data_15637_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15637 _Entry.PDB_ID 2K05 _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 4.510 4.650 -0.140 1 1 10 . 1 1 1 A 4 4 PRO C C 2 177.132 176.484 0.648 1 1 11 . 1 1 1 A 4 4 PRO CA C 2 63.529 62.432 1.097 1 1 12 . 1 1 1 A 4 4 PRO CB C 2 32.476 32.526 -0.050 1 1 15 . 1 1 1 A 5 5 VAL H H 3 8.201 8.196 0.005 1 1 16 . 1 1 1 A 5 5 VAL HA H 3 4.140 4.466 -0.326 1 1 24 . 1 1 1 A 5 5 VAL C C 3 176.423 174.664 1.759 1 1 25 . 1 1 1 A 5 5 VAL CA C 3 62.873 61.116 1.757 1 1 26 . 1 1 1 A 5 5 VAL CB C 3 33.455 31.279 2.176 1 1 28 . 1 1 1 A 5 5 VAL N N 3 120.488 116.558 3.930 1 1 29 . 1 1 1 A 6 6 SER H H 4 8.276 8.402 -0.126 1 1 30 . 1 1 1 A 6 6 SER HA H 4 4.487 4.783 -0.296 1 1 33 . 1 1 1 A 6 6 SER C C 4 174.687 174.057 0.630 1 1 34 . 1 1 1 A 6 6 SER CA C 4 58.375 58.483 -0.108 1 1 35 . 1 1 1 A 6 6 SER CB C 4 64.295 63.056 1.239 1 1 36 . 1 1 1 A 6 6 SER N N 4 119.000 123.991 -4.991 1 1 37 . 1 1 1 A 7 7 LEU H H 5 8.238 8.841 -0.603 1 1 38 . 1 1 1 A 7 7 LEU HA H 5 4.397 5.118 -0.721 1 1 44 . 1 1 1 A 7 7 LEU C C 5 177.406 175.531 1.875 1 1 45 . 1 1 1 A 7 7 LEU CA C 5 55.766 53.571 2.195 1 1 46 . 1 1 1 A 7 7 LEU CB C 5 43.132 44.575 -1.443 1 1 48 . 1 1 1 A 7 7 LEU N N 5 124.704 128.002 -3.298 1 1 49 . 1 1 1 A 8 8 SER H H 6 8.148 8.462 -0.314 1 1 50 . 1 1 1 A 8 8 SER HA H 6 4.438 5.089 -0.651 1 1 53 . 1 1 1 A 8 8 SER C C 6 174.321 172.116 2.205 1 1 54 . 1 1 1 A 8 8 SER CA C 6 58.718 57.546 1.172 1 1 55 . 1 1 1 A 8 8 SER CB C 6 64.295 67.082 -2.787 1 1 56 . 1 1 1 A 8 8 SER N N 6 115.960 115.633 0.327 1 1 57 . 1 1 1 A 9 9 TYR H H 7 7.915 8.898 -0.983 1 1 58 . 1 1 1 A 9 9 TYR HA H 7 4.585 5.159 -0.574 1 1 65 . 1 1 1 A 9 9 TYR C C 7 175.532 175.792 -0.260 1 1 66 . 1 1 1 A 9 9 TYR CA C 7 58.335 56.819 1.516 1 1 67 . 1 1 1 A 9 9 TYR CB C 7 39.474 38.662 0.812 1 1 70 . 1 1 1 A 9 9 TYR N N 7 121.884 120.786 1.098 1 1 71 . 1 1 1 A 10 10 ARG H H 8 8.117 8.617 -0.500 1 1 72 . 1 1 1 A 10 10 ARG HA H 8 4.337 4.934 -0.597 1 1 79 . 1 1 1 A 10 10 ARG C C 8 175.898 174.536 1.362 1 1 80 . 1 1 1 A 10 10 ARG CA C 8 56.048 53.889 2.159 1 1 81 . 1 1 1 A 10 10 ARG CB C 8 31.492 34.637 -3.145 1 1 84 . 1 1 1 A 10 10 ARG N N 8 121.977 122.624 -0.647 1 1 85 . 1 1 1 A 11 11 CYS H H 9 8.127 8.649 -0.522 1 1 86 . 1 1 1 A 11 11 CYS HA H 9 4.984 5.026 -0.042 1 1 89 . 1 1 1 A 11 11 CYS C C 9 177.771 173.626 4.145 1 1 90 . 1 1 1 A 11 11 CYS CA C 9 53.192 54.562 -1.370 1 1 91 . 1 1 1 A 11 11 CYS CB C 9 40.897 43.377 -2.480 1 1 92 . 1 1 1 A 11 11 CYS N N 9 121.209 120.008 1.201 1 1 93 . 1 1 1 A 12 12 PRO HA H 10 4.321 4.325 -0.004 1 1 100 . 1 1 1 A 12 12 PRO CA C 10 65.478 65.891 -0.413 1 1 101 . 1 1 1 A 12 12 PRO CB C 10 32.904 31.058 1.846 1 1 104 . 1 1 1 A 13 13 CYS H H 11 8.633 7.935 0.698 1 1 105 . 1 1 1 A 13 13 CYS C C 11 174.618 173.260 1.358 1 1 106 . 1 1 1 A 13 13 CYS N N 11 114.595 115.512 -0.917 1 1 107 . 1 1 1 A 14 14 ARG H H 12 8.236 9.069 -0.833 1 1 108 . 1 1 1 A 14 14 ARG HA H 12 4.067 4.422 -0.355 1 1 115 . 1 1 1 A 14 14 ARG C C 12 175.098 175.536 -0.438 1 1 116 . 1 1 1 A 14 14 ARG CA C 12 57.370 57.033 0.337 1 1 117 . 1 1 1 A 14 14 ARG CB C 12 31.631 32.215 -0.584 1 1 120 . 1 1 1 A 14 14 ARG N N 12 122.779 123.874 -1.095 1 1 121 . 1 1 1 A 15 15 PHE H H 13 7.571 7.500 0.071 1 1 122 . 1 1 1 A 15 15 PHE HA H 13 4.510 4.981 -0.471 1 1 129 . 1 1 1 A 15 15 PHE C C 13 174.162 174.987 -0.825 1 1 130 . 1 1 1 A 15 15 PHE CA C 13 56.289 56.408 -0.119 1 1 131 . 1 1 1 A 15 15 PHE CB C 13 41.320 41.440 -0.120 1 1 134 . 1 1 1 A 15 15 PHE N N 13 116.797 117.005 -0.208 1 1 135 . 1 1 1 A 16 16 PHE H H 14 8.084 8.689 -0.605 1 1 136 . 1 1 1 A 16 16 PHE HA H 14 4.767 5.697 -0.930 1 1 143 . 1 1 1 A 16 16 PHE C C 14 175.441 172.553 2.888 1 1 144 . 1 1 1 A 16 16 PHE CA C 14 55.767 55.193 0.574 1 1 145 . 1 1 1 A 16 16 PHE CB C 14 41.320 42.657 -1.337 1 1 148 . 1 1 1 A 16 16 PHE N N 14 118.930 117.740 1.190 1 1 149 . 1 1 1 A 17 17 GLU H H 15 8.815 9.468 -0.653 1 1 150 . 1 1 1 A 17 17 GLU HA H 15 4.579 4.693 -0.114 1 1 155 . 1 1 1 A 17 17 GLU C C 15 176.857 177.048 -0.191 1 1 156 . 1 1 1 A 17 17 GLU CA C 15 56.289 55.192 1.097 1 1 157 . 1 1 1 A 17 17 GLU CB C 15 31.173 31.087 0.086 1 1 159 . 1 1 1 A 17 17 GLU N N 15 122.929 122.704 0.225 1 1 160 . 1 1 1 A 18 18 SER H H 16 8.751 9.041 -0.290 1 1 161 . 1 1 1 A 18 18 SER HA H 16 4.762 4.596 0.166 1 1 164 . 1 1 1 A 18 18 SER C C 16 177.497 174.418 3.079 1 1 165 . 1 1 1 A 18 18 SER CA C 16 59.328 58.913 0.415 1 1 166 . 1 1 1 A 18 18 SER CB C 16 64.515 64.247 0.268 1 1 167 . 1 1 1 A 18 18 SER N N 16 118.860 122.797 -3.937 1 1 168 . 1 1 1 A 19 19 HIS H H 17 8.761 8.235 0.526 1 1 169 . 1 1 1 A 19 19 HIS HA H 17 4.832 4.917 -0.085 1 1 174 . 1 1 1 A 19 19 HIS C C 17 174.618 173.732 0.886 1 1 175 . 1 1 1 A 19 19 HIS CA C 17 56.449 54.574 1.875 1 1 176 . 1 1 1 A 19 19 HIS CB C 17 30.214 29.486 0.728 1 1 179 . 1 1 1 A 19 19 HIS N N 17 120.535 119.063 1.472 1 1 180 . 1 1 1 A 20 20 VAL H H 18 7.085 8.570 -1.485 1 1 181 . 1 1 1 A 20 20 VAL HA H 18 4.160 4.756 -0.596 1 1 189 . 1 1 1 A 20 20 VAL C C 18 174.436 175.385 -0.949 1 1 190 . 1 1 1 A 20 20 VAL CA C 18 62.167 60.089 2.078 1 1 191 . 1 1 1 A 20 20 VAL CB C 18 34.426 34.134 0.292 1 1 193 . 1 1 1 A 20 20 VAL N N 18 120.872 123.101 -2.229 1 1 194 . 1 1 1 A 21 21 ALA H H 19 8.521 8.886 -0.365 1 1 195 . 1 1 1 A 21 21 ALA HA H 19 4.367 4.439 -0.072 1 1 199 . 1 1 1 A 21 21 ALA C C 19 177.657 177.934 -0.277 1 1 200 . 1 1 1 A 21 21 ALA CA C 19 51.193 52.052 -0.859 1 1 201 . 1 1 1 A 21 21 ALA CB C 19 19.790 19.078 0.712 1 1 202 . 1 1 1 A 21 21 ALA N N 19 131.339 129.583 1.756 1 1 203 . 1 1 1 A 22 22 ARG H H 20 7.790 8.359 -0.569 1 1 204 . 1 1 1 A 22 22 ARG HA H 20 2.451 2.966 -0.515 1 1 211 . 1 1 1 A 22 22 ARG C C 20 178.365 177.111 1.254 1 1 212 . 1 1 1 A 22 22 ARG CA C 20 59.379 58.131 1.248 1 1 213 . 1 1 1 A 22 22 ARG CB C 20 29.572 28.980 0.592 1 1 216 . 1 1 1 A 22 22 ARG N N 20 124.365 124.457 -0.092 1 1 217 . 1 1 1 A 23 23 ALA H H 21 8.120 7.536 0.584 1 1 218 . 1 1 1 A 23 23 ALA HA H 21 4.060 4.126 -0.066 1 1 222 . 1 1 1 A 23 23 ALA C C 21 178.000 178.282 -0.282 1 1 223 . 1 1 1 A 23 23 ALA CA C 21 54.100 53.181 0.919 1 1 224 . 1 1 1 A 23 23 ALA CB C 21 18.713 18.625 0.088 1 1 225 . 1 1 1 A 23 23 ALA N N 21 117.156 120.949 -3.793 1 1 226 . 1 1 1 A 24 24 ASN H H 22 7.707 7.922 -0.215 1 1 227 . 1 1 1 A 24 24 ASN HA H 22 5.010 4.760 0.250 1 1 232 . 1 1 1 A 24 24 ASN C C 22 174.938 174.903 0.035 1 1 233 . 1 1 1 A 24 24 ASN CA C 22 52.869 53.670 -0.801 1 1 234 . 1 1 1 A 24 24 ASN CB C 22 40.573 39.117 1.456 1 1 235 . 1 1 1 A 24 24 ASN N N 22 112.819 115.129 -2.310 1 1 237 . 1 1 1 A 25 25 VAL H H 23 7.489 6.947 0.542 1 1 238 . 1 1 1 A 25 25 VAL HA H 23 4.888 4.316 0.572 1 1 246 . 1 1 1 A 25 25 VAL C C 23 175.829 175.177 0.652 1 1 247 . 1 1 1 A 25 25 VAL CA C 23 59.870 60.318 -0.448 1 1 248 . 1 1 1 A 25 25 VAL CB C 23 35.396 33.658 1.738 1 1 251 . 1 1 1 A 25 25 VAL N N 23 119.721 117.349 2.372 1 1 252 . 1 1 1 A 26 26 LYS H H 24 9.480 8.998 0.482 1 1 253 . 1 1 1 A 26 26 LYS HA H 24 4.353 4.508 -0.155 1 1 262 . 1 1 1 A 26 26 LYS C C 24 176.606 176.825 -0.219 1 1 263 . 1 1 1 A 26 26 LYS CA C 24 58.977 57.356 1.621 1 1 264 . 1 1 1 A 26 26 LYS CB C 24 34.567 33.780 0.787 1 1 268 . 1 1 1 A 26 26 LYS N N 24 127.843 121.319 6.524 1 1 269 . 1 1 1 A 27 27 HIS H H 25 7.237 7.867 -0.630 1 1 270 . 1 1 1 A 27 27 HIS HA H 25 4.979 5.276 -0.297 1 1 275 . 1 1 1 A 27 27 HIS C C 25 178.434 172.706 5.728 1 1 276 . 1 1 1 A 27 27 HIS CA C 25 55.406 54.513 0.893 1 1 277 . 1 1 1 A 27 27 HIS CB C 25 32.480 32.915 -0.435 1 1 280 . 1 1 1 A 27 27 HIS N N 25 109.556 114.065 -4.509 1 1 281 . 1 1 1 A 28 28 LEU H H 26 8.189 8.991 -0.802 1 1 282 . 1 1 1 A 28 28 LEU HA H 26 5.190 5.219 -0.029 1 1 292 . 1 1 1 A 28 28 LEU C C 26 175.510 175.217 0.293 1 1 293 . 1 1 1 A 28 28 LEU CA C 26 53.480 53.439 0.041 1 1 294 . 1 1 1 A 28 28 LEU CB C 26 45.235 45.149 0.086 1 1 298 . 1 1 1 A 28 28 LEU N N 26 117.260 119.663 -2.403 1 1 299 . 1 1 1 A 29 29 LYS H H 27 9.572 9.438 0.134 1 1 300 . 1 1 1 A 29 29 LYS HA H 27 5.372 5.108 0.264 1 1 309 . 1 1 1 A 29 29 LYS C C 27 174.801 175.058 -0.257 1 1 310 . 1 1 1 A 29 29 LYS CA C 27 55.165 54.768 0.397 1 1 311 . 1 1 1 A 29 29 LYS CB C 27 35.253 35.038 0.215 1 1 315 . 1 1 1 A 29 29 LYS N N 27 123.488 124.218 -0.730 1 1 316 . 1 1 1 A 30 30 ILE H H 28 9.136 9.068 0.068 1 1 317 . 1 1 1 A 30 30 ILE HA H 28 4.924 5.348 -0.424 1 1 327 . 1 1 1 A 30 30 ILE C C 28 176.949 174.922 2.027 1 1 328 . 1 1 1 A 30 30 ILE CA C 28 60.542 59.618 0.924 1 1 329 . 1 1 1 A 30 30 ILE CB C 28 39.600 40.291 -0.691 1 1 333 . 1 1 1 A 30 30 ILE N N 28 123.846 127.372 -3.526 1 1 334 . 1 1 1 A 31 31 LEU H H 29 8.805 9.324 -0.519 1 1 335 . 1 1 1 A 31 31 LEU HA H 29 4.535 5.097 -0.562 1 1 344 . 1 1 1 A 31 31 LEU C C 29 176.012 175.488 0.524 1 1 345 . 1 1 1 A 31 31 LEU CA C 29 55.366 53.637 1.729 1 1 346 . 1 1 1 A 31 31 LEU CB C 29 43.180 45.735 -2.555 1 1 349 . 1 1 1 A 31 31 LEU N N 29 128.649 127.123 1.526 1 1 350 . 1 1 1 A 32 32 ASN H H 30 8.216 8.882 -0.666 1 1 351 . 1 1 1 A 32 32 ASN HA H 30 5.005 5.130 -0.125 1 1 356 . 1 1 1 A 32 32 ASN C C 30 174.664 175.211 -0.547 1 1 357 . 1 1 1 A 32 32 ASN CA C 30 52.517 52.804 -0.287 1 1 358 . 1 1 1 A 32 32 ASN CB C 30 38.776 39.439 -0.663 1 1 359 . 1 1 1 A 32 32 ASN N N 30 120.791 121.419 -0.628 1 1 361 . 1 1 1 A 33 33 THR H H 31 7.883 8.954 -1.071 1 1 362 . 1 1 1 A 33 33 THR HA H 31 4.842 4.986 -0.144 1 1 367 . 1 1 1 A 33 33 THR CA C 31 58.369 59.338 -0.969 1 1 368 . 1 1 1 A 33 33 THR CB C 31 70.018 69.223 0.795 1 1 370 . 1 1 1 A 33 33 THR N N 31 115.811 117.572 -1.761 1 1 371 . 1 1 1 A 34 34 PRO HA H 32 4.317 4.431 -0.114 1 1 378 . 1 1 1 A 34 34 PRO CA C 32 65.164 65.707 -0.543 1 1 379 . 1 1 1 A 34 34 PRO CB C 32 32.484 31.917 0.567 1 1 382 . 1 1 1 A 35 35 ASN H H 33 8.259 8.229 0.030 1 1 383 . 1 1 1 A 35 35 ASN HA H 33 4.651 4.870 -0.219 1 1 388 . 1 1 1 A 35 35 ASN C C 33 174.710 174.782 -0.072 1 1 389 . 1 1 1 A 35 35 ASN CA C 33 54.532 52.735 1.797 1 1 390 . 1 1 1 A 35 35 ASN CB C 33 39.167 38.658 0.509 1 1 391 . 1 1 1 A 35 35 ASN N N 33 120.081 114.214 5.867 1 1 393 . 1 1 1 A 36 36 CYS H H 34 7.569 7.621 -0.052 1 1 394 . 1 1 1 A 36 36 CYS HA H 34 4.675 4.929 -0.254 1 1 397 . 1 1 1 A 36 36 CYS C C 34 173.865 173.823 0.042 1 1 398 . 1 1 1 A 36 36 CYS CA C 34 55.447 55.015 0.432 1 1 399 . 1 1 1 A 36 36 CYS CB C 34 45.228 45.996 -0.768 1 1 400 . 1 1 1 A 36 36 CYS N N 34 117.076 117.112 -0.036 1 1 401 . 1 1 1 A 37 37 ALA H H 35 8.472 8.543 -0.071 1 1 402 . 1 1 1 A 37 37 ALA HA H 35 4.223 4.130 0.093 1 1 406 . 1 1 1 A 37 37 ALA C C 35 176.423 176.876 -0.453 1 1 407 . 1 1 1 A 37 37 ALA CA C 35 53.537 55.419 -1.882 1 1 408 . 1 1 1 A 37 37 ALA CB C 35 19.202 18.966 0.236 1 1 409 . 1 1 1 A 37 37 ALA N N 35 125.153 125.127 0.026 1 1 410 . 1 1 1 A 38 38 CYS H H 36 8.316 7.863 0.453 1 1 411 . 1 1 1 A 38 38 CYS HA H 36 4.196 4.750 -0.554 1 1 414 . 1 1 1 A 38 38 CYS C C 36 173.705 172.380 1.325 1 1 415 . 1 1 1 A 38 38 CYS CA C 36 58.616 57.602 1.014 1 1 416 . 1 1 1 A 38 38 CYS CB C 36 45.705 30.625 15.080 1 1 417 . 1 1 1 A 38 38 CYS N N 36 118.837 114.007 4.830 1 1 418 . 1 1 1 A 39 39 GLN H H 37 8.928 9.040 -0.112 1 1 419 . 1 1 1 A 39 39 GLN HA H 37 4.596 4.928 -0.332 1 1 426 . 1 1 1 A 39 39 GLN C C 37 173.636 174.541 -0.905 1 1 427 . 1 1 1 A 39 39 GLN CA C 37 54.603 54.407 0.196 1 1 428 . 1 1 1 A 39 39 GLN CB C 37 31.761 31.416 0.345 1 1 430 . 1 1 1 A 39 39 GLN N N 37 128.567 125.593 2.974 1 1 432 . 1 1 1 A 40 40 ILE H H 38 8.851 9.050 -0.199 1 1 433 . 1 1 1 A 40 40 ILE HA H 38 5.087 5.348 -0.261 1 1 443 . 1 1 1 A 40 40 ILE C C 38 174.390 174.724 -0.334 1 1 444 . 1 1 1 A 40 40 ILE CA C 38 60.582 60.055 0.527 1 1 445 . 1 1 1 A 40 40 ILE CB C 38 40.048 40.779 -0.731 1 1 449 . 1 1 1 A 40 40 ILE N N 38 123.962 127.212 -3.250 1 1 450 . 1 1 1 A 41 41 VAL H H 39 9.090 9.144 -0.054 1 1 451 . 1 1 1 A 41 41 VAL HA H 39 4.822 4.977 -0.155 1 1 459 . 1 1 1 A 41 41 VAL C C 39 175.487 174.525 0.962 1 1 460 . 1 1 1 A 41 41 VAL CA C 39 59.980 60.391 -0.411 1 1 461 . 1 1 1 A 41 41 VAL CB C 39 35.868 35.448 0.420 1 1 464 . 1 1 1 A 41 41 VAL N N 39 126.354 126.254 0.100 1 1 465 . 1 1 1 A 42 42 ALA H H 40 9.513 9.198 0.315 1 1 466 . 1 1 1 A 42 42 ALA HA H 40 5.137 5.221 -0.084 1 1 470 . 1 1 1 A 42 42 ALA C C 40 175.944 175.691 0.253 1 1 471 . 1 1 1 A 42 42 ALA CA C 40 50.591 50.521 0.070 1 1 472 . 1 1 1 A 42 42 ALA CB C 40 22.432 22.956 -0.524 1 1 473 . 1 1 1 A 42 42 ALA N N 40 128.406 127.519 0.887 1 1 474 . 1 1 1 A 43 43 ARG H H 41 7.720 8.361 -0.641 1 1 475 . 1 1 1 A 43 43 ARG HA H 41 4.959 4.687 0.272 1 1 482 . 1 1 1 A 43 43 ARG C C 41 175.510 175.852 -0.342 1 1 483 . 1 1 1 A 43 43 ARG CA C 41 54.162 55.561 -1.399 1 1 484 . 1 1 1 A 43 43 ARG CB C 41 31.200 31.471 -0.271 1 1 487 . 1 1 1 A 43 43 ARG N N 41 121.795 122.123 -0.328 1 1 488 . 1 1 1 A 44 44 LEU H H 42 9.164 8.594 0.570 1 1 489 . 1 1 1 A 44 44 LEU HA H 42 5.021 4.441 0.580 1 1 499 . 1 1 1 A 44 44 LEU C C 42 177.840 177.148 0.692 1 1 500 . 1 1 1 A 44 44 LEU CA C 42 54.724 54.580 0.144 1 1 501 . 1 1 1 A 44 44 LEU CB C 42 41.712 42.163 -0.451 1 1 505 . 1 1 1 A 44 44 LEU N N 42 129.087 124.087 5.000 1 1 506 . 1 1 1 A 45 45 LYS H H 43 8.396 8.838 -0.442 1 1 507 . 1 1 1 A 45 45 LYS HA H 43 3.950 4.077 -0.127 1 1 516 . 1 1 1 A 45 45 LYS CA C 43 59.016 56.904 2.112 1 1 517 . 1 1 1 A 45 45 LYS CB C 43 34.102 31.930 2.172 1 1 520 . 1 1 1 A 45 45 LYS N N 43 119.674 121.628 -1.954 1 1 521 . 1 1 1 A 48 48 ASN HA H 46 4.709 4.764 -0.055 1 1 526 . 1 1 1 A 48 48 ASN C C 46 175.098 175.448 -0.350 1 1 527 . 1 1 1 A 48 48 ASN CA C 46 54.764 55.511 -0.747 1 1 528 . 1 1 1 A 48 48 ASN CB C 46 39.265 39.853 -0.588 1 1 530 . 1 1 1 A 49 49 ARG H H 47 7.923 7.575 0.348 1 1 531 . 1 1 1 A 49 49 ARG HA H 47 4.368 4.613 -0.245 1 1 538 . 1 1 1 A 49 49 ARG C C 47 175.601 173.809 1.792 1 1 539 . 1 1 1 A 49 49 ARG CA C 47 57.051 55.068 1.983 1 1 540 . 1 1 1 A 49 49 ARG CB C 47 32.121 32.435 -0.314 1 1 543 . 1 1 1 A 49 49 ARG N N 47 119.826 113.005 6.821 1 1 544 . 1 1 1 A 50 50 GLN H H 48 8.547 8.567 -0.020 1 1 545 . 1 1 1 A 50 50 GLN HA H 48 5.441 4.954 0.487 1 1 552 . 1 1 1 A 50 50 GLN C C 48 175.578 175.337 0.241 1 1 553 . 1 1 1 A 50 50 GLN CA C 48 55.125 54.940 0.185 1 1 554 . 1 1 1 A 50 50 GLN CB C 48 32.121 30.305 1.816 1 1 556 . 1 1 1 A 50 50 GLN N N 48 120.767 119.287 1.480 1 1 558 . 1 1 1 A 51 51 VAL H H 49 8.630 9.049 -0.419 1 1 559 . 1 1 1 A 51 51 VAL HA H 49 4.826 4.874 -0.048 1 1 567 . 1 1 1 A 51 51 VAL C C 49 175.258 174.475 0.783 1 1 568 . 1 1 1 A 51 51 VAL CA C 49 59.338 59.697 -0.359 1 1 569 . 1 1 1 A 51 51 VAL CB C 49 36.155 34.499 1.656 1 1 572 . 1 1 1 A 51 51 VAL N N 49 116.678 116.907 -0.229 1 1 573 . 1 1 1 A 52 52 CYS H H 50 9.095 8.671 0.424 1 1 574 . 1 1 1 A 52 52 CYS HA H 50 5.278 5.320 -0.042 1 1 577 . 1 1 1 A 52 52 CYS C C 50 174.527 172.858 1.669 1 1 578 . 1 1 1 A 52 52 CYS CA C 50 58.054 54.585 3.469 1 1 579 . 1 1 1 A 52 52 CYS CB C 50 43.162 43.885 -0.723 1 1 580 . 1 1 1 A 52 52 CYS N N 50 124.549 119.409 5.140 1 1 581 . 1 1 1 A 53 53 ILE H H 51 8.485 9.556 -1.071 1 1 582 . 1 1 1 A 53 53 ILE HA H 51 4.973 4.746 0.227 1 1 592 . 1 1 1 A 53 53 ILE C C 51 173.019 174.499 -1.480 1 1 593 . 1 1 1 A 53 53 ILE CA C 51 58.897 59.969 -1.072 1 1 594 . 1 1 1 A 53 53 ILE CB C 51 42.201 40.727 1.474 1 1 598 . 1 1 1 A 53 53 ILE N N 51 122.581 124.890 -2.309 1 1 599 . 1 1 1 A 54 54 ASP H H 52 7.661 8.713 -1.052 1 1 600 . 1 1 1 A 54 54 ASP HA H 52 3.611 4.682 -1.071 1 1 603 . 1 1 1 A 54 54 ASP CA C 52 51.574 51.798 -0.224 1 1 604 . 1 1 1 A 54 54 ASP CB C 52 42.515 42.512 0.003 1 1 605 . 1 1 1 A 54 54 ASP N N 52 125.772 125.220 0.552 1 1 606 . 1 1 1 A 55 55 PRO HA H 53 4.010 4.204 -0.194 1 1 613 . 1 1 1 A 55 55 PRO C C 53 176.126 177.837 -1.711 1 1 614 . 1 1 1 A 55 55 PRO CA C 53 63.993 64.465 -0.472 1 1 615 . 1 1 1 A 55 55 PRO CB C 53 33.002 31.931 1.071 1 1 618 . 1 1 1 A 56 56 LYS H H 54 7.930 7.849 0.081 1 1 619 . 1 1 1 A 56 56 LYS HA H 54 3.988 4.220 -0.232 1 1 628 . 1 1 1 A 56 56 LYS C C 54 177.931 176.181 1.750 1 1 629 . 1 1 1 A 56 56 LYS CA C 54 56.770 56.552 0.218 1 1 630 . 1 1 1 A 56 56 LYS CB C 54 32.023 32.713 -0.690 1 1 634 . 1 1 1 A 56 56 LYS N N 54 112.924 115.987 -3.063 1 1 635 . 1 1 1 A 57 57 LEU H H 55 7.161 7.104 0.057 1 1 636 . 1 1 1 A 57 57 LEU HA H 55 4.059 3.993 0.066 1 1 646 . 1 1 1 A 57 57 LEU C C 55 179.416 177.449 1.967 1 1 647 . 1 1 1 A 57 57 LEU CA C 55 56.088 55.626 0.462 1 1 648 . 1 1 1 A 57 57 LEU CB C 55 42.191 43.183 -0.992 1 1 652 . 1 1 1 A 57 57 LEU N N 55 120.593 123.128 -2.535 1 1 653 . 1 1 1 A 58 58 LYS H H 56 8.720 8.914 -0.194 1 1 654 . 1 1 1 A 58 58 LYS HA H 56 3.911 3.838 0.073 1 1 663 . 1 1 1 A 58 58 LYS C C 56 178.937 177.998 0.939 1 1 664 . 1 1 1 A 58 58 LYS CA C 56 60.301 59.903 0.398 1 1 665 . 1 1 1 A 58 58 LYS CB C 56 32.121 32.332 -0.211 1 1 669 . 1 1 1 A 58 58 LYS N N 56 125.479 126.470 -0.991 1 1 670 . 1 1 1 A 59 59 TRP H H 57 7.811 8.267 -0.456 1 1 671 . 1 1 1 A 59 59 TRP HA H 57 4.664 4.501 0.163 1 1 680 . 1 1 1 A 59 59 TRP C C 57 178.868 179.491 -0.623 1 1 681 . 1 1 1 A 59 59 TRP CA C 57 58.897 59.844 -0.947 1 1 682 . 1 1 1 A 59 59 TRP CB C 57 28.036 28.048 -0.012 1 1 688 . 1 1 1 A 59 59 TRP N N 57 113.433 119.137 -5.704 1 1 690 . 1 1 1 A 60 60 ILE H H 58 6.461 7.556 -1.095 1 1 691 . 1 1 1 A 60 60 ILE HA H 58 3.304 3.398 -0.094 1 1 701 . 1 1 1 A 60 60 ILE C C 58 177.726 177.870 -0.144 1 1 702 . 1 1 1 A 60 60 ILE CA C 58 64.314 64.989 -0.675 1 1 703 . 1 1 1 A 60 60 ILE CB C 58 35.897 37.505 -1.608 1 1 707 . 1 1 1 A 60 60 ILE N N 58 124.379 122.435 1.944 1 1 708 . 1 1 1 A 61 61 GLN H H 59 7.624 8.081 -0.457 1 1 709 . 1 1 1 A 61 61 GLN HA H 59 3.748 3.878 -0.130 1 1 716 . 1 1 1 A 61 61 GLN C C 59 178.434 178.714 -0.280 1 1 717 . 1 1 1 A 61 61 GLN CA C 59 59.379 59.333 0.046 1 1 718 . 1 1 1 A 61 61 GLN CB C 59 28.272 28.344 -0.072 1 1 720 . 1 1 1 A 61 61 GLN N N 59 119.070 119.032 0.038 1 1 722 . 1 1 1 A 62 62 GLU H H 60 8.064 7.950 0.114 1 1 723 . 1 1 1 A 62 62 GLU HA H 60 4.083 4.106 -0.023 1 1 728 . 1 1 1 A 62 62 GLU C C 60 179.051 178.221 0.830 1 1 729 . 1 1 1 A 62 62 GLU CA C 60 59.659 59.308 0.351 1 1 730 . 1 1 1 A 62 62 GLU CB C 60 30.457 29.609 0.848 1 1 732 . 1 1 1 A 62 62 GLU N N 60 117.166 119.920 -2.754 1 1 733 . 1 1 1 A 63 63 TYR H H 61 7.924 8.499 -0.575 1 1 734 . 1 1 1 A 63 63 TYR HA H 61 4.254 4.309 -0.055 1 1 741 . 1 1 1 A 63 63 TYR C C 61 178.617 177.549 1.068 1 1 742 . 1 1 1 A 63 63 TYR CA C 61 61.184 61.555 -0.371 1 1 743 . 1 1 1 A 63 63 TYR CB C 61 39.461 38.626 0.835 1 1 746 . 1 1 1 A 63 63 TYR N N 61 121.271 122.425 -1.154 1 1 747 . 1 1 1 A 64 64 LEU H H 62 8.260 8.976 -0.716 1 1 748 . 1 1 1 A 64 64 LEU HA H 62 3.954 3.997 -0.043 1 1 758 . 1 1 1 A 64 64 LEU C C 62 179.553 178.933 0.620 1 1 759 . 1 1 1 A 64 64 LEU CA C 62 58.014 58.226 -0.212 1 1 760 . 1 1 1 A 64 64 LEU CB C 62 42.191 41.362 0.829 1 1 764 . 1 1 1 A 64 64 LEU N N 62 116.299 120.258 -3.959 1 1 765 . 1 1 1 A 65 65 GLU H H 63 8.454 8.222 0.232 1 1 766 . 1 1 1 A 65 65 GLU HA H 63 3.840 3.931 -0.091 1 1 771 . 1 1 1 A 65 65 GLU C C 63 179.279 178.756 0.523 1 1 772 . 1 1 1 A 65 65 GLU CA C 63 60.301 60.051 0.250 1 1 773 . 1 1 1 A 65 65 GLU CB C 63 29.870 29.202 0.668 1 1 775 . 1 1 1 A 65 65 GLU N N 63 118.616 119.169 -0.553 1 1 776 . 1 1 1 A 66 66 LYS H H 64 7.575 8.154 -0.579 1 1 777 . 1 1 1 A 66 66 LYS HA H 64 4.212 4.074 0.138 1 1 786 . 1 1 1 A 66 66 LYS C C 64 178.457 178.733 -0.276 1 1 787 . 1 1 1 A 66 66 LYS CA C 64 58.496 59.239 -0.743 1 1 788 . 1 1 1 A 66 66 LYS CB C 64 32.400 31.967 0.433 1 1 792 . 1 1 1 A 66 66 LYS N N 64 117.166 118.206 -1.040 1 1 793 . 1 1 1 A 67 67 CYS H H 65 7.918 7.823 0.095 1 1 794 . 1 1 1 A 67 67 CYS HA H 65 4.526 4.289 0.237 1 1 797 . 1 1 1 A 67 67 CYS C C 65 174.893 177.194 -2.301 1 1 798 . 1 1 1 A 67 67 CYS CA C 65 56.329 61.822 -5.493 1 1 799 . 1 1 1 A 67 67 CYS CB C 65 45.235 27.792 17.443 1 1 800 . 1 1 1 A 67 67 CYS N N 65 115.330 118.456 -3.126 1 1 801 . 1 1 1 A 68 68 LEU H H 66 7.559 7.431 0.128 1 1 802 . 1 1 1 A 68 68 LEU HA H 66 4.490 4.100 0.390 1 1 812 . 1 1 1 A 68 68 LEU C C 66 176.812 177.867 -1.055 1 1 813 . 1 1 1 A 68 68 LEU CA C 66 55.366 57.156 -1.790 1 1 814 . 1 1 1 A 68 68 LEU CB C 66 43.278 41.591 1.687 1 1 818 . 1 1 1 A 68 68 LEU N N 66 120.930 122.232 -1.302 1 1 819 . 1 1 1 A 69 69 ASN H H 67 8.265 8.038 0.227 1 1 820 . 1 1 1 A 69 69 ASN HA H 67 4.669 5.010 -0.341 1 1 825 . 1 1 1 A 69 69 ASN CA C 67 53.761 54.427 -0.666 1 1 826 . 1 1 1 A 69 69 ASN CB C 67 39.069 41.021 -1.952 1 1 827 . 1 1 1 A 69 69 ASN N N 67 120.279 116.544 3.735 1 1 852 . 1 2 2 B 4 4 GLU H H 102 8.329 8.852 -0.523 1 1 853 . 1 2 2 B 4 4 GLU HA H 102 4.282 4.154 0.128 1 1 858 . 1 2 2 B 4 4 GLU C C 102 177.132 176.928 0.204 1 1 859 . 1 2 2 B 4 4 GLU CA C 102 57.410 59.431 -2.021 1 1 861 . 1 2 2 B 4 4 GLU N N 102 121.884 121.924 -0.040 1 1 862 . 1 2 2 B 5 5 GLY H H 103 8.335 8.045 0.290 1 1 863 . 1 2 2 B 5 5 GLY HA2 H 103 3.941 4.074 -0.133 1 1 864 . 1 2 2 B 5 5 GLY HA3 H 103 3.941 4.075 -0.134 1 1 865 . 1 2 2 B 5 5 GLY C C 103 174.207 174.366 -0.159 1 1 866 . 1 2 2 B 5 5 GLY CA C 103 45.731 45.517 0.214 1 1 867 . 1 2 2 B 5 5 GLY N N 103 110.055 106.454 3.601 1 1 868 . 1 2 2 B 6 6 ILE H H 104 7.831 8.309 -0.478 1 1 869 . 1 2 2 B 6 6 ILE HA H 104 4.269 4.289 -0.020 1 1 879 . 1 2 2 B 6 6 ILE C C 104 176.401 176.176 0.225 1 1 880 . 1 2 2 B 6 6 ILE CA C 104 61.558 61.815 -0.257 1 1 881 . 1 2 2 B 6 6 ILE CB C 104 39.436 39.020 0.416 1 1 885 . 1 2 2 B 6 6 ILE N N 104 119.606 125.305 -5.699 1 1 886 . 1 2 2 B 7 7 SER H H 105 8.324 7.850 0.474 1 1 887 . 1 2 2 B 7 7 SER HA H 105 4.535 4.437 0.098 1 1 890 . 1 2 2 B 7 7 SER C C 105 174.550 173.868 0.682 1 1 891 . 1 2 2 B 7 7 SER CA C 105 58.667 59.090 -0.423 1 1 892 . 1 2 2 B 7 7 SER CB C 105 64.072 64.132 -0.060 1 1 893 . 1 2 2 B 7 7 SER N N 105 119.717 117.955 1.762 1 1 937 . 1 2 2 B 11 11 SER H H 109 8.211 8.664 -0.453 1 1 938 . 1 2 2 B 11 11 SER HA H 109 4.507 4.635 -0.128 1 1 941 . 1 2 2 B 11 11 SER C C 109 174.504 173.489 1.015 1 1 942 . 1 2 2 B 11 11 SER CA C 109 58.919 58.131 0.788 1 1 943 . 1 2 2 B 11 11 SER CB C 109 64.198 63.269 0.929 1 1 944 . 1 2 2 B 11 11 SER N N 109 117.260 122.320 -5.060 1 1 945 . 1 2 2 B 12 12 ASP H H 110 8.323 7.704 0.619 1 1 946 . 1 2 2 B 12 12 ASP HA H 110 4.620 4.683 -0.063 1 1 949 . 1 2 2 B 12 12 ASP C C 110 176.058 176.729 -0.671 1 1 950 . 1 2 2 B 12 12 ASP CA C 110 55.022 52.884 2.138 1 1 951 . 1 2 2 B 12 12 ASP CB C 110 41.825 42.418 -0.593 1 1 952 . 1 2 2 B 12 12 ASP N N 110 122.020 123.405 -1.385 1 1 986 . 1 2 2 B 16 16 GLU H H 114 8.378 8.924 -0.546 1 1 987 . 1 2 2 B 16 16 GLU HA H 114 4.268 4.891 -0.623 1 1 992 . 1 2 2 B 16 16 GLU C C 114 176.766 174.326 2.440 1 1 993 . 1 2 2 B 16 16 GLU CA C 114 57.410 54.382 3.028 1 1 994 . 1 2 2 B 16 16 GLU CB C 114 30.620 33.545 -2.925 1 1 996 . 1 2 2 B 16 16 GLU N N 114 123.052 127.827 -4.775 1 1 997 . 1 2 2 B 17 17 GLU H H 115 8.326 8.757 -0.431 1 1 998 . 1 2 2 B 17 17 GLU HA H 115 4.274 4.944 -0.670 1 1 1003 . 1 2 2 B 17 17 GLU C C 115 176.880 175.639 1.241 1 1 1004 . 1 2 2 B 17 17 GLU CA C 115 57.410 55.502 1.908 1 1 1005 . 1 2 2 B 17 17 GLU CB C 115 30.525 30.112 0.413 1 1 1007 . 1 2 2 B 17 17 GLU N N 115 121.688 118.731 2.957 1 1 1008 . 1 2 2 B 18 18 MET H H 116 8.309 8.168 0.141 1 1 1009 . 1 2 2 B 18 18 MET HA H 116 4.473 4.332 0.141 1 1 1014 . 1 2 2 B 18 18 MET C C 116 177.086 176.442 0.644 1 1 1015 . 1 2 2 B 18 18 MET CA C 116 56.279 56.400 -0.121 1 1 1016 . 1 2 2 B 18 18 MET CB C 116 33.026 32.398 0.628 1 1 1017 . 1 2 2 B 18 18 MET N N 116 121.270 125.740 -4.470 1 1 1018 . 1 2 2 B 19 19 GLY H H 117 8.335 8.553 -0.218 1 1 1019 . 1 2 2 B 19 19 GLY HA2 H 117 4.054 4.173 -0.119 1 1 1020 . 1 2 2 B 19 19 GLY HA3 H 117 4.054 4.173 -0.119 1 1 1021 . 1 2 2 B 19 19 GLY C C 117 174.481 173.014 1.467 1 1 1022 . 1 2 2 B 19 19 GLY CA C 117 45.847 44.075 1.772 1 1 1023 . 1 2 2 B 19 19 GLY N N 117 110.055 111.285 -1.230 1 1 1024 . 1 2 2 B 20 20 SER H H 118 8.230 8.303 -0.073 1 1 1025 . 1 2 2 B 20 20 SER HA H 118 4.476 4.629 -0.153 1 1 1028 . 1 2 2 B 20 20 SER C C 118 175.327 173.671 1.656 1 1 1029 . 1 2 2 B 20 20 SER CA C 118 58.919 55.795 3.124 1 1 1030 . 1 2 2 B 20 20 SER CB C 118 64.575 65.538 -0.963 1 1 1031 . 1 2 2 B 20 20 SER N N 118 115.664 114.115 1.549 1 1 1032 . 1 2 2 B 21 21 GLY H H 119 8.354 8.544 -0.190 1 1 1033 . 1 2 2 B 21 21 GLY HA2 H 119 3.941 4.016 -0.075 1 1 1034 . 1 2 2 B 21 21 GLY HA3 H 119 3.941 4.016 -0.075 1 1 1035 . 1 2 2 B 21 21 GLY C C 119 174.002 172.051 1.951 1 1 1036 . 1 2 2 B 21 21 GLY CA C 119 45.721 45.609 0.112 1 1 1037 . 1 2 2 B 21 21 GLY N N 119 110.872 110.618 0.254 1 1 1068 . 1 2 2 B 25 25 SER H H 123 8.155 8.240 -0.085 1 1 1069 . 1 2 2 B 25 25 SER HA H 123 4.391 4.082 0.309 1 1 1072 . 1 2 2 B 25 25 SER C C 123 175.075 173.345 1.730 1 1 1073 . 1 2 2 B 25 25 SER CA C 123 59.347 59.664 -0.317 1 1 1074 . 1 2 2 B 25 25 SER CB C 123 63.879 62.744 1.135 1 1 1075 . 1 2 2 B 25 25 SER N N 123 116.126 114.289 1.837 1 1 1076 . 1 2 2 B 26 26 MET H H 124 8.221 7.645 0.576 1 1 1077 . 1 2 2 B 26 26 MET HA H 124 4.476 4.872 -0.396 1 1 1082 . 1 2 2 B 26 26 MET C C 124 176.355 174.924 1.431 1 1 1083 . 1 2 2 B 26 26 MET CA C 124 56.279 54.825 1.454 1 1 1084 . 1 2 2 B 26 26 MET CB C 124 32.900 33.242 -0.342 1 1 1086 . 1 2 2 B 26 26 MET N N 124 121.210 119.805 1.405 1 1 1087 . 1 2 2 B 27 27 LYS H H 125 8.025 8.379 -0.354 1 1 1088 . 1 2 2 B 27 27 LYS HA H 125 4.312 4.957 -0.645 1 1 1097 . 1 2 2 B 27 27 LYS C C 125 176.355 174.750 1.605 1 1 1098 . 1 2 2 B 27 27 LYS CA C 125 56.656 54.496 2.160 1 1 1099 . 1 2 2 B 27 27 LYS CB C 125 33.529 37.180 -3.651 1 1 1103 . 1 2 2 B 27 27 LYS N N 125 121.457 122.291 -0.834 1 1 1104 . 1 2 2 B 28 28 GLU H H 126 8.222 8.764 -0.542 1 1 1105 . 1 2 2 B 28 28 GLU N N 126 122.740 118.470 4.270 1 1 1106 . 1 2 2 B 29 29 PRO HA H 127 4.355 4.792 -0.437 1 1 1113 . 1 2 2 B 29 29 PRO C C 127 176.812 176.193 0.619 1 1 1114 . 1 2 2 B 29 29 PRO CA C 127 63.821 62.605 1.216 1 1 1115 . 1 2 2 B 29 29 PRO CB C 127 32.272 33.232 -0.960 1 1 1118 . 1 2 2 B 30 30 ALA H H 128 8.267 8.509 -0.242 1 1 1119 . 1 2 2 B 30 30 ALA HA H 128 4.269 4.682 -0.413 1 1 1123 . 1 2 2 B 30 30 ALA C C 128 177.589 177.980 -0.391 1 1 1124 . 1 2 2 B 30 30 ALA CA C 128 52.873 51.033 1.840 1 1 1125 . 1 2 2 B 30 30 ALA CB C 128 19.703 18.868 0.835 1 1 1126 . 1 2 2 B 30 30 ALA N N 128 123.577 123.135 0.442 1 1 1127 . 1 2 2 B 31 31 PHE H H 129 8.019 8.273 -0.254 1 1 1128 . 1 2 2 B 31 31 PHE HA H 129 4.621 4.391 0.230 1 1 1136 . 1 2 2 B 31 31 PHE C C 129 175.624 174.568 1.056 1 1 1137 . 1 2 2 B 31 31 PHE CA C 129 58.039 60.275 -2.236 1 1 1138 . 1 2 2 B 31 31 PHE CB C 129 40.055 38.776 1.279 1 1 1142 . 1 2 2 B 31 31 PHE N N 129 118.994 115.991 3.003 1 1 1143 . 1 2 2 B 32 32 ARG H H 130 8.029 8.088 -0.059 1 1 1144 . 1 2 2 B 32 32 ARG HA H 130 4.309 4.531 -0.222 1 1 1151 . 1 2 2 B 32 32 ARG C C 130 175.875 175.169 0.706 1 1 1152 . 1 2 2 B 32 32 ARG CA C 130 56.154 54.533 1.621 1 1 1153 . 1 2 2 B 32 32 ARG CB C 130 31.643 33.358 -1.715 1 1 1156 . 1 2 2 B 32 32 ARG N N 130 122.929 118.141 4.788 1 1 1157 . 1 2 2 B 33 33 GLU H H 131 8.374 8.844 -0.470 1 1 1158 . 1 2 2 B 33 33 GLU HA H 131 4.276 4.324 -0.048 1 1 1163 . 1 2 2 B 33 33 GLU C C 131 176.766 177.078 -0.312 1 1 1164 . 1 2 2 B 33 33 GLU CA C 131 57.285 58.456 -1.171 1 1 1165 . 1 2 2 B 33 33 GLU CB C 131 30.512 28.758 1.754 1 1 1167 . 1 2 2 B 33 33 GLU N N 131 122.719 119.519 3.200 1 1 1168 . 1 2 2 B 34 34 GLU H H 132 8.509 8.921 -0.412 1 1 1169 . 1 2 2 B 34 34 GLU HA H 132 4.271 4.472 -0.201 1 1 1174 . 1 2 2 B 34 34 GLU C C 132 176.560 176.205 0.355 1 1 1175 . 1 2 2 B 34 34 GLU CA C 132 57.400 57.329 0.071 1 1 1176 . 1 2 2 B 34 34 GLU CB C 132 30.530 31.258 -0.728 1 1 1178 . 1 2 2 B 34 34 GLU N N 132 122.122 123.011 -0.889 1 1 1179 . 1 2 2 B 35 35 ASN H H 133 8.362 7.722 0.640 1 1 1180 . 1 2 2 B 35 35 ASN HA H 133 4.693 4.974 -0.281 1 1 1183 . 1 2 2 B 35 35 ASN C C 133 175.258 172.978 2.280 1 1 1184 . 1 2 2 B 35 35 ASN CA C 133 53.765 53.051 0.714 1 1 1185 . 1 2 2 B 35 35 ASN CB C 133 39.562 41.996 -2.434 1 1 1186 . 1 2 2 B 35 35 ASN N N 133 119.552 115.590 3.962 1 1 1187 . 1 2 2 B 36 36 ALA H H 134 8.155 8.505 -0.350 1 1 1188 . 1 2 2 B 36 36 ALA HA H 134 4.265 4.433 -0.168 1 1 1192 . 1 2 2 B 36 36 ALA C C 134 177.520 177.505 0.015 1 1 1193 . 1 2 2 B 36 36 ALA CA C 134 52.873 51.328 1.545 1 1 1194 . 1 2 2 B 36 36 ALA CB C 134 19.703 17.788 1.915 1 1 1195 . 1 2 2 B 36 36 ALA N N 134 124.376 125.865 -1.489 1 1 1196 . 1 2 2 B 37 37 ASN H H 135 8.210 8.617 -0.407 1 1 1197 . 1 2 2 B 37 37 ASN HA H 135 4.688 4.426 0.262 1 1 1200 . 1 2 2 B 37 37 ASN C C 135 175.144 175.292 -0.148 1 1 1201 . 1 2 2 B 37 37 ASN CA C 135 53.640 53.950 -0.310 1 1 1202 . 1 2 2 B 37 37 ASN CB C 135 39.311 36.966 2.345 1 1 1203 . 1 2 2 B 37 37 ASN N N 135 117.103 121.098 -3.995 1 1 1204 . 1 2 2 B 38 38 PHE H H 136 7.997 8.304 -0.307 1 1 1205 . 1 2 2 B 38 38 PHE HA H 136 4.623 4.983 -0.360 1 1 1212 . 1 2 2 B 38 38 PHE C C 136 175.601 175.013 0.588 1 1 1213 . 1 2 2 B 38 38 PHE CA C 136 58.165 56.095 2.070 1 1 1214 . 1 2 2 B 38 38 PHE CB C 136 39.939 39.563 0.376 1 1 1217 . 1 2 2 B 38 38 PHE N N 136 120.229 124.418 -4.189 1 1 1218 . 1 2 2 B 39 39 ASN H H 137 8.272 8.403 -0.131 1 1 1219 . 1 2 2 B 39 39 ASN HA H 137 4.702 4.735 -0.033 1 1 1222 . 1 2 2 B 39 39 ASN C C 137 174.047 175.163 -1.116 1 1 1223 . 1 2 2 B 39 39 ASN CA C 137 53.891 53.251 0.640 1 1 1224 . 1 2 2 B 39 39 ASN CB C 137 39.688 40.209 -0.521 1 1 1225 . 1 2 2 B 39 39 ASN N N 137 120.594 125.232 -4.638 1 1 3 . 2 1 1 A 4 4 PRO HA H 2 4.510 4.667 -0.157 1 1 10 . 2 1 1 A 4 4 PRO C C 2 177.132 176.646 0.486 1 1 11 . 2 1 1 A 4 4 PRO CA C 2 63.529 62.273 1.256 1 1 12 . 2 1 1 A 4 4 PRO CB C 2 32.476 31.940 0.536 1 1 15 . 2 1 1 A 5 5 VAL H H 3 8.201 8.133 0.068 1 1 16 . 2 1 1 A 5 5 VAL HA H 3 4.140 4.252 -0.112 1 1 24 . 2 1 1 A 5 5 VAL C C 3 176.423 175.176 1.247 1 1 25 . 2 1 1 A 5 5 VAL CA C 3 62.873 61.450 1.423 1 1 26 . 2 1 1 A 5 5 VAL CB C 3 33.455 31.695 1.760 1 1 28 . 2 1 1 A 5 5 VAL N N 3 120.488 118.265 2.223 1 1 29 . 2 1 1 A 6 6 SER H H 4 8.276 8.616 -0.340 1 1 30 . 2 1 1 A 6 6 SER HA H 4 4.487 4.739 -0.252 1 1 33 . 2 1 1 A 6 6 SER C C 4 174.687 173.894 0.793 1 1 34 . 2 1 1 A 6 6 SER CA C 4 58.375 57.769 0.606 1 1 35 . 2 1 1 A 6 6 SER CB C 4 64.295 62.458 1.837 1 1 36 . 2 1 1 A 6 6 SER N N 4 119.000 121.692 -2.692 1 1 37 . 2 1 1 A 7 7 LEU H H 5 8.238 8.198 0.040 1 1 38 . 2 1 1 A 7 7 LEU HA H 5 4.397 4.681 -0.284 1 1 44 . 2 1 1 A 7 7 LEU C C 5 177.406 176.330 1.076 1 1 45 . 2 1 1 A 7 7 LEU CA C 5 55.766 53.765 2.001 1 1 46 . 2 1 1 A 7 7 LEU CB C 5 43.132 42.826 0.306 1 1 48 . 2 1 1 A 7 7 LEU N N 5 124.704 124.379 0.325 1 1 49 . 2 1 1 A 8 8 SER H H 6 8.148 8.708 -0.560 1 1 50 . 2 1 1 A 8 8 SER HA H 6 4.438 4.760 -0.322 1 1 53 . 2 1 1 A 8 8 SER C C 6 174.321 172.345 1.976 1 1 54 . 2 1 1 A 8 8 SER CA C 6 58.718 57.568 1.150 1 1 55 . 2 1 1 A 8 8 SER CB C 6 64.295 67.180 -2.885 1 1 56 . 2 1 1 A 8 8 SER N N 6 115.960 117.352 -1.392 1 1 57 . 2 1 1 A 9 9 TYR H H 7 7.915 8.714 -0.799 1 1 58 . 2 1 1 A 9 9 TYR HA H 7 4.585 4.752 -0.167 1 1 65 . 2 1 1 A 9 9 TYR C C 7 175.532 175.611 -0.079 1 1 66 . 2 1 1 A 9 9 TYR CA C 7 58.335 57.102 1.233 1 1 67 . 2 1 1 A 9 9 TYR CB C 7 39.474 36.925 2.549 1 1 70 . 2 1 1 A 9 9 TYR N N 7 121.884 120.965 0.919 1 1 71 . 2 1 1 A 10 10 ARG H H 8 8.117 8.092 0.025 1 1 72 . 2 1 1 A 10 10 ARG HA H 8 4.337 4.840 -0.503 1 1 79 . 2 1 1 A 10 10 ARG C C 8 175.898 174.822 1.076 1 1 80 . 2 1 1 A 10 10 ARG CA C 8 56.048 53.859 2.189 1 1 81 . 2 1 1 A 10 10 ARG CB C 8 31.492 34.590 -3.098 1 1 84 . 2 1 1 A 10 10 ARG N N 8 121.977 121.245 0.732 1 1 85 . 2 1 1 A 11 11 CYS H H 9 8.127 8.732 -0.605 1 1 86 . 2 1 1 A 11 11 CYS HA H 9 4.984 4.948 0.036 1 1 89 . 2 1 1 A 11 11 CYS C C 9 177.771 173.904 3.867 1 1 90 . 2 1 1 A 11 11 CYS CA C 9 53.192 54.909 -1.717 1 1 91 . 2 1 1 A 11 11 CYS CB C 9 40.897 42.671 -1.774 1 1 92 . 2 1 1 A 11 11 CYS N N 9 121.209 120.225 0.984 1 1 93 . 2 1 1 A 12 12 PRO HA H 10 4.321 4.300 0.021 1 1 100 . 2 1 1 A 12 12 PRO CA C 10 65.478 65.436 0.042 1 1 101 . 2 1 1 A 12 12 PRO CB C 10 32.904 31.403 1.501 1 1 104 . 2 1 1 A 13 13 CYS H H 11 8.633 8.188 0.445 1 1 105 . 2 1 1 A 13 13 CYS C C 11 174.618 173.695 0.923 1 1 106 . 2 1 1 A 13 13 CYS N N 11 114.595 115.943 -1.348 1 1 107 . 2 1 1 A 14 14 ARG H H 12 8.236 8.885 -0.649 1 1 108 . 2 1 1 A 14 14 ARG HA H 12 4.067 4.018 0.049 1 1 115 . 2 1 1 A 14 14 ARG C C 12 175.098 175.201 -0.103 1 1 116 . 2 1 1 A 14 14 ARG CA C 12 57.370 57.829 -0.459 1 1 117 . 2 1 1 A 14 14 ARG CB C 12 31.631 30.784 0.847 1 1 120 . 2 1 1 A 14 14 ARG N N 12 122.779 127.412 -4.633 1 1 121 . 2 1 1 A 15 15 PHE H H 13 7.571 7.565 0.006 1 1 122 . 2 1 1 A 15 15 PHE HA H 13 4.510 4.928 -0.418 1 1 129 . 2 1 1 A 15 15 PHE C C 13 174.162 174.950 -0.788 1 1 130 . 2 1 1 A 15 15 PHE CA C 13 56.289 56.192 0.097 1 1 131 . 2 1 1 A 15 15 PHE CB C 13 41.320 42.934 -1.614 1 1 134 . 2 1 1 A 15 15 PHE N N 13 116.797 115.715 1.082 1 1 135 . 2 1 1 A 16 16 PHE H H 14 8.084 8.666 -0.582 1 1 136 . 2 1 1 A 16 16 PHE HA H 14 4.767 5.654 -0.887 1 1 143 . 2 1 1 A 16 16 PHE C C 14 175.441 172.901 2.540 1 1 144 . 2 1 1 A 16 16 PHE CA C 14 55.767 55.234 0.533 1 1 145 . 2 1 1 A 16 16 PHE CB C 14 41.320 42.642 -1.322 1 1 148 . 2 1 1 A 16 16 PHE N N 14 118.930 117.882 1.048 1 1 149 . 2 1 1 A 17 17 GLU H H 15 8.815 9.371 -0.556 1 1 150 . 2 1 1 A 17 17 GLU HA H 15 4.579 4.490 0.089 1 1 155 . 2 1 1 A 17 17 GLU C C 15 176.857 176.800 0.057 1 1 156 . 2 1 1 A 17 17 GLU CA C 15 56.289 56.173 0.116 1 1 157 . 2 1 1 A 17 17 GLU CB C 15 31.173 30.721 0.452 1 1 159 . 2 1 1 A 17 17 GLU N N 15 122.929 121.467 1.462 1 1 160 . 2 1 1 A 18 18 SER H H 16 8.751 8.703 0.048 1 1 161 . 2 1 1 A 18 18 SER HA H 16 4.762 4.555 0.207 1 1 164 . 2 1 1 A 18 18 SER C C 16 177.497 174.522 2.975 1 1 165 . 2 1 1 A 18 18 SER CA C 16 59.328 58.680 0.648 1 1 166 . 2 1 1 A 18 18 SER CB C 16 64.515 64.472 0.043 1 1 167 . 2 1 1 A 18 18 SER N N 16 118.860 114.563 4.297 1 1 168 . 2 1 1 A 19 19 HIS H H 17 8.761 8.172 0.589 1 1 169 . 2 1 1 A 19 19 HIS HA H 17 4.832 4.783 0.049 1 1 174 . 2 1 1 A 19 19 HIS C C 17 174.618 174.545 0.073 1 1 175 . 2 1 1 A 19 19 HIS CA C 17 56.449 54.777 1.672 1 1 176 . 2 1 1 A 19 19 HIS CB C 17 30.214 27.674 2.540 1 1 179 . 2 1 1 A 19 19 HIS N N 17 120.535 119.368 1.167 1 1 180 . 2 1 1 A 20 20 VAL H H 18 7.085 8.745 -1.660 1 1 181 . 2 1 1 A 20 20 VAL HA H 18 4.160 4.799 -0.639 1 1 189 . 2 1 1 A 20 20 VAL C C 18 174.436 174.497 -0.061 1 1 190 . 2 1 1 A 20 20 VAL CA C 18 62.167 60.301 1.866 1 1 191 . 2 1 1 A 20 20 VAL CB C 18 34.426 34.905 -0.479 1 1 193 . 2 1 1 A 20 20 VAL N N 18 120.872 123.358 -2.486 1 1 194 . 2 1 1 A 21 21 ALA H H 19 8.521 8.668 -0.147 1 1 195 . 2 1 1 A 21 21 ALA HA H 19 4.367 4.386 -0.019 1 1 199 . 2 1 1 A 21 21 ALA C C 19 177.657 178.315 -0.658 1 1 200 . 2 1 1 A 21 21 ALA CA C 19 51.193 50.850 0.343 1 1 201 . 2 1 1 A 21 21 ALA CB C 19 19.790 20.172 -0.382 1 1 202 . 2 1 1 A 21 21 ALA N N 19 131.339 127.307 4.032 1 1 203 . 2 1 1 A 22 22 ARG H H 20 7.790 8.188 -0.398 1 1 204 . 2 1 1 A 22 22 ARG HA H 20 2.451 3.247 -0.796 1 1 211 . 2 1 1 A 22 22 ARG C C 20 178.365 177.306 1.059 1 1 212 . 2 1 1 A 22 22 ARG CA C 20 59.379 57.503 1.876 1 1 213 . 2 1 1 A 22 22 ARG CB C 20 29.572 28.849 0.723 1 1 216 . 2 1 1 A 22 22 ARG N N 20 124.365 123.739 0.626 1 1 217 . 2 1 1 A 23 23 ALA H H 21 8.120 7.614 0.506 1 1 218 . 2 1 1 A 23 23 ALA HA H 21 4.060 4.107 -0.047 1 1 222 . 2 1 1 A 23 23 ALA C C 21 178.000 179.737 -1.737 1 1 223 . 2 1 1 A 23 23 ALA CA C 21 54.100 53.668 0.432 1 1 224 . 2 1 1 A 23 23 ALA CB C 21 18.713 18.446 0.267 1 1 225 . 2 1 1 A 23 23 ALA N N 21 117.156 121.892 -4.736 1 1 226 . 2 1 1 A 24 24 ASN H H 22 7.707 7.739 -0.032 1 1 227 . 2 1 1 A 24 24 ASN HA H 22 5.010 4.705 0.305 1 1 232 . 2 1 1 A 24 24 ASN C C 22 174.938 174.857 0.081 1 1 233 . 2 1 1 A 24 24 ASN CA C 22 52.869 53.655 -0.786 1 1 234 . 2 1 1 A 24 24 ASN CB C 22 40.573 38.740 1.833 1 1 235 . 2 1 1 A 24 24 ASN N N 22 112.819 115.401 -2.582 1 1 237 . 2 1 1 A 25 25 VAL H H 23 7.489 7.420 0.069 1 1 238 . 2 1 1 A 25 25 VAL HA H 23 4.888 4.158 0.730 1 1 246 . 2 1 1 A 25 25 VAL C C 23 175.829 175.726 0.103 1 1 247 . 2 1 1 A 25 25 VAL CA C 23 59.870 60.899 -1.029 1 1 248 . 2 1 1 A 25 25 VAL CB C 23 35.396 33.057 2.339 1 1 251 . 2 1 1 A 25 25 VAL N N 23 119.721 117.392 2.329 1 1 252 . 2 1 1 A 26 26 LYS H H 24 9.480 9.053 0.427 1 1 253 . 2 1 1 A 26 26 LYS HA H 24 4.353 4.327 0.026 1 1 262 . 2 1 1 A 26 26 LYS C C 24 176.606 176.494 0.112 1 1 263 . 2 1 1 A 26 26 LYS CA C 24 58.977 57.259 1.718 1 1 264 . 2 1 1 A 26 26 LYS CB C 24 34.567 33.159 1.408 1 1 268 . 2 1 1 A 26 26 LYS N N 24 127.843 123.071 4.772 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 4.918 0.061 1 1 275 . 2 1 1 A 27 27 HIS C C 25 178.434 172.568 5.866 1 1 276 . 2 1 1 A 27 27 HIS CA C 25 55.406 54.679 0.727 1 1 277 . 2 1 1 A 27 27 HIS CB C 25 32.480 31.291 1.189 1 1 280 . 2 1 1 A 27 27 HIS N N 25 109.556 114.459 -4.903 1 1 281 . 2 1 1 A 28 28 LEU H H 26 8.189 8.719 -0.530 1 1 282 . 2 1 1 A 28 28 LEU HA H 26 5.190 5.228 -0.038 1 1 292 . 2 1 1 A 28 28 LEU C C 26 175.510 175.343 0.167 1 1 293 . 2 1 1 A 28 28 LEU CA C 26 53.480 53.592 -0.112 1 1 294 . 2 1 1 A 28 28 LEU CB C 26 45.235 45.478 -0.243 1 1 298 . 2 1 1 A 28 28 LEU N N 26 117.260 119.674 -2.414 1 1 299 . 2 1 1 A 29 29 LYS H H 27 9.572 8.994 0.578 1 1 300 . 2 1 1 A 29 29 LYS HA H 27 5.372 5.269 0.103 1 1 309 . 2 1 1 A 29 29 LYS C C 27 174.801 174.463 0.338 1 1 310 . 2 1 1 A 29 29 LYS CA C 27 55.165 54.901 0.264 1 1 311 . 2 1 1 A 29 29 LYS CB C 27 35.253 36.196 -0.943 1 1 315 . 2 1 1 A 29 29 LYS N N 27 123.488 123.072 0.416 1 1 316 . 2 1 1 A 30 30 ILE H H 28 9.136 8.993 0.143 1 1 317 . 2 1 1 A 30 30 ILE HA H 28 4.924 5.618 -0.694 1 1 327 . 2 1 1 A 30 30 ILE C C 28 176.949 174.821 2.128 1 1 328 . 2 1 1 A 30 30 ILE CA C 28 60.542 59.432 1.110 1 1 329 . 2 1 1 A 30 30 ILE CB C 28 39.600 40.394 -0.794 1 1 333 . 2 1 1 A 30 30 ILE N N 28 123.846 127.015 -3.169 1 1 334 . 2 1 1 A 31 31 LEU H H 29 8.805 8.941 -0.136 1 1 335 . 2 1 1 A 31 31 LEU HA H 29 4.535 5.128 -0.593 1 1 344 . 2 1 1 A 31 31 LEU C C 29 176.012 175.577 0.435 1 1 345 . 2 1 1 A 31 31 LEU CA C 29 55.366 53.798 1.568 1 1 346 . 2 1 1 A 31 31 LEU CB C 29 43.180 45.115 -1.935 1 1 349 . 2 1 1 A 31 31 LEU N N 29 128.649 127.132 1.517 1 1 350 . 2 1 1 A 32 32 ASN H H 30 8.216 8.659 -0.443 1 1 351 . 2 1 1 A 32 32 ASN HA H 30 5.005 4.929 0.076 1 1 356 . 2 1 1 A 32 32 ASN C C 30 174.664 174.361 0.303 1 1 357 . 2 1 1 A 32 32 ASN CA C 30 52.517 52.209 0.308 1 1 358 . 2 1 1 A 32 32 ASN CB C 30 38.776 39.023 -0.247 1 1 359 . 2 1 1 A 32 32 ASN N N 30 120.791 120.788 0.003 1 1 361 . 2 1 1 A 33 33 THR H H 31 7.883 8.617 -0.734 1 1 362 . 2 1 1 A 33 33 THR HA H 31 4.842 5.049 -0.207 1 1 367 . 2 1 1 A 33 33 THR CA C 31 58.369 58.617 -0.248 1 1 368 . 2 1 1 A 33 33 THR CB C 31 70.018 69.944 0.074 1 1 370 . 2 1 1 A 33 33 THR N N 31 115.811 117.082 -1.271 1 1 371 . 2 1 1 A 34 34 PRO HA H 32 4.317 4.600 -0.283 1 1 378 . 2 1 1 A 34 34 PRO CA C 32 65.164 64.251 0.913 1 1 379 . 2 1 1 A 34 34 PRO CB C 32 32.484 31.966 0.518 1 1 382 . 2 1 1 A 35 35 ASN H H 33 8.259 8.298 -0.039 1 1 383 . 2 1 1 A 35 35 ASN HA H 33 4.651 4.794 -0.143 1 1 388 . 2 1 1 A 35 35 ASN C C 33 174.710 174.846 -0.136 1 1 389 . 2 1 1 A 35 35 ASN CA C 33 54.532 53.601 0.931 1 1 390 . 2 1 1 A 35 35 ASN CB C 33 39.167 38.779 0.388 1 1 391 . 2 1 1 A 35 35 ASN N N 33 120.081 114.894 5.187 1 1 393 . 2 1 1 A 36 36 CYS H H 34 7.569 7.643 -0.074 1 1 394 . 2 1 1 A 36 36 CYS HA H 34 4.675 4.983 -0.308 1 1 397 . 2 1 1 A 36 36 CYS C C 34 173.865 174.051 -0.186 1 1 398 . 2 1 1 A 36 36 CYS CA C 34 55.447 54.809 0.638 1 1 399 . 2 1 1 A 36 36 CYS CB C 34 45.228 46.151 -0.923 1 1 400 . 2 1 1 A 36 36 CYS N N 34 117.076 115.740 1.336 1 1 401 . 2 1 1 A 37 37 ALA H H 35 8.472 8.467 0.005 1 1 402 . 2 1 1 A 37 37 ALA HA H 35 4.223 4.094 0.129 1 1 406 . 2 1 1 A 37 37 ALA C C 35 176.423 177.031 -0.608 1 1 407 . 2 1 1 A 37 37 ALA CA C 35 53.537 55.509 -1.972 1 1 408 . 2 1 1 A 37 37 ALA CB C 35 19.202 19.183 0.019 1 1 409 . 2 1 1 A 37 37 ALA N N 35 125.153 124.208 0.945 1 1 410 . 2 1 1 A 38 38 CYS H H 36 8.316 7.606 0.710 1 1 411 . 2 1 1 A 38 38 CYS HA H 36 4.196 4.671 -0.475 1 1 414 . 2 1 1 A 38 38 CYS C C 36 173.705 171.833 1.872 1 1 415 . 2 1 1 A 38 38 CYS CA C 36 58.616 58.181 0.435 1 1 416 . 2 1 1 A 38 38 CYS CB C 36 45.705 30.698 15.007 1 1 417 . 2 1 1 A 38 38 CYS N N 36 118.837 112.681 6.156 1 1 418 . 2 1 1 A 39 39 GLN H H 37 8.928 8.405 0.523 1 1 419 . 2 1 1 A 39 39 GLN HA H 37 4.596 4.920 -0.324 1 1 426 . 2 1 1 A 39 39 GLN C C 37 173.636 174.484 -0.848 1 1 427 . 2 1 1 A 39 39 GLN CA C 37 54.603 54.389 0.214 1 1 428 . 2 1 1 A 39 39 GLN CB C 37 31.761 30.869 0.892 1 1 430 . 2 1 1 A 39 39 GLN N N 37 128.567 123.992 4.575 1 1 432 . 2 1 1 A 40 40 ILE H H 38 8.851 9.027 -0.176 1 1 433 . 2 1 1 A 40 40 ILE HA H 38 5.087 4.884 0.203 1 1 443 . 2 1 1 A 40 40 ILE C C 38 174.390 175.018 -0.628 1 1 444 . 2 1 1 A 40 40 ILE CA C 38 60.582 59.888 0.694 1 1 445 . 2 1 1 A 40 40 ILE CB C 38 40.048 39.077 0.971 1 1 449 . 2 1 1 A 40 40 ILE N N 38 123.962 127.730 -3.768 1 1 450 . 2 1 1 A 41 41 VAL H H 39 9.090 9.483 -0.393 1 1 451 . 2 1 1 A 41 41 VAL HA H 39 4.822 5.006 -0.184 1 1 459 . 2 1 1 A 41 41 VAL C C 39 175.487 175.011 0.476 1 1 460 . 2 1 1 A 41 41 VAL CA C 39 59.980 61.002 -1.022 1 1 461 . 2 1 1 A 41 41 VAL CB C 39 35.868 34.452 1.416 1 1 464 . 2 1 1 A 41 41 VAL N N 39 126.354 128.705 -2.351 1 1 465 . 2 1 1 A 42 42 ALA H H 40 9.513 8.910 0.603 1 1 466 . 2 1 1 A 42 42 ALA HA H 40 5.137 5.187 -0.050 1 1 470 . 2 1 1 A 42 42 ALA C C 40 175.944 175.616 0.328 1 1 471 . 2 1 1 A 42 42 ALA CA C 40 50.591 50.641 -0.050 1 1 472 . 2 1 1 A 42 42 ALA CB C 40 22.432 22.741 -0.309 1 1 473 . 2 1 1 A 42 42 ALA N N 40 128.406 128.458 -0.052 1 1 474 . 2 1 1 A 43 43 ARG H H 41 7.720 8.456 -0.736 1 1 475 . 2 1 1 A 43 43 ARG HA H 41 4.959 4.671 0.288 1 1 482 . 2 1 1 A 43 43 ARG C C 41 175.510 175.642 -0.132 1 1 483 . 2 1 1 A 43 43 ARG CA C 41 54.162 55.642 -1.480 1 1 484 . 2 1 1 A 43 43 ARG CB C 41 31.200 30.982 0.218 1 1 487 . 2 1 1 A 43 43 ARG N N 41 121.795 122.974 -1.179 1 1 488 . 2 1 1 A 44 44 LEU H H 42 9.164 8.118 1.046 1 1 489 . 2 1 1 A 44 44 LEU HA H 42 5.021 4.511 0.510 1 1 499 . 2 1 1 A 44 44 LEU C C 42 177.840 177.633 0.207 1 1 500 . 2 1 1 A 44 44 LEU CA C 42 54.724 54.910 -0.186 1 1 501 . 2 1 1 A 44 44 LEU CB C 42 41.712 42.125 -0.413 1 1 505 . 2 1 1 A 44 44 LEU N N 42 129.087 124.704 4.383 1 1 506 . 2 1 1 A 45 45 LYS H H 43 8.396 8.717 -0.321 1 1 507 . 2 1 1 A 45 45 LYS HA H 43 3.950 4.148 -0.198 1 1 516 . 2 1 1 A 45 45 LYS CA C 43 59.016 56.841 2.175 1 1 517 . 2 1 1 A 45 45 LYS CB C 43 34.102 33.193 0.909 1 1 520 . 2 1 1 A 45 45 LYS N N 43 119.674 121.291 -1.617 1 1 521 . 2 1 1 A 48 48 ASN HA H 46 4.709 5.119 -0.410 1 1 526 . 2 1 1 A 48 48 ASN C C 46 175.098 174.448 0.650 1 1 527 . 2 1 1 A 48 48 ASN CA C 46 54.764 51.979 2.785 1 1 528 . 2 1 1 A 48 48 ASN CB C 46 39.265 41.673 -2.408 1 1 530 . 2 1 1 A 49 49 ARG H H 47 7.923 8.484 -0.561 1 1 531 . 2 1 1 A 49 49 ARG HA H 47 4.368 4.696 -0.328 1 1 538 . 2 1 1 A 49 49 ARG C C 47 175.601 174.846 0.755 1 1 539 . 2 1 1 A 49 49 ARG CA C 47 57.051 54.248 2.803 1 1 540 . 2 1 1 A 49 49 ARG CB C 47 32.121 31.563 0.558 1 1 543 . 2 1 1 A 49 49 ARG N N 47 119.826 119.163 0.663 1 1 544 . 2 1 1 A 50 50 GLN H H 48 8.547 8.450 0.097 1 1 545 . 2 1 1 A 50 50 GLN HA H 48 5.441 4.909 0.532 1 1 552 . 2 1 1 A 50 50 GLN C C 48 175.578 175.558 0.020 1 1 553 . 2 1 1 A 50 50 GLN CA C 48 55.125 55.195 -0.070 1 1 554 . 2 1 1 A 50 50 GLN CB C 48 32.121 30.366 1.755 1 1 556 . 2 1 1 A 50 50 GLN N N 48 120.767 120.370 0.397 1 1 558 . 2 1 1 A 51 51 VAL H H 49 8.630 8.983 -0.353 1 1 559 . 2 1 1 A 51 51 VAL HA H 49 4.826 4.921 -0.095 1 1 567 . 2 1 1 A 51 51 VAL C C 49 175.258 174.378 0.880 1 1 568 . 2 1 1 A 51 51 VAL CA C 49 59.338 59.380 -0.042 1 1 569 . 2 1 1 A 51 51 VAL CB C 49 36.155 35.226 0.929 1 1 572 . 2 1 1 A 51 51 VAL N N 49 116.678 119.346 -2.668 1 1 573 . 2 1 1 A 52 52 CYS H H 50 9.095 8.941 0.154 1 1 574 . 2 1 1 A 52 52 CYS HA H 50 5.278 5.329 -0.051 1 1 577 . 2 1 1 A 52 52 CYS C C 50 174.527 172.576 1.951 1 1 578 . 2 1 1 A 52 52 CYS CA C 50 58.054 54.529 3.525 1 1 579 . 2 1 1 A 52 52 CYS CB C 50 43.162 44.400 -1.238 1 1 580 . 2 1 1 A 52 52 CYS N N 50 124.549 119.831 4.718 1 1 581 . 2 1 1 A 53 53 ILE H H 51 8.485 9.512 -1.027 1 1 582 . 2 1 1 A 53 53 ILE HA H 51 4.973 4.791 0.182 1 1 592 . 2 1 1 A 53 53 ILE C C 51 173.019 174.918 -1.899 1 1 593 . 2 1 1 A 53 53 ILE CA C 51 58.897 59.992 -1.095 1 1 594 . 2 1 1 A 53 53 ILE CB C 51 42.201 41.326 0.875 1 1 598 . 2 1 1 A 53 53 ILE N N 51 122.581 124.722 -2.141 1 1 599 . 2 1 1 A 54 54 ASP H H 52 7.661 8.670 -1.009 1 1 600 . 2 1 1 A 54 54 ASP HA H 52 3.611 3.833 -0.222 1 1 603 . 2 1 1 A 54 54 ASP CA C 52 51.574 51.633 -0.059 1 1 604 . 2 1 1 A 54 54 ASP CB C 52 42.515 41.958 0.557 1 1 605 . 2 1 1 A 54 54 ASP N N 52 125.772 127.378 -1.606 1 1 606 . 2 1 1 A 55 55 PRO HA H 53 4.010 4.352 -0.342 1 1 613 . 2 1 1 A 55 55 PRO C C 53 176.126 176.579 -0.453 1 1 614 . 2 1 1 A 55 55 PRO CA C 53 63.993 63.717 0.276 1 1 615 . 2 1 1 A 55 55 PRO CB C 53 33.002 31.728 1.274 1 1 618 . 2 1 1 A 56 56 LYS H H 54 7.930 8.045 -0.115 1 1 619 . 2 1 1 A 56 56 LYS HA H 54 3.988 4.349 -0.361 1 1 628 . 2 1 1 A 56 56 LYS C C 54 177.931 176.108 1.823 1 1 629 . 2 1 1 A 56 56 LYS CA C 54 56.770 56.314 0.456 1 1 630 . 2 1 1 A 56 56 LYS CB C 54 32.023 33.210 -1.187 1 1 634 . 2 1 1 A 56 56 LYS N N 54 112.924 116.095 -3.171 1 1 635 . 2 1 1 A 57 57 LEU H H 55 7.161 6.877 0.284 1 1 636 . 2 1 1 A 57 57 LEU HA H 55 4.059 3.957 0.102 1 1 646 . 2 1 1 A 57 57 LEU C C 55 179.416 177.474 1.942 1 1 647 . 2 1 1 A 57 57 LEU CA C 55 56.088 55.828 0.260 1 1 648 . 2 1 1 A 57 57 LEU CB C 55 42.191 43.412 -1.221 1 1 652 . 2 1 1 A 57 57 LEU N N 55 120.593 122.703 -2.110 1 1 653 . 2 1 1 A 58 58 LYS H H 56 8.720 8.866 -0.146 1 1 654 . 2 1 1 A 58 58 LYS HA H 56 3.911 3.857 0.054 1 1 663 . 2 1 1 A 58 58 LYS C C 56 178.937 177.975 0.962 1 1 664 . 2 1 1 A 58 58 LYS CA C 56 60.301 59.873 0.428 1 1 665 . 2 1 1 A 58 58 LYS CB C 56 32.121 32.265 -0.144 1 1 669 . 2 1 1 A 58 58 LYS N N 56 125.479 126.282 -0.803 1 1 670 . 2 1 1 A 59 59 TRP H H 57 7.811 8.229 -0.418 1 1 671 . 2 1 1 A 59 59 TRP HA H 57 4.664 4.454 0.210 1 1 680 . 2 1 1 A 59 59 TRP C C 57 178.868 179.252 -0.384 1 1 681 . 2 1 1 A 59 59 TRP CA C 57 58.897 59.895 -0.998 1 1 682 . 2 1 1 A 59 59 TRP CB C 57 28.036 28.011 0.025 1 1 688 . 2 1 1 A 59 59 TRP N N 57 113.433 118.781 -5.348 1 1 690 . 2 1 1 A 60 60 ILE H H 58 6.461 7.530 -1.069 1 1 691 . 2 1 1 A 60 60 ILE HA H 58 3.304 3.529 -0.225 1 1 701 . 2 1 1 A 60 60 ILE C C 58 177.726 177.866 -0.140 1 1 702 . 2 1 1 A 60 60 ILE CA C 58 64.314 64.727 -0.413 1 1 703 . 2 1 1 A 60 60 ILE CB C 58 35.897 36.950 -1.053 1 1 707 . 2 1 1 A 60 60 ILE N N 58 124.379 122.515 1.864 1 1 708 . 2 1 1 A 61 61 GLN H H 59 7.624 8.395 -0.771 1 1 709 . 2 1 1 A 61 61 GLN HA H 59 3.748 3.891 -0.143 1 1 716 . 2 1 1 A 61 61 GLN C C 59 178.434 179.087 -0.653 1 1 717 . 2 1 1 A 61 61 GLN CA C 59 59.379 59.435 -0.056 1 1 718 . 2 1 1 A 61 61 GLN CB C 59 28.272 28.324 -0.052 1 1 720 . 2 1 1 A 61 61 GLN N N 59 119.070 118.622 0.448 1 1 722 . 2 1 1 A 62 62 GLU H H 60 8.064 8.335 -0.271 1 1 723 . 2 1 1 A 62 62 GLU HA H 60 4.083 4.098 -0.015 1 1 728 . 2 1 1 A 62 62 GLU C C 60 179.051 178.563 0.488 1 1 729 . 2 1 1 A 62 62 GLU CA C 60 59.659 59.298 0.361 1 1 730 . 2 1 1 A 62 62 GLU CB C 60 30.457 29.531 0.926 1 1 732 . 2 1 1 A 62 62 GLU N N 60 117.166 120.369 -3.203 1 1 733 . 2 1 1 A 63 63 TYR H H 61 7.924 7.872 0.052 1 1 734 . 2 1 1 A 63 63 TYR HA H 61 4.254 4.279 -0.025 1 1 741 . 2 1 1 A 63 63 TYR C C 61 178.617 177.626 0.991 1 1 742 . 2 1 1 A 63 63 TYR CA C 61 61.184 61.570 -0.386 1 1 743 . 2 1 1 A 63 63 TYR CB C 61 39.461 38.455 1.006 1 1 746 . 2 1 1 A 63 63 TYR N N 61 121.271 122.456 -1.185 1 1 747 . 2 1 1 A 64 64 LEU H H 62 8.260 9.071 -0.811 1 1 748 . 2 1 1 A 64 64 LEU HA H 62 3.954 3.981 -0.027 1 1 758 . 2 1 1 A 64 64 LEU C C 62 179.553 178.999 0.554 1 1 759 . 2 1 1 A 64 64 LEU CA C 62 58.014 58.274 -0.260 1 1 760 . 2 1 1 A 64 64 LEU CB C 62 42.191 41.648 0.543 1 1 764 . 2 1 1 A 64 64 LEU N N 62 116.299 120.162 -3.863 1 1 765 . 2 1 1 A 65 65 GLU H H 63 8.454 8.182 0.272 1 1 766 . 2 1 1 A 65 65 GLU HA H 63 3.840 3.880 -0.040 1 1 771 . 2 1 1 A 65 65 GLU C C 63 179.279 178.666 0.613 1 1 772 . 2 1 1 A 65 65 GLU CA C 63 60.301 60.063 0.238 1 1 773 . 2 1 1 A 65 65 GLU CB C 63 29.870 29.262 0.608 1 1 775 . 2 1 1 A 65 65 GLU N N 63 118.616 119.161 -0.545 1 1 776 . 2 1 1 A 66 66 LYS H H 64 7.575 8.202 -0.627 1 1 777 . 2 1 1 A 66 66 LYS HA H 64 4.212 4.066 0.146 1 1 786 . 2 1 1 A 66 66 LYS C C 64 178.457 178.382 0.075 1 1 787 . 2 1 1 A 66 66 LYS CA C 64 58.496 59.179 -0.683 1 1 788 . 2 1 1 A 66 66 LYS CB C 64 32.400 31.982 0.418 1 1 792 . 2 1 1 A 66 66 LYS N N 64 117.166 117.946 -0.780 1 1 793 . 2 1 1 A 67 67 CYS H H 65 7.918 8.249 -0.331 1 1 794 . 2 1 1 A 67 67 CYS HA H 65 4.526 4.284 0.242 1 1 797 . 2 1 1 A 67 67 CYS C C 65 174.893 177.167 -2.274 1 1 798 . 2 1 1 A 67 67 CYS CA C 65 56.329 61.452 -5.123 1 1 799 . 2 1 1 A 67 67 CYS CB C 65 45.235 26.645 18.590 1 1 800 . 2 1 1 A 67 67 CYS N N 65 115.330 118.208 -2.878 1 1 801 . 2 1 1 A 68 68 LEU H H 66 7.559 7.878 -0.319 1 1 802 . 2 1 1 A 68 68 LEU HA H 66 4.490 4.038 0.452 1 1 812 . 2 1 1 A 68 68 LEU C C 66 176.812 178.580 -1.768 1 1 813 . 2 1 1 A 68 68 LEU CA C 66 55.366 58.246 -2.880 1 1 814 . 2 1 1 A 68 68 LEU CB C 66 43.278 41.796 1.482 1 1 818 . 2 1 1 A 68 68 LEU N N 66 120.930 123.062 -2.132 1 1 819 . 2 1 1 A 69 69 ASN H H 67 8.265 7.864 0.401 1 1 820 . 2 1 1 A 69 69 ASN HA H 67 4.669 4.694 -0.025 1 1 825 . 2 1 1 A 69 69 ASN CA C 67 53.761 54.264 -0.503 1 1 826 . 2 1 1 A 69 69 ASN CB C 67 39.069 38.741 0.328 1 1 827 . 2 1 1 A 69 69 ASN N N 67 120.279 116.555 3.724 1 1 852 . 2 2 2 B 4 4 GLU H H 102 8.329 8.547 -0.218 1 1 853 . 2 2 2 B 4 4 GLU HA H 102 4.282 4.279 0.003 1 1 858 . 2 2 2 B 4 4 GLU C C 102 177.132 176.332 0.800 1 1 859 . 2 2 2 B 4 4 GLU CA C 102 57.410 57.093 0.317 1 1 861 . 2 2 2 B 4 4 GLU N N 102 121.884 128.022 -6.138 1 1 862 . 2 2 2 B 5 5 GLY H H 103 8.335 8.713 -0.378 1 1 863 . 2 2 2 B 5 5 GLY HA2 H 103 3.941 3.941 0.000 1 1 864 . 2 2 2 B 5 5 GLY HA3 H 103 3.941 3.942 -0.001 1 1 865 . 2 2 2 B 5 5 GLY C C 103 174.207 174.883 -0.676 1 1 866 . 2 2 2 B 5 5 GLY CA C 103 45.731 46.924 -1.193 1 1 867 . 2 2 2 B 5 5 GLY N N 103 110.055 112.602 -2.547 1 1 868 . 2 2 2 B 6 6 ILE H H 104 7.831 8.017 -0.186 1 1 869 . 2 2 2 B 6 6 ILE HA H 104 4.269 3.690 0.579 1 1 879 . 2 2 2 B 6 6 ILE C C 104 176.401 176.365 0.036 1 1 880 . 2 2 2 B 6 6 ILE CA C 104 61.558 64.567 -3.009 1 1 881 . 2 2 2 B 6 6 ILE CB C 104 39.436 37.934 1.502 1 1 885 . 2 2 2 B 6 6 ILE N N 104 119.606 124.679 -5.073 1 1 886 . 2 2 2 B 7 7 SER H H 105 8.324 7.968 0.356 1 1 887 . 2 2 2 B 7 7 SER HA H 105 4.535 4.988 -0.453 1 1 890 . 2 2 2 B 7 7 SER C C 105 174.550 173.132 1.418 1 1 891 . 2 2 2 B 7 7 SER CA C 105 58.667 57.735 0.932 1 1 892 . 2 2 2 B 7 7 SER CB C 105 64.072 65.111 -1.039 1 1 893 . 2 2 2 B 7 7 SER N N 105 119.717 116.750 2.967 1 1 937 . 2 2 2 B 11 11 SER H H 109 8.211 8.939 -0.728 1 1 938 . 2 2 2 B 11 11 SER HA H 109 4.507 4.639 -0.132 1 1 941 . 2 2 2 B 11 11 SER C C 109 174.504 173.910 0.594 1 1 942 . 2 2 2 B 11 11 SER CA C 109 58.919 59.271 -0.352 1 1 943 . 2 2 2 B 11 11 SER CB C 109 64.198 64.834 -0.636 1 1 944 . 2 2 2 B 11 11 SER N N 109 117.260 121.677 -4.417 1 1 945 . 2 2 2 B 12 12 ASP H H 110 8.323 7.959 0.364 1 1 946 . 2 2 2 B 12 12 ASP HA H 110 4.620 5.153 -0.533 1 1 949 . 2 2 2 B 12 12 ASP C C 110 176.058 174.321 1.737 1 1 950 . 2 2 2 B 12 12 ASP CA C 110 55.022 53.239 1.783 1 1 951 . 2 2 2 B 12 12 ASP CB C 110 41.825 43.624 -1.799 1 1 952 . 2 2 2 B 12 12 ASP N N 110 122.020 116.583 5.437 1 1 986 . 2 2 2 B 16 16 GLU H H 114 8.378 7.788 0.590 1 1 987 . 2 2 2 B 16 16 GLU HA H 114 4.268 4.487 -0.219 1 1 992 . 2 2 2 B 16 16 GLU C C 114 176.766 174.995 1.771 1 1 993 . 2 2 2 B 16 16 GLU CA C 114 57.410 55.447 1.963 1 1 994 . 2 2 2 B 16 16 GLU CB C 114 30.620 28.460 2.160 1 1 996 . 2 2 2 B 16 16 GLU N N 114 123.052 121.090 1.962 1 1 997 . 2 2 2 B 17 17 GLU H H 115 8.326 8.249 0.077 1 1 998 . 2 2 2 B 17 17 GLU HA H 115 4.274 5.003 -0.729 1 1 1003 . 2 2 2 B 17 17 GLU C C 115 176.880 175.183 1.697 1 1 1004 . 2 2 2 B 17 17 GLU CA C 115 57.410 55.508 1.902 1 1 1005 . 2 2 2 B 17 17 GLU CB C 115 30.525 31.473 -0.948 1 1 1007 . 2 2 2 B 17 17 GLU N N 115 121.688 123.512 -1.824 1 1 1008 . 2 2 2 B 18 18 MET H H 116 8.309 8.899 -0.590 1 1 1009 . 2 2 2 B 18 18 MET HA H 116 4.473 5.035 -0.562 1 1 1014 . 2 2 2 B 18 18 MET C C 116 177.086 175.132 1.954 1 1 1015 . 2 2 2 B 18 18 MET CA C 116 56.279 54.680 1.599 1 1 1016 . 2 2 2 B 18 18 MET CB C 116 33.026 36.737 -3.711 1 1 1017 . 2 2 2 B 18 18 MET N N 116 121.270 120.307 0.963 1 1 1018 . 2 2 2 B 19 19 GLY H H 117 8.335 8.772 -0.437 1 1 1019 . 2 2 2 B 19 19 GLY HA2 H 117 4.054 4.246 -0.192 1 1 1020 . 2 2 2 B 19 19 GLY HA3 H 117 4.054 4.246 -0.192 1 1 1021 . 2 2 2 B 19 19 GLY C C 117 174.481 174.941 -0.460 1 1 1022 . 2 2 2 B 19 19 GLY CA C 117 45.847 46.268 -0.421 1 1 1023 . 2 2 2 B 19 19 GLY N N 117 110.055 113.397 -3.342 1 1 1024 . 2 2 2 B 20 20 SER H H 118 8.230 8.575 -0.345 1 1 1025 . 2 2 2 B 20 20 SER HA H 118 4.476 4.189 0.287 1 1 1028 . 2 2 2 B 20 20 SER C C 118 175.327 175.272 0.055 1 1 1029 . 2 2 2 B 20 20 SER CA C 118 58.919 61.730 -2.811 1 1 1030 . 2 2 2 B 20 20 SER CB C 118 64.575 63.467 1.108 1 1 1031 . 2 2 2 B 20 20 SER N N 118 115.664 119.717 -4.053 1 1 1032 . 2 2 2 B 21 21 GLY H H 119 8.354 8.147 0.207 1 1 1033 . 2 2 2 B 21 21 GLY HA2 H 119 3.941 3.969 -0.028 1 1 1034 . 2 2 2 B 21 21 GLY HA3 H 119 3.941 3.969 -0.028 1 1 1035 . 2 2 2 B 21 21 GLY C C 119 174.002 173.474 0.528 1 1 1036 . 2 2 2 B 21 21 GLY CA C 119 45.721 46.606 -0.885 1 1 1037 . 2 2 2 B 21 21 GLY N N 119 110.872 106.914 3.958 1 1 1068 . 2 2 2 B 25 25 SER H H 123 8.155 8.236 -0.081 1 1 1069 . 2 2 2 B 25 25 SER HA H 123 4.391 4.058 0.333 1 1 1072 . 2 2 2 B 25 25 SER C C 123 175.075 173.065 2.010 1 1 1073 . 2 2 2 B 25 25 SER CA C 123 59.347 59.557 -0.210 1 1 1074 . 2 2 2 B 25 25 SER CB C 123 63.879 62.471 1.408 1 1 1075 . 2 2 2 B 25 25 SER N N 123 116.126 113.810 2.316 1 1 1076 . 2 2 2 B 26 26 MET H H 124 8.221 7.492 0.729 1 1 1077 . 2 2 2 B 26 26 MET HA H 124 4.476 5.041 -0.565 1 1 1082 . 2 2 2 B 26 26 MET C C 124 176.355 174.873 1.482 1 1 1083 . 2 2 2 B 26 26 MET CA C 124 56.279 54.693 1.586 1 1 1084 . 2 2 2 B 26 26 MET CB C 124 32.900 35.005 -2.105 1 1 1086 . 2 2 2 B 26 26 MET N N 124 121.210 119.179 2.031 1 1 1087 . 2 2 2 B 27 27 LYS H H 125 8.025 8.842 -0.817 1 1 1088 . 2 2 2 B 27 27 LYS HA H 125 4.312 4.959 -0.647 1 1 1097 . 2 2 2 B 27 27 LYS C C 125 176.355 175.036 1.319 1 1 1098 . 2 2 2 B 27 27 LYS CA C 125 56.656 54.481 2.175 1 1 1099 . 2 2 2 B 27 27 LYS CB C 125 33.529 36.982 -3.453 1 1 1103 . 2 2 2 B 27 27 LYS N N 125 121.457 123.574 -2.117 1 1 1104 . 2 2 2 B 28 28 GLU H H 126 8.222 8.992 -0.770 1 1 1105 . 2 2 2 B 28 28 GLU N N 126 122.740 118.502 4.238 1 1 1106 . 2 2 2 B 29 29 PRO HA H 127 4.355 4.621 -0.266 1 1 1113 . 2 2 2 B 29 29 PRO C C 127 176.812 176.770 0.042 1 1 1114 . 2 2 2 B 29 29 PRO CA C 127 63.821 62.804 1.017 1 1 1115 . 2 2 2 B 29 29 PRO CB C 127 32.272 32.573 -0.301 1 1 1118 . 2 2 2 B 30 30 ALA H H 128 8.267 8.557 -0.290 1 1 1119 . 2 2 2 B 30 30 ALA HA H 128 4.269 4.551 -0.282 1 1 1123 . 2 2 2 B 30 30 ALA C C 128 177.589 178.446 -0.857 1 1 1124 . 2 2 2 B 30 30 ALA CA C 128 52.873 52.299 0.574 1 1 1125 . 2 2 2 B 30 30 ALA CB C 128 19.703 20.219 -0.516 1 1 1126 . 2 2 2 B 30 30 ALA N N 128 123.577 126.015 -2.438 1 1 1127 . 2 2 2 B 31 31 PHE H H 129 8.019 8.300 -0.281 1 1 1128 . 2 2 2 B 31 31 PHE HA H 129 4.621 4.443 0.178 1 1 1136 . 2 2 2 B 31 31 PHE C C 129 175.624 174.310 1.314 1 1 1137 . 2 2 2 B 31 31 PHE CA C 129 58.039 60.179 -2.140 1 1 1138 . 2 2 2 B 31 31 PHE CB C 129 40.055 38.687 1.368 1 1 1142 . 2 2 2 B 31 31 PHE N N 129 118.994 116.805 2.189 1 1 1143 . 2 2 2 B 32 32 ARG H H 130 8.029 8.195 -0.166 1 1 1144 . 2 2 2 B 32 32 ARG HA H 130 4.309 4.514 -0.205 1 1 1151 . 2 2 2 B 32 32 ARG C C 130 175.875 174.863 1.012 1 1 1152 . 2 2 2 B 32 32 ARG CA C 130 56.154 54.367 1.787 1 1 1153 . 2 2 2 B 32 32 ARG CB C 130 31.643 31.593 0.050 1 1 1156 . 2 2 2 B 32 32 ARG N N 130 122.929 118.039 4.890 1 1 1157 . 2 2 2 B 33 33 GLU H H 131 8.374 8.916 -0.542 1 1 1158 . 2 2 2 B 33 33 GLU HA H 131 4.276 4.941 -0.665 1 1 1163 . 2 2 2 B 33 33 GLU C C 131 176.766 174.983 1.783 1 1 1164 . 2 2 2 B 33 33 GLU CA C 131 57.285 54.812 2.473 1 1 1165 . 2 2 2 B 33 33 GLU CB C 131 30.512 34.446 -3.934 1 1 1167 . 2 2 2 B 33 33 GLU N N 131 122.719 123.046 -0.327 1 1 1168 . 2 2 2 B 34 34 GLU H H 132 8.509 8.879 -0.370 1 1 1169 . 2 2 2 B 34 34 GLU HA H 132 4.271 4.834 -0.563 1 1 1174 . 2 2 2 B 34 34 GLU C C 132 176.560 174.976 1.584 1 1 1175 . 2 2 2 B 34 34 GLU CA C 132 57.400 55.453 1.947 1 1 1176 . 2 2 2 B 34 34 GLU CB C 132 30.530 30.674 -0.144 1 1 1178 . 2 2 2 B 34 34 GLU N N 132 122.122 124.241 -2.119 1 1 1179 . 2 2 2 B 35 35 ASN H H 133 8.362 8.513 -0.151 1 1 1180 . 2 2 2 B 35 35 ASN HA H 133 4.693 5.355 -0.662 1 1 1183 . 2 2 2 B 35 35 ASN C C 133 175.258 175.105 0.153 1 1 1184 . 2 2 2 B 35 35 ASN CA C 133 53.765 52.346 1.419 1 1 1185 . 2 2 2 B 35 35 ASN CB C 133 39.562 40.002 -0.440 1 1 1186 . 2 2 2 B 35 35 ASN N N 133 119.552 124.158 -4.606 1 1 1187 . 2 2 2 B 36 36 ALA H H 134 8.155 8.651 -0.496 1 1 1188 . 2 2 2 B 36 36 ALA HA H 134 4.265 4.397 -0.132 1 1 1192 . 2 2 2 B 36 36 ALA C C 134 177.520 176.756 0.764 1 1 1193 . 2 2 2 B 36 36 ALA CA C 134 52.873 52.314 0.559 1 1 1194 . 2 2 2 B 36 36 ALA CB C 134 19.703 19.101 0.602 1 1 1195 . 2 2 2 B 36 36 ALA N N 134 124.376 127.443 -3.067 1 1 1196 . 2 2 2 B 37 37 ASN H H 135 8.210 7.815 0.395 1 1 1197 . 2 2 2 B 37 37 ASN HA H 135 4.688 4.946 -0.258 1 1 1200 . 2 2 2 B 37 37 ASN C C 135 175.144 173.920 1.224 1 1 1201 . 2 2 2 B 37 37 ASN CA C 135 53.640 52.124 1.516 1 1 1202 . 2 2 2 B 37 37 ASN CB C 135 39.311 41.870 -2.559 1 1 1203 . 2 2 2 B 37 37 ASN N N 135 117.103 116.448 0.655 1 1 1204 . 2 2 2 B 38 38 PHE H H 136 7.997 8.321 -0.324 1 1 1205 . 2 2 2 B 38 38 PHE HA H 136 4.623 4.096 0.527 1 1 1212 . 2 2 2 B 38 38 PHE C C 136 175.601 175.710 -0.109 1 1 1213 . 2 2 2 B 38 38 PHE CA C 136 58.165 58.558 -0.393 1 1 1214 . 2 2 2 B 38 38 PHE CB C 136 39.939 36.469 3.470 1 1 1217 . 2 2 2 B 38 38 PHE N N 136 120.229 118.325 1.904 1 1 1218 . 2 2 2 B 39 39 ASN H H 137 8.272 8.228 0.044 1 1 1219 . 2 2 2 B 39 39 ASN HA H 137 4.702 4.776 -0.074 1 1 1222 . 2 2 2 B 39 39 ASN C C 137 174.047 176.050 -2.003 1 1 1223 . 2 2 2 B 39 39 ASN CA C 137 53.891 52.064 1.827 1 1 1224 . 2 2 2 B 39 39 ASN CB C 137 39.688 38.200 1.488 1 1 1225 . 2 2 2 B 39 39 ASN N N 137 120.594 116.341 4.253 1 1 3 . 3 1 1 A 4 4 PRO HA H 2 4.510 4.678 -0.168 1 1 10 . 3 1 1 A 4 4 PRO C C 2 177.132 175.415 1.717 1 1 11 . 3 1 1 A 4 4 PRO CA C 2 63.529 62.918 0.611 1 1 12 . 3 1 1 A 4 4 PRO CB C 2 32.476 31.676 0.800 1 1 15 . 3 1 1 A 5 5 VAL H H 3 8.201 8.436 -0.235 1 1 16 . 3 1 1 A 5 5 VAL HA H 3 4.140 4.679 -0.539 1 1 24 . 3 1 1 A 5 5 VAL C C 3 176.423 173.352 3.071 1 1 25 . 3 1 1 A 5 5 VAL CA C 3 62.873 60.076 2.797 1 1 26 . 3 1 1 A 5 5 VAL CB C 3 33.455 34.810 -1.355 1 1 28 . 3 1 1 A 5 5 VAL N N 3 120.488 123.702 -3.214 1 1 29 . 3 1 1 A 6 6 SER H H 4 8.276 8.723 -0.447 1 1 30 . 3 1 1 A 6 6 SER HA H 4 4.487 4.922 -0.435 1 1 33 . 3 1 1 A 6 6 SER C C 4 174.687 174.042 0.645 1 1 34 . 3 1 1 A 6 6 SER CA C 4 58.375 57.352 1.023 1 1 35 . 3 1 1 A 6 6 SER CB C 4 64.295 67.104 -2.809 1 1 36 . 3 1 1 A 6 6 SER N N 4 119.000 123.199 -4.199 1 1 37 . 3 1 1 A 7 7 LEU H H 5 8.238 8.372 -0.134 1 1 38 . 3 1 1 A 7 7 LEU HA H 5 4.397 4.509 -0.112 1 1 44 . 3 1 1 A 7 7 LEU C C 5 177.406 176.544 0.862 1 1 45 . 3 1 1 A 7 7 LEU CA C 5 55.766 53.971 1.795 1 1 46 . 3 1 1 A 7 7 LEU CB C 5 43.132 43.583 -0.451 1 1 48 . 3 1 1 A 7 7 LEU N N 5 124.704 121.852 2.852 1 1 49 . 3 1 1 A 8 8 SER H H 6 8.148 8.602 -0.454 1 1 50 . 3 1 1 A 8 8 SER HA H 6 4.438 5.108 -0.670 1 1 53 . 3 1 1 A 8 8 SER C C 6 174.321 173.879 0.442 1 1 54 . 3 1 1 A 8 8 SER CA C 6 58.718 56.194 2.524 1 1 55 . 3 1 1 A 8 8 SER CB C 6 64.295 66.337 -2.042 1 1 56 . 3 1 1 A 8 8 SER N N 6 115.960 112.996 2.964 1 1 57 . 3 1 1 A 9 9 TYR H H 7 7.915 8.255 -0.340 1 1 58 . 3 1 1 A 9 9 TYR HA H 7 4.585 4.765 -0.180 1 1 65 . 3 1 1 A 9 9 TYR C C 7 175.532 175.059 0.473 1 1 66 . 3 1 1 A 9 9 TYR CA C 7 58.335 57.746 0.589 1 1 67 . 3 1 1 A 9 9 TYR CB C 7 39.474 39.071 0.403 1 1 70 . 3 1 1 A 9 9 TYR N N 7 121.884 118.942 2.942 1 1 71 . 3 1 1 A 10 10 ARG H H 8 8.117 7.418 0.699 1 1 72 . 3 1 1 A 10 10 ARG HA H 8 4.337 4.763 -0.426 1 1 79 . 3 1 1 A 10 10 ARG C C 8 175.898 175.132 0.766 1 1 80 . 3 1 1 A 10 10 ARG CA C 8 56.048 54.318 1.730 1 1 81 . 3 1 1 A 10 10 ARG CB C 8 31.492 31.850 -0.358 1 1 84 . 3 1 1 A 10 10 ARG N N 8 121.977 121.302 0.675 1 1 85 . 3 1 1 A 11 11 CYS H H 9 8.127 8.711 -0.584 1 1 86 . 3 1 1 A 11 11 CYS HA H 9 4.984 4.882 0.102 1 1 89 . 3 1 1 A 11 11 CYS C C 9 177.771 173.959 3.812 1 1 90 . 3 1 1 A 11 11 CYS CA C 9 53.192 54.827 -1.635 1 1 91 . 3 1 1 A 11 11 CYS CB C 9 40.897 42.698 -1.801 1 1 92 . 3 1 1 A 11 11 CYS N N 9 121.209 123.993 -2.784 1 1 93 . 3 1 1 A 12 12 PRO HA H 10 4.321 4.154 0.167 1 1 100 . 3 1 1 A 12 12 PRO CA C 10 65.478 65.490 -0.012 1 1 101 . 3 1 1 A 12 12 PRO CB C 10 32.904 31.372 1.532 1 1 104 . 3 1 1 A 13 13 CYS H H 11 8.633 7.643 0.990 1 1 105 . 3 1 1 A 13 13 CYS C C 11 174.618 173.263 1.355 1 1 106 . 3 1 1 A 13 13 CYS N N 11 114.595 115.742 -1.147 1 1 107 . 3 1 1 A 14 14 ARG H H 12 8.236 8.787 -0.551 1 1 108 . 3 1 1 A 14 14 ARG HA H 12 4.067 4.146 -0.079 1 1 115 . 3 1 1 A 14 14 ARG C C 12 175.098 176.040 -0.942 1 1 116 . 3 1 1 A 14 14 ARG CA C 12 57.370 57.591 -0.221 1 1 117 . 3 1 1 A 14 14 ARG CB C 12 31.631 31.002 0.629 1 1 120 . 3 1 1 A 14 14 ARG N N 12 122.779 123.032 -0.253 1 1 121 . 3 1 1 A 15 15 PHE H H 13 7.571 7.661 -0.090 1 1 122 . 3 1 1 A 15 15 PHE HA H 13 4.510 4.936 -0.426 1 1 129 . 3 1 1 A 15 15 PHE C C 13 174.162 174.299 -0.137 1 1 130 . 3 1 1 A 15 15 PHE CA C 13 56.289 56.142 0.147 1 1 131 . 3 1 1 A 15 15 PHE CB C 13 41.320 42.507 -1.187 1 1 134 . 3 1 1 A 15 15 PHE N N 13 116.797 114.335 2.462 1 1 135 . 3 1 1 A 16 16 PHE H H 14 8.084 9.122 -1.038 1 1 136 . 3 1 1 A 16 16 PHE HA H 14 4.767 5.033 -0.266 1 1 143 . 3 1 1 A 16 16 PHE C C 14 175.441 175.881 -0.440 1 1 144 . 3 1 1 A 16 16 PHE CA C 14 55.767 56.794 -1.027 1 1 145 . 3 1 1 A 16 16 PHE CB C 14 41.320 41.002 0.318 1 1 148 . 3 1 1 A 16 16 PHE N N 14 118.930 119.119 -0.189 1 1 149 . 3 1 1 A 17 17 GLU H H 15 8.815 9.775 -0.960 1 1 150 . 3 1 1 A 17 17 GLU HA H 15 4.579 4.651 -0.072 1 1 155 . 3 1 1 A 17 17 GLU C C 15 176.857 176.555 0.302 1 1 156 . 3 1 1 A 17 17 GLU CA C 15 56.289 56.791 -0.502 1 1 157 . 3 1 1 A 17 17 GLU CB C 15 31.173 30.165 1.008 1 1 159 . 3 1 1 A 17 17 GLU N N 15 122.929 123.174 -0.245 1 1 160 . 3 1 1 A 18 18 SER H H 16 8.751 8.782 -0.031 1 1 161 . 3 1 1 A 18 18 SER HA H 16 4.762 4.662 0.100 1 1 164 . 3 1 1 A 18 18 SER C C 16 177.497 173.929 3.568 1 1 165 . 3 1 1 A 18 18 SER CA C 16 59.328 58.743 0.585 1 1 166 . 3 1 1 A 18 18 SER CB C 16 64.515 64.082 0.433 1 1 167 . 3 1 1 A 18 18 SER N N 16 118.860 119.857 -0.997 1 1 168 . 3 1 1 A 19 19 HIS H H 17 8.761 7.651 1.110 1 1 169 . 3 1 1 A 19 19 HIS HA H 17 4.832 5.071 -0.239 1 1 174 . 3 1 1 A 19 19 HIS C C 17 174.618 174.270 0.348 1 1 175 . 3 1 1 A 19 19 HIS CA C 17 56.449 54.347 2.102 1 1 176 . 3 1 1 A 19 19 HIS CB C 17 30.214 30.133 0.081 1 1 179 . 3 1 1 A 19 19 HIS N N 17 120.535 118.526 2.009 1 1 180 . 3 1 1 A 20 20 VAL H H 18 7.085 9.000 -1.915 1 1 181 . 3 1 1 A 20 20 VAL HA H 18 4.160 4.726 -0.566 1 1 189 . 3 1 1 A 20 20 VAL C C 18 174.436 174.129 0.307 1 1 190 . 3 1 1 A 20 20 VAL CA C 18 62.167 60.342 1.825 1 1 191 . 3 1 1 A 20 20 VAL CB C 18 34.426 36.045 -1.619 1 1 193 . 3 1 1 A 20 20 VAL N N 18 120.872 124.111 -3.239 1 1 194 . 3 1 1 A 21 21 ALA H H 19 8.521 8.404 0.117 1 1 195 . 3 1 1 A 21 21 ALA HA H 19 4.367 4.509 -0.142 1 1 199 . 3 1 1 A 21 21 ALA C C 19 177.657 178.200 -0.543 1 1 200 . 3 1 1 A 21 21 ALA CA C 19 51.193 50.427 0.766 1 1 201 . 3 1 1 A 21 21 ALA CB C 19 19.790 20.079 -0.289 1 1 202 . 3 1 1 A 21 21 ALA N N 19 131.339 128.029 3.310 1 1 203 . 3 1 1 A 22 22 ARG H H 20 7.790 7.787 0.003 1 1 204 . 3 1 1 A 22 22 ARG HA H 20 2.451 3.304 -0.853 1 1 211 . 3 1 1 A 22 22 ARG C C 20 178.365 177.253 1.112 1 1 212 . 3 1 1 A 22 22 ARG CA C 20 59.379 57.703 1.676 1 1 213 . 3 1 1 A 22 22 ARG CB C 20 29.572 29.162 0.410 1 1 216 . 3 1 1 A 22 22 ARG N N 20 124.365 122.614 1.751 1 1 217 . 3 1 1 A 23 23 ALA H H 21 8.120 7.314 0.806 1 1 218 . 3 1 1 A 23 23 ALA HA H 21 4.060 4.096 -0.036 1 1 222 . 3 1 1 A 23 23 ALA C C 21 178.000 177.828 0.172 1 1 223 . 3 1 1 A 23 23 ALA CA C 21 54.100 53.574 0.526 1 1 224 . 3 1 1 A 23 23 ALA CB C 21 18.713 18.339 0.374 1 1 225 . 3 1 1 A 23 23 ALA N N 21 117.156 121.979 -4.823 1 1 226 . 3 1 1 A 24 24 ASN H H 22 7.707 8.296 -0.589 1 1 227 . 3 1 1 A 24 24 ASN HA H 22 5.010 4.758 0.252 1 1 232 . 3 1 1 A 24 24 ASN C C 22 174.938 174.914 0.024 1 1 233 . 3 1 1 A 24 24 ASN CA C 22 52.869 52.486 0.383 1 1 234 . 3 1 1 A 24 24 ASN CB C 22 40.573 38.702 1.871 1 1 235 . 3 1 1 A 24 24 ASN N N 22 112.819 112.943 -0.124 1 1 237 . 3 1 1 A 25 25 VAL H H 23 7.489 7.297 0.192 1 1 238 . 3 1 1 A 25 25 VAL HA H 23 4.888 4.438 0.450 1 1 246 . 3 1 1 A 25 25 VAL C C 23 175.829 175.459 0.370 1 1 247 . 3 1 1 A 25 25 VAL CA C 23 59.870 59.485 0.385 1 1 248 . 3 1 1 A 25 25 VAL CB C 23 35.396 34.201 1.195 1 1 251 . 3 1 1 A 25 25 VAL N N 23 119.721 115.075 4.646 1 1 252 . 3 1 1 A 26 26 LYS H H 24 9.480 9.406 0.074 1 1 253 . 3 1 1 A 26 26 LYS HA H 24 4.353 4.344 0.009 1 1 262 . 3 1 1 A 26 26 LYS C C 24 176.606 176.446 0.160 1 1 263 . 3 1 1 A 26 26 LYS CA C 24 58.977 57.138 1.839 1 1 264 . 3 1 1 A 26 26 LYS CB C 24 34.567 33.128 1.439 1 1 268 . 3 1 1 A 26 26 LYS N N 24 127.843 121.916 5.927 1 1 269 . 3 1 1 A 27 27 HIS H H 25 7.237 7.518 -0.281 1 1 270 . 3 1 1 A 27 27 HIS HA H 25 4.979 4.878 0.101 1 1 275 . 3 1 1 A 27 27 HIS C C 25 178.434 172.507 5.927 1 1 276 . 3 1 1 A 27 27 HIS CA C 25 55.406 54.899 0.507 1 1 277 . 3 1 1 A 27 27 HIS CB C 25 32.480 31.248 1.232 1 1 280 . 3 1 1 A 27 27 HIS N N 25 109.556 114.917 -5.361 1 1 281 . 3 1 1 A 28 28 LEU H H 26 8.189 8.799 -0.610 1 1 282 . 3 1 1 A 28 28 LEU HA H 26 5.190 4.976 0.214 1 1 292 . 3 1 1 A 28 28 LEU C C 26 175.510 175.096 0.414 1 1 293 . 3 1 1 A 28 28 LEU CA C 26 53.480 53.248 0.232 1 1 294 . 3 1 1 A 28 28 LEU CB C 26 45.235 44.349 0.886 1 1 298 . 3 1 1 A 28 28 LEU N N 26 117.260 119.619 -2.359 1 1 299 . 3 1 1 A 29 29 LYS H H 27 9.572 9.620 -0.048 1 1 300 . 3 1 1 A 29 29 LYS HA H 27 5.372 5.144 0.228 1 1 309 . 3 1 1 A 29 29 LYS C C 27 174.801 174.974 -0.173 1 1 310 . 3 1 1 A 29 29 LYS CA C 27 55.165 54.799 0.366 1 1 311 . 3 1 1 A 29 29 LYS CB C 27 35.253 35.258 -0.005 1 1 315 . 3 1 1 A 29 29 LYS N N 27 123.488 126.098 -2.610 1 1 316 . 3 1 1 A 30 30 ILE H H 28 9.136 9.059 0.077 1 1 317 . 3 1 1 A 30 30 ILE HA H 28 4.924 5.174 -0.250 1 1 327 . 3 1 1 A 30 30 ILE C C 28 176.949 175.113 1.836 1 1 328 . 3 1 1 A 30 30 ILE CA C 28 60.542 59.268 1.274 1 1 329 . 3 1 1 A 30 30 ILE CB C 28 39.600 39.475 0.125 1 1 333 . 3 1 1 A 30 30 ILE N N 28 123.846 128.070 -4.224 1 1 334 . 3 1 1 A 31 31 LEU H H 29 8.805 9.093 -0.288 1 1 335 . 3 1 1 A 31 31 LEU HA H 29 4.535 5.181 -0.646 1 1 344 . 3 1 1 A 31 31 LEU C C 29 176.012 175.397 0.615 1 1 345 . 3 1 1 A 31 31 LEU CA C 29 55.366 53.864 1.502 1 1 346 . 3 1 1 A 31 31 LEU CB C 29 43.180 45.131 -1.951 1 1 349 . 3 1 1 A 31 31 LEU N N 29 128.649 127.151 1.498 1 1 350 . 3 1 1 A 32 32 ASN H H 30 8.216 8.789 -0.573 1 1 351 . 3 1 1 A 32 32 ASN HA H 30 5.005 5.023 -0.018 1 1 356 . 3 1 1 A 32 32 ASN C C 30 174.664 174.363 0.301 1 1 357 . 3 1 1 A 32 32 ASN CA C 30 52.517 52.009 0.508 1 1 358 . 3 1 1 A 32 32 ASN CB C 30 38.776 39.413 -0.637 1 1 359 . 3 1 1 A 32 32 ASN N N 30 120.791 121.574 -0.783 1 1 361 . 3 1 1 A 33 33 THR H H 31 7.883 8.564 -0.681 1 1 362 . 3 1 1 A 33 33 THR HA H 31 4.842 5.039 -0.197 1 1 367 . 3 1 1 A 33 33 THR CA C 31 58.369 58.450 -0.081 1 1 368 . 3 1 1 A 33 33 THR CB C 31 70.018 69.814 0.204 1 1 370 . 3 1 1 A 33 33 THR N N 31 115.811 117.291 -1.480 1 1 371 . 3 1 1 A 34 34 PRO HA H 32 4.317 4.650 -0.333 1 1 378 . 3 1 1 A 34 34 PRO CA C 32 65.164 62.674 2.490 1 1 379 . 3 1 1 A 34 34 PRO CB C 32 32.484 32.830 -0.346 1 1 382 . 3 1 1 A 35 35 ASN H H 33 8.259 9.024 -0.765 1 1 383 . 3 1 1 A 35 35 ASN HA H 33 4.651 4.559 0.092 1 1 388 . 3 1 1 A 35 35 ASN C C 33 174.710 173.771 0.939 1 1 389 . 3 1 1 A 35 35 ASN CA C 33 54.532 54.707 -0.175 1 1 390 . 3 1 1 A 35 35 ASN CB C 33 39.167 37.900 1.267 1 1 391 . 3 1 1 A 35 35 ASN N N 33 120.081 117.922 2.159 1 1 393 . 3 1 1 A 36 36 CYS H H 34 7.569 7.739 -0.170 1 1 394 . 3 1 1 A 36 36 CYS HA H 34 4.675 5.065 -0.390 1 1 397 . 3 1 1 A 36 36 CYS C C 34 173.865 172.822 1.043 1 1 398 . 3 1 1 A 36 36 CYS CA C 34 55.447 55.097 0.350 1 1 399 . 3 1 1 A 36 36 CYS CB C 34 45.228 46.147 -0.919 1 1 400 . 3 1 1 A 36 36 CYS N N 34 117.076 118.085 -1.009 1 1 401 . 3 1 1 A 37 37 ALA H H 35 8.472 8.729 -0.257 1 1 402 . 3 1 1 A 37 37 ALA HA H 35 4.223 4.461 -0.238 1 1 406 . 3 1 1 A 37 37 ALA C C 35 176.423 177.532 -1.109 1 1 407 . 3 1 1 A 37 37 ALA CA C 35 53.537 51.695 1.842 1 1 408 . 3 1 1 A 37 37 ALA CB C 35 19.202 18.059 1.143 1 1 409 . 3 1 1 A 37 37 ALA N N 35 125.153 125.857 -0.704 1 1 410 . 3 1 1 A 38 38 CYS H H 36 8.316 8.532 -0.216 1 1 411 . 3 1 1 A 38 38 CYS HA H 36 4.196 4.318 -0.122 1 1 414 . 3 1 1 A 38 38 CYS C C 36 173.705 173.110 0.595 1 1 415 . 3 1 1 A 38 38 CYS CA C 36 58.616 59.868 -1.252 1 1 416 . 3 1 1 A 38 38 CYS CB C 36 45.705 27.180 18.525 1 1 417 . 3 1 1 A 38 38 CYS N N 36 118.837 124.595 -5.758 1 1 418 . 3 1 1 A 39 39 GLN H H 37 8.928 8.423 0.505 1 1 419 . 3 1 1 A 39 39 GLN HA H 37 4.596 5.012 -0.416 1 1 426 . 3 1 1 A 39 39 GLN C C 37 173.636 173.709 -0.073 1 1 427 . 3 1 1 A 39 39 GLN CA C 37 54.603 55.986 -1.383 1 1 428 . 3 1 1 A 39 39 GLN CB C 37 31.761 31.312 0.449 1 1 430 . 3 1 1 A 39 39 GLN N N 37 128.567 121.570 6.997 1 1 432 . 3 1 1 A 40 40 ILE H H 38 8.851 9.190 -0.339 1 1 433 . 3 1 1 A 40 40 ILE HA H 38 5.087 4.798 0.289 1 1 443 . 3 1 1 A 40 40 ILE C C 38 174.390 174.976 -0.586 1 1 444 . 3 1 1 A 40 40 ILE CA C 38 60.582 59.936 0.646 1 1 445 . 3 1 1 A 40 40 ILE CB C 38 40.048 38.752 1.296 1 1 449 . 3 1 1 A 40 40 ILE N N 38 123.962 127.292 -3.330 1 1 450 . 3 1 1 A 41 41 VAL H H 39 9.090 9.454 -0.364 1 1 451 . 3 1 1 A 41 41 VAL HA H 39 4.822 4.881 -0.059 1 1 459 . 3 1 1 A 41 41 VAL C C 39 175.487 174.951 0.536 1 1 460 . 3 1 1 A 41 41 VAL CA C 39 59.980 61.181 -1.201 1 1 461 . 3 1 1 A 41 41 VAL CB C 39 35.868 33.739 2.129 1 1 464 . 3 1 1 A 41 41 VAL N N 39 126.354 129.162 -2.808 1 1 465 . 3 1 1 A 42 42 ALA H H 40 9.513 9.208 0.305 1 1 466 . 3 1 1 A 42 42 ALA HA H 40 5.137 5.188 -0.051 1 1 470 . 3 1 1 A 42 42 ALA C C 40 175.944 175.595 0.349 1 1 471 . 3 1 1 A 42 42 ALA CA C 40 50.591 50.321 0.270 1 1 472 . 3 1 1 A 42 42 ALA CB C 40 22.432 22.255 0.177 1 1 473 . 3 1 1 A 42 42 ALA N N 40 128.406 129.093 -0.687 1 1 474 . 3 1 1 A 43 43 ARG H H 41 7.720 8.391 -0.671 1 1 475 . 3 1 1 A 43 43 ARG HA H 41 4.959 4.651 0.308 1 1 482 . 3 1 1 A 43 43 ARG C C 41 175.510 175.947 -0.437 1 1 483 . 3 1 1 A 43 43 ARG CA C 41 54.162 55.547 -1.385 1 1 484 . 3 1 1 A 43 43 ARG CB C 41 31.200 31.500 -0.300 1 1 487 . 3 1 1 A 43 43 ARG N N 41 121.795 122.721 -0.926 1 1 488 . 3 1 1 A 44 44 LEU H H 42 9.164 8.731 0.433 1 1 489 . 3 1 1 A 44 44 LEU HA H 42 5.021 4.385 0.636 1 1 499 . 3 1 1 A 44 44 LEU C C 42 177.840 177.081 0.759 1 1 500 . 3 1 1 A 44 44 LEU CA C 42 54.724 54.969 -0.245 1 1 501 . 3 1 1 A 44 44 LEU CB C 42 41.712 42.237 -0.525 1 1 505 . 3 1 1 A 44 44 LEU N N 42 129.087 123.883 5.204 1 1 506 . 3 1 1 A 45 45 LYS H H 43 8.396 8.623 -0.227 1 1 507 . 3 1 1 A 45 45 LYS HA H 43 3.950 4.285 -0.335 1 1 516 . 3 1 1 A 45 45 LYS CA C 43 59.016 56.393 2.623 1 1 517 . 3 1 1 A 45 45 LYS CB C 43 34.102 31.505 2.597 1 1 520 . 3 1 1 A 45 45 LYS N N 43 119.674 120.610 -0.936 1 1 521 . 3 1 1 A 48 48 ASN HA H 46 4.709 4.940 -0.231 1 1 526 . 3 1 1 A 48 48 ASN C C 46 175.098 174.781 0.317 1 1 527 . 3 1 1 A 48 48 ASN CA C 46 54.764 54.904 -0.140 1 1 528 . 3 1 1 A 48 48 ASN CB C 46 39.265 41.201 -1.936 1 1 530 . 3 1 1 A 49 49 ARG H H 47 7.923 7.817 0.106 1 1 531 . 3 1 1 A 49 49 ARG HA H 47 4.368 4.688 -0.320 1 1 538 . 3 1 1 A 49 49 ARG C C 47 175.601 173.859 1.742 1 1 539 . 3 1 1 A 49 49 ARG CA C 47 57.051 54.929 2.122 1 1 540 . 3 1 1 A 49 49 ARG CB C 47 32.121 32.828 -0.707 1 1 543 . 3 1 1 A 49 49 ARG N N 47 119.826 114.348 5.478 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 5.441 5.073 0.368 1 1 552 . 3 1 1 A 50 50 GLN C C 48 175.578 175.514 0.064 1 1 553 . 3 1 1 A 50 50 GLN CA C 48 55.125 54.685 0.440 1 1 554 . 3 1 1 A 50 50 GLN CB C 48 32.121 30.550 1.571 1 1 556 . 3 1 1 A 50 50 GLN N N 48 120.767 119.507 1.260 1 1 558 . 3 1 1 A 51 51 VAL H H 49 8.630 9.055 -0.425 1 1 559 . 3 1 1 A 51 51 VAL HA H 49 4.826 4.837 -0.011 1 1 567 . 3 1 1 A 51 51 VAL C C 49 175.258 174.401 0.857 1 1 568 . 3 1 1 A 51 51 VAL CA C 49 59.338 59.673 -0.335 1 1 569 . 3 1 1 A 51 51 VAL CB C 49 36.155 34.246 1.909 1 1 572 . 3 1 1 A 51 51 VAL N N 49 116.678 117.313 -0.635 1 1 573 . 3 1 1 A 52 52 CYS H H 50 9.095 8.661 0.434 1 1 574 . 3 1 1 A 52 52 CYS HA H 50 5.278 5.357 -0.079 1 1 577 . 3 1 1 A 52 52 CYS C C 50 174.527 172.657 1.870 1 1 578 . 3 1 1 A 52 52 CYS CA C 50 58.054 54.528 3.526 1 1 579 . 3 1 1 A 52 52 CYS CB C 50 43.162 43.790 -0.628 1 1 580 . 3 1 1 A 52 52 CYS N N 50 124.549 119.715 4.834 1 1 581 . 3 1 1 A 53 53 ILE H H 51 8.485 9.673 -1.188 1 1 582 . 3 1 1 A 53 53 ILE HA H 51 4.973 4.648 0.325 1 1 592 . 3 1 1 A 53 53 ILE C C 51 173.019 175.390 -2.371 1 1 593 . 3 1 1 A 53 53 ILE CA C 51 58.897 60.283 -1.386 1 1 594 . 3 1 1 A 53 53 ILE CB C 51 42.201 40.130 2.071 1 1 598 . 3 1 1 A 53 53 ILE N N 51 122.581 125.577 -2.996 1 1 599 . 3 1 1 A 54 54 ASP H H 52 7.661 8.494 -0.833 1 1 600 . 3 1 1 A 54 54 ASP HA H 52 3.611 4.303 -0.692 1 1 603 . 3 1 1 A 54 54 ASP CA C 52 51.574 51.907 -0.333 1 1 604 . 3 1 1 A 54 54 ASP CB C 52 42.515 42.008 0.507 1 1 605 . 3 1 1 A 54 54 ASP N N 52 125.772 127.415 -1.643 1 1 606 . 3 1 1 A 55 55 PRO HA H 53 4.010 4.342 -0.332 1 1 613 . 3 1 1 A 55 55 PRO C C 53 176.126 176.033 0.093 1 1 614 . 3 1 1 A 55 55 PRO CA C 53 63.993 63.859 0.134 1 1 615 . 3 1 1 A 55 55 PRO CB C 53 33.002 31.713 1.289 1 1 618 . 3 1 1 A 56 56 LYS H H 54 7.930 7.792 0.138 1 1 619 . 3 1 1 A 56 56 LYS HA H 54 3.988 4.337 -0.349 1 1 628 . 3 1 1 A 56 56 LYS C C 54 177.931 176.037 1.894 1 1 629 . 3 1 1 A 56 56 LYS CA C 54 56.770 56.008 0.762 1 1 630 . 3 1 1 A 56 56 LYS CB C 54 32.023 33.158 -1.135 1 1 634 . 3 1 1 A 56 56 LYS N N 54 112.924 116.319 -3.395 1 1 635 . 3 1 1 A 57 57 LEU H H 55 7.161 7.047 0.114 1 1 636 . 3 1 1 A 57 57 LEU HA H 55 4.059 3.985 0.074 1 1 646 . 3 1 1 A 57 57 LEU C C 55 179.416 177.472 1.944 1 1 647 . 3 1 1 A 57 57 LEU CA C 55 56.088 55.400 0.688 1 1 648 . 3 1 1 A 57 57 LEU CB C 55 42.191 43.084 -0.893 1 1 652 . 3 1 1 A 57 57 LEU N N 55 120.593 123.303 -2.710 1 1 653 . 3 1 1 A 58 58 LYS H H 56 8.720 8.911 -0.191 1 1 654 . 3 1 1 A 58 58 LYS HA H 56 3.911 3.832 0.079 1 1 663 . 3 1 1 A 58 58 LYS C C 56 178.937 178.142 0.795 1 1 664 . 3 1 1 A 58 58 LYS CA C 56 60.301 59.810 0.491 1 1 665 . 3 1 1 A 58 58 LYS CB C 56 32.121 32.217 -0.096 1 1 669 . 3 1 1 A 58 58 LYS N N 56 125.479 125.936 -0.457 1 1 670 . 3 1 1 A 59 59 TRP H H 57 7.811 8.154 -0.343 1 1 671 . 3 1 1 A 59 59 TRP HA H 57 4.664 4.516 0.148 1 1 680 . 3 1 1 A 59 59 TRP C C 57 178.868 179.376 -0.508 1 1 681 . 3 1 1 A 59 59 TRP CA C 57 58.897 59.861 -0.964 1 1 682 . 3 1 1 A 59 59 TRP CB C 57 28.036 28.044 -0.008 1 1 688 . 3 1 1 A 59 59 TRP N N 57 113.433 119.008 -5.575 1 1 690 . 3 1 1 A 60 60 ILE H H 58 6.461 7.541 -1.080 1 1 691 . 3 1 1 A 60 60 ILE HA H 58 3.304 3.546 -0.242 1 1 701 . 3 1 1 A 60 60 ILE C C 58 177.726 177.460 0.266 1 1 702 . 3 1 1 A 60 60 ILE CA C 58 64.314 64.952 -0.638 1 1 703 . 3 1 1 A 60 60 ILE CB C 58 35.897 37.179 -1.282 1 1 707 . 3 1 1 A 60 60 ILE N N 58 124.379 122.515 1.864 1 1 708 . 3 1 1 A 61 61 GLN H H 59 7.624 8.289 -0.665 1 1 709 . 3 1 1 A 61 61 GLN HA H 59 3.748 3.946 -0.198 1 1 716 . 3 1 1 A 61 61 GLN C C 59 178.434 178.947 -0.513 1 1 717 . 3 1 1 A 61 61 GLN CA C 59 59.379 58.933 0.446 1 1 718 . 3 1 1 A 61 61 GLN CB C 59 28.272 28.210 0.062 1 1 720 . 3 1 1 A 61 61 GLN N N 59 119.070 118.519 0.551 1 1 722 . 3 1 1 A 62 62 GLU H H 60 8.064 7.921 0.143 1 1 723 . 3 1 1 A 62 62 GLU HA H 60 4.083 4.082 0.001 1 1 728 . 3 1 1 A 62 62 GLU C C 60 179.051 178.725 0.326 1 1 729 . 3 1 1 A 62 62 GLU CA C 60 59.659 58.896 0.763 1 1 730 . 3 1 1 A 62 62 GLU CB C 60 30.457 30.087 0.370 1 1 732 . 3 1 1 A 62 62 GLU N N 60 117.166 120.425 -3.259 1 1 733 . 3 1 1 A 63 63 TYR H H 61 7.924 8.891 -0.967 1 1 734 . 3 1 1 A 63 63 TYR HA H 61 4.254 4.241 0.013 1 1 741 . 3 1 1 A 63 63 TYR C C 61 178.617 177.390 1.227 1 1 742 . 3 1 1 A 63 63 TYR CA C 61 61.184 61.494 -0.310 1 1 743 . 3 1 1 A 63 63 TYR CB C 61 39.461 38.800 0.661 1 1 746 . 3 1 1 A 63 63 TYR N N 61 121.271 122.387 -1.116 1 1 747 . 3 1 1 A 64 64 LEU H H 62 8.260 8.924 -0.664 1 1 748 . 3 1 1 A 64 64 LEU HA H 62 3.954 4.010 -0.056 1 1 758 . 3 1 1 A 64 64 LEU C C 62 179.553 179.274 0.279 1 1 759 . 3 1 1 A 64 64 LEU CA C 62 58.014 58.204 -0.190 1 1 760 . 3 1 1 A 64 64 LEU CB C 62 42.191 41.347 0.844 1 1 764 . 3 1 1 A 64 64 LEU N N 62 116.299 120.184 -3.885 1 1 765 . 3 1 1 A 65 65 GLU H H 63 8.454 8.163 0.291 1 1 766 . 3 1 1 A 65 65 GLU HA H 63 3.840 3.922 -0.082 1 1 771 . 3 1 1 A 65 65 GLU C C 63 179.279 178.777 0.502 1 1 772 . 3 1 1 A 65 65 GLU CA C 63 60.301 59.829 0.472 1 1 773 . 3 1 1 A 65 65 GLU CB C 63 29.870 29.081 0.789 1 1 775 . 3 1 1 A 65 65 GLU N N 63 118.616 119.603 -0.987 1 1 776 . 3 1 1 A 66 66 LYS H H 64 7.575 8.425 -0.850 1 1 777 . 