.964 0.198 1 1 929 . 18 1 1 A 83 83 ARG HA H 83 5.174 4.760 0.414 1 1 936 . 18 1 1 A 83 83 ARG CA C 83 54.441 55.305 -0.864 1 1 937 . 18 1 1 A 83 83 ARG CB C 83 31.332 31.649 -0.317 1 1 940 . 18 1 1 A 83 83 ARG N N 83 131.064 126.466 4.598 1 1 941 . 18 1 1 A 84 84 ILE H H 84 9.474 9.539 -0.065 1 1 942 . 18 1 1 A 84 84 ILE HA H 84 4.611 4.631 -0.020 1 1 952 . 18 1 1 A 84 84 ILE CA C 84 60.486 60.516 -0.030 1 1 953 . 18 1 1 A 84 84 ILE CB C 84 40.120 39.297 0.823 1 1 957 . 18 1 1 A 84 84 ILE N N 84 128.394 124.951 3.443 1 1 958 . 18 1 1 A 85 85 GLN H H 85 9.137 9.265 -0.128 1 1 959 . 18 1 1 A 85 85 GLN HA H 85 5.457 4.854 0.603 1 1 966 . 18 1 1 A 85 85 GLN CA C 85 53.109 54.365 -1.256 1 1 967 . 18 1 1 A 85 85 GLN CB C 85 32.450 30.028 2.422 1 1 969 . 18 1 1 A 85 85 GLN N N 85 124.857 128.381 -3.524 1 1 971 . 18 1 1 A 86 86 GLY H H 86 9.090 8.909 0.181 1 1 972 . 18 1 1 A 86 86 GLY HA2 H 86 3.813 3.987 -0.174 1 1 973 . 18 1 1 A 86 86 GLY HA3 H 86 4.499 4.003 0.496 1 1 974 . 18 1 1 A 86 86 GLY CA C 86 44.877 45.695 -0.818 1 1 975 . 18 1 1 A 86 86 GLY N N 86 110.702 114.174 -3.472 1 1 976 . 18 1 1 A 87 87 GLU H H 87 8.128 8.541 -0.413 1 1 977 . 18 1 1 A 87 87 GLU HA H 87 4.472 4.378 0.094 1 1 982 . 18 1 1 A 87 87 GLU CA C 87 56.057 55.459 0.598 1 1 983 . 18 1 1 A 87 87 GLU CB C 87 29.943 28.015 1.928 1 1 985 . 18 1 1 A 87 87 GLU N N 87 120.445 124.545 -4.100 1 1 986 . 18 1 1 A 88 88 SER H H 88 8.063 7.936 0.127 1 1 987 . 18 1 1 A 88 88 SER HA H 88 4.469 4.648 -0.179 1 1 990 . 18 1 1 A 88 88 SER CA C 88 57.472 57.283 0.189 1 1 991 . 18 1 1 A 88 88 SER CB C 88 63.799 64.923 -1.124 1 1 992 . 18 1 1 A 88 88 SER N N 88 113.821 115.147 -1.326 1 1 993 . 18 1 1 A 89 89 ASN H H 89 8.502 8.626 -0.124 1 1 994 . 18 1 1 A 89 89 ASN HA H 89 4.533 4.953 -0.420 1 1 999 . 18 1 1 A 89 89 ASN CA C 89 53.715 52.251 1.464 1 1 1000 . 18 1 1 A 89 89 ASN CB C 89 38.212 38.684 -0.472 1 1 1001 . 18 1 1 A 89 89 ASN N N 89 119.482 117.786 1.696 1 1 1003 . 18 1 1 A 90 90 ASP H H 90 8.104 7.369 0.735 1 1 1004 . 18 1 1 A 90 90 ASP HA H 90 5.061 4.780 0.281 1 1 1007 . 18 1 1 A 90 90 ASP CA C 90 51.392 52.141 -0.749 1 1 1008 . 18 1 1 A 90 90 ASP CB C 90 41.223 40.820 0.403 1 1 1009 . 18 1 1 A 90 90 ASP N N 90 119.891 121.596 -1.705 1 1 1010 . 18 1 1 A 91 91 PRO HA H 91 4.156 4.816 -0.660 1 1 1017 . 18 1 1 A 91 91 PRO CA C 91 62.200 62.395 -0.195 1 1 1018 . 18 1 1 A 91 91 PRO CB C 91 30.844 30.382 0.462 1 1 1021 . 18 1 1 A 92 92 LEU H H 92 8.206 8.408 -0.202 1 1 1022 . 18 1 1 A 92 92 LEU HA H 92 4.504 4.537 -0.033 1 1 1032 . 18 1 1 A 92 92 LEU CA C 92 52.697 53.491 -0.794 1 1 1033 . 18 1 1 A 92 92 LEU CB C 92 41.249 41.615 -0.366 1 1 1037 . 18 1 1 A 92 92 LEU N N 92 123.954 124.531 -0.577 1 1 1038 . 18 1 1 A 93 93 PRO HA H 93 4.808 4.629 0.179 1 1 1045 . 18 1 1 A 93 93 PRO CA C 93 61.122 62.325 -1.203 1 1 1046 . 18 1 1 A 93 93 PRO CB C 93 32.289 32.523 -0.234 1 1 1049 . 18 1 1 A 94 94 ALA H H 94 8.420 8.364 0.056 1 1 1050 . 18 1 1 A 94 94 ALA HA H 94 4.164 4.274 -0.110 1 1 1054 . 18 1 1 A 94 94 ALA CA C 94 52.655 53.234 -0.579 1 1 1055 . 18 1 1 A 94 94 ALA CB C 94 18.563 19.130 -0.567 1 1 1056 . 18 1 1 A 94 94 ALA N N 94 120.368 124.165 -3.797 1 1 1057 . 18 1 1 A 95 95 PHE H H 95 7.961 7.760 0.201 1 1 1058 . 18 1 1 A 95 95 PHE HA H 95 5.489 5.492 -0.003 1 1 1066 . 18 1 1 A 95 95 PHE CA C 95 56.213 55.362 0.851 1 1 1067 . 18 1 1 A 95 95 PHE CB C 95 41.552 42.416 -0.864 1 1 1071 . 18 1 1 A 95 95 PHE N N 95 115.209 116.990 -1.781 1 1 1072 . 18 1 1 A 96 96 SER H H 96 9.231 9.188 0.043 1 1 1073 . 18 1 1 A 96 96 SER HA H 96 5.427 5.482 -0.055 1 1 1076 . 18 1 1 A 96 96 SER CA C 96 55.549 57.293 -1.744 1 1 1077 . 18 1 1 A 96 96 SER CB C 96 66.681 66.413 0.268 1 1 1078 . 18 1 1 A 96 96 SER N N 96 114.106 113.530 0.576 1 1 1079 . 18 1 1 A 97 97 GLY H H 97 8.269 8.192 0.077 1 1 1080 . 18 1 1 A 97 97 GLY HA2 H 97 4.612 4.227 0.385 1 1 1081 . 18 1 1 A 97 97 GLY HA3 H 97 3.571 4.245 -0.674 1 1 1082 . 18 1 1 A 97 97 GLY CA C 97 45.139 45.889 -0.750 1 1 1083 . 18 1 1 A 97 97 GLY N N 97 104.730 107.586 -2.856 1 1 1084 . 18 1 1 A 98 98 THR H H 98 8.068 8.415 -0.347 1 1 1085 . 18 1 1 A 98 98 THR HA H 98 4.836 5.047 -0.211 1 1 1090 . 18 1 1 A 98 98 THR CA C 98 62.462 61.351 1.111 1 1 1091 . 18 1 1 A 98 98 THR CB C 98 70.240 70.025 0.215 1 1 1093 . 18 1 1 A 98 98 THR N N 98 115.596 115.938 -0.342 1 1 1094 . 18 1 1 A 99 99 VAL H H 99 9.016 9.378 -0.362 1 1 1095 . 18 1 1 A 99 99 VAL HA H 99 5.040 5.138 -0.098 1 1 1103 . 18 1 1 A 99 99 VAL CA C 99 59.695 59.387 0.308 1 1 1104 . 18 1 1 A 99 99 VAL CB C 99 33.810 34.230 -0.420 1 1 1107 . 18 1 1 A 99 99 VAL N N 99 124.571 128.065 -3.494 1 1 1108 . 18 1 1 A 100 100 GLU H H 100 9.595 9.409 0.186 1 1 1109 . 18 1 1 A 100 100 GLU HA H 100 5.463 5.099 0.364 1 1 1114 . 18 1 1 A 100 100 GLU CA C 100 53.132 55.364 -2.232 1 1 1115 . 18 1 1 A 100 100 GLU CB C 100 31.806 30.764 1.042 1 1 1117 . 18 1 1 A 100 100 GLU N N 100 125.607 127.507 -1.900 1 1 1118 . 18 1 1 A 101 101 TYR H H 101 8.576 8.544 0.032 1 1 1119 . 18 1 1 A 101 101 TYR HA H 101 4.568 5.552 -0.984 1 1 1126 . 18 1 1 A 101 101 TYR CA C 101 54.809 54.927 -0.118 1 1 1127 . 18 1 1 A 101 101 TYR CB C 101 39.516 41.327 -1.811 1 1 1130 . 18 1 1 A 101 101 TYR N N 101 117.224 123.063 -5.839 1 1 1131 . 18 1 1 A 102 102 GLY H H 102 6.489 7.431 -0.942 1 1 1132 . 18 1 1 A 102 102 GLY HA2 H 102 3.948 4.162 -0.214 1 1 1133 . 18 1 1 A 102 102 GLY HA3 H 102 4.190 4.208 -0.018 1 1 1134 . 18 1 1 A 102 102 GLY CA C 102 46.509 45.858 0.651 1 1 1135 . 18 1 1 A 102 102 GLY N N 102 103.890 106.386 -2.496 1 1 1136 . 18 1 1 A 103 103 GLN H H 103 8.789 8.918 -0.129 1 1 1137 . 18 1 1 A 103 103 GLN HA H 103 4.893 5.162 -0.269 1 1 1144 . 18 1 1 A 103 103 GLN CA C 103 54.742 54.382 0.360 1 1 1145 . 18 1 1 A 103 103 GLN CB C 103 31.972 32.662 -0.690 1 1 1147 . 18 1 1 A 103 103 GLN N N 103 121.055 120.690 0.365 1 1 1149 . 18 1 1 A 104 104 ILE H H 104 8.877 9.025 -0.148 1 1 1150 . 18 1 1 A 104 104 ILE HA H 104 5.033 4.774 0.259 1 1 1160 . 18 1 1 A 104 104 ILE CA C 104 59.495 60.247 -0.752 1 1 1161 . 18 1 1 A 104 104 ILE CB C 104 40.485 38.456 2.029 1 1 1165 . 18 1 1 A 104 104 ILE N N 104 119.483 124.315 -4.832 1 1 1166 . 18 1 1 A 105 105 GLN H H 105 8.807 8.819 -0.012 1 1 1167 . 18 1 1 A 105 105 GLN HA H 105 4.785 5.205 -0.420 1 1 1174 . 18 1 1 A 105 105 GLN CA C 105 53.586 54.807 -1.221 1 1 1175 . 18 1 1 A 105 105 GLN CB C 105 32.029 29.939 2.090 1 1 1177 . 18 1 1 A 105 105 GLN N N 105 126.014 125.797 0.217 1 1 1179 . 18 1 1 A 106 106 GLY H H 106 8.680 8.344 0.336 1 1 1180 . 18 1 1 A 106 106 GLY HA2 H 106 4.878 4.197 0.681 1 1 1181 . 18 1 1 A 106 106 GLY HA3 H 106 3.898 4.237 -0.339 1 1 1182 . 18 1 1 A 106 106 GLY CA C 106 43.994 45.327 -1.333 1 1 1183 . 18 1 1 A 106 106 GLY N N 106 111.899 108.710 3.189 1 1 1184 . 18 1 1 A 107 107 THR H H 107 7.984 8.593 -0.609 1 1 1185 . 18 1 1 A 107 107 THR HA H 107 4.571 4.789 -0.218 1 1 1190 . 18 1 1 A 107 107 THR CA C 107 59.611 60.284 -0.673 1 1 1191 . 18 1 1 A 107 107 THR CB C 107 71.146 70.464 0.682 1 1 1193 . 18 1 1 A 107 107 THR N N 107 111.498 110.529 0.969 1 1 1194 . 18 1 1 A 108 108 ILE H H 108 8.345 8.812 -0.467 1 1 1195 . 18 1 1 A 108 108 ILE HA H 108 3.775 3.820 -0.045 1 1 1205 . 18 1 1 A 108 108 ILE CA C 108 62.916 63.816 -0.900 1 1 1206 . 18 1 1 A 108 108 ILE CB C 108 37.737 37.399 0.338 1 1 1210 . 18 1 1 A 108 108 ILE N N 108 117.576 121.208 -3.632 1 1 1211 . 18 1 1 A 109 109 ASP H H 109 7.753 8.061 -0.308 1 1 1212 . 18 1 1 A 109 109 ASP HA H 109 4.564 4.942 -0.378 1 1 1215 . 18 1 1 A 109 109 ASP CA C 109 54.540 55.500 -0.960 1 1 1216 . 18 1 1 A 109 109 ASP CB C 109 41.360 42.817 -1.457 1 1 1217 . 18 1 1 A 109 109 ASP N N 109 116.045 121.024 -4.979 1 1 1218 . 18 1 1 A 110 110 ASN H H 110 7.719 8.034 -0.315 1 1 1219 . 18 1 1 A 110 110 ASN HA H 110 4.723 4.970 -0.247 1 1 1224 . 18 1 1 A 110 110 ASN CA C 110 53.036 51.926 1.110 1 1 1225 . 18 1 1 A 110 110 ASN CB C 110 38.443 39.290 -0.847 1 1 1226 . 18 1 1 A 110 110 ASN N N 110 119.075 114.291 4.784 1 1 1228 . 18 1 1 A 111 111 PHE H H 111 7.977 8.418 -0.441 1 1 1229 . 18 1 1 A 111 111 PHE HA H 111 5.249 5.720 -0.471 1 1 1237 . 18 1 1 A 111 111 PHE CA C 111 56.627 54.959 1.668 1 1 1238 . 18 1 1 A 111 111 PHE CB C 111 40.215 42.798 -2.583 1 1 1242 . 18 1 1 A 111 111 PHE N N 111 122.138 119.749 2.389 1 1 1243 . 18 1 1 A 112 112 GLN H H 112 8.715 8.627 0.088 1 1 1244 . 18 1 1 A 112 112 GLN HA H 112 4.540 4.830 -0.290 1 1 1251 . 18 1 1 A 112 112 GLN CA C 112 54.035 54.219 -0.184 1 1 1252 . 18 1 1 A 112 112 GLN CB C 112 31.861 32.029 -0.168 1 1 1254 . 18 1 1 A 112 112 GLN N N 112 119.575 119.304 0.271 1 1 1256 . 18 1 1 A 113 113 GLU H H 113 8.546 8.754 -0.208 1 1 1257 . 18 1 1 A 113 113 GLU HA H 113 4.780 4.702 0.078 1 1 1262 . 18 1 1 A 113 113 GLU CA C 113 55.412 56.325 -0.913 1 1 1263 . 18 1 1 A 113 113 GLU CB C 113 29.886 30.458 -0.572 1 1 1265 . 18 1 1 A 113 113 GLU N N 113 122.846 122.607 0.239 1 1 1266 . 18 1 1 A 114 114 ILE H H 114 8.913 8.654 0.259 1 1 1267 . 18 1 1 A 114 114 ILE HA H 114 4.662 4.698 -0.036 1 1 1277 . 18 1 1 A 114 114 ILE CA C 114 59.144 59.166 -0.022 1 1 1278 . 18 1 1 A 114 114 ILE CB C 114 41.873 41.174 0.699 1 1 1282 . 18 1 1 A 114 114 ILE N N 114 120.222 119.582 0.640 1 1 1283 . 18 1 1 A 115 115 ASN H H 115 8.916 8.771 0.145 1 1 1284 . 18 1 1 A 115 115 ASN HA H 115 4.340 4.227 0.113 1 1 1289 . 18 1 1 A 115 115 ASN CA C 115 53.444 54.180 -0.736 1 1 1290 . 18 1 1 A 115 115 ASN CB C 115 36.467 37.238 -0.771 1 1 1291 . 18 1 1 A 115 115 ASN N N 115 120.916 118.798 2.118 1 1 1293 . 18 1 1 A 116 116 VAL H H 116 8.044 7.871 0.173 1 1 1294 . 18 1 1 A 116 116 VAL HA H 116 4.389 4.498 -0.109 1 1 1302 . 18 1 1 A 116 116 VAL CA C 116 63.183 61.710 1.473 1 1 1303 . 18 1 1 A 116 116 VAL CB C 116 32.216 32.881 -0.665 1 1 1306 . 18 1 1 A 116 116 VAL N N 116 117.046 118.856 -1.810 1 1 1307 . 18 1 1 A 117 117 GLN H H 117 8.582 8.811 -0.229 1 1 1308 . 18 1 1 A 117 117 GLN HA H 117 4.550 4.833 -0.283 1 1 1315 . 18 1 1 A 117 117 GLN CA C 117 53.827 54.158 -0.331 1 1 1316 . 18 1 1 A 117 117 GLN CB C 117 33.119 31.632 1.487 1 1 1318 . 18 1 1 A 117 117 GLN N N 117 127.086 126.654 0.432 1 1 1320 . 18 1 1 A 118 118 ASN H H 118 8.330 8.695 -0.365 1 1 1321 . 18 1 1 A 118 118 ASN HA H 118 5.845 5.925 -0.080 1 1 1326 . 18 1 1 A 118 118 ASN CA C 118 51.736 51.438 0.298 1 1 1327 . 18 1 1 A 118 118 ASN CB C 118 42.644 40.866 1.778 1 1 1328 . 18 1 1 A 118 118 ASN N N 118 113.251 117.940 -4.689 1 1 1330 . 18 1 1 A 119 119 GLN H H 119 9.187 9.193 -0.006 1 1 1331 . 18 1 1 A 119 119 GLN HA H 119 4.693 5.068 -0.375 1 1 1338 . 18 1 1 A 119 119 GLN CA C 119 55.160 54.234 0.926 1 1 1339 . 18 1 1 A 119 119 GLN CB C 119 34.157 32.721 1.436 1 1 1341 . 18 1 1 A 119 119 GLN N N 119 116.799 122.826 -6.027 1 1 1343 . 18 1 1 A 120 120 LEU H H 120 8.544 9.048 -0.504 1 1 1344 . 18 1 1 A 120 120 LEU HA H 120 5.059 5.058 0.001 1 1 1354 . 18 1 1 A 120 120 LEU CA C 120 54.327 53.467 0.860 1 1 1355 . 18 1 1 A 120 120 LEU CB C 120 42.839 42.639 0.200 1 1 1359 . 18 1 1 A 120 120 LEU N N 120 123.292 125.784 -2.492 1 1 1360 . 18 1 1 A 121 121 ILE H H 121 8.657 8.928 -0.271 1 1 1361 . 18 1 1 A 121 121 ILE HA H 121 4.778 4.765 0.013 1 1 1371 . 18 1 1 A 121 121 ILE CA C 121 58.770 60.068 -1.298 1 1 1372 . 18 1 1 A 121 121 ILE CB C 121 41.582 39.044 2.538 1 1 1376 . 18 1 1 A 121 121 ILE N N 121 116.046 122.532 -6.486 1 1 1377 . 18 1 1 A 122 122 ASN H H 122 8.329 9.080 -0.751 1 1 1378 . 18 1 1 A 122 122 ASN HA H 122 5.068 5.227 -0.159 1 1 1383 . 18 1 1 A 122 122 ASN CA C 122 52.654 52.376 0.278 1 1 1384 . 18 1 1 A 122 122 ASN CB C 122 42.112 40.456 1.656 1 1 1385 . 18 1 1 A 122 122 ASN N N 122 118.416 126.297 -7.881 1 1 1387 . 18 1 1 A 123 123 ALA H H 123 8.547 8.403 0.144 1 1 1388 . 18 1 1 A 123 123 ALA HA H 123 4.597 4.624 -0.027 1 1 1392 . 18 1 1 A 123 123 ALA CA C 123 48.537 49.207 -0.670 1 1 1393 . 18 1 1 A 123 123 ALA CB C 123 19.998 21.527 -1.529 1 1 1394 . 18 1 1 A 123 123 ALA N N 123 124.108 124.590 -0.482 1 1 1395 . 18 1 1 A 124 124 PRO HA H 124 4.537 4.512 0.025 1 1 1402 . 18 1 1 A 124 124 PRO CA C 124 60.979 62.400 -1.421 1 1 1403 . 18 1 1 A 124 124 PRO CB C 124 32.285 32.462 -0.177 1 1 1406 . 18 1 1 A 125 125 ALA H H 125 8.587 8.229 0.358 1 1 1407 . 18 1 1 A 125 125 ALA HA H 125 3.899 4.914 -1.015 1 1 1411 . 18 1 1 A 125 125 ALA CA C 125 52.692 50.727 1.965 1 1 1412 . 18 1 1 A 125 125 ALA CB C 125 18.631 21.381 -2.750 1 1 1413 . 18 1 1 A 125 125 ALA N N 125 121.333 122.982 -1.649 1 1 1414 . 18 1 1 A 126 126 SER H H 126 8.227 9.369 -1.142 1 1 1415 . 18 1 1 A 126 126 SER HA H 126 4.616 4.439 0.177 1 1 1418 . 18 1 1 A 126 126 SER CA C 126 59.168 58.537 0.631 1 1 1419 . 18 1 1 A 126 126 SER CB C 126 64.636 63.129 1.507 1 1 1420 . 18 1 1 A 126 126 SER N N 126 118.947 118.312 0.635 1 1 1421 . 18 1 1 A 127 127 VAL H H 127 8.595 8.572 0.023 1 1 1422 . 18 1 1 A 127 127 VAL HA H 127 4.276 4.167 0.109 1 1 1430 . 18 1 1 A 127 127 VAL CA C 127 62.194 63.503 -1.309 1 1 1431 . 18 1 1 A 127 127 VAL CB C 127 32.852 32.208 0.644 1 1 1434 . 18 1 1 A 127 127 VAL N N 127 117.209 122.359 -5.150 1 1 1435 . 18 1 1 A 128 128 LEU H H 128 7.844 7.660 0.184 1 1 1436 . 18 1 1 A 128 128 LEU HA H 128 4.588 4.912 -0.324 1 1 1446 . 18 1 1 A 128 128 LEU CA C 128 53.639 53.234 0.405 1 1 1447 . 18 1 1 A 128 128 LEU CB C 128 44.574 45.381 -0.807 1 1 1451 . 18 1 1 A 128 128 LEU N N 128 121.103 118.260 2.843 1 1 1452 . 18 1 1 A 129 129 ALA H H 129 8.377 8.617 -0.240 1 1 1453 . 18 1 1 A 129 129 ALA HA H 129 4.538 5.006 -0.468 1 1 1457 . 18 1 1 A 129 129 ALA CA C 129 53.476 49.803 3.673 1 1 1458 . 18 1 1 A 129 129 ALA CB C 129 20.982 20.687 0.295 1 1 1459 . 18 1 1 A 129 129 ALA N N 129 123.679 121.754 1.925 1 1 1460 . 18 1 1 A 130 130 PRO HA H 130 4.669 4.651 0.018 1 1 1467 . 18 1 1 A 130 130 PRO CA C 130 62.314 62.449 -0.135 1 1 1468 . 18 1 1 A 130 130 PRO CB C 130 33.473 32.681 0.792 1 1 1471 . 18 1 1 A 131 131 SER H H 131 9.365 8.531 0.834 1 1 1472 . 18 1 1 A 131 131 SER HA H 131 4.520 4.709 -0.189 1 1 1475 . 18 1 1 A 131 131 SER CA C 131 59.385 57.551 1.834 1 1 1476 . 18 1 1 A 131 131 SER CB C 131 63.866 62.547 1.319 1 1 1477 . 18 1 1 A 131 131 SER N N 131 122.226 116.298 5.928 1 1 1478 . 18 1 1 A 132 132 ASP H H 132 8.608 8.527 0.081 1 1 1479 . 18 1 1 A 132 132 ASP HA H 132 5.260 5.539 -0.279 1 1 1482 . 18 1 1 A 132 132 ASP CA C 132 53.345 52.536 0.809 1 1 1483 . 18 1 1 A 132 132 ASP CB C 132 41.791 42.977 -1.186 1 1 1484 . 18 1 1 A 132 132 ASP N N 132 124.814 125.109 -0.295 1 1 1485 . 18 1 1 A 133 133 VAL H H 133 9.405 9.075 0.330 1 1 1486 . 18 1 1 A 133 133 VAL HA H 133 4.226 4.718 -0.492 1 1 1494 . 18 1 1 A 133 133 VAL CA C 133 61.669 61.573 0.096 1 1 1495 . 18 1 1 A 133 133 VAL CB C 133 34.448 34.717 -0.269 1 1 1498 . 18 1 1 A 133 133 VAL N N 133 127.192 124.256 2.936 1 1 1499 . 18 1 1 A 134 134 ASP H H 134 8.468 8.954 -0.486 1 1 1500 . 18 1 1 A 134 134 ASP HA H 134 5.368 5.786 -0.418 1 1 1503 . 18 1 1 A 134 134 ASP CA C 134 52.326 52.327 -0.001 1 1 1504 . 18 1 1 A 134 134 ASP CB C 134 41.245 43.422 -2.177 1 1 1505 . 18 1 1 A 134 134 ASP N N 134 127.161 127.043 0.118 1 1 1506 . 18 1 1 A 135 135 ILE H H 135 9.406 8.892 0.514 1 1 1507 . 18 1 1 A 135 135 ILE HA H 135 4.636 4.863 -0.227 1 1 1517 . 18 1 1 A 135 135 ILE CA C 135 57.478 56.877 0.601 1 1 1518 . 18 1 1 A 135 135 ILE CB C 135 39.411 40.635 -1.224 1 1 1522 . 18 1 1 A 135 135 ILE N N 135 125.603 117.931 7.672 1 1 1523 . 18 1 1 A 136 136 PRO HA H 136 4.844 4.806 0.038 1 1 1530 . 18 1 1 A 136 136 PRO CA C 136 62.314 62.209 0.105 1 1 1531 . 18 1 1 A 136 136 PRO CB C 136 31.563 31.751 -0.188 1 1 1534 . 18 1 1 A 137 137 LEU H H 137 9.196 8.952 0.244 1 1 1535 . 18 1 1 A 137 137 LEU HA H 137 4.739 4.727 0.012 1 1 1545 . 18 1 1 A 137 137 LEU CA C 137 53.609 53.860 -0.251 1 1 1546 . 18 1 1 A 137 137 LEU CB C 137 45.473 43.786 1.687 1 1 1550 . 18 1 1 A 137 137 LEU N N 137 124.087 124.244 -0.157 1 1 1551 . 18 1 1 A 138 138 GLN H H 138 8.928 8.784 0.144 1 1 1552 . 18 1 1 A 138 138 GLN HA H 138 4.581 4.763 -0.182 1 1 1559 . 18 1 1 A 138 138 GLN CA C 138 54.780 54.647 0.133 1 1 1560 . 18 1 1 A 138 138 GLN CB C 138 29.048 30.020 -0.972 1 1 1562 . 18 1 1 A 138 138 GLN N N 138 122.528 122.933 -0.405 1 1 1564 . 18 1 1 A 139 139 LEU H H 139 9.039 8.707 0.332 1 1 1565 . 18 1 1 A 139 139 LEU HA H 139 4.205 4.077 0.128 1 1 1575 . 18 1 1 A 139 139 LEU CA C 139 52.367 54.282 -1.915 1 1 1576 . 18 1 1 A 139 139 LEU CB C 139 38.673 41.803 -3.130 1 1 1580 . 18 1 1 A 139 139 LEU N N 139 127.667 126.752 0.915 1 1 1581 . 18 1 1 A 140 140 LYS H H 140 8.078 8.643 -0.565 1 1 1582 . 18 1 1 A 140 140 LYS HA H 140 4.352 4.489 -0.137 1 1 1591 . 18 1 1 A 140 140 LYS CA C 140 56.826 55.676 1.150 1 1 1592 . 18 1 1 A 140 140 LYS CB C 140 32.657 33.827 -1.170 1 1 1596 . 18 1 1 A 140 140 LYS N N 140 124.108 122.566 1.542 1 1 1597 . 18 1 1 A 141 141 GLY H H 141 9.166 9.258 -0.092 1 1 1598 . 18 1 1 A 141 141 GLY HA2 H 141 3.788 3.895 -0.107 1 1 1599 . 18 1 1 A 141 141 GLY HA3 H 141 4.119 3.906 0.213 1 1 1600 . 18 1 1 A 141 141 GLY CA C 141 45.682 46.460 -0.778 1 1 1601 . 18 1 1 A 141 141 GLY N N 141 110.698 111.797 -1.099 1 1 1602 . 18 1 1 A 142 142 ILE H H 142 7.112 7.866 -0.754 1 1 1603 . 18 1 1 A 142 142 ILE HA H 142 4.600 4.777 -0.177 1 1 1613 . 18 1 1 A 142 142 ILE CA C 142 58.547 59.730 -1.183 1 1 1614 . 18 1 1 A 142 142 ILE CB C 142 40.437 41.754 -1.317 1 1 1618 . 18 1 1 A 142 142 ILE N N 142 117.928 120.346 -2.418 1 1 1619 . 18 1 1 A 143 143 SER H H 143 8.381 9.090 -0.709 1 1 1620 . 18 1 1 A 143 143 SER HA H 143 4.613 4.490 0.123 1 1 1623 . 18 1 1 A 143 143 SER CA C 143 56.654 58.852 -2.198 1 1 1624 . 18 1 1 A 143 143 SER CB C 143 65.051 63.639 1.412 1 1 1625 . 18 1 1 A 143 143 SER N N 143 123.373 124.006 -0.633 1 1 1626 . 18 1 1 A 144 144 VAL H H 144 8.702 8.600 0.102 1 1 1627 . 18 1 1 A 144 144 VAL HA H 144 3.593 3.856 -0.263 1 1 1635 . 18 1 1 A 144 144 VAL CA C 144 65.655 65.115 0.540 1 1 1636 . 18 1 1 A 144 144 VAL CB C 144 31.434 31.755 -0.321 1 1 1639 . 18 1 1 A 144 144 VAL N N 144 120.791 127.157 -6.366 1 1 1640 . 18 1 1 A 145 145 ASP H H 145 8.151 8.170 -0.019 1 1 1641 . 18 1 1 A 145 145 ASP HA H 145 4.435 4.465 -0.030 1 1 1644 . 18 1 1 A 145 145 ASP CA C 145 55.211 56.609 -1.398 1 1 1645 . 18 1 1 A 145 145 ASP CB C 145 40.268 40.961 -0.693 1 1 1646 . 18 1 1 A 145 145 ASP N N 145 115.698 120.833 -5.135 1 1 1647 . 18 1 1 A 146 146 GLN H H 146 7.553 7.655 -0.102 1 1 1648 . 18 1 1 A 146 146 GLN HA H 146 4.302 4.451 -0.149 1 1 1655 . 18 1 1 A 146 146 GLN CA C 146 55.072 54.955 0.117 1 1 1656 . 18 1 1 A 146 146 GLN CB C 146 29.990 29.458 0.532 1 1 1658 . 18 1 1 A 146 146 GLN N N 146 117.118 115.912 1.206 1 1 1660 . 18 1 1 A 147 147 LEU H H 147 7.368 7.524 -0.156 1 1 1661 . 18 1 1 A 147 147 LEU HA H 147 4.119 4.198 -0.079 1 1 1671 . 18 1 1 A 147 147 LEU CA C 147 54.904 55.227 -0.323 1 1 1672 . 18 1 1 A 147 147 LEU CB C 147 40.355 41.047 -0.692 1 1 1676 . 18 1 1 A 147 147 LEU N N 147 121.541 122.461 -0.920 1 1 1677 . 18 1 1 A 148 148 GLY H H 148 8.791 8.896 -0.105 1 1 1678 . 18 1 1 A 148 148 GLY HA2 H 148 4.512 3.996 0.516 1 1 1679 . 18 1 1 A 148 148 GLY HA3 H 148 3.997 4.072 -0.075 1 1 1680 . 18 1 1 A 148 148 GLY CA C 148 45.610 46.743 -1.133 1 1 1681 . 18 1 1 A 148 148 GLY N N 148 116.322 113.285 3.037 1 1 1682 . 18 1 1 A 149 149 PHE H H 149 7.790 7.674 0.116 1 1 1683 . 18 1 1 A 149 149 PHE HA H 149 5.215 5.094 0.121 1 1 1691 . 18 1 1 A 149 149 PHE CA C 149 56.942 56.250 0.692 1 1 1692 . 18 1 1 A 149 149 PHE CB C 149 42.019 41.498 0.521 1 1 1696 . 18 1 1 A 149 149 PHE N N 149 113.675 112.916 0.759 1 1 1697 . 18 1 1 A 150 150 VAL H H 150 8.549 8.897 -0.348 1 1 1698 . 18 1 1 A 150 150 VAL HA H 150 4.776 4.562 0.214 1 1 1706 . 18 1 1 A 150 150 VAL CA C 150 61.068 61.437 -0.369 1 1 1707 . 18 1 1 A 150 150 VAL CB C 150 34.594 33.564 1.030 1 1 1710 . 18 1 1 A 150 150 VAL N N 150 118.208 120.287 -2.079 1 1 1711 . 18 1 1 A 151 151 ARG H H 151 9.953 9.248 0.705 1 1 1712 . 18 1 1 A 151 151 ARG HA H 151 5.783 4.792 0.991 1 1 1719 . 18 1 1 A 151 151 ARG CA C 151 53.530 55.416 -1.886 1 1 1720 . 18 1 1 A 151 151 ARG CB C 151 33.540 30.936 2.604 1 1 1723 . 18 1 1 A 151 151 ARG N N 151 128.446 128.753 -0.307 1 1 1724 . 18 1 1 A 152 152 ILE H H 152 8.905 8.794 0.111 1 1 1725 . 18 1 1 A 152 152 ILE HA H 152 5.188 5.044 0.144 1 1 1735 . 18 1 1 A 152 152 ILE CA C 152 60.464 60.557 -0.093 1 1 1736 . 18 1 1 A 152 152 ILE CB C 152 39.542 39.308 0.234 1 1 1740 . 18 1 1 A 152 152 ILE N N 152 127.149 128.409 -1.260 1 1 1741 . 18 1 1 A 153 153 HIS H H 153 8.941 8.266 0.675 1 1 1742 . 18 1 1 A 153 153 HIS HA H 153 5.074 4.941 0.133 1 1 1747 . 18 1 1 A 153 153 HIS CA C 153 53.417 54.838 -1.421 1 1 1748 . 18 1 1 A 153 153 HIS CB C 153 31.734 32.068 -0.334 1 1 1751 . 18 1 1 A 153 153 HIS N N 153 119.132 122.600 -3.468 1 1 1752 . 18 1 1 A 154 154 ASP H H 154 9.109 8.846 0.263 1 1 1753 . 