data_15635_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15635 _Entry.PDB_ID 2K03 _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 3 . 1 1 1 A 4 4 PRO HA H 2 4.509 4.515 -0.006 1 1 10 . 1 1 1 A 4 4 PRO C C 2 177.132 176.108 1.024 1 1 11 . 1 1 1 A 4 4 PRO CA C 2 63.529 63.088 0.441 1 1 12 . 1 1 1 A 4 4 PRO CB C 2 32.476 31.862 0.614 1 1 15 . 1 1 1 A 5 5 VAL H H 3 8.201 8.223 -0.022 1 1 16 . 1 1 1 A 5 5 VAL HA H 3 4.152 4.829 -0.677 1 1 24 . 1 1 1 A 5 5 VAL C C 3 176.423 174.994 1.429 1 1 25 . 1 1 1 A 5 5 VAL CA C 3 62.873 60.157 2.716 1 1 26 . 1 1 1 A 5 5 VAL CB C 3 33.455 33.383 0.072 1 1 28 . 1 1 1 A 5 5 VAL N N 3 120.488 117.113 3.375 1 1 29 . 1 1 1 A 6 6 SER H H 4 8.276 8.899 -0.623 1 1 30 . 1 1 1 A 6 6 SER HA H 4 4.494 4.569 -0.075 1 1 33 . 1 1 1 A 6 6 SER C C 4 174.687 175.845 -1.158 1 1 34 . 1 1 1 A 6 6 SER CA C 4 58.375 59.765 -1.390 1 1 35 . 1 1 1 A 6 6 SER CB C 4 64.295 63.663 0.632 1 1 36 . 1 1 1 A 6 6 SER N N 4 119.000 121.497 -2.497 1 1 37 . 1 1 1 A 7 7 LEU H H 5 8.238 8.080 0.158 1 1 38 . 1 1 1 A 7 7 LEU HA H 5 4.406 4.592 -0.186 1 1 44 . 1 1 1 A 7 7 LEU C C 5 177.406 178.141 -0.735 1 1 45 . 1 1 1 A 7 7 LEU CA C 5 55.766 55.771 -0.005 1 1 46 . 1 1 1 A 7 7 LEU CB C 5 43.132 45.582 -2.450 1 1 48 . 1 1 1 A 7 7 LEU N N 5 124.704 121.482 3.222 1 1 49 . 1 1 1 A 8 8 SER H H 6 8.148 8.283 -0.135 1 1 50 . 1 1 1 A 8 8 SER HA H 6 4.438 4.088 0.350 1 1 53 . 1 1 1 A 8 8 SER C C 6 174.321 173.954 0.367 1 1 54 . 1 1 1 A 8 8 SER CA C 6 58.718 62.496 -3.778 1 1 55 . 1 1 1 A 8 8 SER CB C 6 64.295 62.955 1.340 1 1 56 . 1 1 1 A 8 8 SER N N 6 115.960 115.799 0.161 1 1 57 . 1 1 1 A 9 9 TYR H H 7 7.954 7.688 0.266 1 1 58 . 1 1 1 A 9 9 TYR HA H 7 4.585 5.973 -1.388 1 1 65 . 1 1 1 A 9 9 TYR C C 7 175.532 174.071 1.461 1 1 66 . 1 1 1 A 9 9 TYR CA C 7 58.335 56.727 1.608 1 1 67 . 1 1 1 A 9 9 TYR CB C 7 39.474 40.739 -1.265 1 1 70 . 1 1 1 A 9 9 TYR N N 7 121.884 115.633 6.251 1 1 71 . 1 1 1 A 10 10 ARG H H 8 8.117 9.659 -1.542 1 1 72 . 1 1 1 A 10 10 ARG HA H 8 4.349 5.101 -0.752 1 1 79 . 1 1 1 A 10 10 ARG C C 8 175.898 174.410 1.488 1 1 80 . 1 1 1 A 10 10 ARG CA C 8 56.048 54.859 1.189 1 1 81 . 1 1 1 A 10 10 ARG CB C 8 31.492 33.041 -1.549 1 1 84 . 1 1 1 A 10 10 ARG N N 8 121.977 125.465 -3.488 1 1 85 . 1 1 1 A 11 11 CYS H H 9 8.127 8.764 -0.637 1 1 86 . 1 1 1 A 11 11 CYS HA H 9 4.984 5.490 -0.506 1 1 89 . 1 1 1 A 11 11 CYS C C 9 177.771 173.481 4.290 1 1 90 . 1 1 1 A 11 11 CYS CA C 9 53.192 53.859 -0.667 1 1 91 . 1 1 1 A 11 11 CYS CB C 9 40.897 45.705 -4.808 1 1 92 . 1 1 1 A 11 11 CYS N N 9 121.209 124.261 -3.052 1 1 93 . 1 1 1 A 12 12 PRO HA H 10 4.321 4.489 -0.168 1 1 100 . 1 1 1 A 12 12 PRO CA C 10 65.478 63.873 1.605 1 1 101 . 1 1 1 A 12 12 PRO CB C 10 32.904 31.595 1.309 1 1 104 . 1 1 1 A 13 13 CYS H H 11 8.633 7.660 0.973 1 1 105 . 1 1 1 A 13 13 CYS C C 11 174.618 173.008 1.610 1 1 106 . 1 1 1 A 13 13 CYS N N 11 114.595 116.990 -2.395 1 1 107 . 1 1 1 A 14 14 ARG H H 12 8.236 8.775 -0.539 1 1 108 . 1 1 1 A 14 14 ARG HA H 12 4.067 4.222 -0.155 1 1 115 . 1 1 1 A 14 14 ARG C C 12 175.098 176.006 -0.908 1 1 116 . 1 1 1 A 14 14 ARG CA C 12 57.370 57.337 0.033 1 1 117 . 1 1 1 A 14 14 ARG CB C 12 31.631 31.462 0.169 1 1 120 . 1 1 1 A 14 14 ARG N N 12 122.779 121.906 0.873 1 1 121 . 1 1 1 A 15 15 PHE H H 13 7.615 7.702 -0.087 1 1 122 . 1 1 1 A 15 15 PHE HA H 13 4.510 4.959 -0.449 1 1 129 . 1 1 1 A 15 15 PHE C C 13 174.162 175.057 -0.895 1 1 130 . 1 1 1 A 15 15 PHE CA C 13 56.289 56.081 0.208 1 1 131 . 1 1 1 A 15 15 PHE CB C 13 41.320 42.352 -1.032 1 1 134 . 1 1 1 A 15 15 PHE N N 13 116.797 114.498 2.299 1 1 135 . 1 1 1 A 16 16 PHE H H 14 8.125 8.084 0.041 1 1 136 . 1 1 1 A 16 16 PHE HA H 14 4.767 5.457 -0.690 1 1 143 . 1 1 1 A 16 16 PHE C C 14 175.441 175.145 0.296 1 1 144 . 1 1 1 A 16 16 PHE CA C 14 55.767 55.640 0.127 1 1 145 . 1 1 1 A 16 16 PHE CB C 14 41.320 41.300 0.020 1 1 148 . 1 1 1 A 16 16 PHE N N 14 118.930 118.112 0.818 1 1 149 . 1 1 1 A 17 17 GLU H H 15 8.836 9.189 -0.353 1 1 150 . 1 1 1 A 17 17 GLU HA H 15 4.579 4.561 0.018 1 1 155 . 1 1 1 A 17 17 GLU C C 15 176.857 176.423 0.434 1 1 156 . 1 1 1 A 17 17 GLU CA C 15 56.289 56.657 -0.368 1 1 157 . 1 1 1 A 17 17 GLU CB C 15 31.173 30.710 0.463 1 1 159 . 1 1 1 A 17 17 GLU N N 15 122.929 122.985 -0.056 1 1 160 . 1 1 1 A 18 18 SER H H 16 8.751 9.008 -0.257 1 1 161 . 1 1 1 A 18 18 SER HA H 16 4.762 4.646 0.116 1 1 164 . 1 1 1 A 18 18 SER C C 16 177.497 175.153 2.344 1 1 165 . 1 1 1 A 18 18 SER CA C 16 59.328 59.856 -0.528 1 1 166 . 1 1 1 A 18 18 SER CB C 16 64.515 65.367 -0.852 1 1 167 . 1 1 1 A 18 18 SER N N 16 118.860 119.936 -1.076 1 1 168 . 1 1 1 A 19 19 HIS H H 17 8.761 8.066 0.695 1 1 169 . 1 1 1 A 19 19 HIS HA H 17 4.859 4.861 -0.002 1 1 174 . 1 1 1 A 19 19 HIS C C 17 174.618 174.936 -0.318 1 1 175 . 1 1 1 A 19 19 HIS CA C 17 56.449 55.210 1.239 1 1 176 . 1 1 1 A 19 19 HIS CB C 17 29.870 28.845 1.025 1 1 179 . 1 1 1 A 19 19 HIS N N 17 120.535 117.590 2.945 1 1 180 . 1 1 1 A 20 20 VAL H H 18 7.157 7.660 -0.503 1 1 181 . 1 1 1 A 20 20 VAL HA H 18 4.181 4.506 -0.325 1 1 189 . 1 1 1 A 20 20 VAL C C 18 174.436 175.540 -1.104 1 1 190 . 1 1 1 A 20 20 VAL CA C 18 62.167 60.032 2.135 1 1 191 . 1 1 1 A 20 20 VAL CB C 18 34.426 34.132 0.294 1 1 193 . 1 1 1 A 20 20 VAL N N 18 120.872 120.466 0.406 1 1 194 . 1 1 1 A 21 21 ALA H H 19 8.521 8.792 -0.271 1 1 195 . 1 1 1 A 21 21 ALA HA H 19 4.372 4.248 0.124 1 1 199 . 1 1 1 A 21 21 ALA C C 19 177.657 177.938 -0.281 1 1 200 . 1 1 1 A 21 21 ALA CA C 19 51.193 51.800 -0.607 1 1 201 . 1 1 1 A 21 21 ALA CB C 19 19.790 19.162 0.628 1 1 202 . 1 1 1 A 21 21 ALA N N 19 131.339 130.290 1.049 1 1 203 . 1 1 1 A 22 22 ARG H H 20 7.790 8.118 -0.328 1 1 204 . 1 1 1 A 22 22 ARG HA H 20 2.445 2.489 -0.044 1 1 211 . 1 1 1 A 22 22 ARG C C 20 178.365 177.105 1.260 1 1 212 . 1 1 1 A 22 22 ARG CA C 20 59.379 58.056 1.323 1 1 213 . 1 1 1 A 22 22 ARG CB C 20 29.572 29.098 0.474 1 1 216 . 1 1 1 A 22 22 ARG N N 20 124.365 122.987 1.378 1 1 217 . 1 1 1 A 23 23 ALA H H 21 8.120 7.435 0.685 1 1 218 . 1 1 1 A 23 23 ALA HA H 21 4.060 4.106 -0.046 1 1 222 . 1 1 1 A 23 23 ALA C C 21 178.000 177.975 0.025 1 1 223 . 1 1 1 A 23 23 ALA CA C 21 54.100 53.212 0.888 1 1 224 . 1 1 1 A 23 23 ALA CB C 21 18.713 18.547 0.166 1 1 225 . 1 1 1 A 23 23 ALA N N 21 117.156 120.667 -3.511 1 1 226 . 1 1 1 A 24 24 ASN H H 22 7.717 7.507 0.210 1 1 227 . 1 1 1 A 24 24 ASN HA H 22 5.010 4.761 0.249 1 1 232 . 1 1 1 A 24 24 ASN C C 22 174.938 174.749 0.189 1 1 233 . 1 1 1 A 24 24 ASN CA C 22 52.869 52.817 0.052 1 1 234 . 1 1 1 A 24 24 ASN CB C 22 40.573 38.893 1.680 1 1 235 . 1 1 1 A 24 24 ASN N N 22 112.819 115.192 -2.373 1 1 237 . 1 1 1 A 25 25 VAL H H 23 7.489 7.452 0.037 1 1 238 . 1 1 1 A 25 25 VAL HA H 23 4.888 4.391 0.497 1 1 246 . 1 1 1 A 25 25 VAL C C 23 175.829 175.452 0.377 1 1 247 . 1 1 1 A 25 25 VAL CA C 23 59.870 59.813 0.057 1 1 248 . 1 1 1 A 25 25 VAL CB C 23 35.396 33.792 1.604 1 1 251 . 1 1 1 A 25 25 VAL N N 23 119.721 117.257 2.464 1 1 252 . 1 1 1 A 26 26 LYS H H 24 9.479 9.261 0.218 1 1 253 . 1 1 1 A 26 26 LYS HA H 24 4.353 4.443 -0.090 1 1 262 . 1 1 1 A 26 26 LYS C C 24 176.606 176.639 -0.033 1 1 263 . 1 1 1 A 26 26 LYS CA C 24 58.977 57.341 1.636 1 1 264 . 1 1 1 A 26 26 LYS CB C 24 34.567 33.365 1.202 1 1 268 . 1 1 1 A 26 26 LYS N N 24 127.843 121.916 5.927 1 1 269 . 1 1 1 A 27 27 HIS H H 25 7.237 7.581 -0.344 1 1 270 . 1 1 1 A 27 27 HIS HA H 25 4.979 4.989 -0.010 1 1 275 . 1 1 1 A 27 27 HIS C C 25 178.434 172.527 5.907 1 1 276 . 1 1 1 A 27 27 HIS CA C 25 55.406 54.755 0.651 1 1 277 . 1 1 1 A 27 27 HIS CB C 25 32.480 31.406 1.074 1 1 280 . 1 1 1 A 27 27 HIS N N 25 109.556 114.210 -4.654 1 1 281 . 1 1 1 A 28 28 LEU H H 26 8.189 8.860 -0.671 1 1 282 . 1 1 1 A 28 28 LEU HA H 26 5.190 5.120 0.070 1 1 292 . 1 1 1 A 28 28 LEU C C 26 175.510 175.211 0.299 1 1 293 . 1 1 1 A 28 28 LEU CA C 26 53.480 53.256 0.224 1 1 294 . 1 1 1 A 28 28 LEU CB C 26 45.235 44.714 0.521 1 1 298 . 1 1 1 A 28 28 LEU N N 26 117.260 119.709 -2.449 1 1 299 . 1 1 1 A 29 29 LYS H H 27 9.572 9.363 0.209 1 1 300 . 1 1 1 A 29 29 LYS HA H 27 5.372 5.201 0.171 1 1 309 . 1 1 1 A 29 29 LYS C C 27 174.801 174.694 0.107 1 1 310 . 1 1 1 A 29 29 LYS CA C 27 55.165 54.750 0.415 1 1 311 . 1 1 1 A 29 29 LYS CB C 27 35.253 35.349 -0.096 1 1 315 . 1 1 1 A 29 29 LYS N N 27 123.488 124.341 -0.853 1 1 316 . 1 1 1 A 30 30 ILE H H 28 9.136 9.072 0.064 1 1 317 . 1 1 1 A 30 30 ILE HA H 28 4.926 4.992 -0.066 1 1 327 . 1 1 1 A 30 30 ILE C C 28 176.949 175.177 1.772 1 1 328 . 1 1 1 A 30 30 ILE CA C 28 60.542 59.684 0.858 1 1 329 . 1 1 1 A 30 30 ILE CB C 28 39.600 40.541 -0.941 1 1 333 . 1 1 1 A 30 30 ILE N N 28 123.846 127.745 -3.899 1 1 334 . 1 1 1 A 31 31 LEU H H 29 8.830 8.813 0.017 1 1 335 . 1 1 1 A 31 31 LEU HA H 29 4.535 5.018 -0.483 1 1 344 . 1 1 1 A 31 31 LEU C C 29 176.012 175.562 0.450 1 1 345 . 1 1 1 A 31 31 LEU CA C 29 55.366 53.707 1.659 1 1 346 . 1 1 1 A 31 31 LEU CB C 29 43.180 46.293 -3.113 1 1 349 . 1 1 1 A 31 31 LEU N N 29 128.649 126.754 1.895 1 1 350 . 1 1 1 A 32 32 ASN H H 30 8.216 9.044 -0.828 1 1 351 . 1 1 1 A 32 32 ASN HA H 30 5.013 5.514 -0.501 1 1 356 . 1 1 1 A 32 32 ASN C C 30 174.664 174.651 0.013 1 1 357 . 1 1 1 A 32 32 ASN CA C 30 52.517 51.723 0.794 1 1 358 . 1 1 1 A 32 32 ASN CB C 30 38.776 41.321 -2.545 1 1 359 . 1 1 1 A 32 32 ASN N N 30 120.791 120.306 0.485 1 1 361 . 1 1 1 A 33 33 THR H H 31 7.883 8.904 -1.021 1 1 362 . 1 1 1 A 33 33 THR HA H 31 4.842 4.963 -0.121 1 1 367 . 1 1 1 A 33 33 THR CA C 31 58.369 59.109 -0.740 1 1 368 . 1 1 1 A 33 33 THR CB C 31 70.018 69.744 0.274 1 1 370 . 1 1 1 A 33 33 THR N N 31 115.811 116.762 -0.951 1 1 371 . 1 1 1 A 34 34 PRO HA H 32 4.317 4.411 -0.094 1 1 378 . 1 1 1 A 34 34 PRO CA C 32 65.164 64.869 0.295 1 1 379 . 1 1 1 A 34 34 PRO CB C 32 32.484 31.853 0.631 1 1 382 . 1 1 1 A 35 35 ASN H H 33 8.254 8.460 -0.206 1 1 383 . 1 1 1 A 35 35 ASN HA H 33 4.651 4.625 0.026 1 1 388 . 1 1 1 A 35 35 ASN C C 33 174.710 174.831 -0.121 1 1 389 . 1 1 1 A 35 35 ASN CA C 33 54.532 53.974 0.558 1 1 390 . 1 1 1 A 35 35 ASN CB C 33 39.167 39.346 -0.179 1 1 391 . 1 1 1 A 35 35 ASN N N 33 120.081 115.056 5.025 1 1 393 . 1 1 1 A 36 36 CYS H H 34 7.548 7.431 0.117 1 1 394 . 1 1 1 A 36 36 CYS HA H 34 4.694 4.968 -0.274 1 1 397 . 1 1 1 A 36 36 CYS C C 34 173.865 173.689 0.176 1 1 398 . 1 1 1 A 36 36 CYS CA C 34 55.447 54.808 0.639 1 1 399 . 1 1 1 A 36 36 CYS CB C 34 45.228 44.882 0.346 1 1 400 . 1 1 1 A 36 36 CYS N N 34 117.076 116.626 0.450 1 1 401 . 1 1 1 A 37 37 ALA H H 35 8.472 8.611 -0.139 1 1 402 . 1 1 1 A 37 37 ALA HA H 35 4.236 4.145 0.091 1 1 406 . 1 1 1 A 37 37 ALA C C 35 176.423 176.981 -0.558 1 1 407 . 1 1 1 A 37 37 ALA CA C 35 53.537 55.428 -1.891 1 1 408 . 1 1 1 A 37 37 ALA CB C 35 19.202 19.227 -0.025 1 1 409 . 1 1 1 A 37 37 ALA N N 35 125.153 125.680 -0.527 1 1 410 . 1 1 1 A 38 38 CYS H H 36 8.316 7.824 0.492 1 1 411 . 1 1 1 A 38 38 CYS HA H 36 4.196 4.757 -0.561 1 1 414 . 1 1 1 A 38 38 CYS C C 36 173.705 172.698 1.007 1 1 415 . 1 1 1 A 38 38 CYS CA C 36 58.616 57.818 0.798 1 1 416 . 1 1 1 A 38 38 CYS CB C 36 45.705 30.289 15.416 1 1 417 . 1 1 1 A 38 38 CYS N N 36 118.837 113.524 5.313 1 1 418 . 1 1 1 A 39 39 GLN H H 37 8.921 8.487 0.434 1 1 419 . 1 1 1 A 39 39 GLN HA H 37 4.609 5.016 -0.407 1 1 426 . 1 1 1 A 39 39 GLN C C 37 173.636 174.507 -0.871 1 1 427 . 1 1 1 A 39 39 GLN CA C 37 54.603 54.292 0.311 1 1 428 . 1 1 1 A 39 39 GLN CB C 37 31.761 32.590 -0.829 1 1 430 . 1 1 1 A 39 39 GLN N N 37 128.567 125.696 2.871 1 1 432 . 1 1 1 A 40 40 ILE H H 38 8.893 8.450 0.443 1 1 433 . 1 1 1 A 40 40 ILE HA H 38 5.068 4.821 0.247 1 1 443 . 1 1 1 A 40 40 ILE C C 38 174.390 175.283 -0.893 1 1 444 . 1 1 1 A 40 40 ILE CA C 38 60.582 60.012 0.570 1 1 445 . 1 1 1 A 40 40 ILE CB C 38 40.048 39.227 0.821 1 1 449 . 1 1 1 A 40 40 ILE N N 38 123.962 124.464 -0.502 1 1 450 . 1 1 1 A 41 41 VAL H H 39 9.120 9.720 -0.600 1 1 451 . 1 1 1 A 41 41 VAL HA H 39 4.845 5.043 -0.198 1 1 459 . 1 1 1 A 41 41 VAL C C 39 175.487 175.228 0.259 1 1 460 . 1 1 1 A 41 41 VAL CA C 39 59.980 61.078 -1.098 1 1 461 . 1 1 1 A 41 41 VAL CB C 39 35.868 33.999 1.869 1 1 464 . 1 1 1 A 41 41 VAL N N 39 126.354 128.007 -1.653 1 1 465 . 1 1 1 A 42 42 ALA H H 40 9.513 9.619 -0.106 1 1 466 . 1 1 1 A 42 42 ALA HA H 40 5.154 5.304 -0.150 1 1 470 . 1 1 1 A 42 42 ALA C C 40 175.944 175.088 0.856 1 1 471 . 1 1 1 A 42 42 ALA CA C 40 50.591 49.898 0.693 1 1 472 . 1 1 1 A 42 42 ALA CB C 40 22.432 22.358 0.074 1 1 473 . 1 1 1 A 42 42 ALA N N 40 128.406 129.649 -1.243 1 1 474 . 1 1 1 A 43 43 ARG H H 41 7.717 8.336 -0.619 1 1 475 . 1 1 1 A 43 43 ARG HA H 41 4.979 4.658 0.321 1 1 482 . 1 1 1 A 43 43 ARG C C 41 175.510 175.575 -0.065 1 1 483 . 1 1 1 A 43 43 ARG CA C 41 54.162 54.872 -0.710 1 1 484 . 1 1 1 A 43 43 ARG CB C 41 31.200 31.561 -0.361 1 1 487 . 1 1 1 A 43 43 ARG N N 41 121.663 122.217 -0.554 1 1 488 . 1 1 1 A 44 44 LEU H H 42 9.163 8.603 0.560 1 1 489 . 1 1 1 A 44 44 LEU HA H 42 5.033 4.403 0.630 1 1 499 . 1 1 1 A 44 44 LEU C C 42 177.840 177.701 0.139 1 1 500 . 1 1 1 A 44 44 LEU CA C 42 54.724 54.925 -0.201 1 1 501 . 1 1 1 A 44 44 LEU CB C 42 41.712 42.173 -0.461 1 1 505 . 1 1 1 A 44 44 LEU N N 42 129.087 127.706 1.381 1 1 506 . 1 1 1 A 45 45 LYS H H 43 8.417 8.953 -0.536 1 1 507 . 1 1 1 A 45 45 LYS HA H 43 3.950 3.968 -0.018 1 1 516 . 1 1 1 A 45 45 LYS CA C 43 59.016 56.971 2.045 1 1 517 . 1 1 1 A 45 45 LYS CB C 43 34.102 32.910 1.192 1 1 520 . 1 1 1 A 45 45 LYS N N 43 119.674 121.897 -2.223 1 1 521 . 1 1 1 A 48 48 ASN HA H 46 4.723 4.925 -0.202 1 1 526 . 1 1 1 A 48 48 ASN C C 46 175.098 174.786 0.312 1 1 527 . 1 1 1 A 48 48 ASN CA C 46 54.764 54.856 -0.092 1 1 528 . 1 1 1 A 48 48 ASN CB C 46 39.265 40.911 -1.646 1 1 530 . 1 1 1 A 49 49 ARG H H 47 7.919 7.782 0.137 1 1 531 . 1 1 1 A 49 49 ARG HA H 47 4.353 4.584 -0.231 1 1 538 . 1 1 1 A 49 49 ARG C C 47 175.601 173.682 1.919 1 1 539 . 1 1 1 A 49 49 ARG CA C 47 57.051 55.077 1.974 1 1 540 . 1 1 1 A 49 49 ARG CB C 47 32.121 31.630 0.491 1 1 543 . 1 1 1 A 49 49 ARG N N 47 119.826 113.913 5.913 1 1 544 . 1 1 1 A 50 50 GLN H H 48 8.547 8.702 -0.155 1 1 545 . 1 1 1 A 50 50 GLN HA H 48 5.456 5.262 0.194 1 1 552 . 1 1 1 A 50 50 GLN C C 48 175.578 174.951 0.627 1 1 553 . 1 1 1 A 50 50 GLN CA C 48 55.125 54.121 1.004 1 1 554 . 1 1 1 A 50 50 GLN CB C 48 32.121 31.505 0.616 1 1 556 . 1 1 1 A 50 50 GLN N N 48 120.767 118.758 2.009 1 1 558 . 1 1 1 A 51 51 VAL H H 49 8.630 9.380 -0.750 1 1 559 . 1 1 1 A 51 51 VAL HA H 49 4.826 4.895 -0.069 1 1 567 . 1 1 1 A 51 51 VAL C C 49 175.258 174.447 0.811 1 1 568 . 1 1 1 A 51 51 VAL CA C 49 59.338 59.606 -0.268 1 1 569 . 1 1 1 A 51 51 VAL CB C 49 36.155 34.564 1.591 1 1 572 . 1 1 1 A 51 51 VAL N N 49 116.678 117.543 -0.865 1 1 573 . 1 1 1 A 52 52 CYS H H 50 9.100 9.158 -0.058 1 1 574 . 1 1 1 A 52 52 CYS HA H 50 5.301 5.311 -0.010 1 1 577 . 1 1 1 A 52 52 CYS C C 50 174.527 173.348 1.179 1 1 578 . 1 1 1 A 52 52 CYS CA C 50 58.054 54.782 3.272 1 1 579 . 1 1 1 A 52 52 CYS CB C 50 43.375 43.520 -0.145 1 1 580 . 1 1 1 A 52 52 CYS N N 50 124.549 120.023 4.526 1 1 581 . 1 1 1 A 53 53 ILE H H 51 8.485 9.841 -1.356 1 1 582 . 1 1 1 A 53 53 ILE HA H 51 4.964 4.684 0.280 1 1 592 . 1 1 1 A 53 53 ILE C C 51 173.019 175.220 -2.201 1 1 593 . 1 1 1 A 53 53 ILE CA C 51 58.897 60.105 -1.208 1 1 594 . 1 1 1 A 53 53 ILE CB C 51 42.201 40.493 1.708 1 1 598 . 1 1 1 A 53 53 ILE N N 51 122.581 126.609 -4.028 1 1 599 . 1 1 1 A 54 54 ASP H H 52 7.661 8.354 -0.693 1 1 600 . 1 1 1 A 54 54 ASP HA H 52 3.642 4.450 -0.808 1 1 603 . 1 1 1 A 54 54 ASP CA C 52 51.574 52.006 -0.432 1 1 604 . 1 1 1 A 54 54 ASP CB C 52 42.515 42.174 0.341 1 1 605 . 1 1 1 A 54 54 ASP N N 52 125.772 127.323 -1.551 1 1 606 . 1 1 1 A 55 55 PRO HA H 53 4.025 4.245 -0.220 1 1 613 . 1 1 1 A 55 55 PRO C C 53 176.126 176.534 -0.408 1 1 614 . 1 1 1 A 55 55 PRO CA C 53 63.993 63.938 0.055 1 1 615 . 1 1 1 A 55 55 PRO CB C 53 33.002 31.629 1.373 1 1 618 . 1 1 1 A 56 56 LYS H H 54 7.931 8.062 -0.131 1 1 619 . 1 1 1 A 56 56 LYS HA H 54 3.988 4.350 -0.362 1 1 628 . 1 1 1 A 56 56 LYS C C 54 177.931 176.276 1.655 1 1 629 . 1 1 1 A 56 56 LYS CA C 54 56.770 55.719 1.051 1 1 630 . 1 1 1 A 56 56 LYS CB C 54 32.023 32.882 -0.859 1 1 634 . 1 1 1 A 56 56 LYS N N 54 112.924 116.094 -3.170 1 1 635 . 1 1 1 A 57 57 LEU H H 55 7.162 7.261 -0.099 1 1 636 . 1 1 1 A 57 57 LEU HA H 55 4.059 4.153 -0.094 1 1 646 . 1 1 1 A 57 57 LEU C C 55 179.416 177.628 1.788 1 1 647 . 1 1 1 A 57 57 LEU CA C 55 56.088 55.008 1.080 1 1 648 . 1 1 1 A 57 57 LEU CB C 55 42.191 42.179 0.012 1 1 652 . 1 1 1 A 57 57 LEU N N 55 120.593 121.760 -1.167 1 1 653 . 1 1 1 A 58 58 LYS H H 56 8.720 8.949 -0.229 1 1 654 . 1 1 1 A 58 58 LYS HA H 56 3.920 3.831 0.089 1 1 663 . 1 1 1 A 58 58 LYS C C 56 178.937 178.016 0.921 1 1 664 . 1 1 1 A 58 58 LYS CA C 56 60.301 59.660 0.641 1 1 665 . 1 1 1 A 58 58 LYS CB C 56 32.121 32.407 -0.286 1 1 669 . 1 1 1 A 58 58 LYS N N 56 125.479 124.149 1.330 1 1 670 . 1 1 1 A 59 59 TRP H H 57 7.811 8.436 -0.625 1 1 671 . 1 1 1 A 59 59 TRP HA H 57 4.664 4.476 0.188 1 1 680 . 1 1 1 A 59 59 TRP C C 57 178.868 179.309 -0.441 1 1 681 . 1 1 1 A 59 59 TRP CA C 57 58.897 59.984 -1.087 1 1 682 . 1 1 1 A 59 59 TRP CB C 57 28.036 28.012 0.024 1 1 688 . 1 1 1 A 59 59 TRP N N 57 113.433 119.229 -5.796 1 1 690 . 1 1 1 A 60 60 ILE H H 58 6.467 7.486 -1.019 1 1 691 . 1 1 1 A 60 60 ILE HA H 58 3.325 3.516 -0.191 1 1 701 . 1 1 1 A 60 60 ILE C C 58 177.726 177.711 0.015 1 1 702 . 1 1 1 A 60 60 ILE CA C 58 64.314 64.540 -0.226 1 1 703 . 1 1 1 A 60 60 ILE CB C 58 35.897 36.543 -0.646 1 1 707 . 1 1 1 A 60 60 ILE N N 58 124.379 122.522 1.857 1 1 708 . 1 1 1 A 61 61 GLN H H 59 7.624 8.775 -1.151 1 1 709 . 1 1 1 A 61 61 GLN HA H 59 3.755 3.879 -0.124 1 1 716 . 1 1 1 A 61 61 GLN C C 59 178.434 178.567 -0.133 1 1 717 . 1 1 1 A 61 61 GLN CA C 59 59.379 59.460 -0.081 1 1 718 . 1 1 1 A 61 61 GLN CB C 59 28.602 28.203 0.399 1 1 720 . 1 1 1 A 61 61 GLN N N 59 119.070 118.725 0.345 1 1 722 . 1 1 1 A 62 62 GLU H H 60 8.064 8.216 -0.152 1 1 723 . 1 1 1 A 62 62 GLU HA H 60 4.087 4.133 -0.046 1 1 728 . 1 1 1 A 62 62 GLU C C 60 179.051 178.596 0.455 1 1 729 . 1 1 1 A 62 62 GLU CA C 60 59.659 59.468 0.191 1 1 730 . 1 1 1 A 62 62 GLU CB C 60 30.457 29.194 1.263 1 1 732 . 1 1 1 A 62 62 GLU N N 60 117.166 118.631 -1.465 1 1 733 . 1 1 1 A 63 63 TYR H H 61 7.924 7.885 0.039 1 1 734 . 1 1 1 A 63 63 TYR HA H 61 4.254 4.272 -0.018 1 1 741 . 1 1 1 A 63 63 TYR C C 61 178.617 177.465 1.152 1 1 742 . 1 1 1 A 63 63 TYR CA C 61 61.184 61.631 -0.447 1 1 743 . 1 1 1 A 63 63 TYR CB C 61 39.461 38.761 0.700 1 1 746 . 1 1 1 A 63 63 TYR N N 61 121.271 122.614 -1.343 1 1 747 . 1 1 1 A 64 64 LEU H H 62 8.260 9.207 -0.947 1 1 748 . 1 1 1 A 64 64 LEU HA H 62 3.966 3.982 -0.016 1 1 758 . 1 1 1 A 64 64 LEU C C 62 179.553 179.119 0.434 1 1 759 . 1 1 1 A 64 64 LEU CA C 62 58.014 58.188 -0.174 1 1 760 . 1 1 1 A 64 64 LEU CB C 62 42.397 41.300 1.097 1 1 764 . 1 1 1 A 64 64 LEU N N 62 116.299 120.112 -3.813 1 1 765 . 1 1 1 A 65 65 GLU H H 63 8.454 8.362 0.092 1 1 766 . 1 1 1 A 65 65 GLU HA H 63 3.854 3.936 -0.082 1 1 771 . 1 1 1 A 65 65 GLU C C 63 179.279 178.770 0.509 1 1 772 . 1 1 1 A 65 65 GLU CA C 63 60.301 59.896 0.405 1 1 773 . 1 1 1 A 65 65 GLU CB C 63 29.870 29.230 0.640 1 1 775 . 1 1 1 A 65 65 GLU N N 63 118.616 117.627 0.989 1 1 776 . 1 1 1 A 66 66 LYS H H 64 7.575 8.568 -0.993 1 1 777 . 1 1 1 A 66 66 LYS HA H 64 4.225 4.508 -0.283 1 1 786 . 1 1 1 A 66 66 LYS C C 64 178.457 178.676 -0.219 1 1 787 . 1 1 1 A 66 66 LYS CA C 64 58.496 59.235 -0.739 1 1 788 . 1 1 1 A 66 66 LYS CB C 64 32.400 31.939 0.461 1 1 792 . 1 1 1 A 66 66 LYS N N 64 117.166 118.239 -1.073 1 1 793 . 1 1 1 A 67 67 CYS H H 65 7.918 8.100 -0.182 1 1 794 . 1 1 1 A 67 67 CYS HA H 65 4.526 4.162 0.364 1 1 797 . 1 1 1 A 67 67 CYS C C 65 174.893 177.171 -2.278 1 1 798 . 1 1 1 A 67 67 CYS CA C 65 56.329 63.673 -7.344 1 1 799 . 1 1 1 A 67 67 CYS CB C 65 45.235 27.264 17.971 1 1 800 . 1 1 1 A 67 67 CYS N N 65 115.330 118.267 -2.937 1 1 801 . 1 1 1 A 68 68 LEU H H 66 7.559 8.119 -0.560 1 1 802 . 1 1 1 A 68 68 LEU HA H 66 4.491 4.114 0.377 1 1 812 . 1 1 1 A 68 68 LEU C C 66 176.812 177.180 -0.368 1 1 813 . 1 1 1 A 68 68 LEU CA C 66 55.366 58.055 -2.689 1 1 814 . 1 1 1 A 68 68 LEU CB C 66 43.278 41.879 1.399 1 1 818 . 1 1 1 A 68 68 LEU N N 66 120.930 123.056 -2.126 1 1 819 . 1 1 1 A 69 69 ASN H H 67 8.265 7.788 0.477 1 1 820 . 1 1 1 A 69 69 ASN HA H 67 4.669 4.962 -0.293 1 1 825 . 1 1 1 A 69 69 ASN CA C 67 53.761 54.376 -0.615 1 1 826 . 1 1 1 A 69 69 ASN CB C 67 39.069 41.204 -2.135 1 1 827 . 1 1 1 A 69 69 ASN N N 67 120.279 116.261 4.018 1 1 852 . 1 2 2 B 4 4 GLU H H 102 8.342 7.914 0.428 1 1 853 . 1 2 2 B 4 4 GLU HA H 102 4.282 4.517 -0.235 1 1 858 . 1 2 2 B 4 4 GLU C C 102 177.132 176.720 0.412 1 1 859 . 1 2 2 B 4 4 GLU CA C 102 57.410 54.641 2.769 1 1 861 . 1 2 2 B 4 4 GLU N N 102 121.884 117.190 4.694 1 1 862 . 1 2 2 B 5 5 GLY H H 103 8.331 8.671 -0.340 1 1 863 . 1 2 2 B 5 5 GLY HA2 H 103 3.960 3.949 0.011 1 1 864 . 1 2 2 B 5 5 GLY HA3 H 103 3.960 3.950 0.010 1 1 865 . 1 2 2 B 5 5 GLY C C 103 174.207 172.954 1.253 1 1 866 . 1 2 2 B 5 5 GLY CA C 103 45.731 45.522 0.209 1 1 867 . 1 2 2 B 5 5 GLY N N 103 110.055 109.107 0.948 1 1 868 . 1 2 2 B 6 6 ILE H H 104 7.831 8.390 -0.559 1 1 869 . 1 2 2 B 6 6 ILE HA H 104 4.286 4.398 -0.112 1 1 879 . 1 2 2 B 6 6 ILE C C 104 176.401 175.331 1.070 1 1 880 . 1 2 2 B 6 6 ILE CA C 104 61.558 60.646 0.912 1 1 881 . 1 2 2 B 6 6 ILE CB C 104 39.436 38.146 1.290 1 1 885 . 1 2 2 B 6 6 ILE N N 104 119.606 127.456 -7.850 1 1 886 . 1 2 2 B 7 7 SER H H 105 8.350 8.465 -0.115 1 1 887 . 1 2 2 B 7 7 SER HA H 105 4.545 4.255 0.290 1 1 890 . 1 2 2 B 7 7 SER C C 105 174.550 174.779 -0.229 1 1 891 . 1 2 2 B 7 7 SER CA C 105 58.667 58.744 -0.077 1 1 892 . 1 2 2 B 7 7 SER CB C 105 64.072 63.413 0.659 1 1 893 . 1 2 2 B 7 7 SER N N 105 119.853 119.125 0.728 1 1 894 . 1 2 2 B 8 8 ILE H H 106 7.921 8.573 -0.652 1 1 895 . 1 2 2 B 8 8 ILE HA H 106 4.205 4.205 0.000 1 1 905 . 1 2 2 B 8 8 ILE C C 106 175.921 175.306 0.615 1 1 906 . 1 2 2 B 8 8 ILE CA C 106 61.935 58.816 3.119 1 1 907 . 1 2 2 B 8 8 ILE CB C 106 39.436 39.627 -0.191 1 1 911 . 1 2 2 B 8 8 ILE N N 106 121.730 120.736 0.994 1 1 912 . 1 2 2 B 9 9 TYR H H 107 8.166 7.929 0.237 1 1 913 . 1 2 2 B 9 9 TYR HA H 107 4.713 4.851 -0.138 1 1 920 . 1 2 2 B 9 9 TYR C C 107 176.058 175.626 0.432 1 1 921 . 1 2 2 B 9 9 TYR CA C 107 58.165 57.857 0.308 1 1 922 . 1 2 2 B 9 9 TYR CB C 107 39.436 39.394 0.042 1 1 925 . 1 2 2 B 9 9 TYR N N 107 123.598 120.763 2.835 1 1 926 . 1 2 2 B 10 10 THR H H 108 7.961 8.590 -0.629 1 1 927 . 1 2 2 B 10 10 THR HA H 108 4.433 4.350 0.083 1 1 932 . 1 2 2 B 10 10 THR C C 108 174.459 174.516 -0.057 1 1 933 . 1 2 2 B 10 10 THR CA C 108 62.061 62.198 -0.137 1 1 934 . 1 2 2 B 10 10 THR CB C 108 70.608 69.464 1.144 1 1 936 . 1 2 2 B 10 10 THR N N 108 115.642 116.201 -0.559 1 1 937 . 1 2 2 B 11 11 SER H H 109 8.211 8.789 -0.578 1 1 938 . 1 2 2 B 11 11 SER HA H 109 4.507 4.614 -0.107 1 1 941 . 1 2 2 B 11 11 SER C C 109 174.504 173.886 0.618 1 1 942 . 1 2 2 B 11 11 SER CA C 109 58.919 59.238 -0.319 1 1 943 . 1 2 2 B 11 11 SER CB C 109 64.198 61.764 2.434 1 1 944 . 1 2 2 B 11 11 SER N N 109 117.260 121.312 -4.052 1 1 945 . 1 2 2 B 12 12 ASP H H 110 8.351 8.949 -0.598 1 1 946 . 1 2 2 B 12 12 ASP HA H 110 4.631 4.884 -0.253 1 1 949 . 1 2 2 B 12 12 ASP C C 110 176.058 177.820 -1.762 1 1 950 . 1 2 2 B 12 12 ASP CA C 110 55.022 55.635 -0.613 1 1 951 . 1 2 2 B 12 12 ASP CB C 110 41.825 42.555 -0.730 1 1 952 . 1 2 2 B 12 12 ASP N N 110 122.020 127.470 -5.450 1 1 953 . 1 2 2 B 13 13 ASN H H 111 8.230 7.975 0.255 1 1 954 . 1 2 2 B 13 13 ASN HA H 111 4.726 4.620 0.106 1 1 957 . 1 2 2 B 13 13 ASN C C 111 175.030 175.020 0.010 1 1 958 . 1 2 2 B 13 13 ASN CA C 111 53.765 54.872 -1.107 1 1 959 . 1 2 2 B 13 13 ASN CB C 111 39.562 39.009 0.553 1 1 960 . 1 2 2 B 13 13 ASN N N 111 118.317 116.761 1.556 1 1 961 . 1 2 2 B 14 14 TYR H H 112 8.101 7.764 0.337 1 1 962 . 1 2 2 B 14 14 TYR HA H 112 4.638 4.856 -0.218 1 1 969 . 1 2 2 B 14 14 TYR C C 112 176.081 176.093 -0.012 1 1 970 . 1 2 2 B 14 14 TYR CA C 112 58.793 57.828 0.965 1 1 971 . 1 2 2 B 14 14 TYR CB C 112 39.436 41.153 -1.717 1 1 974 . 1 2 2 B 14 14 TYR N N 112 120.850 118.813 2.037 1 1 975 . 1 2 2 B 15 15 THR H H 113 7.879 8.598 -0.719 1 1 976 . 1 2 2 B 15 15 THR HA H 113 4.284 4.420 -0.136 1 1 981 . 1 2 2 B 15 15 THR C C 113 174.413 174.669 -0.256 1 1 982 . 1 2 2 B 15 15 THR CA C 113 62.187 62.728 -0.541 1 1 983 . 1 2 2 B 15 15 THR CB C 113 70.341 69.439 0.902 1 1 985 . 1 2 2 B 15 15 THR N N 113 116.126 117.808 -1.682 1 1 986 . 1 2 2 B 16 16 GLU H H 114 8.253 7.966 0.287 1 1 987 . 1 2 2 B 16 16 GLU HA H 114 4.256 4.112 0.144 1 1 992 . 1 2 2 B 16 16 GLU C C 114 176.766 176.305 0.461 1 1 993 . 1 2 2 B 16 16 GLU CA C 114 57.410 57.291 0.119 1 1 994 . 1 2 2 B 16 16 GLU CB C 114 30.620 28.523 2.097 1 1 996 . 1 2 2 B 16 16 GLU N N 114 123.052 116.901 6.151 1 1 997 . 1 2 2 B 17 17 GLU H H 115 8.331 8.873 -0.542 1 1 998 . 1 2 2 B 17 17 GLU HA H 115 4.292 4.676 -0.384 1 1 1003 . 1 2 2 B 17 17 GLU C C 115 176.880 175.202 1.678 1 1 1004 . 1 2 2 B 17 17 GLU CA C 115 57.410 55.747 1.663 1 1 1005 . 1 2 2 B 17 17 GLU CB C 115 30.525 30.538 -0.013 1 1 1007 . 1 2 2 B 17 17 GLU N N 115 121.688 120.565 1.123 1 1 1008 . 1 2 2 B 18 18 MET H H 116 8.317 7.752 0.565 1 1 1009 . 1 2 2 B 18 18 MET HA H 116 4.490 5.021 -0.531 1 1 1014 . 1 2 2 B 18 18 MET C C 116 177.086 175.018 2.068 1 1 1015 . 1 2 2 B 18 18 MET CA C 116 56.279 53.628 2.651 1 1 1016 . 1 2 2 B 18 18 MET CB C 116 33.026 35.827 -2.801 1 1 1017 . 1 2 2 B 18 18 MET N N 116 121.270 118.498 2.772 1 1 1018 . 1 2 2 B 19 19 GLY H H 117 8.320 8.434 -0.114 1 1 1019 . 1 2 2 B 19 19 GLY HA2 H 117 4.054 4.144 -0.090 1 1 1020 . 1 2 2 B 19 19 GLY HA3 H 117 4.054 4.160 -0.106 1 1 1021 . 1 2 2 B 19 19 GLY C C 117 174.481 171.979 2.502 1 1 1022 . 1 2 2 B 19 19 GLY CA C 117 45.847 45.950 -0.103 1 1 1023 . 1 2 2 B 19 19 GLY N N 117 110.055 106.252 3.803 1 1 1024 . 1 2 2 B 20 20 SER H H 118 8.230 8.673 -0.443 1 1 1025 . 1 2 2 B 20 20 SER HA H 118 4.476 4.640 -0.164 1 1 1028 . 1 2 2 B 20 20 SER C C 118 175.327 173.982 1.345 1 1 1029 . 1 2 2 B 20 20 SER CA C 118 58.919 58.816 0.103 1 1 1030 . 1 2 2 B 20 20 SER CB C 118 64.575 64.207 0.368 1 1 1031 . 1 2 2 B 20 20 SER N N 118 115.664 117.098 -1.434 1 1 1032 . 1 2 2 B 21 21 GLY H H 119 8.371 8.376 -0.005 1 1 1033 . 1 2 2 B 21 21 GLY HA2 H 119 3.951 4.241 -0.290 1 1 1034 . 1 2 2 B 21 21 GLY HA3 H 119 3.951 4.241 -0.290 1 1 1035 . 1 2 2 B 21 21 GLY C C 119 174.002 172.617 1.385 1 1 1036 . 1 2 2 B 21 21 GLY CA C 119 45.721 45.549 0.172 1 1 1037 . 1 2 2 B 21 21 GLY N N 119 110.872 109.652 1.220 1 1 1068 . 1 2 2 B 25 25 SER H H 123 8.155 8.476 -0.321 1 1 1069 . 1 2 2 B 25 25 SER HA H 123 4.404 4.645 -0.241 1 1 1072 . 1 2 2 B 25 25 SER C C 123 175.075 173.127 1.948 1 1 1073 . 1 2 2 B 25 25 SER CA C 123 59.347 58.124 1.223 1 1 1074 . 1 2 2 B 25 25 SER CB C 123 63.879 63.191 0.688 1 1 1075 . 1 2 2 B 25 25 SER N N 123 116.126 119.721 -3.595 1 1 1076 . 1 2 2 B 26 26 MET H H 124 8.221 8.907 -0.686 1 1 1077 . 1 2 2 B 26 26 MET HA H 124 4.482 5.052 -0.570 1 1 1082 . 1 2 2 B 26 26 MET C C 124 176.355 174.077 2.278 1 1 1083 . 1 2 2 B 26 26 MET CA C 124 56.279 53.640 2.639 1 1 1084 . 1 2 2 B 26 26 MET CB C 124 32.900 35.607 -2.707 1 1 1086 . 1 2 2 B 26 26 MET N N 124 121.210 127.881 -6.671 1 1 1087 . 1 2 2 B 27 27 LYS H H 125 8.036 8.559 -0.523 1 1 1088 . 1 2 2 B 27 27 LYS HA H 125 4.333 5.038 -0.705 1 1 1097 . 1 2 2 B 27 27 LYS C C 125 176.355 175.613 0.742 1 1 1098 . 1 2 2 B 27 27 LYS CA C 125 56.656 54.461 2.195 1 1 1099 . 1 2 2 B 27 27 LYS CB C 125 33.529 36.300 -2.771 1 1 1103 . 1 2 2 B 27 27 LYS N N 125 121.457 118.047 3.410 1 1 1104 . 1 2 2 B 28 28 GLU H H 126 8.205 8.831 -0.626 1 1 1105 . 1 2 2 B 28 28 GLU N N 126 122.740 117.896 4.844 1 1 1106 . 1 2 2 B 29 29 PRO HA H 127 4.377 4.505 -0.128 1 1 1113 . 1 2 2 B 29 29 PRO C C 127 176.812 177.153 -0.341 1 1 1114 . 1 2 2 B 29 29 PRO CA C 127 63.821 63.278 0.543 1 1 1115 . 1 2 2 B 29 29 PRO CB C 127 32.272 32.029 0.243 1 1 1118 . 1 2 2 B 30 30 ALA H H 128 8.273 8.595 -0.322 1 1 1119 . 1 2 2 B 30 30 ALA HA H 128 4.287 4.579 -0.292 1 1 1123 . 1 2 2 B 30 30 ALA C C 128 177.589 178.009 -0.420 1 1 1124 . 1 2 2 B 30 30 ALA CA C 128 52.873 51.651 1.222 1 1 1125 . 1 2 2 B 30 30 ALA CB C 128 19.703 19.324 0.379 1 1 1126 . 1 2 2 B 30 30 ALA N N 128 123.577 126.805 -3.228 1 1 1127 . 1 2 2 B 31 31 PHE H H 129 8.019 7.798 0.221 1 1 1128 . 1 2 2 B 31 31 PHE HA H 129 4.621 4.171 0.450 1 1 1135 . 1 2 2 B 31 31 PHE C C 129 175.624 175.299 0.325 1 1 1136 . 1 2 2 B 31 31 PHE CA C 129 58.039 61.749 -3.710 1 1 1137 . 1 2 2 B 31 31 PHE CB C 129 40.055 39.525 0.530 1 1 1140 . 1 2 2 B 31 31 PHE N N 129 118.994 118.573 0.421 1 1 1141 . 1 2 2 B 32 32 ARG H H 130 8.042 7.730 0.312 1 1 1142 . 1 2 2 B 32 32 ARG HA H 130 4.332 4.838 -0.506 1 1 1149 . 1 2 2 B 32 32 ARG C C 130 175.875 174.948 0.927 1 1 1150 . 1 2 2 B 32 32 ARG CA C 130 56.154 54.585 1.569 1 1 1151 . 1 2 2 B 32 32 ARG CB C 130 31.643 32.224 -0.581 1 1 1154 . 1 2 2 B 32 32 ARG N N 130 122.929 118.943 3.986 1 1 1155 . 1 2 2 B 33 33 GLU H H 131 8.389 9.026 -0.637 1 1 1156 . 1 2 2 B 33 33 GLU HA H 131 4.276 5.227 -0.951 1 1 1161 . 1 2 2 B 33 33 GLU C C 131 176.766 175.453 1.313 1 1 1162 . 1 2 2 B 33 33 GLU CA C 131 57.285 54.746 2.539 1 1 1163 . 1 2 2 B 33 33 GLU CB C 131 30.512 33.178 -2.666 1 1 1165 . 1 2 2 B 33 33 GLU N N 131 122.719 125.837 -3.118 1 1 1166 . 1 2 2 B 34 34 GLU H H 132 8.502 9.050 -0.548 1 1 1167 . 1 2 2 B 34 34 GLU HA H 132 4.275 4.809 -0.534 1 1 1172 . 1 2 2 B 34 34 GLU C C 132 176.560 175.137 1.423 1 1 1173 . 1 2 2 B 34 34 GLU CA C 132 57.400 55.199 2.201 1 1 1174 . 1 2 2 B 34 34 GLU CB C 132 30.526 30.585 -0.059 1 1 1176 . 1 2 2 B 34 34 GLU N N 132 122.122 123.650 -1.528 1 1 1177 . 1 2 2 B 35 35 ASN H H 133 8.362 8.836 -0.474 1 1 1178 . 1 2 2 B 35 35 ASN HA H 133 4.693 5.287 -0.594 1 1 1181 . 1 2 2 B 35 35 ASN C C 133 175.258 174.109 1.149 1 1 1182 . 1 2 2 B 35 35 ASN CA C 133 53.765 52.801 0.964 1 1 1183 . 1 2 2 B 35 35 ASN CB C 133 39.562 39.199 0.363 1 1 1184 . 1 2 2 B 35 35 ASN N N 133 119.552 123.515 -3.963 1 1 1185 . 1 2 2 B 36 36 ALA H H 134 8.155 8.663 -0.508 1 1 1186 . 1 2 2 B 36 36 ALA HA H 134 4.289 4.701 -0.412 1 1 1190 . 1 2 2 B 36 36 ALA C C 134 177.520 177.251 0.269 1 1 1191 . 1 2 2 B 36 36 ALA CA C 134 52.873 50.491 2.382 1 1 1192 . 1 2 2 B 36 36 ALA CB C 134 19.703 19.733 -0.030 1 1 1193 . 1 2 2 B 36 36 ALA N N 134 124.376 127.516 -3.140 1 1 1194 . 1 2 2 B 37 37 ASN H H 135 8.210 8.653 -0.443 1 1 1195 . 1 2 2 B 37 37 ASN HA H 135 4.694 4.435 0.259 1 1 1198 . 1 2 2 B 37 37 ASN C C 135 175.144 175.185 -0.041 1 1 1199 . 1 2 2 B 37 37 ASN CA C 135 53.640 53.937 -0.297 1 1 1200 . 1 2 2 B 37 37 ASN CB C 135 39.311 36.966 2.345 1 1 1201 . 1 2 2 B 37 37 ASN N N 135 117.103 121.169 -4.066 1 1 1202 . 1 2 2 B 38 38 PHE H H 136 7.997 8.611 -0.614 1 1 1203 . 1 2 2 B 38 38 PHE HA H 136 4.659 4.995 -0.336 1 1 1210 . 1 2 2 B 38 38 PHE C C 136 175.601 174.428 1.173 1 1 1211 . 1 2 2 B 38 38 PHE CA C 136 58.165 56.077 2.088 1 1 1212 . 1 2 2 B 38 38 PHE CB C 136 39.939 39.955 -0.016 1 1 1215 . 1 2 2 B 38 38 PHE N N 136 120.229 127.084 -6.855 1 1 1216 . 1 2 2 B 39 39 ASN H H 137 8.272 8.326 -0.054 1 1 1217 . 1 2 2 B 39 39 ASN HA H 137 4.733 4.979 -0.246 1 1 1220 . 1 2 2 B 39 39 ASN C C 137 174.047 173.439 0.608 1 1 1221 . 1 2 2 B 39 39 ASN CA C 137 53.891 53.131 0.760 1 1 1222 . 1 2 2 B 39 39 ASN CB C 137 39.688 39.588 0.100 1 1 1223 . 1 2 2 B 39 39 ASN N N 137 120.594 123.898 -3.304 1 1 3 . 2 1 1 A 4 4 PRO HA H 2 4.509 4.757 -0.248 1 1 10 . 2 1 1 A 4 4 PRO C C 2 177.132 176.516 0.616 1 1 11 . 2 1 1 A 4 4 PRO CA C 2 63.529 62.624 0.905 1 1 12 . 2 1 1 A 4 4 PRO CB C 2 32.476 31.371 1.105 1 1 15 . 2 1 1 A 5 5 VAL H H 3 8.201 8.305 -0.104 1 1 16 . 2 1 1 A 5 5 VAL HA H 3 4.152 4.722 -0.570 1 1 24 . 2 1 1 A 5 5 VAL C C 3 176.423 175.553 0.870 1 1 25 . 2 1 1 A 5 5 VAL CA C 3 62.873 59.373 3.500 1 1 26 . 2 1 1 A 5 5 VAL CB C 3 33.455 34.409 -0.954 1 1 28 . 2 1 1 A 5 5 VAL N N 3 120.488 117.876 2.612 1 1 29 . 2 1 1 A 6 6 SER H H 4 8.276 8.567 -0.291 1 1 30 . 2 1 1 A 6 6 SER HA H 4 4.494 5.285 -0.791 1 1 33 . 2 1 1 A 6 6 SER C C 4 174.687 173.304 1.383 1 1 34 . 2 1 1 A 6 6 SER CA C 4 58.375 56.365 2.010 1 1 35 . 2 1 1 A 6 6 SER CB C 4 64.295 65.363 -1.068 1 1 36 . 2 1 1 A 6 6 SER N N 4 119.000 115.936 3.064 1 1 37 . 2 1 1 A 7 7 LEU H H 5 8.238 8.555 -0.317 1 1 38 . 2 1 1 A 7 7 LEU HA H 5 4.406 4.704 -0.298 1 1 44 . 2 1 1 A 7 7 LEU C C 5 177.406 174.535 2.871 1 1 45 . 2 1 1 A 7 7 LEU CA C 5 55.766 54.891 0.875 1 1 46 . 2 1 1 A 7 7 LEU CB C 5 43.132 43.900 -0.768 1 1 48 . 2 1 1 A 7 7 LEU N N 5 124.704 123.155 1.549 1 1 49 . 2 1 1 A 8 8 SER H H 6 8.148 8.897 -0.749 1 1 50 . 2 1 1 A 8 8 SER HA H 6 4.438 5.058 -0.620 1 1 53 . 2 1 1 A 8 8 SER C C 6 174.321 173.129 1.192 1 1 54 . 2 1 1 A 8 8 SER CA C 6 58.718 57.573 1.145 1 1 55 . 2 1 1 A 8 8 SER CB C 6 64.295 67.625 -3.330 1 1 56 . 2 1 1 A 8 8 SER N N 6 115.960 121.151 -5.191 1 1 57 . 2 1 1 A 9 9 TYR H H 7 7.954 8.651 -0.697 1 1 58 . 2 1 1 A 9 9 TYR HA H 7 4.585 4.815 -0.230 1 1 65 . 2 1 1 A 9 9 TYR C C 7 175.532 174.765 0.767 1 1 66 . 2 1 1 A 9 9 TYR CA C 7 58.335 57.039 1.296 1 1 67 . 2 1 1 A 9 9 TYR CB C 7 39.474 37.795 1.679 1 1 70 . 2 1 1 A 9 9 TYR N N 7 121.884 119.831 2.053 1 1 71 . 2 1 1 A 10 10 ARG H H 8 8.117 7.675 0.442 1 1 72 . 2 1 1 A 10 10 ARG HA H 8 4.349 4.697 -0.348 1 1 79 . 2 1 1 A 10 10 ARG C C 8 175.898 175.478 0.420 1 1 80 . 2 1 1 A 10 10 ARG CA C 8 56.048 54.394 1.654 1 1 81 . 2 1 1 A 10 10 ARG CB C 8 31.492 31.678 -0.186 1 1 84 . 2 1 1 A 10 10 ARG N N 8 121.977 117.258 4.719 1 1 85 . 2 1 1 A 11 11 CYS H H 9 8.127 8.774 -0.647 1 1 86 . 2 1 1 A 11 11 CYS HA H 9 4.984 5.113 -0.129 1 1 89 . 2 1 1 A 11 11 CYS C C 9 177.771 173.681 4.090 1 1 90 . 2 1 1 A 11 11 CYS CA C 9 53.192 54.992 -1.800 1 1 91 . 2 1 1 A 11 11 CYS CB C 9 40.897 42.159 -1.262 1 1 92 . 2 1 1 A 11 11 CYS N N 9 121.209 119.932 1.277 1 1 93 . 2 1 1 A 12 12 PRO HA H 10 4.321 4.384 -0.063 1 1 100 . 2 1 1 A 12 12 PRO CA C 10 65.478 64.218 1.260 1 1 101 . 2 1 1 A 12 12 PRO CB C 10 32.904 31.782 1.122 1 1 104 . 2 1 1 A 13 13 CYS H H 11 8.633 7.529 1.104 1 1 105 . 2 1 1 A 13 13 CYS C C 11 174.618 173.782 0.836 1 1 106 . 2 1 1 A 13 13 CYS N N 11 114.595 114.861 -0.266 1 1 107 . 2 1 1 A 14 14 ARG H H 12 8.236 8.842 -0.606 1 1 108 . 2 1 1 A 14 14 ARG HA H 12 4.067 4.075 -0.008 1 1 115 . 2 1 1 A 14 14 ARG C C 12 175.098 174.973 0.125 1 1 116 . 2 1 1 A 14 14 ARG CA C 12 57.370 57.646 -0.276 1 1 117 . 2 1 1 A 14 14 ARG CB C 12 31.631 31.075 0.556 1 1 120 . 2 1 1 A 14 14 ARG N N 12 122.779 124.141 -1.362 1 1 121 . 2 1 1 A 15 15 PHE H H 13 7.615 7.652 -0.037 1 1 122 . 2 1 1 A 15 15 PHE HA H 13 4.510 5.038 -0.528 1 1 129 . 2 1 1 A 15 15 PHE C C 13 174.162 174.456 -0.294 1 1 130 . 2 1 1 A 15 15 PHE CA C 13 56.289 56.140 0.149 1 1 131 . 2 1 1 A 15 15 PHE CB C 13 41.320 42.886 -1.566 1 1 134 . 2 1 1 A 15 15 PHE N N 13 116.797 114.316 2.481 1 1 135 . 2 1 1 A 16 16 PHE H H 14 8.125 8.543 -0.418 1 1 136 . 2 1 1 A 16 16 PHE HA H 14 4.767 5.736 -0.969 1 1 143 . 2 1 1 A 16 16 PHE C C 14 175.441 174.044 1.397 1 1 144 . 2 1 1 A 16 16 PHE CA C 14 55.767 55.346 0.421 1 1 145 . 2 1 1 A 16 16 PHE CB C 14 41.320 42.571 -1.251 1 1 148 . 2 1 1 A 16 16 PHE N N 14 118.930 117.699 1.231 1 1 149 . 2 1 1 A 17 17 GLU H H 15 8.836 8.672 0.164 1 1 150 . 2 1 1 A 17 17 GLU HA H 15 4.579 4.450 0.129 1 1 155 . 2 1 1 A 17 17 GLU C C 15 176.857 176.985 -0.128 1 1 156 . 2 1 1 A 17 17 GLU CA C 15 56.289 56.666 -0.377 1 1 157 . 2 1 1 A 17 17 GLU CB C 15 31.173 30.438 0.735 1 1 159 . 2 1 1 A 17 17 GLU N N 15 122.929 122.153 0.776 1 1 160 . 2 1 1 A 18 18 SER H H 16 8.751 8.798 -0.047 1 1 161 . 2 1 1 A 18 18 SER HA H 16 4.762 4.914 -0.152 1 1 164 . 2 1 1 A 18 18 SER C C 16 177.497 175.050 2.447 1 1 165 . 2 1 1 A 18 18 SER CA C 16 59.328 57.337 1.991 1 1 166 . 2 1 1 A 18 18 SER CB C 16 64.515 64.314 0.201 1 1 167 . 2 1 1 A 18 18 SER N N 16 118.860 112.948 5.912 1 1 168 . 2 1 1 A 19 19 HIS H H 17 8.761 7.961 0.800 1 1 169 . 2 1 1 A 19 19 HIS HA H 17 4.859 4.917 -0.058 1 1 174 . 2 1 1 A 19 19 HIS C C 17 174.618 174.346 0.272 1 1 175 . 2 1 1 A 19 19 HIS CA C 17 56.449 55.493 0.956 1 1 176 . 2 1 1 A 19 19 HIS CB C 17 29.870 30.080 -0.210 1 1 179 . 2 1 1 A 19 19 HIS N N 17 120.535 119.802 0.733 1 1 180 . 2 1 1 A 20 20 VAL H H 18 7.157 7.737 -0.580 1 1 181 . 2 1 1 A 20 20 VAL HA H 18 4.181 4.168 0.013 1 1 189 . 2 1 1 A 20 20 VAL C C 18 174.436 175.311 -0.875 1 1 190 . 2 1 1 A 20 20 VAL CA C 18 62.167 61.506 0.661 1 1 191 . 2 1 1 A 20 20 VAL CB C 18 34.426 33.717 0.709 1 1 193 . 2 1 1 A 20 20 VAL N N 18 120.872 120.791 0.081 1 1 194 . 2 1 1 A 21 21 ALA H H 19 8.521 8.756 -0.235 1 1 195 . 2 1 1 A 21 21 ALA HA H 19 4.372 4.295 0.077 1 1 199 . 2 1 1 A 21 21 ALA C C 19 177.657 177.591 0.066 1 1 200 . 2 1 1 A 21 21 ALA CA C 19 51.193 51.791 -0.598 1 1 201 . 2 1 1 A 21 21 ALA CB C 19 19.790 19.149 0.641 1 1 202 . 2 1 1 A 21 21 ALA N N 19 131.339 128.854 2.485 1 1 203 . 2 1 1 A 22 22 ARG H H 20 7.790 8.171 -0.381 1 1 204 . 2 1 1 A 22 22 ARG HA H 20 2.445 2.967 -0.522 1 1 211 . 2 1 1 A 22 22 ARG C C 20 178.365 177.506 0.859 1 1 212 . 2 1 1 A 22 22 ARG CA C 20 59.379 58.732 0.647 1 1 213 . 2 1 1 A 22 22 ARG CB C 20 29.572 28.828 0.744 1 1 216 . 2 1 1 A 22 22 ARG N N 20 124.365 124.164 0.201 1 1 217 . 2 1 1 A 23 23 ALA H H 21 8.120 7.724 0.396 1 1 218 . 2 1 1 A 23 23 ALA HA H 21 4.060 4.059 0.001 1 1 222 . 2 1 1 A 23 23 ALA C C 21 178.000 177.849 0.151 1 1 223 . 2 1 1 A 23 23 ALA CA C 21 54.100 53.799 0.301 1 1 224 . 2 1 1 A 23 23 ALA CB C 21 18.713 18.287 0.426 1 1 225 . 2 1 1 A 23 23 ALA N N 21 117.156 121.321 -4.165 1 1 226 . 2 1 1 A 24 24 ASN H H 22 7.717 7.688 0.029 1 1 227 . 2 1 1 A 24 24 ASN HA H 22 5.010 4.787 0.223 1 1 232 . 2 1 1 A 24 24 ASN C C 22 174.938 174.726 0.212 1 1 233 . 2 1 1 A 24 24 ASN CA C 22 52.869 52.334 0.535 1 1 234 . 2 1 1 A 24 24 ASN CB C 22 40.573 38.741 1.832 1 1 235 . 2 1 1 A 24 24 ASN N N 22 112.819 115.198 -2.379 1 1 237 . 2 1 1 A 25 25 VAL H H 23 7.489 7.612 -0.123 1 1 238 . 2 1 1 A 25 25 VAL HA H 23 4.888 4.486 0.402 1 1 246 . 2 1 1 A 25 25 VAL C C 23 175.829 175.441 0.388 1 1 247 . 2 1 1 A 25 25 VAL CA C 23 59.870 59.716 0.154 1 1 248 . 2 1 1 A 25 25 VAL CB C 23 35.396 33.902 1.494 1 1 251 . 2 1 1 A 25 25 VAL N N 23 119.721 117.935 1.786 1 1 252 . 2 1 1 A 26 26 LYS H H 24 9.479 9.581 -0.102 1 1 253 . 2 1 1 A 26 26 LYS HA H 24 4.353 4.353 0.000 1 1 262 . 2 1 1 A 26 26 LYS C C 24 176.606 176.607 -0.001 1 1 263 . 2 1 1 A 26 26 LYS CA C 24 58.977 57.455 1.522 1 1 264 . 2 1 1 A 26 26 LYS CB C 24 34.567 32.982 1.585 1 1 268 . 2 1 1 A 26 26 LYS N N 24 127.843 121.946 5.897 1 1 269 . 2 1 1 A 27 27 HIS H H 25 7.237 7.537 -0.300 1 1 270 . 2 1 1 A 27 27 HIS HA H 25 4.979 4.901 0.078 1 1 275 . 2 1 1 A 27 27 HIS C C 25 178.434 172.493 5.941 1 1 276 . 2 1 1 A 27 27 HIS CA C 25 55.406 54.786 0.620 1 1 277 . 2 1 1 A 27 27 HIS CB C 25 32.480 31.443 1.037 1 1 280 . 2 1 1 A 27 27 HIS N N 25 109.556 113.753 -4.197 1 1 281 . 2 1 1 A 28 28 LEU H H 26 8.189 8.784 -0.595 1 1 282 . 2 1 1 A 28 28 LEU HA H 26 5.190 5.229 -0.039 1 1 292 . 2 1 1 A 28 28 LEU C C 26 175.510 175.372 0.138 1 1 293 . 2 1 1 A 28 28 LEU CA C 26 53.480 53.549 -0.069 1 1 294 . 2 1 1 A 28 28 LEU CB C 26 45.235 45.276 -0.041 1 1 298 . 2 1 1 A 28 28 LEU N N 26 117.260 119.437 -2.177 1 1 299 . 2 1 1 A 29 29 LYS H H 27 9.572 9.018 0.554 1 1 300 . 2 1 1 A 29 29 LYS HA H 27 5.372 5.264 0.108 1 1 309 . 2 1 1 A 29 29 LYS C C 27 174.801 174.537 0.264 1 1 310 . 2 1 1 A 29 29 LYS CA C 27 55.165 54.786 0.379 1 1 311 . 2 1 1 A 29 29 LYS CB C 27 35.253 35.729 -0.476 1 1 315 . 2 1 1 A 29 29 LYS N N 27 123.488 122.911 0.577 1 1 316 . 2 1 1 A 30 30 ILE H H 28 9.136 9.105 0.031 1 1 317 . 2 1 1 A 30 30 ILE HA H 28 4.926 5.114 -0.188 1 1 327 . 2 1 1 A 30 30 ILE C C 28 176.949 175.181 1.768 1 1 328 . 2 1 1 A 30 30 ILE CA C 28 60.542 59.535 1.007 1 1 329 . 2 1 1 A 30 30 ILE CB C 28 39.600 40.849 -1.249 1 1 333 . 2 1 1 A 30 30 ILE N N 28 123.846 127.517 -3.671 1 1 334 . 2 1 1 A 31 31 LEU H H 29 8.830 8.776 0.054 1 1 335 . 2 1 1 A 31 31 LEU HA H 29 4.535 5.069 -0.534 1 1 344 . 2 1 1 A 31 31 LEU C C 29 176.012 175.250 0.762 1 1 345 . 2 1 1 A 31 31 LEU CA C 29 55.366 53.375 1.991 1 1 346 . 2 1 1 A 31 31 LEU CB C 29 43.180 46.079 -2.899 1 1 349 . 2 1 1 A 31 31 LEU N N 29 128.649 126.471 2.178 1 1 350 . 2 1 1 A 32 32 ASN H H 30 8.216 8.908 -0.692 1 1 351 . 2 1 1 A 32 32 ASN HA H 30 5.013 5.204 -0.191 1 1 356 . 2 1 1 A 32 32 ASN C C 30 174.664 174.569 0.095 1 1 357 . 2 1 1 A 32 32 ASN CA C 30 52.517 51.842 0.675 1 1 358 . 2 1 1 A 32 32 ASN CB C 30 38.776 39.854 -1.078 1 1 359 . 2 1 1 A 32 32 ASN N N 30 120.791 123.204 -2.413 1 1 361 . 2 1 1 A 33 33 THR H H 31 7.883 8.250 -0.367 1 1 362 . 2 1 1 A 33 33 THR HA H 31 4.842 4.926 -0.084 1 1 367 . 2 1 1 A 33 33 THR CA C 31 58.369 59.168 -0.799 1 1 368 . 2 1 1 A 33 33 THR CB C 31 70.018 69.585 0.433 1 1 370 . 2 1 1 A 33 33 THR N N 31 115.811 117.465 -1.654 1 1 371 . 2 1 1 A 34 34 PRO HA H 32 4.317 4.503 -0.186 1 1 378 . 2 1 1 A 34 34 PRO CA C 32 65.164 63.778 1.386 1 1 379 . 2 1 1 A 34 34 PRO CB C 32 32.484 31.182 1.302 1 1 382 . 2 1 1 A 35 35 ASN H H 33 8.254 8.648 -0.394 1 1 383 . 2 1 1 A 35 35 ASN HA H 33 4.651 5.020 -0.369 1 1 388 . 2 1 1 A 35 35 ASN C C 33 174.710 173.981 0.729 1 1 389 . 2 1 1 A 35 35 ASN CA C 33 54.532 53.839 0.693 1 1 390 . 2 1 1 A 35 35 ASN CB C 33 39.167 41.615 -2.448 1 1 391 . 2 1 1 A 35 35 ASN N N 33 120.081 116.905 3.176 1 1 393 . 2 1 1 A 36 36 CYS H H 34 7.548 7.976 -0.428 1 1 394 . 2 1 1 A 36 36 CYS HA H 34 4.694 5.005 -0.311 1 1 397 . 2 1 1 A 36 36 CYS C C 34 173.865 173.553 0.312 1 1 398 . 2 1 1 A 36 36 CYS CA C 34 55.447 54.931 0.516 1 1 399 . 2 1 1 A 36 36 CYS CB C 34 45.228 44.940 0.288 1 1 400 . 2 1 1 A 36 36 CYS N N 34 117.076 116.015 1.061 1 1 401 . 2 1 1 A 37 37 ALA H H 35 8.472 8.619 -0.147 1 1 402 . 2 1 1 A 37 37 ALA HA H 35 4.236 4.198 0.038 1 1 406 . 2 1 1 A 37 37 ALA C C 35 176.423 176.887 -0.464 1 1 407 . 2 1 1 A 37 37 ALA CA C 35 53.537 54.916 -1.379 1 1 408 . 2 1 1 A 37 37 ALA CB C 35 19.202 18.869 0.333 1 1 409 . 2 1 1 A 37 37 ALA N N 35 125.153 125.747 -0.594 1 1 410 . 2 1 1 A 38 38 CYS H H 36 8.316 8.049 0.267 1 1 411 . 2 1 1 A 38 38 CYS HA H 36 4.196 4.834 -0.638 1 1 414 . 2 1 1 A 38 38 CYS C C 36 173.705 172.772 0.933 1 1 415 . 2 1 1 A 38 38 CYS CA C 36 58.616 57.550 1.066 1 1 416 . 2 1 1 A 38 38 CYS CB C 36 45.705 30.775 14.930 1 1 417 . 2 1 1 A 38 38 CYS N N 36 118.837 114.419 4.418 1 1 418 . 2 1 1 A 39 39 GLN H H 37 8.921 8.839 0.082 1 1 419 . 2 1 1 A 39 39 GLN HA H 37 4.609 4.745 -0.136 1 1 426 . 2 1 1 A 39 39 GLN C C 37 173.636 174.214 -0.578 1 1 427 . 2 1 1 A 39 39 GLN CA C 37 54.603 54.039 0.564 1 1 428 . 2 1 1 A 39 39 GLN CB C 37 31.761 32.478 -0.717 1 1 430 . 2 1 1 A 39 39 GLN N N 37 128.567 125.669 2.898 1 1 432 . 2 1 1 A 40 40 ILE H H 38 8.893 8.528 0.365 1 1 433 . 2 1 1 A 40 40 ILE HA H 38 5.068 5.006 0.062 1 1 443 . 2 1 1 A 40 40 ILE C C 38 174.390 174.821 -0.431 1 1 444 . 2 1 1 A 40 40 ILE CA C 38 60.582 59.880 0.702 1 1 445 . 2 1 1 A 40 40 ILE CB C 38 40.048 40.307 -0.259 1 1 449 . 2 1 1 A 40 40 ILE N N 38 123.962 124.309 -0.347 1 1 450 . 2 1 1 A 41 41 VAL H H 39 9.120 9.755 -0.635 1 1 451 . 2 1 1 A 41 41 VAL HA H 39 4.845 4.949 -0.104 1 1 459 . 2 1 1 A 41 41 VAL C C 39 175.487 174.934 0.553 1 1 460 . 2 1 1 A 41 41 VAL CA C 39 59.980 61.040 -1.060 1 1 461 . 2 1 1 A 41 41 VAL CB C 39 35.868 34.120 1.748 1 1 464 . 2 1 1 A 41 41 VAL N N 39 126.354 127.002 -0.648 1 1 465 . 2 1 1 A 42 42 ALA H H 40 9.513 9.352 0.161 1 1 466 . 2 1 1 A 42 42 ALA HA H 40 5.154 5.414 -0.260 1 1 470 . 2 1 1 A 42 42 ALA C C 40 175.944 175.824 0.120 1 1 471 . 2 1 1 A 42 42 ALA CA C 40 50.591 49.893 0.698 1 1 472 . 2 1 1 A 42 42 ALA CB C 40 22.432 22.440 -0.008 1 1 473 . 2 1 1 A 42 42 ALA N N 40 128.406 129.645 -1.239 1 1 474 . 2 1 1 A 43 43 ARG H H 41 7.717 7.830 -0.113 1 1 475 . 2 1 1 A 43 43 ARG HA H 41 4.979 4.687 0.292 1 1 482 . 2 1 1 A 43 43 ARG C C 41 175.510 175.848 -0.338 1 1 483 . 2 1 1 A 43 43 ARG CA C 41 54.162 55.252 -1.090 1 1 484 . 2 1 1 A 43 43 ARG CB C 41 31.200 31.716 -0.516 1 1 487 . 2 1 1 A 43 43 ARG N N 41 121.663 121.584 0.079 1 1 488 . 2 1 1 A 44 44 LEU H H 42 9.163 8.176 0.987 1 1 489 . 2 1 1 A 44 44 LEU HA H 42 5.033 4.701 0.332 1 1 499 . 2 1 1 A 44 44 LEU C C 42 177.840 178.198 -0.358 1 1 500 . 2 1 1 A 44 44 LEU CA C 42 54.724 55.147 -0.423 1 1 501 . 2 1 1 A 44 44 LEU CB C 42 41.712 41.910 -0.198 1 1 505 . 2 1 1 A 44 44 LEU N N 42 129.087 125.779 3.308 1 1 506 . 2 1 1 A 45 45 LYS H H 43 8.417 9.010 -0.593 1 1 507 . 2 1 1 A 45 45 LYS HA H 43 3.950 4.130 -0.180 1 1 516 . 2 1 1 A 45 45 LYS CA C 43 59.016 59.160 -0.144 1 1 517 . 2 1 1 A 45 45 LYS CB C 43 34.102 32.762 1.340 1 1 520 . 2 1 1 A 45 45 LYS N N 43 119.674 122.668 -2.994 1 1 521 . 2 1 1 A 48 48 ASN HA H 46 4.723 4.900 -0.177 1 1 526 . 2 1 1 A 48 48 ASN C C 46 175.098 175.361 -0.263 1 1 527 . 2 1 1 A 48 48 ASN CA C 46 54.764 54.265 0.499 1 1 528 . 2 1 1 A 48 48 ASN CB C 46 39.265 39.742 -0.477 1 1 530 . 2 1 1 A 49 49 ARG H H 47 7.919 7.748 0.171 1 1 531 . 2 1 1 A 49 49 ARG HA H 47 4.353 4.609 -0.256 1 1 538 . 2 1 1 A 49 49 ARG C C 47 175.601 173.808 1.793 1 1 539 . 2 1 1 A 49 49 ARG CA C 47 57.051 54.935 2.116 1 1 540 . 2 1 1 A 49 49 ARG CB C 47 32.121 31.337 0.784 1 1 543 . 2 1 1 A 49 49 ARG N N 47 119.826 113.360 6.466 1 1 544 . 2 1 1 A 50 50 GLN H H 48 8.547 8.388 0.159 1 1 545 . 2 1 1 A 50 50 GLN HA H 48 5.456 5.075 0.381 1 1 552 . 2 1 1 A 50 50 GLN C C 48 175.578 175.521 0.057 1 1 553 . 2 1 1 A 50 50 GLN CA C 48 55.125 54.424 0.701 1 1 554 . 2 1 1 A 50 50 GLN CB C 48 32.121 31.399 0.722 1 1 556 . 2 1 1 A 50 50 GLN N N 48 120.767 119.378 1.389 1 1 558 . 2 1 1 A 51 51 VAL H H 49 8.630 8.940 -0.310 1 1 559 . 2 1 1 A 51 51 VAL HA H 49 4.826 4.856 -0.030 1 1 567 . 2 1 1 A 51 51 VAL C C 49 175.258 174.057 1.201 1 1 568 . 2 1 1 A 51 51 VAL CA C 49 59.338 59.082 0.256 1 1 569 . 2 1 1 A 51 51 VAL CB C 49 36.155 35.430 0.725 1 1 572 . 2 1 1 A 51 51 VAL N N 49 116.678 117.378 -0.700 1 1 573 . 2 1 1 A 52 52 CYS H H 50 9.100 8.438 0.662 1 1 574 . 2 1 1 A 52 52 CYS HA H 50 5.301 5.322 -0.021 1 1 577 . 2 1 1 A 52 52 CYS C C 50 174.527 173.156 1.371 1 1 578 . 2 1 1 A 52 52 CYS CA C 50 58.054 54.726 3.328 1 1 579 . 2 1 1 A 52 52 CYS CB C 50 43.375 43.438 -0.063 1 1 580 . 2 1 1 A 52 52 CYS N N 50 124.549 120.038 4.511 1 1 581 . 2 1 1 A 53 53 ILE H H 51 8.485 9.956 -1.471 1 1 582 . 2 1 1 A 53 53 ILE HA H 51 4.964 5.030 -0.066 1 1 592 . 2 1 1 A 53 53 ILE C C 51 173.019 175.225 -2.206 1 1 593 . 2 1 1 A 53 53 ILE CA C 51 58.897 60.003 -1.106 1 1 594 . 2 1 1 A 53 53 ILE CB C 51 42.201 40.976 1.225 1 1 598 . 2 1 1 A 53 53 ILE N N 51 122.581 125.960 -3.379 1 1 599 . 2 1 1 A 54 54 ASP H H 52 7.661 8.663 -1.002 1 1 600 . 2 1 1 A 54 54 ASP HA H 52 3.642 4.631 -0.989 1 1 603 . 2 1 1 A 54 54 ASP CA C 52 51.574 52.034 -0.460 1 1 604 . 2 1 1 A 54 54 ASP CB C 52 42.515 42.253 0.262 1 1 605 . 2 1 1 A 54 54 ASP N N 52 125.772 127.085 -1.313 1 1 606 . 2 1 1 A 55 55 PRO HA H 53 4.025 4.257 -0.232 1 1 613 . 2 1 1 A 55 55 PRO C C 53 176.126 177.008 -0.882 1 1 614 . 2 1 1 A 55 55 PRO CA C 53 63.993 63.931 0.062 1 1 615 . 2 1 1 A 55 55 PRO CB C 53 33.002 31.681 1.321 1 1 618 . 2 1 1 A 56 56 LYS H H 54 7.931 7.874 0.057 1 1 619 . 2 1 1 A 56 56 LYS HA H 54 3.988 4.391 -0.403 1 1 628 . 2 1 1 A 56 56 LYS C C 54 177.931 176.226 1.705 1 1 629 . 2 1 1 A 56 56 LYS CA C 54 56.770 56.288 0.482 1 1 630 . 2 1 1 A 56 56 LYS CB C 54 32.023 33.275 -1.252 1 1 634 . 2 1 1 A 56 56 LYS N N 54 112.924 115.785 -2.861 1 1 635 . 2 1 1 A 57 57 LEU H H 55 7.162 7.224 -0.062 1 1 636 . 2 1 1 A 57 57 LEU HA H 55 4.059 4.092 -0.033 1 1 646 . 2 1 1 A 57 57 LEU C C 55 179.416 177.805 1.611 1 1 647 . 2 1 1 A 57 57 LEU CA C 55 56.088 55.056 1.032 1 1 648 . 2 1 1 A 57 57 LEU CB C 55 42.191 42.502 -0.311 1 1 652 . 2 1 1 A 57 57 LEU N N 55 120.593 121.743 -1.150 1 1 653 . 2 1 1 A 58 58 LYS H H 56 8.720 8.899 -0.179 1 1 654 . 2 1 1 A 58 58 LYS HA H 56 3.920 3.841 0.079 1 1 663 . 2 1 1 A 58 58 LYS C C 56 178.937 178.032 0.905 1 1 664 . 2 1 1 A 58 58 LYS CA C 56 60.301 59.627 0.674 1 1 665 . 2 1 1 A 58 58 LYS CB C 56 32.121 32.397 -0.276 1 1 669 . 2 1 1 A 58 58 LYS N N 56 125.479 125.130 0.349 1 1 670 . 2 1 1 A 59 59 TRP H H 57 7.811 8.356 -0.545 1 1 671 . 2 1 1 A 59 59 TRP HA H 57 4.664 4.465 0.199 1 1 680 . 2 1 1 A 59 59 TRP C C 57 178.868 179.230 -0.362 1 1 681 . 2 1 1 A 59 59 TRP CA C 57 58.897 59.972 -1.075 1 1 682 . 2 1 1 A 59 59 TRP CB C 57 28.036 27.965 0.071 1 1 688 . 2 1 1 A 59 59 TRP N N 57 113.433 119.288 -5.855 1 1 690 . 2 1 1 A 60 60 ILE H H 58 6.467 7.525 -1.058 1 1 691 . 2 1 1 A 60 60 ILE HA H 58 3.325 3.487 -0.162 1 1 701 . 2 1 1 A 60 60 ILE C C 58 177.726 177.925 -0.199 1 1 702 . 2 1 1 A 60 60 ILE CA C 58 64.314 64.595 -0.281 1 1 703 . 2 1 1 A 60 60 ILE CB C 58 35.897 36.954 -1.057 1 1 707 . 2 1 1 A 60 60 ILE N N 58 124.379 122.446 1.933 1 1 708 . 2 1 1 A 61 61 GLN H H 59 7.624 8.540 -0.916 1 1 709 . 2 1 1 A 61 61 GLN HA H 59 3.755 3.905 -0.150 1 1 716 . 2 1 1 A 61 61 GLN C C 59 178.434 178.530 -0.096 1 1 717 . 2 1 1 A 61 61 GLN CA C 59 59.379 59.472 -0.093 1 1 718 . 2 1 1 A 61 61 GLN CB C 59 28.602 28.133 0.469 1 1 720 . 2 1 1 A 61 61 GLN N N 59 119.070 118.224 0.846 1 1 722 . 2 1 1 A 62 62 GLU H H 60 8.064 8.519 -0.455 1 1 723 . 2 1 1 A 62 62 GLU HA H 60 4.087 4.032 0.055 1 1 728 . 2 1 1 A 62 62 GLU C C 60 179.051 178.460 0.591 1 1 729 . 2 1 1 A 62 62 GLU CA C 60 59.659 59.441 0.218 1 1 730 . 2 1 1 A 62 62 GLU CB C 60 30.457 29.475 0.982 1 1 732 . 2 1 1 A 62 62 GLU N N 60 117.166 120.042 -2.876 1 1 733 . 2 1 1 A 63 63 TYR H H 61 7.924 8.113 -0.189 1 1 734 . 2 1 1 A 63 63 TYR HA H 61 4.254 4.258 -0.004 1 1 741 . 2 1 1 A 63 63 TYR C C 61 178.617 177.506 1.111 1 1 742 . 2 1 1 A 63 63 TYR CA C 61 61.184 61.459 -0.275 1 1 743 . 2 1 1 A 63 63 TYR CB C 61 39.461 38.603 0.858 1 1 746 . 2 1 1 A 63 63 TYR N N 61 121.271 121.159 0.112 1 1 747 . 2 1 1 A 64 64 LEU H H 62 8.260 9.121 -0.861 1 1 748 . 2 1 1 A 64 64 LEU HA H 62 3.966 3.942 0.024 1 1 758 . 2 1 1 A 64 64 LEU C C 62 179.553 179.059 0.494 1 1 759 . 2 1 1 A 64 64 LEU CA C 62 58.014 58.258 -0.244 1 1 760 . 2 1 1 A 64 64 LEU CB C 62 42.397 41.658 0.739 1 1 764 . 2 1 1 A 64 64 LEU N N 62 116.299 120.100 -3.801 1 1 765 . 2 1 1 A 65 65 GLU H H 63 8.454 8.394 0.060 1 1 766 . 2 1 1 A 65 65 GLU HA H 63 3.854 3.915 -0.061 1 1 771 . 2 1 1 A 65 65 GLU C C 63 179.279 179.062 0.217 1 1 772 . 2 1 1 A 65 65 GLU CA C 63 60.301 59.814 0.487 1 1 773 . 2 1 1 A 65 65 GLU CB C 63 29.870 29.465 0.405 1 1 775 . 2 1 1 A 65 65 GLU N N 63 118.616 117.639 0.977 1 1 776 . 2 1 1 A 66 66 LYS H H 64 7.575 7.582 -0.007 1 1 777 . 2 1 1 A 66 66 LYS HA H 64 4.225 4.052 0.173 1 1 786 . 2 1 1 A 66 66 LYS C C 64 178.457 178.870 -0.413 1 1 787 . 2 1 1 A 66 66 LYS CA C 64 58.496 59.174 -0.678 1 1 788 . 2 1 1 A 66 66 LYS CB C 64 32.400 31.993 0.407 1 1 792 . 2 1 1 A 66 66 LYS N N 64 117.166 118.518 -1.352 1 1 793 . 2 1 1 A 67 67 CYS H H 65 7.918 7.947 -0.029 1 1 794 . 2 1 1 A 67 67 CYS HA H 65 4.526 4.057 0.469 1 1 797 . 2 1 1 A 67 67 CYS C C 65 174.893 177.172 -2.279 1 1 798 . 2 1 1 A 67 67 CYS CA C 65 56.329 63.503 -7.174 1 1 799 . 2 1 1 A 67 67 CYS CB C 65 45.235 27.114 18.121 1 1 800 . 2 1 1 A 67 67 CYS N N 65 115.330 118.030 -2.700 1 1 801 . 2 1 1 A 68 68 LEU H H 66 7.559 7.964 -0.405 1 1 802 . 2 1 1 A 68 68 LEU HA H 66 4.491 4.071 0.420 1 1 812 . 2 1 1 A 68 68 LEU C C 66 176.812 178.150 -1.338 1 1 813 . 2 1 1 A 68 68 LEU CA C 66 55.366 58.026 -2.660 1 1 814 . 2 1 1 A 68 68 LEU CB C 66 43.278 41.463 1.815 1 1 818 . 2 1 1 A 68 68 LEU N N 66 120.930 123.252 -2.322 1 1 819 . 2 1 1 A 69 69 ASN H H 67 8.265 7.621 0.644 1 1 820 . 2 1 1 A 69 69 ASN HA H 67 4.669 4.531 0.138 1 1 825 . 2 1 1 A 69 69 ASN CA C 67 53.761 55.654 -1.893 1 1 826 . 2 1 1 A 69 69 ASN CB C 67 39.069 38.763 0.306 1 1 827 . 2 1 1 A 69 69 ASN N N 67 120.279 115.989 4.290 1 1 852 . 2 2 2 B 4 4 GLU H H 102 8.342 7.705 0.637 1 1 853 . 2 2 2 B 4 4 GLU HA H 102 4.282 4.676 -0.394 1 1 858 . 2 2 2 B 4 4 GLU C C 102 177.132 175.841 1.291 1 1 859 . 2 2 2 B 4 4 GLU CA C 102 57.410 55.672 1.738 1 1 861 . 2 2 2 B 4 4 GLU N N 102 121.884 120.211 1.673 1 1 862 . 2 2 2 B 5 5 GLY H H 103 8.331 8.875 -0.544 1 1 863 . 2 2 2 B 5 5 GLY HA2 H 103 3.960 4.222 -0.262 1 1 864 . 2 2 2 B 5 5 GLY HA3 H 103 3.960 4.230 -0.270 1 1 865 . 2 2 2 B 5 5 GLY C C 103 174.207 172.510 1.697 1 1 866 . 2 2 2 B 5 5 GLY CA C 103 45.731 44.996 0.735 1 1 867 . 2 2 2 B 5 5 GLY N N 103 110.055 113.214 -3.159 1 1 868 . 2 2 2 B 6 6 ILE H H 104 7.831 9.055 -1.224 1 1 869 . 2 2 2 B 6 6 ILE HA H 104 4.286 4.593 -0.307 1 1 879 . 2 2 2 B 6 6 ILE C C 104 176.401 175.172 1.229 1 1 880 . 2 2 2 B 6 6 ILE CA C 104 61.558 61.094 0.464 1 1 881 . 2 2 2 B 6 6 ILE CB C 104 39.436 36.826 2.610 1 1 885 . 2 2 2 B 6 6 ILE N N 104 119.606 127.971 -8.365 1 1 886 . 2 2 2 B 7 7 SER H H 105 8.350 8.597 -0.247 1 1 887 . 2 2 2 B 7 7 SER HA H 105 4.545 5.024 -0.479 1 1 890 . 2 2 2 B 7 7 SER C C 105 174.550 172.279 2.271 1 1 891 . 2 2 2 B 7 7 SER CA C 105 58.667 57.600 1.067 1 1 892 . 2 2 2 B 7 7 SER CB C 105 64.072 65.441 -1.369 1 1 893 . 2 2 2 B 7 7 SER N N 105 119.853 124.467 -4.614 1 1 894 . 2 2 2 B 8 8 ILE H H 106 7.921 9.069 -1.148 1 1 895 . 2 2 2 B 8 8 ILE HA H 106 4.205 4.318 -0.113 1 1 905 . 2 2 2 B 8 8 ILE C C 106 175.921 174.851 1.070 1 1 906 . 2 2 2 B 8 8 ILE CA C 106 61.935 60.103 1.832 1 1 907 . 2 2 2 B 8 8 ILE CB C 106 39.436 39.016 0.420 1 1 911 . 2 2 2 B 8 8 ILE N N 106 121.730 127.236 -5.506 1 1 912 . 2 2 2 B 9 9 TYR H H 107 8.166 8.734 -0.568 1 1 913 . 2 2 2 B 9 9 TYR HA H 107 4.713 5.106 -0.393 1 1 920 . 2 2 2 B 9 9 TYR C C 107 176.058 174.574 1.484 1 1 921 . 2 2 2 B 9 9 TYR CA C 107 58.165 56.276 1.889 1 1 922 . 2 2 2 B 9 9 TYR CB C 107 39.436 39.910 -0.474 1 1 925 . 2 2 2 B 9 9 TYR N N 107 123.598 126.392 -2.794 1 1 926 . 2 2 2 B 10 10 THR H H 108 7.961 8.774 -0.813 1 1 927 . 2 2 2 B 10 10 THR HA H 108 4.433 5.371 -0.938 1 1 932 . 2 2 2 B 10 10 THR C C 108 174.459 173.585 0.874 1 1 933 . 2 2 2 B 10 10 THR CA C 108 62.061 60.950 1.111 1 1 934 . 2 2 2 B 10 10 THR CB C 108 70.608 71.385 -0.777 1 1 936 . 2 2 2 B 10 10 THR N N 108 115.642 118.277 -2.635 1 1 937 . 2 2 2 B 11 11 SER H H 109 8.211 8.740 -0.529 1 1 938 . 2 2 2 B 11 11 SER HA H 109 4.507 4.740 -0.233 1 1 941 . 2 2 2 B 11 11 SER C C 109 174.504 174.043 0.461 1 1 942 . 2 2 2 B 11 11 SER CA C 109 58.919 59.090 -0.171 1 1 943 . 2 2 2 B 11 11 SER CB C 109 64.198 65.832 -1.634 1 1 944 . 2 2 2 B 11 11 SER N N 109 117.260 122.744 -5.484 1 1 945 . 2 2 2 B 12 12 ASP H H 110 8.351 7.991 0.360 1 1 946 . 2 2 2 B 12 12 ASP HA H 110 4.631 5.080 -0.449 1 1 949 . 2 2 2 B 12 12 ASP C C 110 176.058 174.696 1.362 1 1 950 . 2 2 2 B 12 12 ASP CA C 110 55.022 53.932 1.090 1 1 951 . 2 2 2 B 12 12 ASP CB C 110 41.825 44.103 -2.278 1 1 952 . 2 2 2 B 12 12 ASP N N 110 122.020 116.417 5.603 1 1 953 . 2 2 2 B 13 13 ASN H H 111 8.230 9.372 -1.142 1 1 954 . 2 2 2 B 13 13 ASN HA H 111 4.726 4.804 -0.078 1 1 957 . 2 2 2 B 13 13 ASN C C 111 175.030 174.849 0.181 1 1 958 . 2 2 2 B 13 13 ASN CA C 111 53.765 55.267 -1.502 1 1 959 . 2 2 2 B 13 13 ASN CB C 111 39.562 37.333 2.229 1 1 960 . 2 2 2 B 13 13 ASN N N 111 118.317 123.820 -5.503 1 1 961 . 2 2 2 B 14 14 TYR H H 112 8.101 8.958 -0.857 1 1 962 . 2 2 2 B 14 14 TYR HA H 112 4.638 4.560 0.078 1 1 969 . 2 2 2 B 14 14 TYR C C 112 176.081 175.090 0.991 1 1 970 . 2 2 2 B 14 14 TYR CA C 112 58.793 59.548 -0.755 1 1 971 . 2 2 2 B 14 14 TYR CB C 112 39.436 37.996 1.440 1 1 974 . 2 2 2 B 14 14 TYR N N 112 120.850 122.412 -1.562 1 1 975 . 2 2 2 B 15 15 THR H H 113 7.879 8.624 -0.745 1 1 976 . 2 2 2 B 15 15 THR HA H 113 4.284 4.046 0.238 1 1 981 . 2 2 2 B 15 15 THR C C 113 174.413 174.990 -0.577 1 1 982 . 2 2 2 B 15 15 THR CA C 113 62.187 62.736 -0.549 1 1 983 . 2 2 2 B 15 15 THR CB C 113 70.341 66.336 4.005 1 1 985 . 2 2 2 B 15 15 THR N N 113 116.126 113.198 2.928 1 1 986 . 2 2 2 B 16 16 GLU H H 114 8.253 8.238 0.015 1 1 987 . 2 2 2 B 16 16 GLU HA H 114 4.256 4.347 -0.091 1 1 992 . 2 2 2 B 16 16 GLU C C 114 176.766 177.067 -0.301 1 1 993 . 2 2 2 B 16 16 GLU CA C 114 57.410 57.715 -0.305 1 1 994 . 2 2 2 B 16 16 GLU CB C 114 30.620 28.224 2.396 1 1 996 . 2 2 2 B 16 16 GLU N N 114 123.052 122.189 0.863 1 1 997 . 2 2 2 B 17 17 GLU H H 115 8.331 8.610 -0.279 1 1 998 . 2 2 2 B 17 17 GLU HA H 115 4.292 4.553 -0.261 1 1 1003 . 2 2 2 B 17 17 GLU C C 115 176.880 175.843 1.037 1 1 1004 . 2 2 2 B 17 17 GLU CA C 115 57.410 55.937 1.473 1 1 1005 . 2 2 2 B 17 17 GLU CB C 115 30.525 31.253 -0.728 1 1 1007 . 2 2 2 B 17 17 GLU N N 115 121.688 117.328 4.360 1 1 1008 . 2 2 2 B 18 18 MET H H 116 8.317 7.717 0.600 1 1 1009 . 2 2 2 B 18 18 MET HA H 116 4.490 5.210 -0.720 1 1 1014 . 2 2 2 B 18 18 MET C C 116 177.086 175.500 1.586 1 1 1015 . 2 2 2 B 18 18 MET CA C 116 56.279 54.744 1.535 1 1 1016 . 2 2 2 B 18 18 MET CB C 116 33.026 36.745 -3.719 1 1 1017 . 2 2 2 B 18 18 MET N N 116 121.270 119.060 2.210 1 1 1018 . 2 2 2 B 19 19 GLY H H 117 8.320 8.501 -0.181 1 1 1019 . 2 2 2 B 19 19 GLY HA2 H 117 4.054 4.249 -0.195 1 1 1020 . 2 2 2 B 19 19 GLY HA3 H 117 4.054 4.318 -0.264 1 1 1021 . 2 2 2 B 19 19 GLY C C 117 174.481 172.419 2.062 1 1 1022 . 2 2 2 B 19 19 GLY CA C 117 45.847 45.716 0.131 1 1 1023 . 2 2 2 B 19 19 GLY N N 117 110.055 110.556 -0.501 1 1 1024 . 2 2 2 B 20 20 SER H H 118 8.230 8.584 -0.354 1 1 1025 . 2 2 2 B 20 20 SER HA H 118 4.476 5.098 -0.622 1 1 1028 . 2 2 2 B 20 20 SER C C 118 175.327 174.090 1.237 1 1 1029 . 2 2 2 B 20 20 SER CA C 118 58.919 57.475 1.444 1 1 1030 . 2 2 2 B 20 20 SER CB C 118 64.575 65.159 -0.584 1 1 1031 . 2 2 2 B 20 20 SER N N 118 115.664 116.973 -1.309 1 1 1032 . 2 2 2 B 21 21 GLY H H 119 8.371 8.348 0.023 1 1 1033 . 2 2 2 B 21 21 GLY HA2 H 119 3.951 4.179 -0.228 1 1 1034 . 2 2 2 B 21 21 GLY HA3 H 119 3.951 4.180 -0.229 1 1 1035 . 2 2 2 B 21 21 GLY C C 119 174.002 173.262 0.740 1 1 1036 . 2 2 2 B 21 21 GLY CA C 119 45.721 45.400 0.321 1 1 1037 . 2 2 2 B 21 21 GLY N N 119 110.872 109.597 1.275 1 1 1068 . 2 2 2 B 25 25 SER H H 123 8.155 8.271 -0.116 1 1 1069 . 2 2 2 B 25 25 SER HA H 123 4.404 4.688 -0.284 1 1 1072 . 2 2 2 B 25 25 SER C C 123 175.075 173.737 1.338 1 1 1073 . 2 2 2 B 25 25 SER CA C 123 59.347 57.803 1.544 1 1 1074 . 2 2 2 B 25 25 SER CB C 123 63.879 62.777 1.102 1 1 1075 . 2 2 2 B 25 25 SER N N 123 116.126 115.715 0.411 1 1 1076 . 2 2 2 B 26 26 MET H H 124 8.221 8.127 0.094 1 1 1077 . 2 2 2 B 26 26 MET HA H 124 4.482 5.195 -0.713 1 1 1082 . 2 2 2 B 26 26 MET C C 124 176.355 174.868 1.487 1 1 1083 . 2 2 2 B 26 26 MET CA C 124 56.279 54.484 1.795 1 1 1084 . 2 2 2 B 26 26 MET CB C 124 32.900 36.073 -3.173 1 1 1086 . 2 2 2 B 26 26 MET N N 124 121.210 125.553 -4.343 1 1 1087 . 2 2 2 B 27 27 LYS H H 125 8.036 8.625 -0.589 1 1 1088 . 2 2 2 B 27 27 LYS HA H 125 4.333 5.019 -0.686 1 1 1097 . 2 2 2 B 27 27 LYS C C 125 176.355 175.066 1.289 1 1 1098 . 2 2 2 B 27 27 LYS CA C 125 56.656 54.254 2.402 1 1 1099 . 2 2 2 B 27 27 LYS CB C 125 33.529 35.805 -2.276 1 1 1103 . 2 2 2 B 27 27 LYS N N 125 121.457 119.661 1.796 1 1 1104 . 2 2 2 B 28 28 GLU H H 126 8.205 8.660 -0.455 1 1 1105 . 2 2 2 B 28 28 GLU N N 126 122.740 117.683 5.057 1 1 1106 . 2 2 2 B 29 29 PRO HA H 127 4.377 4.401 -0.024 1 1 1113 . 2 2 2 B 29 29 PRO C C 127 176.812 175.333 1.479 1 1 1114 . 2 2 2 B 29 29 PRO CA C 127 63.821 63.086 0.735 1 1 1115 . 2 2 2 B 29 29 PRO CB C 127 32.272 32.073 0.199 1 1 1118 . 2 2 2 B 30 30 ALA H H 128 8.273 8.493 -0.220 1 1 1119 . 2 2 2 B 30 30 ALA HA H 128 4.287 4.558 -0.271 1 1 1123 . 2 2 2 B 30 30 ALA C C 128 177.589 177.395 0.194 1 1 1124 . 2 2 2 B 30 30 ALA CA C 128 52.873 50.480 2.393 1 1 1125 . 2 2 2 B 30 30 ALA CB C 128 19.703 19.283 0.420 1 1 1126 . 2 2 2 B 30 30 ALA N N 128 123.577 125.796 -2.219 1 1 1127 . 2 2 2 B 31 31 PHE H H 129 8.019 8.381 -0.362 1 1 1128 . 2 2 2 B 31 31 PHE HA H 129 4.621 4.362 0.259 1 1 1135 . 2 2 2 B 31 31 PHE C C 129 175.624 177.668 -2.044 1 1 1136 . 2 2 2 B 31 31 PHE CA C 129 58.039 60.103 -2.064 1 1 1137 . 2 2 2 B 31 31 PHE CB C 129 40.055 40.140 -0.085 1 1 1140 . 2 2 2 B 31 31 PHE N N 129 118.994 121.429 -2.435 1 1 1141 . 2 2 2 B 32 32 ARG H H 130 8.042 8.082 -0.040 1 1 1142 . 2 2 2 B 32 32 ARG HA H 130 4.332 4.405 -0.073 1 1 1149 . 2 2 2 B 32 32 ARG C C 130 175.875 176.736 -0.861 1 1 1150 . 2 2 2 B 32 32 ARG CA C 130 56.154 55.814 0.340 1 1 1151 . 2 2 2 B 32 32 ARG CB C 130 31.643 31.105 0.538 1 1 1154 . 2 2 2 B 32 32 ARG N N 130 122.929 116.763 6.166 1 1 1155 . 2 2 2 B 33 33 GLU H H 131 8.389 8.049 0.340 1 1 1156 . 2 2 2 B 33 33 GLU HA H 131 4.276 4.427 -0.151 1 1 1161 . 2 2 2 B 33 33 GLU C C 131 176.766 175.127 1.639 1 1 1162 . 2 2 2 B 33 33 GLU CA C 131 57.285 58.613 -1.328 1 1 1163 . 2 2 2 B 33 33 GLU CB C 131 30.512 28.776 1.736 1 1 1165 . 2 2 2 B 33 33 GLU N N 131 122.719 117.377 5.342 1 1 1166 . 2 2 2 B 34 34 GLU H H 132 8.502 8.805 -0.303 1 1 1167 . 2 2 2 B 34 34 GLU HA H 132 4.275 4.422 -0.147 1 1 1172 . 2 2 2 B 34 34 GLU C C 132 176.560 175.455 1.105 1 1 1173 . 2 2 2 B 34 34 GLU CA C 132 57.400 55.659 1.741 1 1 1174 . 2 2 2 B 34 34 GLU CB C 132 30.526 28.849 1.677 1 1 1176 . 2 2 2 B 34 34 GLU N N 132 122.122 124.186 -2.064 1 1 1177 . 2 2 2 B 35 35 ASN H H 133 8.362 8.714 -0.352 1 1 1178 . 2 2 2 B 35 35 ASN HA H 133 4.693 5.071 -0.378 1 1 1181 . 2 2 2 B 35 35 ASN C C 133 175.258 173.876 1.382 1 1 1182 . 2 2 2 B 35 35 ASN CA C 133 53.765 52.350 1.415 1 1 1183 . 2 2 2 B 35 35 ASN CB C 133 39.562 37.454 2.108 1 1 1184 . 2 2 2 B 35 35 ASN N N 133 119.552 123.483 -3.931 1 1 1185 . 2 2 2 B 36 36 ALA H H 134 8.155 8.057 0.098 1 1 1186 . 2 2 2 B 36 36 ALA HA H 134 4.289 4.686 -0.397 1 1 1190 . 2 2 2 B 36 36 ALA C C 134 177.520 177.389 0.131 1 1 1191 . 2 2 2 B 36 36 ALA CA C 134 52.873 50.805 2.068 1 1 1192 . 2 2 2 B 36 36 ALA CB C 134 19.703 19.912 -0.209 1 1 1193 . 2 2 2 B 36 36 ALA N N 134 124.376 129.032 -4.656 1 1 1194 . 2 2 2 B 37 37 ASN H H 135 8.210 8.844 -0.634 1 1 1195 . 2 2 2 B 37 37 ASN HA H 135 4.694 4.556 0.138 1 1 1198 . 2 2 2 B 37 37 ASN C C 135 175.144 174.999 0.145 1 1 1199 . 2 2 2 B 37 37 ASN CA C 135 53.640 54.329 -0.689 1 1 1200 . 2 2 2 B 37 37 ASN CB C 135 39.311 39.549 -0.238 1 1 1201 . 2 2 2 B 37 37 ASN N N 135 117.103 123.087 -5.984 1 1 1202 . 2 2 2 B 38 38 PHE H H 136 7.997 7.721 0.276 1 1 1203 . 2 2 2 B 38 38 PHE HA H 136 4.659 4.865 -0.206 1 1 1210 . 2 2 2 B 38 38 PHE C C 136 175.601 175.119 0.482 1 1 1211 . 2 2 2 B 38 38 PHE CA C 136 58.165 57.260 0.905 1 1 1212 . 2 2 2 B 38 38 PHE CB C 136 39.939 42.110 -2.171 1 1 1215 . 2 2 2 B 38 38 PHE N N 136 120.229 116.409 3.820 1 1 1216 . 2 2 2 B 39 39 ASN H H 137 8.272 8.802 -0.530 1 1 1217 . 2 2 2 B 39 39 ASN HA H 137 4.733 5.420 -0.687 1 1 1220 . 2 2 2 B 39 39 ASN C C 137 174.047 174.710 -0.663 1 1 1221 . 2 2 2 B 39 39 ASN CA C 137 53.891 51.972 1.919 1 1 1222 . 2 2 2 B 39 39 ASN CB C 137 39.688 40.042 -0.354 1 1 1223 . 2 2 2 B 39 39 ASN N N 137 120.594 117.330 3.264 1 1 3 . 3 1 1 A 4 4 PRO HA H 2 4.509 4.757 -0.248 1 1 10 . 3 1 1 A 4 4 PRO C C 2 177.132 176.480 0.652 1 1 11 . 3 1 1 A 4 4 PRO CA C 2 63.529 62.247 1.282 1 1 12 . 3 1 1 A 4 4 PRO CB C 2 32.476 32.788 -0.312 1 1 15 . 3 1 1 A 5 5 VAL H H 3 8.201 8.329 -0.128 1 1 16 . 3 1 1 A 5 5 VAL HA H 3 4.152 4.497 -0.345 1 1 24 . 3 1 1 A 5 5 VAL C C 3 176.423 174.889 1.534 1 1 25 . 3 1 1 A 5 5 VAL CA C 3 62.873 60.532 2.341 1 1 26 . 3 1 1 A 5 5 VAL CB C 3 33.455 33.268 0.187 1 1 28 . 3 1 1 A 5 5 VAL N N 3 120.488 117.467 3.021 1 1 29 . 3 1 1 A 6 6 SER H H 4 8.276 8.894 -0.618 1 1 30 . 3 1 1 A 6 6 SER HA H 4 4.494 4.685 -0.191 1 1 33 . 3 1 1 A 6 6 SER C C 4 174.687 173.913 0.774 1 1 34 . 3 1 1 A 6 6 SER CA C 4 58.375 58.007 0.368 1 1 35 . 3 1 1 A 6 6 SER CB C 4 64.295 61.933 2.362 1 1 36 . 3 1 1 A 6 6 SER N N 4 119.000 123.886 -4.886 1 1 37 . 3 1 1 A 7 7 LEU H H 5 8.238 8.169 0.069 1 1 38 . 3 1 1 A 7 7 LEU HA H 5 4.406 5.135 -0.729 1 1 44 . 3 1 1 A 7 7 LEU C C 5 177.406 175.951 1.455 1 1 45 . 3 1 1 A 7 7 LEU CA C 5 55.766 53.426 2.340 1 1 46 . 3 1 1 A 7 7 LEU CB C 5 43.132 43.653 -0.521 1 1 48 . 3 1 1 A 7 7 LEU N N 5 124.704 122.643 2.061 1 1 49 . 3 1 1 A 8 8 SER H H 6 8.148 8.752 -0.604 1 1 50 . 3 1 1 A 8 8 SER HA H 6 4.438 4.947 -0.509 1 1 53 . 3 1 1 A 8 8 SER C C 6 174.321 172.410 1.911 1 1 54 . 3 1 1 A 8 8 SER CA C 6 58.718 57.359 1.359 1 1 55 . 3 1 1 A 8 8 SER CB C 6 64.295 66.205 -1.910 1 1 56 . 3 1 1 A 8 8 SER N N 6 115.960 115.512 0.448 1 1 57 . 3 1 1 A 9 9 TYR H H 7 7.954 8.816 -0.862 1 1 58 . 3 1 1 A 9 9 TYR HA H 7 4.585 4.846 -0.261 1 1 65 . 3 1 1 A 9 9 TYR C C 7 175.532 175.834 -0.302 1 1 66 . 3 1 1 A 9 9 TYR CA C 7 58.335 58.691 -0.356 1 1 67 . 3 1 1 A 9 9 TYR CB C 7 39.474 38.321 1.153 1 1 70 . 3 1 1 A 9 9 TYR N N 7 121.884 121.247 0.637 1 1 71 . 3 1 1 A 10 10 ARG H H 8 8.117 8.980 -0.863 1 1 72 . 3 1 1 A 10 10 ARG HA H 8 4.349 5.096 -0.747 1 1 79 . 3 1 1 A 10 10 ARG C C 8 175.898 175.047 0.851 1 1 80 . 3 1 1 A 10 10 ARG CA C 8 56.048 54.773 1.275 1 1 81 . 3 1 1 A 10 10 ARG CB C 8 31.492 33.022 -1.530 1 1 84 . 3 1 1 A 10 10 ARG N N 8 121.977 124.158 -2.181 1 1 85 . 3 1 1 A 11 11 CYS H H 9 8.127 8.602 -0.475 1 1 86 . 3 1 1 A 11 11 CYS HA H 9 4.984 5.017 -0.033 1 1 89 . 3 1 1 A 11 11 CYS C C 9 177.771 173.243 4.528 1 1 90 . 3 1 1 A 11 11 CYS CA C 9 53.192 53.603 -0.411 1 1 91 . 3 1 1 A 11 11 CYS CB C 9 40.897 45.258 -4.361 1 1 92 . 3 1 1 A 11 11 CYS N N 9 121.209 119.868 1.341 1 1 93 . 3 1 1 A 12 12 PRO HA H 10 4.321 4.438 -0.117 1 1 100 . 3 1 1 A 12 12 PRO CA C 10 65.478 64.114 1.364 1 1 101 . 3 1 1 A 12 12 PRO CB C 10 32.904 31.880 1.024 1 1 104 . 3 1 1 A 13 13 CYS H H 11 8.633 7.432 1.201 1 1 105 . 3 1 1 A 13 13 CYS C C 11 174.618 173.325 1.293 1 1 106 . 3 1 1 A 13 13 CYS N N 11 114.595 111.203 3.392 1 1 107 . 3 1 1 A 14 14 ARG H H 12 8.236 8.590 -0.354 1 1 108 . 3 1 1 A 14 14 ARG HA H 12 4.067 4.236 -0.169 1 1 115 . 3 1 1 A 14 14 ARG C C 12 175.098 175.651 -0.553 1 1 116 . 3 1 1 A 14 14 ARG CA C 12 57.370 57.269 0.101 1 1 117 . 3 1 1 A 14 14 ARG CB C 12 31.631 30.340 1.291 1 1 120 . 3 1 1 A 14 14 ARG N N 12 122.779 123.551 -0.772 1 1 121 . 3 1 1 A 15 15 PHE H H 13 7.615 7.677 -0.062 1 1 122 . 3 1 1 A 15 15 PHE HA H 13 4.510 4.776 -0.266 1 1 129 . 3 1 1 A 15 15 PHE C C 13 174.162 174.702 -0.540 1 1 130 . 3 1 1 A 15 15 PHE CA C 13 56.289 55.624 0.665 1 1 131 . 3 1 1 A 15 15 PHE CB C 13 41.320 42.051 -0.731 1 1 134 . 3 1 1 A 15 15 PHE N N 13 116.797 115.850 0.947 1 1 135 . 3 1 1 A 16 16 PHE H H 14 8.125 8.444 -0.319 1 1 136 . 3 1 1 A 16 16 PHE HA H 14 4.767 5.677 -0.910 1 1 143 . 3 1 1 A 16 16 PHE C C 14 175.441 174.400 1.041 1 1 144 . 3 1 1 A 16 16 PHE CA C 14 55.767 55.142 0.625 1 1 145 . 3 1 1 A 16 16 PHE CB C 14 41.320 42.585 -1.265 1 1 148 . 3 1 1 A 16 16 PHE N N 14 118.930 119.167 -0.237 1 1 149 . 3 1 1 A 17 17 GLU H H 15 8.836 8.488 0.348 1 1 150 . 3 1 1 A 17 17 GLU HA H 15 4.579 4.447 0.132 1 1 155 . 3 1 1 A 17 17 GLU C C 15 176.857 177.055 -0.198 1 1 156 . 3 1 1 A 17 17 GLU CA C 15 56.289 57.040 -0.751 1 1 157 . 3 1 1 A 17 17 GLU CB C 15 31.173 30.290 0.883 1 1 159 . 3 1 1 A 17 17 GLU N N 15 122.929 121.111 1.818 1 1 160 . 3 1 1 A 18 18 SER H H 16 8.751 8.764 -0.013 1 1 161 . 3 1 1 A 18 18 SER HA H 16 4.762 4.734 0.028 1 1 164 . 3 1 1 A 18 18 SER C C 16 177.497 175.317 2.180 1 1 165 . 3 1 1 A 18 18 SER CA C 16 59.328 58.533 0.795 1 1 166 . 3 1 1 A 18 18 SER CB C 16 64.515 64.831 -0.316 1 1 167 . 3 1 1 A 18 18 SER N N 16 118.860 114.269 4.591 1 1 168 . 3 1 1 A 19 19 HIS H H 17 8.761 8.160 0.601 1 1 169 . 3 1 1 A 19 19 HIS HA H 17 4.859 4.892 -0.033 1 1 174 . 3 1 1 A 19 19 HIS C C 17 174.618 174.910 -0.292 1 1 175 . 3 1 1 A 19 19 HIS CA C 17 56.449 55.433 1.016 1 1 176 . 3 1 1 A 19 19 HIS CB C 17 29.870 29.335 0.535 1 1 179 . 3 1 1 A 19 19 HIS N N 17 120.535 119.210 1.325 1 1 180 . 3 1 1 A 20 20 VAL H H 18 7.157 7.672 -0.515 1 1 181 . 3 1 1 A 20 20 VAL HA H 18 4.181 4.501 -0.320 1 1 189 . 3 1 1 A 20 20 VAL C C 18 174.436 175.238 -0.802 1 1 190 . 3 1 1 A 20 20 VAL CA C 18 62.167 60.155 2.012 1 1 191 . 3 1 1 A 20 20 VAL CB C 18 34.426 34.154 0.272 1 1 193 . 3 1 1 A 20 20 VAL N N 18 120.872 119.864 1.008 1 1 194 . 3 1 1 A 21 21 ALA H H 19 8.521 8.778 -0.257 1 1 195 . 3 1 1 A 21 21 ALA HA H 19 4.372 4.277 0.095 1 1 199 . 3 1 1 A 21 21 ALA C C 19 177.657 177.747 -0.090 1 1 200 . 3 1 1 A 21 21 ALA CA C 19 51.193 51.616 -0.423 1 1 201 . 3 1 1 A 21 21 ALA CB C 19 19.790 19.449 0.341 1 1 202 . 3 1 1 A 21 21 ALA N N 19 131.339 130.455 0.884 1 1 203 . 3 1 1 A 22 22 ARG H H 20 7.790 7.918 -0.128 1 1 204 . 3 1 1 A 22 22 ARG HA H 20 2.445 3.160 -0.715 1 1 211 . 3 1 1 A 22 22 ARG C C 20 178.365 177.412 0.953 1 1 212 . 3 1 1 A 22 22 ARG CA C 20 59.379 57.770 1.609 1 1 213 . 3 1 1 A 22 22 ARG CB C 20 29.572 29.048 0.524 1 1 216 . 3 1 1 A 22 22 ARG N N 20 124.365 122.974 1.391 1 1 217 . 3 1 1 A 23 23 ALA H H 21 8.120 7.625 0.495 1 1 218 . 3 1 1 A 23 23 ALA HA H 21 4.060 4.044 0.016 1 1 222 . 3 1 1 A 23 23 ALA C C 21 178.000 177.667 0.333 1 1 223 . 3 1 1 A 23 23 ALA CA C 21 54.100 53.822 0.278 1 1 224 . 3 1 1 A 23 23 ALA CB C 21 18.713 18.248 0.465 1 1 225 . 3 1 1 A 23 23 ALA N N 21 117.156 121.164 -4.008 1 1 226 . 3 1 1 A 24 24 ASN H H 22 7.717 7.653 0.064 1 1 227 . 3 1 1 A 24 24 ASN HA H 22 5.010 4.763 0.247 1 1 232 . 3 1 1 A 24 24 ASN C C 22 174.938 174.720 0.218 1 1 233 . 3 1 1 A 24 24 ASN CA C 22 52.869 52.428 0.441 1 1 234 . 3 1 1 A 24 24 ASN CB C 22 40.573 38.865 1.708 1 1 235 . 3 1 1 A 24 24 ASN N N 22 112.819 115.252 -2.433 1 1 237 . 3 1 1 A 25 25 VAL H H 23 7.489 7.825 -0.336 1 1 238 . 3 1 1 A 25 25 VAL HA H 23 4.888 4.374 0.514 1 1 246 . 3 1 1 A 25 25 VAL C C 23 175.829 175.403 0.426 1 1 247 . 3 1 1 A 25 25 VAL CA C 23 59.870 59.834 0.036 1 1 248 . 3 1 1 A 25 25 VAL CB C 23 35.396 33.937 1.459 1 1 251 . 3 1 1 A 25 25 VAL N N 23 119.721 117.558 2.163 1 1 252 . 3 1 1 A 26 26 LYS H H 24 9.479 9.474 0.005 1 1 253 . 3 1 1 A 26 26 LYS HA H 24 4.353 4.330 0.023 1 1 262 . 3 1 1 A 26 26 LYS C C 24 176.606 176.523 0.083 1 1 263 . 3 1 1 A 26 26 LYS CA C 24 58.977 57.270 1.707 1 1 264 . 3 1 1 A 26 26 LYS CB C 24 34.567 33.153 1.414 1 1 268 . 3 1 1 A 26 26 LYS N N 24 127.843 121.844 5.999 1 1 269 . 3 1 1 A 27 27 HIS H H 25 7.237 7.534 -0.297 1 1 270 . 3 1 1 A 27 27 HIS HA H 25 4.979 4.841 0.138 1 1 275 . 3 1 1 A 27 27 HIS C C 25 178.434 172.569 5.865 1 1 276 . 3 1 1 A 27 27 HIS CA C 25 55.406 54.860 0.546 1 1 277 . 3 1 1 A 27 27 HIS CB C 25 32.480 31.455 1.025 1 1 280 . 3 1 1 A 27 27 HIS N N 25 109.556 113.715 -4.159 1 1 281 . 3 1 1 A 28 28 LEU H H 26 8.189 8.723 -0.534 1 1 282 . 3 1 1 A 28 28 LEU HA H 26 5.190 5.180 0.010 1 1 292 . 3 1 1 A 28 28 LEU C C 26 175.510 175.654 -0.144 1 1 293 . 3 1 1 A 28 28 LEU CA C 26 53.480 53.796 -0.316 1 1 294 . 3 1 1 A 28 28 LEU CB C 26 45.235 46.087 -0.852 1 1 298 . 3 1 1 A 28 28 LEU N N 26 117.260 119.391 -2.131 1 1 299 . 3 1 1 A 29 29 LYS H H 27 9.572 9.020 0.552 1 1 300 . 3 1 1 A 29 29 LYS HA H 27 5.372 5.094 0.278 1 1 309 . 3 1 1 A 29 29 LYS C C 27 174.801 174.515 0.286 1 1 310 . 3 1 1 A 29 29 LYS CA C 27 55.165 54.677 0.488 1 1 311 . 3 1 1 A 29 29 LYS CB C 27 35.253 36.187 -0.934 1 1 315 . 3 1 1 A 29 29 LYS N N 27 123.488 118.064 5.424 1 1 316 . 3 1 1 A 30 30 ILE H H 28 9.136 8.974 0.162 1 1 317 . 3 1 1 A 30 30 ILE HA H 28 4.926 4.915 0.011 1 1 327 . 3 1 1 A 30 30 ILE C C 28 176.949 175.408 1.541 1 1 328 . 3 1 1 A 30 30 ILE CA C 28 60.542 59.499 1.043 1 1 329 . 3 1 1 A 30 30 ILE CB C 28 39.600 39.559 0.041 1 1 333 . 3 1 1 A 30 30 ILE N N 28 123.846 124.976 -1.130 1 1 334 . 3 1 1 A 31 31 LEU H H 29 8.830 9.036 -0.206 1 1 335 . 3 1 1 A 31 31 LEU HA H 29 4.535 5.100 -0.565 1 1 344 . 3 1 1 A 31 31 LEU C C 29 176.012 174.903 1.109 1 1 345 . 3 1 1 A 31 31 LEU CA C 29 55.366 53.073 2.293 1 1 346 . 3 1 1 A 31 31 LEU CB C 29 43.180 45.394 -2.214 1 1 349 . 3 1 1 A 31 31 LEU N N 29 128.649 125.380 3.269 1 1 350 . 3 1 1 A 32 32 ASN H H 30 8.216 8.998 -0.782 1 1 351 . 3 1 1 A 32 32 ASN HA H 30 5.013 5.609 -0.596 1 1 356 . 3 1 1 A 32 32 ASN C C 30 174.664 174.085 0.579 1 1 357 . 3 1 1 A 32 32 ASN CA C 30 52.517 51.926 0.591 1 1 358 . 3 1 1 A 32 32 ASN CB C 30 38.776 39.563 -0.787 1 1 359 . 3 1 1 A 32 32 ASN N N 30 120.791 121.907 -1.116 1 1 361 . 3 1 1 A 33 33 THR H H 31 7.883 8.787 -0.904 1 1 362 . 3 1 1 A 33 33 THR HA H 31 4.842 4.726 0.116 1 1 367 . 3 1 1 A 33 33 THR CA C 31 58.369 59.284 -0.915 1 1 368 . 3 1 1 A 33 33 THR CB C 31 70.018 70.249 -0.231 1 1 370 . 3 1 1 A 33 33 THR N N 31 115.811 120.438 -4.627 1 1 371 . 3 1 1 A 34 34 PRO HA H 32 4.317 4.375 -0.058 1 1 378 . 3 1 1 A 34 34 PRO CA C 32 65.164 62.696 2.468 1 1 379 . 3 1 1 A 34 34 PRO CB C 32 32.484 30.364 2.120 1 1 382 . 3 1 1 A 35 35 ASN H H 33 8.254 8.451 -0.197 1 1 383 . 3 1 1 A 35 35 ASN HA H 33 4.651 4.996 -0.345 1 1 388 . 3 1 1 A 35 35 ASN C C 33 174.710 174.480 0.230 1 1 389 . 3 1 1 A 35 35 ASN CA C 33 54.532 53.873 0.659 1 1 390 . 3 1 1 A 35 35 ASN CB C 33 39.167 41.116 -1.949 1 1 391 . 3 1 1 A 35 35 ASN N N 33 120.081 120.860 -0.779 1 1 393 . 3 1 1 A 36 36 CYS H H 34 7.548 8.232 -0.684 1 1 394 . 3 1 1 A 36 36 CYS HA H 34 4.694 4.999 -0.305 1 1 397 . 3 1 1 A 36 36 CYS C C 34 173.865 173.359 0.506 1 1 398 . 3 1 1 A 36 36 CYS CA C 34 55.447 54.582 0.865 1 1 399 . 3 1 1 A 36 36 CYS CB C 34 45.228 47.087 -1.859 1 1 400 . 3 1 1 A 36 36 CYS N N 34 117.076 116.679 0.397 1 1 401 . 3 1 1 A 37 37 ALA H H 35 8.472 8.860 -0.388 1 1 402 . 3 1 1 A 37 37 ALA HA H 35 4.236 4.358 -0.122 1 1 406 . 3 1 1 A 37 37 ALA C C 35 176.423 176.469 -0.046 1 1 407 . 3 1 1 A 37 37 ALA CA C 35 53.537 53.174 0.363 1 1 408 . 3 1 1 A 37 37 ALA CB C 35 19.202 18.614 0.588 1 1 409 . 3 1 1 A 37 37 ALA N N 35 125.153 125.007 0.146 1 1 410 . 3 1 1 A 38 38 CYS H H 36 8.316 8.163 0.153 1 1 411 . 3 1 1 A 38 38 CYS HA H 36 4.196 5.257 -1.061 1 1 414 . 3 1 1 A 38 38 CYS C C 36 173.705 173.650 0.055 1 1 415 . 3 1 1 A 38 38 CYS CA C 36 58.616 57.128 1.488 1 1 416 . 3 1 1 A 38 38 CYS CB C 36 45.705 30.374 15.331 1 1 417 . 3 1 1 A 38 38 CYS N N 36 118.837 115.582 3.255 1 1 418 . 3 1 1 A 39 39 GLN H H 37 8.921 8.722 0.199 1 1 419 . 3 1 1 A 39 39 GLN HA H 37 4.609 4.712 -0.103 1 1 426 . 3 1 1 A 39 39 GLN C C 37 173.636 174.278 -0.642 1 1 427 . 3 1 1 A 39 39 GLN CA C 37 54.603 54.385 0.218 1 1 428 . 3 1 1 A 39 39 GLN CB C 37 31.761 32.720 -0.959 1 1 430 . 3 1 1 A 39 39 GLN N N 37 128.567 125.507 3.060 1 1 432 . 3 1 1 A 40 40 ILE H H 38 8.893 7.994 0.899 1 1 433 . 3 1 1 A 40 40 ILE HA H 38 5.068 5.215 -0.147 1 1 443 . 3 1 1 A 40 40 ILE C C 38 174.390 175.026 -0.636 1 1 444 . 3 1 1 A 40 40 ILE CA C 38 60.582 59.820 0.762 1 1 445 . 3 1 1 A 40 40 ILE CB C 38 40.048 40.481 -0.433 1 1 449 . 3 1 1 A 40 40 ILE N N 38 123.962 121.151 2.811 1 1 450 . 3 1 1 A 41 41 VAL H H 39 9.120 9.145 -0.025 1 1 451 . 3 1 1 A 41 41 VAL HA H 39 4.845 5.023 -0.178 1 1 459 . 3 1 1 A 41 41 VAL C C 39 175.487 174.491 0.996 1 1 460 . 3 1 1 A 41 41 VAL CA C 39 59.980 60.617 -0.637 1 1 461 . 3 1 1 A 41 41 VAL CB C 39 35.868 34.553 1.315 1 1 464 . 3 1 1 A 41 41 VAL N N 39 126.354 126.586 -0.232 1 1 465 . 3 1 1 A 42 42 ALA H H 40 9.513 9.486 0.027 1 1 466 . 3 1 1 A 42 42 ALA HA H 40 5.154 5.298 -0.144 1 1 470 . 3 1 1 A 42 42 ALA C C 40 175.944 175.758 0.186 1 1 471 . 3 1 1 A 42 42 ALA CA C 40 50.591 50.028 0.563 1 1 472 . 3 1 1 A 42 42 ALA CB C 40 22.432 22.931 -0.499 1 1 473 . 3 1 1 A 42 42 ALA N N 40 128.406 128.978 -0.572 1 1 474 . 3 1 1 A 43 43 ARG H H 41 7.717 8.337 -0.620 1 1 475 . 3 1 1 A 43 43 ARG HA H 41 4.979 4.658 0.321 1 1 482 . 3 1 1 A 43 43 ARG C C 41 175.510 175.756 -0.246 1 1 483 . 3 1 1 A 43 43 ARG CA C 41 54.162 55.488 -1.326 1 1 484 . 3 1 1 A 43 43 ARG CB C 41 31.200 31.411 -0.211 1 1 487 . 3 1 1 A 43 43 ARG N N 41 121.663 121.407 0.256 1 1 488 . 3 1 1 A 44 44 LEU H H 42 9.163 8.488 0.675 1 1 489 . 3 1 1 A 44 44 LEU HA H 42 5.033 4.594 0.439 1 1 499 . 3 1 1 A 44 44 LEU C C 42 177.840 177.355 0.485 1 1 500 . 3 1 1 A 44 44 LEU CA C 42 54.724 54.433 0.291 1 1 501 . 3 1 1 A 44 44 LEU CB C 42 41.712 42.263 -0.551 1 1 505 . 3 1 1 A 44 44 LEU N N 42 129.087 124.502 4.585 1 1 506 . 3 1 1 A 45 45 LYS H H 43 8.417 9.055 -0.638 1 1 507 . 3 1 1 A 45 45 LYS HA H 43 3.950 4.253 -0.303 1 1 516 . 3 1 1 A 45 45 LYS CA C 43 59.016 55.890 3.126 1 1 517 . 3 1 1 A 45 45 LYS CB C 43 34.102 33.501 0.601 1 1 520 . 3 1 1 A 45 45 LYS N N 43 119.674 121.417 -1.743 1 1 521 . 3 1 1 A 48 48 ASN HA H 46 4.723 5.077 -0.354 1 1 526 . 3 1 1 A 48 48 ASN C C 46 175.098 174.163 0.935 1 1 527 . 3 1 1 A 48 48 ASN CA C 46 54.764 51.868 2.896 1 1 528 . 3 1 1 A 48 48 ASN CB C 46 39.265 41.215 -1.950 1 1 530 . 3 1 1 A 49 49 ARG H H 47 7.919 8.330 -0.411 1 1 531 . 3 1 1 A 49 49 ARG HA H 47 4.353 4.815 -0.462 1 1 538 . 3 1 1 A 49 49 ARG C C 47 175.601 175.257 0.344 1 1 539 . 3 1 1 A 49 49 ARG CA C 47 57.051 54.174 2.877 1 1 540 . 3 1 1 A 49 49 ARG CB C 47 32.121 31.322 0.799 1 1 543 . 3 1 1 A 49 49 ARG N N 47 119.826 117.834 1.992 1 1 544 . 3 1 1 A 50 50 GLN H H 48 8.547 8.456 0.091 1 1 545 . 3 1 1 A 50 50 GLN HA H 48 5.456 5.179 0.277 1 1 552 . 3 1 1 A 50 50 GLN C C 48 175.578 175.207 0.371 1 1 553 . 3 1 1 A 50 50 GLN CA C 48 55.125 54.120 1.005 1 1 554 . 3 1 1 A 50 50 GLN CB C 48 32.121 31.401 0.720 1 1 556 . 3 1 1 A 50 50 GLN N N 48 120.767 117.820 2.947 1 1 558 . 3 1 1 A 51 51 VAL H H 49 8.630 9.322 -0.692 1 1 559 . 3 1 1 A 51 51 VAL HA H 49 4.826 4.851 -0.025 1 1 567 . 3 1 1 A 51 51 VAL C C 49 175.258 174.924 0.334 1 1 568 . 3 1 1 A 51 51 VAL CA C 49 59.338 59.425 -0.087 1 1 569 . 3 1 1 A 51 51 VAL CB C 49 36.155 34.633 1.522 1 1 572 . 3 1 1 A 51 51 VAL N N 49 116.678 117.338 -0.660 1 1 573 . 3 1 1 A 52 52 CYS H H 50 9.100 8.540 0.560 1 1 574 . 3 1 1 A 52 52 CYS HA H 50 5.301 5.237 0.064 1 1 577 . 3 1 1 A 52 52 CYS C C 50 174.527 173.779 0.748 1 1 578 . 3 1 1 A 52 52 CYS CA C 50 58.054 55.803 2.251 1 1 579 . 3 1 1 A 52 52 CYS CB C 50 43.375 42.043 1.332 1 1 580 . 3 1 1 A 52 52 CYS N N 50 124.549 121.196 3.353 1 1 581 . 3 1 1 A 53 53 ILE H H 51 8.485 9.418 -0.933 1 1 582 . 3 1 1 A 53 53 ILE HA H 51 4.964 4.800 0.164 1 1 592 . 3 1 1 A 53 53 ILE C C 51 173.019 174.907 -1.888 1 1 593 . 3 1 1 A 53 53 ILE CA C 51 58.897 59.740 -0.843 1 1 594 . 3 1 1 A 53 53 ILE CB C 51 42.201 40.980 1.221 1 1 598 . 3 1 1 A 53 53 ILE N N 51 122.581 125.931 -3.350 1 1 599 . 3 1 1 A 54 54 ASP H H 52 7.661 8.484 -0.823 1 1 600 . 3 1 1 A 54 54 ASP HA H 52 3.642 4.505 -0.863 1 1 603 . 3 1 1 A 54 54 ASP CA C 52 51.574 51.806 -0.232 1 1 604 . 3 1 1 A 54 54 ASP CB C 52 42.515 42.001 0.514 1 1 605 . 3 1 1 A 54 54 ASP N N 52 125.772 126.401 -0.629 1 1 606 . 3 1 1 A 55 55 PRO HA H 53 4.025 4.252 -0.227 1 1 613 . 3 1 1 A 55 55 PRO C C 53 176.126 177.343 -1.217 1 1 614 . 3 1 1 A 55 55 PRO CA C 53 63.993 64.098 -0.105 1 1 615 . 3 1 1 A 55 55 PRO CB C 53 33.002 31.625 1.377 1 1 618 . 3 1 1 A 56 56 LYS H H 54 7.931 7.944 -0.013 1 1 619 . 3 1 1 A 56 56 LYS HA H 54 3.988 4.331 -0.343 1 1 628 . 3 1 1 A 56 56 LYS C C 54 177.931 176.315 1.616 1 1 629 . 3 1 1 A 56 56 LYS CA C 54 56.770 56.441 0.329 1 1 630 . 3 1 1 A 56 56 LYS CB C 54 32.023 33.309 -1.286 1 1 634 . 3 1 1 A 56 56 LYS N N 54 112.924 116.017 -3.093 1 1 635 . 3 1 1 A 57 57 LEU H H 55 7.162 6.971 0.191 1 1 636 . 3 1 1 A 57 57 LEU HA H 55 4.059 3.994 0.065 1 1 646 . 3 1 1 A 57 57 LEU C C 55 179.416 177.796 1.620 1 1 647 . 3 1 1 A 57 57 LEU CA C 55 56.088 55.302 0.786 1 1 648 . 3 1 1 A 57 57 LEU CB C 55 42.191 42.931 -0.740 1 1 652 . 3 1 1 A 57 57 LEU N N 55 120.593 122.713 -2.120 1 1 653 . 3 1 1 A 58 58 LYS H H 56 8.720 8.975 -0.255 1 1 654 . 3 1 1 A 58 58 LYS HA H 56 3.920 3.851 0.069 1 1 663 . 3 1 1 A 58 58 LYS C C 56 178.937 177.987 0.950 1 1 664 . 3 1 1 A 58 58 LYS CA C 56 60.301 59.965 0.336 1 1 665 . 3 1 1 A 58 58 LYS CB C 56 32.121 32.371 -0.250 1 1 669 . 3 1 1 A 58 58 LYS N N 56 125.479 126.040 -0.561 1 1 670 . 3 1 1 A 59 59 TRP H H 57 7.811 8.275 -0.464 1 1 671 . 3 1 1 A 59 59 TRP HA H 57 4.664 4.488 0.176 1 1 680 . 3 1 1 A 59 59 TRP C C 57 178.868 179.291 -0.423 1 1 681 . 3 1 1 A 59 59 TRP CA C 57 58.897 59.917 -1.020 1 1 682 . 3 1 1 A 59 59 TRP CB C 57 28.036 27.983 0.053 1 1 688 . 3 1 1 A 59 59 TRP N N 57 113.433 119.218 -5.785 1 1 690 . 3 1 1 A 60 60 ILE H H 58 6.467 7.509 -1.042 1 1 691 . 3 1 1 A 60 60 ILE HA H 58 3.325 3.527 -0.202 1 1 701 . 3 1 1 A 60 60 ILE C C 58 177.726 177.789 -0.063 1 1 702 . 3 1 1 A 60 60 ILE CA C 58 64.314 64.749 -0.435 1 1 703 . 3 1 1 A 60 60 ILE CB C 58 35.897 37.072 -1.175 1 1 707 . 3 1 1 A 60 60 ILE N N 58 124.379 122.354 2.025 1 1 708 . 3 1 1 A 61 61 GLN H H 59 7.624 8.534 -0.910 1 1 709 . 3 1 1 A 61 61 GLN HA H 59 3.755 3.909 -0.154 1 1 716 . 3 1 1 A 61 61 GLN C C 59 178.434 178.564 -0.130 1 1 717 . 3 1 1 A 61 61 GLN CA C 59 59.379 59.469 -0.090 1 1 718 . 3 1 1 A 61 61 GLN CB C 59 28.602 28.198 0.404 1 1 720 . 3 1 1 A 61 61 GLN N N 59 119.070 118.220 0.850 1 1 722 . 3 1 1 A 62 62 GLU H H 60 8.064 8.474 -0.410 1 1 723 . 3 1 1 A 62 62 GLU HA H 60 4.087 4.028 0.059 1 1 728 . 3 1 1 A 62 62 GLU C C 60 179.051 178.543 0.508 1 1 729 . 3 1 1 A 62 62 GLU CA C 60 59.659 59.517 0.142 1 1 730 . 3 1 1 A 62 62 GLU CB C 60 30.457 29.579 0.878 1 1 732 . 3 1 1 A 62 62 GLU N N 60 117.166 120.043 -2.877 1 1 733 . 3 1 1 A 63 63 TYR H H 61 7.924 8.194 -0.270 1 1 734 . 3 1 1 A 63 63 TYR HA H 61 4.254 4.216 0.038 1 1 741 . 3 1 1 A 63 63 TYR C C 61 178.617 177.222 1.395 1 1 742 . 3 1 1 A 63 63 TYR CA C 61 61.184 61.507 -0.323 1 1 743 . 3 1 1 A 63 63 TYR CB C 61 39.461 38.512 0.949 1 1 746 . 3 1 1 A 63 63 TYR N N 61 121.271 120.810 0.461 1 1 747 . 3 1 1 A 64 64 LEU H H 62 8.260 9.008 -0.748 1 1 748 . 3 1 1 A 64 64 LEU HA H 62 3.966 3.892 0.074 1 1 758 . 3 1 1 A 64 64 LEU C C 62 179.553 179.071 0.482 1 1 759 . 3 1 1 A 64 64 LEU CA C 62 58.014 58.126 -0.112 1 1 760 . 3 1 1 A 64 64 LEU CB C 62 42.397 41.355 1.042 1 1 764 . 3 1 1 A 64 64 LEU N N 62 116.299 120.071 -3.772 1 1 765 . 3 1 1 A 65 65 GLU H H 63 8.454 8.435 0.019 1 1 766 . 3 1 1 A 65 65 GLU HA H 63 3.854 3.915 -0.061 1 1 771 . 3 1 1 A 65 65 GLU C C 63 179.279 179.078 0.201 1 1 772 . 3 1 1 A 65 65 GLU CA C 63 60.301 59.872 0.429 1 1 773 . 3 1 1 A 65 65 GLU CB C 63 29.870 29.315 0.555 1 1 775 . 3 1 1 A 65 65 GLU N N 63 118.616 117.477 1.139 1 1 776 . 3 1 1 A 66 66 LYS H H 64 7.575 7.672 -0.097 1 1 777 . 3 1 1 A 66 66 LYS HA H 64 4.225 4.055 0.170 1 1 786 . 3 1 1 A 66 66 LYS C C 64 178.457 178.741 -0.284 1 1 787 . 3 1 1 A 66 66 LYS CA C 64 58.496 59.196 -0.700 1 1 788 . 3 1 1 A 66 66 LYS CB C 64 32.400 31.978 0.422 1 1 792 . 3 1 1 A 66 66 LYS N N 64 117.166 118.425 -1.259 1 1 793 . 3 1 1 A 67 67 CYS H H 65 7.918 8.156 -0.238 1 1 794 . 3 1 1 A 67 67 CYS HA H 65 4.526 4.079 0.447 1 1 797 . 3 1 1 A 67 67 CYS C C 65 174.893 177.363 -2.470 1 1 798 . 3 1 1 A 67 67 CYS CA C 65 56.329 62.814 -6.485 1 1 799 . 3 1 1 A 67 67 CYS CB C 65 45.235 26.489 18.746 1 1 800 . 3 1 1 A 67 67 CYS N N 65 115.330 118.178 -2.848 1 1 801 . 3 1 1 A 68 68 LEU H H 66 7.559 8.358 -0.799 1 1 802 . 3 1 1 A 68 68 LEU HA H 66 4.491 4.016 0.475 1 1 812 . 3 1 1 A 68 68 LEU C C 66 176.812 178.580 -1.768 1 1 813 . 3 1 1 A 68 68 LEU CA C 66 55.366 58.012 -2.646 1 1 814 . 3 1 1 A 68 68 LEU CB C 66 43.278 41.551 1.727 1 1 818 . 3 1 1 A 68 68 LEU N N 66 120.930 123.458 -2.528 1 1 819 . 3 1 1 A 69 69 ASN H H 67 8.265 8.413 -0.148 1 1 820 . 