3 1 1 A 66 66 LYS HA H 64 4.212 4.058 0.154 1 1 786 . 3 1 1 A 66 66 LYS C C 64 178.457 178.162 0.295 1 1 787 . 3 1 1 A 66 66 LYS CA C 64 58.496 58.992 -0.496 1 1 788 . 3 1 1 A 66 66 LYS CB C 64 32.400 31.852 0.548 1 1 792 . 3 1 1 A 66 66 LYS N N 64 117.166 118.005 -0.839 1 1 793 . 3 1 1 A 67 67 CYS H H 65 7.918 7.966 -0.048 1 1 794 . 3 1 1 A 67 67 CYS HA H 65 4.526 4.270 0.256 1 1 797 . 3 1 1 A 67 67 CYS C C 65 174.893 177.372 -2.479 1 1 798 . 3 1 1 A 67 67 CYS CA C 65 56.329 62.201 -5.872 1 1 799 . 3 1 1 A 67 67 CYS CB C 65 45.235 26.853 18.382 1 1 800 . 3 1 1 A 67 67 CYS N N 65 115.330 117.474 -2.144 1 1 801 . 3 1 1 A 68 68 LEU H H 66 7.559 8.147 -0.588 1 1 802 . 3 1 1 A 68 68 LEU HA H 66 4.490 4.115 0.375 1 1 812 . 3 1 1 A 68 68 LEU C C 66 176.812 178.217 -1.405 1 1 813 . 3 1 1 A 68 68 LEU CA C 66 55.366 57.180 -1.814 1 1 814 . 3 1 1 A 68 68 LEU CB C 66 43.278 41.586 1.692 1 1 818 . 3 1 1 A 68 68 LEU N N 66 120.930 122.934 -2.004 1 1 819 . 3 1 1 A 69 69 ASN H H 67 8.265 7.814 0.451 1 1 820 . 3 1 1 A 69 69 ASN HA H 67 4.669 4.733 -0.064 1 1 825 . 3 1 1 A 69 69 ASN CA C 67 53.761 53.860 -0.099 1 1 826 . 3 1 1 A 69 69 ASN CB C 67 39.069 38.670 0.399 1 1 827 . 3 1 1 A 69 69 ASN N N 67 120.279 117.180 3.099 1 1 852 . 3 2 2 B 4 4 GLU H H 102 8.329 7.729 0.600 1 1 853 . 3 2 2 B 4 4 GLU HA H 102 4.282 4.509 -0.227 1 1 858 . 3 2 2 B 4 4 GLU C C 102 177.132 176.622 0.510 1 1 859 . 3 2 2 B 4 4 GLU CA C 102 57.410 56.442 0.968 1 1 861 . 3 2 2 B 4 4 GLU N N 102 121.884 119.211 2.673 1 1 862 . 3 2 2 B 5 5 GLY H H 103 8.335 8.815 -0.480 1 1 863 . 3 2 2 B 5 5 GLY HA2 H 103 3.941 3.914 0.027 1 1 864 . 3 2 2 B 5 5 GLY HA3 H 103 3.941 3.915 0.026 1 1 865 . 3 2 2 B 5 5 GLY C C 103 174.207 174.995 -0.788 1 1 866 . 3 2 2 B 5 5 GLY CA C 103 45.731 47.135 -1.404 1 1 867 . 3 2 2 B 5 5 GLY N N 103 110.055 112.911 -2.856 1 1 868 . 3 2 2 B 6 6 ILE H H 104 7.831 7.926 -0.095 1 1 869 . 3 2 2 B 6 6 ILE HA H 104 4.269 3.858 0.411 1 1 879 . 3 2 2 B 6 6 ILE C C 104 176.401 176.403 -0.002 1 1 880 . 3 2 2 B 6 6 ILE CA C 104 61.558 64.627 -3.069 1 1 881 . 3 2 2 B 6 6 ILE CB C 104 39.436 38.160 1.276 1 1 885 . 3 2 2 B 6 6 ILE N N 104 119.606 121.619 -2.013 1 1 886 . 3 2 2 B 7 7 SER H H 105 8.324 7.978 0.346 1 1 887 . 3 2 2 B 7 7 SER HA H 105 4.535 4.692 -0.157 1 1 890 . 3 2 2 B 7 7 SER C C 105 174.550 173.129 1.421 1 1 891 . 3 2 2 B 7 7 SER CA C 105 58.667 56.898 1.769 1 1 892 . 3 2 2 B 7 7 SER CB C 105 64.072 64.698 -0.626 1 1 893 . 3 2 2 B 7 7 SER N N 105 119.717 112.760 6.957 1 1 937 . 3 2 2 B 11 11 SER H H 109 8.211 8.697 -0.486 1 1 938 . 3 2 2 B 11 11 SER HA H 109 4.507 4.630 -0.123 1 1 941 . 3 2 2 B 11 11 SER C C 109 174.504 174.057 0.447 1 1 942 . 3 2 2 B 11 11 SER CA C 109 58.919 58.072 0.847 1 1 943 . 3 2 2 B 11 11 SER CB C 109 64.198 64.330 -0.132 1 1 944 . 3 2 2 B 11 11 SER N N 109 117.260 122.250 -4.990 1 1 945 . 3 2 2 B 12 12 ASP H H 110 8.323 8.508 -0.185 1 1 946 . 3 2 2 B 12 12 ASP HA H 110 4.620 4.692 -0.072 1 1 949 . 3 2 2 B 12 12 ASP C C 110 176.058 175.293 0.765 1 1 950 . 3 2 2 B 12 12 ASP CA C 110 55.022 53.679 1.343 1 1 951 . 3 2 2 B 12 12 ASP CB C 110 41.825 38.905 2.920 1 1 952 . 3 2 2 B 12 12 ASP N N 110 122.020 121.655 0.365 1 1 986 . 3 2 2 B 16 16 GLU H H 114 8.378 8.511 -0.133 1 1 987 . 3 2 2 B 16 16 GLU HA H 114 4.268 4.174 0.094 1 1 992 . 3 2 2 B 16 16 GLU C C 114 176.766 176.393 0.373 1 1 993 . 3 2 2 B 16 16 GLU CA C 114 57.410 57.257 0.153 1 1 994 . 3 2 2 B 16 16 GLU CB C 114 30.620 29.565 1.055 1 1 996 . 3 2 2 B 16 16 GLU N N 114 123.052 120.838 2.214 1 1 997 . 3 2 2 B 17 17 GLU H H 115 8.326 8.553 -0.227 1 1 998 . 3 2 2 B 17 17 GLU HA H 115 4.274 4.975 -0.701 1 1 1003 . 3 2 2 B 17 17 GLU C C 115 176.880 174.675 2.205 1 1 1004 . 3 2 2 B 17 17 GLU CA C 115 57.410 54.492 2.918 1 1 1005 . 3 2 2 B 17 17 GLU CB C 115 30.525 33.965 -3.440 1 1 1007 . 3 2 2 B 17 17 GLU N N 115 121.688 123.502 -1.814 1 1 1008 . 3 2 2 B 18 18 MET H H 116 8.309 8.823 -0.514 1 1 1009 . 3 2 2 B 18 18 MET HA H 116 4.473 5.022 -0.549 1 1 1014 . 3 2 2 B 18 18 MET C C 116 177.086 176.379 0.707 1 1 1015 . 3 2 2 B 18 18 MET CA C 116 56.279 54.176 2.103 1 1 1016 . 3 2 2 B 18 18 MET CB C 116 33.026 33.691 -0.665 1 1 1017 . 3 2 2 B 18 18 MET N N 116 121.270 122.199 -0.929 1 1 1018 . 3 2 2 B 19 19 GLY H H 117 8.335 8.636 -0.301 1 1 1019 . 3 2 2 B 19 19 GLY HA2 H 117 4.054 3.860 0.194 1 1 1020 . 3 2 2 B 19 19 GLY HA3 H 117 4.054 3.860 0.194 1 1 1021 . 3 2 2 B 19 19 GLY C C 117 174.481 174.894 -0.413 1 1 1022 . 3 2 2 B 19 19 GLY CA C 117 45.847 47.056 -1.209 1 1 1023 . 3 2 2 B 19 19 GLY N N 117 110.055 112.640 -2.585 1 1 1024 . 3 2 2 B 20 20 SER H H 118 8.230 7.886 0.344 1 1 1025 . 3 2 2 B 20 20 SER HA H 118 4.476 4.733 -0.257 1 1 1028 . 3 2 2 B 20 20 SER C C 118 175.327 174.965 0.362 1 1 1029 . 3 2 2 B 20 20 SER CA C 118 58.919 59.271 -0.352 1 1 1030 . 3 2 2 B 20 20 SER CB C 118 64.575 65.597 -1.022 1 1 1031 . 3 2 2 B 20 20 SER N N 118 115.664 113.194 2.470 1 1 1032 . 3 2 2 B 21 21 GLY H H 119 8.354 8.087 0.267 1 1 1033 . 3 2 2 B 21 21 GLY HA2 H 119 3.941 3.949 -0.008 1 1 1034 . 3 2 2 B 21 21 GLY HA3 H 119 3.941 3.950 -0.009 1 1 1035 . 3 2 2 B 21 21 GLY C C 119 174.002 173.474 0.528 1 1 1036 . 3 2 2 B 21 21 GLY CA C 119 45.721 46.635 -0.914 1 1 1037 . 3 2 2 B 21 21 GLY N N 119 110.872 108.820 2.052 1 1 1068 . 3 2 2 B 25 25 SER H H 123 8.155 8.241 -0.086 1 1 1069 . 3 2 2 B 25 25 SER HA H 123 4.391 4.084 0.307 1 1 1072 . 3 2 2 B 25 25 SER C C 123 175.075 172.862 2.213 1 1 1073 . 3 2 2 B 25 25 SER CA C 123 59.347 59.547 -0.200 1 1 1074 . 3 2 2 B 25 25 SER CB C 123 63.879 62.560 1.319 1 1 1075 . 3 2 2 B 25 25 SER N N 123 116.126 114.220 1.906 1 1 1076 . 3 2 2 B 26 26 MET H H 124 8.221 7.639 0.582 1 1 1077 . 3 2 2 B 26 26 MET HA H 124 4.476 5.081 -0.605 1 1 1082 . 3 2 2 B 26 26 MET C C 124 176.355 175.019 1.336 1 1 1083 . 3 2 2 B 26 26 MET CA C 124 56.279 54.666 1.613 1 1 1084 . 3 2 2 B 26 26 MET CB C 124 32.900 35.067 -2.167 1 1 1086 . 3 2 2 B 26 26 MET N N 124 121.210 119.419 1.791 1 1 1087 . 3 2 2 B 27 27 LYS H H 125 8.025 8.809 -0.784 1 1 1088 . 3 2 2 B 27 27 LYS HA H 125 4.312 4.979 -0.667 1 1 1097 . 3 2 2 B 27 27 LYS C C 125 176.355 175.073 1.282 1 1 1098 . 3 2 2 B 27 27 LYS CA C 125 56.656 54.425 2.231 1 1 1099 . 3 2 2 B 27 27 LYS CB C 125 33.529 36.974 -3.445 1 1 1103 . 3 2 2 B 27 27 LYS N N 125 121.457 122.889 -1.432 1 1 1104 . 3 2 2 B 28 28 GLU H H 126 8.222 9.043 -0.821 1 1 1105 . 3 2 2 B 28 28 GLU N N 126 122.740 118.245 4.495 1 1 1106 . 3 2 2 B 29 29 PRO HA H 127 4.355 4.740 -0.385 1 1 1113 . 3 2 2 B 29 29 PRO C C 127 176.812 175.678 1.134 1 1 1114 . 3 2 2 B 29 29 PRO CA C 127 63.821 63.141 0.680 1 1 1115 . 3 2 2 B 29 29 PRO CB C 127 32.272 33.144 -0.872 1 1 1118 . 3 2 2 B 30 30 ALA H H 128 8.267 8.426 -0.159 1 1 1119 . 3 2 2 B 30 30 ALA HA H 128 4.269 4.633 -0.364 1 1 1123 . 3 2 2 B 30 30 ALA C C 128 177.589 177.288 0.301 1 1 1124 . 3 2 2 B 30 30 ALA CA C 128 52.873 50.989 1.884 1 1 1125 . 3 2 2 B 30 30 ALA CB C 128 19.703 18.892 0.811 1 1 1126 . 3 2 2 B 30 30 ALA N N 128 123.577 123.874 -0.297 1 1 1127 . 3 2 2 B 31 31 PHE H H 129 8.019 8.629 -0.610 1 1 1128 . 3 2 2 B 31 31 PHE HA H 129 4.621 4.606 0.015 1 1 1136 . 3 2 2 B 31 31 PHE C C 129 175.624 175.877 -0.253 1 1 1137 . 3 2 2 B 31 31 PHE CA C 129 58.039 59.394 -1.355 1 1 1138 . 3 2 2 B 31 31 PHE CB C 129 40.055 40.646 -0.591 1 1 1142 . 3 2 2 B 31 31 PHE N N 129 118.994 120.333 -1.339 1 1 1143 . 3 2 2 B 32 32 ARG H H 130 8.029 7.895 0.134 1 1 1144 . 3 2 2 B 32 32 ARG HA H 130 4.309 4.648 -0.339 1 1 1151 . 3 2 2 B 32 32 ARG C C 130 175.875 175.337 0.538 1 1 1152 . 3 2 2 B 32 32 ARG CA C 130 56.154 54.570 1.584 1 1 1153 . 3 2 2 B 32 32 ARG CB C 130 31.643 31.833 -0.190 1 1 1156 . 3 2 2 B 32 32 ARG N N 130 122.929 117.644 5.285 1 1 1157 . 3 2 2 B 33 33 GLU H H 131 8.374 8.880 -0.506 1 1 1158 . 3 2 2 B 33 33 GLU HA H 131 4.276 4.257 0.019 1 1 1163 . 3 2 2 B 33 33 GLU C C 131 176.766 176.971 -0.205 1 1 1164 . 3 2 2 B 33 33 GLU CA C 131 57.285 57.075 0.210 1 1 1165 . 3 2 2 B 33 33 GLU CB C 131 30.512 29.965 0.547 1 1 1167 . 3 2 2 B 33 33 GLU N N 131 122.719 125.978 -3.259 1 1 1168 . 3 2 2 B 34 34 GLU H H 132 8.509 8.829 -0.320 1 1 1169 . 3 2 2 B 34 34 GLU HA H 132 4.271 4.328 -0.057 1 1 1174 . 3 2 2 B 34 34 GLU C C 132 176.560 176.495 0.065 1 1 1175 . 3 2 2 B 34 34 GLU CA C 132 57.400 57.880 -0.480 1 1 1176 . 3 2 2 B 34 34 GLU CB C 132 30.530 30.731 -0.201 1 1 1178 . 3 2 2 B 34 34 GLU N N 132 122.122 124.675 -2.553 1 1 1179 . 3 2 2 B 35 35 ASN H H 133 8.362 7.907 0.455 1 1 1180 . 3 2 2 B 35 35 ASN HA H 133 4.693 5.149 -0.456 1 1 1183 . 3 2 2 B 35 35 ASN C C 133 175.258 173.433 1.825 1 1 1184 . 3 2 2 B 35 35 ASN CA C 133 53.765 52.310 1.455 1 1 1185 . 3 2 2 B 35 35 ASN CB C 133 39.562 41.834 -2.272 1 1 1186 . 3 2 2 B 35 35 ASN N N 133 119.552 117.671 1.881 1 1 1187 . 3 2 2 B 36 36 ALA H H 134 8.155 8.682 -0.527 1 1 1188 . 3 2 2 B 36 36 ALA HA H 134 4.265 4.448 -0.183 1 1 1192 . 3 2 2 B 36 36 ALA C C 134 177.520 176.662 0.858 1 1 1193 . 3 2 2 B 36 36 ALA CA C 134 52.873 51.844 1.029 1 1 1194 . 3 2 2 B 36 36 ALA CB C 134 19.703 18.857 0.846 1 1 1195 . 3 2 2 B 36 36 ALA N N 134 124.376 127.370 -2.994 1 1 1196 . 3 2 2 B 37 37 ASN H H 135 8.210 8.795 -0.585 1 1 1197 . 3 2 2 B 37 37 ASN HA H 135 4.688 4.847 -0.159 1 1 1200 . 3 2 2 B 37 37 ASN C C 135 175.144 175.658 -0.514 1 1 1201 . 3 2 2 B 37 37 ASN CA C 135 53.640 53.309 0.331 1 1 1202 . 3 2 2 B 37 37 ASN CB C 135 39.311 37.468 1.843 1 1 1203 . 3 2 2 B 37 37 ASN N N 135 117.103 124.298 -7.195 1 1 1204 . 3 2 2 B 38 38 PHE H H 136 7.997 8.745 -0.748 1 1 1205 . 3 2 2 B 38 38 PHE HA H 136 4.623 4.367 0.256 1 1 1212 . 3 2 2 B 38 38 PHE C C 136 175.601 175.519 0.082 1 1 1213 . 3 2 2 B 38 38 PHE CA C 136 58.165 59.864 -1.699 1 1 1214 . 3 2 2 B 38 38 PHE CB C 136 39.939 40.566 -0.627 1 1 1217 . 3 2 2 B 38 38 PHE N N 136 120.229 126.219 -5.990 1 1 1218 . 3 2 2 B 39 39 ASN H H 137 8.272 7.872 0.400 1 1 1219 . 3 2 2 B 39 39 ASN HA H 137 4.702 5.075 -0.373 1 1 1222 . 3 2 2 B 39 39 ASN C C 137 174.047 173.508 0.539 1 1 1223 . 3 2 2 B 39 39 ASN CA C 137 53.891 52.209 1.682 1 1 1224 . 3 2 2 B 39 39 ASN CB C 137 39.688 41.267 -1.579 1 1 1225 . 3 2 2 B 39 39 ASN N N 137 120.594 113.167 7.427 1 1 3 . 4 1 1 A 4 4 PRO HA H 2 4.510 4.655 -0.145 1 1 10 . 4 1 1 A 4 4 PRO C C 2 177.132 176.426 0.706 1 1 11 . 4 1 1 A 4 4 PRO CA C 2 63.529 62.186 1.343 1 1 12 . 4 1 1 A 4 4 PRO CB C 2 32.476 32.956 -0.480 1 1 15 . 4 1 1 A 5 5 VAL H H 3 8.201 8.267 -0.066 1 1 16 . 4 1 1 A 5 5 VAL HA H 3 4.140 4.521 -0.381 1 1 24 . 4 1 1 A 5 5 VAL C C 3 176.423 175.486 0.937 1 1 25 . 4 1 1 A 5 5 VAL CA C 3 62.873 59.717 3.156 1 1 26 . 4 1 1 A 5 5 VAL CB C 3 33.455 34.757 -1.302 1 1 28 . 4 1 1 A 5 5 VAL N N 3 120.488 117.809 2.679 1 1 29 . 4 1 1 A 6 6 SER H H 4 8.276 8.706 -0.430 1 1 30 . 4 1 1 A 6 6 SER HA H 4 4.487 4.624 -0.137 1 1 33 . 4 1 1 A 6 6 SER C C 4 174.687 174.311 0.376 1 1 34 . 4 1 1 A 6 6 SER CA C 4 58.375 59.447 -1.072 1 1 35 . 4 1 1 A 6 6 SER CB C 4 64.295 64.766 -0.471 1 1 36 . 4 1 1 A 6 6 SER N N 4 119.000 115.934 3.066 1 1 37 . 4 1 1 A 7 7 LEU H H 5 8.238 8.032 0.206 1 1 38 . 4 1 1 A 7 7 LEU HA H 5 4.397 3.915 0.482 1 1 44 . 4 1 1 A 7 7 LEU C C 5 177.406 175.362 2.044 1 1 45 . 4 1 1 A 7 7 LEU CA C 5 55.766 55.672 0.094 1 1 46 . 4 1 1 A 7 7 LEU CB C 5 43.132 40.599 2.533 1 1 48 . 4 1 1 A 7 7 LEU N N 5 124.704 121.800 2.904 1 1 49 . 4 1 1 A 8 8 SER H H 6 8.148 7.619 0.529 1 1 50 . 4 1 1 A 8 8 SER HA H 6 4.438 4.857 -0.419 1 1 53 . 4 1 1 A 8 8 SER C C 6 174.321 172.663 1.658 1 1 54 . 4 1 1 A 8 8 SER CA C 6 58.718 57.148 1.570 1 1 55 . 4 1 1 A 8 8 SER CB C 6 64.295 66.036 -1.741 1 1 56 . 4 1 1 A 8 8 SER N N 6 115.960 114.967 0.993 1 1 57 . 4 1 1 A 9 9 TYR H H 7 7.915 8.862 -0.947 1 1 58 . 4 1 1 A 9 9 TYR HA H 7 4.585 4.823 -0.238 1 1 65 . 4 1 1 A 9 9 TYR C C 7 175.532 176.230 -0.698 1 1 66 . 4 1 1 A 9 9 TYR CA C 7 58.335 58.329 0.006 1 1 67 . 4 1 1 A 9 9 TYR CB C 7 39.474 38.229 1.245 1 1 70 . 4 1 1 A 9 9 TYR N N 7 121.884 122.396 -0.512 1 1 71 . 4 1 1 A 10 10 ARG H H 8 8.117 8.708 -0.591 1 1 72 . 4 1 1 A 10 10 ARG HA H 8 4.337 5.057 -0.720 1 1 79 . 4 1 1 A 10 10 ARG C C 8 175.898 174.300 1.598 1 1 80 . 4 1 1 A 10 10 ARG CA C 8 56.048 53.965 2.083 1 1 81 . 4 1 1 A 10 10 ARG CB C 8 31.492 34.223 -2.731 1 1 84 . 4 1 1 A 10 10 ARG N N 8 121.977 123.555 -1.578 1 1 85 . 4 1 1 A 11 11 CYS H H 9 8.127 8.639 -0.512 1 1 86 . 4 1 1 A 11 11 CYS HA H 9 4.984 5.062 -0.078 1 1 89 . 4 1 1 A 11 11 CYS C C 9 177.771 173.562 4.209 1 1 90 . 4 1 1 A 11 11 CYS CA C 9 53.192 52.827 0.365 1 1 91 . 4 1 1 A 11 11 CYS CB C 9 40.897 44.746 -3.849 1 1 92 . 4 1 1 A 11 11 CYS N N 9 121.209 121.229 -0.020 1 1 93 . 4 1 1 A 12 12 PRO HA H 10 4.321 4.411 -0.090 1 1 100 . 4 1 1 A 12 12 PRO CA C 10 65.478 64.739 0.739 1 1 101 . 4 1 1 A 12 12 PRO CB C 10 32.904 31.855 1.049 1 1 104 . 4 1 1 A 13 13 CYS H H 11 8.633 7.977 0.656 1 1 105 . 4 1 1 A 13 13 CYS C C 11 174.618 173.855 0.763 1 1 106 . 4 1 1 A 13 13 CYS N N 11 114.595 116.279 -1.684 1 1 107 . 4 1 1 A 14 14 ARG H H 12 8.236 8.974 -0.738 1 1 108 . 4 1 1 A 14 14 ARG HA H 12 4.067 4.147 -0.080 1 1 115 . 4 1 1 A 14 14 ARG C C 12 175.098 175.305 -0.207 1 1 116 . 4 1 1 A 14 14 ARG CA C 12 57.370 57.855 -0.485 1 1 117 . 4 1 1 A 14 14 ARG CB C 12 31.631 30.743 0.888 1 1 120 . 4 1 1 A 14 14 ARG N N 12 122.779 127.495 -4.716 1 1 121 . 4 1 1 A 15 15 PHE H H 13 7.571 7.695 -0.124 1 1 122 . 4 1 1 A 15 15 PHE HA H 13 4.510 4.929 -0.419 1 1 129 . 4 1 1 A 15 15 PHE C C 13 174.162 174.910 -0.748 1 1 130 . 4 1 1 A 15 15 PHE CA C 13 56.289 56.195 0.094 1 1 131 . 4 1 1 A 15 15 PHE CB C 13 41.320 42.398 -1.078 1 1 134 . 4 1 1 A 15 15 PHE N N 13 116.797 116.044 0.753 1 1 135 . 4 1 1 A 16 16 PHE H H 14 8.084 8.415 -0.331 1 1 136 . 4 1 1 A 16 16 PHE HA H 14 4.767 5.621 -0.854 1 1 143 . 4 1 1 A 16 16 PHE C C 14 175.441 173.734 1.707 1 1 144 . 4 1 1 A 16 16 PHE CA C 14 55.767 55.226 0.541 1 1 145 . 4 1 1 A 16 16 PHE CB C 14 41.320 42.431 -1.111 1 1 148 . 4 1 1 A 16 16 PHE N N 14 118.930 119.325 -0.395 1 1 149 . 4 1 1 A 17 17 GLU H H 15 8.815 9.610 -0.795 1 1 150 . 4 1 1 A 17 17 GLU HA H 15 4.579 4.401 0.178 1 1 155 . 4 1 1 A 17 17 GLU C C 15 176.857 177.665 -0.808 1 1 156 . 4 1 1 A 17 17 GLU CA C 15 56.289 57.397 -1.108 1 1 157 . 4 1 1 A 17 17 GLU CB C 15 31.173 30.076 1.097 1 1 159 . 4 1 1 A 17 17 GLU N N 15 122.929 123.611 -0.682 1 1 160 . 4 1 1 A 18 18 SER H H 16 8.751 9.039 -0.288 1 1 161 . 4 1 1 A 18 18 SER HA H 16 4.762 4.732 0.030 1 1 164 . 4 1 1 A 18 18 SER C C 16 177.497 174.851 2.646 1 1 165 . 4 1 1 A 18 18 SER CA C 16 59.328 58.277 1.051 1 1 166 . 4 1 1 A 18 18 SER CB C 16 64.515 64.399 0.116 1 1 167 . 4 1 1 A 18 18 SER N N 16 118.860 116.739 2.121 1 1 168 . 4 1 1 A 19 19 HIS H H 17 8.761 7.784 0.977 1 1 169 . 4 1 1 A 19 19 HIS HA H 17 4.832 5.005 -0.173 1 1 174 . 4 1 1 A 19 19 HIS C C 17 174.618 173.609 1.009 1 1 175 . 4 1 1 A 19 19 HIS CA C 17 56.449 54.259 2.190 1 1 176 . 4 1 1 A 19 19 HIS CB C 17 30.214 29.682 0.532 1 1 179 . 4 1 1 A 19 19 HIS N N 17 120.535 120.506 0.029 1 1 180 . 4 1 1 A 20 20 VAL H H 18 7.085 8.972 -1.887 1 1 181 . 4 1 1 A 20 20 VAL HA H 18 4.160 4.945 -0.785 1 1 189 . 4 1 1 A 20 20 VAL C C 18 174.436 174.135 0.301 1 1 190 . 4 1 1 A 20 20 VAL CA C 18 62.167 59.930 2.237 1 1 191 . 4 1 1 A 20 20 VAL CB C 18 34.426 34.678 -0.252 1 1 193 . 4 1 1 A 20 20 VAL N N 18 120.872 123.063 -2.191 1 1 194 . 4 1 1 A 21 21 ALA H H 19 8.521 8.684 -0.163 1 1 195 . 4 1 1 A 21 21 ALA HA H 19 4.367 4.563 -0.196 1 1 199 . 4 1 1 A 21 21 ALA C C 19 177.657 178.253 -0.596 1 1 200 . 4 1 1 A 21 21 ALA CA C 19 51.193 50.546 0.647 1 1 201 . 4 1 1 A 21 21 ALA CB C 19 19.790 20.352 -0.562 1 1 202 . 4 1 1 A 21 21 ALA N N 19 131.339 128.172 3.167 1 1 203 . 4 1 1 A 22 22 ARG H H 20 7.790 8.120 -0.330 1 1 204 . 4 1 1 A 22 22 ARG HA H 20 2.451 3.462 -1.011 1 1 211 . 4 1 1 A 22 22 ARG C C 20 178.365 176.710 1.655 1 1 212 . 4 1 1 A 22 22 ARG CA C 20 59.379 57.486 1.893 1 1 213 . 4 1 1 A 22 22 ARG CB C 20 29.572 28.534 1.038 1 1 216 . 4 1 1 A 22 22 ARG N N 20 124.365 123.785 0.580 1 1 217 . 4 1 1 A 23 23 ALA H H 21 8.120 7.402 0.718 1 1 218 . 4 1 1 A 23 23 ALA HA H 21 4.060 4.116 -0.056 1 1 222 . 4 1 1 A 23 23 ALA C C 21 178.000 177.718 0.282 1 1 223 . 4 1 1 A 23 23 ALA CA C 21 54.100 53.182 0.918 1 1 224 . 4 1 1 A 23 23 ALA CB C 21 18.713 18.559 0.154 1 1 225 . 4 1 1 A 23 23 ALA N N 21 117.156 121.671 -4.515 1 1 226 . 4 1 1 A 24 24 ASN H H 22 7.707 8.096 -0.389 1 1 227 . 4 1 1 A 24 24 ASN HA H 22 5.010 4.830 0.180 1 1 232 . 4 1 1 A 24 24 ASN C C 22 174.938 174.780 0.158 1 1 233 . 4 1 1 A 24 24 ASN CA C 22 52.869 52.491 0.378 1 1 234 . 4 1 1 A 24 24 ASN CB C 22 40.573 39.037 1.536 1 1 235 . 4 1 1 A 24 24 ASN N N 22 112.819 115.299 -2.480 1 1 237 . 4 1 1 A 25 25 VAL H H 23 7.489 7.368 0.121 1 1 238 . 4 1 1 A 25 25 VAL HA H 23 4.888 4.215 0.673 1 1 246 . 4 1 1 A 25 25 VAL C C 23 175.829 175.600 0.229 1 1 247 . 4 1 1 A 25 25 VAL CA C 23 59.870 60.854 -0.984 1 1 248 . 4 1 1 A 25 25 VAL CB C 23 35.396 33.121 2.275 1 1 251 . 4 1 1 A 25 25 VAL N N 23 119.721 117.765 1.956 1 1 252 . 4 1 1 A 26 26 LYS H H 24 9.480 9.328 0.152 1 1 253 . 4 1 1 A 26 26 LYS HA H 24 4.353 4.376 -0.023 1 1 262 . 4 1 1 A 26 26 LYS C C 24 176.606 176.672 -0.066 1 1 263 . 4 1 1 A 26 26 LYS CA C 24 58.977 57.521 1.456 1 1 264 . 4 1 1 A 26 26 LYS CB C 24 34.567 33.322 1.245 1 1 268 . 4 1 1 A 26 26 LYS N N 24 127.843 122.874 4.969 1 1 269 . 4 1 1 A 27 27 HIS H H 25 7.237 7.716 -0.479 1 1 270 . 4 1 1 A 27 27 HIS HA H 25 4.979 5.162 -0.183 1 1 275 . 4 1 1 A 27 27 HIS C C 25 178.434 172.596 5.838 1 1 276 . 4 1 1 A 27 27 HIS CA C 25 55.406 54.470 0.936 1 1 277 . 4 1 1 A 27 27 HIS CB C 25 32.480 32.308 0.172 1 1 280 . 4 1 1 A 27 27 HIS N N 25 109.556 114.013 -4.457 1 1 281 . 4 1 1 A 28 28 LEU H H 26 8.189 8.986 -0.797 1 1 282 . 4 1 1 A 28 28 LEU HA H 26 5.190 5.099 0.091 1 1 292 . 4 1 1 A 28 28 LEU C C 26 175.510 175.056 0.454 1 1 293 . 4 1 1 A 28 28 LEU CA C 26 53.480 53.231 0.249 1 1 294 . 4 1 1 A 28 28 LEU CB C 26 45.235 44.660 0.575 1 1 298 . 4 1 1 A 28 28 LEU N N 26 117.260 120.050 -2.790 1 1 299 . 4 1 1 A 29 29 LYS H H 27 9.572 9.499 0.073 1 1 300 . 4 1 1 A 29 29 LYS HA H 27 5.372 5.096 0.276 1 1 309 . 4 1 1 A 29 29 LYS C C 27 174.801 174.768 0.033 1 1 310 . 4 1 1 A 29 29 LYS CA C 27 55.165 54.741 0.424 1 1 311 . 4 1 1 A 29 29 LYS CB C 27 35.253 35.290 -0.037 1 1 315 . 4 1 1 A 29 29 LYS N N 27 123.488 125.423 -1.935 1 1 316 . 4 1 1 A 30 30 ILE H H 28 9.136 9.094 0.042 1 1 317 . 4 1 1 A 30 30 ILE HA H 28 4.924 5.276 -0.352 1 1 327 . 4 1 1 A 30 30 ILE C C 28 176.949 175.171 1.778 1 1 328 . 4 1 1 A 30 30 ILE CA C 28 60.542 59.451 1.091 1 1 329 . 4 1 1 A 30 30 ILE CB C 28 39.600 39.199 0.401 1 1 333 . 4 1 1 A 30 30 ILE N N 28 123.846 128.442 -4.596 1 1 334 . 4 1 1 A 31 31 LEU H H 29 8.805 9.023 -0.218 1 1 335 . 4 1 1 A 31 31 LEU HA H 29 4.535 5.073 -0.538 1 1 344 . 4 1 1 A 31 31 LEU C C 29 176.012 174.780 1.232 1 1 345 . 4 1 1 A 31 31 LEU CA C 29 55.366 53.728 1.638 1 1 346 . 4 1 1 A 31 31 LEU CB C 29 43.180 45.946 -2.766 1 1 349 . 4 1 1 A 31 31 LEU N N 29 128.649 127.089 1.560 1 1 350 . 4 1 1 A 32 32 ASN H H 30 8.216 8.692 -0.476 1 1 351 . 4 1 1 A 32 32 ASN HA H 30 5.005 5.123 -0.118 1 1 356 . 4 1 1 A 32 32 ASN C C 30 174.664 174.419 0.245 1 1 357 . 4 1 1 A 32 32 ASN CA C 30 52.517 51.985 0.532 1 1 358 . 4 1 1 A 32 32 ASN CB C 30 38.776 40.506 -1.730 1 1 359 . 4 1 1 A 32 32 ASN N N 30 120.791 118.567 2.224 1 1 361 . 4 1 1 A 33 33 THR H H 31 7.883 8.484 -0.601 1 1 362 . 4 1 1 A 33 33 THR HA H 31 4.842 5.063 -0.221 1 1 367 . 4 1 1 A 33 33 THR CA C 31 58.369 58.281 0.088 1 1 368 . 4 1 1 A 33 33 THR CB C 31 70.018 70.422 -0.404 1 1 370 . 4 1 1 A 33 33 THR N N 31 115.811 115.881 -0.070 1 1 371 . 4 1 1 A 34 34 PRO HA H 32 4.317 4.419 -0.102 1 1 378 . 4 1 1 A 34 34 PRO CA C 32 65.164 65.326 -0.162 1 1 379 . 4 1 1 A 34 34 PRO CB C 32 32.484 32.088 0.396 1 1 382 . 4 1 1 A 35 35 ASN H H 33 8.259 8.301 -0.042 1 1 383 . 4 1 1 A 35 35 ASN HA H 33 4.651 4.651 0.000 1 1 388 . 4 1 1 A 35 35 ASN C C 33 174.710 174.877 -0.167 1 1 389 . 4 1 1 A 35 35 ASN CA C 33 54.532 54.455 0.077 1 1 390 . 4 1 1 A 35 35 ASN CB C 33 39.167 38.089 1.078 1 1 391 . 4 1 1 A 35 35 ASN N N 33 120.081 114.505 5.576 1 1 393 . 4 1 1 A 36 36 CYS H H 34 7.569 7.687 -0.118 1 1 394 . 4 1 1 A 36 36 CYS HA H 34 4.675 4.956 -0.281 1 1 397 . 4 1 1 A 36 36 CYS C C 34 173.865 173.879 -0.014 1 1 398 . 4 1 1 A 36 36 CYS CA C 34 55.447 54.777 0.670 1 1 399 . 4 1 1 A 36 36 CYS CB C 34 45.228 46.300 -1.072 1 1 400 . 4 1 1 A 36 36 CYS N N 34 117.076 115.538 1.538 1 1 401 . 4 1 1 A 37 37 ALA H H 35 8.472 8.410 0.062 1 1 402 . 4 1 1 A 37 37 ALA HA H 35 4.223 4.129 0.094 1 1 406 . 4 1 1 A 37 37 ALA C C 35 176.423 176.984 -0.561 1 1 407 . 4 1 1 A 37 37 ALA CA C 35 53.537 55.365 -1.828 1 1 408 . 4 1 1 A 37 37 ALA CB C 35 19.202 19.135 0.067 1 1 409 . 4 1 1 A 37 37 ALA N N 35 125.153 124.087 1.066 1 1 410 . 4 1 1 A 38 38 CYS H H 36 8.316 7.678 0.638 1 1 411 . 4 1 1 A 38 38 CYS HA H 36 4.196 4.700 -0.504 1 1 414 . 4 1 1 A 38 38 CYS C C 36 173.705 172.469 1.236 1 1 415 . 4 1 1 A 38 38 CYS CA C 36 58.616 58.263 0.353 1 1 416 . 4 1 1 A 38 38 CYS CB C 36 45.705 30.746 14.959 1 1 417 . 4 1 1 A 38 38 CYS N N 36 118.837 113.048 5.789 1 1 418 . 4 1 1 A 39 39 GLN H H 37 8.928 8.210 0.718 1 1 419 . 4 1 1 A 39 39 GLN HA H 37 4.596 5.010 -0.414 1 1 426 . 4 1 1 A 39 39 GLN C C 37 173.636 173.884 -0.248 1 1 427 . 4 1 1 A 39 39 GLN CA C 37 54.603 54.473 0.130 1 1 428 . 4 1 1 A 39 39 GLN CB C 37 31.761 32.376 -0.615 1 1 430 . 4 1 1 A 39 39 GLN N N 37 128.567 123.747 4.820 1 1 432 . 4 1 1 A 40 40 ILE H H 38 8.851 9.061 -0.210 1 1 433 . 4 1 1 A 40 40 ILE HA H 38 5.087 5.056 0.031 1 1 443 . 4 1 1 A 40 40 ILE C C 38 174.390 174.435 -0.045 1 1 444 . 4 1 1 A 40 40 ILE CA C 38 60.582 60.233 0.349 1 1 445 . 4 1 1 A 40 40 ILE CB C 38 40.048 40.890 -0.842 1 1 449 . 4 1 1 A 40 40 ILE N N 38 123.962 126.170 -2.208 1 1 450 . 4 1 1 A 41 41 VAL H H 39 9.090 9.480 -0.390 1 1 451 . 4 1 1 A 41 41 VAL HA H 39 4.822 4.732 0.090 1 1 459 . 4 1 1 A 41 41 VAL C C 39 175.487 174.575 0.912 1 1 460 . 4 1 1 A 41 41 VAL CA C 39 59.980 61.148 -1.168 1 1 461 . 4 1 1 A 41 41 VAL CB C 39 35.868 33.672 2.196 1 1 464 . 4 1 1 A 41 41 VAL N N 39 126.354 129.102 -2.748 1 1 465 . 4 1 1 A 42 42 ALA H H 40 9.513 9.318 0.195 1 1 466 . 4 1 1 A 42 42 ALA HA H 40 5.137 5.535 -0.398 1 1 470 . 4 1 1 A 42 42 ALA C C 40 175.944 175.386 0.558 1 1 471 . 4 1 1 A 42 42 ALA CA C 40 50.591 50.063 0.528 1 1 472 . 4 1 1 A 42 42 ALA CB C 40 22.432 21.490 0.942 1 1 473 . 4 1 1 A 42 42 ALA N N 40 128.406 129.658 -1.252 1 1 474 . 4 1 1 A 43 43 ARG H H 41 7.720 8.210 -0.490 1 1 475 . 4 1 1 A 43 43 ARG HA H 41 4.959 4.570 0.389 1 1 482 . 4 1 1 A 43 43 ARG C C 41 175.510 175.521 -0.011 1 1 483 . 4 1 1 A 43 43 ARG CA C 41 54.162 54.924 -0.762 1 1 484 . 4 1 1 A 43 43 ARG CB C 41 31.200 31.297 -0.097 1 1 487 . 4 1 1 A 43 43 ARG N N 41 121.795 123.415 -1.620 1 1 488 . 4 1 1 A 44 44 LEU H H 42 9.164 8.583 0.581 1 1 489 . 4 1 1 A 44 44 LEU HA H 42 5.021 4.326 0.695 1 1 499 . 4 1 1 A 44 44 LEU C C 42 177.840 177.428 0.412 1 1 500 . 4 1 1 A 44 44 LEU CA C 42 54.724 54.633 0.091 1 1 501 . 4 1 1 A 44 44 LEU CB C 42 41.712 42.088 -0.376 1 1 505 . 4 1 1 A 44 44 LEU N N 42 129.087 127.636 1.451 1 1 506 . 4 1 1 A 45 45 LYS H H 43 8.396 8.237 0.159 1 1 507 . 4 1 1 A 45 45 LYS HA H 43 3.950 4.301 -0.351 1 1 516 . 4 1 1 A 45 45 LYS CA C 43 59.016 56.325 2.691 1 1 517 . 4 1 1 A 45 45 LYS CB C 43 34.102 33.274 0.828 1 1 520 . 4 1 1 A 45 45 LYS N N 43 119.674 121.580 -1.906 1 1 521 . 4 1 1 A 48 48 ASN HA H 46 4.709 5.116 -0.407 1 1 526 . 4 1 1 A 48 48 ASN C C 46 175.098 175.445 -0.347 1 1 527 . 4 1 1 A 48 48 ASN CA C 46 54.764 51.730 3.034 1 1 528 . 4 1 1 A 48 48 ASN CB C 46 39.265 40.624 -1.359 1 1 530 . 4 1 1 A 49 49 ARG H H 47 7.923 8.231 -0.308 1 1 531 . 4 1 1 A 49 49 ARG HA H 47 4.368 4.625 -0.257 1 1 538 . 4 1 1 A 49 49 ARG C C 47 175.601 175.838 -0.237 1 1 539 . 4 1 1 A 49 49 ARG CA C 47 57.051 54.797 2.254 1 1 540 . 4 1 1 A 49 49 ARG CB C 47 32.121 31.331 0.790 1 1 543 . 4 1 1 A 49 49 ARG N N 47 119.826 120.005 -0.179 1 1 544 . 4 1 1 A 50 50 GLN H H 48 8.547 8.521 0.026 1 1 545 . 4 1 1 A 50 50 GLN HA H 48 5.441 4.984 0.457 1 1 552 . 4 1 1 A 50 50 GLN C C 48 175.578 175.524 0.054 1 1 553 . 4 1 1 A 50 50 GLN CA C 48 55.125 54.720 0.405 1 1 554 . 4 1 1 A 50 50 GLN CB C 48 32.121 30.636 1.485 1 1 556 . 4 1 1 A 50 50 GLN N N 48 120.767 119.412 1.355 1 1 558 . 4 1 1 A 51 51 VAL H H 49 8.630 8.839 -0.209 1 1 559 . 4 1 1 A 51 51 VAL HA H 49 4.826 4.935 -0.109 1 1 567 . 4 1 1 A 51 51 VAL C C 49 175.258 174.041 1.217 1 1 568 . 4 1 1 A 51 51 VAL CA C 49 59.338 59.123 0.215 1 1 569 . 4 1 1 A 51 51 VAL CB C 49 36.155 35.388 0.767 1 1 572 . 4 1 1 A 51 51 VAL N N 49 116.678 117.386 -0.708 1 1 573 . 4 1 1 A 52 52 CYS H H 50 9.095 8.664 0.431 1 1 574 . 4 1 1 A 52 52 CYS HA H 50 5.278 5.312 -0.034 1 1 577 . 4 1 1 A 52 52 CYS C C 50 174.527 172.710 1.817 1 1 578 . 4 1 1 A 52 52 CYS CA C 50 58.054 54.569 3.485 1 1 579 . 4 1 1 A 52 52 CYS CB C 50 43.162 43.972 -0.810 1 1 580 . 4 1 1 A 52 52 CYS N N 50 124.549 119.855 4.694 1 1 581 . 4 1 1 A 53 53 ILE H H 51 8.485 9.464 -0.979 1 1 582 . 4 1 1 A 53 53 ILE HA H 51 4.973 4.745 0.228 1 1 592 . 4 1 1 A 53 53 ILE C C 51 173.019 174.976 -1.957 1 1 593 . 4 1 1 A 53 53 ILE CA C 51 58.897 59.976 -1.079 1 1 594 . 4 1 1 A 53 53 ILE CB C 51 42.201 40.996 1.205 1 1 598 . 4 1 1 A 53 53 ILE N N 51 122.581 124.899 -2.318 1 1 599 . 4 1 1 A 54 54 ASP H H 52 7.661 8.595 -0.934 1 1 600 . 4 1 1 A 54 54 ASP HA H 52 3.611 4.361 -0.750 1 1 603 . 4 1 1 A 54 54 ASP CA C 52 51.574 51.681 -0.107 1 1 604 . 4 1 1 A 54 54 ASP CB C 52 42.515 41.795 0.720 1 1 605 . 4 1 1 A 54 54 ASP N N 52 125.772 126.401 -0.629 1 1 606 . 4 1 1 A 55 55 PRO HA H 53 4.010 4.313 -0.303 1 1 613 . 4 1 1 A 55 55 PRO C C 53 176.126 176.116 0.010 1 1 614 . 4 1 1 A 55 55 PRO CA C 53 63.993 63.907 0.086 1 1 615 . 4 1 1 A 55 55 PRO CB C 53 33.002 31.347 1.655 1 1 618 . 4 1 1 A 56 56 LYS H H 54 7.930 7.717 0.213 1 1 619 . 4 1 1 A 56 56 LYS HA H 54 3.988 4.385 -0.397 1 1 628 . 4 1 1 A 56 56 LYS C C 54 177.931 175.775 2.156 1 1 629 . 4 1 1 A 56 56 LYS CA C 54 56.770 55.787 0.983 1 1 630 . 4 1 1 A 56 56 LYS CB C 54 32.023 33.307 -1.284 1 1 634 . 4 1 1 A 56 56 LYS N N 54 112.924 116.249 -3.325 1 1 635 . 4 1 1 A 57 57 LEU H H 55 7.161 7.322 -0.161 1 1 636 . 4 1 1 A 57 57 LEU HA H 55 4.059 4.023 0.036 1 1 646 . 4 1 1 A 57 57 LEU C C 55 179.416 177.318 2.098 1 1 647 . 4 1 1 A 57 57 LEU CA C 55 56.088 55.481 0.607 1 1 648 . 4 1 1 A 57 57 LEU CB C 55 42.191 43.217 -1.026 1 1 652 . 4 1 1 A 57 57 LEU N N 55 120.593 123.752 -3.159 1 1 653 . 4 1 1 A 58 58 LYS H H 56 8.720 8.941 -0.221 1 1 654 . 4 1 1 A 58 58 LYS HA H 56 3.911 3.796 0.115 1 1 663 . 4 1 1 A 58 58 LYS C C 56 178.937 177.972 0.965 1 1 664 . 4 1 1 A 58 58 LYS CA C 56 60.301 59.947 0.354 1 1 665 . 4 1 1 A 58 58 LYS CB C 56 32.121 32.367 -0.246 1 1 669 . 4 1 1 A 58 58 LYS N N 56 125.479 126.169 -0.690 1 1 670 . 4 1 1 A 59 59 TRP H H 57 7.811 8.287 -0.476 1 1 671 . 4 1 1 A 59 59 TRP HA H 57 4.664 4.489 0.175 1 1 680 . 4 1 1 A 59 59 TRP C C 57 178.868 179.490 -0.622 1 1 681 . 4 1 1 A 59 59 TRP CA C 57 58.897 59.930 -1.033 1 1 682 . 4 1 1 A 59 59 TRP CB C 57 28.036 28.044 -0.008 1 1 688 . 4 1 1 A 59 59 TRP N N 57 113.433 119.249 -5.816 1 1 690 . 4 1 1 A 60 60 ILE H H 58 6.461 7.563 -1.102 1 1 691 . 4 1 1 A 60 60 ILE HA H 58 3.304 3.395 -0.091 1 1 701 . 4 1 1 A 60 60 ILE C C 58 177.726 177.777 -0.051 1 1 702 . 4 1 1 A 60 60 ILE CA C 58 64.314 64.873 -0.559 1 1 703 . 4 1 1 A 60 60 ILE CB C 58 35.897 37.368 -1.471 1 1 707 . 4 1 1 A 60 60 ILE N N 58 124.379 122.455 1.924 1 1 708 . 4 1 1 A 61 61 GLN H H 59 7.624 7.975 -0.351 1 1 709 . 4 1 1 A 61 61 GLN HA H 59 3.748 3.885 -0.137 1 1 716 . 4 1 1 A 61 61 GLN C C 59 178.434 178.821 -0.387 1 1 717 . 4 1 1 A 61 61 GLN CA C 59 59.379 59.304 0.075 1 1 718 . 4 1 1 A 61 61 GLN CB C 59 28.272 28.242 0.030 1 1 720 . 4 1 1 A 61 61 GLN N N 59 119.070 118.079 0.991 1 1 722 . 4 1 1 A 62 62 GLU H H 60 8.064 7.846 0.218 1 1 723 . 4 1 1 A 62 62 GLU HA H 60 4.083 4.100 -0.017 1 1 728 . 4 1 1 A 62 62 GLU C C 60 179.051 178.805 0.246 1 1 729 . 4 1 1 A 62 62 GLU CA C 60 59.659 59.490 0.169 1 1 730 . 4 1 1 A 62 62 GLU CB C 60 30.457 29.632 0.825 1 1 732 . 4 1 1 A 62 62 GLU N N 60 117.166 120.462 -3.296 1 1 733 . 4 1 1 A 63 63 TYR H H 61 7.924 8.474 -0.550 1 1 734 . 4 1 1 A 63 63 TYR HA H 61 4.254 4.286 -0.032 1 1 741 . 4 1 1 A 63 63 TYR C C 61 178.617 177.471 1.146 1 1 742 . 4 1 1 A 63 63 TYR CA C 61 61.184 61.466 -0.282 1 1 743 . 4 1 1 A 63 63 TYR CB C 61 39.461 38.977 0.484 1 1 746 . 4 1 1 A 63 63 TYR N N 61 121.271 122.394 -1.123 1 1 747 . 4 1 1 A 64 64 LEU H H 62 8.260 9.010 -0.750 1 1 748 . 4 1 1 A 64 64 LEU HA H 62 3.954 3.966 -0.012 1 1 758 . 4 1 1 A 64 64 LEU C C 62 179.553 179.500 0.053 1 1 759 . 4 1 1 A 64 64 LEU CA C 62 58.014 58.137 -0.123 1 1 760 . 4 1 1 A 64 64 LEU CB C 62 42.191 41.711 0.480 1 1 764 . 4 1 1 A 64 64 LEU N N 62 116.299 119.862 -3.563 1 1 765 . 4 1 1 A 65 65 GLU H H 63 8.454 8.024 0.430 1 1 766 . 4 1 1 A 65 65 GLU HA H 63 3.840 4.032 -0.192 1 1 771 . 4 1 1 A 65 65 GLU C C 63 179.279 178.867 0.412 1 1 772 . 4 1 1 A 65 65 GLU CA C 63 60.301 59.311 0.990 1 1 773 . 4 1 1 A 65 65 GLU CB C 63 29.870 29.269 0.601 1 1 775 . 4 1 1 A 65 65 GLU N N 63 118.616 117.589 1.027 1 1 776 . 4 1 1 A 66 66 LYS H H 64 7.575 8.034 -0.459 1 1 777 . 4 1 1 A 66 66 LYS HA H 64 4.212 4.041 0.171 1 1 786 . 4 1 1 A 66 66 LYS C C 64 178.457 178.676 -0.219 1 1 787 . 4 1 1 A 66 66 LYS CA C 64 58.496 59.157 -0.661 1 1 788 . 4 1 1 A 66 66 LYS CB C 64 32.400 32.202 0.198 1 1 792 . 4 1 1 A 66 66 LYS N N 64 117.166 118.259 -1.093 1 1 793 . 4 1 1 A 67 67 CYS H H 65 7.918 8.199 -0.281 1 1 794 . 4 1 1 A 67 67 CYS HA H 65 4.526 4.155 0.371 1 1 797 . 4 1 1 A 67 67 CYS C C 65 174.893 177.360 -2.467 1 1 798 . 4 1 1 A 67 67 CYS CA C 65 56.329 61.741 -5.412 1 1 799 . 4 1 1 A 67 67 CYS CB C 65 45.235 27.558 17.677 1 1 800 . 4 1 1 A 67 67 CYS N N 65 115.330 118.370 -3.040 1 1 801 . 4 1 1 A 68 68 LEU H H 66 7.559 7.374 0.185 1 1 802 . 4 1 1 A 68 68 LEU HA H 66 4.490 4.056 0.434 1 1 812 . 4 1 1 A 68 68 LEU C C 66 176.812 178.047 -1.235 1 1 813 . 4 1 1 A 68 68 LEU CA C 66 55.366 57.142 -1.776 1 1 814 . 4 1 1 A 68 68 LEU CB C 66 43.278 41.419 1.859 1 1 818 . 4 1 1 A 68 68 LEU N N 66 120.930 122.811 -1.881 1 1 819 . 4 1 1 A 69 69 ASN H H 67 8.265 8.178 0.087 1 1 820 . 4 1 1 A 69 69 ASN HA H 67 4.669 4.998 -0.329 1 1 825 . 4 1 1 A 69 69 ASN CA C 67 53.761 54.578 -0.817 1 1 826 . 4 1 1 A 69 69 ASN CB C 67 39.069 39.511 -0.442 1 1 827 . 4 1 1 A 69 69 ASN N N 67 120.279 116.247 4.032 1 1 852 . 4 2 2 B 4 4 GLU H H 102 8.329 8.236 0.093 1 1 853 . 4 2 2 B 4 4 GLU HA H 102 4.282 4.649 -0.367 1 1 858 . 4 2 2 B 4 4 GLU C C 102 177.132 176.524 0.608 1 1 859 . 4 2 2 B 4 4 GLU CA C 102 57.410 57.686 -0.276 1 1 861 . 4 2 2 B 4 4 GLU N N 102 121.884 118.943 2.941 1 1 862 . 4 2 2 B 5 5 GLY H H 103 8.335 7.571 0.764 1 1 863 . 4 2 2 B 5 5 GLY HA2 H 103 3.941 4.067 -0.126 1 1 864 . 4 2 2 B 5 5 GLY HA3 H 103 3.941 4.067 -0.126 1 1 865 . 4 2 2 B 5 5 GLY C C 103 174.207 173.610 0.597 1 1 866 . 4 2 2 B 5 5 GLY CA C 103 45.731 45.346 0.385 1 1 867 . 4 2 2 B 5 5 GLY N N 103 110.055 107.326 2.729 1 1 868 . 4 2 2 B 6 6 ILE H H 104 7.831 8.580 -0.749 1 1 869 . 4 2 2 B 6 6 ILE HA H 104 4.269 4.263 0.006 1 1 879 . 4 2 2 B 6 6 ILE C C 104 176.401 176.080 0.321 1 1 880 . 4 2 2 B 6 6 ILE CA C 104 61.558 60.720 0.838 1 1 881 . 4 2 2 B 6 6 ILE CB C 104 39.436 36.531 2.905 1 1 885 . 4 2 2 B 6 6 ILE N N 104 119.606 126.480 -6.874 1 1 886 . 4 2 2 B 7 7 SER H H 105 8.324 8.243 0.081 1 1 887 . 4 2 2 B 7 7 SER HA H 105 4.535 4.678 -0.143 1 1 890 . 4 2 2 B 7 7 SER C C 105 174.550 174.545 0.005 1 1 891 . 4 2 2 B 7 7 SER CA C 105 58.667 57.758 0.909 1 1 892 . 4 2 2 B 7 7 SER CB C 105 64.072 64.232 -0.160 1 1 893 . 4 2 2 B 7 7 SER N N 105 119.717 118.062 1.655 1 1 937 . 4 2 2 B 11 11 SER H H 109 8.211 8.797 -0.586 1 1 938 . 4 2 2 B 11 11 SER HA H 109 4.507 4.853 -0.346 1 1 941 . 4 2 2 B 11 11 SER C C 109 174.504 172.694 1.810 1 1 942 . 4 2 2 B 11 11 SER CA C 109 58.919 57.362 1.557 1 1 943 . 4 2 2 B 11 11 SER CB C 109 64.198 62.568 1.630 1 1 944 . 4 2 2 B 11 11 SER N N 109 117.260 120.695 -3.435 1 1 945 . 4 2 2 B 12 12 ASP H H 110 8.323 8.549 -0.226 1 1 946 . 4 2 2 B 12 12 ASP HA H 110 4.620 5.030 -0.410 1 1 949 . 4 2 2 B 12 12 ASP C C 110 176.058 174.905 1.153 1 1 950 . 4 2 2 B 12 12 ASP CA C 110 55.022 53.201 1.821 1 1 951 . 4 2 2 B 12 12 ASP CB C 110 41.825 41.048 0.777 1 1 952 . 4 2 2 B 12 12 ASP N N 110 122.020 127.477 -5.457 1 1 986 . 4 2 2 B 16 16 GLU H H 114 8.378 8.430 -0.052 1 1 987 . 4 2 2 B 16 16 GLU HA H 114 4.268 4.401 -0.133 1 1 992 . 4 2 2 B 16 16 GLU C C 114 176.766 175.429 1.337 1 1 993 . 4 2 2 B 16 16 GLU CA C 114 57.410 56.541 0.869 1 1 994 . 4 2 2 B 16 16 GLU CB C 114 30.620 29.321 1.299 1 1 996 . 4 2 2 B 16 16 GLU N N 114 123.052 120.189 2.863 1 1 997 . 4 2 2 B 17 17 GLU H H 115 8.326 8.991 -0.665 1 1 998 . 4 2 2 B 17 17 GLU HA H 115 4.274 4.708 -0.434 1 1 1003 . 4 2 2 B 17 17 GLU C C 115 176.880 175.404 1.476 1 1 1004 . 4 2 2 B 17 17 GLU CA C 115 57.410 55.987 1.423 1 1 1005 . 4 2 2 B 17 17 GLU CB C 115 30.525 30.390 0.135 1 1 1007 . 4 2 2 B 17 17 GLU N N 115 121.688 125.331 -3.643 1 1 1008 . 4 2 2 B 18 18 MET H H 116 8.309 8.757 -0.448 1 1 1009 . 4 2 2 B 18 18 MET HA H 116 4.473 5.111 -0.638 1 1 1014 . 4 2 2 B 18 18 MET C C 116 177.086 175.699 1.387 1 1 1015 . 4 2 2 B 18 18 MET CA C 116 56.279 54.613 1.666 1 1 1016 . 4 2 2 B 18 18 MET CB C 116 33.026 35.972 -2.946 1 1 1017 . 4 2 2 B 18 18 MET N N 116 121.270 124.703 -3.433 1 1 1018 . 4 2 2 B 19 19 GLY H H 117 8.335 8.403 -0.068 1 1 1019 . 4 2 2 B 19 19 GLY HA2 H 117 4.054 3.976 0.078 1 1 1020 . 4 2 2 B 19 19 GLY HA3 H 117 4.054 3.976 0.078 1 1 1021 . 4 2 2 B 19 19 GLY C C 117 174.481 174.128 0.353 1 1 1022 . 4 2 2 B 19 19 GLY CA C 117 45.847 45.510 0.337 1 1 1023 . 4 2 2 B 19 19 GLY N N 117 110.055 111.793 -1.738 1 1 1024 . 4 2 2 B 20 20 SER H H 118 8.230 7.891 0.339 1 1 1025 . 4 2 2 B 20 20 SER HA H 118 4.476 4.610 -0.134 1 1 1028 . 4 2 2 B 20 20 SER C C 118 175.327 174.749 0.578 1 1 1029 . 4 2 2 B 20 20 SER CA C 118 58.919 57.469 1.450 1 1 1030 . 4 2 2 B 20 20 SER CB C 118 64.575 64.476 0.099 1 1 1031 . 4 2 2 B 20 20 SER N N 118 115.664 114.742 0.922 1 1 1032 . 4 2 2 B 21 21 GLY H H 119 8.354 8.721 -0.367 1 1 1033 . 4 2 2 B 21 21 GLY HA2 H 119 3.941 4.066 -0.125 1 1 1034 . 4 2 2 B 21 21 GLY HA3 H 119 3.941 4.066 -0.125 1 1 1035 . 4 2 2 B 21 21 GLY C C 119 174.002 173.266 0.736 1 1 1036 . 4 2 2 B 21 21 GLY CA C 119 45.721 45.947 -0.226 1 1 1037 . 4 2 2 B 21 21 GLY N N 119 110.872 109.262 1.610 1 1 1068 . 4 2 2 B 25 25 SER H H 123 8.155 8.222 -0.067 1 1 1069 . 4 2 2 B 25 25 SER HA H 123 4.391 4.068 0.323 1 1 1072 . 4 2 2 B 25 25 SER C C 123 175.075 172.880 2.195 1 1 1073 . 4 2 2 B 25 25 SER CA C 123 59.347 59.584 -0.237 1 1 1074 . 4 2 2 B 25 25 SER CB C 123 63.879 62.604 1.275 1 1 1075 . 4 2 2 B 25 25 SER N N 123 116.126 113.770 2.356 1 1 1076 . 4 2 2 B 26 26 MET H H 124 8.221 7.591 0.630 1 1 1077 . 4 2 2 B 26 26 MET HA H 124 4.476 5.083 -0.607 1 1 1082 . 4 2 2 B 26 26 MET C C 124 176.355 174.811 1.544 1 1 1083 . 4 2 2 B 26 26 MET CA C 124 56.279 54.839 1.440 1 1 1084 . 4 2 2 B 26 26 MET CB C 124 32.900 35.808 -2.908 1 1 1086 . 4 2 2 B 26 26 MET N N 124 121.210 119.687 1.523 1 1 1087 . 4 2 2 B 27 27 LYS H H 125 8.025 8.786 -0.761 1 1 1088 . 4 2 2 B 27 27 LYS HA H 125 4.312 4.948 -0.636 1 1 1097 . 4 2 2 B 27 27 LYS C C 125 176.355 175.375 0.980 1 1 1098 . 4 2 2 B 27 27 LYS CA C 125 56.656 54.580 2.076 1 1 1099 . 4 2 2 B 27 27 LYS CB C 125 33.529 37.133 -3.604 1 1 1103 . 4 2 2 B 27 27 LYS N N 125 121.457 122.388 -0.931 1 1 1104 . 4 2 2 B 28 28 GLU H H 126 8.222 8.693 -0.471 1 1 1105 . 4 2 2 B 28 28 GLU N N 126 122.740 119.995 2.745 1 1 1106 . 4 2 2 B 29 29 PRO HA H 127 4.355 4.548 -0.193 1 1 1113 . 4 2 2 B 29 29 PRO C C 127 176.812 177.818 -1.006 1 1 1114 . 4 2 2 B 29 29 PRO CA C 127 63.821 63.066 0.755 1 1 1115 . 4 2 2 B 29 29 PRO CB C 127 32.272 31.750 0.522 1 1 1118 . 4 2 2 B 30 30 ALA H H 128 8.267 8.685 -0.418 1 1 1119 . 4 2 2 B 30 30 ALA HA H 128 4.269 4.099 0.170 1 1 1123 . 4 2 2 B 30 30 ALA C C 128 177.589 177.921 -0.332 1 1 1124 . 4 2 2 B 30 30 ALA CA C 128 52.873 55.030 -2.157 1 1 1125 . 4 2 2 B 30 30 ALA CB C 128 19.703 19.044 0.659 1 1 1126 . 4 2 2 B 30 30 ALA N N 128 123.577 127.937 -4.360 1 1 1127 . 4 2 2 B 31 31 PHE H H 129 8.019 8.243 -0.224 1 1 1128 . 4 2 2 B 31 31 PHE HA H 129 4.621 4.376 0.245 1 1 1136 . 4 2 2 B 31 31 PHE C C 129 175.624 175.611 0.013 1 1 1137 . 4 2 2 B 31 31 PHE CA C 129 58.039 60.348 -2.309 1 1 1138 . 4 2 2 B 31 31 PHE CB C 129 40.055 38.458 1.597 1 1 1142 . 4 2 2 B 31 31 PHE N N 129 118.994 117.726 1.268 1 1 1143 . 4 2 2 B 32 32 ARG H H 130 8.029 8.274 -0.245 1 1 1144 . 4 2 2 B 32 32 ARG HA H 130 4.309 4.203 0.106 1 1 1151 . 4 2 2 B 32 32 ARG C C 130 175.875 175.793 0.082 1 1 1152 . 4 2 2 B 32 32 ARG CA C 130 56.154 55.481 0.673 1 1 1153 . 4 2 2 B 32 32 ARG CB C 130 31.643 29.910 1.733 1 1 1156 . 4 2 2 B 32 32 ARG N N 130 122.929 122.989 -0.060 1 1 1157 . 4 2 2 B 33 33 GLU H H 131 8.374 7.959 0.415 1 1 1158 . 4 2 2 B 33 33 GLU HA H 131 4.276 4.361 -0.085 1 1 1163 . 4 2 2 B 33 33 GLU C C 131 176.766 175.910 0.856 1 1 1164 . 4 2 2 B 33 33 GLU CA C 131 57.285 58.646 -1.361 1 1 1165 . 4 2 2 B 33 33 GLU CB C 131 30.512 28.687 1.825 1 1 1167 . 4 2 2 B 33 33 GLU N N 131 122.719 115.067 7.652 1 1 1168 . 4 2 2 B 34 34 GLU H H 132 8.509 8.647 -0.138 1 1 1169 . 4 2 2 B 34 34 GLU HA H 132 4.271 4.694 -0.423 1 1 1174 . 4 2 2 B 34 34 GLU C C 132 176.560 176.860 -0.300 1 1 1175 . 4 2 2 B 34 34 GLU CA C 132 57.400 55.252 2.148 1 1 1176 . 4 2 2 B 34 34 GLU CB C 132 30.530 29.795 0.735 1 1 1178 . 4 2 2 B 34 34 GLU N N 132 122.122 118.689 3.433 1 1 1179 . 4 2 2 B 35 35 ASN H H 133 8.362 7.760 0.602 1 1 1180 . 4 2 2 B 35 35 ASN HA H 133 4.693 4.468 0.225 1 1 1183 . 4 2 2 B 35 35 ASN C C 133 175.258 175.690 -0.432 1 1 1184 . 4 2 2 B 35 35 ASN CA C 133 53.765 53.947 -0.182 1 1 1185 . 4 2 2 B 35 35 ASN CB C 133 39.562 38.437 1.125 1 1 1186 . 4 2 2 B 35 35 ASN N N 133 119.552 119.837 -0.285 1 1 1187 . 4 2 2 B 36 36 ALA H H 134 8.155 8.657 -0.502 1 1 1188 . 4 2 2 B 36 36 ALA HA H 134 4.265 4.670 -0.405 1 1 1192 . 4 2 2 B 36 36 ALA C C 134 177.520 174.541 2.979 1 1 1193 . 4 2 2 B 36 36 ALA CA C 134 52.873 51.072 1.801 1 1 1194 . 4 2 2 B 36 36 ALA CB C 134 19.703 23.416 -3.713 1 1 1195 . 4 2 2 B 36 36 ALA N N 134 124.376 126.025 -1.649 1 1 1196 . 4 2 2 B 37 37 ASN H H 135 8.210 8.652 -0.442 1 1 1197 . 4 2 2 B 37 37 ASN HA H 135 4.688 4.806 -0.118 1 1 1200 . 4 2 2 B 37 37 ASN C C 135 175.144 174.419 0.725 1 1 1201 . 4 2 2 B 37 37 ASN CA C 135 53.640 51.562 2.078 1 1 1202 . 4 2 2 B 37 37 ASN CB C 135 39.311 39.825 -0.514 1 1 1203 . 4 2 2 B 37 37 ASN N N 135 117.103 118.871 -1.768 1 1 1204 . 4 2 2 B 38 38 PHE H H 136 7.997 8.640 -0.643 1 1 1205 . 4 2 2 B 38 38 PHE HA H 136 4.623 4.612 0.011 1 1 1212 . 4 2 2 B 38 38 PHE C C 136 175.601 175.178 0.423 1 1 1213 . 4 2 2 B 38 38 PHE CA C 136 58.165 59.002 -0.837 1 1 1214 . 4 2 2 B 38 38 PHE CB C 136 39.939 38.936 1.003 1 1 1217 . 4 2 2 B 38 38 PHE N N 136 120.229 125.596 -5.367 1 1 1218 . 4 2 2 B 39 39 ASN H H 137 8.272 9.064 -0.792 1 1 1219 . 4 2 2 B 39 39 ASN HA H 137 4.702 4.944 -0.242 1 1 1222 . 4 2 2 B 39 39 ASN C C 137 174.047 174.324 -0.277 1 1 1223 . 4 2 2 B 39 39 ASN CA C 137 53.891 52.462 1.429 1 1 1224 . 4 2 2 B 39 39 ASN CB C 137 39.688 38.904 0.784 1 1 1225 . 4 2 2 B 39 39 ASN N N 137 120.594 124.509 -3.915 1 1 3 . 5 1 1 A 4 4 PRO HA H 2 4.510 4.422 0.088 1 1 10 . 5 1 1 A 4 4 PRO C C 2 177.132 176.472 0.660 1 1 11 . 5 1 1 A 4 4 PRO CA C 2 63.529 63.281 0.248 1 1 12 . 5 1 1 A 4 4 PRO CB C 2 32.476 31.886 0.590 1 1 15 . 5 1 1 A 5 5 VAL H H 3 8.201 8.353 -0.152 1 1 16 . 5 1 1 A 5 5 VAL HA H 3 4.140 4.281 -0.141 1 1 24 . 5 1 1 A 5 5 VAL C C 3 176.423 176.557 -0.134 1 1 25 . 5 1 1 A 5 5 VAL CA C 3 62.873 61.235 1.638 1 1 26 . 5 1 1 A 5 5 VAL CB C 3 33.455 32.980 0.475 1 1 28 . 5 1 1 A 5 5 VAL N N 3 120.488 122.996 -2.508 1 1 29 . 5 1 1 A 6 6 SER H H 4 8.276 8.473 -0.197 1 1 30 . 5 1 1 A 6 6 SER HA H 4 4.487 4.698 -0.211 1 1 33 . 5 1 1 A 6 6 SER C C 4 174.687 174.966 -0.279 1 1 34 . 5 1 1 A 6 6 SER CA C 4 58.375 57.395 0.980 1 1 35 . 5 1 1 A 6 6 SER CB C 4 64.295 64.263 0.032 1 1 36 . 5 1 1 A 6 6 SER N N 4 119.000 120.062 -1.062 1 1 37 . 5 1 1 A 7 7 LEU H H 5 8.238 7.459 0.779 1 1 38 . 5 1 1 A 7 7 LEU HA H 5 4.397 4.222 0.175 1 1 44 . 5 1 1 A 7 7 LEU C C 5 177.406 176.856 0.550 1 1 45 . 5 1 1 A 7 7 LEU CA C 5 55.766 54.620 1.146 1 1 46 . 5 1 1 A 7 7 LEU CB C 5 43.132 42.004 1.128 1 1 48 . 5 1 1 A 7 7 LEU N N 5 124.704 121.527 3.177 1 1 49 . 5 1 1 A 8 8 SER H H 6 8.148 8.424 -0.276 1 1 50 . 5 1 1 A 8 8 SER HA H 6 4.438 4.827 -0.389 1 1 53 . 5 1 1 A 8 8 SER C C 6 174.321 172.025 2.296 1 1 54 . 5 1 1 A 8 8 SER CA C 6 58.718 57.106 1.612 1 1 55 . 5 1 1 A 8 8 SER CB C 6 64.295 65.511 -1.216 1 1 56 . 5 1 1 A 8 8 SER N N 6 115.960 118.275 -2.315 1 1 57 . 5 1 1 A 9 9 TYR H H 7 7.915 8.872 -0.957 1 1 58 . 5 1 1 A 9 9 TYR HA H 7 4.585 4.729 -0.144 1 1 65 . 5 1 1 A 9 9 TYR C C 7 175.532 174.628 0.904 1 1 66 . 5 1 1 A 9 9 TYR CA C 7 58.335 57.158 1.177 1 1 67 . 5 1 1 A 9 9 TYR CB C 7 39.474 37.247 2.227 1 1 70 . 5 1 1 A 9 9 TYR N N 7 121.884 120.205 1.679 1 1 71 . 5 1 1 A 10 10 ARG H H 8 8.117 8.505 -0.388 1 1 72 . 5 1 1 A 10 10 ARG HA H 8 4.337 4.991 -0.654 1 1 79 . 5 1 1 A 10 10 ARG C C 8 175.898 174.542 1.356 1 1 80 . 5 1 1 A 10 10 ARG CA C 8 56.048 54.086 1.962 1 1 81 . 5 1 1 A 10 10 ARG CB C 8 31.492 33.610 -2.118 1 1 84 . 5 1 1 A 10 10 ARG N N 8 121.977 125.668 -3.691 1 1 85 . 5 1 1 A 11 11 CYS H H 9 8.127 8.705 -0.578 1 1 86 . 5 1 1 A 11 11 CYS HA H 9 4.984 5.044 -0.060 1 1 89 . 5 1 1 A 11 11 CYS C C 9 177.771 173.543 4.228 1 1 90 . 5 1 1 A 11 11 CYS CA C 9 53.192 54.060 -0.868 1 1 91 . 5 1 1 A 11 11 CYS CB C 9 40.897 43.513 -2.616 1 1 92 . 5 1 1 A 11 11 CYS N N 9 121.209 124.037 -2.828 1 1 93 . 5 1 1 A 12 12 PRO HA H 10 4.321 4.296 0.025 1 1 100 . 5 1 1 A 12 12 PRO CA C 10 65.478 65.576 -0.098 1 1 101 . 5 1 1 A 12 12 PRO CB C 10 32.904 31.384 1.520 1 1 104 . 5 1 1 A 13 13 CYS H H 11 8.633 7.834 0.799 1 1 105 . 5 1 1 A 13 13 CYS C C 11 174.618 173.165 1.453 1 1 106 . 5 1 1 A 13 13 CYS N N 11 114.595 115.825 -1.230 1 1 107 . 5 1 1 A 14 14 ARG H H 12 8.236 9.003 -0.767 1 1 108 . 5 1 1 A 14 14 ARG HA H 12 4.067 4.277 -0.210 1 1 115 . 5 1 1 A 14 14 ARG C C 12 175.098 175.864 -0.766 1 1 116 . 5 1 1 A 14 14 ARG CA C 12 57.370 57.340 0.030 1 1 117 . 5 1 1 A 14 14 ARG CB C 12 31.631 31.324 0.307 1 1 120 . 5 1 1 A 14 14 ARG N N 12 122.779 122.650 0.129 1 1 121 . 5 1 1 A 15 15 PHE H H 13 7.571 7.687 -0.116 1 1 122 . 5 1 1 A 15 15 PHE HA H 13 4.510 5.007 -0.497 1 1 129 . 5 1 1 A 15 15 PHE C C 13 174.162 175.069 -0.907 1 1 130 . 5 1 1 A 15 15 PHE CA C 13 56.289 56.494 -0.205 1 1 131 . 5 1 1 A 15 15 PHE CB C 13 41.320 43.210 -1.890 1 1 134 . 5 1 1 A 15 15 PHE N N 13 116.797 114.749 2.048 1 1 135 . 5 1 1 A 16 16 PHE H H 14 8.084 8.169 -0.085 1 1 136 . 5 1 1 A 16 16 PHE HA H 14 4.767 5.530 -0.763 1 1 143 . 5 1 1 A 16 16 PHE C C 14 175.441 174.729 0.712 1 1 144 . 5 1 1 A 16 16 PHE CA C 14 55.767 55.390 0.377 1 1 145 . 5 1 1 A 16 16 PHE CB C 14 41.320 42.101 -0.781 1 1 148 . 5 1 1 A 16 16 PHE N N 14 118.930 118.434 0.496 1 1 149 . 5 1 1 A 17 17 GLU H H 15 8.815 9.722 -0.907 1 1 150 . 5 1 1 A 17 17 GLU HA H 15 4.579 4.553 0.026 1 1 155 . 5 1 1 A 17 17 GLU C C 15 176.857 176.204 0.653 1 1 156 . 5 1 1 A 17 17 GLU CA C 15 56.289 56.863 -0.574 1 1 157 . 5 1 1 A 17 17 GLU CB C 15 31.173 30.335 0.838 1 1 159 . 5 1 1 A 17 17 GLU N N 15 122.929 120.950 1.979 1 1 160 . 5 1 1 A 18 18 SER H H 16 8.751 8.730 0.021 1 1 161 . 5 1 1 A 18 18 SER HA H 16 4.762 4.671 0.091 1 1 164 . 5 1 1 A 18 18 SER C C 16 177.497 174.506 2.991 1 1 165 . 5 1 1 A 18 18 SER CA C 16 59.328 58.985 0.343 1 1 166 . 5 1 1 A 18 18 SER CB C 16 64.515 64.596 -0.081 1 1 167 . 5 1 1 A 18 18 SER N N 16 118.860 119.352 -0.492 1 1 168 . 5 1 1 A 19 19 HIS H H 17 8.761 7.804 0.957 1 1 169 . 5 1 1 A 19 19 HIS HA H 17 4.832 5.025 -0.193 1 1 174 . 5 1 1 A 19 19 HIS C C 17 174.618 173.475 1.143 1 1 175 . 5 1 1 A 19 19 HIS CA C 17 56.449 54.275 2.174 1 1 176 . 5 1 1 A 19 19 HIS CB C 17 30.214 29.542 0.672 1 1 179 . 5 1 1 A 19 19 HIS N N 17 120.535 117.968 2.567 1 1 180 . 5 1 1 A 20 20 VAL H H 18 7.085 8.963 -1.878 1 1 181 . 5 1 1 A 20 20 VAL HA H 18 4.160 5.006 -0.846 1 1 189 . 5 1 1 A 20 20 VAL C C 18 174.436 174.405 0.031 1 1 190 . 5 1 1 A 20 20 VAL CA C 18 62.167 59.820 2.347 1 1 191 . 5 1 1 A 20 20 VAL CB C 18 34.426 34.976 -0.550 1 1 193 . 5 1 1 A 20 20 VAL N N 18 120.872 123.201 -2.329 1 1 194 . 5 1 1 A 21 21 ALA H H 19 8.521 8.736 -0.215 1 1 195 . 5 1 1 A 21 21 ALA HA H 19 4.367 4.331 0.036 1 1 199 . 5 1 1 A 21 21 ALA C C 19 177.657 178.074 -0.417 1 1 200 . 5 1 1 A 21 21 ALA CA C 19 51.193 52.380 -1.187 1 1 201 . 5 1 1 A 21 21 ALA CB C 19 19.790 19.050 0.740 1 1 202 . 5 1 1 A 21 21 ALA N N 19 131.339 129.808 1.531 1 1 203 . 5 1 1 A 22 22 ARG H H 20 7.790 8.324 -0.534 1 1 204 . 5 1 1 A 22 22 ARG HA H 20 2.451 3.320 -0.869 1 1 211 . 5 1 1 A 22 22 ARG C C 20 178.365 177.573 0.792 1 1 212 . 5 1 1 A 22 22 ARG CA C 20 59.379 58.446 0.933 1 1 213 . 5 1 1 A 22 22 ARG CB C 20 29.572 28.888 0.684 1 1 216 . 5 1 1 A 22 22 ARG N N 20 124.365 124.235 0.130 1 1 217 . 5 1 1 A 23 23 ALA H H 21 8.120 7.764 0.356 1 1 218 . 5 1 1 A 23 23 ALA HA H 21 4.060 4.089 -0.029 1 1 222 . 5 1 1 A 23 23 ALA C C 21 178.000 177.859 0.141 1 1 223 . 5 1 1 A 23 23 ALA CA C 21 54.100 53.900 0.200 1 1 224 . 5 1 1 A 23 23 ALA CB C 21 18.713 18.303 0.410 1 1 225 . 5 1 1 A 23 23 ALA N N 21 117.156 121.229 -4.073 1 1 226 . 5 1 1 A 24 24 ASN H H 22 7.707 7.918 -0.211 1 1 227 . 5 1 1 A 24 24 ASN HA H 22 5.010 4.824 0.186 1 1 232 . 5 1 1 A 24 24 ASN C C 22 174.938 174.729 0.209 1 1 233 . 5 1 1 A 24 24 ASN CA C 22 52.869 53.171 -0.302 1 1 234 . 5 1 1 A 24 24 ASN CB C 22 40.573 39.693 0.880 1 1 235 . 5 1 1 A 24 24 ASN N N 22 112.819 115.324 -2.505 1 1 237 . 5 1 1 A 25 25 VAL H H 23 7.489 7.341 0.148 1 1 238 . 5 1 1 A 25 25 VAL HA H 23 4.888 4.636 0.252 1 1 246 . 5 1 1 A 25 25 VAL C C 23 175.829 175.589 0.240 1 1 247 . 5 1 1 A 25 25 VAL CA C 23 59.870 58.982 0.888 1 1 248 . 5 1 1 A 25 25 VAL CB C 23 35.396 34.668 0.728 1 1 251 . 5 1 1 A 25 25 VAL N N 23 119.721 115.816 3.905 1 1 252 . 5 1 1 A 26 26 LYS H H 24 9.480 8.973 0.507 1 1 253 . 5 1 1 A 26 26 LYS HA H 24 4.353 4.324 0.029 1 1 262 . 5 1 1 A 26 26 LYS C C 24 176.606 176.499 0.107 1 1 263 . 5 1 1 A 26 26 LYS CA C 24 58.977 57.696 1.281 1 1 264 . 5 1 1 A 26 26 LYS CB C 24 34.567 32.627 1.940 1 1 268 . 5 1 1 A 26 26 LYS N N 24 127.843 122.058 5.785 1 1 269 . 5 1 1 A 27 27 HIS H H 25 7.237 7.814 -0.577 1 1 270 . 5 1 1 A 27 27 HIS HA H 25 4.979 5.191 -0.212 1 1 275 . 5 1 1 A 27 27 HIS C C 25 178.434 174.141 4.293 1 1 276 . 5 1 1 A 27 27 HIS CA C 25 55.406 53.373 2.033 1 1 277 . 5 1 1 A 27 27 HIS CB C 25 32.480 32.870 -0.390 1 1 280 . 5 1 1 A 27 27 HIS N N 25 109.556 114.031 -4.475 1 1 281 . 5 1 1 A 28 28 LEU H H 26 8.189 8.874 -0.685 1 1 282 . 5 1 1 A 28 28 LEU HA H 26 5.190 5.051 0.139 1 1 292 . 5 1 1 A 28 28 LEU C C 26 175.510 175.118 0.392 1 1 293 . 5 1 1 A 28 28 LEU CA C 26 53.480 53.207 0.273 1 1 294 . 5 1 1 A 28 28 LEU CB C 26 45.235 44.069 1.166 1 1 298 . 5 1 1 A 28 28 LEU N N 26 117.260 119.668 -2.408 1 1 299 . 5 1 1 A 29 29 LYS H H 27 9.572 9.196 0.376 1 1 300 . 5 1 1 A 29 29 LYS HA H 27 5.372 5.151 0.221 1 1 309 . 5 1 1 A 29 29 LYS C C 27 174.801 174.734 0.067 1 1 310 . 5 1 1 A 29 29 LYS CA C 27 55.165 54.751 0.414 1 1 311 . 5 1 1 A 29 29 LYS CB C 27 35.253 35.302 -0.049 1 1 315 . 5 1 1 A 29 29 LYS N N 27 123.488 126.120 -2.632 1 1 316 . 5 1 1 A 30 30 ILE H H 28 9.136 9.058 0.078 1 1 317 . 5 1 1 A 30 30 ILE HA H 28 4.924 5.200 -0.276 1 1 327 . 5 1 1 A 30 30 ILE C C 28 176.949 175.377 1.572 1 1 328 . 5 1 1 A 30 30 ILE CA C 28 60.542 59.135 1.407 1 1 329 . 5 1 1 A 30 30 ILE CB C 28 39.600 38.716 0.884 1 1 333 . 5 1 1 A 30 30 ILE N N 28 123.846 128.019 -4.173 1 1 334 . 5 1 1 A 31 31 LEU H H 29 8.805 9.277 -0.472 1 1 335 . 5 1 1 A 31 31 LEU HA H 29 4.535 5.002 -0.467 1 1 344 . 5 1 1 A 31 31 LEU C C 29 176.012 174.873 1.139 1 1 345 . 5 1 1 A 31 31 LEU CA C 29 55.366 53.571 1.795 1 1 346 . 5 1 1 A 31 31 LEU CB C 29 43.180 44.872 -1.692 1 1 349 . 5 1 1 A 31 31 LEU N N 29 128.649 127.492 1.157 1 1 350 . 5 1 1 A 32 32 ASN H H 30 8.216 9.058 -0.842 1 1 351 . 5 1 1 A 32 32 ASN HA H 30 5.005 5.519 -0.514 1 1 356 . 5 1 1 A 32 32 ASN C C 30 174.664 174.097 0.567 1 1 357 . 5 1 1 A 32 32 ASN CA C 30 52.517 51.647 0.870 1 1 358 . 5 1 1 A 32 32 ASN CB C 30 38.776 42.341 -3.565 1 1 359 . 5 1 1 A 32 32 ASN N N 30 120.791 123.946 -3.155 1 1 361 . 5 1 1 A 33 33 THR H H 31 7.883 8.715 -0.832 1 1 362 . 5 1 1 A 33 33 THR HA H 31 4.842 4.936 -0.094 1 1 367 . 5 1 1 A 33 33 THR CA C 31 58.369 58.321 0.048 1 1 368 . 5 1 1 A 33 33 THR CB C 31 70.018 69.492 0.526 1 1 370 . 5 1 1 A 33 33 THR N N 31 115.811 116.087 -0.276 1 1 371 . 5 1 1 A 34 34 PRO HA H 32 4.317 4.545 -0.228 1 1 378 . 5 1 1 A 34 34 PRO CA C 32 65.164 63.327 1.837 1 1 379 . 5 1 1 A 34 34 PRO CB C 32 32.484 30.596 1.888 1 1 382 . 5 1 1 A 35 35 ASN H H 33 8.259 8.518 -0.259 1 1 383 . 5 1 1 A 35 35 ASN HA H 33 4.651 5.014 -0.363 1 1 388 . 5 1 1 A 35 35 ASN C C 33 174.710 174.092 0.618 1 1 389 . 5 1 1 A 35 35 ASN CA C 33 54.532 53.940 0.592 1 1 390 . 5 1 1 A 35 35 ASN CB C 33 39.167 41.691 -2.524 1 1 391 . 5 1 1 A 35 35 ASN N N 33 120.081 117.739 2.342 1 1 393 . 5 1 1 A 36 36 CYS H H 34 7.569 7.751 -0.182 1 1 394 . 5 1 1 A 36 36 CYS HA H 34 4.675 4.959 -0.284 1 1 397 . 5 1 1 A 36 36 CYS C C 34 173.865 173.543 0.322 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 47.113 -1.885 1 1 400 . 5 1 1 A 36 36 CYS N N 34 117.076 116.610 0.466 1 1 401 . 5 1 1 A 37 37 ALA H H 35 8.472 8.593 -0.121 1 1 402 . 5 1 1 A 37 37 ALA HA H 35 4.223 4.346 -0.123 1 1 406 . 5 1 1 A 37 37 ALA C C 35 176.423 177.060 -0.637 1 1 407 . 5 1 1 A 37 37 ALA CA C 35 53.537 51.871 1.666 1 1 408 . 5 1 1 A 37 37 ALA CB C 35 19.202 20.038 -0.836 1 1 409 . 5 1 1 A 37 37 ALA N N 35 125.153 125.056 0.097 1 1 410 . 5 1 1 A 38 38 CYS H H 36 8.316 8.584 -0.268 1 1 411 . 5 1 1 A 38 38 CYS HA H 36 4.196 4.560 -0.364 1 1 414 . 5 1 1 A 38 38 CYS C C 36 173.705 174.258 -0.553 1 1 415 . 5 1 1 A 38 38 CYS CA C 36 58.616 57.978 0.638 1 1 416 . 5 1 1 A 38 38 CYS CB C 36 45.705 26.027 19.678 1 1 417 . 5 1 1 A 38 38 CYS N N 36 118.837 118.219 0.618 1 1 418 . 5 1 1 A 39 39 GLN H H 37 8.928 8.697 0.231 1 1 419 . 5 1 1 A 39 39 GLN HA H 37 4.596 4.484 0.112 1 1 426 . 5 1 1 A 39 39 GLN C C 37 173.636 174.627 -0.991 1 1 427 . 5 1 1 A 39 39 GLN CA C 37 54.603 56.146 -1.543 1 1 428 . 5 1 1 A 39 39 GLN CB C 37 31.761 29.629 2.132 1 1 430 . 5 1 1 A 39 39 GLN N N 37 128.567 126.129 2.438 1 1 432 . 5 1 1 A 40 40 ILE H H 38 8.851 8.871 -0.020 1 1 433 . 5 1 1 A 40 40 ILE HA H 38 5.087 5.128 -0.041 1 1 443 . 5 1 1 A 40 40 ILE C C 38 174.390 174.627 -0.237 1 1 444 . 5 1 1 A 40 40 ILE CA C 38 60.582 60.027 0.555 1 1 445 . 5 1 1 A 40 40 ILE CB C 38 40.048 40.021 0.027 1 1 449 . 5 1 1 A 40 40 ILE N N 38 123.962 128.295 -4.333 1 1 450 . 5 1 1 A 41 41 VAL H H 39 9.090 9.335 -0.245 1 1 451 . 5 1 1 A 41 41 VAL HA H 39 4.822 4.811 0.011 1 1 459 . 5 1 1 A 41 41 VAL C C 39 175.487 175.161 0.326 1 1 460 . 5 1 1 A 41 41 VAL CA C 39 59.980 61.175 -1.195 1 1 461 . 5 1 1 A 41 41 VAL CB C 39 35.868 33.978 1.890 1 1 464 . 5 1 1 A 41 41 VAL N N 39 126.354 129.039 -2.685 1 1 465 . 5 1 1 A 42 42 ALA H H 40 9.513 9.630 -0.117 1 1 466 . 5 1 1 A 42 42 ALA HA H 40 5.137 5.396 -0.259 1 1 470 . 5 1 1 A 42 42 ALA C C 40 175.944 175.616 0.328 1 1 471 . 5 1 1 A 42 42 ALA CA C 40 50.591 50.008 0.583 1 1 472 . 5 1 1 A 42 42 ALA CB C 40 22.432 22.880 -0.448 1 1 473 . 5 1 1 A 42 42 ALA N N 40 128.406 128.945 -0.539 1 1 474 . 5 1 1 A 43 43 ARG H H 41 7.720 8.254 -0.534 1 1 475 . 5 1 1 A 43 43 ARG HA H 41 4.959 4.648 0.311 1 1 482 . 5 1 1 A 43 43 ARG C C 41 175.510 176.098 -0.588 1 1 483 . 5 1 1 A 43 43 ARG CA C 41 54.162 55.436 -1.274 1 1 484 . 5 1 1 A 43 43 ARG CB C 41 31.200 31.768 -0.568 1 1 487 . 5 1 1 A 43 43 ARG N N 41 121.795 121.047 0.748 1 1 488 . 5 1 1 A 44 44 LEU H H 42 9.164 8.818 0.346 1 1 489 . 5 1 1 A 44 44 LEU HA H 42 5.021 4.298 0.723 1 1 499 . 5 1 1 A 44 44 LEU C C 42 177.840 176.846 0.994 1 1 500 . 5 1 1 A 44 44 LEU CA C 42 54.724 55.229 -0.505 1 1 501 . 5 1 1 A 44 44 LEU CB C 42 41.712 42.210 -0.498 1 1 505 . 5 1 1 A 44 44 LEU N N 42 129.087 123.790 5.297 1 1 506 . 5 1 1 A 45 45 LYS H H 43 8.396 8.217 0.179 1 1 507 . 5 1 1 A 45 45 LYS HA H 43 3.950 4.119 -0.169 1 1 516 . 5 1 1 A 45 45 LYS CA C 43 59.016 56.852 2.164 1 1 517 . 5 1 1 A 45 45 LYS CB C 43 34.102 30.996 3.106 1 1 520 . 5 1 1 A 45 45 LYS N N 43 119.674 122.546 -2.872 1 1 521 . 5 1 1 A 48 48 ASN HA H 46 4.709 4.806 -0.097 1 1 526 . 5 1 1 A 48 48 ASN C C 46 175.098 174.885 0.213 1 1 527 . 5 1 1 A 48 48 ASN CA C 46 54.764 52.793 1.971 1 1 528 . 5 1 1 A 48 48 ASN CB C 46 39.265 39.900 -0.635 1 1 530 . 5 1 1 A 49 49 ARG H H 47 7.923 8.416 -0.493 1 1 531 . 5 1 1 A 49 49 ARG HA H 47 4.368 4.195 0.173 1 1 538 . 5 1 1 A 49 49 ARG C C 47 175.601 175.430 0.171 1 1 539 . 5 1 1 A 49 49 ARG CA C 47 57.051 56.044 1.007 1 1 540 . 5 1 1 A 49 49 ARG CB C 47 32.121 30.659 1.462 1 1 543 . 5 1 1 A 49 49 ARG N N 47 119.826 121.091 -1.265 1 1 544 . 5 1 1 A 50 50 GLN H H 48 8.547 8.562 -0.015 1 1 545 . 5 1 1 A 50 50 GLN HA H 48 5.441 5.372 0.069 1 1 552 . 5 1 1 A 50 50 GLN C C 48 175.578 175.506 0.072 1 1 553 . 5 1 1 A 50 50 GLN CA C 48 55.125 54.639 0.486 1 1 554 . 5 1 1 A 50 50 GLN CB C 48 32.121 30.848 1.273 1 1 556 . 5 1 1 A 50 50 GLN N N 48 120.767 120.432 0.335 1 1 558 . 5 1 1 A 51 51 VAL H H 49 8.630 9.020 -0.390 1 1 559 . 5 1 1 A 51 51 VAL HA H 49 4.826 4.900 -0.074 1 1 567 . 5 1 1 A 51 51 VAL C C 49 175.258 174.129 1.129 1 1 568 . 5 1 1 A 51 51 VAL CA C 49 59.338 59.473 -0.135 1 1 569 . 5 1 1 A 51 51 VAL CB C 49 36.155 35.250 0.905 1 1 572 . 5 1 1 A 51 51 VAL N N 49 116.678 117.396 -0.718 1 1 573 . 5 1 1 A 52 52 CYS H H 50 9.095 9.372 -0.277 1 1 574 . 5 1 1 A 52 52 CYS HA H 50 5.278 5.394 -0.116 1 1 577 . 5 1 1 A 52 52 CYS C C 50 174.527 173.119 1.408 1 1 578 . 5 1 1 A 52 52 CYS CA C 50 58.054 54.806 3.248 1 1 579 . 5 1 1 A 52 52 CYS CB C 50 43.162 45.759 -2.597 1 1 580 . 5 1 1 A 52 52 CYS N N 50 124.549 119.910 4.639 1 1 581 . 5 1 1 A 53 53 ILE H H 51 8.485 9.259 -0.774 1 1 582 . 5 1 1 A 53 53 ILE HA H 51 4.973 5.125 -0.152 1 1 592 . 5 1 1 A 53 53 ILE C C 51 173.019 174.314 -1.295 1 1 593 . 5 1 1 A 53 53 ILE CA C 51 58.897 58.899 -0.002 1 1 594 . 5 1 1 A 53 53 ILE CB C 51 42.201 40.869 1.332 1 1 598 . 5 1 1 A 53 53 ILE N N 51 122.581 117.766 4.815 1 1 599 . 5 1 1 A 54 54 ASP H H 52 7.661 8.659 -0.998 1 1 600 . 5 1 1 A 54 54 ASP HA H 52 3.611 3.923 -0.312 1 1 603 . 5 1 1 A 54 54 ASP CA C 52 51.574 51.834 -0.260 1 1 604 . 5 1 1 A 54 54 ASP CB C 52 42.515 41.995 0.520 1 1 605 . 5 1 1 A 54 54 ASP N N 52 125.772 126.072 -0.300 1 1 606 . 5 1 1 A 55 55 PRO HA H 53 4.010 4.298 -0.288 1 1 613 . 5 1 1 A 55 55 PRO C C 53 176.126 176.032 0.094 1 1 614 . 5 1 1 A 55 55 PRO CA C 53 63.993 63.765 0.228 1 1 615 . 5 1 1 A 55 55 PRO CB C 53 33.002 31.417 1.585 1 1 618 . 5 1 1 A 56 56 LYS H H 54 7.930 7.744 0.186 1 1 619 . 5 1 1 A 56 56 LYS HA H 54 3.988 4.414 -0.426 1 1 628 . 5 1 1 A 56 56 LYS C C 54 177.931 175.925 2.006 1 1 629 . 5 1 1 A 56 56 LYS CA C 54 56.770 55.688 1.082 1 1 630 . 5 1 1 A 56 56 LYS CB C 54 32.023 33.724 -1.701 1 1 634 . 5 1 1 A 56 56 LYS N N 54 112.924 116.237 -3.313 1 1 635 . 5 1 1 A 57 57 LEU H H 55 7.161 7.333 -0.172 1 1 636 . 5 1 1 A 57 57 LEU HA H 55 4.059 4.194 -0.135 1 1 646 . 5 1 1 A 57 57 LEU C C 55 179.416 177.461 1.955 1 1 647 . 5 1 1 A 57 57 LEU CA C 55 56.088 55.360 0.728 1 1 648 . 5 1 1 A 57 57 LEU CB C 55 42.191 42.849 -0.658 1 1 652 . 5 1 1 A 57 57 LEU N N 55 120.593 123.635 -3.042 1 1 653 . 5 1 1 A 58 58 LYS H H 56 8.720 9.022 -0.302 1 1 654 . 5 1 1 A 58 58 LYS HA H 56 3.911 3.889 0.022 1 1 663 . 5 1 1 A 58 58 LYS C C 56 178.937 178.093 0.844 1 1 664 . 5 1 1 A 58 58 LYS CA C 56 60.301 59.797 0.504 1 1 665 . 5 1 1 A 58 58 LYS CB C 56 32.121 32.281 -0.160 1 1 669 . 5 1 1 A 58 58 LYS N N 56 125.479 126.375 -0.896 1 1 670 . 5 1 1 A 59 59 TRP H H 57 7.811 8.345 -0.534 1 1 671 . 5 1 1 A 59 59 TRP HA H 57 4.664 4.530 0.134 1 1 680 . 5 1 1 A 59 59 TRP C C 57 178.868 179.304 -0.436 1 1 681 . 5 1 1 A 59 59 TRP CA C 57 58.897 59.944 -1.047 1 1 682 . 5 1 1 A 59 59 TRP CB C 57 28.036 28.076 -0.040 1 1 688 . 5 1 1 A 59 59 TRP N N 57 113.433 118.999 -5.566 1 1 690 . 5 1 1 A 60 60 ILE H H 58 6.461 7.307 -0.846 1 1 691 . 5 1 1 A 60 60 ILE HA H 58 3.304 3.470 -0.166 1 1 701 . 5 1 1 A 60 60 ILE C C 58 177.726 177.737 -0.011 1 1 702 . 5 1 1 A 60 60 ILE CA C 58 64.314 64.670 -0.356 1 1 703 . 5 1 1 A 60 60 ILE CB C 58 35.897 37.126 -1.229 1 1 707 . 5 1 1 A 60 60 ILE N N 58 124.379 122.521 1.858 1 1 708 . 5 1 1 A 61 61 GLN H H 59 7.624 8.198 -0.574 1 1 709 . 5 1 1 A 61 61 GLN HA H 59 3.748 3.887 -0.139 1 1 716 . 5 1 1 A 61 61 GLN C C 59 178.434 179.107 -0.673 1 1 717 . 5 1 1 A 61 61 GLN CA C 59 59.379 59.315 0.064 1 1 718 . 5 1 1 A 61 61 GLN CB C 59 28.272 28.348 -0.076 1 1 720 . 5 1 1 A 61 61 GLN N N 59 119.070 118.112 0.958 1 1 722 . 5 1 1 A 62 62 GLU H H 60 8.064 8.027 0.037 1 1 723 . 5 1 1 A 62 62 GLU HA H 60 4.083 4.084 -0.001 1 1 728 . 5 1 1 A 62 62 GLU C C 60 179.051 178.833 0.218 1 1 729 . 5 1 1 A 62 62 GLU CA C 60 59.659 59.518 0.141 1 1 730 . 5 1 1 A 62 62 GLU CB C 60 30.457 29.520 0.937 1 1 732 . 5 1 1 A 62 62 GLU N N 60 117.166 120.317 -3.151 1 1 733 . 5 1 1 A 63 63 TYR H H 61 7.924 8.104 -0.180 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 61 178.617 177.494 1.123 1 1 742 . 5 1 1 A 63 63 TYR CA C 61 61.184 61.612 -0.428 1 1 743 . 5 1 1 A 63 63 TYR CB C 61 39.461 38.785 0.676 1 1 746 . 5 1 1 A 63 63 TYR N N 61 121.271 122.419 -1.148 1 1 747 . 5 1 1 A 64 64 LEU H H 62 8.260 8.975 -0.715 1 1 748 . 5 1 1 A 64 64 LEU HA H 62 3.954 3.954 0.000 1 1 758 . 5 1 1 A 64 64 LEU C C 62 179.553 179.403 0.150 1 1 759 . 5 1 1 A 64 64 LEU CA C 62 58.014 58.269 -0.255 1 1 760 . 5 1 1 A 64 64 LEU CB C 62 42.191 41.661 0.530 1 1 764 . 5 1 1 A 64 64 LEU N N 62 116.299 120.298 -3.999 1 1 765 . 5 1 1 A 65 65 GLU H H 63 8.454 8.053 0.401 1 1 766 . 5 1 1 A 65 65 GLU HA H 63 3.840 4.026 -0.186 1 1 771 . 5 1 1 A 65 65 GLU C C 63 179.279 179.457 -0.178 1 1 772 . 5 1 1 A 65 65 GLU CA C 63 60.301 59.569 0.732 1 1 773 . 5 1 1 A 65 65 GLU CB C 63 29.870 29.199 0.671 1 1 775 . 5 1 1 A 65 65 GLU N N 63 118.616 117.672 0.944 1 1 776 . 5 1 1 A 66 66 LYS H H 64 7.575 7.693 -0.118 1 1 777 . 5 1 1 A 66 66 LYS HA H 64 4.212 4.054 0.158 1 1 786 . 5 1 1 A 66 66 LYS C C 64 178.457 179.430 -0.973 1 1 787 . 5 1 1 A 66 66 LYS CA C 64 58.496 59.091 -0.595 1 1 788 . 5 1 1 A 66 66 LYS CB C 64 32.400 32.504 -0.104 1 1 792 . 5 1 1 A 66 66 LYS N N 64 117.166 118.911 -1.745 1 1 793 . 5 1 1 A 67 67 CYS H H 65 7.918 7.964 -0.046 1 1 794 . 5 1 1 A 67 67 CYS HA H 65 4.526 4.103 0.423 1 1 797 . 5 1 1 A 67 67 CYS C C 65 174.893 177.438 -2.545 1 1 798 . 5 1 1 A 67 67 CYS CA C 65 56.329 62.327 -5.998 1 1 799 . 5 1 1 A 67 67 CYS CB C 65 45.235 26.657 18.578 1 1 800 . 5 1 1 A 67 67 CYS N N 65 115.330 119.035 -3.705 1 1 801 . 5 1 1 A 68 68 LEU H H 66 7.559 7.557 0.002 1 1 802 . 5 1 1 A 68 68 LEU HA H 66 4.490 4.016 0.474 1 1 812 . 5 1 1 A 68 68 LEU C C 66 176.812 177.209 -0.397 1 1 813 . 5 1 1 A 68 68 LEU CA C 66 55.366 57.922 -2.556 1 1 814 . 5 1 1 A 68 68 LEU CB C 66 43.278 41.859 1.419 1 1 818 . 5 1 1 A 68 68 LEU N N 66 120.930 120.966 -0.036 1 1 819 . 5 1 1 A 69 69 ASN H H 67 8.265 7.921 0.344 1 1 820 . 5 1 1 A 69 69 ASN HA H 67 4.669 4.940 -0.271 1 1 825 . 5 1 1 A 69 69 ASN CA C 67 53.761 52.214 1.547 1 1 826 . 5 1 1 A 69 69 ASN CB C 67 39.069 39.339 -0.270 1 1 827 . 5 1 1 A 69 69 ASN N N 67 120.279 116.799 3.480 1 1 852 . 5 2 2 B 4 4 GLU H H 102 8.329 7.828 0.501 1 1 853 . 5 2 2 B 4 4 GLU HA H 102 4.282 4.702 -0.420 1 1 858 . 5 2 2 B 4 4 GLU C C 102 177.132 177.038 0.094 1 1 859 . 5 2 2 B 4 4 GLU CA C 102 57.410 54.150 3.260 1 1 861 . 5 2 2 B 4 4 GLU N N 102 121.884 117.623 4.261 1 1 862 . 5 2 2 B 5 5 GLY H H 103 8.335 8.825 -0.490 1 1 863 . 5 2 2 B 5 5 GLY HA2 H 103 3.941 3.935 0.006 1 1 864 . 5 2 2 B 5 5 GLY HA3 H 103 3.941 3.935 0.006 1 1 865 . 5 2 2 B 5 5 GLY C C 103 174.207 175.019 -0.812 1 1 866 . 5 2 2 B 5 5 GLY CA C 103 45.731 47.224 -1.493 1 1 867 . 5 2 2 B 5 5 GLY N N 103 110.055 110.014 0.041 1 1 868 . 5 2 2 B 6 6 ILE H H 104 7.831 8.000 -0.169 1 1 869 . 5 2 2 B 6 6 ILE HA H 104 4.269 3.748 0.521 1 1 879 . 5 2 2 B 6 6 ILE C C 104 176.401 176.227 0.174 1 1 880 . 5 2 2 B 6 6 ILE CA C 104 61.558 64.697 -3.139 1 1 881 . 5 2 2 B 6 6 ILE CB C 104 39.436 38.102 1.334 1 1 885 . 5 2 2 B 6 6 ILE N N 104 119.606 124.193 -4.587 1 1 886 . 5 2 2 B 7 7 SER H H 105 8.324 8.081 0.243 1 1 887 . 5 2 2 B 7 7 SER HA H 105 4.535 4.760 -0.225 1 1 890 . 5 2 2 B 7 7 SER C C 105 174.550 174.249 0.301 1 1 891 . 5 2 2 B 7 7 SER CA C 105 58.667 56.508 2.159 1 1 892 . 5 2 2 B 7 7 SER CB C 105 64.072 64.424 -0.352 1 1 893 . 5 2 2 B 7 7 SER N N 105 119.717 113.923 5.794 1 1 937 . 5 2 2 B 11 11 SER H H 109 8.211 8.635 -0.424 1 1 938 . 5 2 2 B 11 11 SER HA H 109 4.507 4.752 -0.245 1 1 941 . 5 2 2 B 11 11 SER C C 109 174.504 174.085 0.419 1 1 942 . 5 2 2 B 11 11 SER CA C 109 58.919 57.299 1.620 1 1 943 . 5 2 2 B 11 11 SER CB C 109 64.198 65.328 -1.130 1 1 944 . 5 2 2 B 11 11 SER N N 109 117.260 121.737 -4.477 1 1 945 . 5 2 2 B 12 12 ASP H H 110 8.323 9.049 -0.726 1 1 946 . 5 2 2 B 12 12 ASP HA H 110 4.620 4.269 0.351 1 1 949 . 5 2 2 B 12 12 ASP C C 110 176.058 175.286 0.772 1 1 950 . 5 2 2 B 12 12 ASP CA C 110 55.022 54.853 0.169 1 1 951 . 5 2 2 B 12 12 ASP CB C 110 41.825 39.245 2.580 1 1 952 . 5 2 2 B 12 12 ASP N N 110 122.020 125.043 -3.023 1 1 986 . 5 2 2 B 16 16 GLU H H 114 8.378 8.994 -0.616 1 1 987 . 5 2 2 B 16 16 GLU HA H 114 4.268 4.264 0.004 1 1 992 . 5 2 2 B 16 16 GLU C C 114 176.766 175.632 1.134 1 1 993 . 5 2 2 B 16 16 GLU CA C 114 57.410 57.986 -0.576 1 1 994 . 5 2 2 B 16 16 GLU CB C 114 30.620 29.479 1.141 1 1 996 . 5 2 2 B 16 16 GLU N N 114 123.052 124.704 -1.652 1 1 997 . 5 2 2 B 17 17 GLU H H 115 8.326 8.004 0.322 1 1 998 . 5 2 2 B 17 17 GLU HA H 115 4.274 4.343 -0.069 1 1 1003 . 5 2 2 B 17 17 GLU C C 115 176.880 176.278 0.602 1 1 1004 . 5 2 2 B 17 17 GLU CA C 115 57.410 57.391 0.019 1 1 1005 . 5 2 2 B 17 17 GLU CB C 115 30.525 30.351 0.174 1 1 1007 . 5 2 2 B 17 17 GLU N N 115 121.688 121.774 -0.086 1 1 1008 . 5 2 2 B 18 18 MET H H 116 8.309 8.810 -0.501 1 1 1009 . 5 2 2 B 18 18 MET HA H 116 4.473 4.604 -0.131 1 1 1014 . 5 2 2 B 18 18 MET C C 116 177.086 176.019 1.067 1 1 1015 . 5 2 2 B 18 18 MET CA C 116 56.279 57.043 -0.764 1 1 1016 . 5 2 2 B 18 18 MET CB C 116 33.026 35.498 -2.472 1 1 1017 . 5 2 2 B 18 18 MET N N 116 121.270 124.525 -3.255 1 1 1018 . 5 2 2 B 19 19 GLY H H 117 8.335 7.928 0.407 1 1 1019 . 5 2 2 B 19 19 GLY HA2 H 117 4.054 4.035 0.019 1 1 1020 . 5 2 2 B 19 19 GLY HA3 H 117 4.054 4.035 0.019 1 1 1021 . 5 2 2 B 19 19 GLY C C 117 174.481 174.584 -0.103 1 1 1022 . 5 2 2 B 19 19 GLY CA C 117 45.847 44.481 1.366 1 1 1023 . 5 2 2 B 19 19 GLY N N 117 110.055 107.276 2.779 1 1 1024 . 5 2 2 B 20 20 SER H H 118 8.230 8.799 -0.569 1 1 1025 . 5 2 2 B 20 20 SER HA H 118 4.476 4.493 -0.017 1 1 1028 . 5 2 2 B 20 20 SER C C 118 175.327 174.951 0.376 1 1 1029 . 5 2 2 B 20 20 SER CA C 118 58.919 59.527 -0.608 1 1 1030 . 5 2 2 B 20 20 SER CB C 118 64.575 64.789 -0.214 1 1 1031 . 5 2 2 B 20 20 SER N N 118 115.664 118.230 -2.566 1 1 1032 . 5 2 2 B 21 21 GLY H H 119 8.354 8.727 -0.373 1 1 1033 . 5 2 2 B 21 21 GLY HA2 H 119 3.941 3.970 -0.029 1 1 1034 . 5 2 2 B 21 21 GLY HA3 H 119 3.941 3.971 -0.030 1 1 1035 . 5 2 2 B 21 21 GLY C C 119 174.002 173.135 0.867 1 1 1036 . 5 2 2 B 21 21 GLY CA C 119 45.721 46.315 -0.594 1 1 1037 . 5 2 2 B 21 21 GLY N N 119 110.872 108.507 2.365 1 1 1068 . 5 2 2 B 25 25 SER H H 123 8.155 8.239 -0.084 1 1 1069 . 5 2 2 B 25 25 SER HA H 123 4.391 4.058 0.333 1 1 1072 . 5 2 2 B 25 25 SER C C 123 175.075 173.514 1.561 1 1 1073 . 5 2 2 B 25 25 SER CA C 123 59.347 59.458 -0.111 1 1 1074 . 5 2 2 B 25 25 SER CB C 123 63.879 62.410 1.469 1 1 1075 . 5 2 2 B 25 25 SER N N 123 116.126 114.260 1.866 1 1 1076 . 5 2 2 B 26 26 MET H H 124 8.221 7.964 0.257 1 1 1077 . 5 2 2 B 26 26 MET HA H 124 4.476 4.687 -0.211 1 1 1082 . 5 2 2 B 26 26 MET C C 124 176.355 174.106 2.249 1 1 1083 . 5 2 2 B 26 26 MET CA C 124 56.279 55.218 1.061 1 1 1084 . 5 2 2 B 26 26 MET CB C 124 32.900 33.408 -0.508 1 1 1086 . 5 2 2 B 26 26 MET N N 124 121.210 118.964 2.246 1 1 1087 . 5 2 2 B 27 27 LYS H H 125 8.025 8.678 -0.653 1 1 1088 . 5 2 2 B 27 27 LYS HA H 125 4.312 4.967 -0.655 1 1 1097 . 5 2 2 B 27 27 LYS C C 125 176.355 175.116 1.239 1 1 1098 . 5 2 2 B 27 27 LYS CA C 125 56.656 54.315 2.341 1 1 1099 . 5 2 2 B 27 27 LYS CB C 125 33.529 36.994 -3.465 1 1 1103 . 5 2 2 B 27 27 LYS N N 125 121.457 126.283 -4.826 1 1 1104 . 5 2 2 B 28 28 GLU H H 126 8.222 8.949 -0.727 1 1 1105 . 5 2 2 B 28 28 GLU N N 126 122.740 118.141 4.599 1 1 1106 . 5 2 2 B 29 29 PRO HA H 127 4.355 4.505 -0.150 1 1 1113 . 5 2 2 B 29 29 PRO C C 127 176.812 175.957 0.855 1 1 1114 . 5 2 2 B 29 29 PRO CA C 127 63.821 62.859 0.962 1 1 1115 . 5 2 2 B 29 29 PRO CB C 127 32.272 32.114 0.158 1 1 1118 . 5 2 2 B 30 30 ALA H H 128 8.267 8.359 -0.092 1 1 1119 . 5 2 2 B 30 30 ALA HA H 128 4.269 4.630 -0.361 1 1 1123 . 5 2 2 B 30 30 ALA C C 128 177.589 176.344 1.245 1 1 1124 . 5 2 2 B 30 30 ALA CA C 128 52.873 51.046 1.827 1 1 1125 . 5 2 2 B 30 30 ALA CB C 128 19.703 19.291 0.412 1 1 1126 . 5 2 2 B 30 30 ALA N N 128 123.577 125.724 -2.147 1 1 1127 . 5 2 2 B 31 31 PHE H H 129 8.019 8.983 -0.964 1 1 1128 . 5 2 2 B 31 31 PHE HA H 129 4.621 4.936 -0.315 1 1 1136 . 5 2 2 B 31 31 PHE C C 129 175.624 175.330 0.294 1 1 1137 . 5 2 2 B 31 31 PHE CA C 129 58.039 57.833 0.206 1 1 1138 . 5 2 2 B 31 31 PHE CB C 129 40.055 41.426 -1.371 1 1 1142 . 5 2 2 B 31 31 PHE N N 129 118.994 126.283 -7.289 1 1 1143 . 5 2 2 B 32 32 ARG H H 130 8.029 7.932 0.097 1 1 1144 . 5 2 2 B 32 32 ARG HA H 130 4.309 3.589 0.720 1 1 1151 . 5 2 2 B 32 32 ARG C C 130 175.875 175.317 0.558 1 1 1152 . 5 2 2 B 32 32 ARG CA C 130 56.154 57.258 -1.104 1 1 1153 . 5 2 2 B 32 32 ARG CB C 130 31.643 27.742 3.901 1 1 1156 . 5 2 2 B 32 32 ARG N N 130 122.929 120.708 2.221 1 1 1157 . 5 2 2 B 33 33 GLU H H 131 8.374 7.851 0.523 1 1 1158 . 5 2 2 B 33 33 GLU HA H 131 4.276 4.438 -0.162 1 1 1163 . 5 2 2 B 33 33 GLU C C 131 176.766 176.382 0.384 1 1 1164 . 5 2 2 B 33 33 GLU CA C 131 57.285 55.880 1.405 1 1 1165 . 5 2 2 B 33 33 GLU CB C 131 30.512 30.865 -0.353 1 1 1167 . 5 2 2 B 33 33 GLU N N 131 122.719 118.452 4.267 1 1 1168 . 5 2 2 B 34 34 GLU H H 132 8.509 8.666 -0.157 1 1 1169 . 5 2 2 B 34 34 GLU HA H 132 4.271 4.406 -0.135 1 1 1174 . 5 2 2 B 34 34 GLU C C 132 176.560 176.385 0.175 1 1 1175 . 5 2 2 B 34 34 GLU CA C 132 57.400 56.648 0.752 1 1 1176 . 5 2 2 B 34 34 GLU CB C 132 30.530 30.194 0.336 1 1 1178 . 5 2 2 B 34 34 GLU N N 132 122.122 121.333 0.789 1 1 1179 . 5 2 2 B 35 35 ASN H H 133 8.362 8.664 -0.302 1 1 1180 . 5 2 2 B 35 35 ASN HA H 133 4.693 4.900 -0.207 1 1 1183 . 5 2 2 B 35 35 ASN C C 133 175.258 174.090 1.168 1 1 1184 . 5 2 2 B 35 35 ASN CA C 133 53.765 52.931 0.834 1 1 1185 . 5 2 2 B 35 35 ASN CB C 133 39.562 36.984 2.578 1 1 1186 . 5 2 2 B 35 35 ASN N N 133 119.552 122.654 -3.102 1 1 1187 . 5 2 2 B 36 36 ALA H H 134 8.155 8.076 0.079 1 1 1188 . 5 2 2 B 36 36 ALA HA H 134 4.265 4.500 -0.235 1 1 1192 . 5 2 2 B 36 36 ALA C C 134 177.520 176.007 1.513 1 1 1193 . 5 2 2 B 36 36 ALA CA C 134 52.873 51.185 1.688 1 1 1194 . 5 2 2 B 36 36 ALA CB C 134 19.703 22.228 -2.525 1 1 1195 . 5 2 2 B 36 36 ALA N N 134 124.376 126.036 -1.660 1 1 1196 . 5 2 2 B 37 37 ASN H H 135 8.210 8.846 -0.636 1 1 1197 . 5 2 2 B 37 37 ASN HA H 135 4.688 4.773 -0.085 1 1 1200 . 5 2 2 B 37 37 ASN C C 135 175.144 175.850 -0.706 1 1 1201 . 5 2 2 B 37 37 ASN CA C 135 53.640 53.795 -0.155 1 1 1202 . 5 2 2 B 37 37 ASN CB C 135 39.311 39.796 -0.485 1 1 1203 . 5 2 2 B 37 37 ASN N N 135 117.103 117.160 -0.057 1 1 1204 . 5 2 2 B 38 38 PHE H H 136 7.997 7.778 0.219 1 1 1205 . 5 2 2 B 38 38 PHE HA H 136 4.623 4.519 0.104 1 1 1212 . 5 2 2 B 38 38 PHE C C 136 175.601 174.277 1.324 1 1 1213 . 5 2 2 B 38 38 PHE CA C 136 58.165 59.721 -1.556 1 1 1214 . 5 2 2 B 38 38 PHE CB C 136 39.939 37.773 2.166 1 1 1217 . 5 2 2 B 38 38 PHE N N 136 120.229 116.972 3.257 1 1 1218 . 5 2 2 B 39 39 ASN H H 137 8.272 8.960 -0.688 1 1 1219 . 5 2 2 B 39 39 ASN HA H 137 4.702 4.957 -0.255 1 1 1222 . 5 2 2 B 39 39 ASN C C 137 174.047 174.061 -0.014 1 1 1223 . 5 2 2 B 39 39 ASN CA C 137 53.891 52.560 1.331 1 1 1224 . 5 2 2 B 39 39 ASN CB C 137 39.688 37.053 2.635 1 1 1225 . 5 2 2 B 39 39 ASN N N 137 120.594 121.528 -0.934 1 1 3 . 6 1 1 A 4 4 PRO HA H 2 4.510 4.712 -0.202 1 1 10 . 6 1 1 A 4 4 PRO C C 2 177.132 175.296 1.836 1 1 11 . 6 1 1 A 4 4 PRO CA C 2 63.529 62.670 0.859 1 1 12 . 6 1 1 A 4 4 PRO CB C 2 32.476 31.692 0.784 1 1 15 . 6 1 1 A 5 5 VAL H H 3 8.201 8.451 -0.250 1 1 16 . 6 1 1 A 5 5 VAL HA H 3 4.140 4.676 -0.536 1 1 24 . 6 1 1 A 5 5 VAL C C 3 176.423 175.109 1.314 1 1 25 . 6 1 1 A 5 5 VAL CA C 3 62.873 59.615 3.258 1 1 26 . 6 1 1 A 5 5 VAL CB C 3 33.455 34.274 -0.819 1 1 28 . 6 1 1 A 5 5 VAL N N 3 120.488 123.862 -3.374 1 1 29 . 6 1 1 A 6 6 SER H H 4 8.276 8.899 -0.623 1 1 30 . 6 1 1 A 6 6 SER HA H 4 4.487 5.147 -0.660 1 1 33 . 6 1 1 A 6 6 SER C C 4 174.687 173.821 0.866 1 1 34 . 6 1 1 A 6 6 SER CA C 4 58.375 56.788 1.587 1 1 35 . 6 1 1 A 6 6 SER CB C 4 64.295 64.744 -0.449 1 1 36 . 6 1 1 A 6 6 SER N N 4 119.000 122.404 -3.404 1 1 37 . 6 1 1 A 7 7 LEU H H 5 8.238 8.912 -0.674 1 1 38 . 6 1 1 A 7 7 LEU HA H 5 4.397 5.182 -0.785 1 1 44 . 6 1 1 A 7 7 LEU C C 5 177.406 175.717 1.689 1 1 45 . 6 1 1 A 7 7 LEU CA C 5 55.766 53.617 2.149 1 1 46 . 6 1 1 A 7 7 LEU CB C 5 43.132 43.964 -0.832 1 1 48 . 6 1 1 A 7 7 LEU N N 5 124.704 121.864 2.840 1 1 49 . 6 1 1 A 8 8 SER H H 6 8.148 8.741 -0.593 1 1 50 . 6 1 1 A 8 8 SER HA H 6 4.438 4.734 -0.296 1 1 53 . 6 1 1 A 8 8 SER C C 6 174.321 172.682 1.639 1 1 54 . 6 1 1 A 8 8 SER CA C 6 58.718 57.555 1.163 1 1 55 . 6 1 1 A 8 8 SER CB C 6 64.295 66.879 -2.584 1 1 56 . 6 1 1 A 8 8 SER N N 6 115.960 118.205 -2.245 1 1 57 . 6 1 1 A 9 9 TYR H H 7 7.915 8.554 -0.639 1 1 58 . 6 1 1 A 9 9 TYR HA H 7 4.585 4.659 -0.074 1 1 65 . 6 1 1 A 9 9 TYR C C 7 175.532 176.068 -0.536 1 1 66 . 6 1 1 A 9 9 TYR CA C 7 58.335 58.490 -0.155 1 1 67 . 6 1 1 A 9 9 TYR CB C 7 39.474 38.064 1.410 1 1 70 . 6 1 1 A 9 9 TYR N N 7 121.884 121.789 0.095 1 1 71 . 6 1 1 A 10 10 ARG H H 8 8.117 8.369 -0.252 1 1 72 . 6 1 1 A 10 10 ARG HA H 8 4.337 4.933 -0.596 1 1 79 . 6 1 1 A 10 10 ARG C C 8 175.898 174.825 1.073 1 1 80 . 6 1 1 A 10 10 ARG CA C 8 56.048 54.013 2.035 1 1 81 . 6 1 1 A 10 10 ARG CB C 8 31.492 33.746 -2.254 1 1 84 . 6 1 1 A 10 10 ARG N N 8 121.977 123.298 -1.321 1 1 85 . 6 1 1 A 11 11 CYS H H 9 8.127 8.644 -0.517 1 1 86 . 6 1 1 A 11 11 CYS HA H 9 4.984 5.003 -0.019 1 1 89 . 6 1 1 A 11 11 CYS C C 9 177.771 173.678 4.093 1 1 90 . 6 1 1 A 11 11 CYS CA C 9 53.192 54.879 -1.687 1 1 91 . 6 1 1 A 11 11 CYS CB C 9 40.897 42.899 -2.002 1 1 92 . 6 1 1 A 11 11 CYS N N 9 121.209 120.172 1.037 1 1 93 . 6 1 1 A 12 12 PRO HA H 10 4.321 4.334 -0.013 1 1 100 . 6 1 1 A 12 12 PRO CA C 10 65.478 65.543 -0.065 1 1 101 . 6 1 1 A 12 12 PRO CB C 10 32.904 31.354 1.550 1 1 104 . 6 1 1 A 13 13 CYS H H 11 8.633 8.178 0.455 1 1 105 . 6 1 1 A 13 13 CYS C C 11 174.618 173.902 0.716 1 1 106 . 6 1 1 A 13 13 CYS N N 11 114.595 116.608 -2.013 1 1 107 . 6 1 1 A 14 14 ARG H H 12 8.236 9.013 -0.777 1 1 108 . 6 1 1 A 14 14 ARG HA H 12 4.067 4.201 -0.134 1 1 115 . 6 1 1 A 14 14 ARG C C 12 175.098 175.250 -0.152 1 1 116 . 6 1 1 A 14 14 ARG CA C 12 57.370 57.336 0.034 1 1 117 . 6 1 1 A 14 14 ARG CB C 12 31.631 31.573 0.058 1 1 120 . 6 1 1 A 14 14 ARG N N 12 122.779 125.378 -2.599 1 1 121 . 6 1 1 A 15 15 PHE H H 13 7.571 7.721 -0.150 1 1 122 . 6 1 1 A 15 15 PHE HA H 13 4.510 5.036 -0.526 1 1 129 . 6 1 1 A 15 15 PHE C C 13 174.162 174.625 -0.463 1 1 130 . 6 1 1 A 15 15 PHE CA C 13 56.289 56.220 0.069 1 1 131 . 6 1 1 A 15 15 PHE CB C 13 41.320 43.220 -1.900 1 1 134 . 6 1 1 A 15 15 PHE N N 13 116.797 116.046 0.751 1 1 135 . 6 1 1 A 16 16 PHE H H 14 8.084 8.709 -0.625 1 1 136 . 6 1 1 A 16 16 PHE HA H 14 4.767 5.629 -0.862 1 1 143 . 6 1 1 A 16 16 PHE C C 14 175.441 174.053 1.388 1 1 144 . 6 1 1 A 16 16 PHE CA C 14 55.767 55.243 0.524 1 1 145 . 6 1 1 A 16 16 PHE CB C 14 41.320 42.445 -1.125 1 1 148 . 6 1 1 A 16 16 PHE N N 14 118.930 118.151 0.779 1 1 149 . 6 1 1 A 17 17 GLU H H 15 8.815 9.841 -1.026 1 1 150 . 6 1 1 A 17 17 GLU HA H 15 4.579 4.376 0.203 1 1 155 . 6 1 1 A 17 17 GLU C C 15 176.857 176.445 0.412 1 1 156 . 6 1 1 A 17 17 GLU CA C 15 56.289 57.486 -1.197 1 1 157 . 6 1 1 A 17 17 GLU CB C 15 31.173 30.331 0.842 1 1 159 . 6 1 1 A 17 17 GLU N N 15 122.929 123.398 -0.469 1 1 160 . 6 1 1 A 18 18 SER H H 16 8.751 9.059 -0.308 1 1 161 . 6 1 1 A 18 18 SER HA H 16 4.762 4.780 -0.018 1 1 164 . 6 1 1 A 18 18 SER C C 16 177.497 173.792 3.705 1 1 165 . 6 1 1 A 18 18 SER CA C 16 59.328 57.776 1.552 1 1 166 . 6 1 1 A 18 18 SER CB C 16 64.515 64.933 -0.418 1 1 167 . 6 1 1 A 18 18 SER N N 16 118.860 118.421 0.439 1 1 168 . 6 1 1 A 19 19 HIS H H 17 8.761 7.645 1.116 1 1 169 . 6 1 1 A 19 19 HIS HA H 17 4.832 5.039 -0.207 1 1 174 . 6 1 1 A 19 19 HIS C C 17 174.618 173.849 0.769 1 1 175 . 6 1 1 A 19 19 HIS CA C 17 56.449 54.086 2.363 1 1 176 . 6 1 1 A 19 19 HIS CB C 17 30.214 29.838 0.376 1 1 179 . 6 1 1 A 19 19 HIS N N 17 120.535 119.922 0.613 1 1 180 . 6 1 1 A 20 20 VAL H H 18 7.085 8.927 -1.842 1 1 181 . 6 1 1 A 20 20 VAL HA H 18 4.160 4.696 -0.536 1 1 189 . 6 1 1 A 20 20 VAL C C 18 174.436 174.350 0.086 1 1 190 . 6 1 1 A 20 20 VAL CA C 18 62.167 60.365 1.802 1 1 191 . 6 1 1 A 20 20 VAL CB C 18 34.426 35.643 -1.217 1 1 193 . 6 1 1 A 20 20 VAL N N 18 120.872 123.546 -2.674 1 1 194 . 6 1 1 A 21 21 ALA H H 19 8.521 8.593 -0.072 1 1 195 . 6 1 1 A 21 21 ALA HA H 19 4.367 4.287 0.080 1 1 199 . 6 1 1 A 21 21 ALA C C 19 177.657 177.817 -0.160 1 1 200 . 6 1 1 A 21 21 ALA CA C 19 51.193 51.164 0.029 1 1 201 . 6 1 1 A 21 21 ALA CB C 19 19.790 19.860 -0.070 1 1 202 . 6 1 1 A 21 21 ALA N N 19 131.339 127.073 4.266 1 1 203 . 6 1 1 A 22 22 ARG H H 20 7.790 8.126 -0.336 1 1 204 . 6 1 1 A 22 22 ARG HA H 20 2.451 2.674 -0.223 1 1 211 . 6 1 1 A 22 22 ARG C C 20 178.365 177.132 1.233 1 1 212 . 6 1 1 A 22 22 ARG CA C 20 59.379 58.632 0.747 1 1 213 . 6 1 1 A 22 22 ARG CB C 20 29.572 29.307 0.265 1 1 216 . 6 1 1 A 22 22 ARG N N 20 124.365 123.841 0.524 1 1 217 . 6 1 1 A 23 23 ALA H H 21 8.120 7.517 0.603 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 21 178.000 177.951 0.049 1 1 223 . 6 1 1 A 23 23 ALA CA C 21 54.100 53.179 0.921 1 1 224 . 6 1 1 A 23 23 ALA CB C 21 18.713 18.716 -0.003 1 1 225 . 6 1 1 A 23 23 ALA N N 21 117.156 120.479 -3.323 1 1 226 . 6 1 1 A 24 24 ASN H H 22 7.707 7.815 -0.108 1 1 227 . 6 1 1 A 24 24 ASN HA H 22 5.010 4.775 0.235 1 1 232 . 6 1 1 A 24 24 ASN C C 22 174.938 174.844 0.094 1 1 233 . 6 1 1 A 24 24 ASN CA C 22 52.869 52.821 0.048 1 1 234 . 6 1 1 A 24 24 ASN CB C 22 40.573 38.945 1.628 1 1 235 . 6 1 1 A 24 24 ASN N N 22 112.819 115.183 -2.364 1 1 237 . 6 1 1 A 25 25 VAL H H 23 7.489 7.413 0.076 1 1 238 . 6 1 1 A 25 25 VAL HA H 23 4.888 4.212 0.676 1 1 246 . 6 1 1 A 25 25 VAL C C 23 175.829 175.489 0.340 1 1 247 . 6 1 1 A 25 25 VAL CA C 23 59.870 60.931 -1.061 1 1 248 . 6 1 1 A 25 25 VAL CB C 23 35.396 33.148 2.248 1 1 251 . 6 1 1 A 25 25 VAL N N 23 119.721 117.484 2.237 1 1 252 . 6 1 1 A 26 26 LYS H H 24 9.480 9.497 -0.017 1 1 253 . 6 1 1 A 26 26 LYS HA H 24 4.353 4.310 0.043 1 1 262 . 6 1 1 A 26 26 LYS C C 24 176.606 176.287 0.319 1 1 263 . 6 1 1 A 26 26 LYS CA C 24 58.977 57.676 1.301 1 1 264 . 6 1 1 A 26 26 LYS CB C 24 34.567 33.957 0.610 1 1 268 . 6 1 1 A 26 26 LYS N N 24 127.843 124.501 3.342 1 1 269 . 6 1 1 A 27 27 HIS H H 25 7.237 7.211 0.026 1 1 270 . 6 1 1 A 27 27 HIS HA H 25 4.979 4.925 0.054 1 1 275 . 6 1 1 A 27 27 HIS C C 25 178.434 172.550 5.884 1 1 276 . 6 1 1 A 27 27 HIS CA C 25 55.406 54.747 0.659 1 1 277 . 6 1 1 A 27 27 HIS CB C 25 32.480 31.144 1.336 1 1 280 . 6 1 1 A 27 27 HIS N N 25 109.556 112.197 -2.641 1 1 281 . 6 1 1 A 28 28 LEU H H 26 8.189 8.863 -0.674 1 1 282 . 6 1 1 A 28 28 LEU HA H 26 5.190 5.065 0.125 1 1 292 . 6 1 1 A 28 28 LEU C C 26 175.510 175.075 0.435 1 1 293 . 6 1 1 A 28 28 LEU CA C 26 53.480 53.178 0.302 1 1 294 . 6 1 1 A 28 28 LEU CB C 26 45.235 44.451 0.784 1 1 298 . 6 1 1 A 28 28 LEU N N 26 117.260 119.866 -2.606 1 1 299 . 6 1 1 A 29 29 LYS H H 27 9.572 9.582 -0.010 1 1 300 . 6 1 1 A 29 29 LYS HA H 27 5.372 5.217 0.155 1 1 309 . 6 1 1 A 29 29 LYS C C 27 174.801 174.719 0.082 1 1 310 . 6 1 1 A 29 29 LYS CA C 27 55.165 54.756 0.409 1 1 311 . 6 1 1 A 29 29 LYS CB C 27 35.253 35.384 -0.131 1 1 315 . 6 1 1 A 29 29 LYS N N 27 123.488 125.668 -2.180 1 1 316 . 6 1 1 A 30 30 ILE H H 28 9.136 9.025 0.111 1 1 317 . 6 1 1 A 30 30 ILE HA H 28 4.924 5.289 -0.365 1 1 327 . 6 1 1 A 30 30 ILE C C 28 176.949 175.221 1.728 1 1 328 . 6 1 1 A 30 30 ILE CA C 28 60.542 59.522 1.020 1 1 329 . 6 1 1 A 30 30 ILE CB C 28 39.600 38.489 1.111 1 1 333 . 6 1 1 A 30 30 ILE N N 28 123.846 128.518 -4.672 1 1 334 . 6 1 1 A 31 31 LEU H H 29 8.805 9.213 -0.408 1 1 335 . 6 1 1 A 31 31 LEU HA H 29 4.535 5.220 -0.685 1 1 344 . 6 1 1 A 31 31 LEU C C 29 176.012 175.074 0.938 1 1 345 . 6 1 1 A 31 31 LEU CA C 29 55.366 53.522 1.844 1 1 346 . 6 1 1 A 31 31 LEU CB C 29 43.180 45.194 -2.014 1 1 349 . 6 1 1 A 31 31 LEU N N 29 128.649 128.056 0.593 1 1 350 . 6 1 1 A 32 32 ASN H H 30 8.216 8.869 -0.653 1 1 351 . 6 1 1 A 32 32 ASN HA H 30 5.005 5.365 -0.360 1 1 356 . 6 1 1 A 32 32 ASN C C 30 174.664 174.089 0.575 1 1 357 . 6 1 1 A 32 32 ASN CA C 30 52.517 51.794 0.723 1 1 358 . 6 1 1 A 32 32 ASN CB C 30 38.776 41.244 -2.468 1 1 359 . 