18 1 1 A 154 154 ASP HA H 154 4.276 4.121 0.155 1 1 1756 . 18 1 1 A 154 154 ASP CA C 154 55.630 55.300 0.330 1 1 1757 . 18 1 1 A 154 154 ASP CB C 154 39.450 39.131 0.319 1 1 1758 . 18 1 1 A 154 154 ASP N N 154 116.420 116.801 -0.381 1 1 1759 . 18 1 1 A 155 155 ILE H H 155 8.062 8.056 0.006 1 1 1760 . 18 1 1 A 155 155 ILE HA H 155 5.051 4.233 0.818 1 1 1770 . 18 1 1 A 155 155 ILE CA C 155 59.666 61.776 -2.110 1 1 1771 . 18 1 1 A 155 155 ILE CB C 155 35.757 36.823 -1.066 1 1 1775 . 18 1 1 A 155 155 ILE N N 155 119.131 119.538 -0.407 1 1 1776 . 18 1 1 A 156 156 GLN H H 156 9.011 8.876 0.135 1 1 1777 . 18 1 1 A 156 156 GLN HA H 156 4.993 5.083 -0.090 1 1 1784 . 18 1 1 A 156 156 GLN CA C 156 51.975 52.901 -0.926 1 1 1785 . 18 1 1 A 156 156 GLN CB C 156 31.210 31.811 -0.601 1 1 1787 . 18 1 1 A 156 156 GLN N N 156 127.177 124.676 2.501 1 1 1789 . 18 1 1 A 157 157 PRO HA H 157 4.964 4.806 0.158 1 1 1796 . 18 1 1 A 157 157 PRO CA C 157 61.770 62.644 -0.874 1 1 1797 . 18 1 1 A 157 157 PRO CB C 157 31.637 32.312 -0.675 1 1 1800 . 18 1 1 A 158 158 VAL H H 158 7.921 8.349 -0.428 1 1 1801 . 18 1 1 A 158 158 VAL HA H 158 4.107 4.399 -0.292 1 1 1809 . 18 1 1 A 158 158 VAL CA C 158 62.234 60.689 1.545 1 1 1810 . 18 1 1 A 158 158 VAL CB C 158 32.610 32.331 0.279 1 1 1813 . 18 1 1 A 158 158 VAL N N 158 121.642 116.355 5.287 1 1 1814 . 18 1 1 A 159 159 MET H H 159 8.544 8.501 0.043 1 1 1815 . 18 1 1 A 159 159 MET HA H 159 4.548 4.397 0.151 1 1 1820 . 18 1 1 A 159 159 MET CA C 159 54.731 55.397 -0.666 1 1 1821 . 18 1 1 A 159 159 MET CB C 159 32.547 31.894 0.653 1 1 1823 . 18 1 1 A 159 159 MET N N 159 124.452 119.268 5.184 1 1 1824 . 18 1 1 A 160 160 GLN H H 160 8.434 8.768 -0.334 1 1 1825 . 18 1 1 A 160 160 GLN HA H 160 4.354 4.995 -0.641 1 1 1832 . 18 1 1 A 160 160 GLN CA C 160 55.399 54.221 1.178 1 1 1833 . 18 1 1 A 160 160 GLN CB C 160 29.112 31.701 -2.589 1 1 1835 . 18 1 1 A 160 160 GLN N N 160 121.917 125.793 -3.876 1 1 1837 . 18 1 1 A 161 161 LEU H H 161 8.325 8.530 -0.205 1 1 1838 . 18 1 1 A 161 161 LEU HA H 161 4.314 4.288 0.026 1 1 1848 . 18 1 1 A 161 161 LEU CA C 161 55.040 54.954 0.086 1 1 1849 . 18 1 1 A 161 161 LEU CB C 161 42.225 42.016 0.209 1 1 1853 . 18 1 1 A 161 161 LEU N N 161 123.826 125.369 -1.543 1 1 1854 . 18 1 1 A 162 162 GLU H H 162 8.358 8.433 -0.075 1 1 1855 . 18 1 1 A 162 162 GLU HA H 162 4.216 4.207 0.009 1 1 1860 . 18 1 1 A 162 162 GLU CA C 162 56.343 56.793 -0.450 1 1 1861 . 18 1 1 A 162 162 GLU CB C 162 30.083 30.145 -0.062 1 1 1863 . 18 1 1 A 162 162 GLU N N 162 121.293 123.477 -2.184 1 1 1864 . 18 1 1 A 163 163 HIS H H 163 8.376 8.972 -0.596 1 1 1865 . 18 1 1 A 163 163 HIS HA H 163 4.641 4.875 -0.234 1 1 1868 . 18 1 1 A 163 163 HIS CA C 163 55.437 54.491 0.946 1 1 1869 . 18 1 1 A 163 163 HIS CB C 163 29.412 29.697 -0.285 1 1 1870 . 18 1 1 A 163 163 HIS N N 163 121.307 121.083 0.224 1 1 1871 . 18 1 1 A 164 164 HIS H H 164 8.289 8.243 0.046 1 1 1872 . 18 1 1 A 164 164 HIS N N 164 125.228 120.361 4.867 1 1 1873 . 18 1 1 A 166 166 HIS HA H 166 4.300 4.370 -0.070 1 1 1876 . 18 1 1 A 166 166 HIS CA C 166 55.708 55.650 0.058 1 1 1877 . 18 1 1 A 166 166 HIS CB C 166 29.207 28.692 0.515 1 1 1878 . 18 1 1 A 167 167 HIS H H 167 8.591 8.591 0.000 1 1 1879 . 18 1 1 A 167 167 HIS HA H 167 4.541 4.805 -0.264 1 1 1882 . 18 1 1 A 167 167 HIS CA C 167 54.678 55.604 -0.926 1 1 1883 . 18 1 1 A 167 167 HIS CB C 167 26.256 30.094 -3.838 1 1 1884 . 18 1 1 A 167 167 HIS N N 167 121.317 123.664 -2.347 1 1 1 . 19 1 1 A 2 2 VAL HA H 2 3.850 4.350 -0.500 1 1 9 . 19 1 1 A 2 2 VAL CA C 2 61.400 61.926 -0.526 1 1 10 . 19 1 1 A 2 2 VAL CB C 2 32.400 31.698 0.702 1 1 13 . 19 1 1 A 3 3 GLN HA H 3 4.445 4.984 -0.539 1 1 18 . 19 1 1 A 3 3 GLN CA C 3 55.467 54.293 1.174 1 1 19 . 19 1 1 A 3 3 GLN CB C 3 29.271 31.613 -2.342 1 1 21 . 19 1 1 A 4 4 GLN H H 4 8.703 9.107 -0.404 1 1 22 . 19 1 1 A 4 4 GLN HA H 4 4.356 5.216 -0.860 1 1 27 . 19 1 1 A 4 4 GLN CA C 4 55.961 54.507 1.454 1 1 28 . 19 1 1 A 4 4 GLN CB C 4 29.178 32.815 -3.637 1 1 30 . 19 1 1 A 4 4 GLN N N 4 123.281 118.017 5.264 1 1 31 . 19 1 1 A 5 5 SER H H 5 8.426 8.750 -0.324 1 1 32 . 19 1 1 A 5 5 SER HA H 5 4.424 5.206 -0.782 1 1 35 . 19 1 1 A 5 5 SER CA C 5 58.498 56.968 1.530 1 1 36 . 19 1 1 A 5 5 SER CB C 5 63.534 65.222 -1.688 1 1 37 . 19 1 1 A 5 5 SER N N 5 116.845 115.355 1.490 1 1 38 . 19 1 1 A 6 6 GLU H H 6 8.434 8.834 -0.400 1 1 39 . 19 1 1 A 6 6 GLU HA H 6 4.342 5.022 -0.680 1 1 44 . 19 1 1 A 6 6 GLU CA C 6 56.410 54.807 1.603 1 1 45 . 19 1 1 A 6 6 GLU CB C 6 29.873 34.097 -4.224 1 1 47 . 19 1 1 A 6 6 GLU N N 6 122.965 126.581 -3.616 1 1 48 . 19 1 1 A 7 7 VAL H H 7 8.131 8.950 -0.819 1 1 49 . 19 1 1 A 7 7 VAL HA H 7 4.063 4.884 -0.821 1 1 57 . 19 1 1 A 7 7 VAL CA C 7 62.213 59.917 2.296 1 1 58 . 19 1 1 A 7 7 VAL CB C 7 32.391 34.079 -1.688 1 1 61 . 19 1 1 A 7 7 VAL N N 7 121.508 122.211 -0.703 1 1 62 . 19 1 1 A 8 8 ARG H H 8 8.376 8.533 -0.157 1 1 63 . 19 1 1 A 8 8 ARG HA H 8 4.335 4.484 -0.149 1 1 70 . 19 1 1 A 8 8 ARG CA C 8 56.013 55.705 0.308 1 1 71 . 19 1 1 A 8 8 ARG CB C 8 30.528 31.466 -0.938 1 1 74 . 19 1 1 A 8 8 ARG N N 8 124.504 130.591 -6.087 1 1 75 . 19 1 1 A 9 9 GLN H H 9 8.360 8.512 -0.152 1 1 76 . 19 1 1 A 9 9 GLN HA H 9 4.353 4.184 0.169 1 1 81 . 19 1 1 A 9 9 GLN CA C 9 55.446 56.215 -0.769 1 1 82 . 19 1 1 A 9 9 GLN CB C 9 29.236 28.851 0.385 1 1 84 . 19 1 1 A 9 9 GLN N N 9 121.537 123.888 -2.351 1 1 85 . 19 1 1 A 10 10 MET H H 10 8.391 8.884 -0.493 1 1 86 . 19 1 1 A 10 10 MET HA H 10 4.459 4.370 0.089 1 1 91 . 19 1 1 A 10 10 MET CA C 10 55.062 55.366 -0.304 1 1 92 . 19 1 1 A 10 10 MET CB C 10 32.482 33.633 -1.151 1 1 94 . 19 1 1 A 10 10 MET N N 10 122.199 122.721 -0.522 1 1 95 . 19 1 1 A 11 11 LYS H H 11 8.317 8.165 0.152 1 1 96 . 19 1 1 A 11 11 LYS HA H 11 4.296 4.503 -0.207 1 1 105 . 19 1 1 A 11 11 LYS CA C 11 56.114 56.045 0.069 1 1 106 . 19 1 1 A 11 11 LYS CB C 11 32.372 32.605 -0.233 1 1 110 . 19 1 1 A 11 11 LYS N N 11 122.440 122.314 0.126 1 1 111 . 19 1 1 A 12 12 HIS H H 12 8.489 8.494 -0.005 1 1 112 . 19 1 1 A 12 12 HIS HA H 12 4.748 4.716 0.032 1 1 116 . 19 1 1 A 12 12 HIS CA C 12 55.052 57.164 -2.112 1 1 117 . 19 1 1 A 12 12 HIS CB C 12 29.094 30.634 -1.540 1 1 119 . 19 1 1 A 12 12 HIS N N 12 119.934 128.040 -8.106 1 1 120 . 19 1 1 A 13 13 SER H H 13 8.401 8.146 0.255 1 1 121 . 19 1 1 A 13 13 SER HA H 13 4.518 4.380 0.138 1 1 124 . 19 1 1 A 13 13 SER CA C 13 57.855 58.120 -0.265 1 1 125 . 19 1 1 A 13 13 SER CB C 13 63.750 63.888 -0.138 1 1 126 . 19 1 1 A 13 13 SER N N 13 117.596 117.929 -0.333 1 1 127 . 19 1 1 A 14 14 VAL H H 14 8.285 8.855 -0.570 1 1 128 . 19 1 1 A 14 14 VAL HA H 14 4.239 5.161 -0.922 1 1 136 . 19 1 1 A 14 14 VAL CA C 14 62.078 59.241 2.837 1 1 137 . 19 1 1 A 14 14 VAL CB C 14 32.564 36.158 -3.594 1 1 140 . 19 1 1 A 14 14 VAL N N 14 121.378 117.548 3.830 1 1 141 . 19 1 1 A 15 15 SER H H 15 8.419 8.816 -0.397 1 1 142 . 19 1 1 A 15 15 SER HA H 15 4.556 5.071 -0.515 1 1 145 . 19 1 1 A 15 15 SER CA C 15 57.855 56.036 1.819 1 1 146 . 19 1 1 A 15 15 SER CB C 15 63.600 65.948 -2.348 1 1 147 . 19 1 1 A 15 15 SER N N 15 119.022 116.653 2.369 1 1 148 . 19 1 1 A 16 16 THR H H 16 8.189 8.797 -0.608 1 1 149 . 19 1 1 A 16 16 THR HA H 16 4.362 4.774 -0.412 1 1 154 . 19 1 1 A 16 16 THR CA C 16 61.510 60.636 0.874 1 1 155 . 19 1 1 A 16 16 THR CB C 16 69.292 70.505 -1.213 1 1 157 . 19 1 1 A 16 16 THR N N 16 116.040 116.779 -0.739 1 1 158 . 19 1 1 A 17 17 LEU H H 17 8.168 8.961 -0.793 1 1 159 . 19 1 1 A 17 17 LEU HA H 17 4.331 4.846 -0.515 1 1 169 . 19 1 1 A 17 17 LEU CA C 17 55.446 53.430 2.016 1 1 170 . 19 1 1 A 17 17 LEU CB C 17 42.032 43.742 -1.710 1 1 174 . 19 1 1 A 17 17 LEU N N 17 123.796 126.918 -3.122 1 1 175 . 19 1 1 A 18 18 ASN H H 18 8.406 8.685 -0.279 1 1 176 . 19 1 1 A 18 18 ASN HA H 18 4.685 4.858 -0.173 1 1 181 . 19 1 1 A 18 18 ASN CA C 18 53.276 52.850 0.426 1 1 182 . 19 1 1 A 18 18 ASN CB C 18 38.462 39.685 -1.223 1 1 183 . 19 1 1 A 18 18 ASN N N 18 119.197 123.891 -4.694 1 1 185 . 19 1 1 A 19 19 GLN H H 19 8.346 8.519 -0.173 1 1 186 . 19 1 1 A 19 19 GLN HA H 19 4.319 4.488 -0.169 1 1 193 . 19 1 1 A 19 19 GLN CA C 19 56.075 55.083 0.992 1 1 194 . 19 1 1 A 19 19 GLN CB C 19 29.077 30.206 -1.129 1 1 196 . 19 1 1 A 19 19 GLN N N 19 120.620 119.246 1.374 1 1 198 . 19 1 1 A 20 20 GLU H H 20 8.474 8.250 0.224 1 1 199 . 19 1 1 A 20 20 GLU HA H 20 4.269 4.398 -0.129 1 1 204 . 19 1 1 A 20 20 GLU CA C 20 56.932 55.876 1.056 1 1 205 . 19 1 1 A 20 20 GLU CB C 20 29.694 30.523 -0.829 1 1 207 . 19 1 1 A 20 20 GLU N N 20 121.410 121.778 -0.368 1 1 208 . 19 1 1 A 21 21 MET H H 21 8.366 8.618 -0.252 1 1 209 . 19 1 1 A 21 21 MET HA H 21 4.538 4.414 0.124 1 1 214 . 19 1 1 A 21 21 MET CA C 21 55.812 56.208 -0.396 1 1 215 . 19 1 1 A 21 21 MET CB C 21 32.188 33.165 -0.977 1 1 217 . 19 1 1 A 21 21 MET N N 21 120.618 122.763 -2.145 1 1 218 . 19 1 1 A 22 22 THR H H 22 8.127 8.479 -0.352 1 1 219 . 19 1 1 A 22 22 THR HA H 22 4.299 4.747 -0.448 1 1 224 . 19 1 1 A 22 22 THR CA C 22 62.287 59.472 2.815 1 1 225 . 19 1 1 A 22 22 THR CB C 22 69.174 70.948 -1.774 1 1 227 . 19 1 1 A 22 22 THR N N 22 114.858 114.866 -0.008 1 1 228 . 19 1 1 A 23 23 GLN H H 23 8.342 8.217 0.125 1 1 229 . 19 1 1 A 23 23 GLN HA H 23 4.339 4.345 -0.006 1 1 236 . 19 1 1 A 23 23 GLN CA C 23 56.148 56.088 0.060 1 1 237 . 19 1 1 A 23 23 GLN CB C 23 29.112 29.814 -0.702 1 1 239 . 19 1 1 A 23 23 GLN N N 23 122.047 122.064 -0.017 1 1 241 . 19 1 1 A 24 24 LEU H H 24 8.174 8.290 -0.116 1 1 242 . 19 1 1 A 24 24 LEU HA H 24 4.334 4.632 -0.298 1 1 252 . 19 1 1 A 24 24 LEU CA C 24 55.519 54.967 0.552 1 1 253 . 19 1 1 A 24 24 LEU CB C 24 42.146 43.025 -0.879 1 1 257 . 19 1 1 A 24 24 LEU N N 24 122.328 123.305 -0.977 1 1 258 . 19 1 1 A 25 25 ASN H H 25 8.384 8.680 -0.296 1 1 259 . 19 1 1 A 25 25 ASN HA H 25 4.692 5.082 -0.390 1 1 264 . 19 1 1 A 25 25 ASN CA C 25 53.481 51.933 1.548 1 1 265 . 19 1 1 A 25 25 ASN CB C 25 38.445 40.822 -2.377 1 1 266 . 19 1 1 A 25 25 ASN N N 25 119.262 124.046 -4.784 1 1 268 . 19 1 1 A 26 26 GLN H H 26 8.453 9.063 -0.610 1 1 269 . 19 1 1 A 26 26 GLN HA H 26 4.215 3.918 0.297 1 1 276 . 19 1 1 A 26 26 GLN CA C 26 57.037 59.342 -2.305 1 1 277 . 19 1 1 A 26 26 GLN CB C 26 28.996 28.336 0.660 1 1 279 . 19 1 1 A 26 26 GLN N N 26 120.394 121.955 -1.561 1 1 281 . 19 1 1 A 27 27 GLU H H 27 8.501 8.290 0.211 1 1 282 . 19 1 1 A 27 27 GLU HA H 27 4.202 4.361 -0.159 1 1 287 . 19 1 1 A 27 27 GLU CA C 27 58.573 59.418 -0.845 1 1 288 . 19 1 1 A 27 27 GLU CB C 27 29.349 29.572 -0.223 1 1 290 . 19 1 1 A 27 27 GLU N N 27 121.130 119.233 1.897 1 1 291 . 19 1 1 A 28 28 THR H H 28 8.032 8.108 -0.076 1 1 292 . 19 1 1 A 28 28 THR HA H 28 4.079 3.944 0.135 1 1 297 . 19 1 1 A 28 28 THR CA C 28 64.762 66.457 -1.695 1 1 298 . 19 1 1 A 28 28 THR CB C 28 68.354 68.347 0.007 1 1 300 . 19 1 1 A 28 28 THR N N 28 114.032 117.247 -3.215 1 1 301 . 19 1 1 A 29 29 VAL H H 29 7.969 7.998 -0.029 1 1 302 . 19 1 1 A 29 29 VAL HA H 29 3.812 3.548 0.264 1 1 310 . 19 1 1 A 29 29 VAL CA C 29 65.572 67.375 -1.803 1 1 311 . 19 1 1 A 29 29 VAL CB C 29 31.624 31.357 0.267 1 1 314 . 19 1 1 A 29 29 VAL N N 29 122.215 121.954 0.261 1 1 315 . 19 1 1 A 30 30 LYS H H 30 7.910 7.644 0.266 1 1 316 . 19 1 1 A 30 30 LYS HA H 30 4.175 3.901 0.274 1 1 325 . 19 1 1 A 30 30 LYS CA C 30 57.780 60.075 -2.295 1 1 326 . 19 1 1 A 30 30 LYS CB C 30 31.537 32.448 -0.911 1 1 330 . 19 1 1 A 30 30 LYS N N 30 119.387 119.053 0.334 1 1 331 . 19 1 1 A 31 31 ILE H H 31 8.277 8.139 0.138 1 1 332 . 19 1 1 A 31 31 ILE HA H 31 3.602 3.579 0.023 1 1 342 . 19 1 1 A 31 31 ILE CA C 31 65.712 65.590 0.122 1 1 343 . 19 1 1 A 31 31 ILE CB C 31 38.559 37.662 0.897 1 1 347 . 19 1 1 A 31 31 ILE N N 31 121.053 120.794 0.259 1 1 348 . 19 1 1 A 32 32 THR H H 32 7.896 8.122 -0.226 1 1 349 . 19 1 1 A 32 32 THR HA H 32 4.004 3.828 0.176 1 1 354 . 19 1 1 A 32 32 THR CA C 32 65.922 66.817 -0.895 1 1 355 . 19 1 1 A 32 32 THR CB C 32 68.400 68.646 -0.246 1 1 357 . 19 1 1 A 32 32 THR N N 32 115.554 117.120 -1.566 1 1 358 . 19 1 1 A 33 33 GLN H H 33 8.279 8.224 0.055 1 1 359 . 19 1 1 A 33 33 GLN HA H 33 3.887 3.866 0.021 1 1 366 . 19 1 1 A 33 33 GLN CA C 33 59.052 59.092 -0.040 1 1 367 . 19 1 1 A 33 33 GLN CB C 33 27.889 28.238 -0.349 1 1 369 . 19 1 1 A 33 33 GLN N N 33 120.920 122.625 -1.705 1 1 371 . 19 1 1 A 34 34 GLN H H 34 8.671 8.234 0.437 1 1 372 . 19 1 1 A 34 34 GLN HA H 34 3.615 3.949 -0.334 1 1 379 . 19 1 1 A 34 34 GLN CA C 34 60.424 58.962 1.462 1 1 380 . 19 1 1 A 34 34 GLN CB C 34 30.058 28.342 1.716 1 1 382 . 19 1 1 A 34 34 GLN N N 34 120.388 118.978 1.410 1 1 384 . 19 1 1 A 35 35 ASN H H 35 8.636 8.143 0.493 1 1 385 . 19 1 1 A 35 35 ASN HA H 35 4.595 4.490 0.105 1 1 390 . 19 1 1 A 35 35 ASN CA C 35 55.363 56.239 -0.876 1 1 391 . 19 1 1 A 35 35 ASN CB C 35 36.904 37.670 -0.766 1 1 392 . 19 1 1 A 35 35 ASN N N 35 116.477 118.481 -2.004 1 1 394 . 19 1 1 A 36 36 ARG H H 36 8.321 7.591 0.730 1 1 395 . 19 1 1 A 36 36 ARG HA H 36 4.142 4.092 0.050 1 1 402 . 19 1 1 A 36 36 ARG CA C 36 58.582 59.083 -0.501 1 1 403 . 19 1 1 A 36 36 ARG CB C 36 29.712 29.972 -0.260 1 1 406 . 19 1 1 A 36 36 ARG N N 36 121.347 120.208 1.139 1 1 407 . 19 1 1 A 37 37 LEU H H 37 8.251 8.222 0.029 1 1 408 . 19 1 1 A 37 37 LEU HA H 37 3.788 3.715 0.073 1 1 418 . 19 1 1 A 37 37 LEU CA C 37 57.094 57.933 -0.839 1 1 419 . 19 1 1 A 37 37 LEU CB C 37 40.554 40.470 0.084 1 1 423 . 19 1 1 A 37 37 LEU N N 37 120.862 119.810 1.052 1 1 424 . 19 1 1 A 38 38 ASN H H 38 8.047 8.655 -0.608 1 1 425 . 19 1 1 A 38 38 ASN HA H 38 5.134 4.551 0.583 1 1 430 . 19 1 1 A 38 38 ASN CA C 38 54.413 57.150 -2.737 1 1 431 . 19 1 1 A 38 38 ASN CB C 38 38.069 39.586 -1.517 1 1 432 . 19 1 1 A 38 38 ASN N N 38 115.574 117.742 -2.168 1 1 434 . 19 1 1 A 39 39 ALA H H 39 7.878 7.988 -0.110 1 1 435 . 19 1 1 A 39 39 ALA HA H 39 4.342 4.090 0.252 1 1 439 . 19 1 1 A 39 39 ALA CA C 39 53.981 54.619 -0.638 1 1 440 . 19 1 1 A 39 39 ALA CB C 39 18.340 18.508 -0.168 1 1 441 . 19 1 1 A 39 39 ALA N N 39 123.076 121.016 2.060 1 1 442 . 19 1 1 A 40 40 LYS H H 40 7.431 7.527 -0.096 1 1 443 . 19 1 1 A 40 40 LYS HA H 40 4.528 4.391 0.137 1 1 452 . 19 1 1 A 40 40 LYS CA C 40 55.285 57.020 -1.735 1 1 453 . 19 1 1 A 40 40 LYS CB C 40 32.852 32.929 -0.077 1 1 457 . 19 1 1 A 40 40 LYS N N 40 114.889 115.528 -0.639 1 1 458 . 19 1 1 A 41 41 SER H H 41 7.671 7.370 0.301 1 1 459 . 19 1 1 A 41 41 SER HA H 41 4.615 4.634 -0.019 1 1 462 . 19 1 1 A 41 41 SER CA C 41 58.189 58.776 -0.587 1 1 463 . 19 1 1 A 41 41 SER CB C 41 63.924 64.242 -0.318 1 1 464 . 19 1 1 A 41 41 SER N N 41 114.795 116.517 -1.722 1 1 465 . 19 1 1 A 42 42 SER H H 42 8.927 8.836 0.091 1 1 466 . 19 1 1 A 42 42 SER HA H 42 4.792 4.760 0.032 1 1 469 . 19 1 1 A 42 42 SER CA C 42 58.133 58.464 -0.331 1 1 470 . 19 1 1 A 42 42 SER CB C 42 63.712 63.941 -0.229 1 1 471 . 19 1 1 A 42 42 SER N N 42 120.934 121.287 -0.353 1 1 472 . 19 1 1 A 43 43 SER H H 43 8.320 7.601 0.719 1 1 473 . 19 1 1 A 43 43 SER HA H 43 4.654 4.677 -0.023 1 1 476 . 19 1 1 A 43 43 SER CA C 43 57.309 57.567 -0.258 1 1 477 . 19 1 1 A 43 43 SER CB C 43 63.151 65.711 -2.560 1 1 478 . 19 1 1 A 43 43 SER N N 43 115.966 115.327 0.639 1 1 479 . 19 1 1 A 44 44 GLY H H 44 8.182 8.850 -0.668 1 1 480 . 19 1 1 A 44 44 GLY HA2 H 44 4.206 3.935 0.271 1 1 481 . 19 1 1 A 44 44 GLY HA3 H 44 4.399 3.966 0.433 1 1 482 . 19 1 1 A 44 44 GLY CA C 44 44.540 44.861 -0.321 1 1 483 . 19 1 1 A 44 44 GLY N N 44 110.764 117.325 -6.561 1 1 484 . 19 1 1 A 45 45 VAL H H 45 8.341 7.990 0.351 1 1 485 . 19 1 1 A 45 45 VAL HA H 45 4.845 4.958 -0.113 1 1 493 . 19 1 1 A 45 45 VAL CA C 45 58.981 59.502 -0.521 1 1 494 . 19 1 1 A 45 45 VAL CB C 45 35.239 34.699 0.540 1 1 497 . 19 1 1 A 45 45 VAL N N 45 114.116 116.139 -2.023 1 1 498 . 19 1 1 A 46 46 TYR H H 46 10.501 8.841 1.660 1 1 499 . 19 1 1 A 46 46 TYR HA H 46 5.004 5.189 -0.185 1 1 506 . 19 1 1 A 46 46 TYR CA C 46 58.121 57.258 0.863 1 1 507 . 19 1 1 A 46 46 TYR CB C 46 41.382 39.859 1.523 1 1 510 . 19 1 1 A 46 46 TYR N N 46 123.384 124.291 -0.907 1 1 511 . 19 1 1 A 47 47 LEU H H 47 9.364 9.601 -0.237 1 1 512 . 19 1 1 A 47 47 LEU HA H 47 4.695 5.191 -0.496 1 1 522 . 19 1 1 A 47 47 LEU CA C 47 52.769 53.491 -0.722 1 1 523 . 19 1 1 A 47 47 LEU CB C 47 44.689 43.412 1.277 1 1 527 . 19 1 1 A 47 47 LEU N N 47 118.822 124.875 -6.053 1 1 528 . 19 1 1 A 48 48 LEU H H 48 9.128 9.158 -0.030 1 1 529 . 19 1 1 A 48 48 LEU HA H 48 5.232 4.880 0.352 1 1 539 . 19 1 1 A 48 48 LEU CA C 48 51.100 50.951 0.149 1 1 540 . 19 1 1 A 48 48 LEU CB C 48 40.141 42.777 -2.636 1 1 544 . 19 1 1 A 48 48 LEU N N 48 123.384 124.917 -1.533 1 1 545 . 19 1 1 A 49 49 PRO HA H 49 4.090 4.294 -0.204 1 1 552 . 19 1 1 A 49 49 PRO CA C 49 64.912 63.919 0.993 1 1 553 . 19 1 1 A 49 49 PRO CB C 49 31.607 31.439 0.168 1 1 556 . 19 1 1 A 50 50 GLY H H 50 9.181 8.761 0.420 1 1 557 . 19 1 1 A 50 50 GLY HA2 H 50 3.933 3.972 -0.039 1 1 558 . 19 1 1 A 50 50 GLY HA3 H 50 4.757 3.974 0.783 1 1 559 . 19 1 1 A 50 50 GLY CA C 50 45.499 45.549 -0.050 1 1 560 . 19 1 1 A 50 50 GLY N N 50 106.827 112.817 -5.990 1 1 561 . 19 1 1 A 51 51 ALA H H 51 7.857 7.775 0.082 1 1 562 . 19 1 1 A 51 51 ALA HA H 51 4.264 4.619 -0.355 1 1 566 . 19 1 1 A 51 51 ALA CA C 51 53.156 51.296 1.860 1 1 567 . 19 1 1 A 51 51 ALA CB C 51 18.492 20.143 -1.651 1 1 568 . 19 1 1 A 51 51 ALA N N 51 120.192 121.092 -0.900 1 1 569 . 19 1 1 A 52 52 LYS H H 52 7.787 8.760 -0.973 1 1 570 . 19 1 1 A 52 52 LYS HA H 52 4.094 4.450 -0.356 1 1 579 . 19 1 1 A 52 52 LYS CA C 52 56.979 55.859 1.120 1 1 580 . 19 1 1 A 52 52 LYS CB C 52 30.731 30.759 -0.028 1 1 584 . 19 1 1 A 52 52 LYS N N 52 115.260 123.931 -8.671 1 1 585 . 19 1 1 A 53 53 THR H H 53 8.043 8.127 -0.084 1 1 586 . 19 1 1 A 53 53 THR HA H 53 4.924 5.011 -0.087 1 1 591 . 19 1 1 A 53 53 THR CA C 53 59.565 58.499 1.066 1 1 592 . 19 1 1 A 53 53 THR CB C 53 72.729 70.771 1.958 1 1 594 . 19 1 1 A 53 53 THR N N 53 114.085 112.840 1.245 1 1 595 . 19 1 1 A 54 54 PRO HA H 54 4.860 5.296 -0.436 1 1 602 . 19 1 1 A 54 54 PRO CA C 54 62.176 62.268 -0.092 1 1 603 . 19 1 1 A 54 54 PRO CB C 54 32.820 32.593 0.227 1 1 606 . 19 1 1 A 55 55 ALA H H 55 8.834 8.504 0.330 1 1 607 . 19 1 1 A 55 55 ALA HA H 55 4.824 4.995 -0.171 1 1 611 . 19 1 1 A 55 55 ALA CA C 55 50.500 50.340 0.160 1 1 612 . 19 1 1 A 55 55 ALA CB C 55 22.858 21.918 0.940 1 1 613 . 19 1 1 A 55 55 ALA N N 55 122.227 123.274 -1.047 1 1 614 . 19 1 1 A 56 56 ARG H H 56 8.445 8.732 -0.287 1 1 615 . 19 1 1 A 56 56 ARG HA H 56 5.262 4.514 0.748 1 1 623 . 19 1 1 A 56 56 ARG CA C 56 54.401 55.799 -1.398 1 1 624 . 19 1 1 A 56 56 ARG CB C 56 32.849 30.735 2.114 1 1 627 . 19 1 1 A 56 56 ARG N N 56 121.194 123.210 -2.016 1 1 629 . 19 1 1 A 57 57 LEU H H 57 9.159 9.203 -0.044 1 1 630 . 19 1 1 A 57 57 LEU HA H 57 4.672 4.944 -0.272 1 1 640 . 19 1 1 A 57 57 LEU CA C 57 53.028 53.855 -0.827 1 1 641 . 19 1 1 A 57 57 LEU CB C 57 46.231 44.020 2.211 1 1 645 . 19 1 1 A 57 57 LEU N N 57 125.694 129.009 -3.315 1 1 646 . 19 1 1 A 58 58 GLU H H 58 8.890 8.875 0.015 1 1 647 . 19 1 1 A 58 58 GLU HA H 58 4.535 4.514 0.021 1 1 652 . 19 1 1 A 58 58 GLU CA C 58 55.733 55.559 0.174 1 1 653 . 19 1 1 A 58 58 GLU CB C 58 27.970 29.596 -1.626 1 1 655 . 19 1 1 A 58 58 GLU N N 58 127.677 128.581 -0.904 1 1 656 . 19 1 1 A 59 59 SER H H 59 7.772 8.646 -0.874 1 1 657 . 19 1 1 A 59 59 SER HA H 59 4.970 4.933 0.037 1 1 661 . 19 1 1 A 59 59 SER CA C 59 57.576 56.323 1.253 1 1 662 . 19 1 1 A 59 59 SER CB C 59 69.174 65.670 3.504 1 1 663 . 19 1 1 A 59 59 SER N N 59 121.860 119.786 2.074 1 1 664 . 19 1 1 A 60 60 GLN H H 60 9.336 8.609 0.727 1 1 665 . 19 1 1 A 60 60 GLN HA H 60 4.262 4.079 0.183 1 1 672 . 19 1 1 A 60 60 GLN CA C 60 57.792 58.858 -1.066 1 1 673 . 19 1 1 A 60 60 GLN CB C 60 29.669 28.408 1.261 1 1 675 . 19 1 1 A 60 60 GLN N N 60 119.522 118.859 0.663 1 1 677 . 19 1 1 A 61 61 ILE H H 61 8.007 7.713 0.294 1 1 678 . 19 1 1 A 61 61 ILE HA H 61 4.623 4.157 0.466 1 1 688 . 19 1 1 A 61 61 ILE CA C 61 59.813 62.367 -2.554 1 1 689 . 19 1 1 A 61 61 ILE CB C 61 37.013 38.374 -1.361 1 1 693 . 19 1 1 A 61 61 ILE N N 61 109.398 114.420 -5.022 1 1 694 . 19 1 1 A 62 62 GLY H H 62 7.223 6.877 0.346 1 1 695 . 19 1 1 A 62 62 GLY HA2 H 62 4.493 4.049 0.444 1 1 696 . 19 1 1 A 62 62 GLY HA3 H 62 3.872 4.062 -0.190 1 1 697 . 19 1 1 A 62 62 GLY CA C 62 43.022 45.427 -2.405 1 1 698 . 19 1 1 A 62 62 GLY N N 62 109.035 109.082 -0.047 1 1 699 . 19 1 1 A 63 63 THR H H 63 8.910 8.423 0.487 1 1 700 . 19 1 1 A 63 63 THR HA H 63 4.599 4.861 -0.262 1 1 705 . 19 1 1 A 63 63 THR CA C 63 64.037 61.878 2.159 1 1 706 . 19 1 1 A 63 63 THR CB C 63 68.111 69.638 -1.527 1 1 708 . 19 1 1 A 63 63 THR N N 63 119.711 116.588 3.123 1 1 709 . 19 1 1 A 64 64 LEU H H 64 9.070 8.919 0.151 1 1 710 . 19 1 1 A 64 64 LEU HA H 64 5.120 5.299 -0.179 1 1 720 . 19 1 1 A 64 64 LEU CA C 64 52.680 52.407 0.273 1 1 721 . 19 1 1 A 64 64 LEU CB C 64 44.749 46.017 -1.268 1 1 725 . 19 1 1 A 64 64 LEU N N 64 127.640 123.784 3.856 1 1 726 . 