3 1 1 A 69 69 ASN HA H 67 4.669 4.387 0.282 1 1 825 . 3 1 1 A 69 69 ASN CA C 67 53.761 57.535 -3.774 1 1 826 . 3 1 1 A 69 69 ASN CB C 67 39.069 39.187 -0.118 1 1 827 . 3 1 1 A 69 69 ASN N N 67 120.279 116.935 3.344 1 1 852 . 3 2 2 B 4 4 GLU H H 102 8.342 7.949 0.393 1 1 853 . 3 2 2 B 4 4 GLU HA H 102 4.282 4.688 -0.406 1 1 858 . 3 2 2 B 4 4 GLU C C 102 177.132 176.558 0.574 1 1 859 . 3 2 2 B 4 4 GLU CA C 102 57.410 55.083 2.327 1 1 861 . 3 2 2 B 4 4 GLU N N 102 121.884 118.705 3.179 1 1 862 . 3 2 2 B 5 5 GLY H H 103 8.331 8.603 -0.272 1 1 863 . 3 2 2 B 5 5 GLY HA2 H 103 3.960 3.967 -0.007 1 1 864 . 3 2 2 B 5 5 GLY HA3 H 103 3.960 3.971 -0.011 1 1 865 . 3 2 2 B 5 5 GLY C C 103 174.207 174.960 -0.753 1 1 866 . 3 2 2 B 5 5 GLY CA C 103 45.731 45.464 0.267 1 1 867 . 3 2 2 B 5 5 GLY N N 103 110.055 110.747 -0.692 1 1 868 . 3 2 2 B 6 6 ILE H H 104 7.831 8.011 -0.180 1 1 869 . 3 2 2 B 6 6 ILE HA H 104 4.286 3.987 0.299 1 1 879 . 3 2 2 B 6 6 ILE C C 104 176.401 175.254 1.147 1 1 880 . 3 2 2 B 6 6 ILE CA C 104 61.558 61.604 -0.046 1 1 881 . 3 2 2 B 6 6 ILE CB C 104 39.436 37.735 1.701 1 1 885 . 3 2 2 B 6 6 ILE N N 104 119.606 122.467 -2.861 1 1 886 . 3 2 2 B 7 7 SER H H 105 8.350 8.835 -0.485 1 1 887 . 3 2 2 B 7 7 SER HA H 105 4.545 5.005 -0.460 1 1 890 . 3 2 2 B 7 7 SER C C 105 174.550 173.652 0.898 1 1 891 . 3 2 2 B 7 7 SER CA C 105 58.667 57.789 0.878 1 1 892 . 3 2 2 B 7 7 SER CB C 105 64.072 63.983 0.089 1 1 893 . 3 2 2 B 7 7 SER N N 105 119.853 124.729 -4.876 1 1 894 . 3 2 2 B 8 8 ILE H H 106 7.921 8.946 -1.025 1 1 895 . 3 2 2 B 8 8 ILE HA H 106 4.205 4.105 0.100 1 1 905 . 3 2 2 B 8 8 ILE C C 106 175.921 174.895 1.026 1 1 906 . 3 2 2 B 8 8 ILE CA C 106 61.935 60.146 1.789 1 1 907 . 3 2 2 B 8 8 ILE CB C 106 39.436 39.517 -0.081 1 1 911 . 3 2 2 B 8 8 ILE N N 106 121.730 125.797 -4.067 1 1 912 . 3 2 2 B 9 9 TYR H H 107 8.166 8.844 -0.678 1 1 913 . 3 2 2 B 9 9 TYR HA H 107 4.713 4.729 -0.016 1 1 920 . 3 2 2 B 9 9 TYR C C 107 176.058 175.516 0.542 1 1 921 . 3 2 2 B 9 9 TYR CA C 107 58.165 59.059 -0.894 1 1 922 . 3 2 2 B 9 9 TYR CB C 107 39.436 40.708 -1.272 1 1 925 . 3 2 2 B 9 9 TYR N N 107 123.598 126.063 -2.465 1 1 926 . 3 2 2 B 10 10 THR H H 108 7.961 7.630 0.331 1 1 927 . 3 2 2 B 10 10 THR HA H 108 4.433 4.447 -0.014 1 1 932 . 3 2 2 B 10 10 THR C C 108 174.459 172.946 1.513 1 1 933 . 3 2 2 B 10 10 THR CA C 108 62.061 60.297 1.764 1 1 934 . 3 2 2 B 10 10 THR CB C 108 70.608 69.737 0.871 1 1 936 . 3 2 2 B 10 10 THR N N 108 115.642 110.881 4.761 1 1 937 . 3 2 2 B 11 11 SER H H 109 8.211 8.759 -0.548 1 1 938 . 3 2 2 B 11 11 SER HA H 109 4.507 4.557 -0.050 1 1 941 . 3 2 2 B 11 11 SER C C 109 174.504 174.874 -0.370 1 1 942 . 3 2 2 B 11 11 SER CA C 109 58.919 60.095 -1.176 1 1 943 . 3 2 2 B 11 11 SER CB C 109 64.198 64.040 0.158 1 1 944 . 3 2 2 B 11 11 SER N N 109 117.260 118.989 -1.729 1 1 945 . 3 2 2 B 12 12 ASP H H 110 8.351 7.955 0.396 1 1 946 . 3 2 2 B 12 12 ASP HA H 110 4.631 4.564 0.067 1 1 949 . 3 2 2 B 12 12 ASP C C 110 176.058 176.847 -0.789 1 1 950 . 3 2 2 B 12 12 ASP CA C 110 55.022 53.635 1.387 1 1 951 . 3 2 2 B 12 12 ASP CB C 110 41.825 39.579 2.246 1 1 952 . 3 2 2 B 12 12 ASP N N 110 122.020 118.272 3.748 1 1 953 . 3 2 2 B 13 13 ASN H H 111 8.230 8.196 0.034 1 1 954 . 3 2 2 B 13 13 ASN HA H 111 4.726 4.637 0.089 1 1 957 . 3 2 2 B 13 13 ASN C C 111 175.030 174.762 0.268 1 1 958 . 3 2 2 B 13 13 ASN CA C 111 53.765 54.058 -0.293 1 1 959 . 3 2 2 B 13 13 ASN CB C 111 39.562 37.888 1.674 1 1 960 . 3 2 2 B 13 13 ASN N N 111 118.317 117.395 0.922 1 1 961 . 3 2 2 B 14 14 TYR H H 112 8.101 7.701 0.400 1 1 962 . 3 2 2 B 14 14 TYR HA H 112 4.638 4.737 -0.099 1 1 969 . 3 2 2 B 14 14 TYR C C 112 176.081 175.632 0.449 1 1 970 . 3 2 2 B 14 14 TYR CA C 112 58.793 58.316 0.477 1 1 971 . 3 2 2 B 14 14 TYR CB C 112 39.436 41.185 -1.749 1 1 974 . 3 2 2 B 14 14 TYR N N 112 120.850 119.068 1.782 1 1 975 . 3 2 2 B 15 15 THR H H 113 7.879 7.920 -0.041 1 1 976 . 3 2 2 B 15 15 THR HA H 113 4.284 4.122 0.162 1 1 981 . 3 2 2 B 15 15 THR C C 113 174.413 174.684 -0.271 1 1 982 . 3 2 2 B 15 15 THR CA C 113 62.187 63.542 -1.355 1 1 983 . 3 2 2 B 15 15 THR CB C 113 70.341 68.547 1.794 1 1 985 . 3 2 2 B 15 15 THR N N 113 116.126 115.700 0.426 1 1 986 . 3 2 2 B 16 16 GLU H H 114 8.253 8.128 0.125 1 1 987 . 3 2 2 B 16 16 GLU HA H 114 4.256 4.862 -0.606 1 1 992 . 3 2 2 B 16 16 GLU C C 114 176.766 176.090 0.676 1 1 993 . 3 2 2 B 16 16 GLU CA C 114 57.410 55.070 2.340 1 1 994 . 3 2 2 B 16 16 GLU CB C 114 30.620 32.403 -1.783 1 1 996 . 3 2 2 B 16 16 GLU N N 114 123.052 121.490 1.562 1 1 997 . 3 2 2 B 17 17 GLU H H 115 8.331 8.782 -0.451 1 1 998 . 3 2 2 B 17 17 GLU HA H 115 4.292 4.670 -0.378 1 1 1003 . 3 2 2 B 17 17 GLU C C 115 176.880 176.433 0.447 1 1 1004 . 3 2 2 B 17 17 GLU CA C 115 57.410 56.611 0.799 1 1 1005 . 3 2 2 B 17 17 GLU CB C 115 30.525 31.590 -1.065 1 1 1007 . 3 2 2 B 17 17 GLU N N 115 121.688 119.697 1.991 1 1 1008 . 3 2 2 B 18 18 MET H H 116 8.317 7.707 0.610 1 1 1009 . 3 2 2 B 18 18 MET HA H 116 4.490 4.834 -0.344 1 1 1014 . 3 2 2 B 18 18 MET C C 116 177.086 174.701 2.385 1 1 1015 . 3 2 2 B 18 18 MET CA C 116 56.279 55.399 0.880 1 1 1016 . 3 2 2 B 18 18 MET CB C 116 33.026 34.363 -1.337 1 1 1017 . 3 2 2 B 18 18 MET N N 116 121.270 117.690 3.580 1 1 1018 . 3 2 2 B 19 19 GLY H H 117 8.320 9.065 -0.745 1 1 1019 . 3 2 2 B 19 19 GLY HA2 H 117 4.054 4.162 -0.108 1 1 1020 . 3 2 2 B 19 19 GLY HA3 H 117 4.054 4.172 -0.118 1 1 1021 . 3 2 2 B 19 19 GLY C C 117 174.481 173.253 1.228 1 1 1022 . 3 2 2 B 19 19 GLY CA C 117 45.847 44.159 1.688 1 1 1023 . 3 2 2 B 19 19 GLY N N 117 110.055 113.474 -3.419 1 1 1024 . 3 2 2 B 20 20 SER H H 118 8.230 8.781 -0.551 1 1 1025 . 3 2 2 B 20 20 SER HA H 118 4.476 5.389 -0.913 1 1 1028 . 3 2 2 B 20 20 SER C C 118 175.327 173.220 2.107 1 1 1029 . 3 2 2 B 20 20 SER CA C 118 58.919 57.508 1.411 1 1 1030 . 3 2 2 B 20 20 SER CB C 118 64.575 66.631 -2.056 1 1 1031 . 3 2 2 B 20 20 SER N N 118 115.664 116.252 -0.588 1 1 1032 . 3 2 2 B 21 21 GLY H H 119 8.371 8.524 -0.153 1 1 1033 . 3 2 2 B 21 21 GLY HA2 H 119 3.951 4.410 -0.459 1 1 1034 . 3 2 2 B 21 21 GLY HA3 H 119 3.951 4.413 -0.462 1 1 1035 . 3 2 2 B 21 21 GLY C C 119 174.002 171.904 2.098 1 1 1036 . 3 2 2 B 21 21 GLY CA C 119 45.721 44.322 1.399 1 1 1037 . 3 2 2 B 21 21 GLY N N 119 110.872 109.066 1.806 1 1 1068 . 3 2 2 B 25 25 SER H H 123 8.155 8.737 -0.582 1 1 1069 . 3 2 2 B 25 25 SER HA H 123 4.404 4.528 -0.124 1 1 1072 . 3 2 2 B 25 25 SER C C 123 175.075 173.172 1.903 1 1 1073 . 3 2 2 B 25 25 SER CA C 123 59.347 57.887 1.460 1 1 1074 . 3 2 2 B 25 25 SER CB C 123 63.879 62.561 1.318 1 1 1075 . 3 2 2 B 25 25 SER N N 123 116.126 119.044 -2.918 1 1 1076 . 3 2 2 B 26 26 MET H H 124 8.221 7.647 0.574 1 1 1077 . 3 2 2 B 26 26 MET HA H 124 4.482 5.168 -0.686 1 1 1082 . 3 2 2 B 26 26 MET C C 124 176.355 174.288 2.067 1 1 1083 . 3 2 2 B 26 26 MET CA C 124 56.279 54.705 1.574 1 1 1084 . 3 2 2 B 26 26 MET CB C 124 32.900 37.293 -4.393 1 1 1086 . 3 2 2 B 26 26 MET N N 124 121.210 120.440 0.770 1 1 1087 . 3 2 2 B 27 27 LYS H H 125 8.036 8.670 -0.634 1 1 1088 . 3 2 2 B 27 27 LYS HA H 125 4.333 4.739 -0.406 1 1 1097 . 3 2 2 B 27 27 LYS C C 125 176.355 173.896 2.459 1 1 1098 . 3 2 2 B 27 27 LYS CA C 125 56.656 55.650 1.006 1 1 1099 . 3 2 2 B 27 27 LYS CB C 125 33.529 36.291 -2.762 1 1 1103 . 3 2 2 B 27 27 LYS N N 125 121.457 122.928 -1.471 1 1 1104 . 3 2 2 B 28 28 GLU H H 126 8.205 8.759 -0.554 1 1 1105 . 3 2 2 B 28 28 GLU N N 126 122.740 121.366 1.374 1 1 1106 . 3 2 2 B 29 29 PRO HA H 127 4.377 4.514 -0.137 1 1 1113 . 3 2 2 B 29 29 PRO C C 127 176.812 177.793 -0.981 1 1 1114 . 3 2 2 B 29 29 PRO CA C 127 63.821 63.224 0.597 1 1 1115 . 3 2 2 B 29 29 PRO CB C 127 32.272 32.062 0.210 1 1 1118 . 3 2 2 B 30 30 ALA H H 128 8.273 8.728 -0.455 1 1 1119 . 3 2 2 B 30 30 ALA HA H 128 4.287 4.086 0.201 1 1 1123 . 3 2 2 B 30 30 ALA C C 128 177.589 178.259 -0.670 1 1 1124 . 3 2 2 B 30 30 ALA CA C 128 52.873 53.799 -0.926 1 1 1125 . 3 2 2 B 30 30 ALA CB C 128 19.703 19.419 0.284 1 1 1126 . 3 2 2 B 30 30 ALA N N 128 123.577 127.598 -4.021 1 1 1127 . 3 2 2 B 31 31 PHE H H 129 8.019 8.193 -0.174 1 1 1128 . 3 2 2 B 31 31 PHE HA H 129 4.621 4.482 0.139 1 1 1135 . 3 2 2 B 31 31 PHE C C 129 175.624 175.184 0.440 1 1 1136 . 3 2 2 B 31 31 PHE CA C 129 58.039 59.776 -1.737 1 1 1137 . 3 2 2 B 31 31 PHE CB C 129 40.055 38.678 1.377 1 1 1140 . 3 2 2 B 31 31 PHE N N 129 118.994 116.711 2.283 1 1 1141 . 3 2 2 B 32 32 ARG H H 130 8.042 8.491 -0.449 1 1 1142 . 3 2 2 B 32 32 ARG HA H 130 4.332 4.312 0.020 1 1 1149 . 3 2 2 B 32 32 ARG C C 130 175.875 175.511 0.364 1 1 1150 . 3 2 2 B 32 32 ARG CA C 130 56.154 55.691 0.463 1 1 1151 . 3 2 2 B 32 32 ARG CB C 130 31.643 31.563 0.080 1 1 1154 . 3 2 2 B 32 32 ARG N N 130 122.929 121.063 1.866 1 1 1155 . 3 2 2 B 33 33 GLU H H 131 8.389 8.605 -0.216 1 1 1156 . 3 2 2 B 33 33 GLU HA H 131 4.276 4.759 -0.483 1 1 1161 . 3 2 2 B 33 33 GLU C C 131 176.766 175.523 1.243 1 1 1162 . 3 2 2 B 33 33 GLU CA C 131 57.285 56.032 1.253 1 1 1163 . 3 2 2 B 33 33 GLU CB C 131 30.512 30.575 -0.063 1 1 1165 . 3 2 2 B 33 33 GLU N N 131 122.719 121.164 1.555 1 1 1166 . 3 2 2 B 34 34 GLU H H 132 8.502 8.836 -0.334 1 1 1167 . 3 2 2 B 34 34 GLU HA H 132 4.275 4.810 -0.535 1 1 1172 . 3 2 2 B 34 34 GLU C C 132 176.560 174.657 1.903 1 1 1173 . 3 2 2 B 34 34 GLU CA C 132 57.400 55.908 1.492 1 1 1174 . 3 2 2 B 34 34 GLU CB C 132 30.526 32.528 -2.002 1 1 1176 . 3 2 2 B 34 34 GLU N N 132 122.122 124.872 -2.750 1 1 1177 . 3 2 2 B 35 35 ASN H H 133 8.362 9.058 -0.696 1 1 1178 . 3 2 2 B 35 35 ASN HA H 133 4.693 5.337 -0.644 1 1 1181 . 3 2 2 B 35 35 ASN C C 133 175.258 174.285 0.973 1 1 1182 . 3 2 2 B 35 35 ASN CA C 133 53.765 52.201 1.564 1 1 1183 . 3 2 2 B 35 35 ASN CB C 133 39.562 38.559 1.003 1 1 1184 . 3 2 2 B 35 35 ASN N N 133 119.552 124.740 -5.188 1 1 1185 . 3 2 2 B 36 36 ALA H H 134 8.155 8.166 -0.011 1 1 1186 . 3 2 2 B 36 36 ALA HA H 134 4.289 5.075 -0.786 1 1 1190 . 3 2 2 B 36 36 ALA C C 134 177.520 175.849 1.671 1 1 1191 . 3 2 2 B 36 36 ALA CA C 134 52.873 51.829 1.044 1 1 1192 . 3 2 2 B 36 36 ALA CB C 134 19.703 20.459 -0.756 1 1 1193 . 3 2 2 B 36 36 ALA N N 134 124.376 125.696 -1.320 1 1 1194 . 3 2 2 B 37 37 ASN H H 135 8.210 8.787 -0.577 1 1 1195 . 3 2 2 B 37 37 ASN HA H 135 4.694 5.129 -0.435 1 1 1198 . 3 2 2 B 37 37 ASN C C 135 175.144 173.356 1.788 1 1 1199 . 3 2 2 B 37 37 ASN CA C 135 53.640 53.595 0.045 1 1 1200 . 3 2 2 B 37 37 ASN CB C 135 39.311 39.888 -0.577 1 1 1201 . 3 2 2 B 37 37 ASN N N 135 117.103 121.022 -3.919 1 1 1202 . 3 2 2 B 38 38 PHE H H 136 7.997 9.112 -1.115 1 1 1203 . 3 2 2 B 38 38 PHE HA H 136 4.659 5.456 -0.797 1 1 1210 . 3 2 2 B 38 38 PHE C C 136 175.601 173.833 1.768 1 1 1211 . 3 2 2 B 38 38 PHE CA C 136 58.165 55.959 2.206 1 1 1212 . 3 2 2 B 38 38 PHE CB C 136 39.939 42.375 -2.436 1 1 1215 . 3 2 2 B 38 38 PHE N N 136 120.229 127.877 -7.648 1 1 1216 . 3 2 2 B 39 39 ASN H H 137 8.272 8.332 -0.060 1 1 1217 . 3 2 2 B 39 39 ASN HA H 137 4.733 5.075 -0.342 1 1 1220 . 3 2 2 B 39 39 ASN C C 137 174.047 173.683 0.364 1 1 1221 . 3 2 2 B 39 39 ASN CA C 137 53.891 52.120 1.771 1 1 1222 . 3 2 2 B 39 39 ASN CB C 137 39.688 42.036 -2.348 1 1 1223 . 3 2 2 B 39 39 ASN N N 137 120.594 123.287 -2.693 1 1 3 . 4 1 1 A 4 4 PRO HA H 2 4.509 4.727 -0.218 1 1 10 . 4 1 1 A 4 4 PRO C C 2 177.132 176.211 0.921 1 1 11 . 4 1 1 A 4 4 PRO CA C 2 63.529 62.706 0.823 1 1 12 . 4 1 1 A 4 4 PRO CB C 2 32.476 31.575 0.901 1 1 15 . 4 1 1 A 5 5 VAL H H 3 8.201 8.206 -0.005 1 1 16 . 4 1 1 A 5 5 VAL HA H 3 4.152 4.942 -0.790 1 1 24 . 4 1 1 A 5 5 VAL C C 3 176.423 174.719 1.704 1 1 25 . 4 1 1 A 5 5 VAL CA C 3 62.873 59.398 3.475 1 1 26 . 4 1 1 A 5 5 VAL CB C 3 33.455 36.123 -2.668 1 1 28 . 4 1 1 A 5 5 VAL N N 3 120.488 117.627 2.861 1 1 29 . 4 1 1 A 6 6 SER H H 4 8.276 8.777 -0.501 1 1 30 . 4 1 1 A 6 6 SER HA H 4 4.494 4.621 -0.127 1 1 33 . 4 1 1 A 6 6 SER C C 4 174.687 174.017 0.670 1 1 34 . 4 1 1 A 6 6 SER CA C 4 58.375 58.331 0.044 1 1 35 . 4 1 1 A 6 6 SER CB C 4 64.295 65.671 -1.376 1 1 36 . 4 1 1 A 6 6 SER N N 4 119.000 116.053 2.947 1 1 37 . 4 1 1 A 7 7 LEU H H 5 8.238 8.042 0.196 1 1 38 . 4 1 1 A 7 7 LEU HA H 5 4.406 3.931 0.475 1 1 44 . 4 1 1 A 7 7 LEU C C 5 177.406 175.399 2.007 1 1 45 . 4 1 1 A 7 7 LEU CA C 5 55.766 55.713 0.053 1 1 46 . 4 1 1 A 7 7 LEU CB C 5 43.132 40.688 2.444 1 1 48 . 4 1 1 A 7 7 LEU N N 5 124.704 122.160 2.544 1 1 49 . 4 1 1 A 8 8 SER H H 6 8.148 7.597 0.551 1 1 50 . 4 1 1 A 8 8 SER HA H 6 4.438 4.919 -0.481 1 1 53 . 4 1 1 A 8 8 SER C C 6 174.321 172.576 1.745 1 1 54 . 4 1 1 A 8 8 SER CA C 6 58.718 56.806 1.912 1 1 55 . 4 1 1 A 8 8 SER CB C 6 64.295 66.143 -1.848 1 1 56 . 4 1 1 A 8 8 SER N N 6 115.960 111.814 4.146 1 1 57 . 4 1 1 A 9 9 TYR H H 7 7.954 8.794 -0.840 1 1 58 . 4 1 1 A 9 9 TYR HA H 7 4.585 4.756 -0.171 1 1 65 . 4 1 1 A 9 9 TYR C C 7 175.532 175.707 -0.175 1 1 66 . 4 1 1 A 9 9 TYR CA C 7 58.335 57.116 1.219 1 1 67 . 4 1 1 A 9 9 TYR CB C 7 39.474 37.015 2.459 1 1 70 . 4 1 1 A 9 9 TYR N N 7 121.884 120.827 1.057 1 1 71 . 4 1 1 A 10 10 ARG H H 8 8.117 8.106 0.011 1 1 72 . 4 1 1 A 10 10 ARG HA H 8 4.349 4.947 -0.598 1 1 79 . 4 1 1 A 10 10 ARG C C 8 175.898 174.573 1.325 1 1 80 . 4 1 1 A 10 10 ARG CA C 8 56.048 54.053 1.995 1 1 81 . 4 1 1 A 10 10 ARG CB C 8 31.492 34.169 -2.677 1 1 84 . 4 1 1 A 10 10 ARG N N 8 121.977 121.797 0.180 1 1 85 . 4 1 1 A 11 11 CYS H H 9 8.127 8.692 -0.565 1 1 86 . 4 1 1 A 11 11 CYS HA H 9 4.984 5.036 -0.052 1 1 89 . 4 1 1 A 11 11 CYS C C 9 177.771 173.985 3.786 1 1 90 . 4 1 1 A 11 11 CYS CA C 9 53.192 54.579 -1.387 1 1 91 . 4 1 1 A 11 11 CYS CB C 9 40.897 43.965 -3.068 1 1 92 . 4 1 1 A 11 11 CYS N N 9 121.209 119.894 1.315 1 1 93 . 4 1 1 A 12 12 PRO HA H 10 4.321 4.392 -0.071 1 1 100 . 4 1 1 A 12 12 PRO CA C 10 65.478 64.267 1.211 1 1 101 . 4 1 1 A 12 12 PRO CB C 10 32.904 31.898 1.006 1 1 104 . 4 1 1 A 13 13 CYS H H 11 8.633 7.624 1.009 1 1 105 . 4 1 1 A 13 13 CYS C C 11 174.618 173.238 1.380 1 1 106 . 4 1 1 A 13 13 CYS N N 11 114.595 115.507 -0.912 1 1 107 . 4 1 1 A 14 14 ARG H H 12 8.236 8.582 -0.346 1 1 108 . 4 1 1 A 14 14 ARG HA H 12 4.067 4.239 -0.172 1 1 115 . 4 1 1 A 14 14 ARG C C 12 175.098 176.003 -0.905 1 1 116 . 4 1 1 A 14 14 ARG CA C 12 57.370 57.661 -0.291 1 1 117 . 4 1 1 A 14 14 ARG CB C 12 31.631 30.570 1.061 1 1 120 . 4 1 1 A 14 14 ARG N N 12 122.779 124.846 -2.067 1 1 121 . 4 1 1 A 15 15 PHE H H 13 7.615 8.026 -0.411 1 1 122 . 4 1 1 A 15 15 PHE HA H 13 4.510 4.428 0.082 1 1 129 . 4 1 1 A 15 15 PHE C C 13 174.162 174.554 -0.392 1 1 130 . 4 1 1 A 15 15 PHE CA C 13 56.289 55.861 0.428 1 1 131 . 4 1 1 A 15 15 PHE CB C 13 41.320 41.040 0.280 1 1 134 . 4 1 1 A 15 15 PHE N N 13 116.797 115.612 1.185 1 1 135 . 4 1 1 A 16 16 PHE H H 14 8.125 7.980 0.145 1 1 136 . 4 1 1 A 16 16 PHE HA H 14 4.767 5.592 -0.825 1 1 143 . 4 1 1 A 16 16 PHE C C 14 175.441 174.824 0.617 1 1 144 . 4 1 1 A 16 16 PHE CA C 14 55.767 55.464 0.303 1 1 145 . 4 1 1 A 16 16 PHE CB C 14 41.320 41.695 -0.375 1 1 148 . 4 1 1 A 16 16 PHE N N 14 118.930 119.543 -0.613 1 1 149 . 4 1 1 A 17 17 GLU H H 15 8.836 9.393 -0.557 1 1 150 . 4 1 1 A 17 17 GLU HA H 15 4.579 4.481 0.098 1 1 155 . 4 1 1 A 17 17 GLU C C 15 176.857 177.565 -0.708 1 1 156 . 4 1 1 A 17 17 GLU CA C 15 56.289 57.039 -0.750 1 1 157 . 4 1 1 A 17 17 GLU CB C 15 31.173 29.958 1.215 1 1 159 . 4 1 1 A 17 17 GLU N N 15 122.929 122.970 -0.041 1 1 160 . 4 1 1 A 18 18 SER H H 16 8.751 8.939 -0.188 1 1 161 . 4 1 1 A 18 18 SER HA H 16 4.762 4.566 0.196 1 1 164 . 4 1 1 A 18 18 SER C C 16 177.497 174.829 2.668 1 1 165 . 4 1 1 A 18 18 SER CA C 16 59.328 59.447 -0.119 1 1 166 . 4 1 1 A 18 18 SER CB C 16 64.515 64.320 0.195 1 1 167 . 4 1 1 A 18 18 SER N N 16 118.860 118.110 0.750 1 1 168 . 4 1 1 A 19 19 HIS H H 17 8.761 7.988 0.773 1 1 169 . 4 1 1 A 19 19 HIS HA H 17 4.859 4.716 0.143 1 1 174 . 4 1 1 A 19 19 HIS C C 17 174.618 174.020 0.598 1 1 175 . 4 1 1 A 19 19 HIS CA C 17 56.449 54.594 1.855 1 1 176 . 4 1 1 A 19 19 HIS CB C 17 29.870 27.479 2.391 1 1 179 . 4 1 1 A 19 19 HIS N N 17 120.535 119.787 0.748 1 1 180 . 4 1 1 A 20 20 VAL H H 18 7.157 8.283 -1.126 1 1 181 . 4 1 1 A 20 20 VAL HA H 18 4.181 4.894 -0.713 1 1 189 . 4 1 1 A 20 20 VAL C C 18 174.436 173.961 0.475 1 1 190 . 4 1 1 A 20 20 VAL CA C 18 62.167 59.960 2.207 1 1 191 . 4 1 1 A 20 20 VAL CB C 18 34.426 34.902 -0.476 1 1 193 . 4 1 1 A 20 20 VAL N N 18 120.872 122.534 -1.662 1 1 194 . 4 1 1 A 21 21 ALA H H 19 8.521 8.672 -0.151 1 1 195 . 4 1 1 A 21 21 ALA HA H 19 4.372 4.242 0.130 1 1 199 . 4 1 1 A 21 21 ALA C C 19 177.657 178.159 -0.502 1 1 200 . 4 1 1 A 21 21 ALA CA C 19 51.193 51.617 -0.424 1 1 201 . 4 1 1 A 21 21 ALA CB C 19 19.790 19.340 0.450 1 1 202 . 4 1 1 A 21 21 ALA N N 19 131.339 130.066 1.273 1 1 203 . 4 1 1 A 22 22 ARG H H 20 7.790 8.013 -0.223 1 1 204 . 4 1 1 A 22 22 ARG HA H 20 2.445 3.407 -0.962 1 1 211 . 4 1 1 A 22 22 ARG C C 20 178.365 177.548 0.817 1 1 212 . 4 1 1 A 22 22 ARG CA C 20 59.379 57.819 1.560 1 1 213 . 4 1 1 A 22 22 ARG CB C 20 29.572 29.001 0.571 1 1 216 . 4 1 1 A 22 22 ARG N N 20 124.365 122.785 1.580 1 1 217 . 4 1 1 A 23 23 ALA H H 21 8.120 7.473 0.647 1 1 218 . 4 1 1 A 23 23 ALA HA H 21 4.060 4.102 -0.042 1 1 222 . 4 1 1 A 23 23 ALA C C 21 178.000 177.752 0.248 1 1 223 . 4 1 1 A 23 23 ALA CA C 21 54.100 53.814 0.286 1 1 224 . 4 1 1 A 23 23 ALA CB C 21 18.713 18.272 0.441 1 1 225 . 4 1 1 A 23 23 ALA N N 21 117.156 122.236 -5.080 1 1 226 . 4 1 1 A 24 24 ASN H H 22 7.717 7.735 -0.018 1 1 227 . 4 1 1 A 24 24 ASN HA H 22 5.010 4.869 0.141 1 1 232 . 4 1 1 A 24 24 ASN C C 22 174.938 174.746 0.192 1 1 233 . 4 1 1 A 24 24 ASN CA C 22 52.869 52.518 0.351 1 1 234 . 4 1 1 A 24 24 ASN CB C 22 40.573 38.890 1.683 1 1 235 . 4 1 1 A 24 24 ASN N N 22 112.819 115.175 -2.356 1 1 237 . 4 1 1 A 25 25 VAL H H 23 7.489 7.342 0.147 1 1 238 . 4 1 1 A 25 25 VAL HA H 23 4.888 4.340 0.548 1 1 246 . 4 1 1 A 25 25 VAL C C 23 175.829 175.468 0.361 1 1 247 . 4 1 1 A 25 25 VAL CA C 23 59.870 59.892 -0.022 1 1 248 . 4 1 1 A 25 25 VAL CB C 23 35.396 33.518 1.878 1 1 251 . 4 1 1 A 25 25 VAL N N 23 119.721 117.631 2.090 1 1 252 . 4 1 1 A 26 26 LYS H H 24 9.479 9.401 0.078 1 1 253 . 4 1 1 A 26 26 LYS HA H 24 4.353 4.455 -0.102 1 1 262 . 4 1 1 A 26 26 LYS C C 24 176.606 176.442 0.164 1 1 263 . 4 1 1 A 26 26 LYS CA C 24 58.977 57.159 1.818 1 1 264 . 4 1 1 A 26 26 LYS CB C 24 34.567 33.430 1.137 1 1 268 . 4 1 1 A 26 26 LYS N N 24 127.843 122.057 5.786 1 1 269 . 4 1 1 A 27 27 HIS H H 25 7.237 7.585 -0.348 1 1 270 . 4 1 1 A 27 27 HIS HA H 25 4.979 5.025 -0.046 1 1 275 . 4 1 1 A 27 27 HIS C C 25 178.434 172.438 5.996 1 1 276 . 4 1 1 A 27 27 HIS CA C 25 55.406 54.555 0.851 1 1 277 . 4 1 1 A 27 27 HIS CB C 25 32.480 31.404 1.076 1 1 280 . 4 1 1 A 27 27 HIS N N 25 109.556 114.318 -4.762 1 1 281 . 4 1 1 A 28 28 LEU H H 26 8.189 8.806 -0.617 1 1 282 . 4 1 1 A 28 28 LEU HA H 26 5.190 5.221 -0.031 1 1 292 . 4 1 1 A 28 28 LEU C C 26 175.510 175.446 0.064 1 1 293 . 4 1 1 A 28 28 LEU CA C 26 53.480 53.515 -0.035 1 1 294 . 4 1 1 A 28 28 LEU CB C 26 45.235 45.296 -0.061 1 1 298 . 4 1 1 A 28 28 LEU N N 26 117.260 119.809 -2.549 1 1 299 . 4 1 1 A 29 29 LYS H H 27 9.572 8.991 0.581 1 1 300 . 4 1 1 A 29 29 LYS HA H 27 5.372 5.223 0.149 1 1 309 . 4 1 1 A 29 29 LYS C C 27 174.801 174.412 0.389 1 1 310 . 4 1 1 A 29 29 LYS CA C 27 55.165 54.868 0.297 1 1 311 . 4 1 1 A 29 29 LYS CB C 27 35.253 35.642 -0.389 1 1 315 . 4 1 1 A 29 29 LYS N N 27 123.488 123.011 0.477 1 1 316 . 4 1 1 A 30 30 ILE H H 28 9.136 9.104 0.032 1 1 317 . 4 1 1 A 30 30 ILE HA H 28 4.926 4.957 -0.031 1 1 327 . 4 1 1 A 30 30 ILE C C 28 176.949 175.412 1.537 1 1 328 . 4 1 1 A 30 30 ILE CA C 28 60.542 59.551 0.991 1 1 329 . 4 1 1 A 30 30 ILE CB C 28 39.600 39.605 -0.005 1 1 333 . 4 1 1 A 30 30 ILE N N 28 123.846 127.848 -4.002 1 1 334 . 4 1 1 A 31 31 LEU H H 29 8.830 9.004 -0.174 1 1 335 . 4 1 1 A 31 31 LEU HA H 29 4.535 4.915 -0.380 1 1 344 . 4 1 1 A 31 31 LEU C C 29 176.012 175.077 0.935 1 1 345 . 4 1 1 A 31 31 LEU CA C 29 55.366 54.025 1.341 1 1 346 . 4 1 1 A 31 31 LEU CB C 29 43.180 44.618 -1.438 1 1 349 . 4 1 1 A 31 31 LEU N N 29 128.649 126.470 2.179 1 1 350 . 4 1 1 A 32 32 ASN H H 30 8.216 8.965 -0.749 1 1 351 . 4 1 1 A 32 32 ASN HA H 30 5.013 5.217 -0.204 1 1 356 . 4 1 1 A 32 32 ASN C C 30 174.664 174.217 0.447 1 1 357 . 4 1 1 A 32 32 ASN CA C 30 52.517 52.175 0.342 1 1 358 . 4 1 1 A 32 32 ASN CB C 30 38.776 40.308 -1.532 1 1 359 . 4 1 1 A 32 32 ASN N N 30 120.791 123.802 -3.011 1 1 361 . 4 1 1 A 33 33 THR H H 31 7.883 8.574 -0.691 1 1 362 . 4 1 1 A 33 33 THR HA H 31 4.842 4.739 0.103 1 1 367 . 4 1 1 A 33 33 THR CA C 31 58.369 59.335 -0.966 1 1 368 . 4 1 1 A 33 33 THR CB C 31 70.018 70.917 -0.899 1 1 370 . 4 1 1 A 33 33 THR N N 31 115.811 121.611 -5.800 1 1 371 . 4 1 1 A 34 34 PRO HA H 32 4.317 4.388 -0.071 1 1 378 . 4 1 1 A 34 34 PRO CA C 32 65.164 63.987 1.177 1 1 379 . 4 1 1 A 34 34 PRO CB C 32 32.484 31.502 0.982 1 1 382 . 4 1 1 A 35 35 ASN H H 33 8.254 8.986 -0.732 1 1 383 . 4 1 1 A 35 35 ASN HA H 33 4.651 4.343 0.308 1 1 388 . 4 1 1 A 35 35 ASN C C 33 174.710 173.904 0.806 1 1 389 . 4 1 1 A 35 35 ASN CA C 33 54.532 54.820 -0.288 1 1 390 . 4 1 1 A 35 35 ASN CB C 33 39.167 37.734 1.433 1 1 391 . 4 1 1 A 35 35 ASN N N 33 120.081 120.073 0.008 1 1 393 . 4 1 1 A 36 36 CYS H H 34 7.548 7.777 -0.229 1 1 394 . 4 1 1 A 36 36 CYS HA H 34 4.694 5.068 -0.374 1 1 397 . 4 1 1 A 36 36 CYS C C 34 173.865 173.521 0.344 1 1 398 . 4 1 1 A 36 36 CYS CA C 34 55.447 54.705 0.742 1 1 399 . 4 1 1 A 36 36 CYS CB C 34 45.228 46.953 -1.725 1 1 400 . 4 1 1 A 36 36 CYS N N 34 117.076 117.355 -0.279 1 1 401 . 4 1 1 A 37 37 ALA H H 35 8.472 8.496 -0.024 1 1 402 . 4 1 1 A 37 37 ALA HA H 35 4.236 4.379 -0.143 1 1 406 . 4 1 1 A 37 37 ALA C C 35 176.423 177.000 -0.577 1 1 407 . 4 1 1 A 37 37 ALA CA C 35 53.537 51.874 1.663 1 1 408 . 4 1 1 A 37 37 ALA CB C 35 19.202 19.978 -0.776 1 1 409 . 4 1 1 A 37 37 ALA N N 35 125.153 124.900 0.253 1 1 410 . 4 1 1 A 38 38 CYS H H 36 8.316 8.468 -0.152 1 1 411 . 4 1 1 A 38 38 CYS HA H 36 4.196 4.550 -0.354 1 1 414 . 4 1 1 A 38 38 CYS C C 36 173.705 174.675 -0.970 1 1 415 . 4 1 1 A 38 38 CYS CA C 36 58.616 58.544 0.072 1 1 416 . 4 1 1 A 38 38 CYS CB C 36 45.705 28.718 16.987 1 1 417 . 4 1 1 A 38 38 CYS N N 36 118.837 117.719 1.118 1 1 418 . 4 1 1 A 39 39 GLN H H 37 8.921 8.313 0.608 1 1 419 . 4 1 1 A 39 39 GLN HA H 37 4.609 4.983 -0.374 1 1 426 . 4 1 1 A 39 39 GLN C C 37 173.636 174.148 -0.512 1 1 427 . 4 1 1 A 39 39 GLN CA C 37 54.603 54.496 0.107 1 1 428 . 4 1 1 A 39 39 GLN CB C 37 31.761 32.819 -1.058 1 1 430 . 4 1 1 A 39 39 GLN N N 37 128.567 124.396 4.171 1 1 432 . 4 1 1 A 40 40 ILE H H 38 8.893 8.521 0.372 1 1 433 . 4 1 1 A 40 40 ILE HA H 38 5.068 4.804 0.264 1 1 443 . 4 1 1 A 40 40 ILE C C 38 174.390 175.313 -0.923 1 1 444 . 4 1 1 A 40 40 ILE CA C 38 60.582 60.004 0.578 1 1 445 . 4 1 1 A 40 40 ILE CB C 38 40.048 39.718 0.330 1 1 449 . 4 1 1 A 40 40 ILE N N 38 123.962 123.892 0.070 1 1 450 . 4 1 1 A 41 41 VAL H H 39 9.120 9.326 -0.206 1 1 451 . 4 1 1 A 41 41 VAL HA H 39 4.845 4.867 -0.022 1 1 459 . 4 1 1 A 41 41 VAL C C 39 175.487 174.302 1.185 1 1 460 . 4 1 1 A 41 41 VAL CA C 39 59.980 60.637 -0.657 1 1 461 . 4 1 1 A 41 41 VAL CB C 39 35.868 34.755 1.113 1 1 464 . 4 1 1 A 41 41 VAL N N 39 126.354 127.007 -0.653 1 1 465 . 4 1 1 A 42 42 ALA H H 40 9.513 9.375 0.138 1 1 466 . 4 1 1 A 42 42 ALA HA H 40 5.154 5.227 -0.073 1 1 470 . 4 1 1 A 42 42 ALA C C 40 175.944 175.569 0.375 1 1 471 . 4 1 1 A 42 42 ALA CA C 40 50.591 50.057 0.534 1 1 472 . 4 1 1 A 42 42 ALA CB C 40 22.432 23.143 -0.711 1 1 473 . 4 1 1 A 42 42 ALA N N 40 128.406 128.899 -0.493 1 1 474 . 4 1 1 A 43 43 ARG H H 41 7.717 7.870 -0.153 1 1 475 . 4 1 1 A 43 43 ARG HA H 41 4.979 4.743 0.236 1 1 482 . 4 1 1 A 43 43 ARG C C 41 175.510 175.667 -0.157 1 1 483 . 4 1 1 A 43 43 ARG CA C 41 54.162 55.250 -1.088 1 1 484 . 4 1 1 A 43 43 ARG CB C 41 31.200 31.905 -0.705 1 1 487 . 4 1 1 A 43 43 ARG N N 41 121.663 121.308 0.355 1 1 488 . 4 1 1 A 44 44 LEU H H 42 9.163 8.749 0.414 1 1 489 . 4 1 1 A 44 44 LEU HA H 42 5.033 4.761 0.272 1 1 499 . 4 1 1 A 44 44 LEU C C 42 177.840 178.146 -0.306 1 1 500 . 4 1 1 A 44 44 LEU CA C 42 54.724 54.318 0.406 1 1 501 . 4 1 1 A 44 44 LEU CB C 42 41.712 42.063 -0.351 1 1 505 . 4 1 1 A 44 44 LEU N N 42 129.087 125.696 3.391 1 1 506 . 4 1 1 A 45 45 LYS H H 43 8.417 8.678 -0.261 1 1 507 . 4 1 1 A 45 45 LYS HA H 43 3.950 4.246 -0.296 1 1 516 . 4 1 1 A 45 45 LYS CA C 43 59.016 58.591 0.425 1 1 517 . 4 1 1 A 45 45 LYS CB C 43 34.102 32.829 1.273 1 1 520 . 4 1 1 A 45 45 LYS N N 43 119.674 121.748 -2.074 1 1 521 . 4 1 1 A 48 48 ASN HA H 46 4.723 4.924 -0.201 1 1 526 . 4 1 1 A 48 48 ASN C C 46 175.098 175.226 -0.128 1 1 527 . 4 1 1 A 48 48 ASN CA C 46 54.764 54.112 0.652 1 1 528 . 4 1 1 A 48 48 ASN CB C 46 39.265 41.226 -1.961 1 1 530 . 4 1 1 A 49 49 ARG H H 47 7.919 7.795 0.124 1 1 531 . 4 1 1 A 49 49 ARG HA H 47 4.353 4.600 -0.247 1 1 538 . 4 1 1 A 49 49 ARG C C 47 175.601 173.909 1.692 1 1 539 . 4 1 1 A 49 49 ARG CA C 47 57.051 55.091 1.960 1 1 540 . 4 1 1 A 49 49 ARG CB C 47 32.121 30.770 1.351 1 1 543 . 4 1 1 A 49 49 ARG N N 47 119.826 113.768 6.058 1 1 544 . 4 1 1 A 50 50 GLN H H 48 8.547 8.579 -0.032 1 1 545 . 4 1 1 A 50 50 GLN HA H 48 5.456 4.888 0.568 1 1 552 . 4 1 1 A 50 50 GLN C C 48 175.578 175.367 0.211 1 1 553 . 4 1 1 A 50 50 GLN CA C 48 55.125 55.012 0.113 1 1 554 . 4 1 1 A 50 50 GLN CB C 48 32.121 30.534 1.587 1 1 556 . 4 1 1 A 50 50 GLN N N 48 120.767 117.720 3.047 1 1 558 . 4 1 1 A 51 51 VAL H H 49 8.630 9.127 -0.497 1 1 559 . 4 1 1 A 51 51 VAL HA H 49 4.826 4.908 -0.082 1 1 567 . 4 1 1 A 51 51 VAL C C 49 175.258 174.303 0.955 1 1 568 . 4 1 1 A 51 51 VAL CA C 49 59.338 59.243 0.095 1 1 569 . 4 1 1 A 51 51 VAL CB C 49 36.155 35.000 1.155 1 1 572 . 4 1 1 A 51 51 VAL N N 49 116.678 117.204 -0.526 1 1 573 . 4 1 1 A 52 52 CYS H H 50 9.100 8.826 0.274 1 1 574 . 4 1 1 A 52 52 CYS HA H 50 5.301 5.306 -0.005 1 1 577 . 4 1 1 A 52 52 CYS C C 50 174.527 173.269 1.258 1 1 578 . 4 1 1 A 52 52 CYS CA C 50 58.054 54.799 3.255 1 1 579 . 4 1 1 A 52 52 CYS CB C 50 43.375 43.508 -0.133 1 1 580 . 4 1 1 A 52 52 CYS N N 50 124.549 119.866 4.683 1 1 581 . 4 1 1 A 53 53 ILE H H 51 8.485 9.654 -1.169 1 1 582 . 4 1 1 A 53 53 ILE HA H 51 4.964 4.695 0.269 1 1 592 . 4 1 1 A 53 53 ILE C C 51 173.019 175.251 -2.232 1 1 593 . 4 1 1 A 53 53 ILE CA C 51 58.897 60.164 -1.267 1 1 594 . 4 1 1 A 53 53 ILE CB C 51 42.201 40.481 1.720 1 1 598 . 4 1 1 A 53 53 ILE N N 51 122.581 126.117 -3.536 1 1 599 . 4 1 1 A 54 54 ASP H H 52 7.661 8.026 -0.365 1 1 600 . 4 1 1 A 54 54 ASP HA H 52 3.642 4.541 -0.899 1 1 603 . 4 1 1 A 54 54 ASP CA C 52 51.574 52.013 -0.439 1 1 604 . 4 1 1 A 54 54 ASP CB C 52 42.515 42.084 0.431 1 1 605 . 4 1 1 A 54 54 ASP N N 52 125.772 127.232 -1.460 1 1 606 . 4 1 1 A 55 55 PRO HA H 53 4.025 4.383 -0.358 1 1 613 . 4 1 1 A 55 55 PRO C C 53 176.126 176.979 -0.853 1 1 614 . 4 1 1 A 55 55 PRO CA C 53 63.993 63.995 -0.002 1 1 615 . 4 1 1 A 55 55 PRO CB C 53 33.002 31.551 1.451 1 1 618 . 4 1 1 A 56 56 LYS H H 54 7.931 8.257 -0.326 1 1 619 . 4 1 1 A 56 56 LYS HA H 54 3.988 5.021 -1.033 1 1 628 . 4 1 1 A 56 56 LYS C C 54 177.931 176.480 1.451 1 1 629 . 4 1 1 A 56 56 LYS CA C 54 56.770 55.333 1.437 1 1 630 . 4 1 1 A 56 56 LYS CB C 54 32.023 32.729 -0.706 1 1 634 . 4 1 1 A 56 56 LYS N N 54 112.924 115.039 -2.115 1 1 635 . 4 1 1 A 57 57 LEU H H 55 7.162 7.422 -0.260 1 1 636 . 4 1 1 A 57 57 LEU HA H 55 4.059 4.063 -0.004 1 1 646 . 4 1 1 A 57 57 LEU C C 55 179.416 177.823 1.593 1 1 647 . 4 1 1 A 57 57 LEU CA C 55 56.088 55.100 0.988 1 1 648 . 4 1 1 A 57 57 LEU CB C 55 42.191 41.894 0.297 1 1 652 . 4 1 1 A 57 57 LEU N N 55 120.593 122.399 -1.806 1 1 653 . 4 1 1 A 58 58 LYS H H 56 8.720 8.968 -0.248 1 1 654 . 4 1 1 A 58 58 LYS HA H 56 3.920 3.815 0.105 1 1 663 . 4 1 1 A 58 58 LYS C C 56 178.937 178.093 0.844 1 1 664 . 4 1 1 A 58 58 LYS CA C 56 60.301 59.785 0.516 1 1 665 . 4 1 1 A 58 58 LYS CB C 56 32.121 32.287 -0.166 1 1 669 . 4 1 1 A 58 58 LYS N N 56 125.479 125.165 0.314 1 1 670 . 4 1 1 A 59 59 TRP H H 57 7.811 8.257 -0.446 1 1 671 . 4 1 1 A 59 59 TRP HA H 57 4.664 4.533 0.131 1 1 680 . 4 1 1 A 59 59 TRP C C 57 178.868 179.556 -0.688 1 1 681 . 4 1 1 A 59 59 TRP CA C 57 58.897 59.753 -0.856 1 1 682 . 4 1 1 A 59 59 TRP CB C 57 28.036 28.025 0.011 1 1 688 . 4 1 1 A 59 59 TRP N N 57 113.433 119.085 -5.652 1 1 690 . 4 1 1 A 60 60 ILE H H 58 6.467 7.279 -0.812 1 1 691 . 4 1 1 A 60 60 ILE HA H 58 3.325 3.458 -0.133 1 1 701 . 4 1 1 A 60 60 ILE C C 58 177.726 177.813 -0.087 1 1 702 . 4 1 1 A 60 60 ILE CA C 58 64.314 65.010 -0.696 1 1 703 . 4 1 1 A 60 60 ILE CB C 58 35.897 37.477 -1.580 1 1 707 . 4 1 1 A 60 60 ILE N N 58 124.379 122.358 2.021 1 1 708 . 4 1 1 A 61 61 GLN H H 59 7.624 8.181 -0.557 1 1 709 . 4 1 1 A 61 61 GLN HA H 59 3.755 3.898 -0.143 1 1 716 . 4 1 1 A 61 61 GLN C C 59 178.434 179.289 -0.855 1 1 717 . 4 1 1 A 61 61 GLN CA C 59 59.379 59.332 0.047 1 1 718 . 4 1 1 A 61 61 GLN CB C 59 28.602 28.266 0.336 1 1 720 . 4 1 1 A 61 61 GLN N N 59 119.070 118.347 0.723 1 1 722 . 4 1 1 A 62 62 GLU H H 60 8.064 7.967 0.097 1 1 723 . 4 1 1 A 62 62 GLU HA H 60 4.087 4.101 -0.014 1 1 728 . 4 1 1 A 62 62 GLU C C 60 179.051 178.659 0.392 1 1 729 . 4 1 1 A 62 62 GLU CA C 60 59.659 59.188 0.471 1 1 730 . 4 1 1 A 62 62 GLU CB C 60 30.457 29.565 0.892 1 1 732 . 4 1 1 A 62 62 GLU N N 60 117.166 120.430 -3.264 1 1 733 . 4 1 1 A 63 63 TYR H H 61 7.924 8.072 -0.148 1 1 734 . 4 1 1 A 63 63 TYR HA H 61 4.254 4.283 -0.029 1 1 741 . 4 1 1 A 63 63 TYR C C 61 178.617 177.686 0.931 1 1 742 . 4 1 1 A 63 63 TYR CA C 61 61.184 61.505 -0.321 1 1 743 . 4 1 1 A 63 63 TYR CB C 61 39.461 38.675 0.786 1 1 746 . 4 1 1 A 63 63 TYR N N 61 121.271 122.144 -0.873 1 1 747 . 4 1 1 A 64 64 LEU H H 62 8.260 9.245 -0.985 1 1 748 . 4 1 1 A 64 64 LEU HA H 62 3.966 3.978 -0.012 1 1 758 . 4 1 1 A 64 64 LEU C C 62 179.553 179.221 0.332 1 1 759 . 4 1 1 A 64 64 LEU CA C 62 58.014 58.349 -0.335 1 1 760 . 4 1 1 A 64 64 LEU CB C 62 42.397 41.808 0.589 1 1 764 . 4 1 1 A 64 64 LEU N N 62 116.299 120.464 -4.165 1 1 765 . 4 1 1 A 65 65 GLU H H 63 8.454 8.419 0.035 1 1 766 . 4 1 1 A 65 65 GLU HA H 63 3.854 3.940 -0.086 1 1 771 . 4 1 1 A 65 65 GLU C C 63 179.279 179.210 0.069 1 1 772 . 4 1 1 A 65 65 GLU CA C 63 60.301 59.662 0.639 1 1 773 . 4 1 1 A 65 65 GLU CB C 63 29.870 29.233 0.637 1 1 775 . 4 1 1 A 65 65 GLU N N 63 118.616 117.705 0.911 1 1 776 . 4 1 1 A 66 66 LYS H H 64 7.575 8.131 -0.556 1 1 777 . 4 1 1 A 66 66 LYS HA H 64 4.225 4.686 -0.461 1 1 786 . 4 1 1 A 66 66 LYS C C 64 178.457 178.665 -0.208 1 1 787 . 4 1 1 A 66 66 LYS CA C 64 58.496 59.221 -0.725 1 1 788 . 4 1 1 A 66 66 LYS CB C 64 32.400 31.982 0.418 1 1 792 . 4 1 1 A 66 66 LYS N N 64 117.166 118.278 -1.112 1 1 793 . 4 1 1 A 67 67 CYS H H 65 7.918 7.922 -0.004 1 1 794 . 4 1 1 A 67 67 CYS HA H 65 4.526 4.189 0.337 1 1 797 . 4 1 1 A 67 67 CYS C C 65 174.893 177.523 -2.630 1 1 798 . 4 1 1 A 67 67 CYS CA C 65 56.329 62.050 -5.721 1 1 799 . 4 1 1 A 67 67 CYS CB C 65 45.235 27.157 18.078 1 1 800 . 4 1 1 A 67 67 CYS N N 65 115.330 118.557 -3.227 1 1 801 . 4 1 1 A 68 68 LEU H H 66 7.559 8.263 -0.704 1 1 802 . 4 1 1 A 68 68 LEU HA H 66 4.491 4.058 0.433 1 1 812 . 4 1 1 A 68 68 LEU C C 66 176.812 178.115 -1.303 1 1 813 . 4 1 1 A 68 68 LEU CA C 66 55.366 58.199 -2.833 1 1 814 . 4 1 1 A 68 68 LEU CB C 66 43.278 42.251 1.027 1 1 818 . 4 1 1 A 68 68 LEU N N 66 120.930 122.613 -1.683 1 1 819 . 4 1 1 A 69 69 ASN H H 67 8.265 8.706 -0.441 1 1 820 . 4 1 1 A 69 69 ASN HA H 67 4.669 5.044 -0.375 1 1 825 . 4 1 1 A 69 69 ASN CA C 67 53.761 54.635 -0.874 1 1 826 . 4 1 1 A 69 69 ASN CB C 67 39.069 41.090 -2.021 1 1 827 . 4 1 1 A 69 69 ASN N N 67 120.279 115.787 4.492 1 1 852 . 4 2 2 B 4 4 GLU H H 102 8.342 7.641 0.701 1 1 853 . 4 2 2 B 4 4 GLU HA H 102 4.282 4.952 -0.670 1 1 858 . 4 2 2 B 4 4 GLU C C 102 177.132 175.497 1.635 1 1 859 . 4 2 2 B 4 4 GLU CA C 102 57.410 54.700 2.710 1 1 861 . 4 2 2 B 4 4 GLU N N 102 121.884 121.186 0.698 1 1 862 . 4 2 2 B 5 5 GLY H H 103 8.331 8.728 -0.397 1 1 863 . 4 2 2 B 5 5 GLY HA2 H 103 3.960 4.257 -0.297 1 1 864 . 4 2 2 B 5 5 GLY HA3 H 103 3.960 4.266 -0.306 1 1 865 . 4 2 2 B 5 5 GLY C C 103 174.207 175.148 -0.941 1 1 866 . 4 2 2 B 5 5 GLY CA C 103 45.731 45.848 -0.117 1 1 867 . 4 2 2 B 5 5 GLY N N 103 110.055 113.946 -3.891 1 1 868 . 4 2 2 B 6 6 ILE H H 104 7.831 7.694 0.137 1 1 869 . 4 2 2 B 6 6 ILE HA H 104 4.286 3.972 0.314 1 1 879 . 4 2 2 B 6 6 ILE C C 104 176.401 176.182 0.219 1 1 880 . 4 2 2 B 6 6 ILE CA C 104 61.558 63.684 -2.126 1 1 881 . 4 2 2 B 6 6 ILE CB C 104 39.436 38.381 1.055 1 1 885 . 4 2 2 B 6 6 ILE N N 104 119.606 117.773 1.833 1 1 886 . 4 2 2 B 7 7 SER H H 105 8.350 7.803 0.547 1 1 887 . 4 2 2 B 7 7 SER HA H 105 4.545 4.741 -0.196 1 1 890 . 4 2 2 B 7 7 SER C C 105 174.550 172.410 2.140 1 1 891 . 4 2 2 B 7 7 SER CA C 105 58.667 56.760 1.907 1 1 892 . 4 2 2 B 7 7 SER CB C 105 64.072 65.159 -1.087 1 1 893 . 4 2 2 B 7 7 SER N N 105 119.853 112.668 7.185 1 1 894 . 4 2 2 B 8 8 ILE H H 106 7.921 8.736 -0.815 1 1 895 . 4 2 2 B 8 8 ILE HA H 106 4.205 4.085 0.120 1 1 905 . 4 2 2 B 8 8 ILE C C 106 175.921 175.504 0.417 1 1 906 . 4 2 2 B 8 8 ILE CA C 106 61.935 60.272 1.663 1 1 907 . 4 2 2 B 8 8 ILE CB C 106 39.436 38.901 0.535 1 1 911 . 4 2 2 B 8 8 ILE N N 106 121.730 128.719 -6.989 1 1 912 . 4 2 2 B 9 9 TYR H H 107 8.166 8.446 -0.280 1 1 913 . 4 2 2 B 9 9 TYR HA H 107 4.713 4.236 0.477 1 1 920 . 4 2 2 B 9 9 TYR C C 107 176.058 176.438 -0.380 1 1 921 . 4 2 2 B 9 9 TYR CA C 107 58.165 60.345 -2.180 1 1 922 . 4 2 2 B 9 9 TYR CB C 107 39.436 38.566 0.870 1 1 925 . 4 2 2 B 9 9 TYR N N 107 123.598 125.764 -2.166 1 1 926 . 4 2 2 B 10 10 THR H H 108 7.961 7.701 0.260 1 1 927 . 4 2 2 B 10 10 THR HA H 108 4.433 4.440 -0.007 1 1 932 . 4 2 2 B 10 10 THR C C 108 174.459 175.256 -0.797 1 1 933 . 4 2 2 B 10 10 THR CA C 108 62.061 63.021 -0.960 1 1 934 . 4 2 2 B 10 10 THR CB C 108 70.608 68.410 2.198 1 1 936 . 4 2 2 B 10 10 THR N N 108 115.642 113.458 2.184 1 1 937 . 4 2 2 B 11 11 SER H H 109 8.211 8.778 -0.567 1 1 938 . 4 2 2 B 11 11 SER HA H 109 4.507 4.902 -0.395 1 1 941 . 4 2 2 B 11 11 SER C C 109 174.504 173.427 1.077 1 1 942 . 4 2 2 B 11 11 SER CA C 109 58.919 57.166 1.753 1 1 943 . 4 2 2 B 11 11 SER CB C 109 64.198 64.735 -0.537 1 1 944 . 4 2 2 B 11 11 SER N N 109 117.260 117.923 -0.663 1 1 945 . 4 2 2 B 12 12 ASP H H 110 8.351 8.000 0.351 1 1 946 . 4 2 2 B 12 12 ASP HA H 110 4.631 5.133 -0.502 1 1 949 . 4 2 2 B 12 12 ASP C C 110 176.058 175.158 0.900 1 1 950 . 4 2 2 B 12 12 ASP CA C 110 55.022 53.500 1.522 1 1 951 . 4 2 2 B 12 12 ASP CB C 110 41.825 43.392 -1.567 1 1 952 . 4 2 2 B 12 12 ASP N N 110 122.020 119.411 2.609 1 1 953 . 4 2 2 B 13 13 ASN H H 111 8.230 9.261 -1.031 1 1 954 . 4 2 2 B 13 13 ASN HA H 111 4.726 4.374 0.352 1 1 957 . 4 2 2 B 13 13 ASN C C 111 175.030 173.985 1.045 1 1 958 . 4 2 2 B 13 13 ASN CA C 111 53.765 54.019 -0.254 1 1 959 . 4 2 2 B 13 13 ASN CB C 111 39.562 37.072 2.490 1 1 960 . 4 2 2 B 13 13 ASN N N 111 118.317 118.738 -0.421 1 1 961 . 4 2 2 B 14 14 TYR H H 112 8.101 8.159 -0.058 1 1 962 . 4 2 2 B 14 14 TYR HA H 112 4.638 4.740 -0.102 1 1 969 . 4 2 2 B 14 14 TYR C C 112 176.081 174.965 1.116 1 1 970 . 4 2 2 B 14 14 TYR CA C 112 58.793 58.854 -0.061 1 1 971 . 4 2 2 B 14 14 TYR CB C 112 39.436 39.299 0.137 1 1 974 . 4 2 2 B 14 14 TYR N N 112 120.850 125.467 -4.617 1 1 975 . 4 2 2 B 15 15 THR H H 113 7.879 7.861 0.018 1 1 976 . 4 2 2 B 15 15 THR HA H 113 4.284 4.433 -0.149 1 1 981 . 4 2 2 B 15 15 THR C C 113 174.413 174.596 -0.183 1 1 982 . 4 2 2 B 15 15 THR CA C 113 62.187 60.679 1.508 1 1 983 . 4 2 2 B 15 15 THR CB C 113 70.341 68.749 1.592 1 1 985 . 4 2 2 B 15 15 THR N N 113 116.126 109.667 6.459 1 1 986 . 4 2 2 B 16 16 GLU H H 114 8.253 8.232 0.021 1 1 987 . 4 2 2 B 16 16 GLU HA H 114 4.256 4.360 -0.104 1 1 992 . 4 2 2 B 16 16 GLU C C 114 176.766 176.694 0.072 1 1 993 . 4 2 2 B 16 16 GLU CA C 114 57.410 58.095 -0.685 1 1 994 . 4 2 2 B 16 16 GLU CB C 114 30.620 28.780 1.840 1 1 996 . 4 2 2 B 16 16 GLU N N 114 123.052 122.517 0.535 1 1 997 . 4 2 2 B 17 17 GLU H H 115 8.331 7.830 0.501 1 1 998 . 4 2 2 B 17 17 GLU HA H 115 4.292 4.545 -0.253 1 1 1003 . 4 2 2 B 17 17 GLU C C 115 176.880 175.400 1.480 1 1 1004 . 4 2 2 B 17 17 GLU CA C 115 57.410 56.044 1.366 1 1 1005 . 4 2 2 B 17 17 GLU CB C 115 30.525 31.693 -1.168 1 1 1007 . 4 2 2 B 17 17 GLU N N 115 121.688 117.995 3.693 1 1 1008 . 4 2 2 B 18 18 MET H H 116 8.317 7.643 0.674 1 1 1009 . 4 2 2 B 18 18 MET HA H 116 4.490 4.995 -0.505 1 1 1014 . 4 2 2 B 18 18 MET C C 116 177.086 174.534 2.552 1 1 1015 . 4 2 2 B 18 18 MET CA C 116 56.279 53.773 2.506 1 1 1016 . 4 2 2 B 18 18 MET CB C 116 33.026 35.107 -2.081 1 1 1017 . 4 2 2 B 18 18 MET N N 116 121.270 115.725 5.545 1 1 1018 . 4 2 2 B 19 19 GLY H H 117 8.320 8.301 0.019 1 1 1019 . 4 2 2 B 19 19 GLY HA2 H 117 4.054 4.294 -0.240 1 1 1020 . 4 2 2 B 19 19 GLY HA3 H 117 4.054 4.319 -0.265 1 1 1021 . 4 2 2 B 19 19 GLY C C 117 174.481 172.647 1.834 1 1 1022 . 4 2 2 B 19 19 GLY CA C 117 45.847 46.033 -0.186 1 1 1023 . 4 2 2 B 19 19 GLY N N 117 110.055 106.827 3.228 1 1 1024 . 4 2 2 B 20 20 SER H H 118 8.230 8.693 -0.463 1 1 1025 . 4 2 2 B 20 20 SER HA H 118 4.476 5.243 -0.767 1 1 1028 . 4 2 2 B 20 20 SER C C 118 175.327 173.487 1.840 1 1 1029 . 4 2 2 B 20 20 SER CA C 118 58.919 56.322 2.597 1 1 1030 . 4 2 2 B 20 20 SER CB C 118 64.575 65.690 -1.115 1 1 1031 . 4 2 2 B 20 20 SER N N 118 115.664 116.411 -0.747 1 1 1032 . 4 2 2 B 21 21 GLY H H 119 8.371 8.515 -0.144 1 1 1033 . 4 2 2 B 21 21 GLY HA2 H 119 3.951 4.206 -0.255 1 1 1034 . 4 2 2 B 21 21 GLY HA3 H 119 3.951 4.207 -0.256 1 1 1035 . 4 2 2 B 21 21 GLY C C 119 174.002 172.288 1.714 1 1 1036 . 4 2 2 B 21 21 GLY CA C 119 45.721 45.679 0.042 1 1 1037 . 4 2 2 B 21 21 GLY N N 119 110.872 107.332 3.540 1 1 1068 . 4 2 2 B 25 25 SER H H 123 8.155 7.567 0.588 1 1 1069 . 4 2 2 B 25 25 SER HA H 123 4.404 4.353 0.051 1 1 1072 . 4 2 2 B 25 25 SER C C 123 175.075 173.723 1.352 1 1 1073 . 4 2 2 B 25 25 SER CA C 123 59.347 59.107 0.240 1 1 1074 . 4 2 2 B 25 25 SER CB C 123 63.879 62.836 1.043 1 1 1075 . 4 2 2 B 25 25 SER N N 123 116.126 116.267 -0.141 1 1 1076 . 4 2 2 B 26 26 MET H H 124 8.221 8.642 -0.421 1 1 1077 . 4 2 2 B 26 26 MET HA H 124 4.482 4.858 -0.376 1 1 1082 . 4 2 2 B 26 26 MET C C 124 176.355 174.247 2.108 1 1 1083 . 4 2 2 B 26 26 MET CA C 124 56.279 54.687 1.592 1 1 1084 . 4 2 2 B 26 26 MET CB C 124 32.900 35.768 -2.868 1 1 1086 . 4 2 2 B 26 26 MET N N 124 121.210 126.664 -5.454 1 1 1087 . 4 2 2 B 27 27 LYS H H 125 8.036 8.603 -0.567 1 1 1088 . 4 2 2 B 27 27 LYS HA H 125 4.333 5.270 -0.937 1 1 1097 . 4 2 2 B 27 27 LYS C C 125 176.355 175.308 1.047 1 1 1098 . 4 2 2 B 27 27 LYS CA C 125 56.656 54.480 2.176 1 1 1099 . 4 2 2 B 27 27 LYS CB C 125 33.529 36.312 -2.783 1 1 1103 . 4 2 2 B 27 27 LYS N N 125 121.457 120.263 1.194 1 1 1104 . 4 2 2 B 28 28 GLU H H 126 8.205 8.501 -0.296 1 1 1105 . 4 2 2 B 28 28 GLU N N 126 122.740 122.090 0.650 1 1 1106 . 4 2 2 B 29 29 PRO HA H 127 4.377 4.351 0.026 1 1 1113 . 4 2 2 B 29 29 PRO C C 127 176.812 177.718 -0.906 1 1 1114 . 4 2 2 B 29 29 PRO CA C 127 63.821 64.957 -1.136 1 1 1115 . 4 2 2 B 29 29 PRO CB C 127 32.272 31.890 0.382 1 1 1118 . 4 2 2 B 30 30 ALA H H 128 8.273 7.906 0.367 1 1 1119 . 4 2 2 B 30 30 ALA HA H 128 4.287 3.964 0.323 1 1 1123 . 4 2 2 B 30 30 ALA C C 128 177.589 177.308 0.281 1 1 1124 . 4 2 2 B 30 30 ALA CA C 128 52.873 54.777 -1.904 1 1 1125 . 4 2 2 B 30 30 ALA CB C 128 19.703 18.038 1.665 1 1 1126 . 4 2 2 B 30 30 ALA N N 128 123.577 118.135 5.442 1 1 1127 . 4 2 2 B 31 31 PHE H H 129 8.019 8.454 -0.435 1 1 1128 . 4 2 2 B 31 31 PHE HA H 129 4.621 4.146 0.475 1 1 1135 . 4 2 2 B 31 31 PHE C C 129 175.624 174.625 0.999 1 1 1136 . 4 2 2 B 31 31 PHE CA C 129 58.039 58.855 -0.816 1 1 1137 . 4 2 2 B 31 31 PHE CB C 129 40.055 37.470 2.585 1 1 1140 . 4 2 2 B 31 31 PHE N N 129 118.994 117.405 1.589 1 1 1141 . 4 2 2 B 32 32 ARG H H 130 8.042 7.636 0.406 1 1 1142 . 4 2 2 B 32 32 ARG HA H 130 4.332 4.781 -0.449 1 1 1149 . 4 2 2 B 32 32 ARG C C 130 175.875 174.478 1.397 1 1 1150 . 4 2 2 B 32 32 ARG CA C 130 56.154 54.010 2.144 1 1 1151 . 4 2 2 B 32 32 ARG CB C 130 31.643 33.659 -2.016 1 1 1154 . 4 2 2 B 32 32 ARG N N 130 122.929 119.405 3.524 1 1 1155 . 4 2 2 B 33 33 GLU H H 131 8.389 8.446 -0.057 1 1 1156 . 4 2 2 B 33 33 GLU HA H 131 4.276 4.384 -0.108 1 1 1161 . 4 2 2 B 33 33 GLU C C 131 176.766 175.878 0.888 1 1 1162 . 4 2 2 B 33 33 GLU CA C 131 57.285 56.459 0.826 1 1 1163 . 4 2 2 B 33 33 GLU CB C 131 30.512 30.101 0.411 1 1 1165 . 4 2 2 B 33 33 GLU N N 131 122.719 123.084 -0.365 1 1 1166 . 4 2 2 B 34 34 GLU H H 132 8.502 8.781 -0.279 1 1 1167 . 4 2 2 B 34 34 GLU HA H 132 4.275 4.588 -0.313 1 1 1172 . 4 2 2 B 34 34 GLU C C 132 176.560 175.405 1.155 1 1 1173 . 4 2 2 B 34 34 GLU CA C 132 57.400 56.629 0.771 1 1 1174 . 4 2 2 B 34 34 GLU CB C 132 30.526 30.128 0.398 1 1 1176 . 4 2 2 B 34 34 GLU N N 132 122.122 125.096 -2.974 1 1 1177 . 4 2 2 B 35 35 ASN H H 133 8.362 8.984 -0.622 1 1 1178 . 4 2 2 B 35 35 ASN HA H 133 4.693 5.016 -0.323 1 1 1181 . 4 2 2 B 35 35 ASN C C 133 175.258 174.142 1.116 1 1 1182 . 4 2 2 B 35 35 ASN CA C 133 53.765 52.191 1.574 1 1 1183 . 4 2 2 B 35 35 ASN CB C 133 39.562 38.530 1.032 1 1 1184 . 4 2 2 B 35 35 ASN N N 133 119.552 125.656 -6.104 1 1 1185 . 4 2 2 B 36 36 ALA H H 134 8.155 8.176 -0.021 1 1 1186 . 4 2 2 B 36 36 ALA HA H 134 4.289 4.799 -0.510 1 1 1190 . 4 2 2 B 36 36 ALA C C 134 177.520 175.598 1.922 1 1 1191 . 4 2 2 B 36 36 ALA CA C 134 52.873 52.265 0.608 1 1 1192 . 4 2 2 B 36 36 ALA CB C 134 19.703 19.905 -0.202 1 1 1193 . 4 2 2 B 36 36 ALA N N 134 124.376 127.019 -2.643 1 1 1194 . 4 2 2 B 37 37 ASN H H 135 8.210 9.188 -0.978 1 1 1195 . 4 2 2 B 37 37 ASN HA H 135 4.694 5.217 -0.523 1 1 1198 . 4 2 2 B 37 37 ASN C C 135 175.144 173.852 1.292 1 1 1199 . 4 2 2 B 37 37 ASN CA C 135 53.640 52.621 1.019 1 1 1200 . 4 2 2 B 37 37 ASN CB C 135 39.311 39.575 -0.264 1 1 1201 . 4 2 2 B 37 37 ASN N N 135 117.103 124.082 -6.979 1 1 1202 . 4 2 2 B 38 38 PHE H H 136 7.997 8.722 -0.725 1 1 1203 . 4 2 2 B 38 38 PHE HA H 136 4.659 4.980 -0.321 1 1 1210 . 4 2 2 B 38 38 PHE C C 136 175.601 173.168 2.433 1 1 1211 . 4 2 2 B 38 38 PHE CA C 136 58.165 57.691 0.474 1 1 1212 . 4 2 2 B 38 38 PHE CB C 136 39.939 40.454 -0.515 1 1 1215 . 4 2 2 B 38 38 PHE N N 136 120.229 127.400 -7.171 1 1 1216 . 4 2 2 B 39 39 ASN H H 137 8.272 9.070 -0.798 1 1 1217 . 4 2 2 B 39 39 ASN HA H 137 4.733 5.116 -0.383 1 1 1220 . 4 2 2 B 39 39 ASN C C 137 174.047 173.909 0.138 1 1 1221 . 4 2 2 B 39 39 ASN CA C 137 53.891 51.829 2.062 1 1 1222 . 4 2 2 B 39 39 ASN CB C 137 39.688 39.246 0.442 1 1 1223 . 4 2 2 B 39 39 ASN N N 137 120.594 126.129 -5.535 1 1 3 . 5 1 1 A 4 4 PRO HA H 2 4.509 4.664 -0.155 1 1 10 . 5 1 1 A 4 4 PRO C C 2 177.132 177.522 -0.390 1 1 11 . 5 1 1 A 4 4 PRO CA C 2 63.529 62.344 1.185 1 1 12 . 5 1 1 A 4 4 PRO CB C 2 32.476 32.108 0.368 1 1 15 . 5 1 1 A 5 5 VAL H H 3 8.201 8.514 -0.313 1 1 16 . 5 1 1 A 5 5 VAL HA H 3 4.152 4.114 0.038 1 1 24 . 5 1 1 A 5 5 VAL C C 3 176.423 175.326 1.097 1 1 25 . 5 1 1 A 5 5 VAL CA C 3 62.873 64.075 -1.202 1 1 26 . 5 1 1 A 5 5 VAL CB C 3 33.455 32.696 0.759 1 1 28 . 5 1 1 A 5 5 VAL N N 3 120.488 123.119 -2.631 1 1 29 . 5 1 1 A 6 6 SER H H 4 8.276 7.667 0.609 1 1 30 . 5 1 1 A 6 6 SER HA H 4 4.494 4.869 -0.375 1 1 33 . 5 1 1 A 6 6 SER C C 4 174.687 172.833 1.854 1 1 34 . 5 1 1 A 6 6 SER CA C 4 58.375 57.557 0.818 1 1 35 . 5 1 1 A 6 6 SER CB C 4 64.295 66.191 -1.896 1 1 36 . 5 1 1 A 6 6 SER N N 4 119.000 113.836 5.164 1 1 37 . 5 1 1 A 7 7 LEU H H 5 8.238 8.555 -0.317 1 1 38 . 5 1 1 A 7 7 LEU HA H 5 4.406 5.190 -0.784 1 1 44 . 5 1 1 A 7 7 LEU C C 5 177.406 175.177 2.229 1 1 45 . 5 1 1 A 7 7 LEU CA C 5 55.766 53.108 2.658 1 1 46 . 5 1 1 A 7 7 LEU CB C 5 43.132 45.248 -2.116 1 1 48 . 5 1 1 A 7 7 LEU N N 5 124.704 122.122 2.582 1 1 49 . 5 1 1 A 8 8 SER H H 6 8.148 8.692 -0.544 1 1 50 . 5 1 1 A 8 8 SER HA H 6 4.438 4.777 -0.339 1 1 53 . 5 1 1 A 8 8 SER C C 6 174.321 172.321 2.000 1 1 54 . 5 1 1 A 8 8 SER CA C 6 58.718 57.587 1.131 1 1 55 . 5 1 1 A 8 8 SER CB C 6 64.295 67.206 -2.911 1 1 56 . 5 1 1 A 8 8 SER N N 6 115.960 115.984 -0.024 1 1 57 . 5 1 1 A 9 9 TYR H H 7 7.954 8.729 -0.775 1 1 58 . 5 1 1 A 9 9 TYR HA H 7 4.585 4.744 -0.159 1 1 65 . 5 1 1 A 9 9 TYR C C 7 175.532 175.701 -0.169 1 1 66 . 5 1 1 A 9 9 TYR CA C 7 58.335 57.123 1.212 1 1 67 . 5 1 1 A 9 9 TYR CB C 7 39.474 36.907 2.567 1 1 70 . 5 1 1 A 9 9 TYR N N 7 121.884 120.320 1.564 1 1 71 . 5 1 1 A 10 10 ARG H H 8 8.117 8.073 0.044 1 1 72 . 5 1 1 A 10 10 ARG HA H 8 4.349 4.893 -0.544 1 1 79 . 5 1 1 A 10 10 ARG C C 8 175.898 174.884 1.014 1 1 80 . 5 1 1 A 10 10 ARG CA C 8 56.048 53.822 2.226 1 1 81 . 5 1 1 A 10 10 ARG CB C 8 31.492 34.432 -2.940 1 1 84 . 5 1 1 A 10 10 ARG N N 8 121.977 121.407 0.570 1 1 85 . 5 1 1 A 11 11 CYS H H 9 8.127 8.757 -0.630 1 1 86 . 5 1 1 A 11 11 CYS HA H 9 4.984 5.355 -0.371 1 1 89 . 5 1 1 A 11 11 CYS C C 9 177.771 173.669 4.102 1 1 90 . 5 1 1 A 11 11 CYS CA C 9 53.192 55.033 -1.841 1 1 91 . 5 1 1 A 11 11 CYS CB C 9 40.897 42.407 -1.510 1 1 92 . 5 1 1 A 11 11 CYS N N 9 121.209 120.114 1.095 1 1 93 . 5 1 1 A 12 12 PRO HA H 10 4.321 4.350 -0.029 1 1 100 . 5 1 1 A 12 12 PRO CA C 10 65.478 65.222 0.256 1 1 101 . 5 1 1 A 12 12 PRO CB C 10 32.904 31.496 1.408 1 1 104 . 5 1 1 A 13 13 CYS H H 11 8.633 8.061 0.572 1 1 105 . 5 1 1 A 13 13 CYS C C 11 174.618 173.345 1.273 1 1 106 . 5 1 1 A 13 13 CYS N N 11 114.595 116.379 -1.784 1 1 107 . 5 1 1 A 14 14 ARG H H 12 8.236 8.794 -0.558 1 1 108 . 5 1 1 A 14 14 ARG HA H 12 4.067 4.276 -0.209 1 1 115 . 5 1 1 A 14 14 ARG C C 12 175.098 175.959 -0.861 1 1 116 . 5 1 1 A 14 14 ARG CA C 12 57.370 57.257 0.113 1 1 117 . 5 1 1 A 14 14 ARG CB C 12 31.631 31.059 0.572 1 1 120 . 5 1 1 A 14 14 ARG N N 12 122.779 124.196 -1.417 1 1 121 . 5 1 1 A 15 15 PHE H H 13 7.615 7.685 -0.070 1 1 122 . 5 1 1 A 15 15 PHE HA H 13 4.510 4.861 -0.351 1 1 129 . 5 1 1 A 15 15 PHE C C 13 174.162 174.854 -0.692 1 1 130 . 5 1 1 A 15 15 PHE CA C 13 56.289 56.246 0.043 1 1 131 . 5 1 1 A 15 15 PHE CB C 13 41.320 43.131 -1.811 1 1 134 . 5 1 1 A 15 15 PHE N N 13 116.797 116.418 0.379 1 1 135 . 5 1 1 A 16 16 PHE H H 14 8.125 7.955 0.170 1 1 136 . 5 1 1 A 16 16 PHE HA H 14 4.767 5.821 -1.054 1 1 143 . 5 1 1 A 16 16 PHE C C 14 175.441 174.292 1.149 1 1 144 . 5 1 1 A 16 16 PHE CA C 14 55.767 55.235 0.532 1 1 145 . 5 1 1 A 16 16 PHE CB C 14 41.320 42.661 -1.341 1 1 148 . 5 1 1 A 16 16 PHE N N 14 118.930 119.278 -0.348 1 1 149 . 5 1 1 A 17 17 GLU H H 15 8.836 9.439 -0.603 1 1 150 . 5 1 1 A 17 17 GLU HA H 15 4.579 5.383 -0.804 1 1 155 . 5 1 1 A 17 17 GLU C C 15 176.857 176.447 0.410 1 1 156 . 5 1 1 A 17 17 GLU CA C 15 56.289 55.072 1.217 1 1 157 . 5 1 1 A 17 17 GLU CB C 15 31.173 32.878 -1.705 1 1 159 . 5 1 1 A 17 17 GLU N N 15 122.929 120.667 2.262 1 1 160 . 5 1 1 A 18 18 SER H H 16 8.751 8.698 0.053 1 1 161 . 5 1 1 A 18 18 SER HA H 16 4.762 5.075 -0.313 1 1 164 . 5 1 1 A 18 18 SER C C 16 177.497 173.509 3.988 1 1 165 . 5 1 1 A 18 18 SER CA C 16 59.328 56.413 2.915 1 1 166 . 5 1 1 A 18 18 SER CB C 16 64.515 66.617 -2.102 1 1 167 . 5 1 1 A 18 18 SER N N 16 118.860 114.196 4.664 1 1 168 . 5 1 1 A 19 19 HIS H H 17 8.761 8.558 0.203 1 1 169 . 5 1 1 A 19 19 HIS HA H 17 4.859 4.116 0.743 1 1 174 . 5 1 1 A 19 19 HIS C C 17 174.618 174.172 0.446 1 1 175 . 5 1 1 A 19 19 HIS CA C 17 56.449 57.220 -0.771 1 1 176 . 5 1 1 A 19 19 HIS CB C 17 29.870 26.755 3.115 1 1 179 . 5 1 1 A 19 19 HIS N N 17 120.535 115.855 4.680 1 1 180 . 5 1 1 A 20 20 VAL H H 18 7.157 8.150 -0.993 1 1 181 . 5 1 1 A 20 20 VAL HA H 18 4.181 4.233 -0.052 1 1 189 . 5 1 1 A 20 20 VAL C C 18 174.436 175.107 -0.671 1 1 190 . 5 1 1 A 20 20 VAL CA C 18 62.167 61.512 0.655 1 1 191 . 5 1 1 A 20 20 VAL CB C 18 34.426 33.039 1.387 1 1 193 . 5 1 1 A 20 20 VAL N N 18 120.872 119.838 1.034 1 1 194 . 5 1 1 A 21 21 ALA H H 19 8.521 8.757 -0.236 1 1 195 . 5 1 1 A 21 21 ALA HA H 19 4.372 4.130 0.242 1 1 199 . 5 1 1 A 21 21 ALA C C 19 177.657 177.802 -0.145 1 1 200 . 5 1 1 A 21 21 ALA CA C 19 51.193 51.693 -0.500 1 1 201 . 5 1 1 A 21 21 ALA CB C 19 19.790 19.178 0.612 1 1 202 . 5 1 1 A 21 21 ALA N N 19 131.339 128.563 2.776 1 1 203 . 5 1 1 A 22 22 ARG H H 20 7.790 8.120 -0.330 1 1 204 . 5 1 1 A 22 22 ARG HA H 20 2.445 3.064 -0.619 1 1 211 . 5 1 1 A 22 22 ARG C C 20 178.365 176.936 1.429 1 1 212 . 5 1 1 A 22 22 ARG CA C 20 59.379 57.944 1.435 1 1 213 . 5 1 1 A 22 22 ARG CB C 20 29.572 29.435 0.137 1 1 216 . 5 1 1 A 22 22 ARG N N 20 124.365 123.073 1.292 1 1 217 . 5 1 1 A 23 23 ALA H H 21 8.120 7.461 0.659 1 1 218 . 5 1 1 A 23 23 ALA HA H 21 4.060 4.169 -0.109 1 1 222 . 5 1 1 A 23 23 ALA C C 21 178.000 178.095 -0.095 1 1 223 . 5 1 1 A 23 23 ALA CA C 21 54.100 53.246 0.854 1 1 224 . 5 1 1 A 23 23 ALA CB C 21 18.713 18.721 -0.008 1 1 225 . 5 1 1 A 23 23 ALA N N 21 117.156 120.525 -3.369 1 1 226 . 5 1 1 A 24 24 ASN H H 22 7.717 7.665 0.052 1 1 227 . 5 1 1 A 24 24 ASN HA H 22 5.010 4.760 0.250 1 1 232 . 5 1 1 A 24 24 ASN C C 22 174.938 174.761 0.177 1 1 233 . 5 1 1 A 24 24 ASN CA C 22 52.869 53.272 -0.403 1 1 234 . 5 1 1 A 24 24 ASN CB C 22 40.573 39.025 1.548 1 1 235 . 5 1 1 A 24 24 ASN N N 22 112.819 115.273 -2.454 1 1 237 . 5 1 1 A 25 25 VAL H H 23 7.489 7.387 0.102 1 1 238 . 5 1 1 A 25 25 VAL HA H 23 4.888 4.407 0.481 1 1 246 . 5 1 1 A 25 25 VAL C C 23 175.829 175.799 0.030 1 1 247 . 5 1 1 A 25 25 VAL CA C 23 59.870 60.008 -0.138 1 1 248 . 5 1 1 A 25 25 VAL CB C 23 35.396 33.588 1.808 1 1 251 . 5 1 1 A 25 25 VAL N N 23 119.721 117.142 2.579 1 1 252 . 5 1 1 A 26 26 LYS H H 24 9.479 9.488 -0.009 1 1 253 . 5 1 1 A 26 26 LYS HA H 24 4.353 4.320 0.033 1 1 262 . 5 1 1 A 26 26 LYS C C 24 176.606 176.784 -0.178 1 1 263 . 5 1 1 A 26 26 LYS CA C 24 58.977 57.810 1.167 1 1 264 . 5 1 1 A 26 26 LYS CB C 24 34.567 33.185 1.382 1 1 268 . 5 1 1 A 26 26 LYS N N 24 127.843 123.280 4.563 1 1 269 . 5 1 1 A 27 27 HIS H H 25 7.237 7.546 -0.309 1 1 270 . 5 1 1 A 27 27 HIS HA H 25 4.979 5.031 -0.052 1 1 275 . 5 1 1 A 27 27 HIS C C 25 178.434 172.479 5.955 1 1 276 . 5 1 1 A 27 27 HIS CA C 25 55.406 54.660 0.746 1 1 277 . 5 1 1 A 27 27 HIS CB C 25 32.480 31.382 1.098 1 1 280 . 5 1 1 A 27 27 HIS N N 25 109.556 114.148 -4.592 1 1 281 . 5 1 1 A 28 28 LEU H H 26 8.189 8.794 -0.605 1 1 282 . 5 1 1 A 28 28 LEU HA H 26 5.190 5.230 -0.040 1 1 292 . 5 1 1 A 28 28 LEU C C 26 175.510 175.226 0.284 1 1 293 . 5 1 1 A 28 28 LEU CA C 26 53.480 53.456 0.024 1 1 294 . 5 1 1 A 28 28 LEU CB C 26 45.235 45.080 0.155 1 1 298 . 5 1 1 A 28 28 LEU N N 26 117.260 119.836 -2.576 1 1 299 . 5 1 1 A 29 29 LYS H H 27 9.572 8.974 0.598 1 1 300 . 5 1 1 A 29 29 LYS HA H 27 5.372 5.265 0.107 1 1 309 . 5 1 1 A 29 29 LYS C C 27 174.801 174.444 0.357 1 1 310 . 5 1 1 A 29 29 LYS CA C 27 55.165 54.898 0.267 1 1 311 . 5 1 1 A 29 29 LYS CB C 27 35.253 36.050 -0.797 1 1 315 . 5 1 1 A 29 29 LYS N N 27 123.488 123.357 0.131 1 1 316 . 5 1 1 A 30 30 ILE H H 28 9.136 9.009 0.127 1 1 317 . 5 1 1 A 30 30 ILE HA H 28 4.926 5.227 -0.301 1 1 327 . 5 1 1 A 30 30 ILE C C 28 176.949 175.354 1.595 1 1 328 . 5 1 1 A 30 30 ILE CA C 28 60.542 59.587 0.955 1 1 329 . 5 1 1 A 30 30 ILE CB C 28 39.600 40.579 -0.979 1 1 333 . 5 1 1 A 30 30 ILE N N 28 123.846 126.934 -3.088 1 1 334 . 5 1 1 A 31 31 LEU H H 29 8.830 8.620 0.210 1 1 335 . 5 1 1 A 31 31 LEU HA H 29 4.535 4.984 -0.449 1 1 344 . 5 1 1 A 31 31 LEU C C 29 176.012 174.997 1.015 1 1 345 . 5 1 1 A 31 31 LEU CA C 29 55.366 53.590 1.776 1 1 346 . 5 1 1 A 31 31 LEU CB C 29 43.180 44.942 -1.762 1 1 349 . 5 1 1 A 31 31 LEU N N 29 128.649 126.659 1.990 1 1 350 . 5 1 1 A 32 32 ASN H H 30 8.216 9.013 -0.797 1 1 351 . 5 1 1 A 32 32 ASN HA H 30 5.013 5.235 -0.222 1 1 356 . 5 1 1 A 32 32 ASN C C 30 174.664 174.382 0.282 1 1 357 . 5 1 1 A 32 32 ASN CA C 30 52.517 51.850 0.667 1 1 358 . 5 1 1 A 32 32 ASN CB C 30 38.776 39.902 -1.126 1 1 359 . 5 1 1 A 32 32 ASN N N 30 120.791 123.707 -2.916 1 1 361 . 5 1 1 A 33 33 THR H H 31 7.883 8.731 -0.848 1 1 362 . 5 1 1 A 33 33 THR HA H 31 4.842 4.961 -0.119 1 1 367 . 5 1 1 A 33 33 THR CA C 31 58.369 58.655 -0.286 1 1 368 . 5 1 1 A 33 33 THR CB C 31 70.018 69.291 0.727 1 1 370 . 5 1 1 A 33 33 THR N N 31 115.811 117.754 -1.943 1 1 371 . 5 1 1 A 34 34 PRO HA H 32 4.317 4.307 0.010 1 1 378 . 5 1 1 A 34 34 PRO CA C 32 65.164 63.928 1.236 1 1 379 . 5 1 1 A 34 34 PRO CB C 32 32.484 31.763 0.721 1 1 382 . 5 1 1 A 35 35 ASN H H 33 8.254 8.939 -0.685 1 1 383 . 5 1 1 A 35 35 ASN HA H 33 4.651 4.532 0.119 1 1 388 . 5 1 1 A 35 35 ASN C C 33 174.710 173.853 0.857 1 1 389 . 5 1 1 A 35 35 ASN CA C 33 54.532 54.786 -0.254 1 1 390 . 5 1 1 A 35 35 ASN CB C 33 39.167 37.822 1.345 1 1 391 . 5 1 1 A 35 35 ASN N N 33 120.081 119.625 0.456 1 1 393 . 5 1 1 A 36 36 CYS H H 34 7.548 7.666 -0.118 1 1 394 . 5 1 1 A 36 36 CYS HA H 34 4.694 5.074 -0.380 1 1 397 . 5 1 1 A 36 36 CYS C C 34 173.865 173.233 0.632 1 1 398 . 5 1 1 A 36 36 CYS CA C 34 55.447 54.715 0.732 1 1 399 . 5 1 1 A 36 36 CYS CB C 34 45.228 47.028 -1.800 1 1 400 . 5 1 1 A 36 36 CYS N N 34 117.076 117.577 -0.501 1 1 401 . 5 1 1 A 37 37 ALA H H 35 8.472 8.504 -0.032 1 1 402 . 5 1 1 A 37 37 ALA HA H 35 4.236 4.427 -0.191 1 1 406 . 5 1 1 A 37 37 ALA C C 35 176.423 177.250 -0.827 1 1 407 . 5 1 1 A 37 37 ALA CA C 35 53.537 51.397 2.140 1 1 408 . 5 1 1 A 37 37 ALA CB C 35 19.202 20.445 -1.243 1 1 409 . 5 1 1 A 37 37 ALA N N 35 125.153 124.621 0.532 1 1 410 . 5 1 1 A 38 38 CYS H H 36 8.316 8.436 -0.120 1 1 411 . 5 1 1 A 38 38 CYS HA H 36 4.196 4.285 -0.089 1 1 414 . 5 1 1 A 38 38 CYS C C 36 173.705 173.980 -0.275 1 1 415 . 5 1 1 A 38 38 CYS CA C 36 58.616 59.983 -1.367 1 1 416 . 5 1 1 A 38 38 CYS CB C 36 45.705 27.798 17.907 1 1 417 . 5 1 1 A 38 38 CYS N N 36 118.837 118.231 0.606 1 1 418 . 5 1 1 A 39 39 GLN H H 37 8.921 8.411 0.510 1 1 419 . 5 1 1 A 39 39 GLN HA H 37 4.609 4.651 -0.042 1 1 426 . 5 1 1 A 39 39 GLN C C 37 173.636 173.580 0.056 1 1 427 . 5 1 1 A 39 39 GLN CA C 37 54.603 55.201 -0.598 1 1 428 . 5 1 1 A 39 39 GLN CB C 37 31.761 32.647 -0.886 1 1 430 . 5 1 1 A 39 39 GLN N N 37 128.567 124.751 3.816 1 1 432 . 5 1 1 A 40 40 ILE H H 38 8.893 8.472 0.421 1 1 433 . 5 1 1 A 40 40 ILE HA H 38 5.068 4.877 0.191 1 1 443 . 5 1 1 A 40 40 ILE C C 38 174.390 175.249 -0.859 1 1 444 . 5 1 1 A 40 40 ILE CA C 38 60.582 60.058 0.524 1 1 445 . 5 1 1 A 40 40 ILE CB C 38 40.048 39.726 0.322 1 1 449 . 5 1 1 A 40 40 ILE N N 38 123.962 127.848 -3.886 1 1 450 . 5 1 1 A 41 41 VAL H H 39 9.120 9.365 -0.245 1 1 451 . 5 1 1 A 41 41 VAL HA H 39 4.845 4.900 -0.055 1 1 459 . 5 1 1 A 41 41 VAL C C 39 175.487 174.383 1.104 1 1 460 . 5 1 1 A 41 41 VAL CA C 39 59.980 60.626 -0.646 1 1 461 . 5 1 1 A 41 41 VAL CB C 39 35.868 34.883 0.985 1 1 464 . 5 1 1 A 41 41 VAL N N 39 126.354 126.763 -0.409 1 1 465 . 5 1 1 A 42 42 ALA H H 40 9.513 9.377 0.136 1 1 466 . 5 1 1 A 42 42 ALA HA H 40 5.154 5.250 -0.096 1 1 470 . 5 1 1 A 42 42 ALA C C 40 175.944 175.644 0.300 1 1 471 . 5 1 1 A 42 42 ALA CA C 40 50.591 50.207 0.384 1 1 472 . 5 1 1 A 42 42 ALA CB C 40 22.432 23.164 -0.732 1 1 473 . 5 1 1 A 42 42 ALA N N 40 128.406 128.876 -0.470 1 1 474 . 5 1 1 A 43 43 ARG H H 41 7.717 7.848 -0.131 1 1 475 . 5 1 1 A 43 43 ARG HA H 41 4.979 4.645 0.334 1 1 482 . 5 1 1 A 43 43 ARG C C 41 175.510 176.070 -0.560 1 1 483 . 5 1 1 A 43 43 ARG CA C 41 54.162 55.483 -1.321 1 1 484 . 5 1 1 A 43 43 ARG CB C 41 31.200 31.469 -0.269 1 1 487 . 5 1 1 A 43 43 ARG N N 41 121.663 121.118 0.545 1 1 488 . 5 1 1 A 44 44 LEU H H 42 9.163 8.635 0.528 1 1 489 . 5 1 1 A 44 44 LEU HA H 42 5.033 4.685 0.348 1 1 499 . 5 1 1 A 44 44 LEU C C 42 177.840 178.145 -0.305 1 1 500 . 5 1 1 A 44 44 LEU CA C 42 54.724 54.729 -0.005 1 1 501 . 5 1 1 A 44 44 LEU CB C 42 41.712 42.081 -0.369 1 1 505 . 5 1 1 A 44 44 LEU N N 42 129.087 125.789 3.298 1 1 506 . 5 1 1 A 45 45 LYS H H 43 8.417 8.645 -0.228 1 1 507 . 5 1 1 A 45 45 LYS HA H 43 3.950 4.146 -0.196 1 1 516 . 5 1 1 A 45 45 LYS CA C 43 59.016 58.839 0.177 1 1 517 . 5 1 1 A 45 45 LYS CB C 43 34.102 32.833 1.269 1 1 520 . 5 1 1 A 45 45 LYS N N 43 119.674 122.471 -2.797 1 1 521 . 5 1 1 A 48 48 ASN HA H 46 4.723 4.881 -0.158 1 1 526 . 5 1 1 A 48 48 ASN C C 46 175.098 174.688 0.410 1 1 527 . 5 1 1 A 48 48 ASN CA C 46 54.764 54.032 0.732 1 1 528 . 5 1 1 A 48 48 ASN CB C 46 39.265 41.474 -2.209 1 1 530 . 5 1 1 A 49 49 ARG H H 47 7.919 7.767 0.152 1 1 531 . 5 1 1 A 49 49 ARG HA H 47 4.353 4.612 -0.259 1 1 538 . 5 1 1 A 49 49 ARG C C 47 175.601 173.704 1.897 1 1 539 . 5 1 1 A 49 49 ARG CA C 47 57.051 54.913 2.138 1 1 540 . 5 1 1 A 49 49 ARG CB C 47 32.121 31.547 0.574 1 1 543 . 5 1 1 A 49 49 ARG N N 47 119.826 113.951 5.875 1 1 544 . 5 1 1 A 50 50 GLN H H 48 8.547 8.533 0.014 1 1 545 . 5 1 1 A 50 50 GLN HA H 48 5.456 5.047 0.409 1 1 552 . 5 1 1 A 50 50 GLN C C 48 175.578 175.232 0.346 1 1 553 . 5 1 1 A 50 50 GLN CA C 48 55.125 54.611 0.514 1 1 554 . 5 1 1 A 50 50 GLN CB C 48 32.121 30.767 1.354 1 1 556 . 5 1 1 A 50 50 GLN N N 48 120.767 118.947 1.820 1 1 558 . 5 1 1 A 51 51 VAL H H 49 8.630 9.114 -0.484 1 1 559 . 5 1 1 A 51 51 VAL HA H 49 4.826 4.758 0.068 1 1 567 . 5 1 1 A 51 51 VAL C C 49 175.258 174.801 0.457 1 1 568 . 5 1 1 A 51 51 VAL CA C 49 59.338 59.963 -0.625 1 1 569 . 5 1 1 A 51 51 VAL CB C 49 36.155 33.913 2.242 1 1 572 . 5 1 1 A 51 51 VAL N N 49 116.678 117.527 -0.849 1 1 573 . 5 1 1 A 52 52 CYS H H 50 9.100 8.664 0.436 1 1 574 . 5 1 1 A 52 52 CYS HA H 50 5.301 5.141 0.160 1 1 577 . 5 1 1 A 52 52 CYS C C 50 174.527 173.527 1.000 1 1 578 . 5 1 1 A 52 52 CYS CA C 50 58.054 55.549 2.505 1 1 579 . 5 1 1 A 52 52 CYS CB C 50 43.375 42.571 0.804 1 1 580 . 5 1 1 A 52 52 CYS N N 50 124.549 121.703 2.846 1 1 581 . 5 1 1 A 53 53 ILE H H 51 8.485 9.362 -0.877 1 1 582 . 5 1 1 A 53 53 ILE HA H 51 4.964 4.791 0.173 1 1 592 . 5 1 1 A 53 53 ILE C C 51 173.019 175.118 -2.099 1 1 593 . 5 1 1 A 53 53 ILE CA C 51 58.897 60.206 -1.309 1 1 594 . 5 1 1 A 53 53 ILE CB C 51 42.201 40.366 1.835 1 1 598 . 5 1 1 A 53 53 ILE N N 51 122.581 125.600 -3.019 1 1 599 . 5 1 1 A 54 54 ASP H H 52 7.661 8.850 -1.189 1 1 600 . 5 1 1 A 54 54 ASP HA H 52 3.642 4.529 -0.887 1 1 603 . 5 1 1 A 54 54 ASP CA C 52 51.574 51.883 -0.309 1 1 604 . 5 1 1 A 54 54 ASP CB C 52 42.515 42.041 0.474 1 1 605 . 5 1 1 A 54 54 ASP N N 52 125.772 127.392 -1.620 1 1 606 . 5 1 1 A 55 55 PRO HA H 53 4.025 4.340 -0.315 1 1 613 . 5 1 1 A 55 55 PRO C C 53 176.126 176.386 -0.260 1 1 614 . 5 1 1 A 55 55 PRO CA C 53 63.993 63.948 0.045 1 1 615 . 5 1 1 A 55 55 PRO CB C 53 33.002 31.509 1.493 1 1 618 . 5 1 1 A 56 56 LYS H H 54 7.931 7.723 0.208 1 1 619 . 5 1 1 A 56 56 LYS HA H 54 3.988 4.350 -0.362 1 1 628 . 5 1 1 A 56 56 LYS C C 54 177.931 176.055 1.876 1 1 629 . 5 1 1 A 56 56 LYS CA C 54 56.770 55.979 0.791 1 1 630 . 5 1 1 A 56 56 LYS CB C 54 32.023 33.162 -1.139 1 1 634 . 5 1 1 A 56 56 LYS N N 54 112.924 115.780 -2.856 1 1 635 . 5 1 1 A 57 57 LEU H H 55 7.162 7.284 -0.122 1 1 636 . 5 1 1 A 57 57 LEU HA H 55 4.059 3.965 0.094 1 1 646 . 5 1 1 A 57 57 LEU C C 55 179.416 177.763 1.653 1 1 647 . 5 1 1 A 57 57 LEU CA C 55 56.088 55.440 0.648 1 1 648 . 5 1 1 A 57 57 LEU CB C 55 42.191 42.720 -0.529 1 1 652 . 5 1 1 A 57 57 LEU N N 55 120.593 122.538 -1.945 1 1 653 . 5 1 1 A 58 58 LYS H H 56 8.720 8.986 -0.266 1 1 654 . 5 1 1 A 58 58 LYS HA H 56 3.920 3.817 0.103 1 1 663 . 5 1 1 A 58 58 LYS C C 56 178.937 178.009 0.928 1 1 664 . 5 1 1 A 58 58 LYS CA C 56 60.301 60.056 0.245 1 1 665 . 5 1 1 A 58 58 LYS CB C 56 32.121 32.398 -0.277 1 1 669 . 5 1 1 A 58 58 LYS N N 56 125.479 126.603 -1.124 1 1 670 . 5 1 1 A 59 59 TRP H H 57 7.811 8.419 -0.608 1 1 671 . 5 1 1 A 59 59 TRP HA H 57 4.664 4.464 0.200 1 1 680 . 5 1 1 A 59 59 TRP C C 57 178.868 179.279 -0.411 1 1 681 . 5 1 1 A 59 59 TRP CA C 57 58.897 59.981 -1.084 1 1 682 . 5 1 1 A 59 59 TRP CB C 57 28.036 27.876 0.160 1 1 688 . 5 1 1 A 59 59 TRP N N 57 113.433 119.244 -5.811 1 1 690 . 5 1 1 A 60 60 ILE H H 58 6.467 7.277 -0.810 1 1 691 . 5 1 1 A 60 60 ILE HA H 58 3.325 3.380 -0.055 1 1 701 . 5 1 1 A 60 60 ILE C C 58 177.726 177.640 0.086 1 1 702 . 5 1 1 A 60 60 ILE CA C 58 64.314 64.753 -0.439 1 1 703 . 5 1 1 A 60 60 ILE CB C 58 35.897 36.996 -1.099 1 1 707 . 5 1 1 A 60 60 ILE N N 58 124.379 122.433 1.946 1 1 708 . 5 1 1 A 61 61 GLN H H 59 7.624 8.034 -0.410 1 1 709 . 5 1 1 A 61 61 GLN HA H 59 3.755 3.876 -0.121 1 1 716 . 5 1 1 A 61 61 GLN C C 59 178.434 178.460 -0.026 1 1 717 . 5 1 1 A 61 61 GLN CA C 59 59.379 59.226 0.153 1 1 718 . 5 1 1 A 61 61 GLN CB C 59 28.602 28.378 0.224 1 1 720 . 5 1 1 A 61 61 GLN N N 59 119.070 118.391 0.679 1 1 722 . 5 1 1 A 62 62 GLU H H 60 8.064 8.388 -0.324 1 1 723 . 5 1 1 A 62 62 GLU HA H 60 4.087 4.029 0.058 1 1 728 . 5 1 1 A 62 62 GLU C C 60 179.051 178.363 0.688 1 1 729 . 5 1 1 A 62 62 GLU CA C 60 59.659 59.533 0.126 1 1 730 . 5 1 1 A 62 62 GLU CB C 60 30.457 29.447 1.010 1 1 732 . 5 1 1 A 62 62 GLU N N 60 117.166 120.401 -3.235 1 1 733 . 5 1 1 A 63 63 TYR H H 61 7.924 8.108 -0.184 1 1 734 . 5 1 1 A 63 63 TYR HA H 61 4.254 4.269 -0.015 1 1 741 . 5 1 1 A 63 63 TYR C C 61 178.617 177.680 0.937 1 1 742 . 5 1 1 A 63 63 TYR CA C 61 61.184 61.536 -0.352 1 1 743 . 5 1 1 A 63 63 TYR CB C 61 39.461 38.368 1.093 1 1 746 . 5 1 1 A 63 63 TYR N N 61 121.271 120.695 0.576 1 1 747 . 5 1 1 A 64 64 LEU H H 62 8.260 9.190 -0.930 1 1 748 . 5 1 1 A 64 64 LEU HA H 62 3.966 4.010 -0.044 1 1 758 . 5 1 1 A 64 64 LEU C C 62 179.553 178.869 0.684 1 1 759 . 5 1 1 A 64 64 LEU CA C 62 58.014 58.369 -0.355 1 1 760 . 5 1 1 A 64 64 LEU CB C 62 42.397 41.615 0.782 1 1 764 . 5 1 1 A 64 64 LEU N N 62 116.299 120.237 -3.938 1 1 765 . 5 1 1 A 65 65 GLU H H 63 8.454 8.507 -0.053 1 1 766 . 5 1 1 A 65 65 GLU HA H 63 3.854 3.933 -0.079 1 1 771 . 5 1 1 A 65 65 GLU C C 63 179.279 179.032 0.247 1 1 772 . 5 1 1 A 65 65 GLU CA C 63 60.301 59.882 0.419 1 1 773 . 5 1 1 A 65 65 GLU CB C 63 29.870 29.210 0.660 1 1 775 . 5 1 1 A 65 65 GLU N N 63 118.616 118.489 0.127 1 1 776 . 5 1 1 A 66 66 LYS H H 64 7.575 8.128 -0.553 1 1 777 . 5 1 1 A 66 66 LYS HA H 64 4.225 4.078 0.147 1 1 786 . 5 1 1 A 66 66 LYS C C 64 178.457 178.744 -0.287 1 1 787 . 5 1 1 A 66 66 LYS CA C 64 58.496 59.233 -0.737 1 1 788 . 5 1 1 A 66 66 LYS CB C 64 32.400 31.932 0.468 1 1 792 . 5 1 1 A 66 66 LYS N N 64 117.166 118.918 -1.752 1 1 793 . 5 1 1 A 67 67 CYS H H 65 7.918 8.307 -0.389 1 1 794 . 5 1 1 A 67 67 CYS HA H 65 4.526 4.214 0.312 1 1 797 . 5 1 1 A 67 67 CYS C C 65 174.893 177.319 -2.426 1 1 798 . 5 1 1 A 67 67 CYS CA C 65 56.329 62.127 -5.798 1 1 799 . 5 1 1 A 67 67 CYS CB C 65 45.235 27.378 17.857 1 1 800 . 5 1 1 A 67 67 CYS N N 65 115.330 118.570 -3.240 1 1 801 . 5 1 1 A 68 68 LEU H H 66 7.559 7.997 -0.438 1 1 802 . 5 1 1 A 68 68 LEU HA H 66 4.491 4.052 0.439 1 1 812 . 5 1 1 A 68 68 LEU C C 66 176.812 177.961 -1.149 1 1 813 . 5 1 1 A 68 68 LEU CA C 66 55.366 57.688 -2.322 1 1 814 . 5 1 1 A 68 68 LEU CB C 66 43.278 41.589 1.689 1 1 818 . 5 1 1 A 68 68 LEU N N 66 120.930 122.488 -1.558 1 1 819 . 5 1 1 A 69 69 ASN H H 67 8.265 8.048 0.217 1 1 820 . 5 1 1 A 69 69 ASN HA H 67 4.669 5.012 -0.343 1 1 825 . 5 1 1 A 69 69 ASN CA C 67 53.761 54.616 -0.855 1 1 826 . 5 1 1 A 69 69 ASN CB C 67 39.069 40.742 -1.673 1 1 827 . 5 1 1 A 69 69 ASN N N 67 120.279 115.881 4.398 1 1 852 . 5 2 2 B 4 4 GLU H H 102 8.342 8.645 -0.303 1 1 853 . 5 2 2 B 4 4 GLU HA H 102 4.282 4.532 -0.250 1 1 858 . 5 2 2 B 4 4 GLU C C 102 177.132 176.117 1.015 1 1 859 . 5 2 2 B 4 4 GLU CA C 102 57.410 55.853 1.557 1 1 861 . 5 2 2 B 4 4 GLU N N 102 121.884 122.964 -1.080 1 1 862 . 5 2 2 B 5 5 GLY H H 103 8.331 8.737 -0.406 1 1 863 . 5 2 2 B 5 5 GLY HA2 H 103 3.960 4.200 -0.240 1 1 864 . 5 2 2 B 5 5 GLY HA3 H 103 3.960 4.214 -0.254 1 1 865 . 5 2 2 B 5 5 GLY C C 103 174.207 173.050 1.157 1 1 866 . 5 2 2 B 5 5 GLY CA C 103 45.731 45.874 -0.143 1 1 867 . 5 2 2 B 5 5 GLY N N 103 110.055 112.856 -2.801 1 1 868 . 5 2 2 B 6 6 ILE H H 104 7.831 7.846 -0.015 1 1 869 . 5 2 2 B 6 6 ILE HA H 104 4.286 4.360 -0.074 1 1 879 . 5 2 2 B 6 6 ILE C C 104 176.401 175.486 0.915 1 1 880 . 5 2 2 B 6 6 ILE CA C 104 61.558 59.970 1.588 1 1 881 . 5 2 2 B 6 6 ILE CB C 104 39.436 39.686 -0.250 1 1 885 . 5 2 2 B 6 6 ILE N N 104 119.606 119.923 -0.317 1 1 886 . 5 2 2 B 7 7 SER H H 105 8.350 9.005 -0.655 1 1 887 . 5 2 2 B 7 7 SER HA H 105 4.545 4.400 0.145 1 1 890 . 5 2 2 B 7 7 SER C C 105 174.550 173.654 0.896 1 1 891 . 5 2 2 B 7 7 SER CA C 105 58.667 58.445 0.222 1 1 892 . 5 2 2 B 7 7 SER CB C 105 64.072 62.867 1.205 1 1 893 . 5 2 2 B 7 7 SER N N 105 119.853 120.697 -0.844 1 1 894 . 5 2 2 B 8 8 ILE H H 106 7.921 8.725 -0.804 1 1 895 . 5 2 2 B 8 8 ILE HA H 106 4.205 4.001 0.204 1 1 905 . 5 2 2 B 8 8 ILE C C 106 175.921 175.831 0.090 1 1 906 . 5 2 2 B 8 8 ILE CA C 106 61.935 63.088 -1.153 1 1 907 . 5 2 2 B 8 8 ILE CB C 106 39.436 37.808 1.628 1 1 911 . 5 2 2 B 8 8 ILE N N 106 121.730 128.025 -6.295 1 1 912 . 5 2 2 B 9 9 TYR H H 107 8.166 7.613 0.553 1 1 913 . 5 2 2 B 9 9 TYR HA H 107 4.713 5.211 -0.498 1 1 920 . 5 2 2 B 9 9 TYR C C 107 176.058 173.630 2.428 1 1 921 . 5 2 2 B 9 9 TYR CA C 107 58.165 55.490 2.675 1 1 922 . 5 2 2 B 9 9 TYR CB C 107 39.436 41.616 -2.180 1 1 925 . 5 2 2 B 9 9 TYR N N 107 123.598 116.177 7.421 1 1 926 . 5 2 2 B 10 10 THR H H 108 7.961 8.862 -0.901 1 1 927 . 5 2 2 B 10 10 THR HA H 108 4.433 4.991 -0.558 1 1 932 . 5 2 2 B 10 10 THR C C 108 174.459 173.891 0.568 1 1 933 . 5 2 2 B 10 10 THR CA C 108 62.061 61.290 0.771 1 1 934 . 5 2 2 B 10 10 THR CB C 108 70.608 72.428 -1.820 1 1 936 . 5 2 2 B 10 10 THR N N 108 115.642 114.422 1.220 1 1 937 . 5 2 2 B 11 11 SER H H 109 8.211 9.622 -1.411 1 1 938 . 5 2 2 B 11 11 SER HA H 109 4.507 4.450 0.057 1 1 941 . 5 2 2 B 11 11 SER C C 109 174.504 174.173 0.331 1 1 942 . 5 2 2 B 11 11 SER CA C 109 58.919 58.551 0.368 1 1 943 . 5 2 2 B 11 11 SER CB C 109 64.198 63.293 0.905 1 1 944 . 5 2 2 B 11 11 SER N N 109 117.260 118.909 -1.649 1 1 945 . 5 2 2 B 12 12 ASP H H 110 8.351 8.282 0.069 1 1 946 . 5 2 2 B 12 12 ASP HA H 110 4.631 4.701 -0.070 1 1 949 . 5 2 2 B 12 12 ASP C C 110 176.058 176.244 -0.186 1 1 950 . 5 2 2 B 12 12 ASP CA C 110 55.022 55.204 -0.182 1 1 951 . 5 2 2 B 12 12 ASP CB C 110 41.825 43.516 -1.691 1 1 952 . 5 2 2 B 12 12 ASP N N 110 122.020 118.646 3.374 1 1 953 . 5 2 2 B 13 13 ASN H H 111 8.230 8.411 -0.181 1 1 954 . 5 2 2 B 13 13 ASN HA H 111 4.726 4.812 -0.086 1 1 957 . 5 2 2 B 13 13 ASN C C 111 175.030 174.812 0.218 1 1 958 . 5 2 2 B 13 13 ASN CA C 111 53.765 53.818 -0.053 1 1 959 . 5 2 2 B 13 13 ASN CB C 111 39.562 38.949 0.613 1 1 960 . 5 2 2 B 13 13 ASN N N 111 118.317 117.706 0.611 1 1 961 . 5 2 2 B 14 14 TYR H H 112 8.101 7.624 0.477 1 1 962 . 5 2 2 B 14 14 TYR HA H 112 4.638 4.646 -0.008 1 1 969 . 5 2 2 B 14 14 TYR C C 112 176.081 176.640 -0.559 1 1 970 . 5 2 2 B 14 14 TYR CA C 112 58.793 58.697 0.096 1 1 971 . 5 2 2 B 14 14 TYR CB C 112 39.436 40.012 -0.576 1 1 974 . 5 2 2 B 14 14 TYR N N 112 120.850 121.608 -0.758 1 1 975 . 5 2 2 B 15 15 THR H H 113 7.879 7.910 -0.031 1 1 976 . 5 2 2 B 15 15 THR HA H 113 4.284 4.329 -0.045 1 1 981 . 5 2 2 B 15 15 THR C C 113 174.413 175.017 -0.604 1 1 982 . 5 2 2 B 15 15 THR CA C 113 62.187 61.610 0.577 1 1 983 . 5 2 2 B 15 15 THR CB C 113 70.341 68.585 1.756 1 1 985 . 5 2 2 B 15 15 THR N N 113 116.126 115.946 0.180 1 1 986 . 5 2 2 B 16 16 GLU H H 114 8.253 8.065 0.188 1 1 987 . 5 2 2 B 16 16 GLU HA H 114 4.256 4.362 -0.106 1 1 992 . 5 2 2 B 16 16 GLU C C 114 176.766 176.771 -0.005 1 1 993 . 5 2 2 B 16 16 GLU CA C 114 57.410 56.471 0.939 1 1 994 . 5 2 2 B 16 16 GLU CB C 114 30.620 28.871 1.749 1 1 996 . 5 2 2 B 16 16 GLU N N 114 123.052 121.934 1.118 1 1 997 . 5 2 2 B 17 17 GLU H H 115 8.331 8.594 -0.263 1 1 998 . 5 2 2 B 17 17 GLU HA H 115 4.292 4.513 -0.221 1 1 1003 . 5 2 2 B 17 17 GLU C C 115 176.880 176.100 0.780 1 1 1004 . 5 2 2 B 17 17 GLU CA C 115 57.410 56.817 0.593 1 1 1005 . 5 2 2 B 17 17 GLU CB C 115 30.525 32.028 -1.503 1 1 1007 . 5 2 2 B 17 17 GLU N N 115 121.688 120.051 1.637 1 1 1008 . 5 2 2 B 18 18 MET H H 116 8.317 8.173 0.144 1 1 1009 . 5 2 2 B 18 18 MET HA H 116 4.490 5.254 -0.764 1 1 1014 . 5 2 2 B 18 18 MET C C 116 177.086 175.240 1.846 1 1 1015 . 5 2 2 B 18 18 MET CA C 116 56.279 54.710 1.569 1 1 1016 . 5 2 2 B 18 18 MET CB C 116 33.026 36.437 -3.411 1 1 1017 . 5 2 2 B 18 18 MET N N 116 121.270 119.308 1.962 1 1 1018 . 5 2 2 B 19 19 GLY H H 117 8.320 8.507 -0.187 1 1 1019 . 5 2 2 B 19 19 GLY HA2 H 117 4.054 4.129 -0.075 1 1 1020 . 5 2 2 B 19 19 GLY HA3 H 117 4.054 4.155 -0.101 1 1 1021 . 5 2 2 B 19 19 GLY C C 117 174.481 172.575 1.906 1 1 1022 . 5 2 2 B 19 19 GLY CA C 117 45.847 45.534 0.313 1 1 1023 . 5 2 2 B 19 19 GLY N N 117 110.055 110.417 -0.362 1 1 1024 . 5 2 2 B 20 20 SER H H 118 8.230 8.757 -0.527 1 1 1025 . 5 2 2 B 20 20 SER HA H 118 4.476 4.967 -0.491 1 1 1028 . 5 2 2 B 20 20 SER C C 118 175.327 174.244 1.083 1 1 1029 . 5 2 2 B 20 20 SER CA C 118 58.919 58.517 0.402 1 1 1030 . 5 2 2 B 20 20 SER CB C 118 64.575 64.159 0.416 1 1 1031 . 5 2 2 B 20 20 SER N N 118 115.664 121.510 -5.846 1 1 1032 . 5 2 2 B 21 21 GLY H H 119 8.371 8.555 -0.184 1 1 1033 . 5 2 2 B 21 21 GLY HA2 H 119 3.951 4.463 -0.512 1 1 1034 . 5 2 2 B 21 21 GLY HA3 H 119 3.951 4.465 -0.514 1 1 1035 . 5 2 2 B 21 21 GLY C C 119 174.002 171.573 2.429 1 1 1036 . 5 2 2 B 21 21 GLY CA C 119 45.721 45.140 0.581 1 1 1037 . 5 2 2 B 21 21 GLY N N 119 110.872 109.742 1.130 1 1 1068 . 5 2 2 B 25 25 SER H H 123 8.155 8.431 -0.276 1 1 1069 . 5 2 2 B 25 25 SER HA H 123 4.404 4.186 0.218 1 1 1072 . 5 2 2 B 25 25 SER C C 123 175.075 173.290 1.785 1 1 1073 . 5 2 2 B 25 25 SER CA C 123 59.347 59.578 -0.231 1 1 1074 . 5 2 2 B 25 25 SER CB C 123 63.879 60.917 2.962 1 1 1075 . 5 2 2 B 25 25 SER N N 123 116.126 114.122 2.004 1 1 1076 . 5 2 2 B 26 26 MET H H 124 8.221 7.247 0.974 1 1 1077 . 5 2 2 B 26 26 MET HA H 124 4.482 4.751 -0.269 1 1 1082 . 5 2 2 B 26 26 MET C C 124 176.355 174.185 2.170 1 1 1083 . 5 2 2 B 26 26 MET CA C 124 56.279 55.045 1.234 1 1 1084 . 5 2 2 B 26 26 MET CB C 124 32.900 35.303 -2.403 1 1 1086 . 5 2 2 B 26 26 MET N N 124 121.210 120.170 1.040 1 1 1087 . 5 2 2 B 27 27 LYS H H 125 8.036 8.977 -0.941 1 1 1088 . 5 2 2 B 27 27 LYS HA H 125 4.333 4.893 -0.560 1 1 1097 . 5 2 2 B 27 27 LYS C C 125 176.355 175.227 1.128 1 1 1098 . 5 2 2 B 27 27 LYS CA C 125 56.656 54.160 2.496 1 1 1099 . 5 2 2 B 27 27 LYS CB C 125 33.529 36.964 -3.435 1 1 1103 . 5 2 2 B 27 27 LYS N N 125 121.457 125.602 -4.145 1 1 1104 . 5 2 2 B 28 28 GLU H H 126 8.205 8.573 -0.368 1 1 1105 . 5 2 2 B 28 28 GLU N N 126 122.740 119.007 3.733 1 1 1106 . 5 2 2 B 29 29 PRO HA H 127 4.377 4.596 -0.219 1 1 1113 . 5 2 2 B 29 29 PRO C C 127 176.812 177.337 -0.525 1 1 1114 . 5 2 2 B 29 29 PRO CA C 127 63.821 62.862 0.959 1 1 1115 . 5 2 2 B 29 29 PRO CB C 127 32.272 31.701 0.571 1 1 1118 . 5 2 2 B 30 30 ALA H H 128 8.273 8.746 -0.473 1 1 1119 . 5 2 2 B 30 30 ALA HA H 128 4.287 4.083 0.204 1 1 1123 . 5 2 2 B 30 30 ALA C C 128 177.589 177.815 -0.226 1 1 1124 . 5 2 2 B 30 30 ALA CA C 128 52.873 55.242 -2.369 1 1 1125 . 5 2 2 B 30 30 ALA CB C 128 19.703 18.947 0.756 1 1 1126 . 5 2 2 B 30 30 ALA N N 128 123.577 128.193 -4.616 1 1 1127 . 5 2 2 B 31 31 PHE H H 129 8.019 8.216 -0.197 1 1 1128 . 5 2 2 B 31 31 PHE HA H 129 4.621 4.121 0.500 1 1 1135 . 5 2 2 B 31 31 PHE C C 129 175.624 174.554 1.070 1 1 1136 . 5 2 2 B 31 31 PHE CA C 129 58.039 58.771 -0.732 1 1 1137 . 5 2 2 B 31 31 PHE CB C 129 40.055 37.809 2.246 1 1 1140 . 5 2 2 B 31 31 PHE N N 129 118.994 116.843 2.151 1 1 1141 . 5 2 2 B 32 32 ARG H H 130 8.042 7.612 0.430 1 1 1142 . 5 2 2 B 32 32 ARG HA H 130 4.332 4.361 -0.029 1 1 1149 . 5 2 2 B 32 32 ARG C C 130 175.875 175.068 0.807 1 1 1150 . 5 2 2 B 32 32 ARG CA C 130 56.154 54.317 1.837 1 1 1151 . 5 2 2 B 32 32 ARG CB C 130 31.643 30.616 1.027 1 1 1154 . 5 2 2 B 32 32 ARG N N 130 122.929 119.349 3.580 1 1 1155 . 5 2 2 B 33 33 GLU H H 131 8.389 8.380 0.009 1 1 1156 . 5 2 2 B 33 33 GLU HA H 131 4.276 4.183 0.093 1 1 1161 . 5 2 2 B 33 33 GLU C C 131 176.766 177.188 -0.422 1 1 1162 . 5 2 2 B 33 33 GLU CA C 131 57.285 56.754 0.531 1 1 1163 . 5 2 2 B 33 33 GLU CB C 131 30.512 29.932 0.580 1 1 1165 . 5 2 2 B 33 33 GLU N N 131 122.719 122.981 -0.262 1 1 1166 . 5 2 2 B 34 34 GLU H H 132 8.502 9.013 -0.511 1 1 1167 . 5 2 2 B 34 34 GLU HA H 132 4.275 4.047 0.228 1 1 1172 . 5 2 2 B 34 34 GLU C C 132 176.560 175.694 0.866 1 1 1173 . 5 2 2 B 34 34 GLU CA C 132 57.400 57.855 -0.455 1 1 1174 . 5 2 2 B 34 34 GLU CB C 132 30.526 29.424 1.102 1 1 1176 . 5 2 2 B 34 34 GLU N N 132 122.122 122.786 -0.664 1 1 1177 . 5 2 2 B 35 35 ASN H H 133 8.362 7.485 0.877 1 1 1178 . 5 2 2 B 35 35 ASN HA H 133 4.693 4.847 -0.154 1 1 1181 . 5 2 2 B 35 35 ASN C C 133 175.258 174.050 1.208 1 1 1182 . 5 2 2 B 35 35 ASN CA C 133 53.765 52.094 1.671 1 1 1183 . 5 2 2 B 35 35 ASN CB C 133 39.562 37.267 2.295 1 1 1184 . 5 2 2 B 35 35 ASN N N 133 119.552 119.103 0.449 1 1 1185 . 5 2 2 B 36 36 ALA H H 134 8.155 7.628 0.527 1 1 1186 . 5 2 2 B 36 36 ALA HA H 134 4.289 4.685 -0.396 1 1 1190 . 5 2 2 B 36 36 ALA C C 134 177.520 175.405 2.115 1 1 1191 . 5 2 2 B 36 36 ALA CA C 134 52.873 52.356 0.517 1 1 1192 . 5 2 2 B 36 36 ALA CB C 134 19.703 19.275 0.428 1 1 1193 . 5 2 2 B 36 36 ALA N N 134 124.376 126.246 -1.870 1 1 1194 . 5 2 2 B 37 37 ASN H H 135 8.210 9.293 -1.083 1 1 1195 . 5 2 2 B 37 37 ASN HA H 135 4.694 5.290 -0.596 1 1 1198 . 5 2 2 B 37 37 ASN C C 135 175.144 174.032 1.112 1 1 1199 . 5 2 2 B 37 37 ASN CA C 135 53.640 51.552 2.088 1 1 1200 . 5 2 2 B 37 37 ASN CB C 135 39.311 39.246 0.065 1 1 1201 . 5 2 2 B 37 37 ASN N N 135 117.103 123.136 -6.033 1 1 1202 . 5 2 2 B 38 38 PHE H H 136 7.997 9.222 -1.225 1 1 1203 . 5 2 2 B 38 38 PHE HA H 136 4.659 5.065 -0.406 1 1 1210 . 5 2 2 B 38 38 PHE C C 136 175.601 173.789 1.812 1 1 1211 . 5 2 2 B 38 38 PHE CA C 136 58.165 55.796 2.369 1 1 1212 . 5 2 2 B 38 38 PHE CB C 136 39.939 39.370 0.569 1 1 1215 . 5 2 2 B 38 38 PHE N N 136 120.229 128.431 -8.202 1 1 1216 . 5 2 2 B 39 39 ASN H H 137 8.272 8.358 -0.086 1 1 1217 . 5 2 2 B 39 39 ASN HA H 137 4.733 5.096 -0.363 1 1 1220 . 5 2 2 B 39 39 ASN C C 137 174.047 173.183 0.864 1 1 1221 . 5 2 2 B 39 39 ASN CA C 137 53.891 52.613 1.278 1 1 1222 . 5 2 2 B 39 39 ASN CB C 137 39.688 39.661 0.027 1 1 1223 . 5 2 2 B 39 39 ASN N N 137 120.594 120.478 0.116 1 1 3 . 6 1 1 A 4 4 PRO HA H 2 4.509 4.470 0.039 1 1 10 . 6 1 1 A 4 4 PRO C C 2 177.132 176.537 0.595 1 1 11 . 6 1 1 A 4 4 PRO CA C 2 63.529 62.740 0.789 1 1 12 . 6 1 1 A 4 4 PRO CB C 2 32.476 32.088 0.388 1 1 15 . 6 1 1 A 5 5 VAL H H 3 8.201 8.087 0.114 1 1 16 . 6 1 1 A 5 5 VAL HA H 3 4.152 4.397 -0.245 1 1 24 . 6 1 1 A 5 5 VAL C C 3 176.423 176.099 0.324 1 1 25 . 6 1 1 A 5 5 VAL CA C 3 62.873 61.120 1.753 1 1 26 . 6 1 1 A 5 5 VAL CB C 3 33.455 31.809 1.646 1 1 28 . 6 1 1 A 5 5 VAL N N 3 120.488 115.559 4.929 1 1 29 . 6 1 1 A 6 6 SER H H 4 8.276 7.617 0.659 1 1 30 . 6 1 1 A 6 6 SER HA H 4 4.494 4.206 0.288 1 1 33 . 6 1 1 A 6 6 SER C C 4 174.687 174.063 0.624 1 1 34 . 6 1 1 A 6 6 SER CA C 4 58.375 59.902 -1.527 1 1 35 . 6 1 1 A 6 6 SER CB C 4 64.295 63.270 1.025 1 1 36 . 6 1 1 A 6 6 SER N N 4 119.000 120.253 -1.253 1 1 37 . 6 1 1 A 7 7 LEU H H 5 8.238 8.153 0.085 1 1 38 . 6 1 1 A 7 7 LEU HA H 5 4.406 4.593 -0.187 1 1 44 . 6 1 1 A 7 7 LEU C C 5 177.406 175.273 2.133 1 1 45 . 6 1 1 A 7 7 LEU CA C 5 55.766 54.544 1.222 1 1 46 . 6 1 1 A 7 7 LEU CB C 5 43.132 44.442 -1.310 1 1 48 . 6 1 1 A 7 7 LEU N N 5 124.704 127.166 -2.462 1 1 49 . 6 1 1 A 8 8 SER H H 6 8.148 9.000 -0.852 1 1 50 . 6 1 1 A 8 8 SER HA H 6 4.438 4.797 -0.359 1 1 53 . 6 1 1 A 8 8 SER C C 6 174.321 174.953 -0.632 1 1 54 . 6 1 1 A 8 8 SER CA C 6 58.718 59.560 -0.842 1 1 55 . 6 1 1 A 8 8 SER CB C 6 64.295 65.440 -1.145 1 1 56 . 6 1 1 A 8 8 SER N N 6 115.960 122.515 -6.555 1 1 57 . 6 1 1 A 9 9 TYR H H 7 7.954 7.475 0.479 1 1 58 . 6 1 1 A 9 9 TYR HA H 7 4.585 4.750 -0.165 1 1 65 . 6 1 1 A 9 9 TYR C C 7 175.532 175.993 -0.461 1 1 66 . 6 1 1 A 9 9 TYR CA C 7 58.335 57.537 0.798 1 1 67 . 6 1 1 A 9 9 TYR CB C 7 39.474 40.496 -1.022 1 1 70 . 6 1 1 A 9 9 TYR N N 7 121.884 114.370 7.514 1 1 71 . 6 1 1 A 10 10 ARG H H 8 8.117 7.184 0.933 1 1 72 . 6 1 1 A 10 10 ARG HA H 8 4.349 4.266 0.083 1 1 79 . 6 1 1 A 10 10 ARG C C 8 175.898 175.567 0.331 1 1 80 . 6 1 1 A 10 10 ARG CA C 8 56.048 55.991 0.057 1 1 81 . 6 1 1 A 10 10 ARG CB C 8 31.492 30.921 0.571 1 1 84 . 6 1 1 A 10 10 ARG N N 8 121.977 121.486 0.491 1 1 85 . 6 1 1 A 11 11 CYS H H 9 8.127 8.758 -0.631 1 1 86 . 6 1 1 A 11 11 CYS HA H 9 4.984 4.852 0.132 1 1 89 . 6 1 1 A 11 11 CYS C C 9 177.771 174.521 3.250 1 1 90 . 6 1 1 A 11 11 CYS CA C 9 53.192 54.994 -1.802 1 1 91 . 6 1 1 A 11 11 CYS CB C 9 40.897 42.832 -1.935 1 1 92 . 6 1 1 A 11 11 CYS N N 9 121.209 119.767 1.442 1 1 93 . 6 1 1 A 12 12 PRO HA H 10 4.321 4.359 -0.038 1 1 100 . 6 1 1 A 12 12 PRO CA C 10 65.478 64.142 1.336 1 1 101 . 6 1 1 A 12 12 PRO CB C 10 32.904 31.668 1.236 1 1 104 . 6 1 1 A 13 13 CYS H H 11 8.633 7.547 1.086 1 1 105 . 6 1 1 A 13 13 CYS C C 11 174.618 173.670 0.948 1 1 106 . 6 1 1 A 13 13 CYS N N 11 114.595 115.236 -0.641 1 1 107 . 6 1 1 A 14 14 ARG H H 12 8.236 8.663 -0.427 1 1 108 . 6 1 1 A 14 14 ARG HA H 12 4.067 4.023 0.044 1 1 115 . 6 1 1 A 14 14 ARG C C 12 175.098 175.167 -0.069 1 1 116 . 6 1 1 A 14 14 ARG CA C 12 57.370 57.733 -0.363 1 1 117 . 6 1 1 A 14 14 ARG CB C 12 31.631 30.681 0.950 1 1 120 . 6 1 1 A 14 14 ARG N N 12 122.779 127.139 -4.360 1 1 121 . 6 1 1 A 15 15 PHE H H 13 7.615 7.798 -0.183 1 1 122 . 6 1 1 A 15 15 PHE HA H 13 4.510 4.701 -0.191 1 1 129 . 6 1 1 A 15 15 PHE C C 13 174.162 174.976 -0.814 1 1 130 . 6 1 1 A 15 15 PHE CA C 13 56.289 55.876 0.413 1 1 131 . 6 1 1 A 15 15 PHE CB C 13 41.320 41.335 -0.015 1 1 134 . 6 1 1 A 15 15 PHE N N 13 116.797 116.327 0.470 1 1 135 . 6 1 1 A 16 16 PHE H H 14 8.125 8.081 0.044 1 1 136 . 6 1 1 A 16 16 PHE HA H 14 4.767 5.348 -0.581 1 1 143 . 6 1 1 A 16 16 PHE C C 14 175.441 175.769 -0.328 1 1 144 . 6 1 1 A 16 16 PHE CA C 14 55.767 55.455 0.312 1 1 145 . 6 1 1 A 16 16 PHE CB C 14 41.320 41.749 -0.429 1 1 148 . 6 1 1 A 16 16 PHE N N 14 118.930 119.962 -1.032 1 1 149 . 6 1 1 A 17 17 GLU H H 15 8.836 9.160 -0.324 1 1 150 . 6 1 1 A 17 17 GLU HA H 15 4.579 4.492 0.087 1 1 155 . 6 1 1 A 17 17 GLU C C 15 176.857 177.146 -0.289 1 1 156 . 6 1 1 A 17 17 GLU CA C 15 56.289 57.408 -1.119 1 1 157 . 6 1 1 A 17 17 GLU CB C 15 31.173 30.085 1.088 1 1 159 . 6 1 1 A 17 17 GLU N N 15 122.929 121.663 1.266 1 1 160 . 6 1 1 A 18 18 SER H H 16 8.751 8.930 -0.179 1 1 161 . 6 1 1 A 18 18 SER HA H 16 4.762 4.545 0.217 1 1 164 . 6 1 1 A 18 18 SER C C 16 177.497 174.732 2.765 1 1 165 . 6 1 1 A 18 18 SER CA C 16 59.328 58.956 0.372 1 1 166 . 6 1 1 A 18 18 SER CB C 16 64.515 64.420 0.095 1 1 167 . 6 1 1 A 18 18 SER N N 16 118.860 116.285 2.575 1 1 168 . 6 1 1 A 19 19 HIS H H 17 8.761 8.225 0.536 1 1 169 . 6 1 1 A 19 19 HIS HA H 17 4.859 4.802 0.057 1 1 174 . 6 1 1 A 19 19 HIS C C 17 174.618 174.368 0.250 1 1 175 . 6 1 1 A 19 19 HIS CA C 17 56.449 54.600 1.849 1 1 176 . 6 1 1 A 19 19 HIS CB C 17 29.870 27.480 2.390 1 1 179 . 6 1 1 A 19 19 HIS N N 17 120.535 118.940 1.595 1 1 180 . 6 1 1 A 20 20 VAL H H 18 7.157 8.585 -1.428 1 1 181 . 6 1 1 A 20 20 VAL HA H 18 4.181 4.492 -0.311 1 1 189 . 6 1 1 A 20 20 VAL C C 18 174.436 175.724 -1.288 1 1 190 . 6 1 1 A 20 20 VAL CA C 18 62.167 61.177 0.990 1 1 191 . 6 1 1 A 20 20 VAL CB C 18 34.426 34.089 0.337 1 1 193 . 6 1 1 A 20 20 VAL N N 18 120.872 122.597 -1.725 1 1 194 . 6 1 1 A 21 21 ALA H H 19 8.521 8.779 -0.258 1 1 195 . 6 1 1 A 21 21 ALA HA H 19 4.372 4.224 0.148 1 1 199 . 6 1 1 A 21 21 ALA C C 19 177.657 178.008 -0.351 1 1 200 . 6 1 1 A 21 21 ALA CA C 19 51.193 52.332 -1.139 1 1 201 . 6 1 1 A 21 21 ALA CB C 19 19.790 19.130 0.660 1 1 202 . 6 1 1 A 21 21 ALA N N 19 131.339 128.816 2.523 1 1 203 . 6 1 1 A 22 22 ARG H H 20 7.790 8.185 -0.395 1 1 204 . 6 1 1 A 22 22 ARG HA H 20 2.445 2.501 -0.056 1 1 211 . 6 1 1 A 22 22 ARG C C 20 178.365 177.051 1.314 1 1 212 . 6 1 1 A 22 22 ARG CA C 20 59.379 58.171 1.208 1 1 213 . 6 1 1 A 22 22 ARG CB C 20 29.572 29.232 0.340 1 1 216 . 6 1 1 A 22 22 ARG N N 20 124.365 123.163 1.202 1 1 217 . 6 1 1 A 23 23 ALA H H 21 8.120 7.534 0.586 1 1 218 . 6 1 1 A 23 23 ALA HA H 21 4.060 4.129 -0.069 1 1 222 . 6 1 1 A 23 23 ALA C C 21 178.000 177.903 0.097 1 1 223 . 6 1 1 A 23 23 ALA CA C 21 54.100 53.086 1.014 1 1 224 . 6 1 1 A 23 23 ALA CB C 21 18.713 18.776 -0.063 1 1 225 . 6 1 1 A 23 23 ALA N N 21 117.156 120.564 -3.408 1 1 226 . 6 1 1 A 24 24 ASN H H 22 7.717 7.657 0.060 1 1 227 . 6 1 1 A 24 24 ASN HA H 22 5.010 4.724 0.286 1 1 232 . 6 1 1 A 24 24 ASN C C 22 174.938 174.778 0.160 1 1 233 . 6 1 1 A 24 24 ASN CA C 22 52.869 53.086 -0.217 1 1 234 . 6 1 1 A 24 24 ASN CB C 22 40.573 38.833 1.740 1 1 235 . 6 1 1 A 24 24 ASN N N 22 112.819 115.596 -2.777 1 1 237 . 6 1 1 A 25 25 VAL H H 23 7.489 7.443 0.046 1 1 238 . 6 1 1 A 25 25 VAL HA H 23 4.888 4.286 0.602 1 1 246 . 6 1 1 A 25 25 VAL C C 23 175.829 175.621 0.208 1 1 247 . 6 1 1 A 25 25 VAL CA C 23 59.870 60.152 -0.282 1 1 248 . 6 1 1 A 25 25 VAL CB C 23 35.396 33.567 1.829 1 1 251 . 6 1 1 A 25 25 VAL N N 23 119.721 117.182 2.539 1 1 252 . 6 1 1 A 26 26 LYS H H 24 9.479 9.343 0.136 1 1 253 . 6 1 1 A 26 26 LYS HA H 24 4.353 4.346 0.007 1 1 262 . 6 1 1 A 26 26 LYS C C 24 176.606 176.389 0.217 1 1 263 . 6 1 1 A 26 26 LYS CA C 24 58.977 57.066 1.911 1 1 264 . 6 1 1 A 26 26 LYS CB C 24 34.567 33.224 1.343 1 1 268 . 6 1 1 A 26 26 LYS N N 24 127.843 122.747 5.096 1 1 269 . 6 1 1 A 27 27 HIS H H 25 7.237 7.528 -0.291 1 1 270 . 6 1 1 A 27 27 HIS HA H 25 4.979 4.901 0.078 1 1 275 . 6 1 1 A 27 27 HIS C C 25 178.434 172.418 6.016 1 1 276 . 6 1 1 A 27 27 HIS CA C 25 55.406 54.705 0.701 1 1 277 . 6 1 1 A 27 27 HIS CB C 25 32.480 31.300 1.180 1 1 280 . 6 1 1 A 27 27 HIS N N 25 109.556 115.177 -5.621 1 1 281 . 6 1 1 A 28 28 LEU H H 26 8.189 8.787 -0.598 1 1 282 . 6 1 1 A 28 28 LEU HA H 26 5.190 5.001 0.189 1 1 292 . 6 1 1 A 28 28 LEU C C 26 175.510 175.064 0.446 1 1 293 . 6 1 1 A 28 28 LEU CA C 26 53.480 53.228 0.252 1 1 294 . 6 1 1 A 28 28 LEU CB C 26 45.235 44.339 0.896 1 1 298 . 6 1 1 A 28 28 LEU N N 26 117.260 119.770 -2.510 1 1 299 . 6 1 1 A 29 29 LYS H H 27 9.572 9.569 0.003 1 1 300 . 6 1 1 A 29 29 LYS HA H 27 5.372 5.114 0.258 1 1 309 . 6 1 1 A 29 29 LYS C C 27 174.801 174.732 0.069 1 1 310 . 6 1 1 A 29 29 LYS CA C 27 55.165 54.742 0.423 1 1 311 . 6 1 1 A 29 29 LYS CB C 27 35.253 35.273 -0.020 1 1 315 . 6 1 1 A 29 29 LYS N N 27 123.488 125.846 -2.358 1 1 316 . 6 1 1 A 30 30 ILE H H 28 9.136 9.058 0.078 1 1 317 . 6 1 1 A 30 30 ILE HA H 28 4.926 5.001 -0.075 1 1 327 . 6 1 1 A 30 30 ILE C C 28 176.949 175.227 1.722 1 1 328 . 6 1 1 A 30 30 ILE CA C 28 60.542 59.297 1.245 1 1 329 . 6 1 1 A 30 30 ILE CB C 28 39.600 39.148 0.452 1 1 333 . 6 1 1 A 30 30 ILE N N 28 123.846 128.290 -4.444 1 1 334 . 6 1 1 A 31 31 LEU H H 29 8.830 9.597 -0.767 1 1 335 . 6 1 1 A 31 31 LEU HA H 29 4.535 5.117 -0.582 1 1 344 . 6 1 1 A 31 31 LEU C C 29 176.012 175.493 0.519 1 1 345 . 6 1 1 A 31 31 LEU CA C 29 55.366 53.121 2.245 1 1 346 . 6 1 1 A 31 31 LEU CB C 29 43.180 45.255 -2.075 1 1 349 . 6 1 1 A 31 31 LEU N N 29 128.649 126.980 1.669 1 1 350 . 6 1 1 A 32 32 ASN H H 30 8.216 8.731 -0.515 1 1 351 . 6 1 1 A 32 32 ASN HA H 30 5.013 4.960 0.053 1 1 356 . 6 1 1 A 32 32 ASN C C 30 174.664 174.363 0.301 1 1 357 . 6 1 1 A 32 32 ASN CA C 30 52.517 52.057 0.460 1 1 358 . 6 1 1 A 32 32 ASN CB C 30 38.776 39.210 -0.434 1 1 359 . 