6 1 1 A 32 32 ASN N N 30 120.791 122.620 -1.829 1 1 361 . 6 1 1 A 33 33 THR H H 31 7.883 8.536 -0.653 1 1 362 . 6 1 1 A 33 33 THR HA H 31 4.842 4.951 -0.109 1 1 367 . 6 1 1 A 33 33 THR CA C 31 58.369 58.723 -0.354 1 1 368 . 6 1 1 A 33 33 THR CB C 31 70.018 70.200 -0.182 1 1 370 . 6 1 1 A 33 33 THR N N 31 115.811 117.552 -1.741 1 1 371 . 6 1 1 A 34 34 PRO HA H 32 4.317 4.244 0.073 1 1 378 . 6 1 1 A 34 34 PRO CA C 32 65.164 65.837 -0.673 1 1 379 . 6 1 1 A 34 34 PRO CB C 32 32.484 31.590 0.894 1 1 382 . 6 1 1 A 35 35 ASN H H 33 8.259 8.204 0.055 1 1 383 . 6 1 1 A 35 35 ASN HA H 33 4.651 4.930 -0.279 1 1 388 . 6 1 1 A 35 35 ASN C C 33 174.710 174.639 0.071 1 1 389 . 6 1 1 A 35 35 ASN CA C 33 54.532 52.261 2.271 1 1 390 . 6 1 1 A 35 35 ASN CB C 33 39.167 38.633 0.534 1 1 391 . 6 1 1 A 35 35 ASN N N 33 120.081 112.881 7.200 1 1 393 . 6 1 1 A 36 36 CYS H H 34 7.569 7.627 -0.058 1 1 394 . 6 1 1 A 36 36 CYS HA H 34 4.675 4.949 -0.274 1 1 397 . 6 1 1 A 36 36 CYS C C 34 173.865 173.372 0.493 1 1 398 . 6 1 1 A 36 36 CYS CA C 34 55.447 54.651 0.796 1 1 399 . 6 1 1 A 36 36 CYS CB C 34 45.228 47.266 -2.038 1 1 400 . 6 1 1 A 36 36 CYS N N 34 117.076 117.248 -0.172 1 1 401 . 6 1 1 A 37 37 ALA H H 35 8.472 8.620 -0.148 1 1 402 . 6 1 1 A 37 37 ALA HA H 35 4.223 4.368 -0.145 1 1 406 . 6 1 1 A 37 37 ALA C C 35 176.423 176.950 -0.527 1 1 407 . 6 1 1 A 37 37 ALA CA C 35 53.537 51.068 2.469 1 1 408 . 6 1 1 A 37 37 ALA CB C 35 19.202 20.005 -0.803 1 1 409 . 6 1 1 A 37 37 ALA N N 35 125.153 124.991 0.162 1 1 410 . 6 1 1 A 38 38 CYS H H 36 8.316 8.356 -0.040 1 1 411 . 6 1 1 A 38 38 CYS HA H 36 4.196 4.351 -0.155 1 1 414 . 6 1 1 A 38 38 CYS C C 36 173.705 173.732 -0.027 1 1 415 . 6 1 1 A 38 38 CYS CA C 36 58.616 59.559 -0.943 1 1 416 . 6 1 1 A 38 38 CYS CB C 36 45.705 27.846 17.859 1 1 417 . 6 1 1 A 38 38 CYS N N 36 118.837 117.610 1.227 1 1 418 . 6 1 1 A 39 39 GLN H H 37 8.928 8.437 0.491 1 1 419 . 6 1 1 A 39 39 GLN HA H 37 4.596 4.780 -0.184 1 1 426 . 6 1 1 A 39 39 GLN C C 37 173.636 174.145 -0.509 1 1 427 . 6 1 1 A 39 39 GLN CA C 37 54.603 53.922 0.681 1 1 428 . 6 1 1 A 39 39 GLN CB C 37 31.761 32.228 -0.467 1 1 430 . 6 1 1 A 39 39 GLN N N 37 128.567 126.448 2.119 1 1 432 . 6 1 1 A 40 40 ILE H H 38 8.851 8.802 0.049 1 1 433 . 6 1 1 A 40 40 ILE HA H 38 5.087 4.653 0.434 1 1 443 . 6 1 1 A 40 40 ILE C C 38 174.390 174.935 -0.545 1 1 444 . 6 1 1 A 40 40 ILE CA C 38 60.582 59.655 0.927 1 1 445 . 6 1 1 A 40 40 ILE CB C 38 40.048 38.551 1.497 1 1 449 . 6 1 1 A 40 40 ILE N N 38 123.962 127.900 -3.938 1 1 450 . 6 1 1 A 41 41 VAL H H 39 9.090 9.364 -0.274 1 1 451 . 6 1 1 A 41 41 VAL HA H 39 4.822 4.776 0.046 1 1 459 . 6 1 1 A 41 41 VAL C C 39 175.487 175.075 0.412 1 1 460 . 6 1 1 A 41 41 VAL CA C 39 59.980 61.274 -1.294 1 1 461 . 6 1 1 A 41 41 VAL CB C 39 35.868 33.284 2.584 1 1 464 . 6 1 1 A 41 41 VAL N N 39 126.354 129.256 -2.902 1 1 465 . 6 1 1 A 42 42 ALA H H 40 9.513 9.371 0.142 1 1 466 . 6 1 1 A 42 42 ALA HA H 40 5.137 5.269 -0.132 1 1 470 . 6 1 1 A 42 42 ALA C C 40 175.944 175.582 0.362 1 1 471 . 6 1 1 A 42 42 ALA CA C 40 50.591 50.351 0.240 1 1 472 . 6 1 1 A 42 42 ALA CB C 40 22.432 22.427 0.005 1 1 473 . 6 1 1 A 42 42 ALA N N 40 128.406 129.212 -0.806 1 1 474 . 6 1 1 A 43 43 ARG H H 41 7.720 8.016 -0.296 1 1 475 . 6 1 1 A 43 43 ARG HA H 41 4.959 4.728 0.231 1 1 482 . 6 1 1 A 43 43 ARG C C 41 175.510 176.154 -0.644 1 1 483 . 6 1 1 A 43 43 ARG CA C 41 54.162 55.119 -0.957 1 1 484 . 6 1 1 A 43 43 ARG CB C 41 31.200 31.926 -0.726 1 1 487 . 6 1 1 A 43 43 ARG N N 41 121.795 122.699 -0.904 1 1 488 . 6 1 1 A 44 44 LEU H H 42 9.164 8.644 0.520 1 1 489 . 6 1 1 A 44 44 LEU HA H 42 5.021 4.265 0.756 1 1 499 . 6 1 1 A 44 44 LEU C C 42 177.840 177.516 0.324 1 1 500 . 6 1 1 A 44 44 LEU CA C 42 54.724 54.823 -0.099 1 1 501 . 6 1 1 A 44 44 LEU CB C 42 41.712 42.097 -0.385 1 1 505 . 6 1 1 A 44 44 LEU N N 42 129.087 123.724 5.363 1 1 506 . 6 1 1 A 45 45 LYS H H 43 8.396 8.280 0.116 1 1 507 . 6 1 1 A 45 45 LYS HA H 43 3.950 4.146 -0.196 1 1 516 . 6 1 1 A 45 45 LYS CA C 43 59.016 57.381 1.635 1 1 517 . 6 1 1 A 45 45 LYS CB C 43 34.102 32.943 1.159 1 1 520 . 6 1 1 A 45 45 LYS N N 43 119.674 121.165 -1.491 1 1 521 . 6 1 1 A 48 48 ASN HA H 46 4.709 5.095 -0.386 1 1 526 . 6 1 1 A 48 48 ASN C C 46 175.098 174.562 0.536 1 1 527 . 6 1 1 A 48 48 ASN CA C 46 54.764 52.144 2.620 1 1 528 . 6 1 1 A 48 48 ASN CB C 46 39.265 40.416 -1.151 1 1 530 . 6 1 1 A 49 49 ARG H H 47 7.923 8.721 -0.798 1 1 531 . 6 1 1 A 49 49 ARG HA H 47 4.368 4.906 -0.538 1 1 538 . 6 1 1 A 49 49 ARG C C 47 175.601 175.301 0.300 1 1 539 . 6 1 1 A 49 49 ARG CA C 47 57.051 53.918 3.133 1 1 540 . 6 1 1 A 49 49 ARG CB C 47 32.121 31.883 0.238 1 1 543 . 6 1 1 A 49 49 ARG N N 47 119.826 118.048 1.778 1 1 544 . 6 1 1 A 50 50 GLN H H 48 8.547 8.445 0.102 1 1 545 . 6 1 1 A 50 50 GLN HA H 48 5.441 4.941 0.500 1 1 552 . 6 1 1 A 50 50 GLN C C 48 175.578 175.282 0.296 1 1 553 . 6 1 1 A 50 50 GLN CA C 48 55.125 55.072 0.053 1 1 554 . 6 1 1 A 50 50 GLN CB C 48 32.121 30.177 1.944 1 1 556 . 6 1 1 A 50 50 GLN N N 48 120.767 116.318 4.449 1 1 558 . 6 1 1 A 51 51 VAL H H 49 8.630 9.364 -0.734 1 1 559 . 6 1 1 A 51 51 VAL HA H 49 4.826 4.948 -0.122 1 1 567 . 6 1 1 A 51 51 VAL C C 49 175.258 174.073 1.185 1 1 568 . 6 1 1 A 51 51 VAL CA C 49 59.338 58.962 0.376 1 1 569 . 6 1 1 A 51 51 VAL CB C 49 36.155 35.240 0.915 1 1 572 . 6 1 1 A 51 51 VAL N N 49 116.678 117.494 -0.816 1 1 573 . 6 1 1 A 52 52 CYS H H 50 9.095 8.945 0.150 1 1 574 . 6 1 1 A 52 52 CYS HA H 50 5.278 5.358 -0.080 1 1 577 . 6 1 1 A 52 52 CYS C C 50 174.527 172.782 1.745 1 1 578 . 6 1 1 A 52 52 CYS CA C 50 58.054 54.548 3.506 1 1 579 . 6 1 1 A 52 52 CYS CB C 50 43.162 43.599 -0.437 1 1 580 . 6 1 1 A 52 52 CYS N N 50 124.549 119.715 4.834 1 1 581 . 6 1 1 A 53 53 ILE H H 51 8.485 9.699 -1.214 1 1 582 . 6 1 1 A 53 53 ILE HA H 51 4.973 4.685 0.288 1 1 592 . 6 1 1 A 53 53 ILE C C 51 173.019 175.151 -2.132 1 1 593 . 6 1 1 A 53 53 ILE CA C 51 58.897 60.116 -1.219 1 1 594 . 6 1 1 A 53 53 ILE CB C 51 42.201 40.750 1.451 1 1 598 . 6 1 1 A 53 53 ILE N N 51 122.581 125.778 -3.197 1 1 599 . 6 1 1 A 54 54 ASP H H 52 7.661 8.752 -1.091 1 1 600 . 6 1 1 A 54 54 ASP HA H 52 3.611 4.662 -1.051 1 1 603 . 6 1 1 A 54 54 ASP CA C 52 51.574 51.807 -0.233 1 1 604 . 6 1 1 A 54 54 ASP CB C 52 42.515 41.699 0.816 1 1 605 . 6 1 1 A 54 54 ASP N N 52 125.772 127.275 -1.503 1 1 606 . 6 1 1 A 55 55 PRO HA H 53 4.010 4.305 -0.295 1 1 613 . 6 1 1 A 55 55 PRO C C 53 176.126 176.719 -0.593 1 1 614 . 6 1 1 A 55 55 PRO CA C 53 63.993 64.039 -0.046 1 1 615 . 6 1 1 A 55 55 PRO CB C 53 33.002 31.604 1.398 1 1 618 . 6 1 1 A 56 56 LYS H H 54 7.930 7.885 0.045 1 1 619 . 6 1 1 A 56 56 LYS HA H 54 3.988 4.402 -0.414 1 1 628 . 6 1 1 A 56 56 LYS C C 54 177.931 176.386 1.545 1 1 629 . 6 1 1 A 56 56 LYS CA C 54 56.770 55.931 0.839 1 1 630 . 6 1 1 A 56 56 LYS CB C 54 32.023 32.983 -0.960 1 1 634 . 6 1 1 A 56 56 LYS N N 54 112.924 116.012 -3.088 1 1 635 . 6 1 1 A 57 57 LEU H H 55 7.161 7.048 0.113 1 1 636 . 6 1 1 A 57 57 LEU HA H 55 4.059 4.155 -0.096 1 1 646 . 6 1 1 A 57 57 LEU C C 55 179.416 177.730 1.686 1 1 647 . 6 1 1 A 57 57 LEU CA C 55 56.088 55.157 0.931 1 1 648 . 6 1 1 A 57 57 LEU CB C 55 42.191 41.663 0.528 1 1 652 . 6 1 1 A 57 57 LEU N N 55 120.593 121.563 -0.970 1 1 653 . 6 1 1 A 58 58 LYS H H 56 8.720 8.989 -0.269 1 1 654 . 6 1 1 A 58 58 LYS HA H 56 3.911 3.856 0.055 1 1 663 . 6 1 1 A 58 58 LYS C C 56 178.937 178.234 0.703 1 1 664 . 6 1 1 A 58 58 LYS CA C 56 60.301 59.866 0.435 1 1 665 . 6 1 1 A 58 58 LYS CB C 56 32.121 32.259 -0.138 1 1 669 . 6 1 1 A 58 58 LYS N N 56 125.479 124.606 0.873 1 1 670 . 6 1 1 A 59 59 TRP H H 57 7.811 8.337 -0.526 1 1 671 . 6 1 1 A 59 59 TRP HA H 57 4.664 4.525 0.139 1 1 680 . 6 1 1 A 59 59 TRP C C 57 178.868 179.425 -0.557 1 1 681 . 6 1 1 A 59 59 TRP CA C 57 58.897 59.873 -0.976 1 1 682 . 6 1 1 A 59 59 TRP CB C 57 28.036 28.081 -0.045 1 1 688 . 6 1 1 A 59 59 TRP N N 57 113.433 119.098 -5.665 1 1 690 . 6 1 1 A 60 60 ILE H H 58 6.461 7.195 -0.734 1 1 691 . 6 1 1 A 60 60 ILE HA H 58 3.304 3.434 -0.130 1 1 701 . 6 1 1 A 60 60 ILE C C 58 177.726 177.848 -0.122 1 1 702 . 6 1 1 A 60 60 ILE CA C 58 64.314 64.707 -0.393 1 1 703 . 6 1 1 A 60 60 ILE CB C 58 35.897 36.805 -0.908 1 1 707 . 6 1 1 A 60 60 ILE N N 58 124.379 122.463 1.916 1 1 708 . 6 1 1 A 61 61 GLN H H 59 7.624 8.592 -0.968 1 1 709 . 6 1 1 A 61 61 GLN HA H 59 3.748 3.890 -0.142 1 1 716 . 6 1 1 A 61 61 GLN C C 59 178.434 179.020 -0.586 1 1 717 . 6 1 1 A 61 61 GLN CA C 59 59.379 59.411 -0.032 1 1 718 . 6 1 1 A 61 61 GLN CB C 59 28.272 28.322 -0.050 1 1 720 . 6 1 1 A 61 61 GLN N N 59 119.070 118.795 0.275 1 1 722 . 6 1 1 A 62 62 GLU H H 60 8.064 8.312 -0.248 1 1 723 . 6 1 1 A 62 62 GLU HA H 60 4.083 4.100 -0.017 1 1 728 . 6 1 1 A 62 62 GLU C C 60 179.051 178.687 0.364 1 1 729 . 6 1 1 A 62 62 GLU CA C 60 59.659 59.336 0.323 1 1 730 . 6 1 1 A 62 62 GLU CB C 60 30.457 29.628 0.829 1 1 732 . 6 1 1 A 62 62 GLU N N 60 117.166 120.342 -3.176 1 1 733 . 6 1 1 A 63 63 TYR H H 61 7.924 8.373 -0.449 1 1 734 . 6 1 1 A 63 63 TYR HA H 61 4.254 4.287 -0.033 1 1 741 . 6 1 1 A 63 63 TYR C C 61 178.617 177.626 0.991 1 1 742 . 6 1 1 A 63 63 TYR CA C 61 61.184 61.589 -0.405 1 1 743 . 6 1 1 A 63 63 TYR CB C 61 39.461 38.668 0.793 1 1 746 . 6 1 1 A 63 63 TYR N N 61 121.271 122.286 -1.015 1 1 747 . 6 1 1 A 64 64 LEU H H 62 8.260 9.034 -0.774 1 1 748 . 6 1 1 A 64 64 LEU HA H 62 3.954 3.886 0.068 1 1 758 . 6 1 1 A 64 64 LEU C C 62 179.553 179.055 0.498 1 1 759 . 6 1 1 A 64 64 LEU CA C 62 58.014 58.225 -0.211 1 1 760 . 6 1 1 A 64 64 LEU CB C 62 42.191 41.607 0.584 1 1 764 . 6 1 1 A 64 64 LEU N N 62 116.299 120.178 -3.879 1 1 765 . 6 1 1 A 65 65 GLU H H 63 8.454 8.331 0.123 1 1 766 . 6 1 1 A 65 65 GLU HA H 63 3.840 3.889 -0.049 1 1 771 . 6 1 1 A 65 65 GLU C C 63 179.279 179.005 0.274 1 1 772 . 6 1 1 A 65 65 GLU CA C 63 60.301 59.791 0.510 1 1 773 . 6 1 1 A 65 65 GLU CB C 63 29.870 29.310 0.560 1 1 775 . 6 1 1 A 65 65 GLU N N 63 118.616 117.487 1.129 1 1 776 . 6 1 1 A 66 66 LYS H H 64 7.575 7.847 -0.272 1 1 777 . 6 1 1 A 66 66 LYS HA H 64 4.212 4.045 0.167 1 1 786 . 6 1 1 A 66 66 LYS C C 64 178.457 178.693 -0.236 1 1 787 . 6 1 1 A 66 66 LYS CA C 64 58.496 59.174 -0.678 1 1 788 . 6 1 1 A 66 66 LYS CB C 64 32.400 32.238 0.162 1 1 792 . 6 1 1 A 66 66 LYS N N 64 117.166 118.538 -1.372 1 1 793 . 6 1 1 A 67 67 CYS H H 65 7.918 8.053 -0.135 1 1 794 . 6 1 1 A 67 67 CYS HA H 65 4.526 4.088 0.438 1 1 797 . 6 1 1 A 67 67 CYS C C 65 174.893 177.183 -2.290 1 1 798 . 6 1 1 A 67 67 CYS CA C 65 56.329 61.822 -5.493 1 1 799 . 6 1 1 A 67 67 CYS CB C 65 45.235 27.157 18.078 1 1 800 . 6 1 1 A 67 67 CYS N N 65 115.330 118.413 -3.083 1 1 801 . 6 1 1 A 68 68 LEU H H 66 7.559 7.774 -0.215 1 1 802 . 6 1 1 A 68 68 LEU HA H 66 4.490 4.026 0.464 1 1 812 . 6 1 1 A 68 68 LEU C C 66 176.812 178.153 -1.341 1 1 813 . 6 1 1 A 68 68 LEU CA C 66 55.366 57.656 -2.290 1 1 814 . 6 1 1 A 68 68 LEU CB C 66 43.278 41.794 1.484 1 1 818 . 6 1 1 A 68 68 LEU N N 66 120.930 122.609 -1.679 1 1 819 . 6 1 1 A 69 69 ASN H H 67 8.265 7.672 0.593 1 1 820 . 6 1 1 A 69 69 ASN HA H 67 4.669 4.759 -0.090 1 1 825 . 6 1 1 A 69 69 ASN CA C 67 53.761 53.775 -0.014 1 1 826 . 6 1 1 A 69 69 ASN CB C 67 39.069 39.166 -0.097 1 1 827 . 6 1 1 A 69 69 ASN N N 67 120.279 115.427 4.852 1 1 852 . 6 2 2 B 4 4 GLU H H 102 8.329 8.786 -0.457 1 1 853 . 6 2 2 B 4 4 GLU HA H 102 4.282 4.792 -0.510 1 1 858 . 6 2 2 B 4 4 GLU C C 102 177.132 176.604 0.528 1 1 859 . 6 2 2 B 4 4 GLU CA C 102 57.410 54.849 2.561 1 1 861 . 6 2 2 B 4 4 GLU N N 102 121.884 120.216 1.668 1 1 862 . 6 2 2 B 5 5 GLY H H 103 8.335 8.938 -0.603 1 1 863 . 6 2 2 B 5 5 GLY HA2 H 103 3.941 3.939 0.002 1 1 864 . 6 2 2 B 5 5 GLY HA3 H 103 3.941 3.939 0.002 1 1 865 . 6 2 2 B 5 5 GLY C C 103 174.207 175.199 -0.992 1 1 866 . 6 2 2 B 5 5 GLY CA C 103 45.731 46.756 -1.025 1 1 867 . 6 2 2 B 5 5 GLY N N 103 110.055 111.770 -1.715 1 1 868 . 6 2 2 B 6 6 ILE H H 104 7.831 8.086 -0.255 1 1 869 . 6 2 2 B 6 6 ILE HA H 104 4.269 4.039 0.230 1 1 879 . 6 2 2 B 6 6 ILE C C 104 176.401 175.995 0.406 1 1 880 . 6 2 2 B 6 6 ILE CA C 104 61.558 63.093 -1.535 1 1 881 . 6 2 2 B 6 6 ILE CB C 104 39.436 38.030 1.406 1 1 885 . 6 2 2 B 6 6 ILE N N 104 119.606 118.406 1.200 1 1 886 . 6 2 2 B 7 7 SER H H 105 8.324 8.218 0.106 1 1 887 . 6 2 2 B 7 7 SER HA H 105 4.535 4.749 -0.214 1 1 890 . 6 2 2 B 7 7 SER C C 105 174.550 174.464 0.086 1 1 891 . 6 2 2 B 7 7 SER CA C 105 58.667 59.551 -0.884 1 1 892 . 6 2 2 B 7 7 SER CB C 105 64.072 65.223 -1.151 1 1 893 . 6 2 2 B 7 7 SER N N 105 119.717 114.320 5.397 1 1 937 . 6 2 2 B 11 11 SER H H 109 8.211 8.964 -0.753 1 1 938 . 6 2 2 B 11 11 SER HA H 109 4.507 4.452 0.055 1 1 941 . 6 2 2 B 11 11 SER C C 109 174.504 174.333 0.171 1 1 942 . 6 2 2 B 11 11 SER CA C 109 58.919 60.498 -1.579 1 1 943 . 6 2 2 B 11 11 SER CB C 109 64.198 63.993 0.205 1 1 944 . 6 2 2 B 11 11 SER N N 109 117.260 122.260 -5.000 1 1 945 . 6 2 2 B 12 12 ASP H H 110 8.323 7.672 0.651 1 1 946 . 6 2 2 B 12 12 ASP HA H 110 4.620 5.062 -0.442 1 1 949 . 6 2 2 B 12 12 ASP C C 110 176.058 174.280 1.778 1 1 950 . 6 2 2 B 12 12 ASP CA C 110 55.022 53.623 1.399 1 1 951 . 6 2 2 B 12 12 ASP CB C 110 41.825 43.294 -1.469 1 1 952 . 6 2 2 B 12 12 ASP N N 110 122.020 115.278 6.742 1 1 986 . 6 2 2 B 16 16 GLU H H 114 8.378 7.845 0.533 1 1 987 . 6 2 2 B 16 16 GLU HA H 114 4.268 4.892 -0.624 1 1 992 . 6 2 2 B 16 16 GLU C C 114 176.766 175.196 1.570 1 1 993 . 6 2 2 B 16 16 GLU CA C 114 57.410 54.450 2.960 1 1 994 . 6 2 2 B 16 16 GLU CB C 114 30.620 33.893 -3.273 1 1 996 . 6 2 2 B 16 16 GLU N N 114 123.052 123.449 -0.397 1 1 997 . 6 2 2 B 17 17 GLU H H 115 8.326 8.351 -0.025 1 1 998 . 6 2 2 B 17 17 GLU HA H 115 4.274 4.773 -0.499 1 1 1003 . 6 2 2 B 17 17 GLU C C 115 176.880 175.482 1.398 1 1 1004 . 6 2 2 B 17 17 GLU CA C 115 57.410 55.684 1.726 1 1 1005 . 6 2 2 B 17 17 GLU CB C 115 30.525 31.729 -1.204 1 1 1007 . 6 2 2 B 17 17 GLU N N 115 121.688 120.434 1.254 1 1 1008 . 6 2 2 B 18 18 MET H H 116 8.309 8.899 -0.590 1 1 1009 . 6 2 2 B 18 18 MET HA H 116 4.473 4.970 -0.497 1 1 1014 . 6 2 2 B 18 18 MET C C 116 177.086 175.078 2.008 1 1 1015 . 6 2 2 B 18 18 MET CA C 116 56.279 54.492 1.787 1 1 1016 . 6 2 2 B 18 18 MET CB C 116 33.026 34.092 -1.066 1 1 1017 . 6 2 2 B 18 18 MET N N 116 121.270 120.252 1.018 1 1 1018 . 6 2 2 B 19 19 GLY H H 117 8.335 9.078 -0.743 1 1 1019 . 6 2 2 B 19 19 GLY HA2 H 117 4.054 4.045 0.009 1 1 1020 . 6 2 2 B 19 19 GLY HA3 H 117 4.054 4.046 0.008 1 1 1021 . 6 2 2 B 19 19 GLY C C 117 174.481 173.389 1.092 1 1 1022 . 6 2 2 B 19 19 GLY CA C 117 45.847 46.304 -0.457 1 1 1023 . 6 2 2 B 19 19 GLY N N 117 110.055 111.728 -1.673 1 1 1024 . 6 2 2 B 20 20 SER H H 118 8.230 8.133 0.097 1 1 1025 . 6 2 2 B 20 20 SER HA H 118 4.476 4.550 -0.074 1 1 1028 . 6 2 2 B 20 20 SER C C 118 175.327 175.300 0.027 1 1 1029 . 6 2 2 B 20 20 SER CA C 118 58.919 58.934 -0.015 1 1 1030 . 6 2 2 B 20 20 SER CB C 118 64.575 64.440 0.135 1 1 1031 . 6 2 2 B 20 20 SER N N 118 115.664 116.864 -1.200 1 1 1032 . 6 2 2 B 21 21 GLY H H 119 8.354 8.936 -0.582 1 1 1033 . 6 2 2 B 21 21 GLY HA2 H 119 3.941 3.955 -0.014 1 1 1034 . 6 2 2 B 21 21 GLY HA3 H 119 3.941 3.957 -0.016 1 1 1035 . 6 2 2 B 21 21 GLY C C 119 174.002 173.999 0.003 1 1 1036 . 6 2 2 B 21 21 GLY CA C 119 45.721 46.528 -0.807 1 1 1037 . 6 2 2 B 21 21 GLY N N 119 110.872 112.996 -2.124 1 1 1068 . 6 2 2 B 25 25 SER H H 123 8.155 8.207 -0.052 1 1 1069 . 6 2 2 B 25 25 SER HA H 123 4.391 4.030 0.361 1 1 1072 . 6 2 2 B 25 25 SER C C 123 175.075 172.985 2.090 1 1 1073 . 6 2 2 B 25 25 SER CA C 123 59.347 59.335 0.012 1 1 1074 . 6 2 2 B 25 25 SER CB C 123 63.879 62.181 1.698 1 1 1075 . 6 2 2 B 25 25 SER N N 123 116.126 113.789 2.337 1 1 1076 . 6 2 2 B 26 26 MET H H 124 8.221 7.399 0.822 1 1 1077 . 6 2 2 B 26 26 MET HA H 124 4.476 5.129 -0.653 1 1 1082 . 6 2 2 B 26 26 MET C C 124 176.355 174.560 1.795 1 1 1083 . 6 2 2 B 26 26 MET CA C 124 56.279 55.010 1.269 1 1 1084 . 6 2 2 B 26 26 MET CB C 124 32.900 34.957 -2.057 1 1 1086 . 6 2 2 B 26 26 MET N N 124 121.210 118.923 2.287 1 1 1087 . 6 2 2 B 27 27 LYS H H 125 8.025 8.514 -0.489 1 1 1088 . 6 2 2 B 27 27 LYS HA H 125 4.312 4.753 -0.441 1 1 1097 . 6 2 2 B 27 27 LYS C C 125 176.355 174.093 2.262 1 1 1098 . 6 2 2 B 27 27 LYS CA C 125 56.656 55.942 0.714 1 1 1099 . 6 2 2 B 27 27 LYS CB C 125 33.529 36.842 -3.313 1 1 1103 . 6 2 2 B 27 27 LYS N N 125 121.457 122.881 -1.424 1 1 1104 . 6 2 2 B 28 28 GLU H H 126 8.222 8.576 -0.354 1 1 1105 . 6 2 2 B 28 28 GLU N N 126 122.740 125.159 -2.419 1 1 1106 . 6 2 2 B 29 29 PRO HA H 127 4.355 4.282 0.073 1 1 1113 . 6 2 2 B 29 29 PRO C C 127 176.812 177.179 -0.367 1 1 1114 . 6 2 2 B 29 29 PRO CA C 127 63.821 65.826 -2.005 1 1 1115 . 6 2 2 B 29 29 PRO CB C 127 32.272 31.751 0.521 1 1 1118 . 6 2 2 B 30 30 ALA H H 128 8.267 7.965 0.302 1 1 1119 . 6 2 2 B 30 30 ALA HA H 128 4.269 4.046 0.223 1 1 1123 . 6 2 2 B 30 30 ALA C C 128 177.589 175.708 1.881 1 1 1124 . 6 2 2 B 30 30 ALA CA C 128 52.873 53.483 -0.610 1 1 1125 . 6 2 2 B 30 30 ALA CB C 128 19.703 17.872 1.831 1 1 1126 . 6 2 2 B 30 30 ALA N N 128 123.577 119.218 4.359 1 1 1127 . 6 2 2 B 31 31 PHE H H 129 8.019 8.066 -0.047 1 1 1128 . 6 2 2 B 31 31 PHE HA H 129 4.621 4.850 -0.229 1 1 1136 . 6 2 2 B 31 31 PHE C C 129 175.624 175.092 0.532 1 1 1137 . 6 2 2 B 31 31 PHE CA C 129 58.039 56.383 1.656 1 1 1138 . 6 2 2 B 31 31 PHE CB C 129 40.055 40.432 -0.377 1 1 1142 . 6 2 2 B 31 31 PHE N N 129 118.994 117.236 1.758 1 1 1143 . 6 2 2 B 32 32 ARG H H 130 8.029 8.362 -0.333 1 1 1144 . 6 2 2 B 32 32 ARG HA H 130 4.309 4.222 0.087 1 1 1151 . 6 2 2 B 32 32 ARG C C 130 175.875 175.202 0.673 1 1 1152 . 6 2 2 B 32 32 ARG CA C 130 56.154 57.112 -0.958 1 1 1153 . 6 2 2 B 32 32 ARG CB C 130 31.643 32.931 -1.288 1 1 1156 . 6 2 2 B 32 32 ARG N N 130 122.929 126.875 -3.946 1 1 1157 . 6 2 2 B 33 33 GLU H H 131 8.374 8.372 0.002 1 1 1158 . 6 2 2 B 33 33 GLU HA H 131 4.276 4.648 -0.372 1 1 1163 . 6 2 2 B 33 33 GLU C C 131 176.766 175.113 1.653 1 1 1164 . 6 2 2 B 33 33 GLU CA C 131 57.285 55.113 2.172 1 1 1165 . 6 2 2 B 33 33 GLU CB C 131 30.512 31.690 -1.178 1 1 1167 . 6 2 2 B 33 33 GLU N N 131 122.719 118.402 4.317 1 1 1168 . 6 2 2 B 34 34 GLU H H 132 8.509 8.733 -0.224 1 1 1169 . 6 2 2 B 34 34 GLU HA H 132 4.271 5.087 -0.816 1 1 1174 . 6 2 2 B 34 34 GLU C C 132 176.560 174.275 2.285 1 1 1175 . 6 2 2 B 34 34 GLU CA C 132 57.400 56.189 1.211 1 1 1176 . 6 2 2 B 34 34 GLU CB C 132 30.530 32.173 -1.643 1 1 1178 . 6 2 2 B 34 34 GLU N N 132 122.122 120.090 2.032 1 1 1179 . 6 2 2 B 35 35 ASN H H 133 8.362 8.694 -0.332 1 1 1180 . 6 2 2 B 35 35 ASN HA H 133 4.693 5.152 -0.459 1 1 1183 . 6 2 2 B 35 35 ASN C C 133 175.258 173.923 1.335 1 1 1184 . 6 2 2 B 35 35 ASN CA C 133 53.765 52.689 1.076 1 1 1185 . 6 2 2 B 35 35 ASN CB C 133 39.562 39.615 -0.053 1 1 1186 . 6 2 2 B 35 35 ASN N N 133 119.552 126.677 -7.125 1 1 1187 . 6 2 2 B 36 36 ALA H H 134 8.155 8.864 -0.709 1 1 1188 . 6 2 2 B 36 36 ALA HA H 134 4.265 4.868 -0.603 1 1 1192 . 6 2 2 B 36 36 ALA C C 134 177.520 175.301 2.219 1 1 1193 . 6 2 2 B 36 36 ALA CA C 134 52.873 51.291 1.582 1 1 1194 . 6 2 2 B 36 36 ALA CB C 134 19.703 19.725 -0.022 1 1 1195 . 6 2 2 B 36 36 ALA N N 134 124.376 128.802 -4.426 1 1 1196 . 6 2 2 B 37 37 ASN H H 135 8.210 8.822 -0.612 1 1 1197 . 6 2 2 B 37 37 ASN HA H 135 4.688 5.090 -0.402 1 1 1200 . 6 2 2 B 37 37 ASN C C 135 175.144 173.113 2.031 1 1 1201 . 6 2 2 B 37 37 ASN CA C 135 53.640 51.593 2.047 1 1 1202 . 6 2 2 B 37 37 ASN CB C 135 39.311 38.378 0.933 1 1 1203 . 6 2 2 B 37 37 ASN N N 135 117.103 123.335 -6.232 1 1 1204 . 6 2 2 B 38 38 PHE H H 136 7.997 8.615 -0.618 1 1 1205 . 6 2 2 B 38 38 PHE HA H 136 4.623 4.949 -0.326 1 1 1212 . 6 2 2 B 38 38 PHE C C 136 175.601 175.406 0.195 1 1 1213 . 6 2 2 B 38 38 PHE CA C 136 58.165 56.330 1.835 1 1 1214 . 6 2 2 B 38 38 PHE CB C 136 39.939 40.938 -0.999 1 1 1217 . 6 2 2 B 38 38 PHE N N 136 120.229 124.333 -4.104 1 1 1218 . 6 2 2 B 39 39 ASN H H 137 8.272 9.068 -0.796 1 1 1219 . 6 2 2 B 39 39 ASN HA H 137 4.702 4.691 0.011 1 1 1222 . 6 2 2 B 39 39 ASN C C 137 174.047 175.642 -1.595 1 1 1223 . 6 2 2 B 39 39 ASN CA C 137 53.891 56.011 -2.120 1 1 1224 . 6 2 2 B 39 39 ASN CB C 137 39.688 39.377 0.311 1 1 1225 . 6 2 2 B 39 39 ASN N N 137 120.594 123.811 -3.217 1 1 3 . 7 1 1 A 4 4 PRO HA H 2 4.510 4.792 -0.282 1 1 10 . 7 1 1 A 4 4 PRO C C 2 177.132 175.514 1.618 1 1 11 . 7 1 1 A 4 4 PRO CA C 2 63.529 62.372 1.157 1 1 12 . 7 1 1 A 4 4 PRO CB C 2 32.476 29.300 3.176 1 1 15 . 7 1 1 A 5 5 VAL H H 3 8.201 8.201 0.000 1 1 16 . 7 1 1 A 5 5 VAL HA H 3 4.140 4.820 -0.680 1 1 24 . 7 1 1 A 5 5 VAL C C 3 176.423 174.674 1.749 1 1 25 . 7 1 1 A 5 5 VAL CA C 3 62.873 59.454 3.419 1 1 26 . 7 1 1 A 5 5 VAL CB C 3 33.455 35.116 -1.661 1 1 28 . 7 1 1 A 5 5 VAL N N 3 120.488 117.863 2.625 1 1 29 . 7 1 1 A 6 6 SER H H 4 8.276 8.831 -0.555 1 1 30 . 7 1 1 A 6 6 SER HA H 4 4.487 4.399 0.088 1 1 33 . 7 1 1 A 6 6 SER C C 4 174.687 172.985 1.702 1 1 34 . 7 1 1 A 6 6 SER CA C 4 58.375 58.981 -0.606 1 1 35 . 7 1 1 A 6 6 SER CB C 4 64.295 62.059 2.236 1 1 36 . 7 1 1 A 6 6 SER N N 4 119.000 117.386 1.614 1 1 37 . 7 1 1 A 7 7 LEU H H 5 8.238 8.456 -0.218 1 1 38 . 7 1 1 A 7 7 LEU HA H 5 4.397 4.813 -0.416 1 1 44 . 7 1 1 A 7 7 LEU C C 5 177.406 176.211 1.195 1 1 45 . 7 1 1 A 7 7 LEU CA C 5 55.766 53.321 2.445 1 1 46 . 7 1 1 A 7 7 LEU CB C 5 43.132 43.391 -0.259 1 1 48 . 7 1 1 A 7 7 LEU N N 5 124.704 123.518 1.186 1 1 49 . 7 1 1 A 8 8 SER H H 6 8.148 8.761 -0.613 1 1 50 . 7 1 1 A 8 8 SER HA H 6 4.438 4.938 -0.500 1 1 53 . 7 1 1 A 8 8 SER C C 6 174.321 172.345 1.976 1 1 54 . 7 1 1 A 8 8 SER CA C 6 58.718 57.098 1.620 1 1 55 . 7 1 1 A 8 8 SER CB C 6 64.295 66.343 -2.048 1 1 56 . 7 1 1 A 8 8 SER N N 6 115.960 112.962 2.998 1 1 57 . 7 1 1 A 9 9 TYR H H 7 7.915 8.822 -0.907 1 1 58 . 7 1 1 A 9 9 TYR HA H 7 4.585 4.744 -0.159 1 1 65 . 7 1 1 A 9 9 TYR C C 7 175.532 174.652 0.880 1 1 66 . 7 1 1 A 9 9 TYR CA C 7 58.335 56.772 1.563 1 1 67 . 7 1 1 A 9 9 TYR CB C 7 39.474 36.346 3.128 1 1 70 . 7 1 1 A 9 9 TYR N N 7 121.884 121.850 0.034 1 1 71 . 7 1 1 A 10 10 ARG H H 8 8.117 8.327 -0.210 1 1 72 . 7 1 1 A 10 10 ARG HA H 8 4.337 5.003 -0.666 1 1 79 . 7 1 1 A 10 10 ARG C C 8 175.898 174.285 1.613 1 1 80 . 7 1 1 A 10 10 ARG CA C 8 56.048 54.303 1.745 1 1 81 . 7 1 1 A 10 10 ARG CB C 8 31.492 33.787 -2.295 1 1 84 . 7 1 1 A 10 10 ARG N N 8 121.977 124.784 -2.807 1 1 85 . 7 1 1 A 11 11 CYS H H 9 8.127 8.691 -0.564 1 1 86 . 7 1 1 A 11 11 CYS HA H 9 4.984 5.083 -0.099 1 1 89 . 7 1 1 A 11 11 CYS C C 9 177.771 173.727 4.044 1 1 90 . 7 1 1 A 11 11 CYS CA C 9 53.192 54.224 -1.032 1 1 91 . 7 1 1 A 11 11 CYS CB C 9 40.897 43.621 -2.724 1 1 92 . 7 1 1 A 11 11 CYS N N 9 121.209 123.914 -2.705 1 1 93 . 7 1 1 A 12 12 PRO HA H 10 4.321 4.313 0.008 1 1 100 . 7 1 1 A 12 12 PRO CA C 10 65.478 65.060 0.418 1 1 101 . 7 1 1 A 12 12 PRO CB C 10 32.904 31.377 1.527 1 1 104 . 7 1 1 A 13 13 CYS H H 11 8.633 8.288 0.345 1 1 105 . 7 1 1 A 13 13 CYS C C 11 174.618 173.462 1.156 1 1 106 . 7 1 1 A 13 13 CYS N N 11 114.595 116.777 -2.182 1 1 107 . 7 1 1 A 14 14 ARG H H 12 8.236 8.958 -0.722 1 1 108 . 7 1 1 A 14 14 ARG HA H 12 4.067 4.260 -0.193 1 1 115 . 7 1 1 A 14 14 ARG C C 12 175.098 175.466 -0.368 1 1 116 . 7 1 1 A 14 14 ARG CA C 12 57.370 57.772 -0.402 1 1 117 . 7 1 1 A 14 14 ARG CB C 12 31.631 31.417 0.214 1 1 120 . 7 1 1 A 14 14 ARG N N 12 122.779 127.182 -4.403 1 1 121 . 7 1 1 A 15 15 PHE H H 13 7.571 8.046 -0.475 1 1 122 . 7 1 1 A 15 15 PHE HA H 13 4.510 4.356 0.154 1 1 129 . 7 1 1 A 15 15 PHE C C 13 174.162 174.491 -0.329 1 1 130 . 7 1 1 A 15 15 PHE CA C 13 56.289 56.388 -0.099 1 1 131 . 7 1 1 A 15 15 PHE CB C 13 41.320 41.271 0.049 1 1 134 . 7 1 1 A 15 15 PHE N N 13 116.797 115.876 0.921 1 1 135 . 7 1 1 A 16 16 PHE H H 14 8.084 8.318 -0.234 1 1 136 . 7 1 1 A 16 16 PHE HA H 14 4.767 5.263 -0.496 1 1 143 . 7 1 1 A 16 16 PHE C C 14 175.441 174.218 1.223 1 1 144 . 7 1 1 A 16 16 PHE CA C 14 55.767 55.651 0.116 1 1 145 . 7 1 1 A 16 16 PHE CB C 14 41.320 41.957 -0.637 1 1 148 . 7 1 1 A 16 16 PHE N N 14 118.930 118.839 0.091 1 1 149 . 7 1 1 A 17 17 GLU H H 15 8.815 9.569 -0.754 1 1 150 . 7 1 1 A 17 17 GLU HA H 15 4.579 4.451 0.128 1 1 155 . 7 1 1 A 17 17 GLU C C 15 176.857 176.751 0.106 1 1 156 . 7 1 1 A 17 17 GLU CA C 15 56.289 57.149 -0.860 1 1 157 . 7 1 1 A 17 17 GLU CB C 15 31.173 30.854 0.319 1 1 159 . 7 1 1 A 17 17 GLU N N 15 122.929 125.497 -2.568 1 1 160 . 7 1 1 A 18 18 SER H H 16 8.751 8.729 0.022 1 1 161 . 7 1 1 A 18 18 SER HA H 16 4.762 4.815 -0.053 1 1 164 . 7 1 1 A 18 18 SER C C 16 177.497 175.789 1.708 1 1 165 . 7 1 1 A 18 18 SER CA C 16 59.328 58.536 0.792 1 1 166 . 7 1 1 A 18 18 SER CB C 16 64.515 64.943 -0.428 1 1 167 . 7 1 1 A 18 18 SER N N 16 118.860 118.903 -0.043 1 1 168 . 7 1 1 A 19 19 HIS H H 17 8.761 8.095 0.666 1 1 169 . 7 1 1 A 19 19 HIS HA H 17 4.832 4.744 0.088 1 1 174 . 7 1 1 A 19 19 HIS C C 17 174.618 175.221 -0.603 1 1 175 . 7 1 1 A 19 19 HIS CA C 17 56.449 55.552 0.897 1 1 176 . 7 1 1 A 19 19 HIS CB C 17 30.214 29.579 0.635 1 1 179 . 7 1 1 A 19 19 HIS N N 17 120.535 118.586 1.949 1 1 180 . 7 1 1 A 20 20 VAL H H 18 7.085 7.717 -0.632 1 1 181 . 7 1 1 A 20 20 VAL HA H 18 4.160 3.954 0.206 1 1 189 . 7 1 1 A 20 20 VAL C C 18 174.436 175.552 -1.116 1 1 190 . 7 1 1 A 20 20 VAL CA C 18 62.167 62.708 -0.541 1 1 191 . 7 1 1 A 20 20 VAL CB C 18 34.426 32.877 1.549 1 1 193 . 7 1 1 A 20 20 VAL N N 18 120.872 120.947 -0.075 1 1 194 . 7 1 1 A 21 21 ALA H H 19 8.521 8.193 0.328 1 1 195 . 7 1 1 A 21 21 ALA HA H 19 4.367 4.401 -0.034 1 1 199 . 7 1 1 A 21 21 ALA C C 19 177.657 177.381 0.276 1 1 200 . 7 1 1 A 21 21 ALA CA C 19 51.193 50.523 0.670 1 1 201 . 7 1 1 A 21 21 ALA CB C 19 19.790 20.510 -0.720 1 1 202 . 7 1 1 A 21 21 ALA N N 19 131.339 128.857 2.482 1 1 203 . 7 1 1 A 22 22 ARG H H 20 7.790 8.197 -0.407 1 1 204 . 7 1 1 A 22 22 ARG HA H 20 2.451 2.857 -0.406 1 1 211 . 7 1 1 A 22 22 ARG C C 20 178.365 177.465 0.900 1 1 212 . 7 1 1 A 22 22 ARG CA C 20 59.379 59.129 0.250 1 1 213 . 7 1 1 A 22 22 ARG CB C 20 29.572 29.554 0.018 1 1 216 . 7 1 1 A 22 22 ARG N N 20 124.365 123.742 0.623 1 1 217 . 7 1 1 A 23 23 ALA H H 21 8.120 7.590 0.530 1 1 218 . 7 1 1 A 23 23 ALA HA H 21 4.060 4.171 -0.111 1 1 222 . 7 1 1 A 23 23 ALA C C 21 178.000 178.026 -0.026 1 1 223 . 7 1 1 A 23 23 ALA CA C 21 54.100 53.289 0.811 1 1 224 . 7 1 1 A 23 23 ALA CB C 21 18.713 18.710 0.003 1 1 225 . 7 1 1 A 23 23 ALA N N 21 117.156 119.975 -2.819 1 1 226 . 7 1 1 A 24 24 ASN H H 22 7.707 7.746 -0.039 1 1 227 . 7 1 1 A 24 24 ASN HA H 22 5.010 4.781 0.229 1 1 232 . 7 1 1 A 24 24 ASN C C 22 174.938 174.757 0.181 1 1 233 . 7 1 1 A 24 24 ASN CA C 22 52.869 52.902 -0.033 1 1 234 . 7 1 1 A 24 24 ASN CB C 22 40.573 38.943 1.630 1 1 235 . 7 1 1 A 24 24 ASN N N 22 112.819 115.234 -2.415 1 1 237 . 7 1 1 A 25 25 VAL H H 23 7.489 7.409 0.080 1 1 238 . 7 1 1 A 25 25 VAL HA H 23 4.888 4.304 0.584 1 1 246 . 7 1 1 A 25 25 VAL C C 23 175.829 175.715 0.114 1 1 247 . 7 1 1 A 25 25 VAL CA C 23 59.870 60.490 -0.620 1 1 248 . 7 1 1 A 25 25 VAL CB C 23 35.396 33.426 1.970 1 1 251 . 7 1 1 A 25 25 VAL N N 23 119.721 117.278 2.443 1 1 252 . 7 1 1 A 26 26 LYS H H 24 9.480 9.110 0.370 1 1 253 . 7 1 1 A 26 26 LYS HA H 24 4.353 4.339 0.014 1 1 262 . 7 1 1 A 26 26 LYS C C 24 176.606 176.494 0.112 1 1 263 . 7 1 1 A 26 26 LYS CA C 24 58.977 57.456 1.521 1 1 264 . 7 1 1 A 26 26 LYS CB C 24 34.567 33.001 1.566 1 1 268 . 7 1 1 A 26 26 LYS N N 24 127.843 122.192 5.651 1 1 269 . 7 1 1 A 27 27 HIS H H 25 7.237 7.495 -0.258 1 1 270 . 7 1 1 A 27 27 HIS HA H 25 4.979 4.958 0.021 1 1 275 . 7 1 1 A 27 27 HIS C C 25 178.434 172.473 5.961 1 1 276 . 7 1 1 A 27 27 HIS CA C 25 55.406 54.810 0.596 1 1 277 . 7 1 1 A 27 27 HIS CB C 25 32.480 31.317 1.163 1 1 280 . 7 1 1 A 27 27 HIS N N 25 109.556 114.104 -4.548 1 1 281 . 7 1 1 A 28 28 LEU H H 26 8.189 8.719 -0.530 1 1 282 . 7 1 1 A 28 28 LEU HA H 26 5.190 5.246 -0.056 1 1 292 . 7 1 1 A 28 28 LEU C C 26 175.510 175.786 -0.276 1 1 293 . 7 1 1 A 28 28 LEU CA C 26 53.480 53.553 -0.073 1 1 294 . 7 1 1 A 28 28 LEU CB C 26 45.235 45.631 -0.396 1 1 298 . 7 1 1 A 28 28 LEU N N 26 117.260 119.697 -2.437 1 1 299 . 7 1 1 A 29 29 LYS H H 27 9.572 8.771 0.801 1 1 300 . 7 1 1 A 29 29 LYS HA H 27 5.372 5.049 0.323 1 1 309 . 7 1 1 A 29 29 LYS C C 27 174.801 174.325 0.476 1 1 310 . 7 1 1 A 29 29 LYS CA C 27 55.165 54.961 0.204 1 1 311 . 7 1 1 A 29 29 LYS CB C 27 35.253 35.949 -0.696 1 1 315 . 7 1 1 A 29 29 LYS N N 27 123.488 122.672 0.816 1 1 316 . 7 1 1 A 30 30 ILE H H 28 9.136 9.000 0.136 1 1 317 . 7 1 1 A 30 30 ILE HA H 28 4.924 5.181 -0.257 1 1 327 . 7 1 1 A 30 30 ILE C C 28 176.949 175.222 1.727 1 1 328 . 7 1 1 A 30 30 ILE CA C 28 60.542 58.770 1.772 1 1 329 . 7 1 1 A 30 30 ILE CB C 28 39.600 38.599 1.001 1 1 333 . 7 1 1 A 30 30 ILE N N 28 123.846 127.562 -3.716 1 1 334 . 7 1 1 A 31 31 LEU H H 29 8.805 9.472 -0.667 1 1 335 . 7 1 1 A 31 31 LEU HA H 29 4.535 5.031 -0.496 1 1 344 . 7 1 1 A 31 31 LEU C C 29 176.012 175.725 0.287 1 1 345 . 7 1 1 A 31 31 LEU CA C 29 55.366 53.323 2.043 1 1 346 . 7 1 1 A 31 31 LEU CB C 29 43.180 45.565 -2.385 1 1 349 . 7 1 1 A 31 31 LEU N N 29 128.649 127.595 1.054 1 1 350 . 7 1 1 A 32 32 ASN H H 30 8.216 8.675 -0.459 1 1 351 . 7 1 1 A 32 32 ASN HA H 30 5.005 4.928 0.077 1 1 356 . 7 1 1 A 32 32 ASN C C 30 174.664 174.611 0.053 1 1 357 . 7 1 1 A 32 32 ASN CA C 30 52.517 52.002 0.515 1 1 358 . 7 1 1 A 32 32 ASN CB C 30 38.776 39.066 -0.290 1 1 359 . 7 1 1 A 32 32 ASN N N 30 120.791 122.708 -1.917 1 1 361 . 7 1 1 A 33 33 THR H H 31 7.883 8.733 -0.850 1 1 362 . 7 1 1 A 33 33 THR HA H 31 4.842 4.950 -0.108 1 1 367 . 7 1 1 A 33 33 THR CA C 31 58.369 59.338 -0.969 1 1 368 . 7 1 1 A 33 33 THR CB C 31 70.018 69.225 0.793 1 1 370 . 7 1 1 A 33 33 THR N N 31 115.811 117.283 -1.472 1 1 371 . 7 1 1 A 34 34 PRO HA H 32 4.317 4.542 -0.225 1 1 378 . 7 1 1 A 34 34 PRO CA C 32 65.164 64.016 1.148 1 1 379 . 7 1 1 A 34 34 PRO CB C 32 32.484 32.004 0.480 1 1 382 . 7 1 1 A 35 35 ASN H H 33 8.259 8.432 -0.173 1 1 383 . 7 1 1 A 35 35 ASN HA H 33 4.651 5.031 -0.380 1 1 388 . 7 1 1 A 35 35 ASN C C 33 174.710 174.191 0.519 1 1 389 . 7 1 1 A 35 35 ASN CA C 33 54.532 52.562 1.970 1 1 390 . 7 1 1 A 35 35 ASN CB C 33 39.167 39.582 -0.415 1 1 391 . 7 1 1 A 35 35 ASN N N 33 120.081 116.310 3.771 1 1 393 . 7 1 1 A 36 36 CYS H H 34 7.569 7.693 -0.124 1 1 394 . 7 1 1 A 36 36 CYS HA H 34 4.675 4.982 -0.307 1 1 397 . 7 1 1 A 36 36 CYS C C 34 173.865 173.768 0.097 1 1 398 . 7 1 1 A 36 36 CYS CA C 34 55.447 55.072 0.375 1 1 399 . 7 1 1 A 36 36 CYS CB C 34 45.228 46.154 -0.926 1 1 400 . 7 1 1 A 36 36 CYS N N 34 117.076 116.841 0.235 1 1 401 . 7 1 1 A 37 37 ALA H H 35 8.472 8.414 0.058 1 1 402 . 7 1 1 A 37 37 ALA HA H 35 4.223 4.050 0.173 1 1 406 . 7 1 1 A 37 37 ALA C C 35 176.423 176.917 -0.494 1 1 407 . 7 1 1 A 37 37 ALA CA C 35 53.537 55.341 -1.804 1 1 408 . 7 1 1 A 37 37 ALA CB C 35 19.202 19.026 0.176 1 1 409 . 7 1 1 A 37 37 ALA N N 35 125.153 125.118 0.035 1 1 410 . 7 1 1 A 38 38 CYS H H 36 8.316 7.670 0.646 1 1 411 . 7 1 1 A 38 38 CYS HA H 36 4.196 4.750 -0.554 1 1 414 . 7 1 1 A 38 38 CYS C C 36 173.705 172.395 1.310 1 1 415 . 7 1 1 A 38 38 CYS CA C 36 58.616 57.714 0.902 1 1 416 . 7 1 1 A 38 38 CYS CB C 36 45.705 30.437 15.268 1 1 417 . 7 1 1 A 38 38 CYS N N 36 118.837 113.534 5.303 1 1 418 . 7 1 1 A 39 39 GLN H H 37 8.928 8.605 0.323 1 1 419 . 7 1 1 A 39 39 GLN HA H 37 4.596 4.984 -0.388 1 1 426 . 7 1 1 A 39 39 GLN C C 37 173.636 174.110 -0.474 1 1 427 . 7 1 1 A 39 39 GLN CA C 37 54.603 54.098 0.505 1 1 428 . 7 1 1 A 39 39 GLN CB C 37 31.761 32.026 -0.265 1 1 430 . 7 1 1 A 39 39 GLN N N 37 128.567 125.120 3.447 1 1 432 . 7 1 1 A 40 40 ILE H H 38 8.851 8.476 0.375 1 1 433 . 7 1 1 A 40 40 ILE HA H 38 5.087 5.088 -0.001 1 1 443 . 7 1 1 A 40 40 ILE C C 38 174.390 175.048 -0.658 1 1 444 . 7 1 1 A 40 40 ILE CA C 38 60.582 60.071 0.511 1 1 445 . 7 1 1 A 40 40 ILE CB C 38 40.048 40.274 -0.226 1 1 449 . 7 1 1 A 40 40 ILE N N 38 123.962 127.221 -3.259 1 1 450 . 7 1 1 A 41 41 VAL H H 39 9.090 9.665 -0.575 1 1 451 . 7 1 1 A 41 41 VAL HA H 39 4.822 4.993 -0.171 1 1 459 . 7 1 1 A 41 41 VAL C C 39 175.487 175.208 0.279 1 1 460 . 7 1 1 A 41 41 VAL CA C 39 59.980 60.991 -1.011 1 1 461 . 7 1 1 A 41 41 VAL CB C 39 35.868 34.485 1.383 1 1 464 . 7 1 1 A 41 41 VAL N N 39 126.354 127.856 -1.502 1 1 465 . 7 1 1 A 42 42 ALA H H 40 9.513 9.108 0.405 1 1 466 . 7 1 1 A 42 42 ALA HA H 40 5.137 5.190 -0.053 1 1 470 . 7 1 1 A 42 42 ALA C C 40 175.944 175.814 0.130 1 1 471 . 7 1 1 A 42 42 ALA CA C 40 50.591 50.409 0.182 1 1 472 . 7 1 1 A 42 42 ALA CB C 40 22.432 22.963 -0.531 1 1 473 . 7 1 1 A 42 42 ALA N N 40 128.406 128.482 -0.076 1 1 474 . 7 1 1 A 43 43 ARG H H 41 7.720 8.402 -0.682 1 1 475 . 7 1 1 A 43 43 ARG HA H 41 4.959 4.668 0.291 1 1 482 . 7 1 1 A 43 43 ARG C C 41 175.510 175.921 -0.411 1 1 483 . 7 1 1 A 43 43 ARG CA C 41 54.162 54.612 -0.450 1 1 484 . 7 1 1 A 43 43 ARG CB C 41 31.200 33.025 -1.825 1 1 487 . 7 1 1 A 43 43 ARG N N 41 121.795 122.084 -0.289 1 1 488 . 7 1 1 A 44 44 LEU H H 42 9.164 8.533 0.631 1 1 489 . 7 1 1 A 44 44 LEU HA H 42 5.021 4.418 0.603 1 1 499 . 7 1 1 A 44 44 LEU C C 42 177.840 177.708 0.132 1 1 500 . 7 1 1 A 44 44 LEU CA C 42 54.724 54.852 -0.128 1 1 501 . 7 1 1 A 44 44 LEU CB C 42 41.712 42.157 -0.445 1 1 505 . 7 1 1 A 44 44 LEU N N 42 129.087 124.210 4.877 1 1 506 . 7 1 1 A 45 45 LYS H H 43 8.396 8.534 -0.138 1 1 507 . 7 1 1 A 45 45 LYS HA H 43 3.950 3.983 -0.033 1 1 516 . 7 1 1 A 45 45 LYS CA C 43 59.016 56.903 2.113 1 1 517 . 7 1 1 A 45 45 LYS CB C 43 34.102 32.891 1.211 1 1 520 . 7 1 1 A 45 45 LYS N N 43 119.674 121.177 -1.503 1 1 521 . 7 1 1 A 48 48 ASN HA H 46 4.709 4.767 -0.058 1 1 526 . 7 1 1 A 48 48 ASN C C 46 175.098 175.084 0.014 1 1 527 . 7 1 1 A 48 48 ASN CA C 46 54.764 52.902 1.862 1 1 528 . 7 1 1 A 48 48 ASN CB C 46 39.265 39.548 -0.283 1 1 530 . 7 1 1 A 49 49 ARG H H 47 7.923 8.422 -0.499 1 1 531 . 7 1 1 A 49 49 ARG HA H 47 4.368 4.231 0.137 1 1 538 . 7 1 1 A 49 49 ARG C C 47 175.601 175.903 -0.302 1 1 539 . 7 1 1 A 49 49 ARG CA C 47 57.051 55.782 1.269 1 1 540 . 7 1 1 A 49 49 ARG CB C 47 32.121 30.795 1.326 1 1 543 . 7 1 1 A 49 49 ARG N N 47 119.826 121.057 -1.231 1 1 544 . 7 1 1 A 50 50 GLN H H 48 8.547 8.521 0.026 1 1 545 . 7 1 1 A 50 50 GLN HA H 48 5.441 4.949 0.492 1 1 552 . 7 1 1 A 50 50 GLN C C 48 175.578 175.297 0.281 1 1 553 . 7 1 1 A 50 50 GLN CA C 48 55.125 54.411 0.714 1 1 554 . 7 1 1 A 50 50 GLN CB C 48 32.121 31.428 0.693 1 1 556 . 7 1 1 A 50 50 GLN N N 48 120.767 117.223 3.544 1 1 558 . 7 1 1 A 51 51 VAL H H 49 8.630 8.928 -0.298 1 1 559 . 7 1 1 A 51 51 VAL HA H 49 4.826 4.772 0.054 1 1 567 . 7 1 1 A 51 51 VAL C C 49 175.258 173.626 1.632 1 1 568 . 7 1 1 A 51 51 VAL CA C 49 59.338 59.124 0.214 1 1 569 . 7 1 1 A 51 51 VAL CB C 49 36.155 35.634 0.521 1 1 572 . 7 1 1 A 51 51 VAL N N 49 116.678 116.084 0.594 1 1 573 . 7 1 1 A 52 52 CYS H H 50 9.095 8.626 0.469 1 1 574 . 7 1 1 A 52 52 CYS HA H 50 5.278 5.313 -0.035 1 1 577 . 7 1 1 A 52 52 CYS C C 50 174.527 172.895 1.632 1 1 578 . 7 1 1 A 52 52 CYS CA C 50 58.054 54.545 3.509 1 1 579 . 7 1 1 A 52 52 CYS CB C 50 43.162 43.819 -0.657 1 1 580 . 7 1 1 A 52 52 CYS N N 50 124.549 120.232 4.317 1 1 581 . 7 1 1 A 53 53 ILE H H 51 8.485 9.661 -1.176 1 1 582 . 7 1 1 A 53 53 ILE HA H 51 4.973 4.703 0.270 1 1 592 . 7 1 1 A 53 53 ILE C C 51 173.019 174.813 -1.794 1 1 593 . 7 1 1 A 53 53 ILE CA C 51 58.897 59.935 -1.038 1 1 594 . 7 1 1 A 53 53 ILE CB C 51 42.201 40.805 1.396 1 1 598 . 7 1 1 A 53 53 ILE N N 51 122.581 124.961 -2.380 1 1 599 . 7 1 1 A 54 54 ASP H H 52 7.661 8.443 -0.782 1 1 600 . 7 1 1 A 54 54 ASP HA H 52 3.611 4.658 -1.047 1 1 603 . 7 1 1 A 54 54 ASP CA C 52 51.574 51.801 -0.227 1 1 604 . 7 1 1 A 54 54 ASP CB C 52 42.515 42.189 0.326 1 1 605 . 7 1 1 A 54 54 ASP N N 52 125.772 126.172 -0.400 1 1 606 . 7 1 1 A 55 55 PRO HA H 53 4.010 4.281 -0.271 1 1 613 . 7 1 1 A 55 55 PRO C C 53 176.126 177.209 -1.083 1 1 614 . 7 1 1 A 55 55 PRO CA C 53 63.993 63.972 0.021 1 1 615 . 7 1 1 A 55 55 PRO CB C 53 33.002 31.715 1.287 1 1 618 . 7 1 1 A 56 56 LYS H H 54 7.930 8.217 -0.287 1 1 619 . 7 1 1 A 56 56 LYS HA H 54 3.988 4.362 -0.374 1 1 628 . 7 1 1 A 56 56 LYS C C 54 177.931 176.461 1.470 1 1 629 . 7 1 1 A 56 56 LYS CA C 54 56.770 56.003 0.767 1 1 630 . 7 1 1 A 56 56 LYS CB C 54 32.023 32.931 -0.908 1 1 634 . 7 1 1 A 56 56 LYS N N 54 112.924 115.997 -3.073 1 1 635 . 7 1 1 A 57 57 LEU H H 55 7.161 7.077 0.084 1 1 636 . 7 1 1 A 57 57 LEU HA H 55 4.059 4.210 -0.151 1 1 646 . 7 1 1 A 57 57 LEU C C 55 179.416 177.780 1.636 1 1 647 . 7 1 1 A 57 57 LEU CA C 55 56.088 55.240 0.848 1 1 648 . 7 1 1 A 57 57 LEU CB C 55 42.191 41.922 0.269 1 1 652 . 7 1 1 A 57 57 LEU N N 55 120.593 121.595 -1.002 1 1 653 . 7 1 1 A 58 58 LYS H H 56 8.720 8.965 -0.245 1 1 654 . 7 1 1 A 58 58 LYS HA H 56 3.911 3.913 -0.002 1 1 663 . 7 1 1 A 58 58 LYS C C 56 178.937 178.329 0.608 1 1 664 . 7 1 1 A 58 58 LYS CA C 56 60.301 59.574 0.727 1 1 665 . 7 1 1 A 58 58 LYS CB C 56 32.121 32.114 0.007 1 1 669 . 7 1 1 A 58 58 LYS N N 56 125.479 124.410 1.069 1 1 670 . 7 1 1 A 59 59 TRP H H 57 7.811 8.357 -0.546 1 1 671 . 7 1 1 A 59 59 TRP HA H 57 4.664 4.554 0.110 1 1 680 . 7 1 1 A 59 59 TRP C C 57 178.868 179.478 -0.610 1 1 681 . 7 1 1 A 59 59 TRP CA C 57 58.897 59.766 -0.869 1 1 682 . 7 1 1 A 59 59 TRP CB C 57 28.036 28.138 -0.102 1 1 688 . 7 1 1 A 59 59 TRP N N 57 113.433 119.236 -5.803 1 1 690 . 7 1 1 A 60 60 ILE H H 58 6.461 7.526 -1.065 1 1 691 . 7 1 1 A 60 60 ILE HA H 58 3.304 3.410 -0.106 1 1 701 . 7 1 1 A 60 60 ILE C C 58 177.726 177.652 0.074 1 1 702 . 7 1 1 A 60 60 ILE CA C 58 64.314 64.225 0.089 1 1 703 . 7 1 1 A 60 60 ILE CB C 58 35.897 35.840 0.057 1 1 707 . 7 1 1 A 60 60 ILE N N 58 124.379 122.378 2.001 1 1 708 . 7 1 1 A 61 61 GLN H H 59 7.624 8.568 -0.944 1 1 709 . 7 1 1 A 61 61 GLN HA H 59 3.748 3.903 -0.155 1 1 716 . 7 1 1 A 61 61 GLN C C 59 178.434 178.866 -0.432 1 1 717 . 7 1 1 A 61 61 GLN CA C 59 59.379 59.418 -0.039 1 1 718 . 7 1 1 A 61 61 GLN CB C 59 28.272 28.337 -0.065 1 1 720 . 7 1 1 A 61 61 GLN N N 59 119.070 119.155 -0.085 1 1 722 . 7 1 1 A 62 62 GLU H H 60 8.064 8.146 -0.082 1 1 723 . 7 1 1 A 62 62 GLU HA H 60 4.083 4.109 -0.026 1 1 728 . 7 1 1 A 62 62 GLU C C 60 179.051 178.485 0.566 1 1 729 . 7 1 1 A 62 62 GLU CA C 60 59.659 59.153 0.506 1 1 730 . 7 1 1 A 62 62 GLU CB C 60 30.457 29.560 0.897 1 1 732 . 7 1 1 A 62 62 GLU N N 60 117.166 120.091 -2.925 1 1 733 . 7 1 1 A 63 63 TYR H H 61 7.924 7.977 -0.053 1 1 734 . 7 1 1 A 63 63 TYR HA H 61 4.254 4.252 0.002 1 1 741 . 7 1 1 A 63 63 TYR C C 61 178.617 177.318 1.299 1 1 742 . 7 1 1 A 63 63 TYR CA C 61 61.184 61.415 -0.231 1 1 743 . 7 1 1 A 63 63 TYR CB C 61 39.461 38.473 0.988 1 1 746 . 7 1 1 A 63 63 TYR N N 61 121.271 123.167 -1.896 1 1 747 . 7 1 1 A 64 64 LEU H H 62 8.260 9.076 -0.816 1 1 748 . 7 1 1 A 64 64 LEU HA H 62 3.954 3.939 0.015 1 1 758 . 7 1 1 A 64 64 LEU C C 62 179.553 178.926 0.627 1 1 759 . 7 1 1 A 64 64 LEU CA C 62 58.014 58.010 0.004 1 1 760 . 7 1 1 A 64 64 LEU CB C 62 42.191 41.391 0.800 1 1 764 . 7 1 1 A 64 64 LEU N N 62 116.299 120.013 -3.714 1 1 765 . 7 1 1 A 65 65 GLU H H 63 8.454 8.125 0.329 1 1 766 . 7 1 1 A 65 65 GLU HA H 63 3.840 3.907 -0.067 1 1 771 . 7 1 1 A 65 65 GLU C C 63 179.279 179.147 0.132 1 1 772 . 7 1 1 A 65 65 GLU CA C 63 60.301 59.926 0.375 1 1 773 . 7 1 1 A 65 65 GLU CB C 63 29.870 29.268 0.602 1 1 775 . 7 1 1 A 65 65 GLU N N 63 118.616 117.660 0.956 1 1 776 . 7 1 1 A 66 66 LYS H H 64 7.575 8.044 -0.469 1 1 777 . 7 1 1 A 66 66 LYS HA H 64 4.212 4.049 0.163 1 1 786 . 7 1 1 A 66 66 LYS C C 64 178.457 178.361 0.096 1 1 787 . 7 1 1 A 66 66 LYS CA C 64 58.496 58.967 -0.471 1 1 788 . 7 1 1 A 66 66 LYS CB C 64 32.400 31.950 0.450 1 1 792 . 7 1 1 A 66 66 LYS N N 64 117.166 118.023 -0.857 1 1 793 . 7 1 1 A 67 67 CYS H H 65 7.918 7.504 0.414 1 1 794 . 7 1 1 A 67 67 CYS HA H 65 4.526 4.272 0.254 1 1 797 . 7 1 1 A 67 67 CYS C C 65 174.893 177.821 -2.928 1 1 798 . 7 1 1 A 67 67 CYS CA C 65 56.329 61.429 -5.100 1 1 799 . 7 1 1 A 67 67 CYS CB C 65 45.235 27.415 17.820 1 1 800 . 7 1 1 A 67 67 CYS N N 65 115.330 118.653 -3.323 1 1 801 . 7 1 1 A 68 68 LEU H H 66 7.559 7.783 -0.224 1 1 802 . 7 1 1 A 68 68 LEU HA H 66 4.490 4.031 0.459 1 1 812 . 7 1 1 A 68 68 LEU C C 66 176.812 177.363 -0.551 1 1 813 . 7 1 1 A 68 68 LEU CA C 66 55.366 57.401 -2.035 1 1 814 . 7 1 1 A 68 68 LEU CB C 66 43.278 41.802 1.476 1 1 818 . 7 1 1 A 68 68 LEU N N 66 120.930 122.711 -1.781 1 1 819 . 7 1 1 A 69 69 ASN H H 67 8.265 7.412 0.853 1 1 820 . 7 1 1 A 69 69 ASN HA H 67 4.669 5.013 -0.344 1 1 825 . 7 1 1 A 69 69 ASN CA C 67 53.761 54.261 -0.500 1 1 826 . 7 1 1 A 69 69 ASN CB C 67 39.069 41.408 -2.339 1 1 827 . 7 1 1 A 69 69 ASN N N 67 120.279 116.386 3.893 1 1 852 . 7 2 2 B 4 4 GLU H H 102 8.329 8.637 -0.308 1 1 853 . 7 2 2 B 4 4 GLU HA H 102 4.282 4.814 -0.532 1 1 858 . 7 2 2 B 4 4 GLU C C 102 177.132 175.772 1.360 1 1 859 . 7 2 2 B 4 4 GLU CA C 102 57.410 54.977 2.433 1 1 861 . 7 2 2 B 4 4 GLU N N 102 121.884 123.323 -1.439 1 1 862 . 7 2 2 B 5 5 GLY H H 103 8.335 8.313 0.022 1 1 863 . 7 2 2 B 5 5 GLY HA2 H 103 3.941 4.347 -0.406 1 1 864 . 7 2 2 B 5 5 GLY HA3 H 103 3.941 4.347 -0.406 1 1 865 . 7 2 2 B 5 5 GLY C C 103 174.207 174.350 -0.143 1 1 866 . 7 2 2 B 5 5 GLY CA C 103 45.731 45.117 0.614 1 1 867 . 7 2 2 B 5 5 GLY N N 103 110.055 107.400 2.655 1 1 868 . 7 2 2 B 6 6 ILE H H 104 7.831 8.418 -0.587 1 1 869 . 7 2 2 B 6 6 ILE HA H 104 4.269 4.098 0.171 1 1 879 . 7 2 2 B 6 6 ILE C C 104 176.401 176.310 0.091 1 1 880 . 7 2 2 B 6 6 ILE CA C 104 61.558 62.875 -1.317 1 1 881 . 7 2 2 B 6 6 ILE CB C 104 39.436 38.100 1.336 1 1 885 . 7 2 2 B 6 6 ILE N N 104 119.606 119.739 -0.133 1 1 886 . 7 2 2 B 7 7 SER H H 105 8.324 8.031 0.293 1 1 887 . 7 2 2 B 7 7 SER HA H 105 4.535 4.851 -0.316 1 1 890 . 7 2 2 B 7 7 SER C C 105 174.550 174.168 0.382 1 1 891 . 7 2 2 B 7 7 SER CA C 105 58.667 56.341 2.326 1 1 892 . 7 2 2 B 7 7 SER CB C 105 64.072 66.400 -2.328 1 1 893 . 7 2 2 B 7 7 SER N N 105 119.717 112.517 7.200 1 1 937 . 7 2 2 B 11 11 SER H H 109 8.211 8.977 -0.766 1 1 938 . 7 2 2 B 11 11 SER HA H 109 4.507 4.701 -0.194 1 1 941 . 7 2 2 B 11 11 SER C C 109 174.504 173.649 0.855 1 1 942 . 7 2 2 B 11 11 SER CA C 109 58.919 58.977 -0.058 1 1 943 . 7 2 2 B 11 11 SER CB C 109 64.198 66.083 -1.885 1 1 944 . 7 2 2 B 11 11 SER N N 109 117.260 121.819 -4.559 1 1 945 . 7 2 2 B 12 12 ASP H H 110 8.323 8.122 0.201 1 1 946 . 7 2 2 B 12 12 ASP HA H 110 4.620 4.810 -0.190 1 1 949 . 7 2 2 B 12 12 ASP C C 110 176.058 176.592 -0.534 1 1 950 . 7 2 2 B 12 12 ASP CA C 110 55.022 52.762 2.260 1 1 951 . 7 2 2 B 12 12 ASP CB C 110 41.825 42.611 -0.786 1 1 952 . 7 2 2 B 12 12 ASP N N 110 122.020 121.116 0.904 1 1 986 . 7 2 2 B 16 16 GLU H H 114 8.378 7.900 0.478 1 1 987 . 7 2 2 B 16 16 GLU HA H 114 4.268 4.257 0.011 1 1 992 . 7 2 2 B 16 16 GLU C C 114 176.766 176.211 0.555 1 1 993 . 7 2 2 B 16 16 GLU CA C 114 57.410 56.548 0.862 1 1 994 . 7 2 2 B 16 16 GLU CB C 114 30.620 30.314 0.306 1 1 996 . 7 2 2 B 16 16 GLU N N 114 123.052 121.472 1.580 1 1 997 . 7 2 2 B 17 17 GLU H H 115 8.326 8.745 -0.419 1 1 998 . 7 2 2 B 17 17 GLU HA H 115 4.274 4.449 -0.175 1 1 1003 . 7 2 2 B 17 17 GLU C C 115 176.880 175.380 1.500 1 1 1004 . 7 2 2 B 17 17 GLU CA C 115 57.410 56.673 0.737 1 1 1005 . 7 2 2 B 17 17 GLU CB C 115 30.525 30.662 -0.137 1 1 1007 . 7 2 2 B 17 17 GLU N N 115 121.688 124.261 -2.573 1 1 1008 . 7 2 2 B 18 18 MET H H 116 8.309 8.531 -0.222 1 1 1009 . 7 2 2 B 18 18 MET HA H 116 4.473 5.144 -0.671 1 1 1014 . 7 2 2 B 18 18 MET C C 116 177.086 175.817 1.269 1 1 1015 . 7 2 2 B 18 18 MET CA C 116 56.279 54.015 2.264 1 1 1016 . 7 2 2 B 18 18 MET CB C 116 33.026 36.043 -3.017 1 1 1017 . 7 2 2 B 18 18 MET N N 116 121.270 123.321 -2.051 1 1 1018 . 7 2 2 B 19 19 GLY H H 117 8.335 8.465 -0.130 1 1 1019 . 7 2 2 B 19 19 GLY HA2 H 117 4.054 4.081 -0.027 1 1 1020 . 7 2 2 B 19 19 GLY HA3 H 117 4.054 4.081 -0.027 1 1 1021 . 7 2 2 B 19 19 GLY C C 117 174.481 174.897 -0.416 1 1 1022 . 7 2 2 B 19 19 GLY CA C 117 45.847 44.486 1.361 1 1 1023 . 7 2 2 B 19 19 GLY N N 117 110.055 112.985 -2.930 1 1 1024 . 7 2 2 B 20 20 SER H H 118 8.230 8.554 -0.324 1 1 1025 . 7 2 2 B 20 20 SER HA H 118 4.476 4.478 -0.002 1 1 1028 . 7 2 2 B 20 20 SER C C 118 175.327 174.116 1.211 1 1 1029 . 7 2 2 B 20 20 SER CA C 118 58.919 58.394 0.525 1 1 1030 . 7 2 2 B 20 20 SER CB C 118 64.575 63.471 1.104 1 1 1031 . 7 2 2 B 20 20 SER N N 118 115.664 115.998 -0.334 1 1 1032 . 7 2 2 B 21 21 GLY H H 119 8.354 7.677 0.677 1 1 1033 . 7 2 2 B 21 21 GLY HA2 H 119 3.941 4.039 -0.098 1 1 1034 . 7 2 2 B 21 21 GLY HA3 H 119 3.941 4.039 -0.098 1 1 1035 . 7 2 2 B 21 21 GLY C C 119 174.002 172.010 1.992 1 1 1036 . 7 2 2 B 21 21 GLY CA C 119 45.721 44.350 1.371 1 1 1037 . 7 2 2 B 21 21 GLY N N 119 110.872 108.701 2.171 1 1 1068 . 7 2 2 B 25 25 SER H H 123 8.155 8.212 -0.057 1 1 1069 . 7 2 2 B 25 25 SER HA H 123 4.391 4.118 0.273 1 1 1072 . 7 2 2 B 25 25 SER C C 123 175.075 173.241 1.834 1 1 1073 . 7 2 2 B 25 25 SER CA C 123 59.347 59.092 0.255 1 1 1074 . 7 2 2 B 25 25 SER CB C 123 63.879 61.769 2.110 1 1 1075 . 7 2 2 B 25 25 SER N N 123 116.126 113.859 2.267 1 1 1076 . 7 2 2 B 26 26 MET H H 124 8.221 7.506 0.715 1 1 1077 . 7 2 2 B 26 26 MET HA H 124 4.476 5.050 -0.574 1 1 1082 . 7 2 2 B 26 26 MET C C 124 176.355 174.980 1.375 1 1 1083 . 7 2 2 B 26 26 MET CA C 124 56.279 55.352 0.927 1 1 1084 . 7 2 2 B 26 26 MET CB C 124 32.900 34.820 -1.920 1 1 1086 . 7 2 2 B 26 26 MET N N 124 121.210 118.666 2.544 1 1 1087 . 7 2 2 B 27 27 LYS H H 125 8.025 8.725 -0.700 1 1 1088 . 7 2 2 B 27 27 LYS HA H 125 4.312 4.928 -0.616 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 54.605 2.051 1 1 1099 . 7 2 2 B 27 27 LYS CB C 125 33.529 37.135 -3.606 1 1 1103 . 7 2 2 B 27 27 LYS N N 125 121.457 123.154 -1.697 1 1 1104 . 7 2 2 B 28 28 GLU H H 126 8.222 8.744 -0.522 1 1 1105 . 7 2 2 B 28 28 GLU N N 126 122.740 119.833 2.907 1 1 1106 . 7 2 2 B 29 29 PRO HA H 127 4.355 4.767 -0.412 1 1 1113 . 7 2 2 B 29 29 PRO C C 127 176.812 175.726 1.086 1 1 1114 . 7 2 2 B 29 29 PRO CA C 127 63.821 62.669 1.152 1 1 1115 . 7 2 2 B 29 29 PRO CB C 127 32.272 33.201 -0.929 1 1 1118 . 7 2 2 B 30 30 ALA H H 128 8.267 8.489 -0.222 1 1 1119 . 7 2 2 B 30 30 ALA HA H 128 4.269 4.386 -0.117 1 1 1123 . 7 2 2 B 30 30 ALA C C 128 177.589 178.069 -0.480 1 1 1124 . 7 2 2 B 30 30 ALA CA C 128 52.873 53.029 -0.156 1 1 1125 . 7 2 2 B 30 30 ALA CB C 128 19.703 20.385 -0.682 1 1 1126 . 7 2 2 B 30 30 ALA N N 128 123.577 123.513 0.064 1 1 1127 . 7 2 2 B 31 31 PHE H H 129 8.019 8.264 -0.245 1 1 1128 . 7 2 2 B 31 31 PHE HA H 129 4.621 4.107 0.514 1 1 1136 . 7 2 2 B 31 31 PHE C C 129 175.624 173.949 1.675 1 1 1137 . 7 2 2 B 31 31 PHE CA C 129 58.039 59.045 -1.006 1 1 1138 . 7 2 2 B 31 31 PHE CB C 129 40.055 38.192 1.863 1 1 1142 . 7 2 2 B 31 31 PHE N N 129 118.994 116.821 2.173 1 1 1143 . 7 2 2 B 32 32 ARG H H 130 8.029 7.620 0.409 1 1 1144 . 7 2 2 B 32 32 ARG HA H 130 4.309 4.813 -0.504 1 1 1151 . 7 2 2 B 32 32 ARG C C 130 175.875 174.465 1.410 1 1 1152 . 7 2 2 B 32 32 ARG CA C 130 56.154 54.151 2.003 1 1 1153 . 7 2 2 B 32 32 ARG CB C 130 31.643 34.505 -2.862 1 1 1156 . 7 2 2 B 32 32 ARG N N 130 122.929 119.097 3.832 1 1 1157 . 7 2 2 B 33 33 GLU H H 131 8.374 8.608 -0.234 1 1 1158 . 7 2 2 B 33 33 GLU HA H 131 4.276 4.881 -0.605 1 1 1163 . 7 2 2 B 33 33 GLU C C 131 176.766 174.723 2.043 1 1 1164 . 7 2 2 B 33 33 GLU CA C 131 57.285 55.155 2.130 1 1 1165 . 7 2 2 B 33 33 GLU CB C 131 30.512 30.799 -0.287 1 1 1167 . 7 2 2 B 33 33 GLU N N 131 122.719 120.999 1.720 1 1 1168 . 7 2 2 B 34 34 GLU H H 132 8.509 8.666 -0.157 1 1 1169 . 7 2 2 B 34 34 GLU HA H 132 4.271 4.768 -0.497 1 1 1174 . 7 2 2 B 34 34 GLU C C 132 176.560 176.515 0.045 1 1 1175 . 7 2 2 B 34 34 GLU CA C 132 57.400 54.785 2.615 1 1 1176 . 7 2 2 B 34 34 GLU CB C 132 30.530 32.063 -1.533 1 1 1178 . 7 2 2 B 34 34 GLU N N 132 122.122 125.915 -3.793 1 1 1179 . 7 2 2 B 35 35 ASN H H 133 8.362 9.101 -0.739 1 1 1180 . 7 2 2 B 35 35 ASN HA H 133 4.693 4.502 0.191 1 1 1183 . 7 2 2 B 35 35 ASN C C 133 175.258 175.064 0.194 1 1 1184 . 7 2 2 B 35 35 ASN CA C 133 53.765 54.807 -1.042 1 1 1185 . 7 2 2 B 35 35 ASN CB C 133 39.562 37.983 1.579 1 1 1186 . 7 2 2 B 35 35 ASN N N 133 119.552 123.757 -4.205 1 1 1187 . 7 2 2 B 36 36 ALA H H 134 8.155 7.780 0.375 1 1 1188 . 7 2 2 B 36 36 ALA HA H 134 4.265 4.327 -0.062 1 1 1192 . 7 2 2 B 36 36 ALA C C 134 177.520 177.658 -0.138 1 1 1193 . 7 2 2 B 36 36 ALA CA C 134 52.873 52.011 0.862 1 1 1194 . 7 2 2 B 36 36 ALA CB C 134 19.703 19.561 0.142 1 1 1195 . 7 2 2 B 36 36 ALA N N 134 124.376 123.174 1.202 1 1 1196 . 7 2 2 B 37 37 ASN H H 135 8.210 8.723 -0.513 1 1 1197 . 7 2 2 B 37 37 ASN HA H 135 4.688 4.422 0.266 1 1 1200 . 7 2 2 B 37 37 ASN C C 135 175.144 175.406 -0.262 1 1 1201 . 7 2 2 B 37 37 ASN CA C 135 53.640 55.945 -2.305 1 1 1202 . 7 2 2 B 37 37 ASN CB C 135 39.311 39.990 -0.679 1 1 1203 . 7 2 2 B 37 37 ASN N N 135 117.103 122.323 -5.220 1 1 1204 . 7 2 2 B 38 38 PHE H H 136 7.997 7.838 0.159 1 1 1205 . 7 2 2 B 38 38 PHE HA H 136 4.623 5.064 -0.441 1 1 1212 . 7 2 2 B 38 38 PHE C C 136 175.601 175.469 0.132 1 1 1213 . 7 2 2 B 38 38 PHE CA C 136 58.165 56.856 1.309 1 1 1214 . 7 2 2 B 38 38 PHE CB C 136 39.939 43.068 -3.129 1 1 1217 . 7 2 2 B 38 38 PHE N N 136 120.229 114.550 5.679 1 1 1218 . 7 2 2 B 39 39 ASN H H 137 8.272 9.337 -1.065 1 1 1219 . 7 2 2 B 39 39 ASN HA H 137 4.702 4.774 -0.072 1 1 1222 . 7 2 2 B 39 39 ASN C C 137 174.047 175.685 -1.638 1 1 1223 . 7 2 2 B 39 39 ASN CA C 137 53.891 54.297 -0.406 1 1 1224 . 7 2 2 B 39 39 ASN CB C 137 39.688 39.331 0.357 1 1 1225 . 7 2 2 B 39 39 ASN N N 137 120.594 117.668 2.926 1 1 3 . 8 1 1 A 4 4 PRO HA H 2 4.510 4.883 -0.373 1 1 10 . 8 1 1 A 4 4 PRO C C 2 177.132 175.351 1.781 1 1 11 . 8 1 1 A 4 4 PRO CA C 2 63.529 62.341 1.188 1 1 12 . 8 1 1 A 4 4 PRO CB C 2 32.476 31.677 0.799 1 1 15 . 8 1 1 A 5 5 VAL H H 3 8.201 8.607 -0.406 1 1 16 . 8 1 1 A 5 5 VAL HA H 3 4.140 4.854 -0.714 1 1 24 . 8 1 1 A 5 5 VAL C C 3 176.423 173.740 2.683 1 1 25 . 8 1 1 A 5 5 VAL CA C 3 62.873 59.573 3.300 1 1 26 . 8 1 1 A 5 5 VAL CB C 3 33.455 35.690 -2.235 1 1 28 . 8 1 1 A 5 5 VAL N N 3 120.488 123.457 -2.969 1 1 29 . 8 1 1 A 6 6 SER H H 4 8.276 8.859 -0.583 1 1 30 . 8 1 1 A 6 6 SER HA H 4 4.487 5.075 -0.588 1 1 33 . 8 1 1 A 6 6 SER C C 4 174.687 174.006 0.681 1 1 34 . 8 1 1 A 6 6 SER CA C 4 58.375 57.813 0.562 1 1 35 . 8 1 1 A 6 6 SER CB C 4 64.295 64.232 0.063 1 1 36 . 8 1 1 A 6 6 SER N N 4 119.000 125.025 -6.025 1 1 37 . 8 1 1 A 7 7 LEU H H 5 8.238 8.727 -0.489 1 1 38 . 8 1 1 A 7 7 LEU HA H 5 4.397 4.655 -0.258 1 1 44 . 8 1 1 A 7 7 LEU C C 5 177.406 175.538 1.868 1 1 45 . 8 1 1 A 7 7 LEU CA C 5 55.766 53.915 1.851 1 1 46 . 8 1 1 A 7 7 LEU CB C 5 43.132 42.935 0.197 1 1 48 . 8 1 1 A 7 7 LEU N N 5 124.704 120.283 4.421 1 1 49 . 8 1 1 A 8 8 SER H H 6 8.148 7.628 0.520 1 1 50 . 8 1 1 A 8 8 SER HA H 6 4.438 4.805 -0.367 1 1 53 . 8 1 1 A 8 8 SER C C 6 174.321 172.937 1.384 1 1 54 . 8 1 1 A 8 8 SER CA C 6 58.718 57.579 1.139 1 1 55 . 8 1 1 A 8 8 SER CB C 6 64.295 66.771 -2.476 1 1 56 . 8 1 1 A 8 8 SER N N 6 115.960 114.110 1.850 1 1 57 . 8 1 1 A 9 9 TYR H H 7 7.915 8.683 -0.768 1 1 58 . 8 1 1 A 9 9 TYR HA H 7 4.585 4.745 -0.160 1 1 65 . 8 1 1 A 9 9 TYR C C 7 175.532 175.132 0.400 1 1 66 . 8 1 1 A 9 9 TYR CA C 7 58.335 57.901 0.434 1 1 67 . 8 1 1 A 9 9 TYR CB C 7 39.474 38.030 1.444 1 1 70 . 8 1 1 A 9 9 TYR N N 7 121.884 121.182 0.702 1 1 71 . 8 1 1 A 10 10 ARG H H 8 8.117 8.395 -0.278 1 1 72 . 8 1 1 A 10 10 ARG HA H 8 4.337 4.961 -0.624 1 1 79 . 8 1 1 A 10 10 ARG C C 8 175.898 174.380 1.518 1 1 80 . 8 1 1 A 10 10 ARG CA C 8 56.048 54.097 1.951 1 1 81 . 8 1 1 A 10 10 ARG CB C 8 31.492 33.870 -2.378 1 1 84 . 8 1 1 A 10 10 ARG N N 8 121.977 125.749 -3.772 1 1 85 . 8 1 1 A 11 11 CYS H H 9 8.127 8.625 -0.498 1 1 86 . 8 1 1 A 11 11 CYS HA H 9 4.984 4.945 0.039 1 1 89 . 8 1 1 A 11 11 CYS C C 9 177.771 173.875 3.896 1 1 90 . 8 1 1 A 11 11 CYS CA C 9 53.192 54.941 -1.749 1 1 91 . 8 1 1 A 11 11 CYS CB C 9 40.897 42.542 -1.645 1 1 92 . 8 1 1 A 11 11 CYS N N 9 121.209 121.935 -0.726 1 1 93 . 8 1 1 A 12 12 PRO HA H 10 4.321 4.350 -0.029 1 1 100 . 8 1 1 A 12 12 PRO CA C 10 65.478 65.561 -0.083 1 1 101 . 8 1 1 A 12 12 PRO CB C 10 32.904 31.281 1.623 1 1 104 . 8 1 1 A 13 13 CYS H H 11 8.633 7.812 0.821 1 1 105 . 8 1 1 A 13 13 CYS C C 11 174.618 173.116 1.502 1 1 106 . 8 1 1 A 13 13 CYS N N 11 114.595 115.465 -0.870 1 1 107 . 8 1 1 A 14 14 ARG H H 12 8.236 8.927 -0.691 1 1 108 . 8 1 1 A 14 14 ARG HA H 12 4.067 4.207 -0.140 1 1 115 . 8 1 1 A 14 14 ARG C C 12 175.098 175.940 -0.842 1 1 116 . 8 1 1 A 14 14 ARG CA C 12 57.370 57.617 -0.247 1 1 117 . 8 1 1 A 14 14 ARG CB C 12 31.631 30.731 0.900 1 1 120 . 8 1 1 A 14 14 ARG N N 12 122.779 123.768 -0.989 1 1 121 . 8 1 1 A 15 15 PHE H H 13 7.571 7.948 -0.377 1 1 122 . 8 1 1 A 15 15 PHE HA H 13 4.510 4.919 -0.409 1 1 129 . 8 1 1 A 15 15 PHE C C 13 174.162 174.933 -0.771 1 1 130 . 8 1 1 A 15 15 PHE CA C 13 56.289 56.354 -0.065 1 1 131 . 8 1 1 A 15 15 PHE CB C 13 41.320 41.493 -0.173 1 1 134 . 8 1 1 A 15 15 PHE N N 13 116.797 115.358 1.439 1 1 135 . 8 1 1 A 16 16 PHE H H 14 8.084 8.553 -0.469 1 1 136 . 8 1 1 A 16 16 PHE HA H 14 4.767 5.851 -1.084 1 1 143 . 8 1 1 A 16 16 PHE C C 14 175.441 173.312 2.129 1 1 144 . 8 1 1 A 16 16 PHE CA C 14 55.767 55.208 0.559 1 1 145 . 8 1 1 A 16 16 PHE CB C 14 41.320 42.685 -1.365 1 1 148 . 8 1 1 A 16 16 PHE N N 14 118.930 117.643 1.287 1 1 149 . 8 1 1 A 17 17 GLU H H 15 8.815 9.990 -1.175 1 1 150 . 8 1 1 A 17 17 GLU HA H 15 4.579 4.561 0.018 1 1 155 . 8 1 1 A 17 17 GLU C C 15 176.857 176.759 0.098 1 1 156 . 8 1 1 A 17 17 GLU CA C 15 56.289 57.250 -0.961 1 1 157 . 8 1 1 A 17 17 GLU CB C 15 31.173 29.967 1.206 1 1 159 . 8 1 1 A 17 17 GLU N N 15 122.929 120.785 2.144 1 1 160 . 8 1 1 A 18 18 SER H H 16 8.751 8.882 -0.131 1 1 161 . 8 1 1 A 18 18 SER HA H 16 4.762 4.802 -0.040 1 1 164 . 8 1 1 A 18 18 SER C C 16 177.497 173.562 3.935 1 1 165 . 8 1 1 A 18 18 SER CA C 16 59.328 58.687 0.641 1 1 166 . 8 1 1 A 18 18 SER CB C 16 64.515 64.066 0.449 1 1 167 . 8 1 1 A 18 18 SER N N 16 118.860 119.828 -0.968 1 1 168 . 8 1 1 A 19 19 HIS H H 17 8.761 7.753 1.008 1 1 169 . 8 1 1 A 19 19 HIS HA H 17 4.832 5.179 -0.347 1 1 174 . 8 1 1 A 19 19 HIS C C 17 174.618 173.641 0.977 1 1 175 . 8 1 1 A 19 19 HIS CA C 17 56.449 54.599 1.850 1 1 176 . 8 1 1 A 19 19 HIS CB C 17 30.214 30.702 -0.488 1 1 179 . 8 1 1 A 19 19 HIS N N 17 120.535 119.465 1.070 1 1 180 . 8 1 1 A 20 20 VAL H H 18 7.085 9.134 -2.049 1 1 181 . 8 1 1 A 20 20 VAL HA H 18 4.160 4.777 -0.617 1 1 189 . 8 1 1 A 20 20 VAL C C 18 174.436 173.791 0.645 1 1 190 . 8 1 1 A 20 20 VAL CA C 18 62.167 60.364 1.803 1 1 191 . 8 1 1 A 20 20 VAL CB C 18 34.426 35.979 -1.553 1 1 193 . 8 1 1 A 20 20 VAL N N 18 120.872 122.961 -2.089 1 1 194 . 8 1 1 A 21 21 ALA H H 19 8.521 8.691 -0.170 1 1 195 . 8 1 1 A 21 21 ALA HA H 19 4.367 4.298 0.069 1 1 199 . 8 1 1 A 21 21 ALA C C 19 177.657 178.400 -0.743 1 1 200 . 8 1 1 A 21 21 ALA CA C 19 51.193 52.431 -1.238 1 1 201 . 8 1 1 A 21 21 ALA CB C 19 19.790 18.869 0.921 1 1 202 . 8 1 1 A 21 21 ALA N N 19 131.339 129.174 2.165 1 1 203 . 8 1 1 A 22 22 ARG H H 20 7.790 8.327 -0.537 1 1 204 . 8 1 1 A 22 22 ARG HA H 20 2.451 3.027 -0.576 1 1 211 . 8 1 1 A 22 22 ARG C C 20 178.365 177.021 1.344 1 1 212 . 8 1 1 A 22 22 ARG CA C 20 59.379 57.780 1.599 1 1 213 . 8 1 1 A 22 22 ARG CB C 20 29.572 29.314 0.258 1 1 216 . 8 1 1 A 22 22 ARG N N 20 124.365 124.349 0.016 1 1 217 . 8 1 1 A 23 23 ALA H H 21 8.120 7.473 0.647 1 1 218 . 8 1 1 A 23 23 ALA HA H 21 4.060 4.083 -0.023 1 1 222 . 8 1 1 A 23 23 ALA C C 21 178.000 177.882 0.118 1 1 223 . 8 1 1 A 23 23 ALA CA C 21 54.100 53.199 0.901 1 1 224 . 8 1 1 A 23 23 ALA CB C 21 18.713 18.668 0.045 1 1 225 . 8 1 1 A 23 23 ALA N N 21 117.156 121.136 -3.980 1 1 226 . 8 1 1 A 24 24 ASN H H 22 7.707 7.995 -0.288 1 1 227 . 8 1 1 A 24 24 ASN HA H 22 5.010 4.844 0.166 1 1 232 . 8 1 1 A 24 24 ASN C C 22 174.938 174.832 0.106 1 1 233 . 8 1 1 A 24 24 ASN CA C 22 52.869 52.696 0.173 1 1 234 . 8 1 1 A 24 24 ASN CB C 22 40.573 39.493 1.080 1 1 235 . 8 1 1 A 24 24 ASN N N 22 112.819 115.221 -2.402 1 1 237 . 8 1 1 A 25 25 VAL H H 23 7.489 7.052 0.437 1 1 238 . 8 1 1 A 25 25 VAL HA H 23 4.888 4.153 0.735 1 1 246 . 8 1 1 A 25 25 VAL C C 23 175.829 175.490 0.339 1 1 247 . 8 1 1 A 25 25 VAL CA C 23 59.870 60.916 -1.046 1 1 248 . 8 1 1 A 25 25 VAL CB C 23 35.396 33.093 2.303 1 1 251 . 8 1 1 A 25 25 VAL N N 23 119.721 117.401 2.320 1 1 252 . 8 1 1 A 26 26 LYS H H 24 9.480 9.172 0.308 1 1 253 . 8 1 1 A 26 26 LYS HA H 24 4.353 4.487 -0.134 1 1 262 . 8 1 1 A 26 26 LYS C C 24 176.606 176.690 -0.084 1 1 263 . 8 1 1 A 26 26 LYS CA C 24 58.977 57.287 1.690 1 1 264 . 8 1 1 A 26 26 LYS CB C 24 34.567 33.634 0.933 1 1 268 . 8 1 1 A 26 26 LYS N N 24 127.843 123.515 4.328 1 1 269 . 8 1 1 A 27 27 HIS H H 25 7.237 7.741 -0.504 1 1 270 . 8 1 1 A 27 27 HIS HA H 25 4.979 5.143 -0.164 1 1 275 . 8 1 1 A 27 27 HIS C C 25 178.434 172.708 5.726 1 1 276 . 8 1 1 A 27 27 HIS CA C 25 55.406 54.569 0.837 1 1 277 . 8 1 1 A 27 27 HIS CB C 25 32.480 31.976 0.504 1 1 280 . 8 1 1 A 27 27 HIS N N 25 109.556 114.446 -4.890 1 1 281 . 8 1 1 A 28 28 LEU H H 26 8.189 8.946 -0.757 1 1 282 . 8 1 1 A 28 28 LEU HA H 26 5.190 5.207 -0.017 1 1 292 . 8 1 1 A 28 28 LEU C C 26 175.510 175.590 -0.080 1 1 293 . 8 1 1 A 28 28 LEU CA C 26 53.480 53.536 -0.056 1 1 294 . 8 1 1 A 28 28 LEU CB C 26 45.235 45.322 -0.087 1 1 298 . 8 1 1 A 28 28 LEU N N 26 117.260 119.846 -2.586 1 1 299 . 8 1 1 A 29 29 LYS H H 27 9.572 9.135 0.437 1 1 300 . 8 1 1 A 29 29 LYS HA H 27 5.372 5.251 0.121 1 1 309 . 8 1 1 A 29 29 LYS C C 27 174.801 174.690 0.111 1 1 310 . 8 1 1 A 29 29 LYS CA C 27 55.165 54.756 0.409 1 1 311 . 8 1 1 A 29 29 LYS CB C 27 35.253 35.652 -0.399 1 1 315 . 8 1 1 A 29 29 LYS N N 27 123.488 123.776 -0.288 1 1 316 . 8 1 1 A 30 30 ILE H H 28 9.136 8.905 0.231 1 1 317 . 8 1 1 A 30 30 ILE HA H 28 4.924 4.957 -0.033 1 1 327 . 8 1 1 A 30 30 ILE C C 28 176.949 175.006 1.943 1 1 328 . 8 1 1 A 30 30 ILE CA C 28 60.542 58.895 1.647 1 1 329 . 8 1 1 A 30 30 ILE CB C 28 39.600 38.543 1.057 1 1 333 . 8 1 1 A 30 30 ILE N N 28 123.846 127.529 -3.683 1 1 334 . 8 1 1 A 31 31 LEU H H 29 8.805 9.608 -0.803 1 1 335 . 8 1 1 A 31 31 LEU HA H 29 4.535 5.036 -0.501 1 1 344 . 8 1 1 A 31 31 LEU C C 29 176.012 175.031 0.981 1 1 345 . 8 1 1 A 31 31 LEU CA C 29 55.366 53.339 2.027 1 1 346 . 8 1 1 A 31 31 LEU CB C 29 43.180 43.615 -0.435 1 1 349 . 8 1 1 A 31 31 LEU N N 29 128.649 127.756 0.893 1 1 350 . 8 1 1 A 32 32 ASN H H 30 8.216 8.862 -0.646 1 1 351 . 8 1 1 A 32 32 ASN HA H 30 5.005 5.000 0.005 1 1 356 . 8 1 1 A 32 32 ASN C C 30 174.664 174.265 0.399 1 1 357 . 8 1 1 A 32 32 ASN CA C 30 52.517 52.391 0.126 1 1 358 . 8 1 1 A 32 32 ASN CB C 30 38.776 38.981 -0.205 1 1 359 . 8 1 1 A 32 32 ASN N N 30 120.791 123.859 -3.068 1 1 361 . 8 1 1 A 33 33 THR H H 31 7.883 8.709 -0.826 1 1 362 . 8 1 1 A 33 33 THR HA H 31 4.842 5.034 -0.192 1 1 367 . 8 1 1 A 33 33 THR CA C 31 58.369 58.912 -0.543 1 1 368 . 8 1 1 A 33 33 THR CB C 31 70.018 69.860 0.158 1 1 370 . 8 1 1 A 33 33 THR N N 31 115.811 116.864 -1.053 1 1 371 . 8 1 1 A 34 34 PRO HA H 32 4.317 4.345 -0.028 1 1 378 . 8 1 1 A 34 34 PRO CA C 32 65.164 65.638 -0.474 1 1 379 . 8 1 1 A 34 34 PRO CB C 32 32.484 31.698 0.786 1 1 382 . 8 1 1 A 35 35 ASN H H 33 8.259 8.187 0.072 1 1 383 . 8 1 1 A 35 35 ASN HA H 33 4.651 4.926 -0.275 1 1 388 . 8 1 1 A 35 35 ASN C C 33 174.710 174.814 -0.104 1 1 389 . 8 1 1 A 35 35 ASN CA C 33 54.532 52.457 2.075 1 1 390 . 8 1 1 A 35 35 ASN CB C 33 39.167 38.697 0.470 1 1 391 . 8 1 1 A 35 35 ASN N N 33 120.081 113.976 6.105 1 1 393 . 8 1 1 A 36 36 CYS H H 34 7.569 7.576 -0.007 1 1 394 . 8 1 1 A 36 36 CYS HA H 34 4.675 4.943 -0.268 1 1 397 . 8 1 1 A 36 36 CYS C C 34 173.865 173.941 -0.076 1 1 398 . 8 1 1 A 36 36 CYS CA C 34 55.447 54.601 0.846 1 1 399 . 8 1 1 A 36 36 CYS CB C 34 45.228 46.370 -1.142 1 1 400 . 8 1 1 A 36 36 CYS N N 34 117.076 117.507 -0.431 1 1 401 . 8 1 1 A 37 37 ALA H H 35 8.472 8.404 0.068 1 1 402 . 8 1 1 A 37 37 ALA HA H 35 4.223 4.088 0.135 1 1 406 . 8 1 1 A 37 37 ALA C C 35 176.423 177.219 -0.796 1 1 407 . 8 1 1 A 37 37 ALA CA C 35 53.537 55.336 -1.799 1 1 408 . 8 1 1 A 37 37 ALA CB C 35 19.202 19.392 -0.190 1 1 409 . 8 1 1 A 37 37 ALA N N 35 125.153 124.234 0.919 1 1 410 . 8 1 1 A 38 38 CYS H H 36 8.316 7.481 0.835 1 1 411 . 8 1 1 A 38 38 CYS HA H 36 4.196 4.636 -0.440 1 1 414 . 8 1 1 A 38 38 CYS C C 36 173.705 172.278 1.427 1 1 415 . 8 1 1 A 38 38 CYS CA C 36 58.616 58.497 0.119 1 1 416 . 8 1 1 A 38 38 CYS CB C 36 45.705 31.245 14.460 1 1 417 . 8 1 1 A 38 38 CYS N N 36 118.837 112.603 6.234 1 1 418 . 8 1 1 A 39 39 GLN H H 37 8.928 8.627 0.301 1 1 419 . 8 1 1 A 39 39 GLN HA H 37 4.596 4.811 -0.215 1 1 426 . 8 1 1 A 39 39 GLN C C 37 173.636 174.968 -1.332 1 1 427 . 8 1 1 A 39 39 GLN CA C 37 54.603 54.892 -0.289 1 1 428 . 8 1 1 A 39 39 GLN CB C 37 31.761 29.344 2.417 1 1 430 . 8 1 1 A 39 39 GLN N N 37 128.567 125.410 3.157 1 1 432 . 8 1 1 A 40 40 ILE H H 38 8.851 8.916 -0.065 1 1 433 . 8 1 1 A 40 40 ILE HA H 38 5.087 5.245 -0.158 1 1 443 . 8 1 1 A 40 40 ILE C C 38 174.390 175.111 -0.721 1 1 444 . 8 1 1 A 40 40 ILE CA C 38 60.582 59.746 0.836 1 1 445 . 8 1 1 A 40 40 ILE CB C 38 40.048 38.571 1.477 1 1 449 . 8 1 1 A 40 40 ILE N N 38 123.962 126.464 -2.502 1 1 450 . 8 1 1 A 41 41 VAL H H 39 9.090 9.516 -0.426 1 1 451 . 8 1 1 A 41 41 VAL HA H 39 4.822 4.871 -0.049 1 1 459 . 8 1 1 A 41 41 VAL C C 39 175.487 175.062 0.425 1 1 460 . 8 1 1 A 41 41 VAL CA C 39 59.980 61.218 -1.238 1 1 461 . 8 1 1 A 41 41 VAL CB C 39 35.868 34.027 1.841 1 1 464 . 8 1 1 A 41 41 VAL N N 39 126.354 129.029 -2.675 1 1 465 . 8 1 1 A 42 42 ALA H H 40 9.513 9.401 0.112 1 1 466 . 8 1 1 A 42 42 ALA HA H 40 5.137 5.108 0.029 1 1 470 . 8 1 1 A 42 42 ALA C C 40 175.944 175.631 0.313 1 1 471 . 8 1 1 A 42 42 ALA CA C 40 50.591 50.277 0.314 1 1 472 . 8 1 1 A 42 42 ALA CB C 40 22.432 23.248 -0.816 1 1 473 . 8 1 1 A 42 42 ALA N N 40 128.406 128.923 -0.517 1 1 474 . 8 1 1 A 43 43 ARG H H 41 7.720 8.309 -0.589 1 1 475 . 8 1 1 A 43 43 ARG HA H 41 4.959 4.625 0.334 1 1 482 . 8 1 1 A 43 43 ARG C C 41 175.510 175.775 -0.265 1 1 483 . 8 1 1 A 43 43 ARG CA C 41 54.162 55.471 -1.309 1 1 484 . 8 1 1 A 43 43 ARG CB C 41 31.200 31.419 -0.219 1 1 487 . 8 1 1 A 43 43 ARG N N 41 121.795 120.843 0.952 1 1 488 . 8 1 1 A 44 44 LEU H H 42 9.164 8.152 1.012 1 1 489 . 8 1 1 A 44 44 LEU HA H 42 5.021 4.557 0.464 1 1 499 . 8 1 1 A 44 44 LEU C C 42 177.840 177.430 0.410 1 1 500 . 8 1 1 A 44 44 LEU CA C 42 54.724 54.445 0.279 1 1 501 . 8 1 1 A 44 44 LEU CB C 42 41.712 42.186 -0.474 1 1 505 . 8 1 1 A 44 44 LEU N N 42 129.087 124.237 4.850 1 1 506 . 8 1 1 A 45 45 LYS H H 43 8.396 8.377 0.019 1 1 507 . 8 1 1 A 45 45 LYS HA H 43 3.950 4.167 -0.217 1 1 516 . 8 1 1 A 45 45 LYS CA C 43 59.016 57.286 1.730 1 1 517 . 8 1 1 A 45 45 LYS CB C 43 34.102 32.758 1.344 1 1 520 . 8 1 1 A 45 45 LYS N N 43 119.674 121.466 -1.792 1 1 521 . 8 1 1 A 48 48 ASN HA H 46 4.709 5.002 -0.293 1 1 526 . 8 1 1 A 48 48 ASN C C 46 175.098 175.284 -0.186 1 1 527 . 8 1 1 A 48 48 ASN CA C 46 54.764 51.507 3.257 1 1 528 . 8 1 1 A 48 48 ASN CB C 46 39.265 40.763 -1.498 1 1 530 . 8 1 1 A 49 49 ARG H H 47 7.923 8.245 -0.322 1 1 531 . 8 1 1 A 49 49 ARG HA H 47 4.368 4.541 -0.173 1 1 538 . 8 1 1 A 49 49 ARG C C 47 175.601 175.624 -0.023 1 1 539 . 8 1 1 A 49 49 ARG CA C 47 57.051 54.797 2.254 1 1 540 . 8 1 1 A 49 49 ARG CB C 47 32.121 31.193 0.928 1 1 543 . 8 1 1 A 49 49 ARG N N 47 119.826 119.489 0.337 1 1 544 . 8 1 1 A 50 50 GLN H H 48 8.547 8.400 0.147 1 1 545 . 8 1 1 A 50 50 GLN HA H 48 5.441 5.055 0.386 1 1 552 . 8 1 1 A 50 50 GLN C C 48 175.578 175.264 0.314 1 1 553 . 8 1 1 A 50 50 GLN CA C 48 55.125 54.138 0.987 1 1 554 . 8 1 1 A 50 50 GLN CB C 48 32.121 31.560 0.561 1 1 556 . 8 1 1 A 50 50 GLN N N 48 120.767 118.370 2.397 1 1 558 . 8 1 1 A 51 51 VAL H H 49 8.630 9.163 -0.533 1 1 559 . 8 1 1 A 51 51 VAL HA H 49 4.826 4.867 -0.041 1 1 567 . 8 1 1 A 51 51 VAL C C 49 175.258 174.066 1.192 1 1 568 . 8 1 1 A 51 51 VAL CA C 49 59.338 59.554 -0.216 1 1 569 . 8 1 1 A 51 51 VAL CB C 49 36.155 34.797 1.358 1 1 572 . 8 1 1 A 51 51 VAL N N 49 116.678 117.033 -0.355 1 1 573 . 8 1 1 A 52 52 CYS H H 50 9.095 8.826 0.269 1 1 574 . 8 1 1 A 52 52 CYS HA H 50 5.278 5.368 -0.090 1 1 577 . 8 1 1 A 52 52 CYS C C 50 174.527 173.155 1.372 1 1 578 . 8 1 1 A 52 52 CYS CA C 50 58.054 54.683 3.371 1 1 579 . 8 1 1 A 52 52 CYS CB C 50 43.162 43.596 -0.434 1 1 580 . 8 1 1 A 52 52 CYS N N 50 124.549 119.719 4.830 1 1 581 . 8 1 1 A 53 53 ILE H H 51 8.485 9.559 -1.074 1 1 582 . 8 1 1 A 53 53 ILE HA H 51 4.973 4.766 0.207 1 1 592 . 8 1 1 A 53 53 ILE C C 51 173.019 175.163 -2.144 1 1 593 . 8 1 1 A 53 53 ILE CA C 51 58.897 60.248 -1.351 1 1 594 . 8 1 1 A 53 53 ILE CB C 51 42.201 40.524 1.677 1 1 598 . 8 1 1 A 53 53 ILE N N 51 122.581 125.901 -3.320 1 1 599 . 8 1 1 A 54 54 ASP H H 52 7.661 8.699 -1.038 1 1 600 . 8 1 1 A 54 54 ASP HA H 52 3.611 3.756 -0.145 1 1 603 . 8 1 1 A 54 54 ASP CA C 52 51.574 51.845 -0.271 1 1 604 . 8 1 1 A 54 54 ASP CB C 52 42.515 41.911 0.604 1 1 605 . 8 1 1 A 54 54 ASP N N 52 125.772 126.275 -0.503 1 1 606 . 8 1 1 A 55 55 PRO HA H 53 4.010 4.384 -0.374 1 1 613 . 8 1 1 A 55 55 PRO C C 53 176.126 175.801 0.325 1 1 614 . 8 1 1 A 55 55 PRO CA C 53 63.993 63.969 0.024 1 1 615 . 8 1 1 A 55 55 PRO CB C 53 33.002 31.558 1.444 1 1 618 . 8 1 1 A 56 56 LYS H H 54 7.930 7.747 0.183 1 1 619 . 8 1 1 A 56 56 LYS HA H 54 3.988 4.853 -0.865 1 1 628 . 8 1 1 A 56 56 LYS C C 54 177.931 175.697 2.234 1 1 629 . 8 1 1 A 56 56 LYS CA C 54 56.770 55.183 1.587 1 1 630 . 8 1 1 A 56 56 LYS CB C 54 32.023 32.835 -0.812 1 1 634 . 8 1 1 A 56 56 LYS N N 54 112.924 116.745 -3.821 1 1 635 . 8 1 1 A 57 57 LEU H H 55 7.161 7.143 0.018 1 1 636 . 8 1 1 A 57 57 LEU HA H 55 4.059 4.048 0.011 1 1 646 . 8 1 1 A 57 57 LEU C C 55 179.416 177.430 1.986 1 1 647 . 8 1 1 A 57 57 LEU CA C 55 56.088 55.479 0.609 1 1 648 . 8 1 1 A 57 57 LEU CB C 55 42.191 43.043 -0.852 1 1 652 . 8 1 1 A 57 57 LEU N N 55 120.593 123.747 -3.154 1 1 653 . 8 1 1 A 58 58 LYS H H 56 8.720 8.946 -0.226 1 1 654 . 8 1 1 A 58 58 LYS HA H 56 3.911 3.837 0.074 1 1 663 . 8 1 1 A 58 58 LYS C C 56 178.937 177.954 0.983 1 1 664 . 8 1 1 A 58 58 LYS CA C 56 60.301 59.811 0.490 1 1 665 . 8 1 1 A 58 58 LYS CB C 56 32.121 32.219 -0.098 1 1 669 . 8 1 1 A 58 58 LYS N N 56 125.479 126.425 -0.946 1 1 670 . 8 1 1 A 59 59 TRP H H 57 7.811 8.348 -0.537 1 1 671 . 8 1 1 A 59 59 TRP HA H 57 4.664 4.473 0.191 1 1 680 . 8 1 1 A 59 59 TRP C C 57 178.868 179.434 -0.566 1 1 681 . 8 1 1 A 59 59 TRP CA C 57 58.897 59.905 -1.008 1 1 682 . 8 1 1 A 59 59 TRP CB C 57 28.036 28.028 0.008 1 1 688 . 8 1 1 A 59 59 TRP N N 57 113.433 118.741 -5.308 1 1 690 . 8 1 1 A 60 60 ILE H H 58 6.461 7.327 -0.866 1 1 691 . 8 1 1 A 60 60 ILE HA H 58 3.304 3.359 -0.055 1 1 701 . 8 1 1 A 60 60 ILE C C 58 177.726 177.770 -0.044 1 1 702 . 8 1 1 A 60 60 ILE CA C 58 64.314 64.935 -0.621 1 1 703 . 8 1 1 A 60 60 ILE CB C 58 35.897 37.356 -1.459 1 1 707 . 8 1 1 A 60 60 ILE N N 58 124.379 122.317 2.062 1 1 708 . 8 1 1 A 61 61 GLN H H 59 7.624 8.087 -0.463 1 1 709 . 8 1 1 A 61 61 GLN HA H 59 3.748 3.884 -0.136 1 1 716 . 8 1 1 A 61 61 GLN C C 59 178.434 179.260 -0.826 1 1 717 . 8 1 1 A 61 61 GLN CA C 59 59.379 59.281 0.098 1 1 718 . 8 1 1 A 61 61 GLN CB C 59 28.272 28.388 -0.116 1 1 720 . 8 1 1 A 61 61 GLN N N 59 119.070 118.495 0.575 1 1 722 . 8 1 1 A 62 62 GLU H H 60 8.064 8.568 -0.504 1 1 723 . 8 1 1 A 62 62 GLU HA H 60 4.083 4.093 -0.010 1 1 728 . 8 1 1 A 62 62 GLU C C 60 179.051 178.521 0.530 1 1 729 . 8 1 1 A 62 62 GLU CA C 60 59.659 59.067 0.592 1 1 730 . 8 1 1 A 62 62 GLU CB C 60 30.457 29.436 1.021 1 1 732 . 8 1 1 A 62 62 GLU N N 60 117.166 120.359 -3.193 1 1 733 . 8 1 1 A 63 63 TYR H H 61 7.924 8.239 -0.315 1 1 734 . 8 1 1 A 63 63 TYR HA H 61 4.254 4.273 -0.019 1 1 741 . 8 1 1 A 63 63 TYR C C 61 178.617 177.418 1.199 1 1 742 . 8 1 1 A 63 63 TYR CA C 61 61.184 61.497 -0.313 1 1 743 . 8 1 1 A 63 63 TYR CB C 61 39.461 38.514 0.947 1 1 746 . 8 1 1 A 63 63 TYR N N 61 121.271 122.988 -1.717 1 1 747 . 8 1 1 A 64 64 LEU H H 62 8.260 9.103 -0.843 1 1 748 . 8 1 1 A 64 64 LEU HA H 62 3.954 3.972 -0.018 1 1 758 . 8 1 1 A 64 64 LEU C C 62 179.553 179.067 0.486 1 1 759 . 8 1 1 A 64 64 LEU CA C 62 58.014 58.236 -0.222 1 1 760 . 8 1 1 A 64 64 LEU CB C 62 42.191 41.404 0.787 1 1 764 . 8 1 1 A 64 64 LEU N N 62 116.299 120.296 -3.997 1 1 765 . 8 1 1 A 65 65 GLU H H 63 8.454 8.657 -0.203 1 1 766 . 8 1 1 A 65 65 GLU HA H 63 3.840 3.925 -0.085 1 1 771 . 8 1 1 A 65 65 GLU C C 63 179.279 179.169 0.110 1 1 772 . 8 1 1 A 65 65 GLU CA C 63 60.301 59.868 0.433 1 1 773 . 8 1 1 A 65 65 GLU CB C 63 29.870 29.223 0.647 1 1 775 . 8 1 1 A 65 65 GLU N N 63 118.616 117.479 1.137 1 1 776 . 8 1 1 A 66 66 LYS H H 64 7.575 7.724 -0.149 1 1 777 . 8 1 1 A 66 66 LYS HA H 64 4.212 4.070 0.142 1 1 786 . 8 1 1 A 66 66 LYS C C 64 178.457 178.704 -0.247 1 1 787 . 8 1 1 A 66 66 LYS CA C 64 58.496 59.200 -0.704 1 1 788 . 8 1 1 A 66 66 LYS CB C 64 32.400 32.027 0.373 1 1 792 . 8 1 1 A 66 66 LYS N N 64 117.166 118.483 -1.317 1 1 793 . 8 1 1 A 67 67 CYS H H 65 7.918 8.236 -0.318 1 1 794 . 8 1 1 A 67 67 CYS HA H 65 4.526 3.971 0.555 1 1 797 . 8 1 1 A 67 67 CYS C C 65 174.893 177.207 -2.314 1 1 798 . 8 1 1 A 67 67 CYS CA C 65 56.329 62.347 -6.018 1 1 799 . 8 1 1 A 67 67 CYS CB C 65 45.235 27.064 18.171 1 1 800 . 8 1 1 A 67 67 CYS N N 65 115.330 118.606 -3.276 1 1 801 . 8 1 1 A 68 68 LEU H H 66 7.559 7.946 -0.387 1 1 802 . 8 1 1 A 68 68 LEU HA H 66 4.490 4.028 0.462 1 1 812 . 8 1 1 A 68 68 LEU C C 66 176.812 177.928 -1.116 1 1 813 . 8 1 1 A 68 68 LEU CA C 66 55.366 57.765 -2.399 1 1 814 . 8 1 1 A 68 68 LEU CB C 66 43.278 41.723 1.555 1 1 818 . 8 1 1 A 68 68 LEU N N 66 120.930 122.183 -1.253 1 1 819 . 8 1 1 A 69 69 ASN H H 67 8.265 7.586 0.679 1 1 820 . 8 1 1 A 69 69 ASN HA H 67 4.669 5.021 -0.352 1 1 825 . 8 1 1 A 69 69 ASN CA C 67 53.761 52.716 1.045 1 1 826 . 8 1 1 A 69 69 ASN CB C 67 39.069 39.084 -0.015 1 1 827 . 8 1 1 A 69 69 ASN N N 67 120.279 114.988 5.291 1 1 852 . 8 2 2 B 4 4 GLU H H 102 8.329 7.819 0.510 1 1 853 . 8 2 2 B 4 4 GLU HA H 102 4.282 4.323 -0.041 1 1 858 . 8 2 2 B 4 4 GLU C C 102 177.132 177.244 -0.112 1 1 859 . 8 2 2 B 4 4 GLU CA C 102 57.410 56.815 0.595 1 1 861 . 8 2 2 B 4 4 GLU N N 102 121.884 121.050 0.834 1 1 862 . 8 2 2 B 5 5 GLY H H 103 8.335 8.766 -0.431 1 1 863 . 8 2 2 B 5 5 GLY HA2 H 103 3.941 3.960 -0.019 1 1 864 . 8 2 2 B 5 5 GLY HA3 H 103 3.941 3.960 -0.019 1 1 865 . 8 2 2 B 5 5 GLY C C 103 174.207 174.968 -0.761 1 1 866 . 8 2 2 B 5 5 GLY CA C 103 45.731 45.252 0.479 1 1 867 . 8 2 2 B 5 5 GLY N N 103 110.055 113.552 -3.497 1 1 868 . 8 2 2 B 6 6 ILE H H 104 7.831 7.619 0.212 1 1 869 . 8 2 2 B 6 6 ILE HA H 104 4.269 3.974 0.295 1 1 879 . 8 2 2 B 6 6 ILE C C 104 176.401 175.931 0.470 1 1 880 . 8 2 2 B 6 6 ILE CA C 104 61.558 64.150 -2.592 1 1 881 . 8 2 2 B 6 6 ILE CB C 104 39.436 38.785 0.651 1 1 885 . 8 2 2 B 6 6 ILE N N 104 119.606 120.207 -0.601 1 1 886 . 8 2 2 B 7 7 SER H H 105 8.324 7.936 0.388 1 1 887 . 8 2 2 B 7 7 SER HA H 105 4.535 4.855 -0.320 1 1 890 . 8 2 2 B 7 7 SER C C 105 174.550 173.171 1.379 1 1 891 . 8 2 2 B 7 7 SER CA C 105 58.667 58.083 0.584 1 1 892 . 8 2 2 B 7 7 SER CB C 105 64.072 62.855 1.217 1 1 893 . 8 2 2 B 7 7 SER N N 105 119.717 117.570 2.147 1 1 937 . 8 2 2 B 11 11 SER H H 109 8.211 8.751 -0.540 1 1 938 . 8 2 2 B 11 11 SER HA H 109 4.507 4.713 -0.206 1 1 941 . 8 2 2 B 11 11 SER C C 109 174.504 172.844 1.660 1 1 942 . 8 2 2 B 11 11 SER CA C 109 58.919 57.615 1.304 1 1 943 . 8 2 2 B 11 11 SER CB C 109 64.198 62.223 1.975 1 1 944 . 8 2 2 B 11 11 SER N N 109 117.260 120.024 -2.764 1 1 945 . 8 2 2 B 12 12 ASP H H 110 8.323 8.575 -0.252 1 1 946 . 8 2 2 B 12 12 ASP HA H 110 4.620 4.783 -0.163 1 1 949 . 8 2 2 B 12 12 ASP C C 110 176.058 175.713 0.345 1 1 950 . 8 2 2 B 12 12 ASP CA C 110 55.022 52.826 2.196 1 1 951 . 8 2 2 B 12 12 ASP CB C 110 41.825 40.346 1.479 1 1 952 . 8 2 2 B 12 12 ASP N N 110 122.020 126.701 -4.681 1 1 986 . 8 2 2 B 16 16 GLU H H 114 8.378 8.733 -0.355 1 1 987 . 8 2 2 B 16 16 GLU HA H 114 4.268 4.734 -0.466 1 1 992 . 8 2 2 B 16 16 GLU C C 114 176.766 175.020 1.746 1 1 993 . 8 2 2 B 16 16 GLU CA C 114 57.410 54.824 2.586 1 1 994 . 8 2 2 B 16 16 GLU CB C 114 30.620 31.037 -0.417 1 1 996 . 8 2 2 B 16 16 GLU N N 114 123.052 125.456 -2.404 1 1 997 . 8 2 2 B 17 17 GLU H H 115 8.326 8.811 -0.485 1 1 998 . 8 2 2 B 17 17 GLU HA H 115 4.274 5.171 -0.897 1 1 1003 . 8 2 2 B 17 17 GLU C C 115 176.880 174.924 1.956 1 1 1004 . 8 2 2 B 17 17 GLU CA C 115 57.410 55.039 2.371 1 1 1005 . 8 2 2 B 17 17 GLU CB C 115 30.525 31.755 -1.230 1 1 1007 . 8 2 2 B 17 17 GLU N N 115 121.688 124.472 -2.784 1 1 1008 . 8 2 2 B 18 18 MET H H 116 8.309 9.111 -0.802 1 1 1009 . 8 2 2 B 18 18 MET HA H 116 4.473 4.775 -0.302 1 1 1014 . 8 2 2 B 18 18 MET C C 116 177.086 175.452 1.634 1 1 1015 . 8 2 2 B 18 18 MET CA C 116 56.279 54.099 2.180 1 1 1016 . 8 2 2 B 18 18 MET CB C 116 33.026 32.588 0.438 1 1 1017 . 8 2 2 B 18 18 MET N N 116 121.270 125.028 -3.758 1 1 1018 . 8 2 2 B 19 19 GLY H H 117 8.335 9.066 -0.731 1 1 1019 . 8 2 2 B 19 19 GLY HA2 H 117 4.054 3.987 0.067 1 1 1020 . 8 2 2 B 19 19 GLY HA3 H 117 4.054 3.987 0.067 1 1 1021 . 8 2 2 B 19 19 GLY C C 117 174.481 173.913 0.568 1 1 1022 . 8 2 2 B 19 19 GLY CA C 117 45.847 45.683 0.164 1 1 1023 . 8 2 2 B 19 19 GLY N N 117 110.055 114.290 -4.235 1 1 1024 . 8 2 2 B 20 20 SER H H 118 8.230 8.214 0.016 1 1 1025 . 8 2 2 B 20 20 SER HA H 118 4.476 4.788 -0.312 1 1 1028 . 8 2 2 B 20 20 SER C C 118 175.327 174.879 0.448 1 1 1029 . 8 2 2 B 20 20 SER CA C 118 58.919 57.651 1.268 1 1 1030 . 8 2 2 B 20 20 SER CB C 118 64.575 63.773 0.802 1 1 1031 . 8 2 2 B 20 20 SER N N 118 115.664 119.528 -3.864 1 1 1032 . 8 2 2 B 21 21 GLY H H 119 8.354 8.633 -0.279 1 1 1033 . 8 2 2 B 21 21 GLY HA2 H 119 3.941 4.283 -0.342 1 1 1034 . 8 2 2 B 21 21 GLY HA3 H 119 3.941 4.283 -0.342 1 1 1035 . 8 2 2 B 21 21 GLY C C 119 174.002 172.152 1.850 1 1 1036 . 8 2 2 B 21 21 GLY CA C 119 45.721 43.979 1.742 1 1 1037 . 8 2 2 B 21 21 GLY N N 119 110.872 110.108 0.764 1 1 1068 . 8 2 2 B 25 25 SER H H 123 8.155 8.235 -0.080 1 1 1069 . 8 2 2 B 25 25 SER HA H 123 4.391 4.052 0.339 1 1 1072 . 8 2 2 B 25 25 SER C C 123 175.075 173.398 1.677 1 1 1073 . 8 2 2 B 25 25 SER CA C 123 59.347 59.505 -0.158 1 1 1074 . 8 2 2 B 25 25 SER CB C 123 63.879 62.476 1.403 1 1 1075 . 8 2 2 B 25 25 SER N N 123 116.126 114.295 1.831 1 1 1076 . 8 2 2 B 26 26 MET H H 124 8.221 7.747 0.474 1 1 1077 . 8 2 2 B 26 26 MET HA H 124 4.476 4.720 -0.244 1 1 1082 . 8 2 2 B 26 26 MET C C 124 176.355 173.909 2.446 1 1 1083 . 8 2 2 B 26 26 MET CA C 124 56.279 55.145 1.134 1 1 1084 . 8 2 2 B 26 26 MET CB C 124 32.900 33.583 -0.683 1 1 1086 . 8 2 2 B 26 26 MET N N 124 121.210 119.361 1.849 1 1 1087 . 8 2 2 B 27 27 LYS H H 125 8.025 8.758 -0.733 1 1 1088 . 8 2 2 B 27 27 LYS HA H 125 4.312 5.019 -0.707 1 1 1097 . 8 2 2 B 27 27 LYS C C 125 176.355 175.190 1.165 1 1 1098 . 8 2 2 B 27 27 LYS CA C 125 56.656 54.328 2.328 1 1 1099 . 8 2 2 B 27 27 LYS CB C 125 33.529 36.310 -2.781 1 1 1103 . 8 2 2 B 27 27 LYS N N 125 121.457 126.117 -4.660 1 1 1104 . 8 2 2 B 28 28 GLU H H 126 8.222 8.988 -0.766 1 1 1105 . 8 2 2 B 28 28 GLU N N 126 122.740 118.365 4.375 1 1 1106 . 8 2 2 B 29 29 PRO HA H 127 4.355 4.877 -0.522 1 1 1113 . 8 2 2 B 29 29 PRO C C 127 176.812 176.567 0.245 1 1 1114 . 8 2 2 B 29 29 PRO CA C 127 63.821 62.340 1.481 1 1 1115 . 8 2 2 B 29 29 PRO CB C 127 32.272 32.729 -0.457 1 1 1118 . 8 2 2 B 30 30 ALA H H 128 8.267 8.667 -0.400 1 1 1119 . 8 2 2 B 30 30 ALA HA H 128 4.269 4.665 -0.396 1 1 1123 . 8 2 2 B 30 30 ALA C C 128 177.589 178.153 -0.564 1 1 1124 . 8 2 2 B 30 30 ALA CA C 128 52.873 51.528 1.345 1 1 1125 . 8 2 2 B 30 30 ALA CB C 128 19.703 19.527 0.176 1 1 1126 . 8 2 2 B 30 30 ALA N N 128 123.577 125.615 -2.038 1 1 1127 . 8 2 2 B 31 31 PHE H H 129 8.019 7.853 0.166 1 1 1128 . 8 2 2 B 31 31 PHE HA H 129 4.621 4.113 0.508 1 1 1136 . 8 2 2 B 31 31 PHE C C 129 175.624 177.017 -1.393 1 1 1137 . 8 2 2 B 31 31 PHE CA C 129 58.039 61.832 -3.793 1 1 1138 . 8 2 2 B 31 31 PHE CB C 129 40.055 39.585 0.470 1 1 1142 . 8 2 2 B 31 31 PHE N N 129 118.994 119.363 -0.369 1 1 1143 . 8 2 2 B 32 32 ARG H H 130 8.029 7.630 0.399 1 1 1144 . 8 2 2 B 32 32 ARG HA H 130 4.309 4.260 0.049 1 1 1151 . 8 2 2 B 32 32 ARG C C 130 175.875 174.954 0.921 1 1 1152 . 8 2 2 B 32 32 ARG CA C 130 56.154 55.518 0.636 1 1 1153 . 8 2 2 B 32 32 ARG CB C 130 31.643 30.495 1.148 1 1 1156 . 8 2 2 B 32 32 ARG N N 130 122.929 116.183 6.746 1 1 1157 . 8 2 2 B 33 33 GLU H H 131 8.374 7.656 0.718 1 1 1158 . 8 2 2 B 33 33 GLU HA H 131 4.276 4.964 -0.688 1 1 1163 . 8 2 2 B 33 33 GLU C C 131 176.766 174.642 2.124 1 1 1164 . 8 2 2 B 33 33 GLU CA C 131 57.285 54.542 2.743 1 1 1165 . 8 2 2 B 33 33 GLU CB C 131 30.512 33.335 -2.823 1 1 1167 . 8 2 2 B 33 33 GLU N N 131 122.719 120.866 1.853 1 1 1168 . 8 2 2 B 34 34 GLU H H 132 8.509 9.000 -0.491 1 1 1169 . 8 2 2 B 34 34 GLU HA H 132 4.271 5.156 -0.885 1 1 1174 . 8 2 2 B 34 34 GLU C C 132 176.560 175.003 1.557 1 1 1175 . 8 2 2 B 34 34 GLU CA C 132 57.400 54.759 2.641 1 1 1176 . 8 2 2 B 34 34 GLU CB C 132 30.530 31.620 -1.090 1 1 1178 . 8 2 2 B 34 34 GLU N N 132 122.122 122.484 -0.362 1 1 1179 . 8 2 2 B 35 35 ASN H H 133 8.362 8.780 -0.418 1 1 1180 . 8 2 2 B 35 35 ASN HA H 133 4.693 5.081 -0.388 1 1 1183 . 8 2 2 B 35 35 ASN C C 133 175.258 175.152 0.106 1 1 1184 . 8 2 2 B 35 35 ASN CA C 133 53.765 52.150 1.615 1 1 1185 . 8 2 2 B 35 35 ASN CB C 133 39.562 39.278 0.284 1 1 1186 . 8 2 2 B 35 35 ASN N N 133 119.552 124.099 -4.547 1 1 1187 . 8 2 2 B 36 36 ALA H H 134 8.155 8.507 -0.352 1 1 1188 . 8 2 2 B 36 36 ALA HA H 134 4.265 4.760 -0.495 1 1 1192 . 8 2 2 B 36 36 ALA C C 134 177.520 178.161 -0.641 1 1 1193 . 8 2 2 B 36 36 ALA CA C 134 52.873 51.126 1.747 1 1 1194 . 8 2 2 B 36 36 ALA CB C 134 19.703 19.569 0.134 1 1 1195 . 8 2 2 B 36 36 ALA N N 134 124.376 127.397 -3.021 1 1 1196 . 8 2 2 B 37 37 ASN H H 135 8.210 7.548 0.662 1 1 1197 . 