19 1 1 A 65 65 ARG H H 65 9.271 9.023 0.248 1 1 727 . 19 1 1 A 65 65 ARG HA H 65 4.989 5.429 -0.440 1 1 735 . 19 1 1 A 65 65 ARG CA C 65 54.814 54.493 0.321 1 1 736 . 19 1 1 A 65 65 ARG CB C 65 31.836 32.126 -0.290 1 1 739 . 19 1 1 A 65 65 ARG N N 65 122.680 119.641 3.039 1 1 741 . 19 1 1 A 66 66 MET H H 66 9.310 8.773 0.537 1 1 742 . 19 1 1 A 66 66 MET HA H 66 5.822 5.731 0.091 1 1 747 . 19 1 1 A 66 66 MET CA C 66 53.936 53.972 -0.036 1 1 748 . 19 1 1 A 66 66 MET CB C 66 35.912 34.364 1.548 1 1 750 . 19 1 1 A 66 66 MET N N 66 125.309 124.124 1.185 1 1 751 . 19 1 1 A 67 67 SER H H 67 8.943 8.849 0.094 1 1 752 . 19 1 1 A 67 67 SER HA H 67 4.660 5.288 -0.628 1 1 755 . 19 1 1 A 67 67 SER CA C 67 57.460 56.517 0.943 1 1 756 . 19 1 1 A 67 67 SER CB C 67 65.747 66.133 -0.386 1 1 757 . 19 1 1 A 67 67 SER N N 67 112.115 116.084 -3.969 1 1 758 . 19 1 1 A 68 68 LEU H H 68 8.410 8.834 -0.424 1 1 759 . 19 1 1 A 68 68 LEU HA H 68 5.115 5.034 0.081 1 1 769 . 19 1 1 A 68 68 LEU CA C 68 52.837 53.558 -0.721 1 1 770 . 19 1 1 A 68 68 LEU CB C 68 42.269 42.431 -0.162 1 1 774 . 19 1 1 A 68 68 LEU N N 68 118.367 124.302 -5.935 1 1 775 . 19 1 1 A 69 69 VAL H H 69 9.060 8.254 0.806 1 1 776 . 19 1 1 A 69 69 VAL HA H 69 4.440 4.607 -0.167 1 1 784 . 19 1 1 A 69 69 VAL CA C 69 59.852 59.518 0.334 1 1 785 . 19 1 1 A 69 69 VAL CB C 69 35.349 35.470 -0.121 1 1 788 . 19 1 1 A 69 69 VAL N N 69 119.888 118.555 1.333 1 1 789 . 19 1 1 A 70 70 ASN H H 70 8.651 8.774 -0.123 1 1 790 . 19 1 1 A 70 70 ASN HA H 70 4.345 4.276 0.069 1 1 795 . 19 1 1 A 70 70 ASN CA C 70 53.555 54.134 -0.579 1 1 796 . 19 1 1 A 70 70 ASN CB C 70 36.932 36.713 0.219 1 1 797 . 19 1 1 A 70 70 ASN N N 70 119.166 117.834 1.332 1 1 799 . 19 1 1 A 71 71 ILE H H 71 8.449 8.081 0.368 1 1 800 . 19 1 1 A 71 71 ILE HA H 71 4.235 4.083 0.152 1 1 810 . 19 1 1 A 71 71 ILE CA C 71 63.104 62.082 1.022 1 1 811 . 19 1 1 A 71 71 ILE CB C 71 37.200 37.147 0.053 1 1 815 . 19 1 1 A 71 71 ILE N N 71 121.388 119.355 2.033 1 1 816 . 19 1 1 A 72 72 THR H H 72 9.511 8.559 0.952 1 1 817 . 19 1 1 A 72 72 THR HA H 72 4.967 5.057 -0.090 1 1 822 . 19 1 1 A 72 72 THR CA C 72 59.584 58.582 1.002 1 1 823 . 19 1 1 A 72 72 THR CB C 72 71.930 70.465 1.465 1 1 825 . 19 1 1 A 72 72 THR N N 72 125.726 118.051 7.675 1 1 826 . 19 1 1 A 73 73 PRO HA H 73 4.822 4.506 0.316 1 1 833 . 19 1 1 A 73 73 PRO CA C 73 63.362 62.925 0.437 1 1 834 . 19 1 1 A 73 73 PRO CB C 73 32.451 32.909 -0.458 1 1 837 . 19 1 1 A 74 74 ASP H H 74 8.404 8.905 -0.501 1 1 838 . 19 1 1 A 74 74 ASP HA H 74 4.824 5.085 -0.261 1 1 841 . 19 1 1 A 74 74 ASP CA C 74 52.609 53.209 -0.600 1 1 842 . 19 1 1 A 74 74 ASP CB C 74 43.743 43.950 -0.207 1 1 843 . 19 1 1 A 74 74 ASP N N 74 122.325 121.616 0.709 1 1 844 . 19 1 1 A 75 75 ALA H H 75 8.539 8.804 -0.265 1 1 845 . 19 1 1 A 75 75 ALA HA H 75 4.062 4.089 -0.027 1 1 849 . 19 1 1 A 75 75 ALA CA C 75 54.431 55.656 -1.225 1 1 850 . 19 1 1 A 75 75 ALA CB C 75 18.117 18.171 -0.054 1 1 851 . 19 1 1 A 75 75 ALA N N 75 123.501 126.417 -2.916 1 1 852 . 19 1 1 A 76 76 ASP H H 76 8.356 8.146 0.210 1 1 853 . 19 1 1 A 76 76 ASP HA H 76 4.815 4.404 0.411 1 1 856 . 19 1 1 A 76 76 ASP CA C 76 53.161 56.712 -3.551 1 1 857 . 19 1 1 A 76 76 ASP CB C 76 41.234 41.488 -0.254 1 1 858 . 19 1 1 A 76 76 ASP N N 76 115.326 117.867 -2.541 1 1 859 . 19 1 1 A 77 77 GLY H H 77 7.569 7.509 0.060 1 1 860 . 19 1 1 A 77 77 GLY HA2 H 77 3.925 4.082 -0.157 1 1 861 . 19 1 1 A 77 77 GLY HA3 H 77 4.508 4.083 0.425 1 1 862 . 19 1 1 A 77 77 GLY CA C 77 46.675 46.105 0.570 1 1 863 . 19 1 1 A 77 77 GLY N N 77 109.452 103.924 5.528 1 1 864 . 19 1 1 A 78 78 THR H H 78 8.272 7.976 0.296 1 1 865 . 19 1 1 A 78 78 THR HA H 78 4.655 5.060 -0.405 1 1 870 . 19 1 1 A 78 78 THR CA C 78 63.204 61.158 2.046 1 1 871 . 19 1 1 A 78 78 THR CB C 78 72.222 72.519 -0.297 1 1 873 . 19 1 1 A 78 78 THR N N 78 122.442 111.544 10.898 1 1 874 . 19 1 1 A 79 79 THR H H 79 9.027 9.080 -0.053 1 1 875 . 19 1 1 A 79 79 THR HA H 79 5.164 5.412 -0.248 1 1 880 . 19 1 1 A 79 79 THR CA C 79 60.303 59.856 0.447 1 1 881 . 19 1 1 A 79 79 THR CB C 79 70.442 71.435 -0.993 1 1 883 . 19 1 1 A 79 79 THR N N 79 121.451 116.203 5.248 1 1 884 . 19 1 1 A 80 80 LEU H H 80 8.698 8.668 0.030 1 1 885 . 19 1 1 A 80 80 LEU HA H 80 4.835 4.933 -0.098 1 1 895 . 19 1 1 A 80 80 LEU CA C 80 54.194 53.611 0.583 1 1 896 . 19 1 1 A 80 80 LEU CB C 80 44.576 45.708 -1.132 1 1 900 . 19 1 1 A 80 80 LEU N N 80 119.374 121.542 -2.168 1 1 901 . 19 1 1 A 81 81 THR H H 81 8.675 9.053 -0.378 1 1 902 . 19 1 1 A 81 81 THR HA H 81 4.740 4.517 0.223 1 1 907 . 19 1 1 A 81 81 THR CA C 81 61.838 62.578 -0.740 1 1 908 . 19 1 1 A 81 81 THR CB C 81 70.190 68.679 1.511 1 1 910 . 19 1 1 A 81 81 THR N N 81 116.982 116.991 -0.009 1 1 911 . 19 1 1 A 82 82 LEU H H 82 8.898 9.027 -0.129 1 1 912 . 19 1 1 A 82 82 LEU HA H 82 4.748 4.826 -0.078 1 1 922 . 19 1 1 A 82 82 LEU CA C 82 53.076 54.361 -1.285 1 1 923 . 19 1 1 A 82 82 LEU CB C 82 43.189 43.089 0.100 1 1 927 . 19 1 1 A 82 82 LEU N N 82 130.905 129.634 1.271 1 1 928 . 19 1 1 A 83 83 ARG H H 83 9.162 8.734 0.428 1 1 929 . 19 1 1 A 83 83 ARG HA H 83 5.174 4.753 0.421 1 1 936 . 19 1 1 A 83 83 ARG CA C 83 54.441 55.877 -1.436 1 1 937 . 19 1 1 A 83 83 ARG CB C 83 31.332 31.140 0.192 1 1 940 . 19 1 1 A 83 83 ARG N N 83 131.064 126.988 4.076 1 1 941 . 19 1 1 A 84 84 ILE H H 84 9.474 9.396 0.078 1 1 942 . 19 1 1 A 84 84 ILE HA H 84 4.611 4.625 -0.014 1 1 952 . 19 1 1 A 84 84 ILE CA C 84 60.486 60.499 -0.013 1 1 953 . 19 1 1 A 84 84 ILE CB C 84 40.120 39.124 0.996 1 1 957 . 19 1 1 A 84 84 ILE N N 84 128.394 123.903 4.491 1 1 958 . 19 1 1 A 85 85 GLN H H 85 9.137 8.861 0.276 1 1 959 . 19 1 1 A 85 85 GLN HA H 85 5.457 4.672 0.785 1 1 966 . 19 1 1 A 85 85 GLN CA C 85 53.109 55.119 -2.010 1 1 967 . 19 1 1 A 85 85 GLN CB C 85 32.450 29.228 3.222 1 1 969 . 19 1 1 A 85 85 GLN N N 85 124.857 126.875 -2.018 1 1 971 . 19 1 1 A 86 86 GLY H H 86 9.090 8.882 0.208 1 1 972 . 19 1 1 A 86 86 GLY HA2 H 86 3.813 4.015 -0.202 1 1 973 . 19 1 1 A 86 86 GLY HA3 H 86 4.499 4.034 0.465 1 1 974 . 19 1 1 A 86 86 GLY CA C 86 44.877 45.688 -0.811 1 1 975 . 19 1 1 A 86 86 GLY N N 86 110.702 111.484 -0.782 1 1 976 . 19 1 1 A 87 87 GLU H H 87 8.128 9.123 -0.995 1 1 977 . 19 1 1 A 87 87 GLU HA H 87 4.472 4.259 0.213 1 1 982 . 19 1 1 A 87 87 GLU CA C 87 56.057 58.268 -2.211 1 1 983 . 19 1 1 A 87 87 GLU CB C 87 29.943 30.074 -0.131 1 1 985 . 19 1 1 A 87 87 GLU N N 87 120.445 123.955 -3.510 1 1 986 . 19 1 1 A 88 88 SER H H 88 8.063 7.818 0.245 1 1 987 . 19 1 1 A 88 88 SER HA H 88 4.469 4.700 -0.231 1 1 990 . 19 1 1 A 88 88 SER CA C 88 57.472 55.668 1.804 1 1 991 . 19 1 1 A 88 88 SER CB C 88 63.799 64.919 -1.120 1 1 992 . 19 1 1 A 88 88 SER N N 88 113.821 110.756 3.065 1 1 993 . 19 1 1 A 89 89 ASN H H 89 8.502 8.653 -0.151 1 1 994 . 19 1 1 A 89 89 ASN HA H 89 4.533 4.707 -0.174 1 1 999 . 19 1 1 A 89 89 ASN CA C 89 53.715 54.866 -1.151 1 1 1000 . 19 1 1 A 89 89 ASN CB C 89 38.212 39.337 -1.125 1 1 1001 . 19 1 1 A 89 89 ASN N N 89 119.482 121.301 -1.819 1 1 1003 . 19 1 1 A 90 90 ASP H H 90 8.104 7.704 0.400 1 1 1004 . 19 1 1 A 90 90 ASP HA H 90 5.061 4.816 0.245 1 1 1007 . 19 1 1 A 90 90 ASP CA C 90 51.392 52.646 -1.254 1 1 1008 . 19 1 1 A 90 90 ASP CB C 90 41.223 40.334 0.889 1 1 1009 . 19 1 1 A 90 90 ASP N N 90 119.891 119.004 0.887 1 1 1010 . 19 1 1 A 91 91 PRO HA H 91 4.156 4.644 -0.488 1 1 1017 . 19 1 1 A 91 91 PRO CA C 91 62.200 62.722 -0.522 1 1 1018 . 19 1 1 A 91 91 PRO CB C 91 30.844 31.809 -0.965 1 1 1021 . 19 1 1 A 92 92 LEU H H 92 8.206 8.363 -0.157 1 1 1022 . 19 1 1 A 92 92 LEU HA H 92 4.504 4.583 -0.079 1 1 1032 . 19 1 1 A 92 92 LEU CA C 92 52.697 53.048 -0.351 1 1 1033 . 19 1 1 A 92 92 LEU CB C 92 41.249 40.983 0.266 1 1 1037 . 19 1 1 A 92 92 LEU N N 92 123.954 123.791 0.163 1 1 1038 . 19 1 1 A 93 93 PRO HA H 93 4.808 4.658 0.150 1 1 1045 . 19 1 1 A 93 93 PRO CA C 93 61.122 62.260 -1.138 1 1 1046 . 19 1 1 A 93 93 PRO CB C 93 32.289 32.678 -0.389 1 1 1049 . 19 1 1 A 94 94 ALA H H 94 8.420 8.388 0.032 1 1 1050 . 19 1 1 A 94 94 ALA HA H 94 4.164 4.536 -0.372 1 1 1054 . 19 1 1 A 94 94 ALA CA C 94 52.655 52.117 0.538 1 1 1055 . 19 1 1 A 94 94 ALA CB C 94 18.563 20.049 -1.486 1 1 1056 . 19 1 1 A 94 94 ALA N N 94 120.368 123.170 -2.802 1 1 1057 . 19 1 1 A 95 95 PHE H H 95 7.961 7.679 0.282 1 1 1058 . 19 1 1 A 95 95 PHE HA H 95 5.489 5.703 -0.214 1 1 1066 . 19 1 1 A 95 95 PHE CA C 95 56.213 55.815 0.398 1 1 1067 . 19 1 1 A 95 95 PHE CB C 95 41.552 42.057 -0.505 1 1 1071 . 19 1 1 A 95 95 PHE N N 95 115.209 116.309 -1.100 1 1 1072 . 19 1 1 A 96 96 SER H H 96 9.231 9.004 0.227 1 1 1073 . 19 1 1 A 96 96 SER HA H 96 5.427 5.161 0.266 1 1 1076 . 19 1 1 A 96 96 SER CA C 96 55.549 56.300 -0.751 1 1 1077 . 19 1 1 A 96 96 SER CB C 96 66.681 66.210 0.471 1 1 1078 . 19 1 1 A 96 96 SER N N 96 114.106 114.145 -0.039 1 1 1079 . 19 1 1 A 97 97 GLY H H 97 8.269 8.479 -0.210 1 1 1080 . 19 1 1 A 97 97 GLY HA2 H 97 4.612 4.253 0.359 1 1 1081 . 19 1 1 A 97 97 GLY HA3 H 97 3.571 4.277 -0.706 1 1 1082 . 19 1 1 A 97 97 GLY CA C 97 45.139 46.281 -1.142 1 1 1083 . 19 1 1 A 97 97 GLY N N 97 104.730 107.598 -2.868 1 1 1084 . 19 1 1 A 98 98 THR H H 98 8.068 8.431 -0.363 1 1 1085 . 19 1 1 A 98 98 THR HA H 98 4.836 5.351 -0.515 1 1 1090 . 19 1 1 A 98 98 THR CA C 98 62.462 61.214 1.248 1 1 1091 . 19 1 1 A 98 98 THR CB C 98 70.240 72.389 -2.149 1 1 1093 . 19 1 1 A 98 98 THR N N 98 115.596 114.911 0.685 1 1 1094 . 19 1 1 A 99 99 VAL H H 99 9.016 9.337 -0.321 1 1 1095 . 19 1 1 A 99 99 VAL HA H 99 5.040 5.384 -0.344 1 1 1103 . 19 1 1 A 99 99 VAL CA C 99 59.695 59.389 0.306 1 1 1104 . 19 1 1 A 99 99 VAL CB C 99 33.810 34.416 -0.606 1 1 1107 . 19 1 1 A 99 99 VAL N N 99 124.571 125.446 -0.875 1 1 1108 . 19 1 1 A 100 100 GLU H H 100 9.595 9.340 0.255 1 1 1109 . 19 1 1 A 100 100 GLU HA H 100 5.463 4.874 0.589 1 1 1114 . 19 1 1 A 100 100 GLU CA C 100 53.132 55.668 -2.536 1 1 1115 . 19 1 1 A 100 100 GLU CB C 100 31.806 30.729 1.077 1 1 1117 . 19 1 1 A 100 100 GLU N N 100 125.607 127.603 -1.996 1 1 1118 . 19 1 1 A 101 101 TYR H H 101 8.576 8.893 -0.317 1 1 1119 . 19 1 1 A 101 101 TYR HA H 101 4.568 5.600 -1.032 1 1 1126 . 19 1 1 A 101 101 TYR CA C 101 54.809 55.130 -0.321 1 1 1127 . 19 1 1 A 101 101 TYR CB C 101 39.516 41.204 -1.688 1 1 1130 . 19 1 1 A 101 101 TYR N N 101 117.224 122.130 -4.906 1 1 1131 . 19 1 1 A 102 102 GLY H H 102 6.489 7.431 -0.942 1 1 1132 . 19 1 1 A 102 102 GLY HA2 H 102 3.948 4.200 -0.252 1 1 1133 . 19 1 1 A 102 102 GLY HA3 H 102 4.190 4.201 -0.011 1 1 1134 . 19 1 1 A 102 102 GLY CA C 102 46.509 45.976 0.533 1 1 1135 . 19 1 1 A 102 102 GLY N N 102 103.890 106.505 -2.615 1 1 1136 . 19 1 1 A 103 103 GLN H H 103 8.789 8.862 -0.073 1 1 1137 . 19 1 1 A 103 103 GLN HA H 103 4.893 5.376 -0.483 1 1 1144 . 19 1 1 A 103 103 GLN CA C 103 54.742 54.194 0.548 1 1 1145 . 19 1 1 A 103 103 GLN CB C 103 31.972 32.891 -0.919 1 1 1147 . 19 1 1 A 103 103 GLN N N 103 121.055 120.778 0.277 1 1 1149 . 19 1 1 A 104 104 ILE H H 104 8.877 9.052 -0.175 1 1 1150 . 19 1 1 A 104 104 ILE HA H 104 5.033 4.765 0.268 1 1 1160 . 19 1 1 A 104 104 ILE CA C 104 59.495 60.722 -1.227 1 1 1161 . 19 1 1 A 104 104 ILE CB C 104 40.485 40.622 -0.137 1 1 1165 . 19 1 1 A 104 104 ILE N N 104 119.483 121.670 -2.187 1 1 1166 . 19 1 1 A 105 105 GLN H H 105 8.807 8.803 0.004 1 1 1167 . 19 1 1 A 105 105 GLN HA H 105 4.785 4.391 0.394 1 1 1174 . 19 1 1 A 105 105 GLN CA C 105 53.586 56.398 -2.812 1 1 1175 . 19 1 1 A 105 105 GLN CB C 105 32.029 29.195 2.834 1 1 1177 . 19 1 1 A 105 105 GLN N N 105 126.014 124.082 1.932 1 1 1179 . 19 1 1 A 106 106 GLY H H 106 8.680 7.822 0.858 1 1 1180 . 19 1 1 A 106 106 GLY HA2 H 106 4.878 4.058 0.820 1 1 1181 . 19 1 1 A 106 106 GLY HA3 H 106 3.898 4.088 -0.190 1 1 1182 . 19 1 1 A 106 106 GLY CA C 106 43.994 44.481 -0.487 1 1 1183 . 19 1 1 A 106 106 GLY N N 106 111.899 109.631 2.268 1 1 1184 . 19 1 1 A 107 107 THR H H 107 7.984 8.660 -0.676 1 1 1185 . 19 1 1 A 107 107 THR HA H 107 4.571 4.638 -0.067 1 1 1190 . 19 1 1 A 107 107 THR CA C 107 59.611 60.955 -1.344 1 1 1191 . 19 1 1 A 107 107 THR CB C 107 71.146 70.869 0.277 1 1 1193 . 19 1 1 A 107 107 THR N N 107 111.498 111.292 0.206 1 1 1194 . 19 1 1 A 108 108 ILE H H 108 8.345 8.812 -0.467 1 1 1195 . 19 1 1 A 108 108 ILE HA H 108 3.775 3.727 0.048 1 1 1205 . 19 1 1 A 108 108 ILE CA C 108 62.916 64.082 -1.166 1 1 1206 . 19 1 1 A 108 108 ILE CB C 108 37.737 37.271 0.466 1 1 1210 . 19 1 1 A 108 108 ILE N N 108 117.576 121.742 -4.166 1 1 1211 . 19 1 1 A 109 109 ASP H H 109 7.753 7.510 0.243 1 1 1212 . 19 1 1 A 109 109 ASP HA H 109 4.564 4.694 -0.130 1 1 1215 . 19 1 1 A 109 109 ASP CA C 109 54.540 55.963 -1.423 1 1 1216 . 19 1 1 A 109 109 ASP CB C 109 41.360 42.034 -0.674 1 1 1217 . 19 1 1 A 109 109 ASP N N 109 116.045 120.916 -4.871 1 1 1218 . 19 1 1 A 110 110 ASN H H 110 7.719 7.949 -0.230 1 1 1219 . 19 1 1 A 110 110 ASN HA H 110 4.723 4.925 -0.202 1 1 1224 . 19 1 1 A 110 110 ASN CA C 110 53.036 51.606 1.430 1 1 1225 . 19 1 1 A 110 110 ASN CB C 110 38.443 39.569 -1.126 1 1 1226 . 19 1 1 A 110 110 ASN N N 110 119.075 114.253 4.822 1 1 1228 . 19 1 1 A 111 111 PHE H H 111 7.977 8.226 -0.249 1 1 1229 . 19 1 1 A 111 111 PHE HA H 111 5.249 5.725 -0.476 1 1 1237 . 19 1 1 A 111 111 PHE CA C 111 56.627 54.803 1.824 1 1 1238 . 19 1 1 A 111 111 PHE CB C 111 40.215 42.543 -2.328 1 1 1242 . 19 1 1 A 111 111 PHE N N 111 122.138 119.702 2.436 1 1 1243 . 19 1 1 A 112 112 GLN H H 112 8.715 8.645 0.070 1 1 1244 . 19 1 1 A 112 112 GLN HA H 112 4.540 4.803 -0.263 1 1 1251 . 19 1 1 A 112 112 GLN CA C 112 54.035 54.019 0.016 1 1 1252 . 19 1 1 A 112 112 GLN CB C 112 31.861 31.528 0.333 1 1 1254 . 19 1 1 A 112 112 GLN N N 112 119.575 119.289 0.286 1 1 1256 . 19 1 1 A 113 113 GLU H H 113 8.546 8.795 -0.249 1 1 1257 . 19 1 1 A 113 113 GLU HA H 113 4.780 4.560 0.220 1 1 1262 . 19 1 1 A 113 113 GLU CA C 113 55.412 56.484 -1.072 1 1 1263 . 19 1 1 A 113 113 GLU CB C 113 29.886 29.786 0.100 1 1 1265 . 19 1 1 A 113 113 GLU N N 113 122.846 123.559 -0.713 1 1 1266 . 19 1 1 A 114 114 ILE H H 114 8.913 8.352 0.561 1 1 1267 . 19 1 1 A 114 114 ILE HA H 114 4.662 4.632 0.030 1 1 1277 . 19 1 1 A 114 114 ILE CA C 114 59.144 59.719 -0.575 1 1 1278 . 19 1 1 A 114 114 ILE CB C 114 41.873 40.528 1.345 1 1 1282 . 19 1 1 A 114 114 ILE N N 114 120.222 121.272 -1.050 1 1 1283 . 19 1 1 A 115 115 ASN H H 115 8.916 8.807 0.109 1 1 1284 . 19 1 1 A 115 115 ASN HA H 115 4.340 4.249 0.091 1 1 1289 . 19 1 1 A 115 115 ASN CA C 115 53.444 54.247 -0.803 1 1 1290 . 19 1 1 A 115 115 ASN CB C 115 36.467 37.077 -0.610 1 1 1291 . 19 1 1 A 115 115 ASN N N 115 120.916 118.785 2.131 1 1 1293 . 19 1 1 A 116 116 VAL H H 116 8.044 7.873 0.171 1 1 1294 . 19 1 1 A 116 116 VAL HA H 116 4.389 4.480 -0.091 1 1 1302 . 19 1 1 A 116 116 VAL CA C 116 63.183 61.448 1.735 1 1 1303 . 19 1 1 A 116 116 VAL CB C 116 32.216 32.585 -0.369 1 1 1306 . 19 1 1 A 116 116 VAL N N 116 117.046 119.218 -2.172 1 1 1307 . 19 1 1 A 117 117 GLN H H 117 8.582 8.563 0.019 1 1 1308 . 19 1 1 A 117 117 GLN HA H 117 4.550 4.796 -0.246 1 1 1315 . 19 1 1 A 117 117 GLN CA C 117 53.827 54.066 -0.239 1 1 1316 . 19 1 1 A 117 117 GLN CB C 117 33.119 31.998 1.121 1 1 1318 . 19 1 1 A 117 117 GLN N N 117 127.086 126.573 0.513 1 1 1320 . 19 1 1 A 118 118 ASN H H 118 8.330 8.746 -0.416 1 1 1321 . 19 1 1 A 118 118 ASN HA H 118 5.845 6.007 -0.162 1 1 1326 . 19 1 1 A 118 118 ASN CA C 118 51.736 51.582 0.154 1 1 1327 . 19 1 1 A 118 118 ASN CB C 118 42.644 40.670 1.974 1 1 1328 . 19 1 1 A 118 118 ASN N N 118 113.251 117.838 -4.587 1 1 1330 . 19 1 1 A 119 119 GLN H H 119 9.187 9.080 0.107 1 1 1331 . 19 1 1 A 119 119 GLN HA H 119 4.693 5.086 -0.393 1 1 1338 . 19 1 1 A 119 119 GLN CA C 119 55.160 54.280 0.880 1 1 1339 . 19 1 1 A 119 119 GLN CB C 119 34.157 32.360 1.797 1 1 1341 . 19 1 1 A 119 119 GLN N N 119 116.799 123.429 -6.630 1 1 1343 . 19 1 1 A 120 120 LEU H H 120 8.544 8.887 -0.343 1 1 1344 . 19 1 1 A 120 120 LEU HA H 120 5.059 4.843 0.216 1 1 1354 . 19 1 1 A 120 120 LEU CA C 120 54.327 54.092 0.235 1 1 1355 . 19 1 1 A 120 120 LEU CB C 120 42.839 41.344 1.495 1 1 1359 . 19 1 1 A 120 120 LEU N N 120 123.292 126.586 -3.294 1 1 1360 . 19 1 1 A 121 121 ILE H H 121 8.657 8.450 0.207 1 1 1361 . 19 1 1 A 121 121 ILE HA H 121 4.778 4.732 0.046 1 1 1371 . 19 1 1 A 121 121 ILE CA C 121 58.770 59.827 -1.057 1 1 1372 . 19 1 1 A 121 121 ILE CB C 121 41.582 39.179 2.403 1 1 1376 . 19 1 1 A 121 121 ILE N N 121 116.046 122.650 -6.604 1 1 1377 . 19 1 1 A 122 122 ASN H H 122 8.329 8.775 -0.446 1 1 1378 . 19 1 1 A 122 122 ASN HA H 122 5.068 5.408 -0.340 1 1 1383 . 19 1 1 A 122 122 ASN CA C 122 52.654 51.725 0.929 1 1 1384 . 19 1 1 A 122 122 ASN CB C 122 42.112 42.574 -0.462 1 1 1385 . 19 1 1 A 122 122 ASN N N 122 118.416 121.056 -2.640 1 1 1387 . 19 1 1 A 123 123 ALA H H 123 8.547 8.085 0.462 1 1 1388 . 19 1 1 A 123 123 ALA HA H 123 4.597 4.670 -0.073 1 1 1392 . 19 1 1 A 123 123 ALA CA C 123 48.537 49.262 -0.725 1 1 1393 . 19 1 1 A 123 123 ALA CB C 123 19.998 21.652 -1.654 1 1 1394 . 19 1 1 A 123 123 ALA N N 123 124.108 122.240 1.868 1 1 1395 . 19 1 1 A 124 124 PRO HA H 124 4.537 4.519 0.018 1 1 1402 . 19 1 1 A 124 124 PRO CA C 124 60.979 62.473 -1.494 1 1 1403 . 19 1 1 A 124 124 PRO CB C 124 32.285 32.319 -0.034 1 1 1406 . 19 1 1 A 125 125 ALA H H 125 8.587 8.210 0.377 1 1 1407 . 19 1 1 A 125 125 ALA HA H 125 3.899 4.446 -0.547 1 1 1411 . 19 1 1 A 125 125 ALA CA C 125 52.692 52.314 0.378 1 1 1412 . 19 1 1 A 125 125 ALA CB C 125 18.631 19.408 -0.777 1 1 1413 . 19 1 1 A 125 125 ALA N N 125 121.333 124.661 -3.328 1 1 1414 . 19 1 1 A 126 126 SER H H 126 8.227 9.146 -0.919 1 1 1415 . 19 1 1 A 126 126 SER HA H 126 4.616 4.503 0.113 1 1 1418 . 19 1 1 A 126 126 SER CA C 126 59.168 57.530 1.638 1 1 1419 . 19 1 1 A 126 126 SER CB C 126 64.636 60.669 3.967 1 1 1420 . 19 1 1 A 126 126 SER N N 126 118.947 118.752 0.195 1 1 1421 . 19 1 1 A 127 127 VAL H H 127 8.595 8.225 0.370 1 1 1422 . 19 1 1 A 127 127 VAL HA H 127 4.276 3.881 0.395 1 1 1430 . 19 1 1 A 127 127 VAL CA C 127 62.194 65.831 -3.637 1 1 1431 . 19 1 1 A 127 127 VAL CB C 127 32.852 32.039 0.813 1 1 1434 . 19 1 1 A 127 127 VAL N N 127 117.209 126.753 -9.544 1 1 1435 . 19 1 1 A 128 128 LEU H H 128 7.844 7.509 0.335 1 1 1436 . 19 1 1 A 128 128 LEU HA H 128 4.588 4.566 0.022 1 1 1446 . 19 1 1 A 128 128 LEU CA C 128 53.639 53.402 0.237 1 1 1447 . 19 1 1 A 128 128 LEU CB C 128 44.574 43.864 0.710 1 1 1451 . 19 1 1 A 128 128 LEU N N 128 121.103 118.835 2.268 1 1 1452 . 19 1 1 A 129 129 ALA H H 129 8.377 8.666 -0.289 1 1 1453 . 19 1 1 A 129 129 ALA HA H 129 4.538 4.799 -0.261 1 1 1457 . 19 1 1 A 129 129 ALA CA C 129 53.476 49.564 3.912 1 1 1458 . 19 1 1 A 129 129 ALA CB C 129 20.982 22.158 -1.176 1 1 1459 . 19 1 1 A 129 129 ALA N N 129 123.679 123.033 0.646 1 1 1460 . 19 1 1 A 130 130 PRO HA H 130 4.669 4.739 -0.070 1 1 1467 . 19 1 1 A 130 130 PRO CA C 130 62.314 62.325 -0.011 1 1 1468 . 19 1 1 A 130 130 PRO CB C 130 33.473 32.673 0.800 1 1 1471 . 19 1 1 A 131 131 SER H H 131 9.365 8.455 0.910 1 1 1472 . 19 1 1 A 131 131 SER HA H 131 4.520 4.581 -0.061 1 1 1475 . 19 1 1 A 131 131 SER CA C 131 59.385 57.613 1.772 1 1 1476 . 19 1 1 A 131 131 SER CB C 131 63.866 62.566 1.300 1 1 1477 . 19 1 1 A 131 131 SER N N 131 122.226 117.483 4.743 1 1 1478 . 19 1 1 A 132 132 ASP H H 132 8.608 8.639 -0.031 1 1 1479 . 19 1 1 A 132 132 ASP HA H 132 5.260 5.141 0.119 1 1 1482 . 19 1 1 A 132 132 ASP CA C 132 53.345 52.636 0.709 1 1 1483 . 19 1 1 A 132 132 ASP CB C 132 41.791 41.360 0.431 1 1 1484 . 19 1 1 A 132 132 ASP N N 132 124.814 128.664 -3.850 1 1 1485 . 19 1 1 A 133 133 VAL H H 133 9.405 8.837 0.568 1 1 1486 . 19 1 1 A 133 133 VAL HA H 133 4.226 4.889 -0.663 1 1 1494 . 19 1 1 A 133 133 VAL CA C 133 61.669 60.573 1.096 1 1 1495 . 19 1 1 A 133 133 VAL CB C 133 34.448 34.068 0.380 1 1 1498 . 19 1 1 A 133 133 VAL N N 133 127.192 124.891 2.301 1 1 1499 . 19 1 1 A 134 134 ASP H H 134 8.468 9.128 -0.660 1 1 1500 . 19 1 1 A 134 134 ASP HA H 134 5.368 5.534 -0.166 1 1 1503 . 19 1 1 A 134 134 ASP CA C 134 52.326 53.397 -1.071 1 1 1504 . 19 1 1 A 134 134 ASP CB C 134 41.245 43.089 -1.844 1 1 1505 . 19 1 1 A 134 134 ASP N N 134 127.161 123.512 3.649 1 1 1506 . 19 1 1 A 135 135 ILE H H 135 9.406 9.059 0.347 1 1 1507 . 19 1 1 A 135 135 ILE HA H 135 4.636 4.875 -0.239 1 1 1517 . 19 1 1 A 135 135 ILE CA C 135 57.478 57.105 0.373 1 1 1518 . 19 1 1 A 135 135 ILE CB C 135 39.411 40.060 -0.649 1 1 1522 . 19 1 1 A 135 135 ILE N N 135 125.603 119.919 5.684 1 1 1523 . 19 1 1 A 136 136 PRO HA H 136 4.844 4.897 -0.053 1 1 1530 . 19 1 1 A 136 136 PRO CA C 136 62.314 62.420 -0.106 1 1 1531 . 19 1 1 A 136 136 PRO CB C 136 31.563 31.723 -0.160 1 1 1534 . 19 1 1 A 137 137 LEU H H 137 9.196 8.641 0.555 1 1 1535 . 19 1 1 A 137 137 LEU HA H 137 4.739 4.868 -0.129 1 1 1545 . 19 1 1 A 137 137 LEU CA C 137 53.609 53.623 -0.014 1 1 1546 . 19 1 1 A 137 137 LEU CB C 137 45.473 43.971 1.502 1 1 1550 . 