6 1 1 A 32 32 ASN N N 30 120.791 123.606 -2.815 1 1 361 . 6 1 1 A 33 33 THR H H 31 7.883 8.493 -0.610 1 1 362 . 6 1 1 A 33 33 THR HA H 31 4.842 4.737 0.105 1 1 367 . 6 1 1 A 33 33 THR CA C 31 58.369 58.773 -0.404 1 1 368 . 6 1 1 A 33 33 THR CB C 31 70.018 71.100 -1.082 1 1 370 . 6 1 1 A 33 33 THR N N 31 115.811 120.743 -4.932 1 1 371 . 6 1 1 A 34 34 PRO HA H 32 4.317 4.279 0.038 1 1 378 . 6 1 1 A 34 34 PRO CA C 32 65.164 65.876 -0.712 1 1 379 . 6 1 1 A 34 34 PRO CB C 32 32.484 31.672 0.812 1 1 382 . 6 1 1 A 35 35 ASN H H 33 8.254 8.432 -0.178 1 1 383 . 6 1 1 A 35 35 ASN HA H 33 4.651 4.596 0.055 1 1 388 . 6 1 1 A 35 35 ASN C C 33 174.710 174.815 -0.105 1 1 389 . 6 1 1 A 35 35 ASN CA C 33 54.532 54.494 0.038 1 1 390 . 6 1 1 A 35 35 ASN CB C 33 39.167 37.679 1.488 1 1 391 . 6 1 1 A 35 35 ASN N N 33 120.081 113.908 6.173 1 1 393 . 6 1 1 A 36 36 CYS H H 34 7.548 7.827 -0.279 1 1 394 . 6 1 1 A 36 36 CYS HA H 34 4.694 4.961 -0.267 1 1 397 . 6 1 1 A 36 36 CYS C C 34 173.865 173.643 0.222 1 1 398 . 6 1 1 A 36 36 CYS CA C 34 55.447 54.972 0.475 1 1 399 . 6 1 1 A 36 36 CYS CB C 34 45.228 45.918 -0.690 1 1 400 . 6 1 1 A 36 36 CYS N N 34 117.076 115.786 1.290 1 1 401 . 6 1 1 A 37 37 ALA H H 35 8.472 8.621 -0.149 1 1 402 . 6 1 1 A 37 37 ALA HA H 35 4.236 4.272 -0.036 1 1 406 . 6 1 1 A 37 37 ALA C C 35 176.423 176.973 -0.550 1 1 407 . 6 1 1 A 37 37 ALA CA C 35 53.537 54.916 -1.379 1 1 408 . 6 1 1 A 37 37 ALA CB C 35 19.202 18.967 0.235 1 1 409 . 6 1 1 A 37 37 ALA N N 35 125.153 125.149 0.004 1 1 410 . 6 1 1 A 38 38 CYS H H 36 8.316 8.006 0.310 1 1 411 . 6 1 1 A 38 38 CYS HA H 36 4.196 4.750 -0.554 1 1 414 . 6 1 1 A 38 38 CYS C C 36 173.705 172.680 1.025 1 1 415 . 6 1 1 A 38 38 CYS CA C 36 58.616 57.742 0.874 1 1 416 . 6 1 1 A 38 38 CYS CB C 36 45.705 30.754 14.951 1 1 417 . 6 1 1 A 38 38 CYS N N 36 118.837 114.148 4.689 1 1 418 . 6 1 1 A 39 39 GLN H H 37 8.921 8.826 0.095 1 1 419 . 6 1 1 A 39 39 GLN HA H 37 4.609 4.965 -0.356 1 1 426 . 6 1 1 A 39 39 GLN C C 37 173.636 173.769 -0.133 1 1 427 . 6 1 1 A 39 39 GLN CA C 37 54.603 54.738 -0.135 1 1 428 . 6 1 1 A 39 39 GLN CB C 37 31.761 32.291 -0.530 1 1 430 . 6 1 1 A 39 39 GLN N N 37 128.567 124.874 3.693 1 1 432 . 6 1 1 A 40 40 ILE H H 38 8.893 8.484 0.409 1 1 433 . 6 1 1 A 40 40 ILE HA H 38 5.068 4.775 0.293 1 1 443 . 6 1 1 A 40 40 ILE C C 38 174.390 175.137 -0.747 1 1 444 . 6 1 1 A 40 40 ILE CA C 38 60.582 60.019 0.563 1 1 445 . 6 1 1 A 40 40 ILE CB C 38 40.048 39.853 0.195 1 1 449 . 6 1 1 A 40 40 ILE N N 38 123.962 127.714 -3.752 1 1 450 . 6 1 1 A 41 41 VAL H H 39 9.120 9.728 -0.608 1 1 451 . 6 1 1 A 41 41 VAL HA H 39 4.845 4.866 -0.021 1 1 459 . 6 1 1 A 41 41 VAL C C 39 175.487 174.914 0.573 1 1 460 . 6 1 1 A 41 41 VAL CA C 39 59.980 61.042 -1.062 1 1 461 . 6 1 1 A 41 41 VAL CB C 39 35.868 34.090 1.778 1 1 464 . 6 1 1 A 41 41 VAL N N 39 126.354 127.162 -0.808 1 1 465 . 6 1 1 A 42 42 ALA H H 40 9.513 9.613 -0.100 1 1 466 . 6 1 1 A 42 42 ALA HA H 40 5.154 5.320 -0.166 1 1 470 . 6 1 1 A 42 42 ALA C C 40 175.944 174.988 0.956 1 1 471 . 6 1 1 A 42 42 ALA CA C 40 50.591 49.923 0.668 1 1 472 . 6 1 1 A 42 42 ALA CB C 40 22.432 22.273 0.159 1 1 473 . 6 1 1 A 42 42 ALA N N 40 128.406 129.308 -0.902 1 1 474 . 6 1 1 A 43 43 ARG H H 41 7.717 7.868 -0.151 1 1 475 . 6 1 1 A 43 43 ARG HA H 41 4.979 4.599 0.380 1 1 482 . 6 1 1 A 43 43 ARG C C 41 175.510 175.463 0.047 1 1 483 . 6 1 1 A 43 43 ARG CA C 41 54.162 54.893 -0.731 1 1 484 . 6 1 1 A 43 43 ARG CB C 41 31.200 31.505 -0.305 1 1 487 . 6 1 1 A 43 43 ARG N N 41 121.663 122.812 -1.149 1 1 488 . 6 1 1 A 44 44 LEU H H 42 9.163 8.565 0.598 1 1 489 . 6 1 1 A 44 44 LEU HA H 42 5.033 4.490 0.543 1 1 499 . 6 1 1 A 44 44 LEU C C 42 177.840 177.787 0.053 1 1 500 . 6 1 1 A 44 44 LEU CA C 42 54.724 55.469 -0.745 1 1 501 . 6 1 1 A 44 44 LEU CB C 42 41.712 41.940 -0.228 1 1 505 . 6 1 1 A 44 44 LEU N N 42 129.087 128.185 0.902 1 1 506 . 6 1 1 A 45 45 LYS H H 43 8.417 9.032 -0.615 1 1 507 . 6 1 1 A 45 45 LYS HA H 43 3.950 4.226 -0.276 1 1 516 . 6 1 1 A 45 45 LYS CA C 43 59.016 58.447 0.569 1 1 517 . 6 1 1 A 45 45 LYS CB C 43 34.102 32.856 1.246 1 1 520 . 6 1 1 A 45 45 LYS N N 43 119.674 122.005 -2.331 1 1 521 . 6 1 1 A 48 48 ASN HA H 46 4.723 4.691 0.032 1 1 526 . 6 1 1 A 48 48 ASN C C 46 175.098 175.519 -0.421 1 1 527 . 6 1 1 A 48 48 ASN CA C 46 54.764 55.609 -0.845 1 1 528 . 6 1 1 A 48 48 ASN CB C 46 39.265 39.727 -0.462 1 1 530 . 6 1 1 A 49 49 ARG H H 47 7.919 7.592 0.327 1 1 531 . 6 1 1 A 49 49 ARG HA H 47 4.353 4.557 -0.204 1 1 538 . 6 1 1 A 49 49 ARG C C 47 175.601 173.837 1.764 1 1 539 . 6 1 1 A 49 49 ARG CA C 47 57.051 55.051 2.000 1 1 540 . 6 1 1 A 49 49 ARG CB C 47 32.121 31.506 0.615 1 1 543 . 6 1 1 A 49 49 ARG N N 47 119.826 113.144 6.682 1 1 544 . 6 1 1 A 50 50 GLN H H 48 8.547 8.612 -0.065 1 1 545 . 6 1 1 A 50 50 GLN HA H 48 5.456 4.919 0.537 1 1 552 . 6 1 1 A 50 50 GLN C C 48 175.578 175.285 0.293 1 1 553 . 6 1 1 A 50 50 GLN CA C 48 55.125 54.695 0.430 1 1 554 . 6 1 1 A 50 50 GLN CB C 48 32.121 30.189 1.932 1 1 556 . 6 1 1 A 50 50 GLN N N 48 120.767 118.634 2.133 1 1 558 . 6 1 1 A 51 51 VAL H H 49 8.630 9.008 -0.378 1 1 559 . 6 1 1 A 51 51 VAL HA H 49 4.826 4.742 0.084 1 1 567 . 6 1 1 A 51 51 VAL C C 49 175.258 174.877 0.381 1 1 568 . 6 1 1 A 51 51 VAL CA C 49 59.338 59.893 -0.555 1 1 569 . 6 1 1 A 51 51 VAL CB C 49 36.155 33.872 2.283 1 1 572 . 6 1 1 A 51 51 VAL N N 49 116.678 117.546 -0.868 1 1 573 . 6 1 1 A 52 52 CYS H H 50 9.100 9.025 0.075 1 1 574 . 6 1 1 A 52 52 CYS HA H 50 5.301 5.291 0.010 1 1 577 . 6 1 1 A 52 52 CYS C C 50 174.527 173.325 1.202 1 1 578 . 6 1 1 A 52 52 CYS CA C 50 58.054 55.442 2.612 1 1 579 . 6 1 1 A 52 52 CYS CB C 50 43.375 43.093 0.282 1 1 580 . 6 1 1 A 52 52 CYS N N 50 124.549 121.767 2.782 1 1 581 . 6 1 1 A 53 53 ILE H H 51 8.485 9.491 -1.006 1 1 582 . 6 1 1 A 53 53 ILE HA H 51 4.964 4.616 0.348 1 1 592 . 6 1 1 A 53 53 ILE C C 51 173.019 175.037 -2.018 1 1 593 . 6 1 1 A 53 53 ILE CA C 51 58.897 60.094 -1.197 1 1 594 . 6 1 1 A 53 53 ILE CB C 51 42.201 40.229 1.972 1 1 598 . 6 1 1 A 53 53 ILE N N 51 122.581 125.720 -3.139 1 1 599 . 6 1 1 A 54 54 ASP H H 52 7.661 7.903 -0.242 1 1 600 . 6 1 1 A 54 54 ASP HA H 52 3.642 3.650 -0.008 1 1 603 . 6 1 1 A 54 54 ASP CA C 52 51.574 51.408 0.166 1 1 604 . 6 1 1 A 54 54 ASP CB C 52 42.515 41.545 0.970 1 1 605 . 6 1 1 A 54 54 ASP N N 52 125.772 127.336 -1.564 1 1 606 . 6 1 1 A 55 55 PRO HA H 53 4.025 4.144 -0.119 1 1 613 . 6 1 1 A 55 55 PRO C C 53 176.126 177.650 -1.524 1 1 614 . 6 1 1 A 55 55 PRO CA C 53 63.993 64.285 -0.292 1 1 615 . 6 1 1 A 55 55 PRO CB C 53 33.002 31.821 1.181 1 1 618 . 6 1 1 A 56 56 LYS H H 54 7.931 8.204 -0.273 1 1 619 . 6 1 1 A 56 56 LYS HA H 54 3.988 4.216 -0.228 1 1 628 . 6 1 1 A 56 56 LYS C C 54 177.931 176.470 1.461 1 1 629 . 6 1 1 A 56 56 LYS CA C 54 56.770 56.689 0.081 1 1 630 . 6 1 1 A 56 56 LYS CB C 54 32.023 32.578 -0.555 1 1 634 . 6 1 1 A 56 56 LYS N N 54 112.924 116.092 -3.168 1 1 635 . 6 1 1 A 57 57 LEU H H 55 7.162 7.265 -0.103 1 1 636 . 6 1 1 A 57 57 LEU HA H 55 4.059 4.042 0.017 1 1 646 . 6 1 1 A 57 57 LEU C C 55 179.416 177.785 1.631 1 1 647 . 6 1 1 A 57 57 LEU CA C 55 56.088 55.110 0.978 1 1 648 . 6 1 1 A 57 57 LEU CB C 55 42.191 42.007 0.184 1 1 652 . 6 1 1 A 57 57 LEU N N 55 120.593 121.019 -0.426 1 1 653 . 6 1 1 A 58 58 LYS H H 56 8.720 8.881 -0.161 1 1 654 . 6 1 1 A 58 58 LYS HA H 56 3.920 3.796 0.124 1 1 663 . 6 1 1 A 58 58 LYS C C 56 178.937 178.043 0.894 1 1 664 . 6 1 1 A 58 58 LYS CA C 56 60.301 59.873 0.428 1 1 665 . 6 1 1 A 58 58 LYS CB C 56 32.121 32.283 -0.162 1 1 669 . 6 1 1 A 58 58 LYS N N 56 125.479 124.958 0.521 1 1 670 . 6 1 1 A 59 59 TRP H H 57 7.811 8.245 -0.434 1 1 671 . 6 1 1 A 59 59 TRP HA H 57 4.664 4.486 0.178 1 1 680 . 6 1 1 A 59 59 TRP C C 57 178.868 179.223 -0.355 1 1 681 . 6 1 1 A 59 59 TRP CA C 57 58.897 59.892 -0.995 1 1 682 . 6 1 1 A 59 59 TRP CB C 57 28.036 28.054 -0.018 1 1 688 . 6 1 1 A 59 59 TRP N N 57 113.433 118.925 -5.492 1 1 690 . 6 1 1 A 60 60 ILE H H 58 6.467 7.512 -1.045 1 1 691 . 6 1 1 A 60 60 ILE HA H 58 3.325 3.573 -0.248 1 1 701 . 6 1 1 A 60 60 ILE C C 58 177.726 177.873 -0.147 1 1 702 . 6 1 1 A 60 60 ILE CA C 58 64.314 64.397 -0.083 1 1 703 . 6 1 1 A 60 60 ILE CB C 58 35.897 36.612 -0.715 1 1 707 . 6 1 1 A 60 60 ILE N N 58 124.379 122.399 1.980 1 1 708 . 6 1 1 A 61 61 GLN H H 59 7.624 8.667 -1.043 1 1 709 . 6 1 1 A 61 61 GLN HA H 59 3.755 3.892 -0.137 1 1 716 . 6 1 1 A 61 61 GLN C C 59 178.434 178.580 -0.146 1 1 717 . 6 1 1 A 61 61 GLN CA C 59 59.379 59.559 -0.180 1 1 718 . 6 1 1 A 61 61 GLN CB C 59 28.602 28.110 0.492 1 1 720 . 6 1 1 A 61 61 GLN N N 59 119.070 118.526 0.544 1 1 722 . 6 1 1 A 62 62 GLU H H 60 8.064 8.415 -0.351 1 1 723 . 6 1 1 A 62 62 GLU HA H 60 4.087 4.100 -0.013 1 1 728 . 6 1 1 A 62 62 GLU C C 60 179.051 178.415 0.636 1 1 729 . 6 1 1 A 62 62 GLU CA C 60 59.659 59.538 0.121 1 1 730 . 6 1 1 A 62 62 GLU CB C 60 30.457 29.461 0.996 1 1 732 . 6 1 1 A 62 62 GLU N N 60 117.166 120.213 -3.047 1 1 733 . 6 1 1 A 63 63 TYR H H 61 7.924 7.875 0.049 1 1 734 . 6 1 1 A 63 63 TYR HA H 61 4.254 4.300 -0.046 1 1 741 . 6 1 1 A 63 63 TYR C C 61 178.617 177.731 0.886 1 1 742 . 6 1 1 A 63 63 TYR CA C 61 61.184 61.464 -0.280 1 1 743 . 6 1 1 A 63 63 TYR CB C 61 39.461 38.764 0.697 1 1 746 . 6 1 1 A 63 63 TYR N N 61 121.271 120.861 0.410 1 1 747 . 6 1 1 A 64 64 LEU H H 62 8.260 9.147 -0.887 1 1 748 . 6 1 1 A 64 64 LEU HA H 62 3.966 3.961 0.005 1 1 758 . 6 1 1 A 64 64 LEU C C 62 179.553 179.124 0.429 1 1 759 . 6 1 1 A 64 64 LEU CA C 62 58.014 58.369 -0.355 1 1 760 . 6 1 1 A 64 64 LEU CB C 62 42.397 41.707 0.690 1 1 764 . 6 1 1 A 64 64 LEU N N 62 116.299 120.075 -3.776 1 1 765 . 6 1 1 A 65 65 GLU H H 63 8.454 8.261 0.193 1 1 766 . 6 1 1 A 65 65 GLU HA H 63 3.854 3.896 -0.042 1 1 771 . 6 1 1 A 65 65 GLU C C 63 179.279 179.213 0.066 1 1 772 . 6 1 1 A 65 65 GLU CA C 63 60.301 59.886 0.415 1 1 773 . 6 1 1 A 65 65 GLU CB C 63 29.870 29.380 0.490 1 1 775 . 6 1 1 A 65 65 GLU N N 63 118.616 117.798 0.818 1 1 776 . 6 1 1 A 66 66 LYS H H 64 7.575 7.966 -0.391 1 1 777 . 6 1 1 A 66 66 LYS HA H 64 4.225 4.042 0.183 1 1 786 . 6 1 1 A 66 66 LYS C C 64 178.457 178.551 -0.094 1 1 787 . 6 1 1 A 66 66 LYS CA C 64 58.496 59.047 -0.551 1 1 788 . 6 1 1 A 66 66 LYS CB C 64 32.400 31.873 0.527 1 1 792 . 6 1 1 A 66 66 LYS N N 64 117.166 118.148 -0.982 1 1 793 . 6 1 1 A 67 67 CYS H H 65 7.918 7.825 0.093 1 1 794 . 6 1 1 A 67 67 CYS HA H 65 4.526 4.090 0.436 1 1 797 . 6 1 1 A 67 67 CYS C C 65 174.893 177.652 -2.759 1 1 798 . 6 1 1 A 67 67 CYS CA C 65 56.329 61.937 -5.608 1 1 799 . 6 1 1 A 67 67 CYS CB C 65 45.235 26.965 18.270 1 1 800 . 6 1 1 A 67 67 CYS N N 65 115.330 118.707 -3.377 1 1 801 . 6 1 1 A 68 68 LEU H H 66 7.559 8.263 -0.704 1 1 802 . 6 1 1 A 68 68 LEU HA H 66 4.491 4.072 0.419 1 1 812 . 6 1 1 A 68 68 LEU C C 66 176.812 177.955 -1.143 1 1 813 . 6 1 1 A 68 68 LEU CA C 66 55.366 58.206 -2.840 1 1 814 . 6 1 1 A 68 68 LEU CB C 66 43.278 41.934 1.344 1 1 818 . 6 1 1 A 68 68 LEU N N 66 120.930 122.468 -1.538 1 1 819 . 6 1 1 A 69 69 ASN H H 67 8.265 8.594 -0.329 1 1 820 . 6 1 1 A 69 69 ASN HA H 67 4.669 5.070 -0.401 1 1 825 . 6 1 1 A 69 69 ASN CA C 67 53.761 54.781 -1.020 1 1 826 . 6 1 1 A 69 69 ASN CB C 67 39.069 40.171 -1.102 1 1 827 . 6 1 1 A 69 69 ASN N N 67 120.279 115.834 4.445 1 1 852 . 6 2 2 B 4 4 GLU H H 102 8.342 7.830 0.512 1 1 853 . 6 2 2 B 4 4 GLU HA H 102 4.282 4.766 -0.484 1 1 858 . 6 2 2 B 4 4 GLU C C 102 177.132 176.567 0.565 1 1 859 . 6 2 2 B 4 4 GLU CA C 102 57.410 54.288 3.122 1 1 861 . 6 2 2 B 4 4 GLU N N 102 121.884 118.261 3.623 1 1 862 . 6 2 2 B 5 5 GLY H H 103 8.331 8.842 -0.511 1 1 863 . 6 2 2 B 5 5 GLY HA2 H 103 3.960 3.836 0.124 1 1 864 . 6 2 2 B 5 5 GLY HA3 H 103 3.960 3.837 0.123 1 1 865 . 6 2 2 B 5 5 GLY C C 103 174.207 173.967 0.240 1 1 866 . 6 2 2 B 5 5 GLY CA C 103 45.731 46.575 -0.844 1 1 867 . 6 2 2 B 5 5 GLY N N 103 110.055 111.550 -1.495 1 1 868 . 6 2 2 B 6 6 ILE H H 104 7.831 7.300 0.531 1 1 869 . 6 2 2 B 6 6 ILE HA H 104 4.286 4.002 0.284 1 1 879 . 6 2 2 B 6 6 ILE C C 104 176.401 176.146 0.255 1 1 880 . 6 2 2 B 6 6 ILE CA C 104 61.558 61.291 0.267 1 1 881 . 6 2 2 B 6 6 ILE CB C 104 39.436 37.955 1.481 1 1 885 . 6 2 2 B 6 6 ILE N N 104 119.606 120.531 -0.925 1 1 886 . 6 2 2 B 7 7 SER H H 105 8.350 8.661 -0.311 1 1 887 . 6 2 2 B 7 7 SER HA H 105 4.545 4.425 0.120 1 1 890 . 6 2 2 B 7 7 SER C C 105 174.550 174.556 -0.006 1 1 891 . 6 2 2 B 7 7 SER CA C 105 58.667 60.201 -1.534 1 1 892 . 6 2 2 B 7 7 SER CB C 105 64.072 63.602 0.470 1 1 893 . 6 2 2 B 7 7 SER N N 105 119.853 122.156 -2.303 1 1 894 . 6 2 2 B 8 8 ILE H H 106 7.921 8.400 -0.479 1 1 895 . 6 2 2 B 8 8 ILE HA H 106 4.205 4.255 -0.050 1 1 905 . 6 2 2 B 8 8 ILE C C 106 175.921 174.917 1.004 1 1 906 . 6 2 2 B 8 8 ILE CA C 106 61.935 61.176 0.759 1 1 907 . 6 2 2 B 8 8 ILE CB C 106 39.436 39.063 0.373 1 1 911 . 6 2 2 B 8 8 ILE N N 106 121.730 127.651 -5.921 1 1 912 . 6 2 2 B 9 9 TYR H H 107 8.166 8.489 -0.323 1 1 913 . 6 2 2 B 9 9 TYR HA H 107 4.713 4.748 -0.035 1 1 920 . 6 2 2 B 9 9 TYR C C 107 176.058 175.317 0.741 1 1 921 . 6 2 2 B 9 9 TYR CA C 107 58.165 57.583 0.582 1 1 922 . 6 2 2 B 9 9 TYR CB C 107 39.436 39.540 -0.104 1 1 925 . 6 2 2 B 9 9 TYR N N 107 123.598 127.104 -3.506 1 1 926 . 6 2 2 B 10 10 THR H H 108 7.961 8.590 -0.629 1 1 927 . 6 2 2 B 10 10 THR HA H 108 4.433 4.855 -0.422 1 1 932 . 6 2 2 B 10 10 THR C C 108 174.459 173.569 0.890 1 1 933 . 6 2 2 B 10 10 THR CA C 108 62.061 60.783 1.278 1 1 934 . 6 2 2 B 10 10 THR CB C 108 70.608 69.962 0.646 1 1 936 . 6 2 2 B 10 10 THR N N 108 115.642 115.800 -0.158 1 1 937 . 6 2 2 B 11 11 SER H H 109 8.211 8.730 -0.519 1 1 938 . 6 2 2 B 11 11 SER HA H 109 4.507 4.596 -0.089 1 1 941 . 6 2 2 B 11 11 SER C C 109 174.504 175.424 -0.920 1 1 942 . 6 2 2 B 11 11 SER CA C 109 58.919 58.620 0.299 1 1 943 . 6 2 2 B 11 11 SER CB C 109 64.198 63.762 0.436 1 1 944 . 6 2 2 B 11 11 SER N N 109 117.260 122.332 -5.072 1 1 945 . 6 2 2 B 12 12 ASP H H 110 8.351 8.992 -0.641 1 1 946 . 6 2 2 B 12 12 ASP HA H 110 4.631 4.526 0.105 1 1 949 . 6 2 2 B 12 12 ASP C C 110 176.058 176.004 0.054 1 1 950 . 6 2 2 B 12 12 ASP CA C 110 55.022 56.107 -1.085 1 1 951 . 6 2 2 B 12 12 ASP CB C 110 41.825 41.709 0.116 1 1 952 . 6 2 2 B 12 12 ASP N N 110 122.020 128.821 -6.801 1 1 953 . 6 2 2 B 13 13 ASN H H 111 8.230 8.070 0.160 1 1 954 . 6 2 2 B 13 13 ASN HA H 111 4.726 5.248 -0.522 1 1 957 . 6 2 2 B 13 13 ASN C C 111 175.030 173.023 2.007 1 1 958 . 6 2 2 B 13 13 ASN CA C 111 53.765 53.226 0.539 1 1 959 . 6 2 2 B 13 13 ASN CB C 111 39.562 40.565 -1.003 1 1 960 . 6 2 2 B 13 13 ASN N N 111 118.317 116.408 1.909 1 1 961 . 6 2 2 B 14 14 TYR H H 112 8.101 8.703 -0.602 1 1 962 . 6 2 2 B 14 14 TYR HA H 112 4.638 4.783 -0.145 1 1 969 . 6 2 2 B 14 14 TYR C C 112 176.081 174.179 1.902 1 1 970 . 6 2 2 B 14 14 TYR CA C 112 58.793 58.065 0.728 1 1 971 . 6 2 2 B 14 14 TYR CB C 112 39.436 39.346 0.090 1 1 974 . 6 2 2 B 14 14 TYR N N 112 120.850 126.644 -5.794 1 1 975 . 6 2 2 B 15 15 THR H H 113 7.879 8.567 -0.688 1 1 976 . 6 2 2 B 15 15 THR HA H 113 4.284 4.622 -0.338 1 1 981 . 6 2 2 B 15 15 THR C C 113 174.413 174.244 0.169 1 1 982 . 6 2 2 B 15 15 THR CA C 113 62.187 60.761 1.426 1 1 983 . 6 2 2 B 15 15 THR CB C 113 70.341 68.327 2.014 1 1 985 . 6 2 2 B 15 15 THR N N 113 116.126 116.810 -0.684 1 1 986 . 6 2 2 B 16 16 GLU H H 114 8.253 8.204 0.049 1 1 987 . 6 2 2 B 16 16 GLU HA H 114 4.256 4.376 -0.120 1 1 992 . 6 2 2 B 16 16 GLU C C 114 176.766 176.795 -0.029 1 1 993 . 6 2 2 B 16 16 GLU CA C 114 57.410 57.209 0.201 1 1 994 . 6 2 2 B 16 16 GLU CB C 114 30.620 31.253 -0.633 1 1 996 . 6 2 2 B 16 16 GLU N N 114 123.052 124.418 -1.366 1 1 997 . 6 2 2 B 17 17 GLU H H 115 8.331 8.091 0.240 1 1 998 . 6 2 2 B 17 17 GLU HA H 115 4.292 3.958 0.334 1 1 1003 . 6 2 2 B 17 17 GLU C C 115 176.880 175.492 1.388 1 1 1004 . 6 2 2 B 17 17 GLU CA C 115 57.410 57.387 0.023 1 1 1005 . 6 2 2 B 17 17 GLU CB C 115 30.525 27.772 2.753 1 1 1007 . 6 2 2 B 17 17 GLU N N 115 121.688 116.749 4.939 1 1 1008 . 6 2 2 B 18 18 MET H H 116 8.317 7.738 0.579 1 1 1009 . 6 2 2 B 18 18 MET HA H 116 4.490 4.689 -0.199 1 1 1014 . 6 2 2 B 18 18 MET C C 116 177.086 175.004 2.082 1 1 1015 . 6 2 2 B 18 18 MET CA C 116 56.279 54.980 1.299 1 1 1016 . 6 2 2 B 18 18 MET CB C 116 33.026 34.846 -1.820 1 1 1017 . 6 2 2 B 18 18 MET N N 116 121.270 118.321 2.949 1 1 1018 . 6 2 2 B 19 19 GLY H H 117 8.320 8.493 -0.173 1 1 1019 . 6 2 2 B 19 19 GLY HA2 H 117 4.054 4.418 -0.364 1 1 1020 . 6 2 2 B 19 19 GLY HA3 H 117 4.054 4.423 -0.369 1 1 1021 . 6 2 2 B 19 19 GLY C C 117 174.481 172.687 1.794 1 1 1022 . 6 2 2 B 19 19 GLY CA C 117 45.847 44.853 0.994 1 1 1023 . 6 2 2 B 19 19 GLY N N 117 110.055 108.085 1.970 1 1 1024 . 6 2 2 B 20 20 SER H H 118 8.230 8.719 -0.489 1 1 1025 . 6 2 2 B 20 20 SER HA H 118 4.476 4.916 -0.440 1 1 1028 . 6 2 2 B 20 20 SER C C 118 175.327 173.816 1.511 1 1 1029 . 6 2 2 B 20 20 SER CA C 118 58.919 57.283 1.636 1 1 1030 . 6 2 2 B 20 20 SER CB C 118 64.575 66.299 -1.724 1 1 1031 . 6 2 2 B 20 20 SER N N 118 115.664 117.074 -1.410 1 1 1032 . 6 2 2 B 21 21 GLY H H 119 8.371 8.563 -0.192 1 1 1033 . 6 2 2 B 21 21 GLY HA2 H 119 3.951 4.176 -0.225 1 1 1034 . 6 2 2 B 21 21 GLY HA3 H 119 3.951 4.177 -0.226 1 1 1035 . 6 2 2 B 21 21 GLY C C 119 174.002 173.785 0.217 1 1 1036 . 6 2 2 B 21 21 GLY CA C 119 45.721 45.614 0.107 1 1 1037 . 6 2 2 B 21 21 GLY N N 119 110.872 109.253 1.619 1 1 1068 . 6 2 2 B 25 25 SER H H 123 8.155 8.164 -0.009 1 1 1069 . 6 2 2 B 25 25 SER HA H 123 4.404 4.121 0.283 1 1 1072 . 6 2 2 B 25 25 SER C C 123 175.075 173.108 1.967 1 1 1073 . 6 2 2 B 25 25 SER CA C 123 59.347 59.554 -0.207 1 1 1074 . 6 2 2 B 25 25 SER CB C 123 63.879 61.034 2.845 1 1 1075 . 6 2 2 B 25 25 SER N N 123 116.126 114.729 1.397 1 1 1076 . 6 2 2 B 26 26 MET H H 124 8.221 7.062 1.159 1 1 1077 . 6 2 2 B 26 26 MET HA H 124 4.482 5.053 -0.571 1 1 1082 . 6 2 2 B 26 26 MET C C 124 176.355 174.847 1.508 1 1 1083 . 6 2 2 B 26 26 MET CA C 124 56.279 54.605 1.674 1 1 1084 . 6 2 2 B 26 26 MET CB C 124 32.900 36.224 -3.324 1 1 1086 . 6 2 2 B 26 26 MET N N 124 121.210 120.943 0.267 1 1 1087 . 6 2 2 B 27 27 LYS H H 125 8.036 8.783 -0.747 1 1 1088 . 6 2 2 B 27 27 LYS HA H 125 4.333 5.031 -0.698 1 1 1097 . 6 2 2 B 27 27 LYS C C 125 176.355 175.033 1.322 1 1 1098 . 6 2 2 B 27 27 LYS CA C 125 56.656 54.399 2.257 1 1 1099 . 6 2 2 B 27 27 LYS CB C 125 33.529 37.025 -3.496 1 1 1103 . 6 2 2 B 27 27 LYS N N 125 121.457 122.178 -0.721 1 1 1104 . 6 2 2 B 28 28 GLU H H 126 8.205 9.004 -0.799 1 1 1105 . 6 2 2 B 28 28 GLU N N 126 122.740 118.087 4.653 1 1 1106 . 6 2 2 B 29 29 PRO HA H 127 4.377 4.421 -0.044 1 1 1113 . 6 2 2 B 29 29 PRO C C 127 176.812 175.634 1.178 1 1 1114 . 6 2 2 B 29 29 PRO CA C 127 63.821 62.900 0.921 1 1 1115 . 6 2 2 B 29 29 PRO CB C 127 32.272 31.806 0.466 1 1 1118 . 6 2 2 B 30 30 ALA H H 128 8.273 8.182 0.091 1 1 1119 . 6 2 2 B 30 30 ALA HA H 128 4.287 4.579 -0.292 1 1 1123 . 6 2 2 B 30 30 ALA C C 128 177.589 175.549 2.040 1 1 1124 . 6 2 2 B 30 30 ALA CA C 128 52.873 50.539 2.334 1 1 1125 . 6 2 2 B 30 30 ALA CB C 128 19.703 19.749 -0.046 1 1 1126 . 6 2 2 B 30 30 ALA N N 128 123.577 127.125 -3.548 1 1 1127 . 6 2 2 B 31 31 PHE H H 129 8.019 8.841 -0.822 1 1 1128 . 6 2 2 B 31 31 PHE HA H 129 4.621 5.041 -0.420 1 1 1135 . 6 2 2 B 31 31 PHE C C 129 175.624 175.314 0.310 1 1 1136 . 6 2 2 B 31 31 PHE CA C 129 58.039 56.195 1.844 1 1 1137 . 6 2 2 B 31 31 PHE CB C 129 40.055 42.193 -2.138 1 1 1140 . 6 2 2 B 31 31 PHE N N 129 118.994 122.207 -3.213 1 1 1141 . 6 2 2 B 32 32 ARG H H 130 8.042 8.927 -0.885 1 1 1142 . 6 2 2 B 32 32 ARG HA H 130 4.332 4.007 0.325 1 1 1149 . 6 2 2 B 32 32 ARG C C 130 175.875 174.510 1.365 1 1 1150 . 6 2 2 B 32 32 ARG CA C 130 56.154 57.602 -1.448 1 1 1151 . 6 2 2 B 32 32 ARG CB C 130 31.643 27.994 3.649 1 1 1154 . 6 2 2 B 32 32 ARG N N 130 122.929 118.346 4.583 1 1 1155 . 6 2 2 B 33 33 GLU H H 131 8.389 7.800 0.589 1 1 1156 . 6 2 2 B 33 33 GLU HA H 131 4.276 4.811 -0.535 1 1 1161 . 6 2 2 B 33 33 GLU C C 131 176.766 173.998 2.768 1 1 1162 . 6 2 2 B 33 33 GLU CA C 131 57.285 55.678 1.607 1 1 1163 . 6 2 2 B 33 33 GLU CB C 131 30.512 33.286 -2.774 1 1 1165 . 6 2 2 B 33 33 GLU N N 131 122.719 118.107 4.612 1 1 1166 . 6 2 2 B 34 34 GLU H H 132 8.502 8.822 -0.320 1 1 1167 . 6 2 2 B 34 34 GLU HA H 132 4.275 4.877 -0.602 1 1 1172 . 6 2 2 B 34 34 GLU C C 132 176.560 175.103 1.457 1 1 1173 . 6 2 2 B 34 34 GLU CA C 132 57.400 55.724 1.676 1 1 1174 . 6 2 2 B 34 34 GLU CB C 132 30.526 33.169 -2.643 1 1 1176 . 6 2 2 B 34 34 GLU N N 132 122.122 125.473 -3.351 1 1 1177 . 6 2 2 B 35 35 ASN H H 133 8.362 8.748 -0.386 1 1 1178 . 6 2 2 B 35 35 ASN HA H 133 4.693 5.476 -0.783 1 1 1181 . 6 2 2 B 35 35 ASN C C 133 175.258 174.890 0.368 1 1 1182 . 6 2 2 B 35 35 ASN CA C 133 53.765 51.976 1.789 1 1 1183 . 6 2 2 B 35 35 ASN CB C 133 39.562 39.879 -0.317 1 1 1184 . 6 2 2 B 35 35 ASN N N 133 119.552 123.589 -4.037 1 1 1185 . 6 2 2 B 36 36 ALA H H 134 8.155 8.840 -0.685 1 1 1186 . 6 2 2 B 36 36 ALA HA H 134 4.289 4.417 -0.128 1 1 1190 . 6 2 2 B 36 36 ALA C C 134 177.520 177.778 -0.258 1 1 1191 . 6 2 2 B 36 36 ALA CA C 134 52.873 52.240 0.633 1 1 1192 . 6 2 2 B 36 36 ALA CB C 134 19.703 18.599 1.104 1 1 1193 . 6 2 2 B 36 36 ALA N N 134 124.376 124.600 -0.224 1 1 1194 . 6 2 2 B 37 37 ASN H H 135 8.210 8.971 -0.761 1 1 1195 . 6 2 2 B 37 37 ASN HA H 135 4.694 4.513 0.181 1 1 1198 . 6 2 2 B 37 37 ASN C C 135 175.144 175.267 -0.123 1 1 1199 . 6 2 2 B 37 37 ASN CA C 135 53.640 55.299 -1.659 1 1 1200 . 6 2 2 B 37 37 ASN CB C 135 39.311 38.687 0.624 1 1 1201 . 6 2 2 B 37 37 ASN N N 135 117.103 123.179 -6.076 1 1 1202 . 6 2 2 B 38 38 PHE H H 136 7.997 7.902 0.095 1 1 1203 . 6 2 2 B 38 38 PHE HA H 136 4.659 4.741 -0.082 1 1 1210 . 6 2 2 B 38 38 PHE C C 136 175.601 174.649 0.952 1 1 1211 . 6 2 2 B 38 38 PHE CA C 136 58.165 56.809 1.356 1 1 1212 . 6 2 2 B 38 38 PHE CB C 136 39.939 37.882 2.057 1 1 1215 . 6 2 2 B 38 38 PHE N N 136 120.229 116.488 3.741 1 1 1216 . 6 2 2 B 39 39 ASN H H 137 8.272 7.987 0.285 1 1 1217 . 6 2 2 B 39 39 ASN HA H 137 4.733 5.273 -0.540 1 1 1220 . 6 2 2 B 39 39 ASN C C 137 174.047 173.320 0.727 1 1 1221 . 6 2 2 B 39 39 ASN CA C 137 53.891 52.648 1.243 1 1 1222 . 6 2 2 B 39 39 ASN CB C 137 39.688 42.928 -3.240 1 1 1223 . 6 2 2 B 39 39 ASN N N 137 120.594 122.918 -2.324 1 1 3 . 7 1 1 A 4 4 PRO HA H 2 4.509 4.713 -0.204 1 1 10 . 7 1 1 A 4 4 PRO C C 2 177.132 175.464 1.668 1 1 11 . 7 1 1 A 4 4 PRO CA C 2 63.529 62.267 1.262 1 1 12 . 7 1 1 A 4 4 PRO CB C 2 32.476 33.329 -0.853 1 1 15 . 7 1 1 A 5 5 VAL H H 3 8.201 8.327 -0.126 1 1 16 . 7 1 1 A 5 5 VAL HA H 3 4.152 4.417 -0.265 1 1 24 . 7 1 1 A 5 5 VAL C C 3 176.423 175.257 1.166 1 1 25 . 7 1 1 A 5 5 VAL CA C 3 62.873 61.390 1.483 1 1 26 . 7 1 1 A 5 5 VAL CB C 3 33.455 33.332 0.123 1 1 28 . 7 1 1 A 5 5 VAL N N 3 120.488 119.702 0.786 1 1 29 . 7 1 1 A 6 6 SER H H 4 8.276 8.826 -0.550 1 1 30 . 7 1 1 A 6 6 SER HA H 4 4.494 5.086 -0.592 1 1 33 . 7 1 1 A 6 6 SER C C 4 174.687 173.456 1.231 1 1 34 . 7 1 1 A 6 6 SER CA C 4 58.375 58.416 -0.041 1 1 35 . 7 1 1 A 6 6 SER CB C 4 64.295 64.383 -0.088 1 1 36 . 7 1 1 A 6 6 SER N N 4 119.000 124.154 -5.154 1 1 37 . 7 1 1 A 7 7 LEU H H 5 8.238 8.810 -0.572 1 1 38 . 7 1 1 A 7 7 LEU HA H 5 4.406 5.048 -0.642 1 1 44 . 7 1 1 A 7 7 LEU C C 5 177.406 175.108 2.298 1 1 45 . 7 1 1 A 7 7 LEU CA C 5 55.766 53.475 2.291 1 1 46 . 7 1 1 A 7 7 LEU CB C 5 43.132 44.559 -1.427 1 1 48 . 7 1 1 A 7 7 LEU N N 5 124.704 122.535 2.169 1 1 49 . 7 1 1 A 8 8 SER H H 6 8.148 8.754 -0.606 1 1 50 . 7 1 1 A 8 8 SER HA H 6 4.438 5.074 -0.636 1 1 53 . 7 1 1 A 8 8 SER C C 6 174.321 172.641 1.680 1 1 54 . 7 1 1 A 8 8 SER CA C 6 58.718 56.375 2.343 1 1 55 . 7 1 1 A 8 8 SER CB C 6 64.295 65.977 -1.682 1 1 56 . 7 1 1 A 8 8 SER N N 6 115.960 117.861 -1.901 1 1 57 . 7 1 1 A 9 9 TYR H H 7 7.954 8.846 -0.892 1 1 58 . 7 1 1 A 9 9 TYR HA H 7 4.585 4.797 -0.212 1 1 65 . 7 1 1 A 9 9 TYR C C 7 175.532 175.533 -0.001 1 1 66 . 7 1 1 A 9 9 TYR CA C 7 58.335 57.033 1.302 1 1 67 . 7 1 1 A 9 9 TYR CB C 7 39.474 36.957 2.517 1 1 70 . 7 1 1 A 9 9 TYR N N 7 121.884 121.620 0.264 1 1 71 . 7 1 1 A 10 10 ARG H H 8 8.117 8.081 0.036 1 1 72 . 7 1 1 A 10 10 ARG HA H 8 4.349 4.859 -0.510 1 1 79 . 7 1 1 A 10 10 ARG C C 8 175.898 174.703 1.195 1 1 80 . 7 1 1 A 10 10 ARG CA C 8 56.048 53.731 2.317 1 1 81 . 7 1 1 A 10 10 ARG CB C 8 31.492 34.360 -2.868 1 1 84 . 7 1 1 A 10 10 ARG N N 8 121.977 121.270 0.707 1 1 85 . 7 1 1 A 11 11 CYS H H 9 8.127 8.735 -0.608 1 1 86 . 7 1 1 A 11 11 CYS HA H 9 4.984 4.898 0.086 1 1 89 . 7 1 1 A 11 11 CYS C C 9 177.771 173.804 3.967 1 1 90 . 7 1 1 A 11 11 CYS CA C 9 53.192 54.878 -1.686 1 1 91 . 7 1 1 A 11 11 CYS CB C 9 40.897 42.757 -1.860 1 1 92 . 7 1 1 A 11 11 CYS N N 9 121.209 119.988 1.221 1 1 93 . 7 1 1 A 12 12 PRO HA H 10 4.321 4.357 -0.036 1 1 100 . 7 1 1 A 12 12 PRO CA C 10 65.478 64.052 1.426 1 1 101 . 7 1 1 A 12 12 PRO CB C 10 32.904 31.814 1.090 1 1 104 . 7 1 1 A 13 13 CYS H H 11 8.633 7.447 1.186 1 1 105 . 7 1 1 A 13 13 CYS C C 11 174.618 172.091 2.527 1 1 106 . 7 1 1 A 13 13 CYS N N 11 114.595 115.233 -0.638 1 1 107 . 7 1 1 A 14 14 ARG H H 12 8.236 8.649 -0.413 1 1 108 . 7 1 1 A 14 14 ARG HA H 12 4.067 4.344 -0.277 1 1 115 . 7 1 1 A 14 14 ARG C C 12 175.098 175.852 -0.754 1 1 116 . 7 1 1 A 14 14 ARG CA C 12 57.370 56.474 0.896 1 1 117 . 7 1 1 A 14 14 ARG CB C 12 31.631 31.930 -0.299 1 1 120 . 7 1 1 A 14 14 ARG N N 12 122.779 122.975 -0.196 1 1 121 . 7 1 1 A 15 15 PHE H H 13 7.615 7.608 0.007 1 1 122 . 7 1 1 A 15 15 PHE HA H 13 4.510 5.263 -0.753 1 1 129 . 7 1 1 A 15 15 PHE C C 13 174.162 174.420 -0.258 1 1 130 . 7 1 1 A 15 15 PHE CA C 13 56.289 56.341 -0.052 1 1 131 . 7 1 1 A 15 15 PHE CB C 13 41.320 42.763 -1.443 1 1 134 . 7 1 1 A 15 15 PHE N N 13 116.797 116.370 0.427 1 1 135 . 7 1 1 A 16 16 PHE H H 14 8.125 9.403 -1.278 1 1 136 . 7 1 1 A 16 16 PHE HA H 14 4.767 4.994 -0.227 1 1 143 . 7 1 1 A 16 16 PHE C C 14 175.441 174.967 0.474 1 1 144 . 7 1 1 A 16 16 PHE CA C 14 55.767 56.528 -0.761 1 1 145 . 7 1 1 A 16 16 PHE CB C 14 41.320 41.872 -0.552 1 1 148 . 7 1 1 A 16 16 PHE N N 14 118.930 121.900 -2.970 1 1 149 . 7 1 1 A 17 17 GLU H H 15 8.836 9.648 -0.812 1 1 150 . 7 1 1 A 17 17 GLU HA H 15 4.579 4.784 -0.205 1 1 155 . 7 1 1 A 17 17 GLU C C 15 176.857 177.019 -0.162 1 1 156 . 7 1 1 A 17 17 GLU CA C 15 56.289 55.463 0.826 1 1 157 . 7 1 1 A 17 17 GLU CB C 15 31.173 30.394 0.779 1 1 159 . 7 1 1 A 17 17 GLU N N 15 122.929 123.671 -0.742 1 1 160 . 7 1 1 A 18 18 SER H H 16 8.751 8.772 -0.021 1 1 161 . 7 1 1 A 18 18 SER HA H 16 4.762 4.403 0.359 1 1 164 . 7 1 1 A 18 18 SER C C 16 177.497 175.528 1.969 1 1 165 . 7 1 1 A 18 18 SER CA C 16 59.328 59.682 -0.354 1 1 166 . 7 1 1 A 18 18 SER CB C 16 64.515 63.945 0.570 1 1 167 . 7 1 1 A 18 18 SER N N 16 118.860 118.619 0.241 1 1 168 . 7 1 1 A 19 19 HIS H H 17 8.761 7.795 0.966 1 1 169 . 7 1 1 A 19 19 HIS HA H 17 4.859 4.875 -0.016 1 1 174 . 7 1 1 A 19 19 HIS C C 17 174.618 174.889 -0.271 1 1 175 . 7 1 1 A 19 19 HIS CA C 17 56.449 55.052 1.397 1 1 176 . 7 1 1 A 19 19 HIS CB C 17 29.870 28.444 1.426 1 1 179 . 7 1 1 A 19 19 HIS N N 17 120.535 119.158 1.377 1 1 180 . 7 1 1 A 20 20 VAL H H 18 7.157 7.720 -0.563 1 1 181 . 7 1 1 A 20 20 VAL HA H 18 4.181 4.517 -0.336 1 1 189 . 7 1 1 A 20 20 VAL C C 18 174.436 175.443 -1.007 1 1 190 . 7 1 1 A 20 20 VAL CA C 18 62.167 60.034 2.133 1 1 191 . 7 1 1 A 20 20 VAL CB C 18 34.426 34.172 0.254 1 1 193 . 7 1 1 A 20 20 VAL N N 18 120.872 120.288 0.584 1 1 194 . 7 1 1 A 21 21 ALA H H 19 8.521 8.786 -0.265 1 1 195 . 7 1 1 A 21 21 ALA HA H 19 4.372 4.270 0.102 1 1 199 . 7 1 1 A 21 21 ALA C C 19 177.657 178.557 -0.900 1 1 200 . 7 1 1 A 21 21 ALA CA C 19 51.193 52.333 -1.140 1 1 201 . 7 1 1 A 21 21 ALA CB C 19 19.790 18.971 0.819 1 1 202 . 7 1 1 A 21 21 ALA N N 19 131.339 130.503 0.836 1 1 203 . 7 1 1 A 22 22 ARG H H 20 7.790 8.180 -0.390 1 1 204 . 7 1 1 A 22 22 ARG HA H 20 2.445 3.351 -0.906 1 1 211 . 7 1 1 A 22 22 ARG C C 20 178.365 177.102 1.263 1 1 212 . 7 1 1 A 22 22 ARG CA C 20 59.379 57.716 1.663 1 1 213 . 7 1 1 A 22 22 ARG CB C 20 29.572 28.821 0.751 1 1 216 . 7 1 1 A 22 22 ARG N N 20 124.365 124.055 0.310 1 1 217 . 7 1 1 A 23 23 ALA H H 21 8.120 7.412 0.708 1 1 218 . 7 1 1 A 23 23 ALA HA H 21 4.060 4.109 -0.049 1 1 222 . 7 1 1 A 23 23 ALA C C 21 178.000 177.979 0.021 1 1 223 . 7 1 1 A 23 23 ALA CA C 21 54.100 53.560 0.540 1 1 224 . 7 1 1 A 23 23 ALA CB C 21 18.713 18.256 0.457 1 1 225 . 7 1 1 A 23 23 ALA N N 21 117.156 121.758 -4.602 1 1 226 . 7 1 1 A 24 24 ASN H H 22 7.717 7.759 -0.042 1 1 227 . 7 1 1 A 24 24 ASN HA H 22 5.010 4.765 0.245 1 1 232 . 7 1 1 A 24 24 ASN C C 22 174.938 174.743 0.195 1 1 233 . 7 1 1 A 24 24 ASN CA C 22 52.869 52.716 0.153 1 1 234 . 7 1 1 A 24 24 ASN CB C 22 40.573 39.021 1.552 1 1 235 . 7 1 1 A 24 24 ASN N N 22 112.819 115.175 -2.356 1 1 237 . 7 1 1 A 25 25 VAL H H 23 7.489 7.079 0.410 1 1 238 . 7 1 1 A 25 25 VAL HA H 23 4.888 4.307 0.581 1 1 246 . 7 1 1 A 25 25 VAL C C 23 175.829 175.712 0.117 1 1 247 . 7 1 1 A 25 25 VAL CA C 23 59.870 60.410 -0.540 1 1 248 . 7 1 1 A 25 25 VAL CB C 23 35.396 33.540 1.856 1 1 251 . 7 1 1 A 25 25 VAL N N 23 119.721 117.385 2.336 1 1 252 . 7 1 1 A 26 26 LYS H H 24 9.479 9.474 0.005 1 1 253 . 7 1 1 A 26 26 LYS HA H 24 4.353 4.333 0.020 1 1 262 . 7 1 1 A 26 26 LYS C C 24 176.606 176.943 -0.337 1 1 263 . 7 1 1 A 26 26 LYS CA C 24 58.977 57.882 1.095 1 1 264 . 7 1 1 A 26 26 LYS CB C 24 34.567 33.104 1.463 1 1 268 . 7 1 1 A 26 26 LYS N N 24 127.843 122.260 5.583 1 1 269 . 7 1 1 A 27 27 HIS H H 25 7.237 7.574 -0.337 1 1 270 . 7 1 1 A 27 27 HIS HA H 25 4.979 5.008 -0.029 1 1 275 . 7 1 1 A 27 27 HIS C C 25 178.434 172.417 6.017 1 1 276 . 7 1 1 A 27 27 HIS CA C 25 55.406 54.512 0.894 1 1 277 . 7 1 1 A 27 27 HIS CB C 25 32.480 31.875 0.605 1 1 280 . 7 1 1 A 27 27 HIS N N 25 109.556 113.277 -3.721 1 1 281 . 7 1 1 A 28 28 LEU H H 26 8.189 8.871 -0.682 1 1 282 . 7 1 1 A 28 28 LEU HA H 26 5.190 5.171 0.019 1 1 292 . 7 1 1 A 28 28 LEU C C 26 175.510 175.269 0.241 1 1 293 . 7 1 1 A 28 28 LEU CA C 26 53.480 53.370 0.110 1 1 294 . 7 1 1 A 28 28 LEU CB C 26 45.235 44.917 0.318 1 1 298 . 7 1 1 A 28 28 LEU N N 26 117.260 119.286 -2.026 1 1 299 . 7 1 1 A 29 29 LYS H H 27 9.572 9.216 0.356 1 1 300 . 7 1 1 A 29 29 LYS HA H 27 5.372 5.220 0.152 1 1 309 . 7 1 1 A 29 29 LYS C C 27 174.801 174.866 -0.065 1 1 310 . 7 1 1 A 29 29 LYS CA C 27 55.165 54.753 0.412 1 1 311 . 7 1 1 A 29 29 LYS CB C 27 35.253 35.302 -0.049 1 1 315 . 7 1 1 A 29 29 LYS N N 27 123.488 124.010 -0.522 1 1 316 . 7 1 1 A 30 30 ILE H H 28 9.136 9.088 0.048 1 1 317 . 7 1 1 A 30 30 ILE HA H 28 4.926 5.058 -0.132 1 1 327 . 7 1 1 A 30 30 ILE C C 28 176.949 175.358 1.591 1 1 328 . 7 1 1 A 30 30 ILE CA C 28 60.542 59.647 0.895 1 1 329 . 7 1 1 A 30 30 ILE CB C 28 39.600 40.121 -0.521 1 1 333 . 7 1 1 A 30 30 ILE N N 28 123.846 127.538 -3.692 1 1 334 . 7 1 1 A 31 31 LEU H H 29 8.830 8.987 -0.157 1 1 335 . 7 1 1 A 31 31 LEU HA H 29 4.535 4.903 -0.368 1 1 344 . 7 1 1 A 31 31 LEU C C 29 176.012 175.478 0.534 1 1 345 . 7 1 1 A 31 31 LEU CA C 29 55.366 54.032 1.334 1 1 346 . 7 1 1 A 31 31 LEU CB C 29 43.180 44.616 -1.436 1 1 349 . 7 1 1 A 31 31 LEU N N 29 128.649 126.654 1.995 1 1 350 . 7 1 1 A 32 32 ASN H H 30 8.216 8.951 -0.735 1 1 351 . 7 1 1 A 32 32 ASN HA H 30 5.013 4.971 0.042 1 1 356 . 7 1 1 A 32 32 ASN C C 30 174.664 173.807 0.857 1 1 357 . 7 1 1 A 32 32 ASN CA C 30 52.517 52.312 0.205 1 1 358 . 7 1 1 A 32 32 ASN CB C 30 38.776 38.813 -0.037 1 1 359 . 7 1 1 A 32 32 ASN N N 30 120.791 123.726 -2.935 1 1 361 . 7 1 1 A 33 33 THR H H 31 7.883 8.640 -0.757 1 1 362 . 7 1 1 A 33 33 THR HA H 31 4.842 4.630 0.212 1 1 367 . 7 1 1 A 33 33 THR CA C 31 58.369 59.738 -1.369 1 1 368 . 7 1 1 A 33 33 THR CB C 31 70.018 69.393 0.625 1 1 370 . 7 1 1 A 33 33 THR N N 31 115.811 122.965 -7.154 1 1 371 . 7 1 1 A 34 34 PRO HA H 32 4.317 4.063 0.254 1 1 378 . 7 1 1 A 34 34 PRO CA C 32 65.164 65.480 -0.316 1 1 379 . 7 1 1 A 34 34 PRO CB C 32 32.484 31.281 1.203 1 1 382 . 7 1 1 A 35 35 ASN H H 33 8.254 7.952 0.302 1 1 383 . 7 1 1 A 35 35 ASN HA H 33 4.651 4.762 -0.111 1 1 388 . 7 1 1 A 35 35 ASN C C 33 174.710 174.605 0.105 1 1 389 . 7 1 1 A 35 35 ASN CA C 33 54.532 54.989 -0.457 1 1 390 . 7 1 1 A 35 35 ASN CB C 33 39.167 39.348 -0.181 1 1 391 . 7 1 1 A 35 35 ASN N N 33 120.081 113.358 6.723 1 1 393 . 7 1 1 A 36 36 CYS H H 34 7.548 8.028 -0.480 1 1 394 . 7 1 1 A 36 36 CYS HA H 34 4.694 4.936 -0.242 1 1 397 . 7 1 1 A 36 36 CYS C C 34 173.865 173.417 0.448 1 1 398 . 7 1 1 A 36 36 CYS CA C 34 55.447 54.760 0.687 1 1 399 . 7 1 1 A 36 36 CYS CB C 34 45.228 47.364 -2.136 1 1 400 . 7 1 1 A 36 36 CYS N N 34 117.076 116.063 1.013 1 1 401 . 7 1 1 A 37 37 ALA H H 35 8.472 8.572 -0.100 1 1 402 . 7 1 1 A 37 37 ALA HA H 35 4.236 4.629 -0.393 1 1 406 . 7 1 1 A 37 37 ALA C C 35 176.423 177.338 -0.915 1 1 407 . 7 1 1 A 37 37 ALA CA C 35 53.537 51.877 1.660 1 1 408 . 7 1 1 A 37 37 ALA CB C 35 19.202 20.387 -1.185 1 1 409 . 7 1 1 A 37 37 ALA N N 35 125.153 125.087 0.066 1 1 410 . 7 1 1 A 38 38 CYS H H 36 8.316 8.428 -0.112 1 1 411 . 7 1 1 A 38 38 CYS HA H 36 4.196 4.298 -0.102 1 1 414 . 7 1 1 A 38 38 CYS C C 36 173.705 174.060 -0.355 1 1 415 . 7 1 1 A 38 38 CYS CA C 36 58.616 60.070 -1.454 1 1 416 . 7 1 1 A 38 38 CYS CB C 36 45.705 27.832 17.873 1 1 417 . 7 1 1 A 38 38 CYS N N 36 118.837 118.165 0.672 1 1 418 . 7 1 1 A 39 39 GLN H H 37 8.921 8.487 0.434 1 1 419 . 7 1 1 A 39 39 GLN HA H 37 4.609 4.825 -0.216 1 1 426 . 7 1 1 A 39 39 GLN C C 37 173.636 173.611 0.025 1 1 427 . 7 1 1 A 39 39 GLN CA C 37 54.603 55.478 -0.875 1 1 428 . 7 1 1 A 39 39 GLN CB C 37 31.761 32.904 -1.143 1 1 430 . 7 1 1 A 39 39 GLN N N 37 128.567 125.143 3.424 1 1 432 . 7 1 1 A 40 40 ILE H H 38 8.893 8.460 0.433 1 1 433 . 7 1 1 A 40 40 ILE HA H 38 5.068 5.320 -0.252 1 1 443 . 7 1 1 A 40 40 ILE C C 38 174.390 174.891 -0.501 1 1 444 . 7 1 1 A 40 40 ILE CA C 38 60.582 59.909 0.673 1 1 445 . 7 1 1 A 40 40 ILE CB C 38 40.048 40.603 -0.555 1 1 449 . 7 1 1 A 40 40 ILE N N 38 123.962 127.125 -3.163 1 1 450 . 7 1 1 A 41 41 VAL H H 39 9.120 9.459 -0.339 1 1 451 . 7 1 1 A 41 41 VAL HA H 39 4.845 4.993 -0.148 1 1 459 . 7 1 1 A 41 41 VAL C C 39 175.487 174.863 0.624 1 1 460 . 7 1 1 A 41 41 VAL CA C 39 59.980 60.775 -0.795 1 1 461 . 7 1 1 A 41 41 VAL CB C 39 35.868 34.844 1.024 1 1 464 . 7 1 1 A 41 41 VAL N N 39 126.354 126.305 0.049 1 1 465 . 7 1 1 A 42 42 ALA H H 40 9.513 9.073 0.440 1 1 466 . 7 1 1 A 42 42 ALA HA H 40 5.154 5.182 -0.028 1 1 470 . 7 1 1 A 42 42 ALA C C 40 175.944 175.720 0.224 1 1 471 . 7 1 1 A 42 42 ALA CA C 40 50.591 50.265 0.326 1 1 472 . 7 1 1 A 42 42 ALA CB C 40 22.432 23.334 -0.902 1 1 473 . 7 1 1 A 42 42 ALA N N 40 128.406 127.972 0.434 1 1 474 . 7 1 1 A 43 43 ARG H H 41 7.717 8.398 -0.681 1 1 475 . 7 1 1 A 43 43 ARG HA H 41 4.979 4.665 0.314 1 1 482 . 7 1 1 A 43 43 ARG C C 41 175.510 175.974 -0.464 1 1 483 . 7 1 1 A 43 43 ARG CA C 41 54.162 55.514 -1.352 1 1 484 . 7 1 1 A 43 43 ARG CB C 41 31.200 31.476 -0.276 1 1 487 . 7 1 1 A 43 43 ARG N N 41 121.663 120.749 0.914 1 1 488 . 7 1 1 A 44 44 LEU H H 42 9.163 9.270 -0.107 1 1 489 . 7 1 1 A 44 44 LEU HA H 42 5.033 4.498 0.535 1 1 499 . 7 1 1 A 44 44 LEU C C 42 177.840 177.478 0.362 1 1 500 . 7 1 1 A 44 44 LEU CA C 42 54.724 54.515 0.209 1 1 501 . 7 1 1 A 44 44 LEU CB C 42 41.712 42.172 -0.460 1 1 505 . 7 1 1 A 44 44 LEU N N 42 129.087 124.264 4.823 1 1 506 . 7 1 1 A 45 45 LYS H H 43 8.417 9.094 -0.677 1 1 507 . 7 1 1 A 45 45 LYS HA H 43 3.950 4.303 -0.353 1 1 516 . 7 1 1 A 45 45 LYS CA C 43 59.016 56.043 2.973 1 1 517 . 7 1 1 A 45 45 LYS CB C 43 34.102 33.295 0.807 1 1 520 . 7 1 1 A 45 45 LYS N N 43 119.674 121.493 -1.819 1 1 521 . 7 1 1 A 48 48 ASN HA H 46 4.723 4.815 -0.092 1 1 526 . 7 1 1 A 48 48 ASN C C 46 175.098 174.778 0.320 1 1 527 . 7 1 1 A 48 48 ASN CA C 46 54.764 52.890 1.874 1 1 528 . 7 1 1 A 48 48 ASN CB C 46 39.265 39.683 -0.418 1 1 530 . 7 1 1 A 49 49 ARG H H 47 7.919 8.876 -0.957 1 1 531 . 7 1 1 A 49 49 ARG HA H 47 4.353 5.057 -0.704 1 1 538 . 7 1 1 A 49 49 ARG C C 47 175.601 174.564 1.037 1 1 539 . 7 1 1 A 49 49 ARG CA C 47 57.051 54.639 2.412 1 1 540 . 7 1 1 A 49 49 ARG CB C 47 32.121 31.667 0.454 1 1 543 . 7 1 1 A 49 49 ARG N N 47 119.826 117.091 2.735 1 1 544 . 7 1 1 A 50 50 GLN H H 48 8.547 8.428 0.119 1 1 545 . 7 1 1 A 50 50 GLN HA H 48 5.456 5.040 0.416 1 1 552 . 7 1 1 A 50 50 GLN C C 48 175.578 175.552 0.026 1 1 553 . 7 1 1 A 50 50 GLN CA C 48 55.125 54.992 0.133 1 1 554 . 7 1 1 A 50 50 GLN CB C 48 32.121 30.415 1.706 1 1 556 . 7 1 1 A 50 50 GLN N N 48 120.767 116.586 4.181 1 1 558 . 7 1 1 A 51 51 VAL H H 49 8.630 9.226 -0.596 1 1 559 . 7 1 1 A 51 51 VAL HA H 49 4.826 4.793 0.033 1 1 567 . 7 1 1 A 51 51 VAL C C 49 175.258 174.148 1.110 1 1 568 . 7 1 1 A 51 51 VAL CA C 49 59.338 58.858 0.480 1 1 569 . 7 1 1 A 51 51 VAL CB C 49 36.155 35.323 0.832 1 1 572 . 7 1 1 A 51 51 VAL N N 49 116.678 116.321 0.357 1 1 573 . 7 1 1 A 52 52 CYS H H 50 9.100 8.923 0.177 1 1 574 . 7 1 1 A 52 52 CYS HA H 50 5.301 5.232 0.069 1 1 577 . 7 1 1 A 52 52 CYS C C 50 174.527 173.243 1.284 1 1 578 . 7 1 1 A 52 52 CYS CA C 50 58.054 54.751 3.303 1 1 579 . 7 1 1 A 52 52 CYS CB C 50 43.375 43.374 0.001 1 1 580 . 7 1 1 A 52 52 CYS N N 50 124.549 119.830 4.719 1 1 581 . 7 1 1 A 53 53 ILE H H 51 8.485 9.478 -0.993 1 1 582 . 7 1 1 A 53 53 ILE HA H 51 4.964 4.846 0.118 1 1 592 . 7 1 1 A 53 53 ILE C C 51 173.019 175.086 -2.067 1 1 593 . 7 1 1 A 53 53 ILE CA C 51 58.897 59.986 -1.089 1 1 594 . 7 1 1 A 53 53 ILE CB C 51 42.201 40.697 1.504 1 1 598 . 7 1 1 A 53 53 ILE N N 51 122.581 126.187 -3.606 1 1 599 . 7 1 1 A 54 54 ASP H H 52 7.661 8.410 -0.749 1 1 600 . 7 1 1 A 54 54 ASP HA H 52 3.642 4.886 -1.244 1 1 603 . 7 1 1 A 54 54 ASP CA C 52 51.574 51.825 -0.251 1 1 604 . 7 1 1 A 54 54 ASP CB C 52 42.515 41.812 0.703 1 1 605 . 7 1 1 A 54 54 ASP N N 52 125.772 126.774 -1.002 1 1 606 . 7 1 1 A 55 55 PRO HA H 53 4.025 4.393 -0.368 1 1 613 . 7 1 1 A 55 55 PRO C C 53 176.126 176.412 -0.286 1 1 614 . 7 1 1 A 55 55 PRO CA C 53 63.993 63.950 0.043 1 1 615 . 7 1 1 A 55 55 PRO CB C 53 33.002 31.760 1.242 1 1 618 . 7 1 1 A 56 56 LYS H H 54 7.931 7.752 0.179 1 1 619 . 7 1 1 A 56 56 LYS HA H 54 3.988 4.367 -0.379 1 1 628 . 7 1 1 A 56 56 LYS C C 54 177.931 176.324 1.607 1 1 629 . 7 1 1 A 56 56 LYS CA C 54 56.770 56.120 0.650 1 1 630 . 7 1 1 A 56 56 LYS CB C 54 32.023 33.459 -1.436 1 1 634 . 7 1 1 A 56 56 LYS N N 54 112.924 116.592 -3.668 1 1 635 . 7 1 1 A 57 57 LEU H H 55 7.162 7.073 0.089 1 1 636 . 7 1 1 A 57 57 LEU HA H 55 4.059 3.944 0.115 1 1 646 . 7 1 1 A 57 57 LEU C C 55 179.416 177.883 1.533 1 1 647 . 7 1 1 A 57 57 LEU CA C 55 56.088 55.296 0.792 1 1 648 . 7 1 1 A 57 57 LEU CB C 55 42.191 43.050 -0.859 1 1 652 . 7 1 1 A 57 57 LEU N N 55 120.593 122.583 -1.990 1 1 653 . 7 1 1 A 58 58 LYS H H 56 8.720 9.029 -0.309 1 1 654 . 7 1 1 A 58 58 LYS HA H 56 3.920 3.837 0.083 1 1 663 . 7 1 1 A 58 58 LYS C C 56 178.937 178.000 0.937 1 1 664 . 7 1 1 A 58 58 LYS CA C 56 60.301 60.080 0.221 1 1 665 . 7 1 1 A 58 58 LYS CB C 56 32.121 32.587 -0.466 1 1 669 . 7 1 1 A 58 58 LYS N N 56 125.479 126.226 -0.747 1 1 670 . 7 1 1 A 59 59 TRP H H 57 7.811 8.286 -0.475 1 1 671 . 7 1 1 A 59 59 TRP HA H 57 4.664 4.525 0.139 1 1 680 . 7 1 1 A 59 59 TRP C C 57 178.868 179.372 -0.504 1 1 681 . 7 1 1 A 59 59 TRP CA C 57 58.897 59.870 -0.973 1 1 682 . 7 1 1 A 59 59 TRP CB C 57 28.036 28.112 -0.076 1 1 688 . 7 1 1 A 59 59 TRP N N 57 113.433 119.368 -5.935 1 1 690 . 7 1 1 A 60 60 ILE H H 58 6.467 7.565 -1.098 1 1 691 . 7 1 1 A 60 60 ILE HA H 58 3.325 3.534 -0.209 1 1 701 . 7 1 1 A 60 60 ILE C C 58 177.726 177.807 -0.081 1 1 702 . 7 1 1 A 60 60 ILE CA C 58 64.314 64.557 -0.243 1 1 703 . 7 1 1 A 60 60 ILE CB C 58 35.897 37.051 -1.154 1 1 707 . 7 1 1 A 60 60 ILE N N 58 124.379 122.466 1.913 1 1 708 . 7 1 1 A 61 61 GLN H H 59 7.624 8.461 -0.837 1 1 709 . 7 1 1 A 61 61 GLN HA H 59 3.755 3.926 -0.171 1 1 716 . 7 1 1 A 61 61 GLN C C 59 178.434 179.015 -0.581 1 1 717 . 7 1 1 A 61 61 GLN CA C 59 59.379 59.364 0.015 1 1 718 . 7 1 1 A 61 61 GLN CB C 59 28.602 28.356 0.246 1 1 720 . 7 1 1 A 61 61 GLN N N 59 119.070 118.279 0.791 1 1 722 . 7 1 1 A 62 62 GLU H H 60 8.064 8.369 -0.305 1 1 723 . 7 1 1 A 62 62 GLU HA H 60 4.087 4.123 -0.036 1 1 728 . 7 1 1 A 62 62 GLU C C 60 179.051 178.432 0.619 1 1 729 . 7 1 1 A 62 62 GLU CA C 60 59.659 59.305 0.354 1 1 730 . 7 1 1 A 62 62 GLU CB C 60 30.457 29.129 1.328 1 1 732 . 7 1 1 A 62 62 GLU N N 60 117.166 118.634 -1.468 1 1 733 . 7 1 1 A 63 63 TYR H H 61 7.924 8.069 -0.145 1 1 734 . 7 1 1 A 63 63 TYR HA H 61 4.254 4.274 -0.020 1 1 741 . 7 1 1 A 63 63 TYR C C 61 178.617 177.623 0.994 1 1 742 . 7 1 1 A 63 63 TYR CA C 61 61.184 61.480 -0.296 1 1 743 . 7 1 1 A 63 63 TYR CB C 61 39.461 38.699 0.762 1 1 746 . 7 1 1 A 63 63 TYR N N 61 121.271 122.176 -0.905 1 1 747 . 7 1 1 A 64 64 LEU H H 62 8.260 9.226 -0.966 1 1 748 . 7 1 1 A 64 64 LEU HA H 62 3.966 3.996 -0.030 1 1 758 . 7 1 1 A 64 64 LEU C C 62 179.553 179.259 0.294 1 1 759 . 7 1 1 A 64 64 LEU CA C 62 58.014 58.389 -0.375 1 1 760 . 7 1 1 A 64 64 LEU CB C 62 42.397 41.655 0.742 1 1 764 . 7 1 1 A 64 64 LEU N N 62 116.299 120.054 -3.755 1 1 765 . 7 1 1 A 65 65 GLU H H 63 8.454 8.408 0.046 1 1 766 . 7 1 1 A 65 65 GLU HA H 63 3.854 3.928 -0.074 1 1 771 . 7 1 1 A 65 65 GLU C C 63 179.279 179.460 -0.181 1 1 772 . 7 1 1 A 65 65 GLU CA C 63 60.301 59.855 0.446 1 1 773 . 7 1 1 A 65 65 GLU CB C 63 29.870 29.391 0.479 1 1 775 . 7 1 1 A 65 65 GLU N N 63 118.616 117.604 1.012 1 1 776 . 7 1 1 A 66 66 LYS H H 64 7.575 8.125 -0.550 1 1 777 . 7 1 1 A 66 66 LYS HA H 64 4.225 4.055 0.170 1 1 786 . 7 1 1 A 66 66 LYS C C 64 178.457 178.881 -0.424 1 1 787 . 7 1 1 A 66 66 LYS CA C 64 58.496 59.226 -0.730 1 1 788 . 7 1 1 A 66 66 LYS CB C 64 32.400 31.867 0.533 1 1 792 . 7 1 1 A 66 66 LYS N N 64 117.166 118.512 -1.346 1 1 793 . 7 1 1 A 67 67 CYS H H 65 7.918 8.235 -0.317 1 1 794 . 7 1 1 A 67 67 CYS HA H 65 4.526 4.052 0.474 1 1 797 . 7 1 1 A 67 67 CYS C C 65 174.893 177.120 -2.227 1 1 798 . 7 1 1 A 67 67 CYS CA C 65 56.329 63.638 -7.309 1 1 799 . 7 1 1 A 67 67 CYS CB C 65 45.235 27.249 17.986 1 1 800 . 7 1 1 A 67 67 CYS N N 65 115.330 118.262 -2.932 1 1 801 . 7 1 1 A 68 68 LEU H H 66 7.559 8.506 -0.947 1 1 802 . 7 1 1 A 68 68 LEU HA H 66 4.491 4.038 0.453 1 1 812 . 7 1 1 A 68 68 LEU C C 66 176.812 178.335 -1.523 1 1 813 . 7 1 1 A 68 68 LEU CA C 66 55.366 58.541 -3.175 1 1 814 . 7 1 1 A 68 68 LEU CB C 66 43.278 41.947 1.331 1 1 818 . 7 1 1 A 68 68 LEU N N 66 120.930 122.796 -1.866 1 1 819 . 7 1 1 A 69 69 ASN H H 67 8.265 8.556 -0.291 1 1 820 . 7 1 1 A 69 69 ASN HA H 67 4.669 4.603 0.066 1 1 825 . 7 1 1 A 69 69 ASN CA C 67 53.761 55.689 -1.928 1 1 826 . 7 1 1 A 69 69 ASN CB C 67 39.069 39.243 -0.174 1 1 827 . 7 1 1 A 69 69 ASN N N 67 120.279 116.557 3.722 1 1 852 . 7 2 2 B 4 4 GLU H H 102 8.342 7.954 0.388 1 1 853 . 7 2 2 B 4 4 GLU HA H 102 4.282 4.660 -0.378 1 1 858 . 7 2 2 B 4 4 GLU C C 102 177.132 176.645 0.487 1 1 859 . 7 2 2 B 4 4 GLU CA C 102 57.410 55.245 2.165 1 1 861 . 7 2 2 B 4 4 GLU N N 102 121.884 117.890 3.994 1 1 862 . 7 2 2 B 5 5 GLY H H 103 8.331 9.061 -0.730 1 1 863 . 7 2 2 B 5 5 GLY HA2 H 103 3.960 3.885 0.075 1 1 864 . 7 2 2 B 5 5 GLY HA3 H 103 3.960 3.891 0.069 1 1 865 . 7 2 2 B 5 5 GLY C C 103 174.207 174.901 -0.694 1 1 866 . 7 2 2 B 5 5 GLY CA C 103 45.731 47.013 -1.282 1 1 867 . 7 2 2 B 5 5 GLY N N 103 110.055 112.627 -2.572 1 1 868 . 7 2 2 B 6 6 ILE H H 104 7.831 8.261 -0.430 1 1 869 . 7 2 2 B 6 6 ILE HA H 104 4.286 4.087 0.199 1 1 879 . 7 2 2 B 6 6 ILE C C 104 176.401 174.905 1.496 1 1 880 . 7 2 2 B 6 6 ILE CA C 104 61.558 61.716 -0.158 1 1 881 . 7 2 2 B 6 6 ILE CB C 104 39.436 38.176 1.260 1 1 885 . 7 2 2 B 6 6 ILE N N 104 119.606 121.254 -1.648 1 1 886 . 7 2 2 B 7 7 SER H H 105 8.350 8.685 -0.335 1 1 887 . 7 2 2 B 7 7 SER HA H 105 4.545 5.266 -0.721 1 1 890 . 7 2 2 B 7 7 SER C C 105 174.550 174.064 0.486 1 1 891 . 7 2 2 B 7 7 SER CA C 105 58.667 56.629 2.038 1 1 892 . 7 2 2 B 7 7 SER CB C 105 64.072 63.720 0.352 1 1 893 . 7 2 2 B 7 7 SER N N 105 119.853 120.672 -0.819 1 1 894 . 7 2 2 B 8 8 ILE H H 106 7.921 8.846 -0.925 1 1 895 . 7 2 2 B 8 8 ILE HA H 106 4.205 4.331 -0.126 1 1 905 . 7 2 2 B 8 8 ILE C C 106 175.921 175.783 0.138 1 1 906 . 7 2 2 B 8 8 ILE CA C 106 61.935 62.443 -0.508 1 1 907 . 7 2 2 B 8 8 ILE CB C 106 39.436 39.541 -0.105 1 1 911 . 7 2 2 B 8 8 ILE N N 106 121.730 125.294 -3.564 1 1 912 . 7 2 2 B 9 9 TYR H H 107 8.166 8.544 -0.378 1 1 913 . 7 2 2 B 9 9 TYR HA H 107 4.713 5.154 -0.441 1 1 920 . 7 2 2 B 9 9 TYR C C 107 176.058 173.842 2.216 1 1 921 . 7 2 2 B 9 9 TYR CA C 107 58.165 55.445 2.720 1 1 922 . 7 2 2 B 9 9 TYR CB C 107 39.436 41.349 -1.913 1 1 925 . 7 2 2 B 9 9 TYR N N 107 123.598 117.390 6.208 1 1 926 . 7 2 2 B 10 10 THR H H 108 7.961 8.446 -0.485 1 1 927 . 7 2 2 B 10 10 THR HA H 108 4.433 5.010 -0.577 1 1 932 . 7 2 2 B 10 10 THR C C 108 174.459 173.843 0.616 1 1 933 . 7 2 2 B 10 10 THR CA C 108 62.061 60.892 1.169 1 1 934 . 7 2 2 B 10 10 THR CB C 108 70.608 72.215 -1.607 1 1 936 . 7 2 2 B 10 10 THR N N 108 115.642 114.120 1.522 1 1 937 . 7 2 2 B 11 11 SER H H 109 8.211 8.653 -0.442 1 1 938 . 7 2 2 B 11 11 SER HA H 109 4.507 4.282 0.225 1 1 941 . 7 2 2 B 11 11 SER C C 109 174.504 174.622 -0.118 1 1 942 . 7 2 2 B 11 11 SER CA C 109 58.919 60.984 -2.065 1 1 943 . 7 2 2 B 11 11 SER CB C 109 64.198 63.707 0.491 1 1 944 . 7 2 2 B 11 11 SER N N 109 117.260 118.072 -0.812 1 1 945 . 7 2 2 B 12 12 ASP H H 110 8.351 8.217 0.134 1 1 946 . 7 2 2 B 12 12 ASP HA H 110 4.631 4.549 0.082 1 1 949 . 7 2 2 B 12 12 ASP C C 110 176.058 176.286 -0.228 1 1 950 . 7 2 2 B 12 12 ASP CA C 110 55.022 54.592 0.430 1 1 951 . 7 2 2 B 12 12 ASP CB C 110 41.825 40.528 1.297 1 1 952 . 7 2 2 B 12 12 ASP N N 110 122.020 120.230 1.790 1 1 953 . 7 2 2 B 13 13 ASN H H 111 8.230 8.809 -0.579 1 1 954 . 7 2 2 B 13 13 ASN HA H 111 4.726 4.504 0.222 1 1 957 . 7 2 2 B 13 13 ASN C C 111 175.030 174.780 0.250 1 1 958 . 7 2 2 B 13 13 ASN CA C 111 53.765 54.105 -0.340 1 1 959 . 7 2 2 B 13 13 ASN CB C 111 39.562 36.528 3.034 1 1 960 . 7 2 2 B 13 13 ASN N N 111 118.317 121.496 -3.179 1 1 961 . 7 2 2 B 14 14 TYR H H 112 8.101 8.028 0.073 1 1 962 . 7 2 2 B 14 14 TYR HA H 112 4.638 4.532 0.106 1 1 969 . 7 2 2 B 14 14 TYR C C 112 176.081 175.786 0.295 1 1 970 . 7 2 2 B 14 14 TYR CA C 112 58.793 59.499 -0.706 1 1 971 . 7 2 2 B 14 14 TYR CB C 112 39.436 39.883 -0.447 1 1 974 . 7 2 2 B 14 14 TYR N N 112 120.850 120.178 0.672 1 1 975 . 7 2 2 B 15 15 THR H H 113 7.879 8.070 -0.191 1 1 976 . 7 2 2 B 15 15 THR HA H 113 4.284 3.966 0.318 1 1 981 . 7 2 2 B 15 15 THR C C 113 174.413 174.685 -0.272 1 1 982 . 7 2 2 B 15 15 THR CA C 113 62.187 62.702 -0.515 1 1 983 . 7 2 2 B 15 15 THR CB C 113 70.341 66.318 4.023 1 1 985 . 7 2 2 B 15 15 THR N N 113 116.126 114.432 1.694 1 1 986 . 7 2 2 B 16 16 GLU H H 114 8.253 7.970 0.283 1 1 987 . 7 2 2 B 16 16 GLU HA H 114 4.256 4.325 -0.069 1 1 992 . 7 2 2 B 16 16 GLU C C 114 176.766 175.368 1.398 1 1 993 . 7 2 2 B 16 16 GLU CA C 114 57.410 56.229 1.181 1 1 994 . 7 2 2 B 16 16 GLU CB C 114 30.620 28.905 1.715 1 1 996 . 7 2 2 B 16 16 GLU N N 114 123.052 121.265 1.787 1 1 997 . 7 2 2 B 17 17 GLU H H 115 8.331 8.296 0.035 1 1 998 . 7 2 2 B 17 17 GLU HA H 115 4.292 4.585 -0.293 1 1 1003 . 7 2 2 B 17 17 GLU C C 115 176.880 176.405 0.475 1 1 1004 . 7 2 2 B 17 17 GLU CA C 115 57.410 57.146 0.264 1 1 1005 . 7 2 2 B 17 17 GLU CB C 115 30.525 32.449 -1.924 1 1 1007 . 7 2 2 B 17 17 GLU N N 115 121.688 123.273 -1.585 1 1 1008 . 7 2 2 B 18 18 MET H H 116 8.317 7.822 0.495 1 1 1009 . 7 2 2 B 18 18 MET HA H 116 4.490 4.712 -0.222 1 1 1014 . 7 2 2 B 18 18 MET C C 116 177.086 175.072 2.014 1 1 1015 . 7 2 2 B 18 18 MET CA C 116 56.279 53.924 2.355 1 1 1016 . 7 2 2 B 18 18 MET CB C 116 33.026 35.184 -2.158 1 1 1017 . 7 2 2 B 18 18 MET N N 116 121.270 115.538 5.732 1 1 1018 . 7 2 2 B 19 19 GLY H H 117 8.320 8.450 -0.130 1 1 1019 . 7 2 2 B 19 19 GLY HA2 H 117 4.054 4.013 0.041 1 1 1020 . 7 2 2 B 19 19 GLY HA3 H 117 4.054 4.048 0.006 1 1 1021 . 7 2 2 B 19 19 GLY C C 117 174.481 173.086 1.395 1 1 1022 . 7 2 2 B 19 19 GLY CA C 117 45.847 45.588 0.259 1 1 1023 . 7 2 2 B 19 19 GLY N N 117 110.055 112.394 -2.339 1 1 1024 . 7 2 2 B 20 20 SER H H 118 8.230 8.083 0.147 1 1 1025 . 7 2 2 B 20 20 SER HA H 118 4.476 5.305 -0.829 1 1 1028 . 7 2 2 B 20 20 SER C C 118 175.327 173.405 1.922 1 1 1029 . 7 2 2 B 20 20 SER CA C 118 58.919 57.269 1.650 1 1 1030 . 7 2 2 B 20 20 SER CB C 118 64.575 66.863 -2.288 1 1 1031 . 7 2 2 B 20 20 SER N N 118 115.664 113.822 1.842 1 1 1032 . 7 2 2 B 21 21 GLY H H 119 8.371 8.455 -0.084 1 1 1033 . 7 2 2 B 21 21 GLY HA2 H 119 3.951 4.172 -0.221 1 1 1034 . 7 2 2 B 21 21 GLY HA3 H 119 3.951 4.173 -0.222 1 1 1035 . 7 2 2 B 21 21 GLY C C 119 174.002 173.098 0.904 1 1 1036 . 7 2 2 B 21 21 GLY CA C 119 45.721 45.409 0.312 1 1 1037 . 7 2 2 B 21 21 GLY N N 119 110.872 109.055 1.817 1 1 1068 . 7 2 2 B 25 25 SER H H 123 8.155 8.640 -0.485 1 1 1069 . 7 2 2 B 25 25 SER HA H 123 4.404 4.831 -0.427 1 1 1072 . 7 2 2 B 25 25 SER C C 123 175.075 173.416 1.659 1 1 1073 . 7 2 2 B 25 25 SER CA C 123 59.347 57.923 1.424 1 1 1074 . 7 2 2 B 25 25 SER CB C 123 63.879 63.813 0.066 1 1 1075 . 7 2 2 B 25 25 SER N N 123 116.126 120.285 -4.159 1 1 1076 . 7 2 2 B 26 26 MET H H 124 8.221 8.763 -0.542 1 1 1077 . 7 2 2 B 26 26 MET HA H 124 4.482 4.902 -0.420 1 1 1082 . 7 2 2 B 26 26 MET C C 124 176.355 174.244 2.111 1 1 1083 . 7 2 2 B 26 26 MET CA C 124 56.279 54.708 1.571 1 1 1084 . 7 2 2 B 26 26 MET CB C 124 32.900 35.866 -2.966 1 1 1086 . 7 2 2 B 26 26 MET N N 124 121.210 125.819 -4.609 1 1 1087 . 7 2 2 B 27 27 LYS H H 125 8.036 8.498 -0.462 1 1 1088 . 7 2 2 B 27 27 LYS HA H 125 4.333 4.898 -0.565 1 1 1097 . 7 2 2 B 27 27 LYS C C 125 176.355 175.473 0.882 1 1 1098 . 7 2 2 B 27 27 LYS CA C 125 56.656 54.832 1.824 1 1 1099 . 7 2 2 B 27 27 LYS CB C 125 33.529 35.450 -1.921 1 1 1103 . 7 2 2 B 27 27 LYS N N 125 121.457 120.540 0.917 1 1 1104 . 7 2 2 B 28 28 GLU H H 126 8.205 8.828 -0.623 1 1 1105 . 7 2 2 B 28 28 GLU N N 126 122.740 117.390 5.350 1 1 1106 . 7 2 2 B 29 29 PRO HA H 127 4.377 4.573 -0.196 1 1 1113 . 7 2 2 B 29 29 PRO C C 127 176.812 175.527 1.285 1 1 1114 . 7 2 2 B 29 29 PRO CA C 127 63.821 62.983 0.838 1 1 1115 . 7 2 2 B 29 29 PRO CB C 127 32.272 31.337 0.935 1 1 1118 . 7 2 2 B 30 30 ALA H H 128 8.273 8.357 -0.084 1 1 1119 . 7 2 2 B 30 30 ALA HA H 128 4.287 4.587 -0.300 1 1 1123 . 7 2 2 B 30 30 ALA C C 128 177.589 177.490 0.099 1 1 1124 . 7 2 2 B 30 30 ALA CA C 128 52.873 50.613 2.260 1 1 1125 . 7 2 2 B 30 30 ALA CB C 128 19.703 19.067 0.636 1 1 1126 . 7 2 2 B 30 30 ALA N N 128 123.577 126.671 -3.094 1 1 1127 . 7 2 2 B 31 31 PHE H H 129 8.019 8.779 -0.760 1 1 1128 . 7 2 2 B 31 31 PHE HA H 129 4.621 4.099 0.522 1 1 1135 . 7 2 2 B 31 31 PHE C C 129 175.624 175.981 -0.357 1 1 1136 . 7 2 2 B 31 31 PHE CA C 129 58.039 61.958 -3.919 1 1 1137 . 7 2 2 B 31 31 PHE CB C 129 40.055 39.029 1.026 1 1 1140 . 7 2 2 B 31 31 PHE N N 129 118.994 124.710 -5.716 1 1 1141 . 7 2 2 B 32 32 ARG H H 130 8.042 7.661 0.381 1 1 1142 . 7 2 2 B 32 32 ARG HA H 130 4.332 4.417 -0.085 1 1 1149 . 7 2 2 B 32 32 ARG C C 130 175.875 174.902 0.973 1 1 1150 . 7 2 2 B 32 32 ARG CA C 130 56.154 54.892 1.262 1 1 1151 . 7 2 2 B 32 32 ARG CB C 130 31.643 29.739 1.904 1 1 1154 . 7 2 2 B 32 32 ARG N N 130 122.929 119.170 3.759 1 1 1155 . 7 2 2 B 33 33 GLU H H 131 8.389 8.676 -0.287 1 1 1156 . 7 2 2 B 33 33 GLU HA H 131 4.276 4.780 -0.504 1 1 1161 . 7 2 2 B 33 33 GLU C C 131 176.766 175.110 1.656 1 1 1162 . 7 2 2 B 33 33 GLU CA C 131 57.285 55.558 1.727 1 1 1163 . 7 2 2 B 33 33 GLU CB C 131 30.512 31.186 -0.674 1 1 1165 . 7 2 2 B 33 33 GLU N N 131 122.719 127.487 -4.768 1 1 1166 . 7 2 2 B 34 34 GLU H H 132 8.502 8.804 -0.302 1 1 1167 . 7 2 2 B 34 34 GLU HA H 132 4.275 4.811 -0.536 1 1 1172 . 7 2 2 B 34 34 GLU C C 132 176.560 175.091 1.469 1 1 1173 . 7 2 2 B 34 34 GLU CA C 132 57.400 55.191 2.209 1 1 1174 . 7 2 2 B 34 34 GLU CB C 132 30.526 30.554 -0.028 1 1 1176 . 7 2 2 B 34 34 GLU N N 132 122.122 127.688 -5.566 1 1 1177 . 7 2 2 B 35 35 ASN H H 133 8.362 8.170 0.192 1 1 1178 . 7 2 2 B 35 35 ASN HA H 133 4.693 5.021 -0.328 1 1 1181 . 7 2 2 B 35 35 ASN C C 133 175.258 175.319 -0.061 1 1 1182 . 7 2 2 B 35 35 ASN CA C 133 53.765 52.925 0.840 1 1 1183 . 7 2 2 B 35 35 ASN CB C 133 39.562 38.455 1.107 1 1 1184 . 7 2 2 B 35 35 ASN N N 133 119.552 123.868 -4.316 1 1 1185 . 7 2 2 B 36 36 ALA H H 134 8.155 8.689 -0.534 1 1 1186 . 7 2 2 B 36 36 ALA HA H 134 4.289 4.528 -0.239 1 1 1190 . 7 2 2 B 36 36 ALA C C 134 177.520 177.161 0.359 1 1 1191 . 7 2 2 B 36 36 ALA CA C 134 52.873 52.936 -0.063 1 1 1192 . 7 2 2 B 36 36 ALA CB C 134 19.703 20.770 -1.067 1 1 1193 . 7 2 2 B 36 36 ALA N N 134 124.376 127.429 -3.053 1 1 1194 . 7 2 2 B 37 37 ASN H H 135 8.210 7.890 0.320 1 1 1195 . 7 2 2 B 37 37 ASN HA H 135 4.694 4.839 -0.145 1 1 1198 . 7 2 2 B 37 37 ASN C C 135 175.144 174.036 1.108 1 1 1199 . 7 2 2 B 37 37 ASN CA C 135 53.640 52.223 1.417 1 1 1200 . 7 2 2 B 37 37 ASN CB C 135 39.311 38.512 0.799 1 1 1201 . 7 2 2 B 37 37 ASN N N 135 117.103 116.757 0.346 1 1 1202 . 7 2 2 B 38 38 PHE H H 136 7.997 9.079 -1.082 1 1 1203 . 7 2 2 B 38 38 PHE HA H 136 4.659 4.692 -0.033 1 1 1210 . 7 2 2 B 38 38 PHE C C 136 175.601 173.999 1.602 1 1 1211 . 7 2 2 B 38 38 PHE CA C 136 58.165 56.940 1.225 1 1 1212 . 7 2 2 B 38 38 PHE CB C 136 39.939 39.474 0.465 1 1 1215 . 7 2 2 B 38 38 PHE N N 136 120.229 128.435 -8.206 1 1 1216 . 7 2 2 B 39 39 ASN H H 137 8.272 8.751 -0.479 1 1 1217 . 7 2 2 B 39 39 ASN HA H 137 4.733 4.797 -0.064 1 1 1220 . 7 2 2 B 39 39 ASN C C 137 174.047 174.027 0.020 1 1 1221 . 7 2 2 B 39 39 ASN CA C 137 53.891 52.193 1.698 1 1 1222 . 7 2 2 B 39 39 ASN CB C 137 39.688 39.822 -0.134 1 1 1223 . 7 2 2 B 39 39 ASN N N 137 120.594 126.439 -5.845 1 1 3 . 8 1 1 A 4 4 PRO HA H 2 4.509 4.720 -0.211 1 1 10 . 8 1 1 A 4 4 PRO C C 2 177.132 176.265 0.867 1 1 11 . 8 1 1 A 4 4 PRO CA C 2 63.529 62.554 0.975 1 1 12 . 8 1 1 A 4 4 PRO CB C 2 32.476 32.684 -0.208 1 1 15 . 8 1 1 A 5 5 VAL H H 3 8.201 8.136 0.065 1 1 16 . 8 1 1 A 5 5 VAL HA H 3 4.152 4.245 -0.093 1 1 24 . 8 1 1 A 5 5 VAL C C 3 176.423 176.334 0.089 1 1 25 . 8 1 1 A 5 5 VAL CA C 3 62.873 61.813 1.060 1 1 26 . 8 1 1 A 5 5 VAL CB C 3 33.455 31.916 1.539 1 1 28 . 8 1 1 A 5 5 VAL N N 3 120.488 116.285 4.203 1 1 29 . 8 1 1 A 6 6 SER H H 4 8.276 7.639 0.637 1 1 30 . 8 1 1 A 6 6 SER HA H 4 4.494 4.447 0.047 1 1 33 . 8 1 1 A 6 6 SER C C 4 174.687 173.981 0.706 1 1 34 . 8 1 1 A 6 6 SER CA C 4 58.375 57.630 0.745 1 1 35 . 8 1 1 A 6 6 SER CB C 4 64.295 64.517 -0.222 1 1 36 . 8 1 1 A 6 6 SER N N 4 119.000 117.930 1.070 1 1 37 . 8 1 1 A 7 7 LEU H H 5 8.238 8.816 -0.578 1 1 38 . 8 1 1 A 7 7 LEU HA H 5 4.406 5.187 -0.781 1 1 44 . 8 1 1 A 7 7 LEU C C 5 177.406 174.951 2.455 1 1 45 . 8 1 1 A 7 7 LEU CA C 5 55.766 53.527 2.239 1 1 46 . 8 1 1 A 7 7 LEU CB C 5 43.132 45.555 -2.423 1 1 48 . 8 1 1 A 7 7 LEU N N 5 124.704 119.660 5.044 1 1 49 . 8 1 1 A 8 8 SER H H 6 8.148 8.805 -0.657 1 1 50 . 8 1 1 A 8 8 SER HA H 6 4.438 4.868 -0.430 1 1 53 . 8 1 1 A 8 8 SER C C 6 174.321 172.564 1.757 1 1 54 . 8 1 1 A 8 8 SER CA C 6 58.718 57.157 1.561 1 1 55 . 8 1 1 A 8 8 SER CB C 6 64.295 67.330 -3.035 1 1 56 . 8 1 1 A 8 8 SER N N 6 115.960 117.239 -1.279 1 1 57 . 8 1 1 A 9 9 TYR H H 7 7.954 8.793 -0.839 1 1 58 . 8 1 1 A 9 9 TYR HA H 7 4.585 5.514 -0.929 1 1 65 . 8 1 1 A 9 9 TYR C C 7 175.532 175.629 -0.097 1 1 66 . 8 1 1 A 9 9 TYR CA C 7 58.335 56.665 1.670 1 1 67 . 8 1 1 A 9 9 TYR CB C 7 39.474 36.384 3.090 1 1 70 . 8 1 1 A 9 9 TYR N N 7 121.884 120.244 1.640 1 1 71 . 8 1 1 A 10 10 ARG H H 8 8.117 7.936 0.181 1 1 72 . 8 1 1 A 10 10 ARG HA H 8 4.349 4.867 -0.518 1 1 79 . 8 1 1 A 10 10 ARG C C 8 175.898 174.858 1.040 1 1 80 . 8 1 1 A 10 10 ARG CA C 8 56.048 53.700 2.348 1 1 81 . 8 1 1 A 10 10 ARG CB C 8 31.492 34.768 -3.276 1 1 84 . 8 1 1 A 10 10 ARG N N 8 121.977 119.959 2.018 1 1 85 . 8 1 1 A 11 11 CYS H H 9 8.127 8.734 -0.607 1 1 86 . 8 1 1 A 11 11 CYS HA H 9 4.984 5.454 -0.470 1 1 89 . 8 1 1 A 11 11 CYS C C 9 177.771 174.238 3.533 1 1 90 . 8 1 1 A 11 11 CYS CA C 9 53.192 54.928 -1.736 1 1 91 . 8 1 1 A 11 11 CYS CB C 9 40.897 42.620 -1.723 1 1 92 . 8 1 1 A 11 11 CYS N N 9 121.209 120.257 0.952 1 1 93 . 8 1 1 A 12 12 PRO HA H 10 4.321 4.370 -0.049 1 1 100 . 8 1 1 A 12 12 PRO CA C 10 65.478 64.184 1.294 1 1 101 . 8 1 1 A 12 12 PRO CB C 10 32.904 31.702 1.202 1 1 104 . 8 1 1 A 13 13 CYS H H 11 8.633 7.486 1.147 1 1 105 . 8 1 1 A 13 13 CYS C C 11 174.618 173.728 0.890 1 1 106 . 8 1 1 A 13 13 CYS N N 11 114.595 113.982 0.613 1 1 107 . 8 1 1 A 14 14 ARG H H 12 8.236 8.773 -0.537 1 1 108 . 8 1 1 A 14 14 ARG HA H 12 4.067 3.997 0.070 1 1 115 . 8 1 1 A 14 14 ARG C C 12 175.098 175.094 0.004 1 1 116 . 8 1 1 A 14 14 ARG CA C 12 57.370 57.678 -0.308 1 1 117 . 8 1 1 A 14 14 ARG CB C 12 31.631 30.829 0.802 1 1 120 . 8 1 1 A 14 14 ARG N N 12 122.779 124.176 -1.397 1 1 121 . 8 1 1 A 15 15 PHE H H 13 7.615 7.635 -0.020 1 1 122 . 8 1 1 A 15 15 PHE HA H 13 4.510 4.815 -0.305 1 1 129 . 8 1 1 A 15 15 PHE C C 13 174.162 175.307 -1.145 1 1 130 . 8 1 1 A 15 15 PHE CA C 13 56.289 56.472 -0.183 1 1 131 . 8 1 1 A 15 15 PHE CB C 13 41.320 42.868 -1.548 1 1 134 . 8 1 1 A 15 15 PHE N N 13 116.797 114.416 2.381 1 1 135 . 8 1 1 A 16 16 PHE H H 14 8.125 7.950 0.175 1 1 136 . 8 1 1 A 16 16 PHE HA H 14 4.767 5.114 -0.347 1 1 143 . 8 1 1 A 16 16 PHE C C 14 175.441 173.908 1.533 1 1 144 . 8 1 1 A 16 16 PHE CA C 14 55.767 55.536 0.231 1 1 145 . 8 1 1 A 16 16 PHE CB C 14 41.320 40.538 0.782 1 1 148 . 8 1 1 A 16 16 PHE N N 14 118.930 119.258 -0.328 1 1 149 . 8 1 1 A 17 17 GLU H H 15 8.836 9.320 -0.484 1 1 150 . 8 1 1 A 17 17 GLU HA H 15 4.579 4.590 -0.011 1 1 155 . 8 1 1 A 17 17 GLU C C 15 176.857 176.871 -0.014 1 1 156 . 8 1 1 A 17 17 GLU CA C 15 56.289 55.101 1.188 1 1 157 . 8 1 1 A 17 17 GLU CB C 15 31.173 30.400 0.773 1 1 159 . 8 1 1 A 17 17 GLU N N 15 122.929 123.372 -0.443 1 1 160 . 8 1 1 A 18 18 SER H H 16 8.751 8.889 -0.138 1 1 161 . 8 1 1 A 18 18 SER HA H 16 4.762 4.490 0.272 1 1 164 . 8 1 1 A 18 18 SER C C 16 177.497 175.077 2.420 1 1 165 . 8 1 1 A 18 18 SER CA C 16 59.328 59.982 -0.654 1 1 166 . 8 1 1 A 18 18 SER CB C 16 64.515 63.805 0.710 1 1 167 . 8 1 1 A 18 18 SER N N 16 118.860 121.442 -2.582 1 1 168 . 8 1 1 A 19 19 HIS H H 17 8.761 7.968 0.793 1 1 169 . 8 1 1 A 19 19 HIS HA H 17 4.859 4.768 0.091 1 1 174 . 8 1 1 A 19 19 HIS C C 17 174.618 174.072 0.546 1 1 175 . 8 1 1 A 19 19 HIS CA C 17 56.449 55.182 1.267 1 1 176 . 8 1 1 A 19 19 HIS CB C 17 29.870 27.979 1.891 1 1 179 . 8 1 1 A 19 19 HIS N N 17 120.535 120.251 0.284 1 1 180 . 8 1 1 A 20 20 VAL H H 18 7.157 8.537 -1.380 1 1 181 . 8 1 1 A 20 20 VAL HA H 18 4.181 4.755 -0.574 1 1 189 . 8 1 1 A 20 20 VAL C C 18 174.436 173.179 1.257 1 1 190 . 8 1 1 A 20 20 VAL CA C 18 62.167 60.380 1.787 1 1 191 . 8 1 1 A 20 20 VAL CB C 18 34.426 35.932 -1.506 1 1 193 . 8 1 1 A 20 20 VAL N N 18 120.872 123.260 -2.388 1 1 194 . 8 1 1 A 21 21 ALA H H 19 8.521 8.516 0.005 1 1 195 . 8 1 1 A 21 21 ALA HA H 19 4.372 4.422 -0.050 1 1 199 . 8 1 1 A 21 21 ALA C C 19 177.657 178.312 -0.655 1 1 200 . 8 1 1 A 21 21 ALA CA C 19 51.193 50.199 0.994 1 1 201 . 8 1 1 A 21 21 ALA CB C 19 19.790 20.239 -0.449 1 1 202 . 8 1 1 A 21 21 ALA N N 19 131.339 129.894 1.445 1 1 203 . 8 1 1 A 22 22 ARG H H 20 7.790 7.975 -0.185 1 1 204 . 8 1 1 A 22 22 ARG HA H 20 2.445 3.565 -1.120 1 1 211 . 8 1 1 A 22 22 ARG C C 20 178.365 177.376 0.989 1 1 212 . 8 1 1 A 22 22 ARG CA C 20 59.379 57.721 1.658 1 1 213 . 8 1 1 A 22 22 ARG CB C 20 29.572 29.181 0.391 1 1 216 . 8 1 1 A 22 22 ARG N N 20 124.365 122.805 1.560 1 1 217 . 8 1 1 A 23 23 ALA H H 21 8.120 7.413 0.707 1 1 218 . 8 1 1 A 23 23 ALA HA H 21 4.060 4.126 -0.066 1 1 222 . 8 1 1 A 23 23 ALA C C 21 178.000 177.726 0.274 1 1 223 . 8 1 1 A 23 23 ALA CA C 21 54.100 53.791 0.309 1 1 224 . 8 1 1 A 23 23 ALA CB C 21 18.713 18.273 0.440 1 1 225 . 8 1 1 A 23 23 ALA N N 21 117.156 122.845 -5.689 1 1 226 . 8 1 1 A 24 24 ASN H H 22 7.717 7.771 -0.054 1 1 227 . 8 1 1 A 24 24 ASN HA H 22 5.010 4.829 0.181 1 1 232 . 8 1 1 A 24 24 ASN C C 22 174.938 174.708 0.230 1 1 233 . 8 1 1 A 24 24 ASN CA C 22 52.869 52.492 0.377 1 1 234 . 8 1 1 A 24 24 ASN CB C 22 40.573 38.988 1.585 1 1 235 . 8 1 1 A 24 24 ASN N N 22 112.819 115.175 -2.356 1 1 237 . 8 1 1 A 25 25 VAL H H 23 7.489 7.160 0.329 1 1 238 . 8 1 1 A 25 25 VAL HA H 23 4.888 4.286 0.602 1 1 246 . 8 1 1 A 25 25 VAL C C 23 175.829 175.226 0.603 1 1 247 . 8 1 1 A 25 25 VAL CA C 23 59.870 60.196 -0.326 1 1 248 . 8 1 1 A 25 25 VAL CB C 23 35.396 33.513 1.883 1 1 251 . 8 1 1 A 25 25 VAL N N 23 119.721 117.617 2.104 1 1 252 . 8 1 1 A 26 26 LYS H H 24 9.479 9.503 -0.024 1 1 253 . 8 1 1 A 26 26 LYS HA H 24 4.353 4.453 -0.100 1 1 262 . 8 1 1 A 26 26 LYS C C 24 176.606 176.446 0.160 1 1 263 . 8 1 1 A 26 26 LYS CA C 24 58.977 56.917 2.060 1 1 264 . 8 1 1 A 26 26 LYS CB C 24 34.567 33.537 1.030 1 1 268 . 8 1 1 A 26 26 LYS N N 24 127.843 121.726 6.117 1 1 269 . 8 1 1 A 27 27 HIS H H 25 7.237 7.579 -0.342 1 1 270 . 8 1 1 A 27 27 HIS HA H 25 4.979 4.916 0.063 1 1 275 . 8 1 1 A 27 27 HIS C C 25 178.434 172.482 5.952 1 1 276 . 8 1 1 A 27 27 HIS CA C 25 55.406 54.704 0.702 1 1 277 . 8 1 1 A 27 27 HIS CB C 25 32.480 31.223 1.257 1 1 280 . 8 1 1 A 27 27 HIS N N 25 109.556 114.506 -4.950 1 1 281 . 8 1 1 A 28 28 LEU H H 26 8.189 8.814 -0.625 1 1 282 . 8 1 1 A 28 28 LEU HA H 26 5.190 5.162 0.028 1 1 292 . 8 1 1 A 28 28 LEU C C 26 175.510 175.290 0.220 1 1 293 . 8 1 1 A 28 28 LEU CA C 26 53.480 53.333 0.147 1 1 294 . 8 1 1 A 28 28 LEU CB C 26 45.235 44.838 0.397 1 1 298 . 8 1 1 A 28 28 LEU N N 26 117.260 119.877 -2.617 1 1 299 . 8 1 1 A 29 29 LYS H H 27 9.572 9.198 0.374 1 1 300 . 8 1 1 A 29 29 LYS HA H 27 5.372 5.229 0.143 1 1 309 . 8 1 1 A 29 29 LYS C C 27 174.801 174.730 0.071 1 1 310 . 8 1 1 A 29 29 LYS CA C 27 55.165 54.776 0.389 1 1 311 . 8 1 1 A 29 29 LYS CB C 27 35.253 35.532 -0.279 1 1 315 . 8 1 1 A 29 29 LYS N N 27 123.488 124.105 -0.617 1 1 316 . 8 1 1 A 30 30 ILE H H 28 9.136 9.037 0.099 1 1 317 . 8 1 1 A 30 30 ILE HA H 28 4.926 5.135 -0.209 1 1 327 . 8 1 1 A 30 30 ILE C C 28 176.949 175.089 1.860 1 1 328 . 8 1 1 A 30 30 ILE CA C 28 60.542 59.562 0.980 1 1 329 . 8 1 1 A 30 30 ILE CB C 28 39.600 40.608 -1.008 1 1 333 . 8 1 1 A 30 30 ILE N N 28 123.846 127.514 -3.668 1 1 334 . 8 1 1 A 31 31 LEU H H 29 8.830 9.069 -0.239 1 1 335 . 8 1 1 A 31 31 LEU HA H 29 4.535 4.938 -0.403 1 1 344 . 8 1 1 A 31 31 LEU C C 29 176.012 175.353 0.659 1 1 345 . 8 1 1 A 31 31 LEU CA C 29 55.366 53.599 1.767 1 1 346 . 8 1 1 A 31 31 LEU CB C 29 43.180 46.296 -3.116 1 1 349 . 8 1 1 A 31 31 LEU N N 29 128.649 126.899 1.750 1 1 350 . 8 1 1 A 32 32 ASN H H 30 8.216 8.822 -0.606 1 1 351 . 8 1 1 A 32 32 ASN HA H 30 5.013 5.240 -0.227 1 1 356 . 8 1 1 A 32 32 ASN C C 30 174.664 175.452 -0.788 1 1 357 . 8 1 1 A 32 32 ASN CA C 30 52.517 52.508 0.009 1 1 358 . 8 1 1 A 32 32 ASN CB C 30 38.776 39.183 -0.407 1 1 359 . 8 1 1 A 32 32 ASN N N 30 120.791 121.845 -1.054 1 1 361 . 8 1 1 A 33 33 THR H H 31 7.883 8.805 -0.922 1 1 362 . 8 1 1 A 33 33 THR HA H 31 4.842 4.805 0.037 1 1 367 . 8 1 1 A 33 33 THR CA C 31 58.369 60.153 -1.784 1 1 368 . 8 1 1 A 33 33 THR CB C 31 70.018 68.935 1.083 1 1 370 . 8 1 1 A 33 33 THR N N 31 115.811 117.958 -2.147 1 1 371 . 8 1 1 A 34 34 PRO HA H 32 4.317 4.463 -0.146 1 1 378 . 8 1 1 A 34 34 PRO CA C 32 65.164 62.330 2.834 1 1 379 . 8 1 1 A 34 34 PRO CB C 32 32.484 29.864 2.620 1 1 382 . 8 1 1 A 35 35 ASN H H 33 8.254 8.517 -0.263 1 1 383 . 8 1 1 A 35 35 ASN HA H 33 4.651 4.860 -0.209 1 1 388 . 8 1 1 A 35 35 ASN C C 33 174.710 174.275 0.435 1 1 389 . 8 1 1 A 35 35 ASN CA C 33 54.532 53.947 0.585 1 1 390 . 8 1 1 A 35 35 ASN CB C 33 39.167 41.138 -1.971 1 1 391 . 8 1 1 A 35 35 ASN N N 33 120.081 120.742 -0.661 1 1 393 . 8 1 1 A 36 36 CYS H H 34 7.548 8.188 -0.640 1 1 394 . 8 1 1 A 36 36 CYS HA H 34 4.694 4.977 -0.283 1 1 397 . 8 1 1 A 36 36 CYS C C 34 173.865 173.521 0.344 1 1 398 . 8 1 1 A 36 36 CYS CA C 34 55.447 54.714 0.733 1 1 399 . 8 1 1 A 36 36 CYS CB C 34 45.228 46.682 -1.454 1 1 400 . 8 1 1 A 36 36 CYS N N 34 117.076 116.553 0.523 1 1 401 . 8 1 1 A 37 37 ALA H H 35 8.472 8.560 -0.088 1 1 402 . 8 1 1 A 37 37 ALA HA H 35 4.236 4.380 -0.144 1 1 406 . 8 1 1 A 37 37 ALA C C 35 176.423 177.293 -0.870 1 1 407 . 8 1 1 A 37 37 ALA CA C 35 53.537 51.678 1.859 1 1 408 . 8 1 1 A 37 37 ALA CB C 35 19.202 20.232 -1.030 1 1 409 . 8 1 1 A 37 37 ALA N N 35 125.153 125.016 0.137 1 1 410 . 8 1 1 A 38 38 CYS H H 36 8.316 8.427 -0.111 1 1 411 . 8 1 1 A 38 38 CYS HA H 36 4.196 4.645 -0.449 1 1 414 . 8 1 1 A 38 38 CYS C C 36 173.705 173.932 -0.227 1 1 415 . 8 1 1 A 38 38 CYS CA C 36 58.616 60.056 -1.440 1 1 416 . 8 1 1 A 38 38 CYS CB C 36 45.705 27.709 17.996 1 1 417 . 8 1 1 A 38 38 CYS N N 36 118.837 118.152 0.685 1 1 418 . 8 1 1 A 39 39 GLN H H 37 8.921 8.428 0.493 1 1 419 . 8 1 1 A 39 39 GLN HA H 37 4.609 4.639 -0.030 1 1 426 . 8 1 1 A 39 39 GLN C C 37 173.636 173.475 0.161 1 1 427 . 8 1 1 A 39 39 GLN CA C 37 54.603 55.076 -0.473 1 1 428 . 8 1 1 A 39 39 GLN CB C 37 31.761 32.720 -0.959 1 1 430 . 8 1 1 A 39 39 GLN N N 37 128.567 125.524 3.043 1 1 432 . 8 1 1 A 40 40 ILE H H 38 8.893 8.360 0.533 1 1 433 . 8 1 1 A 40 40 ILE HA H 38 5.068 4.950 0.118 1 1 443 . 8 1 1 A 40 40 ILE C C 38 174.390 175.223 -0.833 1 1 444 . 8 1 1 A 40 40 ILE CA C 38 60.582 59.928 0.654 1 1 445 . 8 1 1 A 40 40 ILE CB C 38 40.048 39.833 0.215 1 1 449 . 8 1 1 A 40 40 ILE N N 38 123.962 127.557 -3.595 1 1 450 . 8 1 1 A 41 41 VAL H H 39 9.120 9.439 -0.319 1 1 451 . 8 1 1 A 41 41 VAL HA H 39 4.845 4.920 -0.075 1 1 459 . 8 1 1 A 41 41 VAL C C 39 175.487 174.689 0.798 1 1 460 . 8 1 1 A 41 41 VAL CA C 39 59.980 60.867 -0.887 1 1 461 . 8 1 1 A 41 41 VAL CB C 39 35.868 34.274 1.594 1 1 464 . 8 1 1 A 41 41 VAL N N 39 126.354 126.724 -0.370 1 1 465 . 8 1 1 A 42 42 ALA H H 40 9.513 9.253 0.260 1 1 466 . 8 1 1 A 42 42 ALA HA H 40 5.154 5.171 -0.017 1 1 470 . 8 1 1 A 42 42 ALA C C 40 175.944 175.683 0.261 1 1 471 . 8 1 1 A 42 42 ALA CA C 40 50.591 50.050 0.541 1 1 472 . 8 1 1 A 42 42 ALA CB C 40 22.432 23.081 -0.649 1 1 473 . 8 1 1 A 42 42 ALA N N 40 128.406 129.094 -0.688 1 1 474 . 8 1 1 A 43 43 ARG H H 41 7.717 7.810 -0.093 1 1 475 . 8 1 1 A 43 43 ARG HA H 41 4.979 4.687 0.292 1 1 482 . 8 1 1 A 43 43 ARG C C 41 175.510 175.357 0.153 1 1 483 . 8 1 1 A 43 43 ARG CA C 41 54.162 55.559 -1.397 1 1 484 . 8 1 1 A 43 43 ARG CB C 41 31.200 31.175 0.025 1 1 487 . 8 1 1 A 43 43 ARG N N 41 121.663 121.314 0.349 1 1 488 . 8 1 1 A 44 44 LEU H H 42 9.163 8.761 0.402 1 1 489 . 8 1 1 A 44 44 LEU HA H 42 5.033 4.622 0.411 1 1 499 . 8 1 1 A 44 44 LEU C C 42 177.840 177.873 -0.033 1 1 500 . 8 1 1 A 44 44 LEU CA C 42 54.724 54.136 0.588 1 1 501 . 8 1 1 A 44 44 LEU CB C 42 41.712 42.181 -0.469 1 1 505 . 8 1 1 A 44 44 LEU N N 42 129.087 125.866 3.221 1 1 506 . 8 1 1 A 45 45 LYS H H 43 8.417 8.331 0.086 1 1 507 . 8 1 1 A 45 45 LYS HA H 43 3.950 4.110 -0.160 1 1 516 . 8 1 1 A 45 45 LYS CA C 43 59.016 58.651 0.365 1 1 517 . 8 1 1 A 45 45 LYS CB C 43 34.102 32.222 1.880 1 1 520 . 8 1 1 A 45 45 LYS N N 43 119.674 121.838 -2.164 1 1 521 . 8 1 1 A 48 48 ASN HA H 46 4.723 4.847 -0.124 1 1 526 . 8 1 1 A 48 48 ASN C C 46 175.098 175.105 -0.007 1 1 527 . 8 1 1 A 48 48 ASN CA C 46 54.764 53.053 1.711 1 1 528 . 8 1 1 A 48 48 ASN CB C 46 39.265 39.905 -0.640 1 1 530 . 8 1 1 A 49 49 ARG H H 47 7.919 8.799 -0.880 1 1 531 . 8 1 1 A 49 49 ARG HA H 47 4.353 5.026 -0.673 1 1 538 . 8 1 1 A 49 49 ARG C C 47 175.601 174.723 0.878 1 1 539 . 8 1 1 A 49 49 ARG CA C 47 57.051 54.260 2.791 1 1 540 . 8 1 1 A 49 49 ARG CB C 47 32.121 31.763 0.358 1 1 543 . 8 1 1 A 49 49 ARG N N 47 119.826 117.097 2.729 1 1 544 . 8 1 1 A 50 50 GLN H H 48 8.547 8.325 0.222 1 1 545 . 8 1 1 A 50 50 GLN HA H 48 5.456 4.980 0.476 1 1 552 . 8 1 1 A 50 50 GLN C C 48 175.578 175.357 0.221 1 1 553 . 8 1 1 A 50 50 GLN CA C 48 55.125 54.993 0.132 1 1 554 . 8 1 1 A 50 50 GLN CB C 48 32.121 29.677 2.444 1 1 556 . 8 1 1 A 50 50 GLN N N 48 120.767 116.339 4.428 1 1 558 . 8 1 1 A 51 51 VAL H H 49 8.630 8.999 -0.369 1 1 559 . 8 1 1 A 51 51 VAL HA H 49 4.826 4.876 -0.050 1 1 567 . 8 1 1 A 51 51 VAL C C 49 175.258 174.916 0.342 1 1 568 . 8 1 1 A 51 51 VAL CA C 49 59.338 59.890 -0.552 1 1 569 . 8 1 1 A 51 51 VAL CB C 49 36.155 33.924 2.231 1 1 572 . 8 1 1 A 51 51 VAL N N 49 116.678 117.269 -0.591 1 1 573 . 8 1 1 A 52 52 CYS H H 50 9.100 8.631 0.469 1 1 574 . 8 1 1 A 52 52 CYS HA H 50 5.301 5.058 0.243 1 1 577 . 8 1 1 A 52 52 CYS C C 50 174.527 173.646 0.881 1 1 578 . 8 1 1 A 52 52 CYS CA C 50 58.054 55.868 2.186 1 1 579 . 8 1 1 A 52 52 CYS CB C 50 43.375 42.331 1.044 1 1 580 . 8 1 1 A 52 52 CYS N N 50 124.549 121.716 2.833 1 1 581 . 8 1 1 A 53 53 ILE H H 51 8.485 9.499 -1.014 1 1 582 . 8 1 1 A 53 53 ILE HA H 51 4.964 4.735 0.229 1 1 592 . 8 1 1 A 53 53 ILE C C 51 173.019 174.854 -1.835 1 1 593 . 8 1 1 A 53 53 ILE CA C 51 58.897 60.067 -1.170 1 1 594 . 8 1 1 A 53 53 ILE CB C 51 42.201 40.542 1.659 1 1 598 . 8 1 1 A 53 53 ILE N N 51 122.581 125.590 -3.009 1 1 599 . 8 1 1 A 54 54 ASP H H 52 7.661 8.365 -0.704 1 1 600 . 8 1 1 A 54 54 ASP HA H 52 3.642 4.298 -0.656 1 1 603 . 8 1 1 A 54 54 ASP CA C 52 51.574 51.577 -0.003 1 1 604 . 8 1 1 A 54 54 ASP CB C 52 42.515 41.949 0.566 1 1 605 . 8 1 1 A 54 54 ASP N N 52 125.772 126.929 -1.157 1 1 606 . 8 1 1 A 55 55 PRO HA H 53 4.025 4.279 -0.254 1 1 613 . 8 1 1 A 55 55 PRO C C 53 176.126 176.731 -0.605 1 1 614 . 8 1 1 A 55 55 PRO CA C 53 63.993 63.990 0.003 1 1 615 . 8 1 1 A 55 55 PRO CB C 53 33.002 31.530 1.472 1 1 618 . 8 1 1 A 56 56 LYS H H 54 7.931 7.979 -0.048 1 1 619 . 8 1 1 A 56 56 LYS HA H 54 3.988 4.340 -0.352 1 1 628 . 8 1 1 A 56 56 LYS C C 54 177.931 176.280 1.651 1 1 629 . 8 1 1 A 56 56 LYS CA C 54 56.770 55.956 0.814 1 1 630 . 8 1 1 A 56 56 LYS CB C 54 32.023 33.111 -1.088 1 1 634 . 8 1 1 A 56 56 LYS N N 54 112.924 115.973 -3.049 1 1 635 . 8 1 1 A 57 57 LEU H H 55 7.162 7.085 0.077 1 1 636 . 8 1 1 A 57 57 LEU HA H 55 4.059 4.096 -0.037 1 1 646 . 8 1 1 A 57 57 LEU C C 55 179.416 178.080 1.336 1 1 647 . 8 1 1 A 57 57 LEU CA C 55 56.088 55.099 0.989 1 1 648 . 8 1 1 A 57 57 LEU CB C 55 42.191 42.174 0.017 1 1 652 . 8 1 1 A 57 57 LEU N N 55 120.593 121.877 -1.284 1 1 653 . 8 1 1 A 58 58 LYS H H 56 8.720 9.005 -0.285 1 1 654 . 8 1 1 A 58 58 LYS HA H 56 3.920 3.852 0.068 1 1 663 . 8 1 1 A 58 58 LYS C C 56 178.937 178.025 0.912 1 1 664 . 8 1 1 A 58 58 LYS CA C 56 60.301 59.939 0.362 1 1 665 . 8 1 1 A 58 58 LYS CB C 56 32.121 32.372 -0.251 1 1 669 . 8 1 1 A 58 58 LYS N N 56 125.479 124.943 0.536 1 1 670 . 8 1 1 A 59 59 TRP H H 57 7.811 8.328 -0.517 1 1 671 . 8 1 1 A 59 59 TRP HA H 57 4.664 4.512 0.152 1 1 680 . 8 1 1 A 59 59 TRP C C 57 178.868 179.360 -0.492 1 1 681 . 8 1 1 A 59 59 TRP CA C 57 58.897 59.856 -0.959 1 1 682 . 8 1 1 A 59 59 TRP CB C 57 28.036 28.134 -0.098 1 1 688 . 8 1 1 A 59 59 TRP N N 57 113.433 119.104 -5.671 1 1 690 . 8 1 1 A 60 60 ILE H H 58 6.467 7.429 -0.962 1 1 691 . 8 1 1 A 60 60 ILE HA H 58 3.325 3.404 -0.079 1 1 701 . 8 1 1 A 60 60 ILE C C 58 177.726 177.767 -0.041 1 1 702 . 8 1 1 A 60 60 ILE CA C 58 64.314 64.805 -0.491 1 1 703 . 8 1 1 A 60 60 ILE CB C 58 35.897 37.108 -1.211 1 1 707 . 8 1 1 A 60 60 ILE N N 58 124.379 122.447 1.932 1 1 708 . 8 1 1 A 61 61 GLN H H 59 7.624 8.663 -1.039 1 1 709 . 8 1 1 A 61 61 GLN HA H 59 3.755 3.867 -0.112 1 1 716 . 8 1 1 A 61 61 GLN C C 59 178.434 178.805 -0.371 1 1 717 . 8 1 1 A 61 61 GLN CA C 59 59.379 59.448 -0.069 1 1 718 . 8 1 1 A 61 61 GLN CB C 59 28.602 28.212 0.390 1 1 720 . 8 1 1 A 61 61 GLN N N 59 119.070 118.547 0.523 1 1 722 . 8 1 1 A 62 62 GLU H H 60 8.064 7.831 0.233 1 1 723 . 8 1 1 A 62 62 GLU HA H 60 4.087 4.063 0.024 1 1 728 . 8 1 1 A 62 62 GLU C C 60 179.051 178.211 0.840 1 1 729 . 8 1 1 A 62 62 GLU CA C 60 59.659 59.359 0.300 1 1 730 . 8 1 1 A 62 62 GLU CB C 60 30.457 29.373 1.084 1 1 732 . 8 1 1 A 62 62 GLU N N 60 117.166 119.670 -2.504 1 1 733 . 8 1 1 A 63 63 TYR H H 61 7.924 8.263 -0.339 1 1 734 . 8 1 1 A 63 63 TYR HA H 61 4.254 4.276 -0.022 1 1 741 . 8 1 1 A 63 63 TYR C C 61 178.617 177.610 1.007 1 1 742 . 8 1 1 A 63 63 TYR CA C 61 61.184 61.556 -0.372 1 1 743 . 8 1 1 A 63 63 TYR CB C 61 39.461 38.364 1.097 1 1 746 . 8 1 1 A 63 63 TYR N N 61 121.271 122.663 -1.392 1 1 747 . 8 1 1 A 64 64 LEU H H 62 8.260 9.206 -0.946 1 1 748 . 8 1 1 A 64 64 LEU HA H 62 3.966 3.976 -0.010 1 1 758 . 8 1 1 A 64 64 LEU C C 62 179.553 179.454 0.099 1 1 759 . 8 1 1 A 64 64 LEU CA C 62 58.014 58.370 -0.356 1 1 760 . 8 1 1 A 64 64 LEU CB C 62 42.397 41.682 0.715 1 1 764 . 8 1 1 A 64 64 LEU N N 62 116.299 120.306 -4.007 1 1 765 . 8 1 1 A 65 65 GLU H H 63 8.454 7.901 0.553 1 1 766 . 8 1 1 A 65 65 GLU HA H 63 3.854 3.998 -0.144 1 1 771 . 8 1 1 A 65 65 GLU C C 63 179.279 179.189 0.090 1 1 772 . 8 1 1 A 65 65 GLU CA C 63 60.301 59.542 0.759 1 1 773 . 8 1 1 A 65 65 GLU CB C 63 29.870 29.199 0.671 1 1 775 . 8 1 1 A 65 65 GLU N N 63 118.616 117.611 1.005 1 1 776 . 8 1 1 A 66 66 LYS H H 64 7.575 8.481 -0.906 1 1 777 . 8 1 1 A 66 66 LYS HA H 64 4.225 4.063 0.162 1 1 786 . 8 1 1 A 66 66 LYS C C 64 178.457 178.601 -0.144 1 1 787 . 8 1 1 A 66 66 LYS CA C 64 58.496 59.114 -0.618 1 1 788 . 8 1 1 A 66 66 LYS CB C 64 32.400 31.879 0.521 1 1 792 . 8 1 1 A 66 66 LYS N N 64 117.166 118.396 -1.230 1 1 793 . 8 1 1 A 67 67 CYS H H 65 7.918 7.859 0.059 1 1 794 . 8 1 1 A 67 67 CYS HA H 65 4.526 4.136 0.390 1 1 797 . 8 1 1 A 67 67 CYS C C 65 174.893 177.429 -2.536 1 1 798 . 8 1 1 A 67 67 CYS CA C 65 56.329 61.985 -5.656 1 1 799 . 8 1 1 A 67 67 CYS CB C 65 45.235 27.096 18.139 1 1 800 . 8 1 1 A 67 67 CYS N N 65 115.330 118.959 -3.629 1 1 801 . 8 1 1 A 68 68 LEU H H 66 7.559 8.431 -0.872 1 1 802 . 8 1 1 A 68 68 LEU HA H 66 4.491 4.002 0.489 1 1 812 . 8 1 1 A 68 68 LEU C C 66 176.812 178.361 -1.549 1 1 813 . 8 1 1 A 68 68 LEU CA C 66 55.366 58.521 -3.155 1 1 814 . 8 1 1 A 68 68 LEU CB C 66 43.278 41.789 1.489 1 1 818 . 8 1 1 A 68 68 LEU N N 66 120.930 122.226 -1.296 1 1 819 . 8 1 1 A 69 69 ASN H H 67 8.265 7.644 0.621 1 1 820 . 8 1 1 A 69 69 ASN HA H 67 4.669 4.622 0.047 1 1 825 . 8 1 1 A 69 69 ASN CA C 67 53.761 55.110 -1.349 1 1 826 . 8 1 1 A 69 69 ASN CB C 67 39.069 39.190 -0.121 1 1 827 . 8 1 1 A 69 69 ASN N N 67 120.279 117.155 3.124 1 1 852 . 8 2 2 B 4 4 GLU H H 102 8.342 7.558 0.784 1 1 853 . 8 2 2 B 4 4 GLU HA H 102 4.282 4.399 -0.117 1 1 858 . 8 2 2 B 4 4 GLU C C 102 177.132 177.300 -0.168 1 1 859 . 8 2 2 B 4 4 GLU CA C 102 57.410 56.537 0.873 1 1 861 . 8 2 2 B 4 4 GLU N N 102 121.884 118.559 3.325 1 1 862 . 8 2 2 B 5 5 GLY H H 103 8.331 8.595 -0.264 1 1 863 . 8 2 2 B 5 5 GLY HA2 H 103 3.960 3.795 0.165 1 1 864 . 8 2 2 B 5 5 GLY HA3 H 103 3.960 3.798 0.162 1 1 865 . 8 2 2 B 5 5 GLY C C 103 174.207 174.495 -0.288 1 1 866 . 8 2 2 B 5 5 GLY CA C 103 45.731 46.884 -1.153 1 1 867 . 8 2 2 B 5 5 GLY N N 103 110.055 111.154 -1.099 1 1 868 . 8 2 2 B 6 6 ILE H H 104 7.831 7.511 0.320 1 1 869 . 8 2 2 B 6 6 ILE HA H 104 4.286 4.251 0.035 1 1 879 . 8 2 2 B 6 6 ILE C C 104 176.401 175.433 0.968 1 1 880 . 8 2 2 B 6 6 ILE CA C 104 61.558 60.823 0.735 1 1 881 . 8 2 2 B 6 6 ILE CB C 104 39.436 36.417 3.019 1 1 885 . 8 2 2 B 6 6 ILE N N 104 119.606 119.987 -0.381 1 1 886 . 8 2 2 B 7 7 SER H H 105 8.350 7.811 0.539 1 1 887 . 8 2 2 B 7 7 SER HA H 105 4.545 4.742 -0.197 1 1 890 . 8 2 2 B 7 7 SER C C 105 174.550 173.213 1.337 1 1 891 . 8 2 2 B 7 7 SER CA C 105 58.667 57.674 0.993 1 1 892 . 8 2 2 B 7 7 SER CB C 105 64.072 64.520 -0.448 1 1 893 . 8 2 2 B 7 7 SER N N 105 119.853 122.101 -2.248 1 1 894 . 8 2 2 B 8 8 ILE H H 106 7.921 7.614 0.307 1 1 895 . 8 2 2 B 8 8 ILE HA H 106 4.205 4.479 -0.274 1 1 905 . 8 2 2 B 8 8 ILE C C 106 175.921 174.863 1.058 1 1 906 . 8 2 2 B 8 8 ILE CA C 106 61.935 59.451 2.484 1 1 907 . 8 2 2 B 8 8 ILE CB C 106 39.436 40.389 -0.953 1 1 911 . 8 2 2 B 8 8 ILE N N 106 121.730 122.365 -0.635 1 1 912 . 8 2 2 B 9 9 TYR H H 107 8.166 8.053 0.113 1 1 913 . 8 2 2 B 9 9 TYR HA H 107 4.713 5.145 -0.432 1 1 920 . 8 2 2 B 9 9 TYR C C 107 176.058 174.879 1.179 1 1 921 . 8 2 2 B 9 9 TYR CA C 107 58.165 55.943 2.222 1 1 922 . 8 2 2 B 9 9 TYR CB C 107 39.436 41.014 -1.578 1 1 925 . 8 2 2 B 9 9 TYR N N 107 123.598 126.196 -2.598 1 1 926 . 8 2 2 B 10 10 THR H H 108 7.961 8.938 -0.977 1 1 927 . 8 2 2 B 10 10 THR HA H 108 4.433 4.795 -0.362 1 1 932 . 8 2 2 B 10 10 THR C C 108 174.459 172.927 1.532 1 1 933 . 8 2 2 B 10 10 THR CA C 108 62.061 61.926 0.135 1 1 934 . 8 2 2 B 10 10 THR CB C 108 70.608 69.217 1.391 1 1 936 . 8 2 2 B 10 10 THR N N 108 115.642 116.231 -0.589 1 1 937 . 8 2 2 B 11 11 SER H H 109 8.211 8.996 -0.785 1 1 938 . 8 2 2 B 11 11 SER HA H 109 4.507 4.933 -0.426 1 1 941 . 8 2 2 B 11 11 SER C C 109 174.504 173.478 1.026 1 1 942 . 8 2 2 B 11 11 SER CA C 109 58.919 57.221 1.698 1 1 943 . 8 2 2 B 11 11 SER CB C 109 64.198 64.034 0.164 1 1 944 . 8 2 2 B 11 11 SER N N 109 117.260 122.710 -5.450 1 1 945 . 8 2 2 B 12 12 ASP H H 110 8.351 8.770 -0.419 1 1 946 . 8 2 2 B 12 12 ASP HA H 110 4.631 4.894 -0.263 1 1 949 . 8 2 2 B 12 12 ASP C C 110 176.058 175.633 0.425 1 1 950 . 8 2 2 B 12 12 ASP CA C 110 55.022 52.453 2.569 1 1 951 . 8 2 2 B 12 12 ASP CB C 110 41.825 41.886 -0.061 1 1 952 . 8 2 2 B 12 12 ASP N N 110 122.020 127.671 -5.651 1 1 953 . 8 2 2 B 13 13 ASN H H 111 8.230 8.975 -0.745 1 1 954 . 8 2 2 B 13 13 ASN HA H 111 4.726 4.310 0.416 1 1 957 . 8 2 2 B 13 13 ASN C C 111 175.030 174.543 0.487 1 1 958 . 8 2 2 B 13 13 ASN CA C 111 53.765 54.240 -0.475 1 1 959 . 8 2 2 B 13 13 ASN CB C 111 39.562 36.828 2.734 1 1 960 . 8 2 2 B 13 13 ASN N N 111 118.317 115.806 2.511 1 1 961 . 8 2 2 B 14 14 TYR H H 112 8.101 8.121 -0.020 1 1 962 . 8 2 2 B 14 14 TYR HA H 112 4.638 4.791 -0.153 1 1 969 . 8 2 2 B 14 14 TYR C C 112 176.081 175.879 0.202 1 1 970 . 8 2 2 B 14 14 TYR CA C 112 58.793 59.005 -0.212 1 1 971 . 8 2 2 B 14 14 TYR CB C 112 39.436 39.800 -0.364 1 1 974 . 8 2 2 B 14 14 TYR N N 112 120.850 119.858 0.992 1 1 975 . 8 2 2 B 15 15 THR H H 113 7.879 8.283 -0.404 1 1 976 . 8 2 2 B 15 15 THR HA H 113 4.284 4.060 0.224 1 1 981 . 8 2 2 B 15 15 THR C C 113 174.413 173.468 0.945 1 1 982 . 8 2 2 B 15 15 THR CA C 113 62.187 63.483 -1.296 1 1 983 . 8 2 2 B 15 15 THR CB C 113 70.341 66.754 3.587 1 1 985 . 8 2 2 B 15 15 THR N N 113 116.126 113.614 2.512 1 1 986 . 8 2 2 B 16 16 GLU H H 114 8.253 7.605 0.648 1 1 987 . 8 2 2 B 16 16 GLU HA H 114 4.256 4.122 0.134 1 1 992 . 8 2 2 B 16 16 GLU C C 114 176.766 176.937 -0.171 1 1 993 . 8 2 2 B 16 16 GLU CA C 114 57.410 56.546 0.864 1 1 994 . 8 2 2 B 16 16 GLU CB C 114 30.620 29.767 0.853 1 1 996 . 8 2 2 B 16 16 GLU N N 114 123.052 121.857 1.195 1 1 997 . 8 2 2 B 17 17 GLU H H 115 8.331 8.757 -0.426 1 1 998 . 8 2 2 B 17 17 GLU HA H 115 4.292 4.749 -0.457 1 1 1003 . 8 2 2 B 17 17 GLU C C 115 176.880 175.753 1.127 1 1 1004 . 8 2 2 B 17 17 GLU CA C 115 57.410 55.660 1.750 1 1 1005 . 8 2 2 B 17 17 GLU CB C 115 30.525 30.611 -0.086 1 1 1007 . 8 2 2 B 17 17 GLU N N 115 121.688 119.713 1.975 1 1 1008 . 8 2 2 B 18 18 MET H H 116 8.317 7.700 0.617 1 1 1009 . 8 2 2 B 18 18 MET HA H 116 4.490 5.392 -0.902 1 1 1014 . 8 2 2 B 18 18 MET C C 116 177.086 175.369 1.717 1 1 1015 . 8 2 2 B 18 18 MET CA C 116 56.279 54.611 1.668 1 1 1016 . 8 2 2 B 18 18 MET CB C 116 33.026 36.430 -3.404 1 1 1017 . 8 2 2 B 18 18 MET N N 116 121.270 119.933 1.337 1 1 1018 . 8 2 2 B 19 19 GLY H H 117 8.320 8.415 -0.095 1 1 1019 . 8 2 2 B 19 19 GLY HA2 H 117 4.054 4.175 -0.121 1 1 1020 . 8 2 2 B 19 19 GLY HA3 H 117 4.054 4.182 -0.128 1 1 1021 . 8 2 2 B 19 19 GLY C C 117 174.481 174.603 -0.122 1 1 1022 . 8 2 2 B 19 19 GLY CA C 117 45.847 45.696 0.151 1 1 1023 . 8 2 2 B 19 19 GLY N N 117 110.055 110.629 -0.574 1 1 1024 . 8 2 2 B 20 20 SER H H 118 8.230 8.762 -0.532 1 1 1025 . 8 2 2 B 20 20 SER HA H 118 4.476 4.226 0.250 1 1 1028 . 8 2 2 B 20 20 SER C C 118 175.327 175.103 0.224 1 1 1029 . 8 2 2 B 20 20 SER CA C 118 58.919 59.792 -0.873 1 1 1030 . 8 2 2 B 20 20 SER CB C 118 64.575 63.963 0.612 1 1 1031 . 8 2 2 B 20 20 SER N N 118 115.664 118.620 -2.956 1 1 1032 . 8 2 2 B 21 21 GLY H H 119 8.371 8.008 0.363 1 1 1033 . 8 2 2 B 21 21 GLY HA2 H 119 3.951 3.965 -0.014 1 1 1034 . 8 2 2 B 21 21 GLY HA3 H 119 3.951 3.966 -0.015 1 1 1035 . 8 2 2 B 21 21 GLY C C 119 174.002 174.296 -0.294 1 1 1036 . 8 2 2 B 21 21 GLY CA C 119 45.721 46.260 -0.539 1 1 1037 . 8 2 2 B 21 21 GLY N N 119 110.872 109.538 1.334 1 1 1068 . 8 2 2 B 25 25 SER H H 123 8.155 8.855 -0.700 1 1 1069 . 8 2 2 B 25 25 SER HA H 123 4.404 5.058 -0.654 1 1 1072 . 8 2 2 B 25 25 SER C C 123 175.075 173.330 1.745 1 1 1073 . 8 2 2 B 25 25 SER CA C 123 59.347 56.538 2.809 1 1 1074 . 8 2 2 B 25 25 SER CB C 123 63.879 65.664 -1.785 1 1 1075 . 8 2 2 B 25 25 SER N N 123 116.126 120.883 -4.757 1 1 1076 . 8 2 2 B 26 26 MET H H 124 8.221 8.489 -0.268 1 1 1077 . 8 2 2 B 26 26 MET HA H 124 4.482 4.403 0.079 1 1 1082 . 8 2 2 B 26 26 MET C C 124 176.355 174.865 1.490 1 1 1083 . 8 2 2 B 26 26 MET CA C 124 56.279 56.188 0.091 1 1 1084 . 8 2 2 B 26 26 MET CB C 124 32.900 31.631 1.269 1 1 1086 . 8 2 2 B 26 26 MET N N 124 121.210 124.575 -3.365 1 1 1087 . 8 2 2 B 27 27 LYS H H 125 8.036 8.936 -0.900 1 1 1088 . 8 2 2 B 27 27 LYS HA H 125 4.333 4.876 -0.543 1 1 1097 . 8 2 2 B 27 27 LYS C C 125 176.355 175.479 0.876 1 1 1098 . 8 2 2 B 27 27 LYS CA C 125 56.656 54.722 1.934 1 1 1099 . 8 2 2 B 27 27 LYS CB C 125 33.529 34.737 -1.208 1 1 1103 . 8 2 2 B 27 27 LYS N N 125 121.457 124.041 -2.584 1 1 1104 . 8 2 2 B 28 28 GLU H H 126 8.205 8.645 -0.440 1 1 1105 . 8 2 2 B 28 28 GLU N N 126 122.740 124.885 -2.145 1 1 1106 . 8 2 2 B 29 29 PRO HA H 127 4.377 4.477 -0.100 1 1 1113 . 8 2 2 B 29 29 PRO C C 127 176.812 177.691 -0.879 1 1 1114 . 8 2 2 B 29 29 PRO CA C 127 63.821 63.290 0.531 1 1 1115 . 8 2 2 B 29 29 PRO CB C 127 32.272 32.126 0.146 1 1 1118 . 8 2 2 B 30 30 ALA H H 128 8.273 8.739 -0.466 1 1 1119 . 8 2 2 B 30 30 ALA HA H 128 4.287 4.084 0.203 1 1 1123 . 8 2 2 B 30 30 ALA C C 128 177.589 178.367 -0.778 1 1 1124 . 8 2 2 B 30 30 ALA CA C 128 52.873 55.171 -2.298 1 1 1125 . 8 2 2 B 30 30 ALA CB C 128 19.703 19.366 0.337 1 1 1126 . 8 2 2 B 30 30 ALA N N 128 123.577 127.827 -4.250 1 1 1127 . 8 2 2 B 31 31 PHE H H 129 8.019 8.244 -0.225 1 1 1128 . 8 2 2 B 31 31 PHE HA H 129 4.621 4.474 0.147 1 1 1135 . 8 2 2 B 31 31 PHE C C 129 175.624 174.894 0.730 1 1 1136 . 8 2 2 B 31 31 PHE CA C 129 58.039 59.500 -1.461 1 1 1137 . 8 2 2 B 31 31 PHE CB C 129 40.055 38.696 1.359 1 1 1140 . 8 2 2 B 31 31 PHE N N 129 118.994 117.511 1.483 1 1 1141 . 8 2 2 B 32 32 ARG H H 130 8.042 8.423 -0.381 1 1 1142 . 8 2 2 B 32 32 ARG HA H 130 4.332 4.244 0.088 1 1 1149 . 8 2 2 B 32 32 ARG C C 130 175.875 175.750 0.125 1 1 1150 . 8 2 2 B 32 32 ARG CA C 130 56.154 55.763 0.391 1 1 1151 . 8 2 2 B 32 32 ARG CB C 130 31.643 31.116 0.527 1 1 1154 . 8 2 2 B 32 32 ARG N N 130 122.929 122.686 0.243 1 1 1155 . 8 2 2 B 33 33 GLU H H 131 8.389 8.597 -0.208 1 1 1156 . 8 2 2 B 33 33 GLU HA H 131 4.276 4.418 -0.142 1 1 1161 . 8 2 2 B 33 33 GLU C C 131 176.766 175.433 1.333 1 1 1162 . 8 2 2 B 33 33 GLU CA C 131 57.285 56.936 0.349 1 1 1163 . 8 2 2 B 33 33 GLU CB C 131 30.512 30.454 0.058 1 1 1165 . 8 2 2 B 33 33 GLU N N 131 122.719 126.750 -4.031 1 1 1166 . 8 2 2 B 34 34 GLU H H 132 8.502 8.515 -0.013 1 1 1167 . 8 2 2 B 34 34 GLU HA H 132 4.275 4.687 -0.412 1 1 1172 . 8 2 2 B 34 34 GLU C C 132 176.560 174.581 1.979 1 1 1173 . 8 2 2 B 34 34 GLU CA C 132 57.400 55.889 1.511 1 1 1174 . 