8 2 2 B 37 37 ASN HA H 135 4.688 4.315 0.373 1 1 1200 . 8 2 2 B 37 37 ASN C C 135 175.144 175.249 -0.105 1 1 1201 . 8 2 2 B 37 37 ASN CA C 135 53.640 55.626 -1.986 1 1 1202 . 8 2 2 B 37 37 ASN CB C 135 39.311 38.648 0.663 1 1 1203 . 8 2 2 B 37 37 ASN N N 135 117.103 117.449 -0.346 1 1 1204 . 8 2 2 B 38 38 PHE H H 136 7.997 7.825 0.172 1 1 1205 . 8 2 2 B 38 38 PHE HA H 136 4.623 4.716 -0.093 1 1 1212 . 8 2 2 B 38 38 PHE C C 136 175.601 174.865 0.736 1 1 1213 . 8 2 2 B 38 38 PHE CA C 136 58.165 56.920 1.245 1 1 1214 . 8 2 2 B 38 38 PHE CB C 136 39.939 37.668 2.271 1 1 1217 . 8 2 2 B 38 38 PHE N N 136 120.229 116.376 3.853 1 1 1218 . 8 2 2 B 39 39 ASN H H 137 8.272 8.674 -0.402 1 1 1219 . 8 2 2 B 39 39 ASN HA H 137 4.702 4.847 -0.145 1 1 1222 . 8 2 2 B 39 39 ASN C C 137 174.047 175.243 -1.196 1 1 1223 . 8 2 2 B 39 39 ASN CA C 137 53.891 53.218 0.673 1 1 1224 . 8 2 2 B 39 39 ASN CB C 137 39.688 39.694 -0.006 1 1 1225 . 8 2 2 B 39 39 ASN N N 137 120.594 122.966 -2.372 1 1 3 . 9 1 1 A 4 4 PRO HA H 2 4.510 4.749 -0.239 1 1 10 . 9 1 1 A 4 4 PRO C C 2 177.132 176.181 0.951 1 1 11 . 9 1 1 A 4 4 PRO CA C 2 63.529 62.289 1.240 1 1 12 . 9 1 1 A 4 4 PRO CB C 2 32.476 32.431 0.045 1 1 15 . 9 1 1 A 5 5 VAL H H 3 8.201 8.355 -0.154 1 1 16 . 9 1 1 A 5 5 VAL HA H 3 4.140 4.465 -0.325 1 1 24 . 9 1 1 A 5 5 VAL C C 3 176.423 174.544 1.879 1 1 25 . 9 1 1 A 5 5 VAL CA C 3 62.873 60.752 2.121 1 1 26 . 9 1 1 A 5 5 VAL CB C 3 33.455 33.463 -0.008 1 1 28 . 9 1 1 A 5 5 VAL N N 3 120.488 121.673 -1.185 1 1 29 . 9 1 1 A 6 6 SER H H 4 8.276 9.023 -0.747 1 1 30 . 9 1 1 A 6 6 SER HA H 4 4.487 4.980 -0.493 1 1 33 . 9 1 1 A 6 6 SER C C 4 174.687 173.383 1.304 1 1 34 . 9 1 1 A 6 6 SER CA C 4 58.375 56.614 1.761 1 1 35 . 9 1 1 A 6 6 SER CB C 4 64.295 64.346 -0.051 1 1 36 . 9 1 1 A 6 6 SER N N 4 119.000 124.386 -5.386 1 1 37 . 9 1 1 A 7 7 LEU H H 5 8.238 9.121 -0.883 1 1 38 . 9 1 1 A 7 7 LEU HA H 5 4.397 4.826 -0.429 1 1 44 . 9 1 1 A 7 7 LEU C C 5 177.406 175.801 1.605 1 1 45 . 9 1 1 A 7 7 LEU CA C 5 55.766 53.709 2.057 1 1 46 . 9 1 1 A 7 7 LEU CB C 5 43.132 43.985 -0.853 1 1 48 . 9 1 1 A 7 7 LEU N N 5 124.704 129.857 -5.153 1 1 49 . 9 1 1 A 8 8 SER H H 6 8.148 8.725 -0.577 1 1 50 . 9 1 1 A 8 8 SER HA H 6 4.438 4.310 0.128 1 1 53 . 9 1 1 A 8 8 SER C C 6 174.321 174.946 -0.625 1 1 54 . 9 1 1 A 8 8 SER CA C 6 58.718 58.507 0.211 1 1 55 . 9 1 1 A 8 8 SER CB C 6 64.295 63.087 1.208 1 1 56 . 9 1 1 A 8 8 SER N N 6 115.960 120.531 -4.571 1 1 57 . 9 1 1 A 9 9 TYR H H 7 7.915 8.276 -0.361 1 1 58 . 9 1 1 A 9 9 TYR HA H 7 4.585 4.059 0.526 1 1 65 . 9 1 1 A 9 9 TYR C C 7 175.532 174.933 0.599 1 1 66 . 9 1 1 A 9 9 TYR CA C 7 58.335 59.339 -1.004 1 1 67 . 9 1 1 A 9 9 TYR CB C 7 39.474 35.725 3.749 1 1 70 . 9 1 1 A 9 9 TYR N N 7 121.884 120.532 1.352 1 1 71 . 9 1 1 A 10 10 ARG H H 8 8.117 7.787 0.330 1 1 72 . 9 1 1 A 10 10 ARG HA H 8 4.337 4.599 -0.262 1 1 79 . 9 1 1 A 10 10 ARG C C 8 175.898 174.741 1.157 1 1 80 . 9 1 1 A 10 10 ARG CA C 8 56.048 55.201 0.847 1 1 81 . 9 1 1 A 10 10 ARG CB C 8 31.492 31.733 -0.241 1 1 84 . 9 1 1 A 10 10 ARG N N 8 121.977 118.849 3.128 1 1 85 . 9 1 1 A 11 11 CYS H H 9 8.127 8.725 -0.598 1 1 86 . 9 1 1 A 11 11 CYS HA H 9 4.984 4.940 0.044 1 1 89 . 9 1 1 A 11 11 CYS C C 9 177.771 173.933 3.838 1 1 90 . 9 1 1 A 11 11 CYS CA C 9 53.192 53.254 -0.062 1 1 91 . 9 1 1 A 11 11 CYS CB C 9 40.897 44.504 -3.607 1 1 92 . 9 1 1 A 11 11 CYS N N 9 121.209 120.775 0.434 1 1 93 . 9 1 1 A 12 12 PRO HA H 10 4.321 4.325 -0.004 1 1 100 . 9 1 1 A 12 12 PRO CA C 10 65.478 65.530 -0.052 1 1 101 . 9 1 1 A 12 12 PRO CB C 10 32.904 31.383 1.521 1 1 104 . 9 1 1 A 13 13 CYS H H 11 8.633 8.138 0.495 1 1 105 . 9 1 1 A 13 13 CYS C C 11 174.618 173.759 0.859 1 1 106 . 9 1 1 A 13 13 CYS N N 11 114.595 115.586 -0.991 1 1 107 . 9 1 1 A 14 14 ARG H H 12 8.236 8.850 -0.614 1 1 108 . 9 1 1 A 14 14 ARG HA H 12 4.067 4.129 -0.062 1 1 115 . 9 1 1 A 14 14 ARG C C 12 175.098 175.520 -0.422 1 1 116 . 9 1 1 A 14 14 ARG CA C 12 57.370 57.808 -0.438 1 1 117 . 9 1 1 A 14 14 ARG CB C 12 31.631 30.750 0.881 1 1 120 . 9 1 1 A 14 14 ARG N N 12 122.779 128.204 -5.425 1 1 121 . 9 1 1 A 15 15 PHE H H 13 7.571 7.903 -0.332 1 1 122 . 9 1 1 A 15 15 PHE HA H 13 4.510 4.796 -0.286 1 1 129 . 9 1 1 A 15 15 PHE C C 13 174.162 175.211 -1.049 1 1 130 . 9 1 1 A 15 15 PHE CA C 13 56.289 56.055 0.234 1 1 131 . 9 1 1 A 15 15 PHE CB C 13 41.320 41.144 0.176 1 1 134 . 9 1 1 A 15 15 PHE N N 13 116.797 116.447 0.350 1 1 135 . 9 1 1 A 16 16 PHE H H 14 8.084 8.442 -0.358 1 1 136 . 9 1 1 A 16 16 PHE HA H 14 4.767 5.754 -0.987 1 1 143 . 9 1 1 A 16 16 PHE C C 14 175.441 173.733 1.708 1 1 144 . 9 1 1 A 16 16 PHE CA C 14 55.767 55.227 0.540 1 1 145 . 9 1 1 A 16 16 PHE CB C 14 41.320 42.518 -1.198 1 1 148 . 9 1 1 A 16 16 PHE N N 14 118.930 119.503 -0.573 1 1 149 . 9 1 1 A 17 17 GLU H H 15 8.815 9.394 -0.579 1 1 150 . 9 1 1 A 17 17 GLU HA H 15 4.579 4.521 0.058 1 1 155 . 9 1 1 A 17 17 GLU C C 15 176.857 177.397 -0.540 1 1 156 . 9 1 1 A 17 17 GLU CA C 15 56.289 57.190 -0.901 1 1 157 . 9 1 1 A 17 17 GLU CB C 15 31.173 30.158 1.015 1 1 159 . 9 1 1 A 17 17 GLU N N 15 122.929 120.601 2.328 1 1 160 . 9 1 1 A 18 18 SER H H 16 8.751 9.021 -0.270 1 1 161 . 9 1 1 A 18 18 SER HA H 16 4.762 4.744 0.018 1 1 164 . 9 1 1 A 18 18 SER C C 16 177.497 175.019 2.478 1 1 165 . 9 1 1 A 18 18 SER CA C 16 59.328 58.233 1.095 1 1 166 . 9 1 1 A 18 18 SER CB C 16 64.515 64.498 0.017 1 1 167 . 9 1 1 A 18 18 SER N N 16 118.860 116.539 2.321 1 1 168 . 9 1 1 A 19 19 HIS H H 17 8.761 7.850 0.911 1 1 169 . 9 1 1 A 19 19 HIS HA H 17 4.832 5.062 -0.230 1 1 174 . 9 1 1 A 19 19 HIS C C 17 174.618 173.691 0.927 1 1 175 . 9 1 1 A 19 19 HIS CA C 17 56.449 54.310 2.139 1 1 176 . 9 1 1 A 19 19 HIS CB C 17 30.214 30.001 0.213 1 1 179 . 9 1 1 A 19 19 HIS N N 17 120.535 120.541 -0.006 1 1 180 . 9 1 1 A 20 20 VAL H H 18 7.085 9.039 -1.954 1 1 181 . 9 1 1 A 20 20 VAL HA H 18 4.160 4.877 -0.717 1 1 189 . 9 1 1 A 20 20 VAL C C 18 174.436 173.981 0.455 1 1 190 . 9 1 1 A 20 20 VAL CA C 18 62.167 59.915 2.252 1 1 191 . 9 1 1 A 20 20 VAL CB C 18 34.426 35.715 -1.289 1 1 193 . 9 1 1 A 20 20 VAL N N 18 120.872 123.487 -2.615 1 1 194 . 9 1 1 A 21 21 ALA H H 19 8.521 8.602 -0.081 1 1 195 . 9 1 1 A 21 21 ALA HA H 19 4.367 4.413 -0.046 1 1 199 . 9 1 1 A 21 21 ALA C C 19 177.657 177.732 -0.075 1 1 200 . 9 1 1 A 21 21 ALA CA C 19 51.193 51.080 0.113 1 1 201 . 9 1 1 A 21 21 ALA CB C 19 19.790 19.960 -0.170 1 1 202 . 9 1 1 A 21 21 ALA N N 19 131.339 127.758 3.581 1 1 203 . 9 1 1 A 22 22 ARG H H 20 7.790 8.096 -0.306 1 1 204 . 9 1 1 A 22 22 ARG HA H 20 2.451 2.913 -0.462 1 1 211 . 9 1 1 A 22 22 ARG C C 20 178.365 177.153 1.212 1 1 212 . 9 1 1 A 22 22 ARG CA C 20 59.379 57.735 1.644 1 1 213 . 9 1 1 A 22 22 ARG CB C 20 29.572 29.215 0.357 1 1 216 . 9 1 1 A 22 22 ARG N N 20 124.365 123.162 1.203 1 1 217 . 9 1 1 A 23 23 ALA H H 21 8.120 7.545 0.575 1 1 218 . 9 1 1 A 23 23 ALA HA H 21 4.060 4.014 0.046 1 1 222 . 9 1 1 A 23 23 ALA C C 21 178.000 179.195 -1.195 1 1 223 . 9 1 1 A 23 23 ALA CA C 21 54.100 53.542 0.558 1 1 224 . 9 1 1 A 23 23 ALA CB C 21 18.713 18.280 0.433 1 1 225 . 9 1 1 A 23 23 ALA N N 21 117.156 121.402 -4.246 1 1 226 . 9 1 1 A 24 24 ASN H H 22 7.707 7.718 -0.011 1 1 227 . 9 1 1 A 24 24 ASN HA H 22 5.010 4.672 0.338 1 1 232 . 9 1 1 A 24 24 ASN C C 22 174.938 174.942 -0.004 1 1 233 . 9 1 1 A 24 24 ASN CA C 22 52.869 54.289 -1.420 1 1 234 . 9 1 1 A 24 24 ASN CB C 22 40.573 39.309 1.264 1 1 235 . 9 1 1 A 24 24 ASN N N 22 112.819 115.567 -2.748 1 1 237 . 9 1 1 A 25 25 VAL H H 23 7.489 6.962 0.527 1 1 238 . 9 1 1 A 25 25 VAL HA H 23 4.888 4.186 0.702 1 1 246 . 9 1 1 A 25 25 VAL C C 23 175.829 175.447 0.382 1 1 247 . 9 1 1 A 25 25 VAL CA C 23 59.870 60.843 -0.973 1 1 248 . 9 1 1 A 25 25 VAL CB C 23 35.396 33.025 2.371 1 1 251 . 9 1 1 A 25 25 VAL N N 23 119.721 116.658 3.063 1 1 252 . 9 1 1 A 26 26 LYS H H 24 9.480 9.273 0.207 1 1 253 . 9 1 1 A 26 26 LYS HA H 24 4.353 4.315 0.038 1 1 262 . 9 1 1 A 26 26 LYS C C 24 176.606 176.909 -0.303 1 1 263 . 9 1 1 A 26 26 LYS CA C 24 58.977 57.837 1.140 1 1 264 . 9 1 1 A 26 26 LYS CB C 24 34.567 32.988 1.579 1 1 268 . 9 1 1 A 26 26 LYS N N 24 127.843 122.878 4.965 1 1 269 . 9 1 1 A 27 27 HIS H H 25 7.237 7.831 -0.594 1 1 270 . 9 1 1 A 27 27 HIS HA H 25 4.979 5.445 -0.466 1 1 275 . 9 1 1 A 27 27 HIS C C 25 178.434 172.719 5.715 1 1 276 . 9 1 1 A 27 27 HIS CA C 25 55.406 53.502 1.904 1 1 277 . 9 1 1 A 27 27 HIS CB C 25 32.480 33.194 -0.714 1 1 280 . 9 1 1 A 27 27 HIS N N 25 109.556 113.158 -3.602 1 1 281 . 9 1 1 A 28 28 LEU H H 26 8.189 8.837 -0.648 1 1 282 . 9 1 1 A 28 28 LEU HA H 26 5.190 5.370 -0.180 1 1 292 . 9 1 1 A 28 28 LEU C C 26 175.510 175.852 -0.342 1 1 293 . 9 1 1 A 28 28 LEU CA C 26 53.480 53.524 -0.044 1 1 294 . 9 1 1 A 28 28 LEU CB C 26 45.235 45.787 -0.552 1 1 298 . 9 1 1 A 28 28 LEU N N 26 117.260 120.071 -2.811 1 1 299 . 9 1 1 A 29 29 LYS H H 27 9.572 8.671 0.901 1 1 300 . 9 1 1 A 29 29 LYS HA H 27 5.372 5.006 0.366 1 1 309 . 9 1 1 A 29 29 LYS C C 27 174.801 174.041 0.760 1 1 310 . 9 1 1 A 29 29 LYS CA C 27 55.165 55.398 -0.233 1 1 311 . 9 1 1 A 29 29 LYS CB C 27 35.253 35.949 -0.696 1 1 315 . 9 1 1 A 29 29 LYS N N 27 123.488 121.959 1.529 1 1 316 . 9 1 1 A 30 30 ILE H H 28 9.136 9.052 0.084 1 1 317 . 9 1 1 A 30 30 ILE HA H 28 4.924 5.374 -0.450 1 1 327 . 9 1 1 A 30 30 ILE C C 28 176.949 175.111 1.838 1 1 328 . 9 1 1 A 30 30 ILE CA C 28 60.542 59.525 1.017 1 1 329 . 9 1 1 A 30 30 ILE CB C 28 39.600 39.549 0.051 1 1 333 . 9 1 1 A 30 30 ILE N N 28 123.846 127.539 -3.693 1 1 334 . 9 1 1 A 31 31 LEU H H 29 8.805 9.255 -0.450 1 1 335 . 9 1 1 A 31 31 LEU HA H 29 4.535 5.194 -0.659 1 1 344 . 9 1 1 A 31 31 LEU C C 29 176.012 175.057 0.955 1 1 345 . 9 1 1 A 31 31 LEU CA C 29 55.366 53.631 1.735 1 1 346 . 9 1 1 A 31 31 LEU CB C 29 43.180 45.509 -2.329 1 1 349 . 9 1 1 A 31 31 LEU N N 29 128.649 127.566 1.083 1 1 350 . 9 1 1 A 32 32 ASN H H 30 8.216 8.868 -0.652 1 1 351 . 9 1 1 A 32 32 ASN HA H 30 5.005 5.417 -0.412 1 1 356 . 9 1 1 A 32 32 ASN C C 30 174.664 174.224 0.440 1 1 357 . 9 1 1 A 32 32 ASN CA C 30 52.517 51.561 0.956 1 1 358 . 9 1 1 A 32 32 ASN CB C 30 38.776 41.149 -2.373 1 1 359 . 9 1 1 A 32 32 ASN N N 30 120.791 122.356 -1.565 1 1 361 . 9 1 1 A 33 33 THR H H 31 7.883 8.498 -0.615 1 1 362 . 9 1 1 A 33 33 THR HA H 31 4.842 4.928 -0.086 1 1 367 . 9 1 1 A 33 33 THR CA C 31 58.369 58.485 -0.116 1 1 368 . 9 1 1 A 33 33 THR CB C 31 70.018 69.973 0.045 1 1 370 . 9 1 1 A 33 33 THR N N 31 115.811 116.432 -0.621 1 1 371 . 9 1 1 A 34 34 PRO HA H 32 4.317 4.565 -0.248 1 1 378 . 9 1 1 A 34 34 PRO CA C 32 65.164 64.488 0.676 1 1 379 . 9 1 1 A 34 34 PRO CB C 32 32.484 32.080 0.404 1 1 382 . 9 1 1 A 35 35 ASN H H 33 8.259 8.302 -0.043 1 1 383 . 9 1 1 A 35 35 ASN HA H 33 4.651 4.500 0.151 1 1 388 . 9 1 1 A 35 35 ASN C C 33 174.710 174.674 0.036 1 1 389 . 9 1 1 A 35 35 ASN CA C 33 54.532 55.472 -0.940 1 1 390 . 9 1 1 A 35 35 ASN CB C 33 39.167 39.420 -0.253 1 1 391 . 9 1 1 A 35 35 ASN N N 33 120.081 114.156 5.925 1 1 393 . 9 1 1 A 36 36 CYS H H 34 7.569 7.401 0.168 1 1 394 . 9 1 1 A 36 36 CYS HA H 34 4.675 4.918 -0.243 1 1 397 . 9 1 1 A 36 36 CYS C C 34 173.865 173.353 0.512 1 1 398 . 9 1 1 A 36 36 CYS CA C 34 55.447 54.777 0.670 1 1 399 . 9 1 1 A 36 36 CYS CB C 34 45.228 47.301 -2.073 1 1 400 . 9 1 1 A 36 36 CYS N N 34 117.076 116.012 1.064 1 1 401 . 9 1 1 A 37 37 ALA H H 35 8.472 8.575 -0.103 1 1 402 . 9 1 1 A 37 37 ALA HA H 35 4.223 4.363 -0.140 1 1 406 . 9 1 1 A 37 37 ALA C C 35 176.423 177.090 -0.667 1 1 407 . 9 1 1 A 37 37 ALA CA C 35 53.537 51.638 1.899 1 1 408 . 9 1 1 A 37 37 ALA CB C 35 19.202 19.887 -0.685 1 1 409 . 9 1 1 A 37 37 ALA N N 35 125.153 124.868 0.285 1 1 410 . 9 1 1 A 38 38 CYS H H 36 8.316 8.530 -0.214 1 1 411 . 9 1 1 A 38 38 CYS HA H 36 4.196 4.538 -0.342 1 1 414 . 9 1 1 A 38 38 CYS C C 36 173.705 174.232 -0.527 1 1 415 . 9 1 1 A 38 38 CYS CA C 36 58.616 57.636 0.980 1 1 416 . 9 1 1 A 38 38 CYS CB C 36 45.705 26.304 19.401 1 1 417 . 9 1 1 A 38 38 CYS N N 36 118.837 117.779 1.058 1 1 418 . 9 1 1 A 39 39 GLN H H 37 8.928 8.520 0.408 1 1 419 . 9 1 1 A 39 39 GLN HA H 37 4.596 4.333 0.263 1 1 426 . 9 1 1 A 39 39 GLN C C 37 173.636 174.849 -1.213 1 1 427 . 9 1 1 A 39 39 GLN CA C 37 54.603 56.097 -1.494 1 1 428 . 9 1 1 A 39 39 GLN CB C 37 31.761 28.852 2.909 1 1 430 . 9 1 1 A 39 39 GLN N N 37 128.567 126.681 1.886 1 1 432 . 9 1 1 A 40 40 ILE H H 38 8.851 8.940 -0.089 1 1 433 . 9 1 1 A 40 40 ILE HA H 38 5.087 5.172 -0.085 1 1 443 . 9 1 1 A 40 40 ILE C C 38 174.390 175.052 -0.662 1 1 444 . 9 1 1 A 40 40 ILE CA C 38 60.582 59.583 0.999 1 1 445 . 9 1 1 A 40 40 ILE CB C 38 40.048 38.024 2.024 1 1 449 . 9 1 1 A 40 40 ILE N N 38 123.962 128.657 -4.695 1 1 450 . 9 1 1 A 41 41 VAL H H 39 9.090 9.653 -0.563 1 1 451 . 9 1 1 A 41 41 VAL HA H 39 4.822 4.820 0.002 1 1 459 . 9 1 1 A 41 41 VAL C C 39 175.487 175.118 0.369 1 1 460 . 9 1 1 A 41 41 VAL CA C 39 59.980 61.232 -1.252 1 1 461 . 9 1 1 A 41 41 VAL CB C 39 35.868 33.908 1.960 1 1 464 . 9 1 1 A 41 41 VAL N N 39 126.354 129.136 -2.782 1 1 465 . 9 1 1 A 42 42 ALA H H 40 9.513 9.363 0.150 1 1 466 . 9 1 1 A 42 42 ALA HA H 40 5.137 5.378 -0.241 1 1 470 . 9 1 1 A 42 42 ALA C C 40 175.944 175.764 0.180 1 1 471 . 9 1 1 A 42 42 ALA CA C 40 50.591 50.361 0.230 1 1 472 . 9 1 1 A 42 42 ALA CB C 40 22.432 23.170 -0.738 1 1 473 . 9 1 1 A 42 42 ALA N N 40 128.406 128.580 -0.174 1 1 474 . 9 1 1 A 43 43 ARG H H 41 7.720 7.978 -0.258 1 1 475 . 9 1 1 A 43 43 ARG HA H 41 4.959 4.582 0.377 1 1 482 . 9 1 1 A 43 43 ARG C C 41 175.510 175.244 0.266 1 1 483 . 9 1 1 A 43 43 ARG CA C 41 54.162 55.618 -1.456 1 1 484 . 9 1 1 A 43 43 ARG CB C 41 31.200 30.871 0.329 1 1 487 . 9 1 1 A 43 43 ARG N N 41 121.795 121.756 0.039 1 1 488 . 9 1 1 A 44 44 LEU H H 42 9.164 8.630 0.534 1 1 489 . 9 1 1 A 44 44 LEU HA H 42 5.021 4.530 0.491 1 1 499 . 9 1 1 A 44 44 LEU C C 42 177.840 177.506 0.334 1 1 500 . 9 1 1 A 44 44 LEU CA C 42 54.724 54.554 0.170 1 1 501 . 9 1 1 A 44 44 LEU CB C 42 41.712 42.223 -0.511 1 1 505 . 9 1 1 A 44 44 LEU N N 42 129.087 125.890 3.197 1 1 506 . 9 1 1 A 45 45 LYS H H 43 8.396 8.668 -0.272 1 1 507 . 9 1 1 A 45 45 LYS HA H 43 3.950 4.115 -0.165 1 1 516 . 9 1 1 A 45 45 LYS CA C 43 59.016 57.024 1.992 1 1 517 . 9 1 1 A 45 45 LYS CB C 43 34.102 32.169 1.933 1 1 520 . 9 1 1 A 45 45 LYS N N 43 119.674 121.536 -1.862 1 1 521 . 9 1 1 A 48 48 ASN HA H 46 4.709 4.799 -0.090 1 1 526 . 9 1 1 A 48 48 ASN C C 46 175.098 175.641 -0.543 1 1 527 . 9 1 1 A 48 48 ASN CA C 46 54.764 54.991 -0.227 1 1 528 . 9 1 1 A 48 48 ASN CB C 46 39.265 38.580 0.685 1 1 530 . 9 1 1 A 49 49 ARG H H 47 7.923 7.720 0.203 1 1 531 . 9 1 1 A 49 49 ARG HA H 47 4.368 4.581 -0.213 1 1 538 . 9 1 1 A 49 49 ARG C C 47 175.601 173.361 2.240 1 1 539 . 9 1 1 A 49 49 ARG CA C 47 57.051 55.019 2.032 1 1 540 . 9 1 1 A 49 49 ARG CB C 47 32.121 31.866 0.255 1 1 543 . 9 1 1 A 49 49 ARG N N 47 119.826 113.410 6.416 1 1 544 . 9 1 1 A 50 50 GLN H H 48 8.547 8.591 -0.044 1 1 545 . 9 1 1 A 50 50 GLN HA H 48 5.441 4.976 0.465 1 1 552 . 9 1 1 A 50 50 GLN C C 48 175.578 175.479 0.099 1 1 553 . 9 1 1 A 50 50 GLN CA C 48 55.125 55.001 0.124 1 1 554 . 9 1 1 A 50 50 GLN CB C 48 32.121 30.175 1.946 1 1 556 . 9 1 1 A 50 50 GLN N N 48 120.767 120.876 -0.109 1 1 558 . 9 1 1 A 51 51 VAL H H 49 8.630 8.944 -0.314 1 1 559 . 9 1 1 A 51 51 VAL HA H 49 4.826 4.867 -0.041 1 1 567 . 9 1 1 A 51 51 VAL C C 49 175.258 174.445 0.813 1 1 568 . 9 1 1 A 51 51 VAL CA C 49 59.338 58.882 0.456 1 1 569 . 9 1 1 A 51 51 VAL CB C 49 36.155 35.731 0.424 1 1 572 . 9 1 1 A 51 51 VAL N N 49 116.678 118.637 -1.959 1 1 573 . 9 1 1 A 52 52 CYS H H 50 9.095 8.906 0.189 1 1 574 . 9 1 1 A 52 52 CYS HA H 50 5.278 5.555 -0.277 1 1 577 . 9 1 1 A 52 52 CYS C C 50 174.527 173.087 1.440 1 1 578 . 9 1 1 A 52 52 CYS CA C 50 58.054 54.347 3.707 1 1 579 . 9 1 1 A 52 52 CYS CB C 50 43.162 45.512 -2.350 1 1 580 . 9 1 1 A 52 52 CYS N N 50 124.549 119.557 4.992 1 1 581 . 9 1 1 A 53 53 ILE H H 51 8.485 9.335 -0.850 1 1 582 . 9 1 1 A 53 53 ILE HA H 51 4.973 5.047 -0.074 1 1 592 . 9 1 1 A 53 53 ILE C C 51 173.019 174.907 -1.888 1 1 593 . 9 1 1 A 53 53 ILE CA C 51 58.897 59.850 -0.953 1 1 594 . 9 1 1 A 53 53 ILE CB C 51 42.201 41.199 1.002 1 1 598 . 9 1 1 A 53 53 ILE N N 51 122.581 122.712 -0.131 1 1 599 . 9 1 1 A 54 54 ASP H H 52 7.661 8.674 -1.013 1 1 600 . 9 1 1 A 54 54 ASP HA H 52 3.611 3.899 -0.288 1 1 603 . 9 1 1 A 54 54 ASP CA C 52 51.574 51.665 -0.091 1 1 604 . 9 1 1 A 54 54 ASP CB C 52 42.515 41.929 0.586 1 1 605 . 9 1 1 A 54 54 ASP N N 52 125.772 125.789 -0.017 1 1 606 . 9 1 1 A 55 55 PRO HA H 53 4.010 4.323 -0.313 1 1 613 . 9 1 1 A 55 55 PRO C C 53 176.126 176.496 -0.370 1 1 614 . 9 1 1 A 55 55 PRO CA C 53 63.993 63.861 0.132 1 1 615 . 9 1 1 A 55 55 PRO CB C 53 33.002 31.473 1.529 1 1 618 . 9 1 1 A 56 56 LYS H H 54 7.930 8.162 -0.232 1 1 619 . 9 1 1 A 56 56 LYS HA H 54 3.988 4.362 -0.374 1 1 628 . 9 1 1 A 56 56 LYS C C 54 177.931 176.039 1.892 1 1 629 . 9 1 1 A 56 56 LYS CA C 54 56.770 56.182 0.588 1 1 630 . 9 1 1 A 56 56 LYS CB C 54 32.023 33.182 -1.159 1 1 634 . 9 1 1 A 56 56 LYS N N 54 112.924 115.829 -2.905 1 1 635 . 9 1 1 A 57 57 LEU H H 55 7.161 7.112 0.049 1 1 636 . 9 1 1 A 57 57 LEU HA H 55 4.059 3.980 0.079 1 1 646 . 9 1 1 A 57 57 LEU C C 55 179.416 177.553 1.863 1 1 647 . 9 1 1 A 57 57 LEU CA C 55 56.088 55.643 0.445 1 1 648 . 9 1 1 A 57 57 LEU CB C 55 42.191 43.072 -0.881 1 1 652 . 9 1 1 A 57 57 LEU N N 55 120.593 123.239 -2.646 1 1 653 . 9 1 1 A 58 58 LYS H H 56 8.720 8.863 -0.143 1 1 654 . 9 1 1 A 58 58 LYS HA H 56 3.911 3.846 0.065 1 1 663 . 9 1 1 A 58 58 LYS C C 56 178.937 178.151 0.786 1 1 664 . 9 1 1 A 58 58 LYS CA C 56 60.301 59.744 0.557 1 1 665 . 9 1 1 A 58 58 LYS CB C 56 32.121 32.158 -0.037 1 1 669 . 9 1 1 A 58 58 LYS N N 56 125.479 126.289 -0.810 1 1 670 . 9 1 1 A 59 59 TRP H H 57 7.811 8.189 -0.378 1 1 671 . 9 1 1 A 59 59 TRP HA H 57 4.664 4.503 0.161 1 1 680 . 9 1 1 A 59 59 TRP C C 57 178.868 179.462 -0.594 1 1 681 . 9 1 1 A 59 59 TRP CA C 57 58.897 59.909 -1.012 1 1 682 . 9 1 1 A 59 59 TRP CB C 57 28.036 28.010 0.026 1 1 688 . 9 1 1 A 59 59 TRP N N 57 113.433 119.052 -5.619 1 1 690 . 9 1 1 A 60 60 ILE H H 58 6.461 7.540 -1.079 1 1 691 . 9 1 1 A 60 60 ILE HA H 58 3.304 3.511 -0.207 1 1 701 . 9 1 1 A 60 60 ILE C C 58 177.726 177.806 -0.080 1 1 702 . 9 1 1 A 60 60 ILE CA C 58 64.314 64.925 -0.611 1 1 703 . 9 1 1 A 60 60 ILE CB C 58 35.897 37.317 -1.420 1 1 707 . 9 1 1 A 60 60 ILE N N 58 124.379 122.511 1.868 1 1 708 . 9 1 1 A 61 61 GLN H H 59 7.624 8.372 -0.748 1 1 709 . 9 1 1 A 61 61 GLN HA H 59 3.748 3.889 -0.141 1 1 716 . 9 1 1 A 61 61 GLN C C 59 178.434 178.894 -0.460 1 1 717 . 9 1 1 A 61 61 GLN CA C 59 59.379 59.417 -0.038 1 1 718 . 9 1 1 A 61 61 GLN CB C 59 28.272 28.327 -0.055 1 1 720 . 9 1 1 A 61 61 GLN N N 59 119.070 118.185 0.885 1 1 722 . 9 1 1 A 62 62 GLU H H 60 8.064 8.527 -0.463 1 1 723 . 9 1 1 A 62 62 GLU HA H 60 4.083 4.091 -0.008 1 1 728 . 9 1 1 A 62 62 GLU C C 60 179.051 178.818 0.233 1 1 729 . 9 1 1 A 62 62 GLU CA C 60 59.659 59.499 0.160 1 1 730 . 9 1 1 A 62 62 GLU CB C 60 30.457 29.612 0.845 1 1 732 . 9 1 1 A 62 62 GLU N N 60 117.166 120.178 -3.012 1 1 733 . 9 1 1 A 63 63 TYR H H 61 7.924 8.376 -0.452 1 1 734 . 9 1 1 A 63 63 TYR HA H 61 4.254 4.239 0.015 1 1 741 . 9 1 1 A 63 63 TYR C C 61 178.617 177.557 1.060 1 1 742 . 9 1 1 A 63 63 TYR CA C 61 61.184 61.465 -0.281 1 1 743 . 9 1 1 A 63 63 TYR CB C 61 39.461 38.837 0.624 1 1 746 . 9 1 1 A 63 63 TYR N N 61 121.271 121.965 -0.694 1 1 747 . 9 1 1 A 64 64 LEU H H 62 8.260 8.906 -0.646 1 1 748 . 9 1 1 A 64 64 LEU HA H 62 3.954 3.870 0.084 1 1 758 . 9 1 1 A 64 64 LEU C C 62 179.553 178.976 0.577 1 1 759 . 9 1 1 A 64 64 LEU CA C 62 58.014 58.163 -0.149 1 1 760 . 9 1 1 A 64 64 LEU CB C 62 42.191 41.452 0.739 1 1 764 . 9 1 1 A 64 64 LEU N N 62 116.299 120.221 -3.922 1 1 765 . 9 1 1 A 65 65 GLU H H 63 8.454 8.547 -0.093 1 1 766 . 9 1 1 A 65 65 GLU HA H 63 3.840 3.898 -0.058 1 1 771 . 9 1 1 A 65 65 GLU C C 63 179.279 179.076 0.203 1 1 772 . 9 1 1 A 65 65 GLU CA C 63 60.301 59.861 0.440 1 1 773 . 9 1 1 A 65 65 GLU CB C 63 29.870 29.348 0.522 1 1 775 . 9 1 1 A 65 65 GLU N N 63 118.616 117.746 0.870 1 1 776 . 9 1 1 A 66 66 LYS H H 64 7.575 8.232 -0.657 1 1 777 . 9 1 1 A 66 66 LYS HA H 64 4.212 4.063 0.149 1 1 786 . 9 1 1 A 66 66 LYS C C 64 178.457 178.683 -0.226 1 1 787 . 9 1 1 A 66 66 LYS CA C 64 58.496 59.212 -0.716 1 1 788 . 9 1 1 A 66 66 LYS CB C 64 32.400 31.994 0.406 1 1 792 . 9 1 1 A 66 66 LYS N N 64 117.166 118.429 -1.263 1 1 793 . 9 1 1 A 67 67 CYS H H 65 7.918 8.031 -0.113 1 1 794 . 9 1 1 A 67 67 CYS HA H 65 4.526 4.080 0.446 1 1 797 . 9 1 1 A 67 67 CYS C C 65 174.893 177.295 -2.402 1 1 798 . 9 1 1 A 67 67 CYS CA C 65 56.329 62.002 -5.673 1 1 799 . 9 1 1 A 67 67 CYS CB C 65 45.235 27.229 18.006 1 1 800 . 9 1 1 A 67 67 CYS N N 65 115.330 118.526 -3.196 1 1 801 . 9 1 1 A 68 68 LEU H H 66 7.559 8.264 -0.705 1 1 802 . 9 1 1 A 68 68 LEU HA H 66 4.490 4.048 0.442 1 1 812 . 9 1 1 A 68 68 LEU C C 66 176.812 178.363 -1.551 1 1 813 . 9 1 1 A 68 68 LEU CA C 66 55.366 57.831 -2.465 1 1 814 . 9 1 1 A 68 68 LEU CB C 66 43.278 41.516 1.762 1 1 818 . 9 1 1 A 68 68 LEU N N 66 120.930 122.274 -1.344 1 1 819 . 9 1 1 A 69 69 ASN H H 67 8.265 7.745 0.520 1 1 820 . 9 1 1 A 69 69 ASN HA H 67 4.669 4.435 0.234 1 1 825 . 9 1 1 A 69 69 ASN CA C 67 53.761 56.233 -2.472 1 1 826 . 9 1 1 A 69 69 ASN CB C 67 39.069 38.651 0.418 1 1 827 . 9 1 1 A 69 69 ASN N N 67 120.279 115.965 4.314 1 1 852 . 9 2 2 B 4 4 GLU H H 102 8.329 8.164 0.165 1 1 853 . 9 2 2 B 4 4 GLU HA H 102 4.282 4.787 -0.505 1 1 858 . 9 2 2 B 4 4 GLU C C 102 177.132 176.216 0.916 1 1 859 . 9 2 2 B 4 4 GLU CA C 102 57.410 55.381 2.029 1 1 861 . 9 2 2 B 4 4 GLU N N 102 121.884 118.585 3.299 1 1 862 . 9 2 2 B 5 5 GLY H H 103 8.335 8.105 0.230 1 1 863 . 9 2 2 B 5 5 GLY HA2 H 103 3.941 4.107 -0.166 1 1 864 . 9 2 2 B 5 5 GLY HA3 H 103 3.941 4.107 -0.166 1 1 865 . 9 2 2 B 5 5 GLY C C 103 174.207 172.261 1.946 1 1 866 . 9 2 2 B 5 5 GLY CA C 103 45.731 43.859 1.872 1 1 867 . 9 2 2 B 5 5 GLY N N 103 110.055 109.560 0.495 1 1 868 . 9 2 2 B 6 6 ILE H H 104 7.831 8.237 -0.406 1 1 869 . 9 2 2 B 6 6 ILE HA H 104 4.269 4.756 -0.487 1 1 879 . 9 2 2 B 6 6 ILE C C 104 176.401 177.373 -0.972 1 1 880 . 9 2 2 B 6 6 ILE CA C 104 61.558 59.826 1.732 1 1 881 . 9 2 2 B 6 6 ILE CB C 104 39.436 39.527 -0.091 1 1 885 . 9 2 2 B 6 6 ILE N N 104 119.606 120.441 -0.835 1 1 886 . 9 2 2 B 7 7 SER H H 105 8.324 8.973 -0.649 1 1 887 . 9 2 2 B 7 7 SER HA H 105 4.535 4.106 0.429 1 1 890 . 9 2 2 B 7 7 SER C C 105 174.550 176.468 -1.918 1 1 891 . 9 2 2 B 7 7 SER CA C 105 58.667 62.029 -3.362 1 1 892 . 9 2 2 B 7 7 SER CB C 105 64.072 62.662 1.410 1 1 893 . 9 2 2 B 7 7 SER N N 105 119.717 119.264 0.453 1 1 937 . 9 2 2 B 11 11 SER H H 109 8.211 8.599 -0.388 1 1 938 . 9 2 2 B 11 11 SER HA H 109 4.507 5.276 -0.769 1 1 941 . 9 2 2 B 11 11 SER C C 109 174.504 172.814 1.690 1 1 942 . 9 2 2 B 11 11 SER CA C 109 58.919 57.573 1.346 1 1 943 . 9 2 2 B 11 11 SER CB C 109 64.198 64.610 -0.412 1 1 944 . 9 2 2 B 11 11 SER N N 109 117.260 116.632 0.628 1 1 945 . 9 2 2 B 12 12 ASP H H 110 8.323 8.746 -0.423 1 1 946 . 9 2 2 B 12 12 ASP HA H 110 4.620 5.133 -0.513 1 1 949 . 9 2 2 B 12 12 ASP C C 110 176.058 175.875 0.183 1 1 950 . 9 2 2 B 12 12 ASP CA C 110 55.022 52.491 2.531 1 1 951 . 9 2 2 B 12 12 ASP CB C 110 41.825 44.652 -2.827 1 1 952 . 9 2 2 B 12 12 ASP N N 110 122.020 123.681 -1.661 1 1 986 . 9 2 2 B 16 16 GLU H H 114 8.378 8.679 -0.301 1 1 987 . 9 2 2 B 16 16 GLU HA H 114 4.268 4.705 -0.437 1 1 992 . 9 2 2 B 16 16 GLU C C 114 176.766 174.491 2.275 1 1 993 . 9 2 2 B 16 16 GLU CA C 114 57.410 55.474 1.936 1 1 994 . 9 2 2 B 16 16 GLU CB C 114 30.620 33.520 -2.900 1 1 996 . 9 2 2 B 16 16 GLU N N 114 123.052 124.758 -1.706 1 1 997 . 9 2 2 B 17 17 GLU H H 115 8.326 8.443 -0.117 1 1 998 . 9 2 2 B 17 17 GLU HA H 115 4.274 4.320 -0.046 1 1 1003 . 9 2 2 B 17 17 GLU C C 115 176.880 176.298 0.582 1 1 1004 . 9 2 2 B 17 17 GLU CA C 115 57.410 56.029 1.381 1 1 1005 . 9 2 2 B 17 17 GLU CB C 115 30.525 30.327 0.198 1 1 1007 . 9 2 2 B 17 17 GLU N N 115 121.688 121.689 -0.001 1 1 1008 . 9 2 2 B 18 18 MET H H 116 8.309 8.694 -0.385 1 1 1009 . 9 2 2 B 18 18 MET HA H 116 4.473 4.374 0.099 1 1 1014 . 9 2 2 B 18 18 MET C C 116 177.086 176.902 0.184 1 1 1015 . 9 2 2 B 18 18 MET CA C 116 56.279 55.917 0.362 1 1 1016 . 9 2 2 B 18 18 MET CB C 116 33.026 33.022 0.004 1 1 1017 . 9 2 2 B 18 18 MET N N 116 121.270 121.134 0.136 1 1 1018 . 9 2 2 B 19 19 GLY H H 117 8.335 8.348 -0.013 1 1 1019 . 9 2 2 B 19 19 GLY HA2 H 117 4.054 4.101 -0.047 1 1 1020 . 9 2 2 B 19 19 GLY HA3 H 117 4.054 4.101 -0.047 1 1 1021 . 9 2 2 B 19 19 GLY C C 117 174.481 174.951 -0.470 1 1 1022 . 9 2 2 B 19 19 GLY CA C 117 45.847 44.374 1.473 1 1 1023 . 9 2 2 B 19 19 GLY N N 117 110.055 109.935 0.120 1 1 1024 . 9 2 2 B 20 20 SER H H 118 8.230 8.346 -0.116 1 1 1025 . 9 2 2 B 20 20 SER HA H 118 4.476 4.197 0.279 1 1 1028 . 9 2 2 B 20 20 SER C C 118 175.327 175.145 0.182 1 1 1029 . 9 2 2 B 20 20 SER CA C 118 58.919 61.458 -2.539 1 1 1030 . 9 2 2 B 20 20 SER CB C 118 64.575 63.384 1.191 1 1 1031 . 9 2 2 B 20 20 SER N N 118 115.664 116.250 -0.586 1 1 1032 . 9 2 2 B 21 21 GLY H H 119 8.354 8.264 0.090 1 1 1033 . 9 2 2 B 21 21 GLY HA2 H 119 3.941 3.970 -0.029 1 1 1034 . 9 2 2 B 21 21 GLY HA3 H 119 3.941 3.971 -0.030 1 1 1035 . 9 2 2 B 21 21 GLY C C 119 174.002 173.361 0.641 1 1 1036 . 9 2 2 B 21 21 GLY CA C 119 45.721 46.543 -0.822 1 1 1037 . 9 2 2 B 21 21 GLY N N 119 110.872 107.808 3.064 1 1 1068 . 9 2 2 B 25 25 SER H H 123 8.155 8.195 -0.040 1 1 1069 . 9 2 2 B 25 25 SER HA H 123 4.391 4.057 0.334 1 1 1072 . 9 2 2 B 25 25 SER C C 123 175.075 172.775 2.300 1 1 1073 . 9 2 2 B 25 25 SER CA C 123 59.347 59.535 -0.188 1 1 1074 . 9 2 2 B 25 25 SER CB C 123 63.879 62.547 1.332 1 1 1075 . 9 2 2 B 25 25 SER N N 123 116.126 113.972 2.154 1 1 1076 . 9 2 2 B 26 26 MET H H 124 8.221 7.487 0.734 1 1 1077 . 9 2 2 B 26 26 MET HA H 124 4.476 5.148 -0.672 1 1 1082 . 9 2 2 B 26 26 MET C C 124 176.355 174.986 1.369 1 1 1083 . 9 2 2 B 26 26 MET CA C 124 56.279 54.796 1.483 1 1 1084 . 9 2 2 B 26 26 MET CB C 124 32.900 36.540 -3.640 1 1 1086 . 9 2 2 B 26 26 MET N N 124 121.210 119.630 1.580 1 1 1087 . 9 2 2 B 27 27 LYS H H 125 8.025 8.813 -0.788 1 1 1088 . 9 2 2 B 27 27 LYS HA H 125 4.312 4.973 -0.661 1 1 1097 . 9 2 2 B 27 27 LYS C C 125 176.355 174.858 1.497 1 1 1098 . 9 2 2 B 27 27 LYS CA C 125 56.656 54.490 2.166 1 1 1099 . 9 2 2 B 27 27 LYS CB C 125 33.529 37.096 -3.567 1 1 1103 . 9 2 2 B 27 27 LYS N N 125 121.457 122.309 -0.852 1 1 1104 . 9 2 2 B 28 28 GLU H H 126 8.222 8.943 -0.721 1 1 1105 . 9 2 2 B 28 28 GLU N N 126 122.740 118.445 4.295 1 1 1106 . 9 2 2 B 29 29 PRO HA H 127 4.355 4.668 -0.313 1 1 1113 . 9 2 2 B 29 29 PRO C C 127 176.812 177.448 -0.636 1 1 1114 . 9 2 2 B 29 29 PRO CA C 127 63.821 62.738 1.083 1 1 1115 . 9 2 2 B 29 29 PRO CB C 127 32.272 31.525 0.747 1 1 1118 . 9 2 2 B 30 30 ALA H H 128 8.267 8.277 -0.010 1 1 1119 . 9 2 2 B 30 30 ALA HA H 128 4.269 4.087 0.182 1 1 1123 . 9 2 2 B 30 30 ALA C C 128 177.589 178.331 -0.742 1 1 1124 . 9 2 2 B 30 30 ALA CA C 128 52.873 55.007 -2.134 1 1 1125 . 9 2 2 B 30 30 ALA CB C 128 19.703 19.366 0.337 1 1 1126 . 9 2 2 B 30 30 ALA N N 128 123.577 127.638 -4.061 1 1 1127 . 9 2 2 B 31 31 PHE H H 129 8.019 8.177 -0.158 1 1 1128 . 9 2 2 B 31 31 PHE HA H 129 4.621 4.453 0.168 1 1 1136 . 9 2 2 B 31 31 PHE C C 129 175.624 175.042 0.582 1 1 1137 . 9 2 2 B 31 31 PHE CA C 129 58.039 59.975 -1.936 1 1 1138 . 9 2 2 B 31 31 PHE CB C 129 40.055 38.620 1.435 1 1 1142 . 9 2 2 B 31 31 PHE N N 129 118.994 117.450 1.544 1 1 1143 . 9 2 2 B 32 32 ARG H H 130 8.029 8.533 -0.504 1 1 1144 . 9 2 2 B 32 32 ARG HA H 130 4.309 4.316 -0.007 1 1 1151 . 9 2 2 B 32 32 ARG C C 130 175.875 176.034 -0.159 1 1 1152 . 9 2 2 B 32 32 ARG CA C 130 56.154 55.772 0.382 1 1 1153 . 9 2 2 B 32 32 ARG CB C 130 31.643 31.790 -0.147 1 1 1156 . 9 2 2 B 32 32 ARG N N 130 122.929 120.648 2.281 1 1 1157 . 9 2 2 B 33 33 GLU H H 131 8.374 8.532 -0.158 1 1 1158 . 9 2 2 B 33 33 GLU HA H 131 4.276 4.530 -0.254 1 1 1163 . 9 2 2 B 33 33 GLU C C 131 176.766 175.097 1.669 1 1 1164 . 9 2 2 B 33 33 GLU CA C 131 57.285 56.220 1.065 1 1 1165 . 9 2 2 B 33 33 GLU CB C 131 30.512 29.089 1.423 1 1 1167 . 9 2 2 B 33 33 GLU N N 131 122.719 120.710 2.009 1 1 1168 . 9 2 2 B 34 34 GLU H H 132 8.509 8.589 -0.080 1 1 1169 . 9 2 2 B 34 34 GLU HA H 132 4.271 4.892 -0.621 1 1 1174 . 9 2 2 B 34 34 GLU C C 132 176.560 175.153 1.407 1 1 1175 . 9 2 2 B 34 34 GLU CA C 132 57.400 54.510 2.890 1 1 1176 . 9 2 2 B 34 34 GLU CB C 132 30.530 32.697 -2.167 1 1 1178 . 9 2 2 B 34 34 GLU N N 132 122.122 122.975 -0.853 1 1 1179 . 9 2 2 B 35 35 ASN H H 133 8.362 8.782 -0.420 1 1 1180 . 9 2 2 B 35 35 ASN HA H 133 4.693 4.822 -0.129 1 1 1183 . 9 2 2 B 35 35 ASN C C 133 175.258 174.117 1.141 1 1 1184 . 9 2 2 B 35 35 ASN CA C 133 53.765 52.829 0.936 1 1 1185 . 9 2 2 B 35 35 ASN CB C 133 39.562 38.670 0.892 1 1 1186 . 9 2 2 B 35 35 ASN N N 133 119.552 123.503 -3.951 1 1 1187 . 9 2 2 B 36 36 ALA H H 134 8.155 8.535 -0.380 1 1 1188 . 9 2 2 B 36 36 ALA HA H 134 4.265 4.392 -0.127 1 1 1192 . 9 2 2 B 36 36 ALA C C 134 177.520 176.317 1.203 1 1 1193 . 9 2 2 B 36 36 ALA CA C 134 52.873 51.772 1.101 1 1 1194 . 9 2 2 B 36 36 ALA CB C 134 19.703 17.583 2.120 1 1 1195 . 9 2 2 B 36 36 ALA N N 134 124.376 130.167 -5.791 1 1 1196 . 9 2 2 B 37 37 ASN H H 135 8.210 7.786 0.424 1 1 1197 . 9 2 2 B 37 37 ASN HA H 135 4.688 4.808 -0.120 1 1 1200 . 9 2 2 B 37 37 ASN C C 135 175.144 173.359 1.785 1 1 1201 . 9 2 2 B 37 37 ASN CA C 135 53.640 51.939 1.701 1 1 1202 . 9 2 2 B 37 37 ASN CB C 135 39.311 41.883 -2.572 1 1 1203 . 9 2 2 B 37 37 ASN N N 135 117.103 120.641 -3.538 1 1 1204 . 9 2 2 B 38 38 PHE H H 136 7.997 8.583 -0.586 1 1 1205 . 9 2 2 B 38 38 PHE HA H 136 4.623 4.676 -0.053 1 1 1212 . 9 2 2 B 38 38 PHE C C 136 175.601 175.384 0.217 1 1 1213 . 9 2 2 B 38 38 PHE CA C 136 58.165 58.284 -0.119 1 1 1214 . 9 2 2 B 38 38 PHE CB C 136 39.939 38.577 1.362 1 1 1217 . 9 2 2 B 38 38 PHE N N 136 120.229 119.668 0.561 1 1 1218 . 9 2 2 B 39 39 ASN H H 137 8.272 8.454 -0.182 1 1 1219 . 9 2 2 B 39 39 ASN HA H 137 4.702 5.459 -0.757 1 1 1222 . 9 2 2 B 39 39 ASN C C 137 174.047 173.698 0.349 1 1 1223 . 9 2 2 B 39 39 ASN CA C 137 53.891 52.019 1.872 1 1 1224 . 9 2 2 B 39 39 ASN CB C 137 39.688 42.548 -2.860 1 1 1225 . 9 2 2 B 39 39 ASN N N 137 120.594 120.437 0.157 1 1 3 . 10 1 1 A 4 4 PRO HA H 2 4.510 4.633 -0.123 1 1 10 . 10 1 1 A 4 4 PRO C C 2 177.132 175.487 1.645 1 1 11 . 10 1 1 A 4 4 PRO CA C 2 63.529 62.376 1.153 1 1 12 . 10 1 1 A 4 4 PRO CB C 2 32.476 32.536 -0.060 1 1 15 . 10 1 1 A 5 5 VAL H H 3 8.201 8.572 -0.371 1 1 16 . 10 1 1 A 5 5 VAL HA H 3 4.140 4.293 -0.153 1 1 24 . 10 1 1 A 5 5 VAL C C 3 176.423 174.647 1.776 1 1 25 . 10 1 1 A 5 5 VAL CA C 3 62.873 61.523 1.350 1 1 26 . 10 1 1 A 5 5 VAL CB C 3 33.455 31.334 2.121 1 1 28 . 10 1 1 A 5 5 VAL N N 3 120.488 122.244 -1.756 1 1 29 . 10 1 1 A 6 6 SER H H 4 8.276 8.895 -0.619 1 1 30 . 10 1 1 A 6 6 SER HA H 4 4.487 4.641 -0.154 1 1 33 . 10 1 1 A 6 6 SER C C 4 174.687 172.777 1.910 1 1 34 . 10 1 1 A 6 6 SER CA C 4 58.375 57.035 1.340 1 1 35 . 10 1 1 A 6 6 SER CB C 4 64.295 63.218 1.077 1 1 36 . 10 1 1 A 6 6 SER N N 4 119.000 123.080 -4.080 1 1 37 . 10 1 1 A 7 7 LEU H H 5 8.238 8.343 -0.105 1 1 38 . 10 1 1 A 7 7 LEU HA H 5 4.397 4.904 -0.507 1 1 44 . 10 1 1 A 7 7 LEU C C 5 177.406 175.913 1.493 1 1 45 . 10 1 1 A 7 7 LEU CA C 5 55.766 54.196 1.570 1 1 46 . 10 1 1 A 7 7 LEU CB C 5 43.132 41.104 2.028 1 1 48 . 10 1 1 A 7 7 LEU N N 5 124.704 128.396 -3.692 1 1 49 . 10 1 1 A 8 8 SER H H 6 8.148 8.490 -0.342 1 1 50 . 10 1 1 A 8 8 SER HA H 6 4.438 4.886 -0.448 1 1 53 . 10 1 1 A 8 8 SER C C 6 174.321 172.063 2.258 1 1 54 . 10 1 1 A 8 8 SER CA C 6 58.718 57.528 1.190 1 1 55 . 10 1 1 A 8 8 SER CB C 6 64.295 67.189 -2.894 1 1 56 . 10 1 1 A 8 8 SER N N 6 115.960 119.401 -3.441 1 1 57 . 10 1 1 A 9 9 TYR H H 7 7.915 8.837 -0.922 1 1 58 . 10 1 1 A 9 9 TYR HA H 7 4.585 4.856 -0.271 1 1 65 . 10 1 1 A 9 9 TYR C C 7 175.532 175.864 -0.332 1 1 66 . 10 1 1 A 9 9 TYR CA C 7 58.335 56.973 1.362 1 1 67 . 10 1 1 A 9 9 TYR CB C 7 39.474 37.667 1.807 1 1 70 . 10 1 1 A 9 9 TYR N N 7 121.884 120.370 1.514 1 1 71 . 10 1 1 A 10 10 ARG H H 8 8.117 8.073 0.044 1 1 72 . 10 1 1 A 10 10 ARG HA H 8 4.337 5.000 -0.663 1 1 79 . 10 1 1 A 10 10 ARG C C 8 175.898 175.031 0.867 1 1 80 . 10 1 1 A 10 10 ARG CA C 8 56.048 54.290 1.758 1 1 81 . 10 1 1 A 10 10 ARG CB C 8 31.492 34.046 -2.554 1 1 84 . 10 1 1 A 10 10 ARG N N 8 121.977 122.769 -0.792 1 1 85 . 10 1 1 A 11 11 CYS H H 9 8.127 8.552 -0.425 1 1 86 . 10 1 1 A 11 11 CYS HA H 9 4.984 5.093 -0.109 1 1 89 . 10 1 1 A 11 11 CYS C C 9 177.771 173.583 4.188 1 1 90 . 10 1 1 A 11 11 CYS CA C 9 53.192 53.774 -0.582 1 1 91 . 10 1 1 A 11 11 CYS CB C 9 40.897 45.657 -4.760 1 1 92 . 10 1 1 A 11 11 CYS N N 9 121.209 119.291 1.918 1 1 93 . 10 1 1 A 12 12 PRO HA H 10 4.321 4.357 -0.036 1 1 100 . 10 1 1 A 12 12 PRO CA C 10 65.478 65.466 0.012 1 1 101 . 10 1 1 A 12 12 PRO CB C 10 32.904 31.357 1.547 1 1 104 . 10 1 1 A 13 13 CYS H H 11 8.633 8.060 0.573 1 1 105 . 10 1 1 A 13 13 CYS C C 11 174.618 173.233 1.385 1 1 106 . 10 1 1 A 13 13 CYS N N 11 114.595 116.392 -1.797 1 1 107 . 10 1 1 A 14 14 ARG H H 12 8.236 8.816 -0.580 1 1 108 . 10 1 1 A 14 14 ARG HA H 12 4.067 4.269 -0.202 1 1 115 . 10 1 1 A 14 14 ARG C C 12 175.098 175.414 -0.316 1 1 116 . 10 1 1 A 14 14 ARG CA C 12 57.370 56.984 0.386 1 1 117 . 10 1 1 A 14 14 ARG CB C 12 31.631 31.356 0.275 1 1 120 . 10 1 1 A 14 14 ARG N N 12 122.779 125.192 -2.413 1 1 121 . 10 1 1 A 15 15 PHE H H 13 7.571 7.739 -0.168 1 1 122 . 10 1 1 A 15 15 PHE HA H 13 4.510 5.159 -0.649 1 1 129 . 10 1 1 A 15 15 PHE C C 13 174.162 174.697 -0.535 1 1 130 . 10 1 1 A 15 15 PHE CA C 13 56.289 56.361 -0.072 1 1 131 . 10 1 1 A 15 15 PHE CB C 13 41.320 41.501 -0.181 1 1 134 . 10 1 1 A 15 15 PHE N N 13 116.797 116.739 0.058 1 1 135 . 10 1 1 A 16 16 PHE H H 14 8.084 9.233 -1.149 1 1 136 . 10 1 1 A 16 16 PHE HA H 14 4.767 4.974 -0.207 1 1 143 . 10 1 1 A 16 16 PHE C C 14 175.441 175.338 0.103 1 1 144 . 10 1 1 A 16 16 PHE CA C 14 55.767 56.247 -0.480 1 1 145 . 10 1 1 A 16 16 PHE CB C 14 41.320 41.980 -0.660 1 1 148 . 10 1 1 A 16 16 PHE N N 14 118.930 120.831 -1.901 1 1 149 . 10 1 1 A 17 17 GLU H H 15 8.815 9.219 -0.404 1 1 150 . 10 1 1 A 17 17 GLU HA H 15 4.579 4.437 0.142 1 1 155 . 10 1 1 A 17 17 GLU C C 15 176.857 176.865 -0.008 1 1 156 . 10 1 1 A 17 17 GLU CA C 15 56.289 57.292 -1.003 1 1 157 . 10 1 1 A 17 17 GLU CB C 15 31.173 30.244 0.929 1 1 159 . 10 1 1 A 17 17 GLU N N 15 122.929 124.530 -1.601 1 1 160 . 10 1 1 A 18 18 SER H H 16 8.751 8.828 -0.077 1 1 161 . 10 1 1 A 18 18 SER HA H 16 4.762 4.635 0.127 1 1 164 . 10 1 1 A 18 18 SER C C 16 177.497 174.512 2.985 1 1 165 . 10 1 1 A 18 18 SER CA C 16 59.328 58.780 0.548 1 1 166 . 10 1 1 A 18 18 SER CB C 16 64.515 64.287 0.228 1 1 167 . 10 1 1 A 18 18 SER N N 16 118.860 114.999 3.861 1 1 168 . 10 1 1 A 19 19 HIS H H 17 8.761 8.389 0.372 1 1 169 . 10 1 1 A 19 19 HIS HA H 17 4.832 4.788 0.044 1 1 174 . 10 1 1 A 19 19 HIS C C 17 174.618 174.457 0.161 1 1 175 . 10 1 1 A 19 19 HIS CA C 17 56.449 54.816 1.633 1 1 176 . 10 1 1 A 19 19 HIS CB C 17 30.214 27.497 2.717 1 1 179 . 10 1 1 A 19 19 HIS N N 17 120.535 118.239 2.296 1 1 180 . 10 1 1 A 20 20 VAL H H 18 7.085 8.790 -1.705 1 1 181 . 10 1 1 A 20 20 VAL HA H 18 4.160 4.509 -0.349 1 1 189 . 10 1 1 A 20 20 VAL C C 18 174.436 174.785 -0.349 1 1 190 . 10 1 1 A 20 20 VAL CA C 18 62.167 60.743 1.424 1 1 191 . 10 1 1 A 20 20 VAL CB C 18 34.426 34.379 0.047 1 1 193 . 10 1 1 A 20 20 VAL N N 18 120.872 123.317 -2.445 1 1 194 . 10 1 1 A 21 21 ALA H H 19 8.521 8.752 -0.231 1 1 195 . 10 1 1 A 21 21 ALA HA H 19 4.367 4.243 0.124 1 1 199 . 10 1 1 A 21 21 ALA C C 19 177.657 178.315 -0.658 1 1 200 . 10 1 1 A 21 21 ALA CA C 19 51.193 51.736 -0.543 1 1 201 . 10 1 1 A 21 21 ALA CB C 19 19.790 19.023 0.767 1 1 202 . 10 1 1 A 21 21 ALA N N 19 131.339 127.711 3.628 1 1 203 . 10 1 1 A 22 22 ARG H H 20 7.790 8.217 -0.427 1 1 204 . 10 1 1 A 22 22 ARG HA H 20 2.451 3.376 -0.925 1 1 211 . 10 1 1 A 22 22 ARG C C 20 178.365 176.828 1.537 1 1 212 . 10 1 1 A 22 22 ARG CA C 20 59.379 57.676 1.703 1 1 213 . 10 1 1 A 22 22 ARG CB C 20 29.572 29.230 0.342 1 1 216 . 10 1 1 A 22 22 ARG N N 20 124.365 123.805 0.560 1 1 217 . 10 1 1 A 23 23 ALA H H 21 8.120 7.470 0.650 1 1 218 . 10 1 1 A 23 23 ALA HA H 21 4.060 4.153 -0.093 1 1 222 . 10 1 1 A 23 23 ALA C C 21 178.000 177.949 0.051 1 1 223 . 10 1 1 A 23 23 ALA CA C 21 54.100 53.227 0.873 1 1 224 . 10 1 1 A 23 23 ALA CB C 21 18.713 18.688 0.025 1 1 225 . 10 1 1 A 23 23 ALA N N 21 117.156 121.230 -4.074 1 1 226 . 10 1 1 A 24 24 ASN H H 22 7.707 7.991 -0.284 1 1 227 . 10 1 1 A 24 24 ASN HA H 22 5.010 4.797 0.213 1 1 232 . 10 1 1 A 24 24 ASN C C 22 174.938 174.817 0.121 1 1 233 . 10 1 1 A 24 24 ASN CA C 22 52.869 52.473 0.396 1 1 234 . 10 1 1 A 24 24 ASN CB C 22 40.573 38.826 1.747 1 1 235 . 10 1 1 A 24 24 ASN N N 22 112.819 115.121 -2.302 1 1 237 . 10 1 1 A 25 25 VAL H H 23 7.489 7.402 0.087 1 1 238 . 10 1 1 A 25 25 VAL HA H 23 4.888 4.353 0.535 1 1 246 . 10 1 1 A 25 25 VAL C C 23 175.829 176.152 -0.323 1 1 247 . 10 1 1 A 25 25 VAL CA C 23 59.870 60.471 -0.601 1 1 248 . 10 1 1 A 25 25 VAL CB C 23 35.396 33.507 1.889 1 1 251 . 10 1 1 A 25 25 VAL N N 23 119.721 117.160 2.561 1 1 252 . 10 1 1 A 26 26 LYS H H 24 9.480 9.326 0.154 1 1 253 . 10 1 1 A 26 26 LYS HA H 24 4.353 4.187 0.166 1 1 262 . 10 1 1 A 26 26 LYS C C 24 176.606 176.942 -0.336 1 1 263 . 10 1 1 A 26 26 LYS CA C 24 58.977 58.354 0.623 1 1 264 . 10 1 1 A 26 26 LYS CB C 24 34.567 33.001 1.566 1 1 268 . 10 1 1 A 26 26 LYS N N 24 127.843 124.297 3.546 1 1 269 . 10 1 1 A 27 27 HIS H H 25 7.237 7.814 -0.577 1 1 270 . 10 1 1 A 27 27 HIS HA H 25 4.979 4.958 0.021 1 1 275 . 10 1 1 A 27 27 HIS C C 25 178.434 172.795 5.639 1 1 276 . 10 1 1 A 27 27 HIS CA C 25 55.406 54.925 0.481 1 1 277 . 10 1 1 A 27 27 HIS CB C 25 32.480 31.488 0.992 1 1 280 . 10 1 1 A 27 27 HIS N N 25 109.556 112.506 -2.950 1 1 281 . 10 1 1 A 28 28 LEU H H 26 8.189 8.612 -0.423 1 1 282 . 10 1 1 A 28 28 LEU HA H 26 5.190 5.165 0.025 1 1 292 . 10 1 1 A 28 28 LEU C C 26 175.510 175.165 0.345 1 1 293 . 10 1 1 A 28 28 LEU CA C 26 53.480 53.271 0.209 1 1 294 . 10 1 1 A 28 28 LEU CB C 26 45.235 45.286 -0.051 1 1 298 . 10 1 1 A 28 28 LEU N N 26 117.260 119.127 -1.867 1 1 299 . 10 1 1 A 29 29 LYS H H 27 9.572 8.866 0.706 1 1 300 . 10 1 1 A 29 29 LYS HA H 27 5.372 5.096 0.276 1 1 309 . 10 1 1 A 29 29 LYS C C 27 174.801 174.643 0.158 1 1 310 . 10 1 1 A 29 29 LYS CA C 27 55.165 54.605 0.560 1 1 311 . 10 1 1 A 29 29 LYS CB C 27 35.253 35.524 -0.271 1 1 315 . 10 1 1 A 29 29 LYS N N 27 123.488 122.591 0.897 1 1 316 . 10 1 1 A 30 30 ILE H H 28 9.136 8.936 0.200 1 1 317 . 10 1 1 A 30 30 ILE HA H 28 4.924 5.210 -0.286 1 1 327 . 10 1 1 A 30 30 ILE C C 28 176.949 174.545 2.404 1 1 328 . 10 1 1 A 30 30 ILE CA C 28 60.542 59.677 0.865 1 1 329 . 10 1 1 A 30 30 ILE CB C 28 39.600 38.637 0.963 1 1 333 . 10 1 1 A 30 30 ILE N N 28 123.846 127.475 -3.629 1 1 334 . 10 1 1 A 31 31 LEU H H 29 8.805 9.268 -0.463 1 1 335 . 10 1 1 A 31 31 LEU HA H 29 4.535 4.926 -0.391 1 1 344 . 10 1 1 A 31 31 LEU C C 29 176.012 175.798 0.214 1 1 345 . 10 1 1 A 31 31 LEU CA C 29 55.366 53.542 1.824 1 1 346 . 10 1 1 A 31 31 LEU CB C 29 43.180 44.192 -1.012 1 1 349 . 10 1 1 A 31 31 LEU N N 29 128.649 128.701 -0.052 1 1 350 . 10 1 1 A 32 32 ASN H H 30 8.216 8.789 -0.573 1 1 351 . 10 1 1 A 32 32 ASN HA H 30 5.005 5.125 -0.120 1 1 356 . 10 1 1 A 32 32 ASN C C 30 174.664 174.085 0.579 1 1 357 . 10 1 1 A 32 32 ASN CA C 30 52.517 51.945 0.572 1 1 358 . 10 1 1 A 32 32 ASN CB C 30 38.776 39.529 -0.753 1 1 359 . 10 1 1 A 32 32 ASN N N 30 120.791 123.697 -2.906 1 1 361 . 10 1 1 A 33 33 THR H H 31 7.883 8.288 -0.405 1 1 362 . 10 1 1 A 33 33 THR HA H 31 4.842 5.078 -0.236 1 1 367 . 10 1 1 A 33 33 THR CA C 31 58.369 58.215 0.154 1 1 368 . 10 1 1 A 33 33 THR CB C 31 70.018 70.487 -0.469 1 1 370 . 10 1 1 A 33 33 THR N N 31 115.811 117.508 -1.697 1 1 371 . 10 1 1 A 34 34 PRO HA H 32 4.317 4.540 -0.223 1 1 378 . 10 1 1 A 34 34 PRO CA C 32 65.164 63.964 1.200 1 1 379 . 10 1 1 A 34 34 PRO CB C 32 32.484 31.924 0.560 1 1 382 . 10 1 1 A 35 35 ASN H H 33 8.259 8.514 -0.255 1 1 383 . 10 1 1 A 35 35 ASN HA H 33 4.651 5.050 -0.399 1 1 388 . 10 1 1 A 35 35 ASN C C 33 174.710 173.988 0.722 1 1 389 . 10 1 1 A 35 35 ASN CA C 33 54.532 52.605 1.927 1 1 390 . 10 1 1 A 35 35 ASN CB C 33 39.167 40.924 -1.757 1 1 391 . 10 1 1 A 35 35 ASN N N 33 120.081 115.926 4.155 1 1 393 . 10 1 1 A 36 36 CYS H H 34 7.569 7.431 0.138 1 1 394 . 10 1 1 A 36 36 CYS HA H 34 4.675 5.001 -0.326 1 1 397 . 10 1 1 A 36 36 CYS C C 34 173.865 173.027 0.838 1 1 398 . 10 1 1 A 36 36 CYS CA C 34 55.447 54.841 0.606 1 1 399 . 10 1 1 A 36 36 CYS CB C 34 45.228 47.599 -2.371 1 1 400 . 10 1 1 A 36 36 CYS N N 34 117.076 115.960 1.116 1 1 401 . 10 1 1 A 37 37 ALA H H 35 8.472 8.372 0.100 1 1 402 . 10 1 1 A 37 37 ALA HA H 35 4.223 4.300 -0.077 1 1 406 . 10 1 1 A 37 37 ALA C C 35 176.423 177.154 -0.731 1 1 407 . 10 1 1 A 37 37 ALA CA C 35 53.537 51.910 1.627 1 1 408 . 10 1 1 A 37 37 ALA CB C 35 19.202 20.071 -0.869 1 1 409 . 10 1 1 A 37 37 ALA N N 35 125.153 124.845 0.308 1 1 410 . 10 1 1 A 38 38 CYS H H 36 8.316 8.304 0.012 1 1 411 . 10 1 1 A 38 38 CYS HA H 36 4.196 4.226 -0.030 1 1 414 . 10 1 1 A 38 38 CYS C C 36 173.705 174.277 -0.572 1 1 415 . 10 1 1 A 38 38 CYS CA C 36 58.616 60.053 -1.437 1 1 416 . 10 1 1 A 38 38 CYS CB C 36 45.705 27.925 17.780 1 1 417 . 10 1 1 A 38 38 CYS N N 36 118.837 118.252 0.585 1 1 418 . 10 1 1 A 39 39 GLN H H 37 8.928 8.394 0.534 1 1 419 . 10 1 1 A 39 39 GLN HA H 37 4.596 4.984 -0.388 1 1 426 . 10 1 1 A 39 39 GLN C C 37 173.636 174.562 -0.926 1 1 427 . 10 1 1 A 39 39 GLN CA C 37 54.603 54.407 0.196 1 1 428 . 10 1 1 A 39 39 GLN CB C 37 31.761 31.749 0.012 1 1 430 . 10 1 1 A 39 39 GLN N N 37 128.567 125.233 3.334 1 1 432 . 10 1 1 A 40 40 ILE H H 38 8.851 9.115 -0.264 1 1 433 . 10 1 1 A 40 40 ILE HA H 38 5.087 4.949 0.138 1 1 443 . 10 1 1 A 40 40 ILE C C 38 174.390 174.914 -0.524 1 1 444 . 10 1 1 A 40 40 ILE CA C 38 60.582 59.883 0.699 1 1 445 . 10 1 1 A 40 40 ILE CB C 38 40.048 40.022 0.026 1 1 449 . 10 1 1 A 40 40 ILE N N 38 123.962 124.358 -0.396 1 1 450 . 10 1 1 A 41 41 VAL H H 39 9.090 9.244 -0.154 1 1 451 . 10 1 1 A 41 41 VAL HA H 39 4.822 4.977 -0.155 1 1 459 . 10 1 1 A 41 41 VAL C C 39 175.487 174.649 0.838 1 1 460 . 10 1 1 A 41 41 VAL CA C 39 59.980 60.699 -0.719 1 1 461 . 10 1 1 A 41 41 VAL CB C 39 35.868 34.746 1.122 1 1 464 . 10 1 1 A 41 41 VAL N N 39 126.354 128.294 -1.940 1 1 465 . 10 1 1 A 42 42 ALA H H 40 9.513 9.163 0.350 1 1 466 . 10 1 1 A 42 42 ALA HA H 40 5.137 5.372 -0.235 1 1 470 . 10 1 1 A 42 42 ALA C C 40 175.944 176.031 -0.087 1 1 471 . 10 1 1 A 42 42 ALA CA C 40 50.591 50.540 0.051 1 1 472 . 10 1 1 A 42 42 ALA CB C 40 22.432 23.206 -0.774 1 1 473 . 10 1 1 A 42 42 ALA N N 40 128.406 128.468 -0.062 1 1 474 . 10 1 1 A 43 43 ARG H H 41 7.720 8.816 -1.096 1 1 475 . 10 1 1 A 43 43 ARG HA H 41 4.959 4.780 0.179 1 1 482 . 10 1 1 A 43 43 ARG C C 41 175.510 175.972 -0.462 1 1 483 . 10 1 1 A 43 43 ARG CA C 41 54.162 54.764 -0.602 1 1 484 . 10 1 1 A 43 43 ARG CB C 41 31.200 33.147 -1.947 1 1 487 . 10 1 1 A 43 43 ARG N N 41 121.795 121.593 0.202 1 1 488 . 10 1 1 A 44 44 LEU H H 42 9.164 8.469 0.695 1 1 489 . 10 1 1 A 44 44 LEU HA H 42 5.021 4.290 0.731 1 1 499 . 10 1 1 A 44 44 LEU C C 42 177.840 177.098 0.742 1 1 500 . 10 1 1 A 44 44 LEU CA C 42 54.724 55.535 -0.811 1 1 501 . 10 1 1 A 44 44 LEU CB C 42 41.712 42.093 -0.381 1 1 505 . 10 1 1 A 44 44 LEU N N 42 129.087 124.144 4.943 1 1 506 . 10 1 1 A 45 45 LYS H H 43 8.396 8.542 -0.146 1 1 507 . 10 1 1 A 45 45 LYS HA H 43 3.950 4.559 -0.609 1 1 516 . 10 1 1 A 45 45 LYS CA C 43 59.016 56.069 2.947 1 1 517 . 10 1 1 A 45 45 LYS CB C 43 34.102 32.752 1.350 1 1 520 . 10 1 1 A 45 45 LYS N N 43 119.674 122.580 -2.906 1 1 521 . 10 1 1 A 48 48 ASN HA H 46 4.709 5.251 -0.542 1 1 526 . 10 1 1 A 48 48 ASN C C 46 175.098 174.309 0.789 1 1 527 . 10 1 1 A 48 48 ASN CA C 46 54.764 51.760 3.004 1 1 528 . 10 1 1 A 48 48 ASN CB C 46 39.265 41.903 -2.638 1 1 530 . 10 1 1 A 49 49 ARG H H 47 7.923 8.424 -0.501 1 1 531 . 10 1 1 A 49 49 ARG HA H 47 4.368 4.692 -0.324 1 1 538 . 10 1 1 A 49 49 ARG C C 47 175.601 175.835 -0.234 1 1 539 . 10 1 1 A 49 49 ARG CA C 47 57.051 54.530 2.521 1 1 540 . 10 1 1 A 49 49 ARG CB C 47 32.121 31.573 0.548 1 1 543 . 10 1 1 A 49 49 ARG N N 47 119.826 118.284 1.542 1 1 544 . 10 1 1 A 50 50 GLN H H 48 8.547 8.444 0.103 1 1 545 . 10 1 1 A 50 50 GLN HA H 48 5.441 4.934 0.507 1 1 552 . 10 1 1 A 50 50 GLN C C 48 175.578 175.588 -0.010 1 1 553 . 10 1 1 A 50 50 GLN CA C 48 55.125 54.881 0.244 1 1 554 . 10 1 1 A 50 50 GLN CB C 48 32.121 30.830 1.291 1 1 556 . 10 1 1 A 50 50 GLN N N 48 120.767 117.653 3.114 1 1 558 . 10 1 1 A 51 51 VAL H H 49 8.630 9.338 -0.708 1 1 559 . 10 1 1 A 51 51 VAL HA H 49 4.826 4.853 -0.027 1 1 567 . 10 1 1 A 51 51 VAL C C 49 175.258 174.284 0.974 1 1 568 . 10 1 1 A 51 51 VAL CA C 49 59.338 59.357 -0.019 1 1 569 . 10 1 1 A 51 51 VAL CB C 49 36.155 35.019 1.136 1 1 572 . 10 1 1 A 51 51 VAL N N 49 116.678 116.420 0.258 1 1 573 . 10 1 1 A 52 52 CYS H H 50 9.095 8.955 0.140 1 1 574 . 10 1 1 A 52 52 CYS HA H 50 5.278 5.332 -0.054 1 1 577 . 10 1 1 A 52 52 CYS C C 50 174.527 172.794 1.733 1 1 578 . 10 1 1 A 52 52 CYS CA C 50 58.054 54.476 3.578 1 1 579 . 10 1 1 A 52 52 CYS CB C 50 43.162 43.735 -0.573 1 1 580 . 10 1 1 A 52 52 CYS N N 50 124.549 119.780 4.769 1 1 581 . 10 1 1 A 53 53 ILE H H 51 8.485 9.679 -1.194 1 1 582 . 10 1 1 A 53 53 ILE HA H 51 4.973 4.877 0.096 1 1 592 . 10 1 1 A 53 53 ILE C C 51 173.019 174.252 -1.233 1 1 593 . 10 1 1 A 53 53 ILE CA C 51 58.897 60.052 -1.155 1 1 594 . 10 1 1 A 53 53 ILE CB C 51 42.201 41.739 0.462 1 1 598 . 10 1 1 A 53 53 ILE N N 51 122.581 125.771 -3.190 1 1 599 . 10 1 1 A 54 54 ASP H H 52 7.661 8.284 -0.623 1 1 600 . 10 1 1 A 54 54 ASP HA H 52 3.611 4.598 -0.987 1 1 603 . 10 1 1 A 54 54 ASP CA C 52 51.574 51.643 -0.069 1 1 604 . 10 1 1 A 54 54 ASP CB C 52 42.515 42.272 0.243 1 1 605 . 10 1 1 A 54 54 ASP N N 52 125.772 126.354 -0.582 1 1 606 . 10 1 1 A 55 55 PRO HA H 53 4.010 4.348 -0.338 1 1 613 . 10 1 1 A 55 55 PRO C C 53 176.126 176.054 0.072 1 1 614 . 10 1 1 A 55 55 PRO CA C 53 63.993 63.784 0.209 1 1 615 . 10 1 1 A 55 55 PRO CB C 53 33.002 31.944 1.058 1 1 618 . 10 1 1 A 56 56 LYS H H 54 7.930 7.926 0.004 1 1 619 . 10 1 1 A 56 56 LYS HA H 54 3.988 4.403 -0.415 1 1 628 . 10 1 1 A 56 56 LYS C C 54 177.931 176.193 1.738 1 1 629 . 10 1 1 A 56 56 LYS CA C 54 56.770 55.592 1.178 1 1 630 . 10 1 1 A 56 56 LYS CB C 54 32.023 32.663 -0.640 1 1 634 . 10 1 1 A 56 56 LYS N N 54 112.924 116.864 -3.940 1 1 635 . 10 1 1 A 57 57 LEU H H 55 7.161 6.760 0.401 1 1 636 . 10 1 1 A 57 57 LEU HA H 55 4.059 4.260 -0.201 1 1 646 . 10 1 1 A 57 57 LEU C C 55 179.416 177.901 1.515 1 1 647 . 10 1 1 A 57 57 LEU CA C 55 56.088 54.146 1.942 1 1 648 . 10 1 1 A 57 57 LEU CB C 55 42.191 42.458 -0.267 1 1 652 . 10 1 1 A 57 57 LEU N N 55 120.593 121.066 -0.473 1 1 653 . 10 1 1 A 58 58 LYS H H 56 8.720 8.638 0.082 1 1 654 . 10 1 1 A 58 58 LYS HA H 56 3.911 4.416 -0.505 1 1 663 . 10 1 1 A 58 58 LYS C C 56 178.937 178.380 0.557 1 1 664 . 10 1 1 A 58 58 LYS CA C 56 60.301 57.709 2.592 1 1 665 . 10 1 1 A 58 58 LYS CB C 56 32.121 33.725 -1.604 1 1 669 . 10 1 1 A 58 58 LYS N N 56 125.479 123.004 2.475 1 1 670 . 10 1 1 A 59 59 TRP H H 57 7.811 8.275 -0.464 1 1 671 . 10 1 1 A 59 59 TRP HA H 57 4.664 4.519 0.145 1 1 680 . 10 1 1 A 59 59 TRP C C 57 178.868 179.309 -0.441 1 1 681 . 10 1 1 A 59 59 TRP CA C 57 58.897 59.952 -1.055 1 1 682 . 10 1 1 A 59 59 TRP CB C 57 28.036 28.117 -0.081 1 1 688 . 10 1 1 A 59 59 TRP N N 57 113.433 119.794 -6.361 1 1 690 . 10 1 1 A 60 60 ILE H H 58 6.461 7.569 -1.108 1 1 691 . 10 1 1 A 60 60 ILE HA H 58 3.304 3.530 -0.226 1 1 701 . 10 1 1 A 60 60 ILE C C 58 177.726 177.849 -0.123 1 1 702 . 10 1 1 A 60 60 ILE CA C 58 64.314 64.527 -0.213 1 1 703 . 10 1 1 A 60 60 ILE CB C 58 35.897 36.142 -0.245 1 1 707 . 10 1 1 A 60 60 ILE N N 58 124.379 122.570 1.809 1 1 708 . 10 1 1 A 61 61 GLN H H 59 7.624 8.153 -0.529 1 1 709 . 10 1 1 A 61 61 GLN HA H 59 3.748 3.903 -0.155 1 1 716 . 10 1 1 A 61 61 GLN C C 59 178.434 179.081 -0.647 1 1 717 . 10 1 1 A 61 61 GLN CA C 59 59.379 59.061 0.318 1 1 718 . 10 1 1 A 61 61 GLN CB C 59 28.272 28.522 -0.250 1 1 720 . 10 1 1 A 61 61 GLN N N 59 119.070 119.171 -0.101 1 1 722 . 10 1 1 A 62 62 GLU H H 60 8.064 7.920 0.144 1 1 723 . 10 1 1 A 62 62 GLU HA H 60 4.083 4.113 -0.030 1 1 728 . 10 1 1 A 62 62 GLU C C 60 179.051 179.129 -0.078 1 1 729 . 10 1 1 A 62 62 GLU CA C 60 59.659 59.193 0.466 1 1 730 . 10 1 1 A 62 62 GLU CB C 60 30.457 29.836 0.621 1 1 732 . 10 1 1 A 62 62 GLU N N 60 117.166 120.846 -3.680 1 1 733 . 10 1 1 A 63 63 TYR H H 61 7.924 8.093 -0.169 1 1 734 . 10 1 1 A 63 63 TYR HA H 61 4.254 4.306 -0.052 1 1 741 . 10 1 1 A 63 63 TYR C C 61 178.617 177.381 1.236 1 1 742 . 10 1 1 A 63 63 TYR CA C 61 61.184 61.353 -0.169 1 1 743 . 10 1 1 A 63 63 TYR CB C 61 39.461 38.754 0.707 1 1 746 . 10 1 1 A 63 63 TYR N N 61 121.271 122.245 -0.974 1 1 747 . 10 1 1 A 64 64 LEU H H 62 8.260 8.907 -0.647 1 1 748 . 10 1 1 A 64 64 LEU HA H 62 3.954 3.966 -0.012 1 1 758 . 10 1 1 A 64 64 LEU C C 62 179.553 178.804 0.749 1 1 759 . 10 1 1 A 64 64 LEU CA C 62 58.014 58.204 -0.190 1 1 760 . 10 1 1 A 64 64 LEU CB C 62 42.191 41.544 0.647 1 1 764 . 10 1 1 A 64 64 LEU N N 62 116.299 120.121 -3.822 1 1 765 . 10 1 1 A 65 65 GLU H H 63 8.454 8.581 -0.127 1 1 766 . 10 1 1 A 65 65 GLU HA H 63 3.840 3.920 -0.080 1 1 771 . 10 1 1 A 65 65 GLU C C 63 179.279 179.331 -0.052 1 1 772 . 10 1 1 A 65 65 GLU CA C 63 60.301 59.892 0.409 1 1 773 . 10 1 1 A 65 65 GLU CB C 63 29.870 29.215 0.655 1 1 775 . 10 1 1 A 65 65 GLU N N 63 118.616 117.452 1.164 1 1 776 . 10 1 1 A 66 66 LYS H H 64 7.575 8.586 -1.011 1 1 777 . 10 1 1 A 66 66 LYS HA H 64 4.212 4.410 -0.198 1 1 786 . 10 1 1 A 66 66 LYS C C 64 178.457 178.589 -0.132 1 1 787 . 10 1 1 A 66 66 LYS CA C 64 58.496 58.922 -0.426 1 1 788 . 10 1 1 A 66 66 LYS CB C 64 32.400 31.497 0.903 1 1 792 . 10 1 1 A 66 66 LYS N N 64 117.166 118.268 -1.102 1 1 793 . 10 1 1 A 67 67 CYS H H 65 7.918 7.618 0.300 1 1 794 . 10 1 1 A 67 67 CYS HA H 65 4.526 4.308 0.218 1 1 797 . 10 1 1 A 67 67 CYS C C 65 174.893 177.086 -2.193 1 1 798 . 10 1 1 A 67 67 CYS CA C 65 56.329 61.767 -5.438 1 1 799 . 10 1 1 A 67 67 CYS CB C 65 45.235 27.378 17.857 1 1 800 . 10 1 1 A 67 67 CYS N N 65 115.330 119.198 -3.868 1 1 801 . 10 1 1 A 68 68 LEU H H 66 7.559 7.509 0.050 1 1 802 . 10 1 1 A 68 68 LEU HA H 66 4.490 4.010 0.480 1 1 812 . 10 1 1 A 68 68 LEU C C 66 176.812 176.754 0.058 1 1 813 . 10 1 1 A 68 68 LEU CA C 66 55.366 58.072 -2.706 1 1 814 . 10 1 1 A 68 68 LEU CB C 66 43.278 42.106 1.172 1 1 818 . 10 1 1 A 68 68 LEU N N 66 120.930 120.979 -0.049 1 1 819 . 10 1 1 A 69 69 ASN H H 67 8.265 7.784 0.481 1 1 820 . 10 1 1 A 69 69 ASN HA H 67 4.669 4.829 -0.160 1 1 825 . 10 1 1 A 69 69 ASN CA C 67 53.761 54.109 -0.348 1 1 826 . 10 1 1 A 69 69 ASN CB C 67 39.069 41.068 -1.999 1 1 827 . 10 1 1 A 69 69 ASN N N 67 120.279 112.872 7.407 1 1 852 . 10 2 2 B 4 4 GLU H H 102 8.329 9.268 -0.939 1 1 853 . 10 2 2 B 4 4 GLU HA H 102 4.282 3.941 0.341 1 1 858 . 10 2 2 B 4 4 GLU C C 102 177.132 175.749 1.383 1 1 859 . 10 2 2 B 4 4 GLU CA C 102 57.410 57.313 0.097 1 1 861 . 10 2 2 B 4 4 GLU N N 102 121.884 123.683 -1.799 1 1 862 . 10 2 2 B 5 5 GLY H H 103 8.335 8.415 -0.080 1 1 863 . 10 2 2 B 5 5 GLY HA2 H 103 3.941 4.158 -0.217 1 1 864 . 10 2 2 B 5 5 GLY HA3 H 103 3.941 4.158 -0.217 1 1 865 . 10 2 2 B 5 5 GLY C C 103 174.207 175.150 -0.943 1 1 866 . 10 2 2 B 5 5 GLY CA C 103 45.731 44.667 1.064 1 1 867 . 10 2 2 B 5 5 GLY N N 103 110.055 112.369 -2.314 1 1 868 . 10 2 2 B 6 6 ILE H H 104 7.831 8.752 -0.921 1 1 869 . 10 2 2 B 6 6 ILE HA H 104 4.269 3.938 0.331 1 1 879 . 10 2 2 B 6 6 ILE C C 104 176.401 176.321 0.080 1 1 880 . 10 2 2 B 6 6 ILE CA C 104 61.558 63.252 -1.694 1 1 881 . 10 2 2 B 6 6 ILE CB C 104 39.436 38.526 0.910 1 1 885 . 10 2 2 B 6 6 ILE N N 104 119.606 122.384 -2.778 1 1 886 . 10 2 2 B 7 7 SER H H 105 8.324 8.067 0.257 1 1 887 . 10 2 2 B 7 7 SER HA H 105 4.535 4.158 0.377 1 1 890 . 10 2 2 B 7 7 SER C C 105 174.550 173.664 0.886 1 1 891 . 10 2 2 B 7 7 SER CA C 105 58.667 59.082 -0.415 1 1 892 . 10 2 2 B 7 7 SER CB C 105 64.072 61.659 2.413 1 1 893 . 10 2 2 B 7 7 SER N N 105 119.717 116.529 3.188 1 1 937 . 10 2 2 B 11 11 SER H H 109 8.211 8.525 -0.314 1 1 938 . 10 2 2 B 11 11 SER HA H 109 4.507 4.457 0.050 1 1 941 . 10 2 2 B 11 11 SER C C 109 174.504 174.014 0.490 1 1 942 . 10 2 2 B 11 11 SER CA C 109 58.919 60.112 -1.193 1 1 943 . 10 2 2 B 11 11 SER CB C 109 64.198 62.892 1.306 1 1 944 . 10 2 2 B 11 11 SER N N 109 117.260 121.495 -4.235 1 1 945 . 10 2 2 B 12 12 ASP H H 110 8.323 8.876 -0.553 1 1 946 . 10 2 2 B 12 12 ASP HA H 110 4.620 4.698 -0.078 1 1 949 . 10 2 2 B 12 12 ASP C C 110 176.058 177.061 -1.003 1 1 950 . 10 2 2 B 12 12 ASP CA C 110 55.022 53.971 1.051 1 1 951 . 10 2 2 B 12 12 ASP CB C 110 41.825 41.090 0.735 1 1 952 . 10 2 2 B 12 12 ASP N N 110 122.020 127.161 -5.141 1 1 986 . 10 2 2 B 16 16 GLU H H 114 8.378 8.711 -0.333 1 1 987 . 10 2 2 B 16 16 GLU HA H 114 4.268 4.410 -0.142 1 1 992 . 10 2 2 B 16 16 GLU C C 114 176.766 176.289 0.477 1 1 993 . 10 2 2 B 16 16 GLU CA C 114 57.410 56.120 1.290 1 1 994 . 10 2 2 B 16 16 GLU CB C 114 30.620 29.272 1.348 1 1 996 . 10 2 2 B 16 16 GLU N N 114 123.052 122.446 0.606 1 1 997 . 10 2 2 B 17 17 GLU H H 115 8.326 8.835 -0.509 1 1 998 . 10 2 2 B 17 17 GLU HA H 115 4.274 4.167 0.107 1 1 1003 . 10 2 2 B 17 17 GLU C C 115 176.880 176.884 -0.004 1 1 1004 . 10 2 2 B 17 17 GLU CA C 115 57.410 56.660 0.750 1 1 1005 . 10 2 2 B 17 17 GLU CB C 115 30.525 29.911 0.614 1 1 1007 . 10 2 2 B 17 17 GLU N N 115 121.688 124.643 -2.955 1 1 1008 . 10 2 2 B 18 18 MET H H 116 8.309 8.142 0.167 1 1 1009 . 10 2 2 B 18 18 MET HA H 116 4.473 4.066 0.407 1 1 1014 . 10 2 2 B 18 18 MET C C 116 177.086 175.449 1.637 1 1 1015 . 10 2 2 B 18 18 MET CA C 116 56.279 58.191 -1.912 1 1 1016 . 10 2 2 B 18 18 MET CB C 116 33.026 30.587 2.439 1 1 1017 . 10 2 2 B 18 18 MET N N 116 121.270 117.111 4.159 1 1 1018 . 10 2 2 B 19 19 GLY H H 117 8.335 8.581 -0.246 1 1 1019 . 10 2 2 B 19 19 GLY HA2 H 117 4.054 4.056 -0.002 1 1 1020 . 10 2 2 B 19 19 GLY HA3 H 117 4.054 4.056 -0.002 1 1 1021 . 10 2 2 B 19 19 GLY C C 117 174.481 174.469 0.012 1 1 1022 . 10 2 2 B 19 19 GLY CA C 117 45.847 44.126 1.721 1 1 1023 . 10 2 2 B 19 19 GLY N N 117 110.055 106.170 3.885 1 1 1024 . 10 2 2 B 20 20 SER H H 118 8.230 8.688 -0.458 1 1 1025 . 10 2 2 B 20 20 SER HA H 118 4.476 4.589 -0.113 1 1 1028 . 10 2 2 B 20 20 SER C C 118 175.327 175.040 0.287 1 1 1029 . 10 2 2 B 20 20 SER CA C 118 58.919 59.032 -0.113 1 1 1030 . 10 2 2 B 20 20 SER CB C 118 64.575 65.588 -1.013 1 1 1031 . 10 2 2 B 20 20 SER N N 118 115.664 115.766 -0.102 1 1 1032 . 10 2 2 B 21 21 GLY H H 119 8.354 8.212 0.142 1 1 1033 . 10 2 2 B 21 21 GLY HA2 H 119 3.941 3.960 -0.019 1 1 1034 . 10 2 2 B 21 21 GLY HA3 H 119 3.941 3.960 -0.019 1 1 1035 . 10 2 2 B 21 21 GLY C C 119 174.002 174.561 -0.559 1 1 1036 . 10 2 2 B 21 21 GLY CA C 119 45.721 46.431 -0.710 1 1 1037 . 10 2 2 B 21 21 GLY N N 119 110.872 109.011 1.861 1 1 1068 . 10 2 2 B 25 25 SER H H 123 8.155 8.236 -0.081 1 1 1069 . 10 2 2 B 25 25 SER HA H 123 4.391 4.062 0.329 1 1 1072 . 10 2 2 B 25 25 SER C C 123 175.075 172.817 2.258 1 1 1073 . 10 2 2 B 25 25 SER CA C 123 59.347 59.541 -0.194 1 1 1074 . 10 2 2 B 25 25 SER CB C 123 63.879 62.629 1.250 1 1 1075 . 10 2 2 B 25 25 SER N N 123 116.126 113.818 2.308 1 1 1076 . 10 2 2 B 26 26 MET H H 124 8.221 7.528 0.693 1 1 1077 . 10 2 2 B 26 26 MET HA H 124 4.476 5.159 -0.683 1 1 1082 . 10 2 2 B 26 26 MET C C 124 176.355 174.830 1.525 1 1 1083 . 10 2 2 B 26 26 MET CA C 124 56.279 54.509 1.770 1 1 1084 . 10 2 2 B 26 26 MET CB C 124 32.900 36.669 -3.769 1 1 1086 . 10 2 2 B 26 26 MET N N 124 121.210 119.606 1.604 1 1 1087 . 10 2 2 B 27 27 LYS H H 125 8.025 8.760 -0.735 1 1 1088 . 10 2 2 B 27 27 LYS HA H 125 4.312 4.845 -0.533 1 1 1097 . 10 2 2 B 27 27 LYS C C 125 176.355 174.532 1.823 1 1 1098 . 10 2 2 B 27 27 LYS CA C 125 56.656 55.092 1.564 1 1 1099 . 10 2 2 B 27 27 LYS CB C 125 33.529 36.922 -3.393 1 1 1103 . 10 2 2 B 27 27 LYS N N 125 121.457 122.031 -0.574 1 1 1104 . 10 2 2 B 28 28 GLU H H 126 8.222 8.905 -0.683 1 1 1105 . 10 2 2 B 28 28 GLU N N 126 122.740 119.029 3.711 1 1 1106 . 10 2 2 B 29 29 PRO HA H 127 4.355 4.566 -0.211 1 1 1113 . 10 2 2 B 29 29 PRO C C 127 176.812 177.631 -0.819 1 1 1114 . 10 2 2 B 29 29 PRO CA C 127 63.821 63.035 0.786 1 1 1115 . 10 2 2 B 29 29 PRO CB C 127 32.272 32.214 0.058 1 1 1118 . 10 2 2 B 30 30 ALA H H 128 8.267 8.732 -0.465 1 1 1119 . 10 2 2 B 30 30 ALA HA H 128 4.269 4.081 0.188 1 1 1123 . 10 2 2 B 30 30 ALA C C 128 177.589 178.375 -0.786 1 1 1124 . 10 2 2 B 30 30 ALA CA C 128 52.873 55.143 -2.270 1 1 1125 . 10 2 2 B 30 30 ALA CB C 128 19.703 19.400 0.303 1 1 1126 . 10 2 2 B 30 30 ALA N N 128 123.577 127.571 -3.994 1 1 1127 . 10 2 2 B 31 31 PHE H H 129 8.019 8.261 -0.242 1 1 1128 . 10 2 2 B 31 31 PHE HA H 129 4.621 4.467 0.154 1 1 1136 . 10 2 2 B 31 31 PHE C C 129 175.624 174.977 0.647 1 1 1137 . 10 2 2 B 31 31 PHE CA C 129 58.039 59.817 -1.778 1 1 1138 . 10 2 2 B 31 31 PHE CB C 129 40.055 38.629 1.426 1 1 1142 . 10 2 2 B 31 31 PHE N N 129 118.994 117.668 1.326 1 1 1143 . 10 2 2 B 32 32 ARG H H 130 8.029 8.399 -0.370 1 1 1144 . 10 2 2 B 32 32 ARG HA H 130 4.309 4.219 0.090 1 1 1151 . 10 2 2 B 32 32 ARG C C 130 175.875 175.255 0.620 1 1 1152 . 10 2 2 B 32 32 ARG CA C 130 56.154 56.312 -0.158 1 1 1153 . 10 2 2 B 32 32 ARG CB C 130 31.643 31.286 0.357 1 1 1156 . 10 2 2 B 32 32 ARG N N 130 122.929 120.999 1.930 1 1 1157 . 10 2 2 B 33 33 GLU H H 131 8.374 8.670 -0.296 1 1 1158 . 10 2 2 B 33 33 GLU HA H 131 4.276 4.563 -0.287 1 1 1163 . 10 2 2 B 33 33 GLU C C 131 176.766 175.548 1.218 1 1 1164 . 10 2 2 B 33 33 GLU CA C 131 57.285 56.035 1.250 1 1 1165 . 10 2 2 B 33 33 GLU CB C 131 30.512 30.694 -0.182 1 1 1167 . 10 2 2 B 33 33 GLU N N 131 122.719 122.267 0.452 1 1 1168 . 10 2 2 B 34 34 GLU H H 132 8.509 8.672 -0.163 1 1 1169 . 10 2 2 B 34 34 GLU HA H 132 4.271 4.829 -0.558 1 1 1174 . 10 2 2 B 34 34 GLU C C 132 176.560 176.285 0.275 1 1 1175 . 10 2 2 B 34 34 GLU CA C 132 57.400 54.594 2.806 1 1 1176 . 10 2 2 B 34 34 GLU CB C 132 30.530 32.808 -2.278 1 1 1178 . 10 2 2 B 34 34 GLU N N 132 122.122 124.353 -2.231 1 1 1179 . 10 2 2 B 35 35 ASN H H 133 8.362 8.501 -0.139 1 1 1180 . 10 2 2 B 35 35 ASN HA H 133 4.693 4.935 -0.242 1 1 1183 . 10 2 2 B 35 35 ASN C C 133 175.258 174.799 0.459 1 1 1184 . 10 2 2 B 35 35 ASN CA C 133 53.765 53.522 0.243 1 1 1185 . 10 2 2 B 35 35 ASN CB C 133 39.562 38.966 0.596 1 1 1186 . 10 2 2 B 35 35 ASN N N 133 119.552 121.643 -2.091 1 1 1187 . 10 2 2 B 36 36 ALA H H 134 8.155 7.802 0.353 1 1 1188 . 10 2 2 B 36 36 ALA HA H 134 4.265 4.477 -0.212 1 1 1192 . 10 2 2 B 36 36 ALA C C 134 177.520 175.817 1.703 1 1 1193 . 10 2 2 B 36 36 ALA CA C 134 52.873 51.080 1.793 1 1 1194 . 10 2 2 B 36 36 ALA CB C 134 19.703 17.968 1.735 1 1 1195 . 10 2 2 B 36 36 ALA N N 134 124.376 124.495 -0.119 1 1 1196 . 10 2 2 B 37 37 ASN H H 135 8.210 8.381 -0.171 1 1 1197 . 10 2 2 B 37 37 ASN HA H 135 4.688 5.503 -0.815 1 1 1200 . 10 2 2 B 37 37 ASN C C 135 175.144 173.508 1.636 1 1 1201 . 10 2 2 B 37 37 ASN CA C 135 53.640 52.172 1.468 1 1 1202 . 10 2 2 B 37 37 ASN CB C 135 39.311 41.093 -1.782 1 1 1203 . 10 2 2 B 37 37 ASN N N 135 117.103 120.476 -3.373 1 1 1204 . 10 2 2 B 38 38 PHE H H 136 7.997 8.892 -0.895 1 1 1205 . 10 2 2 B 38 38 PHE HA H 136 4.623 5.156 -0.533 1 1 1212 . 10 2 2 B 38 38 PHE C C 136 175.601 173.630 1.971 1 1 1213 . 10 2 2 B 38 38 PHE CA C 136 58.165 56.463 1.702 1 1 1214 . 10 2 2 B 38 38 PHE CB C 136 39.939 41.472 -1.533 1 1 1217 . 10 2 2 B 38 38 PHE N N 136 120.229 125.269 -5.040 1 1 1218 . 10 2 2 B 39 39 ASN H H 137 8.272 8.683 -0.411 1 1 1219 . 10 2 2 B 39 39 ASN HA H 137 4.702 4.583 0.119 1 1 1222 . 10 2 2 B 39 39 ASN C C 137 174.047 175.647 -1.600 1 1 1223 . 10 2 2 B 39 39 ASN CA C 137 53.891 53.638 0.253 1 1 1224 . 10 2 2 B 39 39 ASN CB C 137 39.688 38.631 1.057 1 1 1225 . 10 2 2 B 39 39 ASN N N 137 120.594 127.118 -6.524 1 1 3 . 11 1 1 A 4 4 PRO HA H 2 4.510 4.615 -0.105 1 1 10 . 11 1 1 A 4 4 PRO C C 2 177.132 175.745 1.387 1 1 11 . 11 1 1 A 4 4 PRO CA C 2 63.529 62.685 0.844 1 1 12 . 11 1 1 A 4 4 PRO CB C 2 32.476 30.642 1.834 1 1 15 . 11 1 1 A 5 5 VAL H H 3 8.201 8.309 -0.108 1 1 16 . 11 1 1 A 5 5 VAL HA H 3 4.140 4.565 -0.425 1 1 24 . 11 1 1 A 5 5 VAL C C 3 176.423 174.520 1.903 1 1 25 . 11 1 1 A 5 5 VAL CA C 3 62.873 61.862 1.011 1 1 26 . 11 1 1 A 5 5 VAL CB C 3 33.455 33.157 0.298 1 1 28 . 11 1 1 A 5 5 VAL N N 3 120.488 124.675 -4.187 1 1 29 . 11 1 1 A 6 6 SER H H 4 8.276 8.645 -0.369 1 1 30 . 11 1 1 A 6 6 SER HA H 4 4.487 4.863 -0.376 1 1 33 . 11 1 1 A 6 6 SER C C 4 174.687 172.726 1.961 1 1 34 . 11 1 1 A 6 6 SER CA C 4 58.375 57.486 0.889 1 1 35 . 11 1 1 A 6 6 SER CB C 4 64.295 67.373 -3.078 1 1 36 . 11 1 1 A 6 6 SER N N 4 119.000 120.812 -1.812 1 1 37 . 11 1 1 A 7 7 LEU H H 5 8.238 8.361 -0.123 1 1 38 . 11 1 1 A 7 7 LEU HA H 5 4.397 4.755 -0.358 1 1 44 . 11 1 1 A 7 7 LEU C C 5 177.406 177.082 0.324 1 1 45 . 11 1 1 A 7 7 LEU CA C 5 55.766 53.863 1.903 1 1 46 . 11 1 1 A 7 7 LEU CB C 5 43.132 42.175 0.957 1 1 48 . 11 1 1 A 7 7 LEU N N 5 124.704 119.029 5.675 1 1 49 . 11 1 1 A 8 8 SER H H 6 8.148 7.590 0.558 1 1 50 . 11 1 1 A 8 8 SER HA H 6 4.438 4.379 0.059 1 1 53 . 11 1 1 A 8 8 SER C C 6 174.321 173.819 0.502 1 1 54 . 11 1 1 A 8 8 SER CA C 6 58.718 57.720 0.998 1 1 55 . 11 1 1 A 8 8 SER CB C 6 64.295 64.923 -0.628 1 1 56 . 11 1 1 A 8 8 SER N N 6 115.960 115.556 0.404 1 1 57 . 11 1 1 A 9 9 TYR H H 7 7.915 8.324 -0.409 1 1 58 . 11 1 1 A 9 9 TYR HA H 7 4.585 4.847 -0.262 1 1 65 . 11 1 1 A 9 9 TYR C C 7 175.532 175.828 -0.296 1 1 66 . 11 1 1 A 9 9 TYR CA C 7 58.335 56.818 1.517 1 1 67 . 11 1 1 A 9 9 TYR CB C 7 39.474 39.518 -0.044 1 1 70 . 11 1 1 A 9 9 TYR N N 7 121.884 119.601 2.283 1 1 71 . 11 1 1 A 10 10 ARG H H 8 8.117 8.748 -0.631 1 1 72 . 11 1 1 A 10 10 ARG HA H 8 4.337 4.943 -0.606 1 1 79 . 11 1 1 A 10 10 ARG C C 8 175.898 174.335 1.563 1 1 80 . 11 1 1 A 10 10 ARG CA C 8 56.048 54.270 1.778 1 1 81 . 11 1 1 A 10 10 ARG CB C 8 31.492 34.087 -2.595 1 1 84 . 11 1 1 A 10 10 ARG N N 8 121.977 123.702 -1.725 1 1 85 . 11 1 1 A 11 11 CYS H H 9 8.127 8.535 -0.408 1 1 86 . 11 1 1 A 11 11 CYS HA H 9 4.984 5.189 -0.205 1 1 89 . 11 1 1 A 11 11 CYS C C 9 177.771 173.951 3.820 1 1 90 . 11 1 1 A 11 11 CYS CA C 9 53.192 52.873 0.319 1 1 91 . 11 1 1 A 11 11 CYS CB C 9 40.897 45.684 -4.787 1 1 92 . 11 1 1 A 11 11 CYS N N 9 121.209 119.400 1.809 1 1 93 . 11 1 1 A 12 12 PRO HA H 10 4.321 4.247 0.074 1 1 100 . 11 1 1 A 12 12 PRO CA C 10 65.478 65.762 -0.284 1 1 101 . 11 1 1 A 12 12 PRO CB C 10 32.904 31.131 1.773 1 1 104 . 11 1 1 A 13 13 CYS H H 11 8.633 8.063 0.570 1 1 105 . 11 1 1 A 13 13 CYS C C 11 174.618 174.108 0.510 1 1 106 . 11 1 1 A 13 13 CYS N N 11 114.595 115.552 -0.957 1 1 107 . 11 1 1 A 14 14 ARG H H 12 8.236 8.847 -0.611 1 1 108 . 11 1 1 A 14 14 ARG HA H 12 4.067 4.064 0.003 1 1 115 . 11 1 1 A 14 14 ARG C C 12 175.098 175.246 -0.148 1 1 116 . 11 1 1 A 14 14 ARG CA C 12 57.370 57.790 -0.420 1 1 117 . 11 1 1 A 14 14 ARG CB C 12 31.631 31.135 0.496 1 1 120 . 11 1 1 A 14 14 ARG N N 12 122.779 124.146 -1.367 1 1 121 . 11 1 1 A 15 15 PHE H H 13 7.571 7.684 -0.113 1 1 122 . 11 1 1 A 15 15 PHE HA H 13 4.510 5.208 -0.698 1 1 129 . 11 1 1 A 15 15 PHE C C 13 174.162 174.970 -0.808 1 1 130 . 11 1 1 A 15 15 PHE CA C 13 56.289 55.997 0.292 1 1 131 . 11 1 1 A 15 15 PHE CB C 13 41.320 42.831 -1.511 1 1 134 . 11 1 1 A 15 15 PHE N N 13 116.797 114.686 2.111 1 1 135 . 11 1 1 A 16 16 PHE H H 14 8.084 8.570 -0.486 1 1 136 . 11 1 1 A 16 16 PHE HA H 14 4.767 5.727 -0.960 1 1 143 . 11 1 1 A 16 16 PHE C C 14 175.441 173.577 1.864 1 1 144 . 11 1 1 A 16 16 PHE CA C 14 55.767 55.253 0.514 1 1 145 . 11 1 1 A 16 16 PHE CB C 14 41.320 42.695 -1.375 1 1 148 . 11 1 1 A 16 16 PHE N N 14 118.930 117.826 1.104 1 1 149 . 11 1 1 A 17 17 GLU H H 15 8.815 9.540 -0.725 1 1 150 . 11 1 1 A 17 17 GLU HA H 15 4.579 4.485 0.094 1 1 155 . 11 1 1 A 17 17 GLU C C 15 176.857 176.740 0.117 1 1 156 . 11 1 1 A 17 17 GLU CA C 15 56.289 57.069 -0.780 1 1 157 . 11 1 1 A 17 17 GLU CB C 15 31.173 29.959 1.214 1 1 159 . 11 1 1 A 17 17 GLU N N 15 122.929 120.771 2.158 1 1 160 . 11 1 1 A 18 18 SER H H 16 8.751 8.829 -0.078 1 1 161 . 11 1 1 A 18 18 SER HA H 16 4.762 4.783 -0.021 1 1 164 . 11 1 1 A 18 18 SER C C 16 177.497 173.287 4.210 1 1 165 . 11 1 1 A 18 18 SER CA C 16 59.328 58.447 0.881 1 1 166 . 11 1 1 A 18 18 SER CB C 16 64.515 63.610 0.905 1 1 167 . 11 1 1 A 18 18 SER N N 16 118.860 120.149 -1.289 1 1 168 . 11 1 1 A 19 19 HIS H H 17 8.761 7.831 0.930 1 1 169 . 11 1 1 A 19 19 HIS HA H 17 4.832 5.405 -0.573 1 1 174 . 11 1 1 A 19 19 HIS C C 17 174.618 173.461 1.157 1 1 175 . 11 1 1 A 19 19 HIS CA C 17 56.449 54.878 1.571 1 1 176 . 11 1 1 A 19 19 HIS CB C 17 30.214 34.307 -4.093 1 1 179 . 11 1 1 A 19 19 HIS N N 17 120.535 117.577 2.958 1 1 180 . 11 1 1 A 20 20 VAL H H 18 7.085 8.880 -1.795 1 1 181 . 11 1 1 A 20 20 VAL HA H 18 4.160 4.629 -0.469 1 1 189 . 11 1 1 A 20 20 VAL C C 18 174.436 173.537 0.899 1 1 190 . 11 1 1 A 20 20 VAL CA C 18 62.167 61.273 0.894 1 1 191 . 11 1 1 A 20 20 VAL CB C 18 34.426 35.016 -0.590 1 1 193 . 11 1 1 A 20 20 VAL N N 18 120.872 119.144 1.728 1 1 194 . 11 1 1 A 21 21 ALA H H 19 8.521 8.603 -0.082 1 1 195 . 11 1 1 A 21 21 ALA HA H 19 4.367 4.608 -0.241 1 1 199 . 11 1 1 A 21 21 ALA C C 19 177.657 178.351 -0.694 1 1 200 . 11 1 1 A 21 21 ALA CA C 19 51.193 50.511 0.682 1 1 201 . 11 1 1 A 21 21 ALA CB C 19 19.790 20.432 -0.642 1 1 202 . 11 1 1 A 21 21 ALA N N 19 131.339 126.977 4.362 1 1 203 . 11 1 1 A 22 22 ARG H H 20 7.790 8.227 -0.437 1 1 204 . 11 1 1 A 22 22 ARG HA H 20 2.451 3.407 -0.956 1 1 211 . 11 1 1 A 22 22 ARG C C 20 178.365 176.689 1.676 1 1 212 . 11 1 1 A 22 22 ARG CA C 20 59.379 57.457 1.922 1 1 213 . 11 1 1 A 22 22 ARG CB C 20 29.572 28.675 0.897 1 1 216 . 11 1 1 A 22 22 ARG N N 20 124.365 123.193 1.172 1 1 217 . 11 1 1 A 23 23 ALA H H 21 8.120 7.469 0.651 1 1 218 . 11 1 1 A 23 23 ALA HA H 21 4.060 4.129 -0.069 1 1 222 . 11 1 1 A 23 23 ALA C C 21 178.000 178.276 -0.276 1 1 223 . 11 1 1 A 23 23 ALA CA C 21 54.100 53.245 0.855 1 1 224 . 11 1 1 A 23 23 ALA CB C 21 18.713 18.690 0.023 1 1 225 . 11 1 1 A 23 23 ALA N N 21 117.156 121.814 -4.658 1 1 226 . 11 1 1 A 24 24 ASN H H 22 7.707 7.904 -0.197 1 1 227 . 11 1 1 A 24 24 ASN HA H 22 5.010 4.746 0.264 1 1 232 . 11 1 1 A 24 24 ASN C C 22 174.938 174.864 0.074 1 1 233 . 11 1 1 A 24 24 ASN CA C 22 52.869 53.542 -0.673 1 1 234 . 11 1 1 A 24 24 ASN CB C 22 40.573 39.082 1.491 1 1 235 . 11 1 1 A 24 24 ASN N N 22 112.819 115.429 -2.610 1 1 237 . 11 1 1 A 25 25 VAL H H 23 7.489 7.402 0.087 1 1 238 . 11 1 1 A 25 25 VAL HA H 23 4.888 4.222 0.666 1 1 246 . 11 1 1 A 25 25 VAL C C 23 175.829 175.802 0.027 1 1 247 . 11 1 1 A 25 25 VAL CA C 23 59.870 60.602 -0.732 1 1 248 . 11 1 1 A 25 25 VAL CB C 23 35.396 33.429 1.967 1 1 251 . 11 1 1 A 25 25 VAL N N 23 119.721 117.164 2.557 1 1 252 . 11 1 1 A 26 26 LYS H H 24 9.480 9.113 0.367 1 1 253 . 11 1 1 A 26 26 LYS HA H 24 4.353 4.258 0.095 1 1 262 . 11 1 1 A 26 26 LYS C C 24 176.606 176.471 0.135 1 1 263 . 11 1 1 A 26 26 LYS CA C 24 58.977 57.663 1.314 1 1 264 . 11 1 1 A 26 26 LYS CB C 24 34.567 32.968 1.599 1 1 268 . 11 1 1 A 26 26 LYS N N 24 127.843 123.571 4.272 1 1 269 . 11 1 1 A 27 27 HIS H H 25 7.237 7.504 -0.267 1 1 270 . 11 1 1 A 27 27 HIS HA H 25 4.979 4.932 0.047 1 1 275 . 11 1 1 A 27 27 HIS C C 25 178.434 172.249 6.185 1 1 276 . 11 1 1 A 27 27 HIS CA C 25 55.406 54.590 0.816 1 1 277 . 11 1 1 A 27 27 HIS CB C 25 32.480 31.458 1.022 1 1 280 . 11 1 1 A 27 27 HIS N N 25 109.556 114.858 -5.302 1 1 281 . 11 1 1 A 28 28 LEU H H 26 8.189 8.955 -0.766 1 1 282 . 11 1 1 A 28 28 LEU HA H 26 5.190 5.214 -0.024 1 1 292 . 11 1 1 A 28 28 LEU C C 26 175.510 174.362 1.148 1 1 293 . 11 1 1 A 28 28 LEU CA C 26 53.480 53.510 -0.030 1 1 294 . 11 1 1 A 28 28 LEU CB C 26 45.235 45.690 -0.455 1 1 298 . 11 1 1 A 28 28 LEU N N 26 117.260 122.558 -5.298 1 1 299 . 11 1 1 A 29 29 LYS H H 27 9.572 9.272 0.300 1 1 300 . 11 1 1 A 29 29 LYS HA H 27 5.372 5.186 0.186 1 1 309 . 11 1 1 A 29 29 LYS C C 27 174.801 174.700 0.101 1 1 310 . 11 1 1 A 29 29 LYS CA C 27 55.165 54.759 0.406 1 1 311 . 11 1 1 A 29 29 LYS CB C 27 35.253 35.561 -0.308 1 1 315 . 11 1 1 A 29 29 LYS N N 27 123.488 127.664 -4.176 1 1 316 . 11 1 1 A 30 30 ILE H H 28 9.136 8.975 0.161 1 1 317 . 11 1 1 A 30 30 ILE HA H 28 4.924 4.911 0.013 1 1 327 . 11 1 1 A 30 30 ILE C C 28 176.949 175.403 1.546 1 1 328 . 11 1 1 A 30 30 ILE CA C 28 60.542 58.770 1.772 1 1 329 . 11 1 1 A 30 30 ILE CB C 28 39.600 38.545 1.055 1 1 333 . 11 1 1 A 30 30 ILE N N 28 123.846 127.950 -4.104 1 1 334 . 11 1 1 A 31 31 LEU H H 29 8.805 9.507 -0.702 1 1 335 . 11 1 1 A 31 31 LEU HA H 29 4.535 5.026 -0.491 1 1 344 . 11 1 1 A 31 31 LEU C C 29 176.012 175.247 0.765 1 1 345 . 11 1 1 A 31 31 LEU CA C 29 55.366 53.245 2.121 1 1 346 . 11 1 1 A 31 31 LEU CB C 29 43.180 45.755 -2.575 1 1 349 . 11 1 1 A 31 31 LEU N N 29 128.649 126.904 1.745 1 1 350 . 11 1 1 A 32 32 ASN H H 30 8.216 8.837 -0.621 1 1 351 . 11 1 1 A 32 32 ASN HA H 30 5.005 5.123 -0.118 1 1 356 . 11 1 1 A 32 32 ASN C C 30 174.664 174.436 0.228 1 1 357 . 11 1 1 A 32 32 ASN CA C 30 52.517 51.905 0.612 1 1 358 . 11 1 1 A 32 32 ASN CB C 30 38.776 39.580 -0.804 1 1 359 . 11 1 1 A 32 32 ASN N N 30 120.791 123.206 -2.415 1 1 361 . 11 1 1 A 33 33 THR H H 31 7.883 8.392 -0.509 1 1 362 . 11 1 1 A 33 33 THR HA H 31 4.842 4.954 -0.112 1 1 367 . 11 1 1 A 33 33 THR CA C 31 58.369 58.721 -0.352 1 1 368 . 11 1 1 A 33 33 THR CB C 31 70.018 70.175 -0.157 1 1 370 . 11 1 1 A 33 33 THR N N 31 115.811 117.355 -1.544 1 1 371 . 11 1 1 A 34 34 PRO HA H 32 4.317 4.620 -0.303 1 1 378 . 11 1 1 A 34 34 PRO CA C 32 65.164 63.818 1.346 1 1 379 . 11 1 1 A 34 34 PRO CB C 32 32.484 32.768 -0.284 1 1 382 . 11 1 1 A 35 35 ASN H H 33 8.259 8.370 -0.111 1 1 383 . 11 1 1 A 35 35 ASN HA H 33 4.651 4.855 -0.204 1 1 388 . 11 1 1 A 35 35 ASN C C 33 174.710 174.317 0.393 1 1 389 . 11 1 1 A 35 35 ASN CA C 33 54.532 54.676 -0.144 1 1 390 . 11 1 1 A 35 35 ASN CB C 33 39.167 39.869 -0.702 1 1 391 . 11 1 1 A 35 35 ASN N N 33 120.081 114.641 5.440 1 1 393 . 11 1 1 A 36 36 CYS H H 34 7.569 7.478 0.091 1 1 394 . 11 1 1 A 36 36 CYS HA H 34 4.675 4.969 -0.294 1 1 397 . 11 1 1 A 36 36 CYS C C 34 173.865 173.992 -0.127 1 1 398 . 11 1 1 A 36 36 CYS CA C 34 55.447 55.167 0.280 1 1 399 . 11 1 1 A 36 36 CYS CB C 34 45.228 45.482 -0.254 1 1 400 . 11 1 1 A 36 36 CYS N N 34 117.076 114.952 2.124 1 1 401 . 11 1 1 A 37 37 ALA H H 35 8.472 8.464 0.008 1 1 402 . 11 1 1 A 37 37 ALA HA H 35 4.223 4.061 0.162 1 1 406 . 11 1 1 A 37 37 ALA C C 35 176.423 176.923 -0.500 1 1 407 . 11 1 1 A 37 37 ALA CA C 35 53.537 55.337 -1.800 1 1 408 . 11 1 1 A 37 37 ALA CB C 35 19.202 19.120 0.082 1 1 409 . 11 1 1 A 37 37 ALA N N 35 125.153 125.010 0.143 1 1 410 . 11 1 1 A 38 38 CYS H H 36 8.316 7.592 0.724 1 1 411 . 11 1 1 A 38 38 CYS HA H 36 4.196 4.735 -0.539 1 1 414 . 11 1 1 A 38 38 CYS C C 36 173.705 172.254 1.451 1 1 415 . 11 1 1 A 38 38 CYS CA C 36 58.616 57.984 0.632 1 1 416 . 11 1 1 A 38 38 CYS CB C 36 45.705 30.351 15.354 1 1 417 . 11 1 1 A 38 38 CYS N N 36 118.837 113.572 5.265 1 1 418 . 11 1 1 A 39 39 GLN H H 37 8.928 9.026 -0.098 1 1 419 . 11 1 1 A 39 39 GLN HA H 37 4.596 5.003 -0.407 1 1 426 . 11 1 1 A 39 39 GLN C C 37 173.636 173.997 -0.361 1 1 427 . 11 1 1 A 39 39 GLN CA C 37 54.603 54.156 0.447 1 1 428 . 11 1 1 A 39 39 GLN CB C 37 31.761 32.062 -0.301 1 1 430 . 11 1 1 A 39 39 GLN N N 37 128.567 124.660 3.907 1 1 432 . 11 1 1 A 40 40 ILE H H 38 8.851 8.452 0.399 1 1 433 . 11 1 1 A 40 40 ILE HA H 38 5.087 5.121 -0.034 1 1 443 . 11 1 1 A 40 40 ILE C C 38 174.390 175.093 -0.703 1 1 444 . 11 1 1 A 40 40 ILE CA C 38 60.582 60.031 0.551 1 1 445 . 11 1 1 A 40 40 ILE CB C 38 40.048 39.898 0.150 1 1 449 . 11 1 1 A 40 40 ILE N N 38 123.962 127.430 -3.468 1 1 450 . 11 1 1 A 41 41 VAL H H 39 9.090 9.692 -0.602 1 1 451 . 11 1 1 A 41 41 VAL HA H 39 4.822 5.006 -0.184 1 1 459 . 11 1 1 A 41 41 VAL C C 39 175.487 174.958 0.529 1 1 460 . 11 1 1 A 41 41 VAL CA C 39 59.980 60.906 -0.926 1 1 461 . 11 1 1 A 41 41 VAL CB C 39 35.868 34.393 1.475 1 1 464 . 11 1 1 A 41 41 VAL N N 39 126.354 126.878 -0.524 1 1 465 . 11 1 1 A 42 42 ALA H H 40 9.513 9.508 0.005 1 1 466 . 11 1 1 A 42 42 ALA HA H 40 5.137 5.136 0.001 1 1 470 . 11 1 1 A 42 42 ALA C C 40 175.944 175.655 0.289 1 1 471 . 11 1 1 A 42 42 ALA CA C 40 50.591 50.647 -0.056 1 1 472 . 11 1 1 A 42 42 ALA CB C 40 22.432 22.777 -0.345 1 1 473 . 11 1 1 A 42 42 ALA N N 40 128.406 128.471 -0.065 1 1 474 . 11 1 1 A 43 43 ARG H H 41 7.720 8.306 -0.586 1 1 475 . 11 1 1 A 43 43 ARG HA H 41 4.959 4.705 0.254 1 1 482 . 11 1 1 A 43 43 ARG C C 41 175.510 176.003 -0.493 1 1 483 . 11 1 1 A 43 43 ARG CA C 41 54.162 55.617 -1.455 1 1 484 . 11 1 1 A 43 43 ARG CB C 41 31.200 31.341 -0.141 1 1 487 . 11 1 1 A 43 43 ARG N N 41 121.795 122.604 -0.809 1 1 488 . 11 1 1 A 44 44 LEU H H 42 9.164 8.284 0.880 1 1 489 . 11 1 1 A 44 44 LEU HA H 42 5.021 4.579 0.442 1 1 499 . 11 1 1 A 44 44 LEU C C 42 177.840 176.586 1.254 1 1 500 . 11 1 1 A 44 44 LEU CA C 42 54.724 55.378 -0.654 1 1 501 . 11 1 1 A 44 44 LEU CB C 42 41.712 42.101 -0.389 1 1 505 . 11 1 1 A 44 44 LEU N N 42 129.087 124.234 4.853 1 1 506 . 11 1 1 A 45 45 LYS H H 43 8.396 8.877 -0.481 1 1 507 . 11 1 1 A 45 45 LYS HA H 43 3.950 4.913 -0.963 1 1 516 . 11 1 1 A 45 45 LYS CA C 43 59.016 55.696 3.320 1 1 517 . 11 1 1 A 45 45 LYS CB C 43 34.102 33.226 0.876 1 1 520 . 11 1 1 A 45 45 LYS N N 43 119.674 119.301 0.373 1 1 521 . 11 1 1 A 48 48 ASN HA H 46 4.709 4.937 -0.228 1 1 526 . 11 1 1 A 48 48 ASN C C 46 175.098 175.054 0.044 1 1 527 . 11 1 1 A 48 48 ASN CA C 46 54.764 52.479 2.285 1 1 528 . 11 1 1 A 48 48 ASN CB C 46 39.265 40.077 -0.812 1 1 530 . 11 1 1 A 49 49 ARG H H 47 7.923 8.317 -0.394 1 1 531 . 11 1 1 A 49 49 ARG HA H 47 4.368 4.697 -0.329 1 1 538 . 11 1 1 A 49 49 ARG C C 47 175.601 175.620 -0.019 1 1 539 . 11 1 1 A 49 49 ARG CA C 47 57.051 54.435 2.616 1 1 540 . 11 1 1 A 49 49 ARG CB C 47 32.121 31.596 0.525 1 1 543 . 11 1 1 A 49 49 ARG N N 47 119.826 118.613 1.213 1 1 544 . 11 1 1 A 50 50 GLN H H 48 8.547 8.467 0.080 1 1 545 . 11 1 1 A 50 50 GLN HA H 48 5.441 4.868 0.573 1 1 552 . 11 1 1 A 50 50 GLN C C 48 175.578 175.407 0.171 1 1 553 . 11 1 1 A 50 50 GLN CA C 48 55.125 54.971 0.154 1 1 554 . 11 1 1 A 50 50 GLN CB C 48 32.121 29.780 2.341 1 1 556 . 11 1 1 A 50 50 GLN N N 48 120.767 118.032 2.735 1 1 558 . 11 1 1 A 51 51 VAL H H 49 8.630 9.413 -0.783 1 1 559 . 11 1 1 A 51 51 VAL HA H 49 4.826 4.900 -0.074 1 1 567 . 11 1 1 A 51 51 VAL C C 49 175.258 174.077 1.181 1 1 568 . 11 1 1 A 51 51 VAL CA C 49 59.338 59.734 -0.396 1 1 569 . 11 1 1 A 51 51 VAL CB C 49 36.155 34.514 1.641 1 1 572 . 11 1 1 A 51 51 VAL N N 49 116.678 117.479 -0.801 1 1 573 . 11 1 1 A 52 52 CYS H H 50 9.095 8.980 0.115 1 1 574 . 11 1 1 A 52 52 CYS HA H 50 5.278 5.702 -0.424 1 1 577 . 11 1 1 A 52 52 CYS C C 50 174.527 173.523 1.004 1 1 578 . 11 1 1 A 52 52 CYS CA C 50 58.054 54.290 3.764 1 1 579 . 11 1 1 A 52 52 CYS CB C 50 43.162 44.164 -1.002 1 1 580 . 11 1 1 A 52 52 CYS N N 50 124.549 119.846 4.703 1 1 581 . 11 1 1 A 53 53 ILE H H 51 8.485 9.300 -0.815 1 1 582 . 11 1 1 A 53 53 ILE HA H 51 4.973 5.284 -0.311 1 1 592 . 11 1 1 A 53 53 ILE C C 51 173.019 174.750 -1.731 1 1 593 . 11 1 1 A 53 53 ILE CA C 51 58.897 59.311 -0.414 1 1 594 . 11 1 1 A 53 53 ILE CB C 51 42.201 40.044 2.157 1 1 598 . 11 1 1 A 53 53 ILE N N 51 122.581 121.825 0.756 1 1 599 . 11 1 1 A 54 54 ASP H H 52 7.661 8.611 -0.950 1 1 600 . 11 1 1 A 54 54 ASP HA H 52 3.611 4.405 -0.794 1 1 603 . 11 1 1 A 54 54 ASP CA C 52 51.574 52.036 -0.462 1 1 604 . 11 1 1 A 54 54 ASP CB C 52 42.515 42.265 0.250 1 1 605 . 11 1 1 A 54 54 ASP N N 52 125.772 125.688 0.084 1 1 606 . 11 1 1 A 55 55 PRO HA H 53 4.010 4.271 -0.261 1 1 613 . 11 1 1 A 55 55 PRO C C 53 176.126 177.313 -1.187 1 1 614 . 11 1 1 A 55 55 PRO CA C 53 63.993 64.187 -0.194 1 1 615 . 11 1 1 A 55 55 PRO CB C 53 33.002 31.682 1.320 1 1 618 . 11 1 1 A 56 56 LYS H H 54 7.930 8.342 -0.412 1 1 619 . 11 1 1 A 56 56 LYS HA H 54 3.988 4.339 -0.351 1 1 628 . 11 1 1 A 56 56 LYS C C 54 177.931 176.127 1.804 1 1 629 . 11 1 1 A 56 56 LYS CA C 54 56.770 56.128 0.642 1 1 630 . 11 1 1 A 56 56 LYS CB C 54 32.023 33.155 -1.132 1 1 634 . 11 1 1 A 56 56 LYS N N 54 112.924 116.001 -3.077 1 1 635 . 11 1 1 A 57 57 LEU H H 55 7.161 7.185 -0.024 1 1 636 . 11 1 1 A 57 57 LEU HA H 55 4.059 3.931 0.128 1 1 646 . 11 1 1 A 57 57 LEU C C 55 179.416 177.564 1.852 1 1 647 . 11 1 1 A 57 57 LEU CA C 55 56.088 55.759 0.329 1 1 648 . 11 1 1 A 57 57 LEU CB C 55 42.191 42.927 -0.736 1 1 652 . 11 1 1 A 57 57 LEU N N 55 120.593 122.930 -2.337 1 1 653 . 11 1 1 A 58 58 LYS H H 56 8.720 8.826 -0.106 1 1 654 . 11 1 1 A 58 58 LYS HA H 56 3.911 3.878 0.033 1 1 663 . 11 1 1 A 58 58 LYS C C 56 178.937 178.089 0.848 1 1 664 . 11 1 1 A 58 58 LYS CA C 56 60.301 59.834 0.467 1 1 665 . 11 1 1 A 58 58 LYS CB C 56 32.121 32.243 -0.122 1 1 669 . 11 1 1 A 58 58 LYS N N 56 125.479 126.342 -0.863 1 1 670 . 11 1 1 A 59 59 TRP H H 57 7.811 8.289 -0.478 1 1 671 . 11 1 1 A 59 59 TRP HA H 57 4.664 4.529 0.135 1 1 680 . 11 1 1 A 59 59 TRP C C 57 178.868 179.500 -0.632 1 1 681 . 11 1 1 A 59 59 TRP CA C 57 58.897 59.878 -0.981 1 1 682 . 11 1 1 A 59 59 TRP CB C 57 28.036 28.050 -0.014 1 1 688 . 11 1 1 A 59 59 TRP N N 57 113.433 119.105 -5.672 1 1 690 . 11 1 1 A 60 60 ILE H H 58 6.461 7.498 -1.037 1 1 691 . 11 1 1 A 60 60 ILE HA H 58 3.304 3.440 -0.136 1 1 701 . 11 1 1 A 60 60 ILE C C 58 177.726 177.791 -0.065 1 1 702 . 11 1 1 A 60 60 ILE CA C 58 64.314 64.904 -0.590 1 1 703 . 11 1 1 A 60 60 ILE CB C 58 35.897 37.142 -1.245 1 1 707 . 