19 1 1 A 137 137 LEU N N 137 124.087 123.720 0.367 1 1 1551 . 19 1 1 A 138 138 GLN H H 138 8.928 8.981 -0.053 1 1 1552 . 19 1 1 A 138 138 GLN HA H 138 4.581 4.742 -0.161 1 1 1559 . 19 1 1 A 138 138 GLN CA C 138 54.780 54.476 0.304 1 1 1560 . 19 1 1 A 138 138 GLN CB C 138 29.048 30.030 -0.982 1 1 1562 . 19 1 1 A 138 138 GLN N N 138 122.528 127.649 -5.121 1 1 1564 . 19 1 1 A 139 139 LEU H H 139 9.039 8.984 0.055 1 1 1565 . 19 1 1 A 139 139 LEU HA H 139 4.205 4.527 -0.322 1 1 1575 . 19 1 1 A 139 139 LEU CA C 139 52.367 53.443 -1.076 1 1 1576 . 19 1 1 A 139 139 LEU CB C 139 38.673 42.984 -4.311 1 1 1580 . 19 1 1 A 139 139 LEU N N 139 127.667 128.156 -0.489 1 1 1581 . 19 1 1 A 140 140 LYS H H 140 8.078 8.576 -0.498 1 1 1582 . 19 1 1 A 140 140 LYS HA H 140 4.352 4.635 -0.283 1 1 1591 . 19 1 1 A 140 140 LYS CA C 140 56.826 55.034 1.792 1 1 1592 . 19 1 1 A 140 140 LYS CB C 140 32.657 34.647 -1.990 1 1 1596 . 19 1 1 A 140 140 LYS N N 140 124.108 122.401 1.707 1 1 1597 . 19 1 1 A 141 141 GLY H H 141 9.166 9.164 0.002 1 1 1598 . 19 1 1 A 141 141 GLY HA2 H 141 3.788 3.938 -0.150 1 1 1599 . 19 1 1 A 141 141 GLY HA3 H 141 4.119 3.955 0.164 1 1 1600 . 19 1 1 A 141 141 GLY CA C 141 45.682 46.276 -0.594 1 1 1601 . 19 1 1 A 141 141 GLY N N 141 110.698 111.595 -0.897 1 1 1602 . 19 1 1 A 142 142 ILE H H 142 7.112 7.850 -0.738 1 1 1603 . 19 1 1 A 142 142 ILE HA H 142 4.600 4.717 -0.117 1 1 1613 . 19 1 1 A 142 142 ILE CA C 142 58.547 60.039 -1.492 1 1 1614 . 19 1 1 A 142 142 ILE CB C 142 40.437 41.761 -1.324 1 1 1618 . 19 1 1 A 142 142 ILE N N 142 117.928 120.441 -2.513 1 1 1619 . 19 1 1 A 143 143 SER H H 143 8.381 9.008 -0.627 1 1 1620 . 19 1 1 A 143 143 SER HA H 143 4.613 4.499 0.114 1 1 1623 . 19 1 1 A 143 143 SER CA C 143 56.654 58.836 -2.182 1 1 1624 . 19 1 1 A 143 143 SER CB C 143 65.051 63.883 1.168 1 1 1625 . 19 1 1 A 143 143 SER N N 143 123.373 125.416 -2.043 1 1 1626 . 19 1 1 A 144 144 VAL H H 144 8.702 8.586 0.116 1 1 1627 . 19 1 1 A 144 144 VAL HA H 144 3.593 3.885 -0.292 1 1 1635 . 19 1 1 A 144 144 VAL CA C 144 65.655 65.015 0.640 1 1 1636 . 19 1 1 A 144 144 VAL CB C 144 31.434 31.878 -0.444 1 1 1639 . 19 1 1 A 144 144 VAL N N 144 120.791 126.484 -5.693 1 1 1640 . 19 1 1 A 145 145 ASP H H 145 8.151 8.180 -0.029 1 1 1641 . 19 1 1 A 145 145 ASP HA H 145 4.435 4.432 0.003 1 1 1644 . 19 1 1 A 145 145 ASP CA C 145 55.211 57.033 -1.822 1 1 1645 . 19 1 1 A 145 145 ASP CB C 145 40.268 41.116 -0.848 1 1 1646 . 19 1 1 A 145 145 ASP N N 145 115.698 121.109 -5.411 1 1 1647 . 19 1 1 A 146 146 GLN H H 146 7.553 7.759 -0.206 1 1 1648 . 19 1 1 A 146 146 GLN HA H 146 4.302 4.427 -0.125 1 1 1655 . 19 1 1 A 146 146 GLN CA C 146 55.072 54.974 0.098 1 1 1656 . 19 1 1 A 146 146 GLN CB C 146 29.990 29.444 0.546 1 1 1658 . 19 1 1 A 146 146 GLN N N 146 117.118 115.503 1.615 1 1 1660 . 19 1 1 A 147 147 LEU H H 147 7.368 7.376 -0.008 1 1 1661 . 19 1 1 A 147 147 LEU HA H 147 4.119 4.349 -0.230 1 1 1671 . 19 1 1 A 147 147 LEU CA C 147 54.904 54.794 0.110 1 1 1672 . 19 1 1 A 147 147 LEU CB C 147 40.355 41.492 -1.137 1 1 1676 . 19 1 1 A 147 147 LEU N N 147 121.541 122.471 -0.930 1 1 1677 . 19 1 1 A 148 148 GLY H H 148 8.791 8.771 0.020 1 1 1678 . 19 1 1 A 148 148 GLY HA2 H 148 4.512 3.973 0.539 1 1 1679 . 19 1 1 A 148 148 GLY HA3 H 148 3.997 4.051 -0.054 1 1 1680 . 19 1 1 A 148 148 GLY CA C 148 45.610 46.942 -1.332 1 1 1681 . 19 1 1 A 148 148 GLY N N 148 116.322 113.318 3.004 1 1 1682 . 19 1 1 A 149 149 PHE H H 149 7.790 7.642 0.148 1 1 1683 . 19 1 1 A 149 149 PHE HA H 149 5.215 5.250 -0.035 1 1 1691 . 19 1 1 A 149 149 PHE CA C 149 56.942 56.198 0.744 1 1 1692 . 19 1 1 A 149 149 PHE CB C 149 42.019 42.434 -0.415 1 1 1696 . 19 1 1 A 149 149 PHE N N 149 113.675 113.117 0.558 1 1 1697 . 19 1 1 A 150 150 VAL H H 150 8.549 9.110 -0.561 1 1 1698 . 19 1 1 A 150 150 VAL HA H 150 4.776 4.681 0.095 1 1 1706 . 19 1 1 A 150 150 VAL CA C 150 61.068 61.419 -0.351 1 1 1707 . 19 1 1 A 150 150 VAL CB C 150 34.594 33.953 0.641 1 1 1710 . 19 1 1 A 150 150 VAL N N 150 118.208 120.157 -1.949 1 1 1711 . 19 1 1 A 151 151 ARG H H 151 9.953 9.535 0.418 1 1 1712 . 19 1 1 A 151 151 ARG HA H 151 5.783 5.306 0.477 1 1 1719 . 19 1 1 A 151 151 ARG CA C 151 53.530 55.010 -1.480 1 1 1720 . 19 1 1 A 151 151 ARG CB C 151 33.540 32.249 1.291 1 1 1723 . 19 1 1 A 151 151 ARG N N 151 128.446 129.048 -0.602 1 1 1724 . 19 1 1 A 152 152 ILE H H 152 8.905 8.593 0.312 1 1 1725 . 19 1 1 A 152 152 ILE HA H 152 5.188 4.862 0.326 1 1 1735 . 19 1 1 A 152 152 ILE CA C 152 60.464 60.472 -0.008 1 1 1736 . 19 1 1 A 152 152 ILE CB C 152 39.542 38.607 0.935 1 1 1740 . 19 1 1 A 152 152 ILE N N 152 127.149 128.606 -1.457 1 1 1741 . 19 1 1 A 153 153 HIS H H 153 8.941 8.599 0.342 1 1 1742 . 19 1 1 A 153 153 HIS HA H 153 5.074 4.896 0.178 1 1 1747 . 19 1 1 A 153 153 HIS CA C 153 53.417 54.635 -1.218 1 1 1748 . 19 1 1 A 153 153 HIS CB C 153 31.734 32.224 -0.490 1 1 1751 . 19 1 1 A 153 153 HIS N N 153 119.132 123.184 -4.052 1 1 1752 . 19 1 1 A 154 154 ASP H H 154 9.109 8.815 0.294 1 1 1753 . 19 1 1 A 154 154 ASP HA H 154 4.276 4.093 0.183 1 1 1756 . 19 1 1 A 154 154 ASP CA C 154 55.630 55.421 0.209 1 1 1757 . 19 1 1 A 154 154 ASP CB C 154 39.450 39.163 0.287 1 1 1758 . 19 1 1 A 154 154 ASP N N 154 116.420 116.440 -0.020 1 1 1759 . 19 1 1 A 155 155 ILE H H 155 8.062 8.063 -0.001 1 1 1760 . 19 1 1 A 155 155 ILE HA H 155 5.051 4.532 0.519 1 1 1770 . 19 1 1 A 155 155 ILE CA C 155 59.666 62.201 -2.535 1 1 1771 . 19 1 1 A 155 155 ILE CB C 155 35.757 37.671 -1.914 1 1 1775 . 19 1 1 A 155 155 ILE N N 155 119.131 119.495 -0.364 1 1 1776 . 19 1 1 A 156 156 GLN H H 156 9.011 9.145 -0.134 1 1 1777 . 19 1 1 A 156 156 GLN HA H 156 4.993 4.981 0.012 1 1 1784 . 19 1 1 A 156 156 GLN CA C 156 51.975 52.780 -0.805 1 1 1785 . 19 1 1 A 156 156 GLN CB C 156 31.210 31.771 -0.561 1 1 1787 . 19 1 1 A 156 156 GLN N N 156 127.177 124.435 2.742 1 1 1789 . 19 1 1 A 157 157 PRO HA H 157 4.964 4.983 -0.019 1 1 1796 . 19 1 1 A 157 157 PRO CA C 157 61.770 62.664 -0.894 1 1 1797 . 19 1 1 A 157 157 PRO CB C 157 31.637 31.855 -0.218 1 1 1800 . 19 1 1 A 158 158 VAL H H 158 7.921 8.570 -0.649 1 1 1801 . 19 1 1 A 158 158 VAL HA H 158 4.107 4.622 -0.515 1 1 1809 . 19 1 1 A 158 158 VAL CA C 158 62.234 60.573 1.661 1 1 1810 . 19 1 1 A 158 158 VAL CB C 158 32.610 33.785 -1.175 1 1 1813 . 19 1 1 A 158 158 VAL N N 158 121.642 122.810 -1.168 1 1 1814 . 19 1 1 A 159 159 MET H H 159 8.544 8.907 -0.363 1 1 1815 . 19 1 1 A 159 159 MET HA H 159 4.548 5.041 -0.493 1 1 1820 . 19 1 1 A 159 159 MET CA C 159 54.731 53.978 0.753 1 1 1821 . 19 1 1 A 159 159 MET CB C 159 32.547 35.611 -3.064 1 1 1823 . 19 1 1 A 159 159 MET N N 159 124.452 125.217 -0.765 1 1 1824 . 19 1 1 A 160 160 GLN H H 160 8.434 8.374 0.060 1 1 1825 . 19 1 1 A 160 160 GLN HA H 160 4.354 4.200 0.154 1 1 1832 . 19 1 1 A 160 160 GLN CA C 160 55.399 56.138 -0.739 1 1 1833 . 19 1 1 A 160 160 GLN CB C 160 29.112 29.034 0.078 1 1 1835 . 19 1 1 A 160 160 GLN N N 160 121.917 119.182 2.735 1 1 1837 . 19 1 1 A 161 161 LEU H H 161 8.325 8.594 -0.269 1 1 1838 . 19 1 1 A 161 161 LEU HA H 161 4.314 4.508 -0.194 1 1 1848 . 19 1 1 A 161 161 LEU CA C 161 55.040 54.445 0.595 1 1 1849 . 19 1 1 A 161 161 LEU CB C 161 42.225 40.405 1.820 1 1 1853 . 19 1 1 A 161 161 LEU N N 161 123.826 125.177 -1.351 1 1 1854 . 19 1 1 A 162 162 GLU H H 162 8.358 8.372 -0.014 1 1 1855 . 19 1 1 A 162 162 GLU HA H 162 4.216 4.403 -0.187 1 1 1860 . 19 1 1 A 162 162 GLU CA C 162 56.343 55.771 0.572 1 1 1861 . 19 1 1 A 162 162 GLU CB C 162 30.083 30.164 -0.081 1 1 1863 . 19 1 1 A 162 162 GLU N N 162 121.293 124.019 -2.726 1 1 1864 . 19 1 1 A 163 163 HIS H H 163 8.376 8.079 0.297 1 1 1865 . 19 1 1 A 163 163 HIS HA H 163 4.641 4.481 0.160 1 1 1868 . 19 1 1 A 163 163 HIS CA C 163 55.437 57.261 -1.824 1 1 1869 . 19 1 1 A 163 163 HIS CB C 163 29.412 29.764 -0.352 1 1 1870 . 19 1 1 A 163 163 HIS N N 163 121.307 122.468 -1.161 1 1 1871 . 19 1 1 A 164 164 HIS H H 164 8.289 8.817 -0.528 1 1 1872 . 19 1 1 A 164 164 HIS N N 164 125.228 123.749 1.479 1 1 1873 . 19 1 1 A 166 166 HIS HA H 166 4.300 4.531 -0.231 1 1 1876 . 19 1 1 A 166 166 HIS CA C 166 55.708 56.370 -0.662 1 1 1877 . 19 1 1 A 166 166 HIS CB C 166 29.207 29.947 -0.740 1 1 1878 . 19 1 1 A 167 167 HIS H H 167 8.591 9.055 -0.464 1 1 1879 . 19 1 1 A 167 167 HIS HA H 167 4.541 3.965 0.576 1 1 1882 . 19 1 1 A 167 167 HIS CA C 167 54.678 56.678 -2.000 1 1 1883 . 19 1 1 A 167 167 HIS CB C 167 26.256 28.163 -1.907 1 1 1884 . 19 1 1 A 167 167 HIS N N 167 121.317 119.301 2.016 1 1 1 . 20 1 1 A 2 2 VAL HA H 2 3.850 4.906 -1.056 1 1 9 . 20 1 1 A 2 2 VAL CA C 2 61.400 59.863 1.537 1 1 10 . 20 1 1 A 2 2 VAL CB C 2 32.400 33.754 -1.354 1 1 13 . 20 1 1 A 3 3 GLN HA H 3 4.445 4.683 -0.238 1 1 18 . 20 1 1 A 3 3 GLN CA C 3 55.467 55.887 -0.420 1 1 19 . 20 1 1 A 3 3 GLN CB C 3 29.271 29.979 -0.708 1 1 21 . 20 1 1 A 4 4 GLN H H 4 8.703 8.715 -0.012 1 1 22 . 20 1 1 A 4 4 GLN HA H 4 4.356 4.968 -0.612 1 1 27 . 20 1 1 A 4 4 GLN CA C 4 55.961 55.341 0.620 1 1 28 . 20 1 1 A 4 4 GLN CB C 4 29.178 30.895 -1.717 1 1 30 . 20 1 1 A 4 4 GLN N N 4 123.281 126.389 -3.108 1 1 31 . 20 1 1 A 5 5 SER H H 5 8.426 8.562 -0.136 1 1 32 . 20 1 1 A 5 5 SER HA H 5 4.424 4.952 -0.528 1 1 35 . 20 1 1 A 5 5 SER CA C 5 58.498 57.551 0.947 1 1 36 . 20 1 1 A 5 5 SER CB C 5 63.534 66.878 -3.344 1 1 37 . 20 1 1 A 5 5 SER N N 5 116.845 114.950 1.895 1 1 38 . 20 1 1 A 6 6 GLU H H 6 8.434 8.584 -0.150 1 1 39 . 20 1 1 A 6 6 GLU HA H 6 4.342 4.998 -0.656 1 1 44 . 20 1 1 A 6 6 GLU CA C 6 56.410 54.706 1.704 1 1 45 . 20 1 1 A 6 6 GLU CB C 6 29.873 33.048 -3.175 1 1 47 . 20 1 1 A 6 6 GLU N N 6 122.965 121.528 1.437 1 1 48 . 20 1 1 A 7 7 VAL H H 7 8.131 8.938 -0.807 1 1 49 . 20 1 1 A 7 7 VAL HA H 7 4.063 4.937 -0.874 1 1 57 . 20 1 1 A 7 7 VAL CA C 7 62.213 60.687 1.526 1 1 58 . 20 1 1 A 7 7 VAL CB C 7 32.391 33.628 -1.237 1 1 61 . 20 1 1 A 7 7 VAL N N 7 121.508 119.250 2.258 1 1 62 . 20 1 1 A 8 8 ARG H H 8 8.376 8.801 -0.425 1 1 63 . 20 1 1 A 8 8 ARG HA H 8 4.335 4.945 -0.610 1 1 70 . 20 1 1 A 8 8 ARG CA C 8 56.013 53.934 2.079 1 1 71 . 20 1 1 A 8 8 ARG CB C 8 30.528 33.922 -3.394 1 1 74 . 20 1 1 A 8 8 ARG N N 8 124.504 125.083 -0.579 1 1 75 . 20 1 1 A 9 9 GLN H H 9 8.360 8.360 0.000 1 1 76 . 20 1 1 A 9 9 GLN HA H 9 4.353 4.434 -0.081 1 1 81 . 20 1 1 A 9 9 GLN CA C 9 55.446 55.390 0.056 1 1 82 . 20 1 1 A 9 9 GLN CB C 9 29.236 29.696 -0.460 1 1 84 . 20 1 1 A 9 9 GLN N N 9 121.537 120.818 0.719 1 1 85 . 20 1 1 A 10 10 MET H H 10 8.391 8.812 -0.421 1 1 86 . 20 1 1 A 10 10 MET HA H 10 4.459 5.112 -0.653 1 1 91 . 20 1 1 A 10 10 MET CA C 10 55.062 53.509 1.553 1 1 92 . 20 1 1 A 10 10 MET CB C 10 32.482 36.712 -4.230 1 1 94 . 20 1 1 A 10 10 MET N N 10 122.199 120.692 1.507 1 1 95 . 20 1 1 A 11 11 LYS H H 11 8.317 8.362 -0.045 1 1 96 . 20 1 1 A 11 11 LYS HA H 11 4.296 4.678 -0.382 1 1 105 . 20 1 1 A 11 11 LYS CA C 11 56.114 56.045 0.069 1 1 106 . 20 1 1 A 11 11 LYS CB C 11 32.372 34.302 -1.930 1 1 110 . 20 1 1 A 11 11 LYS N N 11 122.440 120.069 2.371 1 1 111 . 20 1 1 A 12 12 HIS H H 12 8.489 8.814 -0.325 1 1 112 . 20 1 1 A 12 12 HIS HA H 12 4.748 4.985 -0.237 1 1 116 . 20 1 1 A 12 12 HIS CA C 12 55.052 55.066 -0.014 1 1 117 . 20 1 1 A 12 12 HIS CB C 12 29.094 33.259 -4.165 1 1 119 . 20 1 1 A 12 12 HIS N N 12 119.934 119.013 0.921 1 1 120 . 20 1 1 A 13 13 SER H H 13 8.401 8.850 -0.449 1 1 121 . 20 1 1 A 13 13 SER HA H 13 4.518 4.834 -0.316 1 1 124 . 20 1 1 A 13 13 SER CA C 13 57.855 57.440 0.415 1 1 125 . 20 1 1 A 13 13 SER CB C 13 63.750 66.046 -2.296 1 1 126 . 20 1 1 A 13 13 SER N N 13 117.596 116.099 1.497 1 1 127 . 20 1 1 A 14 14 VAL H H 14 8.285 8.304 -0.019 1 1 128 . 20 1 1 A 14 14 VAL HA H 14 4.239 4.493 -0.254 1 1 136 . 20 1 1 A 14 14 VAL CA C 14 62.078 61.805 0.273 1 1 137 . 20 1 1 A 14 14 VAL CB C 14 32.564 32.508 0.056 1 1 140 . 20 1 1 A 14 14 VAL N N 14 121.378 121.961 -0.583 1 1 141 . 20 1 1 A 15 15 SER H H 15 8.419 8.668 -0.249 1 1 142 . 20 1 1 A 15 15 SER HA H 15 4.556 5.046 -0.490 1 1 145 . 20 1 1 A 15 15 SER CA C 15 57.855 57.096 0.759 1 1 146 . 20 1 1 A 15 15 SER CB C 15 63.600 64.665 -1.065 1 1 147 . 20 1 1 A 15 15 SER N N 15 119.022 123.267 -4.245 1 1 148 . 20 1 1 A 16 16 THR H H 16 8.189 8.785 -0.596 1 1 149 . 20 1 1 A 16 16 THR HA H 16 4.362 4.896 -0.534 1 1 154 . 20 1 1 A 16 16 THR CA C 16 61.510 59.807 1.703 1 1 155 . 20 1 1 A 16 16 THR CB C 16 69.292 72.463 -3.171 1 1 157 . 20 1 1 A 16 16 THR N N 16 116.040 113.094 2.946 1 1 158 . 20 1 1 A 17 17 LEU H H 17 8.168 8.561 -0.393 1 1 159 . 20 1 1 A 17 17 LEU HA H 17 4.331 4.222 0.109 1 1 169 . 20 1 1 A 17 17 LEU CA C 17 55.446 55.014 0.432 1 1 170 . 20 1 1 A 17 17 LEU CB C 17 42.032 41.350 0.682 1 1 174 . 20 1 1 A 17 17 LEU N N 17 123.796 122.619 1.177 1 1 175 . 20 1 1 A 18 18 ASN H H 18 8.406 8.498 -0.092 1 1 176 . 20 1 1 A 18 18 ASN HA H 18 4.685 5.085 -0.400 1 1 181 . 20 1 1 A 18 18 ASN CA C 18 53.276 52.630 0.646 1 1 182 . 20 1 1 A 18 18 ASN CB C 18 38.462 40.319 -1.857 1 1 183 . 20 1 1 A 18 18 ASN N N 18 119.197 123.347 -4.150 1 1 185 . 20 1 1 A 19 19 GLN H H 19 8.346 8.478 -0.132 1 1 186 . 20 1 1 A 19 19 GLN HA H 19 4.319 4.707 -0.388 1 1 193 . 20 1 1 A 19 19 GLN CA C 19 56.075 54.554 1.521 1 1 194 . 20 1 1 A 19 19 GLN CB C 19 29.077 31.116 -2.039 1 1 196 . 20 1 1 A 19 19 GLN N N 19 120.620 120.328 0.292 1 1 198 . 20 1 1 A 20 20 GLU H H 20 8.474 8.533 -0.059 1 1 199 . 20 1 1 A 20 20 GLU HA H 20 4.269 4.457 -0.188 1 1 204 . 20 1 1 A 20 20 GLU CA C 20 56.932 56.504 0.428 1 1 205 . 20 1 1 A 20 20 GLU CB C 20 29.694 28.881 0.813 1 1 207 . 20 1 1 A 20 20 GLU N N 20 121.410 119.933 1.477 1 1 208 . 20 1 1 A 21 21 MET H H 21 8.366 8.113 0.253 1 1 209 . 20 1 1 A 21 21 MET HA H 21 4.538 5.114 -0.576 1 1 214 . 20 1 1 A 21 21 MET CA C 21 55.812 54.008 1.804 1 1 215 . 20 1 1 A 21 21 MET CB C 21 32.188 36.953 -4.765 1 1 217 . 20 1 1 A 21 21 MET N N 21 120.618 123.819 -3.201 1 1 218 . 20 1 1 A 22 22 THR H H 22 8.127 8.421 -0.294 1 1 219 . 20 1 1 A 22 22 THR HA H 22 4.299 4.496 -0.197 1 1 224 . 20 1 1 A 22 22 THR CA C 22 62.287 61.529 0.758 1 1 225 . 20 1 1 A 22 22 THR CB C 22 69.174 71.249 -2.075 1 1 227 . 20 1 1 A 22 22 THR N N 22 114.858 113.741 1.117 1 1 228 . 20 1 1 A 23 23 GLN H H 23 8.342 8.491 -0.149 1 1 229 . 20 1 1 A 23 23 GLN HA H 23 4.339 4.422 -0.083 1 1 236 . 20 1 1 A 23 23 GLN CA C 23 56.148 56.312 -0.164 1 1 237 . 20 1 1 A 23 23 GLN CB C 23 29.112 29.019 0.093 1 1 239 . 20 1 1 A 23 23 GLN N N 23 122.047 120.371 1.676 1 1 241 . 20 1 1 A 24 24 LEU H H 24 8.174 8.718 -0.544 1 1 242 . 20 1 1 A 24 24 LEU HA H 24 4.334 5.088 -0.754 1 1 252 . 20 1 1 A 24 24 LEU CA C 24 55.519 53.231 2.288 1 1 253 . 20 1 1 A 24 24 LEU CB C 24 42.146 46.071 -3.925 1 1 257 . 20 1 1 A 24 24 LEU N N 24 122.328 124.815 -2.487 1 1 258 . 20 1 1 A 25 25 ASN H H 25 8.384 8.665 -0.281 1 1 259 . 20 1 1 A 25 25 ASN HA H 25 4.692 4.661 0.031 1 1 264 . 20 1 1 A 25 25 ASN CA C 25 53.481 53.899 -0.418 1 1 265 . 20 1 1 A 25 25 ASN CB C 25 38.445 38.709 -0.264 1 1 266 . 20 1 1 A 25 25 ASN N N 25 119.262 122.196 -2.934 1 1 268 . 20 1 1 A 26 26 GLN H H 26 8.453 8.671 -0.218 1 1 269 . 20 1 1 A 26 26 GLN HA H 26 4.215 4.037 0.178 1 1 276 . 20 1 1 A 26 26 GLN CA C 26 57.037 58.597 -1.560 1 1 277 . 20 1 1 A 26 26 GLN CB C 26 28.996 28.261 0.735 1 1 279 . 20 1 1 A 26 26 GLN N N 26 120.394 122.711 -2.317 1 1 281 . 20 1 1 A 27 27 GLU H H 27 8.501 8.298 0.203 1 1 282 . 20 1 1 A 27 27 GLU HA H 27 4.202 4.069 0.133 1 1 287 . 20 1 1 A 27 27 GLU CA C 27 58.573 59.070 -0.497 1 1 288 . 20 1 1 A 27 27 GLU CB C 27 29.349 29.407 -0.058 1 1 290 . 20 1 1 A 27 27 GLU N N 27 121.130 120.335 0.795 1 1 291 . 20 1 1 A 28 28 THR H H 28 8.032 8.338 -0.306 1 1 292 . 20 1 1 A 28 28 THR HA H 28 4.079 3.957 0.122 1 1 297 . 20 1 1 A 28 28 THR CA C 28 64.762 66.370 -1.608 1 1 298 . 20 1 1 A 28 28 THR CB C 28 68.354 68.290 0.064 1 1 300 . 20 1 1 A 28 28 THR N N 28 114.032 115.919 -1.887 1 1 301 . 20 1 1 A 29 29 VAL H H 29 7.969 7.877 0.092 1 1 302 . 20 1 1 A 29 29 VAL HA H 29 3.812 3.553 0.259 1 1 310 . 20 1 1 A 29 29 VAL CA C 29 65.572 67.197 -1.625 1 1 311 . 20 1 1 A 29 29 VAL CB C 29 31.624 31.498 0.126 1 1 314 . 20 1 1 A 29 29 VAL N N 29 122.215 121.764 0.451 1 1 315 . 20 1 1 A 30 30 LYS H H 30 7.910 8.229 -0.319 1 1 316 . 20 1 1 A 30 30 LYS HA H 30 4.175 4.004 0.171 1 1 325 . 20 1 1 A 30 30 LYS CA C 30 57.780 59.490 -1.710 1 1 326 . 20 1 1 A 30 30 LYS CB C 30 31.537 31.712 -0.175 1 1 330 . 20 1 1 A 30 30 LYS N N 30 119.387 118.773 0.614 1 1 331 . 20 1 1 A 31 31 ILE H H 31 8.277 8.003 0.274 1 1 332 . 20 1 1 A 31 31 ILE HA H 31 3.602 3.631 -0.029 1 1 342 . 20 1 1 A 31 31 ILE CA C 31 65.712 65.396 0.316 1 1 343 . 20 1 1 A 31 31 ILE CB C 31 38.559 37.560 0.999 1 1 347 . 20 1 1 A 31 31 ILE N N 31 121.053 120.860 0.193 1 1 348 . 20 1 1 A 32 32 THR H H 32 7.896 8.089 -0.193 1 1 349 . 20 1 1 A 32 32 THR HA H 32 4.004 3.870 0.134 1 1 354 . 20 1 1 A 32 32 THR CA C 32 65.922 67.179 -1.257 1 1 355 . 20 1 1 A 32 32 THR CB C 32 68.400 68.216 0.184 1 1 357 . 20 1 1 A 32 32 THR N N 32 115.554 117.247 -1.693 1 1 358 . 20 1 1 A 33 33 GLN H H 33 8.279 8.351 -0.072 1 1 359 . 20 1 1 A 33 33 GLN HA H 33 3.887 3.971 -0.084 1 1 366 . 20 1 1 A 33 33 GLN CA C 33 59.052 59.177 -0.125 1 1 367 . 20 1 1 A 33 33 GLN CB C 33 27.889 28.134 -0.245 1 1 369 . 20 1 1 A 33 33 GLN N N 33 120.920 121.418 -0.498 1 1 371 . 20 1 1 A 34 34 GLN H H 34 8.671 8.275 0.396 1 1 372 . 20 1 1 A 34 34 GLN HA H 34 3.615 4.013 -0.398 1 1 379 . 20 1 1 A 34 34 GLN CA C 34 60.424 58.934 1.490 1 1 380 . 20 1 1 A 34 34 GLN CB C 34 30.058 28.254 1.804 1 1 382 . 20 1 1 A 34 34 GLN N N 34 120.388 118.904 1.484 1 1 384 . 20 1 1 A 35 35 ASN H H 35 8.636 8.120 0.516 1 1 385 . 20 1 1 A 35 35 ASN HA H 35 4.595 4.541 0.054 1 1 390 . 20 1 1 A 35 35 ASN CA C 35 55.363 55.689 -0.326 1 1 391 . 20 1 1 A 35 35 ASN CB C 35 36.904 37.847 -0.943 1 1 392 . 20 1 1 A 35 35 ASN N N 35 116.477 118.349 -1.872 1 1 394 . 20 1 1 A 36 36 ARG H H 36 8.321 7.615 0.706 1 1 395 . 20 1 1 A 36 36 ARG HA H 36 4.142 4.094 0.048 1 1 402 . 20 1 1 A 36 36 ARG CA C 36 58.582 58.797 -0.215 1 1 403 . 20 1 1 A 36 36 ARG CB C 36 29.712 29.828 -0.116 1 1 406 . 20 1 1 A 36 36 ARG N N 36 121.347 120.757 0.590 1 1 407 . 20 1 1 A 37 37 LEU H H 37 8.251 8.304 -0.053 1 1 408 . 20 1 1 A 37 37 LEU HA H 37 3.788 3.789 -0.001 1 1 418 . 20 1 1 A 37 37 LEU CA C 37 57.094 57.739 -0.645 1 1 419 . 20 1 1 A 37 37 LEU CB C 37 40.554 40.605 -0.051 1 1 423 . 20 1 1 A 37 37 LEU N N 37 120.862 119.789 1.073 1 1 424 . 20 1 1 A 38 38 ASN H H 38 8.047 8.603 -0.556 1 1 425 . 20 1 1 A 38 38 ASN HA H 38 5.134 4.459 0.675 1 1 430 . 20 1 1 A 38 38 ASN CA C 38 54.413 56.995 -2.582 1 1 431 . 20 1 1 A 38 38 ASN CB C 38 38.069 39.739 -1.670 1 1 432 . 20 1 1 A 38 38 ASN N N 38 115.574 118.446 -2.872 1 1 434 . 20 1 1 A 39 39 ALA H H 39 7.878 7.754 0.124 1 1 435 . 20 1 1 A 39 39 ALA HA H 39 4.342 4.037 0.305 1 1 439 . 20 1 1 A 39 39 ALA CA C 39 53.981 54.830 -0.849 1 1 440 . 20 1 1 A 39 39 ALA CB C 39 18.340 18.201 0.139 1 1 441 . 20 1 1 A 39 39 ALA N N 39 123.076 121.104 1.972 1 1 442 . 20 1 1 A 40 40 LYS H H 40 7.431 7.178 0.253 1 1 443 . 20 1 1 A 40 40 LYS HA H 40 4.528 4.307 0.221 1 1 452 . 20 1 1 A 40 40 LYS CA C 40 55.285 56.217 -0.932 1 1 453 . 20 1 1 A 40 40 LYS CB C 40 32.852 32.801 0.051 1 1 457 . 20 1 1 A 40 40 LYS N N 40 114.889 115.205 -0.316 1 1 458 . 20 1 1 A 41 41 SER H H 41 7.671 7.233 0.438 1 1 459 . 20 1 1 A 41 41 SER HA H 41 4.615 4.501 0.114 1 1 462 . 20 1 1 A 41 41 SER CA C 41 58.189 58.523 -0.334 1 1 463 . 20 1 1 A 41 41 SER CB C 41 63.924 64.221 -0.297 1 1 464 . 20 1 1 A 41 41 SER N N 41 114.795 116.818 -2.023 1 1 465 . 20 1 1 A 42 42 SER H H 42 8.927 9.155 -0.228 1 1 466 . 20 1 1 A 42 42 SER HA H 42 4.792 4.455 0.337 1 1 469 . 20 1 1 A 42 42 SER CA C 42 58.133 59.993 -1.860 1 1 470 . 20 1 1 A 42 42 SER CB C 42 63.712 64.250 -0.538 1 1 471 . 20 1 1 A 42 42 SER N N 42 120.934 124.112 -3.178 1 1 472 . 20 1 1 A 43 43 SER H H 43 8.320 7.908 0.412 1 1 473 . 20 1 1 A 43 43 SER HA H 43 4.654 4.838 -0.184 1 1 476 . 20 1 1 A 43 43 SER CA C 43 57.309 56.997 0.312 1 1 477 . 20 1 1 A 43 43 SER CB C 43 63.151 64.836 -1.685 1 1 478 . 20 1 1 A 43 43 SER N N 43 115.966 114.401 1.565 1 1 479 . 20 1 1 A 44 44 GLY H H 44 8.182 8.734 -0.552 1 1 480 . 20 1 1 A 44 44 GLY HA2 H 44 4.206 4.083 0.123 1 1 481 . 20 1 1 A 44 44 GLY HA3 H 44 4.399 4.120 0.279 1 1 482 . 20 1 1 A 44 44 GLY CA C 44 44.540 44.894 -0.354 1 1 483 . 20 1 1 A 44 44 GLY N N 44 110.764 116.938 -6.174 1 1 484 . 20 1 1 A 45 45 VAL H H 45 8.341 8.433 -0.092 1 1 485 . 20 1 1 A 45 45 VAL HA H 45 4.845 5.131 -0.286 1 1 493 . 20 1 1 A 45 45 VAL CA C 45 58.981 59.587 -0.606 1 1 494 . 20 1 1 A 45 45 VAL CB C 45 35.239 36.183 -0.944 1 1 497 . 20 1 1 A 45 45 VAL N N 45 114.116 117.228 -3.112 1 1 498 . 20 1 1 A 46 46 TYR H H 46 10.501 9.074 1.427 1 1 499 . 20 1 1 A 46 46 TYR HA H 46 5.004 5.199 -0.195 1 1 506 . 20 1 1 A 46 46 TYR CA C 46 58.121 56.995 1.126 1 1 507 . 