8 2 2 B 34 34 GLU CB C 132 30.526 30.610 -0.084 1 1 1176 . 8 2 2 B 34 34 GLU N N 132 122.122 126.639 -4.517 1 1 1177 . 8 2 2 B 35 35 ASN H H 133 8.362 9.004 -0.642 1 1 1178 . 8 2 2 B 35 35 ASN HA H 133 4.693 4.882 -0.189 1 1 1181 . 8 2 2 B 35 35 ASN C C 133 175.258 174.135 1.123 1 1 1182 . 8 2 2 B 35 35 ASN CA C 133 53.765 52.247 1.518 1 1 1183 . 8 2 2 B 35 35 ASN CB C 133 39.562 37.630 1.932 1 1 1184 . 8 2 2 B 35 35 ASN N N 133 119.552 125.607 -6.055 1 1 1185 . 8 2 2 B 36 36 ALA H H 134 8.155 7.625 0.530 1 1 1186 . 8 2 2 B 36 36 ALA HA H 134 4.289 4.663 -0.374 1 1 1190 . 8 2 2 B 36 36 ALA C C 134 177.520 175.491 2.029 1 1 1191 . 8 2 2 B 36 36 ALA CA C 134 52.873 51.780 1.093 1 1 1192 . 8 2 2 B 36 36 ALA CB C 134 19.703 19.506 0.197 1 1 1193 . 8 2 2 B 36 36 ALA N N 134 124.376 127.106 -2.730 1 1 1194 . 8 2 2 B 37 37 ASN H H 135 8.210 8.849 -0.639 1 1 1195 . 8 2 2 B 37 37 ASN HA H 135 4.694 4.996 -0.302 1 1 1198 . 8 2 2 B 37 37 ASN C C 135 175.144 173.405 1.739 1 1 1199 . 8 2 2 B 37 37 ASN CA C 135 53.640 51.387 2.253 1 1 1200 . 8 2 2 B 37 37 ASN CB C 135 39.311 40.509 -1.198 1 1 1201 . 8 2 2 B 37 37 ASN N N 135 117.103 123.485 -6.382 1 1 1202 . 8 2 2 B 38 38 PHE H H 136 7.997 8.950 -0.953 1 1 1203 . 8 2 2 B 38 38 PHE HA H 136 4.659 5.083 -0.424 1 1 1210 . 8 2 2 B 38 38 PHE C C 136 175.601 176.002 -0.401 1 1 1211 . 8 2 2 B 38 38 PHE CA C 136 58.165 56.317 1.848 1 1 1212 . 8 2 2 B 38 38 PHE CB C 136 39.939 39.774 0.165 1 1 1215 . 8 2 2 B 38 38 PHE N N 136 120.229 125.116 -4.887 1 1 1216 . 8 2 2 B 39 39 ASN H H 137 8.272 8.864 -0.592 1 1 1217 . 8 2 2 B 39 39 ASN HA H 137 4.733 4.652 0.081 1 1 1220 . 8 2 2 B 39 39 ASN C C 137 174.047 175.353 -1.306 1 1 1221 . 8 2 2 B 39 39 ASN CA C 137 53.891 55.468 -1.577 1 1 1222 . 8 2 2 B 39 39 ASN CB C 137 39.688 39.478 0.210 1 1 1223 . 8 2 2 B 39 39 ASN N N 137 120.594 123.323 -2.729 1 1 3 . 9 1 1 A 4 4 PRO HA H 2 4.509 4.792 -0.283 1 1 10 . 9 1 1 A 4 4 PRO C C 2 177.132 176.568 0.564 1 1 11 . 9 1 1 A 4 4 PRO CA C 2 63.529 62.448 1.081 1 1 12 . 9 1 1 A 4 4 PRO CB C 2 32.476 31.723 0.753 1 1 15 . 9 1 1 A 5 5 VAL H H 3 8.201 8.205 -0.004 1 1 16 . 9 1 1 A 5 5 VAL HA H 3 4.152 4.149 0.003 1 1 24 . 9 1 1 A 5 5 VAL C C 3 176.423 175.444 0.979 1 1 25 . 9 1 1 A 5 5 VAL CA C 3 62.873 62.376 0.497 1 1 26 . 9 1 1 A 5 5 VAL CB C 3 33.455 32.931 0.524 1 1 28 . 9 1 1 A 5 5 VAL N N 3 120.488 123.043 -2.555 1 1 29 . 9 1 1 A 6 6 SER H H 4 8.276 8.547 -0.271 1 1 30 . 9 1 1 A 6 6 SER HA H 4 4.494 4.699 -0.205 1 1 33 . 9 1 1 A 6 6 SER C C 4 174.687 173.579 1.108 1 1 34 . 9 1 1 A 6 6 SER CA C 4 58.375 56.884 1.491 1 1 35 . 9 1 1 A 6 6 SER CB C 4 64.295 63.312 0.983 1 1 36 . 9 1 1 A 6 6 SER N N 4 119.000 124.024 -5.024 1 1 37 . 9 1 1 A 7 7 LEU H H 5 8.238 8.410 -0.172 1 1 38 . 9 1 1 A 7 7 LEU HA H 5 4.406 4.407 -0.001 1 1 44 . 9 1 1 A 7 7 LEU C C 5 177.406 176.639 0.767 1 1 45 . 9 1 1 A 7 7 LEU CA C 5 55.766 54.111 1.655 1 1 46 . 9 1 1 A 7 7 LEU CB C 5 43.132 41.108 2.024 1 1 48 . 9 1 1 A 7 7 LEU N N 5 124.704 124.926 -0.222 1 1 49 . 9 1 1 A 8 8 SER H H 6 8.148 8.168 -0.020 1 1 50 . 9 1 1 A 8 8 SER HA H 6 4.438 4.784 -0.346 1 1 53 . 9 1 1 A 8 8 SER C C 6 174.321 172.109 2.212 1 1 54 . 9 1 1 A 8 8 SER CA C 6 58.718 57.457 1.261 1 1 55 . 9 1 1 A 8 8 SER CB C 6 64.295 66.608 -2.313 1 1 56 . 9 1 1 A 8 8 SER N N 6 115.960 118.857 -2.897 1 1 57 . 9 1 1 A 9 9 TYR H H 7 7.954 8.715 -0.761 1 1 58 . 9 1 1 A 9 9 TYR HA H 7 4.585 4.674 -0.089 1 1 65 . 9 1 1 A 9 9 TYR C C 7 175.532 175.354 0.178 1 1 66 . 9 1 1 A 9 9 TYR CA C 7 58.335 56.891 1.444 1 1 67 . 9 1 1 A 9 9 TYR CB C 7 39.474 36.727 2.747 1 1 70 . 9 1 1 A 9 9 TYR N N 7 121.884 120.203 1.681 1 1 71 . 9 1 1 A 10 10 ARG H H 8 8.117 8.211 -0.094 1 1 72 . 9 1 1 A 10 10 ARG HA H 8 4.349 4.892 -0.543 1 1 79 . 9 1 1 A 10 10 ARG C C 8 175.898 174.883 1.015 1 1 80 . 9 1 1 A 10 10 ARG CA C 8 56.048 54.432 1.616 1 1 81 . 9 1 1 A 10 10 ARG CB C 8 31.492 32.048 -0.556 1 1 84 . 9 1 1 A 10 10 ARG N N 8 121.977 121.581 0.396 1 1 85 . 9 1 1 A 11 11 CYS H H 9 8.127 8.700 -0.573 1 1 86 . 9 1 1 A 11 11 CYS HA H 9 4.984 5.205 -0.221 1 1 89 . 9 1 1 A 11 11 CYS C C 9 177.771 173.979 3.792 1 1 90 . 9 1 1 A 11 11 CYS CA C 9 53.192 53.902 -0.710 1 1 91 . 9 1 1 A 11 11 CYS CB C 9 40.897 44.733 -3.836 1 1 92 . 9 1 1 A 11 11 CYS N N 9 121.209 122.413 -1.204 1 1 93 . 9 1 1 A 12 12 PRO HA H 10 4.321 4.327 -0.006 1 1 100 . 9 1 1 A 12 12 PRO CA C 10 65.478 64.573 0.905 1 1 101 . 9 1 1 A 12 12 PRO CB C 10 32.904 31.787 1.117 1 1 104 . 9 1 1 A 13 13 CYS H H 11 8.633 7.814 0.819 1 1 105 . 9 1 1 A 13 13 CYS C C 11 174.618 173.697 0.921 1 1 106 . 9 1 1 A 13 13 CYS N N 11 114.595 115.608 -1.013 1 1 107 . 9 1 1 A 14 14 ARG H H 12 8.236 8.541 -0.305 1 1 108 . 9 1 1 A 14 14 ARG HA H 12 4.067 4.317 -0.250 1 1 115 . 9 1 1 A 14 14 ARG C C 12 175.098 175.875 -0.777 1 1 116 . 9 1 1 A 14 14 ARG CA C 12 57.370 57.445 -0.075 1 1 117 . 9 1 1 A 14 14 ARG CB C 12 31.631 30.689 0.942 1 1 120 . 9 1 1 A 14 14 ARG N N 12 122.779 125.037 -2.258 1 1 121 . 9 1 1 A 15 15 PHE H H 13 7.615 7.767 -0.152 1 1 122 . 9 1 1 A 15 15 PHE HA H 13 4.510 5.032 -0.522 1 1 129 . 9 1 1 A 15 15 PHE C C 13 174.162 175.047 -0.885 1 1 130 . 9 1 1 A 15 15 PHE CA C 13 56.289 56.279 0.010 1 1 131 . 9 1 1 A 15 15 PHE CB C 13 41.320 42.608 -1.288 1 1 134 . 9 1 1 A 15 15 PHE N N 13 116.797 116.355 0.442 1 1 135 . 9 1 1 A 16 16 PHE H H 14 8.125 8.492 -0.367 1 1 136 . 9 1 1 A 16 16 PHE HA H 14 4.767 5.763 -0.996 1 1 143 . 9 1 1 A 16 16 PHE C C 14 175.441 173.132 2.309 1 1 144 . 9 1 1 A 16 16 PHE CA C 14 55.767 55.230 0.537 1 1 145 . 9 1 1 A 16 16 PHE CB C 14 41.320 42.766 -1.446 1 1 148 . 9 1 1 A 16 16 PHE N N 14 118.930 119.498 -0.568 1 1 149 . 9 1 1 A 17 17 GLU H H 15 8.836 9.375 -0.539 1 1 150 . 9 1 1 A 17 17 GLU HA H 15 4.579 4.698 -0.119 1 1 155 . 9 1 1 A 17 17 GLU C C 15 176.857 176.546 0.311 1 1 156 . 9 1 1 A 17 17 GLU CA C 15 56.289 56.185 0.104 1 1 157 . 9 1 1 A 17 17 GLU CB C 15 31.173 30.277 0.896 1 1 159 . 9 1 1 A 17 17 GLU N N 15 122.929 121.152 1.777 1 1 160 . 9 1 1 A 18 18 SER H H 16 8.751 8.707 0.044 1 1 161 . 9 1 1 A 18 18 SER HA H 16 4.762 4.622 0.140 1 1 164 . 9 1 1 A 18 18 SER C C 16 177.497 173.887 3.610 1 1 165 . 9 1 1 A 18 18 SER CA C 16 59.328 58.850 0.478 1 1 166 . 9 1 1 A 18 18 SER CB C 16 64.515 64.037 0.478 1 1 167 . 9 1 1 A 18 18 SER N N 16 118.860 120.126 -1.266 1 1 168 . 9 1 1 A 19 19 HIS H H 17 8.761 7.679 1.082 1 1 169 . 9 1 1 A 19 19 HIS HA H 17 4.859 5.310 -0.451 1 1 174 . 9 1 1 A 19 19 HIS C C 17 174.618 173.772 0.846 1 1 175 . 9 1 1 A 19 19 HIS CA C 17 56.449 54.651 1.798 1 1 176 . 9 1 1 A 19 19 HIS CB C 17 29.870 31.226 -1.356 1 1 179 . 9 1 1 A 19 19 HIS N N 17 120.535 118.649 1.886 1 1 180 . 9 1 1 A 20 20 VAL H H 18 7.157 9.087 -1.930 1 1 181 . 9 1 1 A 20 20 VAL HA H 18 4.181 4.674 -0.493 1 1 189 . 9 1 1 A 20 20 VAL C C 18 174.436 173.468 0.968 1 1 190 . 9 1 1 A 20 20 VAL CA C 18 62.167 60.626 1.541 1 1 191 . 9 1 1 A 20 20 VAL CB C 18 34.426 35.825 -1.399 1 1 193 . 9 1 1 A 20 20 VAL N N 18 120.872 122.828 -1.956 1 1 194 . 9 1 1 A 21 21 ALA H H 19 8.521 8.766 -0.245 1 1 195 . 9 1 1 A 21 21 ALA HA H 19 4.372 4.300 0.072 1 1 199 . 9 1 1 A 21 21 ALA C C 19 177.657 178.318 -0.661 1 1 200 . 9 1 1 A 21 21 ALA CA C 19 51.193 52.604 -1.411 1 1 201 . 9 1 1 A 21 21 ALA CB C 19 19.790 19.034 0.756 1 1 202 . 9 1 1 A 21 21 ALA N N 19 131.339 129.286 2.053 1 1 203 . 9 1 1 A 22 22 ARG H H 20 7.790 8.146 -0.356 1 1 204 . 9 1 1 A 22 22 ARG HA H 20 2.445 3.380 -0.935 1 1 211 . 9 1 1 A 22 22 ARG C C 20 178.365 177.632 0.733 1 1 212 . 9 1 1 A 22 22 ARG CA C 20 59.379 57.943 1.436 1 1 213 . 9 1 1 A 22 22 ARG CB C 20 29.572 28.829 0.743 1 1 216 . 9 1 1 A 22 22 ARG N N 20 124.365 123.515 0.850 1 1 217 . 9 1 1 A 23 23 ALA H H 21 8.120 7.805 0.315 1 1 218 . 9 1 1 A 23 23 ALA HA H 21 4.060 4.102 -0.042 1 1 222 . 9 1 1 A 23 23 ALA C C 21 178.000 178.439 -0.439 1 1 223 . 9 1 1 A 23 23 ALA CA C 21 54.100 53.716 0.384 1 1 224 . 9 1 1 A 23 23 ALA CB C 21 18.713 18.368 0.345 1 1 225 . 9 1 1 A 23 23 ALA N N 21 117.156 122.180 -5.024 1 1 226 . 9 1 1 A 24 24 ASN H H 22 7.717 7.614 0.103 1 1 227 . 9 1 1 A 24 24 ASN HA H 22 5.010 4.614 0.396 1 1 232 . 9 1 1 A 24 24 ASN C C 22 174.938 174.902 0.036 1 1 233 . 9 1 1 A 24 24 ASN CA C 22 52.869 54.520 -1.651 1 1 234 . 9 1 1 A 24 24 ASN CB C 22 40.573 39.226 1.347 1 1 235 . 9 1 1 A 24 24 ASN N N 22 112.819 115.495 -2.676 1 1 237 . 9 1 1 A 25 25 VAL H H 23 7.489 7.280 0.209 1 1 238 . 9 1 1 A 25 25 VAL HA H 23 4.888 4.402 0.486 1 1 246 . 9 1 1 A 25 25 VAL C C 23 175.829 175.526 0.303 1 1 247 . 9 1 1 A 25 25 VAL CA C 23 59.870 59.563 0.307 1 1 248 . 9 1 1 A 25 25 VAL CB C 23 35.396 33.961 1.435 1 1 251 . 9 1 1 A 25 25 VAL N N 23 119.721 115.674 4.047 1 1 252 . 9 1 1 A 26 26 LYS H H 24 9.479 9.256 0.223 1 1 253 . 9 1 1 A 26 26 LYS HA H 24 4.353 4.373 -0.020 1 1 262 . 9 1 1 A 26 26 LYS C C 24 176.606 176.321 0.285 1 1 263 . 9 1 1 A 26 26 LYS CA C 24 58.977 56.881 2.096 1 1 264 . 9 1 1 A 26 26 LYS CB C 24 34.567 33.332 1.235 1 1 268 . 9 1 1 A 26 26 LYS N N 24 127.843 121.816 6.027 1 1 269 . 9 1 1 A 27 27 HIS H H 25 7.237 7.513 -0.276 1 1 270 . 9 1 1 A 27 27 HIS HA H 25 4.979 4.920 0.059 1 1 275 . 9 1 1 A 27 27 HIS C C 25 178.434 172.450 5.984 1 1 276 . 9 1 1 A 27 27 HIS CA C 25 55.406 54.685 0.721 1 1 277 . 9 1 1 A 27 27 HIS CB C 25 32.480 31.278 1.202 1 1 280 . 9 1 1 A 27 27 HIS N N 25 109.556 114.654 -5.098 1 1 281 . 9 1 1 A 28 28 LEU H H 26 8.189 8.796 -0.607 1 1 282 . 9 1 1 A 28 28 LEU HA H 26 5.190 5.257 -0.067 1 1 292 . 9 1 1 A 28 28 LEU C C 26 175.510 175.411 0.099 1 1 293 . 9 1 1 A 28 28 LEU CA C 26 53.480 53.478 0.002 1 1 294 . 9 1 1 A 28 28 LEU CB C 26 45.235 45.174 0.061 1 1 298 . 9 1 1 A 28 28 LEU N N 26 117.260 119.865 -2.605 1 1 299 . 9 1 1 A 29 29 LYS H H 27 9.572 8.928 0.644 1 1 300 . 9 1 1 A 29 29 LYS HA H 27 5.372 5.197 0.175 1 1 309 . 9 1 1 A 29 29 LYS C C 27 174.801 174.310 0.491 1 1 310 . 9 1 1 A 29 29 LYS CA C 27 55.165 54.872 0.293 1 1 311 . 9 1 1 A 29 29 LYS CB C 27 35.253 35.649 -0.396 1 1 315 . 9 1 1 A 29 29 LYS N N 27 123.488 123.328 0.160 1 1 316 . 9 1 1 A 30 30 ILE H H 28 9.136 9.078 0.058 1 1 317 . 9 1 1 A 30 30 ILE HA H 28 4.926 4.931 -0.005 1 1 327 . 9 1 1 A 30 30 ILE C C 28 176.949 175.204 1.745 1 1 328 . 9 1 1 A 30 30 ILE CA C 28 60.542 59.572 0.970 1 1 329 . 9 1 1 A 30 30 ILE CB C 28 39.600 40.068 -0.468 1 1 333 . 9 1 1 A 30 30 ILE N N 28 123.846 127.634 -3.788 1 1 334 . 9 1 1 A 31 31 LEU H H 29 8.830 8.918 -0.088 1 1 335 . 9 1 1 A 31 31 LEU HA H 29 4.535 5.123 -0.588 1 1 344 . 9 1 1 A 31 31 LEU C C 29 176.012 175.515 0.497 1 1 345 . 9 1 1 A 31 31 LEU CA C 29 55.366 53.389 1.977 1 1 346 . 9 1 1 A 31 31 LEU CB C 29 43.180 46.302 -3.122 1 1 349 . 9 1 1 A 31 31 LEU N N 29 128.649 126.713 1.936 1 1 350 . 9 1 1 A 32 32 ASN H H 30 8.216 9.211 -0.995 1 1 351 . 9 1 1 A 32 32 ASN HA H 30 5.013 5.470 -0.457 1 1 356 . 9 1 1 A 32 32 ASN C C 30 174.664 175.172 -0.508 1 1 357 . 9 1 1 A 32 32 ASN CA C 30 52.517 51.881 0.636 1 1 358 . 9 1 1 A 32 32 ASN CB C 30 38.776 40.917 -2.141 1 1 359 . 9 1 1 A 32 32 ASN N N 30 120.791 121.297 -0.506 1 1 361 . 9 1 1 A 33 33 THR H H 31 7.883 9.012 -1.129 1 1 362 . 9 1 1 A 33 33 THR HA H 31 4.842 4.919 -0.077 1 1 367 . 9 1 1 A 33 33 THR CA C 31 58.369 59.633 -1.264 1 1 368 . 9 1 1 A 33 33 THR CB C 31 70.018 69.129 0.889 1 1 370 . 9 1 1 A 33 33 THR N N 31 115.811 118.111 -2.300 1 1 371 . 9 1 1 A 34 34 PRO HA H 32 4.317 4.277 0.040 1 1 378 . 9 1 1 A 34 34 PRO CA C 32 65.164 65.703 -0.539 1 1 379 . 9 1 1 A 34 34 PRO CB C 32 32.484 31.556 0.928 1 1 382 . 9 1 1 A 35 35 ASN H H 33 8.254 8.321 -0.067 1 1 383 . 9 1 1 A 35 35 ASN HA H 33 4.651 4.679 -0.028 1 1 388 . 9 1 1 A 35 35 ASN C C 33 174.710 173.869 0.841 1 1 389 . 9 1 1 A 35 35 ASN CA C 33 54.532 52.806 1.726 1 1 390 . 9 1 1 A 35 35 ASN CB C 33 39.167 38.613 0.554 1 1 391 . 9 1 1 A 35 35 ASN N N 33 120.081 113.089 6.992 1 1 393 . 9 1 1 A 36 36 CYS H H 34 7.548 7.667 -0.119 1 1 394 . 9 1 1 A 36 36 CYS HA H 34 4.694 4.988 -0.294 1 1 397 . 9 1 1 A 36 36 CYS C C 34 173.865 173.226 0.639 1 1 398 . 9 1 1 A 36 36 CYS CA C 34 55.447 54.645 0.802 1 1 399 . 9 1 1 A 36 36 CYS CB C 34 45.228 47.423 -2.195 1 1 400 . 9 1 1 A 36 36 CYS N N 34 117.076 118.325 -1.249 1 1 401 . 9 1 1 A 37 37 ALA H H 35 8.472 8.499 -0.027 1 1 402 . 9 1 1 A 37 37 ALA HA H 35 4.236 4.388 -0.152 1 1 406 . 9 1 1 A 37 37 ALA C C 35 176.423 176.710 -0.287 1 1 407 . 9 1 1 A 37 37 ALA CA C 35 53.537 51.712 1.825 1 1 408 . 9 1 1 A 37 37 ALA CB C 35 19.202 20.096 -0.894 1 1 409 . 9 1 1 A 37 37 ALA N N 35 125.153 124.904 0.249 1 1 410 . 9 1 1 A 38 38 CYS H H 36 8.316 8.471 -0.155 1 1 411 . 9 1 1 A 38 38 CYS HA H 36 4.196 5.067 -0.871 1 1 414 . 9 1 1 A 38 38 CYS C C 36 173.705 173.782 -0.077 1 1 415 . 9 1 1 A 38 38 CYS CA C 36 58.616 57.440 1.176 1 1 416 . 9 1 1 A 38 38 CYS CB C 36 45.705 29.367 16.338 1 1 417 . 9 1 1 A 38 38 CYS N N 36 118.837 117.623 1.214 1 1 418 . 9 1 1 A 39 39 GLN H H 37 8.921 8.230 0.691 1 1 419 . 9 1 1 A 39 39 GLN HA H 37 4.609 4.814 -0.205 1 1 426 . 9 1 1 A 39 39 GLN C C 37 173.636 174.512 -0.876 1 1 427 . 9 1 1 A 39 39 GLN CA C 37 54.603 54.197 0.406 1 1 428 . 9 1 1 A 39 39 GLN CB C 37 31.761 32.145 -0.384 1 1 430 . 9 1 1 A 39 39 GLN N N 37 128.567 125.140 3.427 1 1 432 . 9 1 1 A 40 40 ILE H H 38 8.893 8.318 0.575 1 1 433 . 9 1 1 A 40 40 ILE HA H 38 5.068 4.902 0.166 1 1 443 . 9 1 1 A 40 40 ILE C C 38 174.390 175.066 -0.676 1 1 444 . 9 1 1 A 40 40 ILE CA C 38 60.582 60.109 0.473 1 1 445 . 9 1 1 A 40 40 ILE CB C 38 40.048 38.572 1.476 1 1 449 . 9 1 1 A 40 40 ILE N N 38 123.962 125.143 -1.181 1 1 450 . 9 1 1 A 41 41 VAL H H 39 9.120 9.672 -0.552 1 1 451 . 9 1 1 A 41 41 VAL HA H 39 4.845 4.871 -0.026 1 1 459 . 9 1 1 A 41 41 VAL C C 39 175.487 175.120 0.367 1 1 460 . 9 1 1 A 41 41 VAL CA C 39 59.980 61.090 -1.110 1 1 461 . 9 1 1 A 41 41 VAL CB C 39 35.868 34.044 1.824 1 1 464 . 9 1 1 A 41 41 VAL N N 39 126.354 128.466 -2.112 1 1 465 . 9 1 1 A 42 42 ALA H H 40 9.513 9.111 0.402 1 1 466 . 9 1 1 A 42 42 ALA HA H 40 5.154 5.195 -0.041 1 1 470 . 9 1 1 A 42 42 ALA C C 40 175.944 175.887 0.057 1 1 471 . 9 1 1 A 42 42 ALA CA C 40 50.591 49.932 0.659 1 1 472 . 9 1 1 A 42 42 ALA CB C 40 22.432 22.744 -0.312 1 1 473 . 9 1 1 A 42 42 ALA N N 40 128.406 129.404 -0.998 1 1 474 . 9 1 1 A 43 43 ARG H H 41 7.717 8.298 -0.581 1 1 475 . 9 1 1 A 43 43 ARG HA H 41 4.979 4.635 0.344 1 1 482 . 9 1 1 A 43 43 ARG C C 41 175.510 175.353 0.157 1 1 483 . 9 1 1 A 43 43 ARG CA C 41 54.162 55.395 -1.233 1 1 484 . 9 1 1 A 43 43 ARG CB C 41 31.200 31.497 -0.297 1 1 487 . 9 1 1 A 43 43 ARG N N 41 121.663 121.434 0.229 1 1 488 . 9 1 1 A 44 44 LEU H H 42 9.163 8.452 0.711 1 1 489 . 9 1 1 A 44 44 LEU HA H 42 5.033 4.390 0.643 1 1 499 . 9 1 1 A 44 44 LEU C C 42 177.840 176.794 1.046 1 1 500 . 9 1 1 A 44 44 LEU CA C 42 54.724 55.187 -0.463 1 1 501 . 9 1 1 A 44 44 LEU CB C 42 41.712 43.164 -1.452 1 1 505 . 9 1 1 A 44 44 LEU N N 42 129.087 126.746 2.341 1 1 506 . 9 1 1 A 45 45 LYS H H 43 8.417 8.590 -0.173 1 1 507 . 9 1 1 A 45 45 LYS HA H 43 3.950 4.357 -0.407 1 1 516 . 9 1 1 A 45 45 LYS CA C 43 59.016 55.956 3.060 1 1 517 . 9 1 1 A 45 45 LYS CB C 43 34.102 30.717 3.385 1 1 520 . 9 1 1 A 45 45 LYS N N 43 119.674 124.641 -4.967 1 1 521 . 9 1 1 A 48 48 ASN HA H 46 4.723 4.660 0.063 1 1 526 . 9 1 1 A 48 48 ASN C C 46 175.098 176.272 -1.174 1 1 527 . 9 1 1 A 48 48 ASN CA C 46 54.764 55.066 -0.302 1 1 528 . 9 1 1 A 48 48 ASN CB C 46 39.265 38.304 0.961 1 1 530 . 9 1 1 A 49 49 ARG H H 47 7.919 7.713 0.206 1 1 531 . 9 1 1 A 49 49 ARG HA H 47 4.353 4.448 -0.095 1 1 538 . 9 1 1 A 49 49 ARG C C 47 175.601 175.334 0.267 1 1 539 . 9 1 1 A 49 49 ARG CA C 47 57.051 56.684 0.367 1 1 540 . 9 1 1 A 49 49 ARG CB C 47 32.121 31.402 0.719 1 1 543 . 9 1 1 A 49 49 ARG N N 47 119.826 114.076 5.750 1 1 544 . 9 1 1 A 50 50 GLN H H 48 8.547 8.151 0.396 1 1 545 . 9 1 1 A 50 50 GLN HA H 48 5.456 5.004 0.452 1 1 552 . 9 1 1 A 50 50 GLN C C 48 175.578 174.003 1.575 1 1 553 . 9 1 1 A 50 50 GLN CA C 48 55.125 54.079 1.046 1 1 554 . 9 1 1 A 50 50 GLN CB C 48 32.121 32.702 -0.581 1 1 556 . 9 1 1 A 50 50 GLN N N 48 120.767 117.101 3.666 1 1 558 . 9 1 1 A 51 51 VAL H H 49 8.630 9.094 -0.464 1 1 559 . 9 1 1 A 51 51 VAL HA H 49 4.826 4.778 0.048 1 1 567 . 9 1 1 A 51 51 VAL C C 49 175.258 174.206 1.052 1 1 568 . 9 1 1 A 51 51 VAL CA C 49 59.338 59.184 0.154 1 1 569 . 9 1 1 A 51 51 VAL CB C 49 36.155 35.213 0.942 1 1 572 . 9 1 1 A 51 51 VAL N N 49 116.678 114.258 2.420 1 1 573 . 9 1 1 A 52 52 CYS H H 50 9.100 8.670 0.430 1 1 574 . 9 1 1 A 52 52 CYS HA H 50 5.301 5.219 0.082 1 1 577 . 9 1 1 A 52 52 CYS C C 50 174.527 173.319 1.208 1 1 578 . 9 1 1 A 52 52 CYS CA C 50 58.054 55.200 2.854 1 1 579 . 9 1 1 A 52 52 CYS CB C 50 43.375 42.980 0.395 1 1 580 . 9 1 1 A 52 52 CYS N N 50 124.549 120.772 3.777 1 1 581 . 9 1 1 A 53 53 ILE H H 51 8.485 9.618 -1.133 1 1 582 . 9 1 1 A 53 53 ILE HA H 51 4.964 4.685 0.279 1 1 592 . 9 1 1 A 53 53 ILE C C 51 173.019 174.909 -1.890 1 1 593 . 9 1 1 A 53 53 ILE CA C 51 58.897 60.106 -1.209 1 1 594 . 9 1 1 A 53 53 ILE CB C 51 42.201 40.324 1.877 1 1 598 . 9 1 1 A 53 53 ILE N N 51 122.581 126.766 -4.185 1 1 599 . 9 1 1 A 54 54 ASP H H 52 7.661 8.564 -0.903 1 1 600 . 9 1 1 A 54 54 ASP HA H 52 3.642 4.657 -1.015 1 1 603 . 9 1 1 A 54 54 ASP CA C 52 51.574 51.867 -0.293 1 1 604 . 9 1 1 A 54 54 ASP CB C 52 42.515 42.092 0.423 1 1 605 . 9 1 1 A 54 54 ASP N N 52 125.772 127.344 -1.572 1 1 606 . 9 1 1 A 55 55 PRO HA H 53 4.025 4.259 -0.234 1 1 613 . 9 1 1 A 55 55 PRO C C 53 176.126 177.312 -1.186 1 1 614 . 9 1 1 A 55 55 PRO CA C 53 63.993 64.128 -0.135 1 1 615 . 9 1 1 A 55 55 PRO CB C 53 33.002 31.608 1.394 1 1 618 . 9 1 1 A 56 56 LYS H H 54 7.931 8.289 -0.358 1 1 619 . 9 1 1 A 56 56 LYS HA H 54 3.988 4.309 -0.321 1 1 628 . 9 1 1 A 56 56 LYS C C 54 177.931 176.305 1.626 1 1 629 . 9 1 1 A 56 56 LYS CA C 54 56.770 56.176 0.594 1 1 630 . 9 1 1 A 56 56 LYS CB C 54 32.023 33.016 -0.993 1 1 634 . 9 1 1 A 56 56 LYS N N 54 112.924 116.027 -3.103 1 1 635 . 9 1 1 A 57 57 LEU H H 55 7.162 7.094 0.068 1 1 636 . 9 1 1 A 57 57 LEU HA H 55 4.059 3.880 0.179 1 1 646 . 9 1 1 A 57 57 LEU C C 55 179.416 177.621 1.795 1 1 647 . 9 1 1 A 57 57 LEU CA C 55 56.088 55.475 0.613 1 1 648 . 9 1 1 A 57 57 LEU CB C 55 42.191 43.040 -0.849 1 1 652 . 9 1 1 A 57 57 LEU N N 55 120.593 122.686 -2.093 1 1 653 . 9 1 1 A 58 58 LYS H H 56 8.720 8.854 -0.134 1 1 654 . 9 1 1 A 58 58 LYS HA H 56 3.920 3.831 0.089 1 1 663 . 9 1 1 A 58 58 LYS C C 56 178.937 178.071 0.866 1 1 664 . 9 1 1 A 58 58 LYS CA C 56 60.301 59.877 0.424 1 1 665 . 9 1 1 A 58 58 LYS CB C 56 32.121 32.292 -0.171 1 1 669 . 9 1 1 A 58 58 LYS N N 56 125.479 125.977 -0.498 1 1 670 . 9 1 1 A 59 59 TRP H H 57 7.811 8.310 -0.499 1 1 671 . 9 1 1 A 59 59 TRP HA H 57 4.664 4.508 0.156 1 1 680 . 9 1 1 A 59 59 TRP C C 57 178.868 179.326 -0.458 1 1 681 . 9 1 1 A 59 59 TRP CA C 57 58.897 59.939 -1.042 1 1 682 . 9 1 1 A 59 59 TRP CB C 57 28.036 28.080 -0.044 1 1 688 . 9 1 1 A 59 59 TRP N N 57 113.433 118.886 -5.453 1 1 690 . 9 1 1 A 60 60 ILE H H 58 6.467 7.392 -0.925 1 1 691 . 9 1 1 A 60 60 ILE HA H 58 3.325 3.465 -0.140 1 1 701 . 9 1 1 A 60 60 ILE C C 58 177.726 177.863 -0.137 1 1 702 . 9 1 1 A 60 60 ILE CA C 58 64.314 64.713 -0.399 1 1 703 . 9 1 1 A 60 60 ILE CB C 58 35.897 36.938 -1.041 1 1 707 . 9 1 1 A 60 60 ILE N N 58 124.379 122.478 1.901 1 1 708 . 9 1 1 A 61 61 GLN H H 59 7.624 8.725 -1.101 1 1 709 . 9 1 1 A 61 61 GLN HA H 59 3.755 3.878 -0.123 1 1 716 . 9 1 1 A 61 61 GLN C C 59 178.434 178.696 -0.262 1 1 717 . 9 1 1 A 61 61 GLN CA C 59 59.379 59.479 -0.100 1 1 718 . 9 1 1 A 61 61 GLN CB C 59 28.602 28.145 0.457 1 1 720 . 9 1 1 A 61 61 GLN N N 59 119.070 118.317 0.753 1 1 722 . 9 1 1 A 62 62 GLU H H 60 8.064 8.324 -0.260 1 1 723 . 9 1 1 A 62 62 GLU HA H 60 4.087 4.121 -0.034 1 1 728 . 9 1 1 A 62 62 GLU C C 60 179.051 178.464 0.587 1 1 729 . 9 1 1 A 62 62 GLU CA C 60 59.659 59.387 0.272 1 1 730 . 9 1 1 A 62 62 GLU CB C 60 30.457 29.120 1.337 1 1 732 . 9 1 1 A 62 62 GLU N N 60 117.166 118.514 -1.348 1 1 733 . 9 1 1 A 63 63 TYR H H 61 7.924 8.218 -0.294 1 1 734 . 9 1 1 A 63 63 TYR HA H 61 4.254 4.253 0.001 1 1 741 . 9 1 1 A 63 63 TYR C C 61 178.617 177.695 0.922 1 1 742 . 9 1 1 A 63 63 TYR CA C 61 61.184 61.469 -0.285 1 1 743 . 9 1 1 A 63 63 TYR CB C 61 39.461 38.770 0.691 1 1 746 . 9 1 1 A 63 63 TYR N N 61 121.271 122.290 -1.019 1 1 747 . 9 1 1 A 64 64 LEU H H 62 8.260 9.182 -0.922 1 1 748 . 9 1 1 A 64 64 LEU HA H 62 3.966 3.969 -0.003 1 1 758 . 9 1 1 A 64 64 LEU C C 62 179.553 178.883 0.670 1 1 759 . 9 1 1 A 64 64 LEU CA C 62 58.014 58.331 -0.317 1 1 760 . 9 1 1 A 64 64 LEU CB C 62 42.397 41.633 0.764 1 1 764 . 9 1 1 A 64 64 LEU N N 62 116.299 120.223 -3.924 1 1 765 . 9 1 1 A 65 65 GLU H H 63 8.454 8.445 0.009 1 1 766 . 9 1 1 A 65 65 GLU HA H 63 3.854 3.929 -0.075 1 1 771 . 9 1 1 A 65 65 GLU C C 63 179.279 179.187 0.092 1 1 772 . 9 1 1 A 65 65 GLU CA C 63 60.301 59.870 0.431 1 1 773 . 9 1 1 A 65 65 GLU CB C 63 29.870 29.381 0.489 1 1 775 . 9 1 1 A 65 65 GLU N N 63 118.616 117.699 0.917 1 1 776 . 9 1 1 A 66 66 LYS H H 64 7.575 8.245 -0.670 1 1 777 . 9 1 1 A 66 66 LYS HA H 64 4.225 4.063 0.162 1 1 786 . 9 1 1 A 66 66 LYS C C 64 178.457 178.658 -0.201 1 1 787 . 9 1 1 A 66 66 LYS CA C 64 58.496 59.214 -0.718 1 1 788 . 9 1 1 A 66 66 LYS CB C 64 32.400 31.937 0.463 1 1 792 . 9 1 1 A 66 66 LYS N N 64 117.166 118.577 -1.411 1 1 793 . 9 1 1 A 67 67 CYS H H 65 7.918 8.049 -0.131 1 1 794 . 9 1 1 A 67 67 CYS HA H 65 4.526 4.295 0.231 1 1 797 . 9 1 1 A 67 67 CYS C C 65 174.893 177.391 -2.498 1 1 798 . 9 1 1 A 67 67 CYS CA C 65 56.329 62.102 -5.773 1 1 799 . 9 1 1 A 67 67 CYS CB C 65 45.235 27.273 17.962 1 1 800 . 9 1 1 A 67 67 CYS N N 65 115.330 118.546 -3.216 1 1 801 . 9 1 1 A 68 68 LEU H H 66 7.559 8.347 -0.788 1 1 802 . 9 1 1 A 68 68 LEU HA H 66 4.491 4.080 0.411 1 1 812 . 9 1 1 A 68 68 LEU C C 66 176.812 178.498 -1.686 1 1 813 . 9 1 1 A 68 68 LEU CA C 66 55.366 57.712 -2.346 1 1 814 . 9 1 1 A 68 68 LEU CB C 66 43.278 41.645 1.633 1 1 818 . 9 1 1 A 68 68 LEU N N 66 120.930 122.243 -1.313 1 1 819 . 9 1 1 A 69 69 ASN H H 67 8.265 7.833 0.432 1 1 820 . 9 1 1 A 69 69 ASN HA H 67 4.669 4.719 -0.050 1 1 825 . 9 1 1 A 69 69 ASN CA C 67 53.761 55.039 -1.278 1 1 826 . 9 1 1 A 69 69 ASN CB C 67 39.069 39.415 -0.346 1 1 827 . 9 1 1 A 69 69 ASN N N 67 120.279 117.068 3.211 1 1 852 . 9 2 2 B 4 4 GLU H H 102 8.342 8.702 -0.360 1 1 853 . 9 2 2 B 4 4 GLU HA H 102 4.282 4.930 -0.648 1 1 858 . 9 2 2 B 4 4 GLU C C 102 177.132 174.416 2.716 1 1 859 . 9 2 2 B 4 4 GLU CA C 102 57.410 55.066 2.344 1 1 861 . 9 2 2 B 4 4 GLU N N 102 121.884 124.866 -2.982 1 1 862 . 9 2 2 B 5 5 GLY H H 103 8.331 8.506 -0.175 1 1 863 . 9 2 2 B 5 5 GLY HA2 H 103 3.960 4.279 -0.319 1 1 864 . 9 2 2 B 5 5 GLY HA3 H 103 3.960 4.288 -0.328 1 1 865 . 9 2 2 B 5 5 GLY C C 103 174.207 174.915 -0.708 1 1 866 . 9 2 2 B 5 5 GLY CA C 103 45.731 45.926 -0.195 1 1 867 . 9 2 2 B 5 5 GLY N N 103 110.055 111.960 -1.905 1 1 868 . 9 2 2 B 6 6 ILE H H 104 7.831 7.468 0.363 1 1 869 . 9 2 2 B 6 6 ILE HA H 104 4.286 4.120 0.166 1 1 879 . 9 2 2 B 6 6 ILE C C 104 176.401 176.457 -0.056 1 1 880 . 9 2 2 B 6 6 ILE CA C 104 61.558 62.724 -1.166 1 1 881 . 9 2 2 B 6 6 ILE CB C 104 39.436 39.619 -0.183 1 1 885 . 9 2 2 B 6 6 ILE N N 104 119.606 117.059 2.547 1 1 886 . 9 2 2 B 7 7 SER H H 105 8.350 8.061 0.289 1 1 887 . 9 2 2 B 7 7 SER HA H 105 4.545 4.324 0.221 1 1 890 . 9 2 2 B 7 7 SER C C 105 174.550 173.391 1.159 1 1 891 . 9 2 2 B 7 7 SER CA C 105 58.667 57.366 1.301 1 1 892 . 9 2 2 B 7 7 SER CB C 105 64.072 63.038 1.034 1 1 893 . 9 2 2 B 7 7 SER N N 105 119.853 115.874 3.979 1 1 894 . 9 2 2 B 8 8 ILE H H 106 7.921 8.714 -0.793 1 1 895 . 9 2 2 B 8 8 ILE HA H 106 4.205 4.587 -0.382 1 1 905 . 9 2 2 B 8 8 ILE C C 106 175.921 174.011 1.910 1 1 906 . 9 2 2 B 8 8 ILE CA C 106 61.935 58.553 3.382 1 1 907 . 9 2 2 B 8 8 ILE CB C 106 39.436 42.306 -2.870 1 1 911 . 9 2 2 B 8 8 ILE N N 106 121.730 121.554 0.176 1 1 912 . 9 2 2 B 9 9 TYR H H 107 8.166 8.159 0.007 1 1 913 . 9 2 2 B 9 9 TYR HA H 107 4.713 5.257 -0.544 1 1 920 . 9 2 2 B 9 9 TYR C C 107 176.058 174.962 1.096 1 1 921 . 9 2 2 B 9 9 TYR CA C 107 58.165 55.952 2.213 1 1 922 . 9 2 2 B 9 9 TYR CB C 107 39.436 43.056 -3.620 1 1 925 . 9 2 2 B 9 9 TYR N N 107 123.598 119.405 4.193 1 1 926 . 9 2 2 B 10 10 THR H H 108 7.961 8.857 -0.896 1 1 927 . 9 2 2 B 10 10 THR HA H 108 4.433 4.849 -0.416 1 1 932 . 9 2 2 B 10 10 THR C C 108 174.459 174.234 0.225 1 1 933 . 9 2 2 B 10 10 THR CA C 108 62.061 60.858 1.203 1 1 934 . 9 2 2 B 10 10 THR CB C 108 70.608 71.986 -1.378 1 1 936 . 9 2 2 B 10 10 THR N N 108 115.642 114.781 0.861 1 1 937 . 9 2 2 B 11 11 SER H H 109 8.211 8.503 -0.292 1 1 938 . 9 2 2 B 11 11 SER HA H 109 4.507 4.512 -0.005 1 1 941 . 9 2 2 B 11 11 SER C C 109 174.504 172.752 1.752 1 1 942 . 9 2 2 B 11 11 SER CA C 109 58.919 58.958 -0.039 1 1 943 . 9 2 2 B 11 11 SER CB C 109 64.198 62.033 2.165 1 1 944 . 9 2 2 B 11 11 SER N N 109 117.260 117.205 0.055 1 1 945 . 9 2 2 B 12 12 ASP H H 110 8.351 8.332 0.019 1 1 946 . 9 2 2 B 12 12 ASP HA H 110 4.631 5.047 -0.416 1 1 949 . 9 2 2 B 12 12 ASP C C 110 176.058 173.962 2.096 1 1 950 . 9 2 2 B 12 12 ASP CA C 110 55.022 53.004 2.018 1 1 951 . 9 2 2 B 12 12 ASP CB C 110 41.825 45.087 -3.262 1 1 952 . 9 2 2 B 12 12 ASP N N 110 122.020 122.216 -0.196 1 1 953 . 9 2 2 B 13 13 ASN H H 111 8.230 8.691 -0.461 1 1 954 . 9 2 2 B 13 13 ASN HA H 111 4.726 4.968 -0.242 1 1 957 . 9 2 2 B 13 13 ASN C C 111 175.030 173.933 1.097 1 1 958 . 9 2 2 B 13 13 ASN CA C 111 53.765 52.578 1.187 1 1 959 . 9 2 2 B 13 13 ASN CB C 111 39.562 38.092 1.470 1 1 960 . 9 2 2 B 13 13 ASN N N 111 118.317 121.253 -2.936 1 1 961 . 9 2 2 B 14 14 TYR H H 112 8.101 8.249 -0.148 1 1 962 . 9 2 2 B 14 14 TYR HA H 112 4.638 4.831 -0.193 1 1 969 . 9 2 2 B 14 14 TYR C C 112 176.081 173.453 2.628 1 1 970 . 9 2 2 B 14 14 TYR CA C 112 58.793 58.207 0.586 1 1 971 . 9 2 2 B 14 14 TYR CB C 112 39.436 40.678 -1.242 1 1 974 . 9 2 2 B 14 14 TYR N N 112 120.850 124.542 -3.692 1 1 975 . 9 2 2 B 15 15 THR H H 113 7.879 7.781 0.098 1 1 976 . 9 2 2 B 15 15 THR HA H 113 4.284 4.324 -0.040 1 1 981 . 9 2 2 B 15 15 THR C C 113 174.413 174.685 -0.272 1 1 982 . 9 2 2 B 15 15 THR CA C 113 62.187 60.422 1.765 1 1 983 . 9 2 2 B 15 15 THR CB C 113 70.341 67.612 2.729 1 1 985 . 9 2 2 B 15 15 THR N N 113 116.126 118.289 -2.163 1 1 986 . 9 2 2 B 16 16 GLU H H 114 8.253 8.182 0.071 1 1 987 . 9 2 2 B 16 16 GLU HA H 114 4.256 4.535 -0.279 1 1 992 . 9 2 2 B 16 16 GLU C C 114 176.766 177.086 -0.320 1 1 993 . 9 2 2 B 16 16 GLU CA C 114 57.410 56.364 1.046 1 1 994 . 9 2 2 B 16 16 GLU CB C 114 30.620 29.530 1.090 1 1 996 . 9 2 2 B 16 16 GLU N N 114 123.052 125.809 -2.757 1 1 997 . 9 2 2 B 17 17 GLU H H 115 8.331 8.375 -0.044 1 1 998 . 9 2 2 B 17 17 GLU HA H 115 4.292 4.623 -0.331 1 1 1003 . 9 2 2 B 17 17 GLU C C 115 176.880 176.153 0.727 1 1 1004 . 9 2 2 B 17 17 GLU CA C 115 57.410 56.575 0.835 1 1 1005 . 9 2 2 B 17 17 GLU CB C 115 30.525 31.917 -1.392 1 1 1007 . 9 2 2 B 17 17 GLU N N 115 121.688 116.724 4.964 1 1 1008 . 9 2 2 B 18 18 MET H H 116 8.317 7.850 0.467 1 1 1009 . 9 2 2 B 18 18 MET HA H 116 4.490 5.047 -0.557 1 1 1014 . 9 2 2 B 18 18 MET C C 116 177.086 175.057 2.029 1 1 1015 . 9 2 2 B 18 18 MET CA C 116 56.279 54.329 1.950 1 1 1016 . 9 2 2 B 18 18 MET CB C 116 33.026 38.133 -5.107 1 1 1017 . 9 2 2 B 18 18 MET N N 116 121.270 118.903 2.367 1 1 1018 . 9 2 2 B 19 19 GLY H H 117 8.320 8.385 -0.065 1 1 1019 . 9 2 2 B 19 19 GLY HA2 H 117 4.054 4.115 -0.061 1 1 1020 . 9 2 2 B 19 19 GLY HA3 H 117 4.054 4.127 -0.073 1 1 1021 . 9 2 2 B 19 19 GLY C C 117 174.481 171.892 2.589 1 1 1022 . 9 2 2 B 19 19 GLY CA C 117 45.847 45.805 0.042 1 1 1023 . 9 2 2 B 19 19 GLY N N 117 110.055 108.641 1.414 1 1 1024 . 9 2 2 B 20 20 SER H H 118 8.230 8.736 -0.506 1 1 1025 . 9 2 2 B 20 20 SER HA H 118 4.476 5.351 -0.875 1 1 1028 . 9 2 2 B 20 20 SER C C 118 175.327 173.506 1.821 1 1 1029 . 9 2 2 B 20 20 SER CA C 118 58.919 56.517 2.402 1 1 1030 . 9 2 2 B 20 20 SER CB C 118 64.575 66.286 -1.711 1 1 1031 . 9 2 2 B 20 20 SER N N 118 115.664 116.008 -0.344 1 1 1032 . 9 2 2 B 21 21 GLY H H 119 8.371 8.437 -0.066 1 1 1033 . 9 2 2 B 21 21 GLY HA2 H 119 3.951 4.476 -0.525 1 1 1034 . 9 2 2 B 21 21 GLY HA3 H 119 3.951 4.478 -0.527 1 1 1035 . 9 2 2 B 21 21 GLY C C 119 174.002 171.557 2.445 1 1 1036 . 9 2 2 B 21 21 GLY CA C 119 45.721 45.084 0.637 1 1 1037 . 9 2 2 B 21 21 GLY N N 119 110.872 107.061 3.811 1 1 1068 . 9 2 2 B 25 25 SER H H 123 8.155 8.214 -0.059 1 1 1069 . 9 2 2 B 25 25 SER HA H 123 4.404 4.050 0.354 1 1 1072 . 9 2 2 B 25 25 SER C C 123 175.075 173.781 1.294 1 1 1073 . 9 2 2 B 25 25 SER CA C 123 59.347 59.396 -0.049 1 1 1074 . 9 2 2 B 25 25 SER CB C 123 63.879 62.161 1.718 1 1 1075 . 9 2 2 B 25 25 SER N N 123 116.126 113.852 2.274 1 1 1076 . 9 2 2 B 26 26 MET H H 124 8.221 7.973 0.248 1 1 1077 . 9 2 2 B 26 26 MET HA H 124 4.482 4.736 -0.254 1 1 1082 . 9 2 2 B 26 26 MET C C 124 176.355 173.967 2.388 1 1 1083 . 9 2 2 B 26 26 MET CA C 124 56.279 54.709 1.570 1 1 1084 . 9 2 2 B 26 26 MET CB C 124 32.900 33.036 -0.136 1 1 1086 . 9 2 2 B 26 26 MET N N 124 121.210 119.254 1.956 1 1 1087 . 9 2 2 B 27 27 LYS H H 125 8.036 8.704 -0.668 1 1 1088 . 9 2 2 B 27 27 LYS HA H 125 4.333 4.888 -0.555 1 1 1097 . 9 2 2 B 27 27 LYS C C 125 176.355 175.000 1.355 1 1 1098 . 9 2 2 B 27 27 LYS CA C 125 56.656 54.412 2.244 1 1 1099 . 9 2 2 B 27 27 LYS CB C 125 33.529 36.148 -2.619 1 1 1103 . 9 2 2 B 27 27 LYS N N 125 121.457 125.705 -4.248 1 1 1104 . 9 2 2 B 28 28 GLU H H 126 8.205 9.065 -0.860 1 1 1105 . 9 2 2 B 28 28 GLU N N 126 122.740 118.463 4.277 1 1 1106 . 9 2 2 B 29 29 PRO HA H 127 4.377 4.442 -0.065 1 1 1113 . 9 2 2 B 29 29 PRO C C 127 176.812 177.258 -0.446 1 1 1114 . 9 2 2 B 29 29 PRO CA C 127 63.821 63.281 0.540 1 1 1115 . 9 2 2 B 29 29 PRO CB C 127 32.272 32.118 0.154 1 1 1118 . 9 2 2 B 30 30 ALA H H 128 8.273 8.205 0.068 1 1 1119 . 9 2 2 B 30 30 ALA HA H 128 4.287 4.199 0.088 1 1 1123 . 9 2 2 B 30 30 ALA C C 128 177.589 177.225 0.364 1 1 1124 . 9 2 2 B 30 30 ALA CA C 128 52.873 52.734 0.139 1 1 1125 . 9 2 2 B 30 30 ALA CB C 128 19.703 19.026 0.677 1 1 1126 . 9 2 2 B 30 30 ALA N N 128 123.577 125.607 -2.030 1 1 1127 . 9 2 2 B 31 31 PHE H H 129 8.019 7.731 0.288 1 1 1128 . 9 2 2 B 31 31 PHE HA H 129 4.621 4.591 0.030 1 1 1135 . 9 2 2 B 31 31 PHE C C 129 175.624 174.637 0.987 1 1 1136 . 9 2 2 B 31 31 PHE CA C 129 58.039 56.989 1.050 1 1 1137 . 9 2 2 B 31 31 PHE CB C 129 40.055 37.287 2.768 1 1 1140 . 9 2 2 B 31 31 PHE N N 129 118.994 118.842 0.152 1 1 1141 . 9 2 2 B 32 32 ARG H H 130 8.042 8.330 -0.288 1 1 1142 . 9 2 2 B 32 32 ARG HA H 130 4.332 4.710 -0.378 1 1 1149 . 9 2 2 B 32 32 ARG C C 130 175.875 174.349 1.526 1 1 1150 . 9 2 2 B 32 32 ARG CA C 130 56.154 55.109 1.045 1 1 1151 . 9 2 2 B 32 32 ARG CB C 130 31.643 33.508 -1.865 1 1 1154 . 9 2 2 B 32 32 ARG N N 130 122.929 125.706 -2.777 1 1 1155 . 9 2 2 B 33 33 GLU H H 131 8.389 8.661 -0.272 1 1 1156 . 9 2 2 B 33 33 GLU HA H 131 4.276 4.638 -0.362 1 1 1161 . 9 2 2 B 33 33 GLU C C 131 176.766 175.336 1.430 1 1 1162 . 9 2 2 B 33 33 GLU CA C 131 57.285 56.352 0.933 1 1 1163 . 9 2 2 B 33 33 GLU CB C 131 30.512 29.852 0.660 1 1 1165 . 9 2 2 B 33 33 GLU N N 131 122.719 126.418 -3.699 1 1 1166 . 9 2 2 B 34 34 GLU H H 132 8.502 8.727 -0.225 1 1 1167 . 9 2 2 B 34 34 GLU HA H 132 4.275 4.618 -0.343 1 1 1172 . 9 2 2 B 34 34 GLU C C 132 176.560 174.657 1.903 1 1 1173 . 9 2 2 B 34 34 GLU CA C 132 57.400 55.355 2.045 1 1 1174 . 9 2 2 B 34 34 GLU CB C 132 30.526 29.332 1.194 1 1 1176 . 9 2 2 B 34 34 GLU N N 132 122.122 125.074 -2.952 1 1 1177 . 9 2 2 B 35 35 ASN H H 133 8.362 8.921 -0.559 1 1 1178 . 9 2 2 B 35 35 ASN HA H 133 4.693 4.845 -0.152 1 1 1181 . 9 2 2 B 35 35 ASN C C 133 175.258 175.760 -0.502 1 1 1182 . 9 2 2 B 35 35 ASN CA C 133 53.765 51.899 1.866 1 1 1183 . 9 2 2 B 35 35 ASN CB C 133 39.562 38.657 0.905 1 1 1184 . 9 2 2 B 35 35 ASN N N 133 119.552 124.535 -4.983 1 1 1185 . 9 2 2 B 36 36 ALA H H 134 8.155 8.483 -0.328 1 1 1186 . 9 2 2 B 36 36 ALA HA H 134 4.289 4.673 -0.384 1 1 1190 . 9 2 2 B 36 36 ALA C C 134 177.520 177.061 0.459 1 1 1191 . 9 2 2 B 36 36 ALA CA C 134 52.873 51.316 1.557 1 1 1192 . 9 2 2 B 36 36 ALA CB C 134 19.703 20.080 -0.377 1 1 1193 . 9 2 2 B 36 36 ALA N N 134 124.376 129.312 -4.936 1 1 1194 . 9 2 2 B 37 37 ASN H H 135 8.210 7.526 0.684 1 1 1195 . 9 2 2 B 37 37 ASN HA H 135 4.694 5.027 -0.333 1 1 1198 . 9 2 2 B 37 37 ASN C C 135 175.144 174.412 0.732 1 1 1199 . 9 2 2 B 37 37 ASN CA C 135 53.640 52.290 1.350 1 1 1200 . 9 2 2 B 37 37 ASN CB C 135 39.311 39.355 -0.044 1 1 1201 . 9 2 2 B 37 37 ASN N N 135 117.103 118.130 -1.027 1 1 1202 . 9 2 2 B 38 38 PHE H H 136 7.997 8.856 -0.859 1 1 1203 . 9 2 2 B 38 38 PHE HA H 136 4.659 5.245 -0.586 1 1 1210 . 9 2 2 B 38 38 PHE C C 136 175.601 173.782 1.819 1 1 1211 . 9 2 2 B 38 38 PHE CA C 136 58.165 56.623 1.542 1 1 1212 . 9 2 2 B 38 38 PHE CB C 136 39.939 42.630 -2.691 1 1 1215 . 9 2 2 B 38 38 PHE N N 136 120.229 127.054 -6.825 1 1 1216 . 9 2 2 B 39 39 ASN H H 137 8.272 8.570 -0.298 1 1 1217 . 9 2 2 B 39 39 ASN HA H 137 4.733 5.340 -0.607 1 1 1220 . 9 2 2 B 39 39 ASN C C 137 174.047 173.807 0.240 1 1 1221 . 9 2 2 B 39 39 ASN CA C 137 53.891 51.496 2.395 1 1 1222 . 9 2 2 B 39 39 ASN CB C 137 39.688 39.783 -0.095 1 1 1223 . 9 2 2 B 39 39 ASN N N 137 120.594 124.277 -3.683 1 1 3 . 10 1 1 A 4 4 PRO HA H 2 4.509 4.529 -0.020 1 1 10 . 10 1 1 A 4 4 PRO C C 2 177.132 176.051 1.081 1 1 11 . 10 1 1 A 4 4 PRO CA C 2 63.529 62.893 0.636 1 1 12 . 10 1 1 A 4 4 PRO CB C 2 32.476 31.449 1.027 1 1 15 . 10 1 1 A 5 5 VAL H H 3 8.201 8.452 -0.251 1 1 16 . 10 1 1 A 5 5 VAL HA H 3 4.152 4.243 -0.091 1 1 24 . 10 1 1 A 5 5 VAL C C 3 176.423 176.205 0.218 1 1 25 . 10 1 1 A 5 5 VAL CA C 3 62.873 62.043 0.830 1 1 26 . 10 1 1 A 5 5 VAL CB C 3 33.455 30.396 3.059 1 1 28 . 10 1 1 A 5 5 VAL N N 3 120.488 125.043 -4.555 1 1 29 . 10 1 1 A 6 6 SER H H 4 8.276 8.356 -0.080 1 1 30 . 10 1 1 A 6 6 SER HA H 4 4.494 4.606 -0.112 1 1 33 . 10 1 1 A 6 6 SER C C 4 174.687 174.120 0.567 1 1 34 . 10 1 1 A 6 6 SER CA C 4 58.375 58.351 0.024 1 1 35 . 10 1 1 A 6 6 SER CB C 4 64.295 64.608 -0.313 1 1 36 . 10 1 1 A 6 6 SER N N 4 119.000 118.925 0.075 1 1 37 . 10 1 1 A 7 7 LEU H H 5 8.238 8.065 0.173 1 1 38 . 10 1 1 A 7 7 LEU HA H 5 4.406 4.373 0.033 1 1 44 . 10 1 1 A 7 7 LEU C C 5 177.406 175.355 2.051 1 1 45 . 10 1 1 A 7 7 LEU CA C 5 55.766 57.053 -1.287 1 1 46 . 10 1 1 A 7 7 LEU CB C 5 43.132 40.846 2.286 1 1 48 . 10 1 1 A 7 7 LEU N N 5 124.704 119.723 4.981 1 1 49 . 10 1 1 A 8 8 SER H H 6 8.148 8.590 -0.442 1 1 50 . 10 1 1 A 8 8 SER HA H 6 4.438 4.419 0.019 1 1 53 . 10 1 1 A 8 8 SER C C 6 174.321 174.470 -0.149 1 1 54 . 10 1 1 A 8 8 SER CA C 6 58.718 58.876 -0.158 1 1 55 . 10 1 1 A 8 8 SER CB C 6 64.295 63.443 0.852 1 1 56 . 10 1 1 A 8 8 SER N N 6 115.960 118.048 -2.088 1 1 57 . 10 1 1 A 9 9 TYR H H 7 7.954 8.209 -0.255 1 1 58 . 10 1 1 A 9 9 TYR HA H 7 4.585 4.291 0.294 1 1 65 . 10 1 1 A 9 9 TYR C C 7 175.532 174.496 1.036 1 1 66 . 10 1 1 A 9 9 TYR CA C 7 58.335 58.354 -0.019 1 1 67 . 10 1 1 A 9 9 TYR CB C 7 39.474 36.590 2.884 1 1 70 . 10 1 1 A 9 9 TYR N N 7 121.884 121.047 0.837 1 1 71 . 10 1 1 A 10 10 ARG H H 8 8.117 7.930 0.187 1 1 72 . 10 1 1 A 10 10 ARG HA H 8 4.349 4.943 -0.594 1 1 79 . 10 1 1 A 10 10 ARG C C 8 175.898 174.813 1.085 1 1 80 . 10 1 1 A 10 10 ARG CA C 8 56.048 54.220 1.828 1 1 81 . 10 1 1 A 10 10 ARG CB C 8 31.492 34.398 -2.906 1 1 84 . 10 1 1 A 10 10 ARG N N 8 121.977 118.179 3.798 1 1 85 . 10 1 1 A 11 11 CYS H H 9 8.127 8.839 -0.712 1 1 86 . 10 1 1 A 11 11 CYS HA H 9 4.984 5.647 -0.663 1 1 89 . 10 1 1 A 11 11 CYS C C 9 177.771 173.919 3.852 1 1 90 . 10 1 1 A 11 11 CYS CA C 9 53.192 54.003 -0.811 1 1 91 . 10 1 1 A 11 11 CYS CB C 9 40.897 45.494 -4.597 1 1 92 . 10 1 1 A 11 11 CYS N N 9 121.209 119.721 1.488 1 1 93 . 10 1 1 A 12 12 PRO HA H 10 4.321 4.409 -0.088 1 1 100 . 10 1 1 A 12 12 PRO CA C 10 65.478 64.266 1.212 1 1 101 . 10 1 1 A 12 12 PRO CB C 10 32.904 31.900 1.004 1 1 104 . 10 1 1 A 13 13 CYS H H 11 8.633 7.637 0.996 1 1 105 . 10 1 1 A 13 13 CYS C C 11 174.618 173.340 1.278 1 1 106 . 10 1 1 A 13 13 CYS N N 11 114.595 114.732 -0.137 1 1 107 . 10 1 1 A 14 14 ARG H H 12 8.236 8.594 -0.358 1 1 108 . 10 1 1 A 14 14 ARG HA H 12 4.067 4.139 -0.072 1 1 115 . 10 1 1 A 14 14 ARG C C 12 175.098 176.136 -1.038 1 1 116 . 10 1 1 A 14 14 ARG CA C 12 57.370 57.348 0.022 1 1 117 . 10 1 1 A 14 14 ARG CB C 12 31.631 30.698 0.933 1 1 120 . 10 1 1 A 14 14 ARG N N 12 122.779 125.796 -3.017 1 1 121 . 10 1 1 A 15 15 PHE H H 13 7.615 7.701 -0.086 1 1 122 . 10 1 1 A 15 15 PHE HA H 13 4.510 4.927 -0.417 1 1 129 . 10 1 1 A 15 15 PHE C C 13 174.162 174.693 -0.531 1 1 130 . 10 1 1 A 15 15 PHE CA C 13 56.289 56.099 0.190 1 1 131 . 10 1 1 A 15 15 PHE CB C 13 41.320 42.390 -1.070 1 1 134 . 10 1 1 A 15 15 PHE N N 13 116.797 114.934 1.863 1 1 135 . 10 1 1 A 16 16 PHE H H 14 8.125 8.423 -0.298 1 1 136 . 10 1 1 A 16 16 PHE HA H 14 4.767 5.840 -1.073 1 1 143 . 10 1 1 A 16 16 PHE C C 14 175.441 174.062 1.379 1 1 144 . 10 1 1 A 16 16 PHE CA C 14 55.767 55.269 0.498 1 1 145 . 10 1 1 A 16 16 PHE CB C 14 41.320 42.624 -1.304 1 1 148 . 10 1 1 A 16 16 PHE N N 14 118.930 118.087 0.843 1 1 149 . 10 1 1 A 17 17 GLU H H 15 8.836 9.292 -0.456 1 1 150 . 10 1 1 A 17 17 GLU HA H 15 4.579 4.568 0.011 1 1 155 . 10 1 1 A 17 17 GLU C C 15 176.857 176.621 0.236 1 1 156 . 10 1 1 A 17 17 GLU CA C 15 56.289 56.697 -0.408 1 1 157 . 10 1 1 A 17 17 GLU CB C 15 31.173 30.431 0.742 1 1 159 . 10 1 1 A 17 17 GLU N N 15 122.929 122.515 0.414 1 1 160 . 10 1 1 A 18 18 SER H H 16 8.751 9.025 -0.274 1 1 161 . 10 1 1 A 18 18 SER HA H 16 4.762 4.565 0.197 1 1 164 . 10 1 1 A 18 18 SER C C 16 177.497 174.403 3.094 1 1 165 . 10 1 1 A 18 18 SER CA C 16 59.328 59.857 -0.529 1 1 166 . 10 1 1 A 18 18 SER CB C 16 64.515 64.805 -0.290 1 1 167 . 10 1 1 A 18 18 SER N N 16 118.860 119.959 -1.099 1 1 168 . 10 1 1 A 19 19 HIS H H 17 8.761 8.035 0.726 1 1 169 . 10 1 1 A 19 19 HIS HA H 17 4.859 4.781 0.078 1 1 174 . 10 1 1 A 19 19 HIS C C 17 174.618 174.163 0.455 1 1 175 . 10 1 1 A 19 19 HIS CA C 17 56.449 54.934 1.515 1 1 176 . 10 1 1 A 19 19 HIS CB C 17 29.870 27.629 2.241 1 1 179 . 10 1 1 A 19 19 HIS N N 17 120.535 118.839 1.696 1 1 180 . 10 1 1 A 20 20 VAL H H 18 7.157 8.275 -1.118 1 1 181 . 10 1 1 A 20 20 VAL HA H 18 4.181 4.648 -0.467 1 1 189 . 10 1 1 A 20 20 VAL C C 18 174.436 174.856 -0.420 1 1 190 . 10 1 1 A 20 20 VAL CA C 18 62.167 60.451 1.716 1 1 191 . 10 1 1 A 20 20 VAL CB C 18 34.426 35.672 -1.246 1 1 193 . 10 1 1 A 20 20 VAL N N 18 120.872 123.519 -2.647 1 1 194 . 10 1 1 A 21 21 ALA H H 19 8.521 8.694 -0.173 1 1 195 . 10 1 1 A 21 21 ALA HA H 19 4.372 4.216 0.156 1 1 199 . 10 1 1 A 21 21 ALA C C 19 177.657 177.916 -0.259 1 1 200 . 10 1 1 A 21 21 ALA CA C 19 51.193 51.972 -0.779 1 1 201 . 10 1 1 A 21 21 ALA CB C 19 19.790 18.973 0.817 1 1 202 . 10 1 1 A 21 21 ALA N N 19 131.339 128.489 2.850 1 1 203 . 10 1 1 A 22 22 ARG H H 20 7.790 8.129 -0.339 1 1 204 . 10 1 1 A 22 22 ARG HA H 20 2.445 2.422 0.023 1 1 211 . 10 1 1 A 22 22 ARG C C 20 178.365 177.176 1.189 1 1 212 . 10 1 1 A 22 22 ARG CA C 20 59.379 58.575 0.804 1 1 213 . 10 1 1 A 22 22 ARG CB C 20 29.572 29.020 0.552 1 1 216 . 10 1 1 A 22 22 ARG N N 20 124.365 123.953 0.412 1 1 217 . 10 1 1 A 23 23 ALA H H 21 8.120 7.462 0.658 1 1 218 . 10 1 1 A 23 23 ALA HA H 21 4.060 4.116 -0.056 1 1 222 . 10 1 1 A 23 23 ALA C C 21 178.000 177.761 0.239 1 1 223 . 10 1 1 A 23 23 ALA CA C 21 54.100 53.273 0.827 1 1 224 . 10 1 1 A 23 23 ALA CB C 21 18.713 18.628 0.085 1 1 225 . 10 1 1 A 23 23 ALA N N 21 117.156 120.428 -3.272 1 1 226 . 10 1 1 A 24 24 ASN H H 22 7.717 7.741 -0.024 1 1 227 . 10 1 1 A 24 24 ASN HA H 22 5.010 4.806 0.204 1 1 232 . 10 1 1 A 24 24 ASN C C 22 174.938 174.700 0.238 1 1 233 . 10 1 1 A 24 24 ASN CA C 22 52.869 52.296 0.573 1 1 234 . 10 1 1 A 24 24 ASN CB C 22 40.573 38.706 1.867 1 1 235 . 10 1 1 A 24 24 ASN N N 22 112.819 115.187 -2.368 1 1 237 . 10 1 1 A 25 25 VAL H H 23 7.489 7.284 0.205 1 1 238 . 10 1 1 A 25 25 VAL HA H 23 4.888 4.342 0.546 1 1 246 . 10 1 1 A 25 25 VAL C C 23 175.829 175.548 0.281 1 1 247 . 10 1 1 A 25 25 VAL CA C 23 59.870 59.827 0.043 1 1 248 . 10 1 1 A 25 25 VAL CB C 23 35.396 33.989 1.407 1 1 251 . 10 1 1 A 25 25 VAL N N 23 119.721 117.811 1.910 1 1 252 . 10 1 1 A 26 26 LYS H H 24 9.479 9.449 0.030 1 1 253 . 10 1 1 A 26 26 LYS HA H 24 4.353 4.302 0.051 1 1 262 . 10 1 1 A 26 26 LYS C C 24 176.606 176.787 -0.181 1 1 263 . 10 1 1 A 26 26 LYS CA C 24 58.977 57.780 1.197 1 1 264 . 10 1 1 A 26 26 LYS CB C 24 34.567 32.926 1.641 1 1 268 . 10 1 1 A 26 26 LYS N N 24 127.843 121.918 5.925 1 1 269 . 10 1 1 A 27 27 HIS H H 25 7.237 7.472 -0.235 1 1 270 . 10 1 1 A 27 27 HIS HA H 25 4.979 4.949 0.030 1 1 275 . 10 1 1 A 27 27 HIS C C 25 178.434 172.488 5.946 1 1 276 . 10 1 1 A 27 27 HIS CA C 25 55.406 54.854 0.552 1 1 277 . 10 1 1 A 27 27 HIS CB C 25 32.480 31.553 0.927 1 1 280 . 10 1 1 A 27 27 HIS N N 25 109.556 113.279 -3.723 1 1 281 . 10 1 1 A 28 28 LEU H H 26 8.189 8.826 -0.637 1 1 282 . 10 1 1 A 28 28 LEU HA H 26 5.190 5.195 -0.005 1 1 292 . 10 1 1 A 28 28 LEU C C 26 175.510 175.370 0.140 1 1 293 . 10 1 1 A 28 28 LEU CA C 26 53.480 53.518 -0.038 1 1 294 . 10 1 1 A 28 28 LEU CB C 26 45.235 45.204 0.031 1 1 298 . 10 1 1 A 28 28 LEU N N 26 117.260 119.333 -2.073 1 1 299 . 10 1 1 A 29 29 LYS H H 27 9.572 9.158 0.414 1 1 300 . 10 1 1 A 29 29 LYS HA H 27 5.372 5.274 0.098 1 1 309 . 10 1 1 A 29 29 LYS C C 27 174.801 174.598 0.203 1 1 310 . 10 1 1 A 29 29 LYS CA C 27 55.165 54.775 0.390 1 1 311 . 10 1 1 A 29 29 LYS CB C 27 35.253 35.640 -0.387 1 1 315 . 10 1 1 A 29 29 LYS N N 27 123.488 123.217 0.271 1 1 316 . 10 1 1 A 30 30 ILE H H 28 9.136 9.041 0.095 1 1 317 . 10 1 1 A 30 30 ILE HA H 28 4.926 4.989 -0.063 1 1 327 . 10 1 1 A 30 30 ILE C C 28 176.949 175.522 1.427 1 1 328 . 10 1 1 A 30 30 ILE CA C 28 60.542 59.678 0.864 1 1 329 . 10 1 1 A 30 30 ILE CB C 28 39.600 40.871 -1.271 1 1 333 . 10 1 1 A 30 30 ILE N N 28 123.846 127.292 -3.446 1 1 334 . 10 1 1 A 31 31 LEU H H 29 8.830 9.029 -0.199 1 1 335 . 10 1 1 A 31 31 LEU HA H 29 4.535 4.909 -0.374 1 1 344 . 10 1 1 A 31 31 LEU C C 29 176.012 175.032 0.980 1 1 345 . 10 1 1 A 31 31 LEU CA C 29 55.366 53.513 1.853 1 1 346 . 10 1 1 A 31 31 LEU CB C 29 43.180 44.790 -1.610 1 1 349 . 10 1 1 A 31 31 LEU N N 29 128.649 126.384 2.265 1 1 350 . 10 1 1 A 32 32 ASN H H 30 8.216 9.000 -0.784 1 1 351 . 10 1 1 A 32 32 ASN HA H 30 5.013 5.136 -0.123 1 1 356 . 10 1 1 A 32 32 ASN C C 30 174.664 174.381 0.283 1 1 357 . 10 1 1 A 32 32 ASN CA C 30 52.517 51.952 0.565 1 1 358 . 10 1 1 A 32 32 ASN CB C 30 38.776 39.611 -0.835 1 1 359 . 10 1 1 A 32 32 ASN N N 30 120.791 123.719 -2.928 1 1 361 . 10 1 1 A 33 33 THR H H 31 7.883 8.716 -0.833 1 1 362 . 10 1 1 A 33 33 THR HA H 31 4.842 4.992 -0.150 1 1 367 . 10 1 1 A 33 33 THR CA C 31 58.369 59.013 -0.644 1 1 368 . 10 1 1 A 33 33 THR CB C 31 70.018 69.278 0.740 1 1 370 . 10 1 1 A 33 33 THR N N 31 115.811 117.639 -1.828 1 1 371 . 10 1 1 A 34 34 PRO HA H 32 4.317 4.598 -0.281 1 1 378 . 10 1 1 A 34 34 PRO CA C 32 65.164 62.294 2.870 1 1 379 . 10 1 1 A 34 34 PRO CB C 32 32.484 29.648 2.836 1 1 382 . 10 1 1 A 35 35 ASN H H 33 8.254 8.483 -0.229 1 1 383 . 10 1 1 A 35 35 ASN HA H 33 4.651 4.910 -0.259 1 1 388 . 10 1 1 A 35 35 ASN C C 33 174.710 174.015 0.695 1 1 389 . 10 1 1 A 35 35 ASN CA C 33 54.532 53.968 0.564 1 1 390 . 10 1 1 A 35 35 ASN CB C 33 39.167 41.199 -2.032 1 1 391 . 10 1 1 A 35 35 ASN N N 33 120.081 120.729 -0.648 1 1 393 . 10 1 1 A 36 36 CYS H H 34 7.548 7.760 -0.212 1 1 394 . 10 1 1 A 36 36 CYS HA H 34 4.694 4.985 -0.291 1 1 397 . 10 1 1 A 36 36 CYS C C 34 173.865 173.731 0.134 1 1 398 . 10 1 1 A 36 36 CYS CA C 34 55.447 54.891 0.556 1 1 399 . 10 1 1 A 36 36 CYS CB C 34 45.228 45.221 0.007 1 1 400 . 10 1 1 A 36 36 CYS N N 34 117.076 116.207 0.869 1 1 401 . 10 1 1 A 37 37 ALA H H 35 8.472 8.668 -0.196 1 1 402 . 10 1 1 A 37 37 ALA HA H 35 4.236 4.203 0.033 1 1 406 . 10 1 1 A 37 37 ALA C C 35 176.423 176.950 -0.527 1 1 407 . 10 1 1 A 37 37 ALA CA C 35 53.537 55.211 -1.674 1 1 408 . 10 1 1 A 37 37 ALA CB C 35 19.202 19.208 -0.006 1 1 409 . 10 1 1 A 37 37 ALA N N 35 125.153 125.681 -0.528 1 1 410 . 10 1 1 A 38 38 CYS H H 36 8.316 7.880 0.436 1 1 411 . 10 1 1 A 38 38 CYS HA H 36 4.196 4.773 -0.577 1 1 414 . 10 1 1 A 38 38 CYS C C 36 173.705 172.662 1.043 1 1 415 . 10 1 1 A 38 38 CYS CA C 36 58.616 57.756 0.860 1 1 416 . 10 1 1 A 38 38 CYS CB C 36 45.705 30.552 15.153 1 1 417 . 10 1 1 A 38 38 CYS N N 36 118.837 114.199 4.638 1 1 418 . 10 1 1 A 39 39 GLN H H 37 8.921 8.870 0.051 1 1 419 . 10 1 1 A 39 39 GLN HA H 37 4.609 5.053 -0.444 1 1 426 . 10 1 1 A 39 39 GLN C C 37 173.636 174.713 -1.077 1 1 427 . 10 1 1 A 39 39 GLN CA C 37 54.603 54.439 0.164 1 1 428 . 10 1 1 A 39 39 GLN CB C 37 31.761 31.135 0.626 1 1 430 . 10 1 1 A 39 39 GLN N N 37 128.567 125.596 2.971 1 1 432 . 10 1 1 A 40 40 ILE H H 38 8.893 9.004 -0.111 1 1 433 . 10 1 1 A 40 40 ILE HA H 38 5.068 4.905 0.163 1 1 443 . 10 1 1 A 40 40 ILE C C 38 174.390 175.584 -1.194 1 1 444 . 10 1 1 A 40 40 ILE CA C 38 60.582 60.139 0.443 1 1 445 . 10 1 1 A 40 40 ILE CB C 38 40.048 38.676 1.372 1 1 449 . 10 1 1 A 40 40 ILE N N 38 123.962 125.699 -1.737 1 1 450 . 10 1 1 A 41 41 VAL H H 39 9.120 9.824 -0.704 1 1 451 . 10 1 1 A 41 41 VAL HA H 39 4.845 5.103 -0.258 1 1 459 . 10 1 1 A 41 41 VAL C C 39 175.487 174.262 1.225 1 1 460 . 10 1 1 A 41 41 VAL CA C 39 59.980 59.683 0.297 1 1 461 . 10 1 1 A 41 41 VAL CB C 39 35.868 34.426 1.442 1 1 464 . 10 1 1 A 41 41 VAL N N 39 126.354 122.789 3.565 1 1 465 . 10 1 1 A 42 42 ALA H H 40 9.513 9.031 0.482 1 1 466 . 10 1 1 A 42 42 ALA HA H 40 5.154 5.167 -0.013 1 1 470 . 10 1 1 A 42 42 ALA C C 40 175.944 175.760 0.184 1 1 471 . 10 1 1 A 42 42 ALA CA C 40 50.591 50.346 0.245 1 1 472 . 10 1 1 A 42 42 ALA CB C 40 22.432 23.192 -0.760 1 1 473 . 10 1 1 A 42 42 ALA N N 40 128.406 125.765 2.641 1 1 474 . 10 1 1 A 43 43 ARG H H 41 7.717 8.429 -0.712 1 1 475 . 10 1 1 A 43 43 ARG HA H 41 4.979 4.658 0.321 1 1 482 . 10 1 1 A 43 43 ARG C C 41 175.510 176.023 -0.513 1 1 483 . 10 1 1 A 43 43 ARG CA C 41 54.162 55.495 -1.333 1 1 484 . 10 1 1 A 43 43 ARG CB C 41 31.200 31.634 -0.434 1 1 487 . 10 1 1 A 43 43 ARG N N 41 121.663 121.097 0.566 1 1 488 . 10 1 1 A 44 44 LEU H H 42 9.163 9.009 0.154 1 1 489 . 10 1 1 A 44 44 LEU HA H 42 5.033 4.406 0.627 1 1 499 . 10 1 1 A 44 44 LEU C C 42 177.840 177.524 0.316 1 1 500 . 10 1 1 A 44 44 LEU CA C 42 54.724 54.797 -0.073 1 1 501 . 10 1 1 A 44 44 LEU CB C 42 41.712 42.266 -0.554 1 1 505 . 10 1 1 A 44 44 LEU N N 42 129.087 124.025 5.062 1 1 506 . 10 1 1 A 45 45 LYS H H 43 8.417 8.957 -0.540 1 1 507 . 10 1 1 A 45 45 LYS HA H 43 3.950 3.934 0.016 1 1 516 . 10 1 1 A 45 45 LYS CA C 43 59.016 57.129 1.887 1 1 517 . 10 1 1 A 45 45 LYS CB C 43 34.102 32.741 1.361 1 1 520 . 10 1 1 A 45 45 LYS N N 43 119.674 121.678 -2.004 1 1 521 . 10 1 1 A 48 48 ASN HA H 46 4.723 5.129 -0.406 1 1 526 . 10 1 1 A 48 48 ASN C C 46 175.098 173.921 1.177 1 1 527 . 10 1 1 A 48 48 ASN CA C 46 54.764 52.027 2.737 1 1 528 . 10 1 1 A 48 48 ASN CB C 46 39.265 42.045 -2.780 1 1 530 . 10 1 1 A 49 49 ARG H H 47 7.919 8.634 -0.715 1 1 531 . 10 1 1 A 49 49 ARG HA H 47 4.353 5.103 -0.750 1 1 538 . 10 1 1 A 49 49 ARG C C 47 175.601 174.358 1.243 1 1 539 . 10 1 1 A 49 49 ARG CA C 47 57.051 53.934 3.117 1 1 540 . 10 1 1 A 49 49 ARG CB C 47 32.121 33.042 -0.921 1 1 543 . 10 1 1 A 49 49 ARG N N 47 119.826 117.779 2.047 1 1 544 . 10 1 1 A 50 50 GLN H H 48 8.547 8.697 -0.150 1 1 545 . 10 1 1 A 50 50 GLN HA H 48 5.456 5.329 0.127 1 1 552 . 10 1 1 A 50 50 GLN C C 48 175.578 175.309 0.269 1 1 553 . 10 1 1 A 50 50 GLN CA C 48 55.125 54.904 0.221 1 1 554 . 10 1 1 A 50 50 GLN CB C 48 32.121 30.407 1.714 1 1 556 . 10 1 1 A 50 50 GLN N N 48 120.767 120.160 0.607 1 1 558 . 10 1 1 A 51 51 VAL H H 49 8.630 9.074 -0.444 1 1 559 . 10 1 1 A 51 51 VAL HA H 49 4.826 4.877 -0.051 1 1 567 . 10 1 1 A 51 51 VAL C C 49 175.258 174.289 0.969 1 1 568 . 10 1 1 A 51 51 VAL CA C 49 59.338 59.189 0.149 1 1 569 . 10 1 1 A 51 51 VAL CB C 49 36.155 35.179 0.976 1 1 572 . 10 1 1 A 51 51 VAL N N 49 116.678 119.338 -2.660 1 1 573 . 10 1 1 A 52 52 CYS H H 50 9.100 8.715 0.385 1 1 574 . 10 1 1 A 52 52 CYS HA H 50 5.301 5.293 0.008 1 1 577 . 10 1 1 A 52 52 CYS C C 50 174.527 173.317 1.210 1 1 578 . 10 1 1 A 52 52 CYS CA C 50 58.054 54.830 3.224 1 1 579 . 10 1 1 A 52 52 CYS CB C 50 43.375 43.434 -0.059 1 1 580 . 10 1 1 A 52 52 CYS N N 50 124.549 119.869 4.680 1 1 581 . 10 1 1 A 53 53 ILE H H 51 8.485 9.683 -1.198 1 1 582 . 10 1 1 A 53 53 ILE HA H 51 4.964 4.817 0.147 1 1 592 . 10 1 1 A 53 53 ILE C C 51 173.019 175.115 -2.096 1 1 593 . 10 1 1 A 53 53 ILE CA C 51 58.897 59.839 -0.942 1 1 594 . 10 1 1 A 53 53 ILE CB C 51 42.201 40.852 1.349 1 1 598 . 10 1 1 A 53 53 ILE N N 51 122.581 126.178 -3.597 1 1 599 . 10 1 1 A 54 54 ASP H H 52 7.661 8.278 -0.617 1 1 600 . 10 1 1 A 54 54 ASP HA H 52 3.642 4.168 -0.526 1 1 603 . 10 1 1 A 54 54 ASP CA C 52 51.574 51.575 -0.001 1 1 604 . 10 1 1 A 54 54 ASP CB C 52 42.515 41.599 0.916 1 1 605 . 10 1 1 A 54 54 ASP N N 52 125.772 126.657 -0.885 1 1 606 . 10 1 1 A 55 55 PRO HA H 53 4.025 4.180 -0.155 1 1 613 . 10 1 1 A 55 55 PRO C C 53 176.126 177.401 -1.275 1 1 614 . 10 1 1 A 55 55 PRO CA C 53 63.993 64.098 -0.105 1 1 615 . 10 1 1 A 55 55 PRO CB C 53 33.002 31.648 1.354 1 1 618 . 10 1 1 A 56 56 LYS H H 54 7.931 7.667 0.264 1 1 619 . 10 1 1 A 56 56 LYS HA H 54 3.988 4.213 -0.225 1 1 628 . 10 1 1 A 56 56 LYS C C 54 177.931 176.514 1.417 1 1 629 . 10 1 1 A 56 56 LYS CA C 54 56.770 56.550 0.220 1 1 630 . 10 1 1 A 56 56 LYS CB C 54 32.023 32.788 -0.765 1 1 634 . 10 1 1 A 56 56 LYS N N 54 112.924 116.023 -3.099 1 1 635 . 10 1 1 A 57 57 LEU H H 55 7.162 7.197 -0.035 1 1 636 . 10 1 1 A 57 57 LEU HA H 55 4.059 4.015 0.044 1 1 646 . 10 1 1 A 57 57 LEU C C 55 179.416 177.807 1.609 1 1 647 . 10 1 1 A 57 57 LEU CA C 55 56.088 55.261 0.827 1 1 648 . 10 1 1 A 57 57 LEU CB C 55 42.191 42.071 0.120 1 1 652 . 10 1 1 A 57 57 LEU N N 55 120.593 121.039 -0.446 1 1 653 . 10 1 1 A 58 58 LYS H H 56 8.720 8.932 -0.212 1 1 654 . 10 1 1 A 58 58 LYS HA H 56 3.920 3.861 0.059 1 1 663 . 10 1 1 A 58 58 LYS C C 56 178.937 178.184 0.753 1 1 664 . 10 1 1 A 58 58 LYS CA C 56 60.301 59.807 0.494 1 1 665 . 10 1 1 A 58 58 LYS CB C 56 32.121 32.300 -0.179 1 1 669 . 10 1 1 A 58 58 LYS N N 56 125.479 125.096 0.383 1 1 670 . 10 1 1 A 59 59 TRP H H 57 7.811 8.296 -0.485 1 1 671 . 10 1 1 A 59 59 TRP HA H 57 4.664 4.527 0.137 1 1 680 . 10 1 1 A 59 59 TRP C C 57 178.868 179.318 -0.450 1 1 681 . 10 1 1 A 59 59 TRP CA C 57 58.897 59.862 -0.965 1 1 682 . 10 1 1 A 59 59 TRP CB C 57 28.036 28.074 -0.038 1 1 688 . 10 1 1 A 59 59 TRP N N 57 113.433 119.085 -5.652 1 1 690 . 10 1 1 A 60 60 ILE H H 58 6.467 7.326 -0.859 1 1 691 . 10 1 1 A 60 60 ILE HA H 58 3.325 3.503 -0.178 1 1 701 . 10 1 1 A 60 60 ILE C C 58 177.726 177.897 -0.171 1 1 702 . 10 1 1 A 60 60 ILE CA C 58 64.314 64.409 -0.095 1 1 703 . 10 1 1 A 60 60 ILE CB C 58 35.897 36.797 -0.900 1 1 707 . 10 1 1 A 60 60 ILE N N 58 124.379 122.443 1.936 1 1 708 . 10 1 1 A 61 61 GLN H H 59 7.624 8.652 -1.028 1 1 709 . 10 1 1 A 61 61 GLN HA H 59 3.755 3.896 -0.141 1 1 716 . 10 1 1 A 61 61 GLN C C 59 178.434 178.598 -0.164 1 1 717 . 10 1 1 A 61 61 GLN CA C 59 59.379 59.557 -0.178 1 1 718 . 10 1 1 A 61 61 GLN CB C 59 28.602 28.108 0.494 1 1 720 . 10 1 1 A 61 61 GLN N N 59 119.070 118.137 0.933 1 1 722 . 10 1 1 A 62 62 GLU H H 60 8.064 8.394 -0.330 1 1 723 . 10 1 1 A 62 62 GLU HA H 60 4.087 4.034 0.053 1 1 728 . 10 1 1 A 62 62 GLU C C 60 179.051 178.527 0.524 1 1 729 . 10 1 1 A 62 62 GLU CA C 60 59.659 59.525 0.134 1 1 730 . 10 1 1 A 62 62 GLU CB C 60 30.457 29.488 0.969 1 1 732 . 10 1 1 A 62 62 GLU N N 60 117.166 120.133 -2.967 1 1 733 . 10 1 1 A 63 63 TYR H H 61 7.924 8.023 -0.099 1 1 734 . 10 1 1 A 63 63 TYR HA H 61 4.254 4.191 0.063 1 1 741 . 10 1 1 A 63 63 TYR C C 61 178.617 177.469 1.148 1 1 742 . 10 1 1 A 63 63 TYR CA C 61 61.184 61.566 -0.382 1 1 743 . 10 1 1 A 63 63 TYR CB C 61 39.461 39.033 0.428 1 1 746 . 10 1 1 A 63 63 TYR N N 61 121.271 120.753 0.518 1 1 747 . 10 1 1 A 64 64 LEU H H 62 8.260 8.792 -0.532 1 1 748 . 10 1 1 A 64 64 LEU HA H 62 3.966 3.959 0.007 1 1 758 . 10 1 1 A 64 64 LEU C C 62 179.553 179.132 0.421 1 1 759 . 10 1 1 A 64 64 LEU CA C 62 58.014 58.147 -0.133 1 1 760 . 10 1 1 A 64 64 LEU CB C 62 42.397 41.267 1.130 1 1 764 . 10 1 1 A 64 64 LEU N N 62 116.299 120.076 -3.777 1 1 765 . 10 1 1 A 65 65 GLU H H 63 8.454 8.734 -0.280 1 1 766 . 10 1 1 A 65 65 GLU HA H 63 3.854 3.933 -0.079 1 1 771 . 10 1 1 A 65 65 GLU C C 63 179.279 178.873 0.406 1 1 772 . 10 1 1 A 65 65 GLU CA C 63 60.301 59.994 0.307 1 1 773 . 10 1 1 A 65 65 GLU CB C 63 29.870 29.329 0.541 1 1 775 . 10 1 1 A 65 65 GLU N N 63 118.616 117.485 1.131 1 1 776 . 10 1 1 A 66 66 LYS H H 64 7.575 8.248 -0.673 1 1 777 . 10 1 1 A 66 66 LYS HA H 64 4.225 4.054 0.171 1 1 786 . 10 1 1 A 66 66 LYS C C 64 178.457 178.632 -0.175 1 1 787 . 10 1 1 A 66 66 LYS CA C 64 58.496 59.190 -0.694 1 1 788 . 10 1 1 A 66 66 LYS CB C 64 32.400 31.857 0.543 1 1 792 . 10 1 1 A 66 66 LYS N N 64 117.166 118.225 -1.059 1 1 793 . 10 1 1 A 67 67 CYS H H 65 7.918 7.745 0.173 1 1 794 . 10 1 1 A 67 67 CYS HA H 65 4.526 4.196 0.330 1 1 797 . 10 1 1 A 67 67 CYS C C 65 174.893 177.556 -2.663 1 1 798 . 10 1 1 A 67 67 CYS CA C 65 56.329 61.947 -5.618 1 1 799 . 10 1 1 A 67 67 CYS CB C 65 45.235 27.005 18.230 1 1 800 . 10 1 1 A 67 67 CYS N N 65 115.330 118.632 -3.302 1 1 801 . 10 1 1 A 68 68 LEU H H 66 7.559 8.447 -0.888 1 1 802 . 10 1 1 A 68 68 LEU HA H 66 4.491 4.027 0.464 1 1 812 . 10 1 1 A 68 68 LEU C C 66 176.812 178.390 -1.578 1 1 813 . 10 1 1 A 68 68 LEU CA C 66 55.366 58.553 -3.187 1 1 814 . 10 1 1 A 68 68 LEU CB C 66 43.278 41.936 1.342 1 1 818 . 10 1 1 A 68 68 LEU N N 66 120.930 122.393 -1.463 1 1 819 . 10 1 1 A 69 69 ASN H H 67 8.265 7.967 0.298 1 1 820 . 10 1 1 A 69 69 ASN HA H 67 4.669 4.589 0.080 1 1 825 . 10 1 1 A 69 69 ASN CA C 67 53.761 55.239 -1.478 1 1 826 . 10 1 1 A 69 69 ASN CB C 67 39.069 38.874 0.195 1 1 827 . 10 1 1 A 69 69 ASN N N 67 120.279 117.007 3.272 1 1 852 . 10 2 2 B 4 4 GLU H H 102 8.342 7.870 0.472 1 1 853 . 10 2 2 B 4 4 GLU HA H 102 4.282 4.226 0.056 1 1 858 . 10 2 2 B 4 4 GLU C C 102 177.132 177.285 -0.153 1 1 859 . 10 2 2 B 4 4 GLU CA C 102 57.410 58.179 -0.769 1 1 861 . 10 2 2 B 4 4 GLU N N 102 121.884 119.042 2.842 1 1 862 . 10 2 2 B 5 5 GLY H H 103 8.331 8.950 -0.619 1 1 863 . 10 2 2 B 5 5 GLY HA2 H 103 3.960 3.982 -0.022 1 1 864 . 10 2 2 B 5 5 GLY HA3 H 103 3.960 3.983 -0.023 1 1 865 . 10 2 2 B 5 5 GLY C C 103 174.207 174.293 -0.086 1 1 866 . 10 2 2 B 5 5 GLY CA C 103 45.731 44.958 0.773 1 1 867 . 10 2 2 B 5 5 GLY N N 103 110.055 112.475 -2.420 1 1 868 . 10 2 2 B 6 6 ILE H H 104 7.831 7.285 0.546 1 1 869 . 10 2 2 B 6 6 ILE HA H 104 4.286 4.028 0.258 1 1 879 . 10 2 2 B 6 6 ILE C C 104 176.401 175.082 1.319 1 1 880 . 10 2 2 B 6 6 ILE CA C 104 61.558 61.227 0.331 1 1 881 . 10 2 2 B 6 6 ILE CB C 104 39.436 37.148 2.288 1 1 885 . 10 2 2 B 6 6 ILE N N 104 119.606 122.635 -3.029 1 1 886 . 10 2 2 B 7 7 SER H H 105 8.350 9.177 -0.827 1 1 887 . 10 2 2 B 7 7 SER HA H 105 4.545 4.485 0.060 1 1 890 . 10 2 2 B 7 7 SER C C 105 174.550 175.450 -0.900 1 1 891 . 10 2 2 B 7 7 SER CA C 105 58.667 58.585 0.082 1 1 892 . 10 2 2 B 7 7 SER CB C 105 64.072 62.938 1.134 1 1 893 . 10 2 2 B 7 7 SER N N 105 119.853 125.813 -5.960 1 1 894 . 10 2 2 B 8 8 ILE H H 106 7.921 8.460 -0.539 1 1 895 . 10 2 2 B 8 8 ILE HA H 106 4.205 4.072 0.133 1 1 905 . 10 2 2 B 8 8 ILE C C 106 175.921 175.836 0.085 1 1 906 . 10 2 2 B 8 8 ILE CA C 106 61.935 63.903 -1.968 1 1 907 . 10 2 2 B 8 8 ILE CB C 106 39.436 37.172 2.264 1 1 911 . 10 2 2 B 8 8 ILE N N 106 121.730 123.908 -2.178 1 1 912 . 10 2 2 B 9 9 TYR H H 107 8.166 7.404 0.762 1 1 913 . 10 2 2 B 9 9 TYR HA H 107 4.713 5.012 -0.299 1 1 920 . 10 2 2 B 9 9 TYR C C 107 176.058 173.432 2.626 1 1 921 . 10 2 2 B 9 9 TYR CA C 107 58.165 56.502 1.663 1 1 922 . 10 2 2 B 9 9 TYR CB C 107 39.436 40.245 -0.809 1 1 925 . 10 2 2 B 9 9 TYR N N 107 123.598 119.001 4.597 1 1 926 . 10 2 2 B 10 10 THR H H 108 7.961 8.922 -0.961 1 1 927 . 10 2 2 B 10 10 THR HA H 108 4.433 5.233 -0.800 1 1 932 . 10 2 2 B 10 10 THR C C 108 174.459 173.803 0.656 1 1 933 . 10 2 2 B 10 10 THR CA C 108 62.061 60.109 1.952 1 1 934 . 10 2 2 B 10 10 THR CB C 108 70.608 72.603 -1.995 1 1 936 . 10 2 2 B 10 10 THR N N 108 115.642 112.619 3.023 1 1 937 . 10 2 2 B 11 11 SER H H 109 8.211 9.408 -1.197 1 1 938 . 10 2 2 B 11 11 SER HA H 109 4.507 4.434 0.073 1 1 941 . 10 2 2 B 11 11 SER C C 109 174.504 174.117 0.387 1 1 942 . 10 2 2 B 11 11 SER CA C 109 58.919 59.108 -0.189 1 1 943 . 10 2 2 B 11 11 SER CB C 109 64.198 63.085 1.113 1 1 944 . 10 2 2 B 11 11 SER N N 109 117.260 119.134 -1.874 1 1 945 . 10 2 2 B 12 12 ASP H H 110 8.351 7.766 0.585 1 1 946 . 10 2 2 B 12 12 ASP HA H 110 4.631 4.732 -0.101 1 1 949 . 10 2 2 B 12 12 ASP C C 110 176.058 176.655 -0.597 1 1 950 . 10 2 2 B 12 12 ASP CA C 110 55.022 55.218 -0.196 1 1 951 . 10 2 2 B 12 12 ASP CB C 110 41.825 43.442 -1.617 1 1 952 . 10 2 2 B 12 12 ASP N N 110 122.020 116.214 5.806 1 1 953 . 10 2 2 B 13 13 ASN H H 111 8.230 8.697 -0.467 1 1 954 . 10 2 2 B 13 13 ASN HA H 111 4.726 5.083 -0.357 1 1 957 . 10 2 2 B 13 13 ASN C C 111 175.030 175.765 -0.735 1 1 958 . 10 2 2 B 13 13 ASN CA C 111 53.765 52.933 0.832 1 1 959 . 10 2 2 B 13 13 ASN CB C 111 39.562 39.831 -0.269 1 1 960 . 10 2 2 B 13 13 ASN N N 111 118.317 115.724 2.593 1 1 961 . 10 2 2 B 14 14 TYR H H 112 8.101 7.917 0.184 1 1 962 . 10 2 2 B 14 14 TYR HA H 112 4.638 4.440 0.198 1 1 969 . 10 2 2 B 14 14 TYR C C 112 176.081 175.781 0.300 1 1 970 . 10 2 2 B 14 14 TYR CA C 112 58.793 59.945 -1.152 1 1 971 . 10 2 2 B 14 14 TYR CB C 112 39.436 39.611 -0.175 1 1 974 . 10 2 2 B 14 14 TYR N N 112 120.850 120.548 0.302 1 1 975 . 10 2 2 B 15 15 THR H H 113 7.879 8.092 -0.213 1 1 976 . 10 2 2 B 15 15 THR HA H 113 4.284 4.020 0.264 1 1 981 . 10 2 2 B 15 15 THR C C 113 174.413 174.896 -0.483 1 1 982 . 10 2 2 B 15 15 THR CA C 113 62.187 62.777 -0.590 1 1 983 . 10 2 2 B 15 15 THR CB C 113 70.341 66.350 3.991 1 1 985 . 10 2 2 B 15 15 THR N N 113 116.126 113.932 2.194 1 1 986 . 10 2 2 B 16 16 GLU H H 114 8.253 8.331 -0.078 1 1 987 . 10 2 2 B 16 16 GLU HA H 114 4.256 4.446 -0.190 1 1 992 . 10 2 2 B 16 16 GLU C C 114 176.766 176.896 -0.130 1 1 993 . 10 2 2 B 16 16 GLU CA C 114 57.410 56.888 0.522 1 1 994 . 10 2 2 B 16 16 GLU CB C 114 30.620 28.972 1.648 1 1 996 . 10 2 2 B 16 16 GLU N N 114 123.052 121.640 1.412 1 1 997 . 10 2 2 B 17 17 GLU H H 115 8.331 8.290 0.041 1 1 998 . 10 2 2 B 17 17 GLU HA H 115 4.292 4.528 -0.236 1 1 1003 . 10 2 2 B 17 17 GLU C C 115 176.880 175.756 1.124 1 1 1004 . 10 2 2 B 17 17 GLU CA C 115 57.410 57.075 0.335 1 1 1005 . 10 2 2 B 17 17 GLU CB C 115 30.525 31.501 -0.976 1 1 1007 . 10 2 2 B 17 17 GLU N N 115 121.688 119.292 2.396 1 1 1008 . 10 2 2 B 18 18 MET H H 116 8.317 7.198 1.119 1 1 1009 . 10 2 2 B 18 18 MET HA H 116 4.490 4.803 -0.313 1 1 1014 . 10 2 2 B 18 18 MET C C 116 177.086 174.963 2.123 1 1 1015 . 10 2 2 B 18 18 MET CA C 116 56.279 53.785 2.494 1 1 1016 . 10 2 2 B 18 18 MET CB C 116 33.026 35.298 -2.272 1 1 1017 . 10 2 2 B 18 18 MET N N 116 121.270 117.648 3.622 1 1 1018 . 10 2 2 B 19 19 GLY H H 117 8.320 8.384 -0.064 1 1 1019 . 10 2 2 B 19 19 GLY HA2 H 117 4.054 4.165 -0.111 1 1 1020 . 10 2 2 B 19 19 GLY HA3 H 117 4.054 4.220 -0.166 1 1 1021 . 10 2 2 B 19 19 GLY C C 117 174.481 171.814 2.667 1 1 1022 . 10 2 2 B 19 19 GLY CA C 117 45.847 45.886 -0.039 1 1 1023 . 10 2 2 B 19 19 GLY N N 117 110.055 111.317 -1.262 1 1 1024 . 10 2 2 B 20 20 SER H H 118 8.230 8.546 -0.316 1 1 1025 . 10 2 2 B 20 20 SER HA H 118 4.476 4.994 -0.518 1 1 1028 . 10 2 2 B 20 20 SER C C 118 175.327 172.661 2.666 1 1 1029 . 10 2 2 B 20 20 SER CA C 118 58.919 56.623 2.296 1 1 1030 . 10 2 2 B 20 20 SER CB C 118 64.575 65.400 -0.825 1 1 1031 . 10 2 2 B 20 20 SER N N 118 115.664 116.603 -0.939 1 1 1032 . 10 2 2 B 21 21 GLY H H 119 8.371 8.426 -0.055 1 1 1033 . 10 2 2 B 21 21 GLY HA2 H 119 3.951 4.232 -0.281 1 1 1034 . 10 2 2 B 21 21 GLY HA3 H 119 3.951 4.233 -0.282 1 1 1035 . 10 2 2 B 21 21 GLY C C 119 174.002 173.271 0.731 1 1 1036 . 10 2 2 B 21 21 GLY CA C 119 45.721 45.484 0.237 1 1 1037 . 10 2 2 B 21 21 GLY N N 119 110.872 109.770 1.102 1 1 1068 . 10 2 2 B 25 25 SER H H 123 8.155 8.093 0.062 1 1 1069 . 10 2 2 B 25 25 SER HA H 123 4.404 4.553 -0.149 1 1 1072 . 10 2 2 B 25 25 SER C C 123 175.075 173.584 1.491 1 1 1073 . 10 2 2 B 25 25 SER CA C 123 59.347 57.624 1.723 1 1 1074 . 10 2 2 B 25 25 SER CB C 123 63.879 62.430 1.449 1 1 1075 . 10 2 2 B 25 25 SER N N 123 116.126 119.516 -3.390 1 1 1076 . 10 2 2 B 26 26 MET H H 124 8.221 8.894 -0.673 1 1 1077 . 10 2 2 B 26 26 MET HA H 124 4.482 4.774 -0.292 1 1 1082 . 10 2 2 B 26 26 MET C C 124 176.355 174.659 1.696 1 1 1083 . 10 2 2 B 26 26 MET CA C 124 56.279 53.361 2.918 1 1 1084 . 10 2 2 B 26 26 MET CB C 124 32.900 34.693 -1.793 1 1 1086 . 10 2 2 B 26 26 MET N N 124 121.210 128.040 -6.830 1 1 1087 . 10 2 2 B 27 27 LYS H H 125 8.036 8.607 -0.571 1 1 1088 . 10 2 2 B 27 27 LYS HA H 125 4.333 5.158 -0.825 1 1 1097 . 10 2 2 B 27 27 LYS C C 125 176.355 174.927 1.428 1 1 1098 . 10 2 2 B 27 27 LYS CA C 125 56.656 54.662 1.994 1 1 1099 . 10 2 2 B 27 27 LYS CB C 125 33.529 36.038 -2.509 1 1 1103 . 10 2 2 B 27 27 LYS N N 125 121.457 118.429 3.028 1 1 1104 . 10 2 2 B 28 28 GLU H H 126 8.205 8.882 -0.677 1 1 1105 . 10 2 2 B 28 28 GLU N N 126 122.740 118.276 4.464 1 1 1106 . 10 2 2 B 29 29 PRO HA H 127 4.377 4.102 0.275 1 1 1113 . 10 2 2 B 29 29 PRO C C 127 176.812 176.925 -0.113 1 1 1114 . 10 2 2 B 29 29 PRO CA C 127 63.821 65.559 -1.738 1 1 1115 . 10 2 2 B 29 29 PRO CB C 127 32.272 31.625 0.647 1 1 1118 . 10 2 2 B 30 30 ALA H H 128 8.273 7.806 0.467 1 1 1119 . 10 2 2 B 30 30 ALA HA H 128 4.287 4.077 0.210 1 1 1123 . 10 2 2 B 30 30 ALA C C 128 177.589 177.104 0.485 1 1 1124 . 10 2 2 B 30 30 ALA CA C 128 52.873 53.336 -0.463 1 1 1125 . 10 2 2 B 30 30 ALA CB C 128 19.703 17.808 1.895 1 1 1126 . 10 2 2 B 30 30 ALA N N 128 123.577 118.427 5.150 1 1 1127 . 10 2 2 B 31 31 PHE H H 129 8.019 7.812 0.207 1 1 1128 . 10 2 2 B 31 31 PHE HA H 129 4.621 4.252 0.369 1 1 1135 . 10 2 2 B 31 31 PHE C C 129 175.624 176.598 -0.974 1 1 1136 . 10 2 2 B 31 31 PHE CA C 129 58.039 61.051 -3.012 1 1 1137 . 10 2 2 B 31 31 PHE CB C 129 40.055 39.083 0.972 1 1 1140 . 10 2 2 B 31 31 PHE N N 129 118.994 116.450 2.544 1 1 1141 . 10 2 2 B 32 32 ARG H H 130 8.042 7.896 0.146 1 1 1142 . 10 2 2 B 32 32 ARG HA H 130 4.332 4.368 -0.036 1 1 1149 . 10 2 2 B 32 32 ARG C C 130 175.875 175.550 0.325 1 1 1150 . 10 2 2 B 32 32 ARG CA C 130 56.154 55.172 0.982 1 1 1151 . 10 2 2 B 32 32 ARG CB C 130 31.643 30.354 1.289 1 1 1154 . 10 2 2 B 32 32 ARG N N 130 122.929 119.373 3.556 1 1 1155 . 10 2 2 B 33 33 GLU H H 131 8.389 8.319 0.070 1 1 1156 . 10 2 2 B 33 33 GLU HA H 131 4.276 4.199 0.077 1 1 1161 . 10 2 2 B 33 33 GLU C C 131 176.766 176.204 0.562 1 1 1162 . 10 2 2 B 33 33 GLU CA C 131 57.285 57.286 -0.001 1 1 1163 . 10 2 2 B 33 33 GLU CB C 131 30.512 28.600 1.912 1 1 1165 . 10 2 2 B 33 33 GLU N N 131 122.719 125.566 -2.847 1 1 1166 . 10 2 2 B 34 34 GLU H H 132 8.502 8.900 -0.398 1 1 1167 . 10 2 2 B 34 34 GLU HA H 132 4.275 4.552 -0.277 1 1 1172 . 10 2 2 B 34 34 GLU C C 132 176.560 176.206 0.354 1 1 1173 . 10 2 2 B 34 34 GLU CA C 132 57.400 56.144 1.256 1 1 1174 . 10 2 2 B 34 34 GLU CB C 132 30.526 31.387 -0.861 1 1 1176 . 10 2 2 B 34 34 GLU N N 132 122.122 124.027 -1.905 1 1 1177 . 10 2 2 B 35 35 ASN H H 133 8.362 7.758 0.604 1 1 1178 . 10 2 2 B 35 35 ASN HA H 133 4.693 4.865 -0.172 1 1 1181 . 10 2 2 B 35 35 ASN C C 133 175.258 175.145 0.113 1 1 1182 . 10 2 2 B 35 35 ASN CA C 133 53.765 52.371 1.394 1 1 1183 . 10 2 2 B 35 35 ASN CB C 133 39.562 36.791 2.771 1 1 1184 . 10 2 2 B 35 35 ASN N N 133 119.552 119.515 0.037 1 1 1185 . 10 2 2 B 36 36 ALA H H 134 8.155 8.055 0.100 1 1 1186 . 10 2 2 B 36 36 ALA HA H 134 4.289 4.049 0.240 1 1 1190 . 10 2 2 B 36 36 ALA C C 134 177.520 177.753 -0.233 1 1 1191 . 10 2 2 B 36 36 ALA CA C 134 52.873 50.606 2.267 1 1 1192 . 10 2 2 B 36 36 ALA CB C 134 19.703 19.744 -0.041 1 1 1193 . 10 2 2 B 36 36 ALA N N 134 124.376 126.582 -2.206 1 1 1194 . 10 2 2 B 37 37 ASN H H 135 8.210 7.645 0.565 1 1 1195 . 10 2 2 B 37 37 ASN HA H 135 4.694 4.586 0.108 1 1 1198 . 10 2 2 B 37 37 ASN C C 135 175.144 175.236 -0.092 1 1 1199 . 10 2 2 B 37 37 ASN CA C 135 53.640 53.968 -0.328 1 1 1200 . 10 2 2 B 37 37 ASN CB C 135 39.311 39.187 0.124 1 1 1201 . 10 2 2 B 37 37 ASN N N 135 117.103 115.880 1.223 1 1 1202 . 10 2 2 B 38 38 PHE H H 136 7.997 7.638 0.359 1 1 1203 . 10 2 2 B 38 38 PHE HA H 136 4.659 4.142 0.517 1 1 1210 . 10 2 2 B 38 38 PHE C C 136 175.601 174.244 1.357 1 1 1211 . 10 2 2 B 38 38 PHE CA C 136 58.165 58.248 -0.083 1 1 1212 . 10 2 2 B 38 38 PHE CB C 136 39.939 37.218 2.721 1 1 1215 . 10 2 2 B 38 38 PHE N N 136 120.229 115.302 4.927 1 1 1216 . 10 2 2 B 39 39 ASN H H 137 8.272 8.300 -0.028 1 1 1217 . 10 2 2 B 39 39 ASN HA H 137 4.733 5.560 -0.827 1 1 1220 . 10 2 2 B 39 39 ASN C C 137 174.047 173.741 0.306 1 1 1221 . 10 2 2 B 39 39 ASN CA C 137 53.891 51.571 2.320 1 1 1222 . 10 2 2 B 39 39 ASN CB C 137 39.688 40.651 -0.963 1 1 1223 . 10 2 2 B 39 39 ASN N N 137 120.594 118.789 1.805 1 1 3 . 11 1 1 A 4 4 PRO HA H 2 4.509 4.849 -0.340 1 1 10 . 11 1 1 A 4 4 PRO C C 2 177.132 175.742 1.390 1 1 11 . 11 1 1 A 4 4 PRO CA C 2 63.529 62.407 1.122 1 1 12 . 11 1 1 A 4 4 PRO CB C 2 32.476 29.883 2.593 1 1 15 . 11 1 1 A 5 5 VAL H H 3 8.201 8.256 -0.055 1 1 16 . 11 1 1 A 5 5 VAL HA H 3 4.152 4.463 -0.311 1 1 24 . 11 1 1 A 5 5 VAL C C 3 176.423 175.293 1.130 1 1 25 . 11 1 1 A 5 5 VAL CA C 3 62.873 61.626 1.247 1 1 26 . 11 1 1 A 5 5 VAL CB C 3 33.455 32.530 0.925 1 1 28 . 11 1 1 A 5 5 VAL N N 3 120.488 124.737 -4.249 1 1 29 . 11 1 1 A 6 6 SER H H 4 8.276 9.105 -0.829 1 1 30 . 11 1 1 A 6 6 SER HA H 4 4.494 4.684 -0.190 1 1 33 . 11 1 1 A 6 6 SER C C 4 174.687 173.747 0.940 1 1 34 . 11 1 1 A 6 6 SER CA C 4 58.375 58.239 0.136 1 1 35 . 11 1 1 A 6 6 SER CB C 4 64.295 64.583 -0.288 1 1 36 . 11 1 1 A 6 6 SER N N 4 119.000 123.858 -4.858 1 1 37 . 11 1 1 A 7 7 LEU H H 5 8.238 8.788 -0.550 1 1 38 . 11 1 1 A 7 7 LEU HA H 5 4.406 4.349 0.057 1 1 44 . 11 1 1 A 7 7 LEU C C 5 177.406 177.133 0.273 1 1 45 . 11 1 1 A 7 7 LEU CA C 5 55.766 56.183 -0.417 1 1 46 . 11 1 1 A 7 7 LEU CB C 5 43.132 42.828 0.304 1 1 48 . 11 1 1 A 7 7 LEU N N 5 124.704 127.123 -2.419 1 1 49 . 11 1 1 A 8 8 SER H H 6 8.148 7.795 0.353 1 1 50 . 11 1 1 A 8 8 SER HA H 6 4.438 4.464 -0.026 1 1 53 . 11 1 1 A 8 8 SER C C 6 174.321 174.172 0.149 1 1 54 . 11 1 1 A 8 8 SER CA C 6 58.718 58.583 0.135 1 1 55 . 11 1 1 A 8 8 SER CB C 6 64.295 63.463 0.832 1 1 56 . 11 1 1 A 8 8 SER N N 6 115.960 112.063 3.897 1 1 57 . 11 1 1 A 9 9 TYR H H 7 7.954 8.408 -0.454 1 1 58 . 11 1 1 A 9 9 TYR HA H 7 4.585 4.007 0.578 1 1 65 . 11 1 1 A 9 9 TYR C C 7 175.532 174.472 1.060 1 1 66 . 11 1 1 A 9 9 TYR CA C 7 58.335 58.215 0.120 1 1 67 . 11 1 1 A 9 9 TYR CB C 7 39.474 35.987 3.487 1 1 70 . 11 1 1 A 9 9 TYR N N 7 121.884 118.347 3.537 1 1 71 . 11 1 1 A 10 10 ARG H H 8 8.117 7.576 0.541 1 1 72 . 11 1 1 A 10 10 ARG HA H 8 4.349 4.872 -0.523 1 1 79 . 11 1 1 A 10 10 ARG C C 8 175.898 174.786 1.112 1 1 80 . 11 1 1 A 10 10 ARG CA C 8 56.048 54.106 1.942 1 1 81 . 11 1 1 A 10 10 ARG CB C 8 31.492 33.200 -1.708 1 1 84 . 11 1 1 A 10 10 ARG N N 8 121.977 116.856 5.121 1 1 85 . 11 1 1 A 11 11 CYS H H 9 8.127 8.707 -0.580 1 1 86 . 11 1 1 A 11 11 CYS HA H 9 4.984 5.475 -0.491 1 1 89 . 11 1 1 A 11 11 CYS C C 9 177.771 173.461 4.310 1 1 90 . 11 1 1 A 11 11 CYS CA C 9 53.192 54.106 -0.914 1 1 91 . 11 1 1 A 11 11 CYS CB C 9 40.897 44.973 -4.076 1 1 92 . 11 1 1 A 11 11 CYS N N 9 121.209 120.775 0.434 1 1 93 . 11 1 1 A 12 12 PRO HA H 10 4.321 4.363 -0.042 1 1 100 . 11 1 1 A 12 12 PRO CA C 10 65.478 64.318 1.160 1 1 101 . 11 1 1 A 12 12 PRO CB C 10 32.904 31.975 0.929 1 1 104 . 11 1 1 A 13 13 CYS H H 11 8.633 7.564 1.069 1 1 105 . 11 1 1 A 13 13 CYS C C 11 174.618 173.751 0.867 1 1 106 . 11 1 1 A 13 13 CYS N N 11 114.595 114.786 -0.191 1 1 107 . 11 1 1 A 14 14 ARG H H 12 8.236 8.767 -0.531 1 1 108 . 11 1 1 A 14 14 ARG HA H 12 4.067 4.066 0.001 1 1 115 . 11 1 1 A 14 14 ARG C C 12 175.098 175.331 -0.233 1 1 116 . 11 1 1 A 14 14 ARG CA C 12 57.370 57.830 -0.460 1 1 117 . 11 1 1 A 14 14 ARG CB C 12 31.631 30.795 0.836 1 1 120 . 11 1 1 A 14 14 ARG N N 12 122.779 126.490 -3.711 1 1 121 . 11 1 1 A 15 15 PHE H H 13 7.615 7.655 -0.040 1 1 122 . 11 1 1 A 15 15 PHE HA H 13 4.510 4.968 -0.458 1 1 129 . 11 1 1 A 15 15 PHE C C 13 174.162 174.711 -0.549 1 1 130 . 11 1 1 A 15 15 PHE CA C 13 56.289 56.243 0.046 1 1 131 . 11 1 1 A 15 15 PHE CB C 13 41.320 42.361 -1.041 1 1 134 . 11 1 1 A 15 15 PHE N N 13 116.797 115.967 0.830 1 1 135 . 11 1 1 A 16 16 PHE H H 14 8.125 8.468 -0.343 1 1 136 . 11 1 1 A 16 16 PHE HA H 14 4.767 5.799 -1.032 1 1 143 . 11 1 1 A 16 16 PHE C C 14 175.441 174.072 1.369 1 1 144 . 11 1 1 A 16 16 PHE CA C 14 55.767 55.356 0.411 1 1 145 . 11 1 1 A 16 16 PHE CB C 14 41.320 42.476 -1.156 1 1 148 . 11 1 1 A 16 16 PHE N N 14 118.930 118.461 0.469 1 1 149 . 11 1 1 A 17 17 GLU H H 15 8.836 9.301 -0.465 1 1 150 . 11 1 1 A 17 17 GLU HA H 15 4.579 4.620 -0.041 1 1 155 . 11 1 1 A 17 17 GLU C C 15 176.857 176.909 -0.052 1 1 156 . 11 1 1 A 17 17 GLU CA C 15 56.289 56.940 -0.651 1 1 157 . 11 1 1 A 17 17 GLU CB C 15 31.173 30.290 0.883 1 1 159 . 11 1 1 A 17 17 GLU N N 15 122.929 122.553 0.376 1 1 160 . 11 1 1 A 18 18 SER H H 16 8.751 8.837 -0.086 1 1 161 . 11 1 1 A 18 18 SER HA H 16 4.762 4.666 0.096 1 1 164 . 11 1 1 A 18 18 SER C C 16 177.497 175.063 2.434 1 1 165 . 11 1 1 A 18 18 SER CA C 16 59.328 58.789 0.539 1 1 166 . 11 1 1 A 18 18 SER CB C 16 64.515 64.528 -0.013 1 1 167 . 11 1 1 A 18 18 SER N N 16 118.860 116.694 2.166 1 1 168 . 11 1 1 A 19 19 HIS H H 17 8.761 8.086 0.675 1 1 169 . 11 1 1 A 19 19 HIS HA H 17 4.859 4.735 0.124 1 1 174 . 11 1 1 A 19 19 HIS C C 17 174.618 174.120 0.498 1 1 175 . 11 1 1 A 19 19 HIS CA C 17 56.449 54.791 1.658 1 1 176 . 11 1 1 A 19 19 HIS CB C 17 29.870 27.735 2.135 1 1 179 . 11 1 1 A 19 19 HIS N N 17 120.535 120.126 0.409 1 1 180 . 11 1 1 A 20 20 VAL H H 18 7.157 8.341 -1.184 1 1 181 . 11 1 1 A 20 20 VAL HA H 18 4.181 4.615 -0.434 1 1 189 . 11 1 1 A 20 20 VAL C C 18 174.436 174.311 0.125 1 1 190 . 11 1 1 A 20 20 VAL CA C 18 62.167 60.467 1.700 1 1 191 . 11 1 1 A 20 20 VAL CB C 18 34.426 36.114 -1.688 1 1 193 . 11 1 1 A 20 20 VAL N N 18 120.872 123.312 -2.440 1 1 194 . 11 1 1 A 21 21 ALA H H 19 8.521 8.528 -0.007 1 1 195 . 11 1 1 A 21 21 ALA HA H 19 4.372 4.385 -0.013 1 1 199 . 11 1 1 A 21 21 ALA C C 19 177.657 177.591 0.066 1 1 200 . 11 1 1 A 21 21 ALA CA C 19 51.193 50.670 0.523 1 1 201 . 11 1 1 A 21 21 ALA CB C 19 19.790 20.147 -0.357 1 1 202 . 11 1 1 A 21 21 ALA N N 19 131.339 127.664 3.675 1 1 203 . 11 1 1 A 22 22 ARG H H 20 7.790 7.901 -0.111 1 1 204 . 11 1 1 A 22 22 ARG HA H 20 2.445 3.076 -0.631 1 1 211 . 11 1 1 A 22 22 ARG C C 20 178.365 177.488 0.877 1 1 212 . 11 1 1 A 22 22 ARG CA C 20 59.379 58.302 1.077 1 1 213 . 11 1 1 A 22 22 ARG CB C 20 29.572 29.087 0.485 1 1 216 . 11 1 1 A 22 22 ARG N N 20 124.365 122.766 1.599 1 1 217 . 11 1 1 A 23 23 ALA H H 21 8.120 7.710 0.410 1 1 218 . 11 1 1 A 23 23 ALA HA H 21 4.060 4.054 0.006 1 1 222 . 11 1 1 A 23 23 ALA C C 21 178.000 178.037 -0.037 1 1 223 . 11 1 1 A 23 23 ALA CA C 21 54.100 53.857 0.243 1 1 224 . 11 1 1 A 23 23 ALA CB C 21 18.713 18.310 0.403 1 1 225 . 11 1 1 A 23 23 ALA N N 21 117.156 121.227 -4.071 1 1 226 . 11 1 1 A 24 24 ASN H H 22 7.717 7.586 0.131 1 1 227 . 11 1 1 A 24 24 ASN HA H 22 5.010 4.740 0.270 1 1 232 . 11 1 1 A 24 24 ASN C C 22 174.938 174.748 0.190 1 1 233 . 11 1 1 A 24 24 ASN CA C 22 52.869 52.782 0.087 1 1 234 . 11 1 1 A 24 24 ASN CB C 22 40.573 38.871 1.702 1 1 235 . 11 1 1 A 24 24 ASN N N 22 112.819 115.177 -2.358 1 1 237 . 11 1 1 A 25 25 VAL H H 23 7.489 7.802 -0.313 1 1 238 . 11 1 1 A 25 25 VAL HA H 23 4.888 4.319 0.569 1 1 246 . 11 1 1 A 25 25 VAL C C 23 175.829 175.503 0.326 1 1 247 . 11 1 1 A 25 25 VAL CA C 23 59.870 60.095 -0.225 1 1 248 . 11 1 1 A 25 25 VAL CB C 23 35.396 34.018 1.378 1 1 251 . 11 1 1 A 25 25 VAL N N 23 119.721 117.247 2.474 1 1 252 . 11 1 1 A 26 26 LYS H H 24 9.479 9.495 -0.016 1 1 253 . 11 1 1 A 26 26 LYS HA H 24 4.353 4.326 0.027 1 1 262 . 11 1 1 A 26 26 LYS C C 24 176.606 176.741 -0.135 1 1 263 . 11 1 1 A 26 26 LYS CA C 24 58.977 57.641 1.336 1 1 264 . 11 1 1 A 26 26 LYS CB C 24 34.567 33.145 1.422 1 1 268 . 11 1 1 A 26 26 LYS N N 24 127.843 122.154 5.689 1 1 269 . 11 1 1 A 27 27 HIS H H 25 7.237 7.548 -0.311 1 1 270 . 11 1 1 A 27 27 HIS HA H 25 4.979 4.876 0.103 1 1 275 . 11 1 1 A 27 27 HIS C C 25 178.434 172.614 5.820 1 1 276 . 11 1 1 A 27 27 HIS CA C 25 55.406 54.734 0.672 1 1 277 . 11 1 1 A 27 27 HIS CB C 25 32.480 31.556 0.924 1 1 280 . 11 1 1 A 27 27 HIS N N 25 109.556 113.596 -4.040 1 1 281 . 11 1 1 A 28 28 LEU H H 26 8.189 8.804 -0.615 1 1 282 . 11 1 1 A 28 28 LEU HA H 26 5.190 5.239 -0.049 1 1 292 . 11 1 1 A 28 28 LEU C C 26 175.510 175.458 0.052 1 1 293 . 11 1 1 A 28 28 LEU CA C 26 53.480 53.551 -0.071 1 1 294 . 11 1 1 A 28 28 LEU CB C 26 45.235 45.503 -0.268 1 1 298 . 11 1 1 A 28 28 LEU N N 26 117.260 119.595 -2.335 1 1 299 . 11 1 1 A 29 29 LYS H H 27 9.572 8.855 0.717 1 1 300 . 11 1 1 A 29 29 LYS HA H 27 5.372 5.279 0.093 1 1 309 . 11 1 1 A 29 29 LYS C C 27 174.801 174.569 0.232 1 1 310 . 11 1 1 A 29 29 LYS CA C 27 55.165 54.937 0.228 1 1 311 . 11 1 1 A 29 29 LYS CB C 27 35.253 36.198 -0.945 1 1 315 . 11 1 1 A 29 29 LYS N N 27 123.488 122.856 0.632 1 1 316 . 11 1 1 A 30 30 ILE H H 28 9.136 8.936 0.200 1 1 317 . 11 1 1 A 30 30 ILE HA H 28 4.926 5.359 -0.433 1 1 327 . 11 1 1 A 30 30 ILE C C 28 176.949 174.999 1.950 1 1 328 . 11 1 1 A 30 30 ILE CA C 28 60.542 59.812 0.730 1 1 329 . 11 1 1 A 30 30 ILE CB C 28 39.600 40.588 -0.988 1 1 333 . 11 1 1 A 30 30 ILE N N 28 123.846 126.730 -2.884 1 1 334 . 11 1 1 A 31 31 LEU H H 29 8.830 8.735 0.095 1 1 335 . 11 1 1 A 31 31 LEU HA H 29 4.535 5.022 -0.487 1 1 344 . 11 1 1 A 31 31 LEU C C 29 176.012 175.285 0.727 1 1 345 . 11 1 1 A 31 31 LEU CA C 29 55.366 53.633 1.733 1 1 346 . 11 1 1 A 31 31 LEU CB C 29 43.180 46.315 -3.135 1 1 349 . 11 1 1 A 31 31 LEU N N 29 128.649 126.565 2.084 1 1 350 . 11 1 1 A 32 32 ASN H H 30 8.216 8.921 -0.705 1 1 351 . 11 1 1 A 32 32 ASN HA H 30 5.013 5.485 -0.472 1 1 356 . 11 1 1 A 32 32 ASN C C 30 174.664 174.866 -0.202 1 1 357 . 11 1 1 A 32 32 ASN CA C 30 52.517 51.722 0.795 1 1 358 . 11 1 1 A 32 32 ASN CB C 30 38.776 41.960 -3.184 1 1 359 . 11 1 1 A 32 32 ASN N N 30 120.791 121.043 -0.252 1 1 361 . 11 1 1 A 33 33 THR H H 31 7.883 8.979 -1.096 1 1 362 . 11 1 1 A 33 33 THR HA H 31 4.842 4.974 -0.132 1 1 367 . 11 1 1 A 33 33 THR CA C 31 58.369 59.123 -0.754 1 1 368 . 11 1 1 A 33 33 THR CB C 31 70.018 69.383 0.635 1 1 370 . 11 1 1 A 33 33 THR N N 31 115.811 117.153 -1.342 1 1 371 . 11 1 1 A 34 34 PRO HA H 32 4.317 4.487 -0.170 1 1 378 . 11 1 1 A 34 34 PRO CA C 32 65.164 63.784 1.380 1 1 379 . 11 1 1 A 34 34 PRO CB C 32 32.484 31.461 1.023 1 1 382 . 11 1 1 A 35 35 ASN H H 33 8.254 8.710 -0.456 1 1 383 . 11 1 1 A 35 35 ASN HA H 33 4.651 4.856 -0.205 1 1 388 . 11 1 1 A 35 35 ASN C C 33 174.710 173.774 0.936 1 1 389 . 11 1 1 A 35 35 ASN CA C 33 54.532 53.371 1.161 1 1 390 . 11 1 1 A 35 35 ASN CB C 33 39.167 41.473 -2.306 1 1 391 . 11 1 1 A 35 35 ASN N N 33 120.081 116.587 3.494 1 1 393 . 11 1 1 A 36 36 CYS H H 34 7.548 7.501 0.047 1 1 394 . 11 1 1 A 36 36 CYS HA H 34 4.694 4.882 -0.188 1 1 397 . 11 1 1 A 36 36 CYS C C 34 173.865 173.369 0.496 1 1 398 . 11 1 1 A 36 36 CYS CA C 34 55.447 54.654 0.793 1 1 399 . 11 1 1 A 36 36 CYS CB C 34 45.228 46.998 -1.770 1 1 400 . 11 1 1 A 36 36 CYS N N 34 117.076 116.496 0.580 1 1 401 . 11 1 1 A 37 37 ALA H H 35 8.472 8.454 0.018 1 1 402 . 11 1 1 A 37 37 ALA HA H 35 4.236 4.277 -0.041 1 1 406 . 11 1 1 A 37 37 ALA C C 35 176.423 177.222 -0.799 1 1 407 . 11 1 1 A 37 37 ALA CA C 35 53.537 51.933 1.604 1 1 408 . 11 1 1 A 37 37 ALA CB C 35 19.202 20.326 -1.124 1 1 409 . 11 1 1 A 37 37 ALA N N 35 125.153 125.047 0.106 1 1 410 . 11 1 1 A 38 38 CYS H H 36 8.316 8.415 -0.099 1 1 411 . 11 1 1 A 38 38 CYS HA H 36 4.196 4.298 -0.102 1 1 414 . 11 1 1 A 38 38 CYS C C 36 173.705 173.938 -0.233 1 1 415 . 11 1 1 A 38 38 CYS CA C 36 58.616 59.984 -1.368 1 1 416 . 11 1 1 A 38 38 CYS CB C 36 45.705 27.894 17.811 1 1 417 . 11 1 1 A 38 38 CYS N N 36 118.837 118.317 0.520 1 1 418 . 11 1 1 A 39 39 GLN H H 37 8.921 8.449 0.472 1 1 419 . 11 1 1 A 39 39 GLN HA H 37 4.609 4.729 -0.120 1 1 426 . 11 1 1 A 39 39 GLN C C 37 173.636 173.574 0.062 1 1 427 . 11 1 1 A 39 39 GLN CA C 37 54.603 54.901 -0.298 1 1 428 . 11 1 1 A 39 39 GLN CB C 37 31.761 32.309 -0.548 1 1 430 . 11 1 1 A 39 39 GLN N N 37 128.567 125.042 3.525 1 1 432 . 11 1 1 A 40 40 ILE H H 38 8.893 8.440 0.453 1 1 433 . 11 1 1 A 40 40 ILE HA H 38 5.068 4.921 0.147 1 1 443 . 11 1 1 A 40 40 ILE C C 38 174.390 175.179 -0.789 1 1 444 . 11 1 1 A 40 40 ILE CA C 38 60.582 59.973 0.609 1 1 445 . 11 1 1 A 40 40 ILE CB C 38 40.048 39.853 0.195 1 1 449 . 11 1 1 A 40 40 ILE N N 38 123.962 127.710 -3.748 1 1 450 . 11 1 1 A 41 41 VAL H H 39 9.120 9.237 -0.117 1 1 451 . 11 1 1 A 41 41 VAL HA H 39 4.845 4.931 -0.086 1 1 459 . 11 1 1 A 41 41 VAL C C 39 175.487 174.478 1.009 1 1 460 . 11 1 1 A 41 41 VAL CA C 39 59.980 60.605 -0.625 1 1 461 . 11 1 1 A 41 41 VAL CB C 39 35.868 34.928 0.940 1 1 464 . 11 1 1 A 41 41 VAL N N 39 126.354 126.622 -0.268 1 1 465 . 11 1 1 A 42 42 ALA H H 40 9.513 9.022 0.491 1 1 466 . 11 1 1 A 42 42 ALA HA H 40 5.154 5.113 0.041 1 1 470 . 11 1 1 A 42 42 ALA C C 40 175.944 175.774 0.170 1 1 471 . 11 1 1 A 42 42 ALA CA C 40 50.591 50.315 0.276 1 1 472 . 11 1 1 A 42 42 ALA CB C 40 22.432 23.327 -0.895 1 1 473 . 11 1 1 A 42 42 ALA N N 40 128.406 128.483 -0.077 1 1 474 . 11 1 1 A 43 43 ARG H H 41 7.717 8.439 -0.722 1 1 475 . 11 1 1 A 43 43 ARG HA H 41 4.979 4.690 0.289 1 1 482 . 11 1 1 A 43 43 ARG C C 41 175.510 175.385 0.125 1 1 483 . 11 1 1 A 43 43 ARG CA C 41 54.162 55.381 -1.219 1 1 484 . 11 1 1 A 43 43 ARG CB C 41 31.200 31.504 -0.304 1 1 487 . 11 1 1 A 43 43 ARG N N 41 121.663 120.732 0.931 1 1 488 . 11 1 1 A 44 44 LEU H H 42 9.163 8.712 0.451 1 1 489 . 11 1 1 A 44 44 LEU HA H 42 5.033 4.796 0.237 1 1 499 . 11 1 1 A 44 44 LEU C C 42 177.840 177.276 0.564 1 1 500 . 11 1 1 A 44 44 LEU CA C 42 54.724 53.978 0.746 1 1 501 . 11 1 1 A 44 44 LEU CB C 42 41.712 42.347 -0.635 1 1 505 . 11 1 1 A 44 44 LEU N N 42 129.087 124.860 4.227 1 1 506 . 11 1 1 A 45 45 LYS H H 43 8.417 8.593 -0.176 1 1 507 . 11 1 1 A 45 45 LYS HA H 43 3.950 4.226 -0.276 1 1 516 . 11 1 1 A 45 45 LYS CA C 43 59.016 56.336 2.680 1 1 517 . 11 1 1 A 45 45 LYS CB C 43 34.102 33.403 0.699 1 1 520 . 11 1 1 A 45 45 LYS N N 43 119.674 121.556 -1.882 1 1 521 . 11 1 1 A 48 48 ASN HA H 46 4.723 5.180 -0.457 1 1 526 . 11 1 1 A 48 48 ASN C C 46 175.098 174.338 0.760 1 1 527 . 11 1 1 A 48 48 ASN CA C 46 54.764 52.052 2.712 1 1 528 . 11 1 1 A 48 48 ASN CB C 46 39.265 40.877 -1.612 1 1 530 . 11 1 1 A 49 49 ARG H H 47 7.919 8.886 -0.967 1 1 531 . 11 1 1 A 49 49 ARG HA H 47 4.353 5.051 -0.698 1 1 538 . 11 1 1 A 49 49 ARG C C 47 175.601 174.767 0.834 1 1 539 . 11 1 1 A 49 49 ARG CA C 47 57.051 54.243 2.808 1 1 540 . 11 1 1 A 49 49 ARG CB C 47 32.121 31.876 0.245 1 1 543 . 11 1 1 A 49 49 ARG N N 47 119.826 117.098 2.728 1 1 544 . 11 1 1 A 50 50 GLN H H 48 8.547 8.465 0.082 1 1 545 . 11 1 1 A 50 50 GLN HA H 48 5.456 4.780 0.676 1 1 552 . 11 1 1 A 50 50 GLN C C 48 175.578 175.236 0.342 1 1 553 . 11 1 1 A 50 50 GLN CA C 48 55.125 54.954 0.171 1 1 554 . 11 1 1 A 50 50 GLN CB C 48 32.121 29.767 2.354 1 1 556 . 11 1 1 A 50 50 GLN N N 48 120.767 116.614 4.153 1 1 558 . 11 1 1 A 51 51 VAL H H 49 8.630 9.023 -0.393 1 1 559 . 11 1 1 A 51 51 VAL HA H 49 4.826 4.884 -0.058 1 1 567 . 11 1 1 A 51 51 VAL C C 49 175.258 174.249 1.009 1 1 568 . 11 1 1 A 51 51 VAL CA C 49 59.338 58.945 0.393 1 1 569 . 11 1 1 A 51 51 VAL CB C 49 36.155 35.390 0.765 1 1 572 . 11 1 1 A 51 51 VAL N N 49 116.678 117.790 -1.112 1 1 573 . 11 1 1 A 52 52 CYS H H 50 9.100 8.884 0.216 1 1 574 . 11 1 1 A 52 52 CYS HA H 50 5.301 5.355 -0.054 1 1 577 . 11 1 1 A 52 52 CYS C C 50 174.527 173.242 1.285 1 1 578 . 11 1 1 A 52 52 CYS CA C 50 58.054 54.897 3.157 1 1 579 . 11 1 1 A 52 52 CYS CB C 50 43.375 43.502 -0.127 1 1 580 . 11 1 1 A 52 52 CYS N N 50 124.549 119.881 4.668 1 1 581 . 11 1 1 A 53 53 ILE H H 51 8.485 9.499 -1.014 1 1 582 . 11 1 1 A 53 53 ILE HA H 51 4.964 4.794 0.170 1 1 592 . 11 1 1 A 53 53 ILE C C 51 173.019 175.055 -2.036 1 1 593 . 11 1 1 A 53 53 ILE CA C 51 58.897 59.943 -1.046 1 1 594 . 11 1 1 A 53 53 ILE CB C 51 42.201 40.966 1.235 1 1 598 . 11 1 1 A 53 53 ILE N N 51 122.581 125.965 -3.384 1 1 599 . 11 1 1 A 54 54 ASP H H 52 7.661 8.181 -0.520 1 1 600 . 11 1 1 A 54 54 ASP HA H 52 3.642 4.491 -0.849 1 1 603 . 11 1 1 A 54 54 ASP CA C 52 51.574 51.747 -0.173 1 1 604 . 11 1 1 A 54 54 ASP CB C 52 42.515 41.871 0.644 1 1 605 . 11 1 1 A 54 54 ASP N N 52 125.772 126.219 -0.447 1 1 606 . 11 1 1 A 55 55 PRO HA H 53 4.025 4.371 -0.346 1 1 613 . 11 1 1 A 55 55 PRO C C 53 176.126 176.255 -0.129 1 1 614 . 11 1 1 A 55 55 PRO CA C 53 63.993 63.829 0.164 1 1 615 . 11 1 1 A 55 55 PRO CB C 53 33.002 31.553 1.449 1 1 618 . 11 1 1 A 56 56 LYS H H 54 7.931 7.799 0.132 1 1 619 . 11 1 1 A 56 56 LYS HA H 54 3.988 4.352 -0.364 1 1 628 . 11 1 1 A 56 56 LYS C C 54 177.931 176.177 1.754 1 1 629 . 11 1 1 A 56 56 LYS CA C 54 56.770 55.934 0.836 1 1 630 . 11 1 1 A 56 56 LYS CB C 54 32.023 33.167 -1.144 1 1 634 . 11 1 1 A 56 56 LYS N N 54 112.924 116.061 -3.137 1 1 635 . 11 1 1 A 57 57 LEU H H 55 7.162 7.248 -0.086 1 1 636 . 11 1 1 A 57 57 LEU HA H 55 4.059 3.989 0.070 1 1 646 . 11 1 1 A 57 57 LEU C C 55 179.416 177.707 1.709 1 1 647 . 11 1 1 A 57 57 LEU CA C 55 56.088 55.339 0.749 1 1 648 . 11 1 1 A 57 57 LEU CB C 55 42.191 42.286 -0.095 1 1 652 . 11 1 1 A 57 57 LEU N N 55 120.593 122.126 -1.533 1 1 653 . 11 1 1 A 58 58 LYS H H 56 8.720 8.986 -0.266 1 1 654 . 11 1 1 A 58 58 LYS HA H 56 3.920 3.839 0.081 1 1 663 . 11 1 1 A 58 58 LYS C C 56 178.937 178.032 0.905 1 1 664 . 11 1 1 A 58 58 LYS CA C 56 60.301 59.896 0.405 1 1 665 . 11 1 1 A 58 58 LYS CB C 56 32.121 32.431 -0.310 1 1 669 . 11 1 1 A 58 58 LYS N N 56 125.479 126.518 -1.039 1 1 670 . 11 1 1 A 59 59 TRP H H 57 7.811 8.253 -0.442 1 1 671 . 11 1 1 A 59 59 TRP HA H 57 4.664 4.512 0.152 1 1 680 . 11 1 1 A 59 59 TRP C C 57 178.868 179.345 -0.477 1 1 681 . 11 1 1 A 59 59 TRP CA C 57 58.897 59.912 -1.015 1 1 682 . 11 1 1 A 59 59 TRP CB C 57 28.036 27.966 0.070 1 1 688 . 11 1 1 A 59 59 TRP N N 57 113.433 118.901 -5.468 1 1 690 . 11 1 1 A 60 60 ILE H H 58 6.467 7.368 -0.901 1 1 691 . 11 1 1 A 60 60 ILE HA H 58 3.325 3.541 -0.216 1 1 701 . 11 1 1 A 60 60 ILE C C 58 177.726 177.710 0.016 1 1 702 . 11 1 1 A 60 60 ILE CA C 58 64.314 64.710 -0.396 1 1 703 . 11 1 1 A 60 60 ILE CB C 58 35.897 37.135 -1.238 1 1 707 . 11 1 1 A 60 60 ILE N N 58 124.379 122.370 2.009 1 1 708 . 11 1 1 A 61 61 GLN H H 59 7.624 8.130 -0.506 1 1 709 . 11 1 1 A 61 61 GLN HA H 59 3.755 3.900 -0.145 1 1 716 . 11 1 1 A 61 61 GLN C C 59 178.434 178.507 -0.073 1 1 717 . 