11 1 1 A 60 60 ILE N N 58 124.379 122.489 1.890 1 1 708 . 11 1 1 A 61 61 GLN H H 59 7.624 8.614 -0.990 1 1 709 . 11 1 1 A 61 61 GLN HA H 59 3.748 3.892 -0.144 1 1 716 . 11 1 1 A 61 61 GLN C C 59 178.434 178.910 -0.476 1 1 717 . 11 1 1 A 61 61 GLN CA C 59 59.379 59.379 0.000 1 1 718 . 11 1 1 A 61 61 GLN CB C 59 28.272 28.119 0.153 1 1 720 . 11 1 1 A 61 61 GLN N N 59 119.070 118.186 0.884 1 1 722 . 11 1 1 A 62 62 GLU H H 60 8.064 8.093 -0.029 1 1 723 . 11 1 1 A 62 62 GLU HA H 60 4.083 4.089 -0.006 1 1 728 . 11 1 1 A 62 62 GLU C C 60 179.051 178.887 0.164 1 1 729 . 11 1 1 A 62 62 GLU CA C 60 59.659 59.278 0.381 1 1 730 . 11 1 1 A 62 62 GLU CB C 60 30.457 29.401 1.056 1 1 732 . 11 1 1 A 62 62 GLU N N 60 117.166 120.327 -3.161 1 1 733 . 11 1 1 A 63 63 TYR H H 61 7.924 8.755 -0.831 1 1 734 . 11 1 1 A 63 63 TYR HA H 61 4.254 4.231 0.023 1 1 741 . 11 1 1 A 63 63 TYR C C 61 178.617 177.659 0.958 1 1 742 . 11 1 1 A 63 63 TYR CA C 61 61.184 61.681 -0.497 1 1 743 . 11 1 1 A 63 63 TYR CB C 61 39.461 38.869 0.592 1 1 746 . 11 1 1 A 63 63 TYR N N 61 121.271 122.101 -0.830 1 1 747 . 11 1 1 A 64 64 LEU H H 62 8.260 8.947 -0.687 1 1 748 . 11 1 1 A 64 64 LEU HA H 62 3.954 3.920 0.034 1 1 758 . 11 1 1 A 64 64 LEU C C 62 179.553 179.149 0.404 1 1 759 . 11 1 1 A 64 64 LEU CA C 62 58.014 58.225 -0.211 1 1 760 . 11 1 1 A 64 64 LEU CB C 62 42.191 41.406 0.785 1 1 764 . 11 1 1 A 64 64 LEU N N 62 116.299 120.718 -4.419 1 1 765 . 11 1 1 A 65 65 GLU H H 63 8.454 7.948 0.506 1 1 766 . 11 1 1 A 65 65 GLU HA H 63 3.840 3.948 -0.108 1 1 771 . 11 1 1 A 65 65 GLU C C 63 179.279 179.708 -0.429 1 1 772 . 11 1 1 A 65 65 GLU CA C 63 60.301 59.571 0.730 1 1 773 . 11 1 1 A 65 65 GLU CB C 63 29.870 29.133 0.737 1 1 775 . 11 1 1 A 65 65 GLU N N 63 118.616 117.611 1.005 1 1 776 . 11 1 1 A 66 66 LYS H H 64 7.575 8.039 -0.464 1 1 777 . 11 1 1 A 66 66 LYS HA H 64 4.212 3.950 0.262 1 1 786 . 11 1 1 A 66 66 LYS C C 64 178.457 178.991 -0.534 1 1 787 . 11 1 1 A 66 66 LYS CA C 64 58.496 59.306 -0.810 1 1 788 . 11 1 1 A 66 66 LYS CB C 64 32.400 32.359 0.041 1 1 792 . 11 1 1 A 66 66 LYS N N 64 117.166 119.151 -1.985 1 1 793 . 11 1 1 A 67 67 CYS H H 65 7.918 8.176 -0.258 1 1 794 . 11 1 1 A 67 67 CYS HA H 65 4.526 4.112 0.414 1 1 797 . 11 1 1 A 67 67 CYS C C 65 174.893 177.293 -2.400 1 1 798 . 11 1 1 A 67 67 CYS CA C 65 56.329 61.786 -5.457 1 1 799 . 11 1 1 A 67 67 CYS CB C 65 45.235 27.115 18.120 1 1 800 . 11 1 1 A 67 67 CYS N N 65 115.330 118.749 -3.419 1 1 801 . 11 1 1 A 68 68 LEU H H 66 7.559 7.995 -0.436 1 1 802 . 11 1 1 A 68 68 LEU HA H 66 4.490 4.028 0.462 1 1 812 . 11 1 1 A 68 68 LEU C C 66 176.812 178.015 -1.203 1 1 813 . 11 1 1 A 68 68 LEU CA C 66 55.366 57.706 -2.340 1 1 814 . 11 1 1 A 68 68 LEU CB C 66 43.278 41.674 1.604 1 1 818 . 11 1 1 A 68 68 LEU N N 66 120.930 122.790 -1.860 1 1 819 . 11 1 1 A 69 69 ASN H H 67 8.265 7.383 0.882 1 1 820 . 11 1 1 A 69 69 ASN HA H 67 4.669 4.905 -0.236 1 1 825 . 11 1 1 A 69 69 ASN CA C 67 53.761 54.191 -0.430 1 1 826 . 11 1 1 A 69 69 ASN CB C 67 39.069 40.462 -1.393 1 1 827 . 11 1 1 A 69 69 ASN N N 67 120.279 116.135 4.144 1 1 852 . 11 2 2 B 4 4 GLU H H 102 8.329 7.488 0.841 1 1 853 . 11 2 2 B 4 4 GLU HA H 102 4.282 4.306 -0.024 1 1 858 . 11 2 2 B 4 4 GLU C C 102 177.132 177.441 -0.309 1 1 859 . 11 2 2 B 4 4 GLU CA C 102 57.410 56.626 0.784 1 1 861 . 11 2 2 B 4 4 GLU N N 102 121.884 118.791 3.093 1 1 862 . 11 2 2 B 5 5 GLY H H 103 8.335 8.894 -0.559 1 1 863 . 11 2 2 B 5 5 GLY HA2 H 103 3.941 4.025 -0.084 1 1 864 . 11 2 2 B 5 5 GLY HA3 H 103 3.941 4.027 -0.086 1 1 865 . 11 2 2 B 5 5 GLY C C 103 174.207 175.295 -1.088 1 1 866 . 11 2 2 B 5 5 GLY CA C 103 45.731 46.471 -0.740 1 1 867 . 11 2 2 B 5 5 GLY N N 103 110.055 110.639 -0.584 1 1 868 . 11 2 2 B 6 6 ILE H H 104 7.831 8.007 -0.176 1 1 869 . 11 2 2 B 6 6 ILE HA H 104 4.269 3.925 0.344 1 1 879 . 11 2 2 B 6 6 ILE C C 104 176.401 176.382 0.019 1 1 880 . 11 2 2 B 6 6 ILE CA C 104 61.558 63.263 -1.705 1 1 881 . 11 2 2 B 6 6 ILE CB C 104 39.436 37.646 1.790 1 1 885 . 11 2 2 B 6 6 ILE N N 104 119.606 117.503 2.103 1 1 886 . 11 2 2 B 7 7 SER H H 105 8.324 7.941 0.383 1 1 887 . 11 2 2 B 7 7 SER HA H 105 4.535 4.471 0.064 1 1 890 . 11 2 2 B 7 7 SER C C 105 174.550 173.582 0.968 1 1 891 . 11 2 2 B 7 7 SER CA C 105 58.667 58.726 -0.059 1 1 892 . 11 2 2 B 7 7 SER CB C 105 64.072 63.697 0.375 1 1 893 . 11 2 2 B 7 7 SER N N 105 119.717 117.411 2.306 1 1 937 . 11 2 2 B 11 11 SER H H 109 8.211 8.862 -0.651 1 1 938 . 11 2 2 B 11 11 SER HA H 109 4.507 4.695 -0.188 1 1 941 . 11 2 2 B 11 11 SER C C 109 174.504 173.291 1.213 1 1 942 . 11 2 2 B 11 11 SER CA C 109 58.919 59.573 -0.654 1 1 943 . 11 2 2 B 11 11 SER CB C 109 64.198 65.487 -1.289 1 1 944 . 11 2 2 B 11 11 SER N N 109 117.260 120.543 -3.283 1 1 945 . 11 2 2 B 12 12 ASP H H 110 8.323 8.012 0.311 1 1 946 . 11 2 2 B 12 12 ASP HA H 110 4.620 4.673 -0.053 1 1 949 . 11 2 2 B 12 12 ASP C C 110 176.058 175.032 1.026 1 1 950 . 11 2 2 B 12 12 ASP CA C 110 55.022 53.538 1.484 1 1 951 . 11 2 2 B 12 12 ASP CB C 110 41.825 39.695 2.130 1 1 952 . 11 2 2 B 12 12 ASP N N 110 122.020 120.824 1.196 1 1 986 . 11 2 2 B 16 16 GLU H H 114 8.378 9.148 -0.770 1 1 987 . 11 2 2 B 16 16 GLU HA H 114 4.268 3.999 0.269 1 1 992 . 11 2 2 B 16 16 GLU C C 114 176.766 176.386 0.380 1 1 993 . 11 2 2 B 16 16 GLU CA C 114 57.410 57.179 0.231 1 1 994 . 11 2 2 B 16 16 GLU CB C 114 30.620 28.108 2.512 1 1 996 . 11 2 2 B 16 16 GLU N N 114 123.052 125.491 -2.439 1 1 997 . 11 2 2 B 17 17 GLU H H 115 8.326 8.474 -0.148 1 1 998 . 11 2 2 B 17 17 GLU HA H 115 4.274 4.001 0.273 1 1 1003 . 11 2 2 B 17 17 GLU C C 115 176.880 177.056 -0.176 1 1 1004 . 11 2 2 B 17 17 GLU CA C 115 57.410 59.114 -1.704 1 1 1005 . 11 2 2 B 17 17 GLU CB C 115 30.525 29.375 1.150 1 1 1007 . 11 2 2 B 17 17 GLU N N 115 121.688 124.110 -2.422 1 1 1008 . 11 2 2 B 18 18 MET H H 116 8.309 8.009 0.300 1 1 1009 . 11 2 2 B 18 18 MET HA H 116 4.473 4.255 0.218 1 1 1014 . 11 2 2 B 18 18 MET C C 116 177.086 175.836 1.250 1 1 1015 . 11 2 2 B 18 18 MET CA C 116 56.279 57.272 -0.993 1 1 1016 . 11 2 2 B 18 18 MET CB C 116 33.026 31.375 1.651 1 1 1017 . 11 2 2 B 18 18 MET N N 116 121.270 116.311 4.959 1 1 1018 . 11 2 2 B 19 19 GLY H H 117 8.335 8.067 0.268 1 1 1019 . 11 2 2 B 19 19 GLY HA2 H 117 4.054 3.919 0.135 1 1 1020 . 11 2 2 B 19 19 GLY HA3 H 117 4.054 3.920 0.134 1 1 1021 . 11 2 2 B 19 19 GLY C C 117 174.481 173.468 1.013 1 1 1022 . 11 2 2 B 19 19 GLY CA C 117 45.847 46.962 -1.115 1 1 1023 . 11 2 2 B 19 19 GLY N N 117 110.055 107.171 2.884 1 1 1024 . 11 2 2 B 20 20 SER H H 118 8.230 8.522 -0.292 1 1 1025 . 11 2 2 B 20 20 SER HA H 118 4.476 4.673 -0.197 1 1 1028 . 11 2 2 B 20 20 SER C C 118 175.327 174.596 0.731 1 1 1029 . 11 2 2 B 20 20 SER CA C 118 58.919 58.246 0.673 1 1 1030 . 11 2 2 B 20 20 SER CB C 118 64.575 62.894 1.681 1 1 1031 . 11 2 2 B 20 20 SER N N 118 115.664 120.249 -4.585 1 1 1032 . 11 2 2 B 21 21 GLY H H 119 8.354 8.671 -0.317 1 1 1033 . 11 2 2 B 21 21 GLY HA2 H 119 3.941 3.998 -0.057 1 1 1034 . 11 2 2 B 21 21 GLY HA3 H 119 3.941 3.998 -0.057 1 1 1035 . 11 2 2 B 21 21 GLY C C 119 174.002 172.527 1.475 1 1 1036 . 11 2 2 B 21 21 GLY CA C 119 45.721 45.734 -0.013 1 1 1037 . 11 2 2 B 21 21 GLY N N 119 110.872 112.982 -2.110 1 1 1068 . 11 2 2 B 25 25 SER H H 123 8.155 8.241 -0.086 1 1 1069 . 11 2 2 B 25 25 SER HA H 123 4.391 4.084 0.307 1 1 1072 . 11 2 2 B 25 25 SER C C 123 175.075 172.828 2.247 1 1 1073 . 11 2 2 B 25 25 SER CA C 123 59.347 59.619 -0.272 1 1 1074 . 11 2 2 B 25 25 SER CB C 123 63.879 62.635 1.244 1 1 1075 . 11 2 2 B 25 25 SER N N 123 116.126 114.114 2.012 1 1 1076 . 11 2 2 B 26 26 MET H H 124 8.221 7.685 0.536 1 1 1077 . 11 2 2 B 26 26 MET HA H 124 4.476 4.985 -0.509 1 1 1082 . 11 2 2 B 26 26 MET C C 124 176.355 174.903 1.452 1 1 1083 . 11 2 2 B 26 26 MET CA C 124 56.279 54.999 1.280 1 1 1084 . 11 2 2 B 26 26 MET CB C 124 32.900 35.319 -2.419 1 1 1086 . 11 2 2 B 26 26 MET N N 124 121.210 119.814 1.396 1 1 1087 . 11 2 2 B 27 27 LYS H H 125 8.025 8.823 -0.798 1 1 1088 . 11 2 2 B 27 27 LYS HA H 125 4.312 4.972 -0.660 1 1 1097 . 11 2 2 B 27 27 LYS C C 125 176.355 174.926 1.429 1 1 1098 . 11 2 2 B 27 27 LYS CA C 125 56.656 54.184 2.472 1 1 1099 . 11 2 2 B 27 27 LYS CB C 125 33.529 36.781 -3.252 1 1 1103 . 11 2 2 B 27 27 LYS N N 125 121.457 122.179 -0.722 1 1 1104 . 11 2 2 B 28 28 GLU H H 126 8.222 8.985 -0.763 1 1 1105 . 11 2 2 B 28 28 GLU N N 126 122.740 118.065 4.675 1 1 1106 . 11 2 2 B 29 29 PRO HA H 127 4.355 4.755 -0.400 1 1 1113 . 11 2 2 B 29 29 PRO C C 127 176.812 176.152 0.660 1 1 1114 . 11 2 2 B 29 29 PRO CA C 127 63.821 62.475 1.346 1 1 1115 . 11 2 2 B 29 29 PRO CB C 127 32.272 33.159 -0.887 1 1 1118 . 11 2 2 B 30 30 ALA H H 128 8.267 8.344 -0.077 1 1 1119 . 11 2 2 B 30 30 ALA HA H 128 4.269 4.679 -0.410 1 1 1123 . 11 2 2 B 30 30 ALA C C 128 177.589 178.507 -0.918 1 1 1124 . 11 2 2 B 30 30 ALA CA C 128 52.873 51.216 1.657 1 1 1125 . 11 2 2 B 30 30 ALA CB C 128 19.703 19.657 0.046 1 1 1126 . 11 2 2 B 30 30 ALA N N 128 123.577 121.659 1.918 1 1 1127 . 11 2 2 B 31 31 PHE H H 129 8.019 7.416 0.603 1 1 1128 . 11 2 2 B 31 31 PHE HA H 129 4.621 4.200 0.421 1 1 1136 . 11 2 2 B 31 31 PHE C C 129 175.624 176.767 -1.143 1 1 1137 . 11 2 2 B 31 31 PHE CA C 129 58.039 61.211 -3.172 1 1 1138 . 11 2 2 B 31 31 PHE CB C 129 40.055 39.779 0.276 1 1 1142 . 11 2 2 B 31 31 PHE N N 129 118.994 119.488 -0.494 1 1 1143 . 11 2 2 B 32 32 ARG H H 130 8.029 8.218 -0.189 1 1 1144 . 11 2 2 B 32 32 ARG HA H 130 4.309 4.442 -0.133 1 1 1151 . 11 2 2 B 32 32 ARG C C 130 175.875 175.256 0.619 1 1 1152 . 11 2 2 B 32 32 ARG CA C 130 56.154 55.273 0.881 1 1 1153 . 11 2 2 B 32 32 ARG CB C 130 31.643 31.784 -0.141 1 1 1156 . 11 2 2 B 32 32 ARG N N 130 122.929 116.647 6.282 1 1 1157 . 11 2 2 B 33 33 GLU H H 131 8.374 7.980 0.394 1 1 1158 . 11 2 2 B 33 33 GLU HA H 131 4.276 4.740 -0.464 1 1 1163 . 11 2 2 B 33 33 GLU C C 131 176.766 174.776 1.990 1 1 1164 . 11 2 2 B 33 33 GLU CA C 131 57.285 54.855 2.430 1 1 1165 . 11 2 2 B 33 33 GLU CB C 131 30.512 32.098 -1.586 1 1 1167 . 11 2 2 B 33 33 GLU N N 131 122.719 118.606 4.113 1 1 1168 . 11 2 2 B 34 34 GLU H H 132 8.509 8.848 -0.339 1 1 1169 . 11 2 2 B 34 34 GLU HA H 132 4.271 4.881 -0.610 1 1 1174 . 11 2 2 B 34 34 GLU C C 132 176.560 175.214 1.346 1 1 1175 . 11 2 2 B 34 34 GLU CA C 132 57.400 54.894 2.506 1 1 1176 . 11 2 2 B 34 34 GLU CB C 132 30.530 31.229 -0.699 1 1 1178 . 11 2 2 B 34 34 GLU N N 132 122.122 122.656 -0.534 1 1 1179 . 11 2 2 B 35 35 ASN H H 133 8.362 8.815 -0.453 1 1 1180 . 11 2 2 B 35 35 ASN HA H 133 4.693 5.164 -0.471 1 1 1183 . 11 2 2 B 35 35 ASN C C 133 175.258 174.281 0.977 1 1 1184 . 11 2 2 B 35 35 ASN CA C 133 53.765 51.421 2.344 1 1 1185 . 11 2 2 B 35 35 ASN CB C 133 39.562 41.991 -2.429 1 1 1186 . 11 2 2 B 35 35 ASN N N 133 119.552 123.944 -4.392 1 1 1187 . 11 2 2 B 36 36 ALA H H 134 8.155 8.482 -0.327 1 1 1188 . 11 2 2 B 36 36 ALA HA H 134 4.265 3.794 0.471 1 1 1192 . 11 2 2 B 36 36 ALA C C 134 177.520 177.072 0.448 1 1 1193 . 11 2 2 B 36 36 ALA CA C 134 52.873 52.785 0.088 1 1 1194 . 11 2 2 B 36 36 ALA CB C 134 19.703 17.614 2.089 1 1 1195 . 11 2 2 B 36 36 ALA N N 134 124.376 120.170 4.206 1 1 1196 . 11 2 2 B 37 37 ASN H H 135 8.210 7.922 0.288 1 1 1197 . 11 2 2 B 37 37 ASN HA H 135 4.688 4.763 -0.075 1 1 1200 . 11 2 2 B 37 37 ASN C C 135 175.144 174.963 0.181 1 1 1201 . 11 2 2 B 37 37 ASN CA C 135 53.640 52.858 0.782 1 1 1202 . 11 2 2 B 37 37 ASN CB C 135 39.311 38.711 0.600 1 1 1203 . 11 2 2 B 37 37 ASN N N 135 117.103 115.129 1.974 1 1 1204 . 11 2 2 B 38 38 PHE H H 136 7.997 7.736 0.261 1 1 1205 . 11 2 2 B 38 38 PHE HA H 136 4.623 4.173 0.450 1 1 1212 . 11 2 2 B 38 38 PHE C C 136 175.601 174.846 0.755 1 1 1213 . 11 2 2 B 38 38 PHE CA C 136 58.165 58.353 -0.188 1 1 1214 . 11 2 2 B 38 38 PHE CB C 136 39.939 37.362 2.577 1 1 1217 . 11 2 2 B 38 38 PHE N N 136 120.229 117.414 2.815 1 1 1218 . 11 2 2 B 39 39 ASN H H 137 8.272 8.836 -0.564 1 1 1219 . 11 2 2 B 39 39 ASN HA H 137 4.702 5.066 -0.364 1 1 1222 . 11 2 2 B 39 39 ASN C C 137 174.047 174.271 -0.224 1 1 1223 . 11 2 2 B 39 39 ASN CA C 137 53.891 53.176 0.715 1 1 1224 . 11 2 2 B 39 39 ASN CB C 137 39.688 39.158 0.530 1 1 1225 . 11 2 2 B 39 39 ASN N N 137 120.594 120.855 -0.261 1 1 3 . 12 1 1 A 4 4 PRO HA H 2 4.510 4.750 -0.240 1 1 10 . 12 1 1 A 4 4 PRO C C 2 177.132 175.692 1.440 1 1 11 . 12 1 1 A 4 4 PRO CA C 2 63.529 62.182 1.347 1 1 12 . 12 1 1 A 4 4 PRO CB C 2 32.476 32.743 -0.267 1 1 15 . 12 1 1 A 5 5 VAL H H 3 8.201 8.549 -0.348 1 1 16 . 12 1 1 A 5 5 VAL HA H 3 4.140 4.278 -0.138 1 1 24 . 12 1 1 A 5 5 VAL C C 3 176.423 174.913 1.510 1 1 25 . 12 1 1 A 5 5 VAL CA C 3 62.873 61.641 1.232 1 1 26 . 12 1 1 A 5 5 VAL CB C 3 33.455 30.856 2.599 1 1 28 . 12 1 1 A 5 5 VAL N N 3 120.488 121.200 -0.712 1 1 29 . 12 1 1 A 6 6 SER H H 4 8.276 8.929 -0.653 1 1 30 . 12 1 1 A 6 6 SER HA H 4 4.487 5.349 -0.862 1 1 33 . 12 1 1 A 6 6 SER C C 4 174.687 173.004 1.683 1 1 34 . 12 1 1 A 6 6 SER CA C 4 58.375 56.698 1.677 1 1 35 . 12 1 1 A 6 6 SER CB C 4 64.295 64.710 -0.415 1 1 36 . 12 1 1 A 6 6 SER N N 4 119.000 121.752 -2.752 1 1 37 . 12 1 1 A 7 7 LEU H H 5 8.238 8.954 -0.716 1 1 38 . 12 1 1 A 7 7 LEU HA H 5 4.397 4.984 -0.587 1 1 44 . 12 1 1 A 7 7 LEU C C 5 177.406 175.456 1.950 1 1 45 . 12 1 1 A 7 7 LEU CA C 5 55.766 53.532 2.234 1 1 46 . 12 1 1 A 7 7 LEU CB C 5 43.132 43.235 -0.103 1 1 48 . 12 1 1 A 7 7 LEU N N 5 124.704 127.702 -2.998 1 1 49 . 12 1 1 A 8 8 SER H H 6 8.148 8.762 -0.614 1 1 50 . 12 1 1 A 8 8 SER HA H 6 4.438 4.890 -0.452 1 1 53 . 12 1 1 A 8 8 SER C C 6 174.321 172.381 1.940 1 1 54 . 12 1 1 A 8 8 SER CA C 6 58.718 57.517 1.201 1 1 55 . 12 1 1 A 8 8 SER CB C 6 64.295 67.279 -2.984 1 1 56 . 12 1 1 A 8 8 SER N N 6 115.960 119.253 -3.293 1 1 57 . 12 1 1 A 9 9 TYR H H 7 7.915 8.792 -0.877 1 1 58 . 12 1 1 A 9 9 TYR HA H 7 4.585 4.769 -0.184 1 1 65 . 12 1 1 A 9 9 TYR C C 7 175.532 176.168 -0.636 1 1 66 . 12 1 1 A 9 9 TYR CA C 7 58.335 57.250 1.085 1 1 67 . 12 1 1 A 9 9 TYR CB C 7 39.474 37.724 1.750 1 1 70 . 12 1 1 A 9 9 TYR N N 7 121.884 121.022 0.862 1 1 71 . 12 1 1 A 10 10 ARG H H 8 8.117 8.039 0.078 1 1 72 . 12 1 1 A 10 10 ARG HA H 8 4.337 4.988 -0.651 1 1 79 . 12 1 1 A 10 10 ARG C C 8 175.898 174.541 1.357 1 1 80 . 12 1 1 A 10 10 ARG CA C 8 56.048 53.912 2.136 1 1 81 . 12 1 1 A 10 10 ARG CB C 8 31.492 34.357 -2.865 1 1 84 . 12 1 1 A 10 10 ARG N N 8 121.977 122.498 -0.521 1 1 85 . 12 1 1 A 11 11 CYS H H 9 8.127 8.631 -0.504 1 1 86 . 12 1 1 A 11 11 CYS HA H 9 4.984 5.032 -0.048 1 1 89 . 12 1 1 A 11 11 CYS C C 9 177.771 173.725 4.046 1 1 90 . 12 1 1 A 11 11 CYS CA C 9 53.192 54.623 -1.431 1 1 91 . 12 1 1 A 11 11 CYS CB C 9 40.897 43.463 -2.566 1 1 92 . 12 1 1 A 11 11 CYS N N 9 121.209 120.302 0.907 1 1 93 . 12 1 1 A 12 12 PRO HA H 10 4.321 4.355 -0.034 1 1 100 . 12 1 1 A 12 12 PRO CA C 10 65.478 65.560 -0.082 1 1 101 . 12 1 1 A 12 12 PRO CB C 10 32.904 31.366 1.538 1 1 104 . 12 1 1 A 13 13 CYS H H 11 8.633 8.260 0.373 1 1 105 . 12 1 1 A 13 13 CYS C C 11 174.618 173.689 0.929 1 1 106 . 12 1 1 A 13 13 CYS N N 11 114.595 116.201 -1.606 1 1 107 . 12 1 1 A 14 14 ARG H H 12 8.236 8.935 -0.699 1 1 108 . 12 1 1 A 14 14 ARG HA H 12 4.067 4.094 -0.027 1 1 115 . 12 1 1 A 14 14 ARG C C 12 175.098 175.375 -0.277 1 1 116 . 12 1 1 A 14 14 ARG CA C 12 57.370 57.806 -0.436 1 1 117 . 12 1 1 A 14 14 ARG CB C 12 31.631 30.769 0.862 1 1 120 . 12 1 1 A 14 14 ARG N N 12 122.779 127.225 -4.446 1 1 121 . 12 1 1 A 15 15 PHE H H 13 7.571 7.660 -0.089 1 1 122 . 12 1 1 A 15 15 PHE HA H 13 4.510 5.191 -0.681 1 1 129 . 12 1 1 A 15 15 PHE C C 13 174.162 175.172 -1.010 1 1 130 . 12 1 1 A 15 15 PHE CA C 13 56.289 56.375 -0.086 1 1 131 . 12 1 1 A 15 15 PHE CB C 13 41.320 43.133 -1.813 1 1 134 . 12 1 1 A 15 15 PHE N N 13 116.797 116.017 0.780 1 1 135 . 12 1 1 A 16 16 PHE H H 14 8.084 8.725 -0.641 1 1 136 . 12 1 1 A 16 16 PHE HA H 14 4.767 5.620 -0.853 1 1 143 . 12 1 1 A 16 16 PHE C C 14 175.441 173.054 2.387 1 1 144 . 12 1 1 A 16 16 PHE CA C 14 55.767 55.155 0.612 1 1 145 . 12 1 1 A 16 16 PHE CB C 14 41.320 42.654 -1.334 1 1 148 . 12 1 1 A 16 16 PHE N N 14 118.930 118.027 0.903 1 1 149 . 12 1 1 A 17 17 GLU H H 15 8.815 9.294 -0.479 1 1 150 . 12 1 1 A 17 17 GLU HA H 15 4.579 4.592 -0.013 1 1 155 . 12 1 1 A 17 17 GLU C C 15 176.857 175.881 0.976 1 1 156 . 12 1 1 A 17 17 GLU CA C 15 56.289 56.088 0.201 1 1 157 . 12 1 1 A 17 17 GLU CB C 15 31.173 31.545 -0.372 1 1 159 . 12 1 1 A 17 17 GLU N N 15 122.929 121.200 1.729 1 1 160 . 12 1 1 A 18 18 SER H H 16 8.751 8.816 -0.065 1 1 161 . 12 1 1 A 18 18 SER HA H 16 4.762 4.744 0.018 1 1 164 . 12 1 1 A 18 18 SER C C 16 177.497 174.406 3.091 1 1 165 . 12 1 1 A 18 18 SER CA C 16 59.328 60.055 -0.727 1 1 166 . 12 1 1 A 18 18 SER CB C 16 64.515 65.304 -0.789 1 1 167 . 12 1 1 A 18 18 SER N N 16 118.860 117.643 1.217 1 1 168 . 12 1 1 A 19 19 HIS H H 17 8.761 8.129 0.632 1 1 169 . 12 1 1 A 19 19 HIS HA H 17 4.832 4.822 0.010 1 1 174 . 12 1 1 A 19 19 HIS C C 17 174.618 174.972 -0.354 1 1 175 . 12 1 1 A 19 19 HIS CA C 17 56.449 55.156 1.293 1 1 176 . 12 1 1 A 19 19 HIS CB C 17 30.214 28.891 1.323 1 1 179 . 12 1 1 A 19 19 HIS N N 17 120.535 119.791 0.744 1 1 180 . 12 1 1 A 20 20 VAL H H 18 7.085 7.838 -0.753 1 1 181 . 12 1 1 A 20 20 VAL HA H 18 4.160 4.059 0.101 1 1 189 . 12 1 1 A 20 20 VAL C C 18 174.436 175.429 -0.993 1 1 190 . 12 1 1 A 20 20 VAL CA C 18 62.167 61.944 0.223 1 1 191 . 12 1 1 A 20 20 VAL CB C 18 34.426 33.211 1.215 1 1 193 . 12 1 1 A 20 20 VAL N N 18 120.872 122.143 -1.271 1 1 194 . 12 1 1 A 21 21 ALA H H 19 8.521 8.726 -0.205 1 1 195 . 12 1 1 A 21 21 ALA HA H 19 4.367 4.336 0.031 1 1 199 . 12 1 1 A 21 21 ALA C C 19 177.657 177.786 -0.129 1 1 200 . 12 1 1 A 21 21 ALA CA C 19 51.193 51.136 0.057 1 1 201 . 12 1 1 A 21 21 ALA CB C 19 19.790 19.824 -0.034 1 1 202 . 12 1 1 A 21 21 ALA N N 19 131.339 129.303 2.036 1 1 203 . 12 1 1 A 22 22 ARG H H 20 7.790 8.160 -0.370 1 1 204 . 12 1 1 A 22 22 ARG HA H 20 2.451 2.607 -0.156 1 1 211 . 12 1 1 A 22 22 ARG C C 20 178.365 177.251 1.114 1 1 212 . 12 1 1 A 22 22 ARG CA C 20 59.379 58.758 0.621 1 1 213 . 12 1 1 A 22 22 ARG CB C 20 29.572 29.151 0.421 1 1 216 . 12 1 1 A 22 22 ARG N N 20 124.365 123.595 0.770 1 1 217 . 12 1 1 A 23 23 ALA H H 21 8.120 7.543 0.577 1 1 218 . 12 1 1 A 23 23 ALA HA H 21 4.060 4.083 -0.023 1 1 222 . 12 1 1 A 23 23 ALA C C 21 178.000 178.230 -0.230 1 1 223 . 12 1 1 A 23 23 ALA CA C 21 54.100 53.218 0.882 1 1 224 . 12 1 1 A 23 23 ALA CB C 21 18.713 18.611 0.102 1 1 225 . 12 1 1 A 23 23 ALA N N 21 117.156 119.976 -2.820 1 1 226 . 12 1 1 A 24 24 ASN H H 22 7.707 7.836 -0.129 1 1 227 . 12 1 1 A 24 24 ASN HA H 22 5.010 4.749 0.261 1 1 232 . 12 1 1 A 24 24 ASN C C 22 174.938 174.850 0.088 1 1 233 . 12 1 1 A 24 24 ASN CA C 22 52.869 53.563 -0.694 1 1 234 . 12 1 1 A 24 24 ASN CB C 22 40.573 39.262 1.311 1 1 235 . 12 1 1 A 24 24 ASN N N 22 112.819 115.334 -2.515 1 1 237 . 12 1 1 A 25 25 VAL H H 23 7.489 6.947 0.542 1 1 238 . 12 1 1 A 25 25 VAL HA H 23 4.888 4.309 0.579 1 1 246 . 12 1 1 A 25 25 VAL C C 23 175.829 175.502 0.327 1 1 247 . 12 1 1 A 25 25 VAL CA C 23 59.870 60.392 -0.522 1 1 248 . 12 1 1 A 25 25 VAL CB C 23 35.396 34.035 1.361 1 1 251 . 12 1 1 A 25 25 VAL N N 23 119.721 117.304 2.417 1 1 252 . 12 1 1 A 26 26 LYS H H 24 9.480 9.460 0.020 1 1 253 . 12 1 1 A 26 26 LYS HA H 24 4.353 4.261 0.092 1 1 262 . 12 1 1 A 26 26 LYS C C 24 176.606 176.633 -0.027 1 1 263 . 12 1 1 A 26 26 LYS CA C 24 58.977 57.724 1.253 1 1 264 . 12 1 1 A 26 26 LYS CB C 24 34.567 32.825 1.742 1 1 268 . 12 1 1 A 26 26 LYS N N 24 127.843 121.908 5.935 1 1 269 . 12 1 1 A 27 27 HIS H H 25 7.237 7.465 -0.228 1 1 270 . 12 1 1 A 27 27 HIS HA H 25 4.979 4.890 0.089 1 1 275 . 12 1 1 A 27 27 HIS C C 25 178.434 172.526 5.908 1 1 276 . 12 1 1 A 27 27 HIS CA C 25 55.406 54.873 0.533 1 1 277 . 12 1 1 A 27 27 HIS CB C 25 32.480 31.149 1.331 1 1 280 . 12 1 1 A 27 27 HIS N N 25 109.556 113.246 -3.690 1 1 281 . 12 1 1 A 28 28 LEU H H 26 8.189 8.740 -0.551 1 1 282 . 12 1 1 A 28 28 LEU HA H 26 5.190 5.265 -0.075 1 1 292 . 12 1 1 A 28 28 LEU C C 26 175.510 175.576 -0.066 1 1 293 . 12 1 1 A 28 28 LEU CA C 26 53.480 53.575 -0.095 1 1 294 . 12 1 1 A 28 28 LEU CB C 26 45.235 45.439 -0.204 1 1 298 . 12 1 1 A 28 28 LEU N N 26 117.260 119.830 -2.570 1 1 299 . 12 1 1 A 29 29 LYS H H 27 9.572 8.862 0.710 1 1 300 . 12 1 1 A 29 29 LYS HA H 27 5.372 5.121 0.251 1 1 309 . 12 1 1 A 29 29 LYS C C 27 174.801 174.415 0.386 1 1 310 . 12 1 1 A 29 29 LYS CA C 27 55.165 54.939 0.226 1 1 311 . 12 1 1 A 29 29 LYS CB C 27 35.253 35.590 -0.337 1 1 315 . 12 1 1 A 29 29 LYS N N 27 123.488 122.825 0.663 1 1 316 . 12 1 1 A 30 30 ILE H H 28 9.136 9.012 0.124 1 1 317 . 12 1 1 A 30 30 ILE HA H 28 4.924 5.290 -0.366 1 1 327 . 12 1 1 A 30 30 ILE C C 28 176.949 175.045 1.904 1 1 328 . 12 1 1 A 30 30 ILE CA C 28 60.542 59.665 0.877 1 1 329 . 12 1 1 A 30 30 ILE CB C 28 39.600 40.492 -0.892 1 1 333 . 12 1 1 A 30 30 ILE N N 28 123.846 127.531 -3.685 1 1 334 . 12 1 1 A 31 31 LEU H H 29 8.805 9.216 -0.411 1 1 335 . 12 1 1 A 31 31 LEU HA H 29 4.535 4.998 -0.463 1 1 344 . 12 1 1 A 31 31 LEU C C 29 176.012 175.406 0.606 1 1 345 . 12 1 1 A 31 31 LEU CA C 29 55.366 53.752 1.614 1 1 346 . 12 1 1 A 31 31 LEU CB C 29 43.180 46.254 -3.074 1 1 349 . 12 1 1 A 31 31 LEU N N 29 128.649 126.494 2.155 1 1 350 . 12 1 1 A 32 32 ASN H H 30 8.216 8.982 -0.766 1 1 351 . 12 1 1 A 32 32 ASN HA H 30 5.005 5.364 -0.359 1 1 356 . 12 1 1 A 32 32 ASN C C 30 174.664 174.778 -0.114 1 1 357 . 12 1 1 A 32 32 ASN CA C 30 52.517 51.769 0.748 1 1 358 . 12 1 1 A 32 32 ASN CB C 30 38.776 41.346 -2.570 1 1 359 . 12 1 1 A 32 32 ASN N N 30 120.791 121.294 -0.503 1 1 361 . 12 1 1 A 33 33 THR H H 31 7.883 8.853 -0.970 1 1 362 . 12 1 1 A 33 33 THR HA H 31 4.842 5.000 -0.158 1 1 367 . 12 1 1 A 33 33 THR CA C 31 58.369 58.983 -0.614 1 1 368 . 12 1 1 A 33 33 THR CB C 31 70.018 69.427 0.591 1 1 370 . 12 1 1 A 33 33 THR N N 31 115.811 116.780 -0.969 1 1 371 . 12 1 1 A 34 34 PRO HA H 32 4.317 4.570 -0.253 1 1 378 . 12 1 1 A 34 34 PRO CA C 32 65.164 63.847 1.317 1 1 379 . 12 1 1 A 34 34 PRO CB C 32 32.484 31.662 0.822 1 1 382 . 12 1 1 A 35 35 ASN H H 33 8.259 8.548 -0.289 1 1 383 . 12 1 1 A 35 35 ASN HA H 33 4.651 5.029 -0.378 1 1 388 . 12 1 1 A 35 35 ASN C C 33 174.710 173.931 0.779 1 1 389 . 12 1 1 A 35 35 ASN CA C 33 54.532 53.570 0.962 1 1 390 . 12 1 1 A 35 35 ASN CB C 33 39.167 41.801 -2.634 1 1 391 . 12 1 1 A 35 35 ASN N N 33 120.081 117.168 2.913 1 1 393 . 12 1 1 A 36 36 CYS H H 34 7.569 7.526 0.043 1 1 394 . 12 1 1 A 36 36 CYS HA H 34 4.675 4.931 -0.256 1 1 397 . 12 1 1 A 36 36 CYS C C 34 173.865 173.211 0.654 1 1 398 . 12 1 1 A 36 36 CYS CA C 34 55.447 54.728 0.719 1 1 399 . 12 1 1 A 36 36 CYS CB C 34 45.228 47.019 -1.791 1 1 400 . 12 1 1 A 36 36 CYS N N 34 117.076 116.575 0.501 1 1 401 . 12 1 1 A 37 37 ALA H H 35 8.472 8.391 0.081 1 1 402 . 12 1 1 A 37 37 ALA HA H 35 4.223 4.172 0.051 1 1 406 . 12 1 1 A 37 37 ALA C C 35 176.423 177.006 -0.583 1 1 407 . 12 1 1 A 37 37 ALA CA C 35 53.537 52.169 1.368 1 1 408 . 12 1 1 A 37 37 ALA CB C 35 19.202 19.462 -0.260 1 1 409 . 12 1 1 A 37 37 ALA N N 35 125.153 125.115 0.038 1 1 410 . 12 1 1 A 38 38 CYS H H 36 8.316 8.327 -0.011 1 1 411 . 12 1 1 A 38 38 CYS HA H 36 4.196 4.303 -0.107 1 1 414 . 12 1 1 A 38 38 CYS C C 36 173.705 174.233 -0.528 1 1 415 . 12 1 1 A 38 38 CYS CA C 36 58.616 59.770 -1.154 1 1 416 . 12 1 1 A 38 38 CYS CB C 36 45.705 27.970 17.735 1 1 417 . 12 1 1 A 38 38 CYS N N 36 118.837 118.722 0.115 1 1 418 . 12 1 1 A 39 39 GLN H H 37 8.928 8.908 0.020 1 1 419 . 12 1 1 A 39 39 GLN HA H 37 4.596 4.850 -0.254 1 1 426 . 12 1 1 A 39 39 GLN C C 37 173.636 174.760 -1.124 1 1 427 . 12 1 1 A 39 39 GLN CA C 37 54.603 54.446 0.157 1 1 428 . 12 1 1 A 39 39 GLN CB C 37 31.761 30.593 1.168 1 1 430 . 12 1 1 A 39 39 GLN N N 37 128.567 125.403 3.164 1 1 432 . 12 1 1 A 40 40 ILE H H 38 8.851 8.502 0.349 1 1 433 . 12 1 1 A 40 40 ILE HA H 38 5.087 4.789 0.298 1 1 443 . 12 1 1 A 40 40 ILE C C 38 174.390 174.750 -0.360 1 1 444 . 12 1 1 A 40 40 ILE CA C 38 60.582 59.973 0.609 1 1 445 . 12 1 1 A 40 40 ILE CB C 38 40.048 39.255 0.793 1 1 449 . 12 1 1 A 40 40 ILE N N 38 123.962 125.549 -1.587 1 1 450 . 12 1 1 A 41 41 VAL H H 39 9.090 9.669 -0.579 1 1 451 . 12 1 1 A 41 41 VAL HA H 39 4.822 4.820 0.002 1 1 459 . 12 1 1 A 41 41 VAL C C 39 175.487 175.138 0.349 1 1 460 . 12 1 1 A 41 41 VAL CA C 39 59.980 61.225 -1.245 1 1 461 . 12 1 1 A 41 41 VAL CB C 39 35.868 33.569 2.299 1 1 464 . 12 1 1 A 41 41 VAL N N 39 126.354 129.179 -2.825 1 1 465 . 12 1 1 A 42 42 ALA H H 40 9.513 9.570 -0.057 1 1 466 . 12 1 1 A 42 42 ALA HA H 40 5.137 5.259 -0.122 1 1 470 . 12 1 1 A 42 42 ALA C C 40 175.944 175.670 0.274 1 1 471 . 12 1 1 A 42 42 ALA CA C 40 50.591 50.260 0.331 1 1 472 . 12 1 1 A 42 42 ALA CB C 40 22.432 23.186 -0.754 1 1 473 . 12 1 1 A 42 42 ALA N N 40 128.406 129.159 -0.753 1 1 474 . 12 1 1 A 43 43 ARG H H 41 7.720 8.369 -0.649 1 1 475 . 12 1 1 A 43 43 ARG HA H 41 4.959 4.659 0.300 1 1 482 . 12 1 1 A 43 43 ARG C C 41 175.510 176.009 -0.499 1 1 483 . 12 1 1 A 43 43 ARG CA C 41 54.162 55.465 -1.303 1 1 484 . 12 1 1 A 43 43 ARG CB C 41 31.200 31.702 -0.502 1 1 487 . 12 1 1 A 43 43 ARG N N 41 121.795 121.127 0.668 1 1 488 . 12 1 1 A 44 44 LEU H H 42 9.164 8.312 0.852 1 1 489 . 12 1 1 A 44 44 LEU HA H 42 5.021 4.398 0.623 1 1 499 . 12 1 1 A 44 44 LEU C C 42 177.840 177.448 0.392 1 1 500 . 12 1 1 A 44 44 LEU CA C 42 54.724 54.932 -0.208 1 1 501 . 12 1 1 A 44 44 LEU CB C 42 41.712 41.864 -0.152 1 1 505 . 12 1 1 A 44 44 LEU N N 42 129.087 125.792 3.295 1 1 506 . 12 1 1 A 45 45 LYS H H 43 8.396 8.801 -0.405 1 1 507 . 12 1 1 A 45 45 LYS HA H 43 3.950 3.965 -0.015 1 1 516 . 12 1 1 A 45 45 LYS CA C 43 59.016 59.331 -0.315 1 1 517 . 12 1 1 A 45 45 LYS CB C 43 34.102 32.340 1.762 1 1 520 . 12 1 1 A 45 45 LYS N N 43 119.674 122.684 -3.010 1 1 521 . 12 1 1 A 48 48 ASN HA H 46 4.709 5.133 -0.424 1 1 526 . 12 1 1 A 48 48 ASN C C 46 175.098 173.936 1.162 1 1 527 . 12 1 1 A 48 48 ASN CA C 46 54.764 51.837 2.927 1 1 528 . 12 1 1 A 48 48 ASN CB C 46 39.265 41.932 -2.667 1 1 530 . 12 1 1 A 49 49 ARG H H 47 7.923 8.287 -0.364 1 1 531 . 12 1 1 A 49 49 ARG HA H 47 4.368 4.679 -0.311 1 1 538 . 12 1 1 A 49 49 ARG C C 47 175.601 175.905 -0.304 1 1 539 . 12 1 1 A 49 49 ARG CA C 47 57.051 54.818 2.233 1 1 540 . 12 1 1 A 49 49 ARG CB C 47 32.121 31.387 0.734 1 1 543 . 12 1 1 A 49 49 ARG N N 47 119.826 118.738 1.088 1 1 544 . 12 1 1 A 50 50 GLN H H 48 8.547 8.349 0.198 1 1 545 . 12 1 1 A 50 50 GLN HA H 48 5.441 4.796 0.645 1 1 552 . 12 1 1 A 50 50 GLN C C 48 175.578 175.430 0.148 1 1 553 . 12 1 1 A 50 50 GLN CA C 48 55.125 55.242 -0.117 1 1 554 . 12 1 1 A 50 50 GLN CB C 48 32.121 30.386 1.735 1 1 556 . 12 1 1 A 50 50 GLN N N 48 120.767 118.088 2.679 1 1 558 . 12 1 1 A 51 51 VAL H H 49 8.630 9.439 -0.809 1 1 559 . 12 1 1 A 51 51 VAL HA H 49 4.826 4.847 -0.021 1 1 567 . 12 1 1 A 51 51 VAL C C 49 175.258 174.047 1.211 1 1 568 . 12 1 1 A 51 51 VAL CA C 49 59.338 59.573 -0.235 1 1 569 . 12 1 1 A 51 51 VAL CB C 49 36.155 34.373 1.782 1 1 572 . 12 1 1 A 51 51 VAL N N 49 116.678 116.659 0.019 1 1 573 . 12 1 1 A 52 52 CYS H H 50 9.095 8.338 0.757 1 1 574 . 12 1 1 A 52 52 CYS HA H 50 5.278 5.570 -0.292 1 1 577 . 12 1 1 A 52 52 CYS C C 50 174.527 172.985 1.542 1 1 578 . 12 1 1 A 52 52 CYS CA C 50 58.054 54.451 3.603 1 1 579 . 12 1 1 A 52 52 CYS CB C 50 43.162 43.524 -0.362 1 1 580 . 12 1 1 A 52 52 CYS N N 50 124.549 120.094 4.455 1 1 581 . 12 1 1 A 53 53 ILE H H 51 8.485 9.698 -1.213 1 1 582 . 12 1 1 A 53 53 ILE HA H 51 4.973 5.074 -0.101 1 1 592 . 12 1 1 A 53 53 ILE C C 51 173.019 174.862 -1.843 1 1 593 . 12 1 1 A 53 53 ILE CA C 51 58.897 59.876 -0.979 1 1 594 . 12 1 1 A 53 53 ILE CB C 51 42.201 40.717 1.484 1 1 598 . 12 1 1 A 53 53 ILE N N 51 122.581 125.878 -3.297 1 1 599 . 12 1 1 A 54 54 ASP H H 52 7.661 8.194 -0.533 1 1 600 . 12 1 1 A 54 54 ASP HA H 52 3.611 4.407 -0.796 1 1 603 . 12 1 1 A 54 54 ASP CA C 52 51.574 51.720 -0.146 1 1 604 . 12 1 1 A 54 54 ASP CB C 52 42.515 41.977 0.538 1 1 605 . 12 1 1 A 54 54 ASP N N 52 125.772 125.985 -0.213 1 1 606 . 12 1 1 A 55 55 PRO HA H 53 4.010 4.419 -0.409 1 1 613 . 12 1 1 A 55 55 PRO C C 53 176.126 175.855 0.271 1 1 614 . 12 1 1 A 55 55 PRO CA C 53 63.993 63.782 0.211 1 1 615 . 12 1 1 A 55 55 PRO CB C 53 33.002 31.654 1.348 1 1 618 . 12 1 1 A 56 56 LYS H H 54 7.930 7.962 -0.032 1 1 619 . 12 1 1 A 56 56 LYS HA H 54 3.988 4.564 -0.576 1 1 628 . 12 1 1 A 56 56 LYS C C 54 177.931 175.931 2.000 1 1 629 . 12 1 1 A 56 56 LYS CA C 54 56.770 55.143 1.627 1 1 630 . 12 1 1 A 56 56 LYS CB C 54 32.023 32.910 -0.887 1 1 634 . 12 1 1 A 56 56 LYS N N 54 112.924 117.159 -4.235 1 1 635 . 12 1 1 A 57 57 LEU H H 55 7.161 7.077 0.084 1 1 636 . 12 1 1 A 57 57 LEU HA H 55 4.059 4.426 -0.367 1 1 646 . 12 1 1 A 57 57 LEU C C 55 179.416 176.329 3.087 1 1 647 . 12 1 1 A 57 57 LEU CA C 55 56.088 53.697 2.391 1 1 648 . 12 1 1 A 57 57 LEU CB C 55 42.191 43.323 -1.132 1 1 652 . 12 1 1 A 57 57 LEU N N 55 120.593 122.853 -2.260 1 1 653 . 12 1 1 A 58 58 LYS H H 56 8.720 8.627 0.093 1 1 654 . 12 1 1 A 58 58 LYS HA H 56 3.911 4.495 -0.584 1 1 663 . 12 1 1 A 58 58 LYS C C 56 178.937 178.590 0.347 1 1 664 . 12 1 1 A 58 58 LYS CA C 56 60.301 57.766 2.535 1 1 665 . 12 1 1 A 58 58 LYS CB C 56 32.121 34.750 -2.629 1 1 669 . 12 1 1 A 58 58 LYS N N 56 125.479 120.749 4.730 1 1 670 . 12 1 1 A 59 59 TRP H H 57 7.811 8.333 -0.522 1 1 671 . 12 1 1 A 59 59 TRP HA H 57 4.664 4.474 0.190 1 1 680 . 12 1 1 A 59 59 TRP C C 57 178.868 179.482 -0.614 1 1 681 . 12 1 1 A 59 59 TRP CA C 57 58.897 59.907 -1.010 1 1 682 . 12 1 1 A 59 59 TRP CB C 57 28.036 27.873 0.163 1 1 688 . 12 1 1 A 59 59 TRP N N 57 113.433 119.799 -6.366 1 1 690 . 12 1 1 A 60 60 ILE H H 58 6.461 7.631 -1.170 1 1 691 . 12 1 1 A 60 60 ILE HA H 58 3.304 3.515 -0.211 1 1 701 . 12 1 1 A 60 60 ILE C C 58 177.726 177.921 -0.195 1 1 702 . 12 1 1 A 60 60 ILE CA C 58 64.314 65.015 -0.701 1 1 703 . 12 1 1 A 60 60 ILE CB C 58 35.897 37.602 -1.705 1 1 707 . 12 1 1 A 60 60 ILE N N 58 124.379 122.424 1.955 1 1 708 . 12 1 1 A 61 61 GLN H H 59 7.624 8.047 -0.423 1 1 709 . 12 1 1 A 61 61 GLN HA H 59 3.748 3.896 -0.148 1 1 716 . 12 1 1 A 61 61 GLN C C 59 178.434 178.894 -0.460 1 1 717 . 12 1 1 A 61 61 GLN CA C 59 59.379 59.264 0.115 1 1 718 . 12 1 1 A 61 61 GLN CB C 59 28.272 28.458 -0.186 1 1 720 . 12 1 1 A 61 61 GLN N N 59 119.070 118.302 0.768 1 1 722 . 12 1 1 A 62 62 GLU H H 60 8.064 7.714 0.350 1 1 723 . 12 1 1 A 62 62 GLU HA H 60 4.083 4.121 -0.038 1 1 728 . 12 1 1 A 62 62 GLU C C 60 179.051 178.992 0.059 1 1 729 . 12 1 1 A 62 62 GLU CA C 60 59.659 59.178 0.481 1 1 730 . 12 1 1 A 62 62 GLU CB C 60 30.457 29.887 0.570 1 1 732 . 12 1 1 A 62 62 GLU N N 60 117.166 120.281 -3.115 1 1 733 . 12 1 1 A 63 63 TYR H H 61 7.924 7.962 -0.038 1 1 734 . 12 1 1 A 63 63 TYR HA H 61 4.254 4.284 -0.030 1 1 741 . 12 1 1 A 63 63 TYR C C 61 178.617 177.621 0.996 1 1 742 . 12 1 1 A 63 63 TYR CA C 61 61.184 61.538 -0.354 1 1 743 . 12 1 1 A 63 63 TYR CB C 61 39.461 38.936 0.525 1 1 746 . 12 1 1 A 63 63 TYR N N 61 121.271 122.460 -1.189 1 1 747 . 12 1 1 A 64 64 LEU H H 62 8.260 8.929 -0.669 1 1 748 . 12 1 1 A 64 64 LEU HA H 62 3.954 3.923 0.031 1 1 758 . 12 1 1 A 64 64 LEU C C 62 179.553 179.183 0.370 1 1 759 . 12 1 1 A 64 64 LEU CA C 62 58.014 58.236 -0.222 1 1 760 . 12 1 1 A 64 64 LEU CB C 62 42.191 41.703 0.488 1 1 764 . 12 1 1 A 64 64 LEU N N 62 116.299 119.995 -3.696 1 1 765 . 12 1 1 A 65 65 GLU H H 63 8.454 7.910 0.544 1 1 766 . 12 1 1 A 65 65 GLU HA H 63 3.840 3.935 -0.095 1 1 771 . 12 1 1 A 65 65 GLU C C 63 179.279 179.685 -0.406 1 1 772 . 12 1 1 A 65 65 GLU CA C 63 60.301 59.644 0.657 1 1 773 . 12 1 1 A 65 65 GLU CB C 63 29.870 29.108 0.762 1 1 775 . 12 1 1 A 65 65 GLU N N 63 118.616 117.534 1.082 1 1 776 . 12 1 1 A 66 66 LYS H H 64 7.575 7.724 -0.149 1 1 777 . 12 1 1 A 66 66 LYS HA H 64 4.212 3.971 0.241 1 1 786 . 12 1 1 A 66 66 LYS C C 64 178.457 179.760 -1.303 1 1 787 . 12 1 1 A 66 66 LYS CA C 64 58.496 59.169 -0.673 1 1 788 . 12 1 1 A 66 66 LYS CB C 64 32.400 32.096 0.304 1 1 792 . 12 1 1 A 66 66 LYS N N 64 117.166 119.159 -1.993 1 1 793 . 12 1 1 A 67 67 CYS H H 65 7.918 7.996 -0.078 1 1 794 . 12 1 1 A 67 67 CYS HA H 65 4.526 4.029 0.497 1 1 797 . 12 1 1 A 67 67 CYS C C 65 174.893 176.888 -1.995 1 1 798 . 12 1 1 A 67 67 CYS CA C 65 56.329 63.544 -7.215 1 1 799 . 12 1 1 A 67 67 CYS CB C 65 45.235 27.154 18.081 1 1 800 . 12 1 1 A 67 67 CYS N N 65 115.330 118.608 -3.278 1 1 801 . 12 1 1 A 68 68 LEU H H 66 7.559 7.814 -0.255 1 1 802 . 12 1 1 A 68 68 LEU HA H 66 4.490 4.047 0.443 1 1 812 . 12 1 1 A 68 68 LEU C C 66 176.812 177.683 -0.871 1 1 813 . 12 1 1 A 68 68 LEU CA C 66 55.366 57.565 -2.199 1 1 814 . 12 1 1 A 68 68 LEU CB C 66 43.278 41.256 2.022 1 1 818 . 12 1 1 A 68 68 LEU N N 66 120.930 123.219 -2.289 1 1 819 . 12 1 1 A 69 69 ASN H H 67 8.265 7.375 0.890 1 1 820 . 12 1 1 A 69 69 ASN HA H 67 4.669 4.845 -0.176 1 1 825 . 12 1 1 A 69 69 ASN CA C 67 53.761 52.869 0.892 1 1 826 . 12 1 1 A 69 69 ASN CB C 67 39.069 39.657 -0.588 1 1 827 . 12 1 1 A 69 69 ASN N N 67 120.279 115.526 4.753 1 1 852 . 12 2 2 B 4 4 GLU H H 102 8.329 7.741 0.588 1 1 853 . 12 2 2 B 4 4 GLU HA H 102 4.282 4.578 -0.296 1 1 858 . 12 2 2 B 4 4 GLU C C 102 177.132 176.085 1.047 1 1 859 . 12 2 2 B 4 4 GLU CA C 102 57.410 55.610 1.800 1 1 861 . 12 2 2 B 4 4 GLU N N 102 121.884 119.740 2.144 1 1 862 . 12 2 2 B 5 5 GLY H H 103 8.335 8.743 -0.408 1 1 863 . 12 2 2 B 5 5 GLY HA2 H 103 3.941 4.008 -0.067 1 1 864 . 12 2 2 B 5 5 GLY HA3 H 103 3.941 4.008 -0.067 1 1 865 . 12 2 2 B 5 5 GLY C C 103 174.207 174.559 -0.352 1 1 866 . 12 2 2 B 5 5 GLY CA C 103 45.731 45.910 -0.179 1 1 867 . 12 2 2 B 5 5 GLY N N 103 110.055 113.686 -3.631 1 1 868 . 12 2 2 B 6 6 ILE H H 104 7.831 8.532 -0.701 1 1 869 . 12 2 2 B 6 6 ILE HA H 104 4.269 3.993 0.276 1 1 879 . 12 2 2 B 6 6 ILE C C 104 176.401 176.654 -0.253 1 1 880 . 12 2 2 B 6 6 ILE CA C 104 61.558 64.347 -2.789 1 1 881 . 12 2 2 B 6 6 ILE CB C 104 39.436 38.677 0.759 1 1 885 . 12 2 2 B 6 6 ILE N N 104 119.606 127.726 -8.120 1 1 886 . 12 2 2 B 7 7 SER H H 105 8.324 8.015 0.309 1 1 887 . 12 2 2 B 7 7 SER HA H 105 4.535 4.407 0.128 1 1 890 . 12 2 2 B 7 7 SER C C 105 174.550 174.908 -0.358 1 1 891 . 12 2 2 B 7 7 SER CA C 105 58.667 57.308 1.359 1 1 892 . 12 2 2 B 7 7 SER CB C 105 64.072 63.555 0.517 1 1 893 . 12 2 2 B 7 7 SER N N 105 119.717 115.366 4.351 1 1 937 . 12 2 2 B 11 11 SER H H 109 8.211 8.903 -0.692 1 1 938 . 12 2 2 B 11 11 SER HA H 109 4.507 4.508 -0.001 1 1 941 . 12 2 2 B 11 11 SER C C 109 174.504 173.973 0.531 1 1 942 . 12 2 2 B 11 11 SER CA C 109 58.919 58.114 0.805 1 1 943 . 12 2 2 B 11 11 SER CB C 109 64.198 63.382 0.816 1 1 944 . 12 2 2 B 11 11 SER N N 109 117.260 119.897 -2.637 1 1 945 . 12 2 2 B 12 12 ASP H H 110 8.323 8.153 0.170 1 1 946 . 12 2 2 B 12 12 ASP HA H 110 4.620 4.215 0.405 1 1 949 . 12 2 2 B 12 12 ASP C C 110 176.058 174.429 1.629 1 1 950 . 12 2 2 B 12 12 ASP CA C 110 55.022 56.275 -1.253 1 1 951 . 12 2 2 B 12 12 ASP CB C 110 41.825 38.417 3.408 1 1 952 . 12 2 2 B 12 12 ASP N N 110 122.020 117.605 4.415 1 1 986 . 12 2 2 B 16 16 GLU H H 114 8.378 7.797 0.581 1 1 987 . 12 2 2 B 16 16 GLU HA H 114 4.268 4.536 -0.268 1 1 992 . 12 2 2 B 16 16 GLU C C 114 176.766 175.556 1.210 1 1 993 . 12 2 2 B 16 16 GLU CA C 114 57.410 56.108 1.302 1 1 994 . 12 2 2 B 16 16 GLU CB C 114 30.620 30.889 -0.269 1 1 996 . 12 2 2 B 16 16 GLU N N 114 123.052 121.691 1.361 1 1 997 . 12 2 2 B 17 17 GLU H H 115 8.326 8.834 -0.508 1 1 998 . 12 2 2 B 17 17 GLU HA H 115 4.274 4.791 -0.517 1 1 1003 . 12 2 2 B 17 17 GLU C C 115 176.880 175.270 1.610 1 1 1004 . 12 2 2 B 17 17 GLU CA C 115 57.410 55.130 2.280 1 1 1005 . 12 2 2 B 17 17 GLU CB C 115 30.525 30.438 0.087 1 1 1007 . 12 2 2 B 17 17 GLU N N 115 121.688 124.859 -3.171 1 1 1008 . 12 2 2 B 18 18 MET H H 116 8.309 8.713 -0.404 1 1 1009 . 12 2 2 B 18 18 MET HA H 116 4.473 5.042 -0.569 1 1 1014 . 12 2 2 B 18 18 MET C C 116 177.086 175.067 2.019 1 1 1015 . 12 2 2 B 18 18 MET CA C 116 56.279 54.673 1.606 1 1 1016 . 12 2 2 B 18 18 MET CB C 116 33.026 34.759 -1.733 1 1 1017 . 12 2 2 B 18 18 MET N N 116 121.270 124.399 -3.129 1 1 1018 . 12 2 2 B 19 19 GLY H H 117 8.335 8.547 -0.212 1 1 1019 . 12 2 2 B 19 19 GLY HA2 H 117 4.054 4.166 -0.112 1 1 1020 . 12 2 2 B 19 19 GLY HA3 H 117 4.054 4.166 -0.112 1 1 1021 . 12 2 2 B 19 19 GLY C C 117 174.481 171.686 2.795 1 1 1022 . 12 2 2 B 19 19 GLY CA C 117 45.847 44.025 1.822 1 1 1023 . 12 2 2 B 19 19 GLY N N 117 110.055 108.344 1.711 1 1 1024 . 12 2 2 B 20 20 SER H H 118 8.230 8.254 -0.024 1 1 1025 . 12 2 2 B 20 20 SER HA H 118 4.476 5.194 -0.718 1 1 1028 . 12 2 2 B 20 20 SER C C 118 175.327 172.426 2.901 1 1 1029 . 12 2 2 B 20 20 SER CA C 118 58.919 56.718 2.201 1 1 1030 . 12 2 2 B 20 20 SER CB C 118 64.575 65.040 -0.465 1 1 1031 . 12 2 2 B 20 20 SER N N 118 115.664 114.550 1.114 1 1 1032 . 12 2 2 B 21 21 GLY H H 119 8.354 8.800 -0.446 1 1 1033 . 12 2 2 B 21 21 GLY HA2 H 119 3.941 3.944 -0.003 1 1 1034 . 12 2 2 B 21 21 GLY HA3 H 119 3.941 3.945 -0.004 1 1 1035 . 12 2 2 B 21 21 GLY C C 119 174.002 172.524 1.478 1 1 1036 . 12 2 2 B 21 21 GLY CA C 119 45.721 46.858 -1.137 1 1 1037 . 12 2 2 B 21 21 GLY N N 119 110.872 113.308 -2.436 1 1 1068 . 12 2 2 B 25 25 SER H H 123 8.155 8.101 0.054 1 1 1069 . 12 2 2 B 25 25 SER HA H 123 4.391 4.112 0.279 1 1 1072 . 12 2 2 B 25 25 SER C C 123 175.075 172.958 2.117 1 1 1073 . 12 2 2 B 25 25 SER CA C 123 59.347 59.069 0.278 1 1 1074 . 12 2 2 B 25 25 SER CB C 123 63.879 61.780 2.099 1 1 1075 . 12 2 2 B 25 25 SER N N 123 116.126 113.876 2.250 1 1 1076 . 12 2 2 B 26 26 MET H H 124 8.221 8.077 0.144 1 1 1077 . 12 2 2 B 26 26 MET HA H 124 4.476 4.867 -0.391 1 1 1082 . 12 2 2 B 26 26 MET C C 124 176.355 174.038 2.317 1 1 1083 . 12 2 2 B 26 26 MET CA C 124 56.279 53.799 2.480 1 1 1084 . 12 2 2 B 26 26 MET CB C 124 32.900 35.316 -2.416 1 1 1086 . 12 2 2 B 26 26 MET N N 124 121.210 125.963 -4.753 1 1 1087 . 12 2 2 B 27 27 LYS H H 125 8.025 8.655 -0.630 1 1 1088 . 12 2 2 B 27 27 LYS HA H 125 4.312 5.097 -0.785 1 1 1097 . 12 2 2 B 27 27 LYS C C 125 176.355 175.241 1.114 1 1 1098 . 12 2 2 B 27 27 LYS CA C 125 56.656 54.492 2.164 1 1 1099 . 12 2 2 B 27 27 LYS CB C 125 33.529 36.457 -2.928 1 1 1103 . 12 2 2 B 27 27 LYS N N 125 121.457 118.579 2.878 1 1 1104 . 12 2 2 B 28 28 GLU H H 126 8.222 8.735 -0.513 1 1 1105 . 12 2 2 B 28 28 GLU N N 126 122.740 117.505 5.235 1 1 1106 . 12 2 2 B 29 29 PRO HA H 127 4.355 4.506 -0.151 1 1 1113 . 12 2 2 B 29 29 PRO C C 127 176.812 175.310 1.502 1 1 1114 . 12 2 2 B 29 29 PRO CA C 127 63.821 62.201 1.620 1 1 1115 . 12 2 2 B 29 29 PRO CB C 127 32.272 32.350 -0.078 1 1 1118 . 12 2 2 B 30 30 ALA H H 128 8.267 8.000 0.267 1 1 1119 . 12 2 2 B 30 30 ALA HA H 128 4.269 4.667 -0.398 1 1 1123 . 12 2 2 B 30 30 ALA C C 128 177.589 175.222 2.367 1 1 1124 . 12 2 2 B 30 30 ALA CA C 128 52.873 50.539 2.334 1 1 1125 . 12 2 2 B 30 30 ALA CB C 128 19.703 21.347 -1.644 1 1 1126 . 12 2 2 B 30 30 ALA N N 128 123.577 121.773 1.804 1 1 1127 . 12 2 2 B 31 31 PHE H H 129 8.019 8.690 -0.671 1 1 1128 . 12 2 2 B 31 31 PHE HA H 129 4.621 5.091 -0.470 1 1 1136 . 12 2 2 B 31 31 PHE C C 129 175.624 175.234 0.390 1 1 1137 . 12 2 2 B 31 31 PHE CA C 129 58.039 57.027 1.012 1 1 1138 . 12 2 2 B 31 31 PHE CB C 129 40.055 39.622 0.433 1 1 1142 . 12 2 2 B 31 31 PHE N N 129 118.994 123.087 -4.093 1 1 1143 . 12 2 2 B 32 32 ARG H H 130 8.029 8.617 -0.588 1 1 1144 . 12 2 2 B 32 32 ARG HA H 130 4.309 4.838 -0.529 1 1 1151 . 12 2 2 B 32 32 ARG C C 130 175.875 174.030 1.845 1 1 1152 . 12 2 2 B 32 32 ARG CA C 130 56.154 55.769 0.385 1 1 1153 . 12 2 2 B 32 32 ARG CB C 130 31.643 34.174 -2.531 1 1 1156 . 12 2 2 B 32 32 ARG N N 130 122.929 123.638 -0.709 1 1 1157 . 12 2 2 B 33 33 GLU H H 131 8.374 8.644 -0.270 1 1 1158 . 12 2 2 B 33 33 GLU HA H 131 4.276 4.837 -0.561 1 1 1163 . 12 2 2 B 33 33 GLU C C 131 176.766 175.836 0.930 1 1 1164 . 12 2 2 B 33 33 GLU CA C 131 57.285 55.807 1.478 1 1 1165 . 12 2 2 B 33 33 GLU CB C 131 30.512 30.436 0.076 1 1 1167 . 12 2 2 B 33 33 GLU N N 131 122.719 123.930 -1.211 1 1 1168 . 12 2 2 B 34 34 GLU H H 132 8.509 8.913 -0.404 1 1 1169 . 12 2 2 B 34 34 GLU HA H 132 4.271 4.847 -0.576 1 1 1174 . 12 2 2 B 34 34 GLU C C 132 176.560 175.184 1.376 1 1 1175 . 12 2 2 B 34 34 GLU CA C 132 57.400 55.282 2.118 1 1 1176 . 12 2 2 B 34 34 GLU CB C 132 30.530 30.593 -0.063 1 1 1178 . 12 2 2 B 34 34 GLU N N 132 122.122 124.477 -2.355 1 1 1179 . 12 2 2 B 35 35 ASN H H 133 8.362 8.878 -0.516 1 1 1180 . 12 2 2 B 35 35 ASN HA H 133 4.693 4.954 -0.261 1 1 1183 . 12 2 2 B 35 35 ASN C C 133 175.258 175.141 0.117 1 1 1184 . 12 2 2 B 35 35 ASN CA C 133 53.765 53.238 0.527 1 1 1185 . 12 2 2 B 35 35 ASN CB C 133 39.562 39.842 -0.280 1 1 1186 . 12 2 2 B 35 35 ASN N N 133 119.552 123.313 -3.761 1 1 1187 . 12 2 2 B 36 36 ALA H H 134 8.155 8.702 -0.547 1 1 1188 . 12 2 2 B 36 36 ALA HA H 134 4.265 4.354 -0.089 1 1 1192 . 12 2 2 B 36 36 ALA C C 134 177.520 177.719 -0.199 1 1 1193 . 12 2 2 B 36 36 ALA CA C 134 52.873 51.236 1.637 1 1 1194 . 12 2 2 B 36 36 ALA CB C 134 19.703 17.972 1.731 1 1 1195 . 12 2 2 B 36 36 ALA N N 134 124.376 127.283 -2.907 1 1 1196 . 12 2 2 B 37 37 ASN H H 135 8.210 8.533 -0.323 1 1 1197 . 12 2 2 B 37 37 ASN HA H 135 4.688 4.784 -0.096 1 1 1200 . 12 2 2 B 37 37 ASN C C 135 175.144 175.596 -0.452 1 1 1201 . 12 2 2 B 37 37 ASN CA C 135 53.640 55.782 -2.142 1 1 1202 . 12 2 2 B 37 37 ASN CB C 135 39.311 40.235 -0.924 1 1 1203 . 12 2 2 B 37 37 ASN N N 135 117.103 123.028 -5.925 1 1 1204 . 12 2 2 B 38 38 PHE H H 136 7.997 7.600 0.397 1 1 1205 . 12 2 2 B 38 38 PHE HA H 136 4.623 4.792 -0.169 1 1 1212 . 12 2 2 B 38 38 PHE C C 136 175.601 174.479 1.122 1 1 1213 . 12 2 2 B 38 38 PHE CA C 136 58.165 57.620 0.545 1 1 1214 . 12 2 2 B 38 38 PHE CB C 136 39.939 42.127 -2.188 1 1 1217 . 12 2 2 B 38 38 PHE N N 136 120.229 117.259 2.970 1 1 1218 . 12 2 2 B 39 39 ASN H H 137 8.272 8.371 -0.099 1 1 1219 . 12 2 2 B 39 39 ASN HA H 137 4.702 4.763 -0.061 1 1 1222 . 12 2 2 B 39 39 ASN C C 137 174.047 174.121 -0.074 1 1 1223 . 12 2 2 B 39 39 ASN CA C 137 53.891 54.564 -0.673 1 1 1224 . 12 2 2 B 39 39 ASN CB C 137 39.688 40.717 -1.029 1 1 1225 . 12 2 2 B 39 39 ASN N N 137 120.594 125.418 -4.824 1 1 3 . 13 1 1 A 4 4 PRO HA H 2 4.510 4.578 -0.068 1 1 10 . 13 1 1 A 4 4 PRO C C 2 177.132 175.568 1.564 1 1 11 . 13 1 1 A 4 4 PRO CA C 2 63.529 63.105 0.424 1 1 12 . 13 1 1 A 4 4 PRO CB C 2 32.476 31.811 0.665 1 1 15 . 13 1 1 A 5 5 VAL H H 3 8.201 8.525 -0.324 1 1 16 . 13 1 1 A 5 5 VAL HA H 3 4.140 4.376 -0.236 1 1 24 . 13 1 1 A 5 5 VAL C C 3 176.423 173.981 2.442 1 1 25 . 13 1 1 A 5 5 VAL CA C 3 62.873 61.210 1.663 1 1 26 . 13 1 1 A 5 5 VAL CB C 3 33.455 32.056 1.399 1 1 28 . 13 1 1 A 5 5 VAL N N 3 120.488 124.216 -3.728 1 1 29 . 13 1 1 A 6 6 SER H H 4 8.276 8.787 -0.511 1 1 30 . 13 1 1 A 6 6 SER HA H 4 4.487 5.197 -0.710 1 1 33 . 13 1 1 A 6 6 SER C C 4 174.687 172.937 1.750 1 1 34 . 13 1 1 A 6 6 SER CA C 4 58.375 57.654 0.721 1 1 35 . 13 1 1 A 6 6 SER CB C 4 64.295 65.113 -0.818 1 1 36 . 13 1 1 A 6 6 SER N N 4 119.000 122.797 -3.797 1 1 37 . 13 1 1 A 7 7 LEU H H 5 8.238 8.723 -0.485 1 1 38 . 13 1 1 A 7 7 LEU HA H 5 4.397 5.005 -0.608 1 1 44 . 13 1 1 A 7 7 LEU C C 5 177.406 175.808 1.598 1 1 45 . 13 1 1 A 7 7 LEU CA C 5 55.766 53.351 2.415 1 1 46 . 13 1 1 A 7 7 LEU CB C 5 43.132 43.498 -0.366 1 1 48 . 13 1 1 A 7 7 LEU N N 5 124.704 124.437 0.267 1 1 49 . 13 1 1 A 8 8 SER H H 6 8.148 8.950 -0.802 1 1 50 . 13 1 1 A 8 8 SER HA H 6 4.438 4.249 0.189 1 1 53 . 13 1 1 A 8 8 SER C C 6 174.321 175.473 -1.152 1 1 54 . 13 1 1 A 8 8 SER CA C 6 58.718 60.249 -1.531 1 1 55 . 13 1 1 A 8 8 SER CB C 6 64.295 63.078 1.217 1 1 56 . 13 1 1 A 8 8 SER N N 6 115.960 118.234 -2.274 1 1 57 . 13 1 1 A 9 9 TYR H H 7 7.915 8.186 -0.271 1 1 58 . 13 1 1 A 9 9 TYR HA H 7 4.585 4.815 -0.230 1 1 65 . 13 1 1 A 9 9 TYR C C 7 175.532 175.845 -0.313 1 1 66 . 13 1 1 A 9 9 TYR CA C 7 58.335 57.178 1.157 1 1 67 . 13 1 1 A 9 9 TYR CB C 7 39.474 38.861 0.613 1 1 70 . 13 1 1 A 9 9 TYR N N 7 121.884 118.011 3.873 1 1 71 . 13 1 1 A 10 10 ARG H H 8 8.117 7.753 0.364 1 1 72 . 13 1 1 A 10 10 ARG HA H 8 4.337 4.320 0.017 1 1 79 . 13 1 1 A 10 10 ARG C C 8 175.898 175.828 0.070 1 1 80 . 13 1 1 A 10 10 ARG CA C 8 56.048 56.759 -0.711 1 1 81 . 13 1 1 A 10 10 ARG CB C 8 31.492 30.645 0.847 1 1 84 . 13 1 1 A 10 10 ARG N N 8 121.977 120.587 1.390 1 1 85 . 13 1 1 A 11 11 CYS H H 9 8.127 8.641 -0.514 1 1 86 . 13 1 1 A 11 11 CYS HA H 9 4.984 5.030 -0.046 1 1 89 . 13 1 1 A 11 11 CYS C C 9 177.771 173.711 4.060 1 1 90 . 13 1 1 A 11 11 CYS CA C 9 53.192 54.552 -1.360 1 1 91 . 13 1 1 A 11 11 CYS CB C 9 40.897 43.520 -2.623 1 1 92 . 13 1 1 A 11 11 CYS N N 9 121.209 121.962 -0.753 1 1 93 . 13 1 1 A 12 12 PRO HA H 10 4.321 4.383 -0.062 1 1 100 . 13 1 1 A 12 12 PRO CA C 10 65.478 65.605 -0.127 1 1 101 . 13 1 1 A 12 12 PRO CB C 10 32.904 31.335 1.569 1 1 104 . 13 1 1 A 13 13 CYS H H 11 8.633 8.293 0.340 1 1 105 . 13 1 1 A 13 13 CYS C C 11 174.618 173.816 0.802 1 1 106 . 13 1 1 A 13 13 CYS N N 11 114.595 114.926 -0.331 1 1 107 . 13 1 1 A 14 14 ARG H H 12 8.236 8.982 -0.746 1 1 108 . 13 1 1 A 14 14 ARG HA H 12 4.067 4.174 -0.107 1 1 115 . 13 1 1 A 14 14 ARG C C 12 175.098 175.473 -0.375 1 1 116 . 13 1 1 A 14 14 ARG CA C 12 57.370 57.925 -0.555 1 1 117 . 13 1 1 A 14 14 ARG CB C 12 31.631 30.911 0.720 1 1 120 . 13 1 1 A 14 14 ARG N N 12 122.779 127.494 -4.715 1 1 121 . 13 1 1 A 15 15 PHE H H 13 7.571 7.986 -0.415 1 1 122 . 13 1 1 A 15 15 PHE HA H 13 4.510 4.966 -0.456 1 1 129 . 13 1 1 A 15 15 PHE C C 13 174.162 175.210 -1.048 1 1 130 . 13 1 1 A 15 15 PHE CA C 13 56.289 56.252 0.037 1 1 131 . 13 1 1 A 15 15 PHE CB C 13 41.320 41.333 -0.013 1 1 134 . 13 1 1 A 15 15 PHE N N 13 116.797 116.594 0.203 1 1 135 . 13 1 1 A 16 16 PHE H H 14 8.084 8.506 -0.422 1 1 136 . 13 1 1 A 16 16 PHE HA H 14 4.767 5.609 -0.842 1 1 143 . 13 1 1 A 16 16 PHE C C 14 175.441 174.040 1.401 1 1 144 . 13 1 1 A 16 16 PHE CA C 14 55.767 55.200 0.567 1 1 145 . 13 1 1 A 16 16 PHE CB C 14 41.320 42.623 -1.303 1 1 148 . 13 1 1 A 16 16 PHE N N 14 118.930 119.528 -0.598 1 1 149 . 13 1 1 A 17 17 GLU H H 15 8.815 9.498 -0.683 1 1 150 . 13 1 1 A 17 17 GLU HA H 15 4.579 4.460 0.119 1 1 155 . 13 1 1 A 17 17 GLU C C 15 176.857 176.055 0.802 1 1 156 . 13 1 1 A 17 17 GLU CA C 15 56.289 57.208 -0.919 1 1 157 . 13 1 1 A 17 17 GLU CB C 15 31.173 30.519 0.654 1 1 159 . 13 1 1 A 17 17 GLU N N 15 122.929 121.536 1.393 1 1 160 . 13 1 1 A 18 18 SER H H 16 8.751 8.884 -0.133 1 1 161 . 13 1 1 A 18 18 SER HA H 16 4.762 4.862 -0.100 1 1 164 . 13 1 1 A 18 18 SER C C 16 177.497 174.205 3.292 1 1 165 . 13 1 1 A 18 18 SER CA C 16 59.328 59.973 -0.645 1 1 166 . 13 1 1 A 18 18 SER CB C 16 64.515 65.716 -1.201 1 1 167 . 13 1 1 A 18 18 SER N N 16 118.860 117.509 1.351 1 1 168 . 13 1 1 A 19 19 HIS H H 17 8.761 8.410 0.351 1 1 169 . 13 1 1 A 19 19 HIS HA H 17 4.832 4.793 0.039 1 1 174 . 13 1 1 A 19 19 HIS C C 17 174.618 174.008 0.610 1 1 175 . 13 1 1 A 19 19 HIS CA C 17 56.449 55.284 1.165 1 1 176 . 13 1 1 A 19 19 HIS CB C 17 30.214 28.543 1.671 1 1 179 . 13 1 1 A 19 19 HIS N N 17 120.535 118.142 2.393 1 1 180 . 13 1 1 A 20 20 VAL H H 18 7.085 8.360 -1.275 1 1 181 . 13 1 1 A 20 20 VAL HA H 18 4.160 4.690 -0.530 1 1 189 . 13 1 1 A 20 20 VAL C C 18 174.436 173.582 0.854 1 1 190 . 13 1 1 A 20 20 VAL CA C 18 62.167 60.407 1.760 1 1 191 . 13 1 1 A 20 20 VAL CB C 18 34.426 35.905 -1.479 1 1 193 . 13 1 1 A 20 20 VAL N N 18 120.872 122.972 -2.100 1 1 194 . 13 1 1 A 21 21 ALA H H 19 8.521 8.378 0.143 1 1 195 . 13 1 1 A 21 21 ALA HA H 19 4.367 4.342 0.025 1 1 199 . 13 1 1 A 21 21 ALA C C 19 177.657 178.090 -0.433 1 1 200 . 13 1 1 A 21 21 ALA CA C 19 51.193 50.502 0.691 1 1 201 . 13 1 1 A 21 21 ALA CB C 19 19.790 19.887 -0.097 1 1 202 . 13 1 1 A 21 21 ALA N N 19 131.339 128.753 2.586 1 1 203 . 13 1 1 A 22 22 ARG H H 20 7.790 8.173 -0.383 1 1 204 . 13 1 1 A 22 22 ARG HA H 20 2.451 3.389 -0.938 1 1 211 . 13 1 1 A 22 22 ARG C C 20 178.365 176.768 1.597 1 1 212 . 13 1 1 A 22 22 ARG CA C 20 59.379 57.721 1.658 1 1 213 . 13 1 1 A 22 22 ARG CB C 20 29.572 29.387 0.185 1 1 216 . 13 1 1 A 22 22 ARG N N 20 124.365 122.928 1.437 1 1 217 . 13 1 1 A 23 23 ALA H H 21 8.120 7.438 0.682 1 1 218 . 13 1 1 A 23 23 ALA HA H 21 4.060 4.139 -0.079 1 1 222 . 13 1 1 A 23 23 ALA C C 21 178.000 177.803 0.197 1 1 223 . 13 1 1 A 23 23 ALA CA C 21 54.100 53.219 0.881 1 1 224 . 13 1 1 A 23 23 ALA CB C 21 18.713 18.698 0.015 1 1 225 . 13 1 1 A 23 23 ALA N N 21 117.156 121.495 -4.339 1 1 226 . 13 1 1 A 24 24 ASN H H 22 7.707 7.959 -0.252 1 1 227 . 13 1 1 A 24 24 ASN HA H 22 5.010 4.781 0.229 1 1 232 . 13 1 1 A 24 24 ASN C C 22 174.938 174.776 0.162 1 1 233 . 13 1 1 A 24 24 ASN CA C 22 52.869 52.834 0.035 1 1 234 . 13 1 1 A 24 24 ASN CB C 22 40.573 39.425 1.148 1 1 235 . 13 1 1 A 24 24 ASN N N 22 112.819 115.120 -2.301 1 1 237 . 13 1 1 A 25 25 VAL H H 23 7.489 6.914 0.575 1 1 238 . 13 1 1 A 25 25 VAL HA H 23 4.888 4.252 0.636 1 1 246 . 13 1 1 A 25 25 VAL C C 23 175.829 175.199 0.630 1 1 247 . 13 1 1 A 25 25 VAL CA C 23 59.870 60.267 -0.397 1 1 248 . 13 1 1 A 25 25 VAL CB C 23 35.396 33.492 1.904 1 1 251 . 13 1 1 A 25 25 VAL N N 23 119.721 117.466 2.255 1 1 252 . 13 1 1 A 26 26 LYS H H 24 9.480 9.664 -0.184 1 1 253 . 13 1 1 A 26 26 LYS HA H 24 4.353 4.493 -0.140 1 1 262 . 13 1 1 A 26 26 LYS C C 24 176.606 176.478 0.128 1 1 263 . 13 1 1 A 26 26 LYS CA C 24 58.977 57.023 1.954 1 1 264 . 13 1 1 A 26 26 LYS CB C 24 34.567 33.767 0.800 1 1 268 . 13 1 1 A 26 26 LYS N N 24 127.843 121.443 6.400 1 1 269 . 13 1 1 A 27 27 HIS H H 25 7.237 7.697 -0.460 1 1 270 . 13 1 1 A 27 27 HIS HA H 25 4.979 5.021 -0.042 1 1 275 . 13 1 1 A 27 27 HIS C C 25 178.434 172.617 5.817 1 1 276 . 13 1 1 A 27 27 HIS CA C 25 55.406 54.554 0.852 1 1 277 . 13 1 1 A 27 27 HIS CB C 25 32.480 31.592 0.888 1 1 280 . 13 1 1 A 27 27 HIS N N 25 109.556 114.206 -4.650 1 1 281 . 13 1 1 A 28 28 LEU H H 26 8.189 8.847 -0.658 1 1 282 . 13 1 1 A 28 28 LEU HA H 26 5.190 5.154 0.036 1 1 292 . 13 1 1 A 28 28 LEU C C 26 175.510 175.296 0.214 1 1 293 . 13 1 1 A 28 28 LEU CA C 26 53.480 53.415 0.065 1 1 294 . 13 1 1 A 28 28 LEU CB C 26 45.235 45.255 -0.020 1 1 298 . 13 1 1 A 28 28 LEU N N 26 117.260 119.967 -2.707 1 1 299 . 13 1 1 A 29 29 LYS H H 27 9.572 9.257 0.315 1 1 300 . 13 1 1 A 29 29 LYS HA H 27 5.372 5.224 0.148 1 1 309 . 13 1 1 A 29 29 LYS C C 27 174.801 174.609 0.192 1 1 310 . 13 1 1 A 29 29 LYS CA C 27 55.165 54.721 0.444 1 1 311 . 13 1 1 A 29 29 LYS CB C 27 35.253 35.755 -0.502 1 1 315 . 13 1 1 A 29 29 LYS N N 27 123.488 125.569 -2.081 1 1 316 . 13 1 1 A 30 30 ILE H H 28 9.136 8.991 0.145 1 1 317 . 13 1 1 A 30 30 ILE HA H 28 4.924 5.245 -0.321 1 1 327 . 13 1 1 A 30 30 ILE C C 28 176.949 174.641 2.308 1 1 328 . 13 1 1 A 30 30 ILE CA C 28 60.542 59.456 1.086 1 1 329 . 13 1 1 A 30 30 ILE CB C 28 39.600 38.580 1.020 1 1 333 . 13 1 1 A 30 30 ILE N N 28 123.846 127.452 -3.606 1 1 334 . 13 1 1 A 31 31 LEU H H 29 8.805 9.837 -1.032 1 1 335 . 13 1 1 A 31 31 LEU HA H 29 4.535 4.849 -0.314 1 1 344 . 13 1 1 A 31 31 LEU C C 29 176.012 174.730 1.282 1 1 345 . 13 1 1 A 31 31 LEU CA C 29 55.366 53.935 1.431 1 1 346 . 13 1 1 A 31 31 LEU CB C 29 43.180 41.977 1.203 1 1 349 . 13 1 1 A 31 31 LEU N N 29 128.649 128.919 -0.270 1 1 350 . 13 1 1 A 32 32 ASN H H 30 8.216 9.011 -0.795 1 1 351 . 13 1 1 A 32 32 ASN HA H 30 5.005 4.968 0.037 1 1 356 . 13 1 1 A 32 32 ASN C C 30 174.664 174.706 -0.042 1 1 357 . 13 1 1 A 32 32 ASN CA C 30 52.517 51.903 0.614 1 1 358 . 13 1 1 A 32 32 ASN CB C 30 38.776 39.242 -0.466 1 1 359 . 13 1 1 A 32 32 ASN N N 30 120.791 124.431 -3.640 1 1 361 . 13 1 1 A 33 33 THR H H 31 7.883 8.900 -1.017 1 1 362 . 13 1 1 A 33 33 THR HA H 31 4.842 4.916 -0.074 1 1 367 . 13 1 1 A 33 33 THR CA C 31 58.369 59.820 -1.451 1 1 368 . 13 1 1 A 33 33 THR CB C 31 70.018 69.073 0.945 1 1 370 . 13 1 1 A 33 33 THR N N 31 115.811 117.035 -1.224 1 1 371 . 13 1 1 A 34 34 PRO HA H 32 4.317 4.524 -0.207 1 1 378 . 13 1 1 A 34 34 PRO CA C 32 65.164 63.904 1.260 1 1 379 . 13 1 1 A 34 34 PRO CB C 32 32.484 32.054 0.430 1 1 382 . 13 1 1 A 35 35 ASN H H 33 8.259 8.520 -0.261 1 1 383 . 13 1 1 A 35 35 ASN HA H 33 4.651 5.063 -0.412 1 1 388 . 13 1 1 A 35 35 ASN C C 33 174.710 174.138 0.572 1 1 389 . 13 1 1 A 35 35 ASN CA C 33 54.532 54.112 0.420 1 1 390 . 13 1 1 A 35 35 ASN CB C 33 39.167 41.693 -2.526 1 1 391 . 13 1 1 A 35 35 ASN N N 33 120.081 117.502 2.579 1 1 393 . 13 1 1 A 36 36 CYS H H 34 7.569 7.795 -0.226 1 1 394 . 13 1 1 A 36 36 CYS HA H 34 4.675 4.938 -0.263 1 1 397 . 13 1 1 A 36 36 CYS C C 34 173.865 173.547 0.318 1 1 398 . 13 1 1 A 36 36 CYS CA C 34 55.447 54.752 0.695 1 1 399 . 13 1 1 A 36 36 CYS CB C 34 45.228 47.075 -1.847 1 1 400 . 13 1 1 A 36 36 CYS N N 34 117.076 116.224 0.852 1 1 401 . 13 1 1 A 37 37 ALA H H 35 8.472 8.497 -0.025 1 1 402 . 13 1 1 A 37 37 ALA HA H 35 4.223 4.233 -0.010 1 1 406 . 13 1 1 A 37 37 ALA C C 35 176.423 177.300 -0.877 1 1 407 . 13 1 1 A 37 37 ALA CA C 35 53.537 52.236 1.301 1 1 408 . 13 1 1 A 37 37 ALA CB C 35 19.202 19.773 -0.571 1 1 409 . 13 1 1 A 37 37 ALA N N 35 125.153 125.104 0.049 1 1 410 . 13 1 1 A 38 38 CYS H H 36 8.316 8.503 -0.187 1 1 411 . 13 1 1 A 38 38 CYS HA H 36 4.196 4.585 -0.389 1 1 414 . 13 1 1 A 38 38 CYS C C 36 173.705 174.115 -0.410 1 1 415 . 13 1 1 A 38 38 CYS CA C 36 58.616 57.495 1.121 1 1 416 . 13 1 1 A 38 38 CYS CB C 36 45.705 26.285 19.420 1 1 417 . 13 1 1 A 38 38 CYS N N 36 118.837 119.244 -0.407 1 1 418 . 13 1 1 A 39 39 GLN H H 37 8.928 8.021 0.907 1 1 419 . 13 1 1 A 39 39 GLN HA H 37 4.596 4.313 0.283 1 1 426 . 13 1 1 A 39 39 GLN C C 37 173.636 175.551 -1.915 1 1 427 . 13 1 1 A 39 39 GLN CA C 37 54.603 56.396 -1.793 1 1 428 . 13 1 1 A 39 39 GLN CB C 37 31.761 29.212 2.549 1 1 430 . 13 1 1 A 39 39 GLN N N 37 128.567 123.871 4.696 1 1 432 . 13 1 1 A 40 40 ILE H H 38 8.851 8.375 0.476 1 1 433 . 13 1 1 A 40 40 ILE HA H 38 5.087 5.069 0.018 1 1 443 . 13 1 1 A 40 40 ILE C C 38 174.390 175.163 -0.773 1 1 444 . 13 1 1 A 40 40 ILE CA C 38 60.582 60.168 0.414 1 1 445 . 13 1 1 A 40 40 ILE CB C 38 40.048 38.828 1.220 1 1 449 . 13 1 1 A 40 40 ILE N N 38 123.962 126.317 -2.355 1 1 450 . 13 1 1 A 41 41 VAL H H 39 9.090 9.533 -0.443 1 1 451 . 13 1 1 A 41 41 VAL HA H 39 4.822 4.933 -0.111 1 1 459 . 13 1 1 A 41 41 VAL C C 39 175.487 174.635 0.852 1 1 460 . 13 1 1 A 41 41 VAL CA C 39 59.980 61.087 -1.107 1 1 461 . 13 1 1 A 41 41 VAL CB C 39 35.868 34.117 1.751 1 1 464 . 13 1 1 A 41 41 VAL N N 39 126.354 128.437 -2.083 1 1 465 . 13 1 1 A 42 42 ALA H H 40 9.513 9.552 -0.039 1 1 466 . 13 1 1 A 42 42 ALA HA H 40 5.137 5.322 -0.185 1 1 470 . 13 1 1 A 42 42 ALA C C 40 175.944 175.672 0.272 1 1 471 . 13 1 1 A 42 42 ALA CA C 40 50.591 50.179 0.412 1 1 472 . 13 1 1 A 42 42 ALA CB C 40 22.432 23.151 -0.719 1 1 473 . 13 1 1 A 42 42 ALA N N 40 128.406 129.196 -0.790 1 1 474 . 13 1 1 A 43 43 ARG H H 41 7.720 8.235 -0.515 1 1 475 . 13 1 1 A 43 43 ARG HA H 41 4.959 4.623 0.336 1 1 482 . 13 1 1 A 43 43 ARG C C 41 175.510 175.836 -0.326 1 1 483 . 13 1 1 A 43 43 ARG CA C 41 54.162 55.427 -1.265 1 1 484 . 13 1 1 A 43 43 ARG CB C 41 31.200 31.312 -0.112 1 1 487 . 13 1 1 A 43 43 ARG N N 41 121.795 121.038 0.757 1 1 488 . 13 1 1 A 44 44 LEU H H 42 9.164 8.545 0.619 1 1 489 . 13 1 1 A 44 44 LEU HA H 42 5.021 4.428 0.593 1 1 499 . 13 1 1 A 44 44 LEU C C 42 177.840 177.507 0.333 1 1 500 . 13 1 1 A 44 44 LEU CA C 42 54.724 54.474 0.250 1 1 501 . 13 1 1 A 44 44 LEU CB C 42 41.712 42.131 -0.419 1 1 505 . 13 1 1 A 44 44 LEU N N 42 129.087 124.679 4.408 1 1 506 . 13 1 1 A 45 45 LYS H H 43 8.396 9.095 -0.699 1 1 507 . 13 1 1 A 45 45 LYS HA H 43 3.950 4.037 -0.087 1 1 516 . 13 1 1 A 45 45 LYS CA C 43 59.016 56.459 2.557 1 1 517 . 13 1 1 A 45 45 LYS CB C 43 34.102 33.097 1.005 1 1 520 . 13 1 1 A 45 45 LYS N N 43 119.674 121.343 -1.669 1 1 521 . 13 1 1 A 48 48 ASN HA H 46 4.709 4.843 -0.134 1 1 526 . 13 1 1 A 48 48 ASN C C 46 175.098 174.980 0.118 1 1 527 . 13 1 1 A 48 48 ASN CA C 46 54.764 53.080 1.684 1 1 528 . 13 1 1 A 48 48 ASN CB C 46 39.265 39.429 -0.164 1 1 530 . 13 1 1 A 49 49 ARG H H 47 7.923 8.388 -0.465 1 1 531 . 13 1 1 A 49 49 ARG HA H 47 4.368 4.457 -0.089 1 1 538 . 13 1 1 A 49 49 ARG C C 47 175.601 175.931 -0.330 1 1 539 . 13 1 1 A 49 49 ARG CA C 47 57.051 54.903 2.148 1 1 540 . 13 1 1 A 49 49 ARG CB C 47 32.121 31.064 1.057 1 1 543 . 13 1 1 A 49 49 ARG N N 47 119.826 120.750 -0.924 1 1 544 . 13 1 1 A 50 50 GLN H H 48 8.547 8.281 0.266 1 1 545 . 13 1 1 A 50 50 GLN HA H 48 5.441 4.852 0.589 1 1 552 . 13 1 1 A 50 50 GLN C C 48 175.578 175.468 0.110 1 1 553 . 13 1 1 A 50 50 GLN CA C 48 55.125 54.936 0.189 1 1 554 . 13 1 1 A 50 50 GLN CB C 48 32.121 29.785 2.336 1 1 556 . 13 1 1 A 50 50 GLN N N 48 120.767 117.313 3.454 1 1 558 . 13 1 1 A 51 51 VAL H H 49 8.630 9.453 -0.823 1 1 559 . 13 1 1 A 51 51 VAL HA H 49 4.826 4.897 -0.071 1 1 567 . 13 1 1 A 51 51 VAL C C 49 175.258 174.410 0.848 1 1 568 . 13 1 1 A 51 51 VAL CA C 49 59.338 59.695 -0.357 1 1 569 . 13 1 1 A 51 51 VAL CB C 49 36.155 34.458 1.697 1 1 572 . 13 1 1 A 51 51 VAL N N 49 116.678 117.266 -0.588 1 1 573 . 13 1 1 A 52 52 CYS H H 50 9.095 8.746 0.349 1 1 574 . 13 1 1 A 52 52 CYS HA H 50 5.278 5.380 -0.102 1 1 577 . 13 1 1 A 52 52 CYS C C 50 174.527 173.560 0.967 1 1 578 . 13 1 1 A 52 52 CYS CA C 50 58.054 54.436 3.618 1 1 579 . 13 1 1 A 52 52 CYS CB C 50 43.162 43.992 -0.830 1 1 580 . 13 1 1 A 52 52 CYS N N 50 124.549 119.794 4.755 1 1 581 . 13 1 1 A 53 53 ILE H H 51 8.485 9.685 -1.200 1 1 582 . 13 1 1 A 53 53 ILE HA H 51 4.973 5.148 -0.175 1 1 592 . 13 1 1 A 53 53 ILE C C 51 173.019 174.251 -1.232 1 1 593 . 13 1 1 A 53 53 ILE CA C 51 58.897 58.735 0.162 1 1 594 . 13 1 1 A 53 53 ILE CB C 51 42.201 41.237 0.964 1 1 598 . 13 1 1 A 53 53 ILE N N 51 122.581 120.206 2.375 1 1 599 . 13 1 1 A 54 54 ASP H H 52 7.661 8.023 -0.362 1 1 600 . 13 1 1 A 54 54 ASP HA H 52 3.611 4.092 -0.481 1 1 603 . 13 1 1 A 54 54 ASP CA C 52 51.574 51.491 0.083 1 1 604 . 13 1 1 A 54 54 ASP CB C 52 42.515 41.779 0.736 1 1 605 . 13 1 1 A 54 54 ASP N N 52 125.772 124.767 1.005 1 1 606 . 13 1 1 A 55 55 PRO HA H 53 4.010 4.271 -0.261 1 1 613 . 13 1 1 A 55 55 PRO C C 53 176.126 176.896 -0.770 1 1 614 . 13 1 1 A 55 55 PRO CA C 53 63.993 64.008 -0.015 1 1 615 . 13 1 1 A 55 55 PRO CB C 53 33.002 31.570 1.432 1 1 618 . 13 1 1 A 56 56 LYS H H 54 7.930 7.771 0.159 1 1 619 . 13 1 1 A 56 56 LYS HA H 54 3.988 4.357 -0.369 1 1 628 . 13 1 1 A 56 56 LYS C C 54 177.931 176.466 1.465 1 1 629 . 13 1 1 A 56 56 LYS CA C 54 56.770 56.137 0.633 1 1 630 . 13 1 1 A 56 56 LYS CB C 54 32.023 33.239 -1.216 1 1 634 . 13 1 1 A 56 56 LYS N N 54 112.924 116.032 -3.108 1 1 635 . 13 1 1 A 57 57 LEU H H 55 7.161 7.114 0.047 1 1 636 . 13 1 1 A 57 57 LEU HA H 55 4.059 4.153 -0.094 1 1 646 . 13 1 1 A 57 57 LEU C C 55 179.416 177.672 1.744 1 1 647 . 13 1 1 A 57 57 LEU CA C 55 56.088 55.106 0.982 1 1 648 . 13 1 1 A 57 57 LEU CB C 55 42.191 41.663 0.528 1 1 652 . 13 1 1 A 57 57 LEU N N 55 120.593 121.369 -0.776 1 1 653 . 13 1 1 A 58 58 LYS H H 56 8.720 8.835 -0.115 1 1 654 . 13 1 1 A 58 58 LYS HA H 56 3.911 3.958 -0.047 1 1 663 . 13 1 1 A 58 58 LYS C C 56 178.937 178.314 0.623 1 1 664 . 13 1 1 A 58 58 LYS CA C 56 60.301 59.528 0.773 1 1 665 . 13 1 1 A 58 58 LYS CB C 56 32.121 32.022 0.099 1 1 669 . 13 1 1 A 58 58 LYS N N 56 125.479 124.301 1.178 1 1 670 . 13 1 1 A 59 59 TRP H H 57 7.811 8.282 -0.471 1 1 671 . 13 1 1 A 59 59 TRP HA H 57 4.664 4.509 0.155 1 1 680 . 13 1 1 A 59 59 TRP C C 57 178.868 179.435 -0.567 1 1 681 . 13 1 1 A 59 59 TRP CA C 57 58.897 59.916 -1.019 1 1 682 . 13 1 1 A 59 59 TRP CB C 57 28.036 28.048 -0.012 1 1 688 . 13 1 1 A 59 59 TRP N N 57 113.433 119.141 -5.708 1 1 690 . 13 1 1 A 60 60 ILE H H 58 6.461 7.418 -0.957 1 1 691 . 13 1 1 A 60 60 ILE HA H 58 3.304 3.314 -0.010 1 1 701 . 13 1 1 A 60 60 ILE C C 58 177.726 177.789 -0.063 1 1 702 . 13 1 1 A 60 60 ILE CA C 58 64.314 64.623 -0.309 1 1 703 . 13 1 1 A 60 60 ILE CB C 58 35.897 36.854 -0.957 1 1 707 . 13 1 1 A 60 60 ILE N N 58 124.379 122.377 2.002 1 1 708 . 13 1 1 A 61 61 GLN H H 59 7.624 8.643 -1.019 1 1 709 . 13 1 1 A 61 61 GLN HA H 59 3.748 3.868 -0.120 1 1 716 . 13 1 1 A 61 61 GLN C C 59 178.434 179.230 -0.796 1 1 717 . 13 1 1 A 61 61 GLN CA C 59 59.379 59.392 -0.013 1 1 718 . 13 1 1 A 61 61 GLN CB C 59 28.272 28.340 -0.068 1 1 720 . 13 1 1 A 61 61 GLN N N 59 119.070 118.873 0.197 1 1 722 . 13 1 1 A 62 62 GLU H H 60 8.064 8.463 -0.399 1 1 723 . 13 1 1 A 62 62 GLU HA H 60 4.083 4.091 -0.008 1 1 728 . 13 1 1 A 62 62 GLU C C 60 179.051 178.786 0.265 1 1 729 . 13 1 1 A 62 62 GLU CA C 60 59.659 59.255 0.404 1 1 730 . 13 1 1 A 62 62 GLU CB C 60 30.457 29.595 0.862 1 1 732 . 13 1 1 A 62 62 GLU N N 60 117.166 120.110 -2.944 1 1 733 . 13 1 1 A 63 63 TYR H H 61 7.924 8.374 -0.450 1 1 734 . 13 1 1 A 63 63 TYR HA H 61 4.254 4.205 0.049 1 1 741 . 13 1 1 A 63 63 TYR C C 61 178.617 177.274 1.343 1 1 742 . 13 1 1 A 63 63 TYR CA C 61 61.184 61.538 -0.354 1 1 743 . 13 1 1 A 63 63 TYR CB C 61 39.461 38.613 0.848 1 1 746 . 13 1 1 A 63 63 TYR N N 61 121.271 122.467 -1.196 1 1 747 . 13 1 1 A 64 64 LEU H H 62 8.260 8.691 -0.431 1 1 748 . 13 1 1 A 64 64 LEU HA H 62 3.954 3.867 0.087 1 1 758 . 13 1 1 A 64 64 LEU C C 62 179.553 179.258 0.295 1 1 759 . 13 1 1 A 64 64 LEU CA C 62 58.014 58.094 -0.080 1 1 760 . 13 1 1 A 64 64 LEU CB C 62 42.191 41.313 0.878 1 1 764 . 13 1 1 A 64 64 LEU N N 62 116.299 120.005 -3.706 1 1 765 . 13 1 1 A 65 65 GLU H H 63 8.454 8.217 0.237 1 1 766 . 13 1 1 A 65 65 GLU HA H 63 3.840 3.931 -0.091 1 1 771 . 13 1 1 A 65 65 GLU C C 63 179.279 179.193 0.086 1 1 772 . 13 1 1 A 65 65 GLU CA C 63 60.301 59.660 0.641 1 1 773 . 13 1 1 A 65 65 GLU CB C 63 29.870 29.196 0.674 1 1 775 . 13 1 1 A 65 65 GLU N N 63 118.616 117.704 0.912 1 1 776 . 13 1 1 A 66 66 LYS H H 64 7.575 8.070 -0.495 1 1 777 . 13 1 1 A 66 66 LYS HA H 64 4.212 4.038 0.174 1 1 786 . 13 1 1 A 66 66 LYS C C 64 178.457 178.375 0.082 1 1 787 . 13 1 1 A 66 66 LYS CA C 64 58.496 59.164 -0.668 1 1 788 . 13 1 1 A 66 66 LYS CB C 64 32.400 31.927 0.473 1 1 792 . 13 1 1 A 66 66 LYS N N 64 117.166 118.360 -1.194 1 1 793 . 13 1 1 A 67 67 CYS H H 65 7.918 8.145 -0.227 1 1 794 . 13 1 1 A 67 67 CYS HA H 65 4.526 4.164 0.362 1 1 797 . 13 1 1 A 67 67 CYS C C 65 174.893 177.456 -2.563 1 1 798 . 13 1 1 A 67 67 CYS CA C 65 56.329 62.158 -5.829 1 1 799 . 13 1 1 A 67 67 CYS CB C 65 45.235 26.339 18.896 1 1 800 . 13 1 1 A 67 67 CYS N N 65 115.330 117.931 -2.601 1 1 801 . 13 1 1 A 68 68 LEU H H 66 7.559 7.872 -0.313 1 1 802 . 13 1 1 A 68 68 LEU HA H 66 4.490 4.029 0.461 1 1 812 . 13 1 1 A 68 68 LEU C C 66 176.812 178.324 -1.512 1 1 813 . 13 1 1 A 68 68 LEU CA C 66 55.366 57.601 -2.235 1 1 814 . 13 1 1 A 68 68 LEU CB C 66 43.278 41.820 1.458 1 1 818 . 13 1 1 A 68 68 LEU N N 66 120.930 123.034 -2.104 1 1 819 . 13 1 1 A 69 69 ASN H H 67 8.265 7.680 0.585 1 1 820 . 13 1 1 A 69 69 ASN HA H 67 4.669 4.453 0.216 1 1 825 . 13 1 1 A 69 69 ASN CA C 67 53.761 55.967 -2.206 1 1 826 . 13 1 1 A 69 69 ASN CB C 67 39.069 38.363 0.706 1 1 827 . 13 1 1 A 69 69 ASN N N 67 120.279 116.143 4.136 1 1 852 . 13 2 2 B 4 4 GLU H H 102 8.329 9.151 -0.822 1 1 853 . 13 2 2 B 4 4 GLU HA H 102 4.282 3.865 0.417 1 1 858 . 13 2 2 B 4 4 GLU C C 102 177.132 176.322 0.810 1 1 859 . 13 2 2 B 4 4 GLU CA C 102 57.410 57.713 -0.303 1 1 861 . 13 2 2 B 4 4 GLU N N 102 121.884 125.589 -3.705 1 1 862 . 13 2 2 B 5 5 GLY H H 103 8.335 8.050 0.285 1 1 863 . 13 2 2 B 5 5 GLY HA2 H 103 3.941 3.931 0.010 1 1 864 . 13 2 2 B 5 5 GLY HA3 H 103 3.941 3.932 0.009 1 1 865 . 13 2 2 B 5 5 GLY C C 103 174.207 174.803 -0.596 1 1 866 . 13 2 2 B 5 5 GLY CA C 103 45.731 46.667 -0.936 1 1 867 . 13 2 2 B 5 5 GLY N N 103 110.055 106.734 3.321 1 1 868 . 13 2 2 B 6 6 ILE H H 104 7.831 8.317 -0.486 1 1 869 . 13 2 2 B 6 6 ILE HA H 104 4.269 3.969 0.300 1 1 879 . 13 2 2 B 6 6 ILE C C 104 176.401 177.146 -0.745 1 1 880 . 13 2 2 B 6 6 ILE CA C 104 61.558 64.206 -2.648 1 1 881 . 13 2 2 B 6 6 ILE CB C 104 39.436 38.547 0.889 1 1 885 . 13 2 2 B 6 6 ILE N N 104 119.606 119.026 0.580 1 1 886 . 13 2 2 B 7 7 SER H H 105 8.324 7.814 0.510 1 1 887 . 13 2 2 B 7 7 SER HA H 105 4.535 4.624 -0.089 1 1 890 . 13 2 2 B 7 7 SER C C 105 174.550 174.756 -0.206 1 1 891 . 13 2 2 B 7 7 SER CA C 105 58.667 59.327 -0.660 1 1 892 . 13 2 2 B 7 7 SER CB C 105 64.072 65.179 -1.107 1 1 893 . 13 2 2 B 7 7 SER N N 105 119.717 112.511 7.206 1 1 937 . 13 2 2 B 11 11 SER H H 109 8.211 8.490 -0.279 1 1 938 . 13 2 2 B 11 11 SER HA H 109 4.507 4.660 -0.153 1 1 941 . 13 2 2 B 11 11 SER C C 109 174.504 173.324 1.180 1 1 942 . 13 2 2 B 11 11 SER CA C 109 58.919 58.124 0.795 1 1 943 . 13 2 2 B 11 11 SER CB C 109 64.198 64.739 -0.541 1 1 944 . 13 2 2 B 11 11 SER N N 109 117.260 118.432 -1.172 1 1 945 . 13 2 2 B 12 12 ASP H H 110 8.323 8.643 -0.320 1 1 946 . 13 2 2 B 12 12 ASP HA H 110 4.620 5.167 -0.547 1 1 949 . 13 2 2 B 12 12 ASP C C 110 176.058 174.764 1.294 1 1 950 . 13 2 2 B 12 12 ASP CA C 110 55.022 52.761 2.261 1 1 951 . 13 2 2 B 12 12 ASP CB C 110 41.825 45.105 -3.280 1 1 952 . 13 2 2 B 12 12 ASP N N 110 122.020 121.600 0.420 1 1 986 . 13 2 2 B 16 16 GLU H H 114 8.378 8.618 -0.240 1 1 987 . 13 2 2 B 16 16 GLU HA H 114 4.268 4.523 -0.255 1 1 992 . 13 2 2 B 16 16 GLU C C 114 176.766 176.552 0.214 1 1 993 . 13 2 2 B 16 16 GLU CA C 114 57.410 55.802 1.608 1 1 994 . 13 2 2 B 16 16 GLU CB C 114 30.620 31.016 -0.396 1 1 996 . 13 2 2 B 16 16 GLU N N 114 123.052 128.039 -4.987 1 1 997 . 13 2 2 B 17 17 GLU H H 115 8.326 8.784 -0.458 1 1 998 . 13 2 2 B 17 17 GLU HA H 115 4.274 4.429 -0.155 1 1 1003 . 13 2 2 B 17 17 GLU C C 115 176.880 178.064 -1.184 1 1 1004 . 13 2 2 B 17 17 GLU CA C 115 57.410 56.396 1.014 1 1 1005 . 13 2 2 B 17 17 GLU CB C 115 30.525 30.557 -0.032 1 1 1007 . 13 2 2 B 17 17 GLU N N 115 121.688 120.274 1.414 1 1 1008 . 13 2 2 B 18 18 MET H H 116 8.309 8.751 -0.442 1 1 1009 . 13 2 2 B 18 18 MET HA H 116 4.473 4.309 0.164 1 1 1014 . 13 2 2 B 18 18 MET C C 116 177.086 176.415 0.671 1 1 1015 . 13 2 2 B 18 18 MET CA C 116 56.279 55.894 0.385 1 1 1016 . 13 2 2 B 18 18 MET CB C 116 33.026 32.842 0.184 1 1 1017 . 13 2 2 B 18 18 MET N N 116 121.270 120.260 1.010 1 1 1018 . 13 2 2 B 19 19 GLY H H 117 8.335 7.736 0.599 1 1 1019 . 13 2 2 B 19 19 GLY HA2 H 117 4.054 4.059 -0.005 1 1 1020 . 13 2 2 B 19 19 GLY HA3 H 117 4.054 4.059 -0.005 1 1 1021 . 13 2 2 B 19 19 GLY C C 117 174.481 173.670 0.811 1 1 1022 . 13 2 2 B 19 19 GLY CA C 117 45.847 44.216 1.631 1 1 1023 . 13 2 2 B 19 19 GLY N N 117 110.055 107.890 2.165 1 1 1024 . 13 2 2 B 20 20 SER H H 118 8.230 8.401 -0.171 1 1 1025 . 13 2 2 B 20 20 SER HA H 118 4.476 4.786 -0.310 1 1 1028 . 13 2 2 B 20 20 SER C C 118 175.327 174.561 0.766 1 1 1029 . 13 2 2 B 20 20 SER CA C 118 58.919 58.018 0.901 1 1 1030 . 13 2 2 B 20 20 SER CB C 118 64.575 63.583 0.992 1 1 1031 . 13 2 2 B 20 20 SER N N 118 115.664 115.845 -0.181 1 1 1032 . 13 2 2 B 21 21 GLY H H 119 8.354 8.190 0.164 1 1 1033 . 13 2 2 B 21 21 GLY HA2 H 119 3.941 3.906 0.035 1 1 1034 . 13 2 2 B 21 21 GLY HA3 H 119 3.941 3.906 0.035 1 1 1035 . 13 2 2 B 21 21 GLY C C 119 174.002 173.355 0.647 1 1 1036 . 13 2 2 B 21 21 GLY CA C 119 45.721 45.833 -0.112 1 1 1037 . 13 2 2 B 21 21 GLY N N 119 110.872 109.651 1.221 1 1 1068 . 13 2 2 B 25 25 SER H H 123 8.155 8.246 -0.091 1 1 1069 . 13 2 2 B 25 25 SER HA H 123 4.391 4.084 0.307 1 1 1072 . 13 2 2 B 25 25 SER C C 123 175.075 172.999 2.076 1 1 1073 . 13 2 2 B 25 25 SER CA C 123 59.347 59.741 -0.394 1 1 1074 . 13 2 2 B 25 25 SER CB C 123 63.879 62.756 1.123 1 1 1075 . 13 2 2 B 25 25 SER N N 123 116.126 114.210 1.916 1 1 1076 . 13 2 2 B 26 26 MET H H 124 8.221 7.705 0.516 1 1 1077 . 13 2 2 B 26 26 MET HA H 124 4.476 4.998 -0.522 1 1 1082 . 13 2 2 B 26 26 MET C C 124 176.355 174.925 1.430 1 1 1083 . 13 2 2 B 26 26 MET CA C 124 56.279 54.677 1.602 1 1 1084 . 13 2 2 B 26 26 MET CB C 124 32.900 35.136 -2.236 1 1 1086 . 13 2 2 B 26 26 MET N N 124 121.210 120.122 1.088 1 1 1087 . 13 2 2 B 27 27 LYS H H 125 8.025 8.890 -0.865 1 1 1088 . 13 2 2 B 27 27 LYS HA H 125 4.312 4.996 -0.684 1 1 1097 . 13 2 2 B 27 27 LYS C C 125 176.355 175.097 1.258 1 1 1098 . 13 2 2 B 27 27 LYS CA C 125 56.656 54.368 2.288 1 1 1099 . 13 2 2 B 27 27 LYS CB C 125 33.529 36.777 -3.248 1 1 1103 . 13 2 2 B 27 27 LYS N N 125 121.457 122.887 -1.430 1 1 1104 . 13 2 2 B 28 28 GLU H H 126 8.222 9.151 -0.929 1 1 1105 . 13 2 2 B 28 28 GLU N N 126 122.740 118.320 4.420 1 1 1106 . 13 2 2 B 29 29 PRO HA H 127 4.355 4.771 -0.416 1 1 1113 . 13 2 2 B 29 29 PRO C C 127 176.812 177.397 -0.585 1 1 1114 . 13 2 2 B 29 29 PRO CA C 127 63.821 62.507 1.314 1 1 1115 . 13 2 2 B 29 29 PRO CB C 127 32.272 31.730 0.542 1 1 1118 . 13 2 2 B 30 30 ALA H H 128 8.267 8.588 -0.321 1 1 1119 . 13 2 2 B 30 30 ALA HA H 128 4.269 4.164 0.105 1 1 1123 . 13 2 2 B 30 30 ALA C C 128 177.589 178.429 -0.840 1 1 1124 . 13 2 2 B 30 30 ALA CA C 128 52.873 53.861 -0.988 1 1 1125 . 13 2 2 B 30 30 ALA CB C 128 19.703 19.575 0.128 1 1 1126 . 13 2 2 B 30 30 ALA N N 128 123.577 125.632 -2.055 1 1 1127 . 13 2 2 B 31 31 PHE H H 129 8.019 8.188 -0.169 1 1 1128 . 13 2 2 B 31 31 PHE HA H 129 4.621 4.476 0.145 1 1 1136 . 13 2 2 B 31 31 PHE C C 129 175.624 174.994 0.630 1 1 1137 . 13 2 2 B 31 31 PHE CA C 129 58.039 59.530 -1.491 1 1 1138 . 13 2 2 B 31 31 PHE CB C 129 40.055 38.760 1.295 1 1 1142 . 13 2 2 B 31 31 PHE N N 129 118.994 116.718 2.276 1 1 1143 . 13 2 2 B 32 32 ARG H H 130 8.029 8.477 -0.448 1 1 1144 . 13 2 2 B 32 32 ARG HA H 130 4.309 4.348 -0.039 1 1 1151 . 13 2 2 B 32 32 ARG C C 130 175.875 175.849 0.026 1 1 1152 . 13 2 2 B 32 32 ARG CA C 130 56.154 56.066 0.088 1 1 1153 . 13 2 2 B 32 32 ARG CB C 130 31.643 31.643 0.000 1 1 1156 . 13 2 2 B 32 32 ARG N N 130 122.929 121.112 1.817 1 1 1157 . 13 2 2 B 33 33 GLU H H 131 8.374 8.290 0.084 1 1 1158 . 13 2 2 B 33 33 GLU HA H 131 4.276 4.327 -0.051 1 1 1163 . 13 2 2 B 33 33 GLU C C 131 176.766 176.295 0.471 1 1 1164 . 13 2 2 B 33 33 GLU CA C 131 57.285 56.969 0.316 1 1 1165 . 13 2 2 B 33 33 GLU CB C 131 30.512 30.154 0.358 1 1 1167 . 13 2 2 B 33 33 GLU N N 131 122.719 121.935 0.784 1 1 1168 . 13 2 2 B 34 34 GLU H H 132 8.509 8.639 -0.130 1 1 1169 . 13 2 2 B 34 34 GLU HA H 132 4.271 4.637 -0.366 1 1 1174 . 13 2 2 B 34 34 GLU C C 132 176.560 175.967 0.593 1 1 1175 . 13 2 2 B 34 34 GLU CA C 132 57.400 55.905 1.495 1 1 1176 . 13 2 2 B 34 34 GLU CB C 132 30.530 30.553 -0.023 1 1 1178 . 13 2 2 B 34 34 GLU N N 132 122.122 125.358 -3.236 1 1 1179 . 13 2 2 B 35 35 ASN H H 133 8.362 9.003 -0.641 1 1 1180 . 13 2 2 B 35 35 ASN HA H 133 4.693 4.882 -0.189 1 1 1183 . 13 2 2 B 35 35 ASN C C 133 175.258 175.510 -0.252 1 1 1184 . 13 2 2 B 35 35 ASN CA C 133 53.765 52.854 0.911 1 1 1185 . 13 2 2 B 35 35 ASN CB C 133 39.562 37.517 2.045 1 1 1186 . 13 2 2 B 35 35 ASN N N 133 119.552 124.008 -4.456 1 1 1187 . 13 2 2 B 36 36 ALA H H 134 8.155 8.113 0.042 1 1 1188 . 13 2 2 B 36 36 ALA HA H 134 4.265 4.644 -0.379 1 1 1192 . 13 2 2 B 36 36 ALA C C 134 177.520 177.501 0.019 1 1 1193 . 13 2 2 B 36 36 ALA CA C 134 52.873 51.899 0.974 1 1 1194 . 13 2 2 B 36 36 ALA CB C 134 19.703 21.021 -1.318 1 1 1195 . 13 2 2 B 36 36 ALA N N 134 124.376 124.803 -0.427 1 1 1196 . 13 2 2 B 37 37 ASN H H 135 8.210 7.814 0.396 1 1 1197 . 13 2 2 B 37 37 ASN HA H 135 4.688 4.853 -0.165 1 1 1200 . 13 2 2 B 37 37 ASN C C 135 175.144 174.259 0.885 1 1 1201 . 13 2 2 B 37 37 ASN CA C 135 53.640 52.632 1.008 1 1 1202 . 13 2 2 B 37 37 ASN CB C 135 39.311 38.449 0.862 1 1 1203 . 13 2 2 B 37 37 ASN N N 135 117.103 118.310 -1.207 1 1 1204 . 13 2 2 B 38 38 PHE H H 136 7.997 8.581 -0.584 1 1 1205 . 13 2 2 B 38 38 PHE HA H 136 4.623 5.362 -0.739 1 1 1212 . 13 2 2 B 38 38 PHE C C 136 175.601 173.693 1.908 1 1 1213 . 13 2 2 B 38 38 PHE CA C 136 58.165 56.174 1.991 1 1 1214 . 13 2 2 B 38 38 PHE CB C 136 39.939 42.302 -2.363 1 1 1217 . 13 2 2 B 38 38 PHE N N 136 120.229 128.450 -8.221 1 1 1218 . 13 2 2 B 39 39 ASN H H 137 8.272 8.392 -0.120 1 1 1219 . 13 2 2 B 39 39 ASN HA H 137 4.702 4.888 -0.186 1 1 1222 . 13 2 2 B 39 39 ASN C C 137 174.047 174.330 -0.283 1 1 1223 . 13 2 2 B 39 39 ASN CA C 137 53.891 50.896 2.995 1 1 1224 . 13 2 2 B 39 39 ASN CB C 137 39.688 39.041 0.647 1 1 1225 . 13 2 2 B 39 39 ASN N N 137 120.594 125.993 -5.399 1 1 3 . 14 1 1 A 4 4 PRO HA H 2 4.510 4.643 -0.133 1 1 10 . 14 1 1 A 4 4 PRO C C 2 177.132 176.707 0.425 1 1 11 . 14 1 1 A 4 4 PRO CA C 2 63.529 62.920 0.609 1 1 12 . 14 1 1 A 4 4 PRO CB C 2 32.476 31.785 0.691 1 1 15 . 14 1 1 A 5 5 VAL H H 3 8.201 8.336 -0.135 1 1 16 . 14 1 1 A 5 5 VAL HA H 3 4.140 4.738 -0.598 1 1 24 . 14 1 1 A 5 5 VAL C C 3 176.423 174.669 1.754 1 1 25 . 14 1 1 A 5 5 VAL CA C 3 62.873 59.500 3.373 1 1 26 . 14 1 1 A 5 5 VAL CB C 3 33.455 33.676 -0.221 1 1 28 . 14 1 1 A 5 5 VAL N N 3 120.488 117.521 2.967 1 1 29 . 14 1 1 A 6 6 SER H H 4 8.276 8.682 -0.406 1 1 30 . 14 1 1 A 6 6 SER HA H 4 4.487 5.278 -0.791 1 1 33 . 14 1 1 A 6 6 SER C C 4 174.687 173.583 1.104 1 1 34 . 14 1 1 A 6 6 SER CA C 4 58.375 57.253 1.122 1 1 35 . 14 1 1 A 6 6 SER CB C 4 64.295 65.465 -1.170 1 1 36 . 14 1 1 A 6 6 SER N N 4 119.000 118.603 0.397 1 1 37 . 14 1 1 A 7 7 LEU H H 5 8.238 8.771 -0.533 1 1 38 . 14 1 1 A 7 7 LEU HA H 5 4.397 4.727 -0.330 1 1 44 . 14 1 1 A 7 7 LEU C C 5 177.406 175.146 2.260 1 1 45 . 14 1 1 A 7 7 LEU CA C 5 55.766 54.044 1.722 1 1 46 . 14 1 1 A 7 7 LEU CB C 5 43.132 43.084 0.048 1 1 48 . 14 1 1 A 7 7 LEU N N 5 124.704 126.665 -1.961 1 1 49 . 14 1 1 A 8 8 SER H H 6 8.148 8.366 -0.218 1 1 50 . 14 1 1 A 8 8 SER HA H 6 4.438 4.685 -0.247 1 1 53 . 14 1 1 A 8 8 SER C C 6 174.321 173.328 0.993 1 1 54 . 14 1 1 A 8 8 SER CA C 6 58.718 57.184 1.534 1 1 55 . 14 1 1 A 8 8 SER CB C 6 64.295 64.657 -0.362 1 1 56 . 14 1 1 A 8 8 SER N N 6 115.960 115.329 0.631 1 1 57 . 14 1 1 A 9 9 TYR H H 7 7.915 8.535 -0.620 1 1 58 . 14 1 1 A 9 9 TYR HA H 7 4.585 4.766 -0.181 1 1 65 . 14 1 1 A 9 9 TYR C C 7 175.532 175.445 0.087 1 1 66 . 14 1 1 A 9 9 TYR CA C 7 58.335 57.140 1.195 1 1 67 . 14 1 1 A 9 9 TYR CB C 7 39.474 37.953 1.521 1 1 70 . 14 1 1 A 9 9 TYR N N 7 121.884 118.275 3.609 1 1 71 . 14 1 1 A 10 10 ARG H H 8 8.117 7.674 0.443 1 1 72 . 14 1 1 A 10 10 ARG HA H 8 4.337 4.649 -0.312 1 1 79 . 14 1 1 A 10 10 ARG C C 8 175.898 175.074 0.824 1 1 80 . 14 1 1 A 10 10 ARG CA C 8 56.048 55.485 0.563 1 1 81 . 14 1 1 A 10 10 ARG CB C 8 31.492 31.195 0.297 1 1 84 . 14 1 1 A 10 10 ARG N N 8 121.977 121.593 0.384 1 1 85 . 14 1 1 A 11 11 CYS H H 9 8.127 8.790 -0.663 1 1 86 . 14 1 1 A 11 11 CYS HA H 9 4.984 4.949 0.035 1 1 89 . 14 1 1 A 11 11 CYS C C 9 177.771 173.799 3.972 1 1 90 . 14 1 1 A 11 11 CYS CA C 9 53.192 54.892 -1.700 1 1 91 . 14 1 1 A 11 11 CYS CB C 9 40.897 42.979 -2.082 1 1 92 . 14 1 1 A 11 11 CYS N N 9 121.209 125.122 -3.913 1 1 93 . 14 1 1 A 12 12 PRO HA H 10 4.321 4.359 -0.038 1 1 100 . 14 1 1 A 12 12 PRO CA C 10 65.478 65.567 -0.089 1 1 101 . 14 1 1 A 12 12 PRO CB C 10 32.904 31.346 1.558 1 1 104 . 14 1 1 A 13 13 CYS H H 11 8.633 8.061 0.572 1 1 105 . 14 1 1 A 13 13 CYS C C 11 174.618 173.622 0.996 1 1 106 . 14 1 1 A 13 13 CYS N N 11 114.595 116.530 -1.935 1 1 107 . 14 1 1 A 14 14 ARG H H 12 8.236 8.996 -0.760 1 1 108 . 14 1 1 A 14 14 ARG HA H 12 4.067 4.207 -0.140 1 1 115 . 14 1 1 A 14 14 ARG C C 12 175.098 174.980 0.118 1 1 116 . 14 1 1 A 14 14 ARG CA C 12 57.370 57.059 0.311 1 1 117 . 14 1 1 A 14 14 ARG CB C 12 31.631 31.399 0.232 1 1 120 . 14 1 1 A 14 14 ARG N N 12 122.779 124.418 -1.639 1 1 121 . 14 1 1 A 15 15 PHE H H 13 7.571 7.681 -0.110 1 1 122 . 14 1 1 A 15 15 PHE HA H 13 4.510 5.070 -0.560 1 1 129 . 14 1 1 A 15 15 PHE C C 13 174.162 174.728 -0.566 1 1 130 . 14 1 1 A 15 15 PHE CA C 13 56.289 55.865 0.424 1 1 131 . 14 1 1 A 15 15 PHE CB C 13 41.320 42.917 -1.597 1 1 134 . 14 1 1 A 15 15 PHE N N 13 116.797 114.843 1.954 1 1 135 . 14 1 1 A 16 16 PHE H H 14 8.084 8.576 -0.492 1 1 136 . 14 1 1 A 16 16 PHE HA H 14 4.767 5.586 -0.819 1 1 143 . 14 1 1 A 16 16 PHE C C 14 175.441 174.119 1.322 1 1 144 . 14 1 1 A 16 16 PHE CA C 14 55.767 55.142 0.625 1 1 145 . 14 1 1 A 16 16 PHE CB C 14 41.320 42.526 -1.206 1 1 148 . 14 1 1 A 16 16 PHE N N 14 118.930 117.824 1.106 1 1 149 . 14 1 1 A 17 17 GLU H H 15 8.815 9.161 -0.346 1 1 150 . 14 1 1 A 17 17 GLU HA H 15 4.579 4.327 0.252 1 1 155 . 14 1 1 A 17 17 GLU C C 15 176.857 176.360 0.497 1 1 156 . 14 1 1 A 17 17 GLU CA C 15 56.289 57.283 -0.994 1 1 157 . 14 1 1 A 17 17 GLU CB C 15 31.173 30.709 0.464 1 1 159 . 14 1 1 A 17 17 GLU N N 15 122.929 122.077 0.852 1 1 160 . 14 1 1 A 18 18 SER H H 16 8.751 8.836 -0.085 1 1 161 . 14 1 1 A 18 18 SER HA H 16 4.762 4.753 0.009 1 1 164 . 14 1 1 A 18 18 SER C C 16 177.497 174.604 2.893 1 1 165 . 14 1 1 A 18 18 SER CA C 16 59.328 58.233 1.095 1 1 166 . 14 1 1 A 18 18 SER CB C 16 64.515 64.892 -0.377 1 1 167 . 14 1 1 A 18 18 SER N N 16 118.860 116.493 2.367 1 1 168 . 14 1 1 A 19 19 HIS H H 17 8.761 7.915 0.846 1 1 169 . 14 1 1 A 19 19 HIS HA H 17 4.832 5.018 -0.186 1 1 174 . 14 1 1 A 19 19 HIS C C 17 174.618 174.674 -0.056 1 1 175 . 14 1 1 A 19 19 HIS CA C 17 56.449 55.723 0.726 1 1 176 . 14 1 1 A 19 19 HIS CB C 17 30.214 30.347 -0.133 1 1 179 . 14 1 1 A 19 19 HIS N N 17 120.535 117.679 2.856 1 1 180 . 14 1 1 A 20 20 VAL H H 18 7.085 7.885 -0.800 1 1 181 . 14 1 1 A 20 20 VAL HA H 18 4.160 4.061 0.099 1 1 189 . 14 1 1 A 20 20 VAL C C 18 174.436 175.719 -1.283 1 1 190 . 14 1 1 A 20 20 VAL CA C 18 62.167 62.359 -0.192 1 1 191 . 14 1 1 A 20 20 VAL CB C 18 34.426 33.205 1.221 1 1 193 . 14 1 1 A 20 20 VAL N N 18 120.872 120.504 0.368 1 1 194 . 14 1 1 A 21 21 ALA H H 19 8.521 8.565 -0.044 1 1 195 . 14 1 1 A 21 21 ALA HA H 19 4.367 4.379 -0.012 1 1 199 . 14 1 1 A 21 21 ALA C C 19 177.657 177.673 -0.016 1 1 200 . 14 1 1 A 21 21 ALA CA C 19 51.193 51.220 -0.027 1 1 201 . 14 1 1 A 21 21 ALA CB C 19 19.790 19.834 -0.044 1 1 202 . 14 1 1 A 21 21 ALA N N 19 131.339 129.431 1.908 1 1 203 . 14 1 1 A 22 22 ARG H H 20 7.790 8.142 -0.352 1 1 204 . 14 1 1 A 22 22 ARG HA H 20 2.451 2.898 -0.447 1 1 211 . 14 1 1 A 22 22 ARG C C 20 178.365 177.040 1.325 1 1 212 . 14 1 1 A 22 22 ARG CA C 20 59.379 57.874 1.505 1 1 213 . 14 1 1 A 22 22 ARG CB C 20 29.572 29.122 0.450 1 1 216 . 14 1 1 A 22 22 ARG N N 20 124.365 124.006 0.359 1 1 217 . 14 1 1 A 23 23 ALA H H 21 8.120 7.400 0.720 1 1 218 . 