20 1 1 A 46 46 TYR CB C 46 41.382 38.826 2.556 1 1 510 . 20 1 1 A 46 46 TYR N N 46 123.384 122.678 0.706 1 1 511 . 20 1 1 A 47 47 LEU H H 47 9.364 9.274 0.090 1 1 512 . 20 1 1 A 47 47 LEU HA H 47 4.695 5.015 -0.320 1 1 522 . 20 1 1 A 47 47 LEU CA C 47 52.769 53.819 -1.050 1 1 523 . 20 1 1 A 47 47 LEU CB C 47 44.689 43.925 0.764 1 1 527 . 20 1 1 A 47 47 LEU N N 47 118.822 125.894 -7.072 1 1 528 . 20 1 1 A 48 48 LEU H H 48 9.128 9.048 0.080 1 1 529 . 20 1 1 A 48 48 LEU HA H 48 5.232 4.868 0.364 1 1 539 . 20 1 1 A 48 48 LEU CA C 48 51.100 51.088 0.012 1 1 540 . 20 1 1 A 48 48 LEU CB C 48 40.141 43.983 -3.842 1 1 544 . 20 1 1 A 48 48 LEU N N 48 123.384 124.716 -1.332 1 1 545 . 20 1 1 A 49 49 PRO HA H 49 4.090 4.271 -0.181 1 1 552 . 20 1 1 A 49 49 PRO CA C 49 64.912 64.769 0.143 1 1 553 . 20 1 1 A 49 49 PRO CB C 49 31.607 31.841 -0.234 1 1 556 . 20 1 1 A 50 50 GLY H H 50 9.181 8.480 0.701 1 1 557 . 20 1 1 A 50 50 GLY HA2 H 50 3.933 3.940 -0.007 1 1 558 . 20 1 1 A 50 50 GLY HA3 H 50 4.757 3.944 0.813 1 1 559 . 20 1 1 A 50 50 GLY CA C 50 45.499 46.377 -0.878 1 1 560 . 20 1 1 A 50 50 GLY N N 50 106.827 106.846 -0.019 1 1 561 . 20 1 1 A 51 51 ALA H H 51 7.857 7.655 0.202 1 1 562 . 20 1 1 A 51 51 ALA HA H 51 4.264 4.444 -0.180 1 1 566 . 20 1 1 A 51 51 ALA CA C 51 53.156 50.781 2.375 1 1 567 . 20 1 1 A 51 51 ALA CB C 51 18.492 17.948 0.544 1 1 568 . 20 1 1 A 51 51 ALA N N 51 120.192 121.170 -0.978 1 1 569 . 20 1 1 A 52 52 LYS H H 52 7.787 8.761 -0.974 1 1 570 . 20 1 1 A 52 52 LYS HA H 52 4.094 4.394 -0.300 1 1 579 . 20 1 1 A 52 52 LYS CA C 52 56.979 55.644 1.335 1 1 580 . 20 1 1 A 52 52 LYS CB C 52 30.731 31.002 -0.271 1 1 584 . 20 1 1 A 52 52 LYS N N 52 115.260 125.960 -10.700 1 1 585 . 20 1 1 A 53 53 THR H H 53 8.043 8.326 -0.283 1 1 586 . 20 1 1 A 53 53 THR HA H 53 4.924 5.028 -0.104 1 1 591 . 20 1 1 A 53 53 THR CA C 53 59.565 58.778 0.787 1 1 592 . 20 1 1 A 53 53 THR CB C 53 72.729 70.963 1.766 1 1 594 . 20 1 1 A 53 53 THR N N 53 114.085 114.263 -0.178 1 1 595 . 20 1 1 A 54 54 PRO HA H 54 4.860 5.219 -0.359 1 1 602 . 20 1 1 A 54 54 PRO CA C 54 62.176 62.352 -0.176 1 1 603 . 20 1 1 A 54 54 PRO CB C 54 32.820 32.589 0.231 1 1 606 . 20 1 1 A 55 55 ALA H H 55 8.834 8.693 0.141 1 1 607 . 20 1 1 A 55 55 ALA HA H 55 4.824 5.014 -0.190 1 1 611 . 20 1 1 A 55 55 ALA CA C 55 50.500 50.691 -0.191 1 1 612 . 20 1 1 A 55 55 ALA CB C 55 22.858 23.022 -0.164 1 1 613 . 20 1 1 A 55 55 ALA N N 55 122.227 122.764 -0.537 1 1 614 . 20 1 1 A 56 56 ARG H H 56 8.445 8.651 -0.206 1 1 615 . 20 1 1 A 56 56 ARG HA H 56 5.262 4.722 0.540 1 1 623 . 20 1 1 A 56 56 ARG CA C 56 54.401 56.011 -1.610 1 1 624 . 20 1 1 A 56 56 ARG CB C 56 32.849 31.404 1.445 1 1 627 . 20 1 1 A 56 56 ARG N N 56 121.194 122.339 -1.145 1 1 629 . 20 1 1 A 57 57 LEU H H 57 9.159 8.831 0.328 1 1 630 . 20 1 1 A 57 57 LEU HA H 57 4.672 4.952 -0.280 1 1 640 . 20 1 1 A 57 57 LEU CA C 57 53.028 53.900 -0.872 1 1 641 . 20 1 1 A 57 57 LEU CB C 57 46.231 45.968 0.263 1 1 645 . 20 1 1 A 57 57 LEU N N 57 125.694 126.558 -0.864 1 1 646 . 20 1 1 A 58 58 GLU H H 58 8.890 9.043 -0.153 1 1 647 . 20 1 1 A 58 58 GLU HA H 58 4.535 4.811 -0.276 1 1 652 . 20 1 1 A 58 58 GLU CA C 58 55.733 55.940 -0.207 1 1 653 . 20 1 1 A 58 58 GLU CB C 58 27.970 30.864 -2.894 1 1 655 . 20 1 1 A 58 58 GLU N N 58 127.677 128.243 -0.566 1 1 656 . 20 1 1 A 59 59 SER H H 59 7.772 8.875 -1.103 1 1 657 . 20 1 1 A 59 59 SER HA H 59 4.970 4.935 0.035 1 1 661 . 20 1 1 A 59 59 SER CA C 59 57.576 56.361 1.215 1 1 662 . 20 1 1 A 59 59 SER CB C 59 69.174 66.463 2.711 1 1 663 . 20 1 1 A 59 59 SER N N 59 121.860 120.132 1.728 1 1 664 . 20 1 1 A 60 60 GLN H H 60 9.336 8.418 0.918 1 1 665 . 20 1 1 A 60 60 GLN HA H 60 4.262 4.325 -0.063 1 1 672 . 20 1 1 A 60 60 GLN CA C 60 57.792 57.549 0.243 1 1 673 . 20 1 1 A 60 60 GLN CB C 60 29.669 28.284 1.385 1 1 675 . 20 1 1 A 60 60 GLN N N 60 119.522 117.714 1.808 1 1 677 . 20 1 1 A 61 61 ILE H H 61 8.007 7.354 0.653 1 1 678 . 20 1 1 A 61 61 ILE HA H 61 4.623 4.486 0.137 1 1 688 . 20 1 1 A 61 61 ILE CA C 61 59.813 60.959 -1.146 1 1 689 . 20 1 1 A 61 61 ILE CB C 61 37.013 39.460 -2.447 1 1 693 . 20 1 1 A 61 61 ILE N N 61 109.398 112.419 -3.021 1 1 694 . 20 1 1 A 62 62 GLY H H 62 7.223 6.952 0.271 1 1 695 . 20 1 1 A 62 62 GLY HA2 H 62 4.493 4.071 0.422 1 1 696 . 20 1 1 A 62 62 GLY HA3 H 62 3.872 4.084 -0.212 1 1 697 . 20 1 1 A 62 62 GLY CA C 62 43.022 45.224 -2.202 1 1 698 . 20 1 1 A 62 62 GLY N N 62 109.035 108.876 0.159 1 1 699 . 20 1 1 A 63 63 THR H H 63 8.910 8.501 0.409 1 1 700 . 20 1 1 A 63 63 THR HA H 63 4.599 4.860 -0.261 1 1 705 . 20 1 1 A 63 63 THR CA C 63 64.037 62.666 1.371 1 1 706 . 20 1 1 A 63 63 THR CB C 63 68.111 70.215 -2.104 1 1 708 . 20 1 1 A 63 63 THR N N 63 119.711 116.711 3.000 1 1 709 . 20 1 1 A 64 64 LEU H H 64 9.070 9.131 -0.061 1 1 710 . 20 1 1 A 64 64 LEU HA H 64 5.120 5.135 -0.015 1 1 720 . 20 1 1 A 64 64 LEU CA C 64 52.680 53.226 -0.546 1 1 721 . 20 1 1 A 64 64 LEU CB C 64 44.749 46.469 -1.720 1 1 725 . 20 1 1 A 64 64 LEU N N 64 127.640 121.935 5.705 1 1 726 . 20 1 1 A 65 65 ARG H H 65 9.271 9.031 0.240 1 1 727 . 20 1 1 A 65 65 ARG HA H 65 4.989 5.246 -0.257 1 1 735 . 20 1 1 A 65 65 ARG CA C 65 54.814 54.755 0.059 1 1 736 . 20 1 1 A 65 65 ARG CB C 65 31.836 33.479 -1.643 1 1 739 . 20 1 1 A 65 65 ARG N N 65 122.680 119.730 2.950 1 1 741 . 20 1 1 A 66 66 MET H H 66 9.310 8.864 0.446 1 1 742 . 20 1 1 A 66 66 MET HA H 66 5.822 5.603 0.219 1 1 747 . 20 1 1 A 66 66 MET CA C 66 53.936 54.146 -0.210 1 1 748 . 20 1 1 A 66 66 MET CB C 66 35.912 35.257 0.655 1 1 750 . 20 1 1 A 66 66 MET N N 66 125.309 126.465 -1.156 1 1 751 . 20 1 1 A 67 67 SER H H 67 8.943 8.799 0.144 1 1 752 . 20 1 1 A 67 67 SER HA H 67 4.660 5.141 -0.481 1 1 755 . 20 1 1 A 67 67 SER CA C 67 57.460 57.456 0.004 1 1 756 . 20 1 1 A 67 67 SER CB C 67 65.747 66.416 -0.669 1 1 757 . 20 1 1 A 67 67 SER N N 67 112.115 113.206 -1.091 1 1 758 . 20 1 1 A 68 68 LEU H H 68 8.410 8.891 -0.481 1 1 759 . 20 1 1 A 68 68 LEU HA H 68 5.115 5.084 0.031 1 1 769 . 20 1 1 A 68 68 LEU CA C 68 52.837 53.462 -0.625 1 1 770 . 20 1 1 A 68 68 LEU CB C 68 42.269 42.987 -0.718 1 1 774 . 20 1 1 A 68 68 LEU N N 68 118.367 123.490 -5.123 1 1 775 . 20 1 1 A 69 69 VAL H H 69 9.060 8.445 0.615 1 1 776 . 20 1 1 A 69 69 VAL HA H 69 4.440 4.571 -0.131 1 1 784 . 20 1 1 A 69 69 VAL CA C 69 59.852 59.506 0.346 1 1 785 . 20 1 1 A 69 69 VAL CB C 69 35.349 35.206 0.143 1 1 788 . 20 1 1 A 69 69 VAL N N 69 119.888 118.113 1.775 1 1 789 . 20 1 1 A 70 70 ASN H H 70 8.651 8.718 -0.067 1 1 790 . 20 1 1 A 70 70 ASN HA H 70 4.345 4.210 0.135 1 1 795 . 20 1 1 A 70 70 ASN CA C 70 53.555 54.051 -0.496 1 1 796 . 20 1 1 A 70 70 ASN CB C 70 36.932 36.930 0.002 1 1 797 . 20 1 1 A 70 70 ASN N N 70 119.166 117.907 1.259 1 1 799 . 20 1 1 A 71 71 ILE H H 71 8.449 7.996 0.453 1 1 800 . 20 1 1 A 71 71 ILE HA H 71 4.235 4.096 0.139 1 1 810 . 20 1 1 A 71 71 ILE CA C 71 63.104 61.264 1.840 1 1 811 . 20 1 1 A 71 71 ILE CB C 71 37.200 37.278 -0.078 1 1 815 . 20 1 1 A 71 71 ILE N N 71 121.388 119.758 1.630 1 1 816 . 20 1 1 A 72 72 THR H H 72 9.511 8.877 0.634 1 1 817 . 20 1 1 A 72 72 THR HA H 72 4.967 5.130 -0.163 1 1 822 . 20 1 1 A 72 72 THR CA C 72 59.584 58.440 1.144 1 1 823 . 20 1 1 A 72 72 THR CB C 72 71.930 70.402 1.528 1 1 825 . 20 1 1 A 72 72 THR N N 72 125.726 117.810 7.916 1 1 826 . 20 1 1 A 73 73 PRO HA H 73 4.822 4.673 0.149 1 1 833 . 20 1 1 A 73 73 PRO CA C 73 63.362 62.808 0.554 1 1 834 . 20 1 1 A 73 73 PRO CB C 73 32.451 32.196 0.255 1 1 837 . 20 1 1 A 74 74 ASP H H 74 8.404 8.999 -0.595 1 1 838 . 20 1 1 A 74 74 ASP HA H 74 4.824 4.982 -0.158 1 1 841 . 20 1 1 A 74 74 ASP CA C 74 52.609 52.578 0.031 1 1 842 . 20 1 1 A 74 74 ASP CB C 74 43.743 43.665 0.078 1 1 843 . 20 1 1 A 74 74 ASP N N 74 122.325 122.511 -0.186 1 1 844 . 20 1 1 A 75 75 ALA H H 75 8.539 8.805 -0.266 1 1 845 . 20 1 1 A 75 75 ALA HA H 75 4.062 4.020 0.042 1 1 849 . 20 1 1 A 75 75 ALA CA C 75 54.431 55.164 -0.733 1 1 850 . 20 1 1 A 75 75 ALA CB C 75 18.117 18.371 -0.254 1 1 851 . 20 1 1 A 75 75 ALA N N 75 123.501 126.589 -3.088 1 1 852 . 20 1 1 A 76 76 ASP H H 76 8.356 8.079 0.277 1 1 853 . 20 1 1 A 76 76 ASP HA H 76 4.815 4.693 0.122 1 1 856 . 20 1 1 A 76 76 ASP CA C 76 53.161 54.399 -1.238 1 1 857 . 20 1 1 A 76 76 ASP CB C 76 41.234 41.875 -0.641 1 1 858 . 20 1 1 A 76 76 ASP N N 76 115.326 114.676 0.650 1 1 859 . 20 1 1 A 77 77 GLY H H 77 7.569 7.526 0.043 1 1 860 . 20 1 1 A 77 77 GLY HA2 H 77 3.925 4.090 -0.165 1 1 861 . 20 1 1 A 77 77 GLY HA3 H 77 4.508 4.103 0.405 1 1 862 . 20 1 1 A 77 77 GLY CA C 77 46.675 46.160 0.515 1 1 863 . 20 1 1 A 77 77 GLY N N 77 109.452 105.092 4.360 1 1 864 . 20 1 1 A 78 78 THR H H 78 8.272 8.609 -0.337 1 1 865 . 20 1 1 A 78 78 THR HA H 78 4.655 4.965 -0.310 1 1 870 . 20 1 1 A 78 78 THR CA C 78 63.204 61.145 2.059 1 1 871 . 20 1 1 A 78 78 THR CB C 78 72.222 71.763 0.459 1 1 873 . 20 1 1 A 78 78 THR N N 78 122.442 115.791 6.651 1 1 874 . 20 1 1 A 79 79 THR H H 79 9.027 9.000 0.027 1 1 875 . 20 1 1 A 79 79 THR HA H 79 5.164 5.189 -0.025 1 1 880 . 20 1 1 A 79 79 THR CA C 79 60.303 60.468 -0.165 1 1 881 . 20 1 1 A 79 79 THR CB C 79 70.442 70.216 0.226 1 1 883 . 20 1 1 A 79 79 THR N N 79 121.451 118.994 2.457 1 1 884 . 20 1 1 A 80 80 LEU H H 80 8.698 9.096 -0.398 1 1 885 . 20 1 1 A 80 80 LEU HA H 80 4.835 5.382 -0.547 1 1 895 . 20 1 1 A 80 80 LEU CA C 80 54.194 53.167 1.027 1 1 896 . 20 1 1 A 80 80 LEU CB C 80 44.576 46.229 -1.653 1 1 900 . 20 1 1 A 80 80 LEU N N 80 119.374 123.448 -4.074 1 1 901 . 20 1 1 A 81 81 THR H H 81 8.675 8.856 -0.181 1 1 902 . 20 1 1 A 81 81 THR HA H 81 4.740 4.964 -0.224 1 1 907 . 20 1 1 A 81 81 THR CA C 81 61.838 62.016 -0.178 1 1 908 . 20 1 1 A 81 81 THR CB C 81 70.190 70.724 -0.534 1 1 910 . 20 1 1 A 81 81 THR N N 81 116.982 113.352 3.630 1 1 911 . 20 1 1 A 82 82 LEU H H 82 8.898 8.994 -0.096 1 1 912 . 20 1 1 A 82 82 LEU HA H 82 4.748 5.117 -0.369 1 1 922 . 20 1 1 A 82 82 LEU CA C 82 53.076 53.983 -0.907 1 1 923 . 20 1 1 A 82 82 LEU CB C 82 43.189 43.798 -0.609 1 1 927 . 20 1 1 A 82 82 LEU N N 82 130.905 130.346 0.559 1 1 928 . 20 1 1 A 83 83 ARG H H 83 9.162 8.777 0.385 1 1 929 . 20 1 1 A 83 83 ARG HA H 83 5.174 5.004 0.170 1 1 936 . 20 1 1 A 83 83 ARG CA C 83 54.441 55.007 -0.566 1 1 937 . 20 1 1 A 83 83 ARG CB C 83 31.332 30.917 0.415 1 1 940 . 20 1 1 A 83 83 ARG N N 83 131.064 126.491 4.573 1 1 941 . 20 1 1 A 84 84 ILE H H 84 9.474 9.331 0.143 1 1 942 . 20 1 1 A 84 84 ILE HA H 84 4.611 4.834 -0.223 1 1 952 . 20 1 1 A 84 84 ILE CA C 84 60.486 60.258 0.228 1 1 953 . 20 1 1 A 84 84 ILE CB C 84 40.120 38.646 1.474 1 1 957 . 20 1 1 A 84 84 ILE N N 84 128.394 126.149 2.245 1 1 958 . 20 1 1 A 85 85 GLN H H 85 9.137 9.368 -0.231 1 1 959 . 20 1 1 A 85 85 GLN HA H 85 5.457 5.464 -0.007 1 1 966 . 20 1 1 A 85 85 GLN CA C 85 53.109 54.409 -1.300 1 1 967 . 20 1 1 A 85 85 GLN CB C 85 32.450 30.984 1.466 1 1 969 . 20 1 1 A 85 85 GLN N N 85 124.857 128.565 -3.708 1 1 971 . 20 1 1 A 86 86 GLY H H 86 9.090 8.538 0.552 1 1 972 . 20 1 1 A 86 86 GLY HA2 H 86 3.813 4.065 -0.252 1 1 973 . 20 1 1 A 86 86 GLY HA3 H 86 4.499 4.084 0.415 1 1 974 . 20 1 1 A 86 86 GLY CA C 86 44.877 45.212 -0.335 1 1 975 . 20 1 1 A 86 86 GLY N N 86 110.702 112.984 -2.282 1 1 976 . 20 1 1 A 87 87 GLU H H 87 8.128 8.775 -0.647 1 1 977 . 20 1 1 A 87 87 GLU HA H 87 4.472 4.143 0.329 1 1 982 . 20 1 1 A 87 87 GLU CA C 87 56.057 58.904 -2.847 1 1 983 . 20 1 1 A 87 87 GLU CB C 87 29.943 29.646 0.297 1 1 985 . 20 1 1 A 87 87 GLU N N 87 120.445 122.142 -1.697 1 1 986 . 20 1 1 A 88 88 SER H H 88 8.063 7.910 0.153 1 1 987 . 20 1 1 A 88 88 SER HA H 88 4.469 4.685 -0.216 1 1 990 . 20 1 1 A 88 88 SER CA C 88 57.472 56.643 0.829 1 1 991 . 20 1 1 A 88 88 SER CB C 88 63.799 66.113 -2.314 1 1 992 . 20 1 1 A 88 88 SER N N 88 113.821 110.414 3.407 1 1 993 . 20 1 1 A 89 89 ASN H H 89 8.502 8.635 -0.133 1 1 994 . 20 1 1 A 89 89 ASN HA H 89 4.533 4.944 -0.411 1 1 999 . 20 1 1 A 89 89 ASN CA C 89 53.715 53.537 0.178 1 1 1000 . 20 1 1 A 89 89 ASN CB C 89 38.212 39.309 -1.097 1 1 1001 . 20 1 1 A 89 89 ASN N N 89 119.482 116.046 3.436 1 1 1003 . 20 1 1 A 90 90 ASP H H 90 8.104 7.551 0.553 1 1 1004 . 20 1 1 A 90 90 ASP HA H 90 5.061 4.764 0.297 1 1 1007 . 20 1 1 A 90 90 ASP CA C 90 51.392 52.550 -1.158 1 1 1008 . 20 1 1 A 90 90 ASP CB C 90 41.223 40.619 0.604 1 1 1009 . 20 1 1 A 90 90 ASP N N 90 119.891 120.924 -1.033 1 1 1010 . 20 1 1 A 91 91 PRO HA H 91 4.156 4.994 -0.838 1 1 1017 . 20 1 1 A 91 91 PRO CA C 91 62.200 62.475 -0.275 1 1 1018 . 20 1 1 A 91 91 PRO CB C 91 30.844 30.809 0.035 1 1 1021 . 20 1 1 A 92 92 LEU H H 92 8.206 8.427 -0.221 1 1 1022 . 20 1 1 A 92 92 LEU HA H 92 4.504 4.427 0.077 1 1 1032 . 20 1 1 A 92 92 LEU CA C 92 52.697 53.958 -1.261 1 1 1033 . 20 1 1 A 92 92 LEU CB C 92 41.249 41.749 -0.500 1 1 1037 . 20 1 1 A 92 92 LEU N N 92 123.954 124.553 -0.599 1 1 1038 . 20 1 1 A 93 93 PRO HA H 93 4.808 4.618 0.190 1 1 1045 . 20 1 1 A 93 93 PRO CA C 93 61.122 62.319 -1.197 1 1 1046 . 20 1 1 A 93 93 PRO CB C 93 32.289 32.627 -0.338 1 1 1049 . 20 1 1 A 94 94 ALA H H 94 8.420 8.413 0.007 1 1 1050 . 20 1 1 A 94 94 ALA HA H 94 4.164 4.353 -0.189 1 1 1054 . 20 1 1 A 94 94 ALA CA C 94 52.655 53.129 -0.474 1 1 1055 . 20 1 1 A 94 94 ALA CB C 94 18.563 19.238 -0.675 1 1 1056 . 20 1 1 A 94 94 ALA N N 94 120.368 123.226 -2.858 1 1 1057 . 20 1 1 A 95 95 PHE H H 95 7.961 7.896 0.065 1 1 1058 . 20 1 1 A 95 95 PHE HA H 95 5.489 5.655 -0.166 1 1 1066 . 20 1 1 A 95 95 PHE CA C 95 56.213 55.529 0.684 1 1 1067 . 20 1 1 A 95 95 PHE CB C 95 41.552 42.750 -1.198 1 1 1071 . 20 1 1 A 95 95 PHE N N 95 115.209 117.118 -1.909 1 1 1072 . 20 1 1 A 96 96 SER H H 96 9.231 9.242 -0.011 1 1 1073 . 20 1 1 A 96 96 SER HA H 96 5.427 5.476 -0.049 1 1 1076 . 20 1 1 A 96 96 SER CA C 96 55.549 56.548 -0.999 1 1 1077 . 20 1 1 A 96 96 SER CB C 96 66.681 66.648 0.033 1 1 1078 . 20 1 1 A 96 96 SER N N 96 114.106 114.069 0.037 1 1 1079 . 20 1 1 A 97 97 GLY H H 97 8.269 8.343 -0.074 1 1 1080 . 20 1 1 A 97 97 GLY HA2 H 97 4.612 4.224 0.388 1 1 1081 . 20 1 1 A 97 97 GLY HA3 H 97 3.571 4.246 -0.675 1 1 1082 . 20 1 1 A 97 97 GLY CA C 97 45.139 45.456 -0.317 1 1 1083 . 20 1 1 A 97 97 GLY N N 97 104.730 107.067 -2.337 1 1 1084 . 20 1 1 A 98 98 THR H H 98 8.068 8.635 -0.567 1 1 1085 . 20 1 1 A 98 98 THR HA H 98 4.836 4.823 0.013 1 1 1090 . 20 1 1 A 98 98 THR CA C 98 62.462 61.903 0.559 1 1 1091 . 20 1 1 A 98 98 THR CB C 98 70.240 69.190 1.050 1 1 1093 . 20 1 1 A 98 98 THR N N 98 115.596 115.758 -0.162 1 1 1094 . 20 1 1 A 99 99 VAL H H 99 9.016 9.165 -0.149 1 1 1095 . 20 1 1 A 99 99 VAL HA H 99 5.040 4.748 0.292 1 1 1103 . 20 1 1 A 99 99 VAL CA C 99 59.695 60.744 -1.049 1 1 1104 . 20 1 1 A 99 99 VAL CB C 99 33.810 32.538 1.272 1 1 1107 . 20 1 1 A 99 99 VAL N N 99 124.571 128.102 -3.531 1 1 1108 . 20 1 1 A 100 100 GLU H H 100 9.595 9.364 0.231 1 1 1109 . 20 1 1 A 100 100 GLU HA H 100 5.463 5.294 0.169 1 1 1114 . 20 1 1 A 100 100 GLU CA C 100 53.132 55.330 -2.198 1 1 1115 . 20 1 1 A 100 100 GLU CB C 100 31.806 30.119 1.687 1 1 1117 . 20 1 1 A 100 100 GLU N N 100 125.607 128.174 -2.567 1 1 1118 . 20 1 1 A 101 101 TYR H H 101 8.576 8.602 -0.026 1 1 1119 . 20 1 1 A 101 101 TYR HA H 101 4.568 5.444 -0.876 1 1 1126 . 20 1 1 A 101 101 TYR CA C 101 54.809 55.036 -0.227 1 1 1127 . 20 1 1 A 101 101 TYR CB C 101 39.516 41.544 -2.028 1 1 1130 . 20 1 1 A 101 101 TYR N N 101 117.224 122.836 -5.612 1 1 1131 . 20 1 1 A 102 102 GLY H H 102 6.489 7.584 -1.095 1 1 1132 . 20 1 1 A 102 102 GLY HA2 H 102 3.948 4.179 -0.231 1 1 1133 . 20 1 1 A 102 102 GLY HA3 H 102 4.190 4.219 -0.029 1 1 1134 . 20 1 1 A 102 102 GLY CA C 102 46.509 45.979 0.530 1 1 1135 . 20 1 1 A 102 102 GLY N N 102 103.890 106.372 -2.482 1 1 1136 . 20 1 1 A 103 103 GLN H H 103 8.789 9.007 -0.218 1 1 1137 . 20 1 1 A 103 103 GLN HA H 103 4.893 5.453 -0.560 1 1 1144 . 20 1 1 A 103 103 GLN CA C 103 54.742 54.172 0.570 1 1 1145 . 20 1 1 A 103 103 GLN CB C 103 31.972 33.105 -1.133 1 1 1147 . 20 1 1 A 103 103 GLN N N 103 121.055 120.492 0.563 1 1 1149 . 20 1 1 A 104 104 ILE H H 104 8.877 8.704 0.173 1 1 1150 . 20 1 1 A 104 104 ILE HA H 104 5.033 5.216 -0.183 1 1 1160 . 20 1 1 A 104 104 ILE CA C 104 59.495 59.491 0.004 1 1 1161 . 20 1 1 A 104 104 ILE CB C 104 40.485 40.512 -0.027 1 1 1165 . 20 1 1 A 104 104 ILE N N 104 119.483 120.889 -1.406 1 1 1166 . 20 1 1 A 105 105 GLN H H 105 8.807 8.890 -0.083 1 1 1167 . 20 1 1 A 105 105 GLN HA H 105 4.785 5.223 -0.438 1 1 1174 . 20 1 1 A 105 105 GLN CA C 105 53.586 54.346 -0.760 1 1 1175 . 20 1 1 A 105 105 GLN CB C 105 32.029 30.783 1.246 1 1 1177 . 20 1 1 A 105 105 GLN N N 105 126.014 124.077 1.937 1 1 1179 . 20 1 1 A 106 106 GLY H H 106 8.680 8.493 0.187 1 1 1180 . 20 1 1 A 106 106 GLY HA2 H 106 4.878 4.243 0.635 1 1 1181 . 20 1 1 A 106 106 GLY HA3 H 106 3.898 4.281 -0.383 1 1 1182 . 20 1 1 A 106 106 GLY CA C 106 43.994 45.525 -1.531 1 1 1183 . 20 1 1 A 106 106 GLY N N 106 111.899 108.160 3.739 1 1 1184 . 20 1 1 A 107 107 THR H H 107 7.984 8.622 -0.638 1 1 1185 . 20 1 1 A 107 107 THR HA H 107 4.571 4.732 -0.161 1 1 1190 . 20 1 1 A 107 107 THR CA C 107 59.611 60.354 -0.743 1 1 1191 . 20 1 1 A 107 107 THR CB C 107 71.146 70.861 0.285 1 1 1193 . 20 1 1 A 107 107 THR N N 107 111.498 111.840 -0.342 1 1 1194 . 20 1 1 A 108 108 ILE H H 108 8.345 8.752 -0.407 1 1 1195 . 20 1 1 A 108 108 ILE HA H 108 3.775 3.837 -0.062 1 1 1205 . 20 1 1 A 108 108 ILE CA C 108 62.916 63.340 -0.424 1 1 1206 . 20 1 1 A 108 108 ILE CB C 108 37.737 37.524 0.213 1 1 1210 . 20 1 1 A 108 108 ILE N N 108 117.576 121.414 -3.838 1 1 1211 . 20 1 1 A 109 109 ASP H H 109 7.753 7.765 -0.012 1 1 1212 . 20 1 1 A 109 109 ASP HA H 109 4.564 4.829 -0.265 1 1 1215 . 20 1 1 A 109 109 ASP CA C 109 54.540 55.527 -0.987 1 1 1216 . 20 1 1 A 109 109 ASP CB C 109 41.360 42.714 -1.354 1 1 1217 . 20 1 1 A 109 109 ASP N N 109 116.045 119.695 -3.650 1 1 1218 . 20 1 1 A 110 110 ASN H H 110 7.719 8.279 -0.560 1 1 1219 . 20 1 1 A 110 110 ASN HA H 110 4.723 4.993 -0.270 1 1 1224 . 20 1 1 A 110 110 ASN CA C 110 53.036 51.812 1.224 1 1 1225 . 20 1 1 A 110 110 ASN CB C 110 38.443 39.495 -1.052 1 1 1226 . 20 1 1 A 110 110 ASN N N 110 119.075 114.596 4.479 1 1 1228 . 20 1 1 A 111 111 PHE H H 111 7.977 8.441 -0.464 1 1 1229 . 20 1 1 A 111 111 PHE HA H 111 5.249 5.687 -0.438 1 1 1237 . 20 1 1 A 111 111 PHE CA C 111 56.627 55.100 1.527 1 1 1238 . 20 1 1 A 111 111 PHE CB C 111 40.215 42.563 -2.348 1 1 1242 . 20 1 1 A 111 111 PHE N N 111 122.138 119.765 2.373 1 1 1243 . 20 1 1 A 112 112 GLN H H 112 8.715 8.987 -0.272 1 1 1244 . 20 1 1 A 112 112 GLN HA H 112 4.540 4.678 -0.138 1 1 1251 . 20 1 1 A 112 112 GLN CA C 112 54.035 55.231 -1.196 1 1 1252 . 20 1 1 A 112 112 GLN CB C 112 31.861 30.015 1.846 1 1 1254 . 20 1 1 A 112 112 GLN N N 112 119.575 120.749 -1.174 1 1 1256 . 20 1 1 A 113 113 GLU H H 113 8.546 8.845 -0.299 1 1 1257 . 20 1 1 A 113 113 GLU HA H 113 4.780 4.707 0.073 1 1 1262 . 20 1 1 A 113 113 GLU CA C 113 55.412 56.034 -0.622 1 1 1263 . 20 1 1 A 113 113 GLU CB C 113 29.886 30.006 -0.120 1 1 1265 . 20 1 1 A 113 113 GLU N N 113 122.846 123.860 -1.014 1 1 1266 . 20 1 1 A 114 114 ILE H H 114 8.913 8.457 0.456 1 1 1267 . 20 1 1 A 114 114 ILE HA H 114 4.662 4.584 0.078 1 1 1277 . 20 1 1 A 114 114 ILE CA C 114 59.144 59.775 -0.631 1 1 1278 . 20 1 1 A 114 114 ILE CB C 114 41.873 40.240 1.633 1 1 1282 . 20 1 1 A 114 114 ILE N N 114 120.222 121.768 -1.546 1 1 1283 . 20 1 1 A 115 115 ASN H H 115 8.916 8.811 0.105 1 1 1284 . 20 1 1 A 115 115 ASN HA H 115 4.340 4.260 0.080 1 1 1289 . 20 1 1 A 115 115 ASN CA C 115 53.444 54.315 -0.871 1 1 1290 . 20 1 1 A 115 115 ASN CB C 115 36.467 37.024 -0.557 1 1 1291 . 20 1 1 A 115 115 ASN N N 115 120.916 118.755 2.161 1 1 1293 . 20 1 1 A 116 116 VAL H H 116 8.044 7.861 0.183 1 1 1294 . 20 1 1 A 116 116 VAL HA H 116 4.389 4.352 0.037 1 1 1302 . 20 1 1 A 116 116 VAL CA C 116 63.183 62.309 0.874 1 1 1303 . 20 1 1 A 116 116 VAL CB C 116 32.216 32.510 -0.294 1 1 1306 . 20 1 1 A 116 116 VAL N N 116 117.046 119.701 -2.655 1 1 1307 . 20 1 1 A 117 117 GLN H H 117 8.582 8.744 -0.162 1 1 1308 . 20 1 1 A 117 117 GLN HA H 117 4.550 4.781 -0.231 1 1 1315 . 20 1 1 A 117 117 GLN CA C 117 53.827 53.908 -0.081 1 1 1316 . 20 1 1 A 117 117 GLN CB C 117 33.119 31.511 1.608 1 1 1318 . 20 1 1 A 117 117 GLN N N 117 127.086 126.421 0.665 1 1 1320 . 20 1 1 A 118 118 ASN H H 118 8.330 8.829 -0.499 1 1 1321 . 20 1 1 A 118 118 ASN HA H 118 5.845 5.676 0.169 1 1 1326 . 20 1 1 A 118 118 ASN CA C 118 51.736 52.003 -0.267 1 1 1327 . 20 1 1 A 118 118 ASN CB C 118 42.644 40.243 2.401 1 1 1328 . 20 1 1 A 118 118 ASN N N 118 113.251 118.569 -5.318 1 1 1330 . 20 1 1 A 119 119 GLN H H 119 9.187 8.740 0.447 1 1 1331 . 20 1 1 A 119 119 GLN HA H 119 4.693 4.894 -0.201 1 1 1338 . 20 1 1 A 119 119 GLN CA C 119 55.160 54.746 0.414 1 1 1339 . 20 1 1 A 119 119 GLN CB C 119 34.157 33.131 1.026 1 1 1341 . 20 1 1 A 119 119 GLN N N 119 116.799 120.830 -4.031 1 1 1343 . 