11 1 1 A 61 61 GLN CA C 59 59.379 59.140 0.239 1 1 718 . 11 1 1 A 61 61 GLN CB C 59 28.602 28.409 0.193 1 1 720 . 11 1 1 A 61 61 GLN N N 59 119.070 118.074 0.996 1 1 722 . 11 1 1 A 62 62 GLU H H 60 8.064 8.467 -0.403 1 1 723 . 11 1 1 A 62 62 GLU HA H 60 4.087 4.029 0.058 1 1 728 . 11 1 1 A 62 62 GLU C C 60 179.051 178.544 0.507 1 1 729 . 11 1 1 A 62 62 GLU CA C 60 59.659 59.520 0.139 1 1 730 . 11 1 1 A 62 62 GLU CB C 60 30.457 29.544 0.913 1 1 732 . 11 1 1 A 62 62 GLU N N 60 117.166 119.841 -2.675 1 1 733 . 11 1 1 A 63 63 TYR H H 61 7.924 7.967 -0.043 1 1 734 . 11 1 1 A 63 63 TYR HA H 61 4.254 4.221 0.033 1 1 741 . 11 1 1 A 63 63 TYR C C 61 178.617 177.325 1.292 1 1 742 . 11 1 1 A 63 63 TYR CA C 61 61.184 61.528 -0.344 1 1 743 . 11 1 1 A 63 63 TYR CB C 61 39.461 38.693 0.768 1 1 746 . 11 1 1 A 63 63 TYR N N 61 121.271 120.924 0.347 1 1 747 . 11 1 1 A 64 64 LEU H H 62 8.260 9.027 -0.767 1 1 748 . 11 1 1 A 64 64 LEU HA H 62 3.966 3.883 0.083 1 1 758 . 11 1 1 A 64 64 LEU C C 62 179.553 178.921 0.632 1 1 759 . 11 1 1 A 64 64 LEU CA C 62 58.014 58.234 -0.220 1 1 760 . 11 1 1 A 64 64 LEU CB C 62 42.397 41.601 0.796 1 1 764 . 11 1 1 A 64 64 LEU N N 62 116.299 119.877 -3.578 1 1 765 . 11 1 1 A 65 65 GLU H H 63 8.454 8.390 0.064 1 1 766 . 11 1 1 A 65 65 GLU HA H 63 3.854 3.864 -0.010 1 1 771 . 11 1 1 A 65 65 GLU C C 63 179.279 178.495 0.784 1 1 772 . 11 1 1 A 65 65 GLU CA C 63 60.301 59.978 0.323 1 1 773 . 11 1 1 A 65 65 GLU CB C 63 29.870 29.182 0.688 1 1 775 . 11 1 1 A 65 65 GLU N N 63 118.616 119.124 -0.508 1 1 776 . 11 1 1 A 66 66 LYS H H 64 7.575 7.869 -0.294 1 1 777 . 11 1 1 A 66 66 LYS HA H 64 4.225 4.044 0.181 1 1 786 . 11 1 1 A 66 66 LYS C C 64 178.457 178.805 -0.348 1 1 787 . 11 1 1 A 66 66 LYS CA C 64 58.496 59.178 -0.682 1 1 788 . 11 1 1 A 66 66 LYS CB C 64 32.400 31.926 0.474 1 1 792 . 11 1 1 A 66 66 LYS N N 64 117.166 117.972 -0.806 1 1 793 . 11 1 1 A 67 67 CYS H H 65 7.918 8.018 -0.100 1 1 794 . 11 1 1 A 67 67 CYS HA H 65 4.526 3.972 0.554 1 1 797 . 11 1 1 A 67 67 CYS C C 65 174.893 177.019 -2.126 1 1 798 . 11 1 1 A 67 67 CYS CA C 65 56.329 63.515 -7.186 1 1 799 . 11 1 1 A 67 67 CYS CB C 65 45.235 27.068 18.167 1 1 800 . 11 1 1 A 67 67 CYS N N 65 115.330 117.973 -2.643 1 1 801 . 11 1 1 A 68 68 LEU H H 66 7.559 8.363 -0.804 1 1 802 . 11 1 1 A 68 68 LEU HA H 66 4.491 3.982 0.509 1 1 812 . 11 1 1 A 68 68 LEU C C 66 176.812 178.268 -1.456 1 1 813 . 11 1 1 A 68 68 LEU CA C 66 55.366 58.689 -3.323 1 1 814 . 11 1 1 A 68 68 LEU CB C 66 43.278 41.904 1.374 1 1 818 . 11 1 1 A 68 68 LEU N N 66 120.930 122.989 -2.059 1 1 819 . 11 1 1 A 69 69 ASN H H 67 8.265 7.661 0.604 1 1 820 . 11 1 1 A 69 69 ASN HA H 67 4.669 4.782 -0.113 1 1 825 . 11 1 1 A 69 69 ASN CA C 67 53.761 55.105 -1.344 1 1 826 . 11 1 1 A 69 69 ASN CB C 67 39.069 39.425 -0.356 1 1 827 . 11 1 1 A 69 69 ASN N N 67 120.279 116.646 3.633 1 1 852 . 11 2 2 B 4 4 GLU H H 102 8.342 7.789 0.553 1 1 853 . 11 2 2 B 4 4 GLU HA H 102 4.282 4.179 0.103 1 1 858 . 11 2 2 B 4 4 GLU C C 102 177.132 175.939 1.193 1 1 859 . 11 2 2 B 4 4 GLU CA C 102 57.410 57.314 0.096 1 1 861 . 11 2 2 B 4 4 GLU N N 102 121.884 119.472 2.412 1 1 862 . 11 2 2 B 5 5 GLY H H 103 8.331 8.496 -0.165 1 1 863 . 11 2 2 B 5 5 GLY HA2 H 103 3.960 4.245 -0.285 1 1 864 . 11 2 2 B 5 5 GLY HA3 H 103 3.960 4.251 -0.291 1 1 865 . 11 2 2 B 5 5 GLY C C 103 174.207 172.778 1.429 1 1 866 . 11 2 2 B 5 5 GLY CA C 103 45.731 44.416 1.315 1 1 867 . 11 2 2 B 5 5 GLY N N 103 110.055 112.255 -2.200 1 1 868 . 11 2 2 B 6 6 ILE H H 104 7.831 8.719 -0.888 1 1 869 . 11 2 2 B 6 6 ILE HA H 104 4.286 3.998 0.288 1 1 879 . 11 2 2 B 6 6 ILE C C 104 176.401 175.821 0.580 1 1 880 . 11 2 2 B 6 6 ILE CA C 104 61.558 62.319 -0.761 1 1 881 . 11 2 2 B 6 6 ILE CB C 104 39.436 36.924 2.512 1 1 885 . 11 2 2 B 6 6 ILE N N 104 119.606 121.979 -2.373 1 1 886 . 11 2 2 B 7 7 SER H H 105 8.350 8.431 -0.081 1 1 887 . 11 2 2 B 7 7 SER HA H 105 4.545 4.324 0.221 1 1 890 . 11 2 2 B 7 7 SER C C 105 174.550 173.649 0.901 1 1 891 . 11 2 2 B 7 7 SER CA C 105 58.667 56.423 2.244 1 1 892 . 11 2 2 B 7 7 SER CB C 105 64.072 66.557 -2.485 1 1 893 . 11 2 2 B 7 7 SER N N 105 119.853 121.916 -2.063 1 1 894 . 11 2 2 B 8 8 ILE H H 106 7.921 9.127 -1.206 1 1 895 . 11 2 2 B 8 8 ILE HA H 106 4.205 3.809 0.396 1 1 905 . 11 2 2 B 8 8 ILE C C 106 175.921 175.370 0.551 1 1 906 . 11 2 2 B 8 8 ILE CA C 106 61.935 63.846 -1.911 1 1 907 . 11 2 2 B 8 8 ILE CB C 106 39.436 35.833 3.603 1 1 911 . 11 2 2 B 8 8 ILE N N 106 121.730 117.755 3.975 1 1 912 . 11 2 2 B 9 9 TYR H H 107 8.166 8.407 -0.241 1 1 913 . 11 2 2 B 9 9 TYR HA H 107 4.713 4.183 0.530 1 1 920 . 11 2 2 B 9 9 TYR C C 107 176.058 174.821 1.237 1 1 921 . 11 2 2 B 9 9 TYR CA C 107 58.165 61.736 -3.571 1 1 922 . 11 2 2 B 9 9 TYR CB C 107 39.436 36.854 2.582 1 1 925 . 11 2 2 B 9 9 TYR N N 107 123.598 118.225 5.373 1 1 926 . 11 2 2 B 10 10 THR H H 108 7.961 8.142 -0.181 1 1 927 . 11 2 2 B 10 10 THR HA H 108 4.433 4.496 -0.063 1 1 932 . 11 2 2 B 10 10 THR C C 108 174.459 173.861 0.598 1 1 933 . 11 2 2 B 10 10 THR CA C 108 62.061 63.416 -1.355 1 1 934 . 11 2 2 B 10 10 THR CB C 108 70.608 71.480 -0.872 1 1 936 . 11 2 2 B 10 10 THR N N 108 115.642 111.448 4.194 1 1 937 . 11 2 2 B 11 11 SER H H 109 8.211 7.829 0.382 1 1 938 . 11 2 2 B 11 11 SER HA H 109 4.507 5.059 -0.552 1 1 941 . 11 2 2 B 11 11 SER C C 109 174.504 172.902 1.602 1 1 942 . 11 2 2 B 11 11 SER CA C 109 58.919 57.741 1.178 1 1 943 . 11 2 2 B 11 11 SER CB C 109 64.198 66.339 -2.141 1 1 944 . 11 2 2 B 11 11 SER N N 109 117.260 112.204 5.056 1 1 945 . 11 2 2 B 12 12 ASP H H 110 8.351 8.724 -0.373 1 1 946 . 11 2 2 B 12 12 ASP HA H 110 4.631 4.869 -0.238 1 1 949 . 11 2 2 B 12 12 ASP C C 110 176.058 175.186 0.872 1 1 950 . 11 2 2 B 12 12 ASP CA C 110 55.022 53.957 1.065 1 1 951 . 11 2 2 B 12 12 ASP CB C 110 41.825 41.246 0.579 1 1 952 . 11 2 2 B 12 12 ASP N N 110 122.020 125.703 -3.683 1 1 953 . 11 2 2 B 13 13 ASN H H 111 8.230 8.841 -0.611 1 1 954 . 11 2 2 B 13 13 ASN HA H 111 4.726 4.792 -0.066 1 1 957 . 11 2 2 B 13 13 ASN C C 111 175.030 174.909 0.121 1 1 958 . 11 2 2 B 13 13 ASN CA C 111 53.765 52.774 0.991 1 1 959 . 11 2 2 B 13 13 ASN CB C 111 39.562 37.212 2.350 1 1 960 . 11 2 2 B 13 13 ASN N N 111 118.317 123.418 -5.101 1 1 961 . 11 2 2 B 14 14 TYR H H 112 8.101 8.452 -0.351 1 1 962 . 11 2 2 B 14 14 TYR HA H 112 4.638 4.669 -0.031 1 1 969 . 11 2 2 B 14 14 TYR C C 112 176.081 175.980 0.101 1 1 970 . 11 2 2 B 14 14 TYR CA C 112 58.793 58.959 -0.166 1 1 971 . 11 2 2 B 14 14 TYR CB C 112 39.436 40.167 -0.731 1 1 974 . 11 2 2 B 14 14 TYR N N 112 120.850 126.157 -5.307 1 1 975 . 11 2 2 B 15 15 THR H H 113 7.879 8.104 -0.225 1 1 976 . 11 2 2 B 15 15 THR HA H 113 4.284 4.314 -0.030 1 1 981 . 11 2 2 B 15 15 THR C C 113 174.413 173.548 0.865 1 1 982 . 11 2 2 B 15 15 THR CA C 113 62.187 62.875 -0.688 1 1 983 . 11 2 2 B 15 15 THR CB C 113 70.341 66.427 3.914 1 1 985 . 11 2 2 B 15 15 THR N N 113 116.126 113.316 2.810 1 1 986 . 11 2 2 B 16 16 GLU H H 114 8.253 8.053 0.200 1 1 987 . 11 2 2 B 16 16 GLU HA H 114 4.256 4.801 -0.545 1 1 992 . 11 2 2 B 16 16 GLU C C 114 176.766 175.794 0.972 1 1 993 . 11 2 2 B 16 16 GLU CA C 114 57.410 55.367 2.043 1 1 994 . 11 2 2 B 16 16 GLU CB C 114 30.620 32.798 -2.178 1 1 996 . 11 2 2 B 16 16 GLU N N 114 123.052 121.104 1.948 1 1 997 . 11 2 2 B 17 17 GLU H H 115 8.331 8.919 -0.588 1 1 998 . 11 2 2 B 17 17 GLU HA H 115 4.292 4.647 -0.355 1 1 1003 . 11 2 2 B 17 17 GLU C C 115 176.880 176.601 0.279 1 1 1004 . 11 2 2 B 17 17 GLU CA C 115 57.410 57.354 0.056 1 1 1005 . 11 2 2 B 17 17 GLU CB C 115 30.525 31.880 -1.355 1 1 1007 . 11 2 2 B 17 17 GLU N N 115 121.688 122.128 -0.440 1 1 1008 . 11 2 2 B 18 18 MET H H 116 8.317 7.892 0.425 1 1 1009 . 11 2 2 B 18 18 MET HA H 116 4.490 5.045 -0.555 1 1 1014 . 11 2 2 B 18 18 MET C C 116 177.086 175.450 1.636 1 1 1015 . 11 2 2 B 18 18 MET CA C 116 56.279 54.305 1.974 1 1 1016 . 11 2 2 B 18 18 MET CB C 116 33.026 38.703 -5.677 1 1 1017 . 11 2 2 B 18 18 MET N N 116 121.270 117.639 3.631 1 1 1018 . 11 2 2 B 19 19 GLY H H 117 8.320 8.262 0.058 1 1 1019 . 11 2 2 B 19 19 GLY HA2 H 117 4.054 4.164 -0.110 1 1 1020 . 11 2 2 B 19 19 GLY HA3 H 117 4.054 4.182 -0.128 1 1 1021 . 11 2 2 B 19 19 GLY C C 117 174.481 172.664 1.817 1 1 1022 . 11 2 2 B 19 19 GLY CA C 117 45.847 45.674 0.173 1 1 1023 . 11 2 2 B 19 19 GLY N N 117 110.055 108.599 1.456 1 1 1024 . 11 2 2 B 20 20 SER H H 118 8.230 8.484 -0.254 1 1 1025 . 11 2 2 B 20 20 SER HA H 118 4.476 5.128 -0.652 1 1 1028 . 11 2 2 B 20 20 SER C C 118 175.327 173.856 1.471 1 1 1029 . 11 2 2 B 20 20 SER CA C 118 58.919 56.942 1.977 1 1 1030 . 11 2 2 B 20 20 SER CB C 118 64.575 65.264 -0.689 1 1 1031 . 11 2 2 B 20 20 SER N N 118 115.664 116.920 -1.256 1 1 1032 . 11 2 2 B 21 21 GLY H H 119 8.371 8.395 -0.024 1 1 1033 . 11 2 2 B 21 21 GLY HA2 H 119 3.951 4.219 -0.268 1 1 1034 . 11 2 2 B 21 21 GLY HA3 H 119 3.951 4.220 -0.269 1 1 1035 . 11 2 2 B 21 21 GLY C C 119 174.002 172.955 1.047 1 1 1036 . 11 2 2 B 21 21 GLY CA C 119 45.721 45.748 -0.027 1 1 1037 . 11 2 2 B 21 21 GLY N N 119 110.872 107.607 3.265 1 1 1068 . 11 2 2 B 25 25 SER H H 123 8.155 8.806 -0.651 1 1 1069 . 11 2 2 B 25 25 SER HA H 123 4.404 5.056 -0.652 1 1 1072 . 11 2 2 B 25 25 SER C C 123 175.075 174.075 1.000 1 1 1073 . 11 2 2 B 25 25 SER CA C 123 59.347 56.961 2.386 1 1 1074 . 11 2 2 B 25 25 SER CB C 123 63.879 64.650 -0.771 1 1 1075 . 11 2 2 B 25 25 SER N N 123 116.126 122.388 -6.262 1 1 1076 . 11 2 2 B 26 26 MET H H 124 8.221 8.869 -0.648 1 1 1077 . 11 2 2 B 26 26 MET HA H 124 4.482 4.341 0.141 1 1 1082 . 11 2 2 B 26 26 MET C C 124 176.355 175.051 1.304 1 1 1083 . 11 2 2 B 26 26 MET CA C 124 56.279 56.167 0.112 1 1 1084 . 11 2 2 B 26 26 MET CB C 124 32.900 31.124 1.776 1 1 1086 . 11 2 2 B 26 26 MET N N 124 121.210 126.145 -4.935 1 1 1087 . 11 2 2 B 27 27 LYS H H 125 8.036 8.608 -0.572 1 1 1088 . 11 2 2 B 27 27 LYS HA H 125 4.333 4.972 -0.639 1 1 1097 . 11 2 2 B 27 27 LYS C C 125 176.355 174.912 1.443 1 1 1098 . 11 2 2 B 27 27 LYS CA C 125 56.656 54.567 2.089 1 1 1099 . 11 2 2 B 27 27 LYS CB C 125 33.529 35.482 -1.953 1 1 1103 . 11 2 2 B 27 27 LYS N N 125 121.457 124.187 -2.730 1 1 1104 . 11 2 2 B 28 28 GLU H H 126 8.205 9.153 -0.948 1 1 1105 . 11 2 2 B 28 28 GLU N N 126 122.740 118.294 4.446 1 1 1106 . 11 2 2 B 29 29 PRO HA H 127 4.377 4.667 -0.290 1 1 1113 . 11 2 2 B 29 29 PRO C C 127 176.812 176.183 0.629 1 1 1114 . 11 2 2 B 29 29 PRO CA C 127 63.821 62.478 1.343 1 1 1115 . 11 2 2 B 29 29 PRO CB C 127 32.272 32.598 -0.326 1 1 1118 . 11 2 2 B 30 30 ALA H H 128 8.273 8.182 0.091 1 1 1119 . 11 2 2 B 30 30 ALA HA H 128 4.287 4.389 -0.102 1 1 1123 . 11 2 2 B 30 30 ALA C C 128 177.589 176.057 1.532 1 1 1124 . 11 2 2 B 30 30 ALA CA C 128 52.873 51.096 1.777 1 1 1125 . 11 2 2 B 30 30 ALA CB C 128 19.703 17.786 1.917 1 1 1126 . 11 2 2 B 30 30 ALA N N 128 123.577 125.206 -1.629 1 1 1127 . 11 2 2 B 31 31 PHE H H 129 8.019 8.505 -0.486 1 1 1128 . 11 2 2 B 31 31 PHE HA H 129 4.621 5.008 -0.387 1 1 1135 . 11 2 2 B 31 31 PHE C C 129 175.624 174.656 0.968 1 1 1136 . 11 2 2 B 31 31 PHE CA C 129 58.039 56.257 1.782 1 1 1137 . 11 2 2 B 31 31 PHE CB C 129 40.055 39.595 0.460 1 1 1140 . 11 2 2 B 31 31 PHE N N 129 118.994 121.656 -2.662 1 1 1141 . 11 2 2 B 32 32 ARG H H 130 8.042 8.491 -0.449 1 1 1142 . 11 2 2 B 32 32 ARG HA H 130 4.332 4.575 -0.243 1 1 1149 . 11 2 2 B 32 32 ARG C C 130 175.875 174.318 1.557 1 1 1150 . 11 2 2 B 32 32 ARG CA C 130 56.154 57.440 -1.286 1 1 1151 . 11 2 2 B 32 32 ARG CB C 130 31.643 31.735 -0.092 1 1 1154 . 11 2 2 B 32 32 ARG N N 130 122.929 124.153 -1.224 1 1 1155 . 11 2 2 B 33 33 GLU H H 131 8.389 7.723 0.666 1 1 1156 . 11 2 2 B 33 33 GLU HA H 131 4.276 4.744 -0.468 1 1 1161 . 11 2 2 B 33 33 GLU C C 131 176.766 175.030 1.736 1 1 1162 . 11 2 2 B 33 33 GLU CA C 131 57.285 55.455 1.830 1 1 1163 . 11 2 2 B 33 33 GLU CB C 131 30.512 32.377 -1.865 1 1 1165 . 11 2 2 B 33 33 GLU N N 131 122.719 117.357 5.362 1 1 1166 . 11 2 2 B 34 34 GLU H H 132 8.502 9.164 -0.662 1 1 1167 . 11 2 2 B 34 34 GLU HA H 132 4.275 4.886 -0.611 1 1 1172 . 11 2 2 B 34 34 GLU C C 132 176.560 174.438 2.122 1 1 1173 . 11 2 2 B 34 34 GLU CA C 132 57.400 54.990 2.410 1 1 1174 . 11 2 2 B 34 34 GLU CB C 132 30.526 31.179 -0.653 1 1 1176 . 11 2 2 B 34 34 GLU N N 132 122.122 124.542 -2.420 1 1 1177 . 11 2 2 B 35 35 ASN H H 133 8.362 9.090 -0.728 1 1 1178 . 11 2 2 B 35 35 ASN HA H 133 4.693 5.142 -0.449 1 1 1181 . 11 2 2 B 35 35 ASN C C 133 175.258 174.096 1.162 1 1 1182 . 11 2 2 B 35 35 ASN CA C 133 53.765 52.167 1.598 1 1 1183 . 11 2 2 B 35 35 ASN CB C 133 39.562 38.992 0.570 1 1 1184 . 11 2 2 B 35 35 ASN N N 133 119.552 125.171 -5.619 1 1 1185 . 11 2 2 B 36 36 ALA H H 134 8.155 8.223 -0.068 1 1 1186 . 11 2 2 B 36 36 ALA HA H 134 4.289 5.058 -0.769 1 1 1190 . 11 2 2 B 36 36 ALA C C 134 177.520 175.707 1.813 1 1 1191 . 11 2 2 B 36 36 ALA CA C 134 52.873 51.481 1.392 1 1 1192 . 11 2 2 B 36 36 ALA CB C 134 19.703 22.693 -2.990 1 1 1193 . 11 2 2 B 36 36 ALA N N 134 124.376 127.188 -2.812 1 1 1194 . 11 2 2 B 37 37 ASN H H 135 8.210 9.063 -0.853 1 1 1195 . 11 2 2 B 37 37 ASN HA H 135 4.694 5.446 -0.752 1 1 1198 . 11 2 2 B 37 37 ASN C C 135 175.144 173.565 1.579 1 1 1199 . 11 2 2 B 37 37 ASN CA C 135 53.640 51.338 2.302 1 1 1200 . 11 2 2 B 37 37 ASN CB C 135 39.311 42.815 -3.504 1 1 1201 . 11 2 2 B 37 37 ASN N N 135 117.103 118.704 -1.601 1 1 1202 . 11 2 2 B 38 38 PHE H H 136 7.997 9.032 -1.035 1 1 1203 . 11 2 2 B 38 38 PHE HA H 136 4.659 4.736 -0.077 1 1 1210 . 11 2 2 B 38 38 PHE C C 136 175.601 174.337 1.264 1 1 1211 . 11 2 2 B 38 38 PHE CA C 136 58.165 56.531 1.634 1 1 1212 . 11 2 2 B 38 38 PHE CB C 136 39.939 39.168 0.771 1 1 1215 . 11 2 2 B 38 38 PHE N N 136 120.229 123.276 -3.047 1 1 1216 . 11 2 2 B 39 39 ASN H H 137 8.272 8.268 0.004 1 1 1217 . 11 2 2 B 39 39 ASN HA H 137 4.733 4.507 0.226 1 1 1220 . 11 2 2 B 39 39 ASN C C 137 174.047 175.574 -1.527 1 1 1221 . 11 2 2 B 39 39 ASN CA C 137 53.891 53.864 0.027 1 1 1222 . 11 2 2 B 39 39 ASN CB C 137 39.688 38.294 1.394 1 1 1223 . 11 2 2 B 39 39 ASN N N 137 120.594 126.787 -6.193 1 1 3 . 12 1 1 A 4 4 PRO HA H 2 4.509 4.455 0.054 1 1 10 . 12 1 1 A 4 4 PRO C C 2 177.132 176.501 0.631 1 1 11 . 12 1 1 A 4 4 PRO CA C 2 63.529 63.243 0.286 1 1 12 . 12 1 1 A 4 4 PRO CB C 2 32.476 31.809 0.667 1 1 15 . 12 1 1 A 5 5 VAL H H 3 8.201 8.632 -0.431 1 1 16 . 12 1 1 A 5 5 VAL HA H 3 4.152 4.153 -0.001 1 1 24 . 12 1 1 A 5 5 VAL C C 3 176.423 176.863 -0.440 1 1 25 . 12 1 1 A 5 5 VAL CA C 3 62.873 61.671 1.202 1 1 26 . 12 1 1 A 5 5 VAL CB C 3 33.455 31.318 2.137 1 1 28 . 12 1 1 A 5 5 VAL N N 3 120.488 124.076 -3.588 1 1 29 . 12 1 1 A 6 6 SER H H 4 8.276 8.656 -0.380 1 1 30 . 12 1 1 A 6 6 SER HA H 4 4.494 4.650 -0.156 1 1 33 . 12 1 1 A 6 6 SER C C 4 174.687 174.856 -0.169 1 1 34 . 12 1 1 A 6 6 SER CA C 4 58.375 57.509 0.866 1 1 35 . 12 1 1 A 6 6 SER CB C 4 64.295 62.827 1.468 1 1 36 . 12 1 1 A 6 6 SER N N 4 119.000 118.694 0.306 1 1 37 . 12 1 1 A 7 7 LEU H H 5 8.238 7.470 0.768 1 1 38 . 12 1 1 A 7 7 LEU HA H 5 4.406 4.176 0.230 1 1 44 . 12 1 1 A 7 7 LEU C C 5 177.406 176.821 0.585 1 1 45 . 12 1 1 A 7 7 LEU CA C 5 55.766 55.055 0.711 1 1 46 . 12 1 1 A 7 7 LEU CB C 5 43.132 42.347 0.785 1 1 48 . 12 1 1 A 7 7 LEU N N 5 124.704 120.651 4.053 1 1 49 . 12 1 1 A 8 8 SER H H 6 8.148 8.623 -0.475 1 1 50 . 12 1 1 A 8 8 SER HA H 6 4.438 4.760 -0.322 1 1 53 . 12 1 1 A 8 8 SER C C 6 174.321 172.477 1.844 1 1 54 . 12 1 1 A 8 8 SER CA C 6 58.718 56.943 1.775 1 1 55 . 12 1 1 A 8 8 SER CB C 6 64.295 66.012 -1.717 1 1 56 . 12 1 1 A 8 8 SER N N 6 115.960 117.746 -1.786 1 1 57 . 12 1 1 A 9 9 TYR H H 7 7.954 8.707 -0.753 1 1 58 . 12 1 1 A 9 9 TYR HA H 7 4.585 4.696 -0.111 1 1 65 . 12 1 1 A 9 9 TYR C C 7 175.532 175.460 0.072 1 1 66 . 12 1 1 A 9 9 TYR CA C 7 58.335 56.676 1.659 1 1 67 . 12 1 1 A 9 9 TYR CB C 7 39.474 36.394 3.080 1 1 70 . 12 1 1 A 9 9 TYR N N 7 121.884 120.072 1.812 1 1 71 . 12 1 1 A 10 10 ARG H H 8 8.117 8.031 0.086 1 1 72 . 12 1 1 A 10 10 ARG HA H 8 4.349 4.876 -0.527 1 1 79 . 12 1 1 A 10 10 ARG C C 8 175.898 174.875 1.023 1 1 80 . 12 1 1 A 10 10 ARG CA C 8 56.048 53.814 2.234 1 1 81 . 12 1 1 A 10 10 ARG CB C 8 31.492 34.587 -3.095 1 1 84 . 12 1 1 A 10 10 ARG N N 8 121.977 120.045 1.932 1 1 85 . 12 1 1 A 11 11 CYS H H 9 8.127 8.746 -0.619 1 1 86 . 12 1 1 A 11 11 CYS HA H 9 4.984 4.932 0.052 1 1 89 . 12 1 1 A 11 11 CYS C C 9 177.771 174.080 3.691 1 1 90 . 12 1 1 A 11 11 CYS CA C 9 53.192 55.068 -1.876 1 1 91 . 12 1 1 A 11 11 CYS CB C 9 40.897 42.771 -1.874 1 1 92 . 12 1 1 A 11 11 CYS N N 9 121.209 119.903 1.306 1 1 93 . 12 1 1 A 12 12 PRO HA H 10 4.321 4.454 -0.133 1 1 100 . 12 1 1 A 12 12 PRO CA C 10 65.478 63.959 1.519 1 1 101 . 12 1 1 A 12 12 PRO CB C 10 32.904 31.491 1.413 1 1 104 . 12 1 1 A 13 13 CYS H H 11 8.633 7.679 0.954 1 1 105 . 12 1 1 A 13 13 CYS C C 11 174.618 173.746 0.872 1 1 106 . 12 1 1 A 13 13 CYS N N 11 114.595 116.255 -1.660 1 1 107 . 12 1 1 A 14 14 ARG H H 12 8.236 8.907 -0.671 1 1 108 . 12 1 1 A 14 14 ARG HA H 12 4.067 4.182 -0.115 1 1 115 . 12 1 1 A 14 14 ARG C C 12 175.098 175.012 0.086 1 1 116 . 12 1 1 A 14 14 ARG CA C 12 57.370 57.212 0.158 1 1 117 . 12 1 1 A 14 14 ARG CB C 12 31.631 31.474 0.157 1 1 120 . 12 1 1 A 14 14 ARG N N 12 122.779 123.796 -1.017 1 1 121 . 12 1 1 A 15 15 PHE H H 13 7.615 7.655 -0.040 1 1 122 . 12 1 1 A 15 15 PHE HA H 13 4.510 5.032 -0.522 1 1 129 . 12 1 1 A 15 15 PHE C C 13 174.162 174.616 -0.454 1 1 130 . 12 1 1 A 15 15 PHE CA C 13 56.289 56.077 0.212 1 1 131 . 12 1 1 A 15 15 PHE CB C 13 41.320 42.611 -1.291 1 1 134 . 12 1 1 A 15 15 PHE N N 13 116.797 114.424 2.373 1 1 135 . 12 1 1 A 16 16 PHE H H 14 8.125 8.265 -0.140 1 1 136 . 12 1 1 A 16 16 PHE HA H 14 4.767 5.587 -0.820 1 1 143 . 12 1 1 A 16 16 PHE C C 14 175.441 175.069 0.372 1 1 144 . 12 1 1 A 16 16 PHE CA C 14 55.767 55.648 0.119 1 1 145 . 12 1 1 A 16 16 PHE CB C 14 41.320 41.825 -0.505 1 1 148 . 12 1 1 A 16 16 PHE N N 14 118.930 118.192 0.738 1 1 149 . 12 1 1 A 17 17 GLU H H 15 8.836 9.380 -0.544 1 1 150 . 12 1 1 A 17 17 GLU HA H 15 4.579 4.530 0.049 1 1 155 . 12 1 1 A 17 17 GLU C C 15 176.857 176.748 0.109 1 1 156 . 12 1 1 A 17 17 GLU CA C 15 56.289 56.923 -0.634 1 1 157 . 12 1 1 A 17 17 GLU CB C 15 31.173 30.177 0.996 1 1 159 . 12 1 1 A 17 17 GLU N N 15 122.929 122.944 -0.015 1 1 160 . 12 1 1 A 18 18 SER H H 16 8.751 8.905 -0.154 1 1 161 . 12 1 1 A 18 18 SER HA H 16 4.762 4.725 0.037 1 1 164 . 12 1 1 A 18 18 SER C C 16 177.497 174.122 3.375 1 1 165 . 12 1 1 A 18 18 SER CA C 16 59.328 59.076 0.252 1 1 166 . 12 1 1 A 18 18 SER CB C 16 64.515 64.205 0.310 1 1 167 . 12 1 1 A 18 18 SER N N 16 118.860 121.011 -2.151 1 1 168 . 12 1 1 A 19 19 HIS H H 17 8.761 7.759 1.002 1 1 169 . 12 1 1 A 19 19 HIS HA H 17 4.859 5.033 -0.174 1 1 174 . 12 1 1 A 19 19 HIS C C 17 174.618 173.531 1.087 1 1 175 . 12 1 1 A 19 19 HIS CA C 17 56.449 54.419 2.030 1 1 176 . 12 1 1 A 19 19 HIS CB C 17 29.870 29.774 0.096 1 1 179 . 12 1 1 A 19 19 HIS N N 17 120.535 118.386 2.149 1 1 180 . 12 1 1 A 20 20 VAL H H 18 7.157 8.900 -1.743 1 1 181 . 12 1 1 A 20 20 VAL HA H 18 4.181 4.790 -0.609 1 1 189 . 12 1 1 A 20 20 VAL C C 18 174.436 173.738 0.698 1 1 190 . 12 1 1 A 20 20 VAL CA C 18 62.167 60.560 1.607 1 1 191 . 12 1 1 A 20 20 VAL CB C 18 34.426 35.846 -1.420 1 1 193 . 12 1 1 A 20 20 VAL N N 18 120.872 123.071 -2.199 1 1 194 . 12 1 1 A 21 21 ALA H H 19 8.521 8.458 0.063 1 1 195 . 12 1 1 A 21 21 ALA HA H 19 4.372 4.564 -0.192 1 1 199 . 12 1 1 A 21 21 ALA C C 19 177.657 178.230 -0.573 1 1 200 . 12 1 1 A 21 21 ALA CA C 19 51.193 50.553 0.640 1 1 201 . 12 1 1 A 21 21 ALA CB C 19 19.790 19.933 -0.143 1 1 202 . 12 1 1 A 21 21 ALA N N 19 131.339 129.034 2.305 1 1 203 . 12 1 1 A 22 22 ARG H H 20 7.790 7.974 -0.184 1 1 204 . 12 1 1 A 22 22 ARG HA H 20 2.445 3.345 -0.900 1 1 211 . 12 1 1 A 22 22 ARG C C 20 178.365 177.221 1.144 1 1 212 . 12 1 1 A 22 22 ARG CA C 20 59.379 57.510 1.869 1 1 213 . 12 1 1 A 22 22 ARG CB C 20 29.572 28.810 0.762 1 1 216 . 12 1 1 A 22 22 ARG N N 20 124.365 122.751 1.614 1 1 217 . 12 1 1 A 23 23 ALA H H 21 8.120 7.414 0.706 1 1 218 . 12 1 1 A 23 23 ALA HA H 21 4.060 4.087 -0.027 1 1 222 . 12 1 1 A 23 23 ALA C C 21 178.000 177.859 0.141 1 1 223 . 12 1 1 A 23 23 ALA CA C 21 54.100 53.599 0.501 1 1 224 . 12 1 1 A 23 23 ALA CB C 21 18.713 18.251 0.462 1 1 225 . 12 1 1 A 23 23 ALA N N 21 117.156 122.186 -5.030 1 1 226 . 12 1 1 A 24 24 ASN H H 22 7.717 7.798 -0.081 1 1 227 . 12 1 1 A 24 24 ASN HA H 22 5.010 4.760 0.250 1 1 232 . 12 1 1 A 24 24 ASN C C 22 174.938 174.838 0.100 1 1 233 . 12 1 1 A 24 24 ASN CA C 22 52.869 52.508 0.361 1 1 234 . 12 1 1 A 24 24 ASN CB C 22 40.573 38.882 1.691 1 1 235 . 12 1 1 A 24 24 ASN N N 22 112.819 115.124 -2.305 1 1 237 . 12 1 1 A 25 25 VAL H H 23 7.489 7.128 0.361 1 1 238 . 12 1 1 A 25 25 VAL HA H 23 4.888 4.436 0.452 1 1 246 . 12 1 1 A 25 25 VAL C C 23 175.829 175.457 0.372 1 1 247 . 12 1 1 A 25 25 VAL CA C 23 59.870 59.455 0.415 1 1 248 . 12 1 1 A 25 25 VAL CB C 23 35.396 34.341 1.055 1 1 251 . 12 1 1 A 25 25 VAL N N 23 119.721 116.991 2.730 1 1 252 . 12 1 1 A 26 26 LYS H H 24 9.479 9.370 0.109 1 1 253 . 12 1 1 A 26 26 LYS HA H 24 4.353 4.311 0.042 1 1 262 . 12 1 1 A 26 26 LYS C C 24 176.606 176.426 0.180 1 1 263 . 12 1 1 A 26 26 LYS CA C 24 58.977 57.422 1.555 1 1 264 . 12 1 1 A 26 26 LYS CB C 24 34.567 32.816 1.751 1 1 268 . 12 1 1 A 26 26 LYS N N 24 127.843 121.850 5.993 1 1 269 . 12 1 1 A 27 27 HIS H H 25 7.237 7.520 -0.283 1 1 270 . 12 1 1 A 27 27 HIS HA H 25 4.979 4.851 0.128 1 1 275 . 12 1 1 A 27 27 HIS C C 25 178.434 172.493 5.941 1 1 276 . 12 1 1 A 27 27 HIS CA C 25 55.406 54.924 0.482 1 1 277 . 12 1 1 A 27 27 HIS CB C 25 32.480 31.442 1.038 1 1 280 . 12 1 1 A 27 27 HIS N N 25 109.556 114.116 -4.560 1 1 281 . 12 1 1 A 28 28 LEU H H 26 8.189 8.771 -0.582 1 1 282 . 12 1 1 A 28 28 LEU HA H 26 5.190 5.242 -0.052 1 1 292 . 12 1 1 A 28 28 LEU C C 26 175.510 175.422 0.088 1 1 293 . 12 1 1 A 28 28 LEU CA C 26 53.480 53.484 -0.004 1 1 294 . 12 1 1 A 28 28 LEU CB C 26 45.235 45.076 0.159 1 1 298 . 12 1 1 A 28 28 LEU N N 26 117.260 119.716 -2.456 1 1 299 . 12 1 1 A 29 29 LYS H H 27 9.572 8.963 0.609 1 1 300 . 12 1 1 A 29 29 LYS HA H 27 5.372 5.175 0.197 1 1 309 . 12 1 1 A 29 29 LYS C C 27 174.801 174.388 0.413 1 1 310 . 12 1 1 A 29 29 LYS CA C 27 55.165 54.883 0.282 1 1 311 . 12 1 1 A 29 29 LYS CB C 27 35.253 35.452 -0.199 1 1 315 . 12 1 1 A 29 29 LYS N N 27 123.488 123.278 0.210 1 1 316 . 12 1 1 A 30 30 ILE H H 28 9.136 9.000 0.136 1 1 317 . 12 1 1 A 30 30 ILE HA H 28 4.926 4.894 0.032 1 1 327 . 12 1 1 A 30 30 ILE C C 28 176.949 175.309 1.640 1 1 328 . 12 1 1 A 30 30 ILE CA C 28 60.542 59.187 1.355 1 1 329 . 12 1 1 A 30 30 ILE CB C 28 39.600 39.051 0.549 1 1 333 . 12 1 1 A 30 30 ILE N N 28 123.846 127.827 -3.981 1 1 334 . 12 1 1 A 31 31 LEU H H 29 8.830 9.249 -0.419 1 1 335 . 12 1 1 A 31 31 LEU HA H 29 4.535 4.936 -0.401 1 1 344 . 12 1 1 A 31 31 LEU C C 29 176.012 174.963 1.049 1 1 345 . 12 1 1 A 31 31 LEU CA C 29 55.366 53.568 1.798 1 1 346 . 12 1 1 A 31 31 LEU CB C 29 43.180 44.092 -0.912 1 1 349 . 12 1 1 A 31 31 LEU N N 29 128.649 126.658 1.991 1 1 350 . 12 1 1 A 32 32 ASN H H 30 8.216 8.946 -0.730 1 1 351 . 12 1 1 A 32 32 ASN HA H 30 5.013 5.068 -0.055 1 1 356 . 12 1 1 A 32 32 ASN C C 30 174.664 173.724 0.940 1 1 357 . 12 1 1 A 32 32 ASN CA C 30 52.517 51.813 0.704 1 1 358 . 12 1 1 A 32 32 ASN CB C 30 38.776 39.529 -0.753 1 1 359 . 12 1 1 A 32 32 ASN N N 30 120.791 123.717 -2.926 1 1 361 . 12 1 1 A 33 33 THR H H 31 7.883 8.650 -0.767 1 1 362 . 12 1 1 A 33 33 THR HA H 31 4.842 4.624 0.218 1 1 367 . 12 1 1 A 33 33 THR CA C 31 58.369 60.566 -2.197 1 1 368 . 12 1 1 A 33 33 THR CB C 31 70.018 68.902 1.116 1 1 370 . 12 1 1 A 33 33 THR N N 31 115.811 122.603 -6.792 1 1 371 . 12 1 1 A 34 34 PRO HA H 32 4.317 4.204 0.113 1 1 378 . 12 1 1 A 34 34 PRO CA C 32 65.164 65.530 -0.366 1 1 379 . 12 1 1 A 34 34 PRO CB C 32 32.484 31.843 0.641 1 1 382 . 12 1 1 A 35 35 ASN H H 33 8.254 8.207 0.047 1 1 383 . 12 1 1 A 35 35 ASN HA H 33 4.651 5.027 -0.376 1 1 388 . 12 1 1 A 35 35 ASN C C 33 174.710 174.367 0.343 1 1 389 . 12 1 1 A 35 35 ASN CA C 33 54.532 52.200 2.332 1 1 390 . 12 1 1 A 35 35 ASN CB C 33 39.167 39.204 -0.037 1 1 391 . 12 1 1 A 35 35 ASN N N 33 120.081 113.279 6.802 1 1 393 . 12 1 1 A 36 36 CYS H H 34 7.548 7.988 -0.440 1 1 394 . 12 1 1 A 36 36 CYS HA H 34 4.694 4.927 -0.233 1 1 397 . 12 1 1 A 36 36 CYS C C 34 173.865 174.169 -0.304 1 1 398 . 12 1 1 A 36 36 CYS CA C 34 55.447 55.011 0.436 1 1 399 . 12 1 1 A 36 36 CYS CB C 34 45.228 45.207 0.021 1 1 400 . 12 1 1 A 36 36 CYS N N 34 117.076 119.087 -2.011 1 1 401 . 12 1 1 A 37 37 ALA H H 35 8.472 8.533 -0.061 1 1 402 . 12 1 1 A 37 37 ALA HA H 35 4.236 4.144 0.092 1 1 406 . 12 1 1 A 37 37 ALA C C 35 176.423 177.098 -0.675 1 1 407 . 12 1 1 A 37 37 ALA CA C 35 53.537 55.124 -1.587 1 1 408 . 12 1 1 A 37 37 ALA CB C 35 19.202 19.209 -0.007 1 1 409 . 12 1 1 A 37 37 ALA N N 35 125.153 126.090 -0.937 1 1 410 . 12 1 1 A 38 38 CYS H H 36 8.316 7.692 0.624 1 1 411 . 12 1 1 A 38 38 CYS HA H 36 4.196 4.760 -0.564 1 1 414 . 12 1 1 A 38 38 CYS C C 36 173.705 172.645 1.060 1 1 415 . 12 1 1 A 38 38 CYS CA C 36 58.616 58.019 0.597 1 1 416 . 12 1 1 A 38 38 CYS CB C 36 45.705 30.311 15.394 1 1 417 . 12 1 1 A 38 38 CYS N N 36 118.837 112.868 5.969 1 1 418 . 12 1 1 A 39 39 GLN H H 37 8.921 8.508 0.413 1 1 419 . 12 1 1 A 39 39 GLN HA H 37 4.609 4.970 -0.361 1 1 426 . 12 1 1 A 39 39 GLN C C 37 173.636 174.280 -0.644 1 1 427 . 12 1 1 A 39 39 GLN CA C 37 54.603 54.187 0.416 1 1 428 . 12 1 1 A 39 39 GLN CB C 37 31.761 32.901 -1.140 1 1 430 . 12 1 1 A 39 39 GLN N N 37 128.567 125.351 3.216 1 1 432 . 12 1 1 A 40 40 ILE H H 38 8.893 8.875 0.018 1 1 433 . 12 1 1 A 40 40 ILE HA H 38 5.068 4.872 0.196 1 1 443 . 12 1 1 A 40 40 ILE C C 38 174.390 175.424 -1.034 1 1 444 . 12 1 1 A 40 40 ILE CA C 38 60.582 59.920 0.662 1 1 445 . 12 1 1 A 40 40 ILE CB C 38 40.048 39.772 0.276 1 1 449 . 12 1 1 A 40 40 ILE N N 38 123.962 123.916 0.046 1 1 450 . 12 1 1 A 41 41 VAL H H 39 9.120 9.846 -0.726 1 1 451 . 12 1 1 A 41 41 VAL HA H 39 4.845 5.044 -0.199 1 1 459 . 12 1 1 A 41 41 VAL C C 39 175.487 174.399 1.088 1 1 460 . 12 1 1 A 41 41 VAL CA C 39 59.980 59.432 0.548 1 1 461 . 12 1 1 A 41 41 VAL CB C 39 35.868 34.749 1.119 1 1 464 . 12 1 1 A 41 41 VAL N N 39 126.354 122.443 3.911 1 1 465 . 12 1 1 A 42 42 ALA H H 40 9.513 9.226 0.287 1 1 466 . 12 1 1 A 42 42 ALA HA H 40 5.154 5.184 -0.030 1 1 470 . 12 1 1 A 42 42 ALA C C 40 175.944 175.843 0.101 1 1 471 . 12 1 1 A 42 42 ALA CA C 40 50.591 50.393 0.198 1 1 472 . 12 1 1 A 42 42 ALA CB C 40 22.432 23.230 -0.798 1 1 473 . 12 1 1 A 42 42 ALA N N 40 128.406 125.266 3.140 1 1 474 . 12 1 1 A 43 43 ARG H H 41 7.717 8.360 -0.643 1 1 475 . 12 1 1 A 43 43 ARG HA H 41 4.979 4.689 0.290 1 1 482 . 12 1 1 A 43 43 ARG C C 41 175.510 175.795 -0.285 1 1 483 . 12 1 1 A 43 43 ARG CA C 41 54.162 55.409 -1.247 1 1 484 . 12 1 1 A 43 43 ARG CB C 41 31.200 31.489 -0.289 1 1 487 . 12 1 1 A 43 43 ARG N N 41 121.663 120.601 1.062 1 1 488 . 12 1 1 A 44 44 LEU H H 42 9.163 8.858 0.305 1 1 489 . 12 1 1 A 44 44 LEU HA H 42 5.033 4.590 0.443 1 1 499 . 12 1 1 A 44 44 LEU C C 42 177.840 177.352 0.488 1 1 500 . 12 1 1 A 44 44 LEU CA C 42 54.724 54.515 0.209 1 1 501 . 12 1 1 A 44 44 LEU CB C 42 41.712 42.275 -0.563 1 1 505 . 12 1 1 A 44 44 LEU N N 42 129.087 125.593 3.494 1 1 506 . 12 1 1 A 45 45 LYS H H 43 8.417 8.966 -0.549 1 1 507 . 12 1 1 A 45 45 LYS HA H 43 3.950 4.118 -0.168 1 1 516 . 12 1 1 A 45 45 LYS CA C 43 59.016 58.682 0.334 1 1 517 . 12 1 1 A 45 45 LYS CB C 43 34.102 32.484 1.618 1 1 520 . 12 1 1 A 45 45 LYS N N 43 119.674 122.739 -3.065 1 1 521 . 12 1 1 A 48 48 ASN HA H 46 4.723 5.158 -0.435 1 1 526 . 12 1 1 A 48 48 ASN C C 46 175.098 173.912 1.186 1 1 527 . 12 1 1 A 48 48 ASN CA C 46 54.764 52.114 2.650 1 1 528 . 12 1 1 A 48 48 ASN CB C 46 39.265 40.319 -1.054 1 1 530 . 12 1 1 A 49 49 ARG H H 47 7.919 8.821 -0.902 1 1 531 . 12 1 1 A 49 49 ARG HA H 47 4.353 5.097 -0.744 1 1 538 . 12 1 1 A 49 49 ARG C C 47 175.601 174.619 0.982 1 1 539 . 12 1 1 A 49 49 ARG CA C 47 57.051 54.536 2.515 1 1 540 . 12 1 1 A 49 49 ARG CB C 47 32.121 31.748 0.373 1 1 543 . 12 1 1 A 49 49 ARG N N 47 119.826 116.818 3.008 1 1 544 . 12 1 1 A 50 50 GLN H H 48 8.547 8.459 0.088 1 1 545 . 12 1 1 A 50 50 GLN HA H 48 5.456 4.785 0.671 1 1 552 . 12 1 1 A 50 50 GLN C C 48 175.578 175.354 0.224 1 1 553 . 12 1 1 A 50 50 GLN CA C 48 55.125 54.969 0.156 1 1 554 . 12 1 1 A 50 50 GLN CB C 48 32.121 29.948 2.173 1 1 556 . 12 1 1 A 50 50 GLN N N 48 120.767 116.377 4.390 1 1 558 . 12 1 1 A 51 51 VAL H H 49 8.630 9.095 -0.465 1 1 559 . 12 1 1 A 51 51 VAL HA H 49 4.826 4.876 -0.050 1 1 567 . 12 1 1 A 51 51 VAL C C 49 175.258 174.648 0.610 1 1 568 . 12 1 1 A 51 51 VAL CA C 49 59.338 59.218 0.120 1 1 569 . 12 1 1 A 51 51 VAL CB C 49 36.155 35.093 1.062 1 1 572 . 12 1 1 A 51 51 VAL N N 49 116.678 117.571 -0.893 1 1 573 . 12 1 1 A 52 52 CYS H H 50 9.100 8.919 0.181 1 1 574 . 12 1 1 A 52 52 CYS HA H 50 5.301 5.250 0.051 1 1 577 . 12 1 1 A 52 52 CYS C C 50 174.527 173.268 1.259 1 1 578 . 12 1 1 A 52 52 CYS CA C 50 58.054 54.945 3.109 1 1 579 . 12 1 1 A 52 52 CYS CB C 50 43.375 43.830 -0.455 1 1 580 . 12 1 1 A 52 52 CYS N N 50 124.549 119.962 4.587 1 1 581 . 12 1 1 A 53 53 ILE H H 51 8.485 9.406 -0.921 1 1 582 . 12 1 1 A 53 53 ILE HA H 51 4.964 4.807 0.157 1 1 592 . 12 1 1 A 53 53 ILE C C 51 173.019 175.078 -2.059 1 1 593 . 12 1 1 A 53 53 ILE CA C 51 58.897 59.881 -0.984 1 1 594 . 12 1 1 A 53 53 ILE CB C 51 42.201 40.932 1.269 1 1 598 . 12 1 1 A 53 53 ILE N N 51 122.581 124.575 -1.994 1 1 599 . 12 1 1 A 54 54 ASP H H 52 7.661 8.291 -0.630 1 1 600 . 12 1 1 A 54 54 ASP HA H 52 3.642 4.448 -0.806 1 1 603 . 12 1 1 A 54 54 ASP CA C 52 51.574 51.797 -0.223 1 1 604 . 12 1 1 A 54 54 ASP CB C 52 42.515 41.844 0.671 1 1 605 . 12 1 1 A 54 54 ASP N N 52 125.772 126.406 -0.634 1 1 606 . 12 1 1 A 55 55 PRO HA H 53 4.025 4.277 -0.252 1 1 613 . 12 1 1 A 55 55 PRO C C 53 176.126 176.449 -0.323 1 1 614 . 12 1 1 A 55 55 PRO CA C 53 63.993 64.072 -0.079 1 1 615 . 12 1 1 A 55 55 PRO CB C 53 33.002 31.631 1.371 1 1 618 . 12 1 1 A 56 56 LYS H H 54 7.931 8.009 -0.078 1 1 619 . 12 1 1 A 56 56 LYS HA H 54 3.988 4.347 -0.359 1 1 628 . 12 1 1 A 56 56 LYS C C 54 177.931 176.089 1.842 1 1 629 . 12 1 1 A 56 56 LYS CA C 54 56.770 55.627 1.143 1 1 630 . 12 1 1 A 56 56 LYS CB C 54 32.023 32.657 -0.634 1 1 634 . 12 1 1 A 56 56 LYS N N 54 112.924 116.249 -3.325 1 1 635 . 12 1 1 A 57 57 LEU H H 55 7.162 7.218 -0.056 1 1 636 . 12 1 1 A 57 57 LEU HA H 55 4.059 4.110 -0.051 1 1 646 . 12 1 1 A 57 57 LEU C C 55 179.416 177.689 1.727 1 1 647 . 12 1 1 A 57 57 LEU CA C 55 56.088 55.063 1.025 1 1 648 . 12 1 1 A 57 57 LEU CB C 55 42.191 42.169 0.022 1 1 652 . 12 1 1 A 57 57 LEU N N 55 120.593 120.984 -0.391 1 1 653 . 12 1 1 A 58 58 LYS H H 56 8.720 8.850 -0.130 1 1 654 . 12 1 1 A 58 58 LYS HA H 56 3.920 3.817 0.103 1 1 663 . 12 1 1 A 58 58 LYS C C 56 178.937 177.996 0.941 1 1 664 . 12 1 1 A 58 58 LYS CA C 56 60.301 59.637 0.664 1 1 665 . 12 1 1 A 58 58 LYS CB C 56 32.121 32.394 -0.273 1 1 669 . 12 1 1 A 58 58 LYS N N 56 125.479 124.612 0.867 1 1 670 . 12 1 1 A 59 59 TRP H H 57 7.811 8.381 -0.570 1 1 671 . 12 1 1 A 59 59 TRP HA H 57 4.664 4.466 0.198 1 1 680 . 12 1 1 A 59 59 TRP C C 57 178.868 179.236 -0.368 1 1 681 . 12 1 1 A 59 59 TRP CA C 57 58.897 59.979 -1.082 1 1 682 . 12 1 1 A 59 59 TRP CB C 57 28.036 27.877 0.159 1 1 688 . 12 1 1 A 59 59 TRP N N 57 113.433 119.253 -5.820 1 1 690 . 12 1 1 A 60 60 ILE H H 58 6.467 7.455 -0.988 1 1 691 . 12 1 1 A 60 60 ILE HA H 58 3.325 3.396 -0.071 1 1 701 . 12 1 1 A 60 60 ILE C C 58 177.726 177.885 -0.159 1 1 702 . 12 1 1 A 60 60 ILE CA C 58 64.314 64.444 -0.130 1 1 703 . 12 1 1 A 60 60 ILE CB C 58 35.897 36.850 -0.953 1 1 707 . 12 1 1 A 60 60 ILE N N 58 124.379 122.403 1.976 1 1 708 . 12 1 1 A 61 61 GLN H H 59 7.624 8.695 -1.071 1 1 709 . 12 1 1 A 61 61 GLN HA H 59 3.755 3.883 -0.128 1 1 716 . 12 1 1 A 61 61 GLN C C 59 178.434 178.501 -0.067 1 1 717 . 12 1 1 A 61 61 GLN CA C 59 59.379 59.469 -0.090 1 1 718 . 12 1 1 A 61 61 GLN CB C 59 28.602 28.189 0.413 1 1 720 . 12 1 1 A 61 61 GLN N N 59 119.070 118.279 0.791 1 1 722 . 12 1 1 A 62 62 GLU H H 60 8.064 8.369 -0.305 1 1 723 . 12 1 1 A 62 62 GLU HA H 60 4.087 4.132 -0.045 1 1 728 . 12 1 1 A 62 62 GLU C C 60 179.051 178.530 0.521 1 1 729 . 12 1 1 A 62 62 GLU CA C 60 59.659 59.446 0.213 1 1 730 . 12 1 1 A 62 62 GLU CB C 60 30.457 29.245 1.212 1 1 732 . 12 1 1 A 62 62 GLU N N 60 117.166 118.593 -1.427 1 1 733 . 12 1 1 A 63 63 TYR H H 61 7.924 7.900 0.024 1 1 734 . 12 1 1 A 63 63 TYR HA H 61 4.254 4.290 -0.036 1 1 741 . 12 1 1 A 63 63 TYR C C 61 178.617 177.390 1.227 1 1 742 . 12 1 1 A 63 63 TYR CA C 61 61.184 61.623 -0.439 1 1 743 . 12 1 1 A 63 63 TYR CB C 61 39.461 38.592 0.869 1 1 746 . 12 1 1 A 63 63 TYR N N 61 121.271 122.407 -1.136 1 1 747 . 12 1 1 A 64 64 LEU H H 62 8.260 9.018 -0.758 1 1 748 . 12 1 1 A 64 64 LEU HA H 62 3.966 4.000 -0.034 1 1 758 . 12 1 1 A 64 64 LEU C C 62 179.553 178.923 0.630 1 1 759 . 12 1 1 A 64 64 LEU CA C 62 58.014 57.961 0.053 1 1 760 . 12 1 1 A 64 64 LEU CB C 62 42.397 41.276 1.121 1 1 764 . 12 1 1 A 64 64 LEU N N 62 116.299 120.063 -3.764 1 1 765 . 12 1 1 A 65 65 GLU H H 63 8.454 8.264 0.190 1 1 766 . 12 1 1 A 65 65 GLU HA H 63 3.854 3.930 -0.076 1 1 771 . 12 1 1 A 65 65 GLU C C 63 179.279 179.133 0.146 1 1 772 . 12 1 1 A 65 65 GLU CA C 63 60.301 59.844 0.457 1 1 773 . 12 1 1 A 65 65 GLU CB C 63 29.870 29.194 0.676 1 1 775 . 12 1 1 A 65 65 GLU N N 63 118.616 119.838 -1.222 1 1 776 . 12 1 1 A 66 66 LYS H H 64 7.575 8.075 -0.500 1 1 777 . 12 1 1 A 66 66 LYS HA H 64 4.225 4.061 0.164 1 1 786 . 12 1 1 A 66 66 LYS C C 64 178.457 178.724 -0.267 1 1 787 . 12 1 1 A 66 66 LYS CA C 64 58.496 59.223 -0.727 1 1 788 . 12 1 1 A 66 66 LYS CB C 64 32.400 31.952 0.448 1 1 792 . 12 1 1 A 66 66 LYS N N 64 117.166 118.937 -1.771 1 1 793 . 12 1 1 A 67 67 CYS H H 65 7.918 7.869 0.049 1 1 794 . 12 1 1 A 67 67 CYS HA H 65 4.526 4.090 0.436 1 1 797 . 12 1 1 A 67 67 CYS C C 65 174.893 177.566 -2.673 1 1 798 . 12 1 1 A 67 67 CYS CA C 65 56.329 62.169 -5.840 1 1 799 . 12 1 1 A 67 67 CYS CB C 65 45.235 27.423 17.812 1 1 800 . 12 1 1 A 67 67 CYS N N 65 115.330 118.574 -3.244 1 1 801 . 12 1 1 A 68 68 LEU H H 66 7.559 7.860 -0.301 1 1 802 . 12 1 1 A 68 68 LEU HA H 66 4.491 4.103 0.388 1 1 812 . 12 1 1 A 68 68 LEU C C 66 176.812 177.790 -0.978 1 1 813 . 12 1 1 A 68 68 LEU CA C 66 55.366 57.896 -2.530 1 1 814 . 12 1 1 A 68 68 LEU CB C 66 43.278 41.576 1.702 1 1 818 . 12 1 1 A 68 68 LEU N N 66 120.930 122.385 -1.455 1 1 819 . 12 1 1 A 69 69 ASN H H 67 8.265 8.041 0.224 1 1 820 . 12 1 1 A 69 69 ASN HA H 67 4.669 5.049 -0.380 1 1 825 . 12 1 1 A 69 69 ASN CA C 67 53.761 54.776 -1.015 1 1 826 . 12 1 1 A 69 69 ASN CB C 67 39.069 40.266 -1.197 1 1 827 . 12 1 1 A 69 69 ASN N N 67 120.279 115.089 5.190 1 1 852 . 12 2 2 B 4 4 GLU H H 102 8.342 9.376 -1.034 1 1 853 . 12 2 2 B 4 4 GLU HA H 102 4.282 4.027 0.255 1 1 858 . 12 2 2 B 4 4 GLU C C 102 177.132 176.697 0.435 1 1 859 . 12 2 2 B 4 4 GLU CA C 102 57.410 57.419 -0.009 1 1 861 . 12 2 2 B 4 4 GLU N N 102 121.884 125.566 -3.682 1 1 862 . 12 2 2 B 5 5 GLY H H 103 8.331 8.302 0.029 1 1 863 . 12 2 2 B 5 5 GLY HA2 H 103 3.960 4.087 -0.127 1 1 864 . 12 2 2 B 5 5 GLY HA3 H 103 3.960 4.089 -0.129 1 1 865 . 12 2 2 B 5 5 GLY C C 103 174.207 174.773 -0.566 1 1 866 . 12 2 2 B 5 5 GLY CA C 103 45.731 45.814 -0.083 1 1 867 . 12 2 2 B 5 5 GLY N N 103 110.055 108.651 1.404 1 1 868 . 12 2 2 B 6 6 ILE H H 104 7.831 7.990 -0.159 1 1 869 . 12 2 2 B 6 6 ILE HA H 104 4.286 3.931 0.355 1 1 879 . 12 2 2 B 6 6 ILE C C 104 176.401 175.180 1.221 1 1 880 . 12 2 2 B 6 6 ILE CA C 104 61.558 61.661 -0.103 1 1 881 . 12 2 2 B 6 6 ILE CB C 104 39.436 37.637 1.799 1 1 885 . 12 2 2 B 6 6 ILE N N 104 119.606 120.819 -1.213 1 1 886 . 12 2 2 B 7 7 SER H H 105 8.350 8.542 -0.192 1 1 887 . 12 2 2 B 7 7 SER HA H 105 4.545 4.935 -0.390 1 1 890 . 12 2 2 B 7 7 SER C C 105 174.550 173.610 0.940 1 1 891 . 12 2 2 B 7 7 SER CA C 105 58.667 57.606 1.061 1 1 892 . 12 2 2 B 7 7 SER CB C 105 64.072 64.379 -0.307 1 1 893 . 12 2 2 B 7 7 SER N N 105 119.853 123.958 -4.105 1 1 894 . 12 2 2 B 8 8 ILE H H 106 7.921 8.813 -0.892 1 1 895 . 12 2 2 B 8 8 ILE HA H 106 4.205 4.474 -0.269 1 1 905 . 12 2 2 B 8 8 ILE C C 106 175.921 174.831 1.090 1 1 906 . 12 2 2 B 8 8 ILE CA C 106 61.935 59.823 2.112 1 1 907 . 12 2 2 B 8 8 ILE CB C 106 39.436 39.880 -0.444 1 1 911 . 12 2 2 B 8 8 ILE N N 106 121.730 125.331 -3.601 1 1 912 . 12 2 2 B 9 9 TYR H H 107 8.166 8.628 -0.462 1 1 913 . 12 2 2 B 9 9 TYR HA H 107 4.713 4.648 0.065 1 1 920 . 12 2 2 B 9 9 TYR C C 107 176.058 175.733 0.325 1 1 921 . 12 2 2 B 9 9 TYR CA C 107 58.165 57.813 0.352 1 1 922 . 12 2 2 B 9 9 TYR CB C 107 39.436 39.328 0.108 1 1 925 . 12 2 2 B 9 9 TYR N N 107 123.598 125.293 -1.695 1 1 926 . 12 2 2 B 10 10 THR H H 108 7.961 8.339 -0.378 1 1 927 . 12 2 2 B 10 10 THR HA H 108 4.433 3.859 0.574 1 1 932 . 12 2 2 B 10 10 THR C C 108 174.459 174.208 0.251 1 1 933 . 12 2 2 B 10 10 THR CA C 108 62.061 66.027 -3.966 1 1 934 . 12 2 2 B 10 10 THR CB C 108 70.608 66.890 3.718 1 1 936 . 12 2 2 B 10 10 THR N N 108 115.642 111.762 3.880 1 1 937 . 12 2 2 B 11 11 SER H H 109 8.211 8.386 -0.175 1 1 938 . 12 2 2 B 11 11 SER HA H 109 4.507 4.608 -0.101 1 1 941 . 12 2 2 B 11 11 SER C C 109 174.504 173.260 1.244 1 1 942 . 12 2 2 B 11 11 SER CA C 109 58.919 57.288 1.631 1 1 943 . 12 2 2 B 11 11 SER CB C 109 64.198 61.765 2.433 1 1 944 . 12 2 2 B 11 11 SER N N 109 117.260 114.524 2.736 1 1 945 . 12 2 2 B 12 12 ASP H H 110 8.351 8.281 0.070 1 1 946 . 12 2 2 B 12 12 ASP HA H 110 4.631 4.850 -0.219 1 1 949 . 12 2 2 B 12 12 ASP C C 110 176.058 175.902 0.156 1 1 950 . 12 2 2 B 12 12 ASP CA C 110 55.022 54.506 0.516 1 1 951 . 12 2 2 B 12 12 ASP CB C 110 41.825 40.961 0.864 1 1 952 . 12 2 2 B 12 12 ASP N N 110 122.020 124.017 -1.997 1 1 953 . 12 2 2 B 13 13 ASN H H 111 8.230 8.703 -0.473 1 1 954 . 12 2 2 B 13 13 ASN HA H 111 4.726 5.151 -0.425 1 1 957 . 12 2 2 B 13 13 ASN C C 111 175.030 175.649 -0.619 1 1 958 . 12 2 2 B 13 13 ASN CA C 111 53.765 52.771 0.994 1 1 959 . 12 2 2 B 13 13 ASN CB C 111 39.562 39.291 0.271 1 1 960 . 12 2 2 B 13 13 ASN N N 111 118.317 123.900 -5.583 1 1 961 . 12 2 2 B 14 14 TYR H H 112 8.101 8.234 -0.133 1 1 962 . 12 2 2 B 14 14 TYR HA H 112 4.638 4.531 0.107 1 1 969 . 12 2 2 B 14 14 TYR C C 112 176.081 175.647 0.434 1 1 970 . 12 2 2 B 14 14 TYR CA C 112 58.793 59.697 -0.904 1 1 971 . 12 2 2 B 14 14 TYR CB C 112 39.436 39.145 0.291 1 1 974 . 12 2 2 B 14 14 TYR N N 112 120.850 120.444 0.406 1 1 975 . 12 2 2 B 15 15 THR H H 113 7.879 8.107 -0.228 1 1 976 . 12 2 2 B 15 15 THR HA H 113 4.284 3.974 0.310 1 1 981 . 12 2 2 B 15 15 THR C C 113 174.413 174.573 -0.160 1 1 982 . 12 2 2 B 15 15 THR CA C 113 62.187 62.965 -0.778 1 1 983 . 12 2 2 B 15 15 THR CB C 113 70.341 66.423 3.918 1 1 985 . 12 2 2 B 15 15 THR N N 113 116.126 114.982 1.144 1 1 986 . 12 2 2 B 16 16 GLU H H 114 8.253 8.028 0.225 1 1 987 . 12 2 2 B 16 16 GLU HA H 114 4.256 4.477 -0.221 1 1 992 . 12 2 2 B 16 16 GLU C C 114 176.766 175.545 1.221 1 1 993 . 12 2 2 B 16 16 GLU CA C 114 57.410 56.323 1.087 1 1 994 . 12 2 2 B 16 16 GLU CB C 114 30.620 28.989 1.631 1 1 996 . 12 2 2 B 16 16 GLU N N 114 123.052 122.160 0.892 1 1 997 . 12 2 2 B 17 17 GLU H H 115 8.331 8.474 -0.143 1 1 998 . 12 2 2 B 17 17 GLU HA H 115 4.292 4.493 -0.201 1 1 1003 . 12 2 2 B 17 17 GLU C C 115 176.880 175.329 1.551 1 1 1004 . 12 2 2 B 17 17 GLU CA C 115 57.410 56.380 1.030 1 1 1005 . 12 2 2 B 17 17 GLU CB C 115 30.525 31.940 -1.415 1 1 1007 . 12 2 2 B 17 17 GLU N N 115 121.688 124.823 -3.135 1 1 1008 . 12 2 2 B 18 18 MET H H 116 8.317 9.126 -0.809 1 1 1009 . 12 2 2 B 18 18 MET HA H 116 4.490 4.485 0.005 1 1 1014 . 12 2 2 B 18 18 MET C C 116 177.086 174.558 2.528 1 1 1015 . 12 2 2 B 18 18 MET CA C 116 56.279 55.770 0.509 1 1 1016 . 12 2 2 B 18 18 MET CB C 116 33.026 31.690 1.336 1 1 1017 . 12 2 2 B 18 18 MET N N 116 121.270 126.694 -5.424 1 1 1018 . 12 2 2 B 19 19 GLY H H 117 8.320 8.879 -0.559 1 1 1019 . 12 2 2 B 19 19 GLY HA2 H 117 4.054 4.248 -0.194 1 1 1020 . 12 2 2 B 19 19 GLY HA3 H 117 4.054 4.266 -0.212 1 1 1021 . 12 2 2 B 19 19 GLY C C 117 174.481 172.363 2.118 1 1 1022 . 12 2 2 B 19 19 GLY CA C 117 45.847 45.953 -0.106 1 1 1023 . 12 2 2 B 19 19 GLY N N 117 110.055 110.603 -0.548 1 1 1024 . 12 2 2 B 20 20 SER H H 118 8.230 8.652 -0.422 1 1 1025 . 12 2 2 B 20 20 SER HA H 118 4.476 4.809 -0.333 1 1 1028 . 12 2 2 B 20 20 SER C C 118 175.327 173.958 1.369 1 1 1029 . 12 2 2 B 20 20 SER CA C 118 58.919 58.003 0.916 1 1 1030 . 12 2 2 B 20 20 SER CB C 118 64.575 64.673 -0.098 1 1 1031 . 12 2 2 B 20 20 SER N N 118 115.664 115.855 -0.191 1 1 1032 . 12 2 2 B 21 21 GLY H H 119 8.371 8.334 0.037 1 1 1033 . 12 2 2 B 21 21 GLY HA2 H 119 3.951 4.220 -0.269 1 1 1034 . 12 2 2 B 21 21 GLY HA3 H 119 3.951 4.221 -0.270 1 1 1035 . 12 2 2 B 21 21 GLY C C 119 174.002 172.391 1.611 1 1 1036 . 12 2 2 B 21 21 GLY CA C 119 45.721 45.685 0.036 1 1 1037 . 12 2 2 B 21 21 GLY N N 119 110.872 107.557 3.315 1 1 1068 . 12 2 2 B 25 25 SER H H 123 8.155 8.612 -0.457 1 1 1069 . 12 2 2 B 25 25 SER HA H 123 4.404 4.427 -0.023 1 1 1072 . 12 2 2 B 25 25 SER C C 123 175.075 173.457 1.618 1 1 1073 . 12 2 2 B 25 25 SER CA C 123 59.347 57.885 1.462 1 1 1074 . 12 2 2 B 25 25 SER CB C 123 63.879 62.739 1.140 1 1 1075 . 12 2 2 B 25 25 SER N N 123 116.126 118.124 -1.998 1 1 1076 . 12 2 2 B 26 26 MET H H 124 8.221 7.607 0.614 1 1 1077 . 12 2 2 B 26 26 MET HA H 124 4.482 4.886 -0.404 1 1 1082 . 12 2 2 B 26 26 MET C C 124 176.355 174.311 2.044 1 1 1083 . 12 2 2 B 26 26 MET CA C 124 56.279 55.053 1.226 1 1 1084 . 12 2 2 B 26 26 MET CB C 124 32.900 34.946 -2.046 1 1 1086 . 12 2 2 B 26 26 MET N N 124 121.210 119.246 1.964 1 1 1087 . 12 2 2 B 27 27 LYS H H 125 8.036 8.865 -0.829 1 1 1088 . 12 2 2 B 27 27 LYS HA H 125 4.333 4.992 -0.659 1 1 1097 . 12 2 2 B 27 27 LYS C C 125 176.355 174.793 1.562 1 1 1098 . 12 2 2 B 27 27 LYS CA C 125 56.656 54.249 2.407 1 1 1099 . 12 2 2 B 27 27 LYS CB C 125 33.529 36.420 -2.891 1 1 1103 . 12 2 2 B 27 27 LYS N N 125 121.457 125.660 -4.203 1 1 1104 . 12 2 2 B 28 28 GLU H H 126 8.205 8.900 -0.695 1 1 1105 . 12 2 2 B 28 28 GLU N N 126 122.740 117.980 4.760 1 1 1106 . 12 2 2 B 29 29 PRO HA H 127 4.377 4.511 -0.134 1 1 1113 . 12 2 2 B 29 29 PRO C C 127 176.812 177.183 -0.371 1 1 1114 . 12 2 2 B 29 29 PRO CA C 127 63.821 63.170 0.651 1 1 1115 . 12 2 2 B 29 29 PRO CB C 127 32.272 31.781 0.491 1 1 1118 . 12 2 2 B 30 30 ALA H H 128 8.273 8.654 -0.381 1 1 1119 . 12 2 2 B 30 30 ALA HA H 128 4.287 4.398 -0.111 1 1 1123 . 12 2 2 B 30 30 ALA C C 128 177.589 177.633 -0.044 1 1 1124 . 12 2 2 B 30 30 ALA CA C 128 52.873 52.341 0.532 1 1 1125 . 12 2 2 B 30 30 ALA CB C 128 19.703 19.297 0.406 1 1 1126 . 12 2 2 B 30 30 ALA N N 128 123.577 127.534 -3.957 1 1 1127 . 12 2 2 B 31 31 PHE H H 129 8.019 7.847 0.172 1 1 1128 . 12 2 2 B 31 31 PHE HA H 129 4.621 4.159 0.462 1 1 1135 . 12 2 2 B 31 31 PHE C C 129 175.624 175.555 0.069 1 1 1136 . 12 2 2 B 31 31 PHE CA C 129 58.039 60.894 -2.855 1 1 1137 . 12 2 2 B 31 31 PHE CB C 129 40.055 39.425 0.630 1 1 1140 . 12 2 2 B 31 31 PHE N N 129 118.994 118.762 0.232 1 1 1141 . 12 2 2 B 32 32 ARG H H 130 8.042 7.533 0.509 1 1 1142 . 12 2 2 B 32 32 ARG HA H 130 4.332 4.478 -0.146 1 1 1149 . 12 2 2 B 32 32 ARG C C 130 175.875 174.659 1.216 1 1 1150 . 12 2 2 B 32 32 ARG CA C 130 56.154 54.664 1.490 1 1 1151 . 12 2 2 B 32 32 ARG CB C 130 31.643 31.531 0.112 1 1 1154 . 12 2 2 B 32 32 ARG N N 130 122.929 119.178 3.751 1 1 1155 . 12 2 2 B 33 33 GLU H H 131 8.389 8.968 -0.579 1 1 1156 . 12 2 2 B 33 33 GLU HA H 131 4.276 4.855 -0.579 1 1 1161 . 12 2 2 B 33 33 GLU C C 131 176.766 174.733 2.033 1 1 1162 . 12 2 2 B 33 33 GLU CA C 131 57.285 55.510 1.775 1 1 1163 . 12 2 2 B 33 33 GLU CB C 131 30.512 30.282 0.230 1 1 1165 . 12 2 2 B 33 33 GLU N N 131 122.719 126.351 -3.632 1 1 1166 . 12 2 2 B 34 34 GLU H H 132 8.502 8.749 -0.247 1 1 1167 . 12 2 2 B 34 34 GLU HA H 132 4.275 5.046 -0.771 1 1 1172 . 12 2 2 B 34 34 GLU C C 132 176.560 174.150 2.410 1 1 1173 . 12 2 2 B 34 34 GLU CA C 132 57.400 55.384 2.016 1 1 1174 . 12 2 2 B 34 34 GLU CB C 132 30.526 31.943 -1.417 1 1 1176 . 12 2 2 B 34 34 GLU N N 132 122.122 122.415 -0.293 1 1 1177 . 12 2 2 B 35 35 ASN H H 133 8.362 9.086 -0.724 1 1 1178 . 12 2 2 B 35 35 ASN HA H 133 4.693 5.089 -0.396 1 1 1181 . 12 2 2 B 35 35 ASN C C 133 175.258 173.713 1.545 1 1 1182 . 12 2 2 B 35 35 ASN CA C 133 53.765 51.942 1.823 1 1 1183 . 12 2 2 B 35 35 ASN CB C 133 39.562 39.291 0.271 1 1 1184 . 12 2 2 B 35 35 ASN N N 133 119.552 124.166 -4.614 1 1 1185 . 12 2 2 B 36 36 ALA H H 134 8.155 8.839 -0.684 1 1 1186 . 12 2 2 B 36 36 ALA HA H 134 4.289 4.523 -0.234 1 1 1190 . 12 2 2 B 36 36 ALA C C 134 177.520 176.959 0.561 1 1 1191 . 12 2 2 B 36 36 ALA CA C 134 52.873 51.380 1.493 1 1 1192 . 12 2 2 B 36 36 ALA CB C 134 19.703 19.132 0.571 1 1 1193 . 12 2 2 B 36 36 ALA N N 134 124.376 127.870 -3.494 1 1 1194 . 12 2 2 B 37 37 ASN H H 135 8.210 8.903 -0.693 1 1 1195 . 12 2 2 B 37 37 ASN HA H 135 4.694 4.987 -0.293 1 1 1198 . 12 2 2 B 37 37 ASN C C 135 175.144 174.445 0.699 1 1 1199 . 12 2 2 B 37 37 ASN CA C 135 53.640 55.015 -1.375 1 1 1200 . 12 2 2 B 37 37 ASN CB C 135 39.311 40.414 -1.103 1 1 1201 . 12 2 2 B 37 37 ASN N N 135 117.103 122.719 -5.616 1 1 1202 . 12 2 2 B 38 38 PHE H H 136 7.997 8.146 -0.149 1 1 1203 . 12 2 2 B 38 38 PHE HA H 136 4.659 4.851 -0.192 1 1 1210 . 12 2 2 B 38 38 PHE C C 136 175.601 174.176 1.425 1 1 1211 . 12 2 2 B 38 38 PHE CA C 136 58.165 56.875 1.290 1 1 1212 . 12 2 2 B 38 38 PHE CB C 136 39.939 39.526 0.413 1 1 1215 . 12 2 2 B 38 38 PHE N N 136 120.229 119.477 0.752 1 1 1216 . 12 2 2 B 39 39 ASN H H 137 8.272 8.830 -0.558 1 1 1217 . 12 2 2 B 39 39 ASN HA H 137 4.733 5.376 -0.643 1 1 1220 . 12 2 2 B 39 39 ASN C C 137 174.047 172.942 1.105 1 1 1221 . 12 2 2 B 39 39 ASN CA C 137 53.891 51.034 2.857 1 1 1222 . 12 2 2 B 39 39 ASN CB C 137 39.688 42.183 -2.495 1 1 1223 . 12 2 2 B 39 39 ASN N N 137 120.594 123.296 -2.702 1 1 3 . 13 1 1 A 4 4 PRO HA H 2 4.509 4.585 -0.076 1 1 10 . 13 1 1 A 4 4 PRO C C 2 177.132 175.890 1.242 1 1 11 . 13 1 1 A 4 4 PRO CA C 2 63.529 62.402 1.127 1 1 12 . 13 1 1 A 4 4 PRO CB C 2 32.476 29.720 2.756 1 1 15 . 13 1 1 A 5 5 VAL H H 3 8.201 8.502 -0.301 1 1 16 . 13 1 1 A 5 5 VAL HA H 3 4.152 4.377 -0.225 1 1 24 . 13 1 1 A 5 5 VAL C C 3 176.423 175.218 1.205 1 1 25 . 13 1 1 A 5 5 VAL CA C 3 62.873 62.683 0.190 1 1 26 . 13 1 1 A 5 5 VAL CB C 3 33.455 35.206 -1.751 1 1 28 . 13 1 1 A 5 5 VAL N N 3 120.488 123.720 -3.232 1 1 29 . 13 1 1 A 6 6 SER H H 4 8.276 7.606 0.670 1 1 30 . 13 1 1 A 6 6 SER HA H 4 4.494 4.483 0.011 1 1 33 . 13 1 1 A 6 6 SER C C 4 174.687 173.050 1.637 1 1 34 . 13 1 1 A 6 6 SER CA C 4 58.375 58.283 0.092 1 1 35 . 13 1 1 A 6 6 SER CB C 4 64.295 61.340 2.955 1 1 36 . 13 1 1 A 6 6 SER N N 4 119.000 117.809 1.191 1 1 37 . 13 1 1 A 7 7 LEU H H 5 8.238 8.221 0.017 1 1 38 . 13 1 1 A 7 7 LEU HA H 5 4.406 4.941 -0.535 1 1 44 . 13 1 1 A 7 7 LEU C C 5 177.406 175.504 1.902 1 1 45 . 13 1 1 A 7 7 LEU CA C 5 55.766 53.950 1.816 1 1 46 . 13 1 1 A 7 7 LEU CB C 5 43.132 43.872 -0.740 1 1 48 . 13 1 1 A 7 7 LEU N N 5 124.704 127.968 -3.264 1 1 49 . 13 1 1 A 8 8 SER H H 6 8.148 8.765 -0.617 1 1 50 . 13 1 1 A 8 8 SER HA H 6 4.438 4.931 -0.493 1 1 53 . 13 1 1 A 8 8 SER C C 6 174.321 172.986 1.335 1 1 54 . 13 1 1 A 8 8 SER CA C 6 58.718 55.645 3.073 1 1 55 . 13 1 1 A 8 8 SER CB C 6 64.295 65.358 -1.063 1 1 56 . 13 1 1 A 8 8 SER N N 6 115.960 119.273 -3.313 1 1 57 . 13 1 1 A 9 9 TYR H H 7 7.954 8.374 -0.420 1 1 58 . 13 1 1 A 9 9 TYR HA H 7 4.585 5.033 -0.448 1 1 65 . 13 1 1 A 9 9 TYR C C 7 175.532 174.798 0.734 1 1 66 . 13 1 1 A 9 9 TYR CA C 7 58.335 56.974 1.361 1 1 67 . 13 1 1 A 9 9 TYR CB C 7 39.474 40.434 -0.960 1 1 70 . 13 1 1 A 9 9 TYR N N 7 121.884 121.112 0.772 1 1 71 . 13 1 1 A 10 10 ARG H H 8 8.117 7.536 0.581 1 1 72 . 13 1 1 A 10 10 ARG HA H 8 4.349 4.441 -0.092 1 1 79 . 13 1 1 A 10 10 ARG C C 8 175.898 175.562 0.336 1 1 80 . 13 1 1 A 10 10 ARG CA C 8 56.048 54.280 1.768 1 1 81 . 13 1 1 A 10 10 ARG CB C 8 31.492 31.363 0.129 1 1 84 . 13 1 1 A 10 10 ARG N N 8 121.977 120.358 1.619 1 1 85 . 13 1 1 A 11 11 CYS H H 9 8.127 8.734 -0.607 1 1 86 . 13 1 1 A 11 11 CYS HA H 9 4.984 4.906 0.078 1 1 89 . 13 1 1 A 11 11 CYS C C 9 177.771 173.847 3.924 1 1 90 . 13 1 1 A 11 11 CYS CA C 9 53.192 54.903 -1.711 1 1 91 . 13 1 1 A 11 11 CYS CB C 9 40.897 42.114 -1.217 1 1 92 . 13 1 1 A 11 11 CYS N N 9 121.209 119.704 1.505 1 1 93 . 13 1 1 A 12 12 PRO HA H 10 4.321 4.318 0.003 1 1 100 . 13 1 1 A 12 12 PRO CA C 10 65.478 64.043 1.435 1 1 101 . 13 1 1 A 12 12 PRO CB C 10 32.904 31.592 1.312 1 1 104 . 13 1 1 A 13 13 CYS H H 11 8.633 7.425 1.208 1 1 105 . 13 1 1 A 13 13 CYS C C 11 174.618 173.185 1.433 1 1 106 . 13 1 1 A 13 13 CYS N N 11 114.595 115.421 -0.826 1 1 107 . 13 1 1 A 14 14 ARG H H 12 8.236 8.692 -0.456 1 1 108 . 13 1 1 A 14 14 ARG HA H 12 4.067 4.074 -0.007 1 1 115 . 13 1 1 A 14 14 ARG C C 12 175.098 175.906 -0.808 1 1 116 . 13 1 1 A 14 14 ARG CA C 12 57.370 57.434 -0.064 1 1 117 . 13 1 1 A 14 14 ARG CB C 12 31.631 30.584 1.047 1 1 120 . 13 1 1 A 14 14 ARG N N 12 122.779 123.171 -0.392 1 1 121 . 13 1 1 A 15 15 PHE H H 13 7.615 7.641 -0.026 1 1 122 . 13 1 1 A 15 15 PHE HA H 13 4.510 4.757 -0.247 1 1 129 . 13 1 1 A 15 15 PHE C C 13 174.162 174.971 -0.809 1 1 130 . 13 1 1 A 15 15 PHE CA C 13 56.289 55.950 0.339 1 1 131 . 13 1 1 A 15 15 PHE CB C 13 41.320 42.328 -1.008 1 1 134 . 13 1 1 A 15 15 PHE N N 13 116.797 114.790 2.007 1 1 135 . 13 1 1 A 16 16 PHE H H 14 8.125 7.652 0.473 1 1 136 . 13 1 1 A 16 16 PHE HA H 14 4.767 5.161 -0.394 1 1 143 . 13 1 1 A 16 16 PHE C C 14 175.441 175.558 -0.117 1 1 144 . 13 1 1 A 16 16 PHE CA C 14 55.767 55.642 0.125 1 1 145 . 13 1 1 A 16 16 PHE CB C 14 41.320 40.587 0.733 1 1 148 . 13 1 1 A 16 16 PHE N N 14 118.930 118.202 0.728 1 1 149 . 13 1 1 A 17 17 GLU H H 15 8.836 9.672 -0.836 1 1 150 . 13 1 1 A 17 17 GLU HA H 15 4.579 4.452 0.127 1 1 155 . 13 1 1 A 17 17 GLU C C 15 176.857 175.987 0.870 1 1 156 . 13 1 1 A 17 17 GLU CA C 15 56.289 56.785 -0.496 1 1 157 . 13 1 1 A 17 17 GLU CB C 15 31.173 30.608 0.565 1 1 159 . 13 1 1 A 17 17 GLU N N 15 122.929 122.972 -0.043 1 1 160 . 13 1 1 A 18 18 SER H H 16 8.751 8.549 0.202 1 1 161 . 13 1 1 A 18 18 SER HA H 16 4.762 4.718 0.044 1 1 164 . 13 1 1 A 18 18 SER C C 16 177.497 174.483 3.014 1 1 165 . 13 1 1 A 18 18 SER CA C 16 59.328 60.042 -0.714 1 1 166 . 13 1 1 A 18 18 SER CB C 16 64.515 65.140 -0.625 1 1 167 . 13 1 1 A 18 18 SER N N 16 118.860 117.168 1.692 1 1 168 . 13 1 1 A 19 19 HIS H H 17 8.761 8.102 0.659 1 1 169 . 13 1 1 A 19 19 HIS HA H 17 4.859 4.753 0.106 1 1 174 . 13 1 1 A 19 19 HIS C C 17 174.618 174.514 0.104 1 1 175 . 13 1 1 A 19 19 HIS CA C 17 56.449 54.852 1.597 1 1 176 . 13 1 1 A 19 19 HIS CB C 17 29.870 27.707 2.163 1 1 179 . 13 1 1 A 19 19 HIS N N 17 120.535 117.265 3.270 1 1 180 . 13 1 1 A 20 20 VAL H H 18 7.157 8.776 -1.619 1 1 181 . 13 1 1 A 20 20 VAL HA H 18 4.181 4.640 -0.459 1 1 189 . 13 1 1 A 20 20 VAL C C 18 174.436 175.296 -0.860 1 1 190 . 13 1 1 A 20 20 VAL CA C 18 62.167 60.478 1.689 1 1 191 . 13 1 1 A 20 20 VAL CB C 18 34.426 35.079 -0.653 1 1 193 . 13 1 1 A 20 20 VAL N N 18 120.872 123.930 -3.058 1 1 194 . 13 1 1 A 21 21 ALA H H 19 8.521 8.740 -0.219 1 1 195 . 13 1 1 A 21 21 ALA HA H 19 4.372 4.247 0.125 1 1 199 . 13 1 1 A 21 21 ALA C C 19 177.657 177.952 -0.295 1 1 200 . 13 1 1 A 21 21 ALA CA C 19 51.193 52.355 -1.162 1 1 201 . 13 1 1 A 21 21 ALA CB C 19 19.790 19.090 0.700 1 1 202 . 13 1 1 A 21 21 ALA N N 19 131.339 128.333 3.006 1 1 203 . 13 1 1 A 22 22 ARG H H 20 7.790 8.199 -0.409 1 1 204 . 13 1 1 A 22 22 ARG HA H 20 2.445 2.653 -0.208 1 1 211 . 13 1 1 A 22 22 ARG C C 20 178.365 177.213 1.152 1 1 212 . 13 1 1 A 22 22 ARG CA C 20 59.379 58.438 0.941 1 1 213 . 13 1 1 A 22 22 ARG CB C 20 29.572 29.183 0.389 1 1 216 . 13 1 1 A 22 22 ARG N N 20 124.365 123.585 0.780 1 1 217 . 13 1 1 A 23 23 ALA H H 21 8.120 7.611 0.509 1 1 218 . 13 1 1 A 23 23 ALA HA H 21 4.060 4.144 -0.084 1 1 222 . 13 1 1 A 23 23 ALA C C 21 178.000 177.964 0.036 1 1 223 . 13 1 1 A 23 23 ALA CA C 21 54.100 53.240 0.860 1 1 224 . 13 1 1 A 23 23 ALA CB C 21 18.713 18.689 0.024 1 1 225 . 13 1 1 A 23 23 ALA N N 21 117.156 120.439 -3.283 1 1 226 . 13 1 1 A 24 24 ASN H H 22 7.717 7.820 -0.103 1 1 227 . 13 1 1 A 24 24 ASN HA H 22 5.010 4.726 0.284 1 1 232 . 13 1 1 A 24 24 ASN C C 22 174.938 174.845 0.093 1 1 233 . 13 1 1 A 24 24 ASN CA C 22 52.869 53.346 -0.477 1 1 234 . 13 1 1 A 24 24 ASN CB C 22 40.573 38.994 1.579 1 1 235 . 13 1 1 A 24 24 ASN N N 22 112.819 115.693 -2.874 1 1 237 . 13 1 1 A 25 25 VAL H H 23 7.489 7.426 0.063 1 1 238 . 13 1 1 A 25 25 VAL HA H 23 4.888 4.580 0.308 1 1 246 . 13 1 1 A 25 25 VAL C C 23 175.829 175.762 0.067 1 1 247 . 13 1 1 A 25 25 VAL CA C 23 59.870 60.555 -0.685 1 1 248 . 13 1 1 A 25 25 VAL CB C 23 35.396 33.272 2.124 1 1 251 . 13 1 1 A 25 25 VAL N N 23 119.721 117.073 2.648 1 1 252 . 13 1 1 A 26 26 LYS H H 24 9.479 9.386 0.093 1 1 253 . 13 1 1 A 26 26 LYS HA H 24 4.353 4.293 0.060 1 1 262 . 13 1 1 A 26 26 LYS C C 24 176.606 176.545 0.061 1 1 263 . 13 1 1 A 26 26 LYS CA C 24 58.977 57.708 1.269 1 1 264 . 13 1 1 A 26 26 LYS CB C 24 34.567 32.932 1.635 1 1 268 . 13 1 1 A 26 26 LYS N N 24 127.843 122.728 5.115 1 1 269 . 13 1 1 A 27 27 HIS H H 25 7.237 7.495 -0.258 1 1 270 . 13 1 1 A 27 27 HIS HA H 25 4.979 4.921 0.058 1 1 275 . 13 1 1 A 27 27 HIS C C 25 178.434 172.459 5.975 1 1 276 . 13 1 1 A 27 27 HIS CA C 25 55.406 54.831 0.575 1 1 277 . 13 1 1 A 27 27 HIS CB C 25 32.480 31.284 1.196 1 1 280 . 13 1 1 A 27 27 HIS N N 25 109.556 114.139 -4.583 1 1 281 . 13 1 1 A 28 28 LEU H H 26 8.189 8.672 -0.483 1 1 282 . 13 1 1 A 28 28 LEU HA H 26 5.190 5.368 -0.178 1 1 292 . 13 1 1 A 28 28 LEU C C 26 175.510 175.788 -0.278 1 1 293 . 13 1 1 A 28 28 LEU CA C 26 53.480 53.484 -0.004 1 1 294 . 13 1 1 A 28 28 LEU CB C 26 45.235 45.412 -0.177 1 1 298 . 13 1 1 A 28 28 LEU N N 26 117.260 119.726 -2.466 1 1 299 . 13 1 1 A 29 29 LYS H H 27 9.572 8.838 0.734 1 1 300 . 13 1 1 A 29 29 LYS HA H 27 5.372 4.936 0.436 1 1 309 . 13 1 1 A 29 29 LYS C C 27 174.801 174.349 0.452 1 1 310 . 13 1 1 A 29 29 LYS CA C 27 55.165 54.962 0.203 1 1 311 . 13 1 1 A 29 29 LYS CB C 27 35.253 35.961 -0.708 1 1 315 . 13 1 1 A 29 29 LYS N N 27 123.488 122.147 1.341 1 1 316 . 13 1 1 A 30 30 ILE H H 28 9.136 9.073 0.063 1 1 317 . 13 1 1 A 30 30 ILE HA H 28 4.926 5.023 -0.097 1 1 327 . 13 1 1 A 30 30 ILE C C 28 176.949 175.285 1.664 1 1 328 . 13 1 1 A 30 30 ILE CA C 28 60.542 59.508 1.034 1 1 329 . 13 1 1 A 30 30 ILE CB C 28 39.600 39.501 0.099 1 1 333 . 13 1 1 A 30 30 ILE N N 28 123.846 127.863 -4.017 1 1 334 . 13 1 1 A 31 31 LEU H H 29 8.830 9.061 -0.231 1 1 335 . 13 1 1 A 31 31 LEU HA H 29 4.535 4.992 -0.457 1 1 344 . 13 1 1 A 31 31 LEU C C 29 176.012 175.151 0.861 1 1 345 . 13 1 1 A 31 31 LEU CA C 29 55.366 53.964 1.402 1 1 346 . 13 1 1 A 31 31 LEU CB C 29 43.180 45.561 -2.381 1 1 349 . 13 1 1 A 31 31 LEU N N 29 128.649 126.896 1.753 1 1 350 . 13 1 1 A 32 32 ASN H H 30 8.216 8.827 -0.611 1 1 351 . 13 1 1 A 32 32 ASN HA H 30 5.013 5.381 -0.368 1 1 356 . 13 1 1 A 32 32 ASN C C 30 174.664 175.181 -0.517 1 1 357 . 13 1 1 A 32 32 ASN CA C 30 52.517 52.167 0.350 1 1 358 . 13 1 1 A 32 32 ASN CB C 30 38.776 40.325 -1.549 1 1 359 . 13 1 1 A 32 32 ASN N N 30 120.791 123.391 -2.600 1 1 361 . 13 1 1 A 33 33 THR H H 31 7.883 9.003 -1.120 1 1 362 . 13 1 1 A 33 33 THR HA H 31 4.842 4.969 -0.127 1 1 367 . 13 1 1 A 33 33 THR CA C 31 58.369 59.070 -0.701 1 1 368 . 13 1 1 A 33 33 THR CB C 31 70.018 69.709 0.309 1 1 370 . 13 1 1 A 33 33 THR N N 31 115.811 116.082 -0.271 1 1 371 . 13 1 1 A 34 34 PRO HA H 32 4.317 4.311 0.006 1 1 378 . 13 1 1 A 34 34 PRO CA C 32 65.164 65.245 -0.081 1 1 379 . 13 1 1 A 34 34 PRO CB C 32 32.484 31.968 0.516 1 1 382 . 13 1 1 A 35 35 ASN H H 33 8.254 8.381 -0.127 1 1 383 . 13 1 1 A 35 35 ASN HA H 33 4.651 4.892 -0.241 1 1 388 . 13 1 1 A 35 35 ASN C C 33 174.710 173.987 0.723 1 1 389 . 13 1 1 A 35 35 ASN CA C 33 54.532 52.918 1.614 1 1 390 . 13 1 1 A 35 35 ASN CB C 33 39.167 39.856 -0.689 1 1 391 . 13 1 1 A 35 35 ASN N N 33 120.081 113.519 6.562 1 1 393 . 13 1 1 A 36 36 CYS H H 34 7.548 7.931 -0.383 1 1 394 . 13 1 1 A 36 36 CYS HA H 34 4.694 4.968 -0.274 1 1 397 . 13 1 1 A 36 36 CYS C C 34 173.865 173.436 0.429 1 1 398 . 13 1 1 A 36 36 CYS CA C 34 55.447 54.630 0.817 1 1 399 . 13 1 1 A 36 36 CYS CB C 34 45.228 47.310 -2.082 1 1 400 . 13 1 1 A 36 36 CYS N N 34 117.076 118.953 -1.877 1 1 401 . 13 1 1 A 37 37 ALA H H 35 8.472 8.507 -0.035 1 1 402 . 13 1 1 A 37 37 ALA HA H 35 4.236 4.396 -0.160 1 1 406 . 13 1 1 A 37 37 ALA C C 35 176.423 176.693 -0.270 1 1 407 . 13 1 1 A 37 37 ALA CA C 35 53.537 51.804 1.733 1 1 408 . 13 1 1 A 37 37 ALA CB C 35 19.202 20.104 -0.902 1 1 409 . 13 1 1 A 37 37 ALA N N 35 125.153 124.900 0.253 1 1 410 . 13 1 1 A 38 38 CYS H H 36 8.316 8.479 -0.163 1 1 411 . 13 1 1 A 38 38 CYS HA H 36 4.196 5.324 -1.128 1 1 414 . 13 1 1 A 38 38 CYS C C 36 173.705 174.170 -0.465 1 1 415 . 13 1 1 A 38 38 CYS CA C 36 58.616 57.684 0.932 1 1 416 . 13 1 1 A 38 38 CYS CB C 36 45.705 28.925 16.780 1 1 417 . 13 1 1 A 38 38 CYS N N 36 118.837 117.967 0.870 1 1 418 . 13 1 1 A 39 39 GLN H H 37 8.921 8.410 0.511 1 1 419 . 13 1 1 A 39 39 GLN HA H 37 4.609 5.048 -0.439 1 1 426 . 13 1 1 A 39 39 GLN C C 37 173.636 174.515 -0.879 1 1 427 . 13 1 1 A 39 39 GLN CA C 37 54.603 54.296 0.307 1 1 428 . 13 1 1 A 39 39 GLN CB C 37 31.761 32.220 -0.459 1 1 430 . 13 1 1 A 39 39 GLN N N 37 128.567 125.278 3.289 1 1 432 . 13 1 1 A 40 40 ILE H H 38 8.893 8.494 0.399 1 1 433 . 13 1 1 A 40 40 ILE HA H 38 5.068 4.868 0.200 1 1 443 . 13 1 1 A 40 40 ILE C C 38 174.390 175.700 -1.310 1 1 444 . 13 1 1 A 40 40 ILE CA C 38 60.582 60.042 0.540 1 1 445 . 13 1 1 A 40 40 ILE CB C 38 40.048 38.475 1.573 1 1 449 . 13 1 1 A 40 40 ILE N N 38 123.962 125.274 -1.312 1 1 450 . 13 1 1 A 41 41 VAL H H 39 9.120 9.902 -0.782 1 1 451 . 13 1 1 A 41 41 VAL HA H 39 4.845 5.018 -0.173 1 1 459 . 13 1 1 A 41 41 VAL C C 39 175.487 174.366 1.121 1 1 460 . 13 1 1 A 41 41 VAL CA C 39 59.980 59.551 0.429 1 1 461 . 13 1 1 A 41 41 VAL CB C 39 35.868 34.282 1.586 1 1 464 . 13 1 1 A 41 41 VAL N N 39 126.354 123.380 2.974 1 1 465 . 13 1 1 A 42 42 ALA H H 40 9.513 9.173 0.340 1 1 466 . 13 1 1 A 42 42 ALA HA H 40 5.154 5.377 -0.223 1 1 470 . 13 1 1 A 42 42 ALA C C 40 175.944 175.736 0.208 1 1 471 . 13 1 1 A 42 42 ALA CA C 40 50.591 50.327 0.264 1 1 472 . 13 1 1 A 42 42 ALA CB C 40 22.432 23.388 -0.956 1 1 473 . 13 1 1 A 42 42 ALA N N 40 128.406 125.809 2.597 1 1 474 . 13 1 1 A 43 43 ARG H H 41 7.717 7.919 -0.202 1 1 475 . 13 1 1 A 43 43 ARG HA H 41 4.979 4.677 0.302 1 1 482 . 13 1 1 A 43 43 ARG C C 41 175.510 175.162 0.348 1 1 483 . 13 1 1 A 43 43 ARG CA C 41 54.162 55.643 -1.481 1 1 484 . 13 1 1 A 43 43 ARG CB C 41 31.200 30.817 0.383 1 1 487 . 13 1 1 A 43 43 ARG N N 41 121.663 120.632 1.031 1 1 488 . 13 1 1 A 44 44 LEU H H 42 9.163 8.697 0.466 1 1 489 . 13 1 1 A 44 44 LEU HA H 42 5.033 4.492 0.541 1 1 499 . 13 1 1 A 44 44 LEU C C 42 177.840 176.456 1.384 1 1 500 . 13 1 1 A 44 44 LEU CA C 42 54.724 54.739 -0.015 1 1 501 . 13 1 1 A 44 44 LEU CB C 42 41.712 42.236 -0.524 1 1 505 . 13 1 1 A 44 44 LEU N N 42 129.087 125.901 3.186 1 1 506 . 13 1 1 A 45 45 LYS H H 43 8.417 8.967 -0.550 1 1 507 . 13 1 1 A 45 45 LYS HA H 43 3.950 4.264 -0.314 1 1 516 . 13 1 1 A 45 45 LYS CA C 43 59.016 58.689 0.327 1 1 517 . 13 1 1 A 45 45 LYS CB C 43 34.102 33.001 1.101 1 1 520 . 13 1 1 A 45 45 LYS N N 43 119.674 122.616 -2.942 1 1 521 . 13 1 1 A 48 48 ASN HA H 46 4.723 4.998 -0.275 1 1 526 . 13 1 1 A 48 48 ASN C C 46 175.098 174.466 0.632 1 1 527 . 13 1 1 A 48 48 ASN CA C 46 54.764 54.676 0.088 1 1 528 . 13 1 1 A 48 48 ASN CB C 46 39.265 40.951 -1.686 1 1 530 . 13 1 1 A 49 49 ARG H H 47 7.919 8.101 -0.182 1 1 531 . 13 1 1 A 49 49 ARG HA H 47 4.353 4.640 -0.287 1 1 538 . 13 1 1 A 49 49 ARG C C 47 175.601 174.596 1.005 1 1 539 . 13 1 1 A 49 49 ARG CA C 47 57.051 54.812 2.239 1 1 540 . 13 1 1 A 49 49 ARG CB C 47 32.121 31.301 0.820 1 1 543 . 13 1 1 A 49 49 ARG N N 47 119.826 115.184 4.642 1 1 544 . 13 1 1 A 50 50 GLN H H 48 8.547 8.417 0.130 1 1 545 . 13 1 1 A 50 50 GLN HA H 48 5.456 4.918 0.538 1 1 552 . 13 1 1 A 50 50 GLN C C 48 175.578 175.604 -0.026 1 1 553 . 13 1 1 A 50 50 GLN CA C 48 55.125 55.141 -0.016 1 1 554 . 13 1 1 A 50 50 GLN CB C 48 32.121 30.613 1.508 1 1 556 . 13 1 1 A 50 50 GLN N N 48 120.767 117.307 3.460 1 1 558 . 13 1 1 A 51 51 VAL H H 49 8.630 9.219 -0.589 1 1 559 . 13 1 1 A 51 51 VAL HA H 49 4.826 4.753 0.073 1 1 567 . 13 1 1 A 51 51 VAL C C 49 175.258 174.431 0.827 1 1 568 . 13 1 1 A 51 51 VAL CA C 49 59.338 58.951 0.387 1 1 569 . 13 1 1 A 51 51 VAL CB C 49 36.155 34.952 1.203 1 1 572 . 13 1 1 A 51 51 VAL N N 49 116.678 115.396 1.282 1 1 573 . 13 1 1 A 52 52 CYS H H 50 9.100 8.814 0.286 1 1 574 . 13 1 1 A 52 52 CYS HA H 50 5.301 5.160 0.141 1 1 577 . 13 1 1 A 52 52 CYS C C 50 174.527 173.425 1.102 1 1 578 . 13 1 1 A 52 52 CYS CA C 50 58.054 55.159 2.895 1 1 579 . 13 1 1 A 52 52 CYS CB C 50 43.375 43.012 0.363 1 1 580 . 13 1 1 A 52 52 CYS N N 50 124.549 120.256 4.293 1 1 581 . 13 1 1 A 53 53 ILE H H 51 8.485 9.443 -0.958 1 1 582 . 13 1 1 A 53 53 ILE HA H 51 4.964 4.920 0.044 1 1 592 . 13 1 1 A 53 53 ILE C C 51 173.019 174.901 -1.882 1 1 593 . 13 1 1 A 53 53 ILE CA C 51 58.897 59.953 -1.056 1 1 594 . 13 1 1 A 53 53 ILE CB C 51 42.201 40.620 1.581 1 1 598 . 13 1 1 A 53 53 ILE N N 51 122.581 126.285 -3.704 1 1 599 . 13 1 1 A 54 54 ASP H H 52 7.661 8.247 -0.586 1 1 600 . 13 1 1 A 54 54 ASP HA H 52 3.642 4.510 -0.868 1 1 603 . 13 1 1 A 54 54 ASP CA C 52 51.574 51.648 -0.074 1 1 604 . 13 1 1 A 54 54 ASP CB C 52 42.515 41.724 0.791 1 1 605 . 13 1 1 A 54 54 ASP N N 52 125.772 125.929 -0.157 1 1 606 . 13 1 1 A 55 55 PRO HA H 53 4.025 4.302 -0.277 1 1 613 . 13 1 1 A 55 55 PRO C C 53 176.126 177.031 -0.905 1 1 614 . 13 1 1 A 55 55 PRO CA C 53 63.993 63.953 0.040 1 1 615 . 13 1 1 A 55 55 PRO CB C 53 33.002 31.601 1.401 1 1 618 . 13 1 1 A 56 56 LYS H H 54 7.931 7.670 0.261 1 1 619 . 13 1 1 A 56 56 LYS HA H 54 3.988 4.293 -0.305 1 1 628 . 13 1 1 A 56 56 LYS C C 54 177.931 176.638 1.293 1 1 629 . 13 1 1 A 56 56 LYS CA C 54 56.770 56.370 0.400 1 1 630 . 13 1 1 A 56 56 LYS CB C 54 32.023 33.257 -1.234 1 1 634 . 13 1 1 A 56 56 LYS N N 54 112.924 115.799 -2.875 1 1 635 . 13 1 1 A 57 57 LEU H H 55 7.162 7.035 0.127 1 1 636 . 13 1 1 A 57 57 LEU HA H 55 4.059 4.066 -0.007 1 1 646 . 13 1 1 A 57 57 LEU C C 55 179.416 177.982 1.434 1 1 647 . 13 1 1 A 57 57 LEU CA C 55 56.088 55.201 0.887 1 1 648 . 13 1 1 A 57 57 LEU CB C 55 42.191 42.330 -0.139 1 1 652 . 13 1 1 A 57 57 LEU N N 55 120.593 121.793 -1.200 1 1 653 . 13 1 1 A 58 58 LYS H H 56 8.720 9.040 -0.320 1 1 654 . 13 1 1 A 58 58 LYS HA H 56 3.920 3.847 0.073 1 1 663 . 13 1 1 A 58 58 LYS C C 56 178.937 178.013 0.924 1 1 664 . 13 1 1 A 58 58 LYS CA C 56 60.301 60.085 0.216 1 1 665 . 13 1 1 A 58 58 LYS CB C 56 32.121 32.601 -0.480 1 1 669 . 13 1 1 A 58 58 LYS N N 56 125.479 125.150 0.329 1 1 670 . 13 1 1 A 59 59 TRP H H 57 7.811 8.273 -0.462 1 1 671 . 13 1 1 A 59 59 TRP HA H 57 4.664 4.522 0.142 1 1 680 . 13 1 1 A 59 59 TRP C C 57 178.868 179.365 -0.497 1 1 681 . 13 1 1 A 59 59 TRP CA C 57 58.897 59.865 -0.968 1 1 682 . 13 1 1 A 59 59 TRP CB C 57 28.036 28.121 -0.085 1 1 688 . 13 1 1 A 59 59 TRP N N 57 113.433 119.383 -5.950 1 1 690 . 13 1 1 A 60 60 ILE H H 58 6.467 7.625 -1.158 1 1 691 . 13 1 1 A 60 60 ILE HA H 58 3.325 3.577 -0.252 1 1 701 . 13 1 1 A 60 60 ILE C C 58 177.726 177.738 -0.012 1 1 702 . 13 1 1 A 60 60 ILE CA C 58 64.314 64.882 -0.568 1 1 703 . 13 1 1 A 60 60 ILE CB C 58 35.897 37.008 -1.111 1 1 707 . 13 1 1 A 60 60 ILE N N 58 124.379 122.495 1.884 1 1 708 . 13 1 1 A 61 61 GLN H H 59 7.624 8.499 -0.875 1 1 709 . 13 1 1 A 61 61 GLN HA H 59 3.755 3.931 -0.176 1 1 716 . 13 1 1 A 61 61 GLN C C 59 178.434 178.869 -0.435 1 1 717 . 13 1 1 A 61 61 GLN CA C 59 59.379 59.420 -0.041 1 1 718 . 13 1 1 A 61 61 GLN CB C 59 28.602 28.379 0.223 1 1 720 . 13 1 1 A 61 61 GLN N N 59 119.070 118.982 0.088 1 1 722 . 13 1 1 A 62 62 GLU H H 60 8.064 8.297 -0.233 1 1 723 . 13 1 1 A 62 62 GLU HA H 60 4.087 4.121 -0.034 1 1 728 . 13 1 1 A 62 62 GLU C C 60 179.051 178.478 0.573 1 1 729 . 13 1 1 A 62 62 GLU CA C 60 59.659 59.321 0.338 1 1 730 . 13 1 1 A 62 62 GLU CB C 60 30.457 29.108 1.349 1 1 732 . 13 1 1 A 62 62 GLU N N 60 117.166 118.411 -1.245 1 1 733 . 13 1 1 A 63 63 TYR H H 61 7.924 8.154 -0.230 1 1 734 . 13 1 1 A 63 63 TYR HA H 61 4.254 4.253 0.001 1 1 741 . 13 1 1 A 63 63 TYR C C 61 178.617 177.537 1.080 1 1 742 . 13 1 1 A 63 63 TYR CA C 61 61.184 61.456 -0.272 1 1 743 . 13 1 1 A 63 63 TYR CB C 61 39.461 38.726 0.735 1 1 746 . 13 1 1 A 63 63 TYR N N 61 121.271 122.392 -1.121 1 1 747 . 13 1 1 A 64 64 LEU H H 62 8.260 9.014 -0.754 1 1 748 . 13 1 1 A 64 64 LEU HA H 62 3.966 4.034 -0.068 1 1 758 . 13 1 1 A 64 64 LEU C C 62 179.553 179.000 0.553 1 1 759 . 13 1 1 A 64 64 LEU CA C 62 58.014 58.075 -0.061 1 1 760 . 13 1 1 A 64 64 LEU CB C 62 42.397 41.440 0.957 1 1 764 . 13 1 1 A 64 64 LEU N N 62 116.299 120.155 -3.856 1 1 765 . 13 1 1 A 65 65 GLU H H 63 8.454 8.246 0.208 1 1 766 . 13 1 1 A 65 65 GLU HA H 63 3.854 3.950 -0.096 1 1 771 . 13 1 1 A 65 65 GLU C C 63 179.279 179.094 0.185 1 1 772 . 13 1 1 A 65 65 GLU CA C 63 60.301 59.794 0.507 1 1 773 . 13 1 1 A 65 65 GLU CB C 63 29.870 29.230 0.640 1 1 775 . 13 1 1 A 65 65 GLU N N 63 118.616 119.319 -0.703 1 1 776 . 13 1 1 A 66 66 LYS H H 64 7.575 7.836 -0.261 1 1 777 . 13 1 1 A 66 66 LYS HA H 64 4.225 4.071 0.154 1 1 786 . 13 1 1 A 66 66 LYS C C 64 178.457 178.911 -0.454 1 1 787 . 13 1 1 A 66 66 LYS CA C 64 58.496 59.204 -0.708 1 1 788 . 13 1 1 A 66 66 LYS CB C 64 32.400 31.889 0.511 1 1 792 . 13 1 1 A 66 66 LYS N N 64 117.166 118.741 -1.575 1 1 793 . 13 1 1 A 67 67 CYS H H 65 7.918 7.874 0.044 1 1 794 . 13 1 1 A 67 67 CYS HA H 65 4.526 4.083 0.443 1 1 797 . 13 1 1 A 67 67 CYS C C 65 174.893 177.112 -2.219 1 1 798 . 13 1 1 A 67 67 CYS CA C 65 56.329 63.459 -7.130 1 1 799 . 13 1 1 A 67 67 CYS CB C 65 45.235 27.154 18.081 1 1 800 . 13 1 1 A 67 67 CYS N N 65 115.330 118.326 -2.996 1 1 801 . 13 1 1 A 68 68 LEU H H 66 7.559 8.638 -1.079 1 1 802 . 13 1 1 A 68 68 LEU HA H 66 4.491 4.077 0.414 1 1 812 . 13 1 1 A 68 68 LEU C C 66 176.812 178.513 -1.701 1 1 813 . 13 1 1 A 68 68 LEU CA C 66 55.366 58.108 -2.742 1 1 814 . 13 1 1 A 68 68 LEU CB C 66 43.278 41.449 1.829 1 1 818 . 13 1 1 A 68 68 LEU N N 66 120.930 122.422 -1.492 1 1 819 . 13 1 1 A 69 69 ASN H H 67 8.265 8.303 -0.038 1 1 820 . 13 1 1 A 69 69 ASN HA H 67 4.669 4.384 0.285 1 1 825 . 13 1 1 A 69 69 ASN CA C 67 53.761 56.895 -3.134 1 1 826 . 13 1 1 A 69 69 ASN CB C 67 39.069 39.059 0.010 1 1 827 . 13 1 1 A 69 69 ASN N N 67 120.279 116.932 3.347 1 1 852 . 13 2 2 B 4 4 GLU H H 102 8.342 7.641 0.701 1 1 853 . 13 2 2 B 4 4 GLU HA H 102 4.282 4.769 -0.487 1 1 858 . 13 2 2 B 4 4 GLU C C 102 177.132 175.470 1.662 1 1 859 . 13 2 2 B 4 4 GLU CA C 102 57.410 55.636 1.774 1 1 861 . 13 2 2 B 4 4 GLU N N 102 121.884 118.559 3.325 1 1 862 . 13 2 2 B 5 5 GLY H H 103 8.331 8.300 0.031 1 1 863 . 13 2 2 B 5 5 GLY HA2 H 103 3.960 4.071 -0.111 1 1 864 . 13 2 2 B 5 5 GLY HA3 H 103 3.960 4.076 -0.116 1 1 865 . 13 2 2 B 5 5 GLY C C 103 174.207 173.861 0.346 1 1 866 . 13 2 2 B 5 5 GLY CA C 103 45.731 45.848 -0.117 1 1 867 . 13 2 2 B 5 5 GLY N N 103 110.055 110.131 -0.076 1 1 868 . 13 2 2 B 6 6 ILE H H 104 7.831 7.913 -0.082 1 1 869 . 13 2 2 B 6 6 ILE HA H 104 4.286 4.193 0.093 1 1 879 . 13 2 2 B 6 6 ILE C C 104 176.401 174.915 1.486 1 1 880 . 13 2 2 B 6 6 ILE CA C 104 61.558 63.171 -1.613 1 1 881 . 13 2 2 B 6 6 ILE CB C 104 39.436 36.895 2.541 1 1 885 . 13 2 2 B 6 6 ILE N N 104 119.606 118.829 0.777 1 1 886 . 13 2 2 B 7 7 SER H H 105 8.350 8.724 -0.374 1 1 887 . 13 2 2 B 7 7 SER HA H 105 4.545 4.411 0.134 1 1 890 . 13 2 2 B 7 7 SER C C 105 174.550 174.678 -0.128 1 1 891 . 13 2 2 B 7 7 SER CA C 105 58.667 58.285 0.382 1 1 892 . 13 2 2 B 7 7 SER CB C 105 64.072 61.580 2.492 1 1 893 . 13 2 2 B 7 7 SER N N 105 119.853 121.373 -1.520 1 1 894 . 13 2 2 B 8 8 ILE H H 106 7.921 8.432 -0.511 1 1 895 . 13 2 2 B 8 8 ILE HA H 106 4.205 4.118 0.087 1 1 905 . 13 2 2 B 8 8 ILE C C 106 175.921 175.609 0.312 1 1 906 . 13 2 2 B 8 8 ILE CA C 106 61.935 61.502 0.433 1 1 907 . 13 2 2 B 8 8 ILE CB C 106 39.436 37.749 1.687 1 1 911 . 13 2 2 B 8 8 ILE N N 106 121.730 121.424 0.306 1 1 912 . 13 2 2 B 9 9 TYR H H 107 8.166 7.502 0.664 1 1 913 . 13 2 2 B 9 9 TYR HA H 107 4.713 4.892 -0.179 1 1 920 . 13 2 2 B 9 9 TYR C C 107 176.058 172.864 3.194 1 1 921 . 13 2 2 B 9 9 TYR CA C 107 58.165 56.595 1.570 1 1 922 . 13 2 2 B 9 9 TYR CB C 107 39.436 40.076 -0.640 1 1 925 . 13 2 2 B 9 9 TYR N N 107 123.598 119.263 4.335 1 1 926 . 13 2 2 B 10 10 THR H H 108 7.961 8.727 -0.766 1 1 927 . 13 2 2 B 10 10 THR HA H 108 4.433 5.167 -0.734 1 1 932 . 13 2 2 B 10 10 THR C C 108 174.459 174.524 -0.065 1 1 933 . 13 2 2 B 10 10 THR CA C 108 62.061 61.114 0.947 1 1 934 . 13 2 2 B 10 10 THR CB C 108 70.608 71.623 -1.015 1 1 936 . 13 2 2 B 10 10 THR N N 108 115.642 114.204 1.438 1 1 937 . 13 2 2 B 11 11 SER H H 109 8.211 9.119 -0.908 1 1 938 . 13 2 2 B 11 11 SER HA H 109 4.507 4.133 0.374 1 1 941 . 13 2 2 B 11 11 SER C C 109 174.504 174.709 -0.205 1 1 942 . 13 2 2 B 11 11 SER CA C 109 58.919 62.125 -3.206 1 1 943 . 13 2 2 B 11 11 SER CB C 109 64.198 63.437 0.761 1 1 944 . 13 2 2 B 11 11 SER N N 109 117.260 120.574 -3.314 1 1 945 . 13 2 2 B 12 12 ASP H H 110 8.351 7.840 0.511 1 1 946 . 13 2 2 B 12 12 ASP HA H 110 4.631 4.492 0.139 1 1 949 . 13 2 2 B 12 12 ASP C C 110 176.058 175.519 0.539 1 1 950 . 13 2 2 B 12 12 ASP CA C 110 55.022 57.237 -2.215 1 1 951 . 13 2 2 B 12 12 ASP CB C 110 41.825 40.178 1.647 1 1 952 . 13 2 2 B 12 12 ASP N N 110 122.020 120.608 1.412 1 1 953 . 13 2 2 B 13 13 ASN H H 111 8.230 8.367 -0.137 1 1 954 . 13 2 2 B 13 13 ASN HA H 111 4.726 4.730 -0.004 1 1 957 . 13 2 2 B 13 13 ASN C C 111 175.030 175.084 -0.054 1 1 958 . 13 2 2 B 13 13 ASN CA C 111 53.765 52.358 1.407 1 1 959 . 13 2 2 B 13 13 ASN CB C 111 39.562 37.045 2.517 1 1 960 . 13 2 2 B 13 13 ASN N N 111 118.317 117.418 0.899 1 1 961 . 13 2 2 B 14 14 TYR H H 112 8.101 8.322 -0.221 1 1 962 . 13 2 2 B 14 14 TYR HA H 112 4.638 4.582 0.056 1 1 969 . 13 2 2 B 14 14 TYR C C 112 176.081 175.826 0.255 1 1 970 . 13 2 2 B 14 14 TYR CA C 112 58.793 57.739 1.054 1 1 971 . 13 2 2 B 14 14 TYR CB C 112 39.436 41.081 -1.645 1 1 974 . 13 2 2 B 14 14 TYR N N 112 120.850 125.769 -4.919 1 1 975 . 13 2 2 B 15 15 THR H H 113 7.879 7.965 -0.086 1 1 976 . 13 2 2 B 15 15 THR HA H 113 4.284 4.192 0.092 1 1 981 . 13 2 2 B 15 15 THR C C 113 174.413 174.920 -0.507 1 1 982 . 13 2 2 B 15 15 THR CA C 113 62.187 63.559 -1.372 1 1 983 . 13 2 2 B 15 15 THR CB C 113 70.341 66.700 3.641 1 1 985 . 13 2 2 B 15 15 THR N N 113 116.126 114.255 1.871 1 1 986 . 13 2 2 B 16 16 GLU H H 114 8.253 8.731 -0.478 1 1 987 . 13 2 2 B 16 16 GLU HA H 114 4.256 4.267 -0.011 1 1 992 . 13 2 2 B 16 16 GLU C C 114 176.766 175.246 1.520 1 1 993 . 13 2 2 B 16 16 GLU CA C 114 57.410 57.701 -0.291 1 1 994 . 13 2 2 B 16 16 GLU CB C 114 30.620 27.498 3.122 1 1 996 . 13 2 2 B 16 16 GLU N N 114 123.052 122.545 0.507 1 1 997 . 13 2 2 B 17 17 GLU H H 115 8.331 7.427 0.904 1 1 998 . 13 2 2 B 17 17 GLU HA H 115 4.292 4.725 -0.433 1 1 1003 . 13 2 2 B 17 17 GLU C C 115 176.880 175.327 1.553 1 1 1004 . 13 2 2 B 17 17 GLU CA C 115 57.410 55.056 2.354 1 1 1005 . 13 2 2 B 17 17 GLU CB C 115 30.525 32.570 -2.045 1 1 1007 . 13 2 2 B 17 17 GLU N N 115 121.688 116.628 5.060 1 1 1008 . 13 2 2 B 18 18 MET H H 116 8.317 9.132 -0.815 1 1 1009 . 13 2 2 B 18 18 MET HA H 116 4.490 4.230 0.260 1 1 1014 . 13 2 2 B 18 18 MET C C 116 177.086 174.721 2.365 1 1 1015 . 13 2 2 B 18 18 MET CA C 116 56.279 56.114 0.165 1 1 1016 . 13 2 2 B 18 18 MET CB C 116 33.026 31.420 1.606 1 1 1017 . 13 2 2 B 18 18 MET N N 116 121.270 119.547 1.723 1 1 1018 . 13 2 2 B 19 19 GLY H H 117 8.320 8.624 -0.304 1 1 1019 . 13 2 2 B 19 19 GLY HA2 H 117 4.054 4.200 -0.146 1 1 1020 . 13 2 2 B 19 19 GLY HA3 H 117 4.054 4.219 -0.165 1 1 1021 . 13 2 2 B 19 19 GLY C C 117 174.481 172.709 1.772 1 1 1022 . 13 2 2 B 19 19 GLY CA C 117 45.847 46.172 -0.325 1 1 1023 . 13 2 2 B 19 19 GLY N N 117 110.055 112.240 -2.185 1 1 1024 . 13 2 2 B 20 20 SER H H 118 8.230 8.554 -0.324 1 1 1025 . 13 2 2 B 20 20 SER HA H 118 4.476 4.730 -0.254 1 1 1028 . 13 2 2 B 20 20 SER C C 118 175.327 174.972 0.355 1 1 1029 . 13 2 2 B 20 20 SER CA C 118 58.919 58.543 0.376 1 1 1030 . 13 2 2 B 20 20 SER CB C 118 64.575 64.470 0.105 1 1 1031 . 13 2 2 B 20 20 SER N N 118 115.664 116.342 -0.678 1 1 1032 . 13 2 2 B 21 21 GLY H H 119 8.371 8.120 0.251 1 1 1033 . 13 2 2 B 21 21 GLY HA2 H 119 3.951 4.047 -0.096 1 1 1034 . 13 2 2 B 21 21 GLY HA3 H 119 3.951 4.050 -0.099 1 1 1035 . 13 2 2 B 21 21 GLY C C 119 174.002 174.065 -0.063 1 1 1036 . 13 2 2 B 21 21 GLY CA C 119 45.721 45.687 0.034 1 1 1037 . 13 2 2 B 21 21 GLY N N 119 110.872 107.328 3.544 1 1 1068 . 13 2 2 B 25 25 SER H H 123 8.155 8.161 -0.006 1 1 1069 . 13 2 2 B 25 25 SER HA H 123 4.404 4.254 0.150 1 1 1072 . 13 2 2 B 25 25 SER C C 123 175.075 173.815 1.260 1 1 1073 . 13 2 2 B 25 25 SER CA C 123 59.347 59.151 0.196 1 1 1074 . 13 2 2 B 25 25 SER CB C 123 63.879 62.586 1.293 1 1 1075 . 13 2 2 B 25 25 SER N N 123 116.126 114.049 2.077 1 1 1076 . 13 2 2 B 26 26 MET H H 124 8.221 8.670 -0.449 1 1 1077 . 13 2 2 B 26 26 MET HA H 124 4.482 4.165 0.317 1 1 1082 . 13 2 2 B 26 26 MET C C 124 176.355 175.063 1.292 1 1 1083 . 13 2 2 B 26 26 MET CA C 124 56.279 56.160 0.119 1 1 1084 . 13 2 2 B 26 26 MET CB C 124 32.900 31.041 1.859 1 1 1086 . 13 2 2 B 26 26 MET N N 124 121.210 125.545 -4.335 1 1 1087 . 13 2 2 B 27 27 LYS H H 125 8.036 8.379 -0.343 1 1 1088 . 13 2 2 B 27 27 LYS HA H 125 4.333 4.930 -0.597 1 1 1097 . 13 2 2 B 27 27 LYS C C 125 176.355 174.998 1.357 1 1 1098 . 13 2 2 B 27 27 LYS CA C 125 56.656 54.678 1.978 1 1 1099 . 13 2 2 B 27 27 LYS CB C 125 33.529 35.195 -1.666 1 1 1103 . 13 2 2 B 27 27 LYS N N 125 121.457 122.751 -1.294 1 1 1104 . 13 2 2 B 28 28 GLU H H 126 8.205 9.080 -0.875 1 1 1105 . 13 2 2 B 28 28 GLU N N 126 122.740 118.271 4.469 1 1 1106 . 13 2 2 B 29 29 PRO HA H 127 4.377 4.492 -0.115 1 1 1113 . 13 2 2 B 29 29 PRO C C 127 176.812 177.187 -0.375 1 1 1114 . 13 2 2 B 29 29 PRO CA C 127 63.821 63.339 0.482 1 1 1115 . 13 2 2 B 29 29 PRO CB C 127 32.272 32.415 -0.143 1 1 1118 . 13 2 2 B 30 30 ALA H H 128 8.273 8.600 -0.327 1 1 1119 . 13 2 2 B 30 30 ALA HA H 128 4.287 4.223 0.064 1 1 1123 . 13 2 2 B 30 30 ALA C C 128 177.589 177.626 -0.037 1 1 1124 . 13 2 2 B 30 30 ALA CA C 128 52.873 54.402 -1.529 1 1 1125 . 13 2 2 B 30 30 ALA CB C 128 19.703 19.966 -0.263 1 1 1126 . 13 2 2 B 30 30 ALA N N 128 123.577 126.486 -2.909 1 1 1127 . 13 2 2 B 31 31 PHE H H 129 8.019 8.254 -0.235 1 1 1128 . 13 2 2 B 31 31 PHE HA H 129 4.621 4.142 0.479 1 1 1135 . 13 2 2 B 31 31 PHE C C 129 175.624 174.252 1.372 1 1 1136 . 13 2 2 B 31 31 PHE CA C 129 58.039 58.830 -0.791 1 1 1137 . 13 2 2 B 31 31 PHE CB C 129 40.055 37.518 2.537 1 1 1140 . 13 2 2 B 31 31 PHE N N 129 118.994 117.268 1.726 1 1 1141 . 13 2 2 B 32 32 ARG H H 130 8.042 7.405 0.637 1 1 1142 . 13 2 2 B 32 32 ARG HA H 130 4.332 4.563 -0.231 1 1 1149 . 13 2 2 B 32 32 ARG C C 130 175.875 173.824 2.051 1 1 1150 . 13 2 2 B 32 32 ARG CA C 130 56.154 54.878 1.276 1 1 1151 . 13 2 2 B 32 32 ARG CB C 130 31.643 32.119 -0.476 1 1 1154 . 13 2 2 B 32 32 ARG N N 130 122.929 116.468 6.461 1 1 1155 . 13 2 2 B 33 33 GLU H H 131 8.389 8.431 -0.042 1 1 1156 . 13 2 2 B 33 33 GLU HA H 131 4.276 5.014 -0.738 1 1 1161 . 13 2 2 B 33 33 GLU C C 131 176.766 175.567 1.199 1 1 1162 . 13 2 2 B 33 33 GLU CA C 131 57.285 54.800 2.485 1 1 1163 . 13 2 2 B 33 33 GLU CB C 131 30.512 32.229 -1.717 1 1 1165 . 13 2 2 B 33 33 GLU N N 131 122.719 119.731 2.988 1 1 1166 . 13 2 2 B 34 34 GLU H H 132 8.502 8.719 -0.217 1 1 1167 . 13 2 2 B 34 34 GLU HA H 132 4.275 4.790 -0.515 1 1 1172 . 13 2 2 B 34 34 GLU C C 132 176.560 176.039 0.521 1 1 1173 . 13 2 2 B 34 34 GLU CA C 132 57.400 54.825 2.575 1 1 1174 . 13 2 2 B 34 34 GLU CB C 132 30.526 32.338 -1.812 1 1 1176 . 13 2 2 B 34 34 GLU N N 132 122.122 121.515 0.607 1 1 1177 . 13 2 2 B 35 35 ASN H H 133 8.362 9.029 -0.667 1 1 1178 . 13 2 2 B 35 35 ASN HA H 133 4.693 4.447 0.246 1 1 1181 . 13 2 2 B 35 35 ASN C C 133 175.258 175.602 -0.344 1 1 1182 . 13 2 2 B 35 35 ASN CA C 133 53.765 53.944 -0.179 1 1 1183 . 13 2 2 B 35 35 ASN CB C 133 39.562 36.936 2.626 1 1 1184 . 13 2 2 B 35 35 ASN N N 133 119.552 120.546 -0.994 1 1 1185 . 13 2 2 B 36 36 ALA H H 134 8.155 8.322 -0.167 1 1 1186 . 13 2 2 B 36 36 ALA HA H 134 4.289 4.484 -0.195 1 1 1190 . 13 2 2 B 36 36 ALA C C 134 177.520 176.838 0.682 1 1 1191 . 13 2 2 B 36 36 ALA CA C 134 52.873 53.328 -0.455 1 1 1192 . 13 2 2 B 36 36 ALA CB C 134 19.703 20.565 -0.862 1 1 1193 . 13 2 2 B 36 36 ALA N N 134 124.376 125.084 -0.708 1 1 1194 . 13 2 2 B 37 37 ASN H H 135 8.210 7.901 0.309 1 1 1195 . 13 2 2 B 37 37 ASN HA H 135 4.694 5.209 -0.515 1 1 1198 . 13 2 2 B 37 37 ASN C C 135 175.144 173.527 1.617 1 1 1199 . 13 2 2 B 37 37 ASN CA C 135 53.640 52.038 1.602 1 1 1200 . 13 2 2 B 37 37 ASN CB C 135 39.311 41.296 -1.985 1 1 1201 . 13 2 2 B 37 37 ASN N N 135 117.103 115.431 1.672 1 1 1202 . 13 2 2 B 38 38 PHE H H 136 7.997 9.331 -1.334 1 1 1203 . 13 2 2 B 38 38 PHE HA H 136 4.659 4.915 -0.256 1 1 1210 . 13 2 2 B 38 38 PHE C C 136 175.601 174.712 0.889 1 1 1211 . 13 2 2 B 38 38 PHE CA C 136 58.165 56.667 1.498 1 1 1212 . 13 2 2 B 38 38 PHE CB C 136 39.939 40.145 -0.206 1 1 1215 . 13 2 2 B 38 38 PHE N N 136 120.229 126.164 -5.935 1 1 1216 . 13 2 2 B 39 39 ASN H H 137 8.272 8.551 -0.279 1 1 1217 . 13 2 2 B 39 39 ASN HA H 137 4.733 4.687 0.046 1 1 1220 . 13 2 2 B 39 39 ASN C C 137 174.047 175.037 -0.990 1 1 1221 . 13 2 2 B 39 39 ASN CA C 137 53.891 54.451 -0.560 1 1 1222 . 13 2 2 B 39 39 ASN CB C 137 39.688 40.712 -1.024 1 1 1223 . 13 2 2 B 39 39 ASN N N 137 120.594 126.078 -5.484 1 1 3 . 14 1 1 A 4 4 PRO HA H 2 4.509 4.577 -0.068 1 1 10 . 14 1 1 A 4 4 PRO C C 2 177.132 176.721 0.411 1 1 11 . 14 1 1 A 4 4 PRO CA C 2 63.529 62.849 0.680 1 1 12 . 14 1 1 A 4 4 PRO CB C 2 32.476 31.302 1.174 1 1 15 . 14 1 1 A 5 5 VAL H H 3 8.201 8.553 -0.352 1 1 16 . 14 1 1 A 5 5 VAL HA H 3 4.152 4.249 -0.097 1 1 24 . 14 1 1 A 5 5 VAL C C 3 176.423 174.908 1.515 1 1 25 . 14 1 1 A 5 5 VAL CA C 3 62.873 62.721 0.152 1 1 26 . 14 1 1 A 5 5 VAL CB C 3 33.455 34.628 -1.173 1 1 28 . 14 1 1 A 5 5 VAL N N 3 120.488 123.106 -2.618 1 1 29 . 14 1 1 A 6 6 SER H H 4 8.276 7.950 0.326 1 1 30 . 14 1 1 A 6 6 SER HA H 4 4.494 5.018 -0.524 1 1 33 . 14 1 1 A 6 6 SER C C 4 174.687 173.418 1.269 1 1 34 . 14 1 1 A 6 6 SER CA C 4 58.375 58.072 0.303 1 1 35 . 14 1 1 A 6 6 SER CB C 4 64.295 63.312 0.983 1 1 36 . 14 1 1 A 6 6 SER N N 4 119.000 117.686 1.314 1 1 37 . 14 1 1 A 7 7 LEU H H 5 8.238 8.246 -0.008 1 1 38 . 14 1 1 A 7 7 LEU HA H 5 4.406 4.598 -0.192 1 1 44 . 14 1 1 A 7 7 LEU C C 5 177.406 174.485 2.921 1 1 45 . 14 1 1 A 7 7 LEU CA C 5 55.766 54.906 0.860 1 1 46 . 14 1 1 A 7 7 LEU CB C 5 43.132 43.235 -0.103 1 1 48 . 14 1 1 A 7 7 LEU N N 5 124.704 126.898 -2.194 1 1 49 . 14 1 1 A 8 8 SER H H 6 8.148 8.741 -0.593 1 1 50 . 14 1 1 A 8 8 SER HA H 6 4.438 5.304 -0.866 1 1 53 . 14 1 1 A 8 8 SER C C 6 174.321 172.656 1.665 1 1 54 . 14 1 1 A 8 8 SER CA C 6 58.718 56.224 2.494 1 1 55 . 14 1 1 A 8 8 SER CB C 6 64.295 66.006 -1.711 1 1 56 . 14 1 1 A 8 8 SER N N 6 115.960 117.560 -1.600 1 1 57 . 14 1 1 A 9 9 TYR H H 7 7.954 9.148 -1.194 1 1 58 . 14 1 1 A 9 9 TYR HA H 7 4.585 4.839 -0.254 1 1 65 . 14 1 1 A 9 9 TYR C C 7 175.532 175.613 -0.081 1 1 66 . 14 1 1 A 9 9 TYR CA C 7 58.335 56.603 1.732 1 1 67 . 14 1 1 A 9 9 TYR CB C 7 39.474 36.660 2.814 1 1 70 . 14 1 1 A 9 9 TYR N N 7 121.884 122.824 -0.940 1 1 71 . 14 1 1 A 10 10 ARG H H 8 8.117 7.856 0.261 1 1 72 . 14 1 1 A 10 10 ARG HA H 8 4.349 4.888 -0.539 1 1 79 . 14 1 1 A 10 10 ARG C C 8 175.898 174.845 1.053 1 1 80 . 14 1 1 A 10 10 ARG CA C 8 56.048 53.828 2.220 1 1 81 . 14 1 1 A 10 10 ARG CB C 8 31.492 34.627 -3.135 1 1 84 . 14 1 1 A 10 10 ARG N N 8 121.977 120.062 1.915 1 1 85 . 14 1 1 A 11 11 CYS H H 9 8.127 8.751 -0.624 1 1 86 . 14 1 1 A 11 11 CYS HA H 9 4.984 5.822 -0.838 1 1 89 . 14 1 1 A 11 11 CYS C C 9 177.771 173.928 3.843 1 1 90 . 14 1 1 A 11 11 CYS CA C 9 53.192 54.971 -1.779 1 1 91 . 14 1 1 A 11 11 CYS CB C 9 40.897 42.689 -1.792 1 1 92 . 14 1 1 A 11 11 CYS N N 9 121.209 119.861 1.348 1 1 93 . 14 1 1 A 12 12 PRO HA H 10 4.321 4.352 -0.031 1 1 100 . 14 1 1 A 12 12 PRO CA C 10 65.478 64.283 1.195 1 1 101 . 14 1 1 A 12 12 PRO CB C 10 32.904 31.845 1.059 1 1 104 . 14 1 1 A 13 13 CYS H H 11 8.633 7.599 1.034 1 1 105 . 14 1 1 A 13 13 CYS C C 11 174.618 173.553 1.065 1 1 106 . 14 1 1 A 13 13 CYS N N 11 114.595 115.412 -0.817 1 1 107 . 14 1 1 A 14 14 ARG H H 12 8.236 8.665 -0.429 1 1 108 . 14 1 1 A 14 14 ARG HA H 12 4.067 4.235 -0.168 1 1 115 . 14 1 1 A 14 14 ARG C C 12 175.098 175.035 0.063 1 1 116 . 14 1 1 A 14 14 ARG CA C 12 57.370 57.252 0.118 1 1 117 . 14 1 1 A 14 14 ARG CB C 12 31.631 31.268 0.363 1 1 120 . 14 1 1 A 14 14 ARG N N 12 122.779 125.488 -2.709 1 1 121 . 14 1 1 A 15 15 PHE H H 13 7.615 7.602 0.013 1 1 122 . 14 1 1 A 15 15 PHE HA H 13 4.510 4.712 -0.202 1 1 129 . 14 1 1 A 15 15 PHE C C 13 174.162 175.027 -0.865 1 1 130 . 14 1 1 A 15 15 PHE CA C 13 56.289 55.622 0.667 1 1 131 . 14 1 1 A 15 15 PHE CB C 13 41.320 41.677 -0.357 1 1 134 . 14 1 1 A 15 15 PHE N N 13 116.797 116.478 0.319 1 1 135 . 14 1 1 A 16 16 PHE H H 14 8.125 8.420 -0.295 1 1 136 . 14 1 1 A 16 16 PHE HA H 14 4.767 5.670 -0.903 1 1 143 . 14 1 1 A 16 16 PHE C C 14 175.441 173.260 2.181 1 1 144 . 14 1 1 A 16 16 PHE CA C 14 55.767 55.146 0.621 1 1 145 . 14 1 1 A 16 16 PHE CB C 14 41.320 42.703 -1.383 1 1 148 . 14 1 1 A 16 16 PHE N N 14 118.930 119.353 -0.423 1 1 149 . 14 1 1 A 17 17 GLU H H 15 8.836 9.087 -0.251 1 1 150 . 14 1 1 A 17 17 GLU HA H 15 4.579 4.839 -0.260 1 1 155 . 14 1 1 A 17 17 GLU C C 15 176.857 176.559 0.298 1 1 156 . 14 1 1 A 17 17 GLU CA C 15 56.289 55.201 1.088 1 1 157 . 14 1 1 A 17 17 GLU CB C 15 31.173 31.066 0.107 1 1 159 . 14 1 1 A 17 17 GLU N N 15 122.929 120.957 1.972 1 1 160 . 14 1 1 A 18 18 SER H H 16 8.751 8.630 0.121 1 1 161 . 14 1 1 A 18 18 SER HA H 16 4.762 4.647 0.115 1 1 164 . 14 1 1 A 18 18 SER C C 16 177.497 175.287 2.210 1 1 165 . 14 1 1 A 18 18 SER CA C 16 59.328 58.682 0.646 1 1 166 . 14 1 1 A 18 18 SER CB C 16 64.515 64.731 -0.216 1 1 167 . 14 1 1 A 18 18 SER N N 16 118.860 112.877 5.983 1 1 168 . 14 1 1 A 19 19 HIS H H 17 8.761 8.032 0.729 1 1 169 . 14 1 1 A 19 19 HIS HA H 17 4.859 4.848 0.011 1 1 174 . 14 1 1 A 19 19 HIS C C 17 174.618 174.955 -0.337 1 1 175 . 14 1 1 A 19 19 HIS CA C 17 56.449 55.392 1.057 1 1 176 . 14 1 1 A 19 19 HIS CB C 17 29.870 28.877 0.993 1 1 179 . 14 1 1 A 19 19 HIS N N 17 120.535 119.058 1.477 1 1 180 . 14 1 1 A 20 20 VAL H H 18 7.157 7.665 -0.508 1 1 181 . 14 1 1 A 20 20 VAL HA H 18 4.181 4.578 -0.397 1 1 189 . 14 1 1 A 20 20 VAL C C 18 174.436 175.052 -0.616 1 1 190 . 14 1 1 A 20 20 VAL CA C 18 62.167 59.941 2.226 1 1 191 . 14 1 1 A 20 20 VAL CB C 18 34.426 34.267 0.159 1 1 193 . 