14 1 1 A 23 23 ALA HA H 21 4.060 4.110 -0.050 1 1 222 . 14 1 1 A 23 23 ALA C C 21 178.000 177.890 0.110 1 1 223 . 14 1 1 A 23 23 ALA CA C 21 54.100 53.194 0.906 1 1 224 . 14 1 1 A 23 23 ALA CB C 21 18.713 18.634 0.079 1 1 225 . 14 1 1 A 23 23 ALA N N 21 117.156 121.165 -4.009 1 1 226 . 14 1 1 A 24 24 ASN H H 22 7.707 8.052 -0.345 1 1 227 . 14 1 1 A 24 24 ASN HA H 22 5.010 4.749 0.261 1 1 232 . 14 1 1 A 24 24 ASN C C 22 174.938 174.762 0.176 1 1 233 . 14 1 1 A 24 24 ASN CA C 22 52.869 52.842 0.027 1 1 234 . 14 1 1 A 24 24 ASN CB C 22 40.573 39.092 1.481 1 1 235 . 14 1 1 A 24 24 ASN N N 22 112.819 115.107 -2.288 1 1 237 . 14 1 1 A 25 25 VAL H H 23 7.489 7.360 0.129 1 1 238 . 14 1 1 A 25 25 VAL HA H 23 4.888 4.306 0.582 1 1 246 . 14 1 1 A 25 25 VAL C C 23 175.829 175.416 0.413 1 1 247 . 14 1 1 A 25 25 VAL CA C 23 59.870 60.321 -0.451 1 1 248 . 14 1 1 A 25 25 VAL CB C 23 35.396 33.500 1.896 1 1 251 . 14 1 1 A 25 25 VAL N N 23 119.721 117.495 2.226 1 1 252 . 14 1 1 A 26 26 LYS H H 24 9.480 9.343 0.137 1 1 253 . 14 1 1 A 26 26 LYS HA H 24 4.353 4.667 -0.314 1 1 262 . 14 1 1 A 26 26 LYS C C 24 176.606 175.964 0.642 1 1 263 . 14 1 1 A 26 26 LYS CA C 24 58.977 56.438 2.539 1 1 264 . 14 1 1 A 26 26 LYS CB C 24 34.567 34.311 0.256 1 1 268 . 14 1 1 A 26 26 LYS N N 24 127.843 120.678 7.165 1 1 269 . 14 1 1 A 27 27 HIS H H 25 7.237 7.573 -0.336 1 1 270 . 14 1 1 A 27 27 HIS HA H 25 4.979 4.928 0.051 1 1 275 . 14 1 1 A 27 27 HIS C C 25 178.434 172.382 6.052 1 1 276 . 14 1 1 A 27 27 HIS CA C 25 55.406 54.604 0.802 1 1 277 . 14 1 1 A 27 27 HIS CB C 25 32.480 31.078 1.402 1 1 280 . 14 1 1 A 27 27 HIS N N 25 109.556 115.557 -6.001 1 1 281 . 14 1 1 A 28 28 LEU H H 26 8.189 8.873 -0.684 1 1 282 . 14 1 1 A 28 28 LEU HA H 26 5.190 5.071 0.119 1 1 292 . 14 1 1 A 28 28 LEU C C 26 175.510 175.142 0.368 1 1 293 . 14 1 1 A 28 28 LEU CA C 26 53.480 53.230 0.250 1 1 294 . 14 1 1 A 28 28 LEU CB C 26 45.235 44.284 0.951 1 1 298 . 14 1 1 A 28 28 LEU N N 26 117.260 119.891 -2.631 1 1 299 . 14 1 1 A 29 29 LYS H H 27 9.572 9.576 -0.004 1 1 300 . 14 1 1 A 29 29 LYS HA H 27 5.372 4.999 0.373 1 1 309 . 14 1 1 A 29 29 LYS C C 27 174.801 174.902 -0.101 1 1 310 . 14 1 1 A 29 29 LYS CA C 27 55.165 54.704 0.461 1 1 311 . 14 1 1 A 29 29 LYS CB C 27 35.253 34.935 0.318 1 1 315 . 14 1 1 A 29 29 LYS N N 27 123.488 125.777 -2.289 1 1 316 . 14 1 1 A 30 30 ILE H H 28 9.136 9.042 0.094 1 1 317 . 14 1 1 A 30 30 ILE HA H 28 4.924 4.906 0.018 1 1 327 . 14 1 1 A 30 30 ILE C C 28 176.949 174.715 2.234 1 1 328 . 14 1 1 A 30 30 ILE CA C 28 60.542 59.166 1.376 1 1 329 . 14 1 1 A 30 30 ILE CB C 28 39.600 38.603 0.997 1 1 333 . 14 1 1 A 30 30 ILE N N 28 123.846 127.620 -3.774 1 1 334 . 14 1 1 A 31 31 LEU H H 29 8.805 9.536 -0.731 1 1 335 . 14 1 1 A 31 31 LEU HA H 29 4.535 4.815 -0.280 1 1 344 . 14 1 1 A 31 31 LEU C C 29 176.012 174.991 1.021 1 1 345 . 14 1 1 A 31 31 LEU CA C 29 55.366 54.146 1.220 1 1 346 . 14 1 1 A 31 31 LEU CB C 29 43.180 42.902 0.278 1 1 349 . 14 1 1 A 31 31 LEU N N 29 128.649 127.756 0.893 1 1 350 . 14 1 1 A 32 32 ASN H H 30 8.216 8.969 -0.753 1 1 351 . 14 1 1 A 32 32 ASN HA H 30 5.005 4.974 0.031 1 1 356 . 14 1 1 A 32 32 ASN C C 30 174.664 174.720 -0.056 1 1 357 . 14 1 1 A 32 32 ASN CA C 30 52.517 52.241 0.276 1 1 358 . 14 1 1 A 32 32 ASN CB C 30 38.776 38.915 -0.139 1 1 359 . 14 1 1 A 32 32 ASN N N 30 120.791 124.014 -3.223 1 1 361 . 14 1 1 A 33 33 THR H H 31 7.883 8.895 -1.012 1 1 362 . 14 1 1 A 33 33 THR HA H 31 4.842 4.920 -0.078 1 1 367 . 14 1 1 A 33 33 THR CA C 31 58.369 60.015 -1.646 1 1 368 . 14 1 1 A 33 33 THR CB C 31 70.018 69.168 0.850 1 1 370 . 14 1 1 A 33 33 THR N N 31 115.811 117.465 -1.654 1 1 371 . 14 1 1 A 34 34 PRO HA H 32 4.317 4.647 -0.330 1 1 378 . 14 1 1 A 34 34 PRO CA C 32 65.164 64.034 1.130 1 1 379 . 14 1 1 A 34 34 PRO CB C 32 32.484 32.389 0.095 1 1 382 . 14 1 1 A 35 35 ASN H H 33 8.259 8.569 -0.310 1 1 383 . 14 1 1 A 35 35 ASN HA H 33 4.651 5.044 -0.393 1 1 388 . 14 1 1 A 35 35 ASN C C 33 174.710 174.017 0.693 1 1 389 . 14 1 1 A 35 35 ASN CA C 33 54.532 54.239 0.293 1 1 390 . 14 1 1 A 35 35 ASN CB C 33 39.167 41.566 -2.399 1 1 391 . 14 1 1 A 35 35 ASN N N 33 120.081 115.745 4.336 1 1 393 . 14 1 1 A 36 36 CYS H H 34 7.569 7.934 -0.365 1 1 394 . 14 1 1 A 36 36 CYS HA H 34 4.675 4.994 -0.319 1 1 397 . 14 1 1 A 36 36 CYS C C 34 173.865 174.096 -0.231 1 1 398 . 14 1 1 A 36 36 CYS CA C 34 55.447 55.110 0.337 1 1 399 . 14 1 1 A 36 36 CYS CB C 34 45.228 45.248 -0.020 1 1 400 . 14 1 1 A 36 36 CYS N N 34 117.076 115.161 1.915 1 1 401 . 14 1 1 A 37 37 ALA H H 35 8.472 8.364 0.108 1 1 402 . 14 1 1 A 37 37 ALA HA H 35 4.223 4.019 0.204 1 1 406 . 14 1 1 A 37 37 ALA C C 35 176.423 177.077 -0.654 1 1 407 . 14 1 1 A 37 37 ALA CA C 35 53.537 55.582 -2.045 1 1 408 . 14 1 1 A 37 37 ALA CB C 35 19.202 19.088 0.114 1 1 409 . 14 1 1 A 37 37 ALA N N 35 125.153 125.249 -0.096 1 1 410 . 14 1 1 A 38 38 CYS H H 36 8.316 7.562 0.754 1 1 411 . 14 1 1 A 38 38 CYS HA H 36 4.196 4.696 -0.500 1 1 414 . 14 1 1 A 38 38 CYS C C 36 173.705 172.296 1.409 1 1 415 . 14 1 1 A 38 38 CYS CA C 36 58.616 58.334 0.282 1 1 416 . 14 1 1 A 38 38 CYS CB C 36 45.705 30.691 15.014 1 1 417 . 14 1 1 A 38 38 CYS N N 36 118.837 113.178 5.659 1 1 418 . 14 1 1 A 39 39 GLN H H 37 8.928 8.629 0.299 1 1 419 . 14 1 1 A 39 39 GLN HA H 37 4.596 4.667 -0.071 1 1 426 . 14 1 1 A 39 39 GLN C C 37 173.636 173.575 0.061 1 1 427 . 14 1 1 A 39 39 GLN CA C 37 54.603 54.896 -0.293 1 1 428 . 14 1 1 A 39 39 GLN CB C 37 31.761 32.231 -0.470 1 1 430 . 14 1 1 A 39 39 GLN N N 37 128.567 124.017 4.550 1 1 432 . 14 1 1 A 40 40 ILE H H 38 8.851 8.790 0.061 1 1 433 . 14 1 1 A 40 40 ILE HA H 38 5.087 5.231 -0.144 1 1 443 . 14 1 1 A 40 40 ILE C C 38 174.390 174.883 -0.493 1 1 444 . 14 1 1 A 40 40 ILE CA C 38 60.582 59.808 0.774 1 1 445 . 14 1 1 A 40 40 ILE CB C 38 40.048 41.162 -1.114 1 1 449 . 14 1 1 A 40 40 ILE N N 38 123.962 126.550 -2.588 1 1 450 . 14 1 1 A 41 41 VAL H H 39 9.090 9.420 -0.330 1 1 451 . 14 1 1 A 41 41 VAL HA H 39 4.822 4.879 -0.057 1 1 459 . 14 1 1 A 41 41 VAL C C 39 175.487 174.747 0.740 1 1 460 . 14 1 1 A 41 41 VAL CA C 39 59.980 60.747 -0.767 1 1 461 . 14 1 1 A 41 41 VAL CB C 39 35.868 34.539 1.329 1 1 464 . 14 1 1 A 41 41 VAL N N 39 126.354 126.845 -0.491 1 1 465 . 14 1 1 A 42 42 ALA H H 40 9.513 9.723 -0.210 1 1 466 . 14 1 1 A 42 42 ALA HA H 40 5.137 5.623 -0.486 1 1 470 . 14 1 1 A 42 42 ALA C C 40 175.944 175.097 0.847 1 1 471 . 14 1 1 A 42 42 ALA CA C 40 50.591 50.018 0.573 1 1 472 . 14 1 1 A 42 42 ALA CB C 40 22.432 22.161 0.271 1 1 473 . 14 1 1 A 42 42 ALA N N 40 128.406 129.460 -1.054 1 1 474 . 14 1 1 A 43 43 ARG H H 41 7.720 8.162 -0.442 1 1 475 . 14 1 1 A 43 43 ARG HA H 41 4.959 4.624 0.335 1 1 482 . 14 1 1 A 43 43 ARG C C 41 175.510 175.530 -0.020 1 1 483 . 14 1 1 A 43 43 ARG CA C 41 54.162 54.788 -0.626 1 1 484 . 14 1 1 A 43 43 ARG CB C 41 31.200 31.267 -0.067 1 1 487 . 14 1 1 A 43 43 ARG N N 41 121.795 122.580 -0.785 1 1 488 . 14 1 1 A 44 44 LEU H H 42 9.164 8.636 0.528 1 1 489 . 14 1 1 A 44 44 LEU HA H 42 5.021 4.364 0.657 1 1 499 . 14 1 1 A 44 44 LEU C C 42 177.840 177.083 0.757 1 1 500 . 14 1 1 A 44 44 LEU CA C 42 54.724 54.694 0.030 1 1 501 . 14 1 1 A 44 44 LEU CB C 42 41.712 42.114 -0.402 1 1 505 . 14 1 1 A 44 44 LEU N N 42 129.087 127.910 1.177 1 1 506 . 14 1 1 A 45 45 LYS H H 43 8.396 8.852 -0.456 1 1 507 . 14 1 1 A 45 45 LYS HA H 43 3.950 4.311 -0.361 1 1 516 . 14 1 1 A 45 45 LYS CA C 43 59.016 55.169 3.847 1 1 517 . 14 1 1 A 45 45 LYS CB C 43 34.102 30.630 3.472 1 1 520 . 14 1 1 A 45 45 LYS N N 43 119.674 122.079 -2.405 1 1 521 . 14 1 1 A 48 48 ASN HA H 46 4.709 5.005 -0.296 1 1 526 . 14 1 1 A 48 48 ASN C C 46 175.098 174.367 0.731 1 1 527 . 14 1 1 A 48 48 ASN CA C 46 54.764 54.541 0.223 1 1 528 . 14 1 1 A 48 48 ASN CB C 46 39.265 41.127 -1.862 1 1 530 . 14 1 1 A 49 49 ARG H H 47 7.923 7.911 0.012 1 1 531 . 14 1 1 A 49 49 ARG HA H 47 4.368 4.682 -0.314 1 1 538 . 14 1 1 A 49 49 ARG C C 47 175.601 174.285 1.316 1 1 539 . 14 1 1 A 49 49 ARG CA C 47 57.051 54.591 2.460 1 1 540 . 14 1 1 A 49 49 ARG CB C 47 32.121 32.296 -0.175 1 1 543 . 14 1 1 A 49 49 ARG N N 47 119.826 115.580 4.246 1 1 544 . 14 1 1 A 50 50 GLN H H 48 8.547 8.457 0.090 1 1 545 . 14 1 1 A 50 50 GLN HA H 48 5.441 4.936 0.505 1 1 552 . 14 1 1 A 50 50 GLN C C 48 175.578 175.407 0.171 1 1 553 . 14 1 1 A 50 50 GLN CA C 48 55.125 55.028 0.097 1 1 554 . 14 1 1 A 50 50 GLN CB C 48 32.121 30.424 1.697 1 1 556 . 14 1 1 A 50 50 GLN N N 48 120.767 118.974 1.793 1 1 558 . 14 1 1 A 51 51 VAL H H 49 8.630 9.015 -0.385 1 1 559 . 14 1 1 A 51 51 VAL HA H 49 4.826 4.917 -0.091 1 1 567 . 14 1 1 A 51 51 VAL C C 49 175.258 174.649 0.609 1 1 568 . 14 1 1 A 51 51 VAL CA C 49 59.338 59.535 -0.197 1 1 569 . 14 1 1 A 51 51 VAL CB C 49 36.155 34.801 1.354 1 1 572 . 14 1 1 A 51 51 VAL N N 49 116.678 117.208 -0.530 1 1 573 . 14 1 1 A 52 52 CYS H H 50 9.095 8.606 0.489 1 1 574 . 14 1 1 A 52 52 CYS HA H 50 5.278 5.401 -0.123 1 1 577 . 14 1 1 A 52 52 CYS C C 50 174.527 173.425 1.102 1 1 578 . 14 1 1 A 52 52 CYS CA C 50 58.054 54.708 3.346 1 1 579 . 14 1 1 A 52 52 CYS CB C 50 43.162 44.391 -1.229 1 1 580 . 14 1 1 A 52 52 CYS N N 50 124.549 119.828 4.721 1 1 581 . 14 1 1 A 53 53 ILE H H 51 8.485 9.212 -0.727 1 1 582 . 14 1 1 A 53 53 ILE HA H 51 4.973 5.113 -0.140 1 1 592 . 14 1 1 A 53 53 ILE C C 51 173.019 174.188 -1.169 1 1 593 . 14 1 1 A 53 53 ILE CA C 51 58.897 58.715 0.182 1 1 594 . 14 1 1 A 53 53 ILE CB C 51 42.201 41.502 0.699 1 1 598 . 14 1 1 A 53 53 ILE N N 51 122.581 117.838 4.743 1 1 599 . 14 1 1 A 54 54 ASP H H 52 7.661 8.327 -0.666 1 1 600 . 14 1 1 A 54 54 ASP HA H 52 3.611 4.107 -0.496 1 1 603 . 14 1 1 A 54 54 ASP CA C 52 51.574 51.662 -0.088 1 1 604 . 14 1 1 A 54 54 ASP CB C 52 42.515 42.005 0.510 1 1 605 . 14 1 1 A 54 54 ASP N N 52 125.772 124.886 0.886 1 1 606 . 14 1 1 A 55 55 PRO HA H 53 4.010 4.264 -0.254 1 1 613 . 14 1 1 A 55 55 PRO C C 53 176.126 176.684 -0.558 1 1 614 . 14 1 1 A 55 55 PRO CA C 53 63.993 64.046 -0.053 1 1 615 . 14 1 1 A 55 55 PRO CB C 53 33.002 31.673 1.329 1 1 618 . 14 1 1 A 56 56 LYS H H 54 7.930 8.330 -0.400 1 1 619 . 14 1 1 A 56 56 LYS HA H 54 3.988 4.394 -0.406 1 1 628 . 14 1 1 A 56 56 LYS C C 54 177.931 175.922 2.009 1 1 629 . 14 1 1 A 56 56 LYS CA C 54 56.770 55.873 0.897 1 1 630 . 14 1 1 A 56 56 LYS CB C 54 32.023 32.918 -0.895 1 1 634 . 14 1 1 A 56 56 LYS N N 54 112.924 116.148 -3.224 1 1 635 . 14 1 1 A 57 57 LEU H H 55 7.161 7.306 -0.145 1 1 636 . 14 1 1 A 57 57 LEU HA H 55 4.059 4.044 0.015 1 1 646 . 14 1 1 A 57 57 LEU C C 55 179.416 177.586 1.830 1 1 647 . 14 1 1 A 57 57 LEU CA C 55 56.088 55.891 0.197 1 1 648 . 14 1 1 A 57 57 LEU CB C 55 42.191 43.542 -1.351 1 1 652 . 14 1 1 A 57 57 LEU N N 55 120.593 123.460 -2.867 1 1 653 . 14 1 1 A 58 58 LYS H H 56 8.720 9.038 -0.318 1 1 654 . 14 1 1 A 58 58 LYS HA H 56 3.911 3.871 0.040 1 1 663 . 14 1 1 A 58 58 LYS C C 56 178.937 178.138 0.799 1 1 664 . 14 1 1 A 58 58 LYS CA C 56 60.301 59.909 0.392 1 1 665 . 14 1 1 A 58 58 LYS CB C 56 32.121 32.331 -0.210 1 1 669 . 14 1 1 A 58 58 LYS N N 56 125.479 126.355 -0.876 1 1 670 . 14 1 1 A 59 59 TRP H H 57 7.811 8.379 -0.568 1 1 671 . 14 1 1 A 59 59 TRP HA H 57 4.664 4.530 0.134 1 1 680 . 14 1 1 A 59 59 TRP C C 57 178.868 179.334 -0.466 1 1 681 . 14 1 1 A 59 59 TRP CA C 57 58.897 59.955 -1.058 1 1 682 . 14 1 1 A 59 59 TRP CB C 57 28.036 28.097 -0.061 1 1 688 . 14 1 1 A 59 59 TRP N N 57 113.433 118.934 -5.501 1 1 690 . 14 1 1 A 60 60 ILE H H 58 6.461 7.331 -0.870 1 1 691 . 14 1 1 A 60 60 ILE HA H 58 3.304 3.518 -0.214 1 1 701 . 14 1 1 A 60 60 ILE C C 58 177.726 177.730 -0.004 1 1 702 . 14 1 1 A 60 60 ILE CA C 58 64.314 64.591 -0.277 1 1 703 . 14 1 1 A 60 60 ILE CB C 58 35.897 36.433 -0.536 1 1 707 . 14 1 1 A 60 60 ILE N N 58 124.379 122.539 1.840 1 1 708 . 14 1 1 A 61 61 GLN H H 59 7.624 8.429 -0.805 1 1 709 . 14 1 1 A 61 61 GLN HA H 59 3.748 3.925 -0.177 1 1 716 . 14 1 1 A 61 61 GLN C C 59 178.434 178.776 -0.342 1 1 717 . 14 1 1 A 61 61 GLN CA C 59 59.379 59.477 -0.098 1 1 718 . 14 1 1 A 61 61 GLN CB C 59 28.272 28.320 -0.048 1 1 720 . 14 1 1 A 61 61 GLN N N 59 119.070 119.207 -0.137 1 1 722 . 14 1 1 A 62 62 GLU H H 60 8.064 7.817 0.247 1 1 723 . 14 1 1 A 62 62 GLU HA H 60 4.083 4.098 -0.015 1 1 728 . 14 1 1 A 62 62 GLU C C 60 179.051 178.332 0.719 1 1 729 . 14 1 1 A 62 62 GLU CA C 60 59.659 59.368 0.291 1 1 730 . 14 1 1 A 62 62 GLU CB C 60 30.457 29.560 0.897 1 1 732 . 14 1 1 A 62 62 GLU N N 60 117.166 120.069 -2.903 1 1 733 . 14 1 1 A 63 63 TYR H H 61 7.924 7.986 -0.062 1 1 734 . 14 1 1 A 63 63 TYR HA H 61 4.254 4.273 -0.019 1 1 741 . 14 1 1 A 63 63 TYR C C 61 178.617 177.448 1.169 1 1 742 . 14 1 1 A 63 63 TYR CA C 61 61.184 61.538 -0.354 1 1 743 . 14 1 1 A 63 63 TYR CB C 61 39.461 38.535 0.926 1 1 746 . 14 1 1 A 63 63 TYR N N 61 121.271 122.648 -1.377 1 1 747 . 14 1 1 A 64 64 LEU H H 62 8.260 9.193 -0.933 1 1 748 . 14 1 1 A 64 64 LEU HA H 62 3.954 4.003 -0.049 1 1 758 . 14 1 1 A 64 64 LEU C C 62 179.553 179.049 0.504 1 1 759 . 14 1 1 A 64 64 LEU CA C 62 58.014 58.290 -0.276 1 1 760 . 14 1 1 A 64 64 LEU CB C 62 42.191 41.610 0.581 1 1 764 . 14 1 1 A 64 64 LEU N N 62 116.299 120.187 -3.888 1 1 765 . 14 1 1 A 65 65 GLU H H 63 8.454 8.307 0.147 1 1 766 . 14 1 1 A 65 65 GLU HA H 63 3.840 3.929 -0.089 1 1 771 . 14 1 1 A 65 65 GLU C C 63 179.279 179.282 -0.003 1 1 772 . 14 1 1 A 65 65 GLU CA C 63 60.301 59.874 0.427 1 1 773 . 14 1 1 A 65 65 GLU CB C 63 29.870 29.103 0.767 1 1 775 . 14 1 1 A 65 65 GLU N N 63 118.616 117.849 0.767 1 1 776 . 14 1 1 A 66 66 LYS H H 64 7.575 8.258 -0.683 1 1 777 . 14 1 1 A 66 66 LYS HA H 64 4.212 4.103 0.109 1 1 786 . 14 1 1 A 66 66 LYS C C 64 178.457 178.428 0.029 1 1 787 . 14 1 1 A 66 66 LYS CA C 64 58.496 58.749 -0.253 1 1 788 . 14 1 1 A 66 66 LYS CB C 64 32.400 31.395 1.005 1 1 792 . 14 1 1 A 66 66 LYS N N 64 117.166 118.368 -1.202 1 1 793 . 14 1 1 A 67 67 CYS H H 65 7.918 7.425 0.493 1 1 794 . 14 1 1 A 67 67 CYS HA H 65 4.526 4.238 0.288 1 1 797 . 14 1 1 A 67 67 CYS C C 65 174.893 177.453 -2.560 1 1 798 . 14 1 1 A 67 67 CYS CA C 65 56.329 61.924 -5.595 1 1 799 . 14 1 1 A 67 67 CYS CB C 65 45.235 27.208 18.027 1 1 800 . 14 1 1 A 67 67 CYS N N 65 115.330 119.353 -4.023 1 1 801 . 14 1 1 A 68 68 LEU H H 66 7.559 8.205 -0.646 1 1 802 . 14 1 1 A 68 68 LEU HA H 66 4.490 4.134 0.356 1 1 812 . 14 1 1 A 68 68 LEU C C 66 176.812 177.761 -0.949 1 1 813 . 14 1 1 A 68 68 LEU CA C 66 55.366 58.120 -2.754 1 1 814 . 14 1 1 A 68 68 LEU CB C 66 43.278 41.982 1.296 1 1 818 . 14 1 1 A 68 68 LEU N N 66 120.930 122.420 -1.490 1 1 819 . 14 1 1 A 69 69 ASN H H 67 8.265 8.199 0.066 1 1 820 . 14 1 1 A 69 69 ASN HA H 67 4.669 5.034 -0.365 1 1 825 . 14 1 1 A 69 69 ASN CA C 67 53.761 54.158 -0.397 1 1 826 . 14 1 1 A 69 69 ASN CB C 67 39.069 41.731 -2.662 1 1 827 . 14 1 1 A 69 69 ASN N N 67 120.279 115.752 4.527 1 1 852 . 14 2 2 B 4 4 GLU H H 102 8.329 8.816 -0.487 1 1 853 . 14 2 2 B 4 4 GLU HA H 102 4.282 4.699 -0.417 1 1 858 . 14 2 2 B 4 4 GLU C C 102 177.132 176.485 0.647 1 1 859 . 14 2 2 B 4 4 GLU CA C 102 57.410 55.909 1.501 1 1 861 . 14 2 2 B 4 4 GLU N N 102 121.884 127.695 -5.811 1 1 862 . 14 2 2 B 5 5 GLY H H 103 8.335 8.867 -0.532 1 1 863 . 14 2 2 B 5 5 GLY HA2 H 103 3.941 4.222 -0.281 1 1 864 . 14 2 2 B 5 5 GLY HA3 H 103 3.941 4.222 -0.281 1 1 865 . 14 2 2 B 5 5 GLY C C 103 174.207 172.086 2.121 1 1 866 . 14 2 2 B 5 5 GLY CA C 103 45.731 43.977 1.754 1 1 867 . 14 2 2 B 5 5 GLY N N 103 110.055 112.461 -2.406 1 1 868 . 14 2 2 B 6 6 ILE H H 104 7.831 9.441 -1.610 1 1 869 . 14 2 2 B 6 6 ILE HA H 104 4.269 4.626 -0.357 1 1 879 . 14 2 2 B 6 6 ILE C C 104 176.401 176.073 0.328 1 1 880 . 14 2 2 B 6 6 ILE CA C 104 61.558 59.725 1.833 1 1 881 . 14 2 2 B 6 6 ILE CB C 104 39.436 39.334 0.102 1 1 885 . 14 2 2 B 6 6 ILE N N 104 119.606 124.301 -4.695 1 1 886 . 14 2 2 B 7 7 SER H H 105 8.324 8.309 0.015 1 1 887 . 14 2 2 B 7 7 SER HA H 105 4.535 4.375 0.160 1 1 890 . 14 2 2 B 7 7 SER C C 105 174.550 175.236 -0.686 1 1 891 . 14 2 2 B 7 7 SER CA C 105 58.667 59.879 -1.212 1 1 892 . 14 2 2 B 7 7 SER CB C 105 64.072 62.850 1.222 1 1 893 . 14 2 2 B 7 7 SER N N 105 119.717 119.178 0.539 1 1 937 . 14 2 2 B 11 11 SER H H 109 8.211 8.131 0.080 1 1 938 . 14 2 2 B 11 11 SER HA H 109 4.507 5.077 -0.570 1 1 941 . 14 2 2 B 11 11 SER C C 109 174.504 173.082 1.422 1 1 942 . 14 2 2 B 11 11 SER CA C 109 58.919 57.860 1.059 1 1 943 . 14 2 2 B 11 11 SER CB C 109 64.198 65.246 -1.048 1 1 944 . 14 2 2 B 11 11 SER N N 109 117.260 119.395 -2.135 1 1 945 . 14 2 2 B 12 12 ASP H H 110 8.323 8.896 -0.573 1 1 946 . 14 2 2 B 12 12 ASP HA H 110 4.620 4.964 -0.344 1 1 949 . 14 2 2 B 12 12 ASP C C 110 176.058 174.905 1.153 1 1 950 . 14 2 2 B 12 12 ASP CA C 110 55.022 52.082 2.940 1 1 951 . 14 2 2 B 12 12 ASP CB C 110 41.825 41.694 0.131 1 1 952 . 14 2 2 B 12 12 ASP N N 110 122.020 126.344 -4.324 1 1 986 . 14 2 2 B 16 16 GLU H H 114 8.378 8.639 -0.261 1 1 987 . 14 2 2 B 16 16 GLU HA H 114 4.268 4.373 -0.105 1 1 992 . 14 2 2 B 16 16 GLU C C 114 176.766 175.276 1.490 1 1 993 . 14 2 2 B 16 16 GLU CA C 114 57.410 57.203 0.207 1 1 994 . 14 2 2 B 16 16 GLU CB C 114 30.620 30.181 0.439 1 1 996 . 14 2 2 B 16 16 GLU N N 114 123.052 124.484 -1.432 1 1 997 . 14 2 2 B 17 17 GLU H H 115 8.326 8.658 -0.332 1 1 998 . 14 2 2 B 17 17 GLU HA H 115 4.274 4.955 -0.681 1 1 1003 . 14 2 2 B 17 17 GLU C C 115 176.880 175.177 1.703 1 1 1004 . 14 2 2 B 17 17 GLU CA C 115 57.410 54.328 3.082 1 1 1005 . 14 2 2 B 17 17 GLU CB C 115 30.525 33.800 -3.275 1 1 1007 . 14 2 2 B 17 17 GLU N N 115 121.688 126.363 -4.675 1 1 1008 . 14 2 2 B 18 18 MET H H 116 8.309 8.870 -0.561 1 1 1009 . 14 2 2 B 18 18 MET HA H 116 4.473 4.530 -0.057 1 1 1014 . 14 2 2 B 18 18 MET C C 116 177.086 175.674 1.412 1 1 1015 . 14 2 2 B 18 18 MET CA C 116 56.279 55.163 1.116 1 1 1016 . 14 2 2 B 18 18 MET CB C 116 33.026 33.516 -0.490 1 1 1017 . 14 2 2 B 18 18 MET N N 116 121.270 123.514 -2.244 1 1 1018 . 14 2 2 B 19 19 GLY H H 117 8.335 8.794 -0.459 1 1 1019 . 14 2 2 B 19 19 GLY HA2 H 117 4.054 4.202 -0.148 1 1 1020 . 14 2 2 B 19 19 GLY HA3 H 117 4.054 4.202 -0.148 1 1 1021 . 14 2 2 B 19 19 GLY C C 117 174.481 172.789 1.692 1 1 1022 . 14 2 2 B 19 19 GLY CA C 117 45.847 45.344 0.503 1 1 1023 . 14 2 2 B 19 19 GLY N N 117 110.055 113.250 -3.195 1 1 1024 . 14 2 2 B 20 20 SER H H 118 8.230 8.962 -0.732 1 1 1025 . 14 2 2 B 20 20 SER HA H 118 4.476 4.555 -0.079 1 1 1028 . 14 2 2 B 20 20 SER C C 118 175.327 173.734 1.593 1 1 1029 . 14 2 2 B 20 20 SER CA C 118 58.919 56.433 2.486 1 1 1030 . 14 2 2 B 20 20 SER CB C 118 64.575 64.989 -0.414 1 1 1031 . 14 2 2 B 20 20 SER N N 118 115.664 120.411 -4.747 1 1 1032 . 14 2 2 B 21 21 GLY H H 119 8.354 8.402 -0.048 1 1 1033 . 14 2 2 B 21 21 GLY HA2 H 119 3.941 4.380 -0.439 1 1 1034 . 14 2 2 B 21 21 GLY HA3 H 119 3.941 4.380 -0.439 1 1 1035 . 14 2 2 B 21 21 GLY C C 119 174.002 171.836 2.166 1 1 1036 . 14 2 2 B 21 21 GLY CA C 119 45.721 45.147 0.574 1 1 1037 . 14 2 2 B 21 21 GLY N N 119 110.872 109.948 0.924 1 1 1068 . 14 2 2 B 25 25 SER H H 123 8.155 8.159 -0.004 1 1 1069 . 14 2 2 B 25 25 SER HA H 123 4.391 4.043 0.348 1 1 1072 . 14 2 2 B 25 25 SER C C 123 175.075 173.328 1.747 1 1 1073 . 14 2 2 B 25 25 SER CA C 123 59.347 59.386 -0.039 1 1 1074 . 14 2 2 B 25 25 SER CB C 123 63.879 62.359 1.520 1 1 1075 . 14 2 2 B 25 25 SER N N 123 116.126 114.271 1.855 1 1 1076 . 14 2 2 B 26 26 MET H H 124 8.221 7.804 0.417 1 1 1077 . 14 2 2 B 26 26 MET HA H 124 4.476 4.882 -0.406 1 1 1082 . 14 2 2 B 26 26 MET C C 124 176.355 174.171 2.184 1 1 1083 . 14 2 2 B 26 26 MET CA C 124 56.279 54.792 1.487 1 1 1084 . 14 2 2 B 26 26 MET CB C 124 32.900 34.547 -1.647 1 1 1086 . 14 2 2 B 26 26 MET N N 124 121.210 119.005 2.205 1 1 1087 . 14 2 2 B 27 27 LYS H H 125 8.025 8.633 -0.608 1 1 1088 . 14 2 2 B 27 27 LYS HA H 125 4.312 4.973 -0.661 1 1 1097 . 14 2 2 B 27 27 LYS C C 125 176.355 174.838 1.517 1 1 1098 . 14 2 2 B 27 27 LYS CA C 125 56.656 54.461 2.195 1 1 1099 . 14 2 2 B 27 27 LYS CB C 125 33.529 37.203 -3.674 1 1 1103 . 14 2 2 B 27 27 LYS N N 125 121.457 125.428 -3.971 1 1 1104 . 14 2 2 B 28 28 GLU H H 126 8.222 8.863 -0.641 1 1 1105 . 14 2 2 B 28 28 GLU N N 126 122.740 118.404 4.336 1 1 1106 . 14 2 2 B 29 29 PRO HA H 127 4.355 4.708 -0.353 1 1 1113 . 14 2 2 B 29 29 PRO C C 127 176.812 175.917 0.895 1 1 1114 . 14 2 2 B 29 29 PRO CA C 127 63.821 62.758 1.063 1 1 1115 . 14 2 2 B 29 29 PRO CB C 127 32.272 33.546 -1.274 1 1 1118 . 14 2 2 B 30 30 ALA H H 128 8.267 8.586 -0.319 1 1 1119 . 14 2 2 B 30 30 ALA HA H 128 4.269 4.368 -0.099 1 1 1123 . 14 2 2 B 30 30 ALA C C 128 177.589 178.402 -0.813 1 1 1124 . 14 2 2 B 30 30 ALA CA C 128 52.873 53.672 -0.799 1 1 1125 . 14 2 2 B 30 30 ALA CB C 128 19.703 20.687 -0.984 1 1 1126 . 14 2 2 B 30 30 ALA N N 128 123.577 122.459 1.118 1 1 1127 . 14 2 2 B 31 31 PHE H H 129 8.019 8.271 -0.252 1 1 1128 . 14 2 2 B 31 31 PHE HA H 129 4.621 4.111 0.510 1 1 1136 . 14 2 2 B 31 31 PHE C C 129 175.624 174.112 1.512 1 1 1137 . 14 2 2 B 31 31 PHE CA C 129 58.039 59.017 -0.978 1 1 1138 . 14 2 2 B 31 31 PHE CB C 129 40.055 38.035 2.020 1 1 1142 . 14 2 2 B 31 31 PHE N N 129 118.994 117.465 1.529 1 1 1143 . 14 2 2 B 32 32 ARG H H 130 8.029 7.671 0.358 1 1 1144 . 14 2 2 B 32 32 ARG HA H 130 4.309 4.646 -0.337 1 1 1151 . 14 2 2 B 32 32 ARG C C 130 175.875 174.721 1.154 1 1 1152 . 14 2 2 B 32 32 ARG CA C 130 56.154 54.601 1.553 1 1 1153 . 14 2 2 B 32 32 ARG CB C 130 31.643 32.848 -1.205 1 1 1156 . 14 2 2 B 32 32 ARG N N 130 122.929 119.806 3.123 1 1 1157 . 14 2 2 B 33 33 GLU H H 131 8.374 8.850 -0.476 1 1 1158 . 14 2 2 B 33 33 GLU HA H 131 4.276 4.611 -0.335 1 1 1163 . 14 2 2 B 33 33 GLU C C 131 176.766 175.766 1.000 1 1 1164 . 14 2 2 B 33 33 GLU CA C 131 57.285 56.572 0.713 1 1 1165 . 14 2 2 B 33 33 GLU CB C 131 30.512 30.690 -0.178 1 1 1167 . 14 2 2 B 33 33 GLU N N 131 122.719 125.230 -2.511 1 1 1168 . 14 2 2 B 34 34 GLU H H 132 8.509 9.002 -0.493 1 1 1169 . 14 2 2 B 34 34 GLU HA H 132 4.271 5.029 -0.758 1 1 1174 . 14 2 2 B 34 34 GLU C C 132 176.560 174.286 2.274 1 1 1175 . 14 2 2 B 34 34 GLU CA C 132 57.400 55.231 2.169 1 1 1176 . 14 2 2 B 34 34 GLU CB C 132 30.530 33.535 -3.005 1 1 1178 . 14 2 2 B 34 34 GLU N N 132 122.122 124.013 -1.891 1 1 1179 . 14 2 2 B 35 35 ASN H H 133 8.362 8.985 -0.623 1 1 1180 . 14 2 2 B 35 35 ASN HA H 133 4.693 4.928 -0.235 1 1 1183 . 14 2 2 B 35 35 ASN C C 133 175.258 174.237 1.021 1 1 1184 . 14 2 2 B 35 35 ASN CA C 133 53.765 52.396 1.369 1 1 1185 . 14 2 2 B 35 35 ASN CB C 133 39.562 37.429 2.133 1 1 1186 . 14 2 2 B 35 35 ASN N N 133 119.552 124.030 -4.478 1 1 1187 . 14 2 2 B 36 36 ALA H H 134 8.155 7.858 0.297 1 1 1188 . 14 2 2 B 36 36 ALA HA H 134 4.265 4.881 -0.616 1 1 1192 . 14 2 2 B 36 36 ALA C C 134 177.520 177.506 0.014 1 1 1193 . 14 2 2 B 36 36 ALA CA C 134 52.873 51.146 1.727 1 1 1194 . 14 2 2 B 36 36 ALA CB C 134 19.703 21.682 -1.979 1 1 1195 . 14 2 2 B 36 36 ALA N N 134 124.376 126.434 -2.058 1 1 1196 . 14 2 2 B 37 37 ASN H H 135 8.210 9.059 -0.849 1 1 1197 . 14 2 2 B 37 37 ASN HA H 135 4.688 4.610 0.078 1 1 1200 . 14 2 2 B 37 37 ASN C C 135 175.144 175.451 -0.307 1 1 1201 . 14 2 2 B 37 37 ASN CA C 135 53.640 55.699 -2.059 1 1 1202 . 14 2 2 B 37 37 ASN CB C 135 39.311 39.426 -0.115 1 1 1203 . 14 2 2 B 37 37 ASN N N 135 117.103 121.812 -4.709 1 1 1204 . 14 2 2 B 38 38 PHE H H 136 7.997 8.155 -0.158 1 1 1205 . 14 2 2 B 38 38 PHE HA H 136 4.623 4.234 0.389 1 1 1212 . 14 2 2 B 38 38 PHE C C 136 175.601 174.244 1.357 1 1 1213 . 14 2 2 B 38 38 PHE CA C 136 58.165 58.717 -0.552 1 1 1214 . 14 2 2 B 38 38 PHE CB C 136 39.939 37.517 2.422 1 1 1217 . 14 2 2 B 38 38 PHE N N 136 120.229 117.844 2.385 1 1 1218 . 14 2 2 B 39 39 ASN H H 137 8.272 8.076 0.196 1 1 1219 . 14 2 2 B 39 39 ASN HA H 137 4.702 5.364 -0.662 1 1 1222 . 14 2 2 B 39 39 ASN C C 137 174.047 173.177 0.870 1 1 1223 . 14 2 2 B 39 39 ASN CA C 137 53.891 51.501 2.390 1 1 1224 . 14 2 2 B 39 39 ASN CB C 137 39.688 42.090 -2.402 1 1 1225 . 14 2 2 B 39 39 ASN N N 137 120.594 126.123 -5.529 1 1 3 . 15 1 1 A 4 4 PRO HA H 2 4.510 4.690 -0.180 1 1 10 . 15 1 1 A 4 4 PRO C C 2 177.132 175.304 1.828 1 1 11 . 15 1 1 A 4 4 PRO CA C 2 63.529 62.812 0.717 1 1 12 . 15 1 1 A 4 4 PRO CB C 2 32.476 31.129 1.347 1 1 15 . 15 1 1 A 5 5 VAL H H 3 8.201 8.555 -0.354 1 1 16 . 15 1 1 A 5 5 VAL HA H 3 4.140 4.776 -0.636 1 1 24 . 15 1 1 A 5 5 VAL C C 3 176.423 173.165 3.258 1 1 25 . 15 1 1 A 5 5 VAL CA C 3 62.873 59.972 2.901 1 1 26 . 15 1 1 A 5 5 VAL CB C 3 33.455 35.078 -1.623 1 1 28 . 15 1 1 A 5 5 VAL N N 3 120.488 124.205 -3.717 1 1 29 . 15 1 1 A 6 6 SER H H 4 8.276 8.947 -0.671 1 1 30 . 15 1 1 A 6 6 SER HA H 4 4.487 5.075 -0.588 1 1 33 . 15 1 1 A 6 6 SER C C 4 174.687 173.305 1.382 1 1 34 . 15 1 1 A 6 6 SER CA C 4 58.375 56.340 2.035 1 1 35 . 15 1 1 A 6 6 SER CB C 4 64.295 64.929 -0.634 1 1 36 . 15 1 1 A 6 6 SER N N 4 119.000 124.771 -5.771 1 1 37 . 15 1 1 A 7 7 LEU H H 5 8.238 8.939 -0.701 1 1 38 . 15 1 1 A 7 7 LEU HA H 5 4.397 4.530 -0.133 1 1 44 . 15 1 1 A 7 7 LEU C C 5 177.406 176.628 0.778 1 1 45 . 15 1 1 A 7 7 LEU CA C 5 55.766 54.617 1.149 1 1 46 . 15 1 1 A 7 7 LEU CB C 5 43.132 40.876 2.256 1 1 48 . 15 1 1 A 7 7 LEU N N 5 124.704 128.242 -3.538 1 1 49 . 15 1 1 A 8 8 SER H H 6 8.148 8.475 -0.327 1 1 50 . 15 1 1 A 8 8 SER HA H 6 4.438 4.791 -0.353 1 1 53 . 15 1 1 A 8 8 SER C C 6 174.321 174.143 0.178 1 1 54 . 15 1 1 A 8 8 SER CA C 6 58.718 57.299 1.419 1 1 55 . 15 1 1 A 8 8 SER CB C 6 64.295 64.900 -0.605 1 1 56 . 15 1 1 A 8 8 SER N N 6 115.960 119.445 -3.485 1 1 57 . 15 1 1 A 9 9 TYR H H 7 7.915 8.263 -0.348 1 1 58 . 15 1 1 A 9 9 TYR HA H 7 4.585 4.109 0.476 1 1 65 . 15 1 1 A 9 9 TYR C C 7 175.532 174.143 1.389 1 1 66 . 15 1 1 A 9 9 TYR CA C 7 58.335 59.545 -1.210 1 1 67 . 15 1 1 A 9 9 TYR CB C 7 39.474 36.006 3.468 1 1 70 . 15 1 1 A 9 9 TYR N N 7 121.884 117.377 4.507 1 1 71 . 15 1 1 A 10 10 ARG H H 8 8.117 7.684 0.433 1 1 72 . 15 1 1 A 10 10 ARG HA H 8 4.337 4.645 -0.308 1 1 79 . 15 1 1 A 10 10 ARG C C 8 175.898 175.169 0.729 1 1 80 . 15 1 1 A 10 10 ARG CA C 8 56.048 55.310 0.738 1 1 81 . 15 1 1 A 10 10 ARG CB C 8 31.492 31.839 -0.347 1 1 84 . 15 1 1 A 10 10 ARG N N 8 121.977 119.889 2.088 1 1 85 . 15 1 1 A 11 11 CYS H H 9 8.127 8.516 -0.389 1 1 86 . 15 1 1 A 11 11 CYS HA H 9 4.984 4.939 0.045 1 1 89 . 15 1 1 A 11 11 CYS C C 9 177.771 173.747 4.024 1 1 90 . 15 1 1 A 11 11 CYS CA C 9 53.192 53.222 -0.030 1 1 91 . 15 1 1 A 11 11 CYS CB C 9 40.897 44.270 -3.373 1 1 92 . 15 1 1 A 11 11 CYS N N 9 121.209 124.339 -3.130 1 1 93 . 15 1 1 A 12 12 PRO HA H 10 4.321 4.349 -0.028 1 1 100 . 15 1 1 A 12 12 PRO CA C 10 65.478 65.802 -0.324 1 1 101 . 15 1 1 A 12 12 PRO CB C 10 32.904 31.235 1.669 1 1 104 . 15 1 1 A 13 13 CYS H H 11 8.633 8.118 0.515 1 1 105 . 15 1 1 A 13 13 CYS C C 11 174.618 173.812 0.806 1 1 106 . 15 1 1 A 13 13 CYS N N 11 114.595 115.594 -0.999 1 1 107 . 15 1 1 A 14 14 ARG H H 12 8.236 8.861 -0.625 1 1 108 . 15 1 1 A 14 14 ARG HA H 12 4.067 4.158 -0.091 1 1 115 . 15 1 1 A 14 14 ARG C C 12 175.098 175.745 -0.647 1 1 116 . 15 1 1 A 14 14 ARG CA C 12 57.370 57.935 -0.565 1 1 117 . 15 1 1 A 14 14 ARG CB C 12 31.631 31.134 0.497 1 1 120 . 15 1 1 A 14 14 ARG N N 12 122.779 126.225 -3.446 1 1 121 . 15 1 1 A 15 15 PHE H H 13 7.571 8.036 -0.465 1 1 122 . 15 1 1 A 15 15 PHE HA H 13 4.510 4.754 -0.244 1 1 129 . 15 1 1 A 15 15 PHE C C 13 174.162 175.067 -0.905 1 1 130 . 15 1 1 A 15 15 PHE CA C 13 56.289 56.979 -0.690 1 1 131 . 15 1 1 A 15 15 PHE CB C 13 41.320 41.346 -0.026 1 1 134 . 15 1 1 A 15 15 PHE N N 13 116.797 116.375 0.422 1 1 135 . 15 1 1 A 16 16 PHE H H 14 8.084 8.508 -0.424 1 1 136 . 15 1 1 A 16 16 PHE HA H 14 4.767 5.665 -0.898 1 1 143 . 15 1 1 A 16 16 PHE C C 14 175.441 173.375 2.066 1 1 144 . 15 1 1 A 16 16 PHE CA C 14 55.767 55.202 0.565 1 1 145 . 15 1 1 A 16 16 PHE CB C 14 41.320 42.710 -1.390 1 1 148 . 15 1 1 A 16 16 PHE N N 14 118.930 117.643 1.287 1 1 149 . 15 1 1 A 17 17 GLU H H 15 8.815 9.531 -0.716 1 1 150 . 15 1 1 A 17 17 GLU HA H 15 4.579 4.500 0.079 1 1 155 . 15 1 1 A 17 17 GLU C C 15 176.857 176.232 0.625 1 1 156 . 15 1 1 A 17 17 GLU CA C 15 56.289 56.400 -0.111 1 1 157 . 15 1 1 A 17 17 GLU CB C 15 31.173 30.554 0.619 1 1 159 . 15 1 1 A 17 17 GLU N N 15 122.929 122.315 0.614 1 1 160 . 15 1 1 A 18 18 SER H H 16 8.751 9.117 -0.366 1 1 161 . 15 1 1 A 18 18 SER HA H 16 4.762 4.617 0.145 1 1 164 . 15 1 1 A 18 18 SER C C 16 177.497 173.622 3.875 1 1 165 . 15 1 1 A 18 18 SER CA C 16 59.328 59.607 -0.279 1 1 166 . 15 1 1 A 18 18 SER CB C 16 64.515 64.827 -0.312 1 1 167 . 15 1 1 A 18 18 SER N N 16 118.860 118.784 0.076 1 1 168 . 15 1 1 A 19 19 HIS H H 17 8.761 8.367 0.394 1 1 169 . 15 1 1 A 19 19 HIS HA H 17 4.832 4.805 0.027 1 1 174 . 15 1 1 A 19 19 HIS C C 17 174.618 174.547 0.071 1 1 175 . 15 1 1 A 19 19 HIS CA C 17 56.449 54.861 1.588 1 1 176 . 15 1 1 A 19 19 HIS CB C 17 30.214 27.682 2.532 1 1 179 . 15 1 1 A 19 19 HIS N N 17 120.535 117.832 2.703 1 1 180 . 15 1 1 A 20 20 VAL H H 18 7.085 8.992 -1.907 1 1 181 . 15 1 1 A 20 20 VAL HA H 18 4.160 4.576 -0.416 1 1 189 . 15 1 1 A 20 20 VAL C C 18 174.436 174.426 0.010 1 1 190 . 15 1 1 A 20 20 VAL CA C 18 62.167 60.614 1.553 1 1 191 . 15 1 1 A 20 20 VAL CB C 18 34.426 34.828 -0.402 1 1 193 . 15 1 1 A 20 20 VAL N N 18 120.872 123.460 -2.588 1 1 194 . 15 1 1 A 21 21 ALA H H 19 8.521 8.556 -0.035 1 1 195 . 15 1 1 A 21 21 ALA HA H 19 4.367 4.298 0.069 1 1 199 . 15 1 1 A 21 21 ALA C C 19 177.657 178.218 -0.561 1 1 200 . 15 1 1 A 21 21 ALA CA C 19 51.193 50.875 0.318 1 1 201 . 15 1 1 A 21 21 ALA CB C 19 19.790 20.037 -0.247 1 1 202 . 15 1 1 A 21 21 ALA N N 19 131.339 127.700 3.639 1 1 203 . 15 1 1 A 22 22 ARG H H 20 7.790 8.260 -0.470 1 1 204 . 15 1 1 A 22 22 ARG HA H 20 2.451 3.431 -0.980 1 1 211 . 15 1 1 A 22 22 ARG C C 20 178.365 176.786 1.579 1 1 212 . 15 1 1 A 22 22 ARG CA C 20 59.379 57.643 1.736 1 1 213 . 15 1 1 A 22 22 ARG CB C 20 29.572 29.308 0.264 1 1 216 . 15 1 1 A 22 22 ARG N N 20 124.365 123.428 0.937 1 1 217 . 15 1 1 A 23 23 ALA H H 21 8.120 7.491 0.629 1 1 218 . 15 1 1 A 23 23 ALA HA H 21 4.060 4.200 -0.140 1 1 222 . 15 1 1 A 23 23 ALA C C 21 178.000 178.088 -0.088 1 1 223 . 15 1 1 A 23 23 ALA CA C 21 54.100 53.248 0.852 1 1 224 . 15 1 1 A 23 23 ALA CB C 21 18.713 18.663 0.050 1 1 225 . 15 1 1 A 23 23 ALA N N 21 117.156 121.775 -4.619 1 1 226 . 15 1 1 A 24 24 ASN H H 22 7.707 7.936 -0.229 1 1 227 . 15 1 1 A 24 24 ASN HA H 22 5.010 4.774 0.236 1 1 232 . 15 1 1 A 24 24 ASN C C 22 174.938 174.762 0.176 1 1 233 . 15 1 1 A 24 24 ASN CA C 22 52.869 53.213 -0.344 1 1 234 . 15 1 1 A 24 24 ASN CB C 22 40.573 39.075 1.498 1 1 235 . 15 1 1 A 24 24 ASN N N 22 112.819 115.263 -2.444 1 1 237 . 15 1 1 A 25 25 VAL H H 23 7.489 7.401 0.088 1 1 238 . 15 1 1 A 25 25 VAL HA H 23 4.888 4.290 0.598 1 1 246 . 15 1 1 A 25 25 VAL C C 23 175.829 175.484 0.345 1 1 247 . 15 1 1 A 25 25 VAL CA C 23 59.870 60.754 -0.884 1 1 248 . 15 1 1 A 25 25 VAL CB C 23 35.396 33.263 2.133 1 1 251 . 15 1 1 A 25 25 VAL N N 23 119.721 117.298 2.423 1 1 252 . 15 1 1 A 26 26 LYS H H 24 9.480 9.187 0.293 1 1 253 . 15 1 1 A 26 26 LYS HA H 24 4.353 4.415 -0.062 1 1 262 . 15 1 1 A 26 26 LYS C C 24 176.606 176.718 -0.112 1 1 263 . 15 1 1 A 26 26 LYS CA C 24 58.977 57.558 1.419 1 1 264 . 15 1 1 A 26 26 LYS CB C 24 34.567 33.374 1.193 1 1 268 . 15 1 1 A 26 26 LYS N N 24 127.843 122.356 5.487 1 1 269 . 15 1 1 A 27 27 HIS H H 25 7.237 7.659 -0.422 1 1 270 . 15 1 1 A 27 27 HIS HA H 25 4.979 5.092 -0.113 1 1 275 . 15 1 1 A 27 27 HIS C C 25 178.434 172.562 5.872 1 1 276 . 15 1 1 A 27 27 HIS CA C 25 55.406 54.578 0.828 1 1 277 . 15 1 1 A 27 27 HIS CB C 25 32.480 31.933 0.547 1 1 280 . 15 1 1 A 27 27 HIS N N 25 109.556 114.004 -4.448 1 1 281 . 15 1 1 A 28 28 LEU H H 26 8.189 8.945 -0.756 1 1 282 . 15 1 1 A 28 28 LEU HA H 26 5.190 5.187 0.003 1 1 292 . 15 1 1 A 28 28 LEU C C 26 175.510 175.326 0.184 1 1 293 . 15 1 1 A 28 28 LEU CA C 26 53.480 53.420 0.060 1 1 294 . 15 1 1 A 28 28 LEU CB C 26 45.235 45.122 0.113 1 1 298 . 15 1 1 A 28 28 LEU N N 26 117.260 119.747 -2.487 1 1 299 . 15 1 1 A 29 29 LYS H H 27 9.572 9.357 0.215 1 1 300 . 15 1 1 A 29 29 LYS HA H 27 5.372 5.074 0.298 1 1 309 . 15 1 1 A 29 29 LYS C C 27 174.801 175.088 -0.287 1 1 310 . 15 1 1 A 29 29 LYS CA C 27 55.165 54.812 0.353 1 1 311 . 15 1 1 A 29 29 LYS CB C 27 35.253 34.874 0.379 1 1 315 . 15 1 1 A 29 29 LYS N N 27 123.488 124.164 -0.676 1 1 316 . 15 1 1 A 30 30 ILE H H 28 9.136 9.048 0.088 1 1 317 . 15 1 1 A 30 30 ILE HA H 28 4.924 5.066 -0.142 1 1 327 . 15 1 1 A 30 30 ILE C C 28 176.949 174.882 2.067 1 1 328 . 15 1 1 A 30 30 ILE CA C 28 60.542 59.378 1.164 1 1 329 . 15 1 1 A 30 30 ILE CB C 28 39.600 40.130 -0.530 1 1 333 . 15 1 1 A 30 30 ILE N N 28 123.846 127.506 -3.660 1 1 334 . 15 1 1 A 31 31 LEU H H 29 8.805 8.973 -0.168 1 1 335 . 15 1 1 A 31 31 LEU HA H 29 4.535 4.922 -0.387 1 1 344 . 15 1 1 A 31 31 LEU C C 29 176.012 175.620 0.392 1 1 345 . 15 1 1 A 31 31 LEU CA C 29 55.366 53.034 2.332 1 1 346 . 15 1 1 A 31 31 LEU CB C 29 43.180 44.972 -1.792 1 1 349 . 15 1 1 A 31 31 LEU N N 29 128.649 127.089 1.560 1 1 350 . 15 1 1 A 32 32 ASN H H 30 8.216 8.774 -0.558 1 1 351 . 15 1 1 A 32 32 ASN HA H 30 5.005 4.945 0.060 1 1 356 . 15 1 1 A 32 32 ASN C C 30 174.664 174.314 0.350 1 1 357 . 15 1 1 A 32 32 ASN CA C 30 52.517 52.315 0.202 1 1 358 . 15 1 1 A 32 32 ASN CB C 30 38.776 38.774 0.002 1 1 359 . 15 1 1 A 32 32 ASN N N 30 120.791 123.819 -3.028 1 1 361 . 15 1 1 A 33 33 THR H H 31 7.883 8.796 -0.913 1 1 362 . 15 1 1 A 33 33 THR HA H 31 4.842 4.933 -0.091 1 1 367 . 15 1 1 A 33 33 THR CA C 31 58.369 59.285 -0.916 1 1 368 . 15 1 1 A 33 33 THR CB C 31 70.018 69.585 0.433 1 1 370 . 15 1 1 A 33 33 THR N N 31 115.811 117.600 -1.789 1 1 371 . 15 1 1 A 34 34 PRO HA H 32 4.317 4.464 -0.147 1 1 378 . 15 1 1 A 34 34 PRO CA C 32 65.164 63.859 1.305 1 1 379 . 15 1 1 A 34 34 PRO CB C 32 32.484 32.766 -0.282 1 1 382 . 15 1 1 A 35 35 ASN H H 33 8.259 8.383 -0.124 1 1 383 . 15 1 1 A 35 35 ASN HA H 33 4.651 4.943 -0.292 1 1 388 . 15 1 1 A 35 35 ASN C C 33 174.710 174.104 0.606 1 1 389 . 15 1 1 A 35 35 ASN CA C 33 54.532 54.272 0.260 1 1 390 . 15 1 1 A 35 35 ASN CB C 33 39.167 40.635 -1.468 1 1 391 . 15 1 1 A 35 35 ASN N N 33 120.081 116.227 3.854 1 1 393 . 15 1 1 A 36 36 CYS H H 34 7.569 7.789 -0.220 1 1 394 . 15 1 1 A 36 36 CYS HA H 34 4.675 4.950 -0.275 1 1 397 . 15 1 1 A 36 36 CYS C C 34 173.865 173.860 0.005 1 1 398 . 15 1 1 A 36 36 CYS CA C 34 55.447 54.711 0.736 1 1 399 . 15 1 1 A 36 36 CYS CB C 34 45.228 46.033 -0.805 1 1 400 . 15 1 1 A 36 36 CYS N N 34 117.076 114.935 2.141 1 1 401 . 15 1 1 A 37 37 ALA H H 35 8.472 8.387 0.085 1 1 402 . 15 1 1 A 37 37 ALA HA H 35 4.223 4.062 0.161 1 1 406 . 15 1 1 A 37 37 ALA C C 35 176.423 177.012 -0.589 1 1 407 . 15 1 1 A 37 37 ALA CA C 35 53.537 55.417 -1.880 1 1 408 . 15 1 1 A 37 37 ALA CB C 35 19.202 19.147 0.055 1 1 409 . 15 1 1 A 37 37 ALA N N 35 125.153 124.203 0.950 1 1 410 . 15 1 1 A 38 38 CYS H H 36 8.316 7.688 0.628 1 1 411 . 15 1 1 A 38 38 CYS HA H 36 4.196 4.721 -0.525 1 1 414 . 15 1 1 A 38 38 CYS C C 36 173.705 172.281 1.424 1 1 415 . 15 1 1 A 38 38 CYS CA C 36 58.616 58.266 0.350 1 1 416 . 15 1 1 A 38 38 CYS CB C 36 45.705 30.724 14.981 1 1 417 . 15 1 1 A 38 38 CYS N N 36 118.837 113.252 5.585 1 1 418 . 15 1 1 A 39 39 GLN H H 37 8.928 8.280 0.648 1 1 419 . 15 1 1 A 39 39 GLN HA H 37 4.596 4.898 -0.302 1 1 426 . 15 1 1 A 39 39 GLN C C 37 173.636 173.676 -0.040 1 1 427 . 15 1 1 A 39 39 GLN CA C 37 54.603 54.829 -0.226 1 1 428 . 15 1 1 A 39 39 GLN CB C 37 31.761 32.078 -0.317 1 1 430 . 15 1 1 A 39 39 GLN N N 37 128.567 123.992 4.575 1 1 432 . 15 1 1 A 40 40 ILE H H 38 8.851 8.520 0.331 1 1 433 . 15 1 1 A 40 40 ILE HA H 38 5.087 5.375 -0.288 1 1 443 . 15 1 1 A 40 40 ILE C C 38 174.390 174.601 -0.211 1 1 444 . 15 1 1 A 40 40 ILE CA C 38 60.582 59.911 0.671 1 1 445 . 15 1 1 A 40 40 ILE CB C 38 40.048 41.085 -1.037 1 1 449 . 15 1 1 A 40 40 ILE N N 38 123.962 126.474 -2.512 1 1 450 . 15 1 1 A 41 41 VAL H H 39 9.090 9.230 -0.140 1 1 451 . 15 1 1 A 41 41 VAL HA H 39 4.822 4.949 -0.127 1 1 459 . 15 1 1 A 41 41 VAL C C 39 175.487 174.794 0.693 1 1 460 . 15 1 1 A 41 41 VAL CA C 39 59.980 60.707 -0.727 1 1 461 . 15 1 1 A 41 41 VAL CB C 39 35.868 34.656 1.212 1 1 464 . 15 1 1 A 41 41 VAL N N 39 126.354 127.502 -1.148 1 1 465 . 15 1 1 A 42 42 ALA H H 40 9.513 9.523 -0.010 1 1 466 . 15 1 1 A 42 42 ALA HA H 40 5.137 5.308 -0.171 1 1 470 . 15 1 1 A 42 42 ALA C C 40 175.944 175.653 0.291 1 1 471 . 15 1 1 A 42 42 ALA CA C 40 50.591 50.107 0.484 1 1 472 . 15 1 1 A 42 42 ALA CB C 40 22.432 22.540 -0.108 1 1 473 . 15 1 1 A 42 42 ALA N N 40 128.406 128.965 -0.559 1 1 474 . 15 1 1 A 43 43 ARG H H 41 7.720 7.933 -0.213 1 1 475 . 15 1 1 A 43 43 ARG HA H 41 4.959 4.673 0.286 1 1 482 . 15 1 1 A 43 43 ARG C C 41 175.510 175.857 -0.347 1 1 483 . 15 1 1 A 43 43 ARG CA C 41 54.162 54.977 -0.815 1 1 484 . 15 1 1 A 43 43 ARG CB C 41 31.200 31.848 -0.648 1 1 487 . 15 1 1 A 43 43 ARG N N 41 121.795 122.376 -0.581 1 1 488 . 15 1 1 A 44 44 LEU H H 42 9.164 8.588 0.576 1 1 489 . 15 1 1 A 44 44 LEU HA H 42 5.021 4.451 0.570 1 1 499 . 15 1 1 A 44 44 LEU C C 42 177.840 178.529 -0.689 1 1 500 . 15 1 1 A 44 44 LEU CA C 42 54.724 55.005 -0.281 1 1 501 . 15 1 1 A 44 44 LEU CB C 42 41.712 42.274 -0.562 1 1 505 . 15 1 1 A 44 44 LEU N N 42 129.087 125.688 3.399 1 1 506 . 15 1 1 A 45 45 LYS H H 43 8.396 9.129 -0.733 1 1 507 . 15 1 1 A 45 45 LYS HA H 43 3.950 4.066 -0.116 1 1 516 . 15 1 1 A 45 45 LYS CA C 43 59.016 58.529 0.487 1 1 517 . 15 1 1 A 45 45 LYS CB C 43 34.102 32.389 1.713 1 1 520 . 15 1 1 A 45 45 LYS N N 43 119.674 122.051 -2.377 1 1 521 . 15 1 1 A 48 48 ASN HA H 46 4.709 4.589 0.120 1 1 526 . 15 1 1 A 48 48 ASN C C 46 175.098 175.683 -0.585 1 1 527 . 15 1 1 A 48 48 ASN CA C 46 54.764 55.643 -0.879 1 1 528 . 15 1 1 A 48 48 ASN CB C 46 39.265 39.135 0.130 1 1 530 . 15 1 1 A 49 49 ARG H H 47 7.923 7.580 0.343 1 1 531 . 15 1 1 A 49 49 ARG HA H 47 4.368 4.660 -0.292 1 1 538 . 15 1 1 A 49 49 ARG C C 47 175.601 174.500 1.101 1 1 539 . 15 1 1 A 49 49 ARG CA C 47 57.051 54.827 2.224 1 1 540 . 15 1 1 A 49 49 ARG CB C 47 32.121 32.491 -0.370 1 1 543 . 15 1 1 A 49 49 ARG N N 47 119.826 112.705 7.121 1 1 544 . 15 1 1 A 50 50 GLN H H 48 8.547 8.604 -0.057 1 1 545 . 15 1 1 A 50 50 GLN HA H 48 5.441 4.827 0.614 1 1 552 . 15 1 1 A 50 50 GLN C C 48 175.578 175.487 0.091 1 1 553 . 15 1 1 A 50 50 GLN CA C 48 55.125 54.840 0.285 1 1 554 . 15 1 1 A 50 50 GLN CB C 48 32.121 30.861 1.260 1 1 556 . 15 1 1 A 50 50 GLN N N 48 120.767 119.290 1.477 1 1 558 . 15 1 1 A 51 51 VAL H H 49 8.630 9.239 -0.609 1 1 559 . 15 1 1 A 51 51 VAL HA H 49 4.826 5.016 -0.190 1 1 567 . 15 1 1 A 51 51 VAL C C 49 175.258 173.887 1.371 1 1 568 . 15 1 1 A 51 51 VAL CA C 49 59.338 59.344 -0.006 1 1 569 . 15 1 1 A 51 51 VAL CB C 49 36.155 35.032 1.123 1 1 572 . 15 1 1 A 51 51 VAL N N 49 116.678 113.008 3.670 1 1 573 . 15 1 1 A 52 52 CYS H H 50 9.095 9.507 -0.412 1 1 574 . 15 1 1 A 52 52 CYS HA H 50 5.278 5.306 -0.028 1 1 577 . 15 1 1 A 52 52 CYS C C 50 174.527 172.785 1.742 1 1 578 . 15 1 1 A 52 52 CYS CA C 50 58.054 54.685 3.369 1 1 579 . 15 1 1 A 52 52 CYS CB C 50 43.162 43.665 -0.503 1 1 580 . 15 1 1 A 52 52 CYS N N 50 124.549 119.954 4.595 1 1 581 . 15 1 1 A 53 53 ILE H H 51 8.485 9.660 -1.175 1 1 582 . 15 1 1 A 53 53 ILE HA H 51 4.973 4.611 0.362 1 1 592 . 15 1 1 A 53 53 ILE C C 51 173.019 174.951 -1.932 1 1 593 . 15 1 1 A 53 53 ILE CA C 51 58.897 60.127 -1.230 1 1 594 . 15 1 1 A 53 53 ILE CB C 51 42.201 40.419 1.782 1 1 598 . 15 1 1 A 53 53 ILE N N 51 122.581 126.472 -3.891 1 1 599 . 15 1 1 A 54 54 ASP H H 52 7.661 8.096 -0.435 1 1 600 . 15 1 1 A 54 54 ASP HA H 52 3.611 4.570 -0.959 1 1 603 . 15 1 1 A 54 54 ASP CA C 52 51.574 51.797 -0.223 1 1 604 . 15 1 1 A 54 54 ASP CB C 52 42.515 41.698 0.817 1 1 605 . 15 1 1 A 54 54 ASP N N 52 125.772 127.303 -1.531 1 1 606 . 15 1 1 A 55 55 PRO HA H 53 4.010 4.229 -0.219 1 1 613 . 15 1 1 A 55 55 PRO C C 53 176.126 177.282 -1.156 1 1 614 . 15 1 1 A 55 55 PRO CA C 53 63.993 64.315 -0.322 1 1 615 . 15 1 1 A 55 55 PRO CB C 53 33.002 31.872 1.130 1 1 618 . 15 1 1 A 56 56 LYS H H 54 7.930 8.143 -0.213 1 1 619 . 15 1 1 A 56 56 LYS HA H 54 3.988 4.339 -0.351 1 1 628 . 15 1 1 A 56 56 LYS C C 54 177.931 176.101 1.830 1 1 629 . 15 1 1 A 56 56 LYS CA C 54 56.770 55.847 0.923 1 1 630 . 15 1 1 A 56 56 LYS CB C 54 32.023 32.873 -0.850 1 1 634 . 15 1 1 A 56 56 LYS N N 54 112.924 116.048 -3.124 1 1 635 . 15 1 1 A 57 57 LEU H H 55 7.161 7.148 0.013 1 1 636 . 15 1 1 A 57 57 LEU HA H 55 4.059 4.026 0.033 1 1 646 . 15 1 1 A 57 57 LEU C C 55 179.416 177.947 1.469 1 1 647 . 15 1 1 A 57 57 LEU CA C 55 56.088 55.557 0.531 1 1 648 . 15 1 1 A 57 57 LEU CB C 55 42.191 43.212 -1.021 1 1 652 . 15 1 1 A 57 57 LEU N N 55 120.593 123.545 -2.952 1 1 653 . 15 1 1 A 58 58 LYS H H 56 8.720 8.661 0.059 1 1 654 . 15 1 1 A 58 58 LYS HA H 56 3.911 4.037 -0.126 1 1 663 . 15 1 1 A 58 58 LYS C C 56 178.937 178.119 0.818 1 1 664 . 15 1 1 A 58 58 LYS CA C 56 60.301 59.083 1.218 1 1 665 . 15 1 1 A 58 58 LYS CB C 56 32.121 32.130 -0.009 1 1 669 . 15 1 1 A 58 58 LYS N N 56 125.479 123.281 2.198 1 1 670 . 15 1 1 A 59 59 TRP H H 57 7.811 8.155 -0.344 1 1 671 . 15 1 1 A 59 59 TRP HA H 57 4.664 4.559 0.105 1 1 680 . 15 1 1 A 59 59 TRP C C 57 178.868 179.455 -0.587 1 1 681 . 15 1 1 A 59 59 TRP CA C 57 58.897 59.764 -0.867 1 1 682 . 15 1 1 A 59 59 TRP CB C 57 28.036 28.207 -0.171 1 1 688 . 15 1 1 A 59 59 TRP N N 57 113.433 118.764 -5.331 1 1 690 . 15 1 1 A 60 60 ILE H H 58 6.461 7.314 -0.853 1 1 691 . 15 1 1 A 60 60 ILE HA H 58 3.304 3.521 -0.217 1 1 701 . 15 1 1 A 60 60 ILE C C 58 177.726 177.696 0.030 1 1 702 . 15 1 1 A 60 60 ILE CA C 58 64.314 64.618 -0.304 1 1 703 . 15 1 1 A 60 60 ILE CB C 58 35.897 36.433 -0.536 1 1 707 . 15 1 1 A 60 60 ILE N N 58 124.379 122.415 1.964 1 1 708 . 15 1 1 A 61 61 GLN H H 59 7.624 8.296 -0.672 1 1 709 . 15 1 1 A 61 61 GLN HA H 59 3.748 3.896 -0.148 1 1 716 . 15 1 1 A 61 61 GLN C C 59 178.434 178.966 -0.532 1 1 717 . 15 1 1 A 61 61 GLN CA C 59 59.379 59.398 -0.019 1 1 718 . 15 1 1 A 61 61 GLN CB C 59 28.272 28.308 -0.036 1 1 720 . 15 1 1 A 61 61 GLN N N 59 119.070 119.282 -0.212 1 1 722 . 15 1 1 A 62 62 GLU H H 60 8.064 7.978 0.086 1 1 723 . 15 1 1 A 62 62 GLU HA H 60 4.083 4.081 0.002 1 1 728 . 15 1 1 A 62 62 GLU C C 60 179.051 178.596 0.455 1 1 729 . 15 1 1 A 62 62 GLU CA C 60 59.659 59.342 0.317 1 1 730 . 15 1 1 A 62 62 GLU CB C 60 30.457 29.709 0.748 1 1 732 . 15 1 1 A 62 62 GLU N N 60 117.166 120.551 -3.385 1 1 733 . 15 1 1 A 63 63 TYR H H 61 7.924 8.631 -0.707 1 1 734 . 15 1 1 A 63 63 TYR HA H 61 4.254 4.213 0.041 1 1 741 . 15 1 1 A 63 63 TYR C C 61 178.617 177.445 1.172 1 1 742 . 15 1 1 A 63 63 TYR CA C 61 61.184 61.491 -0.307 1 1 743 . 15 1 1 A 63 63 TYR CB C 61 39.461 38.687 0.774 1 1 746 . 15 1 1 A 63 63 TYR N N 61 121.271 122.019 -0.748 1 1 747 . 15 1 1 A 64 64 LEU H H 62 8.260 9.244 -0.984 1 1 748 . 15 1 1 A 64 64 LEU HA H 62 3.954 4.025 -0.071 1 1 758 . 15 1 1 A 64 64 LEU C C 62 179.553 179.549 0.004 1 1 759 . 15 1 1 A 64 64 LEU CA C 62 58.014 58.194 -0.180 1 1 760 . 15 1 1 A 64 64 LEU CB C 62 42.191 41.594 0.597 1 1 764 . 15 1 1 A 64 64 LEU N N 62 116.299 120.166 -3.867 1 1 765 . 15 1 1 A 65 65 GLU H H 63 8.454 7.895 0.559 1 1 766 . 15 1 1 A 65 65 GLU HA H 63 3.840 4.024 -0.184 1 1 771 . 15 1 1 A 65 65 GLU C C 63 179.279 179.507 -0.228 1 1 772 . 15 1 1 A 65 65 GLU CA C 63 60.301 59.397 0.904 1 1 773 . 15 1 1 A 65 65 GLU CB C 63 29.870 29.178 0.692 1 1 775 . 15 1 1 A 65 65 GLU N N 63 118.616 117.489 1.127 1 1 776 . 15 1 1 A 66 66 LYS H H 64 7.575 8.261 -0.686 1 1 777 . 15 1 1 A 66 66 LYS HA H 64 4.212 4.008 0.204 1 1 786 . 15 1 1 A 66 66 LYS C C 64 178.457 179.364 -0.907 1 1 787 . 15 1 1 A 66 66 LYS CA C 64 58.496 59.342 -0.846 1 1 788 . 15 1 1 A 66 66 LYS CB C 64 32.400 32.444 -0.044 1 1 792 . 15 1 1 A 66 66 LYS N N 64 117.166 119.573 -2.407 1 1 793 . 15 1 1 A 67 67 CYS H H 65 7.918 8.503 -0.585 1 1 794 . 15 1 1 A 67 67 CYS HA H 65 4.526 4.110 0.416 1 1 797 . 15 1 1 A 67 67 CYS C C 65 174.893 177.197 -2.304 1 1 798 . 15 1 1 A 67 67 CYS CA C 65 56.329 62.095 -5.766 1 1 799 . 15 1 1 A 67 67 CYS CB C 65 45.235 27.341 17.894 1 1 800 . 15 1 1 A 67 67 CYS N N 65 115.330 118.851 -3.521 1 1 801 . 15 1 1 A 68 68 LEU H H 66 7.559 7.689 -0.130 1 1 802 . 15 1 1 A 68 68 LEU HA H 66 4.490 4.058 0.432 1 1 812 . 15 1 1 A 68 68 LEU C C 66 176.812 177.860 -1.048 1 1 813 . 15 1 1 A 68 68 LEU CA C 66 55.366 57.646 -2.280 1 1 814 . 15 1 1 A 68 68 LEU CB C 66 43.278 41.706 1.572 1 1 818 . 15 1 1 A 68 68 LEU N N 66 120.930 122.626 -1.696 1 1 819 . 15 1 1 A 69 69 ASN H H 67 8.265 7.910 0.355 1 1 820 . 15 1 1 A 69 69 ASN HA H 67 4.669 4.912 -0.243 1 1 825 . 15 1 1 A 69 69 ASN CA C 67 53.761 54.052 -0.291 1 1 826 . 15 1 1 A 69 69 ASN CB C 67 39.069 40.021 -0.952 1 1 827 . 15 1 1 A 69 69 ASN N N 67 120.279 115.174 5.105 1 1 852 . 15 2 2 B 4 4 GLU H H 102 8.329 7.588 0.741 1 1 853 . 15 2 2 B 4 4 GLU HA H 102 4.282 4.904 -0.622 1 1 858 . 15 2 2 B 4 4 GLU C C 102 177.132 175.140 1.992 1 1 859 . 15 2 2 B 4 4 GLU CA C 102 57.410 54.979 2.431 1 1 861 . 15 2 2 B 4 4 GLU N N 102 121.884 119.804 2.080 1 1 862 . 15 2 2 B 5 5 GLY H H 103 8.335 8.935 -0.600 1 1 863 . 15 2 2 B 5 5 GLY HA2 H 103 3.941 3.945 -0.004 1 1 864 . 15 2 2 B 5 5 GLY HA3 H 103 3.941 3.946 -0.005 1 1 865 . 15 2 2 B 5 5 GLY C C 103 174.207 174.815 -0.608 1 1 866 . 15 2 2 B 5 5 GLY CA C 103 45.731 47.007 -1.276 1 1 867 . 15 2 2 B 5 5 GLY N N 103 110.055 113.581 -3.526 1 1 868 . 15 2 2 B 6 6 ILE H H 104 7.831 8.046 -0.215 1 1 869 . 15 2 2 B 6 6 ILE HA H 104 4.269 3.882 0.387 1 1 879 . 15 2 2 B 6 6 ILE C C 104 176.401 176.231 0.170 1 1 880 . 15 2 2 B 6 6 ILE CA C 104 61.558 64.677 -3.119 1 1 881 . 15 2 2 B 6 6 ILE CB C 104 39.436 38.450 0.986 1 1 885 . 15 2 2 B 6 6 ILE N N 104 119.606 122.368 -2.762 1 1 886 . 15 2 2 B 7 7 SER H H 105 8.324 8.015 0.309 1 1 887 . 15 2 2 B 7 7 SER HA H 105 4.535 4.704 -0.169 1 1 890 . 15 2 2 B 7 7 SER C C 105 174.550 174.119 0.431 1 1 891 . 15 2 2 B 7 7 SER CA C 105 58.667 56.552 2.115 1 1 892 . 15 2 2 B 7 7 SER CB C 105 64.072 64.421 -0.349 1 1 893 . 15 2 2 B 7 7 SER N N 105 119.717 113.805 5.912 1 1 937 . 15 2 2 B 11 11 SER H H 109 8.211 8.423 -0.212 1 1 938 . 15 2 2 B 11 11 SER HA H 109 4.507 4.549 -0.042 1 1 941 . 15 2 2 B 11 11 SER C C 109 174.504 175.352 -0.848 1 1 942 . 15 2 2 B 11 11 SER CA C 109 58.919 58.880 0.039 1 1 943 . 15 2 2 B 11 11 SER CB C 109 64.198 63.104 1.094 1 1 944 . 15 2 2 B 11 11 SER N N 109 117.260 119.189 -1.929 1 1 945 . 15 2 2 B 12 12 ASP H H 110 8.323 8.923 -0.600 1 1 946 . 15 2 2 B 12 12 ASP HA H 110 4.620 4.512 0.108 1 1 949 . 15 2 2 B 12 12 ASP C C 110 176.058 176.203 -0.145 1 1 950 . 15 2 2 B 12 12 ASP CA C 110 55.022 56.931 -1.909 1 1 951 . 15 2 2 B 12 12 ASP CB C 110 41.825 40.261 1.564 1 1 952 . 15 2 2 B 12 12 ASP N N 110 122.020 122.882 -0.862 1 1 986 . 15 2 2 B 16 16 GLU H H 114 8.378 8.026 0.352 1 1 987 . 15 2 2 B 16 16 GLU HA H 114 4.268 4.430 -0.162 1 1 992 . 15 2 2 B 16 16 GLU C C 114 176.766 176.241 0.525 1 1 993 . 15 2 2 B 16 16 GLU CA C 114 57.410 56.098 1.312 1 1 994 . 15 2 2 B 16 16 GLU CB C 114 30.620 31.165 -0.545 1 1 996 . 15 2 2 B 16 16 GLU N N 114 123.052 121.755 1.297 1 1 997 . 15 2 2 B 17 17 GLU H H 115 8.326 8.660 -0.334 1 1 998 . 15 2 2 B 17 17 GLU HA H 115 4.274 4.755 -0.481 1 1 1003 . 15 2 2 B 17 17 GLU C C 115 176.880 175.554 1.326 1 1 1004 . 15 2 2 B 17 17 GLU CA C 115 57.410 55.846 1.564 1 1 1005 . 15 2 2 B 17 17 GLU CB C 115 30.525 31.400 -0.875 1 1 1007 . 15 2 2 B 17 17 GLU N N 115 121.688 120.506 1.182 1 1 1008 . 15 2 2 B 18 18 MET H H 116 8.309 8.697 -0.388 1 1 1009 . 15 2 2 B 18 18 MET HA H 116 4.473 5.013 -0.540 1 1 1014 . 15 2 2 B 18 18 MET C C 116 177.086 176.321 0.765 1 1 1015 . 15 2 2 B 18 18 MET CA C 116 56.279 53.547 2.732 1 1 1016 . 15 2 2 B 18 18 MET CB C 116 33.026 36.002 -2.976 1 1 1017 . 15 2 2 B 18 18 MET N N 116 121.270 116.920 4.350 1 1 1018 . 15 2 2 B 19 19 GLY H H 117 8.335 8.805 -0.470 1 1 1019 . 15 2 2 B 19 19 GLY HA2 H 117 4.054 3.933 0.121 1 1 1020 . 15 2 2 B 19 19 GLY HA3 H 117 4.054 3.934 0.120 1 1 1021 . 15 2 2 B 19 19 GLY C C 117 174.481 175.080 -0.599 1 1 1022 . 15 2 2 B 19 19 GLY CA C 117 45.847 47.254 -1.407 1 1 1023 . 15 2 2 B 19 19 GLY N N 117 110.055 108.395 1.660 1 1 1024 . 15 2 2 B 20 20 SER H H 118 8.230 8.276 -0.046 1 1 1025 . 15 2 2 B 20 20 SER HA H 118 4.476 4.045 0.431 1 1 1028 . 15 2 2 B 20 20 SER C C 118 175.327 173.568 1.759 1 1 1029 . 15 2 2 B 20 20 SER CA C 118 58.919 59.233 -0.314 1 1 1030 . 15 2 2 B 20 20 SER CB C 118 64.575 62.096 2.479 1 1 1031 . 15 2 2 B 20 20 SER N N 118 115.664 114.879 0.785 1 1 1032 . 15 2 2 B 21 21 GLY H H 119 8.354 8.409 -0.055 1 1 1033 . 15 2 2 B 21 21 GLY HA2 H 119 3.941 4.143 -0.202 1 1 1034 . 15 2 2 B 21 21 GLY HA3 H 119 3.941 4.144 -0.203 1 1 1035 . 15 2 2 B 21 21 GLY C C 119 174.002 173.478 0.524 1 1 1036 . 15 2 2 B 21 21 GLY CA C 119 45.721 44.202 1.519 1 1 1037 . 15 2 2 B 21 21 GLY N N 119 110.872 109.919 0.953 1 1 1068 . 15 2 2 B 25 25 SER H H 123 8.155 8.123 0.032 1 1 1069 . 15 2 2 B 25 25 SER HA H 123 4.391 4.125 0.266 1 1 1072 . 15 2 2 B 25 25 SER C C 123 175.075 173.234 1.841 1 1 1073 . 15 2 2 B 25 25 SER CA C 123 59.347 59.080 0.267 1 1 1074 . 15 2 2 B 25 25 SER CB C 123 63.879 61.671 2.208 1 1 1075 . 15 2 2 B 25 25 SER N N 123 116.126 114.053 2.073 1 1 1076 . 15 2 2 B 26 26 MET H H 124 8.221 7.811 0.410 1 1 1077 . 15 2 2 B 26 26 MET HA H 124 4.476 4.826 -0.350 1 1 1082 . 15 2 2 B 26 26 MET C C 124 176.355 174.837 1.518 1 1 1083 . 15 2 2 B 26 26 MET CA C 124 56.279 54.701 1.578 1 1 1084 . 15 2 2 B 26 26 MET CB C 124 32.900 35.747 -2.847 1 1 1086 . 15 2 2 B 26 26 MET N N 124 121.210 123.458 -2.248 1 1 1087 . 15 2 2 B 27 27 LYS H H 125 8.025 8.611 -0.586 1 1 1088 . 15 2 2 B 27 27 LYS HA H 125 4.312 4.953 -0.641 1 1 1097 . 15 2 2 B 27 27 LYS C C 125 176.355 175.488 0.867 1 1 1098 . 15 2 2 B 27 27 LYS CA C 125 56.656 54.406 2.250 1 1 1099 . 15 2 2 B 27 27 LYS CB C 125 33.529 35.032 -1.503 1 1 1103 . 15 2 2 B 27 27 LYS N N 125 121.457 120.441 1.016 1 1 1104 . 15 2 2 B 28 28 GLU H H 126 8.222 8.754 -0.532 1 1 1105 . 15 2 2 B 28 28 GLU N N 126 122.740 117.173 5.567 1 1 1106 . 15 2 2 B 29 29 PRO HA H 127 4.355 4.821 -0.466 1 1 1113 . 15 2 2 B 29 29 PRO C C 127 176.812 176.235 0.577 1 1 1114 . 15 2 2 B 29 29 PRO CA C 127 63.821 62.376 1.445 1 1 1115 . 15 2 2 B 29 29 PRO CB C 127 32.272 33.050 -0.778 1 1 1118 . 15 2 2 B 30 30 ALA H H 128 8.267 8.538 -0.271 1 1 1119 . 15 2 2 B 30 30 ALA HA H 128 4.269 4.521 -0.252 1 1 1123 . 15 2 2 B 30 30 ALA C C 128 177.589 177.636 -0.047 1 1 1124 . 15 2 2 B 30 30 ALA CA C 128 52.873 52.434 0.439 1 1 1125 . 15 2 2 B 30 30 ALA CB C 128 19.703 21.359 -1.656 1 1 1126 . 15 2 2 B 30 30 ALA N N 128 123.577 120.558 3.019 1 1 1127 . 15 2 2 B 31 31 PHE H H 129 8.019 8.243 -0.224 1 1 1128 . 15 2 2 B 31 31 PHE HA H 129 4.621 4.127 0.494 1 1 1136 . 15 2 2 B 31 31 PHE C C 129 175.624 174.396 1.228 1 1 1137 . 15 2 2 B 31 31 PHE CA C 129 58.039 58.861 -0.822 1 1 1138 . 15 2 2 B 31 31 PHE CB C 129 40.055 37.494 2.561 1 1 1142 . 15 2 2 B 31 31 PHE N N 129 118.994 117.697 1.297 1 1 1143 . 15 2 2 B 32 32 ARG H H 130 8.029 7.529 0.500 1 1 1144 . 15 2 2 B 32 32 ARG HA H 130 4.309 4.409 -0.100 1 1 1151 . 15 2 2 B 32 32 ARG C C 130 175.875 174.252 1.623 1 1 1152 . 15 2 2 B 32 32 ARG CA C 130 56.154 55.413 0.741 1 1 1153 . 15 2 2 B 32 32 ARG CB C 130 31.643 33.625 -1.982 1 1 1156 . 15 2 2 B 32 32 ARG N N 130 122.929 121.424 1.505 1 1 1157 . 15 2 2 B 33 33 GLU H H 131 8.374 8.485 -0.111 1 1 1158 . 15 2 2 B 33 33 GLU HA H 131 4.276 4.317 -0.041 1 1 1163 . 15 2 2 B 33 33 GLU C C 131 176.766 175.981 0.785 1 1 1164 . 15 2 2 B 33 33 GLU CA C 131 57.285 57.129 0.156 1 1 1165 . 15 2 2 B 33 33 GLU CB C 131 30.512 30.486 0.026 1 1 1167 . 15 2 2 B 33 33 GLU N N 131 122.719 124.456 -1.737 1 1 1168 . 15 2 2 B 34 34 GLU H H 132 8.509 8.679 -0.170 1 1 1169 . 15 2 2 B 34 34 GLU HA H 132 4.271 4.729 -0.458 1 1 1174 . 15 2 2 B 34 34 GLU C C 132 176.560 174.555 2.005 1 1 1175 . 15 2 2 B 34 34 GLU CA C 132 57.400 55.393 2.007 1 1 1176 . 15 2 2 B 34 34 GLU CB C 132 30.530 31.150 -0.620 1 1 1178 . 15 2 2 B 34 34 GLU N N 132 122.122 120.787 1.335 1 1 1179 . 15 2 2 B 35 35 ASN H H 133 8.362 8.837 -0.475 1 1 1180 . 15 2 2 B 35 35 ASN HA H 133 4.693 5.151 -0.458 1 1 1183 . 15 2 2 B 35 35 ASN C C 133 175.258 174.295 0.963 1 1 1184 . 15 2 2 B 35 35 ASN CA C 133 53.765 51.920 1.845 1 1 1185 . 15 2 2 B 35 35 ASN CB C 133 39.562 39.310 0.252 1 1 1186 . 15 2 2 B 35 35 ASN N N 133 119.552 123.752 -4.200 1 1 1187 . 15 2 2 B 36 36 ALA H H 134 8.155 8.417 -0.262 1 1 1188 . 15 2 2 B 36 36 ALA HA H 134 4.265 4.914 -0.649 1 1 1192 . 15 2 2 B 36 36 ALA C C 134 177.520 175.703 1.817 1 1 1193 . 15 2 2 B 36 36 ALA CA C 134 52.873 50.734 2.139 1 1 1194 . 15 2 2 B 36 36 ALA CB C 134 19.703 23.244 -3.541 1 1 1195 . 15 2 2 B 36 36 ALA N N 134 124.376 127.167 -2.791 1 1 1196 . 15 2 2 B 37 37 ASN H H 135 8.210 8.600 -0.390 1 1 1197 . 15 2 2 B 37 37 ASN HA H 135 4.688 4.872 -0.184 1 1 1200 . 15 2 2 B 37 37 ASN C C 135 175.144 175.783 -0.639 1 1 1201 . 15 2 2 B 37 37 ASN CA C 135 53.640 52.192 1.448 1 1 1202 . 15 2 2 B 37 37 ASN CB C 135 39.311 40.019 -0.708 1 1 1203 . 15 2 2 B 37 37 ASN N N 135 117.103 119.018 -1.915 1 1 1204 . 15 2 2 B 38 38 PHE H H 136 7.997 8.541 -0.544 1 1 1205 . 15 2 2 B 38 38 PHE HA H 136 4.623 4.222 0.401 1 1 1212 . 15 2 2 B 38 38 PHE C C 136 175.601 176.587 -0.986 1 1 1213 . 15 2 2 B 38 38 PHE CA C 136 58.165 58.692 -0.527 1 1 1214 . 15 2 2 B 38 38 PHE CB C 136 39.939 38.592 1.347 1 1 1217 . 15 2 2 B 38 38 PHE N N 136 120.229 120.496 -0.267 1 1 1218 . 15 2 2 B 39 39 ASN H H 137 8.272 9.081 -0.809 1 1 1219 . 15 2 2 B 39 39 ASN HA H 137 4.702 4.615 0.087 1 1 1222 . 15 2 2 B 39 39 ASN C C 137 174.047 174.096 -0.049 1 1 1223 . 15 2 2 B 39 39 ASN CA C 137 53.891 55.291 -1.400 1 1 1224 . 15 2 2 B 39 39 ASN CB C 137 39.688 38.381 1.307 1 1 1225 . 15 2 2 B 39 39 ASN N N 137 120.594 122.395 -1.801 1 1 3 . 16 1 1 A 4 4 PRO HA H 2 4.510 4.852 -0.342 1 1 10 . 16 1 1 A 4 4 PRO C C 2 177.132 175.347 1.785 1 1 11 . 16 1 1 A 4 4 PRO CA C 2 63.529 62.420 1.109 1 1 12 . 16 1 1 A 4 4 PRO CB C 2 32.476 31.705 0.771 1 1 15 . 16 1 1 A 5 5 VAL H H 3 8.201 8.623 -0.422 1 1 16 . 16 1 1 A 5 5 VAL HA H 3 4.140 4.576 -0.436 1 1 24 . 16 1 1 A 5 5 VAL C C 3 176.423 174.039 2.384 1 1 25 . 16 1 1 A 5 5 VAL CA C 3 62.873 59.955 2.918 1 1 26 . 16 1 1 A 5 5 VAL CB C 3 33.455 35.067 -1.612 1 1 28 . 16 1 1 A 5 5 VAL N N 3 120.488 124.262 -3.774 1 1 29 . 16 1 1 A 6 6 SER H H 4 8.276 8.898 -0.622 1 1 30 . 16 1 1 A 6 6 SER HA H 4 4.487 4.603 -0.116 1 1 33 . 16 1 1 A 6 6 SER C C 4 174.687 173.273 1.414 1 1 34 . 16 1 1 A 6 6 SER CA C 4 58.375 58.065 0.310 1 1 35 . 16 1 1 A 6 6 SER CB C 4 64.295 61.264 3.031 1 1 36 . 16 1 1 A 6 6 SER N N 4 119.000 126.203 -7.203 1 1 37 . 16 1 1 A 7 7 LEU H H 5 8.238 8.564 -0.326 1 1 38 . 16 1 1 A 7 7 LEU HA H 5 4.397 4.701 -0.304 1 1 44 . 16 1 1 A 7 7 LEU C C 5 177.406 175.466 1.940 1 1 45 . 16 1 1 A 7 7 LEU CA C 5 55.766 54.621 1.145 1 1 46 . 16 1 1 A 7 7 LEU CB C 5 43.132 40.510 2.622 1 1 48 . 16 1 1 A 7 7 LEU N N 5 124.704 127.452 -2.748 1 1 49 . 16 1 1 A 8 8 SER H H 6 8.148 8.475 -0.327 1 1 50 . 16 1 1 A 8 8 SER HA H 6 4.438 4.879 -0.441 1 1 53 . 16 1 1 A 8 8 SER C C 6 174.321 172.504 1.817 1 1 54 . 16 1 1 A 8 8 SER CA C 6 58.718 57.059 1.659 1 1 55 . 16 1 1 A 8 8 SER CB C 6 64.295 65.671 -1.376 1 1 56 . 16 1 1 A 8 8 SER N N 6 115.960 117.500 -1.540 1 1 57 . 16 1 1 A 9 9 TYR H H 7 7.915 8.639 -0.724 1 1 58 . 16 1 1 A 9 9 TYR HA H 7 4.585 4.631 -0.046 1 1 65 . 16 1 1 A 9 9 TYR C C 7 175.532 175.813 -0.281 1 1 66 . 16 1 1 A 9 9 TYR CA C 7 58.335 57.045 1.290 1 1 67 . 16 1 1 A 9 9 TYR CB C 7 39.474 37.777 1.697 1 1 70 . 16 1 1 A 9 9 TYR N N 7 121.884 118.796 3.088 1 1 71 . 16 1 1 A 10 10 ARG H H 8 8.117 8.278 -0.161 1 1 72 . 16 1 1 A 10 10 ARG HA H 8 4.337 4.894 -0.557 1 1 79 . 16 1 1 A 10 10 ARG C C 8 175.898 174.423 1.475 1 1 80 . 16 1 1 A 10 10 ARG CA C 8 56.048 54.237 1.811 1 1 81 . 16 1 1 A 10 10 ARG CB C 8 31.492 34.334 -2.842 1 1 84 . 16 1 1 A 10 10 ARG N N 8 121.977 123.857 -1.880 1 1 85 . 16 1 1 A 11 11 CYS H H 9 8.127 8.658 -0.531 1 1 86 . 16 1 1 A 11 11 CYS HA H 9 4.984 5.120 -0.136 1 1 89 . 16 1 1 A 11 11 CYS C C 9 177.771 173.624 4.147 1 1 90 . 16 1 1 A 11 11 CYS CA C 9 53.192 53.196 -0.004 1 1 91 . 16 1 1 A 11 11 CYS CB C 9 40.897 45.691 -4.794 1 1 92 . 16 1 1 A 11 11 CYS N N 9 121.209 119.289 1.920 1 1 93 . 16 1 1 A 12 12 PRO HA H 10 4.321 4.368 -0.047 1 1 100 . 16 1 1 A 12 12 PRO CA C 10 65.478 65.144 0.334 1 1 101 . 16 1 1 A 12 12 PRO CB C 10 32.904 31.729 1.175 1 1 104 . 16 1 1 A 13 13 CYS H H 11 8.633 8.275 0.358 1 1 105 . 16 1 1 A 13 13 CYS C C 11 174.618 173.519 1.099 1 1 106 . 16 1 1 A 13 13 CYS N N 11 114.595 116.220 -1.625 1 1 107 . 16 1 1 A 14 14 ARG H H 12 8.236 8.972 -0.736 1 1 108 . 16 1 1 A 14 14 ARG HA H 12 4.067 4.133 -0.066 1 1 115 . 16 1 1 A 14 14 ARG C C 12 175.098 175.138 -0.040 1 1 116 . 16 1 1 A 14 14 ARG CA C 12 57.370 57.510 -0.140 1 1 117 . 16 1 1 A 14 14 ARG CB C 12 31.631 31.205 0.426 1 1 120 . 16 1 1 A 14 14 ARG N N 12 122.779 127.701 -4.922 1 1 121 . 16 1 1 A 15 15 PHE H H 13 7.571 7.705 -0.134 1 1 122 . 16 1 1 A 15 15 PHE HA H 13 4.510 5.103 -0.593 1 1 129 . 16 1 1 A 15 15 PHE C C 13 174.162 174.775 -0.613 1 1 130 . 16 1 1 A 15 15 PHE CA C 13 56.289 55.889 0.400 1 1 131 . 16 1 1 A 15 15 PHE CB C 13 41.320 42.681 -1.361 1 1 134 . 16 1 1 A 15 15 PHE N N 13 116.797 116.100 0.697 1 1 135 . 16 1 1 A 16 16 PHE H H 14 8.084 8.720 -0.636 1 1 136 . 16 1 1 A 16 16 PHE HA H 14 4.767 5.616 -0.849 1 1 143 . 16 1 1 A 16 16 PHE C C 14 175.441 173.034 2.407 1 1 144 . 16 1 1 A 16 16 PHE CA C 14 55.767 55.154 0.613 1 1 145 . 16 1 1 A 16 16 PHE CB C 14 41.320 42.645 -1.325 1 1 148 . 16 1 1 A 16 16 PHE N N 14 118.930 117.754 1.176 1 1 149 . 16 1 1 A 17 17 GLU H H 15 8.815 9.730 -0.915 1 1 150 . 16 1 1 A 17 17 GLU HA H 15 4.579 4.586 -0.007 1 1 155 . 16 1 1 A 17 17 GLU C C 15 176.857 176.185 0.672 1 1 156 . 16 1 1 A 17 17 GLU CA C 15 56.289 56.123 0.166 1 1 157 . 16 1 1 A 17 17 GLU CB C 15 31.173 31.203 -0.030 1 1 159 . 16 1 1 A 17 17 GLU N N 15 122.929 121.258 1.671 1 1 160 . 16 1 1 A 18 18 SER H H 16 8.751 9.140 -0.389 1 1 161 . 16 1 1 A 18 18 SER HA H 16 4.762 4.641 0.121 1 1 164 . 16 1 1 A 18 18 SER C C 16 177.497 173.752 3.745 1 1 165 . 16 1 1 A 18 18 SER CA C 16 59.328 59.797 -0.469 1 1 166 . 16 1 1 A 18 18 SER CB C 16 64.515 64.980 -0.465 1 1 167 . 16 1 1 A 18 18 SER N N 16 118.860 119.328 -0.468 1 1 168 . 16 1 1 A 19 19 HIS H H 17 8.761 8.347 0.414 1 1 169 . 16 1 1 A 19 19 HIS HA H 17 4.832 4.847 -0.015 1 1 174 . 16 1 1 A 19 19 HIS C C 17 174.618 174.347 0.271 1 1 175 . 16 1 1 A 19 19 HIS CA C 17 56.449 54.717 1.732 1 1 176 . 16 1 1 A 19 19 HIS CB C 17 30.214 27.555 2.659 1 1 179 . 16 1 1 A 19 19 HIS N N 17 120.535 117.762 2.773 1 1 180 . 16 1 1 A 20 20 VAL H H 18 7.085 8.972 -1.887 1 1 181 . 16 1 1 A 20 20 VAL HA H 18 4.160 4.715 -0.555 1 1 189 . 16 1 1 A 20 20 VAL C C 18 174.436 175.033 -0.597 1 1 190 . 16 1 1 A 20 20 VAL CA C 18 62.167 59.889 2.278 1 1 191 . 16 1 1 A 20 20 VAL CB C 18 34.426 34.211 0.215 1 1 193 . 16 1 1 A 20 20 VAL N N 18 120.872 123.230 -2.358 1 1 194 . 16 1 1 A 21 21 ALA H H 19 8.521 8.787 -0.266 1 1 195 . 16 1 1 A 21 21 ALA HA H 19 4.367 4.251 0.116 1 1 199 . 16 1 1 A 21 21 ALA C C 19 177.657 178.133 -0.476 1 1 200 . 16 1 1 A 21 21 ALA CA C 19 51.193 51.907 -0.714 1 1 201 . 16 1 1 A 21 21 ALA CB C 19 19.790 18.977 0.813 1 1 202 . 16 1 1 A 21 21 ALA N N 19 131.339 129.447 1.892 1 1 203 . 16 1 1 A 22 22 ARG H H 20 7.790 8.203 -0.413 1 1 204 . 16 1 1 A 22 22 ARG HA H 20 2.451 3.230 -0.779 1 1 211 . 16 1 1 A 22 22 ARG C C 20 178.365 176.950 1.415 1 1 212 . 16 1 1 A 22 22 ARG CA C 20 59.379 57.938 1.441 1 1 213 . 16 1 1 A 22 22 ARG CB C 20 29.572 29.070 0.502 1 1 216 . 16 1 1 A 22 22 ARG N N 20 124.365 124.145 0.220 1 1 217 . 16 1 1 A 23 23 ALA H H 21 8.120 7.488 0.632 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 21 178.000 177.902 0.098 1 1 223 . 16 1 1 A 23 23 ALA CA C 21 54.100 53.156 0.944 1 1 224 . 16 1 1 A 23 23 ALA CB C 21 18.713 18.794 -0.081 1 1 225 . 16 1 1 A 23 23 ALA N N 21 117.156 120.416 -3.260 1 1 226 . 16 1 1 A 24 24 ASN H H 22 7.707 8.017 -0.310 1 1 227 . 16 1 1 A 24 24 ASN HA H 22 5.010 4.760 0.250 1 1 232 . 16 1 1 A 24 24 ASN C C 22 174.938 174.815 0.123 1 1 233 . 16 1 1 A 24 24 ASN CA C 22 52.869 52.657 0.212 1 1 234 . 16 1 1 A 24 24 ASN CB C 22 40.573 38.951 1.622 1 1 235 . 16 1 1 A 24 24 ASN N N 22 112.819 115.094 -2.275 1 1 237 . 16 1 1 A 25 25 VAL H H 23 7.489 7.404 0.085 1 1 238 . 16 1 1 A 25 25 VAL HA H 23 4.888 4.417 0.471 1 1 246 . 16 1 1 A 25 25 VAL C C 23 175.829 175.531 0.298 1 1 247 . 16 1 1 A 25 25 VAL CA C 23 59.870 59.558 0.312 1 1 248 . 16 1 1 A 25 25 VAL CB C 23 35.396 34.395 1.001 1 1 251 . 16 1 1 A 25 25 VAL N N 23 119.721 117.071 2.650 1 1 252 . 16 1 1 A 26 26 LYS H H 24 9.480 8.985 0.495 1 1 253 . 16 1 1 A 26 26 LYS HA H 24 4.353 4.341 0.012 1 1 262 . 16 1 1 A 26 26 LYS C C 24 176.606 176.709 -0.103 1 1 263 . 16 1 1 A 26 26 LYS CA C 24 58.977 57.498 1.479 1 1 264 . 16 1 1 A 26 26 LYS CB C 24 34.567 32.911 1.656 1 1 268 . 16 1 1 A 26 26 LYS N N 24 127.843 121.969 5.874 1 1 269 . 16 1 1 A 27 27 HIS H H 25 7.237 7.562 -0.325 1 1 270 . 16 1 1 A 27 27 HIS HA H 25 4.979 5.016 -0.037 1 1 275 . 16 1 1 A 27 27 HIS C C 25 178.434 172.561 5.873 1 1 276 . 16 1 1 A 27 27 HIS CA C 25 55.406 54.736 0.670 1 1 277 . 16 1 1 A 27 27 HIS CB C 25 32.480 31.372 1.108 1 1 280 . 16 1 1 A 27 27 HIS N N 25 109.556 114.056 -4.500 1 1 281 . 16 1 1 A 28 28 LEU H H 26 8.189 8.900 -0.711 1 1 282 . 16 1 1 A 28 28 LEU HA H 26 5.190 5.252 -0.062 1 1 292 . 16 1 1 A 28 28 LEU C C 26 175.510 175.384 0.126 1 1 293 . 16 1 1 A 28 28 LEU CA C 26 53.480 53.566 -0.086 1 1 294 . 16 1 1 A 28 28 LEU CB C 26 45.235 45.163 0.072 1 1 298 . 16 1 1 A 28 28 LEU N N 26 117.260 119.865 -2.605 1 1 299 . 16 1 1 A 29 29 LYS H H 27 9.572 9.188 0.384 1 1 300 . 16 1 1 A 29 29 LYS HA H 27 5.372 5.200 0.172 1 1 309 . 16 1 1 A 29 29 LYS C C 27 174.801 174.704 0.097 1 1 310 . 16 1 1 A 29 29 LYS CA C 27 55.165 54.774 0.391 1 1 311 . 16 1 1 A 29 29 LYS CB C 27 35.253 35.684 -0.431 1 1 315 . 16 1 1 A 29 29 LYS N N 27 123.488 123.516 -0.028 1 1 316 . 16 1 1 A 30 30 ILE H H 28 9.136 8.982 0.154 1 1 317 . 16 1 1 A 30 30 ILE HA H 28 4.924 5.137 -0.213 1 1 327 . 16 1 1 A 30 30 ILE C C 28 176.949 174.709 2.240 1 1 328 . 16 1 1 A 30 30 ILE CA C 28 60.542 59.689 0.853 1 1 329 . 16 1 1 A 30 30 ILE CB C 28 39.600 38.436 1.164 1 1 333 . 16 1 1 A 30 30 ILE N N 28 123.846 128.020 -4.174 1 1 334 . 16 1 1 A 31 31 LEU H H 29 8.805 9.699 -0.894 1 1 335 . 16 1 1 A 31 31 LEU HA H 29 4.535 5.118 -0.583 1 1 344 . 16 1 1 A 31 31 LEU C C 29 176.012 175.395 0.617 1 1 345 . 16 1 1 A 31 31 LEU CA C 29 55.366 53.283 2.083 1 1 346 . 16 1 1 A 31 31 LEU CB C 29 43.180 44.656 -1.476 1 1 349 . 16 1 1 A 31 31 LEU N N 29 128.649 128.197 0.452 1 1 350 . 16 1 1 A 32 32 ASN H H 30 8.216 8.863 -0.647 1 1 351 . 16 1 1 A 32 32 ASN HA H 30 5.005 5.369 -0.364 1 1 356 . 16 1 1 A 32 32 ASN C C 30 174.664 174.398 0.266 1 1 357 . 16 1 1 A 32 32 ASN CA C 30 52.517 51.767 0.750 1 1 358 . 16 1 1 A 32 32 ASN CB C 30 38.776 40.276 -1.500 1 1 359 . 16 1 1 A 32 32 ASN N N 30 120.791 123.121 -2.330 1 1 361 . 16 1 1 A 33 33 THR H H 31 7.883 8.111 -0.228 1 1 362 . 16 1 1 A 33 33 THR HA H 31 4.842 4.962 -0.120 1 1 367 . 16 1 1 A 33 33 THR CA C 31 58.369 58.626 -0.257 1 1 368 . 16 1 1 A 33 33 THR CB C 31 70.018 70.020 -0.002 1 1 370 . 16 1 1 A 33 33 THR N N 31 115.811 117.939 -2.128 1 1 371 . 16 1 1 A 34 34 PRO HA H 32 4.317 4.538 -0.221 1 1 378 . 16 1 1 A 34 34 PRO CA C 32 65.164 63.990 1.174 1 1 379 . 16 1 1 A 34 34 PRO CB C 32 32.484 31.928 0.556 1 1 382 . 16 1 1 A 35 35 ASN H H 33 8.259 8.603 -0.344 1 1 383 . 16 1 1 A 35 35 ASN HA H 33 4.651 5.033 -0.382 1 1 388 . 16 1 1 A 35 35 ASN C C 33 174.710 174.056 0.654 1 1 389 . 16 1 1 A 35 35 ASN CA C 33 54.532 54.201 0.331 1 1 390 . 16 1 1 A 35 35 ASN CB C 33 39.167 41.303 -2.136 1 1 391 . 16 1 1 A 35 35 ASN N N 33 120.081 115.186 4.895 1 1 393 . 16 1 1 A 36 36 CYS H H 34 7.569 7.795 -0.226 1 1 394 . 16 1 1 A 36 36 CYS HA H 34 4.675 4.967 -0.292 1 1 397 . 16 1 1 A 36 36 CYS C C 34 173.865 173.821 0.044 1 1 398 . 16 1 1 A 36 36 CYS CA C 34 55.447 54.810 0.637 1 1 399 . 16 1 1 A 36 36 CYS CB C 34 45.228 44.746 0.482 1 1 400 . 16 1 1 A 36 36 CYS N N 34 117.076 115.194 1.882 1 1 401 . 16 1 1 A 37 37 ALA H H 35 8.472 8.610 -0.138 1 1 402 . 16 1 1 A 37 37 ALA HA H 35 4.223 4.142 0.081 1 1 406 . 16 1 1 A 37 37 ALA C C 35 176.423 177.134 -0.711 1 1 407 . 16 1 1 A 37 37 ALA CA C 35 53.537 55.532 -1.995 1 1 408 . 16 1 1 A 37 37 ALA CB C 35 19.202 19.042 0.160 1 1 409 . 16 1 1 A 37 37 ALA N N 35 125.153 125.931 -0.778 1 1 410 . 16 1 1 A 38 38 CYS H H 36 8.316 7.998 0.318 1 1 411 . 16 1 1 A 38 38 CYS HA H 36 4.196 4.729 -0.533 1 1 414 . 16 1 1 A 38 38 CYS C C 36 173.705 172.767 0.938 1 1 415 . 16 1 1 A 38 38 CYS CA C 36 58.616 57.680 0.936 1 1 416 . 16 1 1 A 38 38 CYS CB C 36 45.705 30.755 14.950 1 1 417 . 16 1 1 A 38 38 CYS N N 36 118.837 114.578 4.259 1 1 418 . 16 1 1 A 39 39 GLN H H 37 8.928 8.866 0.062 1 1 419 . 16 1 1 A 39 39 GLN HA H 37 4.596 5.068 -0.472 1 1 426 . 16 1 1 A 39 39 GLN C C 37 173.636 174.042 -0.406 1 1 427 . 16 1 1 A 39 39 GLN CA C 37 54.603 54.141 0.462 1 1 428 . 16 1 1 A 39 39 GLN CB C 37 31.761 31.937 -0.176 1 1 430 . 16 1 1 A 39 39 GLN N N 37 128.567 126.394 2.173 1 1 432 . 16 1 1 A 40 40 ILE H H 38 8.851 8.458 0.393 1 1 433 . 16 1 1 A 40 40 ILE HA H 38 5.087 4.927 0.160 1 1 443 . 16 1 1 A 40 40 ILE C C 38 174.390 174.945 -0.555 1 1 444 . 16 1 1 A 40 40 ILE CA C 38 60.582 60.096 0.486 1 1 445 . 16 1 1 A 40 40 ILE CB C 38 40.048 38.765 1.283 1 1 449 . 16 1 1 A 40 40 ILE N N 38 123.962 127.731 -3.769 1 1 450 . 16 1 1 A 41 41 VAL H H 39 9.090 9.693 -0.603 1 1 451 . 16 1 1 A 41 41 VAL HA H 39 4.822 4.892 -0.070 1 1 459 . 16 1 1 A 41 41 VAL C C 39 175.487 174.782 0.705 1 1 460 . 16 1 1 A 41 41 VAL CA C 39 59.980 61.155 -1.175 1 1 461 . 16 1 1 A 41 41 VAL CB C 39 35.868 33.669 2.199 1 1 464 . 16 1 1 A 41 41 VAL N N 39 126.354 128.744 -2.390 1 1 465 . 16 1 1 A 42 42 ALA H H 40 9.513 9.619 -0.106 1 1 466 . 16 1 1 A 42 42 ALA HA H 40 5.137 5.146 -0.009 1 1 470 . 16 1 1 A 42 42 ALA C C 40 175.944 175.628 0.316 1 1 471 . 16 1 1 A 42 42 ALA CA C 40 50.591 50.106 0.485 1 1 472 . 16 1 1 A 42 42 ALA CB C 40 22.432 22.436 -0.004 1 1 473 . 16 1 1 A 42 42 ALA N N 40 128.406 129.205 -0.799 1 1 474 . 16 1 1 A 43 43 ARG H H 41 7.720 8.255 -0.535 1 1 475 . 16 1 1 A 43 43 ARG HA H 41 4.959 4.636 0.323 1 1 482 . 16 1 1 A 43 43 ARG C C 41 175.510 175.519 -0.009 1 1 483 . 16 1 1 A 43 43 ARG CA C 41 54.162 55.461 -1.299 1 1 484 . 16 1 1 A 43 43 ARG CB C 41 31.200 31.694 -0.494 1 1 487 . 16 1 1 A 43 43 ARG N N 41 121.795 121.691 0.104 1 1 488 . 16 1 1 A 44 44 LEU H H 42 9.164 8.466 0.698 1 1 489 . 16 1 1 A 44 44 LEU HA H 42 5.021 4.361 0.660 1 1 499 . 16 1 1 A 44 44 LEU C C 42 177.840 177.020 0.820 1 1 500 . 16 1 1 A 44 44 LEU CA C 42 54.724 55.253 -0.529 1 1 501 . 16 1 1 A 44 44 LEU CB C 42 41.712 43.326 -1.614 1 1 505 . 16 1 1 A 44 44 LEU N N 42 129.087 127.029 2.058 1 1 506 . 16 1 1 A 45 45 LYS H H 43 8.396 8.422 -0.026 1 1 507 . 16 1 1 A 45 45 LYS HA H 43 3.950 3.920 0.030 1 1 516 . 16 1 1 A 45 45 LYS CA C 43 59.016 57.001 2.015 1 1 517 . 16 1 1 A 45 45 LYS CB C 43 34.102 32.844 1.258 1 1 520 . 16 1 1 A 45 45 LYS N N 43 119.674 124.707 -5.033 1 1 521 . 16 1 1 A 48 48 ASN HA H 46 4.709 4.358 0.351 1 1 526 . 16 1 1 A 48 48 ASN C C 46 175.098 175.773 -0.675 1 1 527 . 16 1 1 A 48 48 ASN CA C 46 54.764 56.618 -1.854 1 1 528 . 16 1 1 A 48 48 ASN CB C 46 39.265 38.638 0.627 1 1 530 . 16 1 1 A 49 49 ARG H H 47 7.923 7.687 0.236 1 1 531 . 16 1 1 A 49 49 ARG HA H 47 4.368 4.790 -0.422 1 1 538 . 16 1 1 A 49 49 ARG C C 47 175.601 174.168 1.433 1 1 539 . 16 1 1 A 49 49 ARG CA C 47 57.051 54.189 2.862 1 1 540 . 16 1 1 A 49 49 ARG CB C 47 32.121 33.389 -1.268 1 1 543 . 16 1 1 A 49 49 ARG N N 47 119.826 113.036 6.790 1 1 544 . 16 1 1 A 50 50 GLN H H 48 8.547 8.575 -0.028 1 1 545 . 16 1 1 A 50 50 GLN HA H 48 5.441 5.130 0.311 1 1 552 . 16 1 1 A 50 50 GLN C C 48 175.578 175.035 0.543 1 1 553 . 16 1 1 A 50 50 GLN CA C 48 55.125 54.377 0.748 1 1 554 . 16 1 1 A 50 50 GLN CB C 48 32.121 31.082 1.039 1 1 556 . 16 1 1 A 50 50 GLN N N 48 120.767 119.198 1.569 1 1 558 . 16 1 1 A 51 51 VAL H H 49 8.630 9.562 -0.932 1 1 559 . 16 1 1 A 51 51 VAL HA H 49 4.826 4.839 -0.013 1 1 567 . 16 1 1 A 51 51 VAL C C 49 175.258 174.333 0.925 1 1 568 . 16 1 1 A 51 51 VAL CA C 49 59.338 60.014 -0.676 1 1 569 . 16 1 1 A 51 51 VAL CB C 49 36.155 34.135 2.020 1 1 572 . 16 1 1 A 51 51 VAL N N 49 116.678 117.980 -1.302 1 1 573 . 16 1 1 A 52 52 CYS H H 50 9.095 8.950 0.145 1 1 574 . 16 1 1 A 52 52 CYS HA H 50 5.278 5.473 -0.195 1 1 577 . 16 1 1 A 52 52 CYS C C 50 174.527 173.560 0.967 1 1 578 . 16 1 1 A 52 52 CYS CA C 50 58.054 54.440 3.614 1 1 579 . 16 1 1 A 52 52 CYS CB C 50 43.162 43.800 -0.638 1 1 580 . 16 1 1 A 52 52 CYS N N 50 124.549 121.704 2.845 1 1 581 . 16 1 1 A 53 53 ILE H H 51 8.485 9.384 -0.899 1 1 582 . 16 1 1 A 53 53 ILE HA H 51 4.973 4.981 -0.008 1 1 592 . 16 1 1 A 53 53 ILE C C 51 173.019 174.295 -1.276 1 1 593 . 16 1 1 A 53 53 ILE CA C 51 58.897 58.749 0.148 1 1 594 . 16 1 1 A 53 53 ILE CB C 51 42.201 40.904 1.297 1 1 598 . 16 1 1 A 53 53 ILE N N 51 122.581 121.160 1.421 1 1 599 . 16 1 1 A 54 54 ASP H H 52 7.661 7.857 -0.196 1 1 600 . 16 1 1 A 54 54 ASP HA H 52 3.611 4.369 -0.758 1 1 603 . 16 1 1 A 54 54 ASP CA C 52 51.574 51.642 -0.068 1 1 604 . 16 1 1 A 54 54 ASP CB C 52 42.515 41.243 1.272 1 1 605 . 16 1 1 A 54 54 ASP N N 52 125.772 125.297 0.475 1 1 606 . 16 1 1 A 55 55 PRO HA H 53 4.010 4.254 -0.244 1 1 613 . 16 1 1 A 55 55 PRO C C 53 176.126 176.708 -0.582 1 1 614 . 16 1 1 A 55 55 PRO CA C 53 63.993 64.165 -0.172 1 1 615 . 16 1 1 A 55 55 PRO CB C 53 33.002 31.680 1.322 1 1 618 . 16 1 1 A 56 56 LYS H H 54 7.930 7.893 0.037 1 1 619 . 16 1 1 A 56 56 LYS HA H 54 3.988 4.344 -0.356 1 1 628 . 16 1 1 A 56 56 LYS C C 54 177.931 175.742 2.189 1 1 629 . 16 1 1 A 56 56 LYS CA C 54 56.770 55.871 0.899 1 1 630 . 16 1 1 A 56 56 LYS CB C 54 32.023 32.945 -0.922 1 1 634 . 16 1 1 A 56 56 LYS N N 54 112.924 116.134 -3.210 1 1 635 . 16 1 1 A 57 57 LEU H H 55 7.161 7.181 -0.020 1 1 636 . 16 1 1 A 57 57 LEU HA H 55 4.059 3.916 0.143 1 1 646 . 16 1 1 A 57 57 LEU C C 55 179.416 177.612 1.804 1 1 647 . 16 1 1 A 57 57 LEU CA C 55 56.088 55.942 0.146 1 1 648 . 16 1 1 A 57 57 LEU CB C 55 42.191 43.604 -1.413 1 1 652 . 16 1 1 A 57 57 LEU N N 55 120.593 123.001 -2.408 1 1 653 . 16 1 1 A 58 58 LYS H H 56 8.720 8.849 -0.129 1 1 654 . 16 1 1 A 58 58 LYS HA H 56 3.911 3.845 0.066 1 1 663 . 16 1 1 A 58 58 LYS C C 56 178.937 178.223 0.714 1 1 664 . 16 1 1 A 58 58 LYS CA C 56 60.301 59.838 0.463 1 1 665 . 16 1 1 A 58 58 LYS CB C 56 32.121 32.215 -0.094 1 1 669 . 16 1 1 A 58 58 LYS N N 56 125.479 126.361 -0.882 1 1 670 . 16 1 1 A 59 59 TRP H H 57 7.811 8.159 -0.348 1 1 671 . 16 1 1 A 59 59 TRP HA H 57 4.664 4.530 0.134 1 1 680 . 16 1 1 A 59 59 TRP C C 57 178.868 179.370 -0.502 1 1 681 . 16 1 1 A 59 59 TRP CA C 57 58.897 59.746 -0.849 1 1 682 . 16 1 1 A 59 59 TRP CB C 57 28.036 27.991 0.045 1 1 688 . 16 1 1 A 59 59 TRP N N 57 113.433 119.148 -5.715 1 1 690 . 16 1 1 A 60 60 ILE H H 58 6.461 7.519 -1.058 1 1 691 . 16 1 1 A 60 60 ILE HA H 58 3.304 3.485 -0.181 1 1 701 . 16 1 1 A 60 60 ILE C C 58 177.726 177.688 0.038 1 1 702 . 16 1 1 A 60 60 ILE CA C 58 64.314 64.442 -0.128 1 1 703 . 16 1 1 A 60 60 ILE CB C 58 35.897 36.388 -0.491 1 1 707 . 16 1 1 A 60 60 ILE N N 58 124.379 122.420 1.959 1 1 708 . 16 1 1 A 61 61 GLN H H 59 7.624 8.413 -0.789 1 1 709 . 16 1 1 A 61 61 GLN HA H 59 3.748 3.907 -0.159 1 1 716 . 16 1 1 A 61 61 GLN C C 59 178.434 178.798 -0.364 1 1 717 . 16 1 1 A 61 61 GLN CA C 59 59.379 58.986 0.393 1 1 718 . 16 1 1 A 61 61 GLN CB C 59 28.272 28.289 -0.017 1 1 720 . 16 1 1 A 61 61 GLN N N 59 119.070 119.098 -0.028 1 1 722 . 16 1 1 A 62 62 GLU H H 60 8.064 7.715 0.349 1 1 723 . 16 1 1 A 62 62 GLU HA H 60 4.083 4.090 -0.007 1 1 728 . 16 1 1 A 62 62 GLU C C 60 179.051 178.425 0.626 1 1 729 . 16 1 1 A 62 62 GLU CA C 60 59.659 59.017 0.642 1 1 730 . 16 1 1 A 62 62 GLU CB C 60 30.457 29.532 0.925 1 1 732 . 16 1 1 A 62 62 GLU N N 60 117.166 120.345 -3.179 1 1 733 . 16 1 1 A 63 63 TYR H H 61 7.924 8.283 -0.359 1 1 734 . 16 1 1 A 63 63 TYR HA H 61 4.254 4.292 -0.038 1 1 741 . 16 1 1 A 63 63 TYR C C 61 178.617 177.566 1.051 1 1 742 . 16 1 1 A 63 63 TYR CA C 61 61.184 61.566 -0.382 1 1 743 . 16 1 1 A 63 63 TYR CB C 61 39.461 38.722 0.739 1 1 746 . 16 1 1 A 63 63 TYR N N 61 121.271 122.646 -1.375 1 1 747 . 16 1 1 A 64 64 LEU H H 62 8.260 9.060 -0.800 1 1 748 . 16 1 1 A 64 64 LEU HA H 62 3.954 3.987 -0.033 1 1 758 . 16 1 1 A 64 64 LEU C C 62 179.553 179.336 0.217 1 1 759 . 16 1 1 A 64 64 LEU CA C 62 58.014 58.223 -0.209 1 1 760 . 16 1 1 A 64 64 LEU CB C 62 42.191 41.258 0.933 1 1 764 . 16 1 1 A 64 64 LEU N N 62 116.299 120.349 -4.050 1 1 765 . 16 1 1 A 65 65 GLU H H 63 8.454 8.244 0.210 1 1 766 . 16 1 1 A 65 65 GLU HA H 63 3.840 3.918 -0.078 1 1 771 . 16 1 1 A 65 65 GLU C C 63 179.279 178.801 0.478 1 1 772 . 16 1 1 A 65 65 GLU CA C 63 60.301 59.860 0.441 1 1 773 . 16 1 1 A 65 65 GLU CB C 63 29.870 29.237 0.633 1 1 775 . 16 1 1 A 65 65 GLU N N 63 118.616 119.433 -0.817 1 1 776 . 16 1 1 A 66 66 LYS H H 64 7.575 7.706 -0.131 1 1 777 . 16 1 1 A 66 66 LYS HA H 64 4.212 4.084 0.128 1 1 786 . 16 1 1 A 66 66 LYS C C 64 178.457 178.403 0.054 1 1 787 . 16 1 1 A 66 66 LYS CA C 64 58.496 58.742 -0.246 1 1 788 . 16 1 1 A 66 66 LYS CB C 64 32.400 31.918 0.482 1 1 792 . 16 1 1 A 66 66 LYS N N 64 117.166 117.989 -0.823 1 1 793 . 16 1 1 A 67 67 CYS H H 65 7.918 7.631 0.287 1 1 794 . 16 1 1 A 67 67 CYS HA H 65 4.526 4.308 0.218 1 1 797 . 16 1 1 A 67 67 CYS C C 65 174.893 177.163 -2.270 1 1 798 . 16 1 1 A 67 67 CYS CA C 65 56.329 60.561 -4.232 1 1 799 . 16 1 1 A 67 67 CYS CB C 65 45.235 27.652 17.583 1 1 800 . 16 1 1 A 67 67 CYS N N 65 115.330 118.886 -3.556 1 1 801 . 16 1 1 A 68 68 LEU H H 66 7.559 7.585 -0.026 1 1 802 . 16 1 1 A 68 68 LEU HA H 66 4.490 4.045 0.445 1 1 812 . 16 1 1 A 68 68 LEU C C 66 176.812 177.708 -0.896 1 1 813 . 16 1 1 A 68 68 LEU CA C 66 55.366 57.942 -2.576 1 1 814 . 16 1 1 A 68 68 LEU CB C 66 43.278 42.160 1.118 1 1 818 . 16 1 1 A 68 68 LEU N N 66 120.930 122.351 -1.421 1 1 819 . 16 1 1 A 69 69 ASN H H 67 8.265 7.718 0.547 1 1 820 . 16 1 1 A 69 69 ASN HA H 67 4.669 4.983 -0.314 1 1 825 . 16 1 1 A 69 69 ASN CA C 67 53.761 54.437 -0.676 1 1 826 . 16 1 1 A 69 69 ASN CB C 67 39.069 41.044 -1.975 1 1 827 . 16 1 1 A 69 69 ASN N N 67 120.279 116.021 4.258 1 1 852 . 16 2 2 B 4 4 GLU H H 102 8.329 8.365 -0.036 1 1 853 . 16 2 2 B 4 4 GLU HA H 102 4.282 4.255 0.027 1 1 858 . 16 2 2 B 4 4 GLU C C 102 177.132 177.902 -0.770 1 1 859 . 16 2 2 B 4 4 GLU CA C 102 57.410 59.276 -1.866 1 1 861 . 16 2 2 B 4 4 GLU N N 102 121.884 117.949 3.935 1 1 862 . 16 2 2 B 5 5 GLY H H 103 8.335 8.020 0.315 1 1 863 . 16 2 2 B 5 5 GLY HA2 H 103 3.941 4.124 -0.183 1 1 864 . 16 2 2 B 5 5 GLY HA3 H 103 3.941 4.125 -0.184 1 1 865 . 16 2 2 B 5 5 GLY C C 103 174.207 174.727 -0.520 1 1 866 . 16 2 2 B 5 5 GLY CA C 103 45.731 45.993 -0.262 1 1 867 . 16 2 2 B 5 5 GLY N N 103 110.055 107.590 2.465 1 1 868 . 16 2 2 B 6 6 ILE H H 104 7.831 7.585 0.246 1 1 869 . 16 2 2 B 6 6 ILE HA H 104 4.269 4.103 0.166 1 1 879 . 16 2 2 B 6 6 ILE C C 104 176.401 176.152 0.249 1 1 880 . 16 2 2 B 6 6 ILE CA C 104 61.558 62.706 -1.148 1 1 881 . 16 2 2 B 6 6 ILE CB C 104 39.436 38.872 0.564 1 1 885 . 16 2 2 B 6 6 ILE N N 104 119.606 117.532 2.074 1 1 886 . 16 2 2 B 7 7 SER H H 105 8.324 7.896 0.428 1 1 887 . 16 2 2 B 7 7 SER HA H 105 4.535 4.647 -0.112 1 1 890 . 16 2 2 B 7 7 SER C C 105 174.550 173.488 1.062 1 1 891 . 16 2 2 B 7 7 SER CA C 105 58.667 58.223 0.444 1 1 892 . 16 2 2 B 7 7 SER CB C 105 64.072 62.166 1.906 1 1 893 . 16 2 2 B 7 7 SER N N 105 119.717 118.134 1.583 1 1 937 . 16 2 2 B 11 11 SER H H 109 8.211 8.609 -0.398 1 1 938 . 16 2 2 B 11 11 SER HA H 109 4.507 4.553 -0.046 1 1 941 . 16 2 2 B 11 11 SER C C 109 174.504 174.666 -0.162 1 1 942 . 16 2 2 B 11 11 SER CA C 109 58.919 58.620 0.299 1 1 943 . 16 2 2 B 11 11 SER CB C 109 64.198 63.958 0.240 1 1 944 . 16 2 2 B 11 11 SER N N 109 117.260 118.736 -1.476 1 1 945 . 16 2 2 B 12 12 ASP H H 110 8.323 8.011 0.312 1 1 946 . 16 2 2 B 12 12 ASP HA H 110 4.620 4.282 0.338 1 1 949 . 16 2 2 B 12 12 ASP C C 110 176.058 175.019 1.039 1 1 950 . 16 2 2 B 12 12 ASP CA C 110 55.022 55.287 -0.265 1 1 951 . 16 2 2 B 12 12 ASP CB C 110 41.825 39.259 2.566 1 1 952 . 16 2 2 B 12 12 ASP N N 110 122.020 118.968 3.052 1 1 986 . 16 2 2 B 16 16 GLU H H 114 8.378 8.418 -0.040 1 1 987 . 16 2 2 B 16 16 GLU HA H 114 4.268 4.496 -0.228 1 1 992 . 16 2 2 B 16 16 GLU C C 114 176.766 175.661 1.105 1 1 993 . 16 2 2 B 16 16 GLU CA C 114 57.410 55.956 1.454 1 1 994 . 16 2 2 B 16 16 GLU CB C 114 30.620 28.524 2.096 1 1 996 . 16 2 2 B 16 16 GLU N N 114 123.052 121.329 1.723 1 1 997 . 16 2 2 B 17 17 GLU H H 115 8.326 8.681 -0.355 1 1 998 . 16 2 2 B 17 17 GLU HA H 115 4.274 4.825 -0.551 1 1 1003 . 16 2 2 B 17 17 GLU C C 115 176.880 175.360 1.520 1 1 1004 . 16 2 2 B 17 17 GLU CA C 115 57.410 55.065 2.345 1 1 1005 . 16 2 2 B 17 17 GLU CB C 115 30.525 31.352 -0.827 1 1 1007 . 16 2 2 B 17 17 GLU N N 115 121.688 125.453 -3.765 1 1 1008 . 16 2 2 B 18 18 MET H H 116 8.309 8.768 -0.459 1 1 1009 . 16 2 2 B 18 18 MET HA H 116 4.473 4.855 -0.382 1 1 1014 . 16 2 2 B 18 18 MET C C 116 177.086 175.555 1.531 1 1 1015 . 16 2 2 B 18 18 MET CA C 116 56.279 53.913 2.366 1 1 1016 . 16 2 2 B 18 18 MET CB C 116 33.026 32.743 0.283 1 1 1017 . 16 2 2 B 18 18 MET N N 116 121.270 123.080 -1.810 1 1 1018 . 16 2 2 B 19 19 GLY H H 117 8.335 8.705 -0.370 1 1 1019 . 16 2 2 B 19 19 GLY HA2 H 117 4.054 3.978 0.076 1 1 1020 . 16 2 2 B 19 19 GLY HA3 H 117 4.054 3.979 0.075 1 1 1021 . 16 2 2 B 19 19 GLY C C 117 174.481 173.214 1.267 1 1 1022 . 16 2 2 B 19 19 GLY CA C 117 45.847 45.687 0.160 1 1 1023 . 16 2 2 B 19 19 GLY N N 117 110.055 114.636 -4.581 1 1 1024 . 