20 1 1 A 120 120 LEU H H 120 8.544 9.049 -0.505 1 1 1344 . 20 1 1 A 120 120 LEU HA H 120 5.059 5.081 -0.022 1 1 1354 . 20 1 1 A 120 120 LEU CA C 120 54.327 53.714 0.613 1 1 1355 . 20 1 1 A 120 120 LEU CB C 120 42.839 42.903 -0.064 1 1 1359 . 20 1 1 A 120 120 LEU N N 120 123.292 126.766 -3.474 1 1 1360 . 20 1 1 A 121 121 ILE H H 121 8.657 8.836 -0.179 1 1 1361 . 20 1 1 A 121 121 ILE HA H 121 4.778 4.840 -0.062 1 1 1371 . 20 1 1 A 121 121 ILE CA C 121 58.770 59.879 -1.109 1 1 1372 . 20 1 1 A 121 121 ILE CB C 121 41.582 39.329 2.253 1 1 1376 . 20 1 1 A 121 121 ILE N N 121 116.046 122.410 -6.364 1 1 1377 . 20 1 1 A 122 122 ASN H H 122 8.329 9.061 -0.732 1 1 1378 . 20 1 1 A 122 122 ASN HA H 122 5.068 5.310 -0.242 1 1 1383 . 20 1 1 A 122 122 ASN CA C 122 52.654 51.853 0.801 1 1 1384 . 20 1 1 A 122 122 ASN CB C 122 42.112 41.788 0.324 1 1 1385 . 20 1 1 A 122 122 ASN N N 122 118.416 124.833 -6.417 1 1 1387 . 20 1 1 A 123 123 ALA H H 123 8.547 8.626 -0.079 1 1 1388 . 20 1 1 A 123 123 ALA HA H 123 4.597 4.584 0.013 1 1 1392 . 20 1 1 A 123 123 ALA CA C 123 48.537 48.945 -0.408 1 1 1393 . 20 1 1 A 123 123 ALA CB C 123 19.998 21.501 -1.503 1 1 1394 . 20 1 1 A 123 123 ALA N N 123 124.108 124.078 0.030 1 1 1395 . 20 1 1 A 124 124 PRO HA H 124 4.537 4.508 0.029 1 1 1402 . 20 1 1 A 124 124 PRO CA C 124 60.979 62.351 -1.372 1 1 1403 . 20 1 1 A 124 124 PRO CB C 124 32.285 32.374 -0.089 1 1 1406 . 20 1 1 A 125 125 ALA H H 125 8.587 8.275 0.312 1 1 1407 . 20 1 1 A 125 125 ALA HA H 125 3.899 4.556 -0.657 1 1 1411 . 20 1 1 A 125 125 ALA CA C 125 52.692 52.024 0.668 1 1 1412 . 20 1 1 A 125 125 ALA CB C 125 18.631 19.471 -0.840 1 1 1413 . 20 1 1 A 125 125 ALA N N 125 121.333 123.257 -1.924 1 1 1414 . 20 1 1 A 126 126 SER H H 126 8.227 9.169 -0.942 1 1 1415 . 20 1 1 A 126 126 SER HA H 126 4.616 4.432 0.184 1 1 1418 . 20 1 1 A 126 126 SER CA C 126 59.168 59.755 -0.587 1 1 1419 . 20 1 1 A 126 126 SER CB C 126 64.636 63.208 1.428 1 1 1420 . 20 1 1 A 126 126 SER N N 126 118.947 118.204 0.743 1 1 1421 . 20 1 1 A 127 127 VAL H H 127 8.595 8.812 -0.217 1 1 1422 . 20 1 1 A 127 127 VAL HA H 127 4.276 4.066 0.210 1 1 1430 . 20 1 1 A 127 127 VAL CA C 127 62.194 64.290 -2.096 1 1 1431 . 20 1 1 A 127 127 VAL CB C 127 32.852 32.611 0.241 1 1 1434 . 20 1 1 A 127 127 VAL N N 127 117.209 126.902 -9.693 1 1 1435 . 20 1 1 A 128 128 LEU H H 128 7.844 7.511 0.333 1 1 1436 . 20 1 1 A 128 128 LEU HA H 128 4.588 4.882 -0.294 1 1 1446 . 20 1 1 A 128 128 LEU CA C 128 53.639 52.992 0.647 1 1 1447 . 20 1 1 A 128 128 LEU CB C 128 44.574 45.424 -0.850 1 1 1451 . 20 1 1 A 128 128 LEU N N 128 121.103 117.723 3.380 1 1 1452 . 20 1 1 A 129 129 ALA H H 129 8.377 8.602 -0.225 1 1 1453 . 20 1 1 A 129 129 ALA HA H 129 4.538 4.922 -0.384 1 1 1457 . 20 1 1 A 129 129 ALA CA C 129 53.476 50.062 3.414 1 1 1458 . 20 1 1 A 129 129 ALA CB C 129 20.982 20.621 0.361 1 1 1459 . 20 1 1 A 129 129 ALA N N 129 123.679 123.107 0.572 1 1 1460 . 20 1 1 A 130 130 PRO HA H 130 4.669 4.693 -0.024 1 1 1467 . 20 1 1 A 130 130 PRO CA C 130 62.314 62.306 0.008 1 1 1468 . 20 1 1 A 130 130 PRO CB C 130 33.473 32.554 0.919 1 1 1471 . 20 1 1 A 131 131 SER H H 131 9.365 8.543 0.822 1 1 1472 . 20 1 1 A 131 131 SER HA H 131 4.520 4.687 -0.167 1 1 1475 . 20 1 1 A 131 131 SER CA C 131 59.385 57.739 1.646 1 1 1476 . 20 1 1 A 131 131 SER CB C 131 63.866 61.336 2.530 1 1 1477 . 20 1 1 A 131 131 SER N N 131 122.226 117.229 4.997 1 1 1478 . 20 1 1 A 132 132 ASP H H 132 8.608 8.586 0.022 1 1 1479 . 20 1 1 A 132 132 ASP HA H 132 5.260 4.906 0.354 1 1 1482 . 20 1 1 A 132 132 ASP CA C 132 53.345 52.977 0.368 1 1 1483 . 20 1 1 A 132 132 ASP CB C 132 41.791 40.001 1.790 1 1 1484 . 20 1 1 A 132 132 ASP N N 132 124.814 126.433 -1.619 1 1 1485 . 20 1 1 A 133 133 VAL H H 133 9.405 8.610 0.795 1 1 1486 . 20 1 1 A 133 133 VAL HA H 133 4.226 4.299 -0.073 1 1 1494 . 20 1 1 A 133 133 VAL CA C 133 61.669 62.868 -1.199 1 1 1495 . 20 1 1 A 133 133 VAL CB C 133 34.448 31.168 3.280 1 1 1498 . 20 1 1 A 133 133 VAL N N 133 127.192 123.745 3.447 1 1 1499 . 20 1 1 A 134 134 ASP H H 134 8.468 8.263 0.205 1 1 1500 . 20 1 1 A 134 134 ASP HA H 134 5.368 5.175 0.193 1 1 1503 . 20 1 1 A 134 134 ASP CA C 134 52.326 52.877 -0.551 1 1 1504 . 20 1 1 A 134 134 ASP CB C 134 41.245 41.807 -0.562 1 1 1505 . 20 1 1 A 134 134 ASP N N 134 127.161 127.465 -0.304 1 1 1506 . 20 1 1 A 135 135 ILE H H 135 9.406 8.721 0.685 1 1 1507 . 20 1 1 A 135 135 ILE HA H 135 4.636 4.886 -0.250 1 1 1517 . 20 1 1 A 135 135 ILE CA C 135 57.478 57.084 0.394 1 1 1518 . 20 1 1 A 135 135 ILE CB C 135 39.411 40.140 -0.729 1 1 1522 . 20 1 1 A 135 135 ILE N N 135 125.603 121.426 4.177 1 1 1523 . 20 1 1 A 136 136 PRO HA H 136 4.844 4.524 0.320 1 1 1530 . 20 1 1 A 136 136 PRO CA C 136 62.314 62.995 -0.681 1 1 1531 . 20 1 1 A 136 136 PRO CB C 136 31.563 32.411 -0.848 1 1 1534 . 20 1 1 A 137 137 LEU H H 137 9.196 8.810 0.386 1 1 1535 . 20 1 1 A 137 137 LEU HA H 137 4.739 4.747 -0.008 1 1 1545 . 20 1 1 A 137 137 LEU CA C 137 53.609 53.362 0.247 1 1 1546 . 20 1 1 A 137 137 LEU CB C 137 45.473 45.287 0.186 1 1 1550 . 20 1 1 A 137 137 LEU N N 137 124.087 123.673 0.414 1 1 1551 . 20 1 1 A 138 138 GLN H H 138 8.928 8.992 -0.064 1 1 1552 . 20 1 1 A 138 138 GLN HA H 138 4.581 4.778 -0.197 1 1 1559 . 20 1 1 A 138 138 GLN CA C 138 54.780 54.649 0.131 1 1 1560 . 20 1 1 A 138 138 GLN CB C 138 29.048 30.246 -1.198 1 1 1562 . 20 1 1 A 138 138 GLN N N 138 122.528 128.351 -5.823 1 1 1564 . 20 1 1 A 139 139 LEU H H 139 9.039 8.983 0.056 1 1 1565 . 20 1 1 A 139 139 LEU HA H 139 4.205 4.377 -0.172 1 1 1575 . 20 1 1 A 139 139 LEU CA C 139 52.367 53.274 -0.907 1 1 1576 . 20 1 1 A 139 139 LEU CB C 139 38.673 42.604 -3.931 1 1 1580 . 20 1 1 A 139 139 LEU N N 139 127.667 128.421 -0.754 1 1 1581 . 20 1 1 A 140 140 LYS H H 140 8.078 8.074 0.004 1 1 1582 . 20 1 1 A 140 140 LYS HA H 140 4.352 4.753 -0.401 1 1 1591 . 20 1 1 A 140 140 LYS CA C 140 56.826 54.730 2.096 1 1 1592 . 20 1 1 A 140 140 LYS CB C 140 32.657 35.801 -3.144 1 1 1596 . 20 1 1 A 140 140 LYS N N 140 124.108 121.681 2.427 1 1 1597 . 20 1 1 A 141 141 GLY H H 141 9.166 9.130 0.036 1 1 1598 . 20 1 1 A 141 141 GLY HA2 H 141 3.788 3.954 -0.166 1 1 1599 . 20 1 1 A 141 141 GLY HA3 H 141 4.119 3.975 0.144 1 1 1600 . 20 1 1 A 141 141 GLY CA C 141 45.682 46.303 -0.621 1 1 1601 . 20 1 1 A 141 141 GLY N N 141 110.698 110.886 -0.188 1 1 1602 . 20 1 1 A 142 142 ILE H H 142 7.112 7.770 -0.658 1 1 1603 . 20 1 1 A 142 142 ILE HA H 142 4.600 4.494 0.106 1 1 1613 . 20 1 1 A 142 142 ILE CA C 142 58.547 60.239 -1.692 1 1 1614 . 20 1 1 A 142 142 ILE CB C 142 40.437 41.532 -1.095 1 1 1618 . 20 1 1 A 142 142 ILE N N 142 117.928 119.923 -1.995 1 1 1619 . 20 1 1 A 143 143 SER H H 143 8.381 8.872 -0.491 1 1 1620 . 20 1 1 A 143 143 SER HA H 143 4.613 4.489 0.124 1 1 1623 . 20 1 1 A 143 143 SER CA C 143 56.654 58.896 -2.242 1 1 1624 . 20 1 1 A 143 143 SER CB C 143 65.051 63.799 1.252 1 1 1625 . 20 1 1 A 143 143 SER N N 143 123.373 124.860 -1.487 1 1 1626 . 20 1 1 A 144 144 VAL H H 144 8.702 8.604 0.098 1 1 1627 . 20 1 1 A 144 144 VAL HA H 144 3.593 3.822 -0.229 1 1 1635 . 20 1 1 A 144 144 VAL CA C 144 65.655 65.165 0.490 1 1 1636 . 20 1 1 A 144 144 VAL CB C 144 31.434 31.653 -0.219 1 1 1639 . 20 1 1 A 144 144 VAL N N 144 120.791 127.063 -6.272 1 1 1640 . 20 1 1 A 145 145 ASP H H 145 8.151 8.269 -0.118 1 1 1641 . 20 1 1 A 145 145 ASP HA H 145 4.435 4.366 0.069 1 1 1644 . 20 1 1 A 145 145 ASP CA C 145 55.211 57.655 -2.444 1 1 1645 . 20 1 1 A 145 145 ASP CB C 145 40.268 41.749 -1.481 1 1 1646 . 20 1 1 A 145 145 ASP N N 145 115.698 121.028 -5.330 1 1 1647 . 20 1 1 A 146 146 GLN H H 146 7.553 7.185 0.368 1 1 1648 . 20 1 1 A 146 146 GLN HA H 146 4.302 4.473 -0.171 1 1 1655 . 20 1 1 A 146 146 GLN CA C 146 55.072 55.436 -0.364 1 1 1656 . 20 1 1 A 146 146 GLN CB C 146 29.990 29.516 0.474 1 1 1658 . 20 1 1 A 146 146 GLN N N 146 117.118 115.571 1.547 1 1 1660 . 20 1 1 A 147 147 LEU H H 147 7.368 7.253 0.115 1 1 1661 . 20 1 1 A 147 147 LEU HA H 147 4.119 4.281 -0.162 1 1 1671 . 20 1 1 A 147 147 LEU CA C 147 54.904 55.602 -0.698 1 1 1672 . 20 1 1 A 147 147 LEU CB C 147 40.355 42.765 -2.410 1 1 1676 . 20 1 1 A 147 147 LEU N N 147 121.541 123.515 -1.974 1 1 1677 . 20 1 1 A 148 148 GLY H H 148 8.791 8.632 0.159 1 1 1678 . 20 1 1 A 148 148 GLY HA2 H 148 4.512 3.996 0.516 1 1 1679 . 20 1 1 A 148 148 GLY HA3 H 148 3.997 4.069 -0.072 1 1 1680 . 20 1 1 A 148 148 GLY CA C 148 45.610 46.886 -1.276 1 1 1681 . 20 1 1 A 148 148 GLY N N 148 116.322 113.207 3.115 1 1 1682 . 20 1 1 A 149 149 PHE H H 149 7.790 8.004 -0.214 1 1 1683 . 20 1 1 A 149 149 PHE HA H 149 5.215 5.281 -0.066 1 1 1691 . 20 1 1 A 149 149 PHE CA C 149 56.942 56.011 0.931 1 1 1692 . 20 1 1 A 149 149 PHE CB C 149 42.019 42.754 -0.735 1 1 1696 . 20 1 1 A 149 149 PHE N N 149 113.675 112.874 0.801 1 1 1697 . 20 1 1 A 150 150 VAL H H 150 8.549 9.110 -0.561 1 1 1698 . 20 1 1 A 150 150 VAL HA H 150 4.776 4.516 0.260 1 1 1706 . 20 1 1 A 150 150 VAL CA C 150 61.068 61.307 -0.239 1 1 1707 . 20 1 1 A 150 150 VAL CB C 150 34.594 33.712 0.882 1 1 1710 . 20 1 1 A 150 150 VAL N N 150 118.208 119.924 -1.716 1 1 1711 . 20 1 1 A 151 151 ARG H H 151 9.953 9.080 0.873 1 1 1712 . 20 1 1 A 151 151 ARG HA H 151 5.783 4.569 1.214 1 1 1719 . 20 1 1 A 151 151 ARG CA C 151 53.530 55.357 -1.827 1 1 1720 . 20 1 1 A 151 151 ARG CB C 151 33.540 30.690 2.850 1 1 1723 . 20 1 1 A 151 151 ARG N N 151 128.446 128.286 0.160 1 1 1724 . 20 1 1 A 152 152 ILE H H 152 8.905 8.560 0.345 1 1 1725 . 20 1 1 A 152 152 ILE HA H 152 5.188 4.700 0.488 1 1 1735 . 20 1 1 A 152 152 ILE CA C 152 60.464 60.742 -0.278 1 1 1736 . 20 1 1 A 152 152 ILE CB C 152 39.542 38.219 1.323 1 1 1740 . 20 1 1 A 152 152 ILE N N 152 127.149 127.468 -0.319 1 1 1741 . 20 1 1 A 153 153 HIS H H 153 8.941 8.114 0.827 1 1 1742 . 20 1 1 A 153 153 HIS HA H 153 5.074 4.921 0.153 1 1 1747 . 20 1 1 A 153 153 HIS CA C 153 53.417 54.779 -1.362 1 1 1748 . 20 1 1 A 153 153 HIS CB C 153 31.734 32.112 -0.378 1 1 1751 . 20 1 1 A 153 153 HIS N N 153 119.132 123.556 -4.424 1 1 1752 . 20 1 1 A 154 154 ASP H H 154 9.109 8.895 0.214 1 1 1753 . 20 1 1 A 154 154 ASP HA H 154 4.276 4.205 0.071 1 1 1756 . 20 1 1 A 154 154 ASP CA C 154 55.630 55.351 0.279 1 1 1757 . 20 1 1 A 154 154 ASP CB C 154 39.450 39.039 0.411 1 1 1758 . 20 1 1 A 154 154 ASP N N 154 116.420 116.517 -0.097 1 1 1759 . 20 1 1 A 155 155 ILE H H 155 8.062 8.064 -0.002 1 1 1760 . 20 1 1 A 155 155 ILE HA H 155 5.051 4.572 0.479 1 1 1770 . 20 1 1 A 155 155 ILE CA C 155 59.666 61.591 -1.925 1 1 1771 . 20 1 1 A 155 155 ILE CB C 155 35.757 37.131 -1.374 1 1 1775 . 20 1 1 A 155 155 ILE N N 155 119.131 119.412 -0.281 1 1 1776 . 20 1 1 A 156 156 GLN H H 156 9.011 8.982 0.029 1 1 1777 . 20 1 1 A 156 156 GLN HA H 156 4.993 4.953 0.040 1 1 1784 . 20 1 1 A 156 156 GLN CA C 156 51.975 53.054 -1.079 1 1 1785 . 20 1 1 A 156 156 GLN CB C 156 31.210 31.943 -0.733 1 1 1787 . 20 1 1 A 156 156 GLN N N 156 127.177 124.583 2.594 1 1 1789 . 20 1 1 A 157 157 PRO HA H 157 4.964 5.067 -0.103 1 1 1796 . 20 1 1 A 157 157 PRO CA C 157 61.770 62.598 -0.828 1 1 1797 . 20 1 1 A 157 157 PRO CB C 157 31.637 32.174 -0.537 1 1 1800 . 20 1 1 A 158 158 VAL H H 158 7.921 8.235 -0.314 1 1 1801 . 20 1 1 A 158 158 VAL HA H 158 4.107 4.237 -0.130 1 1 1809 . 20 1 1 A 158 158 VAL CA C 158 62.234 61.598 0.636 1 1 1810 . 20 1 1 A 158 158 VAL CB C 158 32.610 31.648 0.962 1 1 1813 . 20 1 1 A 158 158 VAL N N 158 121.642 117.271 4.371 1 1 1814 . 20 1 1 A 159 159 MET H H 159 8.544 7.551 0.993 1 1 1815 . 20 1 1 A 159 159 MET HA H 159 4.548 5.002 -0.454 1 1 1820 . 20 1 1 A 159 159 MET CA C 159 54.731 53.128 1.603 1 1 1821 . 20 1 1 A 159 159 MET CB C 159 32.547 34.953 -2.406 1 1 1823 . 20 1 1 A 159 159 MET N N 159 124.452 119.482 4.970 1 1 1824 . 20 1 1 A 160 160 GLN H H 160 8.434 8.293 0.141 1 1 1825 . 20 1 1 A 160 160 GLN HA H 160 4.354 4.408 -0.054 1 1 1832 . 20 1 1 A 160 160 GLN CA C 160 55.399 55.792 -0.393 1 1 1833 . 20 1 1 A 160 160 GLN CB C 160 29.112 28.980 0.132 1 1 1835 . 20 1 1 A 160 160 GLN N N 160 121.917 118.624 3.293 1 1 1837 . 20 1 1 A 161 161 LEU H H 161 8.325 9.022 -0.697 1 1 1838 . 20 1 1 A 161 161 LEU HA H 161 4.314 5.053 -0.739 1 1 1848 . 20 1 1 A 161 161 LEU CA C 161 55.040 53.160 1.880 1 1 1849 . 20 1 1 A 161 161 LEU CB C 161 42.225 44.686 -2.461 1 1 1853 . 20 1 1 A 161 161 LEU N N 161 123.826 126.093 -2.267 1 1 1854 . 20 1 1 A 162 162 GLU H H 162 8.358 9.045 -0.687 1 1 1855 . 20 1 1 A 162 162 GLU HA H 162 4.216 4.856 -0.640 1 1 1860 . 20 1 1 A 162 162 GLU CA C 162 56.343 54.358 1.985 1 1 1861 . 20 1 1 A 162 162 GLU CB C 162 30.083 33.928 -3.845 1 1 1863 . 20 1 1 A 162 162 GLU N N 162 121.293 119.846 1.447 1 1 1864 . 20 1 1 A 163 163 HIS H H 163 8.376 8.635 -0.259 1 1 1865 . 20 1 1 A 163 163 HIS HA H 163 4.641 5.256 -0.615 1 1 1868 . 20 1 1 A 163 163 HIS CA C 163 55.437 54.420 1.017 1 1 1869 . 20 1 1 A 163 163 HIS CB C 163 29.412 32.408 -2.996 1 1 1870 . 20 1 1 A 163 163 HIS N N 163 121.307 116.082 5.225 1 1 1871 . 20 1 1 A 164 164 HIS H H 164 8.289 8.776 -0.487 1 1 1872 . 20 1 1 A 164 164 HIS N N 164 125.228 120.112 5.116 1 1 1873 . 20 1 1 A 166 166 HIS HA H 166 4.300 4.966 -0.666 1 1 1876 . 20 1 1 A 166 166 HIS CA C 166 55.708 55.007 0.701 1 1 1877 . 20 1 1 A 166 166 HIS CB C 166 29.207 34.010 -4.803 1 1 1878 . 20 1 1 A 167 167 HIS H H 167 8.591 8.921 -0.330 1 1 1879 . 20 1 1 A 167 167 HIS HA H 167 4.541 4.233 0.308 1 1 1882 . 20 1 1 A 167 167 HIS CA C 167 54.678 59.124 -4.446 1 1 1883 . 20 1 1 A 167 167 HIS CB C 167 26.256 30.119 -3.863 1 1 1884 . 20 1 1 A 167 167 HIS N N 167 121.317 121.640 -0.323 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 164 1.248 1 3 1 1 1 "RMS(OBS, PRED)" CB 154 1.403 1 4 1 1 1 "RMS(OBS, PRED)" H 153 0.430 1 5 1 1 1 "RMS(OBS, PRED)" HA 174 0.301 1 6 1 1 1 "RMS(OBS, PRED)" N 153 3.289 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 164 1.310 1 9 1 2 1 "RMS(OBS, PRED)" CB 154 1.504 1 10 1 2 1 "RMS(OBS, PRED)" H 153 0.443 1 11 1 2 1 "RMS(OBS, PRED)" HA 174 0.367 1 12 1 2 1 "RMS(OBS, PRED)" N 153 3.168 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 164 1.256 1 15 1 3 1 "RMS(OBS, PRED)" CB 154 1.663 1 16 1 3 1 "RMS(OBS, PRED)" H 153 0.437 1 17 1 3 1 "RMS(OBS, PRED)" HA 174 0.371 1 18 1 3 1 "RMS(OBS, PRED)" N 153 3.285 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 164 1.189 1 21 1 4 1 "RMS(OBS, PRED)" CB 154 1.479 1 22 1 4 1 "RMS(OBS, PRED)" H 153 0.427 1 23 1 4 1 "RMS(OBS, PRED)" HA 174 0.339 1 24 1 4 1 "RMS(OBS, PRED)" N 153 3.045 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 164 1.184 1 27 1 5 1 "RMS(OBS, PRED)" CB 154 1.553 1 28 1 5 1 "RMS(OBS, PRED)" H 153 0.426 1 29 1 5 1 "RMS(OBS, PRED)" HA 174 0.358 1 30 1 5 1 "RMS(OBS, PRED)" N 153 3.082 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 164 1.249 1 33 1 6 1 "RMS(OBS, PRED)" CB 154 1.544 1 34 1 6 1 "RMS(OBS, PRED)" H 153 0.447 1 35 1 6 1 "RMS(OBS, PRED)" HA 174 0.363 1 36 1 6 1 "RMS(OBS, PRED)" N 153 3.126 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 164 1.185 1 39 1 7 1 "RMS(OBS, PRED)" CB 154 1.476 1 40 1 7 1 "RMS(OBS, PRED)" H 153 0.431 1 41 1 7 1 "RMS(OBS, PRED)" HA 174 0.337 1 42 1 7 1 "RMS(OBS, PRED)" N 153 3.351 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 164 1.243 1 45 1 8 1 "RMS(OBS, PRED)" CB 154 1.445 1 46 1 8 1 "RMS(OBS, PRED)" H 153 0.452 1 47 1 8 1 "RMS(OBS, PRED)" HA 174 0.324 1 48 1 8 1 "RMS(OBS, PRED)" N 153 3.471 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 164 1.205 1 51 1 9 1 "RMS(OBS, PRED)" CB 154 1.477 1 52 1 9 1 "RMS(OBS, PRED)" H 153 0.454 1 53 1 9 1 "RMS(OBS, PRED)" HA 174 0.332 1 54 1 9 1 "RMS(OBS, PRED)" N 153 3.217 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 164 1.276 1 57 1 10 1 "RMS(OBS, PRED)" CB 154 1.423 1 58 1 10 1 "RMS(OBS, PRED)" H 153 0.413 1 59 1 10 1 "RMS(OBS, PRED)" HA 174 0.344 1 60 1 10 1 "RMS(OBS, PRED)" N 153 3.076 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 164 1.166 1 63 1 11 1 "RMS(OBS, PRED)" CB 154 1.580 1 64 1 11 1 "RMS(OBS, PRED)" H 153 0.474 1 65 1 11 1 "RMS(OBS, PRED)" HA 174 0.348 1 66 1 11 1 "RMS(OBS, PRED)" N 153 3.180 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 164 1.266 1 69 1 12 1 "RMS(OBS, PRED)" CB 154 1.498 1 70 1 12 1 "RMS(OBS, PRED)" H 153 0.445 1 71 1 12 1 "RMS(OBS, PRED)" HA 174 0.378 1 72 1 12 1 "RMS(OBS, PRED)" N 153 3.329 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 164 1.312 1 75 1 13 1 "RMS(OBS, PRED)" CB 154 1.421 1 76 1 13 1 "RMS(OBS, PRED)" H 153 0.421 1 77 1 13 1 "RMS(OBS, PRED)" HA 174 0.364 1 78 1 13 1 "RMS(OBS, PRED)" N 153 3.219 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 164 1.202 1 81 1 14 1 "RMS(OBS, PRED)" CB 154 1.427 1 82 1 14 1 "RMS(OBS, PRED)" H 153 0.442 1 83 1 14 1 "RMS(OBS, PRED)" HA 174 0.331 1 84 1 14 1 "RMS(OBS, PRED)" N 153 3.100 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 164 1.253 1 87 1 15 1 "RMS(OBS, PRED)" CB 154 1.497 1 88 1 15 1 "RMS(OBS, PRED)" H 153 0.421 1 89 1 15 1 "RMS(OBS, PRED)" HA 174 0.339 1 90 1 15 1 "RMS(OBS, PRED)" N 153 3.279 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 164 1.180 1 93 1 16 1 "RMS(OBS, PRED)" CB 154 1.408 1 94 1 16 1 "RMS(OBS, PRED)" H 153 0.446 1 95 1 16 1 "RMS(OBS, PRED)" HA 174 0.366 1 96 1 16 1 "RMS(OBS, PRED)" N 153 3.183 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 164 1.218 1 99 1 17 1 "RMS(OBS, PRED)" CB 154 1.458 1 100 1 17 1 "RMS(OBS, PRED)" H 153 0.430 1 101 1 17 1 "RMS(OBS, PRED)" HA 174 0.351 1 102 1 17 1 "RMS(OBS, PRED)" N 153 3.108 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 164 1.162 1 105 1 18 1 "RMS(OBS, PRED)" CB 154 1.598 1 106 1 18 1 "RMS(OBS, PRED)" H 153 0.410 1 107 1 18 1 "RMS(OBS, PRED)" HA 174 0.356 1 108 1 18 1 "RMS(OBS, PRED)" N 153 3.222 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 164 1.311 1 111 1 19 1 "RMS(OBS, PRED)" CB 154 1.420 1 112 1 19 1 "RMS(OBS, PRED)" H 153 0.427 1 113 1 19 1 "RMS(OBS, PRED)" HA 174 0.342 1 114 1 19 1 "RMS(OBS, PRED)" N 153 3.235 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 164 1.182 1 117 1 20 1 "RMS(OBS, PRED)" CB 154 1.695 1 118 1 20 1 "RMS(OBS, PRED)" H 153 0.431 1 119 1 20 1 "RMS(OBS, PRED)" HA 174 0.349 1 120 1 20 1 "RMS(OBS, PRED)" N 153 3.109 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 1 . 1 1 A 2 2 VAL HA H 2 3.850 4.623 -0.773 2 1 9 . 1 1 A 2 2 VAL CA C 2 61.400 61.033 0.367 2 1 10 . 1 1 A 2 2 VAL CB C 2 32.400 33.738 -1.338 2 1 13 . 1 1 A 3 3 GLN HA H 3 4.445 4.834 -0.389 2 1 18 . 1 1 A 3 3 GLN CA C 3 55.467 54.632 0.835 2 1 19 . 1 1 A 3 3 GLN CB C 3 29.271 30.802 -1.531 2 1 21 . 1 1 A 4 4 GLN H H 4 8.703 8.579 0.124 2 1 22 . 1 1 A 4 4 GLN HA H 4 4.356 4.747 -0.391 2 1 27 . 1 1 A 4 4 GLN CA C 4 55.961 55.056 0.905 2 1 28 . 1 1 A 4 4 GLN CB C 4 29.178 30.381 -1.203 2 1 30 . 1 1 A 4 4 GLN N N 4 123.281 122.856 0.425 2 1 31 . 1 1 A 5 5 SER H H 5 8.426 8.637 -0.211 2 1 32 . 1 1 A 5 5 SER HA H 5 4.424 4.920 -0.496 2 1 35 . 1 1 A 5 5 SER CA C 5 58.498 57.595 0.903 2 1 36 . 1 1 A 5 5 SER CB C 5 63.534 64.595 -1.061 2 1 37 . 1 1 A 5 5 SER N N 5 116.845 117.740 -0.895 2 1 38 . 1 1 A 6 6 GLU H H 6 8.434 8.743 -0.309 2 1 39 . 1 1 A 6 6 GLU HA H 6 4.342 4.834 -0.492 2 1 44 . 1 1 A 6 6 GLU CA C 6 56.410 55.271 1.139 2 1 45 . 1 1 A 6 6 GLU CB C 6 29.873 31.640 -1.767 2 1 47 . 1 1 A 6 6 GLU N N 6 122.965 124.485 -1.520 2 1 48 . 1 1 A 7 7 VAL H H 7 8.131 8.618 -0.487 2 1 49 . 1 1 A 7 7 VAL HA H 7 4.063 4.721 -0.658 2 1 57 . 1 1 A 7 7 VAL CA C 7 62.213 60.289 1.924 2 1 58 . 1 1 A 7 7 VAL CB C 7 32.391 34.089 -1.698 2 1 61 . 1 1 A 7 7 VAL N N 7 121.508 120.217 1.291 2 1 62 . 1 1 A 8 8 ARG H H 8 8.376 8.697 -0.321 2 1 63 . 1 1 A 8 8 ARG HA H 8 4.335 4.825 -0.490 2 1 70 . 1 1 A 8 8 ARG CA C 8 56.013 54.747 1.266 2 1 71 . 1 1 A 8 8 ARG CB C 8 30.528 32.615 -2.087 2 1 74 . 1 1 A 8 8 ARG N N 8 124.504 124.091 0.413 2 1 75 . 1 1 A 9 9 GLN H H 9 8.360 8.555 -0.195 2 1 76 . 1 1 A 9 9 GLN HA H 9 4.353 4.612 -0.259 2 1 81 . 1 1 A 9 9 GLN CA C 9 55.446 55.366 0.080 2 1 82 . 1 1 A 9 9 GLN CB C 9 29.236 29.783 -0.547 2 1 84 . 1 1 A 9 9 GLN N N 9 121.537 122.930 -1.393 2 1 85 . 1 1 A 10 10 MET H H 10 8.391 8.748 -0.357 2 1 86 . 1 1 A 10 10 MET HA H 10 4.459 5.011 -0.552 2 1 91 . 1 1 A 10 10 MET CA C 10 55.062 54.181 0.881 2 1 92 . 1 1 A 10 10 MET CB C 10 32.482 34.587 -2.104 2 1 94 . 1 1 A 10 10 MET N N 10 122.199 121.956 0.243 2 1 95 . 1 1 A 11 11 LYS H H 11 8.317 8.592 -0.275 2 1 96 . 1 1 A 11 11 LYS HA H 11 4.296 4.786 -0.490 2 1 105 . 1 1 A 11 11 LYS CA C 11 56.114 55.292 0.822 2 1 106 . 1 1 A 11 11 LYS CB C 11 32.372 34.501 -2.129 2 1 110 . 1 1 A 11 11 LYS N N 11 122.440 122.096 0.344 2 1 111 . 1 1 A 12 12 HIS H H 12 8.489 8.689 -0.200 2 1 112 . 1 1 A 12 12 HIS HA H 12 4.748 5.069 -0.321 2 1 116 . 1 1 A 12 12 HIS CA C 12 55.052 54.865 0.187 2 1 117 . 1 1 A 12 12 HIS CB C 12 29.094 31.950 -2.856 2 1 119 . 1 1 A 12 12 HIS N N 12 119.934 121.916 -1.982 2 1 120 . 1 1 A 13 13 SER H H 13 8.401 8.670 -0.269 2 1 121 . 