14 1 1 A 20 20 VAL N N 18 120.872 120.376 0.496 1 1 194 . 14 1 1 A 21 21 ALA H H 19 8.521 8.623 -0.102 1 1 195 . 14 1 1 A 21 21 ALA HA H 19 4.372 4.341 0.031 1 1 199 . 14 1 1 A 21 21 ALA C C 19 177.657 177.676 -0.019 1 1 200 . 14 1 1 A 21 21 ALA CA C 19 51.193 51.075 0.118 1 1 201 . 14 1 1 A 21 21 ALA CB C 19 19.790 19.930 -0.140 1 1 202 . 14 1 1 A 21 21 ALA N N 19 131.339 130.310 1.029 1 1 203 . 14 1 1 A 22 22 ARG H H 20 7.790 8.106 -0.316 1 1 204 . 14 1 1 A 22 22 ARG HA H 20 2.445 2.943 -0.498 1 1 211 . 14 1 1 A 22 22 ARG C C 20 178.365 177.547 0.818 1 1 212 . 14 1 1 A 22 22 ARG CA C 20 59.379 58.740 0.639 1 1 213 . 14 1 1 A 22 22 ARG CB C 20 29.572 29.305 0.267 1 1 216 . 14 1 1 A 22 22 ARG N N 20 124.365 123.181 1.184 1 1 217 . 14 1 1 A 23 23 ALA H H 21 8.120 7.473 0.647 1 1 218 . 14 1 1 A 23 23 ALA HA H 21 4.060 4.108 -0.048 1 1 222 . 14 1 1 A 23 23 ALA C C 21 178.000 178.033 -0.033 1 1 223 . 14 1 1 A 23 23 ALA CA C 21 54.100 53.554 0.546 1 1 224 . 14 1 1 A 23 23 ALA CB C 21 18.713 18.273 0.440 1 1 225 . 14 1 1 A 23 23 ALA N N 21 117.156 120.361 -3.205 1 1 226 . 14 1 1 A 24 24 ASN H H 22 7.717 7.779 -0.062 1 1 227 . 14 1 1 A 24 24 ASN HA H 22 5.010 4.770 0.240 1 1 232 . 14 1 1 A 24 24 ASN C C 22 174.938 174.801 0.137 1 1 233 . 14 1 1 A 24 24 ASN CA C 22 52.869 52.901 -0.032 1 1 234 . 14 1 1 A 24 24 ASN CB C 22 40.573 39.049 1.524 1 1 235 . 14 1 1 A 24 24 ASN N N 22 112.819 115.158 -2.339 1 1 237 . 14 1 1 A 25 25 VAL H H 23 7.489 7.124 0.365 1 1 238 . 14 1 1 A 25 25 VAL HA H 23 4.888 4.392 0.496 1 1 246 . 14 1 1 A 25 25 VAL C C 23 175.829 175.466 0.363 1 1 247 . 14 1 1 A 25 25 VAL CA C 23 59.870 59.797 0.073 1 1 248 . 14 1 1 A 25 25 VAL CB C 23 35.396 33.850 1.546 1 1 251 . 14 1 1 A 25 25 VAL N N 23 119.721 117.205 2.516 1 1 252 . 14 1 1 A 26 26 LYS H H 24 9.479 8.977 0.502 1 1 253 . 14 1 1 A 26 26 LYS HA H 24 4.353 4.477 -0.124 1 1 262 . 14 1 1 A 26 26 LYS C C 24 176.606 176.613 -0.007 1 1 263 . 14 1 1 A 26 26 LYS CA C 24 58.977 57.275 1.702 1 1 264 . 14 1 1 A 26 26 LYS CB C 24 34.567 33.542 1.025 1 1 268 . 14 1 1 A 26 26 LYS N N 24 127.843 121.817 6.026 1 1 269 . 14 1 1 A 27 27 HIS H H 25 7.237 7.536 -0.299 1 1 270 . 14 1 1 A 27 27 HIS HA H 25 4.979 4.929 0.050 1 1 275 . 14 1 1 A 27 27 HIS C C 25 178.434 172.432 6.002 1 1 276 . 14 1 1 A 27 27 HIS CA C 25 55.406 54.661 0.745 1 1 277 . 14 1 1 A 27 27 HIS CB C 25 32.480 31.470 1.010 1 1 280 . 14 1 1 A 27 27 HIS N N 25 109.556 114.090 -4.534 1 1 281 . 14 1 1 A 28 28 LEU H H 26 8.189 8.812 -0.623 1 1 282 . 14 1 1 A 28 28 LEU HA H 26 5.190 5.147 0.043 1 1 292 . 14 1 1 A 28 28 LEU C C 26 175.510 175.316 0.194 1 1 293 . 14 1 1 A 28 28 LEU CA C 26 53.480 53.458 0.022 1 1 294 . 14 1 1 A 28 28 LEU CB C 26 45.235 45.055 0.180 1 1 298 . 14 1 1 A 28 28 LEU N N 26 117.260 119.561 -2.301 1 1 299 . 14 1 1 A 29 29 LYS H H 27 9.572 9.058 0.514 1 1 300 . 14 1 1 A 29 29 LYS HA H 27 5.372 5.221 0.151 1 1 309 . 14 1 1 A 29 29 LYS C C 27 174.801 174.543 0.258 1 1 310 . 14 1 1 A 29 29 LYS CA C 27 55.165 54.793 0.372 1 1 311 . 14 1 1 A 29 29 LYS CB C 27 35.253 35.701 -0.448 1 1 315 . 14 1 1 A 29 29 LYS N N 27 123.488 123.556 -0.068 1 1 316 . 14 1 1 A 30 30 ILE H H 28 9.136 8.999 0.137 1 1 317 . 14 1 1 A 30 30 ILE HA H 28 4.926 4.857 0.069 1 1 327 . 14 1 1 A 30 30 ILE C C 28 176.949 175.198 1.751 1 1 328 . 14 1 1 A 30 30 ILE CA C 28 60.542 58.925 1.617 1 1 329 . 14 1 1 A 30 30 ILE CB C 28 39.600 38.762 0.838 1 1 333 . 14 1 1 A 30 30 ILE N N 28 123.846 127.816 -3.970 1 1 334 . 14 1 1 A 31 31 LEU H H 29 8.830 9.316 -0.486 1 1 335 . 14 1 1 A 31 31 LEU HA H 29 4.535 4.981 -0.446 1 1 344 . 14 1 1 A 31 31 LEU C C 29 176.012 174.897 1.115 1 1 345 . 14 1 1 A 31 31 LEU CA C 29 55.366 53.468 1.898 1 1 346 . 14 1 1 A 31 31 LEU CB C 29 43.180 43.932 -0.752 1 1 349 . 14 1 1 A 31 31 LEU N N 29 128.649 126.871 1.778 1 1 350 . 14 1 1 A 32 32 ASN H H 30 8.216 9.022 -0.806 1 1 351 . 14 1 1 A 32 32 ASN HA H 30 5.013 5.307 -0.294 1 1 356 . 14 1 1 A 32 32 ASN C C 30 174.664 174.816 -0.152 1 1 357 . 14 1 1 A 32 32 ASN CA C 30 52.517 51.907 0.610 1 1 358 . 14 1 1 A 32 32 ASN CB C 30 38.776 39.705 -0.929 1 1 359 . 14 1 1 A 32 32 ASN N N 30 120.791 124.183 -3.392 1 1 361 . 14 1 1 A 33 33 THR H H 31 7.883 8.882 -0.999 1 1 362 . 14 1 1 A 33 33 THR HA H 31 4.842 4.866 -0.024 1 1 367 . 14 1 1 A 33 33 THR CA C 31 58.369 60.057 -1.688 1 1 368 . 14 1 1 A 33 33 THR CB C 31 70.018 69.003 1.015 1 1 370 . 14 1 1 A 33 33 THR N N 31 115.811 117.466 -1.655 1 1 371 . 14 1 1 A 34 34 PRO HA H 32 4.317 4.293 0.024 1 1 378 . 14 1 1 A 34 34 PRO CA C 32 65.164 63.796 1.368 1 1 379 . 14 1 1 A 34 34 PRO CB C 32 32.484 31.502 0.982 1 1 382 . 14 1 1 A 35 35 ASN H H 33 8.254 8.955 -0.701 1 1 383 . 14 1 1 A 35 35 ASN HA H 33 4.651 4.262 0.389 1 1 388 . 14 1 1 A 35 35 ASN C C 33 174.710 174.029 0.681 1 1 389 . 14 1 1 A 35 35 ASN CA C 33 54.532 53.933 0.599 1 1 390 . 14 1 1 A 35 35 ASN CB C 33 39.167 36.733 2.434 1 1 391 . 14 1 1 A 35 35 ASN N N 33 120.081 121.131 -1.050 1 1 393 . 14 1 1 A 36 36 CYS H H 34 7.548 7.961 -0.413 1 1 394 . 14 1 1 A 36 36 CYS HA H 34 4.694 5.052 -0.358 1 1 397 . 14 1 1 A 36 36 CYS C C 34 173.865 173.792 0.073 1 1 398 . 14 1 1 A 36 36 CYS CA C 34 55.447 54.935 0.512 1 1 399 . 14 1 1 A 36 36 CYS CB C 34 45.228 47.417 -2.189 1 1 400 . 14 1 1 A 36 36 CYS N N 34 117.076 118.925 -1.849 1 1 401 . 14 1 1 A 37 37 ALA H H 35 8.472 8.638 -0.166 1 1 402 . 14 1 1 A 37 37 ALA HA H 35 4.236 4.192 0.044 1 1 406 . 14 1 1 A 37 37 ALA C C 35 176.423 177.084 -0.661 1 1 407 . 14 1 1 A 37 37 ALA CA C 35 53.537 54.693 -1.156 1 1 408 . 14 1 1 A 37 37 ALA CB C 35 19.202 19.028 0.174 1 1 409 . 14 1 1 A 37 37 ALA N N 35 125.153 124.032 1.121 1 1 410 . 14 1 1 A 38 38 CYS H H 36 8.316 7.419 0.897 1 1 411 . 14 1 1 A 38 38 CYS HA H 36 4.196 4.691 -0.495 1 1 414 . 14 1 1 A 38 38 CYS C C 36 173.705 172.251 1.454 1 1 415 . 14 1 1 A 38 38 CYS CA C 36 58.616 58.486 0.130 1 1 416 . 14 1 1 A 38 38 CYS CB C 36 45.705 30.671 15.034 1 1 417 . 14 1 1 A 38 38 CYS N N 36 118.837 112.426 6.411 1 1 418 . 14 1 1 A 39 39 GLN H H 37 8.921 8.811 0.110 1 1 419 . 14 1 1 A 39 39 GLN HA H 37 4.609 4.761 -0.152 1 1 426 . 14 1 1 A 39 39 GLN C C 37 173.636 174.553 -0.917 1 1 427 . 14 1 1 A 39 39 GLN CA C 37 54.603 54.289 0.314 1 1 428 . 14 1 1 A 39 39 GLN CB C 37 31.761 32.129 -0.368 1 1 430 . 14 1 1 A 39 39 GLN N N 37 128.567 124.742 3.825 1 1 432 . 14 1 1 A 40 40 ILE H H 38 8.893 8.365 0.528 1 1 433 . 14 1 1 A 40 40 ILE HA H 38 5.068 4.738 0.330 1 1 443 . 14 1 1 A 40 40 ILE C C 38 174.390 175.055 -0.665 1 1 444 . 14 1 1 A 40 40 ILE CA C 38 60.582 59.774 0.808 1 1 445 . 14 1 1 A 40 40 ILE CB C 38 40.048 38.903 1.145 1 1 449 . 14 1 1 A 40 40 ILE N N 38 123.962 125.160 -1.198 1 1 450 . 14 1 1 A 41 41 VAL H H 39 9.120 9.562 -0.442 1 1 451 . 14 1 1 A 41 41 VAL HA H 39 4.845 4.807 0.038 1 1 459 . 14 1 1 A 41 41 VAL C C 39 175.487 174.793 0.694 1 1 460 . 14 1 1 A 41 41 VAL CA C 39 59.980 61.120 -1.140 1 1 461 . 14 1 1 A 41 41 VAL CB C 39 35.868 33.428 2.440 1 1 464 . 14 1 1 A 41 41 VAL N N 39 126.354 128.457 -2.103 1 1 465 . 14 1 1 A 42 42 ALA H H 40 9.513 9.257 0.256 1 1 466 . 14 1 1 A 42 42 ALA HA H 40 5.154 5.199 -0.045 1 1 470 . 14 1 1 A 42 42 ALA C C 40 175.944 175.474 0.470 1 1 471 . 14 1 1 A 42 42 ALA CA C 40 50.591 50.036 0.555 1 1 472 . 14 1 1 A 42 42 ALA CB C 40 22.432 21.637 0.795 1 1 473 . 14 1 1 A 42 42 ALA N N 40 128.406 130.120 -1.714 1 1 474 . 14 1 1 A 43 43 ARG H H 41 7.717 7.879 -0.162 1 1 475 . 14 1 1 A 43 43 ARG HA H 41 4.979 4.597 0.382 1 1 482 . 14 1 1 A 43 43 ARG C C 41 175.510 175.385 0.125 1 1 483 . 14 1 1 A 43 43 ARG CA C 41 54.162 54.935 -0.773 1 1 484 . 14 1 1 A 43 43 ARG CB C 41 31.200 31.542 -0.342 1 1 487 . 14 1 1 A 43 43 ARG N N 41 121.663 122.946 -1.283 1 1 488 . 14 1 1 A 44 44 LEU H H 42 9.163 8.412 0.751 1 1 489 . 14 1 1 A 44 44 LEU HA H 42 5.033 4.565 0.468 1 1 499 . 14 1 1 A 44 44 LEU C C 42 177.840 177.995 -0.155 1 1 500 . 14 1 1 A 44 44 LEU CA C 42 54.724 55.054 -0.330 1 1 501 . 14 1 1 A 44 44 LEU CB C 42 41.712 41.940 -0.228 1 1 505 . 14 1 1 A 44 44 LEU N N 42 129.087 128.001 1.086 1 1 506 . 14 1 1 A 45 45 LYS H H 43 8.417 8.537 -0.120 1 1 507 . 14 1 1 A 45 45 LYS HA H 43 3.950 3.988 -0.038 1 1 516 . 14 1 1 A 45 45 LYS CA C 43 59.016 59.590 -0.574 1 1 517 . 14 1 1 A 45 45 LYS CB C 43 34.102 32.604 1.498 1 1 520 . 14 1 1 A 45 45 LYS N N 43 119.674 122.455 -2.781 1 1 521 . 14 1 1 A 48 48 ASN HA H 46 4.723 4.976 -0.253 1 1 526 . 14 1 1 A 48 48 ASN C C 46 175.098 174.262 0.836 1 1 527 . 14 1 1 A 48 48 ASN CA C 46 54.764 52.655 2.109 1 1 528 . 14 1 1 A 48 48 ASN CB C 46 39.265 39.982 -0.717 1 1 530 . 14 1 1 A 49 49 ARG H H 47 7.919 8.949 -1.030 1 1 531 . 14 1 1 A 49 49 ARG HA H 47 4.353 5.016 -0.663 1 1 538 . 14 1 1 A 49 49 ARG C C 47 175.601 174.211 1.390 1 1 539 . 14 1 1 A 49 49 ARG CA C 47 57.051 54.635 2.416 1 1 540 . 14 1 1 A 49 49 ARG CB C 47 32.121 31.532 0.589 1 1 543 . 14 1 1 A 49 49 ARG N N 47 119.826 116.858 2.968 1 1 544 . 14 1 1 A 50 50 GLN H H 48 8.547 8.482 0.065 1 1 545 . 14 1 1 A 50 50 GLN HA H 48 5.456 5.081 0.375 1 1 552 . 14 1 1 A 50 50 GLN C C 48 175.578 175.390 0.188 1 1 553 . 14 1 1 A 50 50 GLN CA C 48 55.125 54.913 0.212 1 1 554 . 14 1 1 A 50 50 GLN CB C 48 32.121 29.955 2.166 1 1 556 . 14 1 1 A 50 50 GLN N N 48 120.767 117.270 3.497 1 1 558 . 14 1 1 A 51 51 VAL H H 49 8.630 9.003 -0.373 1 1 559 . 14 1 1 A 51 51 VAL HA H 49 4.826 4.870 -0.044 1 1 567 . 14 1 1 A 51 51 VAL C C 49 175.258 174.385 0.873 1 1 568 . 14 1 1 A 51 51 VAL CA C 49 59.338 59.439 -0.101 1 1 569 . 14 1 1 A 51 51 VAL CB C 49 36.155 34.575 1.580 1 1 572 . 14 1 1 A 51 51 VAL N N 49 116.678 117.464 -0.786 1 1 573 . 14 1 1 A 52 52 CYS H H 50 9.100 8.596 0.504 1 1 574 . 14 1 1 A 52 52 CYS HA H 50 5.301 5.249 0.052 1 1 577 . 14 1 1 A 52 52 CYS C C 50 174.527 173.466 1.061 1 1 578 . 14 1 1 A 52 52 CYS CA C 50 58.054 54.774 3.280 1 1 579 . 14 1 1 A 52 52 CYS CB C 50 43.375 43.615 -0.240 1 1 580 . 14 1 1 A 52 52 CYS N N 50 124.549 120.262 4.287 1 1 581 . 14 1 1 A 53 53 ILE H H 51 8.485 9.771 -1.286 1 1 582 . 14 1 1 A 53 53 ILE HA H 51 4.964 4.740 0.224 1 1 592 . 14 1 1 A 53 53 ILE C C 51 173.019 174.870 -1.851 1 1 593 . 14 1 1 A 53 53 ILE CA C 51 58.897 59.948 -1.051 1 1 594 . 14 1 1 A 53 53 ILE CB C 51 42.201 40.537 1.664 1 1 598 . 14 1 1 A 53 53 ILE N N 51 122.581 126.065 -3.484 1 1 599 . 14 1 1 A 54 54 ASP H H 52 7.661 8.665 -1.004 1 1 600 . 14 1 1 A 54 54 ASP HA H 52 3.642 4.341 -0.699 1 1 603 . 14 1 1 A 54 54 ASP CA C 52 51.574 51.684 -0.110 1 1 604 . 14 1 1 A 54 54 ASP CB C 52 42.515 41.937 0.578 1 1 605 . 14 1 1 A 54 54 ASP N N 52 125.772 125.950 -0.178 1 1 606 . 14 1 1 A 55 55 PRO HA H 53 4.025 4.200 -0.175 1 1 613 . 14 1 1 A 55 55 PRO C C 53 176.126 177.350 -1.224 1 1 614 . 14 1 1 A 55 55 PRO CA C 53 63.993 64.095 -0.102 1 1 615 . 14 1 1 A 55 55 PRO CB C 53 33.002 31.637 1.365 1 1 618 . 14 1 1 A 56 56 LYS H H 54 7.931 7.695 0.236 1 1 619 . 14 1 1 A 56 56 LYS HA H 54 3.988 4.338 -0.350 1 1 628 . 14 1 1 A 56 56 LYS C C 54 177.931 176.260 1.671 1 1 629 . 14 1 1 A 56 56 LYS CA C 54 56.770 56.078 0.692 1 1 630 . 14 1 1 A 56 56 LYS CB C 54 32.023 33.162 -1.139 1 1 634 . 14 1 1 A 56 56 LYS N N 54 112.924 115.970 -3.046 1 1 635 . 14 1 1 A 57 57 LEU H H 55 7.162 7.300 -0.138 1 1 636 . 14 1 1 A 57 57 LEU HA H 55 4.059 3.985 0.074 1 1 646 . 14 1 1 A 57 57 LEU C C 55 179.416 177.759 1.657 1 1 647 . 14 1 1 A 57 57 LEU CA C 55 56.088 55.358 0.730 1 1 648 . 14 1 1 A 57 57 LEU CB C 55 42.191 43.026 -0.835 1 1 652 . 14 1 1 A 57 57 LEU N N 55 120.593 122.442 -1.849 1 1 653 . 14 1 1 A 58 58 LYS H H 56 8.720 9.007 -0.287 1 1 654 . 14 1 1 A 58 58 LYS HA H 56 3.920 3.836 0.084 1 1 663 . 14 1 1 A 58 58 LYS C C 56 178.937 178.006 0.931 1 1 664 . 14 1 1 A 58 58 LYS CA C 56 60.301 59.987 0.314 1 1 665 . 14 1 1 A 58 58 LYS CB C 56 32.121 32.399 -0.278 1 1 669 . 14 1 1 A 58 58 LYS N N 56 125.479 126.574 -1.095 1 1 670 . 14 1 1 A 59 59 TRP H H 57 7.811 8.335 -0.524 1 1 671 . 14 1 1 A 59 59 TRP HA H 57 4.664 4.475 0.189 1 1 680 . 14 1 1 A 59 59 TRP C C 57 178.868 179.360 -0.492 1 1 681 . 14 1 1 A 59 59 TRP CA C 57 58.897 59.918 -1.021 1 1 682 . 14 1 1 A 59 59 TRP CB C 57 28.036 28.063 -0.027 1 1 688 . 14 1 1 A 59 59 TRP N N 57 113.433 119.233 -5.800 1 1 690 . 14 1 1 A 60 60 ILE H H 58 6.467 7.201 -0.734 1 1 691 . 14 1 1 A 60 60 ILE HA H 58 3.325 3.503 -0.178 1 1 701 . 14 1 1 A 60 60 ILE C C 58 177.726 177.853 -0.127 1 1 702 . 14 1 1 A 60 60 ILE CA C 58 64.314 64.537 -0.223 1 1 703 . 14 1 1 A 60 60 ILE CB C 58 35.897 36.618 -0.721 1 1 707 . 14 1 1 A 60 60 ILE N N 58 124.379 122.399 1.980 1 1 708 . 14 1 1 A 61 61 GLN H H 59 7.624 8.864 -1.240 1 1 709 . 14 1 1 A 61 61 GLN HA H 59 3.755 3.902 -0.147 1 1 716 . 14 1 1 A 61 61 GLN C C 59 178.434 178.836 -0.402 1 1 717 . 14 1 1 A 61 61 GLN CA C 59 59.379 59.506 -0.127 1 1 718 . 14 1 1 A 61 61 GLN CB C 59 28.602 28.047 0.555 1 1 720 . 14 1 1 A 61 61 GLN N N 59 119.070 118.443 0.627 1 1 722 . 14 1 1 A 62 62 GLU H H 60 8.064 8.164 -0.100 1 1 723 . 14 1 1 A 62 62 GLU HA H 60 4.087 4.087 0.000 1 1 728 . 14 1 1 A 62 62 GLU C C 60 179.051 178.690 0.361 1 1 729 . 14 1 1 A 62 62 GLU CA C 60 59.659 59.438 0.221 1 1 730 . 14 1 1 A 62 62 GLU CB C 60 30.457 29.424 1.033 1 1 732 . 14 1 1 A 62 62 GLU N N 60 117.166 120.126 -2.960 1 1 733 . 14 1 1 A 63 63 TYR H H 61 7.924 8.034 -0.110 1 1 734 . 14 1 1 A 63 63 TYR HA H 61 4.254 4.195 0.059 1 1 741 . 14 1 1 A 63 63 TYR C C 61 178.617 177.418 1.199 1 1 742 . 14 1 1 A 63 63 TYR CA C 61 61.184 61.487 -0.303 1 1 743 . 14 1 1 A 63 63 TYR CB C 61 39.461 38.703 0.758 1 1 746 . 14 1 1 A 63 63 TYR N N 61 121.271 122.070 -0.799 1 1 747 . 14 1 1 A 64 64 LEU H H 62 8.260 9.008 -0.748 1 1 748 . 14 1 1 A 64 64 LEU HA H 62 3.966 3.944 0.022 1 1 758 . 14 1 1 A 64 64 LEU C C 62 179.553 179.139 0.414 1 1 759 . 14 1 1 A 64 64 LEU CA C 62 58.014 58.288 -0.274 1 1 760 . 14 1 1 A 64 64 LEU CB C 62 42.397 41.638 0.759 1 1 764 . 14 1 1 A 64 64 LEU N N 62 116.299 120.186 -3.887 1 1 765 . 14 1 1 A 65 65 GLU H H 63 8.454 8.011 0.443 1 1 766 . 14 1 1 A 65 65 GLU HA H 63 3.854 3.912 -0.058 1 1 771 . 14 1 1 A 65 65 GLU C C 63 179.279 179.230 0.049 1 1 772 . 14 1 1 A 65 65 GLU CA C 63 60.301 59.909 0.392 1 1 773 . 14 1 1 A 65 65 GLU CB C 63 29.870 29.489 0.381 1 1 775 . 14 1 1 A 65 65 GLU N N 63 118.616 117.933 0.683 1 1 776 . 14 1 1 A 66 66 LYS H H 64 7.575 8.110 -0.535 1 1 777 . 14 1 1 A 66 66 LYS HA H 64 4.225 4.058 0.167 1 1 786 . 14 1 1 A 66 66 LYS C C 64 178.457 178.767 -0.310 1 1 787 . 14 1 1 A 66 66 LYS CA C 64 58.496 59.208 -0.712 1 1 788 . 14 1 1 A 66 66 LYS CB C 64 32.400 32.008 0.392 1 1 792 . 14 1 1 A 66 66 LYS N N 64 117.166 118.310 -1.144 1 1 793 . 14 1 1 A 67 67 CYS H H 65 7.918 7.978 -0.060 1 1 794 . 14 1 1 A 67 67 CYS HA H 65 4.526 4.049 0.477 1 1 797 . 14 1 1 A 67 67 CYS C C 65 174.893 177.559 -2.666 1 1 798 . 14 1 1 A 67 67 CYS CA C 65 56.329 62.149 -5.820 1 1 799 . 14 1 1 A 67 67 CYS CB C 65 45.235 26.856 18.379 1 1 800 . 14 1 1 A 67 67 CYS N N 65 115.330 118.505 -3.175 1 1 801 . 14 1 1 A 68 68 LEU H H 66 7.559 8.382 -0.823 1 1 802 . 14 1 1 A 68 68 LEU HA H 66 4.491 4.057 0.434 1 1 812 . 14 1 1 A 68 68 LEU C C 66 176.812 178.510 -1.698 1 1 813 . 14 1 1 A 68 68 LEU CA C 66 55.366 58.187 -2.821 1 1 814 . 14 1 1 A 68 68 LEU CB C 66 43.278 41.772 1.506 1 1 818 . 14 1 1 A 68 68 LEU N N 66 120.930 121.881 -0.951 1 1 819 . 14 1 1 A 69 69 ASN H H 67 8.265 8.146 0.119 1 1 820 . 14 1 1 A 69 69 ASN HA H 67 4.669 4.410 0.259 1 1 825 . 14 1 1 A 69 69 ASN CA C 67 53.761 56.919 -3.158 1 1 826 . 14 1 1 A 69 69 ASN CB C 67 39.069 39.185 -0.116 1 1 827 . 14 1 1 A 69 69 ASN N N 67 120.279 117.016 3.263 1 1 852 . 14 2 2 B 4 4 GLU H H 102 8.342 8.564 -0.222 1 1 853 . 14 2 2 B 4 4 GLU HA H 102 4.282 4.835 -0.553 1 1 858 . 14 2 2 B 4 4 GLU C C 102 177.132 177.257 -0.125 1 1 859 . 14 2 2 B 4 4 GLU CA C 102 57.410 54.351 3.059 1 1 861 . 14 2 2 B 4 4 GLU N N 102 121.884 119.164 2.720 1 1 862 . 14 2 2 B 5 5 GLY H H 103 8.331 8.919 -0.588 1 1 863 . 14 2 2 B 5 5 GLY HA2 H 103 3.960 3.852 0.108 1 1 864 . 14 2 2 B 5 5 GLY HA3 H 103 3.960 3.878 0.082 1 1 865 . 14 2 2 B 5 5 GLY C C 103 174.207 174.694 -0.487 1 1 866 . 14 2 2 B 5 5 GLY CA C 103 45.731 47.370 -1.639 1 1 867 . 14 2 2 B 5 5 GLY N N 103 110.055 109.079 0.976 1 1 868 . 14 2 2 B 6 6 ILE H H 104 7.831 8.320 -0.489 1 1 869 . 14 2 2 B 6 6 ILE HA H 104 4.286 4.049 0.237 1 1 879 . 14 2 2 B 6 6 ILE C C 104 176.401 176.507 -0.106 1 1 880 . 14 2 2 B 6 6 ILE CA C 104 61.558 64.396 -2.838 1 1 881 . 14 2 2 B 6 6 ILE CB C 104 39.436 38.133 1.303 1 1 885 . 14 2 2 B 6 6 ILE N N 104 119.606 123.319 -3.713 1 1 886 . 14 2 2 B 7 7 SER H H 105 8.350 8.101 0.249 1 1 887 . 14 2 2 B 7 7 SER HA H 105 4.545 4.750 -0.205 1 1 890 . 14 2 2 B 7 7 SER C C 105 174.550 173.747 0.803 1 1 891 . 14 2 2 B 7 7 SER CA C 105 58.667 57.132 1.535 1 1 892 . 14 2 2 B 7 7 SER CB C 105 64.072 64.163 -0.091 1 1 893 . 14 2 2 B 7 7 SER N N 105 119.853 112.775 7.078 1 1 894 . 14 2 2 B 8 8 ILE H H 106 7.921 7.245 0.676 1 1 895 . 14 2 2 B 8 8 ILE HA H 106 4.205 3.929 0.276 1 1 905 . 14 2 2 B 8 8 ILE C C 106 175.921 175.272 0.649 1 1 906 . 14 2 2 B 8 8 ILE CA C 106 61.935 61.404 0.531 1 1 907 . 14 2 2 B 8 8 ILE CB C 106 39.436 37.846 1.590 1 1 911 . 14 2 2 B 8 8 ILE N N 106 121.730 122.517 -0.787 1 1 912 . 14 2 2 B 9 9 TYR H H 107 8.166 7.746 0.420 1 1 913 . 14 2 2 B 9 9 TYR HA H 107 4.713 4.524 0.189 1 1 920 . 14 2 2 B 9 9 TYR C C 107 176.058 175.725 0.333 1 1 921 . 14 2 2 B 9 9 TYR CA C 107 58.165 58.093 0.072 1 1 922 . 14 2 2 B 9 9 TYR CB C 107 39.436 38.483 0.953 1 1 925 . 14 2 2 B 9 9 TYR N N 107 123.598 124.150 -0.552 1 1 926 . 14 2 2 B 10 10 THR H H 108 7.961 8.814 -0.853 1 1 927 . 14 2 2 B 10 10 THR HA H 108 4.433 4.813 -0.380 1 1 932 . 14 2 2 B 10 10 THR C C 108 174.459 174.646 -0.187 1 1 933 . 14 2 2 B 10 10 THR CA C 108 62.061 61.169 0.892 1 1 934 . 14 2 2 B 10 10 THR CB C 108 70.608 69.811 0.797 1 1 936 . 14 2 2 B 10 10 THR N N 108 115.642 120.001 -4.359 1 1 937 . 14 2 2 B 11 11 SER H H 109 8.211 8.755 -0.544 1 1 938 . 14 2 2 B 11 11 SER HA H 109 4.507 4.277 0.230 1 1 941 . 14 2 2 B 11 11 SER C C 109 174.504 174.062 0.442 1 1 942 . 14 2 2 B 11 11 SER CA C 109 58.919 59.123 -0.204 1 1 943 . 14 2 2 B 11 11 SER CB C 109 64.198 61.887 2.311 1 1 944 . 14 2 2 B 11 11 SER N N 109 117.260 120.277 -3.017 1 1 945 . 14 2 2 B 12 12 ASP H H 110 8.351 8.239 0.112 1 1 946 . 14 2 2 B 12 12 ASP HA H 110 4.631 4.596 0.035 1 1 949 . 14 2 2 B 12 12 ASP C C 110 176.058 175.951 0.107 1 1 950 . 14 2 2 B 12 12 ASP CA C 110 55.022 55.259 -0.237 1 1 951 . 14 2 2 B 12 12 ASP CB C 110 41.825 41.568 0.257 1 1 952 . 14 2 2 B 12 12 ASP N N 110 122.020 125.810 -3.790 1 1 953 . 14 2 2 B 13 13 ASN H H 111 8.230 7.878 0.352 1 1 954 . 14 2 2 B 13 13 ASN HA H 111 4.726 4.354 0.372 1 1 957 . 14 2 2 B 13 13 ASN C C 111 175.030 174.536 0.494 1 1 958 . 14 2 2 B 13 13 ASN CA C 111 53.765 54.595 -0.830 1 1 959 . 14 2 2 B 13 13 ASN CB C 111 39.562 37.856 1.706 1 1 960 . 14 2 2 B 13 13 ASN N N 111 118.317 117.627 0.690 1 1 961 . 14 2 2 B 14 14 TYR H H 112 8.101 7.949 0.152 1 1 962 . 14 2 2 B 14 14 TYR HA H 112 4.638 4.705 -0.067 1 1 969 . 14 2 2 B 14 14 TYR C C 112 176.081 175.797 0.284 1 1 970 . 14 2 2 B 14 14 TYR CA C 112 58.793 58.367 0.426 1 1 971 . 14 2 2 B 14 14 TYR CB C 112 39.436 40.056 -0.620 1 1 974 . 14 2 2 B 14 14 TYR N N 112 120.850 119.778 1.072 1 1 975 . 14 2 2 B 15 15 THR H H 113 7.879 8.073 -0.194 1 1 976 . 14 2 2 B 15 15 THR HA H 113 4.284 4.339 -0.055 1 1 981 . 14 2 2 B 15 15 THR C C 113 174.413 175.417 -1.004 1 1 982 . 14 2 2 B 15 15 THR CA C 113 62.187 61.156 1.031 1 1 983 . 14 2 2 B 15 15 THR CB C 113 70.341 67.791 2.550 1 1 985 . 14 2 2 B 15 15 THR N N 113 116.126 115.343 0.783 1 1 986 . 14 2 2 B 16 16 GLU H H 114 8.253 8.246 0.007 1 1 987 . 14 2 2 B 16 16 GLU HA H 114 4.256 4.429 -0.173 1 1 992 . 14 2 2 B 16 16 GLU C C 114 176.766 175.848 0.918 1 1 993 . 14 2 2 B 16 16 GLU CA C 114 57.410 57.463 -0.053 1 1 994 . 14 2 2 B 16 16 GLU CB C 114 30.620 28.479 2.141 1 1 996 . 14 2 2 B 16 16 GLU N N 114 123.052 122.235 0.817 1 1 997 . 14 2 2 B 17 17 GLU H H 115 8.331 7.581 0.750 1 1 998 . 14 2 2 B 17 17 GLU HA H 115 4.292 4.936 -0.644 1 1 1003 . 14 2 2 B 17 17 GLU C C 115 176.880 174.843 2.037 1 1 1004 . 14 2 2 B 17 17 GLU CA C 115 57.410 55.759 1.651 1 1 1005 . 14 2 2 B 17 17 GLU CB C 115 30.525 33.025 -2.500 1 1 1007 . 14 2 2 B 17 17 GLU N N 115 121.688 119.898 1.790 1 1 1008 . 14 2 2 B 18 18 MET H H 116 8.317 8.869 -0.552 1 1 1009 . 14 2 2 B 18 18 MET HA H 116 4.490 4.627 -0.137 1 1 1014 . 14 2 2 B 18 18 MET C C 116 177.086 176.700 0.386 1 1 1015 . 14 2 2 B 18 18 MET CA C 116 56.279 56.953 -0.674 1 1 1016 . 14 2 2 B 18 18 MET CB C 116 33.026 34.276 -1.250 1 1 1017 . 14 2 2 B 18 18 MET N N 116 121.270 125.195 -3.925 1 1 1018 . 14 2 2 B 19 19 GLY H H 117 8.320 8.139 0.181 1 1 1019 . 14 2 2 B 19 19 GLY HA2 H 117 4.054 3.953 0.101 1 1 1020 . 14 2 2 B 19 19 GLY HA3 H 117 4.054 3.958 0.096 1 1 1021 . 14 2 2 B 19 19 GLY C C 117 174.481 174.118 0.363 1 1 1022 . 14 2 2 B 19 19 GLY CA C 117 45.847 46.676 -0.829 1 1 1023 . 14 2 2 B 19 19 GLY N N 117 110.055 107.617 2.438 1 1 1024 . 14 2 2 B 20 20 SER H H 118 8.230 7.826 0.404 1 1 1025 . 14 2 2 B 20 20 SER HA H 118 4.476 4.924 -0.448 1 1 1028 . 14 2 2 B 20 20 SER C C 118 175.327 173.415 1.912 1 1 1029 . 14 2 2 B 20 20 SER CA C 118 58.919 56.618 2.301 1 1 1030 . 14 2 2 B 20 20 SER CB C 118 64.575 64.711 -0.136 1 1 1031 . 14 2 2 B 20 20 SER N N 118 115.664 114.701 0.963 1 1 1032 . 14 2 2 B 21 21 GLY H H 119 8.371 8.899 -0.528 1 1 1033 . 14 2 2 B 21 21 GLY HA2 H 119 3.951 4.414 -0.463 1 1 1034 . 14 2 2 B 21 21 GLY HA3 H 119 3.951 4.415 -0.464 1 1 1035 . 14 2 2 B 21 21 GLY C C 119 174.002 171.652 2.350 1 1 1036 . 14 2 2 B 21 21 GLY CA C 119 45.721 44.707 1.014 1 1 1037 . 14 2 2 B 21 21 GLY N N 119 110.872 114.070 -3.198 1 1 1068 . 14 2 2 B 25 25 SER H H 123 8.155 8.740 -0.585 1 1 1069 . 14 2 2 B 25 25 SER HA H 123 4.404 4.492 -0.088 1 1 1072 . 14 2 2 B 25 25 SER C C 123 175.075 173.217 1.858 1 1 1073 . 14 2 2 B 25 25 SER CA C 123 59.347 57.635 1.712 1 1 1074 . 14 2 2 B 25 25 SER CB C 123 63.879 61.627 2.252 1 1 1075 . 14 2 2 B 25 25 SER N N 123 116.126 121.958 -5.832 1 1 1076 . 14 2 2 B 26 26 MET H H 124 8.221 9.169 -0.948 1 1 1077 . 14 2 2 B 26 26 MET HA H 124 4.482 5.181 -0.699 1 1 1082 . 14 2 2 B 26 26 MET C C 124 176.355 174.749 1.606 1 1 1083 . 14 2 2 B 26 26 MET CA C 124 56.279 53.572 2.707 1 1 1084 . 14 2 2 B 26 26 MET CB C 124 32.900 35.296 -2.396 1 1 1086 . 14 2 2 B 26 26 MET N N 124 121.210 127.006 -5.796 1 1 1087 . 14 2 2 B 27 27 LYS H H 125 8.036 8.677 -0.641 1 1 1088 . 14 2 2 B 27 27 LYS HA H 125 4.333 5.191 -0.858 1 1 1097 . 14 2 2 B 27 27 LYS C C 125 176.355 174.890 1.465 1 1 1098 . 14 2 2 B 27 27 LYS CA C 125 56.656 54.552 2.104 1 1 1099 . 14 2 2 B 27 27 LYS CB C 125 33.529 36.358 -2.829 1 1 1103 . 14 2 2 B 27 27 LYS N N 125 121.457 119.127 2.330 1 1 1104 . 14 2 2 B 28 28 GLU H H 126 8.205 8.774 -0.569 1 1 1105 . 14 2 2 B 28 28 GLU N N 126 122.740 118.945 3.795 1 1 1106 . 14 2 2 B 29 29 PRO HA H 127 4.377 4.080 0.297 1 1 1113 . 14 2 2 B 29 29 PRO C C 127 176.812 176.651 0.161 1 1 1114 . 14 2 2 B 29 29 PRO CA C 127 63.821 64.180 -0.359 1 1 1115 . 14 2 2 B 29 29 PRO CB C 127 32.272 31.619 0.653 1 1 1118 . 14 2 2 B 30 30 ALA H H 128 8.273 7.811 0.462 1 1 1119 . 14 2 2 B 30 30 ALA HA H 128 4.287 4.014 0.273 1 1 1123 . 14 2 2 B 30 30 ALA C C 128 177.589 177.325 0.264 1 1 1124 . 14 2 2 B 30 30 ALA CA C 128 52.873 53.346 -0.473 1 1 1125 . 14 2 2 B 30 30 ALA CB C 128 19.703 17.904 1.799 1 1 1126 . 14 2 2 B 30 30 ALA N N 128 123.577 118.862 4.715 1 1 1127 . 14 2 2 B 31 31 PHE H H 129 8.019 7.826 0.193 1 1 1128 . 14 2 2 B 31 31 PHE HA H 129 4.621 4.531 0.090 1 1 1135 . 14 2 2 B 31 31 PHE C C 129 175.624 176.335 -0.711 1 1 1136 . 14 2 2 B 31 31 PHE CA C 129 58.039 60.011 -1.972 1 1 1137 . 14 2 2 B 31 31 PHE CB C 129 40.055 38.240 1.815 1 1 1140 . 14 2 2 B 31 31 PHE N N 129 118.994 116.362 2.632 1 1 1141 . 14 2 2 B 32 32 ARG H H 130 8.042 7.982 0.060 1 1 1142 . 14 2 2 B 32 32 ARG HA H 130 4.332 4.604 -0.272 1 1 1149 . 14 2 2 B 32 32 ARG C C 130 175.875 175.392 0.483 1 1 1150 . 14 2 2 B 32 32 ARG CA C 130 56.154 55.530 0.624 1 1 1151 . 14 2 2 B 32 32 ARG CB C 130 31.643 31.144 0.499 1 1 1154 . 14 2 2 B 32 32 ARG N N 130 122.929 114.821 8.108 1 1 1155 . 14 2 2 B 33 33 GLU H H 131 8.389 7.499 0.890 1 1 1156 . 14 2 2 B 33 33 GLU HA H 131 4.276 5.047 -0.771 1 1 1161 . 14 2 2 B 33 33 GLU C C 131 176.766 174.571 2.195 1 1 1162 . 14 2 2 B 33 33 GLU CA C 131 57.285 55.036 2.249 1 1 1163 . 14 2 2 B 33 33 GLU CB C 131 30.512 33.153 -2.641 1 1 1165 . 14 2 2 B 33 33 GLU N N 131 122.719 121.703 1.016 1 1 1166 . 14 2 2 B 34 34 GLU H H 132 8.502 8.929 -0.427 1 1 1167 . 14 2 2 B 34 34 GLU HA H 132 4.275 5.041 -0.766 1 1 1172 . 14 2 2 B 34 34 GLU C C 132 176.560 174.551 2.009 1 1 1173 . 14 2 2 B 34 34 GLU CA C 132 57.400 55.576 1.824 1 1 1174 . 14 2 2 B 34 34 GLU CB C 132 30.526 32.149 -1.623 1 1 1176 . 14 2 2 B 34 34 GLU N N 132 122.122 125.798 -3.676 1 1 1177 . 14 2 2 B 35 35 ASN H H 133 8.362 8.719 -0.357 1 1 1178 . 14 2 2 B 35 35 ASN HA H 133 4.693 5.216 -0.523 1 1 1181 . 14 2 2 B 35 35 ASN C C 133 175.258 174.441 0.817 1 1 1182 . 14 2 2 B 35 35 ASN CA C 133 53.765 52.751 1.014 1 1 1183 . 14 2 2 B 35 35 ASN CB C 133 39.562 40.158 -0.596 1 1 1184 . 14 2 2 B 35 35 ASN N N 133 119.552 125.082 -5.530 1 1 1185 . 14 2 2 B 36 36 ALA H H 134 8.155 8.654 -0.499 1 1 1186 . 14 2 2 B 36 36 ALA HA H 134 4.289 4.526 -0.237 1 1 1190 . 14 2 2 B 36 36 ALA C C 134 177.520 177.262 0.258 1 1 1191 . 14 2 2 B 36 36 ALA CA C 134 52.873 53.312 -0.439 1 1 1192 . 14 2 2 B 36 36 ALA CB C 134 19.703 21.840 -2.137 1 1 1193 . 14 2 2 B 36 36 ALA N N 134 124.376 127.850 -3.474 1 1 1194 . 14 2 2 B 37 37 ASN H H 135 8.210 7.917 0.293 1 1 1195 . 14 2 2 B 37 37 ASN HA H 135 4.694 4.843 -0.149 1 1 1198 . 14 2 2 B 37 37 ASN C C 135 175.144 174.287 0.857 1 1 1199 . 14 2 2 B 37 37 ASN CA C 135 53.640 52.592 1.048 1 1 1200 . 14 2 2 B 37 37 ASN CB C 135 39.311 38.916 0.395 1 1 1201 . 14 2 2 B 37 37 ASN N N 135 117.103 117.739 -0.636 1 1 1202 . 14 2 2 B 38 38 PHE H H 136 7.997 9.051 -1.054 1 1 1203 . 14 2 2 B 38 38 PHE HA H 136 4.659 5.261 -0.602 1 1 1210 . 14 2 2 B 38 38 PHE C C 136 175.601 174.315 1.286 1 1 1211 . 14 2 2 B 38 38 PHE CA C 136 58.165 56.566 1.599 1 1 1212 . 14 2 2 B 38 38 PHE CB C 136 39.939 42.648 -2.709 1 1 1215 . 14 2 2 B 38 38 PHE N N 136 120.229 128.187 -7.958 1 1 1216 . 14 2 2 B 39 39 ASN H H 137 8.272 8.087 0.185 1 1 1217 . 14 2 2 B 39 39 ASN HA H 137 4.733 5.102 -0.369 1 1 1220 . 14 2 2 B 39 39 ASN C C 137 174.047 172.808 1.239 1 1 1221 . 14 2 2 B 39 39 ASN CA C 137 53.891 51.588 2.303 1 1 1222 . 14 2 2 B 39 39 ASN CB C 137 39.688 42.347 -2.659 1 1 1223 . 14 2 2 B 39 39 ASN N N 137 120.594 125.987 -5.393 1 1 3 . 15 1 1 A 4 4 PRO HA H 2 4.509 4.828 -0.319 1 1 10 . 15 1 1 A 4 4 PRO C C 2 177.132 176.308 0.824 1 1 11 . 15 1 1 A 4 4 PRO CA C 2 63.529 62.388 1.141 1 1 12 . 15 1 1 A 4 4 PRO CB C 2 32.476 31.354 1.122 1 1 15 . 15 1 1 A 5 5 VAL H H 3 8.201 8.326 -0.125 1 1 16 . 15 1 1 A 5 5 VAL HA H 3 4.152 4.722 -0.570 1 1 24 . 15 1 1 A 5 5 VAL C C 3 176.423 173.987 2.436 1 1 25 . 15 1 1 A 5 5 VAL CA C 3 62.873 59.448 3.425 1 1 26 . 15 1 1 A 5 5 VAL CB C 3 33.455 34.252 -0.797 1 1 28 . 15 1 1 A 5 5 VAL N N 3 120.488 117.857 2.631 1 1 29 . 15 1 1 A 6 6 SER H H 4 8.276 8.808 -0.532 1 1 30 . 15 1 1 A 6 6 SER HA H 4 4.494 5.041 -0.547 1 1 33 . 15 1 1 A 6 6 SER C C 4 174.687 173.170 1.517 1 1 34 . 15 1 1 A 6 6 SER CA C 4 58.375 56.063 2.312 1 1 35 . 15 1 1 A 6 6 SER CB C 4 64.295 66.393 -2.098 1 1 36 . 15 1 1 A 6 6 SER N N 4 119.000 116.642 2.358 1 1 37 . 15 1 1 A 7 7 LEU H H 5 8.238 8.431 -0.193 1 1 38 . 15 1 1 A 7 7 LEU HA H 5 4.406 4.216 0.190 1 1 44 . 15 1 1 A 7 7 LEU C C 5 177.406 176.708 0.698 1 1 45 . 15 1 1 A 7 7 LEU CA C 5 55.766 54.603 1.163 1 1 46 . 15 1 1 A 7 7 LEU CB C 5 43.132 41.936 1.196 1 1 48 . 15 1 1 A 7 7 LEU N N 5 124.704 123.465 1.239 1 1 49 . 15 1 1 A 8 8 SER H H 6 8.148 8.607 -0.459 1 1 50 . 15 1 1 A 8 8 SER HA H 6 4.438 4.880 -0.442 1 1 53 . 15 1 1 A 8 8 SER C C 6 174.321 172.505 1.816 1 1 54 . 15 1 1 A 8 8 SER CA C 6 58.718 57.652 1.066 1 1 55 . 15 1 1 A 8 8 SER CB C 6 64.295 66.866 -2.571 1 1 56 . 15 1 1 A 8 8 SER N N 6 115.960 119.253 -3.293 1 1 57 . 15 1 1 A 9 9 TYR H H 7 7.954 9.092 -1.138 1 1 58 . 15 1 1 A 9 9 TYR HA H 7 4.585 4.709 -0.124 1 1 65 . 15 1 1 A 9 9 TYR C C 7 175.532 175.012 0.520 1 1 66 . 15 1 1 A 9 9 TYR CA C 7 58.335 57.037 1.298 1 1 67 . 15 1 1 A 9 9 TYR CB C 7 39.474 37.082 2.392 1 1 70 . 15 1 1 A 9 9 TYR N N 7 121.884 122.898 -1.014 1 1 71 . 15 1 1 A 10 10 ARG H H 8 8.117 8.547 -0.430 1 1 72 . 15 1 1 A 10 10 ARG HA H 8 4.349 4.615 -0.266 1 1 79 . 15 1 1 A 10 10 ARG C C 8 175.898 176.103 -0.205 1 1 80 . 15 1 1 A 10 10 ARG CA C 8 56.048 56.321 -0.273 1 1 81 . 15 1 1 A 10 10 ARG CB C 8 31.492 30.623 0.869 1 1 84 . 15 1 1 A 10 10 ARG N N 8 121.977 124.344 -2.367 1 1 85 . 15 1 1 A 11 11 CYS H H 9 8.127 8.452 -0.325 1 1 86 . 15 1 1 A 11 11 CYS HA H 9 4.984 5.064 -0.080 1 1 89 . 15 1 1 A 11 11 CYS C C 9 177.771 173.754 4.017 1 1 90 . 15 1 1 A 11 11 CYS CA C 9 53.192 54.042 -0.850 1 1 91 . 15 1 1 A 11 11 CYS CB C 9 40.897 45.742 -4.845 1 1 92 . 15 1 1 A 11 11 CYS N N 9 121.209 123.520 -2.311 1 1 93 . 15 1 1 A 12 12 PRO HA H 10 4.321 4.360 -0.039 1 1 100 . 15 1 1 A 12 12 PRO CA C 10 65.478 64.475 1.003 1 1 101 . 15 1 1 A 12 12 PRO CB C 10 32.904 31.827 1.077 1 1 104 . 15 1 1 A 13 13 CYS H H 11 8.633 7.592 1.041 1 1 105 . 15 1 1 A 13 13 CYS C C 11 174.618 173.453 1.165 1 1 106 . 15 1 1 A 13 13 CYS N N 11 114.595 115.099 -0.504 1 1 107 . 15 1 1 A 14 14 ARG H H 12 8.236 8.597 -0.361 1 1 108 . 15 1 1 A 14 14 ARG HA H 12 4.067 4.138 -0.071 1 1 115 . 15 1 1 A 14 14 ARG C C 12 175.098 175.027 0.071 1 1 116 . 15 1 1 A 14 14 ARG CA C 12 57.370 57.154 0.216 1 1 117 . 15 1 1 A 14 14 ARG CB C 12 31.631 30.261 1.370 1 1 120 . 15 1 1 A 14 14 ARG N N 12 122.779 120.783 1.996 1 1 121 . 15 1 1 A 15 15 PHE H H 13 7.615 7.492 0.123 1 1 122 . 15 1 1 A 15 15 PHE HA H 13 4.510 4.796 -0.286 1 1 129 . 15 1 1 A 15 15 PHE C C 13 174.162 174.419 -0.257 1 1 130 . 15 1 1 A 15 15 PHE CA C 13 56.289 56.187 0.102 1 1 131 . 15 1 1 A 15 15 PHE CB C 13 41.320 43.321 -2.001 1 1 134 . 15 1 1 A 15 15 PHE N N 13 116.797 118.757 -1.960 1 1 135 . 15 1 1 A 16 16 PHE H H 14 8.125 8.750 -0.625 1 1 136 . 15 1 1 A 16 16 PHE HA H 14 4.767 5.629 -0.862 1 1 143 . 15 1 1 A 16 16 PHE C C 14 175.441 174.452 0.989 1 1 144 . 15 1 1 A 16 16 PHE CA C 14 55.767 55.227 0.540 1 1 145 . 15 1 1 A 16 16 PHE CB C 14 41.320 42.326 -1.006 1 1 148 . 15 1 1 A 16 16 PHE N N 14 118.930 118.131 0.799 1 1 149 . 15 1 1 A 17 17 GLU H H 15 8.836 9.394 -0.558 1 1 150 . 15 1 1 A 17 17 GLU HA H 15 4.579 4.407 0.172 1 1 155 . 15 1 1 A 17 17 GLU C C 15 176.857 176.717 0.140 1 1 156 . 15 1 1 A 17 17 GLU CA C 15 56.289 57.516 -1.227 1 1 157 . 15 1 1 A 17 17 GLU CB C 15 31.173 30.153 1.020 1 1 159 . 15 1 1 A 17 17 GLU N N 15 122.929 123.365 -0.436 1 1 160 . 15 1 1 A 18 18 SER H H 16 8.751 8.887 -0.136 1 1 161 . 15 1 1 A 18 18 SER HA H 16 4.762 4.826 -0.064 1 1 164 . 15 1 1 A 18 18 SER C C 16 177.497 173.657 3.840 1 1 165 . 15 1 1 A 18 18 SER CA C 16 59.328 58.690 0.638 1 1 166 . 15 1 1 A 18 18 SER CB C 16 64.515 64.243 0.272 1 1 167 . 15 1 1 A 18 18 SER N N 16 118.860 119.635 -0.775 1 1 168 . 15 1 1 A 19 19 HIS H H 17 8.761 7.746 1.015 1 1 169 . 15 1 1 A 19 19 HIS HA H 17 4.859 5.035 -0.176 1 1 174 . 15 1 1 A 19 19 HIS C C 17 174.618 174.061 0.557 1 1 175 . 15 1 1 A 19 19 HIS CA C 17 56.449 54.106 2.343 1 1 176 . 15 1 1 A 19 19 HIS CB C 17 29.870 30.072 -0.202 1 1 179 . 15 1 1 A 19 19 HIS N N 17 120.535 119.305 1.230 1 1 180 . 15 1 1 A 20 20 VAL H H 18 7.157 8.870 -1.713 1 1 181 . 15 1 1 A 20 20 VAL HA H 18 4.181 4.941 -0.760 1 1 189 . 15 1 1 A 20 20 VAL C C 18 174.436 174.189 0.247 1 1 190 . 15 1 1 A 20 20 VAL CA C 18 62.167 59.608 2.559 1 1 191 . 15 1 1 A 20 20 VAL CB C 18 34.426 35.891 -1.465 1 1 193 . 15 1 1 A 20 20 VAL N N 18 120.872 117.690 3.182 1 1 194 . 15 1 1 A 21 21 ALA H H 19 8.521 8.635 -0.114 1 1 195 . 15 1 1 A 21 21 ALA HA H 19 4.372 4.326 0.046 1 1 199 . 15 1 1 A 21 21 ALA C C 19 177.657 178.190 -0.533 1 1 200 . 15 1 1 A 21 21 ALA CA C 19 51.193 51.506 -0.313 1 1 201 . 15 1 1 A 21 21 ALA CB C 19 19.790 19.446 0.344 1 1 202 . 15 1 1 A 21 21 ALA N N 19 131.339 126.086 5.253 1 1 203 . 15 1 1 A 22 22 ARG H H 20 7.790 8.046 -0.256 1 1 204 . 15 1 1 A 22 22 ARG HA H 20 2.445 3.281 -0.836 1 1 211 . 15 1 1 A 22 22 ARG C C 20 178.365 177.023 1.342 1 1 212 . 15 1 1 A 22 22 ARG CA C 20 59.379 57.449 1.930 1 1 213 . 15 1 1 A 22 22 ARG CB C 20 29.572 28.845 0.727 1 1 216 . 15 1 1 A 22 22 ARG N N 20 124.365 122.763 1.602 1 1 217 . 15 1 1 A 23 23 ALA H H 21 8.120 7.419 0.701 1 1 218 . 15 1 1 A 23 23 ALA HA H 21 4.060 4.106 -0.046 1 1 222 . 15 1 1 A 23 23 ALA C C 21 178.000 178.189 -0.189 1 1 223 . 15 1 1 A 23 23 ALA CA C 21 54.100 53.567 0.533 1 1 224 . 15 1 1 A 23 23 ALA CB C 21 18.713 18.246 0.467 1 1 225 . 15 1 1 A 23 23 ALA N N 21 117.156 122.587 -5.431 1 1 226 . 15 1 1 A 24 24 ASN H H 22 7.717 7.879 -0.162 1 1 227 . 15 1 1 A 24 24 ASN HA H 22 5.010 4.746 0.264 1 1 232 . 15 1 1 A 24 24 ASN C C 22 174.938 174.839 0.099 1 1 233 . 15 1 1 A 24 24 ASN CA C 22 52.869 53.374 -0.505 1 1 234 . 15 1 1 A 24 24 ASN CB C 22 40.573 39.394 1.179 1 1 235 . 15 1 1 A 24 24 ASN N N 22 112.819 115.288 -2.469 1 1 237 . 15 1 1 A 25 25 VAL H H 23 7.489 7.372 0.117 1 1 238 . 15 1 1 A 25 25 VAL HA H 23 4.888 4.291 0.597 1 1 246 . 15 1 1 A 25 25 VAL C C 23 175.829 175.501 0.328 1 1 247 . 15 1 1 A 25 25 VAL CA C 23 59.870 60.447 -0.577 1 1 248 . 15 1 1 A 25 25 VAL CB C 23 35.396 33.596 1.800 1 1 251 . 15 1 1 A 25 25 VAL N N 23 119.721 117.315 2.406 1 1 252 . 15 1 1 A 26 26 LYS H H 24 9.479 9.395 0.084 1 1 253 . 15 1 1 A 26 26 LYS HA H 24 4.353 4.329 0.024 1 1 262 . 15 1 1 A 26 26 LYS C C 24 176.606 176.681 -0.075 1 1 263 . 15 1 1 A 26 26 LYS CA C 24 58.977 57.466 1.511 1 1 264 . 15 1 1 A 26 26 LYS CB C 24 34.567 33.035 1.532 1 1 268 . 15 1 1 A 26 26 LYS N N 24 127.843 122.104 5.739 1 1 269 . 15 1 1 A 27 27 HIS H H 25 7.237 7.534 -0.297 1 1 270 . 15 1 1 A 27 27 HIS HA H 25 4.979 4.938 0.041 1 1 275 . 15 1 1 A 27 27 HIS C C 25 178.434 172.510 5.924 1 1 276 . 15 1 1 A 27 27 HIS CA C 25 55.406 54.774 0.632 1 1 277 . 15 1 1 A 27 27 HIS CB C 25 32.480 31.442 1.038 1 1 280 . 15 1 1 A 27 27 HIS N N 25 109.556 113.895 -4.339 1 1 281 . 15 1 1 A 28 28 LEU H H 26 8.189 8.702 -0.513 1 1 282 . 15 1 1 A 28 28 LEU HA H 26 5.190 5.314 -0.124 1 1 292 . 15 1 1 A 28 28 LEU C C 26 175.510 175.666 -0.156 1 1 293 . 15 1 1 A 28 28 LEU CA C 26 53.480 53.501 -0.021 1 1 294 . 15 1 1 A 28 28 LEU CB C 26 45.235 45.712 -0.477 1 1 298 . 15 1 1 A 28 28 LEU N N 26 117.260 119.707 -2.447 1 1 299 . 15 1 1 A 29 29 LYS H H 27 9.572 8.635 0.937 1 1 300 . 15 1 1 A 29 29 LYS HA H 27 5.372 5.019 0.353 1 1 309 . 15 1 1 A 29 29 LYS C C 27 174.801 174.096 0.705 1 1 310 . 15 1 1 A 29 29 LYS CA C 27 55.165 55.434 -0.269 1 1 311 . 15 1 1 A 29 29 LYS CB C 27 35.253 36.314 -1.061 1 1 315 . 15 1 1 A 29 29 LYS N N 27 123.488 121.685 1.803 1 1 316 . 15 1 1 A 30 30 ILE H H 28 9.136 8.785 0.351 1 1 317 . 15 1 1 A 30 30 ILE HA H 28 4.926 5.168 -0.242 1 1 327 . 15 1 1 A 30 30 ILE C C 28 176.949 175.274 1.675 1 1 328 . 15 1 1 A 30 30 ILE CA C 28 60.542 59.956 0.586 1 1 329 . 15 1 1 A 30 30 ILE CB C 28 39.600 40.730 -1.130 1 1 333 . 15 1 1 A 30 30 ILE N N 28 123.846 126.494 -2.648 1 1 334 . 15 1 1 A 31 31 LEU H H 29 8.830 8.555 0.275 1 1 335 . 15 1 1 A 31 31 LEU HA H 29 4.535 4.892 -0.357 1 1 344 . 15 1 1 A 31 31 LEU C C 29 176.012 175.120 0.892 1 1 345 . 15 1 1 A 31 31 LEU CA C 29 55.366 54.109 1.257 1 1 346 . 15 1 1 A 31 31 LEU CB C 29 43.180 44.699 -1.519 1 1 349 . 15 1 1 A 31 31 LEU N N 29 128.649 126.236 2.413 1 1 350 . 15 1 1 A 32 32 ASN H H 30 8.216 8.903 -0.687 1 1 351 . 15 1 1 A 32 32 ASN HA H 30 5.013 4.988 0.025 1 1 356 . 15 1 1 A 32 32 ASN C C 30 174.664 174.786 -0.122 1 1 357 . 15 1 1 A 32 32 ASN CA C 30 52.517 52.023 0.494 1 1 358 . 15 1 1 A 32 32 ASN CB C 30 38.776 39.216 -0.440 1 1 359 . 15 1 1 A 32 32 ASN N N 30 120.791 123.730 -2.939 1 1 361 . 15 1 1 A 33 33 THR H H 31 7.883 8.935 -1.052 1 1 362 . 15 1 1 A 33 33 THR HA H 31 4.842 4.898 -0.056 1 1 367 . 15 1 1 A 33 33 THR CA C 31 58.369 59.984 -1.615 1 1 368 . 15 1 1 A 33 33 THR CB C 31 70.018 68.906 1.112 1 1 370 . 15 1 1 A 33 33 THR N N 31 115.811 116.866 -1.055 1 1 371 . 15 1 1 A 34 34 PRO HA H 32 4.317 4.461 -0.144 1 1 378 . 15 1 1 A 34 34 PRO CA C 32 65.164 63.928 1.236 1 1 379 . 15 1 1 A 34 34 PRO CB C 32 32.484 31.527 0.957 1 1 382 . 15 1 1 A 35 35 ASN H H 33 8.254 8.121 0.133 1 1 383 . 15 1 1 A 35 35 ASN HA H 33 4.651 4.838 -0.187 1 1 388 . 15 1 1 A 35 35 ASN C C 33 174.710 174.626 0.084 1 1 389 . 15 1 1 A 35 35 ASN CA C 33 54.532 53.130 1.402 1 1 390 . 15 1 1 A 35 35 ASN CB C 33 39.167 40.191 -1.024 1 1 391 . 15 1 1 A 35 35 ASN N N 33 120.081 115.490 4.591 1 1 393 . 15 1 1 A 36 36 CYS H H 34 7.548 7.662 -0.114 1 1 394 . 15 1 1 A 36 36 CYS HA H 34 4.694 5.054 -0.360 1 1 397 . 15 1 1 A 36 36 CYS C C 34 173.865 173.905 -0.040 1 1 398 . 15 1 1 A 36 36 CYS CA C 34 55.447 54.862 0.585 1 1 399 . 15 1 1 A 36 36 CYS CB C 34 45.228 47.267 -2.039 1 1 400 . 15 1 1 A 36 36 CYS N N 34 117.076 117.141 -0.065 1 1 401 . 15 1 1 A 37 37 ALA H H 35 8.472 8.525 -0.053 1 1 402 . 15 1 1 A 37 37 ALA HA H 35 4.236 4.165 0.071 1 1 406 . 15 1 1 A 37 37 ALA C C 35 176.423 177.136 -0.713 1 1 407 . 15 1 1 A 37 37 ALA CA C 35 53.537 55.458 -1.921 1 1 408 . 15 1 1 A 37 37 ALA CB C 35 19.202 19.391 -0.189 1 1 409 . 15 1 1 A 37 37 ALA N N 35 125.153 124.186 0.967 1 1 410 . 15 1 1 A 38 38 CYS H H 36 8.316 7.706 0.610 1 1 411 . 15 1 1 A 38 38 CYS HA H 36 4.196 4.738 -0.542 1 1 414 . 15 1 1 A 38 38 CYS C C 36 173.705 172.474 1.231 1 1 415 . 15 1 1 A 38 38 CYS CA C 36 58.616 58.325 0.291 1 1 416 . 15 1 1 A 38 38 CYS CB C 36 45.705 30.716 14.989 1 1 417 . 15 1 1 A 38 38 CYS N N 36 118.837 112.774 6.063 1 1 418 . 15 1 1 A 39 39 GLN H H 37 8.921 8.768 0.153 1 1 419 . 15 1 1 A 39 39 GLN HA H 37 4.609 4.938 -0.329 1 1 426 . 15 1 1 A 39 39 GLN C C 37 173.636 174.346 -0.710 1 1 427 . 15 1 1 A 39 39 GLN CA C 37 54.603 54.580 0.023 1 1 428 . 15 1 1 A 39 39 GLN CB C 37 31.761 32.990 -1.229 1 1 430 . 15 1 1 A 39 39 GLN N N 37 128.567 123.742 4.825 1 1 432 . 15 1 1 A 40 40 ILE H H 38 8.893 8.359 0.534 1 1 433 . 15 1 1 A 40 40 ILE HA H 38 5.068 4.937 0.131 1 1 443 . 15 1 1 A 40 40 ILE C C 38 174.390 175.470 -1.080 1 1 444 . 15 1 1 A 40 40 ILE CA C 38 60.582 60.168 0.414 1 1 445 . 15 1 1 A 40 40 ILE CB C 38 40.048 39.671 0.377 1 1 449 . 15 1 1 A 40 40 ILE N N 38 123.962 124.025 -0.063 1 1 450 . 15 1 1 A 41 41 VAL H H 39 9.120 9.523 -0.403 1 1 451 . 15 1 1 A 41 41 VAL HA H 39 4.845 4.962 -0.117 1 1 459 . 15 1 1 A 41 41 VAL C C 39 175.487 174.731 0.756 1 1 460 . 15 1 1 A 41 41 VAL CA C 39 59.980 60.740 -0.760 1 1 461 . 15 1 1 A 41 41 VAL CB C 39 35.868 34.667 1.201 1 1 464 . 15 1 1 A 41 41 VAL N N 39 126.354 127.185 -0.831 1 1 465 . 15 1 1 A 42 42 ALA H H 40 9.513 9.071 0.442 1 1 466 . 15 1 1 A 42 42 ALA HA H 40 5.154 5.161 -0.007 1 1 470 . 15 1 1 A 42 42 ALA C C 40 175.944 175.861 0.083 1 1 471 . 15 1 1 A 42 42 ALA CA C 40 50.591 50.446 0.145 1 1 472 . 15 1 1 A 42 42 ALA CB C 40 22.432 23.077 -0.645 1 1 473 . 15 1 1 A 42 42 ALA N N 40 128.406 128.263 0.143 1 1 474 . 15 1 1 A 43 43 ARG H H 41 7.717 8.391 -0.674 1 1 475 . 15 1 1 A 43 43 ARG HA H 41 4.979 4.690 0.289 1 1 482 . 15 1 1 A 43 43 ARG C C 41 175.510 175.793 -0.283 1 1 483 . 15 1 1 A 43 43 ARG CA C 41 54.162 55.421 -1.259 1 1 484 . 15 1 1 A 43 43 ARG CB C 41 31.200 31.474 -0.274 1 1 487 . 15 1 1 A 43 43 ARG N N 41 121.663 120.821 0.842 1 1 488 . 15 1 1 A 44 44 LEU H H 42 9.163 8.721 0.442 1 1 489 . 15 1 1 A 44 44 LEU HA H 42 5.033 4.576 0.457 1 1 499 . 15 1 1 A 44 44 LEU C C 42 177.840 177.233 0.607 1 1 500 . 15 1 1 A 44 44 LEU CA C 42 54.724 54.207 0.517 1 1 501 . 15 1 1 A 44 44 LEU CB C 42 41.712 42.276 -0.564 1 1 505 . 15 1 1 A 44 44 LEU N N 42 129.087 124.719 4.368 1 1 506 . 15 1 1 A 45 45 LYS H H 43 8.417 9.252 -0.835 1 1 507 . 15 1 1 A 45 45 LYS HA H 43 3.950 4.026 -0.076 1 1 516 . 15 1 1 A 45 45 LYS CA C 43 59.016 56.972 2.044 1 1 517 . 15 1 1 A 45 45 LYS CB C 43 34.102 32.921 1.181 1 1 520 . 15 1 1 A 45 45 LYS N N 43 119.674 122.495 -2.821 1 1 521 . 15 1 1 A 48 48 ASN HA H 46 4.723 5.258 -0.535 1 1 526 . 15 1 1 A 48 48 ASN C C 46 175.098 174.392 0.706 1 1 527 . 15 1 1 A 48 48 ASN CA C 46 54.764 51.694 3.070 1 1 528 . 15 1 1 A 48 48 ASN CB C 46 39.265 41.893 -2.628 1 1 530 . 15 1 1 A 49 49 ARG H H 47 7.919 8.353 -0.434 1 1 531 . 15 1 1 A 49 49 ARG HA H 47 4.353 4.661 -0.308 1 1 538 . 15 1 1 A 49 49 ARG C C 47 175.601 175.380 0.221 1 1 539 . 15 1 1 A 49 49 ARG CA C 47 57.051 54.556 2.495 1 1 540 . 15 1 1 A 49 49 ARG CB C 47 32.121 30.734 1.387 1 1 543 . 15 1 1 A 49 49 ARG N N 47 119.826 118.749 1.077 1 1 544 . 15 1 1 A 50 50 GLN H H 48 8.547 8.949 -0.402 1 1 545 . 15 1 1 A 50 50 GLN HA H 48 5.456 5.170 0.286 1 1 552 . 15 1 1 A 50 50 GLN C C 48 175.578 174.421 1.157 1 1 553 . 15 1 1 A 50 50 GLN CA C 48 55.125 53.883 1.242 1 1 554 . 15 1 1 A 50 50 GLN CB C 48 32.121 32.551 -0.430 1 1 556 . 15 1 1 A 50 50 GLN N N 48 120.767 114.521 6.246 1 1 558 . 15 1 1 A 51 51 VAL H H 49 8.630 8.801 -0.171 1 1 559 . 15 1 1 A 51 51 VAL HA H 49 4.826 4.825 0.001 1 1 567 . 15 1 1 A 51 51 VAL C C 49 175.258 174.217 1.041 1 1 568 . 15 1 1 A 51 51 VAL CA C 49 59.338 59.091 0.247 1 1 569 . 15 1 1 A 51 51 VAL CB C 49 36.155 35.570 0.585 1 1 572 . 15 1 1 A 51 51 VAL N N 49 116.678 116.527 0.151 1 1 573 . 15 1 1 A 52 52 CYS H H 50 9.100 8.173 0.927 1 1 574 . 15 1 1 A 52 52 CYS HA H 50 5.301 5.229 0.072 1 1 577 . 15 1 1 A 52 52 CYS C C 50 174.527 173.315 1.212 1 1 578 . 15 1 1 A 52 52 CYS CA C 50 58.054 55.010 3.044 1 1 579 . 15 1 1 A 52 52 CYS CB C 50 43.375 43.789 -0.414 1 1 580 . 15 1 1 A 52 52 CYS N N 50 124.549 120.401 4.148 1 1 581 . 15 1 1 A 53 53 ILE H H 51 8.485 9.379 -0.894 1 1 582 . 15 1 1 A 53 53 ILE HA H 51 4.964 4.772 0.192 1 1 592 . 15 1 1 A 53 53 ILE C C 51 173.019 175.019 -2.000 1 1 593 . 15 1 1 A 53 53 ILE CA C 51 58.897 60.002 -1.105 1 1 594 . 15 1 1 A 53 53 ILE CB C 51 42.201 40.973 1.228 1 1 598 . 15 1 1 A 53 53 ILE N N 51 122.581 124.836 -2.255 1 1 599 . 15 1 1 A 54 54 ASP H H 52 7.661 8.434 -0.773 1 1 600 . 15 1 1 A 54 54 ASP HA H 52 3.642 4.095 -0.453 1 1 603 . 15 1 1 A 54 54 ASP CA C 52 51.574 51.650 -0.076 1 1 604 . 15 1 1 A 54 54 ASP CB C 52 42.515 41.998 0.517 1 1 605 . 15 1 1 A 54 54 ASP N N 52 125.772 126.585 -0.813 1 1 606 . 15 1 1 A 55 55 PRO HA H 53 4.025 4.192 -0.167 1 1 613 . 15 1 1 A 55 55 PRO C C 53 176.126 176.798 -0.672 1 1 614 . 15 1 1 A 55 55 PRO CA C 53 63.993 63.925 0.068 1 1 615 . 15 1 1 A 55 55 PRO CB C 53 33.002 31.569 1.433 1 1 618 . 15 1 1 A 56 56 LYS H H 54 7.931 8.050 -0.119 1 1 619 . 15 1 1 A 56 56 LYS HA H 54 3.988 4.330 -0.342 1 1 628 . 15 1 1 A 56 56 LYS C C 54 177.931 176.222 1.709 1 1 629 . 15 1 1 A 56 56 LYS CA C 54 56.770 56.143 0.627 1 1 630 . 15 1 1 A 56 56 LYS CB C 54 32.023 33.158 -1.135 1 1 634 . 15 1 1 A 56 56 LYS N N 54 112.924 115.938 -3.014 1 1 635 . 15 1 1 A 57 57 LEU H H 55 7.162 7.287 -0.125 1 1 636 . 15 1 1 A 57 57 LEU HA H 55 4.059 3.957 0.102 1 1 646 . 15 1 1 A 57 57 LEU C C 55 179.416 177.855 1.561 1 1 647 . 15 1 1 A 57 57 LEU CA C 55 56.088 55.267 0.821 1 1 648 . 15 1 1 A 57 57 LEU CB C 55 42.191 42.762 -0.571 1 1 652 . 15 1 1 A 57 57 LEU N N 55 120.593 122.389 -1.796 1 1 653 . 15 1 1 A 58 58 LYS H H 56 8.720 8.966 -0.246 1 1 654 . 15 1 1 A 58 58 LYS HA H 56 3.920 3.833 0.087 1 1 663 . 15 1 1 A 58 58 LYS C C 56 178.937 178.025 0.912 1 1 664 . 15 1 1 A 58 58 LYS CA C 56 60.301 59.822 0.479 1 1 665 . 15 1 1 A 58 58 LYS CB C 56 32.121 32.452 -0.331 1 1 669 . 15 1 1 A 58 58 LYS N N 56 125.479 125.981 -0.502 1 1 670 . 15 1 1 A 59 59 TRP H H 57 7.811 8.254 -0.443 1 1 671 . 15 1 1 A 59 59 TRP HA H 57 4.664 4.524 0.140 1 1 680 . 15 1 1 A 59 59 TRP C C 57 178.868 179.415 -0.547 1 1 681 . 15 1 1 A 59 59 TRP CA C 57 58.897 59.845 -0.948 1 1 682 . 15 1 1 A 59 59 TRP CB C 57 28.036 28.040 -0.004 1 1 688 . 15 1 1 A 59 59 TRP N N 57 113.433 119.108 -5.675 1 1 690 . 15 1 1 A 60 60 ILE H H 58 6.467 7.193 -0.726 1 1 691 . 15 1 1 A 60 60 ILE HA H 58 3.325 3.371 -0.046 1 1 701 . 15 1 1 A 60 60 ILE C C 58 177.726 177.824 -0.098 1 1 702 . 15 1 1 A 60 60 ILE CA C 58 64.314 64.913 -0.599 1 1 703 . 15 1 1 A 60 60 ILE CB C 58 35.897 37.069 -1.172 1 1 707 . 15 1 1 A 60 60 ILE N N 58 124.379 122.312 2.067 1 1 708 . 15 1 1 A 61 61 GLN H H 59 7.624 8.647 -1.023 1 1 709 . 15 1 1 A 61 61 GLN HA H 59 3.755 3.883 -0.128 1 1 716 . 15 1 1 A 61 61 GLN C C 59 178.434 178.620 -0.186 1 1 717 . 15 1 1 A 61 61 GLN CA C 59 59.379 59.446 -0.067 1 1 718 . 15 1 1 A 61 61 GLN CB C 59 28.602 28.276 0.326 1 1 720 . 15 1 1 A 61 61 GLN N N 59 119.070 118.611 0.459 1 1 722 . 15 1 1 A 62 62 GLU H H 60 8.064 8.224 -0.160 1 1 723 . 15 1 1 A 62 62 GLU HA H 60 4.087 4.133 -0.046 1 1 728 . 15 1 1 A 62 62 GLU C C 60 179.051 178.590 0.461 1 1 729 . 15 1 1 A 62 62 GLU CA C 60 59.659 59.514 0.145 1 1 730 . 15 1 1 A 62 62 GLU CB C 60 30.457 29.115 1.342 1 1 732 . 15 1 1 A 62 62 GLU N N 60 117.166 118.634 -1.468 1 1 733 . 15 1 1 A 63 63 TYR H H 61 7.924 8.113 -0.189 1 1 734 . 15 1 1 A 63 63 TYR HA H 61 4.254 4.307 -0.053 1 1 741 . 15 1 1 A 63 63 TYR C C 61 178.617 177.532 1.085 1 1 742 . 15 1 1 A 63 63 TYR CA C 61 61.184 61.526 -0.342 1 1 743 . 15 1 1 A 63 63 TYR CB C 61 39.461 38.490 0.971 1 1 746 . 15 1 1 A 63 63 TYR N N 61 121.271 122.569 -1.298 1 1 747 . 15 1 1 A 64 64 LEU H H 62 8.260 9.112 -0.852 1 1 748 . 15 1 1 A 64 64 LEU HA H 62 3.966 3.990 -0.024 1 1 758 . 15 1 1 A 64 64 LEU C C 62 179.553 178.990 0.563 1 1 759 . 15 1 1 A 64 64 LEU CA C 62 58.014 58.338 -0.324 1 1 760 . 15 1 1 A 64 64 LEU CB C 62 42.397 41.829 0.568 1 1 764 . 15 1 1 A 64 64 LEU N N 62 116.299 120.213 -3.914 1 1 765 . 15 1 1 A 65 65 GLU H H 63 8.454 8.268 0.186 1 1 766 . 15 1 1 A 65 65 GLU HA H 63 3.854 3.913 -0.059 1 1 771 . 15 1 1 A 65 65 GLU C C 63 179.279 178.974 0.305 1 1 772 . 15 1 1 A 65 65 GLU CA C 63 60.301 59.818 0.483 1 1 773 . 15 1 1 A 65 65 GLU CB C 63 29.870 29.487 0.383 1 1 775 . 15 1 1 A 65 65 GLU N N 63 118.616 117.633 0.983 1 1 776 . 15 1 1 A 66 66 LYS H H 64 7.575 8.266 -0.691 1 1 777 . 15 1 1 A 66 66 LYS HA H 64 4.225 4.060 0.165 1 1 786 . 15 1 1 A 66 66 LYS C C 64 178.457 178.724 -0.267 1 1 787 . 15 1 1 A 66 66 LYS CA C 64 58.496 59.185 -0.689 1 1 788 . 15 1 1 A 66 66 LYS CB C 64 32.400 32.068 0.332 1 1 792 . 15 1 1 A 66 66 LYS N N 64 117.166 118.393 -1.227 1 1 793 . 15 1 1 A 67 67 CYS H H 65 7.918 8.303 -0.385 1 1 794 . 15 1 1 A 67 67 CYS HA H 65 4.526 4.072 0.454 1 1 797 . 15 1 1 A 67 67 CYS C C 65 174.893 177.410 -2.517 1 1 798 . 15 1 1 A 67 67 CYS CA C 65 56.329 62.139 -5.810 1 1 799 . 15 1 1 A 67 67 CYS CB C 65 45.235 27.131 18.104 1 1 800 . 15 1 1 A 67 67 CYS N N 65 115.330 118.605 -3.275 1 1 801 . 15 1 1 A 68 68 LEU H H 66 7.559 8.484 -0.925 1 1 802 . 15 1 1 A 68 68 LEU HA H 66 4.491 4.069 0.422 1 1 812 . 15 1 1 A 68 68 LEU C C 66 176.812 178.050 -1.238 1 1 813 . 15 1 1 A 68 68 LEU CA C 66 55.366 57.683 -2.317 1 1 814 . 15 1 1 A 68 68 LEU CB C 66 43.278 41.668 1.610 1 1 818 . 15 1 1 A 68 68 LEU N N 66 120.930 122.127 -1.197 1 1 819 . 15 1 1 A 69 69 ASN H H 67 8.265 7.955 0.310 1 1 820 . 15 1 1 A 69 69 ASN HA H 67 4.669 4.535 0.134 1 1 825 . 15 1 1 A 69 69 ASN CA C 67 53.761 55.799 -2.038 1 1 826 . 15 1 1 A 69 69 ASN CB C 67 39.069 38.681 0.388 1 1 827 . 15 1 1 A 69 69 ASN N N 67 120.279 116.016 4.263 1 1 852 . 15 2 2 B 4 4 GLU H H 102 8.342 8.083 0.259 1 1 853 . 15 2 2 B 4 4 GLU HA H 102 4.282 4.304 -0.022 1 1 858 . 15 2 2 B 4 4 GLU C C 102 177.132 176.714 0.418 1 1 859 . 15 2 2 B 4 4 GLU CA C 102 57.410 57.574 -0.164 1 1 861 . 15 2 2 B 4 4 GLU N N 102 121.884 119.128 2.756 1 1 862 . 15 2 2 B 5 5 GLY H H 103 8.331 8.583 -0.252 1 1 863 . 15 2 2 B 5 5 GLY HA2 H 103 3.960 4.180 -0.220 1 1 864 . 15 2 2 B 5 5 GLY HA3 H 103 3.960 4.182 -0.222 1 1 865 . 15 2 2 B 5 5 GLY C C 103 174.207 174.830 -0.623 1 1 866 . 15 2 2 B 5 5 GLY CA C 103 45.731 45.882 -0.151 1 1 867 . 15 2 2 B 5 5 GLY N N 103 110.055 111.397 -1.342 1 1 868 . 15 2 2 B 6 6 ILE H H 104 7.831 8.432 -0.601 1 1 869 . 15 2 2 B 6 6 ILE HA H 104 4.286 3.787 0.499 1 1 879 . 15 2 2 B 6 6 ILE C C 104 176.401 175.946 0.455 1 1 880 . 15 2 2 B 6 6 ILE CA C 104 61.558 63.941 -2.383 1 1 881 . 15 2 2 B 6 6 ILE CB C 104 39.436 37.988 1.448 1 1 885 . 15 2 2 B 6 6 ILE N N 104 119.606 121.657 -2.051 1 1 886 . 15 2 2 B 7 7 SER H H 105 8.350 7.936 0.414 1 1 887 . 15 2 2 B 7 7 SER HA H 105 4.545 4.752 -0.207 1 1 890 . 15 2 2 B 7 7 SER C C 105 174.550 173.781 0.769 1 1 891 . 15 2 2 B 7 7 SER CA C 105 58.667 56.605 2.062 1 1 892 . 15 2 2 B 7 7 SER CB C 105 64.072 66.160 -2.088 1 1 893 . 15 2 2 B 7 7 SER N N 105 119.853 113.256 6.597 1 1 894 . 15 2 2 B 8 8 ILE H H 106 7.921 8.691 -0.770 1 1 895 . 15 2 2 B 8 8 ILE HA H 106 4.205 3.958 0.247 1 1 905 . 15 2 2 B 8 8 ILE C C 106 175.921 176.907 -0.986 1 1 906 . 15 2 2 B 8 8 ILE CA C 106 61.935 62.767 -0.832 1 1 907 . 15 2 2 B 8 8 ILE CB C 106 39.436 38.001 1.435 1 1 911 . 15 2 2 B 8 8 ILE N N 106 121.730 122.369 -0.639 1 1 912 . 15 2 2 B 9 9 TYR H H 107 8.166 7.785 0.381 1 1 913 . 15 2 2 B 9 9 TYR HA H 107 4.713 4.744 -0.031 1 1 920 . 15 2 2 B 9 9 TYR C C 107 176.058 176.361 -0.303 1 1 921 . 15 2 2 B 9 9 TYR CA C 107 58.165 57.265 0.900 1 1 922 . 15 2 2 B 9 9 TYR CB C 107 39.436 40.556 -1.120 1 1 925 . 15 2 2 B 9 9 TYR N N 107 123.598 115.603 7.995 1 1 926 . 15 2 2 B 10 10 THR H H 108 7.961 8.416 -0.455 1 1 927 . 15 2 2 B 10 10 THR HA H 108 4.433 4.082 0.351 1 1 932 . 15 2 2 B 10 10 THR C C 108 174.459 174.224 0.235 1 1 933 . 15 2 2 B 10 10 THR CA C 108 62.061 65.405 -3.344 1 1 934 . 15 2 2 B 10 10 THR CB C 108 70.608 66.738 3.870 1 1 936 . 15 2 2 B 10 10 THR N N 108 115.642 111.015 4.627 1 1 937 . 15 2 2 B 11 11 SER H H 109 8.211 8.528 -0.317 1 1 938 . 15 2 2 B 11 11 SER HA H 109 4.507 4.350 0.157 1 1 941 . 15 2 2 B 11 11 SER C C 109 174.504 174.333 0.171 1 1 942 . 15 2 2 B 11 11 SER CA C 109 58.919 58.882 0.037 1 1 943 . 15 2 2 B 11 11 SER CB C 109 64.198 62.292 1.906 1 1 944 . 15 2 2 B 11 11 SER N N 109 117.260 115.611 1.649 1 1 945 . 15 2 2 B 12 12 ASP H H 110 8.351 8.863 -0.512 1 1 946 . 15 2 2 B 12 12 ASP HA H 110 4.631 4.598 0.033 1 1 949 . 15 2 2 B 12 12 ASP C C 110 176.058 175.992 0.066 1 1 950 . 15 2 2 B 12 12 ASP CA C 110 55.022 56.788 -1.766 1 1 951 . 15 2 2 B 12 12 ASP CB C 110 41.825 40.905 0.920 1 1 952 . 15 2 2 B 12 12 ASP N N 110 122.020 124.377 -2.357 1 1 953 . 15 2 2 B 13 13 ASN H H 111 8.230 8.049 0.181 1 1 954 . 15 2 2 B 13 13 ASN HA H 111 4.726 5.107 -0.381 1 1 957 . 15 2 2 B 13 13 ASN C C 111 175.030 174.049 0.981 1 1 958 . 15 2 2 B 13 13 ASN CA C 111 53.765 52.673 1.092 1 1 959 . 15 2 2 B 13 13 ASN CB C 111 39.562 40.642 -1.080 1 1 960 . 15 2 2 B 13 13 ASN N N 111 118.317 114.482 3.835 1 1 961 . 15 2 2 B 14 14 TYR H H 112 8.101 9.418 -1.317 1 1 962 . 15 2 2 B 14 14 TYR HA H 112 4.638 4.754 -0.116 1 1 969 . 15 2 2 B 14 14 TYR C C 112 176.081 175.619 0.462 1 1 970 . 15 2 2 B 14 14 TYR CA C 112 58.793 57.848 0.945 1 1 971 . 15 2 2 B 14 14 TYR CB C 112 39.436 39.007 0.429 1 1 974 . 15 2 2 B 14 14 TYR N N 112 120.850 127.232 -6.382 1 1 975 . 15 2 2 B 15 15 THR H H 113 7.879 8.125 -0.246 1 1 976 . 15 2 2 B 15 15 THR HA H 113 4.284 3.990 0.294 1 1 981 . 15 2 2 B 15 15 THR C C 113 174.413 175.016 -0.603 1 1 982 . 15 2 2 B 15 15 THR CA C 113 62.187 62.987 -0.800 1 1 983 . 15 2 2 B 15 15 THR CB C 113 70.341 66.475 3.866 1 1 985 . 15 2 2 B 15 15 THR N N 113 116.126 114.504 1.622 1 1 986 . 15 2 2 B 16 16 GLU H H 114 8.253 8.075 0.178 1 1 987 . 15 2 2 B 16 16 GLU HA H 114 4.256 4.443 -0.187 1 1 992 . 15 2 2 B 16 16 GLU C C 114 176.766 175.416 1.350 1 1 993 . 15 2 2 B 16 16 GLU CA C 114 57.410 56.568 0.842 1 1 994 . 15 2 2 B 16 16 GLU CB C 114 30.620 28.947 1.673 1 1 996 . 15 2 2 B 16 16 GLU N N 114 123.052 122.054 0.998 1 1 997 . 15 2 2 B 17 17 GLU H H 115 8.331 8.871 -0.540 1 1 998 . 15 2 2 B 17 17 GLU HA H 115 4.292 4.481 -0.189 1 1 1003 . 15 2 2 B 17 17 GLU C C 115 176.880 175.088 1.792 1 1 1004 . 15 2 2 B 17 17 GLU CA C 115 57.410 56.194 1.216 1 1 1005 . 15 2 2 B 17 17 GLU CB C 115 30.525 32.672 -2.147 1 1 1007 . 15 2 2 B 17 17 GLU N N 115 121.688 122.946 -1.258 1 1 1008 . 15 2 2 B 18 18 MET H H 116 8.317 9.195 -0.878 1 1 1009 . 15 2 2 B 18 18 MET HA H 116 4.490 4.078 0.412 1 1 1014 . 15 2 2 B 18 18 MET C C 116 177.086 174.794 2.292 1 1 1015 . 15 2 2 B 18 18 MET CA C 116 56.279 56.187 0.092 1 1 1016 . 15 2 2 B 18 18 MET CB C 116 33.026 31.399 1.627 1 1 1017 . 15 2 2 B 18 18 MET N N 116 121.270 124.565 -3.295 1 1 1018 . 15 2 2 B 19 19 GLY H H 117 8.320 8.421 -0.101 1 1 1019 . 15 2 2 B 19 19 GLY HA2 H 117 4.054 4.119 -0.065 1 1 1020 . 15 2 2 B 19 19 GLY HA3 H 117 4.054 4.126 -0.072 1 1 1021 . 15 2 2 B 19 19 GLY C C 117 174.481 172.642 1.839 1 1 1022 . 15 2 2 B 19 19 GLY CA C 117 45.847 45.872 -0.025 1 1 1023 . 15 2 2 B 19 19 GLY N N 117 110.055 112.267 -2.212 1 1 1024 . 15 2 2 B 20 20 SER H H 118 8.230 8.923 -0.693 1 1 1025 . 15 2 2 B 20 20 SER HA H 118 4.476 4.828 -0.352 1 1 1028 . 15 2 2 B 20 20 SER C C 118 175.327 174.147 1.180 1 1 1029 . 15 2 2 B 20 20 SER CA C 118 58.919 57.903 1.016 1 1 1030 . 15 2 2 B 20 20 SER CB C 118 64.575 65.283 -0.708 1 1 1031 . 15 2 2 B 20 20 SER N N 118 115.664 118.058 -2.394 1 1 1032 . 15 2 2 B 21 21 GLY H H 119 8.371 8.440 -0.069 1 1 1033 . 15 2 2 B 21 21 GLY HA2 H 119 3.951 4.319 -0.368 1 1 1034 . 15 2 2 B 21 21 GLY HA3 H 119 3.951 4.320 -0.369 1 1 1035 . 15 2 2 B 21 21 GLY C C 119 174.002 172.231 1.771 1 1 1036 . 15 2 2 B 21 21 GLY CA C 119 45.721 43.929 1.792 1 1 1037 . 15 2 2 B 21 21 GLY N N 119 110.872 107.200 3.672 1 1 1068 . 15 2 2 B 25 25 SER H H 123 8.155 8.499 -0.344 1 1 1069 . 15 2 2 B 25 25 SER HA H 123 4.404 4.404 0.000 1 1 1072 . 15 2 2 B 25 25 SER C C 123 175.075 174.957 0.118 1 1 1073 . 15 2 2 B 25 25 SER CA C 123 59.347 58.800 0.547 1 1 1074 . 15 2 2 B 25 25 SER CB C 123 63.879 63.397 0.482 1 1 1075 . 15 2 2 B 25 25 SER N N 123 116.126 119.387 -3.261 1 1 1076 . 15 2 2 B 26 26 MET H H 124 8.221 8.846 -0.625 1 1 1077 . 15 2 2 B 26 26 MET HA H 124 4.482 4.153 0.329 1 1 1082 . 15 2 2 B 26 26 MET C C 124 176.355 174.638 1.717 1 1 1083 . 15 2 2 B 26 26 MET CA C 124 56.279 56.159 0.120 1 1 1084 . 15 2 2 B 26 26 MET CB C 124 32.900 31.228 1.672 1 1 1086 . 15 2 2 B 26 26 MET N N 124 121.210 126.401 -5.191 1 1 1087 . 15 2 2 B 27 27 LYS H H 125 8.036 8.193 -0.157 1 1 1088 . 15 2 2 B 27 27 LYS HA H 125 4.333 4.729 -0.396 1 1 1097 . 15 2 2 B 27 27 LYS C C 125 176.355 174.581 1.774 1 1 1098 . 15 2 2 B 27 27 LYS CA C 125 56.656 54.130 2.526 1 1 1099 . 15 2 2 B 27 27 LYS CB C 125 33.529 34.944 -1.415 1 1 1103 . 15 2 2 B 27 27 LYS N N 125 121.457 126.892 -5.435 1 1 1104 . 15 2 2 B 28 28 GLU H H 126 8.205 8.900 -0.695 1 1 1105 . 15 2 2 B 28 28 GLU N N 126 122.740 118.972 3.768 1 1 1106 . 15 2 2 B 29 29 PRO HA H 127 4.377 4.679 -0.302 1 1 1113 . 15 2 2 B 29 29 PRO C C 127 176.812 177.436 -0.624 1 1 1114 . 15 2 2 B 29 29 PRO CA C 127 63.821 62.818 1.003 1 1 1115 . 15 2 2 B 29 29 PRO CB C 127 32.272 31.733 0.539 1 1 1118 . 15 2 2 B 30 30 ALA H H 128 8.273 8.638 -0.365 1 1 1119 . 15 2 2 B 30 30 ALA HA H 128 4.287 4.142 0.145 1 1 1123 . 15 2 2 B 30 30 ALA C C 128 177.589 178.357 -0.768 1 1 1124 . 15 2 2 B 30 30 ALA CA C 128 52.873 55.152 -2.279 1 1 1125 . 15 2 2 B 30 30 ALA CB C 128 19.703 19.664 0.039 1 1 1126 . 15 2 2 B 30 30 ALA N N 128 123.577 127.755 -4.178 1 1 1127 . 15 2 2 B 31 31 PHE H H 129 8.019 8.164 -0.145 1 1 1128 . 15 2 2 B 31 31 PHE HA H 129 4.621 4.428 0.193 1 1 1135 . 15 2 2 B 31 31 PHE C C 129 175.624 174.934 0.690 1 1 1136 . 15 2 2 B 31 31 PHE CA C 129 58.039 59.550 -1.511 1 1 1137 . 15 2 2 B 31 31 PHE CB C 129 40.055 38.689 1.366 1 1 1140 . 15 2 2 B 31 31 PHE N N 129 118.994 117.343 1.651 1 1 1141 . 15 2 2 B 32 32 ARG H H 130 8.042 8.476 -0.434 1 1 1142 . 15 2 2 B 32 32 ARG HA H 130 4.332 4.184 0.148 1 1 1149 . 15 2 2 B 32 32 ARG C C 130 175.875 175.365 0.510 1 1 1150 . 15 2 2 B 32 32 ARG CA C 130 56.154 55.795 0.359 1 1 1151 . 15 2 2 B 32 32 ARG CB C 130 31.643 31.355 0.288 1 1 1154 . 15 2 2 B 32 32 ARG N N 130 122.929 122.906 0.023 1 1 1155 . 15 2 2 B 33 33 GLU H H 131 8.389 8.741 -0.352 1 1 1156 . 15 2 2 B 33 33 GLU HA H 131 4.276 4.600 -0.324 1 1 1161 . 15 2 2 B 33 33 GLU C C 131 176.766 175.028 1.738 1 1 1162 . 15 2 2 B 33 33 GLU CA C 131 57.285 56.297 0.988 1 1 1163 . 15 2 2 B 33 33 GLU CB C 131 30.512 30.565 -0.053 1 1 1165 . 15 2 2 B 33 33 GLU N N 131 122.719 126.541 -3.822 1 1 1166 . 15 2 2 B 34 34 GLU H H 132 8.502 8.520 -0.018 1 1 1167 . 15 2 2 B 34 34 GLU HA H 132 4.275 4.927 -0.652 1 1 1172 . 15 2 2 B 34 34 GLU C C 132 176.560 176.388 0.172 1 1 1173 . 15 2 2 B 34 34 GLU CA C 132 57.400 54.667 2.733 1 1 1174 . 15 2 2 B 34 34 GLU CB C 132 30.526 32.108 -1.582 1 1 1176 . 15 2 2 B 34 34 GLU N N 132 122.122 126.090 -3.968 1 1 1177 . 15 2 2 B 35 35 ASN H H 133 8.362 8.895 -0.533 1 1 1178 . 15 2 2 B 35 35 ASN HA H 133 4.693 4.547 0.146 1 1 1181 . 15 2 2 B 35 35 ASN C C 133 175.258 175.390 -0.132 1 1 1182 . 15 2 2 B 35 35 ASN CA C 133 53.765 54.917 -1.152 1 1 1183 . 15 2 2 B 35 35 ASN CB C 133 39.562 38.494 1.068 1 1 1184 . 15 2 2 B 35 35 ASN N N 133 119.552 124.633 -5.081 1 1 1185 . 15 2 2 B 36 36 ALA H H 134 8.155 7.402 0.753 1 1 1186 . 15 2 2 B 36 36 ALA HA H 134 4.289 4.279 0.010 1 1 1190 . 15 2 2 B 36 36 ALA C C 134 177.520 176.298 1.222 1 1 1191 . 15 2 2 B 36 36 ALA CA C 134 52.873 52.026 0.847 1 1 1192 . 15 2 2 B 36 36 ALA CB C 134 19.703 18.228 1.475 1 1 1193 . 15 2 2 B 36 36 ALA N N 134 124.376 121.671 2.705 1 1 1194 . 15 2 2 B 37 37 ASN H H 135 8.210 8.451 -0.241 1 1 1195 . 15 2 2 B 37 37 ASN HA H 135 4.694 5.076 -0.382 1 1 1198 . 15 2 2 B 37 37 ASN C C 135 175.144 174.342 0.802 1 1 1199 . 15 2 2 B 37 37 ASN CA C 135 53.640 51.691 1.949 1 1 1200 . 15 2 2 B 37 37 ASN CB C 135 39.311 40.998 -1.687 1 1 1201 . 15 2 2 B 37 37 ASN N N 135 117.103 121.041 -3.938 1 1 1202 . 15 2 2 B 38 38 PHE H H 136 7.997 8.315 -0.318 1 1 1203 . 15 2 2 B 38 38 PHE HA H 136 4.659 3.982 0.677 1 1 1210 . 15 2 2 B 38 38 PHE C C 136 175.601 174.248 1.353 1 1 1211 . 15 2 2 B 38 38 PHE CA C 136 58.165 58.510 -0.345 1 1 1212 . 15 2 2 B 38 38 PHE CB C 136 39.939 36.238 3.701 1 1 1215 . 15 2 2 B 38 38 PHE N N 136 120.229 115.353 4.876 1 1 1216 . 15 2 2 B 39 39 ASN H H 137 8.272 8.067 0.205 1 1 1217 . 15 2 2 B 39 39 ASN HA H 137 4.733 5.014 -0.281 1 1 1220 . 15 2 2 B 39 39 ASN C C 137 174.047 174.168 -0.121 1 1 1221 . 15 2 2 B 39 39 ASN CA C 137 53.891 52.500 1.391 1 1 1222 . 15 2 2 B 39 39 ASN CB C 137 39.688 38.653 1.035 1 1 1223 . 15 2 2 B 39 39 ASN N N 137 120.594 117.541 3.053 1 1 3 . 16 1 1 A 4 4 PRO HA H 2 4.509 4.604 -0.095 1 1 10 . 16 1 1 A 4 4 PRO C C 2 177.132 175.391 1.741 1 1 11 . 16 1 1 A 4 4 PRO CA C 2 63.529 62.549 0.980 1 1 12 . 16 1 1 A 4 4 PRO CB C 2 32.476 33.283 -0.807 1 1 15 . 16 1 1 A 5 5 VAL H H 3 8.201 8.563 -0.362 1 1 16 . 16 1 1 A 5 5 VAL HA H 3 4.152 4.480 -0.328 1 1 24 . 16 1 1 A 5 5 VAL C C 3 176.423 173.946 2.477 1 1 25 . 16 1 1 A 5 5 VAL CA C 3 62.873 60.469 2.404 1 1 26 . 16 1 1 A 5 5 VAL CB C 3 33.455 34.846 -1.391 1 1 28 . 16 1 1 A 5 5 VAL N N 3 120.488 121.494 -1.006 1 1 29 . 16 1 1 A 6 6 SER H H 4 8.276 8.883 -0.607 1 1 30 . 16 1 1 A 6 6 SER HA H 4 4.494 4.704 -0.210 1 1 33 . 16 1 1 A 6 6 SER C C 4 174.687 172.801 1.886 1 1 34 . 16 1 1 A 6 6 SER CA C 4 58.375 58.001 0.374 1 1 35 . 16 1 1 A 6 6 SER CB C 4 64.295 62.004 2.291 1 1 36 . 16 1 1 A 6 6 SER N N 4 119.000 125.286 -6.286 1 1 37 . 16 1 1 A 7 7 LEU H H 5 8.238 8.624 -0.386 1 1 38 . 16 1 1 A 7 7 LEU HA H 5 4.406 4.863 -0.457 1 1 44 . 16 1 1 A 7 7 LEU C C 5 177.406 175.084 2.322 1 1 45 . 16 1 1 A 7 7 LEU CA C 5 55.766 53.705 2.061 1 1 46 . 16 1 1 A 7 7 LEU CB C 5 43.132 43.068 0.064 1 1 48 . 16 1 1 A 7 7 LEU N N 5 124.704 128.850 -4.146 1 1 49 . 16 1 1 A 8 8 SER H H 6 8.148 8.428 -0.280 1 1 50 . 16 1 1 A 8 8 SER HA H 6 4.438 4.799 -0.361 1 1 53 . 16 1 1 A 8 8 SER C C 6 174.321 171.618 2.703 1 1 54 . 16 1 1 A 8 8 SER CA C 6 58.718 57.300 1.418 1 1 55 . 16 1 1 A 8 8 SER CB C 6 64.295 65.678 -1.383 1 1 56 . 16 1 1 A 8 8 SER N N 6 115.960 117.948 -1.988 1 1 57 . 16 1 1 A 9 9 TYR H H 7 7.954 8.659 -0.705 1 1 58 . 16 1 1 A 9 9 TYR HA H 7 4.585 5.051 -0.466 1 1 65 . 16 1 1 A 9 9 TYR C C 7 175.532 175.146 0.386 1 1 66 . 16 1 1 A 9 9 TYR CA C 7 58.335 56.474 1.861 1 1 67 . 16 1 1 A 9 9 TYR CB C 7 39.474 37.924 1.550 1 1 70 . 16 1 1 A 9 9 TYR N N 7 121.884 118.559 3.325 1 1 71 . 16 1 1 A 10 10 ARG H H 8 8.117 8.333 -0.216 1 1 72 . 16 1 1 A 10 10 ARG HA H 8 4.349 4.924 -0.575 1 1 79 . 16 1 1 A 10 10 ARG C C 8 175.898 174.549 1.349 1 1 80 . 16 1 1 A 10 10 ARG CA C 8 56.048 54.212 1.836 1 1 81 . 16 1 1 A 10 10 ARG CB C 8 31.492 33.833 -2.341 1 1 84 . 16 1 1 A 10 10 ARG N N 8 121.977 121.540 0.437 1 1 85 . 16 1 1 A 11 11 CYS H H 9 8.127 8.667 -0.540 1 1 86 . 16 1 1 A 11 11 CYS HA H 9 4.984 5.543 -0.559 1 1 89 . 16 1 1 A 11 11 CYS C C 9 177.771 173.811 3.960 1 1 90 . 16 1 1 A 11 11 CYS CA C 9 53.192 54.067 -0.875 1 1 91 . 16 1 1 A 11 11 CYS CB C 9 40.897 44.304 -3.407 1 1 92 . 16 1 1 A 11 11 CYS N N 9 121.209 119.504 1.705 1 1 93 . 16 1 1 A 12 12 PRO HA H 10 4.321 4.295 0.026 1 1 100 . 16 1 1 A 12 12 PRO CA C 10 65.478 64.943 0.535 1 1 101 . 16 1 1 A 12 12 PRO CB C 10 32.904 31.687 1.217 1 1 104 . 16 1 1 A 13 13 CYS H H 11 8.633 7.591 1.042 1 1 105 . 16 1 1 A 13 13 CYS C C 11 174.618 173.686 0.932 1 1 106 . 16 1 1 A 13 13 CYS N N 11 114.595 115.648 -1.053 1 1 107 . 16 1 1 A 14 14 ARG H H 12 8.236 8.935 -0.699 1 1 108 . 16 1 1 A 14 14 ARG HA H 12 4.067 4.206 -0.139 1 1 115 . 16 1 1 A 14 14 ARG C C 12 175.098 174.885 0.213 1 1 116 . 16 1 1 A 14 14 ARG CA C 12 57.370 57.176 0.194 1 1 117 . 16 1 1 A 14 14 ARG CB C 12 31.631 31.406 0.225 1 1 120 . 16 1 1 A 14 14 ARG N N 12 122.779 124.001 -1.222 1 1 121 . 16 1 1 A 15 15 PHE H H 13 7.615 7.760 -0.145 1 1 122 . 16 1 1 A 15 15 PHE HA H 13 4.510 5.003 -0.493 1 1 129 . 16 1 1 A 15 15 PHE C C 13 174.162 174.668 -0.506 1 1 130 . 16 1 1 A 15 15 PHE CA C 13 56.289 56.323 -0.034 1 1 131 . 16 1 1 A 15 15 PHE CB C 13 41.320 42.536 -1.216 1 1 134 . 16 1 1 A 15 15 PHE N N 13 116.797 114.526 2.271 1 1 135 . 16 1 1 A 16 16 PHE H H 14 8.125 8.286 -0.161 1 1 136 . 16 1 1 A 16 16 PHE HA H 14 4.767 5.600 -0.833 1 1 143 . 16 1 1 A 16 16 PHE C C 14 175.441 175.466 -0.025 1 1 144 . 16 1 1 A 16 16 PHE CA C 14 55.767 55.547 0.220 1 1 145 . 16 1 1 A 16 16 PHE CB C 14 41.320 41.831 -0.511 1 1 148 . 16 1 1 A 16 16 PHE N N 14 118.930 118.633 0.297 1 1 149 . 16 1 1 A 17 17 GLU H H 15 8.836 9.514 -0.678 1 1 150 . 16 1 1 A 17 17 GLU HA H 15 4.579 4.382 0.197 1 1 155 . 16 1 1 A 17 17 GLU C C 15 176.857 176.418 0.439 1 1 156 . 16 1 1 A 17 17 GLU CA C 15 56.289 57.350 -1.061 1 1 157 . 16 1 1 A 17 17 GLU CB C 15 31.173 30.558 0.615 1 1 159 . 16 1 1 A 17 17 GLU N N 15 122.929 122.755 0.174 1 1 160 . 16 1 1 A 18 18 SER H H 16 8.751 9.076 -0.325 1 1 161 . 16 1 1 A 18 18 SER HA H 16 4.762 4.696 0.066 1 1 164 . 16 1 1 A 18 18 SER C C 16 177.497 174.117 3.380 1 1 165 . 16 1 1 A 18 18 SER CA C 16 59.328 59.702 -0.374 1 1 166 . 16 1 1 A 18 18 SER CB C 16 64.515 65.863 -1.348 1 1 167 . 16 1 1 A 18 18 SER N N 16 118.860 118.839 0.021 1 1 168 . 16 1 1 A 19 19 HIS H H 17 8.761 8.153 0.608 1 1 169 . 16 1 1 A 19 19 HIS HA H 17 4.859 4.772 0.087 1 1 174 . 16 1 1 A 19 19 HIS C C 17 174.618 173.917 0.701 1 1 175 . 16 1 1 A 19 19 HIS CA C 17 56.449 54.922 1.527 1 1 176 . 16 1 1 A 19 19 HIS CB C 17 29.870 27.933 1.937 1 1 179 . 16 1 1 A 19 19 HIS N N 17 120.535 118.952 1.583 1 1 180 . 16 1 1 A 20 20 VAL H H 18 7.157 8.339 -1.182 1 1 181 . 16 1 1 A 20 20 VAL HA H 18 4.181 4.752 -0.571 1 1 189 . 16 1 1 A 20 20 VAL C C 18 174.436 173.784 0.652 1 1 190 . 16 1 1 A 20 20 VAL CA C 18 62.167 60.497 1.670 1 1 191 . 16 1 1 A 20 20 VAL CB C 18 34.426 35.860 -1.434 1 1 193 . 16 1 1 A 20 20 VAL N N 18 120.872 123.124 -2.252 1 1 194 . 16 1 1 A 21 21 ALA H H 19 8.521 8.493 0.028 1 1 195 . 16 1 1 A 21 21 ALA HA H 19 4.372 4.433 -0.061 1 1 199 . 16 1 1 A 21 21 ALA C C 19 177.657 177.674 -0.017 1 1 200 . 16 1 1 A 21 21 ALA CA C 19 51.193 50.707 0.486 1 1 201 . 16 1 1 A 21 21 ALA CB C 19 19.790 20.074 -0.284 1 1 202 . 16 1 1 A 21 21 ALA N N 19 131.339 129.324 2.015 1 1 203 . 16 1 1 A 22 22 ARG H H 20 7.790 8.043 -0.253 1 1 204 . 16 1 1 A 22 22 ARG HA H 20 2.445 2.731 -0.286 1 1 211 . 16 1 1 A 22 22 ARG C C 20 178.365 177.232 1.133 1 1 212 . 16 1 1 A 22 22 ARG CA C 20 59.379 58.140 1.239 1 1 213 . 16 1 1 A 22 22 ARG CB C 20 29.572 29.197 0.375 1 1 216 . 16 1 1 A 22 22 ARG N N 20 124.365 122.843 1.522 1 1 217 . 16 1 1 A 23 23 ALA H H 21 8.120 7.431 0.689 1 1 218 . 16 1 1 A 23 23 ALA HA H 21 4.060 4.122 -0.062 1 1 222 . 16 1 1 A 23 23 ALA C C 21 178.000 177.765 0.235 1 1 223 . 16 1 1 A 23 23 ALA CA C 21 54.100 53.506 0.594 1 1 224 . 16 1 1 A 23 23 ALA CB C 21 18.713 18.288 0.425 1 1 225 . 16 1 1 A 23 23 ALA N N 21 117.156 120.805 -3.649 1 1 226 . 16 1 1 A 24 24 ASN H H 22 7.717 7.746 -0.029 1 1 227 . 16 1 1 A 24 24 ASN HA H 22 5.010 4.744 0.266 1 1 232 . 16 1 1 A 24 24 ASN C C 22 174.938 174.711 0.227 1 1 233 . 16 1 1 A 24 24 ASN CA C 22 52.869 52.656 0.213 1 1 234 . 16 1 1 A 24 24 ASN CB C 22 40.573 38.989 1.584 1 1 235 . 16 1 1 A 24 24 ASN N N 22 112.819 115.182 -2.363 1 1 237 . 16 1 1 A 25 25 VAL H H 23 7.489 6.767 0.722 1 1 238 . 16 1 1 A 25 25 VAL HA H 23 4.888 4.537 0.351 1 1 246 . 16 1 1 A 25 25 VAL C C 23 175.829 175.792 0.037 1 1 247 . 16 1 1 A 25 25 VAL CA C 23 59.870 59.133 0.737 1 1 248 . 16 1 1 A 25 25 VAL CB C 23 35.396 34.664 0.732 1 1 251 . 16 1 1 A 25 25 VAL N N 23 119.721 116.274 3.447 1 1 252 . 16 1 1 A 26 26 LYS H H 24 9.479 9.227 0.252 1 1 253 . 16 1 1 A 26 26 LYS HA H 24 4.353 4.263 0.090 1 1 262 . 16 1 1 A 26 26 LYS C C 24 176.606 176.970 -0.364 1 1 263 . 16 1 1 A 26 26 LYS CA C 24 58.977 57.945 1.032 1 1 264 . 16 1 1 A 26 26 LYS CB C 24 34.567 32.902 1.665 1 1 268 . 16 1 1 A 26 26 LYS N N 24 127.843 122.096 5.747 1 1 269 . 16 1 1 A 27 27 HIS H H 25 7.237 7.476 -0.239 1 1 270 . 16 1 1 A 27 27 HIS HA H 25 4.979 4.936 0.043 1 1 275 . 16 1 1 A 27 27 HIS C C 25 178.434 172.528 5.906 1 1 276 . 16 1 1 A 27 27 HIS CA C 25 55.406 54.811 0.595 1 1 277 . 16 1 1 A 27 27 HIS CB C 25 32.480 31.599 0.881 1 1 280 . 16 1 1 A 27 27 HIS N N 25 109.556 112.649 -3.093 1 1 281 . 16 1 1 A 28 28 LEU H H 26 8.189 8.796 -0.607 1 1 282 . 16 1 1 A 28 28 LEU HA H 26 5.190 5.304 -0.114 1 1 292 . 16 1 1 A 28 28 LEU C C 26 175.510 175.701 -0.191 1 1 293 . 16 1 1 A 28 28 LEU CA C 26 53.480 53.492 -0.012 1 1 294 . 16 1 1 A 28 28 LEU CB C 26 45.235 45.462 -0.227 1 1 298 . 16 1 1 A 28 28 LEU N N 26 117.260 119.603 -2.343 1 1 299 . 16 1 1 A 29 29 LYS H H 27 9.572 8.762 0.810 1 1 300 . 16 1 1 A 29 29 LYS HA H 27 5.372 5.146 0.226 1 1 309 . 16 1 1 A 29 29 LYS C C 27 174.801 174.383 0.418 1 1 310 . 16 1 1 A 29 29 LYS CA C 27 55.165 54.988 0.177 1 1 311 . 16 1 1 A 29 29 LYS CB C 27 35.253 35.731 -0.478 1 1 315 . 16 1 1 A 29 29 LYS N N 27 123.488 122.346 1.142 1 1 316 . 16 1 1 A 30 30 ILE H H 28 9.136 8.973 0.163 1 1 317 . 16 1 1 A 30 30 ILE HA H 28 4.926 5.103 -0.177 1 1 327 . 16 1 1 A 30 30 ILE C C 28 176.949 174.940 2.009 1 1 328 . 16 1 1 A 30 30 ILE CA C 28 60.542 59.576 0.966 1 1 329 . 16 1 1 A 30 30 ILE CB C 28 39.600 40.579 -0.979 1 1 333 . 16 1 1 A 30 30 ILE N N 28 123.846 127.593 -3.747 1 1 334 . 16 1 1 A 31 31 LEU H H 29 8.830 8.875 -0.045 1 1 335 . 16 1 1 A 31 31 LEU HA H 29 4.535 5.078 -0.543 1 1 344 . 16 1 1 A 31 31 LEU C C 29 176.012 175.877 0.135 1 1 345 . 16 1 1 A 31 31 LEU CA C 29 55.366 53.599 1.767 1 1 346 . 16 1 1 A 31 31 LEU CB C 29 43.180 46.274 -3.094 1 1 349 . 16 1 1 A 31 31 LEU N N 29 128.649 126.768 1.881 1 1 350 . 16 1 1 A 32 32 ASN H H 30 8.216 9.155 -0.939 1 1 351 . 16 1 1 A 32 32 ASN HA H 30 5.013 5.493 -0.480 1 1 356 . 16 1 1 A 32 32 ASN C C 30 174.664 175.593 -0.929 1 1 357 . 16 1 1 A 32 32 ASN CA C 30 52.517 51.945 0.572 1 1 358 . 16 1 1 A 32 32 ASN CB C 30 38.776 40.483 -1.707 1 1 359 . 16 1 1 A 32 32 ASN N N 30 120.791 120.453 0.338 1 1 361 . 16 1 1 A 33 33 THR H H 31 7.883 8.984 -1.101 1 1 362 . 16 1 1 A 33 33 THR HA H 31 4.842 4.949 -0.107 1 1 367 . 16 1 1 A 33 33 THR CA C 31 58.369 59.728 -1.359 1 1 368 . 16 1 1 A 33 33 THR CB C 31 70.018 69.055 0.963 1 1 370 . 16 1 1 A 33 33 THR N N 31 115.811 118.273 -2.462 1 1 371 . 16 1 1 A 34 34 PRO HA H 32 4.317 4.454 -0.137 1 1 378 . 16 1 1 A 34 34 PRO CA C 32 65.164 64.005 1.159 1 1 379 . 16 1 1 A 34 34 PRO CB C 32 32.484 31.204 1.280 1 1 382 . 16 1 1 A 35 35 ASN H H 33 8.254 8.519 -0.265 1 1 383 . 16 1 1 A 35 35 ASN HA H 33 4.651 5.098 -0.447 1 1 388 . 16 1 1 A 35 35 ASN C C 33 174.710 173.910 0.800 1 1 389 . 16 1 1 A 35 35 ASN CA C 33 54.532 52.362 2.170 1 1 390 . 16 1 1 A 35 35 ASN CB C 33 39.167 40.602 -1.435 1 1 391 . 16 1 1 A 35 35 ASN N N 33 120.081 115.774 4.307 1 1 393 . 16 1 1 A 36 36 CYS H H 34 7.548 7.660 -0.112 1 1 394 . 16 1 1 A 36 36 CYS HA H 34 4.694 5.061 -0.367 1 1 397 . 16 1 1 A 36 36 CYS C C 34 173.865 173.109 0.756 1 1 398 . 16 1 1 A 36 36 CYS CA C 34 55.447 54.958 0.489 1 1 399 . 16 1 1 A 36 36 CYS CB C 34 45.228 47.697 -2.469 1 1 400 . 16 1 1 A 36 36 CYS N N 34 117.076 116.265 0.811 1 1 401 . 16 1 1 A 37 37 ALA H H 35 8.472 8.584 -0.112 1 1 402 . 16 1 1 A 37 37 ALA HA H 35 4.236 4.372 -0.136 1 1 406 . 16 1 1 A 37 37 ALA C C 35 176.423 177.048 -0.625 1 1 407 . 16 1 1 A 37 37 ALA CA C 35 53.537 51.775 1.762 1 1 408 . 16 1 1 A 37 37 ALA CB C 35 19.202 20.282 -1.080 1 1 409 . 16 1 1 A 37 37 ALA N N 35 125.153 125.261 -0.108 1 1 410 . 16 1 1 A 38 38 CYS H H 36 8.316 8.398 -0.082 1 1 411 . 16 1 1 A 38 38 CYS HA H 36 4.196 4.235 -0.039 1 1 414 . 16 1 1 A 38 38 CYS C C 36 173.705 173.967 -0.262 1 1 415 . 16 1 1 A 38 38 CYS CA C 36 58.616 60.029 -1.413 1 1 416 . 16 1 1 A 38 38 CYS CB C 36 45.705 27.699 18.006 1 1 417 . 16 1 1 A 38 38 CYS N N 36 118.837 118.319 0.518 1 1 418 . 16 1 1 A 39 39 GLN H H 37 8.921 8.357 0.564 1 1 419 . 16 1 1 A 39 39 GLN HA H 37 4.609 4.484 0.125 1 1 426 . 16 1 1 A 39 39 GLN C C 37 173.636 173.550 0.086 1 1 427 . 16 1 1 A 39 39 GLN CA C 37 54.603 54.962 -0.359 1 1 428 . 16 1 1 A 39 39 GLN CB C 37 31.761 31.648 0.113 1 1 430 . 16 1 1 A 39 39 GLN N N 37 128.567 125.492 3.075 1 1 432 . 16 1 1 A 40 40 ILE H H 38 8.893 8.759 0.134 1 1 433 . 16 1 1 A 40 40 ILE HA H 38 5.068 4.923 0.145 1 1 443 . 16 1 1 A 40 40 ILE C C 38 174.390 175.530 -1.140 1 1 444 . 16 1 1 A 40 40 ILE CA C 38 60.582 59.924 0.658 1 1 445 . 16 1 1 A 40 40 ILE CB C 38 40.048 39.488 0.560 1 1 449 . 16 1 1 A 40 40 ILE N N 38 123.962 127.465 -3.503 1 1 450 . 16 1 1 A 41 41 VAL H H 39 9.120 9.721 -0.601 1 1 451 . 16 1 1 A 41 41 VAL HA H 39 4.845 4.962 -0.117 1 1 459 . 16 1 1 A 41 41 VAL C C 39 175.487 174.187 1.300 1 1 460 . 16 1 1 A 41 41 VAL CA C 39 59.980 59.343 0.637 1 1 461 . 16 1 1 A 41 41 VAL CB C 39 35.868 35.136 0.732 1 1 464 . 16 1 1 A 41 41 VAL N N 39 126.354 121.965 4.389 1 1 465 . 16 1 1 A 42 42 ALA H H 40 9.513 9.498 0.015 1 1 466 . 16 1 1 A 42 42 ALA HA H 40 5.154 5.398 -0.244 1 1 470 . 16 1 1 A 42 42 ALA C C 40 175.944 174.639 1.305 1 1 471 . 16 1 1 A 42 42 ALA CA C 40 50.591 50.245 0.346 1 1 472 . 16 1 1 A 42 42 ALA CB C 40 22.432 23.392 -0.960 1 1 473 . 16 1 1 A 42 42 ALA N N 40 128.406 125.613 2.793 1 1 474 . 16 1 1 A 43 43 ARG H H 41 7.717 8.355 -0.638 1 1 475 . 16 1 1 A 43 43 ARG HA H 41 4.979 4.715 0.264 1 1 482 . 16 1 1 A 43 43 ARG C C 41 175.510 176.240 -0.730 1 1 483 . 16 1 1 A 43 43 ARG CA C 41 54.162 55.031 -0.869 1 1 484 . 16 1 1 A 43 43 ARG CB C 41 31.200 31.744 -0.544 1 1 487 . 16 1 1 A 43 43 ARG N N 41 121.663 121.899 -0.236 1 1 488 . 16 1 1 A 44 44 LEU H H 42 9.163 8.188 0.975 1 1 489 . 16 1 1 A 44 44 LEU HA H 42 5.033 4.265 0.768 1 1 499 . 16 1 1 A 44 44 LEU C C 42 177.840 177.232 0.608 1 1 500 . 16 1 1 A 44 44 LEU CA C 42 54.724 55.661 -0.937 1 1 501 . 16 1 1 A 44 44 LEU CB C 42 41.712 43.352 -1.640 1 1 505 . 16 1 1 A 44 44 LEU N N 42 129.087 127.418 1.669 1 1 506 . 16 1 1 A 45 45 LYS H H 43 8.417 8.425 -0.008 1 1 507 . 16 1 1 A 45 45 LYS HA H 43 3.950 3.960 -0.010 1 1 516 . 16 1 1 A 45 45 LYS CA C 43 59.016 59.758 -0.742 1 1 517 . 16 1 1 A 45 45 LYS CB C 43 34.102 32.473 1.629 1 1 520 . 16 1 1 A 45 45 LYS N N 43 119.674 125.419 -5.745 1 1 521 . 16 1 1 A 48 48 ASN HA H 46 4.723 5.048 -0.325 1 1 526 . 16 1 1 A 48 48 ASN C C 46 175.098 175.420 -0.322 1 1 527 . 16 1 1 A 48 48 ASN CA C 46 54.764 53.811 0.953 1 1 528 . 16 1 1 A 48 48 ASN CB C 46 39.265 40.340 -1.075 1 1 530 . 16 1 1 A 49 49 ARG H H 47 7.919 7.914 0.005 1 1 531 . 16 1 1 A 49 49 ARG HA H 47 4.353 4.543 -0.190 1 1 538 . 16 1 1 A 49 49 ARG C C 47 175.601 174.241 1.360 1 1 539 . 16 1 1 A 49 49 ARG CA C 47 57.051 55.089 1.962 1 1 540 . 16 1 1 A 49 49 ARG CB C 47 32.121 30.370 1.751 1 1 543 . 16 1 1 A 49 49 ARG N N 47 119.826 113.380 6.446 1 1 544 . 16 1 1 A 50 50 GLN H H 48 8.547 8.444 0.103 1 1 545 . 16 1 1 A 50 50 GLN HA H 48 5.456 4.867 0.589 1 1 552 . 16 1 1 A 50 50 GLN C C 48 175.578 175.500 0.078 1 1 553 . 16 1 1 A 50 50 GLN CA C 48 55.125 55.187 -0.062 1 1 554 . 16 1 1 A 50 50 GLN CB C 48 32.121 30.226 1.895 1 1 556 . 16 1 1 A 50 50 GLN N N 48 120.767 116.982 3.785 1 1 558 . 16 1 1 A 51 51 VAL H H 49 8.630 9.179 -0.549 1 1 559 . 16 1 1 A 51 51 VAL HA H 49 4.826 4.791 0.035 1 1 567 . 16 1 1 A 51 51 VAL C C 49 175.258 174.731 0.527 1 1 568 . 16 1 1 A 51 51 VAL CA C 49 59.338 60.346 -1.008 1 1 569 . 16 1 1 A 51 51 VAL CB C 49 36.155 34.004 2.151 1 1 572 . 16 1 1 A 51 51 VAL N N 49 116.678 116.058 0.620 1 1 573 . 16 1 1 A 52 52 CYS H H 50 9.100 8.740 0.360 1 1 574 . 16 1 1 A 52 52 CYS HA H 50 5.301 5.184 0.117 1 1 577 . 16 1 1 A 52 52 CYS C C 50 174.527 173.354 1.173 1 1 578 . 16 1 1 A 52 52 CYS CA C 50 58.054 55.224 2.830 1 1 579 . 16 1 1 A 52 52 CYS CB C 50 43.375 43.093 0.282 1 1 580 . 16 1 1 A 52 52 CYS N N 50 124.549 122.591 1.958 1 1 581 . 16 1 1 A 53 53 ILE H H 51 8.485 9.427 -0.942 1 1 582 . 16 1 1 A 53 53 ILE HA H 51 4.964 4.593 0.371 1 1 592 . 16 1 1 A 53 53 ILE C C 51 173.019 175.198 -2.179 1 1 593 . 16 1 1 A 53 53 ILE CA C 51 58.897 60.098 -1.201 1 1 594 . 16 1 1 A 53 53 ILE CB C 51 42.201 40.343 1.858 1 1 598 . 16 1 1 A 53 53 ILE N N 51 122.581 126.287 -3.706 1 1 599 . 16 1 1 A 54 54 ASP H H 52 7.661 8.390 -0.729 1 1 600 . 16 1 1 A 54 54 ASP HA H 52 3.642 4.575 -0.933 1 1 603 . 16 1 1 A 54 54 ASP CA C 52 51.574 52.067 -0.493 1 1 604 . 16 1 1 A 54 54 ASP CB C 52 42.515 42.271 0.244 1 1 605 . 16 1 1 A 54 54 ASP N N 52 125.772 127.595 -1.823 1 1 606 . 16 1 1 A 55 55 PRO HA H 53 4.025 4.279 -0.254 1 1 613 . 16 1 1 A 55 55 PRO C C 53 176.126 177.267 -1.141 1 1 614 . 16 1 1 A 55 55 PRO CA C 53 63.993 63.981 0.012 1 1 615 . 16 1 1 A 55 55 PRO CB C 53 33.002 31.639 1.363 1 1 618 . 16 1 1 A 56 56 LYS H H 54 7.931 7.927 0.004 1 1 619 . 16 1 1 A 56 56 LYS HA H 54 3.988 4.338 -0.350 1 1 628 . 16 1 1 A 56 56 LYS C C 54 177.931 176.432 1.499 1 1 629 . 16 1 1 A 56 56 LYS CA C 54 56.770 56.254 0.516 1 1 630 . 16 1 1 A 56 56 LYS CB C 54 32.023 33.166 -1.143 1 1 634 . 16 1 1 A 56 56 LYS N N 54 112.924 115.977 -3.053 1 1 635 . 16 1 1 A 57 57 LEU H H 55 7.162 7.276 -0.114 1 1 636 . 16 1 1 A 57 57 LEU HA H 55 4.059 4.148 -0.089 1 1 646 . 16 1 1 A 57 57 LEU C C 55 179.416 177.892 1.524 1 1 647 . 16 1 1 A 57 57 LEU CA C 55 56.088 55.081 1.007 1 1 648 . 16 1 1 A 57 57 LEU CB C 55 42.191 42.588 -0.397 1 1 652 . 16 1 1 A 57 57 LEU N N 55 120.593 121.899 -1.306 1 1 653 . 16 1 1 A 58 58 LYS H H 56 8.720 9.091 -0.371 1 1 654 . 16 1 1 A 58 58 LYS HA H 56 3.920 3.843 0.077 1 1 663 . 16 1 1 A 58 58 LYS C C 56 178.937 178.105 0.832 1 1 664 . 16 1 1 A 58 58 LYS CA C 56 60.301 60.076 0.225 1 1 665 . 16 1 1 A 58 58 LYS CB C 56 32.121 32.480 -0.359 1 1 669 . 16 1 1 A 58 58 LYS N N 56 125.479 125.143 0.336 1 1 670 . 16 1 1 A 59 59 TRP H H 57 7.811 8.385 -0.574 1 1 671 . 16 1 1 A 59 59 TRP HA H 57 4.664 4.499 0.165 1 1 680 . 16 1 1 A 59 59 TRP C C 57 178.868 179.282 -0.414 1 1 681 . 16 1 1 A 59 59 TRP CA C 57 58.897 59.936 -1.039 1 1 682 . 16 1 1 A 59 59 TRP CB C 57 28.036 28.091 -0.055 1 1 688 . 16 1 1 A 59 59 TRP N N 57 113.433 119.390 -5.957 1 1 690 . 16 1 1 A 60 60 ILE H H 58 6.467 7.545 -1.078 1 1 691 . 16 1 1 A 60 60 ILE HA H 58 3.325 3.491 -0.166 1 1 701 . 16 1 1 A 60 60 ILE C C 58 177.726 177.718 0.008 1 1 702 . 16 1 1 A 60 60 ILE CA C 58 64.314 64.815 -0.501 1 1 703 . 16 1 1 A 60 60 ILE CB C 58 35.897 37.022 -1.125 1 1 707 . 16 1 1 A 60 60 ILE N N 58 124.379 122.532 1.847 1 1 708 . 16 1 1 A 61 61 GLN H H 59 7.624 8.755 -1.131 1 1 709 . 16 1 1 A 61 61 GLN HA H 59 3.755 3.930 -0.175 1 1 716 . 16 1 1 A 61 61 GLN C C 59 178.434 179.120 -0.686 1 1 717 . 16 1 1 A 61 61 GLN CA C 59 59.379 59.024 0.355 1 1 718 . 16 1 1 A 61 61 GLN CB C 59 28.602 28.336 0.266 1 1 720 . 16 1 1 A 61 61 GLN N N 59 119.070 118.685 0.385 1 1 722 . 16 1 1 A 62 62 GLU H H 60 8.064 7.895 0.169 1 1 723 . 16 1 1 A 62 62 GLU HA H 60 4.087 4.067 0.020 1 1 728 . 16 1 1 A 62 62 GLU C C 60 179.051 178.570 0.481 1 1 729 . 16 1 1 A 62 62 GLU CA C 60 59.659 59.078 0.581 1 1 730 . 16 1 1 A 62 62 GLU CB C 60 30.457 29.693 0.764 1 1 732 . 16 1 1 A 62 62 GLU N N 60 117.166 121.202 -4.036 1 1 733 . 16 1 1 A 63 63 TYR H H 61 7.924 8.743 -0.819 1 1 734 . 16 1 1 A 63 63 TYR HA H 61 4.254 4.235 0.019 1 1 741 . 16 1 1 A 63 63 TYR C C 61 178.617 177.489 1.128 1 1 742 . 16 1 1 A 63 63 TYR CA C 61 61.184 61.525 -0.341 1 1 743 . 16 1 1 A 63 63 TYR CB C 61 39.461 38.765 0.696 1 1 746 . 16 1 1 A 63 63 TYR N N 61 121.271 122.390 -1.119 1 1 747 . 16 1 1 A 64 64 LEU H H 62 8.260 9.011 -0.751 1 1 748 . 16 1 1 A 64 64 LEU HA H 62 3.966 3.974 -0.008 1 1 758 . 16 1 1 A 64 64 LEU C C 62 179.553 178.862 0.691 1 1 759 . 16 1 1 A 64 64 LEU CA C 62 58.014 58.304 -0.290 1 1 760 . 16 1 1 A 64 64 LEU CB C 62 42.397 41.718 0.679 1 1 764 . 16 1 1 A 64 64 LEU N N 62 116.299 120.229 -3.930 1 1 765 . 16 1 1 A 65 65 GLU H H 63 8.454 7.912 0.542 1 1 766 . 16 1 1 A 65 65 GLU HA H 63 3.854 3.909 -0.055 1 1 771 . 16 1 1 A 65 65 GLU C C 63 179.279 178.579 0.700 1 1 772 . 16 1 1 A 65 65 GLU CA C 63 60.301 60.094 0.207 1 1 773 . 16 1 1 A 65 65 GLU CB C 63 29.870 29.343 0.527 1 1 775 . 16 1 1 A 65 65 GLU N N 63 118.616 118.835 -0.219 1 1 776 . 16 1 1 A 66 66 LYS H H 64 7.575 8.294 -0.719 1 1 777 . 16 1 1 A 66 66 LYS HA H 64 4.225 4.073 0.152 1 1 786 . 16 1 1 A 66 66 LYS C C 64 178.457 177.916 0.541 1 1 787 . 16 1 1 A 66 66 LYS CA C 64 58.496 59.179 -0.683 1 1 788 . 16 1 1 A 66 66 LYS CB C 64 32.400 31.976 0.424 1 1 792 . 16 1 1 A 66 66 LYS N N 64 117.166 118.135 -0.969 1 1 793 . 16 1 1 A 67 67 CYS H H 65 7.918 8.008 -0.090 1 1 794 . 16 1 1 A 67 67 CYS HA H 65 4.526 4.848 -0.322 1 1 797 . 16 1 1 A 67 67 CYS C C 65 174.893 176.637 -1.744 1 1 798 . 16 1 1 A 67 67 CYS CA C 65 56.329 59.632 -3.303 1 1 799 . 16 1 1 A 67 67 CYS CB C 65 45.235 27.122 18.113 1 1 800 . 16 1 1 A 67 67 CYS N N 65 115.330 117.892 -2.562 1 1 801 . 16 1 1 A 68 68 LEU H H 66 7.559 7.879 -0.320 1 1 802 . 16 1 1 A 68 68 LEU HA H 66 4.491 4.017 0.474 1 1 812 . 16 1 1 A 68 68 LEU C C 66 176.812 178.036 -1.224 1 1 813 . 16 1 1 A 68 68 LEU CA C 66 55.366 57.666 -2.300 1 1 814 . 16 1 1 A 68 68 LEU CB C 66 43.278 41.957 1.321 1 1 818 . 16 1 1 A 68 68 LEU N N 66 120.930 122.744 -1.814 1 1 819 . 16 1 1 A 69 69 ASN H H 67 8.265 7.520 0.745 1 1 820 . 16 1 1 A 69 69 ASN HA H 67 4.669 4.757 -0.088 1 1 825 . 16 1 1 A 69 69 ASN CA C 67 53.761 54.979 -1.218 1 1 826 . 16 1 1 A 69 69 ASN CB C 67 39.069 39.806 -0.737 1 1 827 . 16 1 1 A 69 69 ASN N N 67 120.279 116.444 3.835 1 1 852 . 16 2 2 B 4 4 GLU H H 102 8.342 8.754 -0.412 1 1 853 . 16 2 2 B 4 4 GLU HA H 102 4.282 4.757 -0.475 1 1 858 . 16 2 2 B 4 4 GLU C C 102 177.132 176.052 1.080 1 1 859 . 16 2 2 B 4 4 GLU CA C 102 57.410 55.185 2.225 1 1 861 . 16 2 2 B 4 4 GLU N N 102 121.884 121.048 0.836 1 1 862 . 16 2 2 B 5 5 GLY H H 103 8.331 9.046 -0.715 1 1 863 . 16 2 2 B 5 5 GLY HA2 H 103 3.960 3.896 0.064 1 1 864 . 16 2 2 B 5 5 GLY HA3 H 103 3.960 3.904 0.056 1 1 865 . 16 2 2 B 5 5 GLY C C 103 174.207 173.898 0.309 1 1 866 . 16 2 2 B 5 5 GLY CA C 103 45.731 45.626 0.105 1 1 867 . 16 2 2 B 5 5 GLY N N 103 110.055 114.752 -4.697 1 1 868 . 16 2 2 B 6 6 ILE H H 104 7.831 7.393 0.438 1 1 869 . 16 2 2 B 6 6 ILE HA H 104 4.286 4.173 0.113 1 1 879 . 16 2 2 B 6 6 ILE C C 104 176.401 175.895 0.506 1 1 880 . 16 2 2 B 6 6 ILE CA C 104 61.558 60.753 0.805 1 1 881 . 16 2 2 B 6 6 ILE CB C 104 39.436 38.226 1.210 1 1 885 . 16 2 2 B 6 6 ILE N N 104 119.606 120.696 -1.090 1 1 886 . 16 2 2 B 7 7 SER H H 105 8.350 8.543 -0.193 1 1 887 . 16 2 2 B 7 7 SER HA H 105 4.545 3.995 0.550 1 1 890 . 16 2 2 B 7 7 SER C C 105 174.550 173.667 0.883 1 1 891 . 16 2 2 B 7 7 SER CA C 105 58.667 58.728 -0.061 1 1 892 . 16 2 2 B 7 7 SER CB C 105 64.072 62.019 2.053 1 1 893 . 16 2 2 B 7 7 SER N N 105 119.853 120.833 -0.980 1 1 894 . 16 2 2 B 8 8 ILE H H 106 7.921 8.412 -0.491 1 1 895 . 16 2 2 B 8 8 ILE HA H 106 4.205 4.143 0.062 1 1 905 . 16 2 2 B 8 8 ILE C C 106 175.921 175.138 0.783 1 1 906 . 16 2 2 B 8 8 ILE CA C 106 61.935 61.203 0.732 1 1 907 . 16 2 2 B 8 8 ILE CB C 106 39.436 37.175 2.261 1 1 911 . 16 2 2 B 8 8 ILE N N 106 121.730 125.293 -3.563 1 1 912 . 16 2 2 B 9 9 TYR H H 107 8.166 8.469 -0.303 1 1 913 . 16 2 2 B 9 9 TYR HA H 107 4.713 4.579 0.134 1 1 920 . 16 2 2 B 9 9 TYR C C 107 176.058 175.602 0.456 1 1 921 . 16 2 2 B 9 9 TYR CA C 107 58.165 57.957 0.208 1 1 922 . 16 2 2 B 9 9 TYR CB C 107 39.436 39.329 0.107 1 1 925 . 16 2 2 B 9 9 TYR N N 107 123.598 128.634 -5.036 1 1 926 . 16 2 2 B 10 10 THR H H 108 7.961 8.678 -0.717 1 1 927 . 16 2 2 B 10 10 THR HA H 108 4.433 5.007 -0.574 1 1 932 . 16 2 2 B 10 10 THR C C 108 174.459 174.718 -0.259 1 1 933 . 16 2 2 B 10 10 THR CA C 108 62.061 61.728 0.333 1 1 934 . 16 2 2 B 10 10 THR CB C 108 70.608 69.868 0.740 1 1 936 . 16 2 2 B 10 10 THR N N 108 115.642 116.825 -1.183 1 1 937 . 16 2 2 B 11 11 SER H H 109 8.211 8.970 -0.759 1 1 938 . 16 2 2 B 11 11 SER HA H 109 4.507 4.880 -0.373 1 1 941 . 16 2 2 B 11 11 SER C C 109 174.504 173.712 0.792 1 1 942 . 16 2 2 B 11 11 SER CA C 109 58.919 57.096 1.823 1 1 943 . 16 2 2 B 11 11 SER CB C 109 64.198 65.005 -0.807 1 1 944 . 16 2 2 B 11 11 SER N N 109 117.260 120.459 -3.199 1 1 945 . 16 2 2 B 12 12 ASP H H 110 8.351 8.705 -0.354 1 1 946 . 16 2 2 B 12 12 ASP HA H 110 4.631 4.994 -0.363 1 1 949 . 16 2 2 B 12 12 ASP C C 110 176.058 176.243 -0.185 1 1 950 . 16 2 2 B 12 12 ASP CA C 110 55.022 53.337 1.685 1 1 951 . 16 2 2 B 12 12 ASP CB C 110 41.825 41.565 0.260 1 1 952 . 16 2 2 B 12 12 ASP N N 110 122.020 119.471 2.549 1 1 953 . 16 2 2 B 13 13 ASN H H 111 8.230 8.444 -0.214 1 1 954 . 16 2 2 B 13 13 ASN HA H 111 4.726 5.034 -0.308 1 1 957 . 16 2 2 B 13 13 ASN C C 111 175.030 174.327 0.703 1 1 958 . 16 2 2 B 13 13 ASN CA C 111 53.765 53.404 0.361 1 1 959 . 16 2 2 B 13 13 ASN CB C 111 39.562 41.543 -1.981 1 1 960 . 16 2 2 B 13 13 ASN N N 111 118.317 117.723 0.594 1 1 961 . 16 2 2 B 14 14 TYR H H 112 8.101 7.833 0.268 1 1 962 . 16 2 2 B 14 14 TYR HA H 112 4.638 4.859 -0.221 1 1 969 . 16 2 2 B 14 14 TYR C C 112 176.081 174.819 1.262 1 1 970 . 16 2 2 B 14 14 TYR CA C 112 58.793 56.358 2.435 1 1 971 . 16 2 2 B 14 14 TYR CB C 112 39.436 41.130 -1.694 1 1 974 . 