16 2 2 B 20 20 SER H H 118 8.230 8.674 -0.444 1 1 1025 . 16 2 2 B 20 20 SER HA H 118 4.476 4.542 -0.066 1 1 1028 . 16 2 2 B 20 20 SER C C 118 175.327 173.790 1.537 1 1 1029 . 16 2 2 B 20 20 SER CA C 118 58.919 56.542 2.377 1 1 1030 . 16 2 2 B 20 20 SER CB C 118 64.575 65.138 -0.563 1 1 1031 . 16 2 2 B 20 20 SER N N 118 115.664 118.936 -3.272 1 1 1032 . 16 2 2 B 21 21 GLY H H 119 8.354 8.515 -0.161 1 1 1033 . 16 2 2 B 21 21 GLY HA2 H 119 3.941 4.336 -0.395 1 1 1034 . 16 2 2 B 21 21 GLY HA3 H 119 3.941 4.337 -0.396 1 1 1035 . 16 2 2 B 21 21 GLY C C 119 174.002 171.794 2.208 1 1 1036 . 16 2 2 B 21 21 GLY CA C 119 45.721 44.892 0.829 1 1 1037 . 16 2 2 B 21 21 GLY N N 119 110.872 110.002 0.870 1 1 1068 . 16 2 2 B 25 25 SER H H 123 8.155 8.158 -0.003 1 1 1069 . 16 2 2 B 25 25 SER HA H 123 4.391 4.326 0.065 1 1 1072 . 16 2 2 B 25 25 SER C C 123 175.075 173.831 1.244 1 1 1073 . 16 2 2 B 25 25 SER CA C 123 59.347 60.687 -1.340 1 1 1074 . 16 2 2 B 25 25 SER CB C 123 63.879 62.723 1.156 1 1 1075 . 16 2 2 B 25 25 SER N N 123 116.126 114.201 1.925 1 1 1076 . 16 2 2 B 26 26 MET H H 124 8.221 8.371 -0.150 1 1 1077 . 16 2 2 B 26 26 MET HA H 124 4.476 4.535 -0.059 1 1 1082 . 16 2 2 B 26 26 MET C C 124 176.355 175.283 1.072 1 1 1083 . 16 2 2 B 26 26 MET CA C 124 56.279 54.040 2.239 1 1 1084 . 16 2 2 B 26 26 MET CB C 124 32.900 31.412 1.488 1 1 1086 . 16 2 2 B 26 26 MET N N 124 121.210 120.244 0.966 1 1 1087 . 16 2 2 B 27 27 LYS H H 125 8.025 8.001 0.024 1 1 1088 . 16 2 2 B 27 27 LYS HA H 125 4.312 4.925 -0.613 1 1 1097 . 16 2 2 B 27 27 LYS C C 125 176.355 175.231 1.124 1 1 1098 . 16 2 2 B 27 27 LYS CA C 125 56.656 55.005 1.651 1 1 1099 . 16 2 2 B 27 27 LYS CB C 125 33.529 36.170 -2.641 1 1 1103 . 16 2 2 B 27 27 LYS N N 125 121.457 123.392 -1.935 1 1 1104 . 16 2 2 B 28 28 GLU H H 126 8.222 8.820 -0.598 1 1 1105 . 16 2 2 B 28 28 GLU N N 126 122.740 122.525 0.215 1 1 1106 . 16 2 2 B 29 29 PRO HA H 127 4.355 4.803 -0.448 1 1 1113 . 16 2 2 B 29 29 PRO C C 127 176.812 176.385 0.427 1 1 1114 . 16 2 2 B 29 29 PRO CA C 127 63.821 62.567 1.254 1 1 1115 . 16 2 2 B 29 29 PRO CB C 127 32.272 33.509 -1.237 1 1 1118 . 16 2 2 B 30 30 ALA H H 128 8.267 8.484 -0.217 1 1 1119 . 16 2 2 B 30 30 ALA HA H 128 4.269 4.612 -0.343 1 1 1123 . 16 2 2 B 30 30 ALA C C 128 177.589 177.522 0.067 1 1 1124 . 16 2 2 B 30 30 ALA CA C 128 52.873 51.260 1.613 1 1 1125 . 16 2 2 B 30 30 ALA CB C 128 19.703 19.852 -0.149 1 1 1126 . 16 2 2 B 30 30 ALA N N 128 123.577 122.243 1.334 1 1 1127 . 16 2 2 B 31 31 PHE H H 129 8.019 8.285 -0.266 1 1 1128 . 16 2 2 B 31 31 PHE HA H 129 4.621 4.440 0.181 1 1 1136 . 16 2 2 B 31 31 PHE C C 129 175.624 174.402 1.222 1 1 1137 . 16 2 2 B 31 31 PHE CA C 129 58.039 59.895 -1.856 1 1 1138 . 16 2 2 B 31 31 PHE CB C 129 40.055 38.775 1.280 1 1 1142 . 16 2 2 B 31 31 PHE N N 129 118.994 116.237 2.757 1 1 1143 . 16 2 2 B 32 32 ARG H H 130 8.029 8.093 -0.064 1 1 1144 . 16 2 2 B 32 32 ARG HA H 130 4.309 4.826 -0.517 1 1 1151 . 16 2 2 B 32 32 ARG C C 130 175.875 174.992 0.883 1 1 1152 . 16 2 2 B 32 32 ARG CA C 130 56.154 54.077 2.077 1 1 1153 . 16 2 2 B 32 32 ARG CB C 130 31.643 34.681 -3.038 1 1 1156 . 16 2 2 B 32 32 ARG N N 130 122.929 117.058 5.871 1 1 1157 . 16 2 2 B 33 33 GLU H H 131 8.374 8.720 -0.346 1 1 1158 . 16 2 2 B 33 33 GLU HA H 131 4.276 4.328 -0.052 1 1 1163 . 16 2 2 B 33 33 GLU C C 131 176.766 177.914 -1.148 1 1 1164 . 16 2 2 B 33 33 GLU CA C 131 57.285 56.814 0.471 1 1 1165 . 16 2 2 B 33 33 GLU CB C 131 30.512 30.018 0.494 1 1 1167 . 16 2 2 B 33 33 GLU N N 131 122.719 119.340 3.379 1 1 1168 . 16 2 2 B 34 34 GLU H H 132 8.509 8.958 -0.449 1 1 1169 . 16 2 2 B 34 34 GLU HA H 132 4.271 4.141 0.130 1 1 1174 . 16 2 2 B 34 34 GLU C C 132 176.560 176.239 0.321 1 1 1175 . 16 2 2 B 34 34 GLU CA C 132 57.400 58.417 -1.017 1 1 1176 . 16 2 2 B 34 34 GLU CB C 132 30.530 29.268 1.262 1 1 1178 . 16 2 2 B 34 34 GLU N N 132 122.122 121.472 0.650 1 1 1179 . 16 2 2 B 35 35 ASN H H 133 8.362 7.820 0.542 1 1 1180 . 16 2 2 B 35 35 ASN HA H 133 4.693 5.032 -0.339 1 1 1183 . 16 2 2 B 35 35 ASN C C 133 175.258 173.702 1.556 1 1 1184 . 16 2 2 B 35 35 ASN CA C 133 53.765 52.124 1.641 1 1 1185 . 16 2 2 B 35 35 ASN CB C 133 39.562 40.053 -0.491 1 1 1186 . 16 2 2 B 35 35 ASN N N 133 119.552 117.865 1.687 1 1 1187 . 16 2 2 B 36 36 ALA H H 134 8.155 8.696 -0.541 1 1 1188 . 16 2 2 B 36 36 ALA HA H 134 4.265 4.086 0.179 1 1 1192 . 16 2 2 B 36 36 ALA C C 134 177.520 176.210 1.310 1 1 1193 . 16 2 2 B 36 36 ALA CA C 134 52.873 51.855 1.018 1 1 1194 . 16 2 2 B 36 36 ALA CB C 134 19.703 18.225 1.478 1 1 1195 . 16 2 2 B 36 36 ALA N N 134 124.376 129.192 -4.816 1 1 1196 . 16 2 2 B 37 37 ASN H H 135 8.210 8.219 -0.009 1 1 1197 . 16 2 2 B 37 37 ASN HA H 135 4.688 5.164 -0.476 1 1 1200 . 16 2 2 B 37 37 ASN C C 135 175.144 173.486 1.658 1 1 1201 . 16 2 2 B 37 37 ASN CA C 135 53.640 51.703 1.937 1 1 1202 . 16 2 2 B 37 37 ASN CB C 135 39.311 40.417 -1.106 1 1 1203 . 16 2 2 B 37 37 ASN N N 135 117.103 123.104 -6.001 1 1 1204 . 16 2 2 B 38 38 PHE H H 136 7.997 9.000 -1.003 1 1 1205 . 16 2 2 B 38 38 PHE HA H 136 4.623 5.191 -0.568 1 1 1212 . 16 2 2 B 38 38 PHE C C 136 175.601 174.838 0.763 1 1 1213 . 16 2 2 B 38 38 PHE CA C 136 58.165 56.414 1.751 1 1 1214 . 16 2 2 B 38 38 PHE CB C 136 39.939 39.931 0.008 1 1 1217 . 16 2 2 B 38 38 PHE N N 136 120.229 126.464 -6.235 1 1 1218 . 16 2 2 B 39 39 ASN H H 137 8.272 8.976 -0.704 1 1 1219 . 16 2 2 B 39 39 ASN HA H 137 4.702 5.488 -0.786 1 1 1222 . 16 2 2 B 39 39 ASN C C 137 174.047 173.590 0.457 1 1 1223 . 16 2 2 B 39 39 ASN CA C 137 53.891 52.779 1.112 1 1 1224 . 16 2 2 B 39 39 ASN CB C 137 39.688 40.651 -0.963 1 1 1225 . 16 2 2 B 39 39 ASN N N 137 120.594 120.592 0.002 1 1 3 . 17 1 1 A 4 4 PRO HA H 2 4.510 4.554 -0.044 1 1 10 . 17 1 1 A 4 4 PRO C C 2 177.132 175.190 1.942 1 1 11 . 17 1 1 A 4 4 PRO CA C 2 63.529 63.599 -0.070 1 1 12 . 17 1 1 A 4 4 PRO CB C 2 32.476 31.961 0.515 1 1 15 . 17 1 1 A 5 5 VAL H H 3 8.201 7.462 0.739 1 1 16 . 17 1 1 A 5 5 VAL HA H 3 4.140 4.648 -0.508 1 1 24 . 17 1 1 A 5 5 VAL C C 3 176.423 175.260 1.163 1 1 25 . 17 1 1 A 5 5 VAL CA C 3 62.873 59.905 2.968 1 1 26 . 17 1 1 A 5 5 VAL CB C 3 33.455 33.523 -0.068 1 1 28 . 17 1 1 A 5 5 VAL N N 3 120.488 117.130 3.358 1 1 29 . 17 1 1 A 6 6 SER H H 4 8.276 8.818 -0.542 1 1 30 . 17 1 1 A 6 6 SER HA H 4 4.487 5.035 -0.548 1 1 33 . 17 1 1 A 6 6 SER C C 4 174.687 172.883 1.804 1 1 34 . 17 1 1 A 6 6 SER CA C 4 58.375 56.996 1.379 1 1 35 . 17 1 1 A 6 6 SER CB C 4 64.295 66.055 -1.760 1 1 36 . 17 1 1 A 6 6 SER N N 4 119.000 118.430 0.570 1 1 37 . 17 1 1 A 7 7 LEU H H 5 8.238 8.627 -0.389 1 1 38 . 17 1 1 A 7 7 LEU HA H 5 4.397 4.677 -0.280 1 1 44 . 17 1 1 A 7 7 LEU C C 5 177.406 175.658 1.748 1 1 45 . 17 1 1 A 7 7 LEU CA C 5 55.766 54.382 1.384 1 1 46 . 17 1 1 A 7 7 LEU CB C 5 43.132 40.697 2.435 1 1 48 . 17 1 1 A 7 7 LEU N N 5 124.704 124.420 0.284 1 1 49 . 17 1 1 A 8 8 SER H H 6 8.148 8.116 0.032 1 1 50 . 17 1 1 A 8 8 SER HA H 6 4.438 5.027 -0.589 1 1 53 . 17 1 1 A 8 8 SER C C 6 174.321 172.244 2.077 1 1 54 . 17 1 1 A 8 8 SER CA C 6 58.718 57.738 0.980 1 1 55 . 17 1 1 A 8 8 SER CB C 6 64.295 67.028 -2.733 1 1 56 . 17 1 1 A 8 8 SER N N 6 115.960 119.154 -3.194 1 1 57 . 17 1 1 A 9 9 TYR H H 7 7.915 8.722 -0.807 1 1 58 . 17 1 1 A 9 9 TYR HA H 7 4.585 4.806 -0.221 1 1 65 . 17 1 1 A 9 9 TYR C C 7 175.532 175.409 0.123 1 1 66 . 17 1 1 A 9 9 TYR CA C 7 58.335 56.986 1.349 1 1 67 . 17 1 1 A 9 9 TYR CB C 7 39.474 37.770 1.704 1 1 70 . 17 1 1 A 9 9 TYR N N 7 121.884 121.080 0.804 1 1 71 . 17 1 1 A 10 10 ARG H H 8 8.117 8.720 -0.603 1 1 72 . 17 1 1 A 10 10 ARG HA H 8 4.337 4.860 -0.523 1 1 79 . 17 1 1 A 10 10 ARG C C 8 175.898 175.033 0.865 1 1 80 . 17 1 1 A 10 10 ARG CA C 8 56.048 54.902 1.146 1 1 81 . 17 1 1 A 10 10 ARG CB C 8 31.492 31.753 -0.261 1 1 84 . 17 1 1 A 10 10 ARG N N 8 121.977 124.802 -2.825 1 1 85 . 17 1 1 A 11 11 CYS H H 9 8.127 8.219 -0.092 1 1 86 . 17 1 1 A 11 11 CYS HA H 9 4.984 5.126 -0.142 1 1 89 . 17 1 1 A 11 11 CYS C C 9 177.771 173.738 4.033 1 1 90 . 17 1 1 A 11 11 CYS CA C 9 53.192 52.788 0.404 1 1 91 . 17 1 1 A 11 11 CYS CB C 9 40.897 45.567 -4.670 1 1 92 . 17 1 1 A 11 11 CYS N N 9 121.209 119.057 2.152 1 1 93 . 17 1 1 A 12 12 PRO HA H 10 4.321 4.295 0.026 1 1 100 . 17 1 1 A 12 12 PRO CA C 10 65.478 65.400 0.078 1 1 101 . 17 1 1 A 12 12 PRO CB C 10 32.904 31.342 1.562 1 1 104 . 17 1 1 A 13 13 CYS H H 11 8.633 8.092 0.541 1 1 105 . 17 1 1 A 13 13 CYS C C 11 174.618 173.452 1.166 1 1 106 . 17 1 1 A 13 13 CYS N N 11 114.595 116.854 -2.259 1 1 107 . 17 1 1 A 14 14 ARG H H 12 8.236 8.891 -0.655 1 1 108 . 17 1 1 A 14 14 ARG HA H 12 4.067 4.245 -0.178 1 1 115 . 17 1 1 A 14 14 ARG C C 12 175.098 175.260 -0.162 1 1 116 . 17 1 1 A 14 14 ARG CA C 12 57.370 56.866 0.504 1 1 117 . 17 1 1 A 14 14 ARG CB C 12 31.631 31.301 0.330 1 1 120 . 17 1 1 A 14 14 ARG N N 12 122.779 125.088 -2.309 1 1 121 . 17 1 1 A 15 15 PHE H H 13 7.571 7.819 -0.248 1 1 122 . 17 1 1 A 15 15 PHE HA H 13 4.510 5.085 -0.575 1 1 129 . 17 1 1 A 15 15 PHE C C 13 174.162 174.943 -0.781 1 1 130 . 17 1 1 A 15 15 PHE CA C 13 56.289 56.348 -0.059 1 1 131 . 17 1 1 A 15 15 PHE CB C 13 41.320 41.542 -0.222 1 1 134 . 17 1 1 A 15 15 PHE N N 13 116.797 116.378 0.419 1 1 135 . 17 1 1 A 16 16 PHE H H 14 8.084 8.584 -0.500 1 1 136 . 17 1 1 A 16 16 PHE HA H 14 4.767 5.979 -1.212 1 1 143 . 17 1 1 A 16 16 PHE C C 14 175.441 173.635 1.806 1 1 144 . 17 1 1 A 16 16 PHE CA C 14 55.767 55.317 0.450 1 1 145 . 17 1 1 A 16 16 PHE CB C 14 41.320 42.712 -1.392 1 1 148 . 17 1 1 A 16 16 PHE N N 14 118.930 117.631 1.299 1 1 149 . 17 1 1 A 17 17 GLU H H 15 8.815 9.844 -1.029 1 1 150 . 17 1 1 A 17 17 GLU HA H 15 4.579 4.519 0.060 1 1 155 . 17 1 1 A 17 17 GLU C C 15 176.857 175.905 0.952 1 1 156 . 17 1 1 A 17 17 GLU CA C 15 56.289 56.440 -0.151 1 1 157 . 17 1 1 A 17 17 GLU CB C 15 31.173 30.755 0.418 1 1 159 . 17 1 1 A 17 17 GLU N N 15 122.929 122.172 0.757 1 1 160 . 17 1 1 A 18 18 SER H H 16 8.751 8.752 -0.001 1 1 161 . 17 1 1 A 18 18 SER HA H 16 4.762 4.759 0.003 1 1 164 . 17 1 1 A 18 18 SER C C 16 177.497 174.070 3.427 1 1 165 . 17 1 1 A 18 18 SER CA C 16 59.328 59.703 -0.375 1 1 166 . 17 1 1 A 18 18 SER CB C 16 64.515 65.163 -0.648 1 1 167 . 17 1 1 A 18 18 SER N N 16 118.860 117.556 1.304 1 1 168 . 17 1 1 A 19 19 HIS H H 17 8.761 8.171 0.590 1 1 169 . 17 1 1 A 19 19 HIS HA H 17 4.832 4.792 0.040 1 1 174 . 17 1 1 A 19 19 HIS C C 17 174.618 173.916 0.702 1 1 175 . 17 1 1 A 19 19 HIS CA C 17 56.449 54.932 1.517 1 1 176 . 17 1 1 A 19 19 HIS CB C 17 30.214 27.784 2.430 1 1 179 . 17 1 1 A 19 19 HIS N N 17 120.535 117.381 3.154 1 1 180 . 17 1 1 A 20 20 VAL H H 18 7.085 8.922 -1.837 1 1 181 . 17 1 1 A 20 20 VAL HA H 18 4.160 4.865 -0.705 1 1 189 . 17 1 1 A 20 20 VAL C C 18 174.436 173.788 0.648 1 1 190 . 17 1 1 A 20 20 VAL CA C 18 62.167 59.994 2.173 1 1 191 . 17 1 1 A 20 20 VAL CB C 18 34.426 35.850 -1.424 1 1 193 . 17 1 1 A 20 20 VAL N N 18 120.872 123.826 -2.954 1 1 194 . 17 1 1 A 21 21 ALA H H 19 8.521 8.436 0.085 1 1 195 . 17 1 1 A 21 21 ALA HA H 19 4.367 4.491 -0.124 1 1 199 . 17 1 1 A 21 21 ALA C C 19 177.657 178.155 -0.498 1 1 200 . 17 1 1 A 21 21 ALA CA C 19 51.193 50.450 0.743 1 1 201 . 17 1 1 A 21 21 ALA CB C 19 19.790 20.286 -0.496 1 1 202 . 17 1 1 A 21 21 ALA N N 19 131.339 127.928 3.411 1 1 203 . 17 1 1 A 22 22 ARG H H 20 7.790 8.160 -0.370 1 1 204 . 17 1 1 A 22 22 ARG HA H 20 2.451 3.358 -0.907 1 1 211 . 17 1 1 A 22 22 ARG C C 20 178.365 176.916 1.449 1 1 212 . 17 1 1 A 22 22 ARG CA C 20 59.379 57.567 1.812 1 1 213 . 17 1 1 A 22 22 ARG CB C 20 29.572 29.178 0.394 1 1 216 . 17 1 1 A 22 22 ARG N N 20 124.365 122.934 1.431 1 1 217 . 17 1 1 A 23 23 ALA H H 21 8.120 7.443 0.677 1 1 218 . 17 1 1 A 23 23 ALA HA H 21 4.060 4.139 -0.079 1 1 222 . 17 1 1 A 23 23 ALA C C 21 178.000 178.198 -0.198 1 1 223 . 17 1 1 A 23 23 ALA CA C 21 54.100 53.350 0.750 1 1 224 . 17 1 1 A 23 23 ALA CB C 21 18.713 18.534 0.179 1 1 225 . 17 1 1 A 23 23 ALA N N 21 117.156 121.971 -4.815 1 1 226 . 17 1 1 A 24 24 ASN H H 22 7.707 7.957 -0.250 1 1 227 . 17 1 1 A 24 24 ASN HA H 22 5.010 4.756 0.254 1 1 232 . 17 1 1 A 24 24 ASN C C 22 174.938 174.848 0.090 1 1 233 . 17 1 1 A 24 24 ASN CA C 22 52.869 53.373 -0.504 1 1 234 . 17 1 1 A 24 24 ASN CB C 22 40.573 39.477 1.096 1 1 235 . 17 1 1 A 24 24 ASN N N 22 112.819 115.252 -2.433 1 1 237 . 17 1 1 A 25 25 VAL H H 23 7.489 7.347 0.142 1 1 238 . 17 1 1 A 25 25 VAL HA H 23 4.888 4.225 0.663 1 1 246 . 17 1 1 A 25 25 VAL C C 23 175.829 175.609 0.220 1 1 247 . 17 1 1 A 25 25 VAL CA C 23 59.870 60.574 -0.704 1 1 248 . 17 1 1 A 25 25 VAL CB C 23 35.396 33.322 2.074 1 1 251 . 17 1 1 A 25 25 VAL N N 23 119.721 117.073 2.648 1 1 252 . 17 1 1 A 26 26 LYS H H 24 9.480 9.494 -0.014 1 1 253 . 17 1 1 A 26 26 LYS HA H 24 4.353 4.335 0.018 1 1 262 . 17 1 1 A 26 26 LYS C C 24 176.606 176.333 0.273 1 1 263 . 17 1 1 A 26 26 LYS CA C 24 58.977 57.085 1.892 1 1 264 . 17 1 1 A 26 26 LYS CB C 24 34.567 33.320 1.247 1 1 268 . 17 1 1 A 26 26 LYS N N 24 127.843 122.882 4.961 1 1 269 . 17 1 1 A 27 27 HIS H H 25 7.237 7.577 -0.340 1 1 270 . 17 1 1 A 27 27 HIS HA H 25 4.979 4.952 0.027 1 1 275 . 17 1 1 A 27 27 HIS C C 25 178.434 172.424 6.010 1 1 276 . 17 1 1 A 27 27 HIS CA C 25 55.406 54.674 0.732 1 1 277 . 17 1 1 A 27 27 HIS CB C 25 32.480 31.215 1.265 1 1 280 . 17 1 1 A 27 27 HIS N N 25 109.556 114.971 -5.415 1 1 281 . 17 1 1 A 28 28 LEU H H 26 8.189 8.788 -0.599 1 1 282 . 17 1 1 A 28 28 LEU HA H 26 5.190 5.175 0.015 1 1 292 . 17 1 1 A 28 28 LEU C C 26 175.510 175.485 0.025 1 1 293 . 17 1 1 A 28 28 LEU CA C 26 53.480 53.461 0.019 1 1 294 . 17 1 1 A 28 28 LEU CB C 26 45.235 45.614 -0.379 1 1 298 . 17 1 1 A 28 28 LEU N N 26 117.260 119.938 -2.678 1 1 299 . 17 1 1 A 29 29 LYS H H 27 9.572 9.131 0.441 1 1 300 . 17 1 1 A 29 29 LYS HA H 27 5.372 5.233 0.139 1 1 309 . 17 1 1 A 29 29 LYS C C 27 174.801 174.550 0.251 1 1 310 . 17 1 1 A 29 29 LYS CA C 27 55.165 54.808 0.357 1 1 311 . 17 1 1 A 29 29 LYS CB C 27 35.253 35.833 -0.580 1 1 315 . 17 1 1 A 29 29 LYS N N 27 123.488 123.237 0.251 1 1 316 . 17 1 1 A 30 30 ILE H H 28 9.136 8.926 0.210 1 1 317 . 17 1 1 A 30 30 ILE HA H 28 4.924 5.024 -0.100 1 1 327 . 17 1 1 A 30 30 ILE C C 28 176.949 174.913 2.036 1 1 328 . 17 1 1 A 30 30 ILE CA C 28 60.542 59.460 1.082 1 1 329 . 17 1 1 A 30 30 ILE CB C 28 39.600 38.882 0.718 1 1 333 . 17 1 1 A 30 30 ILE N N 28 123.846 127.599 -3.753 1 1 334 . 17 1 1 A 31 31 LEU H H 29 8.805 9.279 -0.474 1 1 335 . 17 1 1 A 31 31 LEU HA H 29 4.535 4.906 -0.371 1 1 344 . 17 1 1 A 31 31 LEU C C 29 176.012 174.962 1.050 1 1 345 . 17 1 1 A 31 31 LEU CA C 29 55.366 53.959 1.407 1 1 346 . 17 1 1 A 31 31 LEU CB C 29 43.180 43.504 -0.324 1 1 349 . 17 1 1 A 31 31 LEU N N 29 128.649 127.571 1.078 1 1 350 . 17 1 1 A 32 32 ASN H H 30 8.216 9.024 -0.808 1 1 351 . 17 1 1 A 32 32 ASN HA H 30 5.005 5.097 -0.092 1 1 356 . 17 1 1 A 32 32 ASN C C 30 174.664 175.215 -0.551 1 1 357 . 17 1 1 A 32 32 ASN CA C 30 52.517 52.486 0.031 1 1 358 . 17 1 1 A 32 32 ASN CB C 30 38.776 39.614 -0.838 1 1 359 . 17 1 1 A 32 32 ASN N N 30 120.791 124.294 -3.503 1 1 361 . 17 1 1 A 33 33 THR H H 31 7.883 8.346 -0.463 1 1 362 . 17 1 1 A 33 33 THR HA H 31 4.842 5.001 -0.159 1 1 367 . 17 1 1 A 33 33 THR CA C 31 58.369 58.595 -0.226 1 1 368 . 17 1 1 A 33 33 THR CB C 31 70.018 69.759 0.259 1 1 370 . 17 1 1 A 33 33 THR N N 31 115.811 117.487 -1.676 1 1 371 . 17 1 1 A 34 34 PRO HA H 32 4.317 4.610 -0.293 1 1 378 . 17 1 1 A 34 34 PRO CA C 32 65.164 63.834 1.330 1 1 379 . 17 1 1 A 34 34 PRO CB C 32 32.484 32.532 -0.048 1 1 382 . 17 1 1 A 35 35 ASN H H 33 8.259 8.405 -0.146 1 1 383 . 17 1 1 A 35 35 ASN HA H 33 4.651 5.089 -0.438 1 1 388 . 17 1 1 A 35 35 ASN C C 33 174.710 174.523 0.187 1 1 389 . 17 1 1 A 35 35 ASN CA C 33 54.532 54.600 -0.068 1 1 390 . 17 1 1 A 35 35 ASN CB C 33 39.167 39.831 -0.664 1 1 391 . 17 1 1 A 35 35 ASN N N 33 120.081 114.967 5.114 1 1 393 . 17 1 1 A 36 36 CYS H H 34 7.569 7.407 0.162 1 1 394 . 17 1 1 A 36 36 CYS HA H 34 4.675 4.979 -0.304 1 1 397 . 17 1 1 A 36 36 CYS C C 34 173.865 173.899 -0.034 1 1 398 . 17 1 1 A 36 36 CYS CA C 34 55.447 54.696 0.751 1 1 399 . 17 1 1 A 36 36 CYS CB C 34 45.228 46.308 -1.080 1 1 400 . 17 1 1 A 36 36 CYS N N 34 117.076 115.143 1.933 1 1 401 . 17 1 1 A 37 37 ALA H H 35 8.472 8.475 -0.003 1 1 402 . 17 1 1 A 37 37 ALA HA H 35 4.223 4.145 0.078 1 1 406 . 17 1 1 A 37 37 ALA C C 35 176.423 177.205 -0.782 1 1 407 . 17 1 1 A 37 37 ALA CA C 35 53.537 54.659 -1.122 1 1 408 . 17 1 1 A 37 37 ALA CB C 35 19.202 19.422 -0.220 1 1 409 . 17 1 1 A 37 37 ALA N N 35 125.153 124.242 0.911 1 1 410 . 17 1 1 A 38 38 CYS H H 36 8.316 7.510 0.806 1 1 411 . 17 1 1 A 38 38 CYS HA H 36 4.196 4.703 -0.507 1 1 414 . 17 1 1 A 38 38 CYS C C 36 173.705 172.257 1.448 1 1 415 . 17 1 1 A 38 38 CYS CA C 36 58.616 58.479 0.137 1 1 416 . 17 1 1 A 38 38 CYS CB C 36 45.705 30.718 14.987 1 1 417 . 17 1 1 A 38 38 CYS N N 36 118.837 113.172 5.665 1 1 418 . 17 1 1 A 39 39 GLN H H 37 8.928 8.628 0.300 1 1 419 . 17 1 1 A 39 39 GLN HA H 37 4.596 4.874 -0.278 1 1 426 . 17 1 1 A 39 39 GLN C C 37 173.636 173.614 0.022 1 1 427 . 17 1 1 A 39 39 GLN CA C 37 54.603 54.938 -0.335 1 1 428 . 17 1 1 A 39 39 GLN CB C 37 31.761 32.276 -0.515 1 1 430 . 17 1 1 A 39 39 GLN N N 37 128.567 124.040 4.527 1 1 432 . 17 1 1 A 40 40 ILE H H 38 8.851 8.706 0.145 1 1 433 . 17 1 1 A 40 40 ILE HA H 38 5.087 5.022 0.065 1 1 443 . 17 1 1 A 40 40 ILE C C 38 174.390 174.566 -0.176 1 1 444 . 17 1 1 A 40 40 ILE CA C 38 60.582 60.044 0.538 1 1 445 . 17 1 1 A 40 40 ILE CB C 38 40.048 40.523 -0.475 1 1 449 . 17 1 1 A 40 40 ILE N N 38 123.962 126.544 -2.582 1 1 450 . 17 1 1 A 41 41 VAL H H 39 9.090 9.580 -0.490 1 1 451 . 17 1 1 A 41 41 VAL HA H 39 4.822 4.791 0.031 1 1 459 . 17 1 1 A 41 41 VAL C C 39 175.487 175.034 0.453 1 1 460 . 17 1 1 A 41 41 VAL CA C 39 59.980 61.282 -1.302 1 1 461 . 17 1 1 A 41 41 VAL CB C 39 35.868 33.410 2.458 1 1 464 . 17 1 1 A 41 41 VAL N N 39 126.354 129.207 -2.853 1 1 465 . 17 1 1 A 42 42 ALA H H 40 9.513 9.544 -0.031 1 1 466 . 17 1 1 A 42 42 ALA HA H 40 5.137 5.189 -0.052 1 1 470 . 17 1 1 A 42 42 ALA C C 40 175.944 175.701 0.243 1 1 471 . 17 1 1 A 42 42 ALA CA C 40 50.591 50.349 0.242 1 1 472 . 17 1 1 A 42 42 ALA CB C 40 22.432 22.492 -0.060 1 1 473 . 17 1 1 A 42 42 ALA N N 40 128.406 129.105 -0.699 1 1 474 . 17 1 1 A 43 43 ARG H H 41 7.720 8.381 -0.661 1 1 475 . 17 1 1 A 43 43 ARG HA H 41 4.959 4.644 0.315 1 1 482 . 17 1 1 A 43 43 ARG C C 41 175.510 175.756 -0.246 1 1 483 . 17 1 1 A 43 43 ARG CA C 41 54.162 55.397 -1.235 1 1 484 . 17 1 1 A 43 43 ARG CB C 41 31.200 31.491 -0.291 1 1 487 . 17 1 1 A 43 43 ARG N N 41 121.795 122.422 -0.627 1 1 488 . 17 1 1 A 44 44 LEU H H 42 9.164 8.696 0.468 1 1 489 . 17 1 1 A 44 44 LEU HA H 42 5.021 4.560 0.461 1 1 499 . 17 1 1 A 44 44 LEU C C 42 177.840 177.356 0.484 1 1 500 . 17 1 1 A 44 44 LEU CA C 42 54.724 54.476 0.248 1 1 501 . 17 1 1 A 44 44 LEU CB C 42 41.712 42.169 -0.457 1 1 505 . 17 1 1 A 44 44 LEU N N 42 129.087 124.241 4.846 1 1 506 . 17 1 1 A 45 45 LYS H H 43 8.396 8.706 -0.310 1 1 507 . 17 1 1 A 45 45 LYS HA H 43 3.950 4.327 -0.377 1 1 516 . 17 1 1 A 45 45 LYS CA C 43 59.016 56.277 2.739 1 1 517 . 17 1 1 A 45 45 LYS CB C 43 34.102 33.133 0.969 1 1 520 . 17 1 1 A 45 45 LYS N N 43 119.674 121.338 -1.664 1 1 521 . 17 1 1 A 48 48 ASN HA H 46 4.709 4.312 0.397 1 1 526 . 17 1 1 A 48 48 ASN C C 46 175.098 174.131 0.967 1 1 527 . 17 1 1 A 48 48 ASN CA C 46 54.764 55.526 -0.762 1 1 528 . 17 1 1 A 48 48 ASN CB C 46 39.265 36.996 2.269 1 1 530 . 17 1 1 A 49 49 ARG H H 47 7.923 7.555 0.368 1 1 531 . 17 1 1 A 49 49 ARG HA H 47 4.368 4.631 -0.263 1 1 538 . 17 1 1 A 49 49 ARG C C 47 175.601 174.187 1.414 1 1 539 . 17 1 1 A 49 49 ARG CA C 47 57.051 54.722 2.329 1 1 540 . 17 1 1 A 49 49 ARG CB C 47 32.121 32.292 -0.171 1 1 543 . 17 1 1 A 49 49 ARG N N 47 119.826 112.808 7.018 1 1 544 . 17 1 1 A 50 50 GLN H H 48 8.547 8.456 0.091 1 1 545 . 17 1 1 A 50 50 GLN HA H 48 5.441 4.908 0.533 1 1 552 . 17 1 1 A 50 50 GLN C C 48 175.578 175.312 0.266 1 1 553 . 17 1 1 A 50 50 GLN CA C 48 55.125 54.938 0.187 1 1 554 . 17 1 1 A 50 50 GLN CB C 48 32.121 29.861 2.260 1 1 556 . 17 1 1 A 50 50 GLN N N 48 120.767 119.305 1.462 1 1 558 . 17 1 1 A 51 51 VAL H H 49 8.630 9.155 -0.525 1 1 559 . 17 1 1 A 51 51 VAL HA H 49 4.826 4.928 -0.102 1 1 567 . 17 1 1 A 51 51 VAL C C 49 175.258 174.190 1.068 1 1 568 . 17 1 1 A 51 51 VAL CA C 49 59.338 59.914 -0.576 1 1 569 . 17 1 1 A 51 51 VAL CB C 49 36.155 34.214 1.941 1 1 572 . 17 1 1 A 51 51 VAL N N 49 116.678 117.191 -0.513 1 1 573 . 17 1 1 A 52 52 CYS H H 50 9.095 9.231 -0.136 1 1 574 . 17 1 1 A 52 52 CYS HA H 50 5.278 5.670 -0.392 1 1 577 . 17 1 1 A 52 52 CYS C C 50 174.527 173.182 1.345 1 1 578 . 17 1 1 A 52 52 CYS CA C 50 58.054 54.367 3.687 1 1 579 . 17 1 1 A 52 52 CYS CB C 50 43.162 44.459 -1.297 1 1 580 . 17 1 1 A 52 52 CYS N N 50 124.549 119.867 4.682 1 1 581 . 17 1 1 A 53 53 ILE H H 51 8.485 9.465 -0.980 1 1 582 . 17 1 1 A 53 53 ILE HA H 51 4.973 5.243 -0.270 1 1 592 . 17 1 1 A 53 53 ILE C C 51 173.019 174.664 -1.645 1 1 593 . 17 1 1 A 53 53 ILE CA C 51 58.897 58.983 -0.086 1 1 594 . 17 1 1 A 53 53 ILE CB C 51 42.201 41.085 1.116 1 1 598 . 17 1 1 A 53 53 ILE N N 51 122.581 120.810 1.771 1 1 599 . 17 1 1 A 54 54 ASP H H 52 7.661 8.350 -0.689 1 1 600 . 17 1 1 A 54 54 ASP HA H 52 3.611 4.578 -0.967 1 1 603 . 17 1 1 A 54 54 ASP CA C 52 51.574 51.747 -0.173 1 1 604 . 17 1 1 A 54 54 ASP CB C 52 42.515 41.770 0.745 1 1 605 . 17 1 1 A 54 54 ASP N N 52 125.772 124.292 1.480 1 1 606 . 17 1 1 A 55 55 PRO HA H 53 4.010 4.404 -0.394 1 1 613 . 17 1 1 A 55 55 PRO C C 53 176.126 176.339 -0.213 1 1 614 . 17 1 1 A 55 55 PRO CA C 53 63.993 64.104 -0.111 1 1 615 . 17 1 1 A 55 55 PRO CB C 53 33.002 31.623 1.379 1 1 618 . 17 1 1 A 56 56 LYS H H 54 7.930 7.987 -0.057 1 1 619 . 17 1 1 A 56 56 LYS HA H 54 3.988 4.378 -0.390 1 1 628 . 17 1 1 A 56 56 LYS C C 54 177.931 175.692 2.239 1 1 629 . 17 1 1 A 56 56 LYS CA C 54 56.770 55.749 1.021 1 1 630 . 17 1 1 A 56 56 LYS CB C 54 32.023 33.114 -1.091 1 1 634 . 17 1 1 A 56 56 LYS N N 54 112.924 116.234 -3.310 1 1 635 . 17 1 1 A 57 57 LEU H H 55 7.161 7.124 0.037 1 1 636 . 17 1 1 A 57 57 LEU HA H 55 4.059 3.985 0.074 1 1 646 . 17 1 1 A 57 57 LEU C C 55 179.416 177.646 1.770 1 1 647 . 17 1 1 A 57 57 LEU CA C 55 56.088 55.874 0.214 1 1 648 . 17 1 1 A 57 57 LEU CB C 55 42.191 43.751 -1.560 1 1 652 . 17 1 1 A 57 57 LEU N N 55 120.593 123.514 -2.921 1 1 653 . 17 1 1 A 58 58 LYS H H 56 8.720 9.001 -0.281 1 1 654 . 17 1 1 A 58 58 LYS HA H 56 3.911 3.850 0.061 1 1 663 . 17 1 1 A 58 58 LYS C C 56 178.937 178.135 0.802 1 1 664 . 17 1 1 A 58 58 LYS CA C 56 60.301 59.874 0.427 1 1 665 . 17 1 1 A 58 58 LYS CB C 56 32.121 32.307 -0.186 1 1 669 . 17 1 1 A 58 58 LYS N N 56 125.479 126.344 -0.865 1 1 670 . 17 1 1 A 59 59 TRP H H 57 7.811 8.315 -0.504 1 1 671 . 17 1 1 A 59 59 TRP HA H 57 4.664 4.545 0.119 1 1 680 . 17 1 1 A 59 59 TRP C C 57 178.868 179.519 -0.651 1 1 681 . 17 1 1 A 59 59 TRP CA C 57 58.897 59.777 -0.880 1 1 682 . 17 1 1 A 59 59 TRP CB C 57 28.036 28.047 -0.011 1 1 688 . 17 1 1 A 59 59 TRP N N 57 113.433 119.141 -5.708 1 1 690 . 17 1 1 A 60 60 ILE H H 58 6.461 7.520 -1.059 1 1 691 . 17 1 1 A 60 60 ILE HA H 58 3.304 3.458 -0.154 1 1 701 . 17 1 1 A 60 60 ILE C C 58 177.726 177.765 -0.039 1 1 702 . 17 1 1 A 60 60 ILE CA C 58 64.314 64.747 -0.433 1 1 703 . 17 1 1 A 60 60 ILE CB C 58 35.897 36.871 -0.974 1 1 707 . 17 1 1 A 60 60 ILE N N 58 124.379 122.375 2.004 1 1 708 . 17 1 1 A 61 61 GLN H H 59 7.624 8.689 -1.065 1 1 709 . 17 1 1 A 61 61 GLN HA H 59 3.748 3.928 -0.180 1 1 716 . 17 1 1 A 61 61 GLN C C 59 178.434 178.860 -0.426 1 1 717 . 17 1 1 A 61 61 GLN CA C 59 59.379 59.337 0.042 1 1 718 . 17 1 1 A 61 61 GLN CB C 59 28.272 28.193 0.079 1 1 720 . 17 1 1 A 61 61 GLN N N 59 119.070 119.377 -0.307 1 1 722 . 17 1 1 A 62 62 GLU H H 60 8.064 7.883 0.181 1 1 723 . 17 1 1 A 62 62 GLU HA H 60 4.083 4.072 0.011 1 1 728 . 17 1 1 A 62 62 GLU C C 60 179.051 178.785 0.266 1 1 729 . 17 1 1 A 62 62 GLU CA C 60 59.659 59.296 0.363 1 1 730 . 17 1 1 A 62 62 GLU CB C 60 30.457 29.475 0.982 1 1 732 . 17 1 1 A 62 62 GLU N N 60 117.166 119.909 -2.743 1 1 733 . 17 1 1 A 63 63 TYR H H 61 7.924 8.537 -0.613 1 1 734 . 17 1 1 A 63 63 TYR HA H 61 4.254 4.257 -0.003 1 1 741 . 17 1 1 A 63 63 TYR C C 61 178.617 177.331 1.286 1 1 742 . 17 1 1 A 63 63 TYR CA C 61 61.184 61.564 -0.380 1 1 743 . 17 1 1 A 63 63 TYR CB C 61 39.461 38.911 0.550 1 1 746 . 17 1 1 A 63 63 TYR N N 61 121.271 122.669 -1.398 1 1 747 . 17 1 1 A 64 64 LEU H H 62 8.260 8.874 -0.614 1 1 748 . 17 1 1 A 64 64 LEU HA H 62 3.954 3.957 -0.003 1 1 758 . 17 1 1 A 64 64 LEU C C 62 179.553 179.114 0.439 1 1 759 . 17 1 1 A 64 64 LEU CA C 62 58.014 58.056 -0.042 1 1 760 . 17 1 1 A 64 64 LEU CB C 62 42.191 41.485 0.706 1 1 764 . 17 1 1 A 64 64 LEU N N 62 116.299 119.982 -3.683 1 1 765 . 17 1 1 A 65 65 GLU H H 63 8.454 8.148 0.306 1 1 766 . 17 1 1 A 65 65 GLU HA H 63 3.840 3.906 -0.066 1 1 771 . 17 1 1 A 65 65 GLU C C 63 179.279 179.163 0.116 1 1 772 . 17 1 1 A 65 65 GLU CA C 63 60.301 59.900 0.401 1 1 773 . 17 1 1 A 65 65 GLU CB C 63 29.870 29.450 0.420 1 1 775 . 17 1 1 A 65 65 GLU N N 63 118.616 117.508 1.108 1 1 776 . 17 1 1 A 66 66 LYS H H 64 7.575 8.446 -0.871 1 1 777 . 17 1 1 A 66 66 LYS HA H 64 4.212 4.071 0.141 1 1 786 . 17 1 1 A 66 66 LYS C C 64 178.457 178.482 -0.025 1 1 787 . 17 1 1 A 66 66 LYS CA C 64 58.496 59.177 -0.681 1 1 788 . 17 1 1 A 66 66 LYS CB C 64 32.400 31.973 0.427 1 1 792 . 17 1 1 A 66 66 LYS N N 64 117.166 118.481 -1.315 1 1 793 . 17 1 1 A 67 67 CYS H H 65 7.918 8.118 -0.200 1 1 794 . 17 1 1 A 67 67 CYS HA H 65 4.526 4.235 0.291 1 1 797 . 17 1 1 A 67 67 CYS C C 65 174.893 177.195 -2.302 1 1 798 . 17 1 1 A 67 67 CYS CA C 65 56.329 61.946 -5.617 1 1 799 . 17 1 1 A 67 67 CYS CB C 65 45.235 26.391 18.844 1 1 800 . 17 1 1 A 67 67 CYS N N 65 115.330 118.182 -2.852 1 1 801 . 17 1 1 A 68 68 LEU H H 66 7.559 7.841 -0.282 1 1 802 . 17 1 1 A 68 68 LEU HA H 66 4.490 4.056 0.434 1 1 812 . 17 1 1 A 68 68 LEU C C 66 176.812 177.874 -1.062 1 1 813 . 17 1 1 A 68 68 LEU CA C 66 55.366 58.130 -2.764 1 1 814 . 17 1 1 A 68 68 LEU CB C 66 43.278 41.763 1.515 1 1 818 . 17 1 1 A 68 68 LEU N N 66 120.930 123.464 -2.534 1 1 819 . 17 1 1 A 69 69 ASN H H 67 8.265 8.124 0.141 1 1 820 . 17 1 1 A 69 69 ASN HA H 67 4.669 4.980 -0.311 1 1 825 . 17 1 1 A 69 69 ASN CA C 67 53.761 52.690 1.071 1 1 826 . 17 1 1 A 69 69 ASN CB C 67 39.069 40.525 -1.456 1 1 827 . 17 1 1 A 69 69 ASN N N 67 120.279 115.367 4.912 1 1 852 . 17 2 2 B 4 4 GLU H H 102 8.329 7.614 0.715 1 1 853 . 17 2 2 B 4 4 GLU HA H 102 4.282 4.876 -0.594 1 1 858 . 17 2 2 B 4 4 GLU C C 102 177.132 175.261 1.871 1 1 859 . 17 2 2 B 4 4 GLU CA C 102 57.410 54.379 3.031 1 1 861 . 17 2 2 B 4 4 GLU N N 102 121.884 117.497 4.387 1 1 862 . 17 2 2 B 5 5 GLY H H 103 8.335 8.651 -0.316 1 1 863 . 17 2 2 B 5 5 GLY HA2 H 103 3.941 4.325 -0.384 1 1 864 . 17 2 2 B 5 5 GLY HA3 H 103 3.941 4.326 -0.385 1 1 865 . 17 2 2 B 5 5 GLY C C 103 174.207 174.634 -0.427 1 1 866 . 17 2 2 B 5 5 GLY CA C 103 45.731 44.787 0.944 1 1 867 . 17 2 2 B 5 5 GLY N N 103 110.055 107.353 2.702 1 1 868 . 17 2 2 B 6 6 ILE H H 104 7.831 8.533 -0.702 1 1 869 . 17 2 2 B 6 6 ILE HA H 104 4.269 3.981 0.288 1 1 879 . 17 2 2 B 6 6 ILE C C 104 176.401 175.986 0.415 1 1 880 . 17 2 2 B 6 6 ILE CA C 104 61.558 63.715 -2.157 1 1 881 . 17 2 2 B 6 6 ILE CB C 104 39.436 38.414 1.022 1 1 885 . 17 2 2 B 6 6 ILE N N 104 119.606 126.624 -7.018 1 1 886 . 17 2 2 B 7 7 SER H H 105 8.324 8.066 0.258 1 1 887 . 17 2 2 B 7 7 SER HA H 105 4.535 4.912 -0.377 1 1 890 . 17 2 2 B 7 7 SER C C 105 174.550 173.609 0.941 1 1 891 . 17 2 2 B 7 7 SER CA C 105 58.667 56.121 2.546 1 1 892 . 17 2 2 B 7 7 SER CB C 105 64.072 66.168 -2.096 1 1 893 . 17 2 2 B 7 7 SER N N 105 119.717 113.949 5.768 1 1 937 . 17 2 2 B 11 11 SER H H 109 8.211 8.726 -0.515 1 1 938 . 17 2 2 B 11 11 SER HA H 109 4.507 4.585 -0.078 1 1 941 . 17 2 2 B 11 11 SER C C 109 174.504 172.973 1.531 1 1 942 . 17 2 2 B 11 11 SER CA C 109 58.919 58.100 0.819 1 1 943 . 17 2 2 B 11 11 SER CB C 109 64.198 61.516 2.682 1 1 944 . 17 2 2 B 11 11 SER N N 109 117.260 123.217 -5.957 1 1 945 . 17 2 2 B 12 12 ASP H H 110 8.323 8.489 -0.166 1 1 946 . 17 2 2 B 12 12 ASP HA H 110 4.620 4.835 -0.215 1 1 949 . 17 2 2 B 12 12 ASP C C 110 176.058 175.570 0.488 1 1 950 . 17 2 2 B 12 12 ASP CA C 110 55.022 53.784 1.238 1 1 951 . 17 2 2 B 12 12 ASP CB C 110 41.825 38.901 2.924 1 1 952 . 17 2 2 B 12 12 ASP N N 110 122.020 126.764 -4.744 1 1 986 . 17 2 2 B 16 16 GLU H H 114 8.378 8.763 -0.385 1 1 987 . 17 2 2 B 16 16 GLU HA H 114 4.268 4.930 -0.662 1 1 992 . 17 2 2 B 16 16 GLU C C 114 176.766 174.977 1.789 1 1 993 . 17 2 2 B 16 16 GLU CA C 114 57.410 54.644 2.766 1 1 994 . 17 2 2 B 16 16 GLU CB C 114 30.620 33.466 -2.846 1 1 996 . 17 2 2 B 16 16 GLU N N 114 123.052 128.757 -5.705 1 1 997 . 17 2 2 B 17 17 GLU H H 115 8.326 8.417 -0.091 1 1 998 . 17 2 2 B 17 17 GLU HA H 115 4.274 4.314 -0.040 1 1 1003 . 17 2 2 B 17 17 GLU C C 115 176.880 176.961 -0.081 1 1 1004 . 17 2 2 B 17 17 GLU CA C 115 57.410 57.076 0.334 1 1 1005 . 17 2 2 B 17 17 GLU CB C 115 30.525 29.705 0.820 1 1 1007 . 17 2 2 B 17 17 GLU N N 115 121.688 121.991 -0.303 1 1 1008 . 17 2 2 B 18 18 MET H H 116 8.309 8.692 -0.383 1 1 1009 . 17 2 2 B 18 18 MET HA H 116 4.473 4.487 -0.014 1 1 1014 . 17 2 2 B 18 18 MET C C 116 177.086 176.890 0.196 1 1 1015 . 17 2 2 B 18 18 MET CA C 116 56.279 55.876 0.403 1 1 1016 . 17 2 2 B 18 18 MET CB C 116 33.026 32.964 0.062 1 1 1017 . 17 2 2 B 18 18 MET N N 116 121.270 122.794 -1.524 1 1 1018 . 17 2 2 B 19 19 GLY H H 117 8.335 8.426 -0.091 1 1 1019 . 17 2 2 B 19 19 GLY HA2 H 117 4.054 4.089 -0.035 1 1 1020 . 17 2 2 B 19 19 GLY HA3 H 117 4.054 4.089 -0.035 1 1 1021 . 17 2 2 B 19 19 GLY C C 117 174.481 173.267 1.214 1 1 1022 . 17 2 2 B 19 19 GLY CA C 117 45.847 44.194 1.653 1 1 1023 . 17 2 2 B 19 19 GLY N N 117 110.055 110.676 -0.621 1 1 1024 . 17 2 2 B 20 20 SER H H 118 8.230 8.570 -0.340 1 1 1025 . 17 2 2 B 20 20 SER HA H 118 4.476 5.361 -0.885 1 1 1028 . 17 2 2 B 20 20 SER C C 118 175.327 173.723 1.604 1 1 1029 . 17 2 2 B 20 20 SER CA C 118 58.919 56.662 2.257 1 1 1030 . 17 2 2 B 20 20 SER CB C 118 64.575 66.144 -1.569 1 1 1031 . 17 2 2 B 20 20 SER N N 118 115.664 116.132 -0.468 1 1 1032 . 17 2 2 B 21 21 GLY H H 119 8.354 8.705 -0.351 1 1 1033 . 17 2 2 B 21 21 GLY HA2 H 119 3.941 4.020 -0.079 1 1 1034 . 17 2 2 B 21 21 GLY HA3 H 119 3.941 4.020 -0.079 1 1 1035 . 17 2 2 B 21 21 GLY C C 119 174.002 172.393 1.609 1 1 1036 . 17 2 2 B 21 21 GLY CA C 119 45.721 45.484 0.237 1 1 1037 . 17 2 2 B 21 21 GLY N N 119 110.872 109.068 1.804 1 1 1068 . 17 2 2 B 25 25 SER H H 123 8.155 8.232 -0.077 1 1 1069 . 17 2 2 B 25 25 SER HA H 123 4.391 4.082 0.309 1 1 1072 . 17 2 2 B 25 25 SER C C 123 175.075 173.459 1.616 1 1 1073 . 17 2 2 B 25 25 SER CA C 123 59.347 59.605 -0.258 1 1 1074 . 17 2 2 B 25 25 SER CB C 123 63.879 62.830 1.049 1 1 1075 . 17 2 2 B 25 25 SER N N 123 116.126 114.198 1.928 1 1 1076 . 17 2 2 B 26 26 MET H H 124 8.221 7.719 0.502 1 1 1077 . 17 2 2 B 26 26 MET HA H 124 4.476 4.825 -0.349 1 1 1082 . 17 2 2 B 26 26 MET C C 124 176.355 174.873 1.482 1 1 1083 . 17 2 2 B 26 26 MET CA C 124 56.279 54.541 1.738 1 1 1084 . 17 2 2 B 26 26 MET CB C 124 32.900 33.448 -0.548 1 1 1086 . 17 2 2 B 26 26 MET N N 124 121.210 119.623 1.587 1 1 1087 . 17 2 2 B 27 27 LYS H H 125 8.025 8.413 -0.388 1 1 1088 . 17 2 2 B 27 27 LYS HA H 125 4.312 4.951 -0.639 1 1 1097 . 17 2 2 B 27 27 LYS C C 125 176.355 175.105 1.250 1 1 1098 . 17 2 2 B 27 27 LYS CA C 125 56.656 54.519 2.137 1 1 1099 . 17 2 2 B 27 27 LYS CB C 125 33.529 36.986 -3.457 1 1 1103 . 17 2 2 B 27 27 LYS N N 125 121.457 122.084 -0.627 1 1 1104 . 17 2 2 B 28 28 GLU H H 126 8.222 9.011 -0.789 1 1 1105 . 17 2 2 B 28 28 GLU N N 126 122.740 118.449 4.291 1 1 1106 . 17 2 2 B 29 29 PRO HA H 127 4.355 4.506 -0.151 1 1 1113 . 17 2 2 B 29 29 PRO C C 127 176.812 176.665 0.147 1 1 1114 . 17 2 2 B 29 29 PRO CA C 127 63.821 63.377 0.444 1 1 1115 . 17 2 2 B 29 29 PRO CB C 127 32.272 31.974 0.298 1 1 1118 . 17 2 2 B 30 30 ALA H H 128 8.267 8.709 -0.442 1 1 1119 . 17 2 2 B 30 30 ALA HA H 128 4.269 4.484 -0.215 1 1 1123 . 17 2 2 B 30 30 ALA C C 128 177.589 178.196 -0.607 1 1 1124 . 17 2 2 B 30 30 ALA CA C 128 52.873 52.393 0.480 1 1 1125 . 17 2 2 B 30 30 ALA CB C 128 19.703 21.026 -1.323 1 1 1126 . 17 2 2 B 30 30 ALA N N 128 123.577 121.487 2.090 1 1 1127 . 17 2 2 B 31 31 PHE H H 129 8.019 8.220 -0.201 1 1 1128 . 17 2 2 B 31 31 PHE HA H 129 4.621 4.569 0.052 1 1 1136 . 17 2 2 B 31 31 PHE C C 129 175.624 175.048 0.576 1 1 1137 . 17 2 2 B 31 31 PHE CA C 129 58.039 58.382 -0.343 1 1 1138 . 17 2 2 B 31 31 PHE CB C 129 40.055 38.489 1.566 1 1 1142 . 17 2 2 B 31 31 PHE N N 129 118.994 117.117 1.877 1 1 1143 . 17 2 2 B 32 32 ARG H H 130 8.029 7.915 0.114 1 1 1144 . 17 2 2 B 32 32 ARG HA H 130 4.309 3.627 0.682 1 1 1151 . 17 2 2 B 32 32 ARG C C 130 175.875 174.847 1.028 1 1 1152 . 17 2 2 B 32 32 ARG CA C 130 56.154 56.204 -0.050 1 1 1153 . 17 2 2 B 32 32 ARG CB C 130 31.643 28.909 2.734 1 1 1156 . 17 2 2 B 32 32 ARG N N 130 122.929 119.985 2.944 1 1 1157 . 17 2 2 B 33 33 GLU H H 131 8.374 8.240 0.134 1 1 1158 . 17 2 2 B 33 33 GLU HA H 131 4.276 4.344 -0.068 1 1 1163 . 17 2 2 B 33 33 GLU C C 131 176.766 176.049 0.717 1 1 1164 . 17 2 2 B 33 33 GLU CA C 131 57.285 56.632 0.653 1 1 1165 . 17 2 2 B 33 33 GLU CB C 131 30.512 30.692 -0.180 1 1 1167 . 17 2 2 B 33 33 GLU N N 131 122.719 121.717 1.002 1 1 1168 . 17 2 2 B 34 34 GLU H H 132 8.509 8.758 -0.249 1 1 1169 . 17 2 2 B 34 34 GLU HA H 132 4.271 4.727 -0.456 1 1 1174 . 17 2 2 B 34 34 GLU C C 132 176.560 174.841 1.719 1 1 1175 . 17 2 2 B 34 34 GLU CA C 132 57.400 55.064 2.336 1 1 1176 . 17 2 2 B 34 34 GLU CB C 132 30.530 30.513 0.017 1 1 1178 . 17 2 2 B 34 34 GLU N N 132 122.122 125.591 -3.469 1 1 1179 . 17 2 2 B 35 35 ASN H H 133 8.362 8.942 -0.580 1 1 1180 . 17 2 2 B 35 35 ASN HA H 133 4.693 5.013 -0.320 1 1 1183 . 17 2 2 B 35 35 ASN C C 133 175.258 174.379 0.879 1 1 1184 . 17 2 2 B 35 35 ASN CA C 133 53.765 53.197 0.568 1 1 1185 . 17 2 2 B 35 35 ASN CB C 133 39.562 39.205 0.357 1 1 1186 . 17 2 2 B 35 35 ASN N N 133 119.552 124.051 -4.499 1 1 1187 . 17 2 2 B 36 36 ALA H H 134 8.155 8.851 -0.696 1 1 1188 . 17 2 2 B 36 36 ALA HA H 134 4.265 5.194 -0.929 1 1 1192 . 17 2 2 B 36 36 ALA C C 134 177.520 177.404 0.116 1 1 1193 . 17 2 2 B 36 36 ALA CA C 134 52.873 50.214 2.659 1 1 1194 . 17 2 2 B 36 36 ALA CB C 134 19.703 21.148 -1.445 1 1 1195 . 17 2 2 B 36 36 ALA N N 134 124.376 129.133 -4.757 1 1 1196 . 17 2 2 B 37 37 ASN H H 135 8.210 8.575 -0.365 1 1 1197 . 17 2 2 B 37 37 ASN HA H 135 4.688 4.959 -0.271 1 1 1200 . 17 2 2 B 37 37 ASN C C 135 175.144 174.942 0.202 1 1 1201 . 17 2 2 B 37 37 ASN CA C 135 53.640 52.564 1.076 1 1 1202 . 17 2 2 B 37 37 ASN CB C 135 39.311 39.830 -0.519 1 1 1203 . 17 2 2 B 37 37 ASN N N 135 117.103 119.317 -2.214 1 1 1204 . 17 2 2 B 38 38 PHE H H 136 7.997 8.787 -0.790 1 1 1205 . 17 2 2 B 38 38 PHE HA H 136 4.623 4.533 0.090 1 1 1212 . 17 2 2 B 38 38 PHE C C 136 175.601 174.966 0.635 1 1 1213 . 17 2 2 B 38 38 PHE CA C 136 58.165 57.587 0.578 1 1 1214 . 17 2 2 B 38 38 PHE CB C 136 39.939 39.158 0.781 1 1 1217 . 17 2 2 B 38 38 PHE N N 136 120.229 121.789 -1.560 1 1 1218 . 17 2 2 B 39 39 ASN H H 137 8.272 8.419 -0.147 1 1 1219 . 17 2 2 B 39 39 ASN HA H 137 4.702 4.871 -0.169 1 1 1222 . 17 2 2 B 39 39 ASN C C 137 174.047 174.837 -0.790 1 1 1223 . 17 2 2 B 39 39 ASN CA C 137 53.891 53.329 0.562 1 1 1224 . 17 2 2 B 39 39 ASN CB C 137 39.688 38.962 0.726 1 1 1225 . 17 2 2 B 39 39 ASN N N 137 120.594 124.683 -4.089 1 1 3 . 18 1 1 A 4 4 PRO HA H 2 4.510 4.559 -0.049 1 1 10 . 18 1 1 A 4 4 PRO C C 2 177.132 175.851 1.281 1 1 11 . 18 1 1 A 4 4 PRO CA C 2 63.529 63.184 0.345 1 1 12 . 18 1 1 A 4 4 PRO CB C 2 32.476 31.754 0.722 1 1 15 . 18 1 1 A 5 5 VAL H H 3 8.201 8.654 -0.453 1 1 16 . 18 1 1 A 5 5 VAL HA H 3 4.140 4.508 -0.368 1 1 24 . 18 1 1 A 5 5 VAL C C 3 176.423 175.227 1.196 1 1 25 . 18 1 1 A 5 5 VAL CA C 3 62.873 61.361 1.512 1 1 26 . 18 1 1 A 5 5 VAL CB C 3 33.455 33.216 0.239 1 1 28 . 18 1 1 A 5 5 VAL N N 3 120.488 125.202 -4.714 1 1 29 . 18 1 1 A 6 6 SER H H 4 8.276 8.980 -0.704 1 1 30 . 18 1 1 A 6 6 SER HA H 4 4.487 5.200 -0.713 1 1 33 . 18 1 1 A 6 6 SER C C 4 174.687 173.253 1.434 1 1 34 . 18 1 1 A 6 6 SER CA C 4 58.375 57.680 0.695 1 1 35 . 18 1 1 A 6 6 SER CB C 4 64.295 65.084 -0.789 1 1 36 . 18 1 1 A 6 6 SER N N 4 119.000 125.223 -6.223 1 1 37 . 18 1 1 A 7 7 LEU H H 5 8.238 8.573 -0.335 1 1 38 . 18 1 1 A 7 7 LEU HA H 5 4.397 4.365 0.032 1 1 44 . 18 1 1 A 7 7 LEU C C 5 177.406 177.084 0.322 1 1 45 . 18 1 1 A 7 7 LEU CA C 5 55.766 55.176 0.590 1 1 46 . 18 1 1 A 7 7 LEU CB C 5 43.132 43.029 0.103 1 1 48 . 18 1 1 A 7 7 LEU N N 5 124.704 127.642 -2.938 1 1 49 . 18 1 1 A 8 8 SER H H 6 8.148 8.731 -0.583 1 1 50 . 18 1 1 A 8 8 SER HA H 6 4.438 4.178 0.260 1 1 53 . 18 1 1 A 8 8 SER C C 6 174.321 173.396 0.925 1 1 54 . 18 1 1 A 8 8 SER CA C 6 58.718 58.931 -0.213 1 1 55 . 18 1 1 A 8 8 SER CB C 6 64.295 61.857 2.438 1 1 56 . 18 1 1 A 8 8 SER N N 6 115.960 113.276 2.684 1 1 57 . 18 1 1 A 9 9 TYR H H 7 7.915 8.087 -0.172 1 1 58 . 18 1 1 A 9 9 TYR HA H 7 4.585 4.477 0.108 1 1 65 . 18 1 1 A 9 9 TYR C C 7 175.532 175.406 0.126 1 1 66 . 18 1 1 A 9 9 TYR CA C 7 58.335 58.073 0.262 1 1 67 . 18 1 1 A 9 9 TYR CB C 7 39.474 39.353 0.121 1 1 70 . 18 1 1 A 9 9 TYR N N 7 121.884 121.556 0.328 1 1 71 . 18 1 1 A 10 10 ARG H H 8 8.117 9.012 -0.895 1 1 72 . 18 1 1 A 10 10 ARG HA H 8 4.337 4.814 -0.477 1 1 79 . 18 1 1 A 10 10 ARG C C 8 175.898 174.223 1.675 1 1 80 . 18 1 1 A 10 10 ARG CA C 8 56.048 53.827 2.221 1 1 81 . 18 1 1 A 10 10 ARG CB C 8 31.492 34.210 -2.718 1 1 84 . 18 1 1 A 10 10 ARG N N 8 121.977 119.804 2.173 1 1 85 . 18 1 1 A 11 11 CYS H H 9 8.127 8.661 -0.534 1 1 86 . 18 1 1 A 11 11 CYS HA H 9 4.984 5.013 -0.029 1 1 89 . 18 1 1 A 11 11 CYS C C 9 177.771 173.433 4.338 1 1 90 . 18 1 1 A 11 11 CYS CA C 9 53.192 53.302 -0.110 1 1 91 . 18 1 1 A 11 11 CYS CB C 9 40.897 44.637 -3.740 1 1 92 . 18 1 1 A 11 11 CYS N N 9 121.209 121.061 0.148 1 1 93 . 18 1 1 A 12 12 PRO HA H 10 4.321 4.399 -0.078 1 1 100 . 18 1 1 A 12 12 PRO CA C 10 65.478 64.973 0.505 1 1 101 . 18 1 1 A 12 12 PRO CB C 10 32.904 31.898 1.006 1 1 104 . 18 1 1 A 13 13 CYS H H 11 8.633 8.896 -0.263 1 1 105 . 18 1 1 A 13 13 CYS C C 11 174.618 173.773 0.845 1 1 106 . 18 1 1 A 13 13 CYS N N 11 114.595 116.558 -1.963 1 1 107 . 18 1 1 A 14 14 ARG H H 12 8.236 8.865 -0.629 1 1 108 . 18 1 1 A 14 14 ARG HA H 12 4.067 4.091 -0.024 1 1 115 . 18 1 1 A 14 14 ARG C C 12 175.098 175.270 -0.172 1 1 116 . 18 1 1 A 14 14 ARG CA C 12 57.370 57.890 -0.520 1 1 117 . 18 1 1 A 14 14 ARG CB C 12 31.631 31.165 0.466 1 1 120 . 18 1 1 A 14 14 ARG N N 12 122.779 127.767 -4.988 1 1 121 . 18 1 1 A 15 15 PHE H H 13 7.571 7.847 -0.276 1 1 122 . 18 1 1 A 15 15 PHE HA H 13 4.510 4.692 -0.182 1 1 129 . 18 1 1 A 15 15 PHE C C 13 174.162 174.992 -0.830 1 1 130 . 18 1 1 A 15 15 PHE CA C 13 56.289 56.057 0.232 1 1 131 . 18 1 1 A 15 15 PHE CB C 13 41.320 41.536 -0.216 1 1 134 . 18 1 1 A 15 15 PHE N N 13 116.797 115.477 1.320 1 1 135 . 18 1 1 A 16 16 PHE H H 14 8.084 8.552 -0.468 1 1 136 . 18 1 1 A 16 16 PHE HA H 14 4.767 5.664 -0.897 1 1 143 . 18 1 1 A 16 16 PHE C C 14 175.441 173.181 2.260 1 1 144 . 18 1 1 A 16 16 PHE CA C 14 55.767 55.147 0.620 1 1 145 . 18 1 1 A 16 16 PHE CB C 14 41.320 42.630 -1.310 1 1 148 . 18 1 1 A 16 16 PHE N N 14 118.930 117.908 1.022 1 1 149 . 18 1 1 A 17 17 GLU H H 15 8.815 9.505 -0.690 1 1 150 . 18 1 1 A 17 17 GLU HA H 15 4.579 4.414 0.165 1 1 155 . 18 1 1 A 17 17 GLU C C 15 176.857 176.652 0.205 1 1 156 . 18 1 1 A 17 17 GLU CA C 15 56.289 56.774 -0.485 1 1 157 . 18 1 1 A 17 17 GLU CB C 15 31.173 30.826 0.347 1 1 159 . 18 1 1 A 17 17 GLU N N 15 122.929 123.257 -0.328 1 1 160 . 18 1 1 A 18 18 SER H H 16 8.751 8.626 0.125 1 1 161 . 18 1 1 A 18 18 SER HA H 16 4.762 4.721 0.041 1 1 164 . 18 1 1 A 18 18 SER C C 16 177.497 175.564 1.933 1 1 165 . 18 1 1 A 18 18 SER CA C 16 59.328 58.537 0.791 1 1 166 . 18 1 1 A 18 18 SER CB C 16 64.515 64.740 -0.225 1 1 167 . 18 1 1 A 18 18 SER N N 16 118.860 118.685 0.175 1 1 168 . 18 1 1 A 19 19 HIS H H 17 8.761 8.112 0.649 1 1 169 . 18 1 1 A 19 19 HIS HA H 17 4.832 4.925 -0.093 1 1 174 . 18 1 1 A 19 19 HIS C C 17 174.618 174.928 -0.310 1 1 175 . 18 1 1 A 19 19 HIS CA C 17 56.449 55.124 1.325 1 1 176 . 18 1 1 A 19 19 HIS CB C 17 30.214 29.372 0.842 1 1 179 . 18 1 1 A 19 19 HIS N N 17 120.535 118.927 1.608 1 1 180 . 18 1 1 A 20 20 VAL H H 18 7.085 7.663 -0.578 1 1 181 . 18 1 1 A 20 20 VAL HA H 18 4.160 4.021 0.139 1 1 189 . 18 1 1 A 20 20 VAL C C 18 174.436 175.675 -1.239 1 1 190 . 18 1 1 A 20 20 VAL CA C 18 62.167 62.560 -0.393 1 1 191 . 18 1 1 A 20 20 VAL CB C 18 34.426 32.715 1.711 1 1 193 . 18 1 1 A 20 20 VAL N N 18 120.872 120.248 0.624 1 1 194 . 18 1 1 A 21 21 ALA H H 19 8.521 8.346 0.175 1 1 195 . 18 1 1 A 21 21 ALA HA H 19 4.367 4.467 -0.100 1 1 199 . 18 1 1 A 21 21 ALA C C 19 177.657 177.160 0.497 1 1 200 . 18 1 1 A 21 21 ALA CA C 19 51.193 50.678 0.515 1 1 201 . 18 1 1 A 21 21 ALA CB C 19 19.790 20.339 -0.549 1 1 202 . 18 1 1 A 21 21 ALA N N 19 131.339 129.014 2.325 1 1 203 . 18 1 1 A 22 22 ARG H H 20 7.790 8.308 -0.518 1 1 204 . 18 1 1 A 22 22 ARG HA H 20 2.451 2.582 -0.131 1 1 211 . 18 1 1 A 22 22 ARG C C 20 178.365 177.139 1.226 1 1 212 . 18 1 1 A 22 22 ARG CA C 20 59.379 58.574 0.805 1 1 213 . 18 1 1 A 22 22 ARG CB C 20 29.572 29.078 0.494 1 1 216 . 18 1 1 A 22 22 ARG N N 20 124.365 125.015 -0.650 1 1 217 . 18 1 1 A 23 23 ALA H H 21 8.120 7.531 0.589 1 1 218 . 18 1 1 A 23 23 ALA HA H 21 4.060 4.121 -0.061 1 1 222 . 18 1 1 A 23 23 ALA C C 21 178.000 177.805 0.195 1 1 223 . 18 1 1 A 23 23 ALA CA C 21 54.100 53.210 0.890 1 1 224 . 18 1 1 A 23 23 ALA CB C 21 18.713 18.727 -0.014 1 1 225 . 18 1 1 A 23 23 ALA N N 21 117.156 120.356 -3.200 1 1 226 . 18 1 1 A 24 24 ASN H H 22 7.707 7.994 -0.287 1 1 227 . 18 1 1 A 24 24 ASN HA H 22 5.010 4.824 0.186 1 1 232 . 18 1 1 A 24 24 ASN C C 22 174.938 174.685 0.253 1 1 233 . 18 1 1 A 24 24 ASN CA C 22 52.869 52.367 0.502 1 1 234 . 18 1 1 A 24 24 ASN CB C 22 40.573 38.769 1.804 1 1 235 . 18 1 1 A 24 24 ASN N N 22 112.819 115.347 -2.528 1 1 237 . 18 1 1 A 25 25 VAL H H 23 7.489 7.314 0.175 1 1 238 . 18 1 1 A 25 25 VAL HA H 23 4.888 4.238 0.650 1 1 246 . 18 1 1 A 25 25 VAL C C 23 175.829 176.150 -0.321 1 1 247 . 18 1 1 A 25 25 VAL CA C 23 59.870 60.762 -0.892 1 1 248 . 18 1 1 A 25 25 VAL CB C 23 35.396 33.358 2.038 1 1 251 . 18 1 1 A 25 25 VAL N N 23 119.721 117.665 2.056 1 1 252 . 18 1 1 A 26 26 LYS H H 24 9.480 9.402 0.078 1 1 253 . 18 1 1 A 26 26 LYS HA H 24 4.353 4.162 0.191 1 1 262 . 18 1 1 A 26 26 LYS C C 24 176.606 176.205 0.401 1 1 263 . 18 1 1 A 26 26 LYS CA C 24 58.977 58.409 0.568 1 1 264 . 18 1 1 A 26 26 LYS CB C 24 34.567 33.407 1.160 1 1 268 . 18 1 1 A 26 26 LYS N N 24 127.843 124.901 2.942 1 1 269 . 18 1 1 A 27 27 HIS H H 25 7.237 7.497 -0.260 1 1 270 . 18 1 1 A 27 27 HIS HA H 25 4.979 4.978 0.001 1 1 275 . 18 1 1 A 27 27 HIS C C 25 178.434 172.558 5.876 1 1 276 . 18 1 1 A 27 27 HIS CA C 25 55.406 54.941 0.465 1 1 277 . 18 1 1 A 27 27 HIS CB C 25 32.480 31.154 1.326 1 1 280 . 18 1 1 A 27 27 HIS N N 25 109.556 111.935 -2.379 1 1 281 . 18 1 1 A 28 28 LEU H H 26 8.189 8.809 -0.620 1 1 282 . 18 1 1 A 28 28 LEU HA H 26 5.190 5.252 -0.062 1 1 292 . 18 1 1 A 28 28 LEU C C 26 175.510 175.637 -0.127 1 1 293 . 18 1 1 A 28 28 LEU CA C 26 53.480 53.492 -0.012 1 1 294 . 18 1 1 A 28 28 LEU CB C 26 45.235 45.436 -0.201 1 1 298 . 18 1 1 A 28 28 LEU N N 26 117.260 119.714 -2.454 1 1 299 . 18 1 1 A 29 29 LYS H H 27 9.572 8.804 0.768 1 1 300 . 18 1 1 A 29 29 LYS HA H 27 5.372 5.097 0.275 1 1 309 . 18 1 1 A 29 29 LYS C C 27 174.801 174.264 0.537 1 1 310 . 18 1 1 A 29 29 LYS CA C 27 55.165 54.946 0.219 1 1 311 . 18 1 1 A 29 29 LYS CB C 27 35.253 35.624 -0.371 1 1 315 . 18 1 1 A 29 29 LYS N N 27 123.488 122.608 0.880 1 1 316 . 18 1 1 A 30 30 ILE H H 28 9.136 9.005 0.131 1 1 317 . 18 1 1 A 30 30 ILE HA H 28 4.924 5.279 -0.355 1 1 327 . 18 1 1 A 30 30 ILE C C 28 176.949 175.222 1.727 1 1 328 . 18 1 1 A 30 30 ILE CA C 28 60.542 58.943 1.599 1 1 329 . 18 1 1 A 30 30 ILE CB C 28 39.600 38.683 0.917 1 1 333 . 18 1 1 A 30 30 ILE N N 28 123.846 127.947 -4.101 1 1 334 . 18 1 1 A 31 31 LEU H H 29 8.805 9.335 -0.530 1 1 335 . 18 1 1 A 31 31 LEU HA H 29 4.535 4.981 -0.446 1 1 344 . 18 1 1 A 31 31 LEU C C 29 176.012 176.040 -0.028 1 1 345 . 18 1 1 A 31 31 LEU CA C 29 55.366 53.242 2.124 1 1 346 . 18 1 1 A 31 31 LEU CB C 29 43.180 44.939 -1.759 1 1 349 . 18 1 1 A 31 31 LEU N N 29 128.649 127.935 0.714 1 1 350 . 18 1 1 A 32 32 ASN H H 30 8.216 8.676 -0.460 1 1 351 . 18 1 1 A 32 32 ASN HA H 30 5.005 5.376 -0.371 1 1 356 . 18 1 1 A 32 32 ASN C C 30 174.664 173.846 0.818 1 1 357 . 18 1 1 A 32 32 ASN CA C 30 52.517 52.100 0.417 1 1 358 . 18 1 1 A 32 32 ASN CB C 30 38.776 40.317 -1.541 1 1 359 . 18 1 1 A 32 32 ASN N N 30 120.791 118.318 2.473 1 1 361 . 18 1 1 A 33 33 THR H H 31 7.883 8.283 -0.400 1 1 362 . 18 1 1 A 33 33 THR HA H 31 4.842 5.050 -0.208 1 1 367 . 18 1 1 A 33 33 THR CA C 31 58.369 58.180 0.189 1 1 368 . 18 1 1 A 33 33 THR CB C 31 70.018 70.757 -0.739 1 1 370 . 18 1 1 A 33 33 THR N N 31 115.811 114.817 0.994 1 1 371 . 18 1 1 A 34 34 PRO HA H 32 4.317 4.532 -0.215 1 1 378 . 18 1 1 A 34 34 PRO CA C 32 65.164 63.917 1.247 1 1 379 . 18 1 1 A 34 34 PRO CB C 32 32.484 31.698 0.786 1 1 382 . 18 1 1 A 35 35 ASN H H 33 8.259 8.300 -0.041 1 1 383 . 18 1 1 A 35 35 ASN HA H 33 4.651 4.922 -0.271 1 1 388 . 18 1 1 A 35 35 ASN C C 33 174.710 174.688 0.022 1 1 389 . 18 1 1 A 35 35 ASN CA C 33 54.532 52.835 1.697 1 1 390 . 18 1 1 A 35 35 ASN CB C 33 39.167 38.870 0.297 1 1 391 . 18 1 1 A 35 35 ASN N N 33 120.081 114.451 5.630 1 1 393 . 18 1 1 A 36 36 CYS H H 34 7.569 7.336 0.233 1 1 394 . 18 1 1 A 36 36 CYS HA H 34 4.675 5.052 -0.377 1 1 397 . 18 1 1 A 36 36 CYS C C 34 173.865 173.736 0.129 1 1 398 . 18 1 1 A 36 36 CYS CA C 34 55.447 54.808 0.639 1 1 399 . 18 1 1 A 36 36 CYS CB C 34 45.228 47.042 -1.814 1 1 400 . 18 1 1 A 36 36 CYS N N 34 117.076 116.930 0.146 1 1 401 . 18 1 1 A 37 37 ALA H H 35 8.472 8.691 -0.219 1 1 402 . 18 1 1 A 37 37 ALA HA H 35 4.223 4.204 0.019 1 1 406 . 18 1 1 A 37 37 ALA C C 35 176.423 177.047 -0.624 1 1 407 . 18 1 1 A 37 37 ALA CA C 35 53.537 54.936 -1.399 1 1 408 . 18 1 1 A 37 37 ALA CB C 35 19.202 19.108 0.094 1 1 409 . 18 1 1 A 37 37 ALA N N 35 125.153 123.999 1.154 1 1 410 . 18 1 1 A 38 38 CYS H H 36 8.316 7.741 0.575 1 1 411 . 18 1 1 A 38 38 CYS HA H 36 4.196 4.650 -0.454 1 1 414 . 18 1 1 A 38 38 CYS C C 36 173.705 172.514 1.191 1 1 415 . 18 1 1 A 38 38 CYS CA C 36 58.616 58.352 0.264 1 1 416 . 18 1 1 A 38 38 CYS CB C 36 45.705 30.953 14.752 1 1 417 . 18 1 1 A 38 38 CYS N N 36 118.837 113.433 5.404 1 1 418 . 18 1 1 A 39 39 GLN H H 37 8.928 8.509 0.419 1 1 419 . 18 1 1 A 39 39 GLN HA H 37 4.596 4.861 -0.265 1 1 426 . 18 1 1 A 39 39 GLN C C 37 173.636 173.999 -0.363 1 1 427 . 18 1 1 A 39 39 GLN CA C 37 54.603 54.782 -0.179 1 1 428 . 18 1 1 A 39 39 GLN CB C 37 31.761 31.713 0.048 1 1 430 . 18 1 1 A 39 39 GLN N N 37 128.567 123.362 5.205 1 1 432 . 18 1 1 A 40 40 ILE H H 38 8.851 8.954 -0.103 1 1 433 . 18 1 1 A 40 40 ILE HA H 38 5.087 4.911 0.176 1 1 443 . 18 1 1 A 40 40 ILE C C 38 174.390 174.440 -0.050 1 1 444 . 18 1 1 A 40 40 ILE CA C 38 60.582 59.992 0.590 1 1 445 . 18 1 1 A 40 40 ILE CB C 38 40.048 40.652 -0.604 1 1 449 . 18 1 1 A 40 40 ILE N N 38 123.962 126.782 -2.820 1 1 450 . 18 1 1 A 41 41 VAL H H 39 9.090 9.519 -0.429 1 1 451 . 18 1 1 A 41 41 VAL HA H 39 4.822 4.911 -0.089 1 1 459 . 18 1 1 A 41 41 VAL C C 39 175.487 175.097 0.390 1 1 460 . 18 1 1 A 41 41 VAL CA C 39 59.980 61.040 -1.060 1 1 461 . 18 1 1 A 41 41 VAL CB C 39 35.868 34.187 1.681 1 1 464 . 18 1 1 A 41 41 VAL N N 39 126.354 128.991 -2.637 1 1 465 . 18 1 1 A 42 42 ALA H H 40 9.513 9.110 0.403 1 1 466 . 18 1 1 A 42 42 ALA HA H 40 5.137 5.131 0.006 1 1 470 . 18 1 1 A 42 42 ALA C C 40 175.944 175.733 0.211 1 1 471 . 18 1 1 A 42 42 ALA CA C 40 50.591 50.587 0.004 1 1 472 . 18 1 1 A 42 42 ALA CB C 40 22.432 22.869 -0.437 1 1 473 . 18 1 1 A 42 42 ALA N N 40 128.406 128.162 0.244 1 1 474 . 18 1 1 A 43 43 ARG H H 41 7.720 8.335 -0.615 1 1 475 . 18 1 1 A 43 43 ARG HA H 41 4.959 4.739 0.220 1 1 482 . 18 1 1 A 43 43 ARG C C 41 175.510 175.383 0.127 1 1 483 . 18 1 1 A 43 43 ARG CA C 41 54.162 55.408 -1.246 1 1 484 . 18 1 1 A 43 43 ARG CB C 41 31.200 31.591 -0.391 1 1 487 . 18 1 1 A 43 43 ARG N N 41 121.795 122.462 -0.667 1 1 488 . 18 1 1 A 44 44 LEU H H 42 9.164 8.692 0.472 1 1 489 . 18 1 1 A 44 44 LEU HA H 42 5.021 4.589 0.432 1 1 499 . 18 1 1 A 44 44 LEU C C 42 177.840 176.892 0.948 1 1 500 . 18 1 1 A 44 44 LEU CA C 42 54.724 54.340 0.384 1 1 501 . 18 1 1 A 44 44 LEU CB C 42 41.712 40.746 0.966 1 1 505 . 18 1 1 A 44 44 LEU N N 42 129.087 125.748 3.339 1 1 506 . 18 1 1 A 45 45 LYS H H 43 8.396 8.233 0.163 1 1 507 . 18 1 1 A 45 45 LYS HA H 43 3.950 4.017 -0.067 1 1 516 . 18 1 1 A 45 45 LYS CA C 43 59.016 58.215 0.801 1 1 517 . 18 1 1 A 45 45 LYS CB C 43 34.102 31.055 3.047 1 1 520 . 18 1 1 A 45 45 LYS N N 43 119.674 122.013 -2.339 1 1 521 . 18 1 1 A 48 48 ASN HA H 46 4.709 5.196 -0.487 1 1 526 . 18 1 1 A 48 48 ASN C C 46 175.098 174.663 0.435 1 1 527 . 18 1 1 A 48 48 ASN CA C 46 54.764 51.575 3.189 1 1 528 . 18 1 1 A 48 48 ASN CB C 46 39.265 42.532 -3.267 1 1 530 . 18 1 1 A 49 49 ARG H H 47 7.923 8.321 -0.398 1 1 531 . 18 1 1 A 49 49 ARG HA H 47 4.368 4.456 -0.088 1 1 538 . 18 1 1 A 49 49 ARG C C 47 175.601 175.376 0.225 1 1 539 . 18 1 1 A 49 49 ARG CA C 47 57.051 55.004 2.047 1 1 540 . 18 1 1 A 49 49 ARG CB C 47 32.121 31.172 0.949 1 1 543 . 18 1 1 A 49 49 ARG N N 47 119.826 121.191 -1.365 1 1 544 . 18 1 1 A 50 50 GLN H H 48 8.547 8.856 -0.309 1 1 545 . 18 1 1 A 50 50 GLN HA H 48 5.441 5.167 0.274 1 1 552 . 18 1 1 A 50 50 GLN C C 48 175.578 174.479 1.099 1 1 553 . 18 1 1 A 50 50 GLN CA C 48 55.125 53.892 1.233 1 1 554 . 18 1 1 A 50 50 GLN CB C 48 32.121 32.396 -0.275 1 1 556 . 18 1 1 A 50 50 GLN N N 48 120.767 115.014 5.753 1 1 558 . 18 1 1 A 51 51 VAL H H 49 8.630 8.867 -0.237 1 1 559 . 18 1 1 A 51 51 VAL HA H 49 4.826 4.822 0.004 1 1 567 . 18 1 1 A 51 51 VAL C C 49 175.258 173.753 1.505 1 1 568 . 18 1 1 A 51 51 VAL CA C 49 59.338 58.972 0.366 1 1 569 . 18 1 1 A 51 51 VAL CB C 49 36.155 35.739 0.416 1 1 572 . 18 1 1 A 51 51 VAL N N 49 116.678 116.798 -0.120 1 1 573 . 18 1 1 A 52 52 CYS H H 50 9.095 8.622 0.473 1 1 574 . 18 1 1 A 52 52 CYS HA H 50 5.278 5.291 -0.013 1 1 577 . 18 1 1 A 52 52 CYS C C 50 174.527 172.956 1.571 1 1 578 . 18 1 1 A 52 52 CYS CA C 50 58.054 54.632 3.422 1 1 579 . 18 1 1 A 52 52 CYS CB C 50 43.162 43.810 -0.648 1 1 580 . 18 1 1 A 52 52 CYS N N 50 124.549 119.899 4.650 1 1 581 . 18 1 1 A 53 53 ILE H H 51 8.485 9.121 -0.636 1 1 582 . 18 1 1 A 53 53 ILE HA H 51 4.973 4.624 0.349 1 1 592 . 18 1 1 A 53 53 ILE C C 51 173.019 174.920 -1.901 1 1 593 . 18 1 1 A 53 53 ILE CA C 51 58.897 59.832 -0.935 1 1 594 . 18 1 1 A 53 53 ILE CB C 51 42.201 40.649 1.552 1 1 598 . 18 1 1 A 53 53 ILE N N 51 122.581 124.905 -2.324 1 1 599 . 18 1 1 A 54 54 ASP H H 52 7.661 8.657 -0.996 1 1 600 . 18 1 1 A 54 54 ASP HA H 52 3.611 4.380 -0.769 1 1 603 . 18 1 1 A 54 54 ASP CA C 52 51.574 51.709 -0.135 1 1 604 . 18 1 1 A 54 54 ASP CB C 52 42.515 42.051 0.464 1 1 605 . 18 1 1 A 54 54 ASP N N 52 125.772 126.185 -0.413 1 1 606 . 18 1 1 A 55 55 PRO HA H 53 4.010 4.265 -0.255 1 1 613 . 18 1 1 A 55 55 PRO C C 53 176.126 177.079 -0.953 1 1 614 . 18 1 1 A 55 55 PRO CA C 53 63.993 64.102 -0.109 1 1 615 . 18 1 1 A 55 55 PRO CB C 53 33.002 31.537 1.465 1 1 618 . 18 1 1 A 56 56 LYS H H 54 7.930 8.284 -0.354 1 1 619 . 18 1 1 A 56 56 LYS HA H 54 3.988 4.350 -0.362 1 1 628 . 18 1 1 A 56 56 LYS C C 54 177.931 176.142 1.789 1 1 629 . 18 1 1 A 56 56 LYS CA C 54 56.770 56.209 0.561 1 1 630 . 18 1 1 A 56 56 LYS CB C 54 32.023 33.186 -1.163 1 1 634 . 18 1 1 A 56 56 LYS N N 54 112.924 116.017 -3.093 1 1 635 . 18 1 1 A 57 57 LEU H H 55 7.161 7.116 0.045 1 1 636 . 18 1 1 A 57 57 LEU HA H 55 4.059 4.087 -0.028 1 1 646 . 18 1 1 A 57 57 LEU C C 55 179.416 177.635 1.781 1 1 647 . 18 1 1 A 57 57 LEU CA C 55 56.088 55.681 0.407 1 1 648 . 18 1 1 A 57 57 LEU CB C 55 42.191 43.645 -1.454 1 1 652 . 18 1 1 A 57 57 LEU N N 55 120.593 123.423 -2.830 1 1 653 . 18 1 1 A 58 58 LYS H H 56 8.720 9.105 -0.385 1 1 654 . 18 1 1 A 58 58 LYS HA H 56 3.911 3.896 0.015 1 1 663 . 18 1 1 A 58 58 LYS C C 56 178.937 178.080 0.857 1 1 664 . 18 1 1 A 58 58 LYS CA C 56 60.301 59.997 0.304 1 1 665 . 18 1 1 A 58 58 LYS CB C 56 32.121 32.430 -0.309 1 1 669 . 18 1 1 A 58 58 LYS N N 56 125.479 126.551 -1.072 1 1 670 . 18 1 1 A 59 59 TRP H H 57 7.811 8.463 -0.652 1 1 671 . 18 1 1 A 59 59 TRP HA H 57 4.664 4.546 0.118 1 1 680 . 18 1 1 A 59 59 TRP C C 57 178.868 179.478 -0.610 1 1 681 . 18 1 1 A 59 59 TRP CA C 57 58.897 59.871 -0.974 1 1 682 . 18 1 1 A 59 59 TRP CB C 57 28.036 28.118 -0.082 1 1 688 . 18 1 1 A 59 59 TRP N N 57 113.433 119.169 -5.736 1 1 690 . 18 1 1 A 60 60 ILE H H 58 6.461 7.335 -0.874 1 1 691 . 18 1 1 A 60 60 ILE HA H 58 3.304 3.474 -0.170 1 1 701 . 18 1 1 A 60 60 ILE C C 58 177.726 177.607 0.119 1 1 702 . 18 1 1 A 60 60 ILE CA C 58 64.314 64.500 -0.186 1 1 703 . 18 1 1 A 60 60 ILE CB C 58 35.897 36.163 -0.266 1 1 707 . 18 1 1 A 60 60 ILE N N 58 124.379 122.459 1.920 1 1 708 . 18 1 1 A 61 61 GLN H H 59 7.624 8.705 -1.081 1 1 709 . 18 1 1 A 61 61 GLN HA H 59 3.748 3.871 -0.123 1 1 716 . 18 1 1 A 61 61 GLN C C 59 178.434 178.949 -0.515 1 1 717 . 18 1 1 A 61 61 GLN CA C 59 59.379 59.008 0.371 1 1 718 . 18 1 1 A 61 61 GLN CB C 59 28.272 28.425 -0.153 1 1 720 . 18 1 1 A 61 61 GLN N N 59 119.070 118.949 0.121 1 1 722 . 18 1 1 A 62 62 GLU H H 60 8.064 7.694 0.370 1 1 723 . 18 1 1 A 62 62 GLU HA H 60 4.083 4.094 -0.011 1 1 728 . 18 1 1 A 62 62 GLU C C 60 179.051 178.639 0.412 1 1 729 . 18 1 1 A 62 62 GLU CA C 60 59.659 58.922 0.737 1 1 730 . 18 1 1 A 62 62 GLU CB C 60 30.457 29.990 0.467 1 1 732 . 18 1 1 A 62 62 GLU N N 60 117.166 120.614 -3.448 1 1 733 . 18 1 1 A 63 63 TYR H H 61 7.924 8.738 -0.814 1 1 734 . 18 1 1 A 63 63 TYR HA H 61 4.254 4.141 0.113 1 1 741 . 18 1 1 A 63 63 TYR C C 61 178.617 177.279 1.338 1 1 742 . 18 1 1 A 63 63 TYR CA C 61 61.184 61.279 -0.095 1 1 743 . 18 1 1 A 63 63 TYR CB C 61 39.461 38.681 0.780 1 1 746 . 18 1 1 A 63 63 TYR N N 61 121.271 122.119 -0.848 1 1 747 . 18 1 1 A 64 64 LEU H H 62 8.260 8.809 -0.549 1 1 748 . 18 1 1 A 64 64 LEU HA H 62 3.954 4.004 -0.050 1 1 758 . 18 1 1 A 64 64 LEU C C 62 179.553 179.064 0.489 1 1 759 . 18 1 1 A 64 64 LEU CA C 62 58.014 58.234 -0.220 1 1 760 . 18 1 1 A 64 64 LEU CB C 62 42.191 41.423 0.768 1 1 764 . 18 1 1 A 64 64 LEU N N 62 116.299 120.195 -3.896 1 1 765 . 18 1 1 A 65 65 GLU H H 63 8.454 8.186 0.268 1 1 766 . 18 1 1 A 65 65 GLU HA H 63 3.840 3.935 -0.095 1 1 771 . 18 1 1 A 65 65 GLU C C 63 179.279 179.294 -0.015 1 1 772 . 18 1 1 A 65 65 GLU CA C 63 60.301 59.882 0.419 1 1 773 . 18 1 1 A 65 65 GLU CB C 63 29.870 29.099 0.771 1 1 775 . 18 1 1 A 65 65 GLU N N 63 118.616 119.111 -0.495 1 1 776 . 18 1 1 A 66 66 LYS H H 64 7.575 8.566 -0.991 1 1 777 . 18 1 1 A 66 66 LYS HA H 64 4.212 4.024 0.188 1 1 786 . 18 1 1 A 66 66 LYS C C 64 178.457 179.269 -0.812 1 1 787 . 18 1 1 A 66 66 LYS CA C 64 58.496 59.220 -0.724 1 1 788 . 18 1 1 A 66 66 LYS CB C 64 32.400 32.092 0.308 1 1 792 . 18 1 1 A 66 66 LYS N N 64 117.166 119.257 -2.091 1 1 793 . 18 1 1 A 67 67 CYS H H 65 7.918 7.938 -0.020 1 1 794 . 18 1 1 A 67 67 CYS HA H 65 4.526 4.195 0.331 1 1 797 . 18 1 1 A 67 67 CYS C C 65 174.893 177.226 -2.333 1 1 798 . 18 1 1 A 67 67 CYS CA C 65 56.329 61.962 -5.633 1 1 799 . 18 1 1 A 67 67 CYS CB C 65 45.235 27.370 17.865 1 1 800 . 18 1 1 A 67 67 CYS N N 65 115.330 119.031 -3.701 1 1 801 . 18 1 1 A 68 68 LEU H H 66 7.559 7.784 -0.225 1 1 802 . 18 1 1 A 68 68 LEU HA H 66 4.490 4.023 0.467 1 1 812 . 18 1 1 A 68 68 LEU C C 66 176.812 177.852 -1.040 1 1 813 . 18 1 1 A 68 68 LEU CA C 66 55.366 57.620 -2.254 1 1 814 . 18 1 1 A 68 68 LEU CB C 66 43.278 41.535 1.743 1 1 818 . 18 1 1 A 68 68 LEU N N 66 120.930 122.656 -1.726 1 1 819 . 18 1 1 A 69 69 ASN H H 67 8.265 7.254 1.011 1 1 820 . 18 1 1 A 69 69 ASN HA H 67 4.669 4.880 -0.211 1 1 825 . 18 1 1 A 69 69 ASN CA C 67 53.761 53.131 0.630 1 1 826 . 18 1 1 A 69 69 ASN CB C 67 39.069 39.707 -0.638 1 1 827 . 18 1 1 A 69 69 ASN N N 67 120.279 115.100 5.179 1 1 852 . 18 2 2 B 4 4 GLU H H 102 8.329 8.752 -0.423 1 1 853 . 18 2 2 B 4 4 GLU HA H 102 4.282 4.507 -0.225 1 1 858 . 18 2 2 B 4 4 GLU C C 102 177.132 177.151 -0.019 1 1 859 . 18 2 2 B 4 4 GLU CA C 102 57.410 55.840 1.570 1 1 861 . 18 2 2 B 4 4 GLU N N 102 121.884 123.008 -1.124 1 1 862 . 18 2 2 B 5 5 GLY H H 103 8.335 8.705 -0.370 1 1 863 . 18 2 2 B 5 5 GLY HA2 H 103 3.941 3.983 -0.042 1 1 864 . 18 2 2 B 5 5 GLY HA3 H 103 3.941 3.984 -0.043 1 1 865 . 18 2 2 B 5 5 GLY C C 103 174.207 174.324 -0.117 1 1 866 . 18 2 2 B 5 5 GLY CA C 103 45.731 45.454 0.277 1 1 867 . 18 2 2 B 5 5 GLY N N 103 110.055 110.490 -0.435 1 1 868 . 18 2 2 B 6 6 ILE H H 104 7.831 7.887 -0.056 1 1 869 . 18 2 2 B 6 6 ILE HA H 104 4.269 4.148 0.121 1 1 879 . 18 2 2 B 6 6 ILE C C 104 176.401 175.429 0.972 1 1 880 . 18 2 2 B 6 6 ILE CA C 104 61.558 60.880 0.678 1 1 881 . 18 2 2 B 6 6 ILE CB C 104 39.436 37.703 1.733 1 1 885 . 18 2 2 B 6 6 ILE N N 104 119.606 122.492 -2.886 1 1 886 . 18 2 2 B 7 7 SER H H 105 8.324 9.111 -0.787 1 1 887 . 18 2 2 B 7 7 SER HA H 105 4.535 5.024 -0.489 1 1 890 . 18 2 2 B 7 7 SER C C 105 174.550 173.633 0.917 1 1 891 . 18 2 2 B 7 7 SER CA C 105 58.667 57.725 0.942 1 1 892 . 18 2 2 B 7 7 SER CB C 105 64.072 64.608 -0.536 1 1 893 . 18 2 2 B 7 7 SER N N 105 119.717 125.688 -5.971 1 1 937 . 18 2 2 B 11 11 SER H H 109 8.211 8.770 -0.559 1 1 938 . 18 2 2 B 11 11 SER HA H 109 4.507 4.591 -0.084 1 1 941 . 18 2 2 B 11 11 SER C C 109 174.504 174.058 0.446 1 1 942 . 18 2 2 B 11 11 SER CA C 109 58.919 59.749 -0.830 1 1 943 . 18 2 2 B 11 11 SER CB C 109 64.198 65.508 -1.310 1 1 944 . 18 2 2 B 11 11 SER N N 109 117.260 119.455 -2.195 1 1 945 . 18 2 2 B 12 12 ASP H H 110 8.323 8.094 0.229 1 1 946 . 18 2 2 B 12 12 ASP HA H 110 4.620 4.352 0.268 1 1 949 . 18 2 2 B 12 12 ASP C C 110 176.058 174.572 1.486 1 1 950 . 18 2 2 B 12 12 ASP CA C 110 55.022 54.856 0.166 1 1 951 . 18 2 2 B 12 12 ASP CB C 110 41.825 39.331 2.494 1 1 952 . 18 2 2 B 12 12 ASP N N 110 122.020 119.167 2.853 1 1 986 . 18 2 2 B 16 16 GLU H H 114 8.378 8.273 0.105 1 1 987 . 18 2 2 B 16 16 GLU HA H 114 4.268 4.454 -0.186 1 1 992 . 18 2 2 B 16 16 GLU C C 114 176.766 176.006 0.760 1 1 993 . 18 2 2 B 16 16 GLU CA C 114 57.410 54.772 2.638 1 1 994 . 18 2 2 B 16 16 GLU CB C 114 30.620 30.223 0.397 1 1 996 . 18 2 2 B 16 16 GLU N N 114 123.052 120.812 2.240 1 1 997 . 18 2 2 B 17 17 GLU H H 115 8.326 8.520 -0.194 1 1 998 . 18 2 2 B 17 17 GLU HA H 115 4.274 4.377 -0.103 1 1 1003 . 18 2 2 B 17 17 GLU C C 115 176.880 176.046 0.834 1 1 1004 . 18 2 2 B 17 17 GLU CA C 115 57.410 56.696 0.714 1 1 1005 . 18 2 2 B 17 17 GLU CB C 115 30.525 29.713 0.812 1 1 1007 . 18 2 2 B 17 17 GLU N N 115 121.688 118.653 3.035 1 1 1008 . 18 2 2 B 18 18 MET H H 116 8.309 8.776 -0.467 1 1 1009 . 18 2 2 B 18 18 MET HA H 116 4.473 4.713 -0.240 1 1 1014 . 18 2 2 B 18 18 MET C C 116 177.086 177.161 -0.075 1 1 1015 . 18 2 2 B 18 18 MET CA C 116 56.279 55.661 0.618 1 1 1016 . 18 2 2 B 18 18 MET CB C 116 33.026 34.672 -1.646 1 1 1017 . 18 2 2 B 18 18 MET N N 116 121.270 122.218 -0.948 1 1 1018 . 18 2 2 B 19 19 GLY H H 117 8.335 7.956 0.379 1 1 1019 . 18 2 2 B 19 19 GLY HA2 H 117 4.054 3.929 0.125 1 1 1020 . 18 2 2 B 19 19 GLY HA3 H 117 4.054 3.929 0.125 1 1 1021 . 18 2 2 B 19 19 GLY C C 117 174.481 172.998 1.483 1 1 1022 . 18 2 2 B 19 19 GLY CA C 117 45.847 46.249 -0.402 1 1 1023 . 18 2 2 B 19 19 GLY N N 117 110.055 107.638 2.417 1 1 1024 . 18 2 2 B 20 20 SER H H 118 8.230 8.451 -0.221 1 1 1025 . 18 2 2 B 20 20 SER HA H 118 4.476 5.161 -0.685 1 1 1028 . 18 2 2 B 20 20 SER C C 118 175.327 173.530 1.797 1 1 1029 . 18 2 2 B 20 20 SER CA C 118 58.919 57.281 1.638 1 1 1030 . 18 2 2 B 20 20 SER CB C 118 64.575 67.257 -2.682 1 1 1031 . 18 2 2 B 20 20 SER N N 118 115.664 116.790 -1.126 1 1 1032 . 18 2 2 B 21 21 GLY H H 119 8.354 8.540 -0.186 1 1 1033 . 18 2 2 B 21 21 GLY HA2 H 119 3.941 4.225 -0.284 1 1 1034 . 18 2 2 B 21 21 GLY HA3 H 119 3.941 4.225 -0.284 1 1 1035 . 18 2 2 B 21 21 GLY C C 119 174.002 173.332 0.670 1 1 1036 . 18 2 2 B 21 21 GLY CA C 119 45.721 45.555 0.166 1 1 1037 . 18 2 2 B 21 21 GLY N N 119 110.872 109.526 1.346 1 1 1068 . 18 2 2 B 25 25 SER H H 123 8.155 8.187 -0.032 1 1 1069 . 18 2 2 B 25 25 SER HA H 123 4.391 4.122 0.269 1 1 1072 . 18 2 2 B 25 25 SER C C 123 175.075 173.223 1.852 1 1 1073 . 18 2 2 B 25 25 SER CA C 123 59.347 59.170 0.177 1 1 1074 . 18 2 2 B 25 25 SER CB C 123 63.879 61.639 2.240 1 1 1075 . 18 2 2 B 25 25 SER N N 123 116.126 114.033 2.093 1 1 1076 . 18 2 2 B 26 26 MET H H 124 8.221 7.896 0.325 1 1 1077 . 18 2 2 B 26 26 MET HA H 124 4.476 5.111 -0.635 1 1 1082 . 18 2 2 B 26 26 MET C C 124 176.355 174.380 1.975 1 1 1083 . 18 2 2 B 26 26 MET CA C 124 56.279 55.345 0.934 1 1 1084 . 18 2 2 B 26 26 MET CB C 124 32.900 35.197 -2.297 1 1 1086 . 18 2 2 B 26 26 MET N N 124 121.210 121.987 -0.777 1 1 1087 . 18 2 2 B 27 27 LYS H H 125 8.025 8.858 -0.833 1 1 1088 . 18 2 2 B 27 27 LYS HA H 125 4.312 5.131 -0.819 1 1 1097 . 18 2 2 B 27 27 LYS C C 125 176.355 174.614 1.741 1 1 1098 . 18 2 2 B 27 27 LYS CA C 125 56.656 54.885 1.771 1 1 1099 . 18 2 2 B 27 27 LYS CB C 125 33.529 36.715 -3.186 1 1 1103 . 18 2 2 B 27 27 LYS N N 125 121.457 125.841 -4.384 1 1 1104 . 18 2 2 B 28 28 GLU H H 126 8.222 8.904 -0.682 1 1 1105 . 18 2 2 B 28 28 GLU N N 126 122.740 121.643 1.097 1 1 1106 . 18 2 2 B 29 29 PRO HA H 127 4.355 4.829 -0.474 1 1 1113 . 18 2 2 B 29 29 PRO C C 127 176.812 176.537 0.275 1 1 1114 . 18 2 2 B 29 29 PRO CA C 127 63.821 62.978 0.843 1 1 1115 . 18 2 2 B 29 29 PRO CB C 127 32.272 33.247 -0.975 1 1 1118 . 18 2 2 B 30 30 ALA H H 128 8.267 8.515 -0.248 1 1 1119 . 18 2 2 B 30 30 ALA HA H 128 4.269 4.524 -0.255 1 1 1123 . 18 2 2 B 30 30 ALA C C 128 177.589 177.602 -0.013 1 1 1124 . 18 2 2 B 30 30 ALA CA C 128 52.873 52.544 0.329 1 1 1125 . 18 2 2 B 30 30 ALA CB C 128 19.703 21.085 -1.382 1 1 1126 . 18 2 2 B 30 30 ALA N N 128 123.577 120.930 2.647 1 1 1127 . 18 2 2 B 31 31 PHE H H 129 8.019 8.276 -0.257 1 1 1128 . 18 2 2 B 31 31 PHE HA H 129 4.621 4.130 0.491 1 1 1136 . 18 2 2 B 31 31 PHE C C 129 175.624 174.277 1.347 1 1 1137 . 18 2 2 B 31 31 PHE CA C 129 58.039 58.844 -0.805 1 1 1138 . 18 2 2 B 31 31 PHE CB C 129 40.055 37.488 2.567 1 1 1142 . 18 2 2 B 31 31 PHE N N 129 118.994 117.319 1.675 1 1 1143 . 18 2 2 B 32 32 ARG H H 130 8.029 7.560 0.469 1 1 1144 . 18 2 2 B 32 32 ARG HA H 130 4.309 4.565 -0.256 1 1 1151 . 18 2 2 B 32 32 ARG C C 130 175.875 173.768 2.107 1 1 1152 . 18 2 2 B 32 32 ARG CA C 130 56.154 54.916 1.238 1 1 1153 . 18 2 2 B 32 32 ARG CB C 130 31.643 34.452 -2.809 1 1 1156 . 18 2 2 B 32 32 ARG N N 130 122.929 118.470 4.459 1 1 1157 . 18 2 2 B 33 33 GLU H H 131 8.374 8.727 -0.353 1 1 1158 . 18 2 2 B 33 33 GLU HA H 131 4.276 4.704 -0.428 1 1 1163 . 18 2 2 B 33 33 GLU C C 131 176.766 176.885 -0.119 1 1 1164 . 18 2 2 B 33 33 GLU CA C 131 57.285 55.487 1.798 1 1 1165 . 18 2 2 B 33 33 GLU CB C 131 30.512 31.616 -1.104 1 1 1167 . 18 2 2 B 33 33 GLU N N 131 122.719 123.699 -0.980 1 1 1168 . 18 2 2 B 34 34 GLU H H 132 8.509 8.967 -0.458 1 1 1169 . 18 2 2 B 34 34 GLU HA H 132 4.271 4.465 -0.194 1 1 1174 . 18 2 2 B 34 34 GLU C C 132 176.560 175.765 0.795 1 1 1175 . 18 2 2 B 34 34 GLU CA C 132 57.400 56.183 1.217 1 1 1176 . 18 2 2 B 34 34 GLU CB C 132 30.530 29.553 0.977 1 1 1178 . 18 2 2 B 34 34 GLU N N 132 122.122 121.955 0.167 1 1 1179 . 18 2 2 B 35 35 ASN H H 133 8.362 8.168 0.194 1 1 1180 . 18 2 2 B 35 35 ASN HA H 133 4.693 4.418 0.275 1 1 1183 . 18 2 2 B 35 35 ASN C C 133 175.258 174.507 0.751 1 1 1184 . 18 2 2 B 35 35 ASN CA C 133 53.765 53.913 -0.148 1 1 1185 . 18 2 2 B 35 35 ASN CB C 133 39.562 36.939 2.623 1 1 1186 . 18 2 2 B 35 35 ASN N N 133 119.552 117.350 2.202 1 1 1187 . 18 2 2 B 36 36 ALA H H 134 8.155 8.378 -0.223 1 1 1188 . 18 2 2 B 36 36 ALA HA H 134 4.265 4.367 -0.102 1 1 1192 . 18 2 2 B 36 36 ALA C C 134 177.520 176.467 1.053 1 1 1193 . 18 2 2 B 36 36 ALA CA C 134 52.873 51.784 1.089 1 1 1194 . 18 2 2 B 36 36 ALA CB C 134 19.703 17.641 2.062 1 1 1195 . 18 2 2 B 36 36 ALA N N 134 124.376 125.829 -1.453 1 1 1196 . 18 2 2 B 37 37 ASN H H 135 8.210 8.546 -0.336 1 1 1197 . 18 2 2 B 37 37 ASN HA H 135 4.688 4.787 -0.099 1 1 1200 . 18 2 2 B 37 37 ASN C C 135 175.144 173.883 1.261 1 1 1201 . 18 2 2 B 37 37 ASN CA C 135 53.640 52.816 0.824 1 1 1202 . 18 2 2 B 37 37 ASN CB C 135 39.311 41.547 -2.236 1 1 1203 . 18 2 2 B 37 37 ASN N N 135 117.103 121.593 -4.490 1 1 1204 . 18 2 2 B 38 38 PHE H H 136 7.997 8.317 -0.320 1 1 1205 . 18 2 2 B 38 38 PHE HA H 136 4.623 4.054 0.569 1 1 1212 . 18 2 2 B 38 38 PHE C C 136 175.601 174.659 0.942 1 1 1213 . 18 2 2 B 38 38 PHE CA C 136 58.165 58.389 -0.224 1 1 1214 . 18 2 2 B 38 38 PHE CB C 136 39.939 36.387 3.552 1 1 1217 . 18 2 2 B 38 38 PHE N N 136 120.229 119.141 1.088 1 1 1218 . 18 2 2 B 39 39 ASN H H 137 8.272 8.047 0.225 1 1 1219 . 18 2 2 B 39 39 ASN HA H 137 4.702 5.034 -0.332 1 1 1222 . 18 2 2 B 39 39 ASN C C 137 174.047 173.697 0.350 1 1 1223 . 18 2 2 B 39 39 ASN CA C 137 53.891 51.927 1.964 1 1 1224 . 18 2 2 B 39 39 ASN CB C 137 39.688 37.976 1.712 1 1 1225 . 18 2 2 B 39 39 ASN N N 137 120.594 117.569 3.025 1 1 3 . 19 1 1 A 4 4 PRO HA H 2 4.510 4.732 -0.222 1 1 10 . 19 1 1 A 4 4 PRO C C 2 177.132 176.901 0.231 1 1 11 . 19 1 1 A 4 4 PRO CA C 2 63.529 62.630 0.899 1 1 12 . 19 1 1 A 4 4 PRO CB C 2 32.476 31.631 0.845 1 1 15 . 19 1 1 A 5 5 VAL H H 3 8.201 8.319 -0.118 1 1 16 . 19 1 1 A 5 5 VAL HA H 3 4.140 4.313 -0.173 1 1 24 . 19 1 1 A 5 5 VAL C C 3 176.423 175.202 1.221 1 1 25 . 19 1 1 A 5 5 VAL CA C 3 62.873 61.500 1.373 1 1 26 . 19 1 1 A 5 5 VAL CB C 3 33.455 31.620 1.835 1 1 28 . 19 1 1 A 5 5 VAL N N 3 120.488 118.832 1.656 1 1 29 . 19 1 1 A 6 6 SER H H 4 8.276 8.380 -0.104 1 1 30 . 19 1 1 A 6 6 SER HA H 4 4.487 5.371 -0.884 1 1 33 . 19 1 1 A 6 6 SER C C 4 174.687 173.216 1.471 1 1 34 . 19 1 1 A 6 6 SER CA C 4 58.375 56.963 1.412 1 1 35 . 19 1 1 A 6 6 SER CB C 4 64.295 64.898 -0.603 1 1 36 . 19 1 1 A 6 6 SER N N 4 119.000 120.420 -1.420 1 1 37 . 19 1 1 A 7 7 LEU H H 5 8.238 8.571 -0.333 1 1 38 . 19 1 1 A 7 7 LEU HA H 5 4.397 4.764 -0.367 1 1 44 . 19 1 1 A 7 7 LEU C C 5 177.406 176.382 1.024 1 1 45 . 19 1 1 A 7 7 LEU CA C 5 55.766 53.766 2.000 1 1 46 . 19 1 1 A 7 7 LEU CB C 5 43.132 45.135 -2.003 1 1 48 . 19 1 1 A 7 7 LEU N N 5 124.704 124.487 0.217 1 1 49 . 19 1 1 A 8 8 SER H H 6 8.148 8.932 -0.784 1 1 50 . 19 1 1 A 8 8 SER HA H 6 4.438 4.587 -0.149 1 1 53 . 19 1 1 A 8 8 SER C C 6 174.321 174.530 -0.209 1 1 54 . 19 1 1 A 8 8 SER CA C 6 58.718 60.456 -1.738 1 1 55 . 19 1 1 A 8 8 SER CB C 6 64.295 63.792 0.503 1 1 56 . 19 1 1 A 8 8 SER N N 6 115.960 114.941 1.019 1 1 57 . 19 1 1 A 9 9 TYR H H 7 7.915 7.588 0.327 1 1 58 . 19 1 1 A 9 9 TYR HA H 7 4.585 4.889 -0.304 1 1 65 . 19 1 1 A 9 9 TYR C C 7 175.532 173.437 2.095 1 1 66 . 19 1 1 A 9 9 TYR CA C 7 58.335 57.070 1.265 1 1 67 . 19 1 1 A 9 9 TYR CB C 7 39.474 40.314 -0.840 1 1 70 . 19 1 1 A 9 9 TYR N N 7 121.884 114.844 7.040 1 1 71 . 19 1 1 A 10 10 ARG H H 8 8.117 8.874 -0.757 1 1 72 . 19 1 1 A 10 10 ARG HA H 8 4.337 4.910 -0.573 1 1 79 . 19 1 1 A 10 10 ARG C C 8 175.898 174.782 1.116 1 1 80 . 19 1 1 A 10 10 ARG CA C 8 56.048 54.073 1.975 1 1 81 . 19 1 1 A 10 10 ARG CB C 8 31.492 34.617 -3.125 1 1 84 . 19 1 1 A 10 10 ARG N N 8 121.977 122.774 -0.797 1 1 85 . 19 1 1 A 11 11 CYS H H 9 8.127 8.775 -0.648 1 1 86 . 19 1 1 A 11 11 CYS HA H 9 4.984 5.087 -0.103 1 1 89 . 19 1 1 A 11 11 CYS C C 9 177.771 173.711 4.060 1 1 90 . 19 1 1 A 11 11 CYS CA C 9 53.192 53.935 -0.743 1 1 91 . 19 1 1 A 11 11 CYS CB C 9 40.897 44.806 -3.909 1 1 92 . 19 1 1 A 11 11 CYS N N 9 121.209 118.696 2.513 1 1 93 . 19 1 1 A 12 12 PRO HA H 10 4.321 4.357 -0.036 1 1 100 . 19 1 1 A 12 12 PRO CA C 10 65.478 65.516 -0.038 1 1 101 . 19 1 1 A 12 12 PRO CB C 10 32.904 31.431 1.473 1 1 104 . 19 1 1 A 13 13 CYS H H 11 8.633 8.247 0.386 1 1 105 . 19 1 1 A 13 13 CYS C C 11 174.618 173.705 0.913 1 1 106 . 19 1 1 A 13 13 CYS N N 11 114.595 116.728 -2.133 1 1 107 . 19 1 1 A 14 14 ARG H H 12 8.236 8.989 -0.753 1 1 108 . 19 1 1 A 14 14 ARG HA H 12 4.067 4.169 -0.102 1 1 115 . 19 1 1 A 14 14 ARG C C 12 175.098 175.435 -0.337 1 1 116 . 19 1 1 A 14 14 ARG CA C 12 57.370 57.678 -0.308 1 1 117 . 19 1 1 A 14 14 ARG CB C 12 31.631 31.285 0.346 1 1 120 . 19 1 1 A 14 14 ARG N N 12 122.779 126.420 -3.641 1 1 121 . 19 1 1 A 15 15 PHE H H 13 7.571 7.717 -0.146 1 1 122 . 19 1 1 A 15 15 PHE HA H 13 4.510 5.114 -0.604 1 1 129 . 19 1 1 A 15 15 PHE C C 13 174.162 174.778 -0.616 1 1 130 . 19 1 1 A 15 15 PHE CA C 13 56.289 56.415 -0.126 1 1 131 . 19 1 1 A 15 15 PHE CB C 13 41.320 43.349 -2.029 1 1 134 . 19 1 1 A 15 15 PHE N N 13 116.797 115.561 1.236 1 1 135 . 19 1 1 A 16 16 PHE H H 14 8.084 8.727 -0.643 1 1 136 . 19 1 1 A 16 16 PHE HA H 14 4.767 5.778 -1.011 1 1 143 . 19 1 1 A 16 16 PHE C C 14 175.441 173.905 1.536 1 1 144 . 19 1 1 A 16 16 PHE CA C 14 55.767 55.273 0.494 1 1 145 . 19 1 1 A 16 16 PHE CB C 14 41.320 42.441 -1.121 1 1 148 . 19 1 1 A 16 16 PHE N N 14 118.930 118.472 0.458 1 1 149 . 19 1 1 A 17 17 GLU H H 15 8.815 9.682 -0.867 1 1 150 . 19 1 1 A 17 17 GLU HA H 15 4.579 4.376 0.203 1 1 155 . 19 1 1 A 17 17 GLU C C 15 176.857 177.674 -0.817 1 1 156 . 19 1 1 A 17 17 GLU CA C 15 56.289 57.489 -1.200 1 1 157 . 19 1 1 A 17 17 GLU CB C 15 31.173 30.169 1.004 1 1 159 . 19 1 1 A 17 17 GLU N N 15 122.929 122.776 0.153 1 1 160 . 19 1 1 A 18 18 SER H H 16 8.751 8.839 -0.088 1 1 161 . 19 1 1 A 18 18 SER HA H 16 4.762 4.881 -0.119 1 1 164 . 19 1 1 A 18 18 SER C C 16 177.497 175.340 2.157 1 1 165 . 19 1 1 A 18 18 SER CA C 16 59.328 57.959 1.369 1 1 166 . 19 1 1 A 18 18 SER CB C 16 64.515 64.448 0.067 1 1 167 . 19 1 1 A 18 18 SER N N 16 118.860 115.737 3.123 1 1 168 . 19 1 1 A 19 19 HIS H H 17 8.761 8.038 0.723 1 1 169 . 19 1 1 A 19 19 HIS HA H 17 4.832 4.978 -0.146 1 1 174 . 19 1 1 A 19 19 HIS C C 17 174.618 174.775 -0.157 1 1 175 . 19 1 1 A 19 19 HIS CA C 17 56.449 55.753 0.696 1 1 176 . 19 1 1 A 19 19 HIS CB C 17 30.214 30.997 -0.783 1 1 179 . 19 1 1 A 19 19 HIS N N 17 120.535 119.122 1.413 1 1 180 . 19 1 1 A 20 20 VAL H H 18 7.085 7.688 -0.603 1 1 181 . 19 1 1 A 20 20 VAL HA H 18 4.160 3.995 0.165 1 1 189 . 19 1 1 A 20 20 VAL C C 18 174.436 175.199 -0.763 1 1 190 . 19 1 1 A 20 20 VAL CA C 18 62.167 62.776 -0.609 1 1 191 . 19 1 1 A 20 20 VAL CB C 18 34.426 32.918 1.508 1 1 193 . 19 1 1 A 20 20 VAL N N 18 120.872 120.493 0.379 1 1 194 . 19 1 1 A 21 21 ALA H H 19 8.521 8.209 0.312 1 1 195 . 19 1 1 A 21 21 ALA HA H 19 4.367 4.343 0.024 1 1 199 . 19 1 1 A 21 21 ALA C C 19 177.657 177.545 0.112 1 1 200 . 19 1 1 A 21 21 ALA CA C 19 51.193 50.443 0.750 1 1 201 . 19 1 1 A 21 21 ALA CB C 19 19.790 20.350 -0.560 1 1 202 . 19 1 1 A 21 21 ALA N N 19 131.339 129.017 2.322 1 1 203 . 19 1 1 A 22 22 ARG H H 20 7.790 7.934 -0.144 1 1 204 . 19 1 1 A 22 22 ARG HA H 20 2.451 2.870 -0.419 1 1 211 . 19 1 1 A 22 22 ARG C C 20 178.365 177.147 1.218 1 1 212 . 19 1 1 A 22 22 ARG CA C 20 59.379 58.522 0.857 1 1 213 . 19 1 1 A 22 22 ARG CB C 20 29.572 29.413 0.159 1 1 216 . 19 1 1 A 22 22 ARG N N 20 124.365 123.070 1.295 1 1 217 . 19 1 1 A 23 23 ALA H H 21 8.120 7.438 0.682 1 1 218 . 19 1 1 A 23 23 ALA HA H 21 4.060 4.134 -0.074 1 1 222 . 19 1 1 A 23 23 ALA C C 21 178.000 177.647 0.353 1 1 223 . 19 1 1 A 23 23 ALA CA C 21 54.100 53.328 0.772 1 1 224 . 19 1 1 A 23 23 ALA CB C 21 18.713 18.738 -0.025 1 1 225 . 19 1 1 A 23 23 ALA N N 21 117.156 120.607 -3.451 1 1 226 . 19 1 1 A 24 24 ASN H H 22 7.707 7.926 -0.219 1 1 227 . 19 1 1 A 24 24 ASN HA H 22 5.010 4.866 0.144 1 1 232 . 19 1 1 A 24 24 ASN C C 22 174.938 174.642 0.296 1 1 233 . 19 1 1 A 24 24 ASN CA C 22 52.869 52.258 0.611 1 1 234 . 19 1 1 A 24 24 ASN CB C 22 40.573 38.780 1.793 1 1 235 . 19 1 1 A 24 24 ASN N N 22 112.819 115.325 -2.506 1 1 237 . 19 1 1 A 25 25 VAL H H 23 7.489 7.270 0.219 1 1 238 . 19 1 1 A 25 25 VAL HA H 23 4.888 4.300 0.588 1 1 246 . 19 1 1 A 25 25 VAL C C 23 175.829 175.677 0.152 1 1 247 . 19 1 1 A 25 25 VAL CA C 23 59.870 60.457 -0.587 1 1 248 . 19 1 1 A 25 25 VAL CB C 23 35.396 33.879 1.517 1 1 251 . 19 1 1 A 25 25 VAL N N 23 119.721 117.751 1.970 1 1 252 . 19 1 1 A 26 26 LYS H H 24 9.480 9.599 -0.119 1 1 253 . 19 1 1 A 26 26 LYS HA H 24 4.353 4.349 0.004 1 1 262 . 19 1 1 A 26 26 LYS C C 24 176.606 176.891 -0.285 1 1 263 . 19 1 1 A 26 26 LYS CA C 24 58.977 58.187 0.790 1 1 264 . 19 1 1 A 26 26 LYS CB C 24 34.567 32.717 1.850 1 1 268 . 19 1 1 A 26 26 LYS N N 24 127.843 121.922 5.921 1 1 269 . 19 1 1 A 27 27 HIS H H 25 7.237 7.971 -0.734 1 1 270 . 19 1 1 A 27 27 HIS HA H 25 4.979 5.585 -0.606 1 1 275 . 19 1 1 A 27 27 HIS C C 25 178.434 172.891 5.543 1 1 276 . 19 1 1 A 27 27 HIS CA C 25 55.406 53.556 1.850 1 1 277 . 19 1 1 A 27 27 HIS CB C 25 32.480 32.948 -0.468 1 1 280 . 19 1 1 A 27 27 HIS N N 25 109.556 112.868 -3.312 1 1 281 . 19 1 1 A 28 28 LEU H H 26 8.189 9.136 -0.947 1 1 282 . 19 1 1 A 28 28 LEU HA H 26 5.190 5.021 0.169 1 1 292 . 19 1 1 A 28 28 LEU C C 26 175.510 175.235 0.275 1 1 293 . 19 1 1 A 28 28 LEU CA C 26 53.480 53.188 0.292 1 1 294 . 19 1 1 A 28 28 LEU CB C 26 45.235 44.242 0.993 1 1 298 . 19 1 1 A 28 28 LEU N N 26 117.260 119.778 -2.518 1 1 299 . 19 1 1 A 29 29 LYS H H 27 9.572 9.698 -0.126 1 1 300 . 19 1 1 A 29 29 LYS HA H 27 5.372 5.067 0.305 1 1 309 . 19 1 1 A 29 29 LYS C C 27 174.801 174.951 -0.150 1 1 310 . 19 1 1 A 29 29 LYS CA C 27 55.165 54.782 0.383 1 1 311 . 19 1 1 A 29 29 LYS CB C 27 35.253 34.878 0.375 1 1 315 . 19 1 1 A 29 29 LYS N N 27 123.488 126.146 -2.658 1 1 316 . 19 1 1 A 30 30 ILE H H 28 9.136 9.045 0.091 1 1 317 . 19 1 1 A 30 30 ILE HA H 28 4.924 4.978 -0.054 1 1 327 . 19 1 1 A 30 30 ILE C C 28 176.949 174.941 2.008 1 1 328 . 19 1 1 A 30 30 ILE CA C 28 60.542 59.560 0.982 1 1 329 . 19 1 1 A 30 30 ILE CB C 28 39.600 38.723 0.877 1 1 333 . 19 1 1 A 30 30 ILE N N 28 123.846 128.144 -4.298 1 1 334 . 19 1 1 A 31 31 LEU H H 29 8.805 9.331 -0.526 1 1 335 . 19 1 1 A 31 31 LEU HA H 29 4.535 4.935 -0.400 1 1 344 . 19 1 1 A 31 31 LEU C C 29 176.012 174.923 1.089 1 1 345 . 19 1 1 A 31 31 LEU CA C 29 55.366 53.834 1.532 1 1 346 . 19 1 1 A 31 31 LEU CB C 29 43.180 43.496 -0.316 1 1 349 . 19 1 1 A 31 31 LEU N N 29 128.649 127.855 0.794 1 1 350 . 19 1 1 A 32 32 ASN H H 30 8.216 8.880 -0.664 1 1 351 . 19 1 1 A 32 32 ASN HA H 30 5.005 4.983 0.022 1 1 356 . 19 1 1 A 32 32 ASN C C 30 174.664 174.370 0.294 1 1 357 . 19 1 1 A 32 32 ASN CA C 30 52.517 52.278 0.239 1 1 358 . 19 1 1 A 32 32 ASN CB C 30 38.776 38.876 -0.100 1 1 359 . 19 1 1 A 32 32 ASN N N 30 120.791 124.163 -3.372 1 1 361 . 19 1 1 A 33 33 THR H H 31 7.883 8.898 -1.015 1 1 362 . 19 1 1 A 33 33 THR HA H 31 4.842 4.982 -0.140 1 1 367 . 19 1 1 A 33 33 THR CA C 31 58.369 59.680 -1.311 1 1 368 . 19 1 1 A 33 33 THR CB C 31 70.018 69.237 0.781 1 1 370 . 19 1 1 A 33 33 THR N N 31 115.811 117.103 -1.292 1 1 371 . 19 1 1 A 34 34 PRO HA H 32 4.317 4.507 -0.190 1 1 378 . 19 1 1 A 34 34 PRO CA C 32 65.164 64.564 0.600 1 1 379 . 19 1 1 A 34 34 PRO CB C 32 32.484 32.093 0.391 1 1 382 . 19 1 1 A 35 35 ASN H H 33 8.259 8.302 -0.043 1 1 383 . 19 1 1 A 35 35 ASN HA H 33 4.651 4.925 -0.274 1 1 388 . 19 1 1 A 35 35 ASN C C 33 174.710 174.492 0.218 1 1 389 . 19 1 1 A 35 35 ASN CA C 33 54.532 52.495 2.037 1 1 390 . 19 1 1 A 35 35 ASN CB C 33 39.167 38.777 0.390 1 1 391 . 19 1 1 A 35 35 ASN N N 33 120.081 115.468 4.613 1 1 393 . 19 1 1 A 36 36 CYS H H 34 7.569 7.668 -0.099 1 1 394 . 19 1 1 A 36 36 CYS HA H 34 4.675 5.019 -0.344 1 1 397 . 19 1 1 A 36 36 CYS C C 34 173.865 172.528 1.337 1 1 398 . 19 1 1 A 36 36 CYS CA C 34 55.447 54.833 0.614 1 1 399 . 19 1 1 A 36 36 CYS CB C 34 45.228 47.617 -2.389 1 1 400 . 19 1 1 A 36 36 CYS N N 34 117.076 116.678 0.398 1 1 401 . 19 1 1 A 37 37 ALA H H 35 8.472 8.527 -0.055 1 1 402 . 19 1 1 A 37 37 ALA HA H 35 4.223 4.206 0.017 1 1 406 . 19 1 1 A 37 37 ALA C C 35 176.423 177.048 -0.625 1 1 407 . 19 1 1 A 37 37 ALA CA C 35 53.537 52.097 1.440 1 1 408 . 19 1 1 A 37 37 ALA CB C 35 19.202 19.554 -0.352 1 1 409 . 19 1 1 A 37 37 ALA N N 35 125.153 124.992 0.161 1 1 410 . 19 1 1 A 38 38 CYS H H 36 8.316 8.348 -0.032 1 1 411 . 19 1 1 A 38 38 CYS HA H 36 4.196 4.473 -0.277 1 1 414 . 19 1 1 A 38 38 CYS C C 36 173.705 173.801 -0.096 1 1 415 . 19 1 1 A 38 38 CYS CA C 36 58.616 58.943 -0.327 1 1 416 . 19 1 1 A 38 38 CYS CB C 36 45.705 27.636 18.069 1 1 417 . 19 1 1 A 38 38 CYS N N 36 118.837 118.883 -0.046 1 1 418 . 19 1 1 A 39 39 GLN H H 37 8.928 8.324 0.604 1 1 419 . 19 1 1 A 39 39 GLN HA H 37 4.596 4.737 -0.141 1 1 426 . 19 1 1 A 39 39 GLN C C 37 173.636 174.334 -0.698 1 1 427 . 19 1 1 A 39 39 GLN CA C 37 54.603 54.761 -0.158 1 1 428 . 19 1 1 A 39 39 GLN CB C 37 31.761 30.189 1.572 1 1 430 . 19 1 1 A 39 39 GLN N N 37 128.567 128.262 0.305 1 1 432 . 19 1 1 A 40 40 ILE H H 38 8.851 8.926 -0.075 1 1 433 . 19 1 1 A 40 40 ILE HA H 38 5.087 4.986 0.101 1 1 443 . 19 1 1 A 40 40 ILE C C 38 174.390 174.626 -0.236 1 1 444 . 19 1 1 A 40 40 ILE CA C 38 60.582 60.006 0.576 1 1 445 . 19 1 1 A 40 40 ILE CB C 38 40.048 40.688 -0.640 1 1 449 . 19 1 1 A 40 40 ILE N N 38 123.962 126.646 -2.684 1 1 450 . 19 1 1 A 41 41 VAL H H 39 9.090 9.628 -0.538 1 1 451 . 19 1 1 A 41 41 VAL HA H 39 4.822 4.923 -0.101 1 1 459 . 19 1 1 A 41 41 VAL C C 39 175.487 174.990 0.497 1 1 460 . 19 1 1 A 41 41 VAL CA C 39 59.980 61.113 -1.133 1 1 461 . 19 1 1 A 41 41 VAL CB C 39 35.868 33.839 2.029 1 1 464 . 19 1 1 A 41 41 VAL N N 39 126.354 128.367 -2.013 1 1 465 . 19 1 1 A 42 42 ALA H H 40 9.513 9.518 -0.005 1 1 466 . 19 1 1 A 42 42 ALA HA H 40 5.137 5.361 -0.224 1 1 470 . 19 1 1 A 42 42 ALA C C 40 175.944 175.764 0.180 1 1 471 . 19 1 1 A 42 42 ALA CA C 40 50.591 50.049 0.542 1 1 472 . 