1 1 A 13 13 SER HA H 13 4.518 4.721 -0.203 2 1 124 . 1 1 A 13 13 SER CA C 13 57.855 57.401 0.454 2 1 125 . 1 1 A 13 13 SER CB C 13 63.750 64.626 -0.876 2 1 126 . 1 1 A 13 13 SER N N 13 117.596 117.645 -0.049 2 1 127 . 1 1 A 14 14 VAL H H 14 8.285 8.629 -0.344 2 1 128 . 1 1 A 14 14 VAL HA H 14 4.239 4.630 -0.391 2 1 136 . 1 1 A 14 14 VAL CA C 14 62.078 60.935 1.143 2 1 137 . 1 1 A 14 14 VAL CB C 14 32.564 33.849 -1.285 2 1 140 . 1 1 A 14 14 VAL N N 14 121.378 123.489 -2.111 2 1 141 . 1 1 A 15 15 SER H H 15 8.419 8.816 -0.397 2 1 142 . 1 1 A 15 15 SER HA H 15 4.556 5.055 -0.499 2 1 145 . 1 1 A 15 15 SER CA C 15 57.855 57.318 0.537 2 1 146 . 1 1 A 15 15 SER CB C 15 63.600 64.735 -1.135 2 1 147 . 1 1 A 15 15 SER N N 15 119.022 122.743 -3.721 2 1 148 . 1 1 A 16 16 THR H H 16 8.189 8.544 -0.355 2 1 149 . 1 1 A 16 16 THR HA H 16 4.362 4.913 -0.551 2 1 154 . 1 1 A 16 16 THR CA C 16 61.510 60.447 1.063 2 1 155 . 1 1 A 16 16 THR CB C 16 69.292 70.737 -1.445 2 1 157 . 1 1 A 16 16 THR N N 16 116.040 116.220 -0.180 2 1 158 . 1 1 A 17 17 LEU H H 17 8.168 8.766 -0.598 2 1 159 . 1 1 A 17 17 LEU HA H 17 4.331 4.631 -0.300 2 1 169 . 1 1 A 17 17 LEU CA C 17 55.446 54.139 1.307 2 1 170 . 1 1 A 17 17 LEU CB C 17 42.032 42.780 -0.748 2 1 174 . 1 1 A 17 17 LEU N N 17 123.796 124.406 -0.610 2 1 175 . 1 1 A 18 18 ASN H H 18 8.406 8.691 -0.285 2 1 176 . 1 1 A 18 18 ASN HA H 18 4.685 4.940 -0.255 2 1 181 . 1 1 A 18 18 ASN CA C 18 53.276 52.958 0.318 2 1 182 . 1 1 A 18 18 ASN CB C 18 38.462 39.398 -0.936 2 1 183 . 1 1 A 18 18 ASN N N 18 119.197 120.917 -1.720 2 1 185 . 1 1 A 19 19 GLN H H 19 8.346 8.459 -0.113 2 1 186 . 1 1 A 19 19 GLN HA H 19 4.319 4.632 -0.313 2 1 193 . 1 1 A 19 19 GLN CA C 19 56.075 54.888 1.187 2 1 194 . 1 1 A 19 19 GLN CB C 19 29.077 30.581 -1.504 2 1 196 . 1 1 A 19 19 GLN N N 19 120.620 120.838 -0.218 2 1 198 . 1 1 A 20 20 GLU H H 20 8.474 8.454 0.020 2 1 199 . 1 1 A 20 20 GLU HA H 20 4.269 4.528 -0.259 2 1 204 . 1 1 A 20 20 GLU CA C 20 56.932 56.151 0.781 2 1 205 . 1 1 A 20 20 GLU CB C 20 29.694 30.665 -0.971 2 1 207 . 1 1 A 20 20 GLU N N 20 121.410 121.993 -0.583 2 1 208 . 1 1 A 21 21 MET H H 21 8.366 8.625 -0.259 2 1 209 . 1 1 A 21 21 MET HA H 21 4.538 4.761 -0.224 2 1 214 . 1 1 A 21 21 MET CA C 21 55.812 54.714 1.098 2 1 215 . 1 1 A 21 21 MET CB C 21 32.188 34.362 -2.174 2 1 217 . 1 1 A 21 21 MET N N 21 120.618 123.686 -3.068 2 1 218 . 1 1 A 22 22 THR H H 22 8.127 8.494 -0.367 2 1 219 . 1 1 A 22 22 THR HA H 22 4.299 4.543 -0.244 2 1 224 . 1 1 A 22 22 THR CA C 22 62.287 61.260 1.027 2 1 225 . 1 1 A 22 22 THR CB C 22 69.174 70.472 -1.298 2 1 227 . 1 1 A 22 22 THR N N 22 114.858 113.652 1.206 2 1 228 . 1 1 A 23 23 GLN H H 23 8.342 8.396 -0.054 2 1 229 . 1 1 A 23 23 GLN HA H 23 4.339 4.392 -0.053 2 1 236 . 1 1 A 23 23 GLN CA C 23 56.148 55.745 0.403 2 1 237 . 1 1 A 23 23 GLN CB C 23 29.112 29.432 -0.320 2 1 239 . 1 1 A 23 23 GLN N N 23 122.047 120.306 1.741 2 1 241 . 1 1 A 24 24 LEU H H 24 8.174 8.409 -0.235 2 1 242 . 1 1 A 24 24 LEU HA H 24 4.334 4.649 -0.315 2 1 252 . 1 1 A 24 24 LEU CA C 24 55.519 54.505 1.014 2 1 253 . 1 1 A 24 24 LEU CB C 24 42.146 44.372 -2.226 2 1 257 . 1 1 A 24 24 LEU N N 24 122.328 124.445 -2.117 2 1 258 . 1 1 A 25 25 ASN H H 25 8.384 8.687 -0.303 2 1 259 . 1 1 A 25 25 ASN HA H 25 4.692 4.729 -0.037 2 1 264 . 1 1 A 25 25 ASN CA C 25 53.481 53.325 0.156 2 1 265 . 1 1 A 25 25 ASN CB C 25 38.445 39.576 -1.131 2 1 266 . 1 1 A 25 25 ASN N N 25 119.262 123.264 -4.002 2 1 268 . 1 1 A 26 26 GLN H H 26 8.453 8.749 -0.296 2 1 269 . 1 1 A 26 26 GLN HA H 26 4.215 3.937 0.278 2 1 276 . 1 1 A 26 26 GLN CA C 26 57.037 59.294 -2.257 2 1 277 . 1 1 A 26 26 GLN CB C 26 28.996 28.388 0.608 2 1 279 . 1 1 A 26 26 GLN N N 26 120.394 123.038 -2.644 2 1 281 . 1 1 A 27 27 GLU H H 27 8.501 8.277 0.224 2 1 282 . 1 1 A 27 27 GLU HA H 27 4.202 4.101 0.101 2 1 287 . 1 1 A 27 27 GLU CA C 27 58.573 59.263 -0.690 2 1 288 . 1 1 A 27 27 GLU CB C 27 29.349 29.521 -0.172 2 1 290 . 1 1 A 27 27 GLU N N 27 121.130 119.392 1.738 2 1 291 . 1 1 A 28 28 THR H H 28 8.032 8.069 -0.037 2 1 292 . 1 1 A 28 28 THR HA H 28 4.079 3.985 0.094 2 1 297 . 1 1 A 28 28 THR CA C 28 64.762 66.475 -1.713 2 1 298 . 1 1 A 28 28 THR CB C 28 68.354 68.253 0.101 2 1 300 . 1 1 A 28 28 THR N N 28 114.032 116.632 -2.600 2 1 301 . 1 1 A 29 29 VAL H H 29 7.969 8.106 -0.137 2 1 302 . 1 1 A 29 29 VAL HA H 29 3.812 3.568 0.244 2 1 310 . 1 1 A 29 29 VAL CA C 29 65.572 67.183 -1.611 2 1 311 . 1 1 A 29 29 VAL CB C 29 31.624 31.431 0.193 2 1 314 . 1 1 A 29 29 VAL N N 29 122.215 121.783 0.432 2 1 315 . 1 1 A 30 30 LYS H H 30 7.910 7.918 -0.008 2 1 316 . 1 1 A 30 30 LYS HA H 30 4.175 3.965 0.210 2 1 325 . 1 1 A 30 30 LYS CA C 30 57.780 59.688 -1.909 2 1 326 . 1 1 A 30 30 LYS CB C 30 31.537 32.292 -0.755 2 1 330 . 1 1 A 30 30 LYS N N 30 119.387 119.218 0.169 2 1 331 . 1 1 A 31 31 ILE H H 31 8.277 8.041 0.235 2 1 332 . 1 1 A 31 31 ILE HA H 31 3.602 3.601 0.001 2 1 342 . 1 1 A 31 31 ILE CA C 31 65.712 65.544 0.168 2 1 343 . 1 1 A 31 31 ILE CB C 31 38.559 37.809 0.750 2 1 347 . 1 1 A 31 31 ILE N N 31 121.053 120.617 0.436 2 1 348 . 1 1 A 32 32 THR H H 32 7.896 8.257 -0.361 2 1 349 . 1 1 A 32 32 THR HA H 32 4.004 3.836 0.168 2 1 354 . 1 1 A 32 32 THR CA C 32 65.922 66.929 -1.007 2 1 355 . 1 1 A 32 32 THR CB C 32 68.400 68.395 0.005 2 1 357 . 1 1 A 32 32 THR N N 32 115.554 116.785 -1.231 2 1 358 . 1 1 A 33 33 GLN H H 33 8.279 8.197 0.082 2 1 359 . 1 1 A 33 33 GLN HA H 33 3.887 3.888 -0.001 2 1 366 . 1 1 A 33 33 GLN CA C 33 59.052 59.112 -0.060 2 1 367 . 1 1 A 33 33 GLN CB C 33 27.889 28.233 -0.344 2 1 369 . 1 1 A 33 33 GLN N N 33 120.920 121.667 -0.747 2 1 371 . 1 1 A 34 34 GLN H H 34 8.671 8.076 0.595 2 1 372 . 1 1 A 34 34 GLN HA H 34 3.615 4.006 -0.391 2 1 379 . 1 1 A 34 34 GLN CA C 34 60.424 58.942 1.482 2 1 380 . 1 1 A 34 34 GLN CB C 34 30.058 28.427 1.631 2 1 382 . 1 1 A 34 34 GLN N N 34 120.388 118.982 1.406 2 1 384 . 1 1 A 35 35 ASN H H 35 8.636 8.188 0.448 2 1 385 . 1 1 A 35 35 ASN HA H 35 4.595 4.496 0.099 2 1 390 . 1 1 A 35 35 ASN CA C 35 55.363 56.020 -0.657 2 1 391 . 1 1 A 35 35 ASN CB C 35 36.904 37.740 -0.836 2 1 392 . 1 1 A 35 35 ASN N N 35 116.477 118.176 -1.699 2 1 394 . 1 1 A 36 36 ARG H H 36 8.321 7.737 0.584 2 1 395 . 1 1 A 36 36 ARG HA H 36 4.142 4.056 0.086 2 1 402 . 1 1 A 36 36 ARG CA C 36 58.582 59.035 -0.453 2 1 403 . 1 1 A 36 36 ARG CB C 36 29.712 29.980 -0.267 2 1 406 . 1 1 A 36 36 ARG N N 36 121.347 120.111 1.236 2 1 407 . 1 1 A 37 37 LEU H H 37 8.251 8.234 0.017 2 1 408 . 1 1 A 37 37 LEU HA H 37 3.788 3.737 0.051 2 1 418 . 1 1 A 37 37 LEU CA C 37 57.094 57.759 -0.665 2 1 419 . 1 1 A 37 37 LEU CB C 37 40.554 40.550 0.004 2 1 423 . 1 1 A 37 37 LEU N N 37 120.862 119.723 1.139 2 1 424 . 1 1 A 38 38 ASN H H 38 8.047 8.527 -0.480 2 1 425 . 1 1 A 38 38 ASN HA H 38 5.134 4.546 0.588 2 1 430 . 1 1 A 38 38 ASN CA C 38 54.413 56.892 -2.479 2 1 431 . 1 1 A 38 38 ASN CB C 38 38.069 39.372 -1.303 2 1 432 . 1 1 A 38 38 ASN N N 38 115.574 118.261 -2.687 2 1 434 . 1 1 A 39 39 ALA H H 39 7.878 7.885 -0.007 2 1 435 . 1 1 A 39 39 ALA HA H 39 4.342 4.081 0.261 2 1 439 . 1 1 A 39 39 ALA CA C 39 53.981 54.838 -0.857 2 1 440 . 1 1 A 39 39 ALA CB C 39 18.340 18.357 -0.017 2 1 441 . 1 1 A 39 39 ALA N N 39 123.076 121.406 1.670 2 1 442 . 1 1 A 40 40 LYS H H 40 7.431 7.505 -0.074 2 1 443 . 1 1 A 40 40 LYS HA H 40 4.528 4.328 0.200 2 1 452 . 1 1 A 40 40 LYS CA C 40 55.285 57.293 -2.008 2 1 453 . 1 1 A 40 40 LYS CB C 40 32.852 32.793 0.059 2 1 457 . 1 1 A 40 40 LYS N N 40 114.889 115.828 -0.939 2 1 458 . 1 1 A 41 41 SER H H 41 7.671 7.452 0.219 2 1 459 . 1 1 A 41 41 SER HA H 41 4.615 4.560 0.055 2 1 462 . 1 1 A 41 41 SER CA C 41 58.189 58.090 0.099 2 1 463 . 1 1 A 41 41 SER CB C 41 63.924 64.111 -0.187 2 1 464 . 1 1 A 41 41 SER N N 41 114.795 116.317 -1.522 2 1 465 . 1 1 A 42 42 SER H H 42 8.927 8.952 -0.025 2 1 466 . 1 1 A 42 42 SER HA H 42 4.792 4.540 0.252 2 1 469 . 1 1 A 42 42 SER CA C 42 58.133 59.581 -1.448 2 1 470 . 1 1 A 42 42 SER CB C 42 63.712 63.957 -0.245 2 1 471 . 1 1 A 42 42 SER N N 42 120.934 122.733 -1.799 2 1 472 . 1 1 A 43 43 SER H H 43 8.320 7.823 0.497 2 1 473 . 1 1 A 43 43 SER HA H 43 4.654 4.749 -0.095 2 1 476 . 1 1 A 43 43 SER CA C 43 57.309 57.368 -0.059 2 1 477 . 1 1 A 43 43 SER CB C 43 63.151 64.451 -1.300 2 1 478 . 1 1 A 43 43 SER N N 43 115.966 114.630 1.336 2 1 479 . 1 1 A 44 44 GLY H H 44 8.182 8.424 -0.242 2 1 480 . 1 1 A 44 44 GLY HA2 H 44 4.206 4.061 0.145 2 1 481 . 1 1 A 44 44 GLY HA3 H 44 4.399 4.086 0.313 2 1 482 . 1 1 A 44 44 GLY CA C 44 44.540 44.774 -0.234 2 1 483 . 1 1 A 44 44 GLY N N 44 110.764 113.446 -2.682 2 1 484 . 1 1 A 45 45 VAL H H 45 8.341 8.150 0.191 2 1 485 . 1 1 A 45 45 VAL HA H 45 4.845 5.030 -0.185 2 1 493 . 1 1 A 45 45 VAL CA C 45 58.981 59.802 -0.821 2 1 494 . 1 1 A 45 45 VAL CB C 45 35.239 34.827 0.412 2 1 497 . 1 1 A 45 45 VAL N N 45 114.116 117.056 -2.940 2 1 498 . 1 1 A 46 46 TYR H H 46 10.501 9.002 1.499 2 1 499 . 1 1 A 46 46 TYR HA H 46 5.004 5.178 -0.174 2 1 506 . 1 1 A 46 46 TYR CA C 46 58.121 57.171 0.950 2 1 507 . 1 1 A 46 46 TYR CB C 46 41.382 39.306 2.076 2 1 510 . 1 1 A 46 46 TYR N N 46 123.384 123.425 -0.041 2 1 511 . 1 1 A 47 47 LEU H H 47 9.364 9.387 -0.023 2 1 512 . 1 1 A 47 47 LEU HA H 47 4.695 5.049 -0.354 2 1 522 . 1 1 A 47 47 LEU CA C 47 52.769 53.761 -0.992 2 1 523 . 1 1 A 47 47 LEU CB C 47 44.689 43.221 1.467 2 1 527 . 1 1 A 47 47 LEU N N 47 118.822 125.527 -6.705 2 1 528 . 1 1 A 48 48 LEU H H 48 9.128 9.050 0.078 2 1 529 . 1 1 A 48 48 LEU HA H 48 5.232 4.796 0.436 2 1 539 . 1 1 A 48 48 LEU CA C 48 51.100 51.657 -0.557 2 1 540 . 1 1 A 48 48 LEU CB C 48 40.141 42.798 -2.657 2 1 544 . 1 1 A 48 48 LEU N N 48 123.384 125.440 -2.056 2 1 545 . 1 1 A 49 49 PRO HA H 49 4.090 4.317 -0.227 2 1 552 . 1 1 A 49 49 PRO CA C 49 64.912 64.639 0.273 2 1 553 . 1 1 A 49 49 PRO CB C 49 31.607 31.761 -0.154 2 1 556 . 1 1 A 50 50 GLY H H 50 9.181 8.515 0.666 2 1 557 . 1 1 A 50 50 GLY HA2 H 50 3.933 3.954 -0.021 2 1 558 . 1 1 A 50 50 GLY HA3 H 50 4.757 3.957 0.800 2 1 559 . 1 1 A 50 50 GLY CA C 50 45.499 45.747 -0.248 2 1 560 . 1 1 A 50 50 GLY N N 50 106.827 107.490 -0.663 2 1 561 . 1 1 A 51 51 ALA H H 51 7.857 7.733 0.124 2 1 562 . 1 1 A 51 51 ALA HA H 51 4.264 4.485 -0.221 2 1 566 . 1 1 A 51 51 ALA CA C 51 53.156 51.013 2.143 2 1 567 . 1 1 A 51 51 ALA CB C 51 18.492 19.505 -1.013 2 1 568 . 1 1 A 51 51 ALA N N 51 120.192 122.100 -1.908 2 1 569 . 1 1 A 52 52 LYS H H 52 7.787 8.616 -0.829 2 1 570 . 1 1 A 52 52 LYS HA H 52 4.094 4.384 -0.290 2 1 579 . 1 1 A 52 52 LYS CA C 52 56.979 56.233 0.746 2 1 580 . 1 1 A 52 52 LYS CB C 52 30.731 31.227 -0.496 2 1 584 . 1 1 A 52 52 LYS N N 52 115.260 123.349 -8.089 2 1 585 . 1 1 A 53 53 THR H H 53 8.043 8.033 0.010 2 1 586 . 1 1 A 53 53 THR HA H 53 4.924 4.957 -0.033 2 1 591 . 1 1 A 53 53 THR CA C 53 59.565 58.785 0.780 2 1 592 . 1 1 A 53 53 THR CB C 53 72.729 70.409 2.320 2 1 594 . 1 1 A 53 53 THR N N 53 114.085 113.045 1.040 2 1 595 . 1 1 A 54 54 PRO HA H 54 4.860 4.992 -0.132 2 1 602 . 1 1 A 54 54 PRO CA C 54 62.176 62.329 -0.153 2 1 603 . 1 1 A 54 54 PRO CB C 54 32.820 32.665 0.155 2 1 606 . 1 1 A 55 55 ALA H H 55 8.834 8.565 0.269 2 1 607 . 1 1 A 55 55 ALA HA H 55 4.824 4.955 -0.131 2 1 611 . 1 1 A 55 55 ALA CA C 55 50.500 50.743 -0.243 2 1 612 . 1 1 A 55 55 ALA CB C 55 22.858 22.590 0.268 2 1 613 . 1 1 A 55 55 ALA N N 55 122.227 122.516 -0.289 2 1 614 . 1 1 A 56 56 ARG H H 56 8.445 8.664 -0.219 2 1 615 . 1 1 A 56 56 ARG HA H 56 5.262 4.769 0.493 2 1 623 . 1 1 A 56 56 ARG CA C 56 54.401 55.627 -1.226 2 1 624 . 1 1 A 56 56 ARG CB C 56 32.849 31.343 1.506 2 1 627 . 1 1 A 56 56 ARG N N 56 121.194 122.880 -1.686 2 1 629 . 1 1 A 57 57 LEU H H 57 9.159 9.122 0.037 2 1 630 . 1 1 A 57 57 LEU HA H 57 4.672 5.024 -0.353 2 1 640 . 1 1 A 57 57 LEU CA C 57 53.028 53.732 -0.704 2 1 641 . 1 1 A 57 57 LEU CB C 57 46.231 45.639 0.592 2 1 645 . 1 1 A 57 57 LEU N N 57 125.694 127.659 -1.965 2 1 646 . 1 1 A 58 58 GLU H H 58 8.890 8.915 -0.025 2 1 647 . 1 1 A 58 58 GLU HA H 58 4.535 4.717 -0.182 2 1 652 . 1 1 A 58 58 GLU CA C 58 55.733 55.701 0.032 2 1 653 . 1 1 A 58 58 GLU CB C 58 27.970 30.590 -2.620 2 1 655 . 1 1 A 58 58 GLU N N 58 127.677 128.117 -0.440 2 1 656 . 1 1 A 59 59 SER H H 59 7.772 8.766 -0.994 2 1 657 . 1 1 A 59 59 SER HA H 59 4.970 4.964 0.006 2 1 661 . 1 1 A 59 59 SER CA C 59 57.576 56.236 1.340 2 1 662 . 1 1 A 59 59 SER CB C 59 69.174 66.027 3.147 2 1 663 . 1 1 A 59 59 SER N N 59 121.860 120.288 1.572 2 1 664 . 1 1 A 60 60 GLN H H 60 9.336 8.360 0.976 2 1 665 . 1 1 A 60 60 GLN HA H 60 4.262 4.182 0.080 2 1 672 . 1 1 A 60 60 GLN CA C 60 57.792 57.821 -0.029 2 1 673 . 1 1 A 60 60 GLN CB C 60 29.669 28.422 1.247 2 1 675 . 1 1 A 60 60 GLN N N 60 119.522 117.870 1.652 2 1 677 . 1 1 A 61 61 ILE H H 61 8.007 7.469 0.538 2 1 678 . 1 1 A 61 61 ILE HA H 61 4.623 4.339 0.284 2 1 688 . 1 1 A 61 61 ILE CA C 61 59.813 61.064 -1.251 2 1 689 . 1 1 A 61 61 ILE CB C 61 37.013 38.989 -1.976 2 1 693 . 1 1 A 61 61 ILE N N 61 109.398 112.332 -2.934 2 1 694 . 1 1 A 62 62 GLY H H 62 7.223 7.044 0.179 2 1 695 . 1 1 A 62 62 GLY HA2 H 62 4.493 4.042 0.451 2 1 696 . 1 1 A 62 62 GLY HA3 H 62 3.872 4.059 -0.187 2 1 697 . 1 1 A 62 62 GLY CA C 62 43.022 44.898 -1.876 2 1 698 . 1 1 A 62 62 GLY N N 62 109.035 109.329 -0.294 2 1 699 . 1 1 A 63 63 THR H H 63 8.910 8.492 0.418 2 1 700 . 1 1 A 63 63 THR HA H 63 4.599 4.687 -0.088 2 1 705 . 1 1 A 63 63 THR CA C 63 64.037 62.969 1.068 2 1 706 . 1 1 A 63 63 THR CB C 63 68.111 69.536 -1.425 2 1 708 . 1 1 A 63 63 THR N N 63 119.711 116.317 3.394 2 1 709 . 1 1 A 64 64 LEU H H 64 9.070 8.983 0.087 2 1 710 . 1 1 A 64 64 LEU HA H 64 5.120 5.265 -0.145 2 1 720 . 1 1 A 64 64 LEU CA C 64 52.680 52.761 -0.081 2 1 721 . 1 1 A 64 64 LEU CB C 64 44.749 46.060 -1.311 2 1 725 . 1 1 A 64 64 LEU N N 64 127.640 123.074 4.566 2 1 726 . 1 1 A 65 65 ARG H H 65 9.271 8.952 0.319 2 1 727 . 1 1 A 65 65 ARG HA H 65 4.989 5.247 -0.258 2 1 735 . 1 1 A 65 65 ARG CA C 65 54.814 54.653 0.161 2 1 736 . 1 1 A 65 65 ARG CB C 65 31.836 33.204 -1.368 2 1 739 . 1 1 A 65 65 ARG N N 65 122.680 119.829 2.851 2 1 741 . 1 1 A 66 66 MET H H 66 9.310 9.020 0.290 2 1 742 . 1 1 A 66 66 MET HA H 66 5.822 5.816 0.006 2 1 747 . 1 1 A 66 66 MET CA C 66 53.936 54.036 -0.100 2 1 748 . 1 1 A 66 66 MET CB C 66 35.912 35.462 0.450 2 1 750 . 1 1 A 66 66 MET N N 66 125.309 126.113 -0.804 2 1 751 . 1 1 A 67 67 SER H H 67 8.943 8.685 0.258 2 1 752 . 1 1 A 67 67 SER HA H 67 4.660 5.051 -0.391 2 1 755 . 1 1 A 67 67 SER CA C 67 57.460 56.880 0.580 2 1 756 . 1 1 A 67 67 SER CB C 67 65.747 65.651 0.096 2 1 757 . 1 1 A 67 67 SER N N 67 112.115 115.330 -3.215 2 1 758 . 1 1 A 68 68 LEU H H 68 8.410 8.777 -0.367 2 1 759 . 1 1 A 68 68 LEU HA H 68 5.115 5.038 0.077 2 1 769 . 1 1 A 68 68 LEU CA C 68 52.837 53.575 -0.738 2 1 770 . 1 1 A 68 68 LEU CB C 68 42.269 42.813 -0.544 2 1 774 . 1 1 A 68 68 LEU N N 68 118.367 123.761 -5.394 2 1 775 . 1 1 A 69 69 VAL H H 69 9.060 8.399 0.661 2 1 776 . 1 1 A 69 69 VAL HA H 69 4.440 4.588 -0.148 2 1 784 . 1 1 A 69 69 VAL CA C 69 59.852 59.606 0.246 2 1 785 . 1 1 A 69 69 VAL CB C 69 35.349 35.170 0.179 2 1 788 . 1 1 A 69 69 VAL N N 69 119.888 118.764 1.124 2 1 789 . 1 1 A 70 70 ASN H H 70 8.651 8.759 -0.108 2 1 790 . 1 1 A 70 70 ASN HA H 70 4.345 4.229 0.116 2 1 795 . 1 1 A 70 70 ASN CA C 70 53.555 54.085 -0.530 2 1 796 . 1 1 A 70 70 ASN CB C 70 36.932 36.851 0.081 2 1 797 . 1 1 A 70 70 ASN N N 70 119.166 117.854 1.312 2 1 799 . 1 1 A 71 71 ILE H H 71 8.449 8.016 0.433 2 1 800 . 1 1 A 71 71 ILE HA H 71 4.235 4.106 0.129 2 1 810 . 1 1 A 71 71 ILE CA C 71 63.104 61.770 1.334 2 1 811 . 1 1 A 71 71 ILE CB C 71 37.200 37.096 0.105 2 1 815 . 1 1 A 71 71 ILE N N 71 121.388 119.517 1.871 2 1 816 . 1 1 A 72 72 THR H H 72 9.511 8.751 0.760 2 1 817 . 1 1 A 72 72 THR HA H 72 4.967 5.096 -0.129 2 1 822 . 1 1 A 72 72 THR CA C 72 59.584 58.426 1.158 2 1 823 . 1 1 A 72 72 THR CB C 72 71.930 70.464 1.466 2 1 825 . 1 1 A 72 72 THR N N 72 125.726 117.833 7.893 2 1 826 . 1 1 A 73 73 PRO HA H 73 4.822 4.607 0.215 2 1 833 . 1 1 A 73 73 PRO CA C 73 63.362 62.768 0.594 2 1 834 . 1 1 A 73 73 PRO CB C 73 32.451 32.585 -0.134 2 1 837 . 1 1 A 74 74 ASP H H 74 8.404 8.878 -0.474 2 1 838 . 1 1 A 74 74 ASP HA H 74 4.824 5.019 -0.195 2 1 841 . 1 1 A 74 74 ASP CA C 74 52.609 52.794 -0.185 2 1 842 . 1 1 A 74 74 ASP CB C 74 43.743 43.891 -0.148 2 1 843 . 1 1 A 74 74 ASP N N 74 122.325 121.733 0.593 2 1 844 . 1 1 A 75 75 ALA H H 75 8.539 8.802 -0.263 2 1 845 . 1 1 A 75 75 ALA HA H 75 4.062 4.038 0.024 2 1 849 . 1 1 A 75 75 ALA CA C 75 54.431 55.298 -0.867 2 1 850 . 1 1 A 75 75 ALA CB C 75 18.117 18.259 -0.142 2 1 851 . 1 1 A 75 75 ALA N N 75 123.501 126.353 -2.852 2 1 852 . 1 1 A 76 76 ASP H H 76 8.356 8.093 0.263 2 1 853 . 1 1 A 76 76 ASP HA H 76 4.815 4.608 0.207 2 1 856 . 1 1 A 76 76 ASP CA C 76 53.161 55.373 -2.212 2 1 857 . 1 1 A 76 76 ASP CB C 76 41.234 41.891 -0.657 2 1 858 . 1 1 A 76 76 ASP N N 76 115.326 116.486 -1.160 2 1 859 . 1 1 A 77 77 GLY H H 77 7.569 7.427 0.142 2 1 860 . 1 1 A 77 77 GLY HA2 H 77 3.925 4.089 -0.164 2 1 861 . 1 1 A 77 77 GLY HA3 H 77 4.508 4.097 0.411 2 1 862 . 1 1 A 77 77 GLY CA C 77 46.675 46.026 0.649 2 1 863 . 1 1 A 77 77 GLY N N 77 109.452 104.873 4.579 2 1 864 . 1 1 A 78 78 THR H H 78 8.272 8.442 -0.170 2 1 865 . 1 1 A 78 78 THR HA H 78 4.655 4.992 -0.337 2 1 870 . 1 1 A 78 78 THR CA C 78 63.204 61.152 2.052 2 1 871 . 1 1 A 78 78 THR CB C 78 72.222 71.949 0.273 2 1 873 . 1 1 A 78 78 THR N N 78 122.442 115.223 7.219 2 1 874 . 1 1 A 79 79 THR H H 79 9.027 9.015 0.012 2 1 875 . 1 1 A 79 79 THR HA H 79 5.164 5.526 -0.362 2 1 880 . 1 1 A 79 79 THR CA C 79 60.303 60.375 -0.072 2 1 881 . 1 1 A 79 79 THR CB C 79 70.442 70.426 0.016 2 1 883 . 1 1 A 79 79 THR N N 79 121.451 118.470 2.981 2 1 884 . 1 1 A 80 80 LEU H H 80 8.698 8.908 -0.210 2 1 885 . 1 1 A 80 80 LEU HA H 80 4.835 5.193 -0.358 2 1 895 . 1 1 A 80 80 LEU CA C 80 54.194 53.229 0.965 2 1 896 . 1 1 A 80 80 LEU CB C 80 44.576 45.977 -1.401 2 1 900 . 1 1 A 80 80 LEU N N 80 119.374 123.485 -4.111 2 1 901 . 1 1 A 81 81 THR H H 81 8.675 8.901 -0.226 2 1 902 . 1 1 A 81 81 THR HA H 81 4.740 4.805 -0.065 2 1 907 . 1 1 A 81 81 THR CA C 81 61.838 62.250 -0.412 2 1 908 . 1 1 A 81 81 THR CB C 81 70.190 69.620 0.570 2 1 910 . 1 1 A 81 81 THR N N 81 116.982 116.404 0.578 2 1 911 . 1 1 A 82 82 LEU H H 82 8.898 9.055 -0.157 2 1 912 . 1 1 A 82 82 LEU HA H 82 4.748 4.895 -0.147 2 1 922 . 1 1 A 82 82 LEU CA C 82 53.076 54.185 -1.109 2 1 923 . 1 1 A 82 82 LEU CB C 82 43.189 43.322 -0.133 2 1 927 . 1 1 A 82 82 LEU N N 82 130.905 129.976 0.929 2 1 928 . 1 1 A 83 83 ARG H H 83 9.162 8.827 0.335 2 1 929 . 1 1 A 83 83 ARG HA H 83 5.174 4.913 0.261 2 1 936 . 1 1 A 83 83 ARG CA C 83 54.441 55.351 -0.910 2 1 937 . 1 1 A 83 83 ARG CB C 83 31.332 31.593 -0.261 2 1 940 . 1 1 A 83 83 ARG N N 83 131.064 126.489 4.575 2 1 941 . 1 1 A 84 84 ILE H H 84 9.474 9.358 0.116 2 1 942 . 1 1 A 84 84 ILE HA H 84 4.611 4.785 -0.174 2 1 952 . 1 1 A 84 84 ILE CA C 84 60.486 60.437 0.049 2 1 953 . 1 1 A 84 84 ILE CB C 84 40.120 38.755 1.365 2 1 957 . 1 1 A 84 84 ILE N N 84 128.394 125.077 3.317 2 1 958 . 1 1 A 85 85 GLN H H 85 9.137 9.045 0.092 2 1 959 . 1 1 A 85 85 GLN HA H 85 5.457 4.891 0.566 2 1 966 . 1 1 A 85 85 GLN CA C 85 53.109 54.686 -1.577 2 1 967 . 1 1 A 85 85 GLN CB C 85 32.450 30.533 1.917 2 1 969 . 1 1 A 85 85 GLN N N 85 124.857 127.198 -2.341 2 1 971 . 1 1 A 86 86 GLY H H 86 9.090 8.715 0.375 2 1 972 . 1 1 A 86 86 GLY HA2 H 86 3.813 4.053 -0.239 2 1 973 . 1 1 A 86 86 GLY HA3 H 86 4.499 4.067 0.432 2 1 974 . 1 1 A 86 86 GLY CA C 86 44.877 45.345 -0.468 2 1 975 . 1 1 A 86 86 GLY N N 86 110.702 112.436 -1.734 2 1 976 . 1 1 A 87 87 GLU H H 87 8.128 8.758 -0.630 2 1 977 . 1 1 A 87 87 GLU HA H 87 4.472 4.187 0.285 2 1 982 . 1 1 A 87 87 GLU CA C 87 56.057 58.274 -2.217 2 1 983 . 1 1 A 87 87 GLU CB C 87 29.943 29.579 0.364 2 1 985 . 1 1 A 87 87 GLU N N 87 120.445 122.584 -2.139 2 1 986 . 1 1 A 88 88 SER H H 88 8.063 7.831 0.232 2 1 987 . 1 1 A 88 88 SER HA H 88 4.469 4.558 -0.089 2 1 990 . 1 1 A 88 88 SER CA C 88 57.472 58.222 -0.750 2 1 991 . 1 1 A 88 88 SER CB C 88 63.799 64.349 -0.550 2 1 992 . 1 1 A 88 88 SER N N 88 113.821 114.504 -0.683 2 1 993 . 1 1 A 89 89 ASN H H 89 8.502 8.833 -0.331 2 1 994 . 1 1 A 89 89 ASN HA H 89 4.533 4.704 -0.171 2 1 999 . 1 1 A 89 89 ASN CA C 89 53.715 54.594 -0.879 2 1 1000 . 1 1 A 89 89 ASN CB C 89 38.212 38.643 -0.431 2 1 1001 . 1 1 A 89 89 ASN N N 89 119.482 121.876 -2.394 2 1 1003 . 1 1 A 90 90 ASP H H 90 8.104 7.679 0.425 2 1 1004 . 1 1 A 90 90 ASP HA H 90 5.061 4.836 0.225 2 1 1007 . 1 1 A 90 90 ASP CA C 90 51.392 52.308 -0.916 2 1 1008 . 1 1 A 90 90 ASP CB C 90 41.223 40.940 0.283 2 1 1009 . 1 1 A 90 90 ASP N N 90 119.891 119.582 0.309 2 1 1010 . 1 1 A 91 91 PRO HA H 91 4.156 4.755 -0.599 2 1 1017 . 1 1 A 91 91 PRO CA C 91 62.200 62.850 -0.650 2 1 1018 . 