16 2 2 B 14 14 TYR N N 112 120.850 120.181 0.669 1 1 975 . 16 2 2 B 15 15 THR H H 113 7.879 8.011 -0.132 1 1 976 . 16 2 2 B 15 15 THR HA H 113 4.284 4.318 -0.034 1 1 981 . 16 2 2 B 15 15 THR C C 113 174.413 174.636 -0.223 1 1 982 . 16 2 2 B 15 15 THR CA C 113 62.187 60.722 1.465 1 1 983 . 16 2 2 B 15 15 THR CB C 113 70.341 67.745 2.596 1 1 985 . 16 2 2 B 15 15 THR N N 113 116.126 115.594 0.532 1 1 986 . 16 2 2 B 16 16 GLU H H 114 8.253 8.166 0.087 1 1 987 . 16 2 2 B 16 16 GLU HA H 114 4.256 4.448 -0.192 1 1 992 . 16 2 2 B 16 16 GLU C C 114 176.766 175.533 1.233 1 1 993 . 16 2 2 B 16 16 GLU CA C 114 57.410 56.233 1.177 1 1 994 . 16 2 2 B 16 16 GLU CB C 114 30.620 29.200 1.420 1 1 996 . 16 2 2 B 16 16 GLU N N 114 123.052 121.544 1.508 1 1 997 . 16 2 2 B 17 17 GLU H H 115 8.331 7.623 0.708 1 1 998 . 16 2 2 B 17 17 GLU HA H 115 4.292 4.662 -0.370 1 1 1003 . 16 2 2 B 17 17 GLU C C 115 176.880 175.383 1.497 1 1 1004 . 16 2 2 B 17 17 GLU CA C 115 57.410 55.777 1.633 1 1 1005 . 16 2 2 B 17 17 GLU CB C 115 30.525 31.933 -1.408 1 1 1007 . 16 2 2 B 17 17 GLU N N 115 121.688 120.583 1.105 1 1 1008 . 16 2 2 B 18 18 MET H H 116 8.317 8.954 -0.637 1 1 1009 . 16 2 2 B 18 18 MET HA H 116 4.490 4.095 0.395 1 1 1014 . 16 2 2 B 18 18 MET C C 116 177.086 175.264 1.822 1 1 1015 . 16 2 2 B 18 18 MET CA C 116 56.279 56.109 0.170 1 1 1016 . 16 2 2 B 18 18 MET CB C 116 33.026 31.256 1.770 1 1 1017 . 16 2 2 B 18 18 MET N N 116 121.270 125.920 -4.650 1 1 1018 . 16 2 2 B 19 19 GLY H H 117 8.320 8.547 -0.227 1 1 1019 . 16 2 2 B 19 19 GLY HA2 H 117 4.054 4.135 -0.081 1 1 1020 . 16 2 2 B 19 19 GLY HA3 H 117 4.054 4.163 -0.109 1 1 1021 . 16 2 2 B 19 19 GLY C C 117 174.481 172.893 1.588 1 1 1022 . 16 2 2 B 19 19 GLY CA C 117 45.847 44.295 1.552 1 1 1023 . 16 2 2 B 19 19 GLY N N 117 110.055 112.931 -2.876 1 1 1024 . 16 2 2 B 20 20 SER H H 118 8.230 8.462 -0.232 1 1 1025 . 16 2 2 B 20 20 SER HA H 118 4.476 4.788 -0.312 1 1 1028 . 16 2 2 B 20 20 SER C C 118 175.327 174.049 1.278 1 1 1029 . 16 2 2 B 20 20 SER CA C 118 58.919 57.586 1.333 1 1 1030 . 16 2 2 B 20 20 SER CB C 118 64.575 64.129 0.446 1 1 1031 . 16 2 2 B 20 20 SER N N 118 115.664 114.366 1.298 1 1 1032 . 16 2 2 B 21 21 GLY H H 119 8.371 8.311 0.060 1 1 1033 . 16 2 2 B 21 21 GLY HA2 H 119 3.951 4.167 -0.216 1 1 1034 . 16 2 2 B 21 21 GLY HA3 H 119 3.951 4.170 -0.219 1 1 1035 . 16 2 2 B 21 21 GLY C C 119 174.002 171.840 2.162 1 1 1036 . 16 2 2 B 21 21 GLY CA C 119 45.721 45.827 -0.106 1 1 1037 . 16 2 2 B 21 21 GLY N N 119 110.872 107.716 3.156 1 1 1068 . 16 2 2 B 25 25 SER H H 123 8.155 8.129 0.026 1 1 1069 . 16 2 2 B 25 25 SER HA H 123 4.404 4.100 0.304 1 1 1072 . 16 2 2 B 25 25 SER C C 123 175.075 174.142 0.933 1 1 1073 . 16 2 2 B 25 25 SER CA C 123 59.347 59.484 -0.137 1 1 1074 . 16 2 2 B 25 25 SER CB C 123 63.879 61.212 2.667 1 1 1075 . 16 2 2 B 25 25 SER N N 123 116.126 114.839 1.287 1 1 1076 . 16 2 2 B 26 26 MET H H 124 8.221 7.402 0.819 1 1 1077 . 16 2 2 B 26 26 MET HA H 124 4.482 4.682 -0.200 1 1 1082 . 16 2 2 B 26 26 MET C C 124 176.355 175.486 0.869 1 1 1083 . 16 2 2 B 26 26 MET CA C 124 56.279 54.592 1.687 1 1 1084 . 16 2 2 B 26 26 MET CB C 124 32.900 34.063 -1.163 1 1 1086 . 16 2 2 B 26 26 MET N N 124 121.210 122.169 -0.959 1 1 1087 . 16 2 2 B 27 27 LYS H H 125 8.036 9.067 -1.031 1 1 1088 . 16 2 2 B 27 27 LYS HA H 125 4.333 5.331 -0.998 1 1 1097 . 16 2 2 B 27 27 LYS C C 125 176.355 174.952 1.403 1 1 1098 . 16 2 2 B 27 27 LYS CA C 125 56.656 54.582 2.074 1 1 1099 . 16 2 2 B 27 27 LYS CB C 125 33.529 36.318 -2.789 1 1 1103 . 16 2 2 B 27 27 LYS N N 125 121.457 121.736 -0.279 1 1 1104 . 16 2 2 B 28 28 GLU H H 126 8.205 8.629 -0.424 1 1 1105 . 16 2 2 B 28 28 GLU N N 126 122.740 120.208 2.532 1 1 1106 . 16 2 2 B 29 29 PRO HA H 127 4.377 4.453 -0.076 1 1 1113 . 16 2 2 B 29 29 PRO C C 127 176.812 175.822 0.990 1 1 1114 . 16 2 2 B 29 29 PRO CA C 127 63.821 63.207 0.614 1 1 1115 . 16 2 2 B 29 29 PRO CB C 127 32.272 31.726 0.546 1 1 1118 . 16 2 2 B 30 30 ALA H H 128 8.273 8.746 -0.473 1 1 1119 . 16 2 2 B 30 30 ALA HA H 128 4.287 4.609 -0.322 1 1 1123 . 16 2 2 B 30 30 ALA C C 128 177.589 177.389 0.200 1 1 1124 . 16 2 2 B 30 30 ALA CA C 128 52.873 50.689 2.184 1 1 1125 . 16 2 2 B 30 30 ALA CB C 128 19.703 19.194 0.509 1 1 1126 . 16 2 2 B 30 30 ALA N N 128 123.577 126.527 -2.950 1 1 1127 . 16 2 2 B 31 31 PHE H H 129 8.019 8.949 -0.930 1 1 1128 . 16 2 2 B 31 31 PHE HA H 129 4.621 4.327 0.294 1 1 1135 . 16 2 2 B 31 31 PHE C C 129 175.624 175.753 -0.129 1 1 1136 . 16 2 2 B 31 31 PHE CA C 129 58.039 60.129 -2.090 1 1 1137 . 16 2 2 B 31 31 PHE CB C 129 40.055 40.000 0.055 1 1 1140 . 16 2 2 B 31 31 PHE N N 129 118.994 125.671 -6.677 1 1 1141 . 16 2 2 B 32 32 ARG H H 130 8.042 7.808 0.234 1 1 1142 . 16 2 2 B 32 32 ARG HA H 130 4.332 4.160 0.172 1 1 1149 . 16 2 2 B 32 32 ARG C C 130 175.875 176.220 -0.345 1 1 1150 . 16 2 2 B 32 32 ARG CA C 130 56.154 56.201 -0.047 1 1 1151 . 16 2 2 B 32 32 ARG CB C 130 31.643 30.530 1.113 1 1 1154 . 16 2 2 B 32 32 ARG N N 130 122.929 119.962 2.967 1 1 1155 . 16 2 2 B 33 33 GLU H H 131 8.389 8.705 -0.316 1 1 1156 . 16 2 2 B 33 33 GLU HA H 131 4.276 4.522 -0.246 1 1 1161 . 16 2 2 B 33 33 GLU C C 131 176.766 175.960 0.806 1 1 1162 . 16 2 2 B 33 33 GLU CA C 131 57.285 56.049 1.236 1 1 1163 . 16 2 2 B 33 33 GLU CB C 131 30.512 31.368 -0.856 1 1 1165 . 16 2 2 B 33 33 GLU N N 131 122.719 125.272 -2.553 1 1 1166 . 16 2 2 B 34 34 GLU H H 132 8.502 8.881 -0.379 1 1 1167 . 16 2 2 B 34 34 GLU HA H 132 4.275 4.719 -0.444 1 1 1172 . 16 2 2 B 34 34 GLU C C 132 176.560 176.538 0.022 1 1 1173 . 16 2 2 B 34 34 GLU CA C 132 57.400 55.112 2.288 1 1 1174 . 16 2 2 B 34 34 GLU CB C 132 30.526 30.398 0.128 1 1 1176 . 16 2 2 B 34 34 GLU N N 132 122.122 122.327 -0.205 1 1 1177 . 16 2 2 B 35 35 ASN H H 133 8.362 9.002 -0.640 1 1 1178 . 16 2 2 B 35 35 ASN HA H 133 4.693 4.909 -0.216 1 1 1181 . 16 2 2 B 35 35 ASN C C 133 175.258 174.894 0.364 1 1 1182 . 16 2 2 B 35 35 ASN CA C 133 53.765 52.484 1.281 1 1 1183 . 16 2 2 B 35 35 ASN CB C 133 39.562 38.694 0.868 1 1 1184 . 16 2 2 B 35 35 ASN N N 133 119.552 124.416 -4.864 1 1 1185 . 16 2 2 B 36 36 ALA H H 134 8.155 7.444 0.711 1 1 1186 . 16 2 2 B 36 36 ALA HA H 134 4.289 4.355 -0.066 1 1 1190 . 16 2 2 B 36 36 ALA C C 134 177.520 176.551 0.969 1 1 1191 . 16 2 2 B 36 36 ALA CA C 134 52.873 51.941 0.932 1 1 1192 . 16 2 2 B 36 36 ALA CB C 134 19.703 18.875 0.828 1 1 1193 . 16 2 2 B 36 36 ALA N N 134 124.376 122.423 1.953 1 1 1194 . 16 2 2 B 37 37 ASN H H 135 8.210 8.632 -0.422 1 1 1195 . 16 2 2 B 37 37 ASN HA H 135 4.694 4.966 -0.272 1 1 1198 . 16 2 2 B 37 37 ASN C C 135 175.144 174.330 0.814 1 1 1199 . 16 2 2 B 37 37 ASN CA C 135 53.640 52.511 1.129 1 1 1200 . 16 2 2 B 37 37 ASN CB C 135 39.311 38.713 0.598 1 1 1201 . 16 2 2 B 37 37 ASN N N 135 117.103 124.200 -7.097 1 1 1202 . 16 2 2 B 38 38 PHE H H 136 7.997 8.064 -0.067 1 1 1203 . 16 2 2 B 38 38 PHE HA H 136 4.659 4.898 -0.239 1 1 1210 . 16 2 2 B 38 38 PHE C C 136 175.601 173.201 2.400 1 1 1211 . 16 2 2 B 38 38 PHE CA C 136 58.165 58.452 -0.287 1 1 1212 . 16 2 2 B 38 38 PHE CB C 136 39.939 42.358 -2.419 1 1 1215 . 16 2 2 B 38 38 PHE N N 136 120.229 125.751 -5.522 1 1 1216 . 16 2 2 B 39 39 ASN H H 137 8.272 8.651 -0.379 1 1 1217 . 16 2 2 B 39 39 ASN HA H 137 4.733 5.359 -0.626 1 1 1220 . 16 2 2 B 39 39 ASN C C 137 174.047 173.086 0.961 1 1 1221 . 16 2 2 B 39 39 ASN CA C 137 53.891 51.152 2.739 1 1 1222 . 16 2 2 B 39 39 ASN CB C 137 39.688 42.165 -2.477 1 1 1223 . 16 2 2 B 39 39 ASN N N 137 120.594 123.756 -3.162 1 1 3 . 17 1 1 A 4 4 PRO HA H 2 4.509 4.800 -0.291 1 1 10 . 17 1 1 A 4 4 PRO C C 2 177.132 175.845 1.287 1 1 11 . 17 1 1 A 4 4 PRO CA C 2 63.529 62.468 1.061 1 1 12 . 17 1 1 A 4 4 PRO CB C 2 32.476 30.635 1.841 1 1 15 . 17 1 1 A 5 5 VAL H H 3 8.201 8.186 0.015 1 1 16 . 17 1 1 A 5 5 VAL HA H 3 4.152 4.473 -0.321 1 1 24 . 17 1 1 A 5 5 VAL C C 3 176.423 174.402 2.021 1 1 25 . 17 1 1 A 5 5 VAL CA C 3 62.873 61.532 1.341 1 1 26 . 17 1 1 A 5 5 VAL CB C 3 33.455 32.004 1.451 1 1 28 . 17 1 1 A 5 5 VAL N N 3 120.488 124.850 -4.362 1 1 29 . 17 1 1 A 6 6 SER H H 4 8.276 8.559 -0.283 1 1 30 . 17 1 1 A 6 6 SER HA H 4 4.494 4.932 -0.438 1 1 33 . 17 1 1 A 6 6 SER C C 4 174.687 172.469 2.218 1 1 34 . 17 1 1 A 6 6 SER CA C 4 58.375 57.552 0.823 1 1 35 . 17 1 1 A 6 6 SER CB C 4 64.295 65.743 -1.448 1 1 36 . 17 1 1 A 6 6 SER N N 4 119.000 119.288 -0.288 1 1 37 . 17 1 1 A 7 7 LEU H H 5 8.238 8.372 -0.134 1 1 38 . 17 1 1 A 7 7 LEU HA H 5 4.406 4.443 -0.037 1 1 44 . 17 1 1 A 7 7 LEU C C 5 177.406 176.070 1.336 1 1 45 . 17 1 1 A 7 7 LEU CA C 5 55.766 54.019 1.747 1 1 46 . 17 1 1 A 7 7 LEU CB C 5 43.132 41.637 1.495 1 1 48 . 17 1 1 A 7 7 LEU N N 5 124.704 119.903 4.801 1 1 49 . 17 1 1 A 8 8 SER H H 6 8.148 7.978 0.170 1 1 50 . 17 1 1 A 8 8 SER HA H 6 4.438 4.804 -0.366 1 1 53 . 17 1 1 A 8 8 SER C C 6 174.321 172.339 1.982 1 1 54 . 17 1 1 A 8 8 SER CA C 6 58.718 57.598 1.120 1 1 55 . 17 1 1 A 8 8 SER CB C 6 64.295 67.153 -2.858 1 1 56 . 17 1 1 A 8 8 SER N N 6 115.960 119.435 -3.475 1 1 57 . 17 1 1 A 9 9 TYR H H 7 7.954 8.778 -0.824 1 1 58 . 17 1 1 A 9 9 TYR HA H 7 4.585 5.073 -0.488 1 1 65 . 17 1 1 A 9 9 TYR C C 7 175.532 176.091 -0.559 1 1 66 . 17 1 1 A 9 9 TYR CA C 7 58.335 57.459 0.876 1 1 67 . 17 1 1 A 9 9 TYR CB C 7 39.474 39.539 -0.065 1 1 70 . 17 1 1 A 9 9 TYR N N 7 121.884 121.649 0.235 1 1 71 . 17 1 1 A 10 10 ARG H H 8 8.117 8.742 -0.625 1 1 72 . 17 1 1 A 10 10 ARG HA H 8 4.349 5.056 -0.707 1 1 79 . 17 1 1 A 10 10 ARG C C 8 175.898 174.842 1.056 1 1 80 . 17 1 1 A 10 10 ARG CA C 8 56.048 54.286 1.762 1 1 81 . 17 1 1 A 10 10 ARG CB C 8 31.492 33.989 -2.497 1 1 84 . 17 1 1 A 10 10 ARG N N 8 121.977 122.472 -0.495 1 1 85 . 17 1 1 A 11 11 CYS H H 9 8.127 8.878 -0.751 1 1 86 . 17 1 1 A 11 11 CYS HA H 9 4.984 5.670 -0.686 1 1 89 . 17 1 1 A 11 11 CYS C C 9 177.771 173.847 3.924 1 1 90 . 17 1 1 A 11 11 CYS CA C 9 53.192 54.432 -1.240 1 1 91 . 17 1 1 A 11 11 CYS CB C 9 40.897 46.149 -5.252 1 1 92 . 17 1 1 A 11 11 CYS N N 9 121.209 120.102 1.107 1 1 93 . 17 1 1 A 12 12 PRO HA H 10 4.321 4.359 -0.038 1 1 100 . 17 1 1 A 12 12 PRO CA C 10 65.478 64.285 1.193 1 1 101 . 17 1 1 A 12 12 PRO CB C 10 32.904 31.827 1.077 1 1 104 . 17 1 1 A 13 13 CYS H H 11 8.633 7.595 1.038 1 1 105 . 17 1 1 A 13 13 CYS C C 11 174.618 173.257 1.361 1 1 106 . 17 1 1 A 13 13 CYS N N 11 114.595 115.202 -0.607 1 1 107 . 17 1 1 A 14 14 ARG H H 12 8.236 8.700 -0.464 1 1 108 . 17 1 1 A 14 14 ARG HA H 12 4.067 4.207 -0.140 1 1 115 . 17 1 1 A 14 14 ARG C C 12 175.098 175.819 -0.721 1 1 116 . 17 1 1 A 14 14 ARG CA C 12 57.370 57.494 -0.124 1 1 117 . 17 1 1 A 14 14 ARG CB C 12 31.631 30.686 0.945 1 1 120 . 17 1 1 A 14 14 ARG N N 12 122.779 124.736 -1.957 1 1 121 . 17 1 1 A 15 15 PHE H H 13 7.615 7.686 -0.071 1 1 122 . 17 1 1 A 15 15 PHE HA H 13 4.510 4.981 -0.471 1 1 129 . 17 1 1 A 15 15 PHE C C 13 174.162 174.823 -0.661 1 1 130 . 17 1 1 A 15 15 PHE CA C 13 56.289 56.235 0.054 1 1 131 . 17 1 1 A 15 15 PHE CB C 13 41.320 43.078 -1.758 1 1 134 . 17 1 1 A 15 15 PHE N N 13 116.797 116.133 0.664 1 1 135 . 17 1 1 A 16 16 PHE H H 14 8.125 8.585 -0.460 1 1 136 . 17 1 1 A 16 16 PHE HA H 14 4.767 5.668 -0.901 1 1 143 . 17 1 1 A 16 16 PHE C C 14 175.441 173.244 2.197 1 1 144 . 17 1 1 A 16 16 PHE CA C 14 55.767 55.060 0.707 1 1 145 . 17 1 1 A 16 16 PHE CB C 14 41.320 42.611 -1.291 1 1 148 . 17 1 1 A 16 16 PHE N N 14 118.930 118.112 0.818 1 1 149 . 17 1 1 A 17 17 GLU H H 15 8.836 9.515 -0.679 1 1 150 . 17 1 1 A 17 17 GLU HA H 15 4.579 4.466 0.113 1 1 155 . 17 1 1 A 17 17 GLU C C 15 176.857 176.722 0.135 1 1 156 . 17 1 1 A 17 17 GLU CA C 15 56.289 57.187 -0.898 1 1 157 . 17 1 1 A 17 17 GLU CB C 15 31.173 30.016 1.157 1 1 159 . 17 1 1 A 17 17 GLU N N 15 122.929 121.726 1.203 1 1 160 . 17 1 1 A 18 18 SER H H 16 8.751 8.853 -0.102 1 1 161 . 17 1 1 A 18 18 SER HA H 16 4.762 4.774 -0.012 1 1 164 . 17 1 1 A 18 18 SER C C 16 177.497 173.862 3.635 1 1 165 . 17 1 1 A 18 18 SER CA C 16 59.328 58.707 0.621 1 1 166 . 17 1 1 A 18 18 SER CB C 16 64.515 64.005 0.510 1 1 167 . 17 1 1 A 18 18 SER N N 16 118.860 120.222 -1.362 1 1 168 . 17 1 1 A 19 19 HIS H H 17 8.761 7.701 1.060 1 1 169 . 17 1 1 A 19 19 HIS HA H 17 4.859 5.065 -0.206 1 1 174 . 17 1 1 A 19 19 HIS C C 17 174.618 173.510 1.108 1 1 175 . 17 1 1 A 19 19 HIS CA C 17 56.449 54.392 2.057 1 1 176 . 17 1 1 A 19 19 HIS CB C 17 29.870 30.397 -0.527 1 1 179 . 17 1 1 A 19 19 HIS N N 17 120.535 119.328 1.207 1 1 180 . 17 1 1 A 20 20 VAL H H 18 7.157 8.826 -1.669 1 1 181 . 17 1 1 A 20 20 VAL HA H 18 4.181 4.661 -0.480 1 1 189 . 17 1 1 A 20 20 VAL C C 18 174.436 173.852 0.584 1 1 190 . 17 1 1 A 20 20 VAL CA C 18 62.167 60.668 1.499 1 1 191 . 17 1 1 A 20 20 VAL CB C 18 34.426 35.788 -1.362 1 1 193 . 17 1 1 A 20 20 VAL N N 18 120.872 123.043 -2.171 1 1 194 . 17 1 1 A 21 21 ALA H H 19 8.521 8.617 -0.096 1 1 195 . 17 1 1 A 21 21 ALA HA H 19 4.372 4.243 0.129 1 1 199 . 17 1 1 A 21 21 ALA C C 19 177.657 177.915 -0.258 1 1 200 . 17 1 1 A 21 21 ALA CA C 19 51.193 51.727 -0.534 1 1 201 . 17 1 1 A 21 21 ALA CB C 19 19.790 19.456 0.334 1 1 202 . 17 1 1 A 21 21 ALA N N 19 131.339 128.613 2.726 1 1 203 . 17 1 1 A 22 22 ARG H H 20 7.790 8.111 -0.321 1 1 204 . 17 1 1 A 22 22 ARG HA H 20 2.445 2.539 -0.094 1 1 211 . 17 1 1 A 22 22 ARG C C 20 178.365 177.589 0.776 1 1 212 . 17 1 1 A 22 22 ARG CA C 20 59.379 59.156 0.223 1 1 213 . 17 1 1 A 22 22 ARG CB C 20 29.572 29.338 0.234 1 1 216 . 17 1 1 A 22 22 ARG N N 20 124.365 123.465 0.900 1 1 217 . 17 1 1 A 23 23 ALA H H 21 8.120 7.642 0.478 1 1 218 . 17 1 1 A 23 23 ALA HA H 21 4.060 4.108 -0.048 1 1 222 . 17 1 1 A 23 23 ALA C C 21 178.000 178.049 -0.049 1 1 223 . 17 1 1 A 23 23 ALA CA C 21 54.100 53.771 0.329 1 1 224 . 17 1 1 A 23 23 ALA CB C 21 18.713 18.288 0.425 1 1 225 . 17 1 1 A 23 23 ALA N N 21 117.156 120.492 -3.336 1 1 226 . 17 1 1 A 24 24 ASN H H 22 7.717 7.590 0.127 1 1 227 . 17 1 1 A 24 24 ASN HA H 22 5.010 4.761 0.249 1 1 232 . 17 1 1 A 24 24 ASN C C 22 174.938 174.811 0.127 1 1 233 . 17 1 1 A 24 24 ASN CA C 22 52.869 52.941 -0.072 1 1 234 . 17 1 1 A 24 24 ASN CB C 22 40.573 39.014 1.559 1 1 235 . 17 1 1 A 24 24 ASN N N 22 112.819 115.207 -2.388 1 1 237 . 17 1 1 A 25 25 VAL H H 23 7.489 7.302 0.187 1 1 238 . 17 1 1 A 25 25 VAL HA H 23 4.888 4.382 0.506 1 1 246 . 17 1 1 A 25 25 VAL C C 23 175.829 175.937 -0.108 1 1 247 . 17 1 1 A 25 25 VAL CA C 23 59.870 59.956 -0.086 1 1 248 . 17 1 1 A 25 25 VAL CB C 23 35.396 34.186 1.210 1 1 251 . 17 1 1 A 25 25 VAL N N 23 119.721 117.206 2.515 1 1 252 . 17 1 1 A 26 26 LYS H H 24 9.479 9.361 0.118 1 1 253 . 17 1 1 A 26 26 LYS HA H 24 4.353 4.294 0.059 1 1 262 . 17 1 1 A 26 26 LYS C C 24 176.606 177.005 -0.399 1 1 263 . 17 1 1 A 26 26 LYS CA C 24 58.977 58.058 0.919 1 1 264 . 17 1 1 A 26 26 LYS CB C 24 34.567 32.979 1.588 1 1 268 . 17 1 1 A 26 26 LYS N N 24 127.843 122.487 5.356 1 1 269 . 17 1 1 A 27 27 HIS H H 25 7.237 7.493 -0.256 1 1 270 . 17 1 1 A 27 27 HIS HA H 25 4.979 5.012 -0.033 1 1 275 . 17 1 1 A 27 27 HIS C C 25 178.434 172.505 5.929 1 1 276 . 17 1 1 A 27 27 HIS CA C 25 55.406 54.537 0.869 1 1 277 . 17 1 1 A 27 27 HIS CB C 25 32.480 31.670 0.810 1 1 280 . 17 1 1 A 27 27 HIS N N 25 109.556 113.028 -3.472 1 1 281 . 17 1 1 A 28 28 LEU H H 26 8.189 8.764 -0.575 1 1 282 . 17 1 1 A 28 28 LEU HA H 26 5.190 5.180 0.010 1 1 292 . 17 1 1 A 28 28 LEU C C 26 175.510 175.395 0.115 1 1 293 . 17 1 1 A 28 28 LEU CA C 26 53.480 53.536 -0.056 1 1 294 . 17 1 1 A 28 28 LEU CB C 26 45.235 45.127 0.108 1 1 298 . 17 1 1 A 28 28 LEU N N 26 117.260 119.530 -2.270 1 1 299 . 17 1 1 A 29 29 LYS H H 27 9.572 8.946 0.626 1 1 300 . 17 1 1 A 29 29 LYS HA H 27 5.372 5.240 0.132 1 1 309 . 17 1 1 A 29 29 LYS C C 27 174.801 174.421 0.380 1 1 310 . 17 1 1 A 29 29 LYS CA C 27 55.165 54.798 0.367 1 1 311 . 17 1 1 A 29 29 LYS CB C 27 35.253 35.735 -0.482 1 1 315 . 17 1 1 A 29 29 LYS N N 27 123.488 123.300 0.188 1 1 316 . 17 1 1 A 30 30 ILE H H 28 9.136 9.106 0.030 1 1 317 . 17 1 1 A 30 30 ILE HA H 28 4.926 5.240 -0.314 1 1 327 . 17 1 1 A 30 30 ILE C C 28 176.949 175.114 1.835 1 1 328 . 17 1 1 A 30 30 ILE CA C 28 60.542 59.493 1.049 1 1 329 . 17 1 1 A 30 30 ILE CB C 28 39.600 40.111 -0.511 1 1 333 . 17 1 1 A 30 30 ILE N N 28 123.846 127.503 -3.657 1 1 334 . 17 1 1 A 31 31 LEU H H 29 8.830 9.095 -0.265 1 1 335 . 17 1 1 A 31 31 LEU HA H 29 4.535 5.051 -0.516 1 1 344 . 17 1 1 A 31 31 LEU C C 29 176.012 175.141 0.871 1 1 345 . 17 1 1 A 31 31 LEU CA C 29 55.366 53.498 1.868 1 1 346 . 17 1 1 A 31 31 LEU CB C 29 43.180 46.271 -3.091 1 1 349 . 17 1 1 A 31 31 LEU N N 29 128.649 126.627 2.022 1 1 350 . 17 1 1 A 32 32 ASN H H 30 8.216 8.932 -0.716 1 1 351 . 17 1 1 A 32 32 ASN HA H 30 5.013 5.327 -0.314 1 1 356 . 17 1 1 A 32 32 ASN C C 30 174.664 174.428 0.236 1 1 357 . 17 1 1 A 32 32 ASN CA C 30 52.517 51.905 0.612 1 1 358 . 17 1 1 A 32 32 ASN CB C 30 38.776 40.023 -1.247 1 1 359 . 17 1 1 A 32 32 ASN N N 30 120.791 122.908 -2.117 1 1 361 . 17 1 1 A 33 33 THR H H 31 7.883 8.690 -0.807 1 1 362 . 17 1 1 A 33 33 THR HA H 31 4.842 5.030 -0.188 1 1 367 . 17 1 1 A 33 33 THR CA C 31 58.369 59.059 -0.690 1 1 368 . 17 1 1 A 33 33 THR CB C 31 70.018 69.012 1.006 1 1 370 . 17 1 1 A 33 33 THR N N 31 115.811 117.765 -1.954 1 1 371 . 17 1 1 A 34 34 PRO HA H 32 4.317 4.606 -0.289 1 1 378 . 17 1 1 A 34 34 PRO CA C 32 65.164 62.475 2.689 1 1 379 . 17 1 1 A 34 34 PRO CB C 32 32.484 30.146 2.338 1 1 382 . 17 1 1 A 35 35 ASN H H 33 8.254 8.449 -0.195 1 1 383 . 17 1 1 A 35 35 ASN HA H 33 4.651 4.797 -0.146 1 1 388 . 17 1 1 A 35 35 ASN C C 33 174.710 174.286 0.424 1 1 389 . 17 1 1 A 35 35 ASN CA C 33 54.532 53.583 0.949 1 1 390 . 17 1 1 A 35 35 ASN CB C 33 39.167 41.088 -1.921 1 1 391 . 17 1 1 A 35 35 ASN N N 33 120.081 120.886 -0.805 1 1 393 . 17 1 1 A 36 36 CYS H H 34 7.548 7.877 -0.329 1 1 394 . 17 1 1 A 36 36 CYS HA H 34 4.694 4.971 -0.277 1 1 397 . 17 1 1 A 36 36 CYS C C 34 173.865 173.510 0.355 1 1 398 . 17 1 1 A 36 36 CYS CA C 34 55.447 54.735 0.712 1 1 399 . 17 1 1 A 36 36 CYS CB C 34 45.228 46.664 -1.436 1 1 400 . 17 1 1 A 36 36 CYS N N 34 117.076 116.762 0.314 1 1 401 . 17 1 1 A 37 37 ALA H H 35 8.472 8.510 -0.038 1 1 402 . 17 1 1 A 37 37 ALA HA H 35 4.236 4.298 -0.062 1 1 406 . 17 1 1 A 37 37 ALA C C 35 176.423 177.105 -0.682 1 1 407 . 17 1 1 A 37 37 ALA CA C 35 53.537 51.806 1.731 1 1 408 . 17 1 1 A 37 37 ALA CB C 35 19.202 19.876 -0.674 1 1 409 . 17 1 1 A 37 37 ALA N N 35 125.153 125.069 0.084 1 1 410 . 17 1 1 A 38 38 CYS H H 36 8.316 8.539 -0.223 1 1 411 . 17 1 1 A 38 38 CYS HA H 36 4.196 4.520 -0.324 1 1 414 . 17 1 1 A 38 38 CYS C C 36 173.705 173.912 -0.207 1 1 415 . 17 1 1 A 38 38 CYS CA C 36 58.616 57.877 0.739 1 1 416 . 17 1 1 A 38 38 CYS CB C 36 45.705 25.978 19.727 1 1 417 . 17 1 1 A 38 38 CYS N N 36 118.837 118.207 0.630 1 1 418 . 17 1 1 A 39 39 GLN H H 37 8.921 7.896 1.025 1 1 419 . 17 1 1 A 39 39 GLN HA H 37 4.609 4.184 0.425 1 1 426 . 17 1 1 A 39 39 GLN C C 37 173.636 175.548 -1.912 1 1 427 . 17 1 1 A 39 39 GLN CA C 37 54.603 56.332 -1.729 1 1 428 . 17 1 1 A 39 39 GLN CB C 37 31.761 29.059 2.702 1 1 430 . 17 1 1 A 39 39 GLN N N 37 128.567 122.984 5.583 1 1 432 . 17 1 1 A 40 40 ILE H H 38 8.893 8.755 0.138 1 1 433 . 17 1 1 A 40 40 ILE HA H 38 5.068 4.926 0.142 1 1 443 . 17 1 1 A 40 40 ILE C C 38 174.390 175.080 -0.690 1 1 444 . 17 1 1 A 40 40 ILE CA C 38 60.582 59.722 0.860 1 1 445 . 17 1 1 A 40 40 ILE CB C 38 40.048 38.093 1.955 1 1 449 . 17 1 1 A 40 40 ILE N N 38 123.962 125.726 -1.764 1 1 450 . 17 1 1 A 41 41 VAL H H 39 9.120 9.706 -0.586 1 1 451 . 17 1 1 A 41 41 VAL HA H 39 4.845 4.769 0.076 1 1 459 . 17 1 1 A 41 41 VAL C C 39 175.487 175.144 0.343 1 1 460 . 17 1 1 A 41 41 VAL CA C 39 59.980 61.185 -1.205 1 1 461 . 17 1 1 A 41 41 VAL CB C 39 35.868 33.928 1.940 1 1 464 . 17 1 1 A 41 41 VAL N N 39 126.354 128.698 -2.344 1 1 465 . 17 1 1 A 42 42 ALA H H 40 9.513 9.102 0.411 1 1 466 . 17 1 1 A 42 42 ALA HA H 40 5.154 5.103 0.051 1 1 470 . 17 1 1 A 42 42 ALA C C 40 175.944 175.584 0.360 1 1 471 . 17 1 1 A 42 42 ALA CA C 40 50.591 50.241 0.350 1 1 472 . 17 1 1 A 42 42 ALA CB C 40 22.432 23.248 -0.816 1 1 473 . 17 1 1 A 42 42 ALA N N 40 128.406 128.932 -0.526 1 1 474 . 17 1 1 A 43 43 ARG H H 41 7.717 8.380 -0.663 1 1 475 . 17 1 1 A 43 43 ARG HA H 41 4.979 4.656 0.323 1 1 482 . 17 1 1 A 43 43 ARG C C 41 175.510 175.901 -0.391 1 1 483 . 17 1 1 A 43 43 ARG CA C 41 54.162 55.503 -1.341 1 1 484 . 17 1 1 A 43 43 ARG CB C 41 31.200 31.586 -0.386 1 1 487 . 17 1 1 A 43 43 ARG N N 41 121.663 120.990 0.673 1 1 488 . 17 1 1 A 44 44 LEU H H 42 9.163 8.508 0.655 1 1 489 . 17 1 1 A 44 44 LEU HA H 42 5.033 4.539 0.494 1 1 499 . 17 1 1 A 44 44 LEU C C 42 177.840 177.464 0.376 1 1 500 . 17 1 1 A 44 44 LEU CA C 42 54.724 54.465 0.259 1 1 501 . 17 1 1 A 44 44 LEU CB C 42 41.712 42.181 -0.469 1 1 505 . 17 1 1 A 44 44 LEU N N 42 129.087 124.279 4.808 1 1 506 . 17 1 1 A 45 45 LYS H H 43 8.417 9.260 -0.843 1 1 507 . 17 1 1 A 45 45 LYS HA H 43 3.950 4.134 -0.184 1 1 516 . 17 1 1 A 45 45 LYS CA C 43 59.016 56.706 2.310 1 1 517 . 17 1 1 A 45 45 LYS CB C 43 34.102 33.093 1.009 1 1 520 . 17 1 1 A 45 45 LYS N N 43 119.674 122.246 -2.572 1 1 521 . 17 1 1 A 48 48 ASN HA H 46 4.723 4.908 -0.185 1 1 526 . 17 1 1 A 48 48 ASN C C 46 175.098 174.734 0.364 1 1 527 . 17 1 1 A 48 48 ASN CA C 46 54.764 54.875 -0.111 1 1 528 . 17 1 1 A 48 48 ASN CB C 46 39.265 40.465 -1.200 1 1 530 . 17 1 1 A 49 49 ARG H H 47 7.919 7.879 0.040 1 1 531 . 17 1 1 A 49 49 ARG HA H 47 4.353 4.693 -0.340 1 1 538 . 17 1 1 A 49 49 ARG C C 47 175.601 173.861 1.740 1 1 539 . 17 1 1 A 49 49 ARG CA C 47 57.051 54.709 2.342 1 1 540 . 17 1 1 A 49 49 ARG CB C 47 32.121 32.266 -0.145 1 1 543 . 17 1 1 A 49 49 ARG N N 47 119.826 114.670 5.156 1 1 544 . 17 1 1 A 50 50 GLN H H 48 8.547 8.726 -0.179 1 1 545 . 17 1 1 A 50 50 GLN HA H 48 5.456 5.178 0.278 1 1 552 . 17 1 1 A 50 50 GLN C C 48 175.578 173.897 1.681 1 1 553 . 17 1 1 A 50 50 GLN CA C 48 55.125 53.699 1.426 1 1 554 . 17 1 1 A 50 50 GLN CB C 48 32.121 32.969 -0.848 1 1 556 . 17 1 1 A 50 50 GLN N N 48 120.767 117.511 3.256 1 1 558 . 17 1 1 A 51 51 VAL H H 49 8.630 8.820 -0.190 1 1 559 . 17 1 1 A 51 51 VAL HA H 49 4.826 4.762 0.064 1 1 567 . 17 1 1 A 51 51 VAL C C 49 175.258 174.142 1.116 1 1 568 . 17 1 1 A 51 51 VAL CA C 49 59.338 59.171 0.167 1 1 569 . 17 1 1 A 51 51 VAL CB C 49 36.155 35.867 0.288 1 1 572 . 17 1 1 A 51 51 VAL N N 49 116.678 116.489 0.189 1 1 573 . 17 1 1 A 52 52 CYS H H 50 9.100 8.553 0.547 1 1 574 . 17 1 1 A 52 52 CYS HA H 50 5.301 5.214 0.087 1 1 577 . 17 1 1 A 52 52 CYS C C 50 174.527 173.570 0.957 1 1 578 . 17 1 1 A 52 52 CYS CA C 50 58.054 55.073 2.981 1 1 579 . 17 1 1 A 52 52 CYS CB C 50 43.375 43.228 0.147 1 1 580 . 17 1 1 A 52 52 CYS N N 50 124.549 120.303 4.246 1 1 581 . 17 1 1 A 53 53 ILE H H 51 8.485 9.518 -1.033 1 1 582 . 17 1 1 A 53 53 ILE HA H 51 4.964 4.780 0.184 1 1 592 . 17 1 1 A 53 53 ILE C C 51 173.019 174.915 -1.896 1 1 593 . 17 1 1 A 53 53 ILE CA C 51 58.897 59.756 -0.859 1 1 594 . 17 1 1 A 53 53 ILE CB C 51 42.201 40.459 1.742 1 1 598 . 17 1 1 A 53 53 ILE N N 51 122.581 125.114 -2.533 1 1 599 . 17 1 1 A 54 54 ASP H H 52 7.661 8.434 -0.773 1 1 600 . 17 1 1 A 54 54 ASP HA H 52 3.642 4.700 -1.058 1 1 603 . 17 1 1 A 54 54 ASP CA C 52 51.574 51.944 -0.370 1 1 604 . 17 1 1 A 54 54 ASP CB C 52 42.515 42.177 0.338 1 1 605 . 17 1 1 A 54 54 ASP N N 52 125.772 125.813 -0.041 1 1 606 . 17 1 1 A 55 55 PRO HA H 53 4.025 4.229 -0.204 1 1 613 . 17 1 1 A 55 55 PRO C C 53 176.126 176.531 -0.405 1 1 614 . 17 1 1 A 55 55 PRO CA C 53 63.993 64.151 -0.158 1 1 615 . 17 1 1 A 55 55 PRO CB C 53 33.002 31.703 1.299 1 1 618 . 17 1 1 A 56 56 LYS H H 54 7.931 8.170 -0.239 1 1 619 . 17 1 1 A 56 56 LYS HA H 54 3.988 4.399 -0.411 1 1 628 . 17 1 1 A 56 56 LYS C C 54 177.931 176.024 1.907 1 1 629 . 17 1 1 A 56 56 LYS CA C 54 56.770 55.667 1.103 1 1 630 . 17 1 1 A 56 56 LYS CB C 54 32.023 33.044 -1.021 1 1 634 . 17 1 1 A 56 56 LYS N N 54 112.924 116.283 -3.359 1 1 635 . 17 1 1 A 57 57 LEU H H 55 7.162 7.284 -0.122 1 1 636 . 17 1 1 A 57 57 LEU HA H 55 4.059 4.143 -0.084 1 1 646 . 17 1 1 A 57 57 LEU C C 55 179.416 178.089 1.327 1 1 647 . 17 1 1 A 57 57 LEU CA C 55 56.088 55.273 0.815 1 1 648 . 17 1 1 A 57 57 LEU CB C 55 42.191 42.433 -0.242 1 1 652 . 17 1 1 A 57 57 LEU N N 55 120.593 121.365 -0.772 1 1 653 . 17 1 1 A 58 58 LYS H H 56 8.720 9.036 -0.316 1 1 654 . 17 1 1 A 58 58 LYS HA H 56 3.920 3.847 0.073 1 1 663 . 17 1 1 A 58 58 LYS C C 56 178.937 178.083 0.854 1 1 664 . 17 1 1 A 58 58 LYS CA C 56 60.301 59.982 0.319 1 1 665 . 17 1 1 A 58 58 LYS CB C 56 32.121 32.458 -0.337 1 1 669 . 17 1 1 A 58 58 LYS N N 56 125.479 125.470 0.009 1 1 670 . 17 1 1 A 59 59 TRP H H 57 7.811 8.486 -0.675 1 1 671 . 17 1 1 A 59 59 TRP HA H 57 4.664 4.508 0.156 1 1 680 . 17 1 1 A 59 59 TRP C C 57 178.868 179.332 -0.464 1 1 681 . 17 1 1 A 59 59 TRP CA C 57 58.897 59.872 -0.975 1 1 682 . 17 1 1 A 59 59 TRP CB C 57 28.036 28.118 -0.082 1 1 688 . 17 1 1 A 59 59 TRP N N 57 113.433 118.968 -5.535 1 1 690 . 17 1 1 A 60 60 ILE H H 58 6.467 7.254 -0.787 1 1 691 . 17 1 1 A 60 60 ILE HA H 58 3.325 3.388 -0.063 1 1 701 . 17 1 1 A 60 60 ILE C C 58 177.726 177.827 -0.101 1 1 702 . 17 1 1 A 60 60 ILE CA C 58 64.314 64.716 -0.402 1 1 703 . 17 1 1 A 60 60 ILE CB C 58 35.897 37.118 -1.221 1 1 707 . 17 1 1 A 60 60 ILE N N 58 124.379 122.475 1.904 1 1 708 . 17 1 1 A 61 61 GLN H H 59 7.624 8.462 -0.838 1 1 709 . 17 1 1 A 61 61 GLN HA H 59 3.755 3.902 -0.147 1 1 716 . 17 1 1 A 61 61 GLN C C 59 178.434 179.035 -0.601 1 1 717 . 17 1 1 A 61 61 GLN CA C 59 59.379 59.408 -0.029 1 1 718 . 17 1 1 A 61 61 GLN CB C 59 28.602 28.351 0.251 1 1 720 . 17 1 1 A 61 61 GLN N N 59 119.070 118.871 0.199 1 1 722 . 17 1 1 A 62 62 GLU H H 60 8.064 8.172 -0.108 1 1 723 . 17 1 1 A 62 62 GLU HA H 60 4.087 4.082 0.005 1 1 728 . 17 1 1 A 62 62 GLU C C 60 179.051 178.668 0.383 1 1 729 . 17 1 1 A 62 62 GLU CA C 60 59.659 59.369 0.290 1 1 730 . 17 1 1 A 62 62 GLU CB C 60 30.457 29.673 0.784 1 1 732 . 17 1 1 A 62 62 GLU N N 60 117.166 120.226 -3.060 1 1 733 . 17 1 1 A 63 63 TYR H H 61 7.924 7.808 0.116 1 1 734 . 17 1 1 A 63 63 TYR HA H 61 4.254 4.262 -0.008 1 1 741 . 17 1 1 A 63 63 TYR C C 61 178.617 177.734 0.883 1 1 742 . 17 1 1 A 63 63 TYR CA C 61 61.184 61.513 -0.329 1 1 743 . 17 1 1 A 63 63 TYR CB C 61 39.461 38.378 1.083 1 1 746 . 17 1 1 A 63 63 TYR N N 61 121.271 122.069 -0.798 1 1 747 . 17 1 1 A 64 64 LEU H H 62 8.260 9.115 -0.855 1 1 748 . 17 1 1 A 64 64 LEU HA H 62 3.966 3.966 0.000 1 1 758 . 17 1 1 A 64 64 LEU C C 62 179.553 179.339 0.214 1 1 759 . 17 1 1 A 64 64 LEU CA C 62 58.014 58.353 -0.339 1 1 760 . 17 1 1 A 64 64 LEU CB C 62 42.397 41.680 0.717 1 1 764 . 17 1 1 A 64 64 LEU N N 62 116.299 120.245 -3.946 1 1 765 . 17 1 1 A 65 65 GLU H H 63 8.454 8.443 0.011 1 1 766 . 17 1 1 A 65 65 GLU HA H 63 3.854 3.993 -0.139 1 1 771 . 17 1 1 A 65 65 GLU C C 63 179.279 179.141 0.138 1 1 772 . 17 1 1 A 65 65 GLU CA C 63 60.301 59.587 0.714 1 1 773 . 17 1 1 A 65 65 GLU CB C 63 29.870 29.154 0.716 1 1 775 . 17 1 1 A 65 65 GLU N N 63 118.616 117.476 1.140 1 1 776 . 17 1 1 A 66 66 LYS H H 64 7.575 8.109 -0.534 1 1 777 . 17 1 1 A 66 66 LYS HA H 64 4.225 4.318 -0.093 1 1 786 . 17 1 1 A 66 66 LYS C C 64 178.457 178.915 -0.458 1 1 787 . 17 1 1 A 66 66 LYS CA C 64 58.496 59.173 -0.677 1 1 788 . 17 1 1 A 66 66 LYS CB C 64 32.400 32.030 0.370 1 1 792 . 17 1 1 A 66 66 LYS N N 64 117.166 118.562 -1.396 1 1 793 . 17 1 1 A 67 67 CYS H H 65 7.918 8.311 -0.393 1 1 794 . 17 1 1 A 67 67 CYS HA H 65 4.526 4.032 0.494 1 1 797 . 17 1 1 A 67 67 CYS C C 65 174.893 177.030 -2.137 1 1 798 . 17 1 1 A 67 67 CYS CA C 65 56.329 63.605 -7.276 1 1 799 . 17 1 1 A 67 67 CYS CB C 65 45.235 27.410 17.825 1 1 800 . 17 1 1 A 67 67 CYS N N 65 115.330 118.207 -2.877 1 1 801 . 17 1 1 A 68 68 LEU H H 66 7.559 8.147 -0.588 1 1 802 . 17 1 1 A 68 68 LEU HA H 66 4.491 4.108 0.383 1 1 812 . 17 1 1 A 68 68 LEU C C 66 176.812 178.051 -1.239 1 1 813 . 17 1 1 A 68 68 LEU CA C 66 55.366 57.822 -2.456 1 1 814 . 17 1 1 A 68 68 LEU CB C 66 43.278 42.049 1.229 1 1 818 . 17 1 1 A 68 68 LEU N N 66 120.930 122.833 -1.903 1 1 819 . 17 1 1 A 69 69 ASN H H 67 8.265 8.730 -0.465 1 1 820 . 17 1 1 A 69 69 ASN HA H 67 4.669 5.068 -0.399 1 1 825 . 17 1 1 A 69 69 ASN CA C 67 53.761 54.688 -0.927 1 1 826 . 17 1 1 A 69 69 ASN CB C 67 39.069 40.737 -1.668 1 1 827 . 17 1 1 A 69 69 ASN N N 67 120.279 116.632 3.647 1 1 852 . 17 2 2 B 4 4 GLU H H 102 8.342 7.968 0.374 1 1 853 . 17 2 2 B 4 4 GLU HA H 102 4.282 4.561 -0.279 1 1 858 . 17 2 2 B 4 4 GLU C C 102 177.132 176.490 0.642 1 1 859 . 17 2 2 B 4 4 GLU CA C 102 57.410 54.884 2.526 1 1 861 . 17 2 2 B 4 4 GLU N N 102 121.884 119.120 2.764 1 1 862 . 17 2 2 B 5 5 GLY H H 103 8.331 8.434 -0.103 1 1 863 . 17 2 2 B 5 5 GLY HA2 H 103 3.960 4.027 -0.067 1 1 864 . 17 2 2 B 5 5 GLY HA3 H 103 3.960 4.028 -0.068 1 1 865 . 17 2 2 B 5 5 GLY C C 103 174.207 174.303 -0.096 1 1 866 . 17 2 2 B 5 5 GLY CA C 103 45.731 45.838 -0.107 1 1 867 . 17 2 2 B 5 5 GLY N N 103 110.055 113.483 -3.428 1 1 868 . 17 2 2 B 6 6 ILE H H 104 7.831 7.498 0.333 1 1 869 . 17 2 2 B 6 6 ILE HA H 104 4.286 4.135 0.151 1 1 879 . 17 2 2 B 6 6 ILE C C 104 176.401 175.397 1.004 1 1 880 . 17 2 2 B 6 6 ILE CA C 104 61.558 61.350 0.208 1 1 881 . 17 2 2 B 6 6 ILE CB C 104 39.436 36.430 3.006 1 1 885 . 17 2 2 B 6 6 ILE N N 104 119.606 121.132 -1.526 1 1 886 . 17 2 2 B 7 7 SER H H 105 8.350 8.075 0.275 1 1 887 . 17 2 2 B 7 7 SER HA H 105 4.545 4.943 -0.398 1 1 890 . 17 2 2 B 7 7 SER C C 105 174.550 172.611 1.939 1 1 891 . 17 2 2 B 7 7 SER CA C 105 58.667 57.262 1.405 1 1 892 . 17 2 2 B 7 7 SER CB C 105 64.072 67.320 -3.248 1 1 893 . 17 2 2 B 7 7 SER N N 105 119.853 122.111 -2.258 1 1 894 . 17 2 2 B 8 8 ILE H H 106 7.921 8.767 -0.846 1 1 895 . 17 2 2 B 8 8 ILE HA H 106 4.205 4.067 0.138 1 1 905 . 17 2 2 B 8 8 ILE C C 106 175.921 174.699 1.222 1 1 906 . 17 2 2 B 8 8 ILE CA C 106 61.935 61.200 0.735 1 1 907 . 17 2 2 B 8 8 ILE CB C 106 39.436 37.887 1.549 1 1 911 . 17 2 2 B 8 8 ILE N N 106 121.730 125.471 -3.741 1 1 912 . 17 2 2 B 9 9 TYR H H 107 8.166 9.037 -0.871 1 1 913 . 17 2 2 B 9 9 TYR HA H 107 4.713 4.584 0.129 1 1 920 . 17 2 2 B 9 9 TYR C C 107 176.058 175.976 0.082 1 1 921 . 17 2 2 B 9 9 TYR CA C 107 58.165 59.480 -1.315 1 1 922 . 17 2 2 B 9 9 TYR CB C 107 39.436 39.720 -0.284 1 1 925 . 17 2 2 B 9 9 TYR N N 107 123.598 126.471 -2.873 1 1 926 . 17 2 2 B 10 10 THR H H 108 7.961 7.860 0.101 1 1 927 . 17 2 2 B 10 10 THR HA H 108 4.433 4.943 -0.510 1 1 932 . 17 2 2 B 10 10 THR C C 108 174.459 172.488 1.971 1 1 933 . 17 2 2 B 10 10 THR CA C 108 62.061 61.508 0.553 1 1 934 . 17 2 2 B 10 10 THR CB C 108 70.608 73.677 -3.069 1 1 936 . 17 2 2 B 10 10 THR N N 108 115.642 112.120 3.522 1 1 937 . 17 2 2 B 11 11 SER H H 109 8.211 8.905 -0.694 1 1 938 . 17 2 2 B 11 11 SER HA H 109 4.507 5.450 -0.943 1 1 941 . 17 2 2 B 11 11 SER C C 109 174.504 173.640 0.864 1 1 942 . 17 2 2 B 11 11 SER CA C 109 58.919 56.602 2.317 1 1 943 . 17 2 2 B 11 11 SER CB C 109 64.198 66.805 -2.607 1 1 944 . 17 2 2 B 11 11 SER N N 109 117.260 119.273 -2.013 1 1 945 . 17 2 2 B 12 12 ASP H H 110 8.351 8.946 -0.595 1 1 946 . 17 2 2 B 12 12 ASP HA H 110 4.631 4.313 0.318 1 1 949 . 17 2 2 B 12 12 ASP C C 110 176.058 174.996 1.062 1 1 950 . 17 2 2 B 12 12 ASP CA C 110 55.022 55.454 -0.432 1 1 951 . 17 2 2 B 12 12 ASP CB C 110 41.825 40.387 1.438 1 1 952 . 17 2 2 B 12 12 ASP N N 110 122.020 125.515 -3.495 1 1 953 . 17 2 2 B 13 13 ASN H H 111 8.230 8.082 0.148 1 1 954 . 17 2 2 B 13 13 ASN HA H 111 4.726 5.260 -0.534 1 1 957 . 17 2 2 B 13 13 ASN C C 111 175.030 174.753 0.277 1 1 958 . 17 2 2 B 13 13 ASN CA C 111 53.765 51.980 1.785 1 1 959 . 17 2 2 B 13 13 ASN CB C 111 39.562 41.259 -1.697 1 1 960 . 17 2 2 B 13 13 ASN N N 111 118.317 116.678 1.639 1 1 961 . 17 2 2 B 14 14 TYR H H 112 8.101 9.376 -1.275 1 1 962 . 17 2 2 B 14 14 TYR HA H 112 4.638 4.244 0.394 1 1 969 . 17 2 2 B 14 14 TYR C C 112 176.081 175.015 1.066 1 1 970 . 17 2 2 B 14 14 TYR CA C 112 58.793 59.208 -0.415 1 1 971 . 17 2 2 B 14 14 TYR CB C 112 39.436 37.710 1.726 1 1 974 . 17 2 2 B 14 14 TYR N N 112 120.850 124.919 -4.069 1 1 975 . 17 2 2 B 15 15 THR H H 113 7.879 8.567 -0.688 1 1 976 . 17 2 2 B 15 15 THR HA H 113 4.284 4.038 0.246 1 1 981 . 17 2 2 B 15 15 THR C C 113 174.413 175.071 -0.658 1 1 982 . 17 2 2 B 15 15 THR CA C 113 62.187 62.894 -0.707 1 1 983 . 17 2 2 B 15 15 THR CB C 113 70.341 66.497 3.844 1 1 985 . 17 2 2 B 15 15 THR N N 113 116.126 113.088 3.038 1 1 986 . 17 2 2 B 16 16 GLU H H 114 8.253 7.867 0.386 1 1 987 . 17 2 2 B 16 16 GLU HA H 114 4.256 4.258 -0.002 1 1 992 . 17 2 2 B 16 16 GLU C C 114 176.766 176.989 -0.223 1 1 993 . 17 2 2 B 16 16 GLU CA C 114 57.410 57.589 -0.179 1 1 994 . 17 2 2 B 16 16 GLU CB C 114 30.620 27.986 2.634 1 1 996 . 17 2 2 B 16 16 GLU N N 114 123.052 122.025 1.027 1 1 997 . 17 2 2 B 17 17 GLU H H 115 8.331 8.903 -0.572 1 1 998 . 17 2 2 B 17 17 GLU HA H 115 4.292 4.589 -0.297 1 1 1003 . 17 2 2 B 17 17 GLU C C 115 176.880 175.997 0.883 1 1 1004 . 17 2 2 B 17 17 GLU CA C 115 57.410 56.693 0.717 1 1 1005 . 17 2 2 B 17 17 GLU CB C 115 30.525 31.563 -1.038 1 1 1007 . 17 2 2 B 17 17 GLU N N 115 121.688 117.074 4.614 1 1 1008 . 17 2 2 B 18 18 MET H H 116 8.317 7.443 0.874 1 1 1009 . 17 2 2 B 18 18 MET HA H 116 4.490 5.101 -0.611 1 1 1014 . 17 2 2 B 18 18 MET C C 116 177.086 175.459 1.627 1 1 1015 . 17 2 2 B 18 18 MET CA C 116 56.279 54.254 2.025 1 1 1016 . 17 2 2 B 18 18 MET CB C 116 33.026 36.231 -3.205 1 1 1017 . 17 2 2 B 18 18 MET N N 116 121.270 118.294 2.976 1 1 1018 . 17 2 2 B 19 19 GLY H H 117 8.320 8.435 -0.115 1 1 1019 . 17 2 2 B 19 19 GLY HA2 H 117 4.054 4.113 -0.059 1 1 1020 . 17 2 2 B 19 19 GLY HA3 H 117 4.054 4.123 -0.069 1 1 1021 . 17 2 2 B 19 19 GLY C C 117 174.481 172.355 2.126 1 1 1022 . 17 2 2 B 19 19 GLY CA C 117 45.847 45.812 0.035 1 1 1023 . 17 2 2 B 19 19 GLY N N 117 110.055 109.667 0.388 1 1 1024 . 17 2 2 B 20 20 SER H H 118 8.230 8.810 -0.580 1 1 1025 . 17 2 2 B 20 20 SER HA H 118 4.476 5.056 -0.580 1 1 1028 . 17 2 2 B 20 20 SER C C 118 175.327 174.249 1.078 1 1 1029 . 17 2 2 B 20 20 SER CA C 118 58.919 57.653 1.266 1 1 1030 . 17 2 2 B 20 20 SER CB C 118 64.575 65.783 -1.208 1 1 1031 . 17 2 2 B 20 20 SER N N 118 115.664 115.330 0.334 1 1 1032 . 17 2 2 B 21 21 GLY H H 119 8.371 8.541 -0.170 1 1 1033 . 17 2 2 B 21 21 GLY HA2 H 119 3.951 4.293 -0.342 1 1 1034 . 17 2 2 B 21 21 GLY HA3 H 119 3.951 4.294 -0.343 1 1 1035 . 17 2 2 B 21 21 GLY C C 119 174.002 171.520 2.482 1 1 1036 . 17 2 2 B 21 21 GLY CA C 119 45.721 45.589 0.132 1 1 1037 . 17 2 2 B 21 21 GLY N N 119 110.872 106.979 3.893 1 1 1068 . 17 2 2 B 25 25 SER H H 123 8.155 8.255 -0.100 1 1 1069 . 17 2 2 B 25 25 SER HA H 123 4.404 4.104 0.300 1 1 1072 . 17 2 2 B 25 25 SER C C 123 175.075 173.340 1.735 1 1 1073 . 17 2 2 B 25 25 SER CA C 123 59.347 59.627 -0.280 1 1 1074 . 17 2 2 B 25 25 SER CB C 123 63.879 62.765 1.114 1 1 1075 . 17 2 2 B 25 25 SER N N 123 116.126 113.957 2.169 1 1 1076 . 17 2 2 B 26 26 MET H H 124 8.221 7.618 0.603 1 1 1077 . 17 2 2 B 26 26 MET HA H 124 4.482 4.759 -0.277 1 1 1082 . 17 2 2 B 26 26 MET C C 124 176.355 174.601 1.754 1 1 1083 . 17 2 2 B 26 26 MET CA C 124 56.279 54.499 1.780 1 1 1084 . 17 2 2 B 26 26 MET CB C 124 32.900 33.371 -0.471 1 1 1086 . 17 2 2 B 26 26 MET N N 124 121.210 119.625 1.585 1 1 1087 . 17 2 2 B 27 27 LYS H H 125 8.036 8.213 -0.177 1 1 1088 . 17 2 2 B 27 27 LYS HA H 125 4.333 4.764 -0.431 1 1 1097 . 17 2 2 B 27 27 LYS C C 125 176.355 174.249 2.106 1 1 1098 . 17 2 2 B 27 27 LYS CA C 125 56.656 55.906 0.750 1 1 1099 . 17 2 2 B 27 27 LYS CB C 125 33.529 36.488 -2.959 1 1 1103 . 17 2 2 B 27 27 LYS N N 125 121.457 123.568 -2.111 1 1 1104 . 17 2 2 B 28 28 GLU H H 126 8.205 8.684 -0.479 1 1 1105 . 17 2 2 B 28 28 GLU N N 126 122.740 124.995 -2.255 1 1 1106 . 17 2 2 B 29 29 PRO HA H 127 4.377 4.595 -0.218 1 1 1113 . 17 2 2 B 29 29 PRO C C 127 176.812 176.734 0.078 1 1 1114 . 17 2 2 B 29 29 PRO CA C 127 63.821 62.565 1.256 1 1 1115 . 17 2 2 B 29 29 PRO CB C 127 32.272 32.880 -0.608 1 1 1118 . 17 2 2 B 30 30 ALA H H 128 8.273 8.323 -0.050 1 1 1119 . 17 2 2 B 30 30 ALA HA H 128 4.287 4.488 -0.201 1 1 1123 . 17 2 2 B 30 30 ALA C C 128 177.589 177.540 0.049 1 1 1124 . 17 2 2 B 30 30 ALA CA C 128 52.873 53.206 -0.333 1 1 1125 . 17 2 2 B 30 30 ALA CB C 128 19.703 18.267 1.436 1 1 1126 . 17 2 2 B 30 30 ALA N N 128 123.577 126.019 -2.442 1 1 1127 . 17 2 2 B 31 31 PHE H H 129 8.019 7.611 0.408 1 1 1128 . 17 2 2 B 31 31 PHE HA H 129 4.621 4.399 0.222 1 1 1135 . 17 2 2 B 31 31 PHE C C 129 175.624 177.134 -1.510 1 1 1136 . 17 2 2 B 31 31 PHE CA C 129 58.039 59.650 -1.611 1 1 1137 . 17 2 2 B 31 31 PHE CB C 129 40.055 38.616 1.439 1 1 1140 . 17 2 2 B 31 31 PHE N N 129 118.994 117.287 1.707 1 1 1141 . 17 2 2 B 32 32 ARG H H 130 8.042 7.395 0.647 1 1 1142 . 17 2 2 B 32 32 ARG HA H 130 4.332 4.368 -0.036 1 1 1149 . 17 2 2 B 32 32 ARG C C 130 175.875 176.233 -0.358 1 1 1150 . 17 2 2 B 32 32 ARG CA C 130 56.154 57.544 -1.390 1 1 1151 . 17 2 2 B 32 32 ARG CB C 130 31.643 31.439 0.204 1 1 1154 . 17 2 2 B 32 32 ARG N N 130 122.929 117.758 5.171 1 1 1155 . 17 2 2 B 33 33 GLU H H 131 8.389 7.657 0.732 1 1 1156 . 17 2 2 B 33 33 GLU HA H 131 4.276 4.698 -0.422 1 1 1161 . 17 2 2 B 33 33 GLU C C 131 176.766 173.989 2.777 1 1 1162 . 17 2 2 B 33 33 GLU CA C 131 57.285 55.887 1.398 1 1 1163 . 17 2 2 B 33 33 GLU CB C 131 30.512 33.569 -3.057 1 1 1165 . 17 2 2 B 33 33 GLU N N 131 122.719 117.017 5.702 1 1 1166 . 17 2 2 B 34 34 GLU H H 132 8.502 8.673 -0.171 1 1 1167 . 17 2 2 B 34 34 GLU HA H 132 4.275 4.564 -0.289 1 1 1172 . 17 2 2 B 34 34 GLU C C 132 176.560 174.534 2.026 1 1 1173 . 17 2 2 B 34 34 GLU CA C 132 57.400 55.514 1.886 1 1 1174 . 17 2 2 B 34 34 GLU CB C 132 30.526 29.892 0.634 1 1 1176 . 17 2 2 B 34 34 GLU N N 132 122.122 125.013 -2.891 1 1 1177 . 17 2 2 B 35 35 ASN H H 133 8.362 8.944 -0.582 1 1 1178 . 17 2 2 B 35 35 ASN HA H 133 4.693 5.128 -0.435 1 1 1181 . 17 2 2 B 35 35 ASN C C 133 175.258 174.207 1.051 1 1 1182 . 17 2 2 B 35 35 ASN CA C 133 53.765 52.011 1.754 1 1 1183 . 17 2 2 B 35 35 ASN CB C 133 39.562 39.193 0.369 1 1 1184 . 17 2 2 B 35 35 ASN N N 133 119.552 125.379 -5.827 1 1 1185 . 17 2 2 B 36 36 ALA H H 134 8.155 8.696 -0.541 1 1 1186 . 17 2 2 B 36 36 ALA HA H 134 4.289 4.980 -0.691 1 1 1190 . 17 2 2 B 36 36 ALA C C 134 177.520 175.737 1.783 1 1 1191 . 17 2 2 B 36 36 ALA CA C 134 52.873 51.182 1.691 1 1 1192 . 17 2 2 B 36 36 ALA CB C 134 19.703 20.249 -0.546 1 1 1193 . 17 2 2 B 36 36 ALA N N 134 124.376 128.502 -4.126 1 1 1194 . 17 2 2 B 37 37 ASN H H 135 8.210 8.944 -0.734 1 1 1195 . 17 2 2 B 37 37 ASN HA H 135 4.694 5.400 -0.706 1 1 1198 . 17 2 2 B 37 37 ASN C C 135 175.144 173.058 2.086 1 1 1199 . 17 2 2 B 37 37 ASN CA C 135 53.640 52.423 1.217 1 1 1200 . 17 2 2 B 37 37 ASN CB C 135 39.311 42.011 -2.700 1 1 1201 . 17 2 2 B 37 37 ASN N N 135 117.103 120.076 -2.973 1 1 1202 . 17 2 2 B 38 38 PHE H H 136 7.997 8.896 -0.899 1 1 1203 . 17 2 2 B 38 38 PHE HA H 136 4.659 5.201 -0.542 1 1 1210 . 17 2 2 B 38 38 PHE C C 136 175.601 173.303 2.298 1 1 1211 . 17 2 2 B 38 38 PHE CA C 136 58.165 56.191 1.974 1 1 1212 . 17 2 2 B 38 38 PHE CB C 136 39.939 40.926 -0.987 1 1 1215 . 17 2 2 B 38 38 PHE N N 136 120.229 121.407 -1.178 1 1 1216 . 17 2 2 B 39 39 ASN H H 137 8.272 9.071 -0.799 1 1 1217 . 17 2 2 B 39 39 ASN HA H 137 4.733 5.344 -0.611 1 1 1220 . 17 2 2 B 39 39 ASN C C 137 174.047 173.661 0.386 1 1 1221 . 17 2 2 B 39 39 ASN CA C 137 53.891 51.469 2.422 1 1 1222 . 17 2 2 B 39 39 ASN CB C 137 39.688 41.129 -1.441 1 1 1223 . 17 2 2 B 39 39 ASN N N 137 120.594 126.360 -5.766 1 1 3 . 18 1 1 A 4 4 PRO HA H 2 4.509 4.819 -0.310 1 1 10 . 18 1 1 A 4 4 PRO C C 2 177.132 176.217 0.915 1 1 11 . 18 1 1 A 4 4 PRO CA C 2 63.529 62.520 1.009 1 1 12 . 18 1 1 A 4 4 PRO CB C 2 32.476 31.785 0.691 1 1 15 . 18 1 1 A 5 5 VAL H H 3 8.201 8.232 -0.031 1 1 16 . 18 1 1 A 5 5 VAL HA H 3 4.152 4.779 -0.627 1 1 24 . 18 1 1 A 5 5 VAL C C 3 176.423 174.472 1.951 1 1 25 . 18 1 1 A 5 5 VAL CA C 3 62.873 59.503 3.370 1 1 26 . 18 1 1 A 5 5 VAL CB C 3 33.455 34.298 -0.843 1 1 28 . 18 1 1 A 5 5 VAL N N 3 120.488 117.313 3.175 1 1 29 . 18 1 1 A 6 6 SER H H 4 8.276 8.922 -0.646 1 1 30 . 18 1 1 A 6 6 SER HA H 4 4.494 4.806 -0.312 1 1 33 . 18 1 1 A 6 6 SER C C 4 174.687 173.462 1.225 1 1 34 . 18 1 1 A 6 6 SER CA C 4 58.375 58.106 0.269 1 1 35 . 18 1 1 A 6 6 SER CB C 4 64.295 63.133 1.162 1 1 36 . 18 1 1 A 6 6 SER N N 4 119.000 123.412 -4.412 1 1 37 . 18 1 1 A 7 7 LEU H H 5 8.238 8.898 -0.660 1 1 38 . 18 1 1 A 7 7 LEU HA H 5 4.406 4.548 -0.142 1 1 44 . 18 1 1 A 7 7 LEU C C 5 177.406 175.715 1.691 1 1 45 . 18 1 1 A 7 7 LEU CA C 5 55.766 54.720 1.046 1 1 46 . 18 1 1 A 7 7 LEU CB C 5 43.132 42.547 0.585 1 1 48 . 18 1 1 A 7 7 LEU N N 5 124.704 129.908 -5.204 1 1 49 . 18 1 1 A 8 8 SER H H 6 8.148 8.602 -0.454 1 1 50 . 18 1 1 A 8 8 SER HA H 6 4.438 4.581 -0.143 1 1 53 . 18 1 1 A 8 8 SER C C 6 174.321 173.995 0.326 1 1 54 . 18 1 1 A 8 8 SER CA C 6 58.718 57.608 1.110 1 1 55 . 18 1 1 A 8 8 SER CB C 6 64.295 63.833 0.462 1 1 56 . 18 1 1 A 8 8 SER N N 6 115.960 119.816 -3.856 1 1 57 . 18 1 1 A 9 9 TYR H H 7 7.954 8.342 -0.388 1 1 58 . 18 1 1 A 9 9 TYR HA H 7 4.585 4.561 0.024 1 1 65 . 18 1 1 A 9 9 TYR C C 7 175.532 176.118 -0.586 1 1 66 . 18 1 1 A 9 9 TYR CA C 7 58.335 58.687 -0.352 1 1 67 . 18 1 1 A 9 9 TYR CB C 7 39.474 37.992 1.482 1 1 70 . 18 1 1 A 9 9 TYR N N 7 121.884 124.090 -2.206 1 1 71 . 18 1 1 A 10 10 ARG H H 8 8.117 8.395 -0.278 1 1 72 . 18 1 1 A 10 10 ARG HA H 8 4.349 4.870 -0.521 1 1 79 . 18 1 1 A 10 10 ARG C C 8 175.898 174.811 1.087 1 1 80 . 18 1 1 A 10 10 ARG CA C 8 56.048 53.807 2.241 1 1 81 . 18 1 1 A 10 10 ARG CB C 8 31.492 34.418 -2.926 1 1 84 . 18 1 1 A 10 10 ARG N N 8 121.977 122.754 -0.777 1 1 85 . 18 1 1 A 11 11 CYS H H 9 8.127 8.745 -0.618 1 1 86 . 18 1 1 A 11 11 CYS HA H 9 4.984 5.345 -0.361 1 1 89 . 18 1 1 A 11 11 CYS C C 9 177.771 173.849 3.922 1 1 90 . 18 1 1 A 11 11 CYS CA C 9 53.192 54.955 -1.763 1 1 91 . 18 1 1 A 11 11 CYS CB C 9 40.897 42.545 -1.648 1 1 92 . 18 1 1 A 11 11 CYS N N 9 121.209 120.114 1.095 1 1 93 . 18 1 1 A 12 12 PRO HA H 10 4.321 4.403 -0.082 1 1 100 . 18 1 1 A 12 12 PRO CA C 10 65.478 64.130 1.348 1 1 101 . 18 1 1 A 12 12 PRO CB C 10 32.904 31.682 1.222 1 1 104 . 18 1 1 A 13 13 CYS H H 11 8.633 7.577 1.056 1 1 105 . 18 1 1 A 13 13 CYS C C 11 174.618 173.390 1.228 1 1 106 . 18 1 1 A 13 13 CYS N N 11 114.595 114.966 -0.371 1 1 107 . 18 1 1 A 14 14 ARG H H 12 8.236 8.623 -0.387 1 1 108 . 18 1 1 A 14 14 ARG HA H 12 4.067 4.156 -0.089 1 1 115 . 18 1 1 A 14 14 ARG C C 12 175.098 176.076 -0.978 1 1 116 . 18 1 1 A 14 14 ARG CA C 12 57.370 57.359 0.011 1 1 117 . 18 1 1 A 14 14 ARG CB C 12 31.631 30.791 0.840 1 1 120 . 18 1 1 A 14 14 ARG N N 12 122.779 125.122 -2.343 1 1 121 . 18 1 1 A 15 15 PHE H H 13 7.615 7.666 -0.051 1 1 122 . 18 1 1 A 15 15 PHE HA H 13 4.510 4.897 -0.387 1 1 129 . 18 1 1 A 15 15 PHE C C 13 174.162 174.870 -0.708 1 1 130 . 18 1 1 A 15 15 PHE CA C 13 56.289 56.257 0.032 1 1 131 . 18 1 1 A 15 15 PHE CB C 13 41.320 43.157 -1.837 1 1 134 . 18 1 1 A 15 15 PHE N N 13 116.797 114.817 1.980 1 1 135 . 18 1 1 A 16 16 PHE H H 14 8.125 8.310 -0.185 1 1 136 . 18 1 1 A 16 16 PHE HA H 14 4.767 5.728 -0.961 1 1 143 . 18 1 1 A 16 16 PHE C C 14 175.441 173.778 1.663 1 1 144 . 18 1 1 A 16 16 PHE CA C 14 55.767 55.227 0.540 1 1 145 . 18 1 1 A 16 16 PHE CB C 14 41.320 42.778 -1.458 1 1 148 . 18 1 1 A 16 16 PHE N N 14 118.930 118.182 0.748 1 1 149 . 18 1 1 A 17 17 GLU H H 15 8.836 9.676 -0.840 1 1 150 . 18 1 1 A 17 17 GLU HA H 15 4.579 4.479 0.100 1 1 155 . 18 1 1 A 17 17 GLU C C 15 176.857 176.951 -0.094 1 1 156 . 18 1 1 A 17 17 GLU CA C 15 56.289 56.568 -0.279 1 1 157 . 18 1 1 A 17 17 GLU CB C 15 31.173 30.588 0.585 1 1 159 . 18 1 1 A 17 17 GLU N N 15 122.929 121.107 1.822 1 1 160 . 18 1 1 A 18 18 SER H H 16 8.751 8.718 0.033 1 1 161 . 18 1 1 A 18 18 SER HA H 16 4.762 4.677 0.085 1 1 164 . 18 1 1 A 18 18 SER C C 16 177.497 174.707 2.790 1 1 165 . 18 1 1 A 18 18 SER CA C 16 59.328 58.746 0.582 1 1 166 . 18 1 1 A 18 18 SER CB C 16 64.515 64.667 -0.152 1 1 167 . 18 1 1 A 18 18 SER N N 16 118.860 114.560 4.300 1 1 168 . 18 1 1 A 19 19 HIS H H 17 8.761 8.253 0.508 1 1 169 . 18 1 1 A 19 19 HIS HA H 17 4.859 4.760 0.099 1 1 174 . 18 1 1 A 19 19 HIS C C 17 174.618 173.811 0.807 1 1 175 . 18 1 1 A 19 19 HIS CA C 17 56.449 54.974 1.475 1 1 176 . 18 1 1 A 19 19 HIS CB C 17 29.870 27.929 1.941 1 1 179 . 18 1 1 A 19 19 HIS N N 17 120.535 119.982 0.553 1 1 180 . 18 1 1 A 20 20 VAL H H 18 7.157 8.235 -1.078 1 1 181 . 18 1 1 A 20 20 VAL HA H 18 4.181 4.706 -0.525 1 1 189 . 18 1 1 A 20 20 VAL C C 18 174.436 173.824 0.612 1 1 190 . 18 1 1 A 20 20 VAL CA C 18 62.167 60.595 1.572 1 1 191 . 18 1 1 A 20 20 VAL CB C 18 34.426 35.922 -1.496 1 1 193 . 18 1 1 A 20 20 VAL N N 18 120.872 123.102 -2.230 1 1 194 . 18 1 1 A 21 21 ALA H H 19 8.521 8.499 0.022 1 1 195 . 18 1 1 A 21 21 ALA HA H 19 4.372 4.316 0.056 1 1 199 . 18 1 1 A 21 21 ALA C C 19 177.657 177.770 -0.113 1 1 200 . 18 1 1 A 21 21 ALA CA C 19 51.193 51.031 0.162 1 1 201 . 18 1 1 A 21 21 ALA CB C 19 19.790 19.779 0.011 1 1 202 . 18 1 1 A 21 21 ALA N N 19 131.339 128.840 2.499 1 1 203 . 18 1 1 A 22 22 ARG H H 20 7.790 7.995 -0.205 1 1 204 . 18 1 1 A 22 22 ARG HA H 20 2.445 2.851 -0.406 1 1 211 . 18 1 1 A 22 22 ARG C C 20 178.365 177.019 1.346 1 1 212 . 18 1 1 A 22 22 ARG CA C 20 59.379 57.659 1.720 1 1 213 . 18 1 1 A 22 22 ARG CB C 20 29.572 29.465 0.107 1 1 216 . 18 1 1 A 22 22 ARG N N 20 124.365 122.761 1.604 1 1 217 . 18 1 1 A 23 23 ALA H H 21 8.120 7.328 0.792 1 1 218 . 18 1 1 A 23 23 ALA HA H 21 4.060 4.120 -0.060 1 1 222 . 18 1 1 A 23 23 ALA C C 21 178.000 177.734 0.266 1 1 223 . 18 1 1 A 23 23 ALA CA C 21 54.100 53.287 0.813 1 1 224 . 18 1 1 A 23 23 ALA CB C 21 18.713 18.548 0.165 1 1 225 . 18 1 1 A 23 23 ALA N N 21 117.156 121.326 -4.170 1 1 226 . 18 1 1 A 24 24 ASN H H 22 7.717 7.867 -0.150 1 1 227 . 18 1 1 A 24 24 ASN HA H 22 5.010 4.794 0.216 1 1 232 . 18 1 1 A 24 24 ASN C C 22 174.938 174.673 0.265 1 1 233 . 18 1 1 A 24 24 ASN CA C 22 52.869 52.392 0.477 1 1 234 . 18 1 1 A 24 24 ASN CB C 22 40.573 38.885 1.688 1 1 235 . 18 1 1 A 24 24 ASN N N 22 112.819 115.141 -2.322 1 1 237 . 18 1 1 A 25 25 VAL H H 23 7.489 7.327 0.162 1 1 238 . 18 1 1 A 25 25 VAL HA H 23 4.888 4.513 0.375 1 1 246 . 18 1 1 A 25 25 VAL C C 23 175.829 175.421 0.408 1 1 247 . 18 1 1 A 25 25 VAL CA C 23 59.870 59.246 0.624 1 1 248 . 18 1 1 A 25 25 VAL CB C 23 35.396 34.517 0.879 1 1 251 . 18 1 1 A 25 25 VAL N N 23 119.721 117.020 2.701 1 1 252 . 18 1 1 A 26 26 LYS H H 24 9.479 9.444 0.035 1 1 253 . 18 1 1 A 26 26 LYS HA H 24 4.353 4.330 0.023 1 1 262 . 18 1 1 A 26 26 LYS C C 24 176.606 176.569 0.037 1 1 263 . 18 1 1 A 26 26 LYS CA C 24 58.977 57.465 1.512 1 1 264 . 18 1 1 A 26 26 LYS CB C 24 34.567 32.913 1.654 1 1 268 . 18 1 1 A 26 26 LYS N N 24 127.843 121.583 6.260 1 1 269 . 18 1 1 A 27 27 HIS H H 25 7.237 7.571 -0.334 1 1 270 . 18 1 1 A 27 27 HIS HA H 25 4.979 4.930 0.049 1 1 275 . 18 1 1 A 27 27 HIS C C 25 178.434 172.458 5.976 1 1 276 . 18 1 1 A 27 27 HIS CA C 25 55.406 54.858 0.548 1 1 277 . 18 1 1 A 27 27 HIS CB C 25 32.480 31.344 1.136 1 1 280 . 18 1 1 A 27 27 HIS N N 25 109.556 114.162 -4.606 1 1 281 . 18 1 1 A 28 28 LEU H H 26 8.189 8.888 -0.699 1 1 282 . 18 1 1 A 28 28 LEU HA H 26 5.190 5.275 -0.085 1 1 292 . 18 1 1 A 28 28 LEU C C 26 175.510 175.558 -0.048 1 1 293 . 18 1 1 A 28 28 LEU CA C 26 53.480 53.542 -0.062 1 1 294 . 18 1 1 A 28 28 LEU CB C 26 45.235 45.295 -0.060 1 1 298 . 18 1 1 A 28 28 LEU N N 26 117.260 119.480 -2.220 1 1 299 . 18 1 1 A 29 29 LYS H H 27 9.572 8.978 0.594 1 1 300 . 18 1 1 A 29 29 LYS HA H 27 5.372 5.258 0.114 1 1 309 . 18 1 1 A 29 29 LYS C C 27 174.801 174.493 0.308 1 1 310 . 18 1 1 A 29 29 LYS CA C 27 55.165 54.820 0.345 1 1 311 . 18 1 1 A 29 29 LYS CB C 27 35.253 35.719 -0.466 1 1 315 . 18 1 1 A 29 29 LYS N N 27 123.488 123.086 0.402 1 1 316 . 18 1 1 A 30 30 ILE H H 28 9.136 8.988 0.148 1 1 317 . 18 1 1 A 30 30 ILE HA H 28 4.926 5.034 -0.108 1 1 327 . 18 1 1 A 30 30 ILE C C 28 176.949 175.097 1.852 1 1 328 . 18 1 1 A 30 30 ILE CA C 28 60.542 59.580 0.962 1 1 329 . 18 1 1 A 30 30 ILE CB C 28 39.600 40.826 -1.226 1 1 333 . 18 1 1 A 30 30 ILE N N 28 123.846 127.430 -3.584 1 1 334 . 18 1 1 A 31 31 LEU H H 29 8.830 9.091 -0.261 1 1 335 . 18 1 1 A 31 31 LEU HA H 29 4.535 4.969 -0.434 1 1 344 . 18 1 1 A 31 31 LEU C C 29 176.012 175.302 0.710 1 1 345 . 18 1 1 A 31 31 LEU CA C 29 55.366 53.666 1.700 1 1 346 . 18 1 1 A 31 31 LEU CB C 29 43.180 46.247 -3.067 1 1 349 . 18 1 1 A 31 31 LEU N N 29 128.649 126.689 1.960 1 1 350 . 18 1 1 A 32 32 ASN H H 30 8.216 8.849 -0.633 1 1 351 . 18 1 1 A 32 32 ASN HA H 30 5.013 5.308 -0.295 1 1 356 . 18 1 1 A 32 32 ASN C C 30 174.664 174.605 0.059 1 1 357 . 18 1 1 A 32 32 ASN CA C 30 52.517 51.865 0.652 1 1 358 . 18 1 1 A 32 32 ASN CB C 30 38.776 40.448 -1.672 1 1 359 . 18 1 1 A 32 32 ASN N N 30 120.791 122.544 -1.753 1 1 361 . 18 1 1 A 33 33 THR H H 31 7.883 8.838 -0.955 1 1 362 . 18 1 1 A 33 33 THR HA H 31 4.842 4.766 0.076 1 1 367 . 18 1 1 A 33 33 THR CA C 31 58.369 60.273 -1.904 1 1 368 . 18 1 1 A 33 33 THR CB C 31 70.018 68.843 1.175 1 1 370 . 18 1 1 A 33 33 THR N N 31 115.811 117.830 -2.019 1 1 371 . 18 1 1 A 34 34 PRO HA H 32 4.317 4.331 -0.014 1 1 378 . 18 1 1 A 34 34 PRO CA C 32 65.164 63.954 1.210 1 1 379 . 18 1 1 A 34 34 PRO CB C 32 32.484 31.738 0.746 1 1 382 . 18 1 1 A 35 35 ASN H H 33 8.254 8.959 -0.705 1 1 383 . 18 1 1 A 35 35 ASN HA H 33 4.651 4.513 0.138 1 1 388 . 18 1 1 A 35 35 ASN C C 33 174.710 173.857 0.853 1 1 389 . 18 1 1 A 35 35 ASN CA C 33 54.532 54.724 -0.192 1 1 390 . 18 1 1 A 35 35 ASN CB C 33 39.167 37.801 1.366 1 1 391 . 18 1 1 A 35 35 ASN N N 33 120.081 119.707 0.374 1 1 393 . 18 1 1 A 36 36 CYS H H 34 7.548 7.538 0.010 1 1 394 . 18 1 1 A 36 36 CYS HA H 34 4.694 5.041 -0.347 1 1 397 . 18 1 1 A 36 36 CYS C C 34 173.865 173.474 0.391 1 1 398 . 18 1 1 A 36 36 CYS CA C 34 55.447 54.679 0.768 1 1 399 . 18 1 1 A 36 36 CYS CB C 34 45.228 47.062 -1.834 1 1 400 . 18 1 1 A 36 36 CYS N N 34 117.076 117.415 -0.339 1 1 401 . 18 1 1 A 37 37 ALA H H 35 8.472 8.453 0.019 1 1 402 . 18 1 1 A 37 37 ALA HA H 35 4.236 4.422 -0.186 1 1 406 . 18 1 1 A 37 37 ALA C C 35 176.423 176.784 -0.361 1 1 407 . 18 1 1 A 37 37 ALA CA C 35 53.537 51.859 1.678 1 1 408 . 18 1 1 A 37 37 ALA CB C 35 19.202 20.208 -1.006 1 1 409 . 18 1 1 A 37 37 ALA N N 35 125.153 124.886 0.267 1 1 410 . 18 1 1 A 38 38 CYS H H 36 8.316 8.548 -0.232 1 1 411 . 18 1 1 A 38 38 CYS HA H 36 4.196 5.082 -0.886 1 1 414 . 18 1 1 A 38 38 CYS C C 36 173.705 173.955 -0.250 1 1 415 . 18 1 1 A 38 38 CYS CA C 36 58.616 57.379 1.237 1 1 416 . 18 1 1 A 38 38 CYS CB C 36 45.705 29.655 16.050 1 1 417 . 18 1 1 A 38 38 CYS N N 36 118.837 118.000 0.837 1 1 418 . 18 1 1 A 39 39 GLN H H 37 8.921 8.446 0.475 1 1 419 . 18 1 1 A 39 39 GLN HA H 37 4.609 4.782 -0.173 1 1 426 . 18 1 1 A 39 39 GLN C C 37 173.636 174.203 -0.567 1 1 427 . 18 1 1 A 39 39 GLN CA C 37 54.603 54.280 0.323 1 1 428 . 18 1 1 A 39 39 GLN CB C 37 31.761 33.125 -1.364 1 1 430 . 18 1 1 A 39 39 GLN N N 37 128.567 125.210 3.357 1 1 432 . 18 1 1 A 40 40 ILE H H 38 8.893 8.368 0.525 1 1 433 . 18 1 1 A 40 40 ILE HA H 38 5.068 5.152 -0.084 1 1 443 . 18 1 1 A 40 40 ILE C C 38 174.390 174.770 -0.380 1 1 444 . 18 1 1 A 40 40 ILE CA C 38 60.582 59.820 0.762 1 1 445 . 18 1 1 A 40 40 ILE CB C 38 40.048 40.489 -0.441 1 1 449 . 18 1 1 A 40 40 ILE N N 38 123.962 122.844 1.118 1 1 450 . 18 1 1 A 41 41 VAL H H 39 9.120 9.588 -0.468 1 1 451 . 18 1 1 A 41 41 VAL HA H 39 4.845 5.011 -0.166 1 1 459 . 18 1 1 A 41 41 VAL C C 39 175.487 175.106 0.381 1 1 460 . 18 1 1 A 41 41 VAL CA C 39 59.980 60.956 -0.976 1 1 461 . 18 1 1 A 41 41 VAL CB C 39 35.868 34.441 1.427 1 1 464 . 18 1 1 A 41 41 VAL N N 39 126.354 126.553 -0.199 1 1 465 . 18 1 1 A 42 42 ALA H H 40 9.513 9.273 0.240 1 1 466 . 18 1 1 A 42 42 ALA HA H 40 5.154 5.269 -0.115 1 1 470 . 18 1 1 A 42 42 ALA C C 40 175.944 175.690 0.254 1 1 471 . 18 1 1 A 42 42 ALA CA C 40 50.591 50.357 0.234 1 1 472 . 18 1 1 A 42 42 ALA CB C 40 22.432 23.201 -0.769 1 1 473 . 18 1 1 A 42 42 ALA N N 40 128.406 128.404 0.002 1 1 474 . 18 1 1 A 43 43 ARG H H 41 7.717 8.308 -0.591 1 1 475 . 18 1 1 A 43 43 ARG HA H 41 4.979 4.662 0.317 1 1 482 . 18 1 1 A 43 43 ARG C C 41 175.510 176.233 -0.723 1 1 483 . 18 1 1 A 43 43 ARG CA C 41 54.162 55.490 -1.328 1 1 484 . 18 1 1 A 43 43 ARG CB C 41 31.200 31.553 -0.353 1 1 487 . 18 1 1 A 43 43 ARG N N 41 121.663 121.119 0.544 1 1 488 . 18 1 1 A 44 44 LEU H H 42 9.163 8.851 0.312 1 1 489 . 18 1 1 A 44 44 LEU HA H 42 5.033 4.336 0.697 1 1 499 . 18 1 1 A 44 44 LEU C C 42 177.840 177.559 0.281 1 1 500 . 18 1 1 A 44 44 LEU CA C 42 54.724 55.115 -0.391 1 1 501 . 18 1 1 A 44 44 LEU CB C 42 41.712 42.166 -0.454 1 1 505 . 18 1 1 A 44 44 LEU N N 42 129.087 123.803 5.284 1 1 506 . 18 1 1 A 45 45 LYS H H 43 8.417 8.503 -0.086 1 1 507 . 18 1 1 A 45 45 LYS HA H 43 3.950 4.157 -0.207 1 1 516 . 18 1 1 A 45 45 LYS CA C 43 59.016 56.408 2.608 1 1 517 . 18 1 1 A 45 45 LYS CB C 43 34.102 33.227 0.875 1 1 520 . 18 1 1 A 45 45 LYS N N 43 119.674 122.074 -2.400 1 1 521 . 18 1 1 A 48 48 ASN HA H 46 4.723 5.116 -0.393 1 1 526 . 18 1 1 A 48 48 ASN C C 46 175.098 174.020 1.078 1 1 527 . 18 1 1 A 48 48 ASN CA C 46 54.764 51.733 3.031 1 1 528 . 18 1 1 A 48 48 ASN CB C 46 39.265 41.124 -1.859 1 1 530 . 18 1 1 A 49 49 ARG H H 47 7.919 8.679 -0.760 1 1 531 . 18 1 1 A 49 49 ARG HA H 47 4.353 5.072 -0.719 1 1 538 . 18 1 1 A 49 49 ARG C C 47 175.601 174.720 0.881 1 1 539 . 18 1 1 A 49 49 ARG CA C 47 57.051 53.872 3.179 1 1 540 . 18 1 1 A 49 49 ARG CB C 47 32.121 32.578 -0.457 1 1 543 . 18 1 1 A 49 49 ARG N N 47 119.826 117.818 2.008 1 1 544 . 18 1 1 A 50 50 GLN H H 48 8.547 8.732 -0.185 1 1 545 . 18 1 1 A 50 50 GLN HA H 48 5.456 5.205 0.251 1 1 552 . 18 1 1 A 50 50 GLN C C 48 175.578 174.963 0.615 1 1 553 . 18 1 1 A 50 50 GLN CA C 48 55.125 54.237 0.888 1 1 554 . 18 1 1 A 50 50 GLN CB C 48 32.121 32.000 0.121 1 1 556 . 18 1 1 A 50 50 GLN N N 48 120.767 115.795 4.972 1 1 558 . 18 1 1 A 51 51 VAL H H 49 8.630 9.039 -0.409 1 1 559 . 18 1 1 A 51 51 VAL HA H 49 4.826 4.820 0.006 1 1 567 . 18 1 1 A 51 51 VAL C C 49 175.258 174.585 0.673 1 1 568 . 18 1 1 A 51 51 VAL CA C 49 59.338 59.296 0.042 1 1 569 . 18 1 1 A 51 51 VAL CB C 49 36.155 34.973 1.182 1 1 572 . 18 1 1 A 51 51 VAL N N 49 116.678 117.168 -0.490 1 1 573 . 18 1 1 A 52 52 CYS H H 50 9.100 8.620 0.480 1 1 574 . 18 1 1 A 52 52 CYS HA H 50 5.301 5.415 -0.114 1 1 577 . 18 1 1 A 52 52 CYS C C 50 174.527 173.105 1.422 1 1 578 . 18 1 1 A 52 52 CYS CA C 50 58.054 54.900 3.154 1 1 579 . 18 1 1 A 52 52 CYS CB C 50 43.375 43.839 -0.464 1 1 580 . 18 1 1 A 52 52 CYS N N 50 124.549 119.991 4.558 1 1 581 . 18 1 1 A 53 53 ILE H H 51 8.485 9.573 -1.088 1 1 582 . 18 1 1 A 53 53 ILE HA H 51 4.964 4.662 0.302 1 1 592 . 18 1 1 A 53 53 ILE C C 51 173.019 174.917 -1.898 1 1 593 . 18 1 1 A 53 53 ILE CA C 51 58.897 59.887 -0.990 1 1 594 . 18 1 1 A 53 53 ILE CB C 51 42.201 40.968 1.233 1 1 598 . 18 1 1 A 53 53 ILE N N 51 122.581 125.131 -2.550 1 1 599 . 18 1 1 A 54 54 ASP H H 52 7.661 8.445 -0.784 1 1 600 . 18 1 1 A 54 54 ASP HA H 52 3.642 4.406 -0.764 1 1 603 . 18 1 1 A 54 54 ASP CA C 52 51.574 51.715 -0.141 1 1 604 . 18 1 1 A 54 54 ASP CB C 52 42.515 41.897 0.618 1 1 605 . 18 1 1 A 54 54 ASP N N 52 125.772 126.416 -0.644 1 1 606 . 18 1 1 A 55 55 PRO HA H 53 4.025 4.290 -0.265 1 1 613 . 18 1 1 A 55 55 PRO C C 53 176.126 176.841 -0.715 1 1 614 . 18 1 1 A 55 55 PRO CA C 53 63.993 63.939 0.054 1 1 615 . 18 1 1 A 55 55 PRO CB C 53 33.002 31.542 1.460 1 1 618 . 18 1 1 A 56 56 LYS H H 54 7.931 7.634 0.297 1 1 619 . 18 1 1 A 56 56 LYS HA H 54 3.988 4.379 -0.391 1 1 628 . 18 1 1 A 56 56 LYS C C 54 177.931 176.417 1.514 1 1 629 . 18 1 1 A 56 56 LYS CA C 54 56.770 56.237 0.533 1 1 630 . 18 1 1 A 56 56 LYS CB C 54 32.023 33.221 -1.198 1 1 634 . 18 1 1 A 56 56 LYS N N 54 112.924 115.819 -2.895 1 1 635 . 18 1 1 A 57 57 LEU H H 55 7.162 7.148 0.014 1 1 636 . 18 1 1 A 57 57 LEU HA H 55 4.059 4.142 -0.083 1 1 646 . 18 1 1 A 57 57 LEU C C 55 179.416 177.870 1.546 1 1 647 . 18 1 1 A 57 57 LEU CA C 55 56.088 55.077 1.011 1 1 648 . 18 1 1 A 57 57 LEU CB C 55 42.191 42.353 -0.162 1 1 652 . 18 1 1 A 57 57 LEU N N 55 120.593 121.633 -1.040 1 1 653 . 18 1 1 A 58 58 LYS H H 56 8.720 9.043 -0.323 1 1 654 . 18 1 1 A 58 58 LYS HA H 56 3.920 3.835 0.085 1 1 663 . 18 1 1 A 58 58 LYS C C 56 178.937 178.103 0.834 1 1 664 . 18 1 1 A 58 58 LYS CA C 56 60.301 60.071 0.230 1 1 665 . 18 1 1 A 58 58 LYS CB C 56 32.121 32.425 -0.304 1 1 669 . 18 1 1 A 58 58 LYS N N 56 125.479 124.133 1.346 1 1 670 . 18 1 1 A 59 59 TRP H H 57 7.811 8.437 -0.626 1 1 671 . 18 1 1 A 59 59 TRP HA H 57 4.664 4.498 0.166 1 1 680 . 18 1 1 A 59 59 TRP C C 57 178.868 179.339 -0.471 1 1 681 . 18 1 1 A 59 59 TRP CA C 57 58.897 59.927 -1.030 1 1 682 . 18 1 1 A 59 59 TRP CB C 57 28.036 28.100 -0.064 1 1 688 . 18 1 1 A 59 59 TRP N N 57 113.433 119.390 -5.957 1 1 690 . 18 1 1 A 60 60 ILE H H 58 6.467 7.507 -1.040 1 1 691 . 18 1 1 A 60 60 ILE HA H 58 3.325 3.407 -0.082 1 1 701 . 18 1 1 A 60 60 ILE C C 58 177.726 177.707 0.019 1 1 702 . 18 1 1 A 60 60 ILE CA C 58 64.314 64.336 -0.022 1 1 703 . 18 1 1 A 60 60 ILE CB C 58 35.897 36.510 -0.613 1 1 707 . 18 1 1 A 60 60 ILE N N 58 124.379 122.362 2.017 1 1 708 . 18 1 1 A 61 61 GLN H H 59 7.624 8.685 -1.061 1 1 709 . 18 1 1 A 61 61 GLN HA H 59 3.755 3.876 -0.121 1 1 716 . 18 1 1 A 61 61 GLN C C 59 178.434 178.697 -0.263 1 1 717 . 18 1 1 A 61 61 GLN CA C 59 59.379 59.478 -0.099 1 1 718 . 18 1 1 A 61 61 GLN CB C 59 28.602 28.310 0.292 1 1 720 . 18 1 1 A 61 61 GLN N N 59 119.070 118.479 0.591 1 1 722 . 18 1 1 A 62 62 GLU H H 60 8.064 8.200 -0.136 1 1 723 . 18 1 1 A 62 62 GLU HA H 60 4.087 4.217 -0.130 1 1 728 . 18 1 1 A 62 62 GLU C C 60 179.051 178.507 0.544 1 1 729 . 18 1 1 A 62 62 GLU CA C 60 59.659 59.319 0.340 1 1 730 . 18 1 1 A 62 62 GLU CB C 60 30.457 29.126 1.331 1 1 732 . 18 1 1 A 62 62 GLU N N 60 117.166 118.524 -1.358 1 1 733 . 18 1 1 A 63 63 TYR H H 61 7.924 8.291 -0.367 1 1 734 . 18 1 1 A 63 63 TYR HA H 61 4.254 4.287 -0.033 1 1 741 . 18 1 1 A 63 63 TYR C C 61 178.617 177.474 1.143 1 1 742 . 18 1 1 A 63 63 TYR CA C 61 61.184 61.459 -0.275 1 1 743 . 18 1 1 A 63 63 TYR CB C 61 39.461 38.664 0.797 1 1 746 . 18 1 1 A 63 63 TYR N N 61 121.271 122.421 -1.150 1 1 747 . 18 1 1 A 64 64 LEU H H 62 8.260 9.196 -0.936 1 1 748 . 18 1 1 A 64 64 LEU HA H 62 3.966 3.986 -0.020 1 1 758 . 18 1 1 A 64 64 LEU C C 62 179.553 179.023 0.530 1 1 759 . 18 1 1 A 64 64 LEU CA C 62 58.014 58.095 -0.081 1 1 760 . 18 1 1 A 64 64 LEU CB C 62 42.397 41.474 0.923 1 1 764 . 18 1 1 A 64 64 LEU N N 62 116.299 119.940 -3.641 1 1 765 . 18 1 1 A 65 65 GLU H H 63 8.454 8.433 0.021 1 1 766 . 18 1 1 A 65 65 GLU HA H 63 3.854 3.929 -0.075 1 1 771 . 18 1 1 A 65 65 GLU C C 63 179.279 178.684 0.595 1 1 772 . 18 1 1 A 65 65 GLU CA C 63 60.301 59.825 0.476 1 1 773 . 18 1 1 A 65 65 GLU CB C 63 29.870 29.171 0.699 1 1 775 . 18 1 1 A 65 65 GLU N N 63 118.616 117.527 1.089 1 1 776 . 18 1 1 A 66 66 LYS H H 64 7.575 8.264 -0.689 1 1 777 . 18 1 1 A 66 66 LYS HA H 64 4.225 4.026 0.199 1 1 786 . 18 1 1 A 66 66 LYS C C 64 178.457 178.767 -0.310 1 1 787 . 18 1 1 A 66 66 LYS CA C 64 58.496 59.202 -0.706 1 1 788 . 18 1 1 A 66 66 LYS CB C 64 32.400 32.067 0.333 1 1 792 . 18 1 1 A 66 66 LYS N N 64 117.166 118.349 -1.183 1 1 793 . 18 1 1 A 67 67 CYS H H 65 7.918 8.174 -0.256 1 1 794 . 18 1 1 A 67 67 CYS HA H 65 4.526 4.050 0.476 1 1 797 . 18 1 1 A 67 67 CYS C C 65 174.893 177.009 -2.116 1 1 798 . 18 1 1 A 67 67 CYS CA C 65 56.329 63.607 -7.278 1 1 799 . 18 1 1 A 67 67 CYS CB C 65 45.235 27.191 18.044 1 1 800 . 18 1 1 A 67 67 CYS N N 65 115.330 118.054 -2.724 1 1 801 . 18 1 1 A 68 68 LEU H H 66 7.559 8.233 -0.674 1 1 802 . 18 1 1 A 68 68 LEU HA H 66 4.491 4.034 0.457 1 1 812 . 18 1 1 A 68 68 LEU C C 66 176.812 178.552 -1.740 1 1 813 . 18 1 1 A 68 68 LEU CA C 66 55.366 57.770 -2.404 1 1 814 . 18 1 1 A 68 68 LEU CB C 66 43.278 41.923 1.355 1 1 818 . 18 1 1 A 68 68 LEU N N 66 120.930 122.873 -1.943 1 1 819 . 18 1 1 A 69 69 ASN H H 67 8.265 7.782 0.483 1 1 820 . 18 1 1 A 69 69 ASN HA H 67 4.669 4.661 0.008 1 1 825 . 18 1 1 A 69 69 ASN CA C 67 53.761 55.028 -1.267 1 1 826 . 18 1 1 A 69 69 ASN CB C 67 39.069 39.262 -0.193 1 1 827 . 18 1 1 A 69 69 ASN N N 67 120.279 116.929 3.350 1 1 852 . 18 2 2 B 4 4 GLU H H 102 8.342 7.755 0.587 1 1 853 . 18 2 2 B 4 4 GLU HA H 102 4.282 4.693 -0.411 1 1 858 . 18 2 2 B 4 4 GLU C C 102 177.132 176.817 0.315 1 1 859 . 18 2 2 B 4 4 GLU CA C 102 57.410 55.856 1.554 1 1 861 . 18 2 2 B 4 4 GLU N N 102 121.884 118.452 3.432 1 1 862 . 18 2 2 B 5 5 GLY H H 103 8.331 8.657 -0.326 1 1 863 . 18 2 2 B 5 5 GLY HA2 H 103 3.960 4.160 -0.200 1 1 864 . 18 2 2 B 5 5 GLY HA3 H 103 3.960 4.182 -0.222 1 1 865 . 18 2 2 B 5 5 GLY C C 103 174.207 175.065 -0.858 1 1 866 . 18 2 2 B 5 5 GLY CA C 103 45.731 45.652 0.079 1 1 867 . 18 2 2 B 5 5 GLY N N 103 110.055 113.092 -3.037 1 1 868 . 18 2 2 B 6 6 ILE H H 104 7.831 7.684 0.147 1 1 869 . 18 2 2 B 6 6 ILE HA H 104 4.286 4.201 0.085 1 1 879 . 18 2 2 B 6 6 ILE C C 104 176.401 175.668 0.733 1 1 880 . 18 2 2 B 6 6 ILE CA C 104 61.558 62.846 -1.288 1 1 881 . 18 2 2 B 6 6 ILE CB C 104 39.436 38.211 1.225 1 1 885 . 18 2 2 B 6 6 ILE N N 104 119.606 118.906 0.700 1 1 886 . 18 2 2 B 7 7 SER H H 105 8.350 8.032 0.318 1 1 887 . 18 2 2 B 7 7 SER HA H 105 4.545 4.955 -0.410 1 1 890 . 18 2 2 B 7 7 SER C C 105 174.550 173.461 1.089 1 1 891 . 18 2 2 B 7 7 SER CA C 105 58.667 57.711 0.956 1 1 892 . 18 2 2 B 7 7 SER CB C 105 64.072 63.637 0.435 1 1 893 . 18 2 2 B 7 7 SER N N 105 119.853 112.947 6.906 1 1 894 . 18 2 2 B 8 8 ILE H H 106 7.921 8.611 -0.690 1 1 895 . 18 2 2 B 8 8 ILE HA H 106 4.205 4.988 -0.783 1 1 905 . 18 2 2 B 8 8 ILE C C 106 175.921 174.171 1.750 1 1 906 . 18 2 2 B 8 8 ILE CA C 106 61.935 58.569 3.366 1 1 907 . 18 2 2 B 8 8 ILE CB C 106 39.436 41.181 -1.745 1 1 911 . 18 2 2 B 8 8 ILE N N 106 121.730 118.747 2.983 1 1 912 . 18 2 2 B 9 9 TYR H H 107 8.166 8.322 -0.156 1 1 913 . 18 2 2 B 9 9 TYR HA H 107 4.713 4.607 0.106 1 1 920 . 18 2 2 B 9 9 TYR C C 107 176.058 175.668 0.390 1 1 921 . 18 2 2 B 9 9 TYR CA C 107 58.165 57.670 0.495 1 1 922 . 18 2 2 B 9 9 TYR CB C 107 39.436 38.397 1.039 1 1 925 . 18 2 2 B 9 9 TYR N N 107 123.598 120.657 2.941 1 1 926 . 18 2 2 B 10 10 THR H H 108 7.961 8.678 -0.717 1 1 927 . 18 2 2 B 10 10 THR HA H 108 4.433 4.650 -0.217 1 1 932 . 18 2 2 B 10 10 THR C C 108 174.459 175.058 -0.599 1 1 933 . 18 2 2 B 10 10 THR CA C 108 62.061 61.671 0.390 1 1 934 . 18 2 2 B 10 10 THR CB C 108 70.608 70.031 0.577 1 1 936 . 18 2 2 B 10 10 THR N N 108 115.642 120.991 -5.349 1 1 937 . 18 2 2 B 11 11 SER H H 109 8.211 9.012 -0.801 1 1 938 . 18 2 2 B 11 11 SER HA H 109 4.507 4.138 0.369 1 1 941 . 18 2 2 B 11 11 SER C C 109 174.504 173.909 0.595 1 1 942 . 18 2 2 B 11 11 SER CA C 109 58.919 59.087 -0.168 1 1 943 . 18 2 2 B 11 11 SER CB C 109 64.198 61.631 2.567 1 1 944 . 18 2 2 B 11 11 SER N N 109 117.260 120.455 -3.195 1 1 945 . 18 2 2 B 12 12 ASP H H 110 8.351 8.431 -0.080 1 1 946 . 18 2 2 B 12 12 ASP HA H 110 4.631 4.941 -0.310 1 1 949 . 18 2 2 B 12 12 ASP C C 110 176.058 175.938 0.120 1 1 950 . 18 2 2 B 12 12 ASP CA C 110 55.022 54.200 0.822 1 1 951 . 18 2 2 B 12 12 ASP CB C 110 41.825 40.819 1.006 1 1 952 . 18 2 2 B 12 12 ASP N N 110 122.020 122.734 -0.714 1 1 953 . 18 2 2 B 13 13 ASN H H 111 8.230 8.243 -0.013 1 1 954 . 18 2 2 B 13 13 ASN HA H 111 4.726 4.814 -0.088 1 1 957 . 18 2 2 B 13 13 ASN C C 111 175.030 175.474 -0.444 1 1 958 . 18 2 2 B 13 13 ASN CA C 111 53.765 53.805 -0.040 1 1 959 . 18 2 2 B 13 13 ASN CB C 111 39.562 41.461 -1.899 1 1 960 . 18 2 2 B 13 13 ASN N N 111 118.317 118.364 -0.047 1 1 961 . 18 2 2 B 14 14 TYR H H 112 8.101 8.138 -0.037 1 1 962 . 18 2 2 B 14 14 TYR HA H 112 4.638 4.173 0.465 1 1 969 . 18 2 2 B 14 14 TYR C C 112 176.081 175.723 0.358 1 1 970 . 18 2 2 B 14 14 TYR CA C 112 58.793 61.754 -2.961 1 1 971 . 18 2 2 B 14 14 TYR CB C 112 39.436 38.770 0.666 1 1 974 . 18 2 2 B 14 14 TYR N N 112 120.850 120.934 -0.084 1 1 975 . 18 2 2 B 15 15 THR H H 113 7.879 8.485 -0.606 1 1 976 . 18 2 2 B 15 15 THR HA H 113 4.284 4.079 0.205 1 1 981 . 18 2 2 B 15 15 THR C C 113 174.413 173.496 0.917 1 1 982 . 18 2 2 B 15 15 THR CA C 113 62.187 62.853 -0.666 1 1 983 . 18 2 2 B 15 15 THR CB C 113 70.341 66.431 3.910 1 1 985 . 18 2 2 B 15 15 THR N N 113 116.126 113.093 3.033 1 1 986 . 18 2 2 B 16 16 GLU H H 114 8.253 7.844 0.409 1 1 987 . 18 2 2 B 16 16 GLU HA H 114 4.256 4.743 -0.487 1 1 992 . 18 2 2 B 16 16 GLU C C 114 176.766 175.619 1.147 1 1 993 . 18 2 2 B 16 16 GLU CA C 114 57.410 54.860 2.550 1 1 994 . 18 2 2 B 16 16 GLU CB C 114 30.620 31.805 -1.185 1 1 996 . 18 2 2 B 16 16 GLU N N 114 123.052 121.130 1.922 1 1 997 . 18 2 2 B 17 17 GLU H H 115 8.331 8.996 -0.665 1 1 998 . 18 2 2 B 17 17 GLU HA H 115 4.292 4.725 -0.433 1 1 1003 . 18 2 2 B 17 17 GLU C C 115 176.880 175.799 1.081 1 1 1004 . 18 2 2 B 17 17 GLU CA C 115 57.410 55.969 1.441 1 1 1005 . 18 2 2 B 17 17 GLU CB C 115 30.525 31.486 -0.961 1 1 1007 . 18 2 2 B 17 17 GLU N N 115 121.688 124.025 -2.337 1 1 1008 . 18 2 2 B 18 18 MET H H 116 8.317 7.868 0.449 1 1 1009 . 18 2 2 B 18 18 MET HA H 116 4.490 5.010 -0.520 1 1 1014 . 18 2 2 B 18 18 MET C C 116 177.086 175.258 1.828 1 1 1015 . 18 2 2 B 18 18 MET CA C 116 56.279 54.253 2.026 1 1 1016 . 18 2 2 B 18 18 MET CB C 116 33.026 38.284 -5.258 1 1 1017 . 18 2 2 B 18 18 MET N N 116 121.270 117.912 3.358 1 1 1018 . 18 2 2 B 19 19 GLY H H 117 8.320 8.357 -0.037 1 1 1019 . 18 2 2 B 19 19 GLY HA2 H 117 4.054 4.185 -0.131 1 1 1020 . 18 2 2 B 19 19 GLY HA3 H 117 4.054 4.194 -0.140 1 1 1021 . 18 2 2 B 19 19 GLY C C 117 174.481 172.205 2.276 1 1 1022 . 18 2 2 B 19 19 GLY CA C 117 45.847 45.674 0.173 1 1 1023 . 18 2 2 B 19 19 GLY N N 117 110.055 108.540 1.515 1 1 1024 . 18 2 2 B 20 20 SER H H 118 8.230 8.697 -0.467 1 1 1025 . 18 2 2 B 20 20 SER HA H 118 4.476 4.682 -0.206 1 1 1028 . 18 2 2 B 20 20 SER C C 118 175.327 174.278 1.049 1 1 1029 . 18 2 2 B 20 20 SER CA C 118 58.919 58.912 0.007 1 1 1030 . 18 2 2 B 20 20 SER CB C 118 64.575 64.081 0.494 1 1 1031 . 18 2 2 B 20 20 SER N N 118 115.664 120.859 -5.195 1 1 1032 . 18 2 2 B 21 21 GLY H H 119 8.371 8.524 -0.153 1 1 1033 . 18 2 2 B 21 21 GLY HA2 H 119 3.951 4.268 -0.317 1 1 1034 . 18 2 2 B 21 21 GLY HA3 H 119 3.951 4.270 -0.319 1 1 1035 . 18 2 2 B 21 21 GLY C C 119 174.002 171.900 2.102 1 1 1036 . 18 2 2 B 21 21 GLY CA C 119 45.721 44.684 1.037 1 1 1037 . 18 2 2 B 21 21 GLY N N 119 110.872 110.921 -0.049 1 1 1068 . 18 2 2 B 25 25 SER H H 123 8.155 8.222 -0.067 1 1 1069 . 18 2 2 B 25 25 SER HA H 123 4.404 4.228 0.176 1 1 1072 . 18 2 2 B 25 25 SER C C 123 175.075 173.645 1.430 1 1 1073 . 18 2 2 B 25 25 SER CA C 123 59.347 59.139 0.208 1 1 1074 . 18 2 2 B 25 25 SER CB C 123 63.879 62.558 1.321 1 1 1075 . 18 2 2 B 25 25 SER N N 123 116.126 113.908 2.218 1 1 1076 . 18 2 2 B 26 26 MET H H 124 8.221 8.528 -0.307 1 1 1077 . 18 2 2 B 26 26 MET HA H 124 4.482 4.425 0.057 1 1 1082 . 18 2 2 B 26 26 MET C C 124 176.355 174.973 1.382 1 1 1083 . 18 2 2 B 26 26 MET CA C 124 56.279 56.222 0.057 1 1 1084 . 18 2 2 B 26 26 MET CB C 124 32.900 31.670 1.230 1 1 1086 . 18 2 2 B 26 26 MET N N 124 121.210 121.538 -0.328 1 1 1087 . 18 2 2 B 27 27 LYS H H 125 8.036 8.836 -0.800 1 1 1088 . 18 2 2 B 27 27 LYS HA H 125 4.333 4.991 -0.658 1 1 1097 . 18 2 2 B 27 27 LYS C C 125 176.355 175.177 1.178 1 1 1098 . 18 2 2 B 27 27 LYS CA C 125 56.656 54.397 2.259 1 1 1099 . 18 2 2 B 27 27 LYS CB C 125 33.529 36.202 -2.673 1 1 1103 . 18 2 2 B 27 27 LYS N N 125 121.457 123.468 -2.011 1 1 1104 . 18 2 2 B 28 28 GLU H H 126 8.205 8.964 -0.759 1 1 1105 . 18 2 2 B 28 28 GLU N N 126 122.740 118.250 4.490 1 1 1106 . 18 2 2 B 29 29 PRO HA H 127 4.377 4.450 -0.073 1 1 1113 . 18 2 2 B 29 29 PRO C C 127 176.812 176.578 0.234 1 1 1114 . 18 2 2 B 29 29 PRO CA C 127 63.821 63.450 0.371 1 1 1115 . 18 2 2 B 29 29 PRO CB C 127 32.272 31.855 0.417 1 1 1118 . 18 2 2 B 30 30 ALA H H 128 8.273 8.549 -0.276 1 1 1119 . 18 2 2 B 30 30 ALA HA H 128 4.287 4.545 -0.258 1 1 1123 . 18 2 2 B 30 30 ALA C C 128 177.589 177.302 0.287 1 1 1124 . 18 2 2 B 30 30 ALA CA C 128 52.873 51.354 1.519 1 1 1125 . 18 2 2 B 30 30 ALA CB C 128 19.703 18.905 0.798 1 1 1126 . 18 2 2 B 30 30 ALA N N 128 123.577 125.929 -2.352 1 1 1127 . 18 2 2 B 31 31 PHE H H 129 8.019 7.892 0.127 1 1 1128 . 18 2 2 B 31 31 PHE HA H 129 4.621 4.313 0.308 1 1 1135 . 18 2 2 B 31 31 PHE C C 129 175.624 176.115 -0.491 1 1 1136 . 18 2 2 B 31 31 PHE CA C 129 58.039 58.283 -0.244 1 1 1137 . 18 2 2 B 31 31 PHE CB C 129 40.055 38.931 1.124 1 1 1140 . 18 2 2 B 31 31 PHE N N 129 118.994 121.612 -2.618 1 1 1141 . 18 2 2 B 32 32 ARG H H 130 8.042 8.769 -0.727 1 1 1142 . 18 2 2 B 32 32 ARG HA H 130 4.332 3.692 0.640 1 1 1149 . 18 2 2 B 32 32 ARG C C 130 175.875 175.251 0.624 1 1 1150 . 18 2 2 B 32 32 ARG CA C 130 56.154 57.326 -1.172 1 1 1151 . 18 2 2 B 32 32 ARG CB C 130 31.643 27.363 4.280 1 1 1154 . 18 2 2 B 32 32 ARG N N 130 122.929 121.692 1.237 1 1 1155 . 18 2 2 B 33 33 GLU H H 131 8.389 8.117 0.272 1 1 1156 . 18 2 2 B 33 33 GLU HA H 131 4.276 4.264 0.012 1 1 1161 . 18 2 2 B 33 33 GLU C C 131 176.766 176.621 0.145 1 1 1162 . 18 2 2 B 33 33 GLU CA C 131 57.285 56.307 0.978 1 1 1163 . 18 2 2 B 33 33 GLU CB C 131 30.512 30.180 0.332 1 1 1165 . 18 2 2 B 33 33 GLU N N 131 122.719 118.821 3.898 1 1 1166 . 18 2 2 B 34 34 GLU H H 132 8.502 8.630 -0.128 1 1 1167 . 18 2 2 B 34 34 GLU HA H 132 4.275 4.411 -0.136 1 1 1172 . 18 2 2 B 34 34 GLU C C 132 176.560 175.558 1.002 1 1 1173 . 18 2 2 B 34 34 GLU CA C 132 57.400 55.851 1.549 1 1 1174 . 18 2 2 B 34 34 GLU CB C 132 30.526 28.230 2.296 1 1 1176 . 18 2 2 B 34 34 GLU N N 132 122.122 122.705 -0.583 1 1 1177 . 18 2 2 B 35 35 ASN H H 133 8.362 8.948 -0.586 1 1 1178 . 18 2 2 B 35 35 ASN HA H 133 4.693 4.943 -0.250 1 1 1181 . 18 2 2 B 35 35 ASN C C 133 175.258 175.298 -0.040 1 1 1182 . 18 2 2 B 35 35 ASN CA C 133 53.765 53.179 0.586 1 1 1183 . 18 2 2 B 35 35 ASN CB C 133 39.562 38.918 0.644 1 1 1184 . 18 2 2 B 35 35 ASN N N 133 119.552 124.697 -5.145 1 1 1185 . 18 2 2 B 36 36 ALA H H 134 8.155 8.716 -0.561 1 1 1186 . 18 2 2 B 36 36 ALA HA H 134 4.289 4.335 -0.046 1 1 1190 . 18 2 2 B 36 36 ALA C C 134 177.520 177.092 0.428 1 1 1191 . 18 2 2 B 36 36 ALA CA C 134 52.873 52.319 0.554 1 1 1192 . 18 2 2 B 36 36 ALA CB C 134 19.703 19.049 0.654 1 1 1193 . 18 2 2 B 36 36 ALA N N 134 124.376 128.760 -4.384 1 1 1194 . 18 2 2 B 37 37 ASN H H 135 8.210 8.807 -0.597 1 1 1195 . 18 2 2 B 37 37 ASN HA H 135 4.694 4.506 0.188 1 1 1198 . 18 2 2 B 37 37 ASN C C 135 175.144 174.150 0.994 1 1 1199 . 18 2 2 B 37 37 ASN CA C 135 53.640 54.819 -1.179 1 1 1200 . 18 2 2 B 37 37 ASN CB C 135 39.311 38.696 0.615 1 1 1201 . 18 2 2 B 37 37 ASN N N 135 117.103 119.624 -2.521 1 1 1202 . 18 2 2 B 38 38 PHE H H 136 7.997 8.120 -0.123 1 1 1203 . 18 2 2 B 38 38 PHE HA H 136 4.659 4.843 -0.184 1 1 1210 . 18 2 2 B 38 38 PHE C C 136 175.601 175.575 0.026 1 1 1211 . 18 2 2 B 38 38 PHE CA C 136 58.165 56.583 1.582 1 1 1212 . 18 2 2 B 38 38 PHE CB C 136 39.939 38.143 1.796 1 1 1215 . 18 2 2 B 38 38 PHE N N 136 120.229 115.600 4.629 1 1 1216 . 18 2 2 B 39 39 ASN H H 137 8.272 9.073 -0.801 1 1 1217 . 18 2 2 B 39 39 ASN HA H 137 4.733 4.933 -0.200 1 1 1220 . 18 2 2 B 39 39 ASN C C 137 174.047 174.843 -0.796 1 1 1221 . 18 2 2 B 39 39 ASN CA C 137 53.891 54.013 -0.122 1 1 1222 . 18 2 2 B 39 39 ASN CB C 137 39.688 40.200 -0.512 1 1 1223 . 18 2 2 B 39 39 ASN N N 137 120.594 123.376 -2.782 1 1 3 . 19 1 1 A 4 4 PRO HA H 2 4.509 4.882 -0.373 1 1 10 . 19 1 1 A 4 4 PRO C C 2 177.132 176.558 0.574 1 1 11 . 19 1 1 A 4 4 PRO CA C 2 63.529 62.353 1.176 1 1 12 . 19 1 1 A 4 4 PRO CB C 2 32.476 32.052 0.424 1 1 15 . 19 1 1 A 5 5 VAL H H 3 8.201 8.415 -0.214 1 1 16 . 19 1 1 A 5 5 VAL HA H 3 4.152 5.005 -0.853 1 1 24 . 19 1 1 A 5 5 VAL C C 3 176.423 174.877 1.546 1 1 25 . 19 1 1 A 5 5 VAL CA C 3 62.873 59.360 3.513 1 1 26 . 19 1 1 A 5 5 VAL CB C 3 33.455 35.885 -2.430 1 1 28 . 19 1 1 A 5 5 VAL N N 3 120.488 117.352 3.136 1 1 29 . 19 1 1 A 6 6 SER H H 4 8.276 8.897 -0.621 1 1 30 . 19 1 1 A 6 6 SER HA H 4 4.494 5.093 -0.599 1 1 33 . 19 1 1 A 6 6 SER C C 4 174.687 173.472 1.215 1 1 34 . 19 1 1 A 6 6 SER CA C 4 58.375 56.358 2.017 1 1 35 . 19 1 1 A 6 6 SER CB C 4 64.295 65.592 -1.297 1 1 36 . 19 1 1 A 6 6 SER N N 4 119.000 116.040 2.960 1 1 37 . 19 1 1 A 7 7 LEU H H 5 8.238 8.744 -0.506 1 1 38 . 19 1 1 A 7 7 LEU HA H 5 4.406 4.861 -0.455 1 1 44 . 19 1 1 A 7 7 LEU C C 5 177.406 175.472 1.934 1 1 45 . 19 1 1 A 7 7 LEU CA C 5 55.766 53.138 2.628 1 1 46 . 19 1 1 A 7 7 LEU CB C 5 43.132 41.669 1.463 1 1 48 . 19 1 1 A 7 7 LEU N N 5 124.704 116.768 7.936 1 1 49 . 19 1 1 A 8 8 SER H H 6 8.148 8.449 -0.301 1 1 50 . 19 1 1 A 8 8 SER HA H 6 4.438 4.804 -0.366 1 1 53 . 19 1 1 A 8 8 SER C C 6 174.321 171.738 2.583 1 1 54 . 19 1 1 A 8 8 SER CA C 6 58.718 56.933 1.785 1 1 55 . 19 1 1 A 8 8 SER CB C 6 64.295 67.110 -2.815 1 1 56 . 19 1 1 A 8 8 SER N N 6 115.960 116.990 -1.030 1 1 57 . 19 1 1 A 9 9 TYR H H 7 7.954 8.472 -0.518 1 1 58 . 19 1 1 A 9 9 TYR HA H 7 4.585 5.107 -0.522 1 1 65 . 19 1 1 A 9 9 TYR C C 7 175.532 174.866 0.666 1 1 66 . 19 1 1 A 9 9 TYR CA C 7 58.335 56.667 1.668 1 1 67 . 19 1 1 A 9 9 TYR CB C 7 39.474 40.268 -0.794 1 1 70 . 19 1 1 A 9 9 TYR N N 7 121.884 118.411 3.473 1 1 71 . 19 1 1 A 10 10 ARG H H 8 8.117 8.661 -0.544 1 1 72 . 19 1 1 A 10 10 ARG HA H 8 4.349 4.918 -0.569 1 1 79 . 19 1 1 A 10 10 ARG C C 8 175.898 174.502 1.396 1 1 80 . 19 1 1 A 10 10 ARG CA C 8 56.048 54.030 2.018 1 1 81 . 19 1 1 A 10 10 ARG CB C 8 31.492 34.354 -2.862 1 1 84 . 19 1 1 A 10 10 ARG N N 8 121.977 122.839 -0.862 1 1 85 . 19 1 1 A 11 11 CYS H H 9 8.127 8.769 -0.642 1 1 86 . 19 1 1 A 11 11 CYS HA H 9 4.984 5.040 -0.056 1 1 89 . 19 1 1 A 11 11 CYS C C 9 177.771 173.997 3.774 1 1 90 . 19 1 1 A 11 11 CYS CA C 9 53.192 54.419 -1.227 1 1 91 . 19 1 1 A 11 11 CYS CB C 9 40.897 44.102 -3.205 1 1 92 . 19 1 1 A 11 11 CYS N N 9 121.209 119.720 1.489 1 1 93 . 19 1 1 A 12 12 PRO HA H 10 4.321 4.470 -0.149 1 1 100 . 19 1 1 A 12 12 PRO CA C 10 65.478 64.024 1.454 1 1 101 . 19 1 1 A 12 12 PRO CB C 10 32.904 31.653 1.251 1 1 104 . 19 1 1 A 13 13 CYS H H 11 8.633 7.417 1.216 1 1 105 . 19 1 1 A 13 13 CYS C C 11 174.618 173.855 0.763 1 1 106 . 19 1 1 A 13 13 CYS N N 11 114.595 112.082 2.513 1 1 107 . 19 1 1 A 14 14 ARG H H 12 8.236 8.676 -0.440 1 1 108 . 19 1 1 A 14 14 ARG HA H 12 4.067 4.472 -0.405 1 1 115 . 19 1 1 A 14 14 ARG C C 12 175.098 175.191 -0.093 1 1 116 . 19 1 1 A 14 14 ARG CA C 12 57.370 56.675 0.695 1 1 117 . 19 1 1 A 14 14 ARG CB C 12 31.631 30.795 0.836 1 1 120 . 19 1 1 A 14 14 ARG N N 12 122.779 123.550 -0.771 1 1 121 . 19 1 1 A 15 15 PHE H H 13 7.615 7.702 -0.087 1 1 122 . 19 1 1 A 15 15 PHE HA H 13 4.510 5.100 -0.590 1 1 129 . 19 1 1 A 15 15 PHE C C 13 174.162 174.687 -0.525 1 1 130 . 19 1 1 A 15 15 PHE CA C 13 56.289 56.330 -0.041 1 1 131 . 19 1 1 A 15 15 PHE CB C 13 41.320 43.052 -1.732 1 1 134 . 19 1 1 A 15 15 PHE N N 13 116.797 117.443 -0.646 1 1 135 . 19 1 1 A 16 16 PHE H H 14 8.125 8.670 -0.545 1 1 136 . 19 1 1 A 16 16 PHE HA H 14 4.767 5.601 -0.834 1 1 143 . 19 1 1 A 16 16 PHE C C 14 175.441 173.050 2.391 1 1 144 . 19 1 1 A 16 16 PHE CA C 14 55.767 55.307 0.460 1 1 145 . 19 1 1 A 16 16 PHE CB C 14 41.320 42.482 -1.162 1 1 148 . 19 1 1 A 16 16 PHE N N 14 118.930 118.332 0.598 1 1 149 . 19 1 1 A 17 17 GLU H H 15 8.836 9.635 -0.799 1 1 150 . 19 1 1 A 17 17 GLU HA H 15 4.579 4.448 0.131 1 1 155 . 19 1 1 A 17 17 GLU C C 15 176.857 176.213 0.644 1 1 156 . 19 1 1 A 17 17 GLU CA C 15 56.289 57.134 -0.845 1 1 157 . 19 1 1 A 17 17 GLU CB C 15 31.173 29.984 1.189 1 1 159 . 19 1 1 A 17 17 GLU N N 15 122.929 123.422 -0.493 1 1 160 . 19 1 1 A 18 18 SER H H 16 8.751 8.690 0.061 1 1 161 . 19 1 1 A 18 18 SER HA H 16 4.762 4.756 0.006 1 1 164 . 19 1 1 A 18 18 SER C C 16 177.497 174.811 2.686 1 1 165 . 19 1 1 A 18 18 SER CA C 16 59.328 60.071 -0.743 1 1 166 . 19 1 1 A 18 18 SER CB C 16 64.515 64.460 0.055 1 1 167 . 19 1 1 A 18 18 SER N N 16 118.860 120.782 -1.922 1 1 168 . 19 1 1 A 19 19 HIS H H 17 8.761 7.800 0.961 1 1 169 . 19 1 1 A 19 19 HIS HA H 17 4.859 5.014 -0.155 1 1 174 . 19 1 1 A 19 19 HIS C C 17 174.618 173.945 0.673 1 1 175 . 19 1 1 A 19 19 HIS CA C 17 56.449 54.760 1.689 1 1 176 . 19 1 1 A 19 19 HIS CB C 17 29.870 28.763 1.107 1 1 179 . 19 1 1 A 19 19 HIS N N 17 120.535 117.671 2.864 1 1 180 . 19 1 1 A 20 20 VAL H H 18 7.157 8.745 -1.588 1 1 181 . 19 1 1 A 20 20 VAL HA H 18 4.181 4.620 -0.439 1 1 189 . 19 1 1 A 20 20 VAL C C 18 174.436 173.410 1.026 1 1 190 . 19 1 1 A 20 20 VAL CA C 18 62.167 60.657 1.510 1 1 191 . 19 1 1 A 20 20 VAL CB C 18 34.426 35.861 -1.435 1 1 193 . 19 1 1 A 20 20 VAL N N 18 120.872 123.021 -2.149 1 1 194 . 19 1 1 A 21 21 ALA H H 19 8.521 8.635 -0.114 1 1 195 . 19 1 1 A 21 21 ALA HA H 19 4.372 4.156 0.216 1 1 199 . 19 1 1 A 21 21 ALA C C 19 177.657 177.899 -0.242 1 1 200 . 19 1 1 A 21 21 ALA CA C 19 51.193 52.114 -0.921 1 1 201 . 19 1 1 A 21 21 ALA CB C 19 19.790 19.175 0.615 1 1 202 . 19 1 1 A 21 21 ALA N N 19 131.339 129.158 2.181 1 1 203 . 19 1 1 A 22 22 ARG H H 20 7.790 8.071 -0.281 1 1 204 . 19 1 1 A 22 22 ARG HA H 20 2.445 2.301 0.144 1 1 211 . 19 1 1 A 22 22 ARG C C 20 178.365 177.622 0.743 1 1 212 . 19 1 1 A 22 22 ARG CA C 20 59.379 58.852 0.527 1 1 213 . 19 1 1 A 22 22 ARG CB C 20 29.572 29.253 0.319 1 1 216 . 19 1 1 A 22 22 ARG N N 20 124.365 123.118 1.247 1 1 217 . 19 1 1 A 23 23 ALA H H 21 8.120 7.603 0.517 1 1 218 . 19 1 1 A 23 23 ALA HA H 21 4.060 4.102 -0.042 1 1 222 . 19 1 1 A 23 23 ALA C C 21 178.000 177.963 0.037 1 1 223 . 19 1 1 A 23 23 ALA CA C 21 54.100 53.560 0.540 1 1 224 . 19 1 1 A 23 23 ALA CB C 21 18.713 18.340 0.373 1 1 225 . 19 1 1 A 23 23 ALA N N 21 117.156 120.445 -3.289 1 1 226 . 19 1 1 A 24 24 ASN H H 22 7.717 7.818 -0.101 1 1 227 . 19 1 1 A 24 24 ASN HA H 22 5.010 4.737 0.273 1 1 232 . 19 1 1 A 24 24 ASN C C 22 174.938 174.913 0.025 1 1 233 . 19 1 1 A 24 24 ASN CA C 22 52.869 53.626 -0.757 1 1 234 . 19 1 1 A 24 24 ASN CB C 22 40.573 38.927 1.646 1 1 235 . 19 1 1 A 24 24 ASN N N 22 112.819 115.696 -2.877 1 1 237 . 19 1 1 A 25 25 VAL H H 23 7.489 6.933 0.556 1 1 238 . 19 1 1 A 25 25 VAL HA H 23 4.888 4.426 0.462 1 1 246 . 19 1 1 A 25 25 VAL C C 23 175.829 175.760 0.069 1 1 247 . 19 1 1 A 25 25 VAL CA C 23 59.870 59.688 0.182 1 1 248 . 19 1 1 A 25 25 VAL CB C 23 35.396 34.425 0.971 1 1 251 . 19 1 1 A 25 25 VAL N N 23 119.721 116.826 2.895 1 1 252 . 19 1 1 A 26 26 LYS H H 24 9.479 9.542 -0.063 1 1 253 . 19 1 1 A 26 26 LYS HA H 24 4.353 4.280 0.073 1 1 262 . 19 1 1 A 26 26 LYS C C 24 176.606 176.621 -0.015 1 1 263 . 19 1 1 A 26 26 LYS CA C 24 58.977 58.108 0.869 1 1 264 . 19 1 1 A 26 26 LYS CB C 24 34.567 33.063 1.504 1 1 268 . 19 1 1 A 26 26 LYS N N 24 127.843 121.852 5.991 1 1 269 . 19 1 1 A 27 27 HIS H H 25 7.237 7.546 -0.309 1 1 270 . 19 1 1 A 27 27 HIS HA H 25 4.979 4.807 0.172 1 1 275 . 19 1 1 A 27 27 HIS C C 25 178.434 172.738 5.696 1 1 276 . 19 1 1 A 27 27 HIS CA C 25 55.406 55.064 0.342 1 1 277 . 19 1 1 A 27 27 HIS CB C 25 32.480 31.095 1.385 1 1 280 . 19 1 1 A 27 27 HIS N N 25 109.556 112.996 -3.440 1 1 281 . 19 1 1 A 28 28 LEU H H 26 8.189 8.710 -0.521 1 1 282 . 19 1 1 A 28 28 LEU HA H 26 5.190 5.115 0.075 1 1 292 . 19 1 1 A 28 28 LEU C C 26 175.510 175.991 -0.481 1 1 293 . 19 1 1 A 28 28 LEU CA C 26 53.480 53.413 0.067 1 1 294 . 19 1 1 A 28 28 LEU CB C 26 45.235 45.139 0.096 1 1 298 . 19 1 1 A 28 28 LEU N N 26 117.260 119.394 -2.134 1 1 299 . 19 1 1 A 29 29 LYS H H 27 9.572 9.093 0.479 1 1 300 . 19 1 1 A 29 29 LYS HA H 27 5.372 5.133 0.239 1 1 309 . 19 1 1 A 29 29 LYS C C 27 174.801 175.055 -0.254 1 1 310 . 19 1 1 A 29 29 LYS CA C 27 55.165 54.749 0.416 1 1 311 . 19 1 1 A 29 29 LYS CB C 27 35.253 35.161 0.092 1 1 315 . 19 1 1 A 29 29 LYS N N 27 123.488 120.424 3.064 1 1 316 . 19 1 1 A 30 30 ILE H H 28 9.136 9.074 0.062 1 1 317 . 19 1 1 A 30 30 ILE HA H 28 4.926 5.098 -0.172 1 1 327 . 19 1 1 A 30 30 ILE C C 28 176.949 174.946 2.003 1 1 328 . 19 1 1 A 30 30 ILE CA C 28 60.542 59.657 0.885 1 1 329 . 19 1 1 A 30 30 ILE CB C 28 39.600 39.958 -0.358 1 1 333 . 19 1 1 A 30 30 ILE N N 28 123.846 125.933 -2.087 1 1 334 . 19 1 1 A 31 31 LEU H H 29 8.830 9.329 -0.499 1 1 335 . 19 1 1 A 31 31 LEU HA H 29 4.535 4.979 -0.444 1 1 344 . 19 1 1 A 31 31 LEU C C 29 176.012 174.736 1.276 1 1 345 . 19 1 1 A 31 31 LEU CA C 29 55.366 53.735 1.631 1 1 346 . 19 1 1 A 31 31 LEU CB C 29 43.180 45.483 -2.303 1 1 349 . 19 1 1 A 31 31 LEU N N 29 128.649 124.456 4.193 1 1 350 . 19 1 1 A 32 32 ASN H H 30 8.216 8.841 -0.625 1 1 351 . 19 1 1 A 32 32 ASN HA H 30 5.013 5.210 -0.197 1 1 356 . 19 1 1 A 32 32 ASN C C 30 174.664 174.245 0.419 1 1 357 . 19 1 1 A 32 32 ASN CA C 30 52.517 52.440 0.077 1 1 358 . 19 1 1 A 32 32 ASN CB C 30 38.776 39.297 -0.521 1 1 359 . 19 1 1 A 32 32 ASN N N 30 120.791 118.222 2.569 1 1 361 . 19 1 1 A 33 33 THR H H 31 7.883 8.942 -1.059 1 1 362 . 19 1 1 A 33 33 THR HA H 31 4.842 4.606 0.236 1 1 367 . 19 1 1 A 33 33 THR CA C 31 58.369 60.743 -2.374 1 1 368 . 19 1 1 A 33 33 THR CB C 31 70.018 69.159 0.859 1 1 370 . 19 1 1 A 33 33 THR N N 31 115.811 121.463 -5.652 1 1 371 . 19 1 1 A 34 34 PRO HA H 32 4.317 4.579 -0.262 1 1 378 . 19 1 1 A 34 34 PRO CA C 32 65.164 62.393 2.771 1 1 379 . 19 1 1 A 34 34 PRO CB C 32 32.484 29.852 2.632 1 1 382 . 19 1 1 A 35 35 ASN H H 33 8.254 8.459 -0.205 1 1 383 . 19 1 1 A 35 35 ASN HA H 33 4.651 4.745 -0.094 1 1 388 . 19 1 1 A 35 35 ASN C C 33 174.710 174.171 0.539 1 1 389 . 19 1 1 A 35 35 ASN CA C 33 54.532 53.443 1.089 1 1 390 . 19 1 1 A 35 35 ASN CB C 33 39.167 41.369 -2.202 1 1 391 . 19 1 1 A 35 35 ASN N N 33 120.081 120.515 -0.434 1 1 393 . 19 1 1 A 36 36 CYS H H 34 7.548 8.249 -0.701 1 1 394 . 19 1 1 A 36 36 CYS HA H 34 4.694 4.916 -0.222 1 1 397 . 19 1 1 A 36 36 CYS C C 34 173.865 173.490 0.375 1 1 398 . 19 1 1 A 36 36 CYS CA C 34 55.447 54.667 0.780 1 1 399 . 19 1 1 A 36 36 CYS CB C 34 45.228 46.818 -1.590 1 1 400 . 19 1 1 A 36 36 CYS N N 34 117.076 116.636 0.440 1 1 401 . 19 1 1 A 37 37 ALA H H 35 8.472 8.518 -0.046 1 1 402 . 19 1 1 A 37 37 ALA HA H 35 4.236 4.326 -0.090 1 1 406 . 19 1 1 A 37 37 ALA C C 35 176.423 177.268 -0.845 1 1 407 . 19 1 1 A 37 37 ALA CA C 35 53.537 51.715 1.822 1 1 408 . 19 1 1 A 37 37 ALA CB C 35 19.202 20.079 -0.877 1 1 409 . 19 1 1 A 37 37 ALA N N 35 125.153 124.985 0.168 1 1 410 . 19 1 1 A 38 38 CYS H H 36 8.316 8.413 -0.097 1 1 411 . 19 1 1 A 38 38 CYS HA H 36 4.196 4.327 -0.131 1 1 414 . 19 1 1 A 38 38 CYS C C 36 173.705 174.011 -0.306 1 1 415 . 19 1 1 A 38 38 CYS CA C 36 58.616 60.052 -1.436 1 1 416 . 19 1 1 A 38 38 CYS CB C 36 45.705 27.895 17.810 1 1 417 . 19 1 1 A 38 38 CYS N N 36 118.837 118.071 0.766 1 1 418 . 19 1 1 A 39 39 GLN H H 37 8.921 8.656 0.265 1 1 419 . 19 1 1 A 39 39 GLN HA H 37 4.609 4.713 -0.104 1 1 426 . 19 1 1 A 39 39 GLN C C 37 173.636 173.646 -0.010 1 1 427 . 19 1 1 A 39 39 GLN CA C 37 54.603 54.885 -0.282 1 1 428 . 19 1 1 A 39 39 GLN CB C 37 31.761 32.938 -1.177 1 1 430 . 19 1 1 A 39 39 GLN N N 37 128.567 125.750 2.817 1 1 432 . 19 1 1 A 40 40 ILE H H 38 8.893 8.278 0.615 1 1 433 . 19 1 1 A 40 40 ILE HA H 38 5.068 5.542 -0.474 1 1 443 . 19 1 1 A 40 40 ILE C C 38 174.390 175.300 -0.910 1 1 444 . 