19 1 1 A 42 42 ALA CB C 40 22.432 22.910 -0.478 1 1 473 . 19 1 1 A 42 42 ALA N N 40 128.406 129.203 -0.797 1 1 474 . 19 1 1 A 43 43 ARG H H 41 7.720 7.883 -0.163 1 1 475 . 19 1 1 A 43 43 ARG HA H 41 4.959 4.630 0.329 1 1 482 . 19 1 1 A 43 43 ARG C C 41 175.510 176.088 -0.578 1 1 483 . 19 1 1 A 43 43 ARG CA C 41 54.162 55.381 -1.219 1 1 484 . 19 1 1 A 43 43 ARG CB C 41 31.200 31.436 -0.236 1 1 487 . 19 1 1 A 43 43 ARG N N 41 121.795 121.037 0.758 1 1 488 . 19 1 1 A 44 44 LEU H H 42 9.164 8.753 0.411 1 1 489 . 19 1 1 A 44 44 LEU HA H 42 5.021 4.321 0.700 1 1 499 . 19 1 1 A 44 44 LEU C C 42 177.840 176.553 1.287 1 1 500 . 19 1 1 A 44 44 LEU CA C 42 54.724 55.073 -0.349 1 1 501 . 19 1 1 A 44 44 LEU CB C 42 41.712 42.120 -0.408 1 1 505 . 19 1 1 A 44 44 LEU N N 42 129.087 123.579 5.508 1 1 506 . 19 1 1 A 45 45 LYS H H 43 8.396 9.138 -0.742 1 1 507 . 19 1 1 A 45 45 LYS HA H 43 3.950 4.039 -0.089 1 1 516 . 19 1 1 A 45 45 LYS CA C 43 59.016 57.111 1.905 1 1 517 . 19 1 1 A 45 45 LYS CB C 43 34.102 32.731 1.371 1 1 520 . 19 1 1 A 45 45 LYS N N 43 119.674 123.019 -3.345 1 1 521 . 19 1 1 A 48 48 ASN HA H 46 4.709 5.128 -0.419 1 1 526 . 19 1 1 A 48 48 ASN C C 46 175.098 174.430 0.668 1 1 527 . 19 1 1 A 48 48 ASN CA C 46 54.764 50.880 3.884 1 1 528 . 19 1 1 A 48 48 ASN CB C 46 39.265 41.508 -2.243 1 1 530 . 19 1 1 A 49 49 ARG H H 47 7.923 8.289 -0.366 1 1 531 . 19 1 1 A 49 49 ARG HA H 47 4.368 4.347 0.021 1 1 538 . 19 1 1 A 49 49 ARG C C 47 175.601 175.535 0.066 1 1 539 . 19 1 1 A 49 49 ARG CA C 47 57.051 55.332 1.719 1 1 540 . 19 1 1 A 49 49 ARG CB C 47 32.121 31.173 0.948 1 1 543 . 19 1 1 A 49 49 ARG N N 47 119.826 120.991 -1.165 1 1 544 . 19 1 1 A 50 50 GLN H H 48 8.547 8.801 -0.254 1 1 545 . 19 1 1 A 50 50 GLN HA H 48 5.441 5.075 0.366 1 1 552 . 19 1 1 A 50 50 GLN C C 48 175.578 174.976 0.602 1 1 553 . 19 1 1 A 50 50 GLN CA C 48 55.125 53.830 1.295 1 1 554 . 19 1 1 A 50 50 GLN CB C 48 32.121 32.263 -0.142 1 1 556 . 19 1 1 A 50 50 GLN N N 48 120.767 115.798 4.969 1 1 558 . 19 1 1 A 51 51 VAL H H 49 8.630 9.230 -0.600 1 1 559 . 19 1 1 A 51 51 VAL HA H 49 4.826 4.901 -0.075 1 1 567 . 19 1 1 A 51 51 VAL C C 49 175.258 174.046 1.212 1 1 568 . 19 1 1 A 51 51 VAL CA C 49 59.338 58.991 0.347 1 1 569 . 19 1 1 A 51 51 VAL CB C 49 36.155 35.289 0.866 1 1 572 . 19 1 1 A 51 51 VAL N N 49 116.678 116.306 0.372 1 1 573 . 19 1 1 A 52 52 CYS H H 50 9.095 8.627 0.468 1 1 574 . 19 1 1 A 52 52 CYS HA H 50 5.278 5.323 -0.045 1 1 577 . 19 1 1 A 52 52 CYS C C 50 174.527 172.895 1.632 1 1 578 . 19 1 1 A 52 52 CYS CA C 50 58.054 54.660 3.394 1 1 579 . 19 1 1 A 52 52 CYS CB C 50 43.162 43.855 -0.693 1 1 580 . 19 1 1 A 52 52 CYS N N 50 124.549 119.703 4.846 1 1 581 . 19 1 1 A 53 53 ILE H H 51 8.485 9.484 -0.999 1 1 582 . 19 1 1 A 53 53 ILE HA H 51 4.973 5.071 -0.098 1 1 592 . 19 1 1 A 53 53 ILE C C 51 173.019 174.987 -1.968 1 1 593 . 19 1 1 A 53 53 ILE CA C 51 58.897 59.931 -1.034 1 1 594 . 19 1 1 A 53 53 ILE CB C 51 42.201 41.153 1.048 1 1 598 . 19 1 1 A 53 53 ILE N N 51 122.581 125.017 -2.436 1 1 599 . 19 1 1 A 54 54 ASP H H 52 7.661 8.977 -1.316 1 1 600 . 19 1 1 A 54 54 ASP HA H 52 3.611 4.562 -0.951 1 1 603 . 19 1 1 A 54 54 ASP CA C 52 51.574 51.788 -0.214 1 1 604 . 19 1 1 A 54 54 ASP CB C 52 42.515 41.725 0.790 1 1 605 . 19 1 1 A 54 54 ASP N N 52 125.772 125.928 -0.156 1 1 606 . 19 1 1 A 55 55 PRO HA H 53 4.010 4.348 -0.338 1 1 613 . 19 1 1 A 55 55 PRO C C 53 176.126 176.693 -0.567 1 1 614 . 19 1 1 A 55 55 PRO CA C 53 63.993 64.002 -0.009 1 1 615 . 19 1 1 A 55 55 PRO CB C 53 33.002 31.557 1.445 1 1 618 . 19 1 1 A 56 56 LYS H H 54 7.930 7.697 0.233 1 1 619 . 19 1 1 A 56 56 LYS HA H 54 3.988 4.356 -0.368 1 1 628 . 19 1 1 A 56 56 LYS C C 54 177.931 176.576 1.355 1 1 629 . 19 1 1 A 56 56 LYS CA C 54 56.770 56.371 0.399 1 1 630 . 19 1 1 A 56 56 LYS CB C 54 32.023 33.043 -1.020 1 1 634 . 19 1 1 A 56 56 LYS N N 54 112.924 116.351 -3.427 1 1 635 . 19 1 1 A 57 57 LEU H H 55 7.161 7.137 0.024 1 1 636 . 19 1 1 A 57 57 LEU HA H 55 4.059 4.186 -0.127 1 1 646 . 19 1 1 A 57 57 LEU C C 55 179.416 177.641 1.775 1 1 647 . 19 1 1 A 57 57 LEU CA C 55 56.088 55.263 0.825 1 1 648 . 19 1 1 A 57 57 LEU CB C 55 42.191 41.764 0.427 1 1 652 . 19 1 1 A 57 57 LEU N N 55 120.593 121.262 -0.669 1 1 653 . 19 1 1 A 58 58 LYS H H 56 8.720 8.957 -0.237 1 1 654 . 19 1 1 A 58 58 LYS HA H 56 3.911 3.890 0.021 1 1 663 . 19 1 1 A 58 58 LYS C C 56 178.937 178.272 0.665 1 1 664 . 19 1 1 A 58 58 LYS CA C 56 60.301 59.882 0.419 1 1 665 . 19 1 1 A 58 58 LYS CB C 56 32.121 32.145 -0.024 1 1 669 . 19 1 1 A 58 58 LYS N N 56 125.479 124.767 0.712 1 1 670 . 19 1 1 A 59 59 TRP H H 57 7.811 8.336 -0.525 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 57 178.868 179.348 -0.480 1 1 681 . 19 1 1 A 59 59 TRP CA C 57 58.897 59.865 -0.968 1 1 682 . 19 1 1 A 59 59 TRP CB C 57 28.036 28.079 -0.043 1 1 688 . 19 1 1 A 59 59 TRP N N 57 113.433 118.992 -5.559 1 1 690 . 19 1 1 A 60 60 ILE H H 58 6.461 7.265 -0.804 1 1 691 . 19 1 1 A 60 60 ILE HA H 58 3.304 3.422 -0.118 1 1 701 . 19 1 1 A 60 60 ILE C C 58 177.726 177.709 0.017 1 1 702 . 19 1 1 A 60 60 ILE CA C 58 64.314 64.355 -0.041 1 1 703 . 19 1 1 A 60 60 ILE CB C 58 35.897 36.411 -0.514 1 1 707 . 19 1 1 A 60 60 ILE N N 58 124.379 122.406 1.973 1 1 708 . 19 1 1 A 61 61 GLN H H 59 7.624 8.669 -1.045 1 1 709 . 19 1 1 A 61 61 GLN HA H 59 3.748 3.890 -0.142 1 1 716 . 19 1 1 A 61 61 GLN C C 59 178.434 178.886 -0.452 1 1 717 . 19 1 1 A 61 61 GLN CA C 59 59.379 59.453 -0.074 1 1 718 . 19 1 1 A 61 61 GLN CB C 59 28.272 28.138 0.134 1 1 720 . 19 1 1 A 61 61 GLN N N 59 119.070 118.557 0.513 1 1 722 . 19 1 1 A 62 62 GLU H H 60 8.064 8.255 -0.191 1 1 723 . 19 1 1 A 62 62 GLU HA H 60 4.083 4.087 -0.004 1 1 728 . 19 1 1 A 62 62 GLU C C 60 179.051 178.632 0.419 1 1 729 . 19 1 1 A 62 62 GLU CA C 60 59.659 59.430 0.229 1 1 730 . 19 1 1 A 62 62 GLU CB C 60 30.457 29.600 0.857 1 1 732 . 19 1 1 A 62 62 GLU N N 60 117.166 120.148 -2.982 1 1 733 . 19 1 1 A 63 63 TYR H H 61 7.924 8.180 -0.256 1 1 734 . 19 1 1 A 63 63 TYR HA H 61 4.254 4.193 0.061 1 1 741 . 19 1 1 A 63 63 TYR C C 61 178.617 177.337 1.280 1 1 742 . 19 1 1 A 63 63 TYR CA C 61 61.184 61.384 -0.200 1 1 743 . 19 1 1 A 63 63 TYR CB C 61 39.461 38.757 0.704 1 1 746 . 19 1 1 A 63 63 TYR N N 61 121.271 122.061 -0.790 1 1 747 . 19 1 1 A 64 64 LEU H H 62 8.260 8.977 -0.717 1 1 748 . 19 1 1 A 64 64 LEU HA H 62 3.954 3.937 0.017 1 1 758 . 19 1 1 A 64 64 LEU C C 62 179.553 179.087 0.466 1 1 759 . 19 1 1 A 64 64 LEU CA C 62 58.014 58.201 -0.187 1 1 760 . 19 1 1 A 64 64 LEU CB C 62 42.191 41.436 0.755 1 1 764 . 19 1 1 A 64 64 LEU N N 62 116.299 120.395 -4.096 1 1 765 . 19 1 1 A 65 65 GLU H H 63 8.454 8.192 0.262 1 1 766 . 19 1 1 A 65 65 GLU HA H 63 3.840 3.912 -0.072 1 1 771 . 19 1 1 A 65 65 GLU C C 63 179.279 178.966 0.313 1 1 772 . 19 1 1 A 65 65 GLU CA C 63 60.301 59.874 0.427 1 1 773 . 19 1 1 A 65 65 GLU CB C 63 29.870 29.334 0.536 1 1 775 . 19 1 1 A 65 65 GLU N N 63 118.616 117.525 1.091 1 1 776 . 19 1 1 A 66 66 LYS H H 64 7.575 8.124 -0.549 1 1 777 . 19 1 1 A 66 66 LYS HA H 64 4.212 4.075 0.137 1 1 786 . 19 1 1 A 66 66 LYS C C 64 178.457 178.790 -0.333 1 1 787 . 19 1 1 A 66 66 LYS CA C 64 58.496 58.965 -0.469 1 1 788 . 19 1 1 A 66 66 LYS CB C 64 32.400 32.306 0.094 1 1 792 . 19 1 1 A 66 66 LYS N N 64 117.166 118.163 -0.997 1 1 793 . 19 1 1 A 67 67 CYS H H 65 7.918 7.866 0.052 1 1 794 . 19 1 1 A 67 67 CYS HA H 65 4.526 4.189 0.337 1 1 797 . 19 1 1 A 67 67 CYS C C 65 174.893 177.391 -2.498 1 1 798 . 19 1 1 A 67 67 CYS CA C 65 56.329 61.601 -5.272 1 1 799 . 19 1 1 A 67 67 CYS CB C 65 45.235 27.245 17.990 1 1 800 . 19 1 1 A 67 67 CYS N N 65 115.330 118.389 -3.059 1 1 801 . 19 1 1 A 68 68 LEU H H 66 7.559 7.459 0.100 1 1 802 . 19 1 1 A 68 68 LEU HA H 66 4.490 4.000 0.490 1 1 812 . 19 1 1 A 68 68 LEU C C 66 176.812 176.621 0.191 1 1 813 . 19 1 1 A 68 68 LEU CA C 66 55.366 57.718 -2.352 1 1 814 . 19 1 1 A 68 68 LEU CB C 66 43.278 41.893 1.385 1 1 818 . 19 1 1 A 68 68 LEU N N 66 120.930 122.472 -1.542 1 1 819 . 19 1 1 A 69 69 ASN H H 67 8.265 8.025 0.240 1 1 820 . 19 1 1 A 69 69 ASN HA H 67 4.669 5.108 -0.439 1 1 825 . 19 1 1 A 69 69 ASN CA C 67 53.761 52.246 1.515 1 1 826 . 19 1 1 A 69 69 ASN CB C 67 39.069 39.773 -0.704 1 1 827 . 19 1 1 A 69 69 ASN N N 67 120.279 115.370 4.909 1 1 852 . 19 2 2 B 4 4 GLU H H 102 8.329 7.885 0.444 1 1 853 . 19 2 2 B 4 4 GLU HA H 102 4.282 4.907 -0.625 1 1 858 . 19 2 2 B 4 4 GLU C C 102 177.132 174.563 2.569 1 1 859 . 19 2 2 B 4 4 GLU CA C 102 57.410 55.464 1.946 1 1 861 . 19 2 2 B 4 4 GLU N N 102 121.884 117.221 4.663 1 1 862 . 19 2 2 B 5 5 GLY H H 103 8.335 9.083 -0.748 1 1 863 . 19 2 2 B 5 5 GLY HA2 H 103 3.941 4.212 -0.271 1 1 864 . 19 2 2 B 5 5 GLY HA3 H 103 3.941 4.215 -0.274 1 1 865 . 19 2 2 B 5 5 GLY C C 103 174.207 172.258 1.949 1 1 866 . 19 2 2 B 5 5 GLY CA C 103 45.731 44.173 1.558 1 1 867 . 19 2 2 B 5 5 GLY N N 103 110.055 112.160 -2.105 1 1 868 . 19 2 2 B 6 6 ILE H H 104 7.831 8.586 -0.755 1 1 869 . 19 2 2 B 6 6 ILE HA H 104 4.269 4.546 -0.277 1 1 879 . 19 2 2 B 6 6 ILE C C 104 176.401 174.472 1.929 1 1 880 . 19 2 2 B 6 6 ILE CA C 104 61.558 60.546 1.012 1 1 881 . 19 2 2 B 6 6 ILE CB C 104 39.436 36.120 3.316 1 1 885 . 19 2 2 B 6 6 ILE N N 104 119.606 125.090 -5.484 1 1 886 . 19 2 2 B 7 7 SER H H 105 8.324 7.739 0.585 1 1 887 . 19 2 2 B 7 7 SER HA H 105 4.535 5.054 -0.519 1 1 890 . 19 2 2 B 7 7 SER C C 105 174.550 172.664 1.886 1 1 891 . 19 2 2 B 7 7 SER CA C 105 58.667 57.885 0.782 1 1 892 . 19 2 2 B 7 7 SER CB C 105 64.072 65.608 -1.536 1 1 893 . 19 2 2 B 7 7 SER N N 105 119.717 120.705 -0.988 1 1 937 . 19 2 2 B 11 11 SER H H 109 8.211 8.705 -0.494 1 1 938 . 19 2 2 B 11 11 SER HA H 109 4.507 4.914 -0.407 1 1 941 . 19 2 2 B 11 11 SER C C 109 174.504 174.734 -0.230 1 1 942 . 19 2 2 B 11 11 SER CA C 109 58.919 57.522 1.397 1 1 943 . 19 2 2 B 11 11 SER CB C 109 64.198 64.354 -0.156 1 1 944 . 19 2 2 B 11 11 SER N N 109 117.260 122.485 -5.225 1 1 945 . 19 2 2 B 12 12 ASP H H 110 8.323 8.015 0.308 1 1 946 . 19 2 2 B 12 12 ASP HA H 110 4.620 4.249 0.371 1 1 949 . 19 2 2 B 12 12 ASP C C 110 176.058 176.049 0.009 1 1 950 . 19 2 2 B 12 12 ASP CA C 110 55.022 57.049 -2.027 1 1 951 . 19 2 2 B 12 12 ASP CB C 110 41.825 41.561 0.264 1 1 952 . 19 2 2 B 12 12 ASP N N 110 122.020 122.604 -0.584 1 1 986 . 19 2 2 B 16 16 GLU H H 114 8.378 7.764 0.614 1 1 987 . 19 2 2 B 16 16 GLU HA H 114 4.268 4.863 -0.595 1 1 992 . 19 2 2 B 16 16 GLU C C 114 176.766 174.995 1.771 1 1 993 . 19 2 2 B 16 16 GLU CA C 114 57.410 54.972 2.438 1 1 994 . 19 2 2 B 16 16 GLU CB C 114 30.620 33.817 -3.197 1 1 996 . 19 2 2 B 16 16 GLU N N 114 123.052 120.740 2.312 1 1 997 . 19 2 2 B 17 17 GLU H H 115 8.326 8.745 -0.419 1 1 998 . 19 2 2 B 17 17 GLU HA H 115 4.274 5.137 -0.863 1 1 1003 . 19 2 2 B 17 17 GLU C C 115 176.880 174.574 2.306 1 1 1004 . 19 2 2 B 17 17 GLU CA C 115 57.410 54.884 2.526 1 1 1005 . 19 2 2 B 17 17 GLU CB C 115 30.525 32.087 -1.562 1 1 1007 . 19 2 2 B 17 17 GLU N N 115 121.688 120.907 0.781 1 1 1008 . 19 2 2 B 18 18 MET H H 116 8.309 9.046 -0.737 1 1 1009 . 19 2 2 B 18 18 MET HA H 116 4.473 5.295 -0.822 1 1 1014 . 19 2 2 B 18 18 MET C C 116 177.086 175.283 1.803 1 1 1015 . 19 2 2 B 18 18 MET CA C 116 56.279 54.008 2.271 1 1 1016 . 19 2 2 B 18 18 MET CB C 116 33.026 35.823 -2.797 1 1 1017 . 19 2 2 B 18 18 MET N N 116 121.270 125.792 -4.522 1 1 1018 . 19 2 2 B 19 19 GLY H H 117 8.335 8.431 -0.096 1 1 1019 . 19 2 2 B 19 19 GLY HA2 H 117 4.054 4.251 -0.197 1 1 1020 . 19 2 2 B 19 19 GLY HA3 H 117 4.054 4.251 -0.197 1 1 1021 . 19 2 2 B 19 19 GLY C C 117 174.481 173.639 0.842 1 1 1022 . 19 2 2 B 19 19 GLY CA C 117 45.847 45.995 -0.148 1 1 1023 . 19 2 2 B 19 19 GLY N N 117 110.055 112.521 -2.466 1 1 1024 . 19 2 2 B 20 20 SER H H 118 8.230 9.101 -0.871 1 1 1025 . 19 2 2 B 20 20 SER HA H 118 4.476 4.556 -0.080 1 1 1028 . 19 2 2 B 20 20 SER C C 118 175.327 174.636 0.691 1 1 1029 . 19 2 2 B 20 20 SER CA C 118 58.919 58.893 0.026 1 1 1030 . 19 2 2 B 20 20 SER CB C 118 64.575 65.234 -0.659 1 1 1031 . 19 2 2 B 20 20 SER N N 118 115.664 116.714 -1.050 1 1 1032 . 19 2 2 B 21 21 GLY H H 119 8.354 7.653 0.701 1 1 1033 . 19 2 2 B 21 21 GLY HA2 H 119 3.941 3.995 -0.054 1 1 1034 . 19 2 2 B 21 21 GLY HA3 H 119 3.941 3.995 -0.054 1 1 1035 . 19 2 2 B 21 21 GLY C C 119 174.002 174.823 -0.821 1 1 1036 . 19 2 2 B 21 21 GLY CA C 119 45.721 45.381 0.340 1 1 1037 . 19 2 2 B 21 21 GLY N N 119 110.872 108.804 2.068 1 1 1068 . 19 2 2 B 25 25 SER H H 123 8.155 8.238 -0.083 1 1 1069 . 19 2 2 B 25 25 SER HA H 123 4.391 4.074 0.317 1 1 1072 . 19 2 2 B 25 25 SER C C 123 175.075 172.845 2.230 1 1 1073 . 19 2 2 B 25 25 SER CA C 123 59.347 59.550 -0.203 1 1 1074 . 19 2 2 B 25 25 SER CB C 123 63.879 62.481 1.398 1 1 1075 . 19 2 2 B 25 25 SER N N 123 116.126 113.784 2.342 1 1 1076 . 19 2 2 B 26 26 MET H H 124 8.221 7.510 0.711 1 1 1077 . 19 2 2 B 26 26 MET HA H 124 4.476 5.053 -0.577 1 1 1082 . 19 2 2 B 26 26 MET C C 124 176.355 175.041 1.314 1 1 1083 . 19 2 2 B 26 26 MET CA C 124 56.279 54.709 1.570 1 1 1084 . 19 2 2 B 26 26 MET CB C 124 32.900 35.093 -2.193 1 1 1086 . 19 2 2 B 26 26 MET N N 124 121.210 119.170 2.040 1 1 1087 . 19 2 2 B 27 27 LYS H H 125 8.025 8.832 -0.807 1 1 1088 . 19 2 2 B 27 27 LYS HA H 125 4.312 4.990 -0.678 1 1 1097 . 19 2 2 B 27 27 LYS C C 125 176.355 174.981 1.374 1 1 1098 . 19 2 2 B 27 27 LYS CA C 125 56.656 54.164 2.492 1 1 1099 . 19 2 2 B 27 27 LYS CB C 125 33.529 36.922 -3.393 1 1 1103 . 19 2 2 B 27 27 LYS N N 125 121.457 122.913 -1.456 1 1 1104 . 19 2 2 B 28 28 GLU H H 126 8.222 8.993 -0.771 1 1 1105 . 19 2 2 B 28 28 GLU N N 126 122.740 118.327 4.413 1 1 1106 . 19 2 2 B 29 29 PRO HA H 127 4.355 4.549 -0.194 1 1 1113 . 19 2 2 B 29 29 PRO C C 127 176.812 175.942 0.870 1 1 1114 . 19 2 2 B 29 29 PRO CA C 127 63.821 62.714 1.107 1 1 1115 . 19 2 2 B 29 29 PRO CB C 127 32.272 32.348 -0.076 1 1 1118 . 19 2 2 B 30 30 ALA H H 128 8.267 8.693 -0.426 1 1 1119 . 19 2 2 B 30 30 ALA HA H 128 4.269 4.510 -0.241 1 1 1123 . 19 2 2 B 30 30 ALA C C 128 177.589 177.775 -0.186 1 1 1124 . 19 2 2 B 30 30 ALA CA C 128 52.873 50.662 2.211 1 1 1125 . 19 2 2 B 30 30 ALA CB C 128 19.703 18.489 1.214 1 1 1126 . 19 2 2 B 30 30 ALA N N 128 123.577 125.761 -2.184 1 1 1127 . 19 2 2 B 31 31 PHE H H 129 8.019 9.078 -1.059 1 1 1128 . 19 2 2 B 31 31 PHE HA H 129 4.621 4.522 0.099 1 1 1136 . 19 2 2 B 31 31 PHE C C 129 175.624 175.098 0.526 1 1 1137 . 19 2 2 B 31 31 PHE CA C 129 58.039 59.682 -1.643 1 1 1138 . 19 2 2 B 31 31 PHE CB C 129 40.055 39.957 0.098 1 1 1142 . 19 2 2 B 31 31 PHE N N 129 118.994 125.968 -6.974 1 1 1143 . 19 2 2 B 32 32 ARG H H 130 8.029 7.534 0.495 1 1 1144 . 19 2 2 B 32 32 ARG HA H 130 4.309 4.715 -0.406 1 1 1151 . 19 2 2 B 32 32 ARG C C 130 175.875 175.590 0.285 1 1 1152 . 19 2 2 B 32 32 ARG CA C 130 56.154 53.934 2.220 1 1 1153 . 19 2 2 B 32 32 ARG CB C 130 31.643 34.889 -3.246 1 1 1156 . 19 2 2 B 32 32 ARG N N 130 122.929 118.483 4.446 1 1 1157 . 19 2 2 B 33 33 GLU H H 131 8.374 8.426 -0.052 1 1 1158 . 19 2 2 B 33 33 GLU HA H 131 4.276 4.333 -0.057 1 1 1163 . 19 2 2 B 33 33 GLU C C 131 176.766 176.969 -0.203 1 1 1164 . 19 2 2 B 33 33 GLU CA C 131 57.285 56.873 0.412 1 1 1165 . 19 2 2 B 33 33 GLU CB C 131 30.512 30.228 0.284 1 1 1167 . 19 2 2 B 33 33 GLU N N 131 122.719 121.405 1.314 1 1 1168 . 19 2 2 B 34 34 GLU H H 132 8.509 8.531 -0.022 1 1 1169 . 19 2 2 B 34 34 GLU HA H 132 4.271 4.400 -0.129 1 1 1174 . 19 2 2 B 34 34 GLU C C 132 176.560 176.857 -0.297 1 1 1175 . 19 2 2 B 34 34 GLU CA C 132 57.400 56.624 0.776 1 1 1176 . 19 2 2 B 34 34 GLU CB C 132 30.530 30.465 0.065 1 1 1178 . 19 2 2 B 34 34 GLU N N 132 122.122 122.618 -0.496 1 1 1179 . 19 2 2 B 35 35 ASN H H 133 8.362 8.486 -0.124 1 1 1180 . 19 2 2 B 35 35 ASN HA H 133 4.693 4.482 0.211 1 1 1183 . 19 2 2 B 35 35 ASN C C 133 175.258 175.304 -0.046 1 1 1184 . 19 2 2 B 35 35 ASN CA C 133 53.765 55.982 -2.217 1 1 1185 . 19 2 2 B 35 35 ASN CB C 133 39.562 39.009 0.553 1 1 1186 . 19 2 2 B 35 35 ASN N N 133 119.552 121.369 -1.817 1 1 1187 . 19 2 2 B 36 36 ALA H H 134 8.155 7.663 0.492 1 1 1188 . 19 2 2 B 36 36 ALA HA H 134 4.265 4.539 -0.274 1 1 1192 . 19 2 2 B 36 36 ALA C C 134 177.520 175.865 1.655 1 1 1193 . 19 2 2 B 36 36 ALA CA C 134 52.873 51.460 1.413 1 1 1194 . 19 2 2 B 36 36 ALA CB C 134 19.703 21.381 -1.678 1 1 1195 . 19 2 2 B 36 36 ALA N N 134 124.376 115.913 8.463 1 1 1196 . 19 2 2 B 37 37 ASN H H 135 8.210 8.961 -0.751 1 1 1197 . 19 2 2 B 37 37 ASN HA H 135 4.688 5.435 -0.747 1 1 1200 . 19 2 2 B 37 37 ASN C C 135 175.144 174.071 1.073 1 1 1201 . 19 2 2 B 37 37 ASN CA C 135 53.640 51.296 2.344 1 1 1202 . 19 2 2 B 37 37 ASN CB C 135 39.311 41.464 -2.153 1 1 1203 . 19 2 2 B 37 37 ASN N N 135 117.103 119.089 -1.986 1 1 1204 . 19 2 2 B 38 38 PHE H H 136 7.997 9.016 -1.019 1 1 1205 . 19 2 2 B 38 38 PHE HA H 136 4.623 5.032 -0.409 1 1 1212 . 19 2 2 B 38 38 PHE C C 136 175.601 174.116 1.485 1 1 1213 . 19 2 2 B 38 38 PHE CA C 136 58.165 56.171 1.994 1 1 1214 . 19 2 2 B 38 38 PHE CB C 136 39.939 39.003 0.936 1 1 1217 . 19 2 2 B 38 38 PHE N N 136 120.229 119.720 0.509 1 1 1218 . 19 2 2 B 39 39 ASN H H 137 8.272 9.084 -0.812 1 1 1219 . 19 2 2 B 39 39 ASN HA H 137 4.702 5.149 -0.447 1 1 1222 . 19 2 2 B 39 39 ASN C C 137 174.047 174.498 -0.451 1 1 1223 . 19 2 2 B 39 39 ASN CA C 137 53.891 52.493 1.398 1 1 1224 . 19 2 2 B 39 39 ASN CB C 137 39.688 40.447 -0.759 1 1 1225 . 19 2 2 B 39 39 ASN N N 137 120.594 124.031 -3.437 1 1 3 . 20 1 1 A 4 4 PRO HA H 2 4.510 4.777 -0.267 1 1 10 . 20 1 1 A 4 4 PRO C C 2 177.132 176.192 0.940 1 1 11 . 20 1 1 A 4 4 PRO CA C 2 63.529 62.547 0.982 1 1 12 . 20 1 1 A 4 4 PRO CB C 2 32.476 31.654 0.822 1 1 15 . 20 1 1 A 5 5 VAL H H 3 8.201 8.361 -0.160 1 1 16 . 20 1 1 A 5 5 VAL HA H 3 4.140 4.358 -0.218 1 1 24 . 20 1 1 A 5 5 VAL C C 3 176.423 174.972 1.451 1 1 25 . 20 1 1 A 5 5 VAL CA C 3 62.873 61.670 1.203 1 1 26 . 20 1 1 A 5 5 VAL CB C 3 33.455 30.747 2.708 1 1 28 . 20 1 1 A 5 5 VAL N N 3 120.488 124.746 -4.258 1 1 29 . 20 1 1 A 6 6 SER H H 4 8.276 8.023 0.253 1 1 30 . 20 1 1 A 6 6 SER HA H 4 4.487 5.122 -0.635 1 1 33 . 20 1 1 A 6 6 SER C C 4 174.687 173.692 0.995 1 1 34 . 20 1 1 A 6 6 SER CA C 4 58.375 56.726 1.649 1 1 35 . 20 1 1 A 6 6 SER CB C 4 64.295 66.286 -1.991 1 1 36 . 20 1 1 A 6 6 SER N N 4 119.000 120.324 -1.324 1 1 37 . 20 1 1 A 7 7 LEU H H 5 8.238 8.258 -0.020 1 1 38 . 20 1 1 A 7 7 LEU HA H 5 4.397 4.638 -0.241 1 1 44 . 20 1 1 A 7 7 LEU C C 5 177.406 176.222 1.184 1 1 45 . 20 1 1 A 7 7 LEU CA C 5 55.766 53.720 2.046 1 1 46 . 20 1 1 A 7 7 LEU CB C 5 43.132 43.906 -0.774 1 1 48 . 20 1 1 A 7 7 LEU N N 5 124.704 119.723 4.981 1 1 49 . 20 1 1 A 8 8 SER H H 6 8.148 8.543 -0.395 1 1 50 . 20 1 1 A 8 8 SER HA H 6 4.438 5.115 -0.677 1 1 53 . 20 1 1 A 8 8 SER C C 6 174.321 172.718 1.603 1 1 54 . 20 1 1 A 8 8 SER CA C 6 58.718 56.321 2.397 1 1 55 . 20 1 1 A 8 8 SER CB C 6 64.295 66.033 -1.738 1 1 56 . 20 1 1 A 8 8 SER N N 6 115.960 113.501 2.459 1 1 57 . 20 1 1 A 9 9 TYR H H 7 7.915 8.892 -0.977 1 1 58 . 20 1 1 A 9 9 TYR HA H 7 4.585 4.757 -0.172 1 1 65 . 20 1 1 A 9 9 TYR C C 7 175.532 174.617 0.915 1 1 66 . 20 1 1 A 9 9 TYR CA C 7 58.335 56.720 1.615 1 1 67 . 20 1 1 A 9 9 TYR CB C 7 39.474 36.532 2.942 1 1 70 . 20 1 1 A 9 9 TYR N N 7 121.884 122.116 -0.232 1 1 71 . 20 1 1 A 10 10 ARG H H 8 8.117 8.331 -0.214 1 1 72 . 20 1 1 A 10 10 ARG HA H 8 4.337 4.919 -0.582 1 1 79 . 20 1 1 A 10 10 ARG C C 8 175.898 173.747 2.151 1 1 80 . 20 1 1 A 10 10 ARG CA C 8 56.048 54.182 1.866 1 1 81 . 20 1 1 A 10 10 ARG CB C 8 31.492 33.880 -2.388 1 1 84 . 20 1 1 A 10 10 ARG N N 8 121.977 124.696 -2.719 1 1 85 . 20 1 1 A 11 11 CYS H H 9 8.127 8.595 -0.468 1 1 86 . 20 1 1 A 11 11 CYS HA H 9 4.984 5.007 -0.023 1 1 89 . 20 1 1 A 11 11 CYS C C 9 177.771 173.871 3.900 1 1 90 . 20 1 1 A 11 11 CYS CA C 9 53.192 53.306 -0.114 1 1 91 . 20 1 1 A 11 11 CYS CB C 9 40.897 44.376 -3.479 1 1 92 . 20 1 1 A 11 11 CYS N N 9 121.209 123.166 -1.957 1 1 93 . 20 1 1 A 12 12 PRO HA H 10 4.321 4.326 -0.005 1 1 100 . 20 1 1 A 12 12 PRO CA C 10 65.478 65.593 -0.115 1 1 101 . 20 1 1 A 12 12 PRO CB C 10 32.904 31.284 1.620 1 1 104 . 20 1 1 A 13 13 CYS H H 11 8.633 8.080 0.553 1 1 105 . 20 1 1 A 13 13 CYS C C 11 174.618 173.507 1.111 1 1 106 . 20 1 1 A 13 13 CYS N N 11 114.595 116.121 -1.526 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 4.221 -0.154 1 1 115 . 20 1 1 A 14 14 ARG C C 12 175.098 175.788 -0.690 1 1 116 . 20 1 1 A 14 14 ARG CA C 12 57.370 57.640 -0.270 1 1 117 . 20 1 1 A 14 14 ARG CB C 12 31.631 31.244 0.387 1 1 120 . 20 1 1 A 14 14 ARG N N 12 122.779 125.564 -2.785 1 1 121 . 20 1 1 A 15 15 PHE H H 13 7.571 8.102 -0.531 1 1 122 . 20 1 1 A 15 15 PHE HA H 13 4.510 4.931 -0.421 1 1 129 . 20 1 1 A 15 15 PHE C C 13 174.162 175.330 -1.168 1 1 130 . 20 1 1 A 15 15 PHE CA C 13 56.289 57.193 -0.904 1 1 131 . 20 1 1 A 15 15 PHE CB C 13 41.320 41.343 -0.023 1 1 134 . 20 1 1 A 15 15 PHE N N 13 116.797 116.571 0.226 1 1 135 . 20 1 1 A 16 16 PHE H H 14 8.084 8.815 -0.731 1 1 136 . 20 1 1 A 16 16 PHE HA H 14 4.767 5.675 -0.908 1 1 143 . 20 1 1 A 16 16 PHE C C 14 175.441 174.180 1.261 1 1 144 . 20 1 1 A 16 16 PHE CA C 14 55.767 55.275 0.492 1 1 145 . 20 1 1 A 16 16 PHE CB C 14 41.320 42.615 -1.295 1 1 148 . 20 1 1 A 16 16 PHE N N 14 118.930 117.502 1.428 1 1 149 . 20 1 1 A 17 17 GLU H H 15 8.815 9.582 -0.767 1 1 150 . 20 1 1 A 17 17 GLU HA H 15 4.579 4.385 0.194 1 1 155 . 20 1 1 A 17 17 GLU C C 15 176.857 176.947 -0.090 1 1 156 . 20 1 1 A 17 17 GLU CA C 15 56.289 57.212 -0.923 1 1 157 . 20 1 1 A 17 17 GLU CB C 15 31.173 30.396 0.777 1 1 159 . 20 1 1 A 17 17 GLU N N 15 122.929 121.275 1.654 1 1 160 . 20 1 1 A 18 18 SER H H 16 8.751 8.796 -0.045 1 1 161 . 20 1 1 A 18 18 SER HA H 16 4.762 4.830 -0.068 1 1 164 . 20 1 1 A 18 18 SER C C 16 177.497 174.497 3.000 1 1 165 . 20 1 1 A 18 18 SER CA C 16 59.328 58.735 0.593 1 1 166 . 20 1 1 A 18 18 SER CB C 16 64.515 64.687 -0.172 1 1 167 . 20 1 1 A 18 18 SER N N 16 118.860 114.738 4.122 1 1 168 . 20 1 1 A 19 19 HIS H H 17 8.761 8.269 0.492 1 1 169 . 20 1 1 A 19 19 HIS HA H 17 4.832 4.773 0.059 1 1 174 . 20 1 1 A 19 19 HIS C C 17 174.618 173.994 0.624 1 1 175 . 20 1 1 A 19 19 HIS CA C 17 56.449 54.980 1.469 1 1 176 . 20 1 1 A 19 19 HIS CB C 17 30.214 27.854 2.360 1 1 179 . 20 1 1 A 19 19 HIS N N 17 120.535 118.817 1.718 1 1 180 . 20 1 1 A 20 20 VAL H H 18 7.085 8.441 -1.356 1 1 181 . 20 1 1 A 20 20 VAL HA H 18 4.160 4.782 -0.622 1 1 189 . 20 1 1 A 20 20 VAL C C 18 174.436 173.557 0.879 1 1 190 . 20 1 1 A 20 20 VAL CA C 18 62.167 60.041 2.126 1 1 191 . 20 1 1 A 20 20 VAL CB C 18 34.426 35.882 -1.456 1 1 193 . 20 1 1 A 20 20 VAL N N 18 120.872 123.708 -2.836 1 1 194 . 20 1 1 A 21 21 ALA H H 19 8.521 8.263 0.258 1 1 195 . 20 1 1 A 21 21 ALA HA H 19 4.367 4.442 -0.075 1 1 199 . 20 1 1 A 21 21 ALA C C 19 177.657 178.247 -0.590 1 1 200 . 20 1 1 A 21 21 ALA CA C 19 51.193 50.412 0.781 1 1 201 . 20 1 1 A 21 21 ALA CB C 19 19.790 20.256 -0.466 1 1 202 . 20 1 1 A 21 21 ALA N N 19 131.339 128.673 2.666 1 1 203 . 20 1 1 A 22 22 ARG H H 20 7.790 8.251 -0.461 1 1 204 . 20 1 1 A 22 22 ARG HA H 20 2.451 3.322 -0.871 1 1 211 . 20 1 1 A 22 22 ARG C C 20 178.365 176.830 1.535 1 1 212 . 20 1 1 A 22 22 ARG CA C 20 59.379 57.995 1.384 1 1 213 . 20 1 1 A 22 22 ARG CB C 20 29.572 29.609 -0.037 1 1 216 . 20 1 1 A 22 22 ARG N N 20 124.365 123.223 1.142 1 1 217 . 20 1 1 A 23 23 ALA H H 21 8.120 7.472 0.648 1 1 218 . 20 1 1 A 23 23 ALA HA H 21 4.060 4.156 -0.096 1 1 222 . 20 1 1 A 23 23 ALA C C 21 178.000 177.871 0.129 1 1 223 . 20 1 1 A 23 23 ALA CA C 21 54.100 53.228 0.872 1 1 224 . 20 1 1 A 23 23 ALA CB C 21 18.713 18.702 0.011 1 1 225 . 20 1 1 A 23 23 ALA N N 21 117.156 120.559 -3.403 1 1 226 . 20 1 1 A 24 24 ASN H H 22 7.707 7.965 -0.258 1 1 227 . 20 1 1 A 24 24 ASN HA H 22 5.010 4.821 0.189 1 1 232 . 20 1 1 A 24 24 ASN C C 22 174.938 174.961 -0.023 1 1 233 . 20 1 1 A 24 24 ASN CA C 22 52.869 52.652 0.217 1 1 234 . 20 1 1 A 24 24 ASN CB C 22 40.573 39.479 1.094 1 1 235 . 20 1 1 A 24 24 ASN N N 22 112.819 115.176 -2.357 1 1 237 . 20 1 1 A 25 25 VAL H H 23 7.489 6.909 0.580 1 1 238 . 20 1 1 A 25 25 VAL HA H 23 4.888 4.282 0.606 1 1 246 . 20 1 1 A 25 25 VAL C C 23 175.829 175.561 0.268 1 1 247 . 20 1 1 A 25 25 VAL CA C 23 59.870 60.439 -0.569 1 1 248 . 20 1 1 A 25 25 VAL CB C 23 35.396 33.456 1.940 1 1 251 . 20 1 1 A 25 25 VAL N N 23 119.721 119.567 0.154 1 1 252 . 20 1 1 A 26 26 LYS H H 24 9.480 9.259 0.221 1 1 253 . 20 1 1 A 26 26 LYS HA H 24 4.353 4.436 -0.083 1 1 262 . 20 1 1 A 26 26 LYS C C 24 176.606 176.813 -0.207 1 1 263 . 20 1 1 A 26 26 LYS CA C 24 58.977 57.605 1.372 1 1 264 . 20 1 1 A 26 26 LYS CB C 24 34.567 33.207 1.360 1 1 268 . 20 1 1 A 26 26 LYS N N 24 127.843 127.047 0.796 1 1 269 . 20 1 1 A 27 27 HIS H H 25 7.237 7.325 -0.088 1 1 270 . 20 1 1 A 27 27 HIS HA H 25 4.979 5.330 -0.351 1 1 275 . 20 1 1 A 27 27 HIS C C 25 178.434 172.586 5.848 1 1 276 . 20 1 1 A 27 27 HIS CA C 25 55.406 54.202 1.204 1 1 277 . 20 1 1 A 27 27 HIS CB C 25 32.480 33.675 -1.195 1 1 280 . 20 1 1 A 27 27 HIS N N 25 109.556 114.006 -4.450 1 1 281 . 20 1 1 A 28 28 LEU H H 26 8.189 9.037 -0.848 1 1 282 . 20 1 1 A 28 28 LEU HA H 26 5.190 5.058 0.132 1 1 292 . 20 1 1 A 28 28 LEU C C 26 175.510 175.025 0.485 1 1 293 . 20 1 1 A 28 28 LEU CA C 26 53.480 53.215 0.265 1 1 294 . 20 1 1 A 28 28 LEU CB C 26 45.235 44.267 0.968 1 1 298 . 20 1 1 A 28 28 LEU N N 26 117.260 120.063 -2.803 1 1 299 . 20 1 1 A 29 29 LYS H H 27 9.572 9.617 -0.045 1 1 300 . 20 1 1 A 29 29 LYS HA H 27 5.372 5.069 0.303 1 1 309 . 20 1 1 A 29 29 LYS C C 27 174.801 174.845 -0.044 1 1 310 . 20 1 1 A 29 29 LYS CA C 27 55.165 54.769 0.396 1 1 311 . 20 1 1 A 29 29 LYS CB C 27 35.253 35.056 0.197 1 1 315 . 20 1 1 A 29 29 LYS N N 27 123.488 125.892 -2.404 1 1 316 . 20 1 1 A 30 30 ILE H H 28 9.136 9.059 0.077 1 1 317 . 20 1 1 A 30 30 ILE HA H 28 4.924 5.083 -0.159 1 1 327 . 20 1 1 A 30 30 ILE C C 28 176.949 175.131 1.818 1 1 328 . 20 1 1 A 30 30 ILE CA C 28 60.542 59.262 1.280 1 1 329 . 20 1 1 A 30 30 ILE CB C 28 39.600 39.136 0.464 1 1 333 . 20 1 1 A 30 30 ILE N N 28 123.846 128.154 -4.308 1 1 334 . 20 1 1 A 31 31 LEU H H 29 8.805 9.375 -0.570 1 1 335 . 20 1 1 A 31 31 LEU HA H 29 4.535 5.162 -0.627 1 1 344 . 20 1 1 A 31 31 LEU C C 29 176.012 175.344 0.668 1 1 345 . 20 1 1 A 31 31 LEU CA C 29 55.366 53.746 1.620 1 1 346 . 20 1 1 A 31 31 LEU CB C 29 43.180 45.929 -2.749 1 1 349 . 20 1 1 A 31 31 LEU N N 29 128.649 127.296 1.353 1 1 350 . 20 1 1 A 32 32 ASN H H 30 8.216 8.882 -0.666 1 1 351 . 20 1 1 A 32 32 ASN HA H 30 5.005 5.323 -0.318 1 1 356 . 20 1 1 A 32 32 ASN C C 30 174.664 174.487 0.177 1 1 357 . 20 1 1 A 32 32 ASN CA C 30 52.517 51.828 0.689 1 1 358 . 20 1 1 A 32 32 ASN CB C 30 38.776 40.966 -2.190 1 1 359 . 20 1 1 A 32 32 ASN N N 30 120.791 121.704 -0.913 1 1 361 . 20 1 1 A 33 33 THR H H 31 7.883 8.872 -0.989 1 1 362 . 20 1 1 A 33 33 THR HA H 31 4.842 4.937 -0.095 1 1 367 . 20 1 1 A 33 33 THR CA C 31 58.369 58.999 -0.630 1 1 368 . 20 1 1 A 33 33 THR CB C 31 70.018 69.263 0.755 1 1 370 . 20 1 1 A 33 33 THR N N 31 115.811 116.904 -1.093 1 1 371 . 20 1 1 A 34 34 PRO HA H 32 4.317 4.525 -0.208 1 1 378 . 20 1 1 A 34 34 PRO CA C 32 65.164 63.736 1.428 1 1 379 . 20 1 1 A 34 34 PRO CB C 32 32.484 31.427 1.057 1 1 382 . 20 1 1 A 35 35 ASN H H 33 8.259 8.603 -0.344 1 1 383 . 20 1 1 A 35 35 ASN HA H 33 4.651 5.029 -0.378 1 1 388 . 20 1 1 A 35 35 ASN C C 33 174.710 174.495 0.215 1 1 389 . 20 1 1 A 35 35 ASN CA C 33 54.532 52.490 2.042 1 1 390 . 20 1 1 A 35 35 ASN CB C 33 39.167 40.963 -1.796 1 1 391 . 20 1 1 A 35 35 ASN N N 33 120.081 117.064 3.017 1 1 393 . 20 1 1 A 36 36 CYS H H 34 7.569 7.701 -0.132 1 1 394 . 20 1 1 A 36 36 CYS HA H 34 4.675 4.950 -0.275 1 1 397 . 20 1 1 A 36 36 CYS C C 34 173.865 172.422 1.443 1 1 398 . 20 1 1 A 36 36 CYS CA C 34 55.447 55.016 0.431 1 1 399 . 20 1 1 A 36 36 CYS CB C 34 45.228 46.432 -1.204 1 1 400 . 20 1 1 A 36 36 CYS N N 34 117.076 116.143 0.933 1 1 401 . 20 1 1 A 37 37 ALA H H 35 8.472 8.424 0.048 1 1 402 . 20 1 1 A 37 37 ALA HA H 35 4.223 4.320 -0.097 1 1 406 . 20 1 1 A 37 37 ALA C C 35 176.423 177.256 -0.833 1 1 407 . 20 1 1 A 37 37 ALA CA C 35 53.537 51.716 1.821 1 1 408 . 20 1 1 A 37 37 ALA CB C 35 19.202 20.232 -1.030 1 1 409 . 20 1 1 A 37 37 ALA N N 35 125.153 125.790 -0.637 1 1 410 . 20 1 1 A 38 38 CYS H H 36 8.316 8.386 -0.070 1 1 411 . 20 1 1 A 38 38 CYS HA H 36 4.196 4.232 -0.036 1 1 414 . 20 1 1 A 38 38 CYS C C 36 173.705 173.763 -0.058 1 1 415 . 20 1 1 A 38 38 CYS CA C 36 58.616 59.870 -1.254 1 1 416 . 20 1 1 A 38 38 CYS CB C 36 45.705 28.061 17.644 1 1 417 . 20 1 1 A 38 38 CYS N N 36 118.837 118.244 0.593 1 1 418 . 20 1 1 A 39 39 GLN H H 37 8.928 8.759 0.169 1 1 419 . 20 1 1 A 39 39 GLN HA H 37 4.596 4.987 -0.391 1 1 426 . 20 1 1 A 39 39 GLN C C 37 173.636 174.248 -0.612 1 1 427 . 20 1 1 A 39 39 GLN CA C 37 54.603 54.246 0.357 1 1 428 . 20 1 1 A 39 39 GLN CB C 37 31.761 32.328 -0.567 1 1 430 . 20 1 1 A 39 39 GLN N N 37 128.567 126.452 2.115 1 1 432 . 20 1 1 A 40 40 ILE H H 38 8.851 8.486 0.365 1 1 433 . 20 1 1 A 40 40 ILE HA H 38 5.087 5.113 -0.026 1 1 443 . 20 1 1 A 40 40 ILE C C 38 174.390 174.743 -0.353 1 1 444 . 20 1 1 A 40 40 ILE CA C 38 60.582 59.940 0.642 1 1 445 . 20 1 1 A 40 40 ILE CB C 38 40.048 40.860 -0.812 1 1 449 . 20 1 1 A 40 40 ILE N N 38 123.962 125.690 -1.728 1 1 450 . 20 1 1 A 41 41 VAL H H 39 9.090 9.623 -0.533 1 1 451 . 20 1 1 A 41 41 VAL HA H 39 4.822 4.925 -0.103 1 1 459 . 20 1 1 A 41 41 VAL C C 39 175.487 174.697 0.790 1 1 460 . 20 1 1 A 41 41 VAL CA C 39 59.980 60.763 -0.783 1 1 461 . 20 1 1 A 41 41 VAL CB C 39 35.868 34.269 1.599 1 1 464 . 20 1 1 A 41 41 VAL N N 39 126.354 127.290 -0.936 1 1 465 . 20 1 1 A 42 42 ALA H H 40 9.513 9.601 -0.088 1 1 466 . 20 1 1 A 42 42 ALA HA H 40 5.137 5.250 -0.113 1 1 470 . 20 1 1 A 42 42 ALA C C 40 175.944 175.706 0.238 1 1 471 . 20 1 1 A 42 42 ALA CA C 40 50.591 50.255 0.336 1 1 472 . 20 1 1 A 42 42 ALA CB C 40 22.432 23.241 -0.809 1 1 473 . 20 1 1 A 42 42 ALA N N 40 128.406 129.090 -0.684 1 1 474 . 20 1 1 A 43 43 ARG H H 41 7.720 7.945 -0.225 1 1 475 . 20 1 1 A 43 43 ARG HA H 41 4.959 4.561 0.398 1 1 482 . 20 1 1 A 43 43 ARG C C 41 175.510 175.360 0.150 1 1 483 . 20 1 1 A 43 43 ARG CA C 41 54.162 55.372 -1.210 1 1 484 . 20 1 1 A 43 43 ARG CB C 41 31.200 30.542 0.658 1 1 487 . 20 1 1 A 43 43 ARG N N 41 121.795 121.407 0.388 1 1 488 . 20 1 1 A 44 44 LEU H H 42 9.164 8.243 0.921 1 1 489 . 20 1 1 A 44 44 LEU HA H 42 5.021 4.250 0.771 1 1 499 . 20 1 1 A 44 44 LEU C C 42 177.840 177.660 0.180 1 1 500 . 20 1 1 A 44 44 LEU CA C 42 54.724 54.899 -0.175 1 1 501 . 20 1 1 A 44 44 LEU CB C 42 41.712 42.270 -0.558 1 1 505 . 20 1 1 A 44 44 LEU N N 42 129.087 125.871 3.216 1 1 506 . 20 1 1 A 45 45 LYS H H 43 8.396 8.592 -0.196 1 1 507 . 20 1 1 A 45 45 LYS HA H 43 3.950 4.165 -0.215 1 1 516 . 20 1 1 A 45 45 LYS CA C 43 59.016 56.944 2.072 1 1 517 . 20 1 1 A 45 45 LYS CB C 43 34.102 33.336 0.766 1 1 520 . 20 1 1 A 45 45 LYS N N 43 119.674 121.196 -1.522 1 1 521 . 20 1 1 A 48 48 ASN HA H 46 4.709 5.082 -0.373 1 1 526 . 20 1 1 A 48 48 ASN C C 46 175.098 174.764 0.334 1 1 527 . 20 1 1 A 48 48 ASN CA C 46 54.764 52.160 2.604 1 1 528 . 20 1 1 A 48 48 ASN CB C 46 39.265 40.636 -1.371 1 1 530 . 20 1 1 A 49 49 ARG H H 47 7.923 8.336 -0.413 1 1 531 . 20 1 1 A 49 49 ARG HA H 47 4.368 4.639 -0.271 1 1 538 . 20 1 1 A 49 49 ARG C C 47 175.601 174.798 0.803 1 1 539 . 20 1 1 A 49 49 ARG CA C 47 57.051 54.258 2.793 1 1 540 . 20 1 1 A 49 49 ARG CB C 47 32.121 31.038 1.083 1 1 543 . 20 1 1 A 49 49 ARG N N 47 119.826 118.913 0.913 1 1 544 . 20 1 1 A 50 50 GLN H H 48 8.547 8.441 0.106 1 1 545 . 20 1 1 A 50 50 GLN HA H 48 5.441 4.881 0.560 1 1 552 . 20 1 1 A 50 50 GLN C C 48 175.578 175.522 0.056 1 1 553 . 20 1 1 A 50 50 GLN CA C 48 55.125 54.992 0.133 1 1 554 . 20 1 1 A 50 50 GLN CB C 48 32.121 30.435 1.686 1 1 556 . 20 1 1 A 50 50 GLN N N 48 120.767 119.874 0.893 1 1 558 . 20 1 1 A 51 51 VAL H H 49 8.630 9.192 -0.562 1 1 559 . 20 1 1 A 51 51 VAL HA H 49 4.826 4.881 -0.055 1 1 567 . 20 1 1 A 51 51 VAL C C 49 175.258 174.317 0.941 1 1 568 . 20 1 1 A 51 51 VAL CA C 49 59.338 59.493 -0.155 1 1 569 . 20 1 1 A 51 51 VAL CB C 49 36.155 35.144 1.011 1 1 572 . 20 1 1 A 51 51 VAL N N 49 116.678 119.792 -3.114 1 1 573 . 20 1 1 A 52 52 CYS H H 50 9.095 9.205 -0.110 1 1 574 . 20 1 1 A 52 52 CYS HA H 50 5.278 5.448 -0.170 1 1 577 . 20 1 1 A 52 52 CYS C C 50 174.527 173.244 1.283 1 1 578 . 20 1 1 A 52 52 CYS CA C 50 58.054 54.262 3.792 1 1 579 . 20 1 1 A 52 52 CYS CB C 50 43.162 44.639 -1.477 1 1 580 . 20 1 1 A 52 52 CYS N N 50 124.549 119.798 4.751 1 1 581 . 20 1 1 A 53 53 ILE H H 51 8.485 9.173 -0.688 1 1 582 . 20 1 1 A 53 53 ILE HA H 51 4.973 5.053 -0.080 1 1 592 . 20 1 1 A 53 53 ILE C C 51 173.019 174.097 -1.078 1 1 593 . 20 1 1 A 53 53 ILE CA C 51 58.897 58.719 0.178 1 1 594 . 20 1 1 A 53 53 ILE CB C 51 42.201 41.830 0.371 1 1 598 . 20 1 1 A 53 53 ILE N N 51 122.581 118.730 3.851 1 1 599 . 20 1 1 A 54 54 ASP H H 52 7.661 8.465 -0.804 1 1 600 . 20 1 1 A 54 54 ASP HA H 52 3.611 4.411 -0.800 1 1 603 . 20 1 1 A 54 54 ASP CA C 52 51.574 51.559 0.015 1 1 604 . 20 1 1 A 54 54 ASP CB C 52 42.515 41.498 1.017 1 1 605 . 20 1 1 A 54 54 ASP N N 52 125.772 124.351 1.421 1 1 606 . 20 1 1 A 55 55 PRO HA H 53 4.010 4.323 -0.313 1 1 613 . 20 1 1 A 55 55 PRO C C 53 176.126 176.318 -0.192 1 1 614 . 20 1 1 A 55 55 PRO CA C 53 63.993 64.018 -0.025 1 1 615 . 20 1 1 A 55 55 PRO CB C 53 33.002 31.650 1.352 1 1 618 . 20 1 1 A 56 56 LYS H H 54 7.930 8.009 -0.079 1 1 619 . 20 1 1 A 56 56 LYS HA H 54 3.988 4.376 -0.388 1 1 628 . 20 1 1 A 56 56 LYS C C 54 177.931 176.032 1.899 1 1 629 . 20 1 1 A 56 56 LYS CA C 54 56.770 55.624 1.146 1 1 630 . 20 1 1 A 56 56 LYS CB C 54 32.023 32.611 -0.588 1 1 634 . 20 1 1 A 56 56 LYS N N 54 112.924 116.130 -3.206 1 1 635 . 20 1 1 A 57 57 LEU H H 55 7.161 6.983 0.178 1 1 636 . 20 1 1 A 57 57 LEU HA H 55 4.059 4.161 -0.102 1 1 646 . 20 1 1 A 57 57 LEU C C 55 179.416 177.811 1.605 1 1 647 . 20 1 1 A 57 57 LEU CA C 55 56.088 55.135 0.953 1 1 648 . 20 1 1 A 57 57 LEU CB C 55 42.191 41.738 0.453 1 1 652 . 20 1 1 A 57 57 LEU N N 55 120.593 120.920 -0.327 1 1 653 . 20 1 1 A 58 58 LYS H H 56 8.720 9.006 -0.286 1 1 654 . 20 1 1 A 58 58 LYS HA H 56 3.911 3.843 0.068 1 1 663 . 20 1 1 A 58 58 LYS C C 56 178.937 178.064 0.873 1 1 664 . 20 1 1 A 58 58 LYS CA C 56 60.301 59.787 0.514 1 1 665 . 20 1 1 A 58 58 LYS CB C 56 32.121 32.318 -0.197 1 1 669 . 20 1 1 A 58 58 LYS N N 56 125.479 124.555 0.924 1 1 670 . 20 1 1 A 59 59 TRP H H 57 7.811 8.445 -0.634 1 1 671 . 20 1 1 A 59 59 TRP HA H 57 4.664 4.492 0.172 1 1 680 . 20 1 1 A 59 59 TRP C C 57 178.868 179.303 -0.435 1 1 681 . 20 1 1 A 59 59 TRP CA C 57 58.897 59.914 -1.017 1 1 682 . 20 1 1 A 59 59 TRP CB C 57 28.036 27.994 0.042 1 1 688 . 20 1 1 A 59 59 TRP N N 57 113.433 118.820 -5.387 1 1 690 . 20 1 1 A 60 60 ILE H H 58 6.461 7.191 -0.730 1 1 691 . 20 1 1 A 60 60 ILE HA H 58 3.304 3.363 -0.059 1 1 701 . 20 1 1 A 60 60 ILE C C 58 177.726 177.665 0.061 1 1 702 . 20 1 1 A 60 60 ILE CA C 58 64.314 64.453 -0.139 1 1 703 . 20 1 1 A 60 60 ILE CB C 58 35.897 36.498 -0.601 1 1 707 . 20 1 1 A 60 60 ILE N N 58 124.379 122.428 1.951 1 1 708 . 20 1 1 A 61 61 GLN H H 59 7.624 8.637 -1.013 1 1 709 . 20 1 1 A 61 61 GLN HA H 59 3.748 3.875 -0.127 1 1 716 . 20 1 1 A 61 61 GLN C C 59 178.434 178.866 -0.432 1 1 717 . 20 1 1 A 61 61 GLN CA C 59 59.379 59.409 -0.030 1 1 718 . 20 1 1 A 61 61 GLN CB C 59 28.272 28.276 -0.004 1 1 720 . 20 1 1 A 61 61 GLN N N 59 119.070 118.643 0.427 1 1 722 . 20 1 1 A 62 62 GLU H H 60 8.064 8.166 -0.102 1 1 723 . 20 1 1 A 62 62 GLU HA H 60 4.083 4.081 0.002 1 1 728 . 20 1 1 A 62 62 GLU C C 60 179.051 178.634 0.417 1 1 729 . 20 1 1 A 62 62 GLU CA C 60 59.659 59.388 0.271 1 1 730 . 20 1 1 A 62 62 GLU CB C 60 30.457 29.627 0.830 1 1 732 . 20 1 1 A 62 62 GLU N N 60 117.166 120.174 -3.008 1 1 733 . 20 1 1 A 63 63 TYR H H 61 7.924 8.333 -0.409 1 1 734 . 20 1 1 A 63 63 TYR HA H 61 4.254 4.198 0.056 1 1 741 . 20 1 1 A 63 63 TYR C C 61 178.617 177.261 1.356 1 1 742 . 20 1 1 A 63 63 TYR CA C 61 61.184 61.480 -0.296 1 1 743 . 20 1 1 A 63 63 TYR CB C 61 39.461 38.808 0.653 1 1 746 . 20 1 1 A 63 63 TYR N N 61 121.271 121.984 -0.713 1 1 747 . 20 1 1 A 64 64 LEU H H 62 8.260 8.830 -0.570 1 1 748 . 20 1 1 A 64 64 LEU HA H 62 3.954 3.941 0.013 1 1 758 . 20 1 1 A 64 64 LEU C C 62 179.553 179.045 0.508 1 1 759 . 20 1 1 A 64 64 LEU CA C 62 58.014 58.206 -0.192 1 1 760 . 20 1 1 A 64 64 LEU CB C 62 42.191 41.464 0.727 1 1 764 . 20 1 1 A 64 64 LEU N N 62 116.299 120.162 -3.863 1 1 765 . 20 1 1 A 65 65 GLU H H 63 8.454 8.220 0.234 1 1 766 . 20 1 1 A 65 65 GLU HA H 63 3.840 3.908 -0.068 1 1 771 . 20 1 1 A 65 65 GLU C C 63 179.279 179.086 0.193 1 1 772 . 20 1 1 A 65 65 GLU CA C 63 60.301 59.800 0.501 1 1 773 . 20 1 1 A 65 65 GLU CB C 63 29.870 29.068 0.802 1 1 775 . 20 1 1 A 65 65 GLU N N 63 118.616 119.034 -0.418 1 1 776 . 20 1 1 A 66 66 LYS H H 64 7.575 8.307 -0.732 1 1 777 . 20 1 1 A 66 66 LYS HA H 64 4.212 3.974 0.238 1 1 786 . 20 1 1 A 66 66 LYS C C 64 178.457 179.227 -0.770 1 1 787 . 20 1 1 A 66 66 LYS CA C 64 58.496 59.455 -0.959 1 1 788 . 20 1 1 A 66 66 LYS CB C 64 32.400 32.482 -0.082 1 1 792 . 20 1 1 A 66 66 LYS N N 64 117.166 119.485 -2.319 1 1 793 . 20 1 1 A 67 67 CYS H H 65 7.918 7.974 -0.056 1 1 794 . 20 1 1 A 67 67 CYS HA H 65 4.526 4.061 0.465 1 1 797 . 20 1 1 A 67 67 CYS C C 65 174.893 177.314 -2.421 1 1 798 . 20 1 1 A 67 67 CYS CA C 65 56.329 62.067 -5.738 1 1 799 . 20 1 1 A 67 67 CYS CB C 65 45.235 27.312 17.923 1 1 800 . 20 1 1 A 67 67 CYS N N 65 115.330 118.906 -3.576 1 1 801 . 20 1 1 A 68 68 LEU H H 66 7.559 7.722 -0.163 1 1 802 . 20 1 1 A 68 68 LEU HA H 66 4.490 4.041 0.449 1 1 812 . 20 1 1 A 68 68 LEU C C 66 176.812 177.995 -1.183 1 1 813 . 20 1 1 A 68 68 LEU CA C 66 55.366 57.736 -2.370 1 1 814 . 20 1 1 A 68 68 LEU CB C 66 43.278 41.743 1.535 1 1 818 . 20 1 1 A 68 68 LEU N N 66 120.930 122.483 -1.553 1 1 819 . 20 1 1 A 69 69 ASN H H 67 8.265 8.018 0.247 1 1 820 . 20 1 1 A 69 69 ASN HA H 67 4.669 5.008 -0.339 1 1 825 . 20 1 1 A 69 69 ASN CA C 67 53.761 54.734 -0.973 1 1 826 . 20 1 1 A 69 69 ASN CB C 67 39.069 40.617 -1.548 1 1 827 . 20 1 1 A 69 69 ASN N N 67 120.279 115.320 4.959 1 1 852 . 20 2 2 B 4 4 GLU H H 102 8.329 7.787 0.542 1 1 853 . 20 2 2 B 4 4 GLU HA H 102 4.282 4.834 -0.552 1 1 858 . 20 2 2 B 4 4 GLU C C 102 177.132 176.074 1.058 1 1 859 . 20 2 2 B 4 4 GLU CA C 102 57.410 54.963 2.447 1 1 861 . 20 2 2 B 4 4 GLU N N 102 121.884 117.993 3.891 1 1 862 . 20 2 2 B 5 5 GLY H H 103 8.335 8.457 -0.122 1 1 863 . 20 2 2 B 5 5 GLY HA2 H 103 3.941 4.279 -0.338 1 1 864 . 20 2 2 B 5 5 GLY HA3 H 103 3.941 4.279 -0.338 1 1 865 . 20 2 2 B 5 5 GLY C C 103 174.207 174.007 0.200 1 1 866 . 20 2 2 B 5 5 GLY CA C 103 45.731 45.450 0.281 1 1 867 . 20 2 2 B 5 5 GLY N N 103 110.055 109.212 0.843 1 1 868 . 20 2 2 B 6 6 ILE H H 104 7.831 8.475 -0.644 1 1 869 . 20 2 2 B 6 6 ILE HA H 104 4.269 4.092 0.177 1 1 879 . 20 2 2 B 6 6 ILE C C 104 176.401 176.112 0.289 1 1 880 . 20 2 2 B 6 6 ILE CA C 104 61.558 62.955 -1.397 1 1 881 . 20 2 2 B 6 6 ILE CB C 104 39.436 38.506 0.930 1 1 885 . 20 2 2 B 6 6 ILE N N 104 119.606 120.152 -0.546 1 1 886 . 20 2 2 B 7 7 SER H H 105 8.324 7.930 0.394 1 1 887 . 20 2 2 B 7 7 SER HA H 105 4.535 4.620 -0.085 1 1 890 . 20 2 2 B 7 7 SER C C 105 174.550 174.478 0.072 1 1 891 . 20 2 2 B 7 7 SER CA C 105 58.667 56.733 1.934 1 1 892 . 20 2 2 B 7 7 SER CB C 105 64.072 64.845 -0.773 1 1 893 . 20 2 2 B 7 7 SER N N 105 119.717 114.790 4.927 1 1 937 . 20 2 2 B 11 11 SER H H 109 8.211 8.507 -0.296 1 1 938 . 20 2 2 B 11 11 SER HA H 109 4.507 4.623 -0.116 1 1 941 . 20 2 2 B 11 11 SER C C 109 174.504 174.801 -0.297 1 1 942 . 20 2 2 B 11 11 SER CA C 109 58.919 57.702 1.217 1 1 943 . 20 2 2 B 11 11 SER CB C 109 64.198 62.319 1.879 1 1 944 . 20 2 2 B 11 11 SER N N 109 117.260 118.465 -1.205 1 1 945 . 20 2 2 B 12 12 ASP H H 110 8.323 8.195 0.128 1 1 946 . 20 2 2 B 12 12 ASP HA H 110 4.620 4.667 -0.047 1 1 949 . 20 2 2 B 12 12 ASP C C 110 176.058 176.605 -0.547 1 1 950 . 20 2 2 B 12 12 ASP CA C 110 55.022 54.438 0.584 1 1 951 . 20 2 2 B 12 12 ASP CB C 110 41.825 41.816 0.009 1 1 952 . 20 2 2 B 12 12 ASP N N 110 122.020 121.188 0.832 1 1 986 . 20 2 2 B 16 16 GLU H H 114 8.378 8.105 0.273 1 1 987 . 20 2 2 B 16 16 GLU HA H 114 4.268 4.474 -0.206 1 1 992 . 20 2 2 B 16 16 GLU C C 114 176.766 176.147 0.619 1 1 993 . 20 2 2 B 16 16 GLU CA C 114 57.410 55.753 1.657 1 1 994 . 20 2 2 B 16 16 GLU CB C 114 30.620 31.403 -0.783 1 1 996 . 20 2 2 B 16 16 GLU N N 114 123.052 121.287 1.765 1 1 997 . 20 2 2 B 17 17 GLU H H 115 8.326 8.604 -0.278 1 1 998 . 20 2 2 B 17 17 GLU HA H 115 4.274 4.706 -0.432 1 1 1003 . 20 2 2 B 17 17 GLU C C 115 176.880 176.257 0.623 1 1 1004 . 20 2 2 B 17 17 GLU CA C 115 57.410 54.805 2.605 1 1 1005 . 20 2 2 B 17 17 GLU CB C 115 30.525 32.103 -1.578 1 1 1007 . 20 2 2 B 17 17 GLU N N 115 121.688 119.839 1.849 1 1 1008 . 20 2 2 B 18 18 MET H H 116 8.309 8.727 -0.418 1 1 1009 . 20 2 2 B 18 18 MET HA H 116 4.473 4.805 -0.332 1 1 1014 . 20 2 2 B 18 18 MET C C 116 177.086 176.777 0.309 1 1 1015 . 20 2 2 B 18 18 MET CA C 116 56.279 55.101 1.178 1 1 1016 . 20 2 2 B 18 18 MET CB C 116 33.026 33.190 -0.164 1 1 1017 . 20 2 2 B 18 18 MET N N 116 121.270 119.908 1.362 1 1 1018 . 20 2 2 B 19 19 GLY H H 117 8.335 8.530 -0.195 1 1 1019 . 20 2 2 B 19 19 GLY HA2 H 117 4.054 4.078 -0.024 1 1 1020 . 20 2 2 B 19 19 GLY HA3 H 117 4.054 4.078 -0.024 1 1 1021 . 20 2 2 B 19 19 GLY C C 117 174.481 175.829 -1.348 1 1 1022 . 20 2 2 B 19 19 GLY CA C 117 45.847 45.596 0.251 1 1 1023 . 20 2 2 B 19 19 GLY N N 117 110.055 110.419 -0.364 1 1 1024 . 20 2 2 B 20 20 SER H H 118 8.230 8.925 -0.695 1 1 1025 . 20 2 2 B 20 20 SER HA H 118 4.476 4.249 0.227 1 1 1028 . 20 2 2 B 20 20 SER C C 118 175.327 174.726 0.601 1 1 1029 . 20 2 2 B 20 20 SER CA C 118 58.919 58.527 0.392 1 1 1030 . 20 2 2 B 20 20 SER CB C 118 64.575 64.149 0.426 1 1 1031 . 20 2 2 B 20 20 SER N N 118 115.664 117.651 -1.987 1 1 1032 . 20 2 2 B 21 21 GLY H H 119 8.354 7.850 0.504 1 1 1033 . 20 2 2 B 21 21 GLY HA2 H 119 3.941 4.066 -0.125 1 1 1034 . 20 2 2 B 21 21 GLY HA3 H 119 3.941 4.066 -0.125 1 1 1035 . 20 2 2 B 21 21 GLY C C 119 174.002 172.599 1.403 1 1 1036 . 20 2 2 B 21 21 GLY CA C 119 45.721 44.852 0.869 1 1 1037 . 20 2 2 B 21 21 GLY N N 119 110.872 108.690 2.182 1 1 1068 . 20 2 2 B 25 25 SER H H 123 8.155 8.148 0.007 1 1 1069 . 20 2 2 B 25 25 SER HA H 123 4.391 4.041 0.350 1 1 1072 . 20 2 2 B 25 25 SER C C 123 175.075 173.388 1.687 1 1 1073 . 20 2 2 B 25 25 SER CA C 123 59.347 59.385 -0.038 1 1 1074 . 20 2 2 B 25 25 SER CB C 123 63.879 62.379 1.500 1 1 1075 . 20 2 2 B 25 25 SER N N 123 116.126 114.216 1.910 1 1 1076 . 20 2 2 B 26 26 MET H H 124 8.221 7.803 0.418 1 1 1077 . 20 2 2 B 26 26 MET HA H 124 4.476 4.909 -0.433 1 1 1082 . 20 2 2 B 26 26 MET C C 124 176.355 174.217 2.138 1 1 1083 . 20 2 2 B 26 26 MET CA C 124 56.279 55.034 1.245 1 1 1084 . 20 2 2 B 26 26 MET CB C 124 32.900 34.388 -1.488 1 1 1086 . 20 2 2 B 26 26 MET N N 124 121.210 118.889 2.321 1 1 1087 . 20 2 2 B 27 27 LYS H H 125 8.025 8.728 -0.703 1 1 1088 . 20 2 2 B 27 27 LYS HA H 125 4.312 5.015 -0.703 1 1 1097 . 20 2 2 B 27 27 LYS C C 125 176.355 174.859 1.496 1 1 1098 . 20 2 2 B 27 27 LYS CA C 125 56.656 54.923 1.733 1 1 1099 . 20 2 2 B 27 27 LYS CB C 125 33.529 37.175 -3.646 1 1 1103 . 20 2 2 B 27 27 LYS N N 125 121.457 125.521 -4.064 1 1 1104 . 20 2 2 B 28 28 GLU H H 126 8.222 8.977 -0.755 1 1 1105 . 20 2 2 B 28 28 GLU N N 126 122.740 118.738 4.002 1 1 1106 . 20 2 2 B 29 29 PRO HA H 127 4.355 4.881 -0.526 1 1 1113 . 20 2 2 B 29 29 PRO C C 127 176.812 176.308 0.504 1 1 1114 . 20 2 2 B 29 29 PRO CA C 127 63.821 62.150 1.671 1 1 1115 . 20 2 2 B 29 29 PRO CB C 127 32.272 32.926 -0.654 1 1 1118 . 20 2 2 B 30 30 ALA H H 128 8.267 8.522 -0.255 1 1 1119 . 20 2 2 B 30 30 ALA HA H 128 4.269 4.543 -0.274 1 1 1123 . 20 2 2 B 30 30 ALA C C 128 177.589 178.435 -0.846 1 1 1124 . 20 2 2 B 30 30 ALA CA C 128 52.873 52.345 0.528 1 1 1125 . 20 2 2 B 30 30 ALA CB C 128 19.703 20.005 -0.302 1 1 1126 . 20 2 2 B 30 30 ALA N N 128 123.577 124.819 -1.242 1 1 1127 . 20 2 2 B 31 31 PHE H H 129 8.019 8.168 -0.149 1 1 1128 . 20 2 2 B 31 31 PHE HA H 129 4.621 4.405 0.216 1 1 1136 . 20 2 2 B 31 31 PHE C C 129 175.624 174.805 0.819 1 1 1137 . 20 2 2 B 31 31 PHE CA C 129 58.039 59.316 -1.277 1 1 1138 . 20 2 2 B 31 31 PHE CB C 129 40.055 38.459 1.596 1 1 1142 . 20 2 2 B 31 31 PHE N N 129 118.994 116.726 2.268 1 1 1143 . 20 2 2 B 32 32 ARG H H 130 8.029 7.686 0.343 1 1 1144 . 20 2 2 B 32 32 ARG HA H 130 4.309 4.224 0.085 1 1 1151 . 20 2 2 B 32 32 ARG C C 130 175.875 175.549 0.326 1 1 1152 . 20 2 2 B 32 32 ARG CA C 130 56.154 56.052 0.102 1 1 1153 . 20 2 2 B 32 32 ARG CB C 130 31.643 31.688 -0.045 1 1 1156 . 20 2 2 B 32 32 ARG N N 130 122.929 120.654 2.275 1 1 1157 . 20 2 2 B 33 33 GLU H H 131 8.374 8.541 -0.167 1 1 1158 . 20 2 2 B 33 33 GLU HA H 131 4.276 4.547 -0.271 1 1 1163 . 20 2 2 B 33 33 GLU C C 131 176.766 175.303 1.463 1 1 1164 . 20 2 2 B 33 33 GLU CA C 131 57.285 56.716 0.569 1 1 1165 . 20 2 2 B 33 33 GLU CB C 131 30.512 30.560 -0.048 1 1 1167 . 20 2 2 B 33 33 GLU N N 131 122.719 122.013 0.706 1 1 1168 . 20 2 2 B 34 34 GLU H H 132 8.509 8.822 -0.313 1 1 1169 . 20 2 2 B 34 34 GLU HA H 132 4.271 4.922 -0.651 1 1 1174 . 20 2 2 B 34 34 GLU C C 132 176.560 175.824 0.736 1 1 1175 . 20 2 2 B 34 34 GLU CA C 132 57.400 54.985 2.415 1 1 1176 . 20 2 2 B 34 34 GLU CB C 132 30.530 31.318 -0.788 1 1 1178 . 20 2 2 B 34 34 GLU N N 132 122.122 126.337 -4.215 1 1 1179 . 20 2 2 B 35 35 ASN H H 133 8.362 8.796 -0.434 1 1 1180 . 20 2 2 B 35 35 ASN HA H 133 4.693 4.912 -0.219 1 1 1183 . 20 2 2 B 35 35 ASN C C 133 175.258 174.675 0.583 1 1 1184 . 20 2 2 B 35 35 ASN CA C 133 53.765 52.308 1.457 1 1 1185 . 20 2 2 B 35 35 ASN CB C 133 39.562 38.703 0.859 1 1 1186 . 20 2 2 B 35 35 ASN N N 133 119.552 119.659 -0.107 1 1 1187 . 20 2 2 B 36 36 ALA H H 134 8.155 7.414 0.741 1 1 1188 . 20 2 2 B 36 36 ALA HA H 134 4.265 4.573 -0.308 1 1 1192 . 20 2 2 B 36 36 ALA C C 134 177.520 175.229 2.291 1 1 1193 . 20 2 2 B 36 36 ALA CA C 134 52.873 50.013 2.860 1 1 1194 . 20 2 2 B 36 36 ALA CB C 134 19.703 21.462 -1.759 1 1 1195 . 20 2 2 B 36 36 ALA N N 134 124.376 121.899 2.477 1 1 1196 . 20 2 2 B 37 37 ASN H H 135 8.210 8.636 -0.426 1 1 1197 . 20 2 2 B 37 37 ASN HA H 135 4.688 5.182 -0.494 1 1 1200 . 20 2 2 B 37 37 ASN C C 135 175.144 173.922 1.222 1 1 1201 . 20 2 2 B 37 37 ASN CA C 135 53.640 51.492 2.148 1 1 1202 . 20 2 2 B 37 37 ASN CB C 135 39.311 41.747 -2.436 1 1 1203 . 20 2 2 B 37 37 ASN N N 135 117.103 120.911 -3.808 1 1 1204 . 20 2 2 B 38 38 PHE H H 136 7.997 9.058 -1.061 1 1 1205 . 20 2 2 B 38 38 PHE HA H 136 4.623 4.931 -0.308 1 1 1212 . 20 2 2 B 38 38 PHE C C 136 175.601 175.781 -0.180 1 1 1213 . 20 2 2 B 38 38 PHE CA C 136 58.165 56.339 1.826 1 1 1214 . 20 2 2 B 38 38 PHE CB C 136 39.939 38.278 1.661 1 1 1217 . 20 2 2 B 38 38 PHE N N 136 120.229 124.810 -4.581 1 1 1218 . 20 2 2 B 39 39 ASN H H 137 8.272 8.983 -0.711 1 1 1219 . 20 2 2 B 39 39 ASN HA H 137 4.702 4.867 -0.165 1 1 1222 . 20 2 2 B 39 39 ASN C C 137 174.047 174.933 -0.886 1 1 1223 . 20 2 2 B 39 39 ASN CA C 137 53.891 54.101 -0.210 1 1 1224 . 20 2 2 B 39 39 ASN CB C 137 39.688 39.725 -0.037 1 1 1225 . 20 2 2 B 39 39 ASN N N 137 120.594 122.975 -2.381 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 1.494 1 2 1 1 1 "RMS(OBS, PRED)" CA 63 1.341 1 3 1 1 1 "RMS(OBS, PRED)" CB 63 3.154 1 4 1 1 1 "RMS(OBS, PRED)" H 59 0.554 1 5 1 1 1 "RMS(OBS, PRED)" HA 63 0.358 1 6 1 1 1 "RMS(OBS, PRED)" N 59 2.903 1 7 1 1 2 "RMS(OBS, PRED)" C 26 1.191 1 8 1 1 2 "RMS(OBS, PRED)" CA 26 1.597 1 9 1 1 2 "RMS(OBS, PRED)" CB 22 1.566 1 10 1 1 2 "RMS(OBS, PRED)" H 26 0.404 1 11 1 1 2 "RMS(OBS, PRED)" HA 29 0.298 1 12 1 1 2 "RMS(OBS, PRED)" N 26 3.298 1 13 1 2 1 "RMS(OBS, PRED)" C 58 1.439 1 14 1 2 1 "RMS(OBS, PRED)" CA 63 1.391 1 15 1 2 1 "RMS(OBS, PRED)" CB 63 3.281 1 16 1 2 1 "RMS(OBS, PRED)" H 59 0.544 1 17 1 2 1 "RMS(OBS, PRED)" HA 63 0.323 1 18 1 2 1 "RMS(OBS, PRED)" N 59 2.811 1 19 1 2 2 "RMS(OBS, PRED)" C 26 1.266 1 20 1 2 2 "RMS(OBS, PRED)" CA 26 1.650 1 21 1 2 2 "RMS(OBS, PRED)" CB 22 2.011 1 22 1 2 2 "RMS(OBS, PRED)" H 26 0.448 1 23 1 2 2 "RMS(OBS, PRED)" HA 29 0.402 1 24 1 2 2 "RMS(OBS, PRED)" N 26 3.482 1 25 1 3 1 "RMS(OBS, PRED)" C 58 1.468 1 26 1 3 1 "RMS(OBS, PRED)" CA 63 1.456 1 27 1 3 1 "RMS(OBS, PRED)" CB 63 3.512 1 28 1 3 1 "RMS(OBS, PRED)" H 59 0.603 1 29 1 3 1 "RMS(OBS, PRED)" HA 63 0.317 1 30 1 3 1 "RMS(OBS, PRED)" N 59 3.072 1 31 1 3 2 "RMS(OBS, PRED)" C 26 0.990 1 32 1 3 2 "RMS(OBS, PRED)" CA 26 1.531 1 33 1 3 2 "RMS(OBS, PRED)" CB 22 1.656 1 34 1 3 2 "RMS(OBS, PRED)" H 26 0.472 1 35 1 3 2 "RMS(OBS, PRED)" HA 29 0.327 1 36 1 3 2 "RMS(OBS, PRED)" N 26 3.743 1 37 1 4 1 "RMS(OBS, PRED)" C 58 1.427 1 38 1 4 1 "RMS(OBS, PRED)" CA 63 1.422 1 39 1 4 1 "RMS(OBS, PRED)" CB 63 3.188 1 40 1 4 1 "RMS(OBS, PRED)" H 59 0.553 1 41 1 4 1 "RMS(OBS, PRED)" HA 63 0.365 1 42 1 4 1 "RMS(OBS, PRED)" N 59 2.784 1 43 1 4 2 "RMS(OBS, PRED)" C 26 1.136 1 44 1 4 2 "RMS(OBS, PRED)" CA 26 1.408 1 45 1 4 2 "RMS(OBS, PRED)" CB 22 1.855 1 46 1 4 2 "RMS(OBS, PRED)" H 26 0.489 1 47 1 4 2 "RMS(OBS, PRED)" HA 29 0.307 1 48 1 4 2 "RMS(OBS, PRED)" N 26 3.491 1 49 1 5 1 "RMS(OBS, PRED)" C 58 1.270 1 50 1 5 1 "RMS(OBS, PRED)" CA 63 1.410 1 51 1 5 1 "RMS(OBS, PRED)" CB 63 3.686 1 52 1 5 1 "RMS(OBS, PRED)" H 59 0.544 1 53 1 5 1 "RMS(OBS, PRED)" HA 63 0.313 1 54 1 5 1 "RMS(OBS, PRED)" N 59 2.756 1 55 1 5 2 "RMS(OBS, PRED)" C 26 0.960 1 56 1 5 2 "RMS(OBS, PRED)" CA 26 1.496 1 57 1 5 2 "RMS(OBS, PRED)" CB 22 1.879 1 58 1 5 2 "RMS(OBS, PRED)" H 26 0.488 1 59 1 5 2 "RMS(OBS, PRED)" HA 29 0.286 1 60 1 5 2 "RMS(OBS, PRED)" N 26 3.426 1 61 1 6 1 "RMS(OBS, PRED)" C 58 1.415 1 62 1 6 1 "RMS(OBS, PRED)" CA 63 1.501 1 63 1 6 1 "RMS(OBS, PRED)" CB 63 3.435 1 64 1 6 1 "RMS(OBS, PRED)" H 59 0.570 1 65 1 6 1 "RMS(OBS, PRED)" HA 63 0.368 1 66 1 6 1 "RMS(OBS, PRED)" N 59 2.764 1 67 1 6 2 "RMS(OBS, PRED)" C 26 1.453 1 68 1 6 2 "RMS(OBS, PRED)" CA 26 1.588 1 69 1 6 2 "RMS(OBS, PRED)" CB 22 1.518 1 70 1 6 2 "RMS(OBS, PRED)" H 26 0.509 1 71 1 6 2 "RMS(OBS, PRED)" HA 29 0.376 1 72 1 6 2 "RMS(OBS, PRED)" N 26 3.653 1 73 1 7 1 "RMS(OBS, PRED)" C 58 1.397 1 74 1 7 1 "RMS(OBS, PRED)" CA 63 1.348 1 75 1 7 1 "RMS(OBS, PRED)" CB 63 3.230 1 76 1 7 1 "RMS(OBS, PRED)" H 59 0.532 1 77 1 7 1 "RMS(OBS, PRED)" HA 63 0.317 1 78 1 7 1 "RMS(OBS, PRED)" N 59 2.676 1 79 1 7 2 "RMS(OBS, PRED)" C 26 1.132 1 80 1 7 2 "RMS(OBS, PRED)" CA 26 1.560 1 81 1 7 2 "RMS(OBS, PRED)" CB 22 1.842 1 82 1 7 2 "RMS(OBS, PRED)" H 26 0.487 1 83 1 7 2 "RMS(OBS, PRED)" HA 29 0.365 1 84 1 7 2 "RMS(OBS, PRED)" N 26 3.201 1 85 1 8 1 "RMS(OBS, PRED)" C 58 1.523 1 86 1 8 1 "RMS(OBS, PRED)" CA 63 1.525 1 87 1 8 1 "RMS(OBS, PRED)" CB 63 3.156 1 88 1 8 1 "RMS(OBS, PRED)" H 59 0.619 1 89 1 8 1 "RMS(OBS, PRED)" HA 63 0.348 1 90 1 8 1 "RMS(OBS, PRED)" N 59 2.952 1 91 1 8 2 "RMS(OBS, PRED)" C 26 1.292 1 92 1 8 2 "RMS(OBS, PRED)" CA 26 1.871 1 93 1 8 2 "RMS(OBS, PRED)" CB 22 1.333 1 94 1 8 2 "RMS(OBS, PRED)" H 26 0.490 1 95 1 8 2 "RMS(OBS, PRED)" HA 29 0.418 1 96 1 8 2 "RMS(OBS, PRED)" N 26 3.224 1 97 1 9 1 "RMS(OBS, PRED)" C 58 1.402 1 98 1 9 1 "RMS(OBS, PRED)" CA 63 1.432 1 99 1 9 1 "RMS(OBS, PRED)" CB 63 3.612 1 100 1 9 1 "RMS(OBS, PRED)" H 59 0.565 1 101 1 9 1 "RMS(OBS, PRED)" HA 63 0.328 1 102 1 9 1 "RMS(OBS, PRED)" N 59 2.986 1 103 1 9 2 "RMS(OBS, PRED)" C 26 1.264 1 104 1 9 2 "RMS(OBS, PRED)" CA 26 1.786 1 105 1 9 2 "RMS(OBS, PRED)" CB 22 1.942 1 106 1 9 2 "RMS(OBS, PRED)" H 26 0.407 1 107 1 9 2 "RMS(OBS, PRED)" HA 29 0.383 1 108 1 9 2 "RMS(OBS, PRED)" N 26 2.408 1 109 1 10 1 "RMS(OBS, PRED)" C 58 1.400 1 110 1 10 1 "RMS(OBS, PRED)" CA 63 1.458 1 111 1 10 1 "RMS(OBS, PRED)" CB 63 3.480 1 112 1 10 1 "RMS(OBS, PRED)" H 59 0.558 1 113 1 10 1 "RMS(OBS, PRED)" HA 63 0.348 1 114 1 10 1 "RMS(OBS, PRED)" N 59 2.830 1 115 1 10 2 "RMS(OBS, PRED)" C 26 1.179 1 116 1 10 2 "RMS(OBS, PRED)" CA 26 1.392 1 117 1 10 2 "RMS(OBS, PRED)" CB 22 1.730 1 118 1 10 2 "RMS(OBS, PRED)" H 26 0.492 1 119 1 10 2 "RMS(OBS, PRED)" HA 29 0.333 1 120 1 10 2 "RMS(OBS, PRED)" N 26 3.151 1 121 1 11 1 "RMS(OBS, PRED)" C 58 1.488 1 122 1 11 1 "RMS(OBS, PRED)" CA 63 1.397 1 123 1 11 1 "RMS(OBS, PRED)" CB 63 3.326 1 124 1 11 1 "RMS(OBS, PRED)" H 59 0.578 1 125 1 11 1 "RMS(OBS, PRED)" HA 63 0.377 1 126 1 11 1 "RMS(OBS, PRED)" N 59 3.029 1 127 1 11 2 "RMS(OBS, PRED)" C 26 1.095 1 128 1 11 2 "RMS(OBS, PRED)" CA 26 1.475 1 129 1 11 2 "RMS(OBS, PRED)" CB 22 1.720 1 130 1 11 2 "RMS(OBS, PRED)" H 26 0.475 1 131 1 11 2 "RMS(OBS, PRED)" HA 29 0.335 1 132 1 11 2 "RMS(OBS, PRED)" N 26 3.098 1 133 1 12 1 "RMS(OBS, PRED)" C 58 1.496 1 134 1 12 1 "RMS(OBS, PRED)" CA 63 1.527 1 135 1 12 1 "RMS(OBS, PRED)" CB 63 3.528 1 136 1 12 1 "RMS(OBS, PRED)" H 59 0.537 1 137 1 12 1 "RMS(OBS, PRED)" HA 63 0.360 1 138 1 12 1 "RMS(OBS, PRED)" N 59 2.654 1 139 1 12 2 "RMS(OBS, PRED)" C 26 1.519 1 140 1 12 2 "RMS(OBS, PRED)" CA 26 1.663 1 141 1 12 2 "RMS(OBS, PRED)" CB 22 1.608 1 142 1 12 2 "RMS(OBS, PRED)" H 26 0.458 1 143 1 12 2 "RMS(OBS, PRED)" HA 29 0.371 1 144 1 12 2 "RMS(OBS, PRED)" N 26 3.696 1 145 1 13 1 "RMS(OBS, PRED)" C 58 1.453 1 146 1 13 1 "RMS(OBS, PRED)" CA 63 1.410 1 147 1 13 1 "RMS(OBS, PRED)" CB 63 3.623 1 148 1 13 1 "RMS(OBS, PRED)" H 59 0.561 1 149 1 13 1 "RMS(OBS, PRED)" HA 63 0.317 1 150 1 13 1 "RMS(OBS, PRED)" N 59 2.741 1 151 1 13 2 "RMS(OBS, PRED)" C 26 0.954 1 152 1 13 2 "RMS(OBS, PRED)" CA 26 1.447 1 153 1 13 2 "RMS(OBS, PRED)" CB 22 1.477 1 154 1 13 2 "RMS(OBS, PRED)" H 26 0.468 1 155 1 13 2 "RMS(OBS, PRED)" HA 29 0.315 1 156 1 13 2 "RMS(OBS, PRED)" N 26 3.353 1 157 1 14 1 "RMS(OBS, PRED)" C 58 1.415 1 158 1 14 1 "RMS(OBS, PRED)" CA 63 1.419 1 159 1 14 1 "RMS(OBS, PRED)" CB 63 3.181 1 160 1 14 1 "RMS(OBS, PRED)" H 59 0.507 1 161 1 14 1 "RMS(OBS, PRED)" HA 63 0.321 1 162 1 14 1 "RMS(OBS, PRED)" N 59 2.945 1 163 1 14 2 "RMS(OBS, PRED)" C 26 1.431 1 164 1 14 2 "RMS(OBS, PRED)" CA 26 1.673 1 165 1 14 2 "RMS(OBS, PRED)" CB 22 1.823 1 166 1 14 2 "RMS(OBS, PRED)" H 26 0.554 1 167 1 14 2 "RMS(OBS, PRED)" HA 29 0.414 1 168 1 14 2 "RMS(OBS, PRED)" N 26 3.444 1 169 1 15 1 "RMS(OBS, PRED)" C 58 1.510 1 170 1 15 1 "RMS(OBS, PRED)" CA 63 1.336 1 171 1 15 1 "RMS(OBS, PRED)" CB 63 3.183 1 172 1 15 1 "RMS(OBS, PRED)" H 59 0.559 1 173 1 15 1 "RMS(OBS, PRED)" HA 63 0.347 1 174 1 15 1 "RMS(OBS, PRED)" N 59 3.220 1 175 1 15 2 "RMS(OBS, PRED)" C 26 1.146 1 176 1 15 2 "RMS(OBS, PRED)" CA 26 1.660 1 177 1 15 2 "RMS(OBS, PRED)" CB 22 1.785 1 178 1 15 2 "RMS(OBS, PRED)" H 26 0.432 1 179 1 15 2 "RMS(OBS, PRED)" HA 29 0.359 1 180 1 15 2 "RMS(OBS, PRED)" N 26 2.696 1 181 1 16 1 "RMS(OBS, PRED)" C 58 1.503 1 182 1 16 1 "RMS(OBS, PRED)" CA 63 1.323 1 183 1 16 1 "RMS(OBS, PRED)" CB 63 3.249 1 184 1 16 1 "RMS(OBS, PRED)" H 59 0.542 1 185 1 16 1 "RMS(OBS, PRED)" HA 63 0.332 1 186 1 16 1 "RMS(OBS, PRED)" N 59 3.026 1 187 1 16 2 "RMS(OBS, PRED)" C 26 1.156 1 188 1 16 2 "RMS(OBS, PRED)" CA 26 1.540 1 189 1 16 2 "RMS(OBS, PRED)" CB 22 1.471 1 190 1 16 2 "RMS(OBS, PRED)" H 26 0.410 1 191 1 16 2 "RMS(OBS, PRED)" HA 29 0.348 1 192 1 16 2 "RMS(OBS, PRED)" N 26 3.211 1 193 1 17 1 "RMS(OBS, PRED)" C 58 1.485 1 194 1 17 1 "RMS(OBS, PRED)" CA 63 1.365 1 195 1 17 1 "RMS(OBS, PRED)" CB 63 3.325 1 196 1 17 1 "RMS(OBS, PRED)" H 59 0.563 1 197 1 17 1 "RMS(OBS, PRED)" HA 63 0.378 1 198 1 17 1 "RMS(OBS, PRED)" N 59 3.038 1 199 1 17 2 "RMS(OBS, PRED)" C 26 1.108 1 200 1 17 2 "RMS(OBS, PRED)" CA 26 1.581 1 201 1 17 2 "RMS(OBS, PRED)" CB 22 1.707 1 202 1 17 2 "RMS(OBS, PRED)" H 26 0.446 1 203 1 17 2 "RMS(OBS, PRED)" HA 29 0.406 1 204 1 17 2 "RMS(OBS, PRED)" N 26 3.619 1 205 1 18 1 "RMS(OBS, PRED)" C 58 1.397 1 206 1 18 1 "RMS(OBS, PRED)" CA 63 1.284 1 207 1 18 1 "RMS(OBS, PRED)" CB 63 3.198 1 208 1 18 1 "RMS(OBS, PRED)" H 59 0.527 1 209 1 18 1 "RMS(OBS, PRED)" HA 63 0.298 1 210 1 18 1 "RMS(OBS, PRED)" N 59 2.946 1 211 1 18 2 "RMS(OBS, PRED)" C 26 1.148 1 212 1 18 2 "RMS(OBS, PRED)" CA 26 1.147 1 213 1 18 2 "RMS(OBS, PRED)" CB 22 2.111 1 214 1 18 2 "RMS(OBS, PRED)" H 26 0.405 1 215 1 18 2 "RMS(OBS, PRED)" HA 29 0.361 1 216 1 18 2 "RMS(OBS, PRED)" N 26 2.653 1 217 1 19 1 "RMS(OBS, PRED)" C 58 1.345 1 218 1 19 1 "RMS(OBS, PRED)" CA 63 1.386 1 219 1 19 1 "RMS(OBS, PRED)" CB 63 3.457 1 220 1 19 1 "RMS(OBS, PRED)" H 59 0.536 1 221 1 19 1 "RMS(OBS, PRED)" HA 63 0.343 1 222 1 19 1 "RMS(OBS, PRED)" N 59 2.809 1 223 1 19 2 "RMS(OBS, PRED)" C 26 1.378 1 224 1 19 2 "RMS(OBS, PRED)" CA 26 1.710 1 225 1 19 2 "RMS(OBS, PRED)" CB 22 1.877 1 226 1 19 2 "RMS(OBS, PRED)" H 26 0.639 1 227 1 19 2 "RMS(OBS, PRED)" HA 29 0.434 1 228 1 19 2 "RMS(OBS, PRED)" N 26 3.578 1 229 1 20 1 "RMS(OBS, PRED)" C 58 1.393 1 230 1 20 1 "RMS(OBS, PRED)" CA 63 1.472 1 231 1 20 1 "RMS(OBS, PRED)" CB 63 3.460 1 232 1 20 1 "RMS(OBS, PRED)" H 59 0.521 1 233 1 20 1 "RMS(OBS, PRED)" HA 63 0.363 1 234 1 20 1 "RMS(OBS, PRED)" N 59 2.574 1 235 1 20 2 "RMS(OBS, PRED)" C 26 1.070 1 236 1 20 2 "RMS(OBS, PRED)" CA 26 1.539 1 237 1 20 2 "RMS(OBS, PRED)" CB 22 1.419 1 238 1 20 2 "RMS(OBS, PRED)" H 26 0.498 1 239 1 20 2 "RMS(OBS, PRED)" HA 29 0.339 1 240 1 20 2 "RMS(OBS, PRED)" N 26 2.674 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 31.772 0.704 2 1 16 . 1 1 A 5 5 VAL HA H 3 4.140 4.522 -0.382 2 1 26 . 1 1 A 5 5 VAL CB C 3 33.455 33.220 0.235 2 1 49 . 1 1 A 8 8 SER H H 6 8.148 8.455 -0.307 2 1 50 . 1 1 A 8 8 SER HA H 6 4.438 4.755 -0.317 2 1 53 . 1 1 A 8 8 SER C C 6 174.321 173.127 1.194 2 1 54 . 1 1 A 8 8 SER CA C 6 58.718 57.715 1.003 2 1 55 . 1 1 A 8 8 SER CB C 6 64.295 65.582 -1.287 2 1 56 . 1 1 A 8 8 SER N N 6 115.960 116.531 -0.571 2 1 57 . 1 1 A 9 9 TYR H H 7 7.915 8.540 -0.625 2 1 58 . 1 1 A 9 9 TYR HA H 7 4.585 4.708 -0.123 2 1 65 . 1 1 A 9 9 TYR C C 7 175.532 175.304 0.228 2 1 66 . 1 1 A 9 9 TYR CA C 7 58.335 57.523 0.812 2 1 67 . 1 1 A 9 9 TYR CB C 7 39.474 37.889 1.585 2 1 70 . 1 1 A 9 9 TYR N N 7 121.884 120.085 1.799 2 1 71 . 1 1 A 10 10 ARG H H 8 8.117 8.270 -0.153 2 1 72 . 1 1 A 10 10 ARG HA H 8 4.337 4.851 -0.514 2 1 79 . 1 1 A 10 10 ARG C C 8 175.898 174.687 1.211 2 1 80 . 1 1 A 10 10 ARG CA C 8 56.048 54.449 1.599 2 1 81 . 1 1 A 10 10 ARG CB C 8 31.492 33.350 -1.858 2 1 84 . 1 1 A 10 10 ARG N N 8 121.977 122.702 -0.725 2 1 104 . 1 1 A 13 13 CYS H H 11 8.633 8.122 0.511 2 1 105 . 1 1 A 13 13 CYS C C 11 174.618 173.586 1.032 2 1 106 . 1 1 A 13 13 CYS N N 11 114.595 116.071 -1.476 2 1 107 . 1 1 A 14 14 ARG H H 12 8.236 8.926 -0.690 2 1 108 . 1 1 A 14 14 ARG HA H 12 4.067 4.182 -0.115 2 1 115 . 1 1 A 14 14 ARG C C 12 175.098 175.462 -0.364 2 1 116 . 1 1 A 14 14 ARG CA C 12 57.370 57.563 -0.193 2 1 117 . 1 1 A 14 14 ARG CB C 12 31.631 31.172 0.459 2 1 120 . 1 1 A 14 14 ARG N N 12 122.779 125.812 -3.033 2 1 121 . 1 1 A 15 15 PHE H H 13 7.571 7.785 -0.214 2 1 122 . 1 1 A 15 15 PHE HA H 13 4.510 4.958 -0.448 2 1 129 . 1 1 A 15 15 PHE C C 13 174.162 174.907 -0.745 2 1 130 . 1 1 A 15 15 PHE CA C 13 56.289 56.309 -0.020 2 1 131 . 1 1 A 15 15 PHE CB C 13 41.320 42.156 -0.836 2 1 134 . 1 1 A 15 15 PHE N N 13 116.797 115.846 0.951 2 1 169 . 1 1 A 19 19 HIS HA H 17 4.832 4.939 -0.107 2 1 176 . 1 1 A 19 19 HIS CB C 17 30.214 29.373 0.841 2 1 195 . 1 1 A 21 21 ALA HA H 19 4.367 4.391 -0.024 2 1 201 . 1 1 A 21 21 ALA CB C 19 19.790 19.859 -0.069 2 1 203 . 1 1 A 22 22 ARG H H 20 7.790 8.178 -0.388 2 1 204 . 1 1 A 22 22 ARG HA H 20 2.451 3.112 -0.661 2 1 211 . 1 1 A 22 22 ARG C C 20 178.365 177.053 1.312 2 1 212 . 1 1 A 22 22 ARG CA C 20 59.379 58.014 1.365 2 1 213 . 1 1 A 22 22 ARG CB C 20 29.572 29.151 0.421 2 1 216 . 1 1 A 22 22 ARG N N 20 124.365 123.663 0.702 2 1 217 . 1 1 A 23 23 ALA H H 21 8.120 7.497 0.623 2 1 218 . 1 1 A 23 23 ALA HA H 21 4.060 4.121 -0.061 2 1 222 . 1 1 A 23 23 ALA C C 21 178.000 178.107 -0.107 2 1 223 . 1 1 A 23 23 ALA CA C 21 54.100 53.317 0.783 2 1 224 . 1 1 A 23 23 ALA CB C 21 18.713 18.606 0.107 2 1 225 . 1 1 A 23 23 ALA N N 21 117.156 121.104 -3.948 2 1 226 . 1 1 A 24 24 ASN H H 22 7.707 7.939 -0.232 2 1 227 . 1 1 A 24 24 ASN HA H 22 5.010 4.779 0.231 2 1 232 . 1 1 A 24 24 ASN C C 22 174.938 174.817 0.121 2 1 233 . 1 1 A 24 24 ASN CA C 22 52.869 52.998 -0.129 2 1 234 . 1 1 A 24 24 ASN CB C 22 40.573 39.110 1.463 2 1 235 . 1 1 A 24 24 ASN N N 22 112.819 115.143 -2.324 2 1 282 . 1 1 A 28 28 LEU HA H 26 5.190 5.164 0.026 2 1 292 . 1 1 A 28 28 LEU C C 26 175.510 175.288 0.222 2 1 293 . 1 1 A 28 28 LEU CA C 26 53.480 53.393 0.087 2 1 294 . 1 1 A 28 28 LEU CB C 26 45.235 45.035 0.200 2 1 299 . 1 1 A 29 29 LYS H H 27 9.572 9.227 0.345 2 1 315 . 1 1 A 29 29 LYS N N 27 123.488 124.450 -0.962 2 1 432 . 1 1 A 40 40 ILE H H 38 8.851 8.781 0.070 2 1 433 . 1 1 A 40 40 ILE HA H 38 5.087 5.043 0.044 2 1 443 . 1 1 A 40 40 ILE C C 38 174.390 174.833 -0.443 2 1 444 . 1 1 A 40 40 ILE CA C 38 60.582 59.952 0.630 2 1 445 . 1 1 A 40 40 ILE CB C 38 40.048 39.834 0.214 2 1 449 . 1 1 A 40 40 ILE N N 38 123.962 126.851 -2.889 2 1 450 . 1 1 A 41 41 VAL H H 39 9.090 9.496 -0.406 2 1 451 . 1 1 A 41 41 VAL HA H 39 4.822 4.894 -0.072 2 1 459 . 1 1 A 41 41 VAL C C 39 175.487 174.910 0.577 2 1 460 . 1 1 A 41 41 VAL CA C 39 59.980 61.017 -1.037 2 1 461 . 1 1 A 41 41 VAL CB C 39 35.868 34.119 1.749 2 1 464 . 1 1 A 41 41 VAL N N 39 126.354 128.364 -2.010 2 1 465 . 1 1 A 42 42 ALA H H 40 9.513 9.397 0.116 2 1 466 . 1 1 A 42 42 ALA HA H 40 5.137 5.278 -0.141 2 1 470 . 1 1 A 42 42 ALA C C 40 175.944 175.650 0.294 2 1 471 . 1 1 A 42 42 ALA CA C 40 50.591 50.302 0.289 2 1 472 . 1 1 A 42 42 ALA CB C 40 22.432 22.755 -0.323 2 1 473 . 1 1 A 42 42 ALA N N 40 128.406 128.868 -0.462 2 1 474 . 1 1 A 43 43 ARG H H 41 7.720 8.250 -0.530 2 1 475 . 1 1 A 43 43 ARG HA H 41 4.959 4.655 0.304 2 1 482 . 1 1 A 43 43 ARG C C 41 175.510 175.773 -0.263 2 1 483 . 1 1 A 43 43 ARG CA C 41 54.162 55.299 -1.137 2 1 484 . 1 1 A 43 43 ARG CB C 41 31.200 31.581 -0.382 2 1 487 . 1 1 A 43 43 ARG N N 41 121.795 122.000 -0.205 2 1 488 . 1 1 A 44 44 LEU H H 42 9.164 8.524 0.640 2 1 489 . 1 1 A 44 44 LEU HA H 42 5.021 4.416 0.605 2 1 499 . 1 1 A 44 44 LEU C C 42 177.840 177.301 0.539 2 1 500 . 1 1 A 44 44 LEU CA C 42 54.724 54.853 -0.129 2 1 501 . 1 1 A 44 44 LEU CB C 42 41.712 42.135 -0.423 2 1 505 . 1 1 A 44 44 LEU N N 42 129.087 125.054 4.033 2 1 506 . 1 1 A 45 45 LYS H H 43 8.396 8.644 -0.248 2 1 507 . 1 1 A 45 45 LYS HA H 43 3.950 4.183 -0.233 2 1 516 . 1 1 A 45 45 LYS CA C 43 59.016 56.935 2.080 2 1 517 . 1 1 A 45 45 LYS CB C 43 34.102 32.460 1.642 2 1 520 . 1 1 A 45 45 LYS N N 43 119.674 121.766 -2.091 2 1 521 . 1 1 A 48 48 ASN HA H 46 4.709 4.912 -0.203 2 1 526 . 1 1 A 48 48 ASN C C 46 175.098 174.883 0.215 2 1 527 . 1 1 A 48 48 ASN CA C 46 54.764 53.228 1.536 2 1 528 . 1 1 A 48 48 ASN CB C 46 39.265 40.324 -1.059 2 1 530 . 1 1 A 49 49 ARG H H 47 7.923 8.136 -0.213 2 1 531 . 1 1 A 49 49 ARG HA H 47 4.368 4.590 -0.222 2 1 538 . 1 1 A 49 49 ARG C C 47 175.601 175.006 0.595 2 1 539 . 1 1 A 49 49 ARG CA C 47 57.051 54.811 2.240 2 1 540 . 1 1 A 49 49 ARG CB C 47 32.121 31.701 0.420 2 1 543 . 1 1 A 49 49 ARG N N 47 119.826 117.561 2.265 2 1 544 . 1 1 A 50 50 GLN H H 48 8.547 8.512 0.035 2 1 545 . 1 1 A 50 50 GLN HA H 48 5.441 4.979 0.462 2 1 552 . 1 1 A 50 50 GLN C C 48 175.578 175.344 0.234 2 1 553 . 1 1 A 50 50 GLN CA C 48 55.125 54.736 0.389 2 1 554 . 1 1 A 50 50 GLN CB C 48 32.121 30.707 1.414 2 1 556 . 1 1 A 50 50 GLN N N 48 120.767 118.517 2.250 2 1 558 . 1 1 A 51 51 VAL H H 49 8.630 9.162 -0.532 2 1 559 . 1 1 A 51 51 VAL HA H 49 4.826 4.886 -0.060 2 1 567 . 1 1 A 51 51 VAL C C 49 175.258 174.181 1.077 2 1 568 . 1 1 A 51 51 VAL CA C 49 59.338 59.425 -0.087 2 1 569 . 1 1 A 51 51 VAL CB C 49 36.155 34.936 1.219 2 1 572 . 1 1 A 51 51 VAL N N 49 116.678 117.185 -0.507 2 1 573 . 1 1 A 52 52 CYS H H 50 9.095 8.869 0.226 2 1 574 . 1 1 A 52 52 CYS HA H 50 5.278 5.410 -0.132 2 1 577 . 1 1 A 52 52 CYS C C 50 174.527 173.037 1.490 2 1 578 . 1 1 A 52 52 CYS CA C 50 58.054 54.527 3.527 2 1 579 . 1 1 A 52 52 CYS CB C 50 43.162 44.118 -0.956 2 1 580 . 1 1 A 52 52 CYS N N 50 124.549 119.910 4.639 2 1 581 . 1 1 A 53 53 ILE H H 51 8.485 9.479 -0.994 2 1 582 . 1 1 A 53 53 ILE HA H 51 4.973 4.917 0.056 2 1 592 . 1 1 A 53 53 ILE C C 51 173.019 174.717 -1.698 2 1 593 . 1 1 A 53 53 ILE CA C 51 58.897 59.615 -0.718 2 1 594 . 1 1 A 53 53 ILE CB C 51 42.201 40.930 1.271 2 1 598 . 1 1 A 53 53 ILE N N 51 122.581 123.291 -0.710 2 1 599 . 1 1 A 54 54 ASP H H 52 7.661 8.477 -0.816 2 1 600 . 1 1 A 54 54 ASP HA H 52 3.611 4.328 -0.717 2 1 603 . 1 1 A 54 54 ASP CA C 52 51.574 51.738 -0.164 2 1 604 . 1 1 A 54 54 ASP CB C 52 42.515 41.914 0.601 2 1 605 . 1 1 A 54 54 ASP N N 52 125.772 125.952 -0.180 2 1 606 . 1 1 A 55 55 PRO HA H 53 4.010 4.310 -0.300 2 1 613 . 1 1 A 55 55 PRO C C 53 176.126 176.602 -0.476 2 1 614 . 1 1 A 55 55 PRO CA C 53 63.993 64.003 -0.010 2 1 615 . 1 1 A 55 55 PRO CB C 53 33.002 31.646 1.356 2 1 618 . 1 1 A 56 56 LYS H H 54 7.930 7.975 -0.045 2 1 619 . 1 1 A 56 56 LYS HA H 54 3.988 4.394 -0.406 2 1 628 . 1 1 A 56 56 LYS C C 54 177.931 176.077 1.854 2 1 629 . 1 1 A 56 56 LYS CA C 54 56.770 55.910 0.860 2 1 630 . 1 1 A 56 56 LYS CB C 54 32.023 33.035 -1.012 2 1 634 . 1 1 A 56 56 LYS N N 54 112.924 116.229 -3.305 2 1 635 . 1 1 A 57 57 LEU H H 55 7.161 7.110 0.051 2 1 636 . 1 1 A 57 57 LEU HA H 55 4.059 4.086 -0.027 2 1 646 . 1 1 A 57 57 LEU C C 55 179.416 177.551 1.865 2 1 647 . 1 1 A 57 57 LEU CA C 55 56.088 55.363 0.725 2 1 648 . 1 1 A 57 57 LEU CB C 55 42.191 42.854 -0.663 2 1 652 . 1 1 A 57 57 LEU N N 55 120.593 122.700 -2.107 2 1 653 . 1 1 A 58 58 LYS H H 56 8.720 8.898 -0.178 2 1 654 . 1 1 A 58 58 LYS HA H 56 3.911 3.932 -0.021 2 1 663 . 1 1 A 58 58 LYS C C 56 178.937 178.163 0.774 2 1 664 . 1 1 A 58 58 LYS CA C 56 60.301 59.577 0.724 2 1 665 . 1 1 A 58 58 LYS CB C 56 32.121 32.441 -0.320 2 1 669 . 1 1 A 58 58 LYS N N 56 125.479 125.279 0.200 2 1 670 . 1 1 A 59 59 TRP H H 57 7.811 8.297 -0.486 2 1 671 . 1 1 A 59 59 TRP HA H 57 4.664 4.515 0.149 2 1 680 . 1 1 A 59 59 TRP C C 57 178.868 179.412 -0.544 2 1 681 . 1 1 A 59 59 TRP CA C 57 58.897 59.874 -0.977 2 1 682 . 1 1 A 59 59 TRP CB C 57 28.036 28.055 -0.019 2 1 688 . 1 1 A 59 59 TRP N N 57 113.433 119.105 -5.672 2 1 690 . 1 1 A 60 60 ILE H H 58 6.461 7.434 -0.973 2 1 691 . 1 1 A 60 60 ILE HA H 58 3.304 3.455 -0.151 2 1 701 . 1 1 A 60 60 ILE C C 58 177.726 177.750 -0.024 2 1 702 . 1 1 A 60 60 ILE CA C 58 64.314 64.689 -0.375 2 1 703 . 1 1 A 60 60 ILE CB C 58 35.897 36.819 -0.922 2 1 707 . 1 1 A 60 60 ILE N N 58 124.379 122.451 1.928 2 1 708 . 1 1 A 61 61 GLN H H 59 7.624 8.393 -0.769 2 1 709 . 1 1 A 61 61 GLN HA H 59 3.748 3.895 -0.147 2 1 716 . 1 1 A 61 61 GLN C C 59 178.434 178.947 -0.513 2 1 717 . 1 1 A 61 61 GLN CA C 59 59.379 59.301 0.078 2 1 718 . 1 1 A 61 61 GLN CB C 59 28.272 28.311 -0.039 2 1 720 . 1 1 A 61 61 GLN N N 59 119.070 118.732 0.338 2 1 722 . 1 1 A 62 62 GLU H H 60 8.064 8.066 -0.002 2 1 723 . 1 1 A 62 62 GLU HA H 60 4.083 4.094 -0.011 2 1 728 . 1 1 A 62 62 GLU C C 60 179.051 178.675 0.376 2 1 729 . 1 1 A 62 62 GLU CA C 60 59.659 59.262 0.397 2 1 730 . 1 1 A 62 62 GLU CB C 60 30.457 29.641 0.816 2 1 732 . 1 1 A 62 62 GLU N N 60 117.166 120.292 -3.126 2 1 733 . 1 1 A 63 63 TYR H H 61 7.924 8.334 -0.410 2 1 734 . 1 1 A 63 63 TYR HA H 61 4.254 4.251 0.003 2 1 741 . 1 1 A 63 63 TYR C C 61 178.617 177.453 1.164 2 1 742 . 1 1 A 63 63 TYR CA C 61 61.184 61.504 -0.320 2 1 743 . 1 1 A 63 63 TYR CB C 61 39.461 38.720 0.741 2 1 746 . 1 1 A 63 63 TYR N N 61 121.271 122.395 -1.124 2 1 747 . 1 1 A 64 64 LEU H H 62 8.260 8.977 -0.717 2 1 748 . 1 1 A 64 64 LEU HA H 62 3.954 3.955 -0.001 2 1 758 . 1 1 A 64 64 LEU C C 62 179.553 179.139 0.414 2 1 759 . 1 1 A 64 64 LEU CA C 62 58.014 58.195 -0.181 2 1 760 . 1 1 A 64 64 LEU CB C 62 42.191 41.491 0.700 2 1 764 . 1 1 A 64 64 LEU N N 62 116.299 120.187 -3.888 2 1 765 . 1 1 A 65 65 GLU H H 63 8.454 8.208 0.246 2 1 766 . 1 1 A 65 65 GLU HA H 63 3.840 3.934 -0.094 2 1 771 . 1 1 A 65 65 GLU C C 63 179.279 179.147 0.132 2 1 772 . 1 1 A 65 65 GLU CA C 63 60.301 59.781 0.520 2 1 773 . 1 1 A 65 65 GLU CB C 63 29.870 29.214 0.656 2 1 775 . 1 1 A 65 65 GLU N N 63 118.616 118.091 0.525 2 1 776 . 1 1 A 66 66 LYS H H 64 7.575 8.122 -0.547 2 1 777 . 1 1 A 66 66 LYS HA H 64 4.212 4.061 0.151 2 1 786 . 1 1 A 66 66 LYS C C 64 178.457 178.775 -0.318 2 1 787 . 1 1 A 66 66 LYS CA C 64 58.496 59.121 -0.625 2 1 788 . 1 1 A 66 66 LYS CB C 64 32.400 32.060 0.340 2 1 792 . 1 1 A 66 66 LYS N N 64 117.166 118.553 -1.387 2 1 793 . 1 1 A 67 67 CYS H H 65 7.918 7.971 -0.053 2 1 794 . 1 1 A 67 67 CYS HA H 65 4.526 4.173 0.353 2 1 797 . 1 1 A 67 67 CYS C C 65 174.893 177.285 -2.392 2 1 798 . 1 1 A 67 67 CYS CA C 65 56.329 61.928 -5.599 2 1 799 . 1 1 A 67 67 CYS CB C 65 45.235 27.144 18.091 2 1 800 . 1 1 A 67 67 CYS N N 65 115.330 118.591 -3.261 2 1 801 . 1 1 A 68 68 LEU H H 66 7.559 7.781 -0.222 2 1 802 . 1 1 A 68 68 LEU HA H 66 4.490 4.046 0.444 2 1 812 . 1 1 A 68 68 LEU C C 66 176.812 177.809 -0.997 2 1 813 . 1 1 A 68 68 LEU CA C 66 55.366 57.708 -2.342 2 1 814 . 1 1 A 68 68 LEU CB C 66 43.278 41.736 1.542 2 1 818 . 1 1 A 68 68 LEU N N 66 120.930 122.514 -1.584 2 1 819 . 1 1 A 69 69 ASN H H 67 8.265 7.785 0.480 2 1 820 . 1 1 A 69 69 ASN HA H 67 4.669 4.877 -0.208 2 1 825 . 1 1 A 69 69 ASN CA C 67 53.761 53.946 -0.185 2 1 826 . 1 1 A 69 69 ASN CB C 67 39.069 39.928 -0.859 2 1 827 . 1 1 A 69 69 ASN N N 67 120.279 115.744 4.535 2 1 852 . 2 2 B 4 4 GLU H H 102 8.329 8.253 0.076 2 1 853 . 2 2 B 4 4 GLU HA H 102 4.282 4.607 -0.325 2 1 858 . 2 2 B 4 4 GLU C C 102 177.132 176.131 1.001 2 1 859 . 2 2 B 4 4 GLU CA C 102 57.410 59.453 -2.043 2 1 861 . 2 2 B 4 4 GLU N N 102 121.884 120.893 0.991 2 1 862 . 2 2 B 5 5 GLY H H 103 8.335 8.454 -0.119 2 1 863 . 2 2 B 5 5 GLY HA2 H 103 3.941 4.075 -0.134 2 1 864 . 2 2 B 5 5 GLY HA3 H 103 3.941 4.075 -0.134 2 1 865 . 2 2 B 5 5 GLY C C 103 174.207 174.505 -0.298 2 1 866 . 2 2 B 5 5 GLY CA C 103 45.731 53.169 -7.438 2 1 867 . 2 2 B 5 5 GLY N N 103 110.055 115.957 -5.902 2 1 868 . 2 2 B 6 6 ILE H H 104 7.831 8.497 -0.666 2 1 869 . 2 2 B 6 6 ILE HA H 104 4.269 4.525 -0.256 2 1 879 . 2 2 B 6 6 ILE C C 104 176.401 174.848 1.553 2 1 880 . 2 2 B 6 6 ILE CA C 104 61.558 60.154 1.403 2 1 881 . 2 2 B 6 6 ILE CB C 104 39.436 51.410 -11.974 2 1 885 . 2 2 B 6 6 ILE N N 104 119.606 122.069 -2.463 2 1 886 . 2 2 B 7 7 SER H H 105 8.324 8.325 -0.001 2 1 887 . 2 2 B 7 7 SER HA H 105 4.535 4.677 -0.142 2 1 890 . 2 2 B 7 7 SER C C 105 174.550 175.052 -0.502 2 1 891 . 2 2 B 7 7 SER CA C 105 58.667 56.075 2.592 2 1 892 . 2 2 B 7 7 SER CB C 105 64.072 53.490 10.582 2 1 893 . 2 2 B 7 7 SER N N 105 119.717 120.562 -0.845 2 1 937 . 2 2 B 11 11 SER H H 109 8.211 8.659 -0.448 2 1 938 . 2 2 B 11 11 SER HA H 109 4.507 4.860 -0.353 2 1 941 . 2 2 B 11 11 SER C C 109 174.504 173.771 0.733 2 1 942 . 2 2 B 11 11 SER CA C 109 58.919 56.203 2.716 2 1 943 . 2 2 B 11 11 SER CB C 109 64.198 54.024 10.174 2 1 944 . 2 2 B 11 11 SER N N 109 117.260 120.967 -3.707 2 1 945 . 2 2 B 12 12 ASP H H 110 8.323 8.360 -0.037 2 1 946 . 2 2 B 12 12 ASP HA H 110 4.620 4.521 0.099 2 1 949 . 2 2 B 12 12 ASP C C 110 176.058 175.460 0.598 2 1 950 . 2 2 B 12 12 ASP CA C 110 55.022 59.744 -4.722 2 1 951 . 2 2 B 12 12 ASP CB C 110 41.825 36.280 5.545 2 1 952 . 2 2 B 12 12 ASP N N 110 122.020 122.302 -0.282 2 1 986 . 2 2 B 16 16 GLU H H 114 8.378 8.517 -0.139 2 1 987 . 2 2 B 16 16 GLU HA H 114 4.268 5.055 -0.787 2 1 992 . 2 2 B 16 16 GLU C C 114 176.766 174.708 2.058 2 1 993 . 2 2 B 16 16 GLU CA C 114 57.410 55.626 1.784 2 1 994 . 2 2 B 16 16 GLU CB C 114 30.620 36.647 -6.027 2 1 996 . 2 2 B 16 16 GLU N N 114 123.052 120.855 2.197 2 1 997 . 2 2 B 17 17 GLU H H 115 8.326 9.086 -0.760 2 1 998 . 2 2 B 17 17 GLU HA H 115 4.274 4.573 -0.299 2 1 1003 . 2 2 B 17 17 GLU C C 115 176.880 176.240 0.640 2 1 1004 . 2 2 B 17 17 GLU CA C 115 57.410 56.379 1.031 2 1 1005 . 2 2 B 17 17 GLU CB C 115 30.525 30.794 -0.269 2 1 1007 . 2 2 B 17 17 GLU N N 115 121.688 122.416 -0.728 2 1 1008 . 2 2 B 18 18 MET H H 116 8.309 8.783 -0.474 2 1 1009 . 2 2 B 18 18 MET HA H 116 4.473 4.733 -0.260 2 1 1014 . 2 2 B 18 18 MET C C 116 177.086 175.190 1.896 2 1 1015 . 2 2 B 18 18 MET CA C 116 56.279 57.035 -0.756 2 1 1016 . 2 2 B 18 18 MET CB C 116 33.026 49.285 -16.259 2 1 1017 . 2 2 B 18 18 MET N N 116 121.270 119.953 1.317 2 1 1018 . 2 2 B 19 19 GLY H H 117 8.335 8.270 0.065 2 1 1019 . 2 2 B 19 19 GLY HA2 H 117 4.054 4.058 -0.004 2 1 1020 . 2 2 B 19 19 GLY HA3 H 117 4.054 4.058 -0.004 2 1 1021 . 2 2 B 19 19 GLY C C 117 174.481 174.073 0.408 2 1 1022 . 2 2 B 19 19 GLY CA C 117 45.847 50.122 -4.275 2 1 1023 . 2 2 B 19 19 GLY N N 117 110.055 114.691 -4.636 2 1 1024 . 2 2 B 20 20 SER H H 118 8.230 8.526 -0.296 2 1 1025 . 2 2 B 20 20 SER HA H 118 4.476 4.595 -0.119 2 1 1028 . 2 2 B 20 20 SER C C 118 175.327 174.458 0.869 2 1 1029 . 2 2 B 20 20 SER CA C 118 58.919 59.556 -0.637 2 1 1030 . 2 2 B 20 20 SER CB C 118 64.575 49.603 14.972 2 1 1031 . 2 2 B 20 20 SER N N 118 115.664 119.685 -4.021 2 1 1032 . 2 2 B 21 21 GLY H H 119 8.354 8.469 -0.115 2 1 1033 . 2 2 B 21 21 GLY HA2 H 119 3.941 4.059 -0.118 2 1 1034 . 2 2 B 21 21 GLY HA3 H 119 3.941 4.060 -0.119 2 1 1035 . 2 2 B 21 21 GLY C C 119 174.002 175.498 -1.496 2 1 1036 . 2 2 B 21 21 GLY CA C 119 45.721 48.355 -2.634 2 1 1037 . 2 2 B 21 21 GLY N N 119 110.872 119.109 -8.237 2 1 1068 . 2 2 B 25 25 SER H H 123 8.155 7.724 0.431 2 1 1069 . 2 2 B 25 25 SER HA H 123 4.391 4.189 0.202 2 1 1072 . 2 2 B 25 25 SER C C 123 175.075 174.369 0.706 2 1 1073 . 2 2 B 25 25 SER CA C 123 59.347 59.961 -0.614 2 1 1074 . 2 2 B 25 25 SER CB C 123 63.879 47.967 15.912 2 1 1075 . 2 2 B 25 25 SER N N 123 116.126 115.657 0.469 2 1 1076 . 2 2 B 26 26 MET H H 124 8.221 8.501 -0.280 2 1 1077 . 2 2 B 26 26 MET HA H 124 4.476 4.655 -0.179 2 1 1082 . 2 2 B 26 26 MET C C 124 176.355 175.628 0.727 2 1 1083 . 2 2 B 26 26 MET CA C 124 56.279 56.161 0.117 2 1 1084 . 2 2 B 26 26 MET CB C 124 32.900 34.003 -1.103 2 1 1086 . 2 2 B 26 26 MET N N 124 121.210 121.470 -0.260 2 1 1087 . 2 2 B 27 27 LYS H H 125 8.025 8.147 -0.122 2 1 1088 . 2 2 B 27 27 LYS HA H 125 4.312 5.023 -0.711 2 1 1097 . 2 2 B 27 27 LYS C C 125 176.355 173.825 2.530 2 1 1098 . 2 2 B 27 27 LYS CA C 125 56.656 54.549 2.107 2 1 1099 . 2 2 B 27 27 LYS CB C 125 33.529 34.328 -0.799 2 1 1103 . 2 2 B 27 27 LYS N N 125 121.457 118.520 2.937 2 1 1104 . 2 2 B 28 28 GLU H H 126 8.222 8.879 -0.657 2 1 1105 . 2 2 B 28 28 GLU N N 126 122.740 119.549 3.191 2 1 1106 . 2 2 B 29 29 PRO HA H 127 4.355 4.904 -0.549 2 1 1113 . 2 2 B 29 29 PRO C C 127 176.812 175.581 1.231 2 1 1114 . 2 2 B 29 29 PRO CA C 127 63.821 58.841 4.980 2 1 1115 . 2 2 B 29 29 PRO CB C 127 32.272 34.035 -1.763 2 1 1118 . 2 2 B 30 30 ALA H H 128 8.267 8.748 -0.481 2 1 1119 . 2 2 B 30 30 ALA HA H 128 4.269 4.812 -0.543 2 1 1123 . 2 2 B 30 30 ALA C C 128 177.589 176.361 1.228 2 1 1124 . 2 2 B 30 30 ALA CA C 128 52.873 55.904 -3.031 2 1 1125 . 2 2 B 30 30 ALA CB C 128 19.703 29.451 -9.748 2 1 1126 . 2 2 B 30 30 ALA N N 128 123.577 125.826 -2.249 2 1 1127 . 2 2 B 31 31 PHE H H 129 8.019 8.811 -0.792 2 1 1128 . 2 2 B 31 31 PHE HA H 129 4.621 4.735 -0.114 2 1 1136 . 2 2 B 31 31 PHE C C 129 175.624 175.159 0.465 2 1 1137 . 2 2 B 31 31 PHE CA C 129 58.039 56.474 1.565 2 1 1138 . 2 2 B 31 31 PHE CB C 129 40.055 41.889 -1.834 2 1 1142 . 2 2 B 31 31 PHE N N 129 118.994 123.129 -4.135 2 1 1143 . 2 2 B 32 32 ARG H H 130 8.029 8.432 -0.403 2 1 1144 . 2 2 B 32 32 ARG HA H 130 4.309 4.776 -0.467 2 1 1151 . 2 2 B 32 32 ARG C C 130 175.875 174.756 1.119 2 1 1152 . 2 2 B 32 32 ARG CA C 130 56.154 53.708 2.446 2 1 1153 . 2 2 B 32 32 ARG CB C 130 31.643 36.068 -4.425 2 1 1156 . 2 2 B 32 32 ARG N N 130 122.929 121.212 1.717 2 1 1157 . 2 2 B 33 33 GLU H H 131 8.374 8.541 -0.167 2 1 1158 . 2 2 B 33 33 GLU HA H 131 4.276 4.767 -0.491 2 1 1163 . 2 2 B 33 33 GLU C C 131 176.766 175.911 0.855 2 1 1164 . 2 2 B 33 33 GLU CA C 131 57.285 57.584 -0.299 2 1 1165 . 2 2 B 33 33 GLU CB C 131 30.512 50.260 -19.748 2 1 1167 . 2 2 B 33 33 GLU N N 131 122.719 119.192 3.527 2 1 1168 . 2 2 B 34 34 GLU H H 132 8.509 8.786 -0.277 2 1 1169 . 2 2 B 34 34 GLU HA H 132 4.271 4.617 -0.346 2 1 1174 . 2 2 B 34 34 GLU C C 132 176.560 175.644 0.916 2 1 1175 . 2 2 B 34 34 GLU CA C 132 57.400 60.003 -2.603 2 1 1176 . 2 2 B 34 34 GLU CB C 132 30.530 31.555 -1.025 2 1 1178 . 2 2 B 34 34 GLU N N 132 122.122 123.151 -1.029 2 1 1179 . 2 2 B 35 35 ASN H H 133 8.362 8.494 -0.132 2 1 1180 . 2 2 B 35 35 ASN HA H 133 4.693 4.913 -0.220 2 1 1183 . 2 2 B 35 35 ASN C C 133 175.258 174.445 0.813 2 1 1184 . 2 2 B 35 35 ASN CA C 133 53.765 53.306 0.459 2 1 1185 . 2 2 B 35 35 ASN CB C 133 39.562 39.536 0.026 2 1 1186 . 2 2 B 35 35 ASN N N 133 119.552 118.747 0.805 2 1 1187 . 2 2 B 36 36 ALA H H 134 8.155 7.981 0.174 2 1 1188 . 2 2 B 36 36 ALA HA H 134 4.265 4.751 -0.486 2 1 1192 . 2 2 B 36 36 ALA C C 134 177.520 175.052 2.468 2 1 1193 . 2 2 B 36 36 ALA CA C 134 52.873 53.128 -0.255 2 1 1194 . 2 2 B 36 36 ALA CB C 134 19.703 33.165 -13.462 2 1 1195 . 2 2 B 36 36 ALA N N 134 124.376 120.980 3.396 2 1 1196 . 2 2 B 37 37 ASN H H 135 8.210 8.470 -0.260 2 1 1197 . 2 2 B 37 37 ASN HA H 135 4.688 4.531 0.157 2 1 1200 . 2 2 B 37 37 ASN C C 135 175.144 175.849 -0.705 2 1 1201 . 2 2 B 37 37 ASN CA C 135 53.640 53.397 0.243 2 1 1202 . 2 2 B 37 37 ASN CB C 135 39.311 29.637 9.674 2 1 1203 . 2 2 B 37 37 ASN N N 135 117.103 122.536 -5.433 2 1 1204 . 2 2 B 38 38 PHE H H 136 7.997 8.215 -0.218 2 1 1205 . 2 2 B 38 38 PHE HA H 136 4.623 4.625 -0.002 2 1 1212 . 2 2 B 38 38 PHE C C 136 175.601 173.998 1.603 2 1 1213 . 2 2 B 38 38 PHE CA C 136 58.165 58.077 0.088 2 1 1214 . 2 2 B 38 38 PHE CB C 136 39.939 34.222 5.717 2 1 1217 . 2 2 B 38 38 PHE N N 136 120.229 118.593 1.636 2 1 1218 . 2 2 B 39 39 ASN H H 137 8.272 8.608 -0.336 2 1 1219 . 2 2 B 39 39 ASN HA H 137 4.702 4.886 -0.184 2 1 1222 . 2 2 B 39 39 ASN C C 137 174.047 174.406 -0.359 2 1 1223 . 2 2 B 39 39 ASN CA C 137 53.891 53.955 -0.064 2 1 1224 . 2 2 B 39 39 ASN CB C 137 39.688 35.420 4.268 2 1 1225 . 2 2 B 39 39 ASN N N 137 120.594 123.595 -3.001 2 stop_ save_