1 1 A 91 91 PRO CB C 91 30.844 31.897 -1.053 2 1 1021 . 1 1 A 92 92 LEU H H 92 8.206 8.438 -0.232 2 1 1022 . 1 1 A 92 92 LEU HA H 92 4.504 4.667 -0.163 2 1 1032 . 1 1 A 92 92 LEU CA C 92 52.697 52.861 -0.164 2 1 1033 . 1 1 A 92 92 LEU CB C 92 41.249 41.916 -0.667 2 1 1037 . 1 1 A 92 92 LEU N N 92 123.954 123.632 0.322 2 1 1038 . 1 1 A 93 93 PRO HA H 93 4.808 4.636 0.172 2 1 1045 . 1 1 A 93 93 PRO CA C 93 61.122 62.328 -1.206 2 1 1046 . 1 1 A 93 93 PRO CB C 93 32.289 32.649 -0.360 2 1 1049 . 1 1 A 94 94 ALA H H 94 8.420 8.399 0.021 2 1 1050 . 1 1 A 94 94 ALA HA H 94 4.164 4.429 -0.265 2 1 1054 . 1 1 A 94 94 ALA CA C 94 52.655 52.737 -0.082 2 1 1055 . 1 1 A 94 94 ALA CB C 94 18.563 19.566 -1.003 2 1 1056 . 1 1 A 94 94 ALA N N 94 120.368 123.211 -2.843 2 1 1057 . 1 1 A 95 95 PHE H H 95 7.961 7.884 0.077 2 1 1058 . 1 1 A 95 95 PHE HA H 95 5.489 5.567 -0.078 2 1 1066 . 1 1 A 95 95 PHE CA C 95 56.213 55.566 0.647 2 1 1067 . 1 1 A 95 95 PHE CB C 95 41.552 42.289 -0.737 2 1 1071 . 1 1 A 95 95 PHE N N 95 115.209 116.996 -1.787 2 1 1072 . 1 1 A 96 96 SER H H 96 9.231 9.245 -0.014 2 1 1073 . 1 1 A 96 96 SER HA H 96 5.427 5.432 -0.005 2 1 1076 . 1 1 A 96 96 SER CA C 96 55.549 56.794 -1.245 2 1 1077 . 1 1 A 96 96 SER CB C 96 66.681 66.277 0.404 2 1 1078 . 1 1 A 96 96 SER N N 96 114.106 114.248 -0.142 2 1 1079 . 1 1 A 97 97 GLY H H 97 8.269 8.376 -0.107 2 1 1080 . 1 1 A 97 97 GLY HA2 H 97 4.612 4.270 0.342 2 1 1081 . 1 1 A 97 97 GLY HA3 H 97 3.571 4.296 -0.725 2 1 1082 . 1 1 A 97 97 GLY CA C 97 45.139 45.466 -0.327 2 1 1083 . 1 1 A 97 97 GLY N N 97 104.730 108.163 -3.433 2 1 1084 . 1 1 A 98 98 THR H H 98 8.068 8.483 -0.415 2 1 1085 . 1 1 A 98 98 THR HA H 98 4.836 5.018 -0.182 2 1 1090 . 1 1 A 98 98 THR CA C 98 62.462 61.561 0.901 2 1 1091 . 1 1 A 98 98 THR CB C 98 70.240 70.034 0.205 2 1 1093 . 1 1 A 98 98 THR N N 98 115.596 115.817 -0.221 2 1 1094 . 1 1 A 99 99 VAL H H 99 9.016 9.291 -0.275 2 1 1095 . 1 1 A 99 99 VAL HA H 99 5.040 5.097 -0.057 2 1 1103 . 1 1 A 99 99 VAL CA C 99 59.695 60.018 -0.323 2 1 1104 . 1 1 A 99 99 VAL CB C 99 33.810 33.980 -0.170 2 1 1107 . 1 1 A 99 99 VAL N N 99 124.571 124.690 -0.119 2 1 1108 . 1 1 A 100 100 GLU H H 100 9.595 9.304 0.291 2 1 1109 . 1 1 A 100 100 GLU HA H 100 5.463 5.009 0.454 2 1 1114 . 1 1 A 100 100 GLU CA C 100 53.132 55.459 -2.327 2 1 1115 . 1 1 A 100 100 GLU CB C 100 31.806 30.979 0.827 2 1 1117 . 1 1 A 100 100 GLU N N 100 125.607 126.431 -0.824 2 1 1118 . 1 1 A 101 101 TYR H H 101 8.576 8.668 -0.092 2 1 1119 . 1 1 A 101 101 TYR HA H 101 4.568 5.597 -1.029 2 1 1126 . 1 1 A 101 101 TYR CA C 101 54.809 55.085 -0.276 2 1 1127 . 1 1 A 101 101 TYR CB C 101 39.516 41.428 -1.912 2 1 1130 . 1 1 A 101 101 TYR N N 101 117.224 121.758 -4.534 2 1 1131 . 1 1 A 102 102 GLY H H 102 6.489 7.437 -0.948 2 1 1132 . 1 1 A 102 102 GLY HA2 H 102 3.948 4.146 -0.198 2 1 1133 . 1 1 A 102 102 GLY HA3 H 102 4.190 4.199 -0.008 2 1 1134 . 1 1 A 102 102 GLY CA C 102 46.509 45.850 0.659 2 1 1135 . 1 1 A 102 102 GLY N N 102 103.890 106.474 -2.584 2 1 1136 . 1 1 A 103 103 GLN H H 103 8.789 8.880 -0.091 2 1 1137 . 1 1 A 103 103 GLN HA H 103 4.893 5.246 -0.353 2 1 1144 . 1 1 A 103 103 GLN CA C 103 54.742 54.307 0.435 2 1 1145 . 1 1 A 103 103 GLN CB C 103 31.972 32.555 -0.583 2 1 1147 . 1 1 A 103 103 GLN N N 103 121.055 120.352 0.703 2 1 1149 . 1 1 A 104 104 ILE H H 104 8.877 9.029 -0.152 2 1 1150 . 1 1 A 104 104 ILE HA H 104 5.033 4.819 0.214 2 1 1160 . 1 1 A 104 104 ILE CA C 104 59.495 60.443 -0.948 2 1 1161 . 1 1 A 104 104 ILE CB C 104 40.485 39.826 0.659 2 1 1165 . 1 1 A 104 104 ILE N N 104 119.483 122.150 -2.667 2 1 1166 . 1 1 A 105 105 GLN H H 105 8.807 8.595 0.212 2 1 1167 . 1 1 A 105 105 GLN HA H 105 4.785 4.692 0.093 2 1 1174 . 1 1 A 105 105 GLN CA C 105 53.586 55.508 -1.922 2 1 1175 . 1 1 A 105 105 GLN CB C 105 32.029 29.330 2.699 2 1 1177 . 1 1 A 105 105 GLN N N 105 126.014 123.808 2.206 2 1 1179 . 1 1 A 106 106 GLY H H 106 8.680 8.019 0.661 2 1 1180 . 1 1 A 106 106 GLY HA2 H 106 4.878 4.142 0.736 2 1 1181 . 1 1 A 106 106 GLY HA3 H 106 3.898 4.182 -0.284 2 1 1182 . 1 1 A 106 106 GLY CA C 106 43.994 45.038 -1.044 2 1 1183 . 1 1 A 106 106 GLY N N 106 111.899 109.439 2.460 2 1 1184 . 1 1 A 107 107 THR H H 107 7.984 8.558 -0.574 2 1 1185 . 1 1 A 107 107 THR HA H 107 4.571 4.753 -0.182 2 1 1190 . 1 1 A 107 107 THR CA C 107 59.611 60.325 -0.714 2 1 1191 . 1 1 A 107 107 THR CB C 107 71.146 71.348 -0.202 2 1 1193 . 1 1 A 107 107 THR N N 107 111.498 111.251 0.247 2 1 1194 . 1 1 A 108 108 ILE H H 108 8.345 8.884 -0.539 2 1 1195 . 1 1 A 108 108 ILE HA H 108 3.775 3.715 0.060 2 1 1205 . 1 1 A 108 108 ILE CA C 108 62.916 64.171 -1.255 2 1 1206 . 1 1 A 108 108 ILE CB C 108 37.737 37.274 0.463 2 1 1210 . 1 1 A 108 108 ILE N N 108 117.576 121.980 -4.404 2 1 1211 . 1 1 A 109 109 ASP H H 109 7.753 7.861 -0.108 2 1 1212 . 1 1 A 109 109 ASP HA H 109 4.564 4.626 -0.062 2 1 1215 . 1 1 A 109 109 ASP CA C 109 54.540 56.249 -1.709 2 1 1216 . 1 1 A 109 109 ASP CB C 109 41.360 41.840 -0.480 2 1 1217 . 1 1 A 109 109 ASP N N 109 116.045 120.520 -4.475 2 1 1218 . 1 1 A 110 110 ASN H H 110 7.719 7.920 -0.201 2 1 1219 . 1 1 A 110 110 ASN HA H 110 4.723 5.032 -0.309 2 1 1224 . 1 1 A 110 110 ASN CA C 110 53.036 52.116 0.920 2 1 1225 . 1 1 A 110 110 ASN CB C 110 38.443 39.844 -1.401 2 1 1226 . 1 1 A 110 110 ASN N N 110 119.075 114.054 5.021 2 1 1228 . 1 1 A 111 111 PHE H H 111 7.977 8.449 -0.472 2 1 1229 . 1 1 A 111 111 PHE HA H 111 5.249 5.535 -0.286 2 1 1237 . 1 1 A 111 111 PHE CA C 111 56.627 55.299 1.328 2 1 1238 . 1 1 A 111 111 PHE CB C 111 40.215 42.191 -1.976 2 1 1242 . 1 1 A 111 111 PHE N N 111 122.138 119.256 2.882 2 1 1243 . 1 1 A 112 112 GLN H H 112 8.715 8.739 -0.024 2 1 1244 . 1 1 A 112 112 GLN HA H 112 4.540 4.814 -0.274 2 1 1251 . 1 1 A 112 112 GLN CA C 112 54.035 54.453 -0.418 2 1 1252 . 1 1 A 112 112 GLN CB C 112 31.861 31.285 0.576 2 1 1254 . 1 1 A 112 112 GLN N N 112 119.575 120.013 -0.438 2 1 1256 . 1 1 A 113 113 GLU H H 113 8.546 8.783 -0.237 2 1 1257 . 1 1 A 113 113 GLU HA H 113 4.780 4.832 -0.052 2 1 1262 . 1 1 A 113 113 GLU CA C 113 55.412 56.354 -0.942 2 1 1263 . 1 1 A 113 113 GLU CB C 113 29.886 30.247 -0.361 2 1 1265 . 1 1 A 113 113 GLU N N 113 122.846 123.388 -0.542 2 1 1266 . 1 1 A 114 114 ILE H H 114 8.913 8.572 0.341 2 1 1267 . 1 1 A 114 114 ILE HA H 114 4.662 4.652 0.010 2 1 1277 . 1 1 A 114 114 ILE CA C 114 59.144 59.430 -0.286 2 1 1278 . 1 1 A 114 114 ILE CB C 114 41.873 40.688 1.185 2 1 1282 . 1 1 A 114 114 ILE N N 114 120.222 120.635 -0.413 2 1 1283 . 1 1 A 115 115 ASN H H 115 8.916 8.772 0.144 2 1 1284 . 1 1 A 115 115 ASN HA H 115 4.340 4.214 0.126 2 1 1289 . 1 1 A 115 115 ASN CA C 115 53.444 54.191 -0.747 2 1 1290 . 1 1 A 115 115 ASN CB C 115 36.467 37.102 -0.635 2 1 1291 . 1 1 A 115 115 ASN N N 115 120.916 118.819 2.097 2 1 1293 . 1 1 A 116 116 VAL H H 116 8.044 7.854 0.190 2 1 1294 . 1 1 A 116 116 VAL HA H 116 4.389 4.521 -0.132 2 1 1302 . 1 1 A 116 116 VAL CA C 116 63.183 61.069 2.114 2 1 1303 . 1 1 A 116 116 VAL CB C 116 32.216 32.924 -0.708 2 1 1306 . 1 1 A 116 116 VAL N N 116 117.046 118.802 -1.756 2 1 1307 . 1 1 A 117 117 GLN H H 117 8.582 8.558 0.024 2 1 1308 . 1 1 A 117 117 GLN HA H 117 4.550 4.805 -0.255 2 1 1315 . 1 1 A 117 117 GLN CA C 117 53.827 53.732 0.095 2 1 1316 . 1 1 A 117 117 GLN CB C 117 33.119 31.817 1.302 2 1 1318 . 1 1 A 117 117 GLN N N 117 127.086 126.372 0.714 2 1 1320 . 1 1 A 118 118 ASN H H 118 8.330 8.761 -0.431 2 1 1321 . 1 1 A 118 118 ASN HA H 118 5.845 6.052 -0.207 2 1 1326 . 1 1 A 118 118 ASN CA C 118 51.736 51.445 0.291 2 1 1327 . 1 1 A 118 118 ASN CB C 118 42.644 41.488 1.156 2 1 1328 . 1 1 A 118 118 ASN N N 118 113.251 117.665 -4.414 2 1 1330 . 1 1 A 119 119 GLN H H 119 9.187 8.854 0.333 2 1 1331 . 1 1 A 119 119 GLN HA H 119 4.693 4.957 -0.264 2 1 1338 . 1 1 A 119 119 GLN CA C 119 55.160 54.638 0.522 2 1 1339 . 1 1 A 119 119 GLN CB C 119 34.157 32.896 1.261 2 1 1341 . 1 1 A 119 119 GLN N N 119 116.799 120.791 -3.992 2 1 1343 . 1 1 A 120 120 LEU H H 120 8.544 8.902 -0.358 2 1 1344 . 1 1 A 120 120 LEU HA H 120 5.059 5.090 -0.031 2 1 1354 . 1 1 A 120 120 LEU CA C 120 54.327 53.633 0.694 2 1 1355 . 1 1 A 120 120 LEU CB C 120 42.839 42.693 0.146 2 1 1359 . 1 1 A 120 120 LEU N N 120 123.292 125.739 -2.447 2 1 1360 . 1 1 A 121 121 ILE H H 121 8.657 9.032 -0.375 2 1 1361 . 1 1 A 121 121 ILE HA H 121 4.778 4.849 -0.071 2 1 1371 . 1 1 A 121 121 ILE CA C 121 58.770 59.765 -0.995 2 1 1372 . 1 1 A 121 121 ILE CB C 121 41.582 39.375 2.207 2 1 1376 . 1 1 A 121 121 ILE N N 121 116.046 122.473 -6.427 2 1 1377 . 1 1 A 122 122 ASN H H 122 8.329 8.983 -0.654 2 1 1378 . 1 1 A 122 122 ASN HA H 122 5.068 5.332 -0.264 2 1 1383 . 1 1 A 122 122 ASN CA C 122 52.654 52.021 0.633 2 1 1384 . 1 1 A 122 122 ASN CB C 122 42.112 40.526 1.586 2 1 1385 . 1 1 A 122 122 ASN N N 122 118.416 124.470 -6.054 2 1 1387 . 1 1 A 123 123 ALA H H 123 8.547 8.513 0.034 2 1 1388 . 1 1 A 123 123 ALA HA H 123 4.597 4.631 -0.034 2 1 1392 . 1 1 A 123 123 ALA CA C 123 48.537 49.274 -0.737 2 1 1393 . 1 1 A 123 123 ALA CB C 123 19.998 20.398 -0.400 2 1 1394 . 1 1 A 123 123 ALA N N 123 124.108 126.132 -2.024 2 1 1395 . 1 1 A 124 124 PRO HA H 124 4.537 4.490 0.047 2 1 1402 . 1 1 A 124 124 PRO CA C 124 60.979 62.393 -1.414 2 1 1403 . 1 1 A 124 124 PRO CB C 124 32.285 32.358 -0.073 2 1 1406 . 1 1 A 125 125 ALA H H 125 8.587 8.266 0.321 2 1 1407 . 1 1 A 125 125 ALA HA H 125 3.899 4.481 -0.582 2 1 1411 . 1 1 A 125 125 ALA CA C 125 52.692 52.144 0.548 2 1 1412 . 1 1 A 125 125 ALA CB C 125 18.631 19.549 -0.918 2 1 1413 . 1 1 A 125 125 ALA N N 125 121.333 123.938 -2.604 2 1 1414 . 1 1 A 126 126 SER H H 126 8.227 9.036 -0.809 2 1 1415 . 1 1 A 126 126 SER HA H 126 4.616 4.526 0.090 2 1 1418 . 1 1 A 126 126 SER CA C 126 59.168 58.292 0.876 2 1 1419 . 1 1 A 126 126 SER CB C 126 64.636 62.511 2.125 2 1 1420 . 1 1 A 126 126 SER N N 126 118.947 118.802 0.145 2 1 1421 . 1 1 A 127 127 VAL H H 127 8.595 8.442 0.153 2 1 1422 . 1 1 A 127 127 VAL HA H 127 4.276 4.103 0.173 2 1 1430 . 1 1 A 127 127 VAL CA C 127 62.194 63.939 -1.745 2 1 1431 . 1 1 A 127 127 VAL CB C 127 32.852 32.300 0.552 2 1 1434 . 1 1 A 127 127 VAL N N 127 117.209 124.893 -7.684 2 1 1435 . 1 1 A 128 128 LEU H H 128 7.844 7.536 0.308 2 1 1436 . 1 1 A 128 128 LEU HA H 128 4.588 4.750 -0.162 2 1 1446 . 1 1 A 128 128 LEU CA C 128 53.639 53.193 0.446 2 1 1447 . 1 1 A 128 128 LEU CB C 128 44.574 44.500 0.074 2 1 1451 . 1 1 A 128 128 LEU N N 128 121.103 120.522 0.581 2 1 1452 . 1 1 A 129 129 ALA H H 129 8.377 8.726 -0.349 2 1 1453 . 1 1 A 129 129 ALA HA H 129 4.538 4.783 -0.245 2 1 1457 . 1 1 A 129 129 ALA CA C 129 53.476 49.919 3.557 2 1 1458 . 1 1 A 129 129 ALA CB C 129 20.982 20.621 0.361 2 1 1459 . 1 1 A 129 129 ALA N N 129 123.679 124.239 -0.559 2 1 1460 . 1 1 A 130 130 PRO HA H 130 4.669 4.760 -0.091 2 1 1467 . 1 1 A 130 130 PRO CA C 130 62.314 62.397 -0.083 2 1 1468 . 1 1 A 130 130 PRO CB C 130 33.473 32.604 0.869 2 1 1471 . 1 1 A 131 131 SER H H 131 9.365 8.439 0.926 2 1 1472 . 1 1 A 131 131 SER HA H 131 4.520 4.674 -0.154 2 1 1475 . 1 1 A 131 131 SER CA C 131 59.385 58.080 1.305 2 1 1476 . 1 1 A 131 131 SER CB C 131 63.866 62.747 1.119 2 1 1477 . 1 1 A 131 131 SER N N 131 122.226 116.266 5.960 2 1 1478 . 1 1 A 132 132 ASP H H 132 8.608 8.564 0.044 2 1 1479 . 1 1 A 132 132 ASP HA H 132 5.260 5.433 -0.173 2 1 1482 . 1 1 A 132 132 ASP CA C 132 53.345 52.946 0.399 2 1 1483 . 1 1 A 132 132 ASP CB C 132 41.791 42.572 -0.781 2 1 1484 . 1 1 A 132 132 ASP N N 132 124.814 124.704 0.110 2 1 1485 . 1 1 A 133 133 VAL H H 133 9.405 8.948 0.457 2 1 1486 . 1 1 A 133 133 VAL HA H 133 4.226 4.725 -0.499 2 1 1494 . 1 1 A 133 133 VAL CA C 133 61.669 61.136 0.533 2 1 1495 . 1 1 A 133 133 VAL CB C 133 34.448 34.107 0.341 2 1 1498 . 1 1 A 133 133 VAL N N 133 127.192 124.025 3.167 2 1 1499 . 1 1 A 134 134 ASP H H 134 8.468 8.955 -0.487 2 1 1500 . 1 1 A 134 134 ASP HA H 134 5.368 5.589 -0.221 2 1 1503 . 1 1 A 134 134 ASP CA C 134 52.326 52.688 -0.362 2 1 1504 . 1 1 A 134 134 ASP CB C 134 41.245 43.282 -2.037 2 1 1505 . 1 1 A 134 134 ASP N N 134 127.161 125.265 1.896 2 1 1506 . 1 1 A 135 135 ILE H H 135 9.406 8.819 0.587 2 1 1507 . 1 1 A 135 135 ILE HA H 135 4.636 4.884 -0.248 2 1 1517 . 1 1 A 135 135 ILE CA C 135 57.478 57.007 0.471 2 1 1518 . 1 1 A 135 135 ILE CB C 135 39.411 40.583 -1.172 2 1 1522 . 1 1 A 135 135 ILE N N 135 125.603 119.019 6.584 2 1 1523 . 1 1 A 136 136 PRO HA H 136 4.844 4.795 0.049 2 1 1530 . 1 1 A 136 136 PRO CA C 136 62.314 62.456 -0.142 2 1 1531 . 1 1 A 136 136 PRO CB C 136 31.563 32.110 -0.547 2 1 1534 . 1 1 A 137 137 LEU H H 137 9.196 8.774 0.422 2 1 1535 . 1 1 A 137 137 LEU HA H 137 4.739 4.751 -0.012 2 1 1545 . 1 1 A 137 137 LEU CA C 137 53.609 53.728 -0.119 2 1 1546 . 1 1 A 137 137 LEU CB C 137 45.473 44.192 1.281 2 1 1550 . 1 1 A 137 137 LEU N N 137 124.087 123.215 0.872 2 1 1551 . 1 1 A 138 138 GLN H H 138 8.928 8.919 0.009 2 1 1552 . 1 1 A 138 138 GLN HA H 138 4.581 4.645 -0.064 2 1 1559 . 1 1 A 138 138 GLN CA C 138 54.780 54.657 0.123 2 1 1560 . 1 1 A 138 138 GLN CB C 138 29.048 29.554 -0.506 2 1 1562 . 1 1 A 138 138 GLN N N 138 122.528 126.698 -4.170 2 1 1564 . 1 1 A 139 139 LEU H H 139 9.039 8.725 0.314 2 1 1565 . 1 1 A 139 139 LEU HA H 139 4.205 4.270 -0.065 2 1 1575 . 1 1 A 139 139 LEU CA C 139 52.367 54.109 -1.742 2 1 1576 . 1 1 A 139 139 LEU CB C 139 38.673 41.840 -3.167 2 1 1580 . 1 1 A 139 139 LEU N N 139 127.667 127.340 0.327 2 1 1581 . 1 1 A 140 140 LYS H H 140 8.078 8.504 -0.426 2 1 1582 . 1 1 A 140 140 LYS HA H 140 4.352 4.653 -0.301 2 1 1591 . 1 1 A 140 140 LYS CA C 140 56.826 55.248 1.578 2 1 1592 . 1 1 A 140 140 LYS CB C 140 32.657 34.550 -1.893 2 1 1596 . 1 1 A 140 140 LYS N N 140 124.108 122.691 1.417 2 1 1597 . 1 1 A 141 141 GLY H H 141 9.166 9.008 0.158 2 1 1598 . 1 1 A 141 141 GLY HA2 H 141 3.788 3.960 -0.172 2 1 1599 . 1 1 A 141 141 GLY HA3 H 141 4.119 3.976 0.143 2 1 1600 . 1 1 A 141 141 GLY CA C 141 45.682 45.796 -0.114 2 1 1601 . 1 1 A 141 141 GLY N N 141 110.698 111.533 -0.835 2 1 1602 . 1 1 A 142 142 ILE H H 142 7.112 7.858 -0.746 2 1 1603 . 1 1 A 142 142 ILE HA H 142 4.600 4.726 -0.126 2 1 1613 . 1 1 A 142 142 ILE CA C 142 58.547 59.934 -1.387 2 1 1614 . 1 1 A 142 142 ILE CB C 142 40.437 41.225 -0.788 2 1 1618 . 1 1 A 142 142 ILE N N 142 117.928 121.204 -3.276 2 1 1619 . 1 1 A 143 143 SER H H 143 8.381 8.990 -0.609 2 1 1620 . 1 1 A 143 143 SER HA H 143 4.613 4.606 0.007 2 1 1623 . 1 1 A 143 143 SER CA C 143 56.654 58.390 -1.736 2 1 1624 . 1 1 A 143 143 SER CB C 143 65.051 64.204 0.847 2 1 1625 . 1 1 A 143 143 SER N N 143 123.373 124.664 -1.291 2 1 1626 . 1 1 A 144 144 VAL H H 144 8.702 8.551 0.151 2 1 1627 . 1 1 A 144 144 VAL HA H 144 3.593 3.865 -0.272 2 1 1635 . 1 1 A 144 144 VAL CA C 144 65.655 65.112 0.543 2 1 1636 . 1 1 A 144 144 VAL CB C 144 31.434 31.778 -0.344 2 1 1639 . 1 1 A 144 144 VAL N N 144 120.791 126.368 -5.577 2 1 1640 . 1 1 A 145 145 ASP H H 145 8.151 8.168 -0.017 2 1 1641 . 1 1 A 145 145 ASP HA H 145 4.435 4.420 0.015 2 1 1644 . 1 1 A 145 145 ASP CA C 145 55.211 56.898 -1.687 2 1 1645 . 1 1 A 145 145 ASP CB C 145 40.268 41.043 -0.775 2 1 1646 . 1 1 A 145 145 ASP N N 145 115.698 120.975 -5.277 2 1 1647 . 1 1 A 146 146 GLN H H 146 7.553 7.576 -0.023 2 1 1648 . 1 1 A 146 146 GLN HA H 146 4.302 4.430 -0.128 2 1 1655 . 1 1 A 146 146 GLN CA C 146 55.072 55.305 -0.233 2 1 1656 . 1 1 A 146 146 GLN CB C 146 29.990 29.396 0.594 2 1 1658 . 1 1 A 146 146 GLN N N 146 117.118 115.803 1.315 2 1 1660 . 1 1 A 147 147 LEU H H 147 7.368 7.387 -0.019 2 1 1661 . 1 1 A 147 147 LEU HA H 147 4.119 4.358 -0.239 2 1 1671 . 1 1 A 147 147 LEU CA C 147 54.904 54.751 0.153 2 1 1672 . 1 1 A 147 147 LEU CB C 147 40.355 42.027 -1.672 2 1 1676 . 1 1 A 147 147 LEU N N 147 121.541 122.632 -1.091 2 1 1677 . 1 1 A 148 148 GLY H H 148 8.791 8.715 0.076 2 1 1678 . 1 1 A 148 148 GLY HA2 H 148 4.512 4.001 0.511 2 1 1679 . 1 1 A 148 148 GLY HA3 H 148 3.997 4.072 -0.075 2 1 1680 . 1 1 A 148 148 GLY CA C 148 45.610 46.769 -1.159 2 1 1681 . 1 1 A 148 148 GLY N N 148 116.322 113.307 3.015 2 1 1682 . 1 1 A 149 149 PHE H H 149 7.790 7.744 0.046 2 1 1683 . 1 1 A 149 149 PHE HA H 149 5.215 5.238 -0.023 2 1 1691 . 1 1 A 149 149 PHE CA C 149 56.942 56.138 0.804 2 1 1692 . 1 1 A 149 149 PHE CB C 149 42.019 42.425 -0.406 2 1 1696 . 1 1 A 149 149 PHE N N 149 113.675 113.244 0.431 2 1 1697 . 1 1 A 150 150 VAL H H 150 8.549 8.993 -0.444 2 1 1698 . 1 1 A 150 150 VAL HA H 150 4.776 4.715 0.061 2 1 1706 . 1 1 A 150 150 VAL CA C 150 61.068 61.419 -0.351 2 1 1707 . 1 1 A 150 150 VAL CB C 150 34.594 33.789 0.805 2 1 1710 . 1 1 A 150 150 VAL N N 150 118.208 120.307 -2.099 2 1 1711 . 1 1 A 151 151 ARG H H 151 9.953 9.386 0.567 2 1 1712 . 1 1 A 151 151 ARG HA H 151 5.783 5.069 0.714 2 1 1719 . 1 1 A 151 151 ARG CA C 151 53.530 55.340 -1.810 2 1 1720 . 1 1 A 151 151 ARG CB C 151 33.540 31.448 2.092 2 1 1723 . 1 1 A 151 151 ARG N N 151 128.446 128.571 -0.125 2 1 1724 . 1 1 A 152 152 ILE H H 152 8.905 8.797 0.108 2 1 1725 . 1 1 A 152 152 ILE HA H 152 5.188 4.895 0.293 2 1 1735 . 1 1 A 152 152 ILE CA C 152 60.464 60.583 -0.119 2 1 1736 . 1 1 A 152 152 ILE CB C 152 39.542 38.760 0.782 2 1 1740 . 1 1 A 152 152 ILE N N 152 127.149 128.178 -1.029 2 1 1741 . 1 1 A 153 153 HIS H H 153 8.941 8.429 0.512 2 1 1742 . 1 1 A 153 153 HIS HA H 153 5.074 4.916 0.158 2 1 1747 . 1 1 A 153 153 HIS CA C 153 53.417 54.647 -1.230 2 1 1748 . 1 1 A 153 153 HIS CB C 153 31.734 32.183 -0.449 2 1 1751 . 1 1 A 153 153 HIS N N 153 119.132 123.193 -4.061 2 1 1752 . 1 1 A 154 154 ASP H H 154 9.109 8.918 0.191 2 1 1753 . 1 1 A 154 154 ASP HA H 154 4.276 4.132 0.144 2 1 1756 . 1 1 A 154 154 ASP CA C 154 55.630 55.309 0.321 2 1 1757 . 1 1 A 154 154 ASP CB C 154 39.450 39.228 0.222 2 1 1758 . 1 1 A 154 154 ASP N N 154 116.420 117.015 -0.595 2 1 1759 . 1 1 A 155 155 ILE H H 155 8.062 8.034 0.028 2 1 1760 . 1 1 A 155 155 ILE HA H 155 5.051 4.297 0.754 2 1 1770 . 1 1 A 155 155 ILE CA C 155 59.666 61.687 -2.021 2 1 1771 . 1 1 A 155 155 ILE CB C 155 35.757 37.131 -1.374 2 1 1775 . 1 1 A 155 155 ILE N N 155 119.131 119.539 -0.408 2 1 1776 . 1 1 A 156 156 GLN H H 156 9.011 8.862 0.149 2 1 1777 . 1 1 A 156 156 GLN HA H 156 4.993 5.000 -0.007 2 1 1784 . 1 1 A 156 156 GLN CA C 156 51.975 52.947 -0.972 2 1 1785 . 1 1 A 156 156 GLN CB C 156 31.210 31.605 -0.395 2 1 1787 . 1 1 A 156 156 GLN N N 156 127.177 124.526 2.651 2 1 1789 . 1 1 A 157 157 PRO HA H 157 4.964 4.900 0.064 2 1 1796 . 1 1 A 157 157 PRO CA C 157 61.770 62.660 -0.890 2 1 1797 . 1 1 A 157 157 PRO CB C 157 31.637 32.316 -0.679 2 1 1800 . 1 1 A 158 158 VAL H H 158 7.921 8.338 -0.417 2 1 1801 . 1 1 A 158 158 VAL HA H 158 4.107 4.518 -0.411 2 1 1809 . 1 1 A 158 158 VAL CA C 158 62.234 60.653 1.581 2 1 1810 . 1 1 A 158 158 VAL CB C 158 32.610 33.149 -0.539 2 1 1813 . 1 1 A 158 158 VAL N N 158 121.642 118.558 3.084 2 1 1814 . 1 1 A 159 159 MET H H 159 8.544 8.488 0.056 2 1 1815 . 1 1 A 159 159 MET HA H 159 4.548 4.709 -0.161 2 1 1820 . 1 1 A 159 159 MET CA C 159 54.731 54.752 -0.021 2 1 1821 . 1 1 A 159 159 MET CB C 159 32.547 33.792 -1.245 2 1 1823 . 1 1 A 159 159 MET N N 159 124.452 121.845 2.607 2 1 1824 . 1 1 A 160 160 GLN H H 160 8.434 8.382 0.052 2 1 1825 . 1 1 A 160 160 GLN HA H 160 4.354 4.531 -0.177 2 1 1832 . 1 1 A 160 160 GLN CA C 160 55.399 55.516 -0.117 2 1 1833 . 1 1 A 160 160 GLN CB C 160 29.112 29.760 -0.648 2 1 1835 . 1 1 A 160 160 GLN N N 160 121.917 120.326 1.591 2 1 1837 . 1 1 A 161 161 LEU H H 161 8.325 8.468 -0.143 2 1 1838 . 1 1 A 161 161 LEU HA H 161 4.314 4.544 -0.230 2 1 1848 . 1 1 A 161 161 LEU CA C 161 55.040 54.336 0.704 2 1 1849 . 1 1 A 161 161 LEU CB C 161 42.225 42.425 -0.200 2 1 1853 . 1 1 A 161 161 LEU N N 161 123.826 123.482 0.344 2 1 1854 . 1 1 A 162 162 GLU H H 162 8.358 8.559 -0.201 2 1 1855 . 1 1 A 162 162 GLU HA H 162 4.216 4.589 -0.373 2 1 1860 . 1 1 A 162 162 GLU CA C 162 56.343 55.681 0.662 2 1 1861 . 1 1 A 162 162 GLU CB C 162 30.083 31.519 -1.436 2 1 1863 . 1 1 A 162 162 GLU N N 162 121.293 122.554 -1.261 2 1 1864 . 1 1 A 163 163 HIS H H 163 8.376 8.648 -0.272 2 1 1865 . 1 1 A 163 163 HIS HA H 163 4.641 5.031 -0.390 2 1 1868 . 1 1 A 163 163 HIS CA C 163 55.437 54.758 0.679 2 1 1869 . 1 1 A 163 163 HIS CB C 163 29.412 31.105 -1.693 2 1 1870 . 1 1 A 163 163 HIS N N 163 121.307 119.552 1.756 2 1 1871 . 1 1 A 164 164 HIS H H 164 8.289 8.576 -0.287 2 1 1872 . 1 1 A 164 164 HIS N N 164 125.228 121.248 3.981 2 1 1873 . 1 1 A 166 166 HIS HA H 166 4.300 4.717 -0.417 2 1 1876 . 1 1 A 166 166 HIS CA C 166 55.708 55.280 0.428 2 1 1877 . 1 1 A 166 166 HIS CB C 166 29.207 30.785 -1.577 2 1 1878 . 1 1 A 167 167 HIS H H 167 8.591 8.646 -0.055 2 1 1879 . 1 1 A 167 167 HIS HA H 167 4.541 4.390 0.151 2 1 1882 . 1 1 A 167 167 HIS CA C 167 54.678 56.810 -2.132 2 1 1883 . 1 1 A 167 167 HIS CB C 167 26.256 29.813 -3.557 2 1 1884 . 1 1 A 167 167 HIS N N 167 121.317 121.019 0.298 2 stop_ save_