19 1 1 A 40 40 ILE CA C 38 60.582 59.873 0.709 1 1 445 . 19 1 1 A 40 40 ILE CB C 38 40.048 41.094 -1.046 1 1 449 . 19 1 1 A 40 40 ILE N N 38 123.962 125.492 -1.530 1 1 450 . 19 1 1 A 41 41 VAL H H 39 9.120 9.011 0.109 1 1 451 . 19 1 1 A 41 41 VAL HA H 39 4.845 4.897 -0.052 1 1 459 . 19 1 1 A 41 41 VAL C C 39 175.487 174.059 1.428 1 1 460 . 19 1 1 A 41 41 VAL CA C 39 59.980 59.403 0.577 1 1 461 . 19 1 1 A 41 41 VAL CB C 39 35.868 34.841 1.027 1 1 464 . 19 1 1 A 41 41 VAL N N 39 126.354 121.640 4.714 1 1 465 . 19 1 1 A 42 42 ALA H H 40 9.513 9.309 0.204 1 1 466 . 19 1 1 A 42 42 ALA HA H 40 5.154 5.087 0.067 1 1 470 . 19 1 1 A 42 42 ALA C C 40 175.944 175.634 0.310 1 1 471 . 19 1 1 A 42 42 ALA CA C 40 50.591 50.214 0.377 1 1 472 . 19 1 1 A 42 42 ALA CB C 40 22.432 23.162 -0.730 1 1 473 . 19 1 1 A 42 42 ALA N N 40 128.406 125.832 2.574 1 1 474 . 19 1 1 A 43 43 ARG H H 41 7.717 8.354 -0.637 1 1 475 . 19 1 1 A 43 43 ARG HA H 41 4.979 4.697 0.282 1 1 482 . 19 1 1 A 43 43 ARG C C 41 175.510 175.653 -0.143 1 1 483 . 19 1 1 A 43 43 ARG CA C 41 54.162 55.403 -1.241 1 1 484 . 19 1 1 A 43 43 ARG CB C 41 31.200 31.661 -0.461 1 1 487 . 19 1 1 A 43 43 ARG N N 41 121.663 121.046 0.617 1 1 488 . 19 1 1 A 44 44 LEU H H 42 9.163 8.086 1.077 1 1 489 . 19 1 1 A 44 44 LEU HA H 42 5.033 4.278 0.755 1 1 499 . 19 1 1 A 44 44 LEU C C 42 177.840 178.326 -0.486 1 1 500 . 19 1 1 A 44 44 LEU CA C 42 54.724 56.056 -1.332 1 1 501 . 19 1 1 A 44 44 LEU CB C 42 41.712 42.544 -0.832 1 1 505 . 19 1 1 A 44 44 LEU N N 42 129.087 127.059 2.028 1 1 506 . 19 1 1 A 45 45 LYS H H 43 8.417 8.596 -0.179 1 1 507 . 19 1 1 A 45 45 LYS HA H 43 3.950 4.083 -0.133 1 1 516 . 19 1 1 A 45 45 LYS CA C 43 59.016 58.414 0.602 1 1 517 . 19 1 1 A 45 45 LYS CB C 43 34.102 32.337 1.765 1 1 520 . 19 1 1 A 45 45 LYS N N 43 119.674 125.709 -6.035 1 1 521 . 19 1 1 A 48 48 ASN HA H 46 4.723 5.033 -0.310 1 1 526 . 19 1 1 A 48 48 ASN C C 46 175.098 173.710 1.388 1 1 527 . 19 1 1 A 48 48 ASN CA C 46 54.764 51.741 3.023 1 1 528 . 19 1 1 A 48 48 ASN CB C 46 39.265 40.757 -1.492 1 1 530 . 19 1 1 A 49 49 ARG H H 47 7.919 8.705 -0.786 1 1 531 . 19 1 1 A 49 49 ARG HA H 47 4.353 5.151 -0.798 1 1 538 . 19 1 1 A 49 49 ARG C C 47 175.601 174.882 0.719 1 1 539 . 19 1 1 A 49 49 ARG CA C 47 57.051 53.973 3.078 1 1 540 . 19 1 1 A 49 49 ARG CB C 47 32.121 33.066 -0.945 1 1 543 . 19 1 1 A 49 49 ARG N N 47 119.826 118.823 1.003 1 1 544 . 19 1 1 A 50 50 GLN H H 48 8.547 8.426 0.121 1 1 545 . 19 1 1 A 50 50 GLN HA H 48 5.456 4.997 0.459 1 1 552 . 19 1 1 A 50 50 GLN C C 48 175.578 175.459 0.119 1 1 553 . 19 1 1 A 50 50 GLN CA C 48 55.125 54.905 0.220 1 1 554 . 19 1 1 A 50 50 GLN CB C 48 32.121 30.718 1.403 1 1 556 . 19 1 1 A 50 50 GLN N N 48 120.767 116.987 3.780 1 1 558 . 19 1 1 A 51 51 VAL H H 49 8.630 8.985 -0.355 1 1 559 . 19 1 1 A 51 51 VAL HA H 49 4.826 4.754 0.072 1 1 567 . 19 1 1 A 51 51 VAL C C 49 175.258 174.495 0.763 1 1 568 . 19 1 1 A 51 51 VAL CA C 49 59.338 59.012 0.326 1 1 569 . 19 1 1 A 51 51 VAL CB C 49 36.155 34.891 1.264 1 1 572 . 19 1 1 A 51 51 VAL N N 49 116.678 116.991 -0.313 1 1 573 . 19 1 1 A 52 52 CYS H H 50 9.100 8.787 0.313 1 1 574 . 19 1 1 A 52 52 CYS HA H 50 5.301 5.116 0.185 1 1 577 . 19 1 1 A 52 52 CYS C C 50 174.527 173.601 0.926 1 1 578 . 19 1 1 A 52 52 CYS CA C 50 58.054 55.509 2.545 1 1 579 . 19 1 1 A 52 52 CYS CB C 50 43.375 42.590 0.785 1 1 580 . 19 1 1 A 52 52 CYS N N 50 124.549 120.763 3.786 1 1 581 . 19 1 1 A 53 53 ILE H H 51 8.485 9.351 -0.866 1 1 582 . 19 1 1 A 53 53 ILE HA H 51 4.964 4.893 0.071 1 1 592 . 19 1 1 A 53 53 ILE C C 51 173.019 174.785 -1.766 1 1 593 . 19 1 1 A 53 53 ILE CA C 51 58.897 59.776 -0.879 1 1 594 . 19 1 1 A 53 53 ILE CB C 51 42.201 41.412 0.789 1 1 598 . 19 1 1 A 53 53 ILE N N 51 122.581 125.596 -3.015 1 1 599 . 19 1 1 A 54 54 ASP H H 52 7.661 8.442 -0.781 1 1 600 . 19 1 1 A 54 54 ASP HA H 52 3.642 4.551 -0.909 1 1 603 . 19 1 1 A 54 54 ASP CA C 52 51.574 51.771 -0.197 1 1 604 . 19 1 1 A 54 54 ASP CB C 52 42.515 42.106 0.409 1 1 605 . 19 1 1 A 54 54 ASP N N 52 125.772 126.094 -0.322 1 1 606 . 19 1 1 A 55 55 PRO HA H 53 4.025 4.301 -0.276 1 1 613 . 19 1 1 A 55 55 PRO C C 53 176.126 176.781 -0.655 1 1 614 . 19 1 1 A 55 55 PRO CA C 53 63.993 64.148 -0.155 1 1 615 . 19 1 1 A 55 55 PRO CB C 53 33.002 31.710 1.292 1 1 618 . 19 1 1 A 56 56 LYS H H 54 7.931 7.731 0.200 1 1 619 . 19 1 1 A 56 56 LYS HA H 54 3.988 4.381 -0.393 1 1 628 . 19 1 1 A 56 56 LYS C C 54 177.931 176.332 1.599 1 1 629 . 19 1 1 A 56 56 LYS CA C 54 56.770 55.895 0.875 1 1 630 . 19 1 1 A 56 56 LYS CB C 54 32.023 32.881 -0.858 1 1 634 . 19 1 1 A 56 56 LYS N N 54 112.924 116.164 -3.240 1 1 635 . 19 1 1 A 57 57 LEU H H 55 7.162 7.182 -0.020 1 1 636 . 19 1 1 A 57 57 LEU HA H 55 4.059 4.151 -0.092 1 1 646 . 19 1 1 A 57 57 LEU C C 55 179.416 178.096 1.320 1 1 647 . 19 1 1 A 57 57 LEU CA C 55 56.088 55.166 0.922 1 1 648 . 19 1 1 A 57 57 LEU CB C 55 42.191 42.206 -0.015 1 1 652 . 19 1 1 A 57 57 LEU N N 55 120.593 121.631 -1.038 1 1 653 . 19 1 1 A 58 58 LYS H H 56 8.720 9.061 -0.341 1 1 654 . 19 1 1 A 58 58 LYS HA H 56 3.920 3.880 0.040 1 1 663 . 19 1 1 A 58 58 LYS C C 56 178.937 178.046 0.891 1 1 664 . 19 1 1 A 58 58 LYS CA C 56 60.301 59.941 0.360 1 1 665 . 19 1 1 A 58 58 LYS CB C 56 32.121 32.392 -0.271 1 1 669 . 19 1 1 A 58 58 LYS N N 56 125.479 124.433 1.046 1 1 670 . 19 1 1 A 59 59 TRP H H 57 7.811 8.396 -0.585 1 1 671 . 19 1 1 A 59 59 TRP HA H 57 4.664 4.523 0.141 1 1 680 . 19 1 1 A 59 59 TRP C C 57 178.868 179.264 -0.396 1 1 681 . 19 1 1 A 59 59 TRP CA C 57 58.897 59.846 -0.949 1 1 682 . 19 1 1 A 59 59 TRP CB C 57 28.036 28.085 -0.049 1 1 688 . 19 1 1 A 59 59 TRP N N 57 113.433 118.979 -5.546 1 1 690 . 19 1 1 A 60 60 ILE H H 58 6.467 7.366 -0.899 1 1 691 . 19 1 1 A 60 60 ILE HA H 58 3.325 3.490 -0.165 1 1 701 . 19 1 1 A 60 60 ILE C C 58 177.726 177.753 -0.027 1 1 702 . 19 1 1 A 60 60 ILE CA C 58 64.314 64.505 -0.191 1 1 703 . 19 1 1 A 60 60 ILE CB C 58 35.897 36.572 -0.675 1 1 707 . 19 1 1 A 60 60 ILE N N 58 124.379 122.363 2.016 1 1 708 . 19 1 1 A 61 61 GLN H H 59 7.624 8.613 -0.989 1 1 709 . 19 1 1 A 61 61 GLN HA H 59 3.755 3.894 -0.139 1 1 716 . 19 1 1 A 61 61 GLN C C 59 178.434 178.458 -0.024 1 1 717 . 19 1 1 A 61 61 GLN CA C 59 59.379 59.520 -0.141 1 1 718 . 19 1 1 A 61 61 GLN CB C 59 28.602 28.178 0.424 1 1 720 . 19 1 1 A 61 61 GLN N N 59 119.070 118.416 0.654 1 1 722 . 19 1 1 A 62 62 GLU H H 60 8.064 8.220 -0.156 1 1 723 . 19 1 1 A 62 62 GLU HA H 60 4.087 4.081 0.006 1 1 728 . 19 1 1 A 62 62 GLU C C 60 179.051 178.689 0.362 1 1 729 . 19 1 1 A 62 62 GLU CA C 60 59.659 59.436 0.223 1 1 730 . 19 1 1 A 62 62 GLU CB C 60 30.457 29.498 0.959 1 1 732 . 19 1 1 A 62 62 GLU N N 60 117.166 120.313 -3.147 1 1 733 . 19 1 1 A 63 63 TYR H H 61 7.924 8.039 -0.115 1 1 734 . 19 1 1 A 63 63 TYR HA H 61 4.254 4.236 0.018 1 1 741 . 19 1 1 A 63 63 TYR C C 61 178.617 177.210 1.407 1 1 742 . 19 1 1 A 63 63 TYR CA C 61 61.184 61.512 -0.328 1 1 743 . 19 1 1 A 63 63 TYR CB C 61 39.461 38.461 1.000 1 1 746 . 19 1 1 A 63 63 TYR N N 61 121.271 121.058 0.213 1 1 747 . 19 1 1 A 64 64 LEU H H 62 8.260 9.124 -0.864 1 1 748 . 19 1 1 A 64 64 LEU HA H 62 3.966 3.955 0.011 1 1 758 . 19 1 1 A 64 64 LEU C C 62 179.553 179.096 0.457 1 1 759 . 19 1 1 A 64 64 LEU CA C 62 58.014 58.264 -0.250 1 1 760 . 19 1 1 A 64 64 LEU CB C 62 42.397 41.384 1.013 1 1 764 . 19 1 1 A 64 64 LEU N N 62 116.299 120.154 -3.855 1 1 765 . 19 1 1 A 65 65 GLU H H 63 8.454 8.239 0.215 1 1 766 . 19 1 1 A 65 65 GLU HA H 63 3.854 3.896 -0.042 1 1 771 . 19 1 1 A 65 65 GLU C C 63 179.279 179.100 0.179 1 1 772 . 19 1 1 A 65 65 GLU CA C 63 60.301 59.878 0.423 1 1 773 . 19 1 1 A 65 65 GLU CB C 63 29.870 29.437 0.433 1 1 775 . 19 1 1 A 65 65 GLU N N 63 118.616 117.657 0.959 1 1 776 . 19 1 1 A 66 66 LYS H H 64 7.575 7.648 -0.073 1 1 777 . 19 1 1 A 66 66 LYS HA H 64 4.225 4.055 0.170 1 1 786 . 19 1 1 A 66 66 LYS C C 64 178.457 178.167 0.290 1 1 787 . 19 1 1 A 66 66 LYS CA C 64 58.496 59.141 -0.645 1 1 788 . 19 1 1 A 66 66 LYS CB C 64 32.400 31.924 0.476 1 1 792 . 19 1 1 A 66 66 LYS N N 64 117.166 118.351 -1.185 1 1 793 . 19 1 1 A 67 67 CYS H H 65 7.918 7.892 0.026 1 1 794 . 19 1 1 A 67 67 CYS HA H 65 4.526 4.363 0.163 1 1 797 . 19 1 1 A 67 67 CYS C C 65 174.893 176.698 -1.805 1 1 798 . 19 1 1 A 67 67 CYS CA C 65 56.329 60.880 -4.551 1 1 799 . 19 1 1 A 67 67 CYS CB C 65 45.235 26.762 18.473 1 1 800 . 19 1 1 A 67 67 CYS N N 65 115.330 118.202 -2.872 1 1 801 . 19 1 1 A 68 68 LEU H H 66 7.559 7.388 0.171 1 1 802 . 19 1 1 A 68 68 LEU HA H 66 4.491 4.140 0.351 1 1 812 . 19 1 1 A 68 68 LEU C C 66 176.812 176.639 0.173 1 1 813 . 19 1 1 A 68 68 LEU CA C 66 55.366 57.608 -2.242 1 1 814 . 19 1 1 A 68 68 LEU CB C 66 43.278 42.823 0.455 1 1 818 . 19 1 1 A 68 68 LEU N N 66 120.930 121.980 -1.050 1 1 819 . 19 1 1 A 69 69 ASN H H 67 8.265 7.589 0.676 1 1 820 . 19 1 1 A 69 69 ASN HA H 67 4.669 4.973 -0.304 1 1 825 . 19 1 1 A 69 69 ASN CA C 67 53.761 53.117 0.644 1 1 826 . 19 1 1 A 69 69 ASN CB C 67 39.069 40.923 -1.854 1 1 827 . 19 1 1 A 69 69 ASN N N 67 120.279 116.172 4.107 1 1 852 . 19 2 2 B 4 4 GLU H H 102 8.342 8.336 0.006 1 1 853 . 19 2 2 B 4 4 GLU HA H 102 4.282 5.220 -0.938 1 1 858 . 19 2 2 B 4 4 GLU C C 102 177.132 176.138 0.994 1 1 859 . 19 2 2 B 4 4 GLU CA C 102 57.410 54.737 2.673 1 1 861 . 19 2 2 B 4 4 GLU N N 102 121.884 118.128 3.756 1 1 862 . 19 2 2 B 5 5 GLY H H 103 8.331 8.461 -0.130 1 1 863 . 19 2 2 B 5 5 GLY HA2 H 103 3.960 4.130 -0.170 1 1 864 . 19 2 2 B 5 5 GLY HA3 H 103 3.960 4.135 -0.175 1 1 865 . 19 2 2 B 5 5 GLY C C 103 174.207 171.892 2.315 1 1 866 . 19 2 2 B 5 5 GLY CA C 103 45.731 45.595 0.136 1 1 867 . 19 2 2 B 5 5 GLY N N 103 110.055 108.365 1.690 1 1 868 . 19 2 2 B 6 6 ILE H H 104 7.831 8.503 -0.672 1 1 869 . 19 2 2 B 6 6 ILE HA H 104 4.286 4.317 -0.031 1 1 879 . 19 2 2 B 6 6 ILE C C 104 176.401 176.097 0.304 1 1 880 . 19 2 2 B 6 6 ILE CA C 104 61.558 60.661 0.897 1 1 881 . 19 2 2 B 6 6 ILE CB C 104 39.436 38.925 0.511 1 1 885 . 19 2 2 B 6 6 ILE N N 104 119.606 125.867 -6.261 1 1 886 . 19 2 2 B 7 7 SER H H 105 8.350 8.582 -0.232 1 1 887 . 19 2 2 B 7 7 SER HA H 105 4.545 4.623 -0.078 1 1 890 . 19 2 2 B 7 7 SER C C 105 174.550 174.995 -0.445 1 1 891 . 19 2 2 B 7 7 SER CA C 105 58.667 59.355 -0.688 1 1 892 . 19 2 2 B 7 7 SER CB C 105 64.072 61.212 2.860 1 1 893 . 19 2 2 B 7 7 SER N N 105 119.853 115.047 4.806 1 1 894 . 19 2 2 B 8 8 ILE H H 106 7.921 7.788 0.133 1 1 895 . 19 2 2 B 8 8 ILE HA H 106 4.205 3.717 0.488 1 1 905 . 19 2 2 B 8 8 ILE C C 106 175.921 176.992 -1.071 1 1 906 . 19 2 2 B 8 8 ILE CA C 106 61.935 64.431 -2.496 1 1 907 . 19 2 2 B 8 8 ILE CB C 106 39.436 36.452 2.984 1 1 911 . 19 2 2 B 8 8 ILE N N 106 121.730 118.305 3.425 1 1 912 . 19 2 2 B 9 9 TYR H H 107 8.166 7.556 0.610 1 1 913 . 19 2 2 B 9 9 TYR HA H 107 4.713 4.648 0.065 1 1 920 . 19 2 2 B 9 9 TYR C C 107 176.058 175.106 0.952 1 1 921 . 19 2 2 B 9 9 TYR CA C 107 58.165 58.867 -0.702 1 1 922 . 19 2 2 B 9 9 TYR CB C 107 39.436 39.885 -0.449 1 1 925 . 19 2 2 B 9 9 TYR N N 107 123.598 119.710 3.888 1 1 926 . 19 2 2 B 10 10 THR H H 108 7.961 8.072 -0.111 1 1 927 . 19 2 2 B 10 10 THR HA H 108 4.433 4.013 0.420 1 1 932 . 19 2 2 B 10 10 THR C C 108 174.459 173.037 1.422 1 1 933 . 19 2 2 B 10 10 THR CA C 108 62.061 62.435 -0.374 1 1 934 . 19 2 2 B 10 10 THR CB C 108 70.608 67.225 3.383 1 1 936 . 19 2 2 B 10 10 THR N N 108 115.642 111.652 3.990 1 1 937 . 19 2 2 B 11 11 SER H H 109 8.211 7.839 0.372 1 1 938 . 19 2 2 B 11 11 SER HA H 109 4.507 4.871 -0.364 1 1 941 . 19 2 2 B 11 11 SER C C 109 174.504 172.339 2.165 1 1 942 . 19 2 2 B 11 11 SER CA C 109 58.919 57.626 1.293 1 1 943 . 19 2 2 B 11 11 SER CB C 109 64.198 66.446 -2.248 1 1 944 . 19 2 2 B 11 11 SER N N 109 117.260 117.786 -0.526 1 1 945 . 19 2 2 B 12 12 ASP H H 110 8.351 9.100 -0.749 1 1 946 . 19 2 2 B 12 12 ASP HA H 110 4.631 4.668 -0.037 1 1 949 . 19 2 2 B 12 12 ASP C C 110 176.058 176.199 -0.141 1 1 950 . 19 2 2 B 12 12 ASP CA C 110 55.022 53.703 1.319 1 1 951 . 19 2 2 B 12 12 ASP CB C 110 41.825 40.708 1.117 1 1 952 . 19 2 2 B 12 12 ASP N N 110 122.020 127.227 -5.207 1 1 953 . 19 2 2 B 13 13 ASN H H 111 8.230 8.708 -0.478 1 1 954 . 19 2 2 B 13 13 ASN HA H 111 4.726 5.116 -0.390 1 1 957 . 19 2 2 B 13 13 ASN C C 111 175.030 176.055 -1.025 1 1 958 . 19 2 2 B 13 13 ASN CA C 111 53.765 52.123 1.642 1 1 959 . 19 2 2 B 13 13 ASN CB C 111 39.562 39.053 0.509 1 1 960 . 19 2 2 B 13 13 ASN N N 111 118.317 126.930 -8.613 1 1 961 . 19 2 2 B 14 14 TYR H H 112 8.101 7.636 0.465 1 1 962 . 19 2 2 B 14 14 TYR HA H 112 4.638 4.346 0.292 1 1 969 . 19 2 2 B 14 14 TYR C C 112 176.081 175.527 0.554 1 1 970 . 19 2 2 B 14 14 TYR CA C 112 58.793 60.529 -1.736 1 1 971 . 19 2 2 B 14 14 TYR CB C 112 39.436 39.451 -0.015 1 1 974 . 19 2 2 B 14 14 TYR N N 112 120.850 119.938 0.912 1 1 975 . 19 2 2 B 15 15 THR H H 113 7.879 8.179 -0.300 1 1 976 . 19 2 2 B 15 15 THR HA H 113 4.284 3.965 0.319 1 1 981 . 19 2 2 B 15 15 THR C C 113 174.413 173.065 1.348 1 1 982 . 19 2 2 B 15 15 THR CA C 113 62.187 63.502 -1.315 1 1 983 . 19 2 2 B 15 15 THR CB C 113 70.341 68.153 2.188 1 1 985 . 19 2 2 B 15 15 THR N N 113 116.126 114.156 1.970 1 1 986 . 19 2 2 B 16 16 GLU H H 114 8.253 8.120 0.133 1 1 987 . 19 2 2 B 16 16 GLU HA H 114 4.256 4.723 -0.467 1 1 992 . 19 2 2 B 16 16 GLU C C 114 176.766 175.985 0.781 1 1 993 . 19 2 2 B 16 16 GLU CA C 114 57.410 55.526 1.884 1 1 994 . 19 2 2 B 16 16 GLU CB C 114 30.620 31.440 -0.820 1 1 996 . 19 2 2 B 16 16 GLU N N 114 123.052 121.950 1.102 1 1 997 . 19 2 2 B 17 17 GLU H H 115 8.331 8.808 -0.477 1 1 998 . 19 2 2 B 17 17 GLU HA H 115 4.292 4.718 -0.426 1 1 1003 . 19 2 2 B 17 17 GLU C C 115 176.880 176.095 0.785 1 1 1004 . 19 2 2 B 17 17 GLU CA C 115 57.410 56.133 1.277 1 1 1005 . 19 2 2 B 17 17 GLU CB C 115 30.525 31.366 -0.841 1 1 1007 . 19 2 2 B 17 17 GLU N N 115 121.688 119.477 2.211 1 1 1008 . 19 2 2 B 18 18 MET H H 116 8.317 7.963 0.354 1 1 1009 . 19 2 2 B 18 18 MET HA H 116 4.490 5.285 -0.795 1 1 1014 . 19 2 2 B 18 18 MET C C 116 177.086 175.703 1.383 1 1 1015 . 19 2 2 B 18 18 MET CA C 116 56.279 54.610 1.669 1 1 1016 . 19 2 2 B 18 18 MET CB C 116 33.026 37.395 -4.369 1 1 1017 . 19 2 2 B 18 18 MET N N 116 121.270 119.013 2.257 1 1 1018 . 19 2 2 B 19 19 GLY H H 117 8.320 8.339 -0.019 1 1 1019 . 19 2 2 B 19 19 GLY HA2 H 117 4.054 4.376 -0.322 1 1 1020 . 19 2 2 B 19 19 GLY HA3 H 117 4.054 4.380 -0.326 1 1 1021 . 19 2 2 B 19 19 GLY C C 117 174.481 172.270 2.211 1 1 1022 . 19 2 2 B 19 19 GLY CA C 117 45.847 45.847 0.000 1 1 1023 . 19 2 2 B 19 19 GLY N N 117 110.055 109.393 0.662 1 1 1024 . 19 2 2 B 20 20 SER H H 118 8.230 8.652 -0.422 1 1 1025 . 19 2 2 B 20 20 SER HA H 118 4.476 5.274 -0.798 1 1 1028 . 19 2 2 B 20 20 SER C C 118 175.327 173.142 2.185 1 1 1029 . 19 2 2 B 20 20 SER CA C 118 58.919 57.621 1.298 1 1 1030 . 19 2 2 B 20 20 SER CB C 118 64.575 67.112 -2.537 1 1 1031 . 19 2 2 B 20 20 SER N N 118 115.664 115.881 -0.217 1 1 1032 . 19 2 2 B 21 21 GLY H H 119 8.371 8.679 -0.308 1 1 1033 . 19 2 2 B 21 21 GLY HA2 H 119 3.951 4.256 -0.305 1 1 1034 . 19 2 2 B 21 21 GLY HA3 H 119 3.951 4.257 -0.306 1 1 1035 . 19 2 2 B 21 21 GLY C C 119 174.002 171.858 2.144 1 1 1036 . 19 2 2 B 21 21 GLY CA C 119 45.721 44.870 0.851 1 1 1037 . 19 2 2 B 21 21 GLY N N 119 110.872 109.845 1.027 1 1 1068 . 19 2 2 B 25 25 SER H H 123 8.155 8.899 -0.744 1 1 1069 . 19 2 2 B 25 25 SER HA H 123 4.404 4.718 -0.314 1 1 1072 . 19 2 2 B 25 25 SER C C 123 175.075 173.169 1.906 1 1 1073 . 19 2 2 B 25 25 SER CA C 123 59.347 57.373 1.974 1 1 1074 . 19 2 2 B 25 25 SER CB C 123 63.879 62.343 1.536 1 1 1075 . 19 2 2 B 25 25 SER N N 123 116.126 121.042 -4.916 1 1 1076 . 19 2 2 B 26 26 MET H H 124 8.221 7.838 0.383 1 1 1077 . 19 2 2 B 26 26 MET HA H 124 4.482 4.918 -0.436 1 1 1082 . 19 2 2 B 26 26 MET C C 124 176.355 173.992 2.363 1 1 1083 . 19 2 2 B 26 26 MET CA C 124 56.279 55.060 1.219 1 1 1084 . 19 2 2 B 26 26 MET CB C 124 32.900 34.773 -1.873 1 1 1086 . 19 2 2 B 26 26 MET N N 124 121.210 125.221 -4.011 1 1 1087 . 19 2 2 B 27 27 LYS H H 125 8.036 8.760 -0.724 1 1 1088 . 19 2 2 B 27 27 LYS HA H 125 4.333 4.718 -0.385 1 1 1097 . 19 2 2 B 27 27 LYS C C 125 176.355 174.255 2.100 1 1 1098 . 19 2 2 B 27 27 LYS CA C 125 56.656 55.369 1.287 1 1 1099 . 19 2 2 B 27 27 LYS CB C 125 33.529 35.154 -1.625 1 1 1103 . 19 2 2 B 27 27 LYS N N 125 121.457 125.559 -4.102 1 1 1104 . 19 2 2 B 28 28 GLU H H 126 8.205 8.959 -0.754 1 1 1105 . 19 2 2 B 28 28 GLU N N 126 122.740 118.070 4.670 1 1 1106 . 19 2 2 B 29 29 PRO HA H 127 4.377 4.804 -0.427 1 1 1113 . 19 2 2 B 29 29 PRO C C 127 176.812 176.230 0.582 1 1 1114 . 19 2 2 B 29 29 PRO CA C 127 63.821 62.573 1.248 1 1 1115 . 19 2 2 B 29 29 PRO CB C 127 32.272 32.795 -0.523 1 1 1118 . 19 2 2 B 30 30 ALA H H 128 8.273 8.452 -0.179 1 1 1119 . 19 2 2 B 30 30 ALA HA H 128 4.287 4.523 -0.236 1 1 1123 . 19 2 2 B 30 30 ALA C C 128 177.589 177.729 -0.140 1 1 1124 . 19 2 2 B 30 30 ALA CA C 128 52.873 51.849 1.024 1 1 1125 . 19 2 2 B 30 30 ALA CB C 128 19.703 19.635 0.068 1 1 1126 . 19 2 2 B 30 30 ALA N N 128 123.577 124.526 -0.949 1 1 1127 . 19 2 2 B 31 31 PHE H H 129 8.019 8.248 -0.229 1 1 1128 . 19 2 2 B 31 31 PHE HA H 129 4.621 4.100 0.521 1 1 1135 . 19 2 2 B 31 31 PHE C C 129 175.624 174.519 1.105 1 1 1136 . 19 2 2 B 31 31 PHE CA C 129 58.039 59.000 -0.961 1 1 1137 . 19 2 2 B 31 31 PHE CB C 129 40.055 38.083 1.972 1 1 1140 . 19 2 2 B 31 31 PHE N N 129 118.994 116.798 2.196 1 1 1141 . 19 2 2 B 32 32 ARG H H 130 8.042 7.762 0.280 1 1 1142 . 19 2 2 B 32 32 ARG HA H 130 4.332 4.697 -0.365 1 1 1149 . 19 2 2 B 32 32 ARG C C 130 175.875 174.229 1.646 1 1 1150 . 19 2 2 B 32 32 ARG CA C 130 56.154 55.283 0.871 1 1 1151 . 19 2 2 B 32 32 ARG CB C 130 31.643 33.072 -1.429 1 1 1154 . 19 2 2 B 32 32 ARG N N 130 122.929 118.832 4.097 1 1 1155 . 19 2 2 B 33 33 GLU H H 131 8.389 8.644 -0.255 1 1 1156 . 19 2 2 B 33 33 GLU HA H 131 4.276 4.637 -0.361 1 1 1161 . 19 2 2 B 33 33 GLU C C 131 176.766 175.411 1.355 1 1 1162 . 19 2 2 B 33 33 GLU CA C 131 57.285 56.252 1.033 1 1 1163 . 19 2 2 B 33 33 GLU CB C 131 30.512 29.505 1.007 1 1 1165 . 19 2 2 B 33 33 GLU N N 131 122.719 126.638 -3.919 1 1 1166 . 19 2 2 B 34 34 GLU H H 132 8.502 7.975 0.527 1 1 1167 . 19 2 2 B 34 34 GLU HA H 132 4.275 4.645 -0.370 1 1 1172 . 19 2 2 B 34 34 GLU C C 132 176.560 174.342 2.218 1 1 1173 . 19 2 2 B 34 34 GLU CA C 132 57.400 56.693 0.707 1 1 1174 . 19 2 2 B 34 34 GLU CB C 132 30.526 31.296 -0.770 1 1 1176 . 19 2 2 B 34 34 GLU N N 132 122.122 124.990 -2.868 1 1 1177 . 19 2 2 B 35 35 ASN H H 133 8.362 8.581 -0.219 1 1 1178 . 19 2 2 B 35 35 ASN HA H 133 4.693 4.927 -0.234 1 1 1181 . 19 2 2 B 35 35 ASN C C 133 175.258 174.813 0.445 1 1 1182 . 19 2 2 B 35 35 ASN CA C 133 53.765 53.261 0.504 1 1 1183 . 19 2 2 B 35 35 ASN CB C 133 39.562 38.893 0.669 1 1 1184 . 19 2 2 B 35 35 ASN N N 133 119.552 124.541 -4.989 1 1 1185 . 19 2 2 B 36 36 ALA H H 134 8.155 8.666 -0.511 1 1 1186 . 19 2 2 B 36 36 ALA HA H 134 4.289 4.380 -0.091 1 1 1190 . 19 2 2 B 36 36 ALA C C 134 177.520 176.481 1.039 1 1 1191 . 19 2 2 B 36 36 ALA CA C 134 52.873 51.133 1.740 1 1 1192 . 19 2 2 B 36 36 ALA CB C 134 19.703 19.850 -0.147 1 1 1193 . 19 2 2 B 36 36 ALA N N 134 124.376 126.535 -2.159 1 1 1194 . 19 2 2 B 37 37 ASN H H 135 8.210 7.486 0.724 1 1 1195 . 19 2 2 B 37 37 ASN HA H 135 4.694 4.946 -0.252 1 1 1198 . 19 2 2 B 37 37 ASN C C 135 175.144 173.694 1.450 1 1 1199 . 19 2 2 B 37 37 ASN CA C 135 53.640 51.786 1.854 1 1 1200 . 19 2 2 B 37 37 ASN CB C 135 39.311 39.405 -0.094 1 1 1201 . 19 2 2 B 37 37 ASN N N 135 117.103 118.177 -1.074 1 1 1202 . 19 2 2 B 38 38 PHE H H 136 7.997 8.971 -0.974 1 1 1203 . 19 2 2 B 38 38 PHE HA H 136 4.659 5.001 -0.342 1 1 1210 . 19 2 2 B 38 38 PHE C C 136 175.601 174.162 1.439 1 1 1211 . 19 2 2 B 38 38 PHE CA C 136 58.165 56.700 1.465 1 1 1212 . 19 2 2 B 38 38 PHE CB C 136 39.939 38.644 1.295 1 1 1215 . 19 2 2 B 38 38 PHE N N 136 120.229 126.477 -6.248 1 1 1216 . 19 2 2 B 39 39 ASN H H 137 8.272 8.923 -0.651 1 1 1217 . 19 2 2 B 39 39 ASN HA H 137 4.733 5.526 -0.793 1 1 1220 . 19 2 2 B 39 39 ASN C C 137 174.047 174.100 -0.053 1 1 1221 . 19 2 2 B 39 39 ASN CA C 137 53.891 51.779 2.112 1 1 1222 . 19 2 2 B 39 39 ASN CB C 137 39.688 42.020 -2.332 1 1 1223 . 19 2 2 B 39 39 ASN N N 137 120.594 123.947 -3.353 1 1 3 . 20 1 1 A 4 4 PRO HA H 2 4.509 4.447 0.062 1 1 10 . 20 1 1 A 4 4 PRO C C 2 177.132 176.906 0.226 1 1 11 . 20 1 1 A 4 4 PRO CA C 2 63.529 63.663 -0.134 1 1 12 . 20 1 1 A 4 4 PRO CB C 2 32.476 31.683 0.793 1 1 15 . 20 1 1 A 5 5 VAL H H 3 8.201 8.053 0.148 1 1 16 . 20 1 1 A 5 5 VAL HA H 3 4.152 3.985 0.167 1 1 24 . 20 1 1 A 5 5 VAL C C 3 176.423 175.871 0.552 1 1 25 . 20 1 1 A 5 5 VAL CA C 3 62.873 64.469 -1.596 1 1 26 . 20 1 1 A 5 5 VAL CB C 3 33.455 31.776 1.679 1 1 28 . 20 1 1 A 5 5 VAL N N 3 120.488 117.045 3.443 1 1 29 . 20 1 1 A 6 6 SER H H 4 8.276 7.801 0.475 1 1 30 . 20 1 1 A 6 6 SER HA H 4 4.494 4.831 -0.337 1 1 33 . 20 1 1 A 6 6 SER C C 4 174.687 172.514 2.173 1 1 34 . 20 1 1 A 6 6 SER CA C 4 58.375 56.895 1.480 1 1 35 . 20 1 1 A 6 6 SER CB C 4 64.295 65.138 -0.843 1 1 36 . 20 1 1 A 6 6 SER N N 4 119.000 117.229 1.771 1 1 37 . 20 1 1 A 7 7 LEU H H 5 8.238 8.385 -0.147 1 1 38 . 20 1 1 A 7 7 LEU HA H 5 4.406 4.530 -0.124 1 1 44 . 20 1 1 A 7 7 LEU C C 5 177.406 176.094 1.312 1 1 45 . 20 1 1 A 7 7 LEU CA C 5 55.766 54.686 1.080 1 1 46 . 20 1 1 A 7 7 LEU CB C 5 43.132 42.996 0.136 1 1 48 . 20 1 1 A 7 7 LEU N N 5 124.704 128.627 -3.923 1 1 49 . 20 1 1 A 8 8 SER H H 6 8.148 8.960 -0.812 1 1 50 . 20 1 1 A 8 8 SER HA H 6 4.438 4.667 -0.229 1 1 53 . 20 1 1 A 8 8 SER C C 6 174.321 173.003 1.318 1 1 54 . 20 1 1 A 8 8 SER CA C 6 58.718 58.097 0.621 1 1 55 . 20 1 1 A 8 8 SER CB C 6 64.295 63.332 0.963 1 1 56 . 20 1 1 A 8 8 SER N N 6 115.960 121.585 -5.625 1 1 57 . 20 1 1 A 9 9 TYR H H 7 7.954 7.789 0.165 1 1 58 . 20 1 1 A 9 9 TYR HA H 7 4.585 4.138 0.447 1 1 65 . 20 1 1 A 9 9 TYR C C 7 175.532 174.598 0.934 1 1 66 . 20 1 1 A 9 9 TYR CA C 7 58.335 58.357 -0.022 1 1 67 . 20 1 1 A 9 9 TYR CB C 7 39.474 35.973 3.501 1 1 70 . 20 1 1 A 9 9 TYR N N 7 121.884 117.575 4.309 1 1 71 . 20 1 1 A 10 10 ARG H H 8 8.117 7.776 0.341 1 1 72 . 20 1 1 A 10 10 ARG HA H 8 4.349 4.915 -0.566 1 1 79 . 20 1 1 A 10 10 ARG C C 8 175.898 175.155 0.743 1 1 80 . 20 1 1 A 10 10 ARG CA C 8 56.048 54.035 2.013 1 1 81 . 20 1 1 A 10 10 ARG CB C 8 31.492 32.723 -1.231 1 1 84 . 20 1 1 A 10 10 ARG N N 8 121.977 117.108 4.869 1 1 85 . 20 1 1 A 11 11 CYS H H 9 8.127 8.837 -0.710 1 1 86 . 20 1 1 A 11 11 CYS HA H 9 4.984 5.588 -0.604 1 1 89 . 20 1 1 A 11 11 CYS C C 9 177.771 173.768 4.003 1 1 90 . 20 1 1 A 11 11 CYS CA C 9 53.192 55.051 -1.859 1 1 91 . 20 1 1 A 11 11 CYS CB C 9 40.897 42.292 -1.395 1 1 92 . 20 1 1 A 11 11 CYS N N 9 121.209 119.979 1.230 1 1 93 . 20 1 1 A 12 12 PRO HA H 10 4.321 4.306 0.015 1 1 100 . 20 1 1 A 12 12 PRO CA C 10 65.478 64.703 0.775 1 1 101 . 20 1 1 A 12 12 PRO CB C 10 32.904 31.797 1.107 1 1 104 . 20 1 1 A 13 13 CYS H H 11 8.633 7.571 1.062 1 1 105 . 20 1 1 A 13 13 CYS C C 11 174.618 173.866 0.752 1 1 106 . 20 1 1 A 13 13 CYS N N 11 114.595 114.918 -0.323 1 1 107 . 20 1 1 A 14 14 ARG H H 12 8.236 8.906 -0.670 1 1 108 . 20 1 1 A 14 14 ARG HA H 12 4.067 4.130 -0.063 1 1 115 . 20 1 1 A 14 14 ARG C C 12 175.098 175.313 -0.215 1 1 116 . 20 1 1 A 14 14 ARG CA C 12 57.370 57.981 -0.611 1 1 117 . 20 1 1 A 14 14 ARG CB C 12 31.631 31.128 0.503 1 1 120 . 20 1 1 A 14 14 ARG N N 12 122.779 124.347 -1.568 1 1 121 . 20 1 1 A 15 15 PHE H H 13 7.615 7.756 -0.141 1 1 122 . 20 1 1 A 15 15 PHE HA H 13 4.510 5.176 -0.666 1 1 129 . 20 1 1 A 15 15 PHE C C 13 174.162 175.119 -0.957 1 1 130 . 20 1 1 A 15 15 PHE CA C 13 56.289 56.408 -0.119 1 1 131 . 20 1 1 A 15 15 PHE CB C 13 41.320 43.124 -1.804 1 1 134 . 20 1 1 A 15 15 PHE N N 13 116.797 114.935 1.862 1 1 135 . 20 1 1 A 16 16 PHE H H 14 8.125 8.695 -0.570 1 1 136 . 20 1 1 A 16 16 PHE HA H 14 4.767 5.734 -0.967 1 1 143 . 20 1 1 A 16 16 PHE C C 14 175.441 173.819 1.622 1 1 144 . 20 1 1 A 16 16 PHE CA C 14 55.767 55.271 0.496 1 1 145 . 20 1 1 A 16 16 PHE CB C 14 41.320 42.631 -1.311 1 1 148 . 20 1 1 A 16 16 PHE N N 14 118.930 117.970 0.960 1 1 149 . 20 1 1 A 17 17 GLU H H 15 8.836 9.371 -0.535 1 1 150 . 20 1 1 A 17 17 GLU HA H 15 4.579 4.437 0.142 1 1 155 . 20 1 1 A 17 17 GLU C C 15 176.857 176.716 0.141 1 1 156 . 20 1 1 A 17 17 GLU CA C 15 56.289 56.921 -0.632 1 1 157 . 20 1 1 A 17 17 GLU CB C 15 31.173 30.296 0.877 1 1 159 . 20 1 1 A 17 17 GLU N N 15 122.929 121.286 1.643 1 1 160 . 20 1 1 A 18 18 SER H H 16 8.751 8.842 -0.091 1 1 161 . 20 1 1 A 18 18 SER HA H 16 4.762 4.616 0.146 1 1 164 . 20 1 1 A 18 18 SER C C 16 177.497 173.852 3.645 1 1 165 . 20 1 1 A 18 18 SER CA C 16 59.328 58.614 0.714 1 1 166 . 20 1 1 A 18 18 SER CB C 16 64.515 64.245 0.270 1 1 167 . 20 1 1 A 18 18 SER N N 16 118.860 115.118 3.742 1 1 168 . 20 1 1 A 19 19 HIS H H 17 8.761 8.352 0.409 1 1 169 . 20 1 1 A 19 19 HIS HA H 17 4.859 4.726 0.133 1 1 174 . 20 1 1 A 19 19 HIS C C 17 174.618 174.067 0.551 1 1 175 . 20 1 1 A 19 19 HIS CA C 17 56.449 55.300 1.149 1 1 176 . 20 1 1 A 19 19 HIS CB C 17 29.870 28.277 1.593 1 1 179 . 20 1 1 A 19 19 HIS N N 17 120.535 118.545 1.990 1 1 180 . 20 1 1 A 20 20 VAL H H 18 7.157 8.732 -1.575 1 1 181 . 20 1 1 A 20 20 VAL HA H 18 4.181 4.609 -0.428 1 1 189 . 20 1 1 A 20 20 VAL C C 18 174.436 174.005 0.431 1 1 190 . 20 1 1 A 20 20 VAL CA C 18 62.167 60.384 1.783 1 1 191 . 20 1 1 A 20 20 VAL CB C 18 34.426 35.903 -1.477 1 1 193 . 20 1 1 A 20 20 VAL N N 18 120.872 124.072 -3.200 1 1 194 . 20 1 1 A 21 21 ALA H H 19 8.521 8.546 -0.025 1 1 195 . 20 1 1 A 21 21 ALA HA H 19 4.372 4.449 -0.077 1 1 199 . 20 1 1 A 21 21 ALA C C 19 177.657 178.272 -0.615 1 1 200 . 20 1 1 A 21 21 ALA CA C 19 51.193 50.490 0.703 1 1 201 . 20 1 1 A 21 21 ALA CB C 19 19.790 20.389 -0.599 1 1 202 . 20 1 1 A 21 21 ALA N N 19 131.339 128.344 2.995 1 1 203 . 20 1 1 A 22 22 ARG H H 20 7.790 7.983 -0.193 1 1 204 . 20 1 1 A 22 22 ARG HA H 20 2.445 3.369 -0.924 1 1 211 . 20 1 1 A 22 22 ARG C C 20 178.365 177.696 0.669 1 1 212 . 20 1 1 A 22 22 ARG CA C 20 59.379 57.620 1.759 1 1 213 . 20 1 1 A 22 22 ARG CB C 20 29.572 29.031 0.541 1 1 216 . 20 1 1 A 22 22 ARG N N 20 124.365 123.176 1.189 1 1 217 . 20 1 1 A 23 23 ALA H H 21 8.120 7.841 0.279 1 1 218 . 20 1 1 A 23 23 ALA HA H 21 4.060 4.068 -0.008 1 1 222 . 20 1 1 A 23 23 ALA C C 21 178.000 177.820 0.180 1 1 223 . 20 1 1 A 23 23 ALA CA C 21 54.100 53.958 0.142 1 1 224 . 20 1 1 A 23 23 ALA CB C 21 18.713 18.300 0.413 1 1 225 . 20 1 1 A 23 23 ALA N N 21 117.156 123.279 -6.123 1 1 226 . 20 1 1 A 24 24 ASN H H 22 7.717 8.221 -0.504 1 1 227 . 20 1 1 A 24 24 ASN HA H 22 5.010 4.734 0.276 1 1 232 . 20 1 1 A 24 24 ASN C C 22 174.938 174.789 0.149 1 1 233 . 20 1 1 A 24 24 ASN CA C 22 52.869 52.636 0.233 1 1 234 . 20 1 1 A 24 24 ASN CB C 22 40.573 38.017 2.556 1 1 235 . 20 1 1 A 24 24 ASN N N 22 112.819 113.064 -0.245 1 1 237 . 20 1 1 A 25 25 VAL H H 23 7.489 7.897 -0.408 1 1 238 . 20 1 1 A 25 25 VAL HA H 23 4.888 4.762 0.126 1 1 246 . 20 1 1 A 25 25 VAL C C 23 175.829 175.455 0.374 1 1 247 . 20 1 1 A 25 25 VAL CA C 23 59.870 59.434 0.436 1 1 248 . 20 1 1 A 25 25 VAL CB C 23 35.396 34.232 1.164 1 1 251 . 20 1 1 A 25 25 VAL N N 23 119.721 114.556 5.165 1 1 252 . 20 1 1 A 26 26 LYS H H 24 9.479 9.077 0.402 1 1 253 . 20 1 1 A 26 26 LYS HA H 24 4.353 4.445 -0.092 1 1 262 . 20 1 1 A 26 26 LYS C C 24 176.606 176.499 0.107 1 1 263 . 20 1 1 A 26 26 LYS CA C 24 58.977 57.059 1.918 1 1 264 . 20 1 1 A 26 26 LYS CB C 24 34.567 33.580 0.987 1 1 268 . 20 1 1 A 26 26 LYS N N 24 127.843 121.708 6.135 1 1 269 . 20 1 1 A 27 27 HIS H H 25 7.237 7.566 -0.329 1 1 270 . 20 1 1 A 27 27 HIS HA H 25 4.979 4.938 0.041 1 1 275 . 20 1 1 A 27 27 HIS C C 25 178.434 172.480 5.954 1 1 276 . 20 1 1 A 27 27 HIS CA C 25 55.406 54.657 0.749 1 1 277 . 20 1 1 A 27 27 HIS CB C 25 32.480 31.510 0.970 1 1 280 . 20 1 1 A 27 27 HIS N N 25 109.556 113.914 -4.358 1 1 281 . 20 1 1 A 28 28 LEU H H 26 8.189 8.794 -0.605 1 1 282 . 20 1 1 A 28 28 LEU HA H 26 5.190 5.277 -0.087 1 1 292 . 20 1 1 A 28 28 LEU C C 26 175.510 175.848 -0.338 1 1 293 . 20 1 1 A 28 28 LEU CA C 26 53.480 53.514 -0.034 1 1 294 . 20 1 1 A 28 28 LEU CB C 26 45.235 45.595 -0.360 1 1 298 . 20 1 1 A 28 28 LEU N N 26 117.260 119.729 -2.469 1 1 299 . 20 1 1 A 29 29 LYS H H 27 9.572 8.746 0.826 1 1 300 . 20 1 1 A 29 29 LYS HA H 27 5.372 5.105 0.267 1 1 309 . 20 1 1 A 29 29 LYS C C 27 174.801 174.368 0.433 1 1 310 . 20 1 1 A 29 29 LYS CA C 27 55.165 54.954 0.211 1 1 311 . 20 1 1 A 29 29 LYS CB C 27 35.253 35.767 -0.514 1 1 315 . 20 1 1 A 29 29 LYS N N 27 123.488 122.682 0.806 1 1 316 . 20 1 1 A 30 30 ILE H H 28 9.136 8.934 0.202 1 1 317 . 20 1 1 A 30 30 ILE HA H 28 4.926 5.029 -0.103 1 1 327 . 20 1 1 A 30 30 ILE C C 28 176.949 175.208 1.741 1 1 328 . 20 1 1 A 30 30 ILE CA C 28 60.542 59.663 0.879 1 1 329 . 20 1 1 A 30 30 ILE CB C 28 39.600 40.535 -0.935 1 1 333 . 20 1 1 A 30 30 ILE N N 28 123.846 127.603 -3.757 1 1 334 . 20 1 1 A 31 31 LEU H H 29 8.830 9.202 -0.372 1 1 335 . 20 1 1 A 31 31 LEU HA H 29 4.535 4.894 -0.359 1 1 344 . 20 1 1 A 31 31 LEU C C 29 176.012 175.020 0.992 1 1 345 . 20 1 1 A 31 31 LEU CA C 29 55.366 53.717 1.649 1 1 346 . 20 1 1 A 31 31 LEU CB C 29 43.180 46.454 -3.274 1 1 349 . 20 1 1 A 31 31 LEU N N 29 128.649 126.765 1.884 1 1 350 . 20 1 1 A 32 32 ASN H H 30 8.216 9.100 -0.884 1 1 351 . 20 1 1 A 32 32 ASN HA H 30 5.013 5.499 -0.486 1 1 356 . 20 1 1 A 32 32 ASN C C 30 174.664 174.654 0.010 1 1 357 . 20 1 1 A 32 32 ASN CA C 30 52.517 51.392 1.125 1 1 358 . 20 1 1 A 32 32 ASN CB C 30 38.776 40.081 -1.305 1 1 359 . 20 1 1 A 32 32 ASN N N 30 120.791 120.329 0.462 1 1 361 . 20 1 1 A 33 33 THR H H 31 7.883 8.680 -0.797 1 1 362 . 20 1 1 A 33 33 THR HA H 31 4.842 4.740 0.102 1 1 367 . 20 1 1 A 33 33 THR CA C 31 58.369 60.411 -2.042 1 1 368 . 20 1 1 A 33 33 THR CB C 31 70.018 68.670 1.348 1 1 370 . 20 1 1 A 33 33 THR N N 31 115.811 115.767 0.044 1 1 371 . 20 1 1 A 34 34 PRO HA H 32 4.317 4.656 -0.339 1 1 378 . 20 1 1 A 34 34 PRO CA C 32 65.164 62.390 2.774 1 1 379 . 20 1 1 A 34 34 PRO CB C 32 32.484 29.765 2.719 1 1 382 . 20 1 1 A 35 35 ASN H H 33 8.254 8.646 -0.392 1 1 383 . 20 1 1 A 35 35 ASN HA H 33 4.651 4.856 -0.205 1 1 388 . 20 1 1 A 35 35 ASN C C 33 174.710 174.062 0.648 1 1 389 . 20 1 1 A 35 35 ASN CA C 33 54.532 53.895 0.637 1 1 390 . 20 1 1 A 35 35 ASN CB C 33 39.167 41.162 -1.995 1 1 391 . 20 1 1 A 35 35 ASN N N 33 120.081 120.499 -0.418 1 1 393 . 20 1 1 A 36 36 CYS H H 34 7.548 8.091 -0.543 1 1 394 . 20 1 1 A 36 36 CYS HA H 34 4.694 4.958 -0.264 1 1 397 . 20 1 1 A 36 36 CYS C C 34 173.865 173.465 0.400 1 1 398 . 20 1 1 A 36 36 CYS CA C 34 55.447 54.646 0.801 1 1 399 . 20 1 1 A 36 36 CYS CB C 34 45.228 46.924 -1.696 1 1 400 . 20 1 1 A 36 36 CYS N N 34 117.076 116.217 0.859 1 1 401 . 20 1 1 A 37 37 ALA H H 35 8.472 8.535 -0.063 1 1 402 . 20 1 1 A 37 37 ALA HA H 35 4.236 4.373 -0.137 1 1 406 . 20 1 1 A 37 37 ALA C C 35 176.423 177.215 -0.792 1 1 407 . 20 1 1 A 37 37 ALA CA C 35 53.537 51.863 1.674 1 1 408 . 20 1 1 A 37 37 ALA CB C 35 19.202 20.485 -1.283 1 1 409 . 20 1 1 A 37 37 ALA N N 35 125.153 124.971 0.182 1 1 410 . 20 1 1 A 38 38 CYS H H 36 8.316 8.405 -0.089 1 1 411 . 20 1 1 A 38 38 CYS HA H 36 4.196 4.265 -0.069 1 1 414 . 20 1 1 A 38 38 CYS C C 36 173.705 173.914 -0.209 1 1 415 . 20 1 1 A 38 38 CYS CA C 36 58.616 60.026 -1.410 1 1 416 . 20 1 1 A 38 38 CYS CB C 36 45.705 27.702 18.003 1 1 417 . 20 1 1 A 38 38 CYS N N 36 118.837 118.322 0.515 1 1 418 . 20 1 1 A 39 39 GLN H H 37 8.921 8.046 0.875 1 1 419 . 20 1 1 A 39 39 GLN HA H 37 4.609 4.451 0.158 1 1 426 . 20 1 1 A 39 39 GLN C C 37 173.636 173.370 0.266 1 1 427 . 20 1 1 A 39 39 GLN CA C 37 54.603 54.964 -0.361 1 1 428 . 20 1 1 A 39 39 GLN CB C 37 31.761 32.456 -0.695 1 1 430 . 20 1 1 A 39 39 GLN N N 37 128.567 124.895 3.672 1 1 432 . 20 1 1 A 40 40 ILE H H 38 8.893 8.321 0.572 1 1 433 . 20 1 1 A 40 40 ILE HA H 38 5.068 4.883 0.185 1 1 443 . 20 1 1 A 40 40 ILE C C 38 174.390 174.815 -0.425 1 1 444 . 20 1 1 A 40 40 ILE CA C 38 60.582 59.856 0.726 1 1 445 . 20 1 1 A 40 40 ILE CB C 38 40.048 39.885 0.163 1 1 449 . 20 1 1 A 40 40 ILE N N 38 123.962 127.054 -3.092 1 1 450 . 20 1 1 A 41 41 VAL H H 39 9.120 9.550 -0.430 1 1 451 . 20 1 1 A 41 41 VAL HA H 39 4.845 4.946 -0.101 1 1 459 . 20 1 1 A 41 41 VAL C C 39 175.487 175.093 0.394 1 1 460 . 20 1 1 A 41 41 VAL CA C 39 59.980 61.022 -1.042 1 1 461 . 20 1 1 A 41 41 VAL CB C 39 35.868 34.398 1.470 1 1 464 . 20 1 1 A 41 41 VAL N N 39 126.354 126.634 -0.280 1 1 465 . 20 1 1 A 42 42 ALA H H 40 9.513 9.264 0.249 1 1 466 . 20 1 1 A 42 42 ALA HA H 40 5.154 5.153 0.001 1 1 470 . 20 1 1 A 42 42 ALA C C 40 175.944 175.746 0.198 1 1 471 . 20 1 1 A 42 42 ALA CA C 40 50.591 50.377 0.214 1 1 472 . 20 1 1 A 42 42 ALA CB C 40 22.432 23.285 -0.853 1 1 473 . 20 1 1 A 42 42 ALA N N 40 128.406 128.532 -0.126 1 1 474 . 20 1 1 A 43 43 ARG H H 41 7.717 8.328 -0.611 1 1 475 . 20 1 1 A 43 43 ARG HA H 41 4.979 4.670 0.309 1 1 482 . 20 1 1 A 43 43 ARG C C 41 175.510 176.145 -0.635 1 1 483 . 20 1 1 A 43 43 ARG CA C 41 54.162 55.356 -1.194 1 1 484 . 20 1 1 A 43 43 ARG CB C 41 31.200 31.644 -0.444 1 1 487 . 20 1 1 A 43 43 ARG N N 41 121.663 120.757 0.906 1 1 488 . 20 1 1 A 44 44 LEU H H 42 9.163 8.576 0.587 1 1 489 . 20 1 1 A 44 44 LEU HA H 42 5.033 4.663 0.370 1 1 499 . 20 1 1 A 44 44 LEU C C 42 177.840 177.821 0.019 1 1 500 . 20 1 1 A 44 44 LEU CA C 42 54.724 55.506 -0.782 1 1 501 . 20 1 1 A 44 44 LEU CB C 42 41.712 41.885 -0.173 1 1 505 . 20 1 1 A 44 44 LEU N N 42 129.087 125.979 3.108 1 1 506 . 20 1 1 A 45 45 LYS H H 43 8.417 8.643 -0.226 1 1 507 . 20 1 1 A 45 45 LYS HA H 43 3.950 4.043 -0.093 1 1 516 . 20 1 1 A 45 45 LYS CA C 43 59.016 59.074 -0.058 1 1 517 . 20 1 1 A 45 45 LYS CB C 43 34.102 32.880 1.222 1 1 520 . 20 1 1 A 45 45 LYS N N 43 119.674 123.014 -3.340 1 1 521 . 20 1 1 A 48 48 ASN HA H 46 4.723 4.949 -0.226 1 1 526 . 20 1 1 A 48 48 ASN C C 46 175.098 175.230 -0.132 1 1 527 . 20 1 1 A 48 48 ASN CA C 46 54.764 54.067 0.697 1 1 528 . 20 1 1 A 48 48 ASN CB C 46 39.265 40.454 -1.189 1 1 530 . 20 1 1 A 49 49 ARG H H 47 7.919 7.852 0.067 1 1 531 . 20 1 1 A 49 49 ARG HA H 47 4.353 4.626 -0.273 1 1 538 . 20 1 1 A 49 49 ARG C C 47 175.601 174.298 1.303 1 1 539 . 20 1 1 A 49 49 ARG CA C 47 57.051 54.782 2.269 1 1 540 . 20 1 1 A 49 49 ARG CB C 47 32.121 30.732 1.389 1 1 543 . 20 1 1 A 49 49 ARG N N 47 119.826 113.309 6.517 1 1 544 . 20 1 1 A 50 50 GLN H H 48 8.547 8.505 0.042 1 1 545 . 20 1 1 A 50 50 GLN HA H 48 5.456 4.857 0.599 1 1 552 . 20 1 1 A 50 50 GLN C C 48 175.578 175.460 0.118 1 1 553 . 20 1 1 A 50 50 GLN CA C 48 55.125 54.966 0.159 1 1 554 . 20 1 1 A 50 50 GLN CB C 48 32.121 30.800 1.321 1 1 556 . 20 1 1 A 50 50 GLN N N 48 120.767 118.312 2.455 1 1 558 . 20 1 1 A 51 51 VAL H H 49 8.630 8.925 -0.295 1 1 559 . 20 1 1 A 51 51 VAL HA H 49 4.826 4.828 -0.002 1 1 567 . 20 1 1 A 51 51 VAL C C 49 175.258 174.318 0.940 1 1 568 . 20 1 1 A 51 51 VAL CA C 49 59.338 58.851 0.487 1 1 569 . 20 1 1 A 51 51 VAL CB C 49 36.155 35.533 0.622 1 1 572 . 20 1 1 A 51 51 VAL N N 49 116.678 114.839 1.839 1 1 573 . 20 1 1 A 52 52 CYS H H 50 9.100 8.564 0.536 1 1 574 . 20 1 1 A 52 52 CYS HA H 50 5.301 5.378 -0.077 1 1 577 . 20 1 1 A 52 52 CYS C C 50 174.527 173.283 1.244 1 1 578 . 20 1 1 A 52 52 CYS CA C 50 58.054 54.892 3.162 1 1 579 . 20 1 1 A 52 52 CYS CB C 50 43.375 43.379 -0.004 1 1 580 . 20 1 1 A 52 52 CYS N N 50 124.549 120.232 4.317 1 1 581 . 20 1 1 A 53 53 ILE H H 51 8.485 9.655 -1.170 1 1 582 . 20 1 1 A 53 53 ILE HA H 51 4.964 4.663 0.301 1 1 592 . 20 1 1 A 53 53 ILE C C 51 173.019 175.171 -2.152 1 1 593 . 20 1 1 A 53 53 ILE CA C 51 58.897 59.936 -1.039 1 1 594 . 20 1 1 A 53 53 ILE CB C 51 42.201 40.975 1.226 1 1 598 . 20 1 1 A 53 53 ILE N N 51 122.581 125.317 -2.736 1 1 599 . 20 1 1 A 54 54 ASP H H 52 7.661 8.475 -0.814 1 1 600 . 20 1 1 A 54 54 ASP HA H 52 3.642 4.830 -1.188 1 1 603 . 20 1 1 A 54 54 ASP CA C 52 51.574 52.067 -0.493 1 1 604 . 20 1 1 A 54 54 ASP CB C 52 42.515 42.105 0.410 1 1 605 . 20 1 1 A 54 54 ASP N N 52 125.772 127.030 -1.258 1 1 606 . 20 1 1 A 55 55 PRO HA H 53 4.025 4.371 -0.346 1 1 613 . 20 1 1 A 55 55 PRO C C 53 176.126 177.010 -0.884 1 1 614 . 20 1 1 A 55 55 PRO CA C 53 63.993 64.034 -0.041 1 1 615 . 20 1 1 A 55 55 PRO CB C 53 33.002 31.532 1.470 1 1 618 . 20 1 1 A 56 56 LYS H H 54 7.931 8.563 -0.632 1 1 619 . 20 1 1 A 56 56 LYS HA H 54 3.988 4.364 -0.376 1 1 628 . 20 1 1 A 56 56 LYS C C 54 177.931 176.417 1.514 1 1 629 . 20 1 1 A 56 56 LYS CA C 54 56.770 55.879 0.891 1 1 630 . 20 1 1 A 56 56 LYS CB C 54 32.023 32.900 -0.877 1 1 634 . 20 1 1 A 56 56 LYS N N 54 112.924 115.326 -2.402 1 1 635 . 20 1 1 A 57 57 LEU H H 55 7.162 7.473 -0.311 1 1 636 . 20 1 1 A 57 57 LEU HA H 55 4.059 4.112 -0.053 1 1 646 . 20 1 1 A 57 57 LEU C C 55 179.416 177.686 1.730 1 1 647 . 20 1 1 A 57 57 LEU CA C 55 56.088 54.880 1.208 1 1 648 . 20 1 1 A 57 57 LEU CB C 55 42.191 42.465 -0.274 1 1 652 . 20 1 1 A 57 57 LEU N N 55 120.593 122.591 -1.998 1 1 653 . 20 1 1 A 58 58 LYS H H 56 8.720 8.998 -0.278 1 1 654 . 20 1 1 A 58 58 LYS HA H 56 3.920 3.854 0.066 1 1 663 . 20 1 1 A 58 58 LYS C C 56 178.937 178.020 0.917 1 1 664 . 20 1 1 A 58 58 LYS CA C 56 60.301 59.918 0.383 1 1 665 . 20 1 1 A 58 58 LYS CB C 56 32.121 32.476 -0.355 1 1 669 . 20 1 1 A 58 58 LYS N N 56 125.479 125.039 0.440 1 1 670 . 20 1 1 A 59 59 TRP H H 57 7.811 8.319 -0.508 1 1 671 . 20 1 1 A 59 59 TRP HA H 57 4.664 4.479 0.185 1 1 680 . 20 1 1 A 59 59 TRP C C 57 178.868 179.279 -0.411 1 1 681 . 20 1 1 A 59 59 TRP CA C 57 58.897 59.820 -0.923 1 1 682 . 20 1 1 A 59 59 TRP CB C 57 28.036 28.066 -0.030 1 1 688 . 20 1 1 A 59 59 TRP N N 57 113.433 119.252 -5.819 1 1 690 . 20 1 1 A 60 60 ILE H H 58 6.467 7.529 -1.062 1 1 691 . 20 1 1 A 60 60 ILE HA H 58 3.325 3.536 -0.211 1 1 701 . 20 1 1 A 60 60 ILE C C 58 177.726 177.829 -0.103 1 1 702 . 20 1 1 A 60 60 ILE CA C 58 64.314 64.675 -0.361 1 1 703 . 20 1 1 A 60 60 ILE CB C 58 35.897 36.707 -0.810 1 1 707 . 20 1 1 A 60 60 ILE N N 58 124.379 122.404 1.975 1 1 708 . 20 1 1 A 61 61 GLN H H 59 7.624 8.685 -1.061 1 1 709 . 20 1 1 A 61 61 GLN HA H 59 3.755 3.893 -0.138 1 1 716 . 20 1 1 A 61 61 GLN C C 59 178.434 178.706 -0.272 1 1 717 . 20 1 1 A 61 61 GLN CA C 59 59.379 59.477 -0.098 1 1 718 . 20 1 1 A 61 61 GLN CB C 59 28.602 28.298 0.304 1 1 720 . 20 1 1 A 61 61 GLN N N 59 119.070 118.707 0.363 1 1 722 . 20 1 1 A 62 62 GLU H H 60 8.064 8.283 -0.219 1 1 723 . 20 1 1 A 62 62 GLU HA H 60 4.087 4.117 -0.030 1 1 728 . 20 1 1 A 62 62 GLU C C 60 179.051 178.440 0.611 1 1 729 . 20 1 1 A 62 62 GLU CA C 60 59.659 59.317 0.342 1 1 730 . 20 1 1 A 62 62 GLU CB C 60 30.457 29.123 1.334 1 1 732 . 20 1 1 A 62 62 GLU N N 60 117.166 118.523 -1.357 1 1 733 . 20 1 1 A 63 63 TYR H H 61 7.924 7.944 -0.020 1 1 734 . 20 1 1 A 63 63 TYR HA H 61 4.254 4.244 0.010 1 1 741 . 20 1 1 A 63 63 TYR C C 61 178.617 177.713 0.904 1 1 742 . 20 1 1 A 63 63 TYR CA C 61 61.184 61.416 -0.232 1 1 743 . 20 1 1 A 63 63 TYR CB C 61 39.461 38.650 0.811 1 1 746 . 20 1 1 A 63 63 TYR N N 61 121.271 122.211 -0.940 1 1 747 . 20 1 1 A 64 64 LEU H H 62 8.260 9.114 -0.854 1 1 748 . 20 1 1 A 64 64 LEU HA H 62 3.966 3.916 0.050 1 1 758 . 20 1 1 A 64 64 LEU C C 62 179.553 179.161 0.392 1 1 759 . 20 1 1 A 64 64 LEU CA C 62 58.014 58.257 -0.243 1 1 760 . 20 1 1 A 64 64 LEU CB C 62 42.397 41.693 0.704 1 1 764 . 20 1 1 A 64 64 LEU N N 62 116.299 120.077 -3.778 1 1 765 . 20 1 1 A 65 65 GLU H H 63 8.454 8.194 0.260 1 1 766 . 20 1 1 A 65 65 GLU HA H 63 3.854 3.891 -0.037 1 1 771 . 20 1 1 A 65 65 GLU C C 63 179.279 179.250 0.029 1 1 772 . 20 1 1 A 65 65 GLU CA C 63 60.301 59.945 0.356 1 1 773 . 20 1 1 A 65 65 GLU CB C 63 29.870 29.388 0.482 1 1 775 . 20 1 1 A 65 65 GLU N N 63 118.616 117.782 0.834 1 1 776 . 20 1 1 A 66 66 LYS H H 64 7.575 7.807 -0.232 1 1 777 . 20 1 1 A 66 66 LYS HA H 64 4.225 4.047 0.178 1 1 786 . 20 1 1 A 66 66 LYS C C 64 178.457 178.680 -0.223 1 1 787 . 20 1 1 A 66 66 LYS CA C 64 58.496 59.157 -0.661 1 1 788 . 20 1 1 A 66 66 LYS CB C 64 32.400 31.838 0.562 1 1 792 . 20 1 1 A 66 66 LYS N N 64 117.166 118.385 -1.219 1 1 793 . 20 1 1 A 67 67 CYS H H 65 7.918 7.777 0.141 1 1 794 . 20 1 1 A 67 67 CYS HA H 65 4.526 4.074 0.452 1 1 797 . 20 1 1 A 67 67 CYS C C 65 174.893 177.510 -2.617 1 1 798 . 20 1 1 A 67 67 CYS CA C 65 56.329 62.022 -5.693 1 1 799 . 20 1 1 A 67 67 CYS CB C 65 45.235 27.070 18.165 1 1 800 . 20 1 1 A 67 67 CYS N N 65 115.330 118.768 -3.438 1 1 801 . 20 1 1 A 68 68 LEU H H 66 7.559 8.094 -0.535 1 1 802 . 20 1 1 A 68 68 LEU HA H 66 4.491 4.104 0.387 1 1 812 . 20 1 1 A 68 68 LEU C C 66 176.812 178.168 -1.356 1 1 813 . 20 1 1 A 68 68 LEU CA C 66 55.366 58.015 -2.649 1 1 814 . 20 1 1 A 68 68 LEU CB C 66 43.278 41.423 1.855 1 1 818 . 20 1 1 A 68 68 LEU N N 66 120.930 122.406 -1.476 1 1 819 . 20 1 1 A 69 69 ASN H H 67 8.265 7.355 0.910 1 1 820 . 20 1 1 A 69 69 ASN HA H 67 4.669 4.930 -0.261 1 1 825 . 20 1 1 A 69 69 ASN CA C 67 53.761 54.770 -1.009 1 1 826 . 20 1 1 A 69 69 ASN CB C 67 39.069 40.063 -0.994 1 1 827 . 20 1 1 A 69 69 ASN N N 67 120.279 116.407 3.872 1 1 852 . 20 2 2 B 4 4 GLU H H 102 8.342 7.939 0.403 1 1 853 . 20 2 2 B 4 4 GLU HA H 102 4.282 4.652 -0.370 1 1 858 . 20 2 2 B 4 4 GLU C C 102 177.132 176.131 1.001 1 1 859 . 20 2 2 B 4 4 GLU CA C 102 57.410 55.849 1.561 1 1 861 . 20 2 2 B 4 4 GLU N N 102 121.884 119.660 2.224 1 1 862 . 20 2 2 B 5 5 GLY H H 103 8.331 8.410 -0.079 1 1 863 . 20 2 2 B 5 5 GLY HA2 H 103 3.960 4.168 -0.208 1 1 864 . 20 2 2 B 5 5 GLY HA3 H 103 3.960 4.171 -0.211 1 1 865 . 20 2 2 B 5 5 GLY C C 103 174.207 174.227 -0.020 1 1 866 . 20 2 2 B 5 5 GLY CA C 103 45.731 45.457 0.274 1 1 867 . 20 2 2 B 5 5 GLY N N 103 110.055 112.419 -2.364 1 1 868 . 20 2 2 B 6 6 ILE H H 104 7.831 8.094 -0.263 1 1 869 . 20 2 2 B 6 6 ILE HA H 104 4.286 4.180 0.106 1 1 879 . 20 2 2 B 6 6 ILE C C 104 176.401 174.726 1.675 1 1 880 . 20 2 2 B 6 6 ILE CA C 104 61.558 60.875 0.683 1 1 881 . 20 2 2 B 6 6 ILE CB C 104 39.436 36.426 3.010 1 1 885 . 20 2 2 B 6 6 ILE N N 104 119.606 121.890 -2.284 1 1 886 . 20 2 2 B 7 7 SER H H 105 8.350 8.388 -0.038 1 1 887 . 20 2 2 B 7 7 SER HA H 105 4.545 5.168 -0.623 1 1 890 . 20 2 2 B 7 7 SER C C 105 174.550 173.505 1.045 1 1 891 . 20 2 2 B 7 7 SER CA C 105 58.667 56.411 2.256 1 1 892 . 20 2 2 B 7 7 SER CB C 105 64.072 65.265 -1.193 1 1 893 . 20 2 2 B 7 7 SER N N 105 119.853 122.766 -2.913 1 1 894 . 20 2 2 B 8 8 ILE H H 106 7.921 8.765 -0.844 1 1 895 . 20 2 2 B 8 8 ILE HA H 106 4.205 4.025 0.180 1 1 905 . 20 2 2 B 8 8 ILE C C 106 175.921 176.077 -0.156 1 1 906 . 20 2 2 B 8 8 ILE CA C 106 61.935 60.800 1.135 1 1 907 . 20 2 2 B 8 8 ILE CB C 106 39.436 38.072 1.364 1 1 911 . 20 2 2 B 8 8 ILE N N 106 121.730 128.621 -6.891 1 1 912 . 20 2 2 B 9 9 TYR H H 107 8.166 8.397 -0.231 1 1 913 . 20 2 2 B 9 9 TYR HA H 107 4.713 4.587 0.126 1 1 920 . 20 2 2 B 9 9 TYR C C 107 176.058 175.662 0.396 1 1 921 . 20 2 2 B 9 9 TYR CA C 107 58.165 57.674 0.491 1 1 922 . 20 2 2 B 9 9 TYR CB C 107 39.436 38.619 0.817 1 1 925 . 20 2 2 B 9 9 TYR N N 107 123.598 124.197 -0.599 1 1 926 . 20 2 2 B 10 10 THR H H 108 7.961 8.084 -0.123 1 1 927 . 20 2 2 B 10 10 THR HA H 108 4.433 4.314 0.119 1 1 932 . 20 2 2 B 10 10 THR C C 108 174.459 174.928 -0.469 1 1 933 . 20 2 2 B 10 10 THR CA C 108 62.061 64.364 -2.303 1 1 934 . 20 2 2 B 10 10 THR CB C 108 70.608 67.629 2.979 1 1 936 . 20 2 2 B 10 10 THR N N 108 115.642 111.597 4.045 1 1 937 . 20 2 2 B 11 11 SER H H 109 8.211 8.684 -0.473 1 1 938 . 20 2 2 B 11 11 SER HA H 109 4.507 4.728 -0.221 1 1 941 . 20 2 2 B 11 11 SER C C 109 174.504 174.115 0.389 1 1 942 . 20 2 2 B 11 11 SER CA C 109 58.919 58.210 0.709 1 1 943 . 20 2 2 B 11 11 SER CB C 109 64.198 63.316 0.882 1 1 944 . 20 2 2 B 11 11 SER N N 109 117.260 118.537 -1.277 1 1 945 . 20 2 2 B 12 12 ASP H H 110 8.351 8.283 0.068 1 1 946 . 20 2 2 B 12 12 ASP HA H 110 4.631 4.811 -0.180 1 1 949 . 20 2 2 B 12 12 ASP C C 110 176.058 175.485 0.573 1 1 950 . 20 2 2 B 12 12 ASP CA C 110 55.022 54.706 0.316 1 1 951 . 20 2 2 B 12 12 ASP CB C 110 41.825 41.162 0.663 1 1 952 . 20 2 2 B 12 12 ASP N N 110 122.020 120.177 1.843 1 1 953 . 20 2 2 B 13 13 ASN H H 111 8.230 7.967 0.263 1 1 954 . 20 2 2 B 13 13 ASN HA H 111 4.726 4.944 -0.218 1 1 957 . 20 2 2 B 13 13 ASN C C 111 175.030 175.648 -0.618 1 1 958 . 20 2 2 B 13 13 ASN CA C 111 53.765 52.383 1.382 1 1 959 . 20 2 2 B 13 13 ASN CB C 111 39.562 39.847 -0.285 1 1 960 . 20 2 2 B 13 13 ASN N N 111 118.317 117.221 1.096 1 1 961 . 20 2 2 B 14 14 TYR H H 112 8.101 9.281 -1.180 1 1 962 . 20 2 2 B 14 14 TYR HA H 112 4.638 4.527 0.111 1 1 969 . 20 2 2 B 14 14 TYR C C 112 176.081 175.177 0.904 1 1 970 . 20 2 2 B 14 14 TYR CA C 112 58.793 59.303 -0.510 1 1 971 . 20 2 2 B 14 14 TYR CB C 112 39.436 38.315 1.121 1 1 974 . 20 2 2 B 14 14 TYR N N 112 120.850 120.819 0.031 1 1 975 . 20 2 2 B 15 15 THR H H 113 7.879 9.182 -1.303 1 1 976 . 20 2 2 B 15 15 THR HA H 113 4.284 4.059 0.225 1 1 981 . 20 2 2 B 15 15 THR C C 113 174.413 173.715 0.698 1 1 982 . 20 2 2 B 15 15 THR CA C 113 62.187 63.364 -1.177 1 1 983 . 20 2 2 B 15 15 THR CB C 113 70.341 66.736 3.605 1 1 985 . 20 2 2 B 15 15 THR N N 113 116.126 113.753 2.373 1 1 986 . 20 2 2 B 16 16 GLU H H 114 8.253 7.934 0.319 1 1 987 . 20 2 2 B 16 16 GLU HA H 114 4.256 4.100 0.156 1 1 992 . 20 2 2 B 16 16 GLU C C 114 176.766 175.905 0.861 1 1 993 . 20 2 2 B 16 16 GLU CA C 114 57.410 56.198 1.212 1 1 994 . 20 2 2 B 16 16 GLU CB C 114 30.620 29.795 0.825 1 1 996 . 20 2 2 B 16 16 GLU N N 114 123.052 120.997 2.055 1 1 997 . 20 2 2 B 17 17 GLU H H 115 8.331 8.716 -0.385 1 1 998 . 20 2 2 B 17 17 GLU HA H 115 4.292 4.750 -0.458 1 1 1003 . 20 2 2 B 17 17 GLU C C 115 176.880 176.374 0.506 1 1 1004 . 20 2 2 B 17 17 GLU CA C 115 57.410 55.194 2.216 1 1 1005 . 20 2 2 B 17 17 GLU CB C 115 30.525 30.277 0.248 1 1 1007 . 20 2 2 B 17 17 GLU N N 115 121.688 124.141 -2.453 1 1 1008 . 20 2 2 B 18 18 MET H H 116 8.317 8.726 -0.409 1 1 1009 . 20 2 2 B 18 18 MET HA H 116 4.490 4.056 0.434 1 1 1014 . 20 2 2 B 18 18 MET C C 116 177.086 175.867 1.219 1 1 1015 . 20 2 2 B 18 18 MET CA C 116 56.279 56.071 0.208 1 1 1016 . 20 2 2 B 18 18 MET CB C 116 33.026 31.394 1.632 1 1 1017 . 20 2 2 B 18 18 MET N N 116 121.270 121.452 -0.182 1 1 1018 . 20 2 2 B 19 19 GLY H H 117 8.320 8.134 0.186 1 1 1019 . 20 2 2 B 19 19 GLY HA2 H 117 4.054 4.042 0.012 1 1 1020 . 20 2 2 B 19 19 GLY HA3 H 117 4.054 4.054 0.000 1 1 1021 . 20 2 2 B 19 19 GLY C C 117 174.481 174.780 -0.299 1 1 1022 . 20 2 2 B 19 19 GLY CA C 117 45.847 44.763 1.084 1 1 1023 . 20 2 2 B 19 19 GLY N N 117 110.055 110.387 -0.332 1 1 1024 . 20 2 2 B 20 20 SER H H 118 8.230 8.857 -0.627 1 1 1025 . 20 2 2 B 20 20 SER HA H 118 4.476 4.262 0.214 1 1 1028 . 20 2 2 B 20 20 SER C C 118 175.327 175.536 -0.209 1 1 1029 . 20 2 2 B 20 20 SER CA C 118 58.919 61.007 -2.088 1 1 1030 . 20 2 2 B 20 20 SER CB C 118 64.575 63.219 1.356 1 1 1031 . 20 2 2 B 20 20 SER N N 118 115.664 114.686 0.978 1 1 1032 . 20 2 2 B 21 21 GLY H H 119 8.371 7.845 0.526 1 1 1033 . 20 2 2 B 21 21 GLY HA2 H 119 3.951 4.073 -0.122 1 1 1034 . 20 2 2 B 21 21 GLY HA3 H 119 3.951 4.075 -0.124 1 1 1035 . 20 2 2 B 21 21 GLY C C 119 174.002 173.230 0.772 1 1 1036 . 20 2 2 B 21 21 GLY CA C 119 45.721 44.756 0.965 1 1 1037 . 20 2 2 B 21 21 GLY N N 119 110.872 106.469 4.403 1 1 1068 . 20 2 2 B 25 25 SER H H 123 8.155 8.748 -0.593 1 1 1069 . 20 2 2 B 25 25 SER HA H 123 4.404 4.614 -0.210 1 1 1072 . 20 2 2 B 25 25 SER C C 123 175.075 173.394 1.681 1 1 1073 . 20 2 2 B 25 25 SER CA C 123 59.347 57.583 1.764 1 1 1074 . 20 2 2 B 25 25 SER CB C 123 63.879 62.748 1.131 1 1 1075 . 20 2 2 B 25 25 SER N N 123 116.126 121.201 -5.075 1 1 1076 . 20 2 2 B 26 26 MET H H 124 8.221 8.395 -0.174 1 1 1077 . 20 2 2 B 26 26 MET HA H 124 4.482 4.955 -0.473 1 1 1082 . 20 2 2 B 26 26 MET C C 124 176.355 173.978 2.377 1 1 1083 . 20 2 2 B 26 26 MET CA C 124 56.279 54.615 1.664 1 1 1084 . 20 2 2 B 26 26 MET CB C 124 32.900 35.695 -2.795 1 1 1086 . 20 2 2 B 26 26 MET N N 124 121.210 126.272 -5.062 1 1 1087 . 20 2 2 B 27 27 LYS H H 125 8.036 8.566 -0.530 1 1 1088 . 20 2 2 B 27 27 LYS HA H 125 4.333 4.882 -0.549 1 1 1097 . 20 2 2 B 27 27 LYS C C 125 176.355 175.394 0.961 1 1 1098 . 20 2 2 B 27 27 LYS CA C 125 56.656 54.657 1.999 1 1 1099 . 20 2 2 B 27 27 LYS CB C 125 33.529 35.671 -2.142 1 1 1103 . 20 2 2 B 27 27 LYS N N 125 121.457 122.155 -0.698 1 1 1104 . 20 2 2 B 28 28 GLU H H 126 8.205 8.804 -0.599 1 1 1105 . 20 2 2 B 28 28 GLU N N 126 122.740 117.515 5.225 1 1 1106 . 20 2 2 B 29 29 PRO HA H 127 4.377 4.464 -0.087 1 1 1113 . 20 2 2 B 29 29 PRO C C 127 176.812 175.553 1.259 1 1 1114 . 20 2 2 B 29 29 PRO CA C 127 63.821 63.185 0.636 1 1 1115 . 20 2 2 B 29 29 PRO CB C 127 32.272 32.026 0.246 1 1 1118 . 20 2 2 B 30 30 ALA H H 128 8.273 8.656 -0.383 1 1 1119 . 20 2 2 B 30 30 ALA HA H 128 4.287 4.640 -0.353 1 1 1123 . 20 2 2 B 30 30 ALA C C 128 177.589 177.369 0.220 1 1 1124 . 20 2 2 B 30 30 ALA CA C 128 52.873 50.920 1.953 1 1 1125 . 20 2 2 B 30 30 ALA CB C 128 19.703 20.084 -0.381 1 1 1126 . 20 2 2 B 30 30 ALA N N 128 123.577 125.388 -1.811 1 1 1127 . 20 2 2 B 31 31 PHE H H 129 8.019 8.956 -0.937 1 1 1128 . 20 2 2 B 31 31 PHE HA H 129 4.621 4.481 0.140 1 1 1135 . 20 2 2 B 31 31 PHE C C 129 175.624 175.495 0.129 1 1 1136 . 20 2 2 B 31 31 PHE CA C 129 58.039 60.137 -2.098 1 1 1137 . 20 2 2 B 31 31 PHE CB C 129 40.055 40.262 -0.207 1 1 1140 . 20 2 2 B 31 31 PHE N N 129 118.994 125.925 -6.931 1 1 1141 . 20 2 2 B 32 32 ARG H H 130 8.042 7.751 0.291 1 1 1142 . 20 2 2 B 32 32 ARG HA H 130 4.332 4.544 -0.212 1 1 1149 . 20 2 2 B 32 32 ARG C C 130 175.875 175.525 0.350 1 1 1150 . 20 2 2 B 32 32 ARG CA C 130 56.154 55.745 0.409 1 1 1151 . 20 2 2 B 32 32 ARG CB C 130 31.643 31.199 0.444 1 1 1154 . 20 2 2 B 32 32 ARG N N 130 122.929 119.670 3.259 1 1 1155 . 20 2 2 B 33 33 GLU H H 131 8.389 8.804 -0.415 1 1 1156 . 20 2 2 B 33 33 GLU HA H 131 4.276 4.488 -0.212 1 1 1161 . 20 2 2 B 33 33 GLU C C 131 176.766 175.358 1.408 1 1 1162 . 20 2 2 B 33 33 GLU CA C 131 57.285 56.904 0.381 1 1 1163 . 20 2 2 B 33 33 GLU CB C 131 30.512 30.359 0.153 1 1 1165 . 20 2 2 B 33 33 GLU N N 131 122.719 128.444 -5.725 1 1 1166 . 20 2 2 B 34 34 GLU H H 132 8.502 8.431 0.071 1 1 1167 . 20 2 2 B 34 34 GLU HA H 132 4.275 4.642 -0.367 1 1 1172 . 20 2 2 B 34 34 GLU C C 132 176.560 176.326 0.234 1 1 1173 . 20 2 2 B 34 34 GLU CA C 132 57.400 54.902 2.498 1 1 1174 . 20 2 2 B 34 34 GLU CB C 132 30.526 30.875 -0.349 1 1 1176 . 20 2 2 B 34 34 GLU N N 132 122.122 126.538 -4.416 1 1 1177 . 20 2 2 B 35 35 ASN H H 133 8.362 9.001 -0.639 1 1 1178 . 20 2 2 B 35 35 ASN HA H 133 4.693 4.599 0.094 1 1 1181 . 20 2 2 B 35 35 ASN C C 133 175.258 175.350 -0.092 1 1 1182 . 20 2 2 B 35 35 ASN CA C 133 53.765 54.889 -1.124 1 1 1183 . 20 2 2 B 35 35 ASN CB C 133 39.562 38.501 1.061 1 1 1184 . 20 2 2 B 35 35 ASN N N 133 119.552 125.917 -6.365 1 1 1185 . 20 2 2 B 36 36 ALA H H 134 8.155 7.404 0.751 1 1 1186 . 20 2 2 B 36 36 ALA HA H 134 4.289 4.286 0.003 1 1 1190 . 20 2 2 B 36 36 ALA C C 134 177.520 176.412 1.108 1 1 1191 . 20 2 2 B 36 36 ALA CA C 134 52.873 51.940 0.933 1 1 1192 . 20 2 2 B 36 36 ALA CB C 134 19.703 17.947 1.756 1 1 1193 . 20 2 2 B 36 36 ALA N N 134 124.376 121.429 2.947 1 1 1194 . 20 2 2 B 37 37 ASN H H 135 8.210 8.654 -0.444 1 1 1195 . 20 2 2 B 37 37 ASN HA H 135 4.694 4.942 -0.248 1 1 1198 . 20 2 2 B 37 37 ASN C C 135 175.144 174.245 0.899 1 1 1199 . 20 2 2 B 37 37 ASN CA C 135 53.640 52.303 1.337 1 1 1200 . 20 2 2 B 37 37 ASN CB C 135 39.311 40.746 -1.435 1 1 1201 . 20 2 2 B 37 37 ASN N N 135 117.103 121.588 -4.485 1 1 1202 . 20 2 2 B 38 38 PHE H H 136 7.997 8.315 -0.318 1 1 1203 . 20 2 2 B 38 38 PHE HA H 136 4.659 4.010 0.649 1 1 1210 . 20 2 2 B 38 38 PHE C C 136 175.601 176.227 -0.626 1 1 1211 . 20 2 2 B 38 38 PHE CA C 136 58.165 59.150 -0.985 1 1 1212 . 20 2 2 B 38 38 PHE CB C 136 39.939 35.697 4.242 1 1 1215 . 20 2 2 B 38 38 PHE N N 136 120.229 122.115 -1.886 1 1 1216 . 20 2 2 B 39 39 ASN H H 137 8.272 8.237 0.035 1 1 1217 . 20 2 2 B 39 39 ASN HA H 137 4.733 4.691 0.042 1 1 1220 . 20 2 2 B 39 39 ASN C C 137 174.047 176.012 -1.965 1 1 1221 . 20 2 2 B 39 39 ASN CA C 137 53.891 52.628 1.263 1 1 1222 . 20 2 2 B 39 39 ASN CB C 137 39.688 37.923 1.765 1 1 1223 . 20 2 2 B 39 39 ASN N N 137 120.594 116.549 4.045 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 58 1.381 1 2 1 1 1 "RMS(OBS, PRED)" CA 63 1.524 1 3 1 1 1 "RMS(OBS, PRED)" CB 63 3.255 1 4 1 1 1 "RMS(OBS, PRED)" H 59 0.570 1 5 1 1 1 "RMS(OBS, PRED)" HA 63 0.357 1 6 1 1 1 "RMS(OBS, PRED)" N 59 2.860 1 7 1 1 2 "RMS(OBS, PRED)" C 32 1.164 1 8 1 1 2 "RMS(OBS, PRED)" CA 32 1.660 1 9 1 1 2 "RMS(OBS, PRED)" CB 28 1.433 1 10 1 1 2 "RMS(OBS, PRED)" H 32 0.477 1 11 1 1 2 "RMS(OBS, PRED)" HA 35 0.359 1 12 1 1 2 "RMS(OBS, PRED)" N 32 3.792 1 13 1 2 1 "RMS(OBS, PRED)" C 58 1.392 1 14 1 2 1 "RMS(OBS, PRED)" CA 63 1.490 1 15 1 2 1 "RMS(OBS, PRED)" CB 63 3.180 1 16 1 2 1 "RMS(OBS, PRED)" H 59 0.531 1 17 1 2 1 "RMS(OBS, PRED)" HA 63 0.331 1 18 1 2 1 "RMS(OBS, PRED)" N 59 2.877 1 19 1 2 2 "RMS(OBS, PRED)" C 32 1.245 1 20 1 2 2 "RMS(OBS, PRED)" CA 32 1.418 1 21 1 2 2 "RMS(OBS, PRED)" CB 28 1.859 1 22 1 2 2 "RMS(OBS, PRED)" H 32 0.569 1 23 1 2 2 "RMS(OBS, PRED)" HA 35 0.394 1 24 1 2 2 "RMS(OBS, PRED)" N 32 4.047 1 25 1 3 1 "RMS(OBS, PRED)" C 58 1.367 1 26 1 3 1 "RMS(OBS, PRED)" CA 63 1.565 1 27 1 3 1 "RMS(OBS, PRED)" CB 63 3.310 1 28 1 3 1 "RMS(OBS, PRED)" H 59 0.535 1 29 1 3 1 "RMS(OBS, PRED)" HA 63 0.363 1 30 1 3 1 "RMS(OBS, PRED)" N 59 2.719 1 31 1 3 2 "RMS(OBS, PRED)" C 32 1.338 1 32 1 3 2 "RMS(OBS, PRED)" CA 32 1.367 1 33 1 3 2 "RMS(OBS, PRED)" CB 28 1.698 1 34 1 3 2 "RMS(OBS, PRED)" H 32 0.516 1 35 1 3 2 "RMS(OBS, PRED)" HA 35 0.408 1 36 1 3 2 "RMS(OBS, PRED)" N 32 3.118 1 37 1 4 1 "RMS(OBS, PRED)" C 58 1.401 1 38 1 4 1 "RMS(OBS, PRED)" CA 63 1.372 1 39 1 4 1 "RMS(OBS, PRED)" CB 63 3.406 1 40 1 4 1 "RMS(OBS, PRED)" H 59 0.496 1 41 1 4 1 "RMS(OBS, PRED)" HA 63 0.368 1 42 1 4 1 "RMS(OBS, PRED)" N 59 2.777 1 43 1 4 2 "RMS(OBS, PRED)" C 32 1.365 1 44 1 4 2 "RMS(OBS, PRED)" CA 32 1.547 1 45 1 4 2 "RMS(OBS, PRED)" CB 28 1.524 1 46 1 4 2 "RMS(OBS, PRED)" H 32 0.515 1 47 1 4 2 "RMS(OBS, PRED)" HA 35 0.395 1 48 1 4 2 "RMS(OBS, PRED)" N 32 4.126 1 49 1 5 1 "RMS(OBS, PRED)" C 58 1.477 1 50 1 5 1 "RMS(OBS, PRED)" CA 63 1.341 1 51 1 5 1 "RMS(OBS, PRED)" CB 63 3.497 1 52 1 5 1 "RMS(OBS, PRED)" H 59 0.488 1 53 1 5 1 "RMS(OBS, PRED)" HA 63 0.346 1 54 1 5 1 "RMS(OBS, PRED)" N 59 2.719 1 55 1 5 2 "RMS(OBS, PRED)" C 32 1.260 1 56 1 5 2 "RMS(OBS, PRED)" CA 32 1.299 1 57 1 5 2 "RMS(OBS, PRED)" CB 28 1.694 1 58 1 5 2 "RMS(OBS, PRED)" H 32 0.613 1 59 1 5 2 "RMS(OBS, PRED)" HA 35 0.340 1 60 1 5 2 "RMS(OBS, PRED)" N 32 3.347 1 61 1 6 1 "RMS(OBS, PRED)" C 58 1.326 1 62 1 6 1 "RMS(OBS, PRED)" CA 63 1.264 1 63 1 6 1 "RMS(OBS, PRED)" CB 63 3.180 1 64 1 6 1 "RMS(OBS, PRED)" H 59 0.523 1 65 1 6 1 "RMS(OBS, PRED)" HA 63 0.260 1 66 1 6 1 "RMS(OBS, PRED)" N 59 3.211 1 67 1 6 2 "RMS(OBS, PRED)" C 32 1.270 1 68 1 6 2 "RMS(OBS, PRED)" CA 32 1.389 1 69 1 6 2 "RMS(OBS, PRED)" CB 28 1.954 1 70 1 6 2 "RMS(OBS, PRED)" H 32 0.557 1 71 1 6 2 "RMS(OBS, PRED)" HA 35 0.367 1 72 1 6 2 "RMS(OBS, PRED)" N 32 3.571 1 73 1 7 1 "RMS(OBS, PRED)" C 58 1.399 1 74 1 7 1 "RMS(OBS, PRED)" CA 63 1.591 1 75 1 7 1 "RMS(OBS, PRED)" CB 63 3.397 1 76 1 7 1 "RMS(OBS, PRED)" H 59 0.581 1 77 1 7 1 "RMS(OBS, PRED)" HA 63 0.361 1 78 1 7 1 "RMS(OBS, PRED)" N 59 2.848 1 79 1 7 2 "RMS(OBS, PRED)" C 32 1.151 1 80 1 7 2 "RMS(OBS, PRED)" CA 32 1.610 1 81 1 7 2 "RMS(OBS, PRED)" CB 28 1.657 1 82 1 7 2 "RMS(OBS, PRED)" H 32 0.476 1 83 1 7 2 "RMS(OBS, PRED)" HA 35 0.352 1 84 1 7 2 "RMS(OBS, PRED)" N 32 3.832 1 85 1 8 1 "RMS(OBS, PRED)" C 58 1.340 1 86 1 8 1 "RMS(OBS, PRED)" CA 63 1.448 1 87 1 8 1 "RMS(OBS, PRED)" CB 63 3.537 1 88 1 8 1 "RMS(OBS, PRED)" H 59 0.573 1 89 1 8 1 "RMS(OBS, PRED)" HA 63 0.345 1 90 1 8 1 "RMS(OBS, PRED)" N 59 2.614 1 91 1 8 2 "RMS(OBS, PRED)" C 32 1.113 1 92 1 8 2 "RMS(OBS, PRED)" CA 32 1.505 1 93 1 8 2 "RMS(OBS, PRED)" CB 28 1.511 1 94 1 8 2 "RMS(OBS, PRED)" H 32 0.552 1 95 1 8 2 "RMS(OBS, PRED)" HA 35 0.325 1 96 1 8 2 "RMS(OBS, PRED)" N 32 3.295 1 97 1 9 1 "RMS(OBS, PRED)" C 58 1.448 1 98 1 9 1 "RMS(OBS, PRED)" CA 63 1.364 1 99 1 9 1 "RMS(OBS, PRED)" CB 63 3.364 1 100 1 9 1 "RMS(OBS, PRED)" H 59 0.591 1 101 1 9 1 "RMS(OBS, PRED)" HA 63 0.354 1 102 1 9 1 "RMS(OBS, PRED)" N 59 2.903 1 103 1 9 2 "RMS(OBS, PRED)" C 32 1.539 1 104 1 9 2 "RMS(OBS, PRED)" CA 32 1.586 1 105 1 9 2 "RMS(OBS, PRED)" CB 28 2.059 1 106 1 9 2 "RMS(OBS, PRED)" H 32 0.436 1 107 1 9 2 "RMS(OBS, PRED)" HA 35 0.395 1 108 1 9 2 "RMS(OBS, PRED)" N 32 3.236 1 109 1 10 1 "RMS(OBS, PRED)" C 58 1.406 1 110 1 10 1 "RMS(OBS, PRED)" CA 63 1.371 1 111 1 10 1 "RMS(OBS, PRED)" CB 63 3.328 1 112 1 10 1 "RMS(OBS, PRED)" H 59 0.515 1 113 1 10 1 "RMS(OBS, PRED)" HA 63 0.311 1 114 1 10 1 "RMS(OBS, PRED)" N 59 2.723 1 115 1 10 2 "RMS(OBS, PRED)" C 32 1.174 1 116 1 10 2 "RMS(OBS, PRED)" CA 32 1.492 1 117 1 10 2 "RMS(OBS, PRED)" CB 28 1.767 1 118 1 10 2 "RMS(OBS, PRED)" H 32 0.549 1 119 1 10 2 "RMS(OBS, PRED)" HA 35 0.339 1 120 1 10 2 "RMS(OBS, PRED)" N 32 3.339 1 121 1 11 1 "RMS(OBS, PRED)" C 58 1.340 1 122 1 11 1 "RMS(OBS, PRED)" CA 63 1.488 1 123 1 11 1 "RMS(OBS, PRED)" CB 63 3.511 1 124 1 11 1 "RMS(OBS, PRED)" H 59 0.524 1 125 1 11 1 "RMS(OBS, PRED)" HA 63 0.344 1 126 1 11 1 "RMS(OBS, PRED)" N 59 2.802 1 127 1 11 2 "RMS(OBS, PRED)" C 32 1.278 1 128 1 11 2 "RMS(OBS, PRED)" CA 32 1.637 1 129 1 11 2 "RMS(OBS, PRED)" CB 28 2.261 1 130 1 11 2 "RMS(OBS, PRED)" H 32 0.564 1 131 1 11 2 "RMS(OBS, PRED)" HA 35 0.406 1 132 1 11 2 "RMS(OBS, PRED)" N 32 3.775 1 133 1 12 1 "RMS(OBS, PRED)" C 58 1.367 1 134 1 12 1 "RMS(OBS, PRED)" CA 63 1.427 1 135 1 12 1 "RMS(OBS, PRED)" CB 63 3.199 1 136 1 12 1 "RMS(OBS, PRED)" H 59 0.568 1 137 1 12 1 "RMS(OBS, PRED)" HA 63 0.335 1 138 1 12 1 "RMS(OBS, PRED)" N 59 3.108 1 139 1 12 2 "RMS(OBS, PRED)" C 32 1.306 1 140 1 12 2 "RMS(OBS, PRED)" CA 32 1.557 1 141 1 12 2 "RMS(OBS, PRED)" CB 28 1.618 1 142 1 12 2 "RMS(OBS, PRED)" H 32 0.515 1 143 1 12 2 "RMS(OBS, PRED)" HA 35 0.347 1 144 1 12 2 "RMS(OBS, PRED)" N 32 3.235 1 145 1 13 1 "RMS(OBS, PRED)" C 58 1.400 1 146 1 13 1 "RMS(OBS, PRED)" CA 63 1.480 1 147 1 13 1 "RMS(OBS, PRED)" CB 63 3.358 1 148 1 13 1 "RMS(OBS, PRED)" H 59 0.567 1 149 1 13 1 "RMS(OBS, PRED)" HA 63 0.320 1 150 1 13 1 "RMS(OBS, PRED)" N 59 2.750 1 151 1 13 2 "RMS(OBS, PRED)" C 32 1.240 1 152 1 13 2 "RMS(OBS, PRED)" CA 32 1.420 1 153 1 13 2 "RMS(OBS, PRED)" CB 28 1.852 1 154 1 13 2 "RMS(OBS, PRED)" H 32 0.544 1 155 1 13 2 "RMS(OBS, PRED)" HA 35 0.318 1 156 1 13 2 "RMS(OBS, PRED)" N 32 3.110 1 157 1 14 1 "RMS(OBS, PRED)" C 58 1.438 1 158 1 14 1 "RMS(OBS, PRED)" CA 63 1.430 1 159 1 14 1 "RMS(OBS, PRED)" CB 63 3.236 1 160 1 14 1 "RMS(OBS, PRED)" H 59 0.576 1 161 1 14 1 "RMS(OBS, PRED)" HA 63 0.339 1 162 1 14 1 "RMS(OBS, PRED)" N 59 2.708 1 163 1 14 2 "RMS(OBS, PRED)" C 32 1.136 1 164 1 14 2 "RMS(OBS, PRED)" CA 32 1.541 1 165 1 14 2 "RMS(OBS, PRED)" CB 28 1.811 1 166 1 14 2 "RMS(OBS, PRED)" H 32 0.530 1 167 1 14 2 "RMS(OBS, PRED)" HA 35 0.402 1 168 1 14 2 "RMS(OBS, PRED)" N 32 3.962 1 169 1 15 1 "RMS(OBS, PRED)" C 58 1.439 1 170 1 15 1 "RMS(OBS, PRED)" CA 63 1.502 1 171 1 15 1 "RMS(OBS, PRED)" CB 63 3.256 1 172 1 15 1 "RMS(OBS, PRED)" H 59 0.602 1 173 1 15 1 "RMS(OBS, PRED)" HA 63 0.318 1 174 1 15 1 "RMS(OBS, PRED)" N 59 2.901 1 175 1 15 2 "RMS(OBS, PRED)" C 32 1.094 1 176 1 15 2 "RMS(OBS, PRED)" CA 32 1.466 1 177 1 15 2 "RMS(OBS, PRED)" CB 28 1.793 1 178 1 15 2 "RMS(OBS, PRED)" H 32 0.506 1 179 1 15 2 "RMS(OBS, PRED)" HA 35 0.305 1 180 1 15 2 "RMS(OBS, PRED)" N 32 3.854 1 181 1 16 1 "RMS(OBS, PRED)" C 58 1.501 1 182 1 16 1 "RMS(OBS, PRED)" CA 63 1.202 1 183 1 16 1 "RMS(OBS, PRED)" CB 63 3.496 1 184 1 16 1 "RMS(OBS, PRED)" H 59 0.580 1 185 1 16 1 "RMS(OBS, PRED)" HA 63 0.334 1 186 1 16 1 "RMS(OBS, PRED)" N 59 2.911 1 187 1 16 2 "RMS(OBS, PRED)" C 32 1.073 1 188 1 16 2 "RMS(OBS, PRED)" CA 32 1.434 1 189 1 16 2 "RMS(OBS, PRED)" CB 28 1.558 1 190 1 16 2 "RMS(OBS, PRED)" H 32 0.513 1 191 1 16 2 "RMS(OBS, PRED)" HA 35 0.345 1 192 1 16 2 "RMS(OBS, PRED)" N 32 3.229 1 193 1 17 1 "RMS(OBS, PRED)" C 58 1.495 1 194 1 17 1 "RMS(OBS, PRED)" CA 63 1.485 1 195 1 17 1 "RMS(OBS, PRED)" CB 63 3.670 1 196 1 17 1 "RMS(OBS, PRED)" H 59 0.575 1 197 1 17 1 "RMS(OBS, PRED)" HA 63 0.337 1 198 1 17 1 "RMS(OBS, PRED)" N 59 2.649 1 199 1 17 2 "RMS(OBS, PRED)" C 32 1.484 1 200 1 17 2 "RMS(OBS, PRED)" CA 32 1.384 1 201 1 17 2 "RMS(OBS, PRED)" CB 28 2.073 1 202 1 17 2 "RMS(OBS, PRED)" H 32 0.590 1 203 1 17 2 "RMS(OBS, PRED)" HA 35 0.409 1 204 1 17 2 "RMS(OBS, PRED)" N 32 3.314 1 205 1 18 1 "RMS(OBS, PRED)" C 58 1.384 1 206 1 18 1 "RMS(OBS, PRED)" CA 63 1.589 1 207 1 18 1 "RMS(OBS, PRED)" CB 63 3.279 1 208 1 18 1 "RMS(OBS, PRED)" H 59 0.554 1 209 1 18 1 "RMS(OBS, PRED)" HA 63 0.335 1 210 1 18 1 "RMS(OBS, PRED)" N 59 2.756 1 211 1 18 2 "RMS(OBS, PRED)" C 32 1.034 1 212 1 18 2 "RMS(OBS, PRED)" CA 32 1.361 1 213 1 18 2 "RMS(OBS, PRED)" CB 28 1.964 1 214 1 18 2 "RMS(OBS, PRED)" H 32 0.487 1 215 1 18 2 "RMS(OBS, PRED)" HA 35 0.335 1 216 1 18 2 "RMS(OBS, PRED)" N 32 3.237 1 217 1 19 1 "RMS(OBS, PRED)" C 58 1.383 1 218 1 19 1 "RMS(OBS, PRED)" CA 63 1.464 1 219 1 19 1 "RMS(OBS, PRED)" CB 63 3.508 1 220 1 19 1 "RMS(OBS, PRED)" H 59 0.577 1 221 1 19 1 "RMS(OBS, PRED)" HA 63 0.356 1 222 1 19 1 "RMS(OBS, PRED)" N 59 2.934 1 223 1 19 2 "RMS(OBS, PRED)" C 32 1.460 1 224 1 19 2 "RMS(OBS, PRED)" CA 32 1.423 1 225 1 19 2 "RMS(OBS, PRED)" CB 28 1.838 1 226 1 19 2 "RMS(OBS, PRED)" H 32 0.485 1 227 1 19 2 "RMS(OBS, PRED)" HA 35 0.424 1 228 1 19 2 "RMS(OBS, PRED)" N 32 3.797 1 229 1 20 1 "RMS(OBS, PRED)" C 58 1.407 1 230 1 20 1 "RMS(OBS, PRED)" CA 63 1.372 1 231 1 20 1 "RMS(OBS, PRED)" CB 63 3.485 1 232 1 20 1 "RMS(OBS, PRED)" H 59 0.587 1 233 1 20 1 "RMS(OBS, PRED)" HA 63 0.349 1 234 1 20 1 "RMS(OBS, PRED)" N 59 2.997 1 235 1 20 2 "RMS(OBS, PRED)" C 32 0.987 1 236 1 20 2 "RMS(OBS, PRED)" CA 32 1.431 1 237 1 20 2 "RMS(OBS, PRED)" CB 28 1.767 1 238 1 20 2 "RMS(OBS, PRED)" H 32 0.542 1 239 1 20 2 "RMS(OBS, PRED)" HA 35 0.288 1 240 1 20 2 "RMS(OBS, PRED)" N 32 3.653 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 12 . 1 1 A 4 4 PRO CB C 2 32.476 31.724 0.752 2 1 16 . 1 1 A 5 5 VAL HA H 3 4.152 4.462 -0.310 2 1 26 . 1 1 A 5 5 VAL CB C 3 33.455 33.350 0.105 2 1 169 . 1 1 A 19 19 HIS HA H 17 4.859 4.839 0.020 2 1 176 . 1 1 A 19 19 HIS CB C 17 29.870 28.636 1.234 2 1 195 . 1 1 A 21 21 ALA HA H 19 4.372 4.304 0.068 2 1 201 . 1 1 A 21 21 ALA CB C 19 19.790 19.502 0.288 2 1 203 . 1 1 A 22 22 ARG H H 20 7.790 8.069 -0.279 2 1 204 . 1 1 A 22 22 ARG HA H 20 2.445 2.970 -0.525 2 1 211 . 1 1 A 22 22 ARG C C 20 178.365 177.325 1.040 2 1 212 . 1 1 A 22 22 ARG CA C 20 59.379 58.116 1.263 2 1 213 . 1 1 A 22 22 ARG CB C 20 29.572 29.100 0.472 2 1 216 . 1 1 A 22 22 ARG N N 20 124.365 123.194 1.171 2 1 217 . 1 1 A 23 23 ALA H H 21 8.120 7.541 0.579 2 1 218 . 1 1 A 23 23 ALA HA H 21 4.060 4.104 -0.044 2 1 222 . 1 1 A 23 23 ALA C C 21 178.000 177.928 0.072 2 1 223 . 1 1 A 23 23 ALA CA C 21 54.100 53.561 0.539 2 1 224 . 1 1 A 23 23 ALA CB C 21 18.713 18.395 0.318 2 1 225 . 1 1 A 23 23 ALA N N 21 117.156 121.342 -4.186 2 1 226 . 1 1 A 24 24 ASN H H 22 7.717 7.745 -0.028 2 1 227 . 1 1 A 24 24 ASN HA H 22 5.010 4.760 0.251 2 1 232 . 1 1 A 24 24 ASN C C 22 174.938 174.775 0.163 2 1 233 . 1 1 A 24 24 ASN CA C 22 52.869 52.882 -0.013 2 1 234 . 1 1 A 24 24 ASN CB C 22 40.573 38.910 1.662 2 1 235 . 1 1 A 24 24 ASN N N 22 112.819 115.172 -2.353 2 1 282 . 1 1 A 28 28 LEU HA H 26 5.190 5.211 -0.021 2 1 292 . 1 1 A 28 28 LEU C C 26 175.510 175.473 0.037 2 1 293 . 1 1 A 28 28 LEU CA C 26 53.480 53.474 0.006 2 1 294 . 1 1 A 28 28 LEU CB C 26 45.235 45.215 0.020 2 1 299 . 1 1 A 29 29 LYS H H 27 9.572 9.015 0.557 2 1 315 . 1 1 A 29 29 LYS N N 27 123.488 122.877 0.611 2 1 432 . 1 1 A 40 40 ILE H H 38 8.893 8.480 0.413 2 1 433 . 1 1 A 40 40 ILE HA H 38 5.068 4.967 0.101 2 1 443 . 1 1 A 40 40 ILE C C 38 174.390 175.196 -0.806 2 1 444 . 1 1 A 40 40 ILE CA C 38 60.582 59.947 0.634 2 1 445 . 1 1 A 40 40 ILE CB C 38 40.048 39.636 0.412 2 1 449 . 1 1 A 40 40 ILE N N 38 123.962 125.478 -1.516 2 1 450 . 1 1 A 41 41 VAL H H 39 9.120 9.554 -0.434 2 1 451 . 1 1 A 41 41 VAL HA H 39 4.845 4.944 -0.099 2 1 459 . 1 1 A 41 41 VAL C C 39 175.487 174.677 0.810 2 1 460 . 1 1 A 41 41 VAL CA C 39 59.980 60.541 -0.561 2 1 461 . 1 1 A 41 41 VAL CB C 39 35.868 34.439 1.429 2 1 464 . 1 1 A 41 41 VAL N N 39 126.354 126.019 0.335 2 1 465 . 1 1 A 42 42 ALA H H 40 9.513 9.274 0.239 2 1 466 . 1 1 A 42 42 ALA HA H 40 5.154 5.229 -0.075 2 1 470 . 1 1 A 42 42 ALA C C 40 175.944 175.595 0.349 2 1 471 . 1 1 A 42 42 ALA CA C 40 50.591 50.178 0.414 2 1 472 . 1 1 A 42 42 ALA CB C 40 22.432 22.980 -0.548 2 1 473 . 1 1 A 42 42 ALA N N 40 128.406 128.142 0.264 2 1 474 . 1 1 A 43 43 ARG H H 41 7.717 8.187 -0.470 2 1 475 . 1 1 A 43 43 ARG HA H 41 4.979 4.669 0.310 2 1 482 . 1 1 A 43 43 ARG C C 41 175.510 175.739 -0.229 2 1 483 . 1 1 A 43 43 ARG CA C 41 54.162 55.339 -1.177 2 1 484 . 1 1 A 43 43 ARG CB C 41 31.200 31.518 -0.318 2 1 487 . 1 1 A 43 43 ARG N N 41 121.663 121.329 0.334 2 1 488 . 1 1 A 44 44 LEU H H 42 9.163 8.616 0.547 2 1 489 . 1 1 A 44 44 LEU HA H 42 5.033 4.532 0.501 2 1 499 . 1 1 A 44 44 LEU C C 42 177.840 177.586 0.254 2 1 500 . 1 1 A 44 44 LEU CA C 42 54.724 54.848 -0.124 2 1 501 . 1 1 A 44 44 LEU CB C 42 41.712 42.271 -0.559 2 1 505 . 1 1 A 44 44 LEU N N 42 129.087 125.808 3.278 2 1 506 . 1 1 A 45 45 LYS H H 43 8.417 8.804 -0.387 2 1 507 . 1 1 A 45 45 LYS HA H 43 3.950 4.134 -0.184 2 1 516 . 1 1 A 45 45 LYS CA C 43 59.016 57.815 1.201 2 1 517 . 1 1 A 45 45 LYS CB C 43 34.102 32.754 1.348 2 1 520 . 1 1 A 45 45 LYS N N 43 119.674 122.609 -2.935 2 1 521 . 1 1 A 48 48 ASN HA H 46 4.723 4.974 -0.251 2 1 526 . 1 1 A 48 48 ASN C C 46 175.098 174.715 0.383 2 1 527 . 1 1 A 48 48 ASN CA C 46 54.764 53.360 1.404 2 1 528 . 1 1 A 48 48 ASN CB C 46 39.265 40.570 -1.305 2 1 530 . 1 1 A 49 49 ARG H H 47 7.919 8.259 -0.340 2 1 531 . 1 1 A 49 49 ARG HA H 47 4.353 4.798 -0.445 2 1 538 . 1 1 A 49 49 ARG C C 47 175.601 174.438 1.163 2 1 539 . 1 1 A 49 49 ARG CA C 47 57.051 54.698 2.353 2 1 540 . 1 1 A 49 49 ARG CB C 47 32.121 31.609 0.512 2 1 543 . 1 1 A 49 49 ARG N N 47 119.826 115.736 4.090 2 1 544 . 1 1 A 50 50 GLN H H 48 8.547 8.524 0.023 2 1 545 . 1 1 A 50 50 GLN HA H 48 5.456 5.028 0.428 2 1 552 . 1 1 A 50 50 GLN C C 48 175.578 175.153 0.425 2 1 553 . 1 1 A 50 50 GLN CA C 48 55.125 54.640 0.485 2 1 554 . 1 1 A 50 50 GLN CB C 48 32.121 30.927 1.194 2 1 556 . 1 1 A 50 50 GLN N N 48 120.767 117.456 3.311 2 1 558 . 1 1 A 51 51 VAL H H 49 8.630 9.069 -0.439 2 1 559 . 1 1 A 51 51 VAL HA H 49 4.826 4.825 0.001 2 1 567 . 1 1 A 51 51 VAL C C 49 175.258 174.458 0.800 2 1 568 . 1 1 A 51 51 VAL CA C 49 59.338 59.333 0.005 2 1 569 . 1 1 A 51 51 VAL CB C 49 36.155 34.895 1.260 2 1 572 . 1 1 A 51 51 VAL N N 49 116.678 116.901 -0.223 2 1 573 . 1 1 A 52 52 CYS H H 50 9.100 8.712 0.388 2 1 574 . 1 1 A 52 52 CYS HA H 50 5.301 5.248 0.053 2 1 577 . 1 1 A 52 52 CYS C C 50 174.527 173.378 1.149 2 1 578 . 1 1 A 52 52 CYS CA C 50 58.054 55.107 2.947 2 1 579 . 1 1 A 52 52 CYS CB C 50 43.375 43.208 0.167 2 1 580 . 1 1 A 52 52 CYS N N 50 124.549 120.571 3.978 2 1 581 . 1 1 A 53 53 ILE H H 51 8.485 9.551 -1.066 2 1 582 . 1 1 A 53 53 ILE HA H 51 4.964 4.766 0.198 2 1 592 . 1 1 A 53 53 ILE C C 51 173.019 175.032 -2.013 2 1 593 . 1 1 A 53 53 ILE CA C 51 58.897 59.974 -1.077 2 1 594 . 1 1 A 53 53 ILE CB C 51 42.201 40.706 1.495 2 1 598 . 1 1 A 53 53 ILE N N 51 122.581 125.791 -3.210 2 1 599 . 1 1 A 54 54 ASP H H 52 7.661 8.395 -0.734 2 1 600 . 1 1 A 54 54 ASP HA H 52 3.642 4.463 -0.821 2 1 603 . 1 1 A 54 54 ASP CA C 52 51.574 51.804 -0.230 2 1 604 . 1 1 A 54 54 ASP CB C 52 42.515 41.974 0.541 2 1 605 . 1 1 A 54 54 ASP N N 52 125.772 126.725 -0.954 2 1 606 . 1 1 A 55 55 PRO HA H 53 4.025 4.277 -0.252 2 1 613 . 1 1 A 55 55 PRO C C 53 176.126 176.903 -0.777 2 1 614 . 1 1 A 55 55 PRO CA C 53 63.993 64.024 -0.031 2 1 615 . 1 1 A 55 55 PRO CB C 53 33.002 31.624 1.378 2 1 618 . 1 1 A 56 56 LYS H H 54 7.931 7.950 -0.019 2 1 619 . 1 1 A 56 56 LYS HA H 54 3.988 4.370 -0.382 2 1 628 . 1 1 A 56 56 LYS C C 54 177.931 176.313 1.618 2 1 629 . 1 1 A 56 56 LYS CA C 54 56.770 56.067 0.703 2 1 630 . 1 1 A 56 56 LYS CB C 54 32.023 33.046 -1.023 2 1 634 . 1 1 A 56 56 LYS N N 54 112.924 115.950 -3.026 2 1 635 . 1 1 A 57 57 LEU H H 55 7.162 7.216 -0.054 2 1 636 . 1 1 A 57 57 LEU HA H 55 4.059 4.052 0.007 2 1 646 . 1 1 A 57 57 LEU C C 55 179.416 177.831 1.585 2 1 647 . 1 1 A 57 57 LEU CA C 55 56.088 55.193 0.895 2 1 648 . 1 1 A 57 57 LEU CB C 55 42.191 42.459 -0.268 2 1 652 . 1 1 A 57 57 LEU N N 55 120.593 121.960 -1.367 2 1 653 . 1 1 A 58 58 LYS H H 56 8.720 8.978 -0.258 2 1 654 . 1 1 A 58 58 LYS HA H 56 3.920 3.838 0.082 2 1 663 . 1 1 A 58 58 LYS C C 56 178.937 178.044 0.893 2 1 664 . 1 1 A 58 58 LYS CA C 56 60.301 59.904 0.397 2 1 665 . 1 1 A 58 58 LYS CB C 56 32.121 32.410 -0.289 2 1 669 . 1 1 A 58 58 LYS N N 56 125.479 125.367 0.112 2 1 670 . 1 1 A 59 59 TRP H H 57 7.811 8.336 -0.525 2 1 671 . 1 1 A 59 59 TRP HA H 57 4.664 4.500 0.165 2 1 680 . 1 1 A 59 59 TRP C C 57 178.868 179.324 -0.456 2 1 681 . 1 1 A 59 59 TRP CA C 57 58.897 59.897 -1.000 2 1 682 . 1 1 A 59 59 TRP CB C 57 28.036 28.042 -0.006 2 1 688 . 1 1 A 59 59 TRP N N 57 113.433 119.164 -5.731 2 1 690 . 1 1 A 60 60 ILE H H 58 6.467 7.417 -0.950 2 1 691 . 1 1 A 60 60 ILE HA H 58 3.325 3.477 -0.152 2 1 701 . 1 1 A 60 60 ILE C C 58 177.726 177.796 -0.070 2 1 702 . 1 1 A 60 60 ILE CA C 58 64.314 64.653 -0.339 2 1 703 . 1 1 A 60 60 ILE CB C 58 35.897 36.908 -1.011 2 1 707 . 1 1 A 60 60 ILE N N 58 124.379 122.423 1.956 2 1 708 . 1 1 A 61 61 GLN H H 59 7.624 8.563 -0.939 2 1 709 . 1 1 A 61 61 GLN HA H 59 3.755 3.896 -0.141 2 1 716 . 1 1 A 61 61 GLN C C 59 178.434 178.723 -0.289 2 1 717 . 1 1 A 61 61 GLN CA C 59 59.379 59.413 -0.034 2 1 718 . 1 1 A 61 61 GLN CB C 59 28.602 28.244 0.358 2 1 720 . 1 1 A 61 61 GLN N N 59 119.070 118.463 0.607 2 1 722 . 1 1 A 62 62 GLU H H 60 8.064 8.259 -0.195 2 1 723 . 1 1 A 62 62 GLU HA H 60 4.087 4.091 -0.005 2 1 728 . 1 1 A 62 62 GLU C C 60 179.051 178.519 0.532 2 1 729 . 1 1 A 62 62 GLU CA C 60 59.659 59.401 0.258 2 1 730 . 1 1 A 62 62 GLU CB C 60 30.457 29.369 1.088 2 1 732 . 1 1 A 62 62 GLU N N 60 117.166 119.555 -2.389 2 1 733 . 1 1 A 63 63 TYR H H 61 7.924 8.091 -0.167 2 1 734 . 1 1 A 63 63 TYR HA H 61 4.254 4.256 -0.002 2 1 741 . 1 1 A 63 63 TYR C C 61 178.617 177.525 1.092 2 1 742 . 1 1 A 63 63 TYR CA C 61 61.184 61.511 -0.327 2 1 743 . 1 1 A 63 63 TYR CB C 61 39.461 38.634 0.827 2 1 746 . 1 1 A 63 63 TYR N N 61 121.271 121.834 -0.563 2 1 747 . 1 1 A 64 64 LEU H H 62 8.260 9.103 -0.843 2 1 748 . 1 1 A 64 64 LEU HA H 62 3.966 3.966 0.000 2 1 758 . 1 1 A 64 64 LEU C C 62 179.553 179.082 0.471 2 1 759 . 1 1 A 64 64 LEU CA C 62 58.014 58.253 -0.239 2 1 760 . 1 1 A 64 64 LEU CB C 62 42.397 41.571 0.826 2 1 764 . 1 1 A 64 64 LEU N N 62 116.299 120.143 -3.844 2 1 765 . 1 1 A 65 65 GLU H H 63 8.454 8.313 0.141 2 1 766 . 1 1 A 65 65 GLU HA H 63 3.854 3.925 -0.072 2 1 771 . 1 1 A 65 65 GLU C C 63 179.279 179.038 0.241 2 1 772 . 1 1 A 65 65 GLU CA C 63 60.301 59.847 0.454 2 1 773 . 1 1 A 65 65 GLU CB C 63 29.870 29.310 0.560 2 1 775 . 1 1 A 65 65 GLU N N 63 118.616 118.013 0.603 2 1 776 . 1 1 A 66 66 LYS H H 64 7.575 8.071 -0.496 2 1 777 . 1 1 A 66 66 LYS HA H 64 4.225 4.123 0.102 2 1 786 . 1 1 A 66 66 LYS C C 64 178.457 178.670 -0.213 2 1 787 . 1 1 A 66 66 LYS CA C 64 58.496 59.185 -0.689 2 1 788 . 1 1 A 66 66 LYS CB C 64 32.400 31.946 0.454 2 1 792 . 1 1 A 66 66 LYS N N 64 117.166 118.419 -1.253 2 1 793 . 1 1 A 67 67 CYS H H 65 7.918 8.017 -0.099 2 1 794 . 1 1 A 67 67 CYS HA H 65 4.526 4.155 0.371 2 1 797 . 1 1 A 67 67 CYS C C 65 174.893 177.262 -2.369 2 1 798 . 1 1 A 67 67 CYS CA C 65 56.329 62.448 -6.119 2 1 799 . 1 1 A 67 67 CYS CB C 65 45.235 27.109 18.126 2 1 800 . 1 1 A 67 67 CYS N N 65 115.330 118.391 -3.061 2 1 801 . 1 1 A 68 68 LEU H H 66 7.559 8.208 -0.649 2 1 802 . 1 1 A 68 68 LEU HA H 66 4.491 4.061 0.430 2 1 812 . 1 1 A 68 68 LEU C C 66 176.812 178.105 -1.293 2 1 813 . 1 1 A 68 68 LEU CA C 66 55.366 58.048 -2.682 2 1 814 . 1 1 A 68 68 LEU CB C 66 43.278 41.826 1.452 2 1 818 . 1 1 A 68 68 LEU N N 66 120.930 122.582 -1.652 2 1 819 . 1 1 A 69 69 ASN H H 67 8.265 8.013 0.252 2 1 820 . 1 1 A 69 69 ASN HA H 67 4.669 4.754 -0.085 2 1 825 . 1 1 A 69 69 ASN CA C 67 53.761 55.237 -1.476 2 1 826 . 1 1 A 69 69 ASN CB C 67 39.069 39.764 -0.695 2 1 827 . 1 1 A 69 69 ASN N N 67 120.279 116.438 3.841 2 1 852 . 2 2 B 4 4 GLU H H 102 8.342 8.099 0.243 2 1 853 . 2 2 B 4 4 GLU HA H 102 4.282 4.646 -0.364 2 1 858 . 2 2 B 4 4 GLU C C 102 177.132 176.311 0.821 2 1 859 . 2 2 B 4 4 GLU CA C 102 57.410 59.171 -1.761 2 1 861 . 2 2 B 4 4 GLU N N 102 121.884 119.859 2.025 2 1 862 . 2 2 B 5 5 GLY H H 103 8.331 8.492 -0.161 2 1 863 . 2 2 B 5 5 GLY HA2 H 103 3.960 4.059 -0.099 2 1 864 . 2 2 B 5 5 GLY HA3 H 103 3.960 4.066 -0.106 2 1 865 . 2 2 B 5 5 GLY C C 103 174.207 174.654 -0.447 2 1 866 . 2 2 B 5 5 GLY CA C 103 45.731 53.558 -7.827 2 1 867 . 2 2 B 5 5 GLY N N 103 110.055 115.941 -5.886 2 1 868 . 2 2 B 6 6 ILE H H 104 7.831 8.209 -0.378 2 1 869 . 2 2 B 6 6 ILE HA H 104 4.286 4.452 -0.166 2 1 879 . 2 2 B 6 6 ILE C C 104 176.401 174.592 1.809 2 1 880 . 2 2 B 6 6 ILE CA C 104 61.558 59.826 1.732 2 1 881 . 2 2 B 6 6 ILE CB C 104 39.436 50.971 -11.536 2 1 885 . 2 2 B 6 6 ILE N N 104 119.606 120.615 -1.009 2 1 886 . 2 2 B 7 7 SER H H 105 8.350 8.407 -0.057 2 1 887 . 2 2 B 7 7 SER HA H 105 4.545 4.655 -0.110 2 1 890 . 2 2 B 7 7 SER C C 105 174.550 174.769 -0.219 2 1 891 . 2 2 B 7 7 SER CA C 105 58.667 56.147 2.520 2 1 892 . 2 2 B 7 7 SER CB C 105 64.072 53.567 10.505 2 1 893 . 2 2 B 7 7 SER N N 105 119.853 121.775 -1.922 2 1 894 . 2 2 B 8 8 ILE H H 106 7.921 8.530 -0.610 2 1 895 . 2 2 B 8 8 ILE HA H 106 4.205 4.485 -0.280 2 1 905 . 2 2 B 8 8 ILE C C 106 175.921 174.137 1.784 2 1 906 . 2 2 B 8 8 ILE CA C 106 61.935 59.433 2.502 2 1 907 . 2 2 B 8 8 ILE CB C 106 39.436 52.179 -12.743 2 1 911 . 2 2 B 8 8 ILE N N 106 121.730 120.839 0.891 2 1 912 . 2 2 B 9 9 TYR H H 107 8.166 8.364 -0.198 2 1 913 . 2 2 B 9 9 TYR HA H 107 4.713 4.795 -0.082 2 1 920 . 2 2 B 9 9 TYR C C 107 176.058 175.175 0.883 2 1 921 . 2 2 B 9 9 TYR CA C 107 58.165 57.498 0.667 2 1 922 . 2 2 B 9 9 TYR CB C 107 39.436 38.821 0.615 2 1 925 . 2 2 B 9 9 TYR N N 107 123.598 121.183 2.415 2 1 926 . 2 2 B 10 10 THR H H 108 7.961 8.310 -0.349 2 1 927 . 2 2 B 10 10 THR HA H 108 4.433 4.766 -0.333 2 1 932 . 2 2 B 10 10 THR C C 108 174.459 174.488 -0.029 2 1 933 . 2 2 B 10 10 THR CA C 108 62.061 58.196 3.865 2 1 934 . 2 2 B 10 10 THR CB C 108 70.608 51.723 18.885 2 1 936 . 2 2 B 10 10 THR N N 108 115.642 117.734 -2.092 2 1 937 . 2 2 B 11 11 SER H H 109 8.211 8.741 -0.530 2 1 938 . 2 2 B 11 11 SER HA H 109 4.507 4.949 -0.442 2 1 941 . 2 2 B 11 11 SER C C 109 174.504 173.866 0.638 2 1 942 . 2 2 B 11 11 SER CA C 109 58.919 56.590 2.329 2 1 943 . 2 2 B 11 11 SER CB C 109 64.198 53.770 10.428 2 1 944 . 2 2 B 11 11 SER N N 109 117.260 119.711 -2.451 2 1 945 . 2 2 B 12 12 ASP H H 110 8.351 8.433 -0.082 2 1 946 . 2 2 B 12 12 ASP HA H 110 4.631 4.570 0.061 2 1 949 . 2 2 B 12 12 ASP C C 110 176.058 175.836 0.222 2 1 950 . 2 2 B 12 12 ASP CA C 110 55.022 59.463 -4.441 2 1 951 . 2 2 B 12 12 ASP CB C 110 41.825 36.755 5.070 2 1 952 . 2 2 B 12 12 ASP N N 110 122.020 122.550 -0.530 2 1 953 . 2 2 B 13 13 ASN H H 111 8.230 8.040 0.190 2 1 954 . 2 2 B 13 13 ASN HA H 111 4.726 4.833 -0.107 2 1 957 . 2 2 B 13 13 ASN C C 111 175.030 174.123 0.907 2 1 958 . 2 2 B 13 13 ASN CA C 111 53.765 53.399 0.366 2 1 959 . 2 2 B 13 13 ASN CB C 111 39.562 38.865 0.697 2 1 960 . 2 2 B 13 13 ASN N N 111 118.317 116.960 1.357 2 1 961 . 2 2 B 14 14 TYR H H 112 8.101 8.503 -0.402 2 1 962 . 2 2 B 14 14 TYR HA H 112 4.638 4.401 0.237 2 1 969 . 2 2 B 14 14 TYR C C 112 176.081 175.473 0.608 2 1 970 . 2 2 B 14 14 TYR CA C 112 58.793 58.129 0.664 2 1 971 . 2 2 B 14 14 TYR CB C 112 39.436 35.308 4.128 2 1 974 . 2 2 B 14 14 TYR N N 112 120.850 123.264 -2.414 2 1 975 . 2 2 B 15 15 THR H H 113 7.879 7.959 -0.080 2 1 976 . 2 2 B 15 15 THR HA H 113 4.284 4.546 -0.262 2 1 981 . 2 2 B 15 15 THR C C 113 174.413 174.634 -0.221 2 1 982 . 2 2 B 15 15 THR CA C 113 62.187 59.274 2.913 2 1 983 . 2 2 B 15 15 THR CB C 113 70.341 54.927 15.414 2 1 985 . 2 2 B 15 15 THR N N 113 116.126 115.121 1.005 2 1 986 . 2 2 B 16 16 GLU H H 114 8.253 8.236 0.017 2 1 987 . 2 2 B 16 16 GLU HA H 114 4.256 5.001 -0.745 2 1 992 . 2 2 B 16 16 GLU C C 114 176.766 175.255 1.511 2 1 993 . 2 2 B 16 16 GLU CA C 114 57.410 56.000 1.410 2 1 994 . 2 2 B 16 16 GLU CB C 114 30.620 35.869 -5.249 2 1 996 . 2 2 B 16 16 GLU N N 114 123.052 120.346 2.706 2 1 997 . 2 2 B 17 17 GLU H H 115 8.331 8.883 -0.552 2 1 998 . 2 2 B 17 17 GLU HA H 115 4.292 4.591 -0.299 2 1 1003 . 2 2 B 17 17 GLU C C 115 176.880 176.250 0.630 2 1 1004 . 2 2 B 17 17 GLU CA C 115 57.410 56.434 0.976 2 1 1005 . 2 2 B 17 17 GLU CB C 115 30.525 30.992 -0.467 2 1 1007 . 2 2 B 17 17 GLU N N 115 121.688 121.211 0.477 2 1 1008 . 2 2 B 18 18 MET H H 116 8.317 8.475 -0.158 2 1 1009 . 2 2 B 18 18 MET HA H 116 4.490 4.741 -0.251 2 1 1014 . 2 2 B 18 18 MET C C 116 177.086 174.892 2.194 2 1 1015 . 2 2 B 18 18 MET CA C 116 56.279 56.964 -0.685 2 1 1016 . 2 2 B 18 18 MET CB C 116 33.026 49.824 -16.798 2 1 1017 . 2 2 B 18 18 MET N N 116 121.270 118.741 2.529 2 1 1018 . 2 2 B 19 19 GLY H H 117 8.320 8.237 0.083 2 1 1019 . 2 2 B 19 19 GLY HA2 H 117 4.054 4.170 -0.116 2 1 1020 . 2 2 B 19 19 GLY HA3 H 117 4.054 4.189 -0.135 2 1 1021 . 2 2 B 19 19 GLY C C 117 174.481 173.501 0.980 2 1 1022 . 2 2 B 19 19 GLY CA C 117 45.847 50.306 -4.459 2 1 1023 . 2 2 B 19 19 GLY N N 117 110.055 114.438 -4.383 2 1 1024 . 2 2 B 20 20 SER H H 118 8.230 8.485 -0.255 2 1 1025 . 2 2 B 20 20 SER HA H 118 4.476 4.773 -0.297 2 1 1028 . 2 2 B 20 20 SER C C 118 175.327 174.210 1.117 2 1 1029 . 2 2 B 20 20 SER CA C 118 58.919 59.165 -0.246 2 1 1030 . 2 2 B 20 20 SER CB C 118 64.575 50.139 14.436 2 1 1031 . 2 2 B 20 20 SER N N 118 115.664 119.352 -3.688 2 1 1032 . 2 2 B 21 21 GLY H H 119 8.371 8.534 -0.163 2 1 1033 . 2 2 B 21 21 GLY HA2 H 119 3.951 4.240 -0.289 2 1 1034 . 2 2 B 21 21 GLY HA3 H 119 3.951 4.241 -0.290 2 1 1035 . 2 2 B 21 21 GLY C C 119 174.002 175.270 -1.268 2 1 1036 . 2 2 B 21 21 GLY CA C 119 45.721 48.390 -2.669 2 1 1037 . 2 2 B 21 21 GLY N N 119 110.872 118.917 -8.045 2 1 1068 . 2 2 B 25 25 SER H H 123 8.155 7.887 0.268 2 1 1069 . 2 2 B 25 25 SER HA H 123 4.404 4.442 -0.038 2 1 1072 . 2 2 B 25 25 SER C C 123 175.075 174.568 0.507 2 1 1073 . 2 2 B 25 25 SER CA C 123 59.347 59.110 0.237 2 1 1074 . 2 2 B 25 25 SER CB C 123 63.879 48.310 15.569 2 1 1075 . 2 2 B 25 25 SER N N 123 116.126 117.397 -1.271 2 1 1076 . 2 2 B 26 26 MET H H 124 8.221 8.805 -0.584 2 1 1077 . 2 2 B 26 26 MET HA H 124 4.482 4.560 -0.078 2 1 1082 . 2 2 B 26 26 MET C C 124 176.355 175.591 0.764 2 1 1083 . 2 2 B 26 26 MET CA C 124 56.279 56.198 0.081 2 1 1084 . 2 2 B 26 26 MET CB C 124 32.900 33.696 -0.796 2 1 1086 . 2 2 B 26 26 MET N N 124 121.210 123.010 -1.800 2 1 1087 . 2 2 B 27 27 LYS H H 125 8.036 8.097 -0.061 2 1 1088 . 2 2 B 27 27 LYS HA H 125 4.333 4.948 -0.615 2 1 1097 . 2 2 B 27 27 LYS C C 125 176.355 173.730 2.625 2 1 1098 . 2 2 B 27 27 LYS CA C 125 56.656 54.701 1.955 2 1 1099 . 2 2 B 27 27 LYS CB C 125 33.529 33.701 -0.172 2 1 1103 . 2 2 B 27 27 LYS N N 125 121.457 118.253 3.204 2 1 1104 . 2 2 B 28 28 GLU H H 126 8.205 8.809 -0.604 2 1 1105 . 2 2 B 28 28 GLU N N 126 122.740 119.475 3.265 2 1 1106 . 2 2 B 29 29 PRO HA H 127 4.377 4.829 -0.452 2 1 1113 . 2 2 B 29 29 PRO C C 127 176.812 175.611 1.201 2 1 1114 . 2 2 B 29 29 PRO CA C 127 63.821 59.090 4.731 2 1 1115 . 2 2 B 29 29 PRO CB C 127 32.272 33.857 -1.585 2 1 1118 . 2 2 B 30 30 ALA H H 128 8.273 8.720 -0.447 2 1 1119 . 2 2 B 30 30 ALA HA H 128 4.287 4.697 -0.410 2 1 1123 . 2 2 B 30 30 ALA C C 128 177.589 176.329 1.260 2 1 1124 . 2 2 B 30 30 ALA CA C 128 52.873 56.092 -3.219 2 1 1125 . 2 2 B 30 30 ALA CB C 128 19.703 29.583 -9.880 2 1 1126 . 2 2 B 30 30 ALA N N 128 123.577 126.312 -2.735 2 1 1127 . 2 2 B 31 31 PHE H H 129 8.019 8.626 -0.607 2 1 1128 . 2 2 B 31 31 PHE HA H 129 4.621 4.687 -0.066 2 1 1135 . 2 2 B 31 31 PHE C C 129 175.624 175.341 0.283 2 1 1136 . 2 2 B 31 31 PHE CA C 129 58.039 56.502 1.537 2 1 1137 . 2 2 B 31 31 PHE CB C 129 40.055 42.230 -2.175 2 1 1140 . 2 2 B 31 31 PHE N N 129 118.994 122.981 -3.988 2 1 1141 . 2 2 B 32 32 ARG H H 130 8.042 8.482 -0.440 2 1 1142 . 2 2 B 32 32 ARG HA H 130 4.332 4.848 -0.516 2 1 1149 . 2 2 B 32 32 ARG C C 130 175.875 174.870 1.005 2 1 1150 . 2 2 B 32 32 ARG CA C 130 56.154 53.819 2.335 2 1 1151 . 2 2 B 32 32 ARG CB C 130 31.643 35.578 -3.935 2 1 1154 . 2 2 B 32 32 ARG N N 130 122.929 121.097 1.832 2 1 1155 . 2 2 B 33 33 GLU H H 131 8.389 8.584 -0.195 2 1 1156 . 2 2 B 33 33 GLU HA H 131 4.276 4.738 -0.462 2 1 1161 . 2 2 B 33 33 GLU C C 131 176.766 175.376 1.390 2 1 1162 . 2 2 B 33 33 GLU CA C 131 57.285 57.870 -0.585 2 1 1163 . 2 2 B 33 33 GLU CB C 131 30.512 50.195 -19.683 2 1 1165 . 2 2 B 33 33 GLU N N 131 122.719 120.884 1.835 2 1 1166 . 2 2 B 34 34 GLU H H 132 8.502 8.746 -0.244 2 1 1167 . 2 2 B 34 34 GLU HA H 132 4.275 4.548 -0.273 2 1 1172 . 2 2 B 34 34 GLU C C 132 176.560 175.243 1.318 2 1 1173 . 2 2 B 34 34 GLU CA C 132 57.400 59.788 -2.388 2 1 1174 . 2 2 B 34 34 GLU CB C 132 30.526 30.967 -0.441 2 1 1176 . 2 2 B 34 34 GLU N N 132 122.122 124.571 -2.449 2 1 1177 . 2 2 B 35 35 ASN H H 133 8.362 8.639 -0.277 2 1 1178 . 2 2 B 35 35 ASN HA H 133 4.693 4.870 -0.177 2 1 1181 . 2 2 B 35 35 ASN C C 133 175.258 174.430 0.828 2 1 1182 . 2 2 B 35 35 ASN CA C 133 53.765 53.241 0.524 2 1 1183 . 2 2 B 35 35 ASN CB C 133 39.562 39.139 0.423 2 1 1184 . 2 2 B 35 35 ASN N N 133 119.552 120.747 -1.195 2 1 1185 . 2 2 B 36 36 ALA H H 134 8.155 8.044 0.111 2 1 1186 . 2 2 B 36 36 ALA HA H 134 4.289 4.782 -0.493 2 1 1190 . 2 2 B 36 36 ALA C C 134 177.520 175.067 2.453 2 1 1191 . 2 2 B 36 36 ALA CA C 134 52.873 53.304 -0.431 2 1 1192 . 2 2 B 36 36 ALA CB C 134 19.703 33.232 -13.529 2 1 1193 . 2 2 B 36 36 ALA N N 134 124.376 121.723 2.653 2 1 1194 . 2 2 B 37 37 ASN H H 135 8.210 8.542 -0.332 2 1 1195 . 2 2 B 37 37 ASN HA H 135 4.694 4.631 0.063 2 1 1198 . 2 2 B 37 37 ASN C C 135 175.144 175.598 -0.454 2 1 1199 . 2 2 B 37 37 ASN CA C 135 53.640 52.948 0.692 2 1 1200 . 2 2 B 37 37 ASN CB C 135 39.311 29.762 9.549 2 1 1201 . 2 2 B 37 37 ASN N N 135 117.103 122.761 -5.658 2 1 1202 . 2 2 B 38 38 PHE H H 136 7.997 8.405 -0.409 2 1 1203 . 2 2 B 38 38 PHE HA H 136 4.659 4.760 -0.101 2 1 1210 . 2 2 B 38 38 PHE C C 136 175.601 173.935 1.666 2 1 1211 . 2 2 B 38 38 PHE CA C 136 58.165 57.797 0.368 2 1 1212 . 2 2 B 38 38 PHE CB C 136 39.939 34.409 5.530 2 1 1215 . 2 2 B 38 38 PHE N N 136 120.229 119.761 0.468 2 1 1216 . 2 2 B 39 39 ASN H H 137 8.272 8.527 -0.255 2 1 1217 . 2 2 B 39 39 ASN HA H 137 4.733 4.933 -0.200 2 1 1220 . 2 2 B 39 39 ASN C C 137 174.047 174.095 -0.048 2 1 1221 . 2 2 B 39 39 ASN CA C 137 53.891 53.588 0.303 2 1 1222 . 2 2 B 39 39 ASN CB C 137 39.688 36.377 3.311 2 1 1223 . 2 2 B 39 39 ASN N N 137 120.594 124.033 -3.439 2 stop_ save_