data_10229_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10229
_Entry.PDB_ID 2EN0
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.956 4.169 -0.213 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.956 4.171 -0.215 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.066 173.136 0.930 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.322 44.813 0.509 1
1 5 . 1 1 1 A 8 8 GLN H H 8 8.173 8.324 -0.151 1
1 6 . 1 1 1 A 8 8 GLN HA H 8 4.244 4.479 -0.235 1
1 13 . 1 1 1 A 8 8 GLN C C 8 176.010 175.515 0.495 1
1 14 . 1 1 1 A 8 8 GLN CA C 8 56.057 55.928 0.129 1
1 15 . 1 1 1 A 8 8 GLN CB C 8 29.452 28.677 0.775 1
1 17 . 1 1 1 A 8 8 GLN N N 8 119.348 120.341 -0.993 1
1 19 . 1 1 1 A 9 9 LYS H H 9 8.307 8.264 0.043 1
1 20 . 1 1 1 A 9 9 LYS HA H 9 4.522 5.032 -0.510 1
1 29 . 1 1 1 A 9 9 LYS C C 9 173.766 175.288 -1.522 1
1 30 . 1 1 1 A 9 9 LYS CA C 9 53.843 53.517 0.326 1
1 31 . 1 1 1 A 9 9 LYS CB C 9 33.164 33.298 -0.134 1
1 35 . 1 1 1 A 9 9 LYS N N 9 122.358 125.292 -2.934 1
1 36 . 1 1 1 A 10 10 PRO HA H 10 4.279 4.360 -0.081 1
1 43 . 1 1 1 A 10 10 PRO C C 10 176.401 175.957 0.444 1
1 44 . 1 1 1 A 10 10 PRO CA C 10 63.416 64.832 -1.416 1
1 45 . 1 1 1 A 10 10 PRO CB C 10 32.288 31.748 0.540 1
1 48 . 1 1 1 A 11 11 TYR H H 11 7.923 7.908 0.015 1
1 49 . 1 1 1 A 11 11 TYR HA H 11 4.623 4.682 -0.059 1
1 56 . 1 1 1 A 11 11 TYR C C 11 174.286 175.623 -1.337 1
1 57 . 1 1 1 A 11 11 TYR CA C 11 57.971 57.593 0.378 1
1 58 . 1 1 1 A 11 11 TYR CB C 11 38.024 37.534 0.490 1
1 63 . 1 1 1 A 11 11 TYR N N 11 119.366 117.879 1.487 1
1 64 . 1 1 1 A 12 12 VAL H H 12 8.401 8.583 -0.182 1
1 65 . 1 1 1 A 12 12 VAL HA H 12 4.579 4.872 -0.293 1
1 73 . 1 1 1 A 12 12 VAL C C 12 175.233 175.201 0.032 1
1 74 . 1 1 1 A 12 12 VAL CA C 12 61.292 60.849 0.443 1
1 75 . 1 1 1 A 12 12 VAL CB C 12 34.524 34.412 0.112 1
1 78 . 1 1 1 A 12 12 VAL N N 12 125.266 124.403 0.863 1
1 79 . 1 1 1 A 13 13 CYS H H 13 9.209 9.289 -0.080 1
1 80 . 1 1 1 A 13 13 CYS HA H 13 4.594 4.619 -0.025 1
1 83 . 1 1 1 A 13 13 CYS C C 13 177.334 175.896 1.438 1
1 84 . 1 1 1 A 13 13 CYS CA C 13 59.708 59.589 0.119 1
1 85 . 1 1 1 A 13 13 CYS CB C 13 29.650 28.500 1.150 1
1 86 . 1 1 1 A 13 13 CYS N N 13 129.222 126.850 2.372 1
1 87 . 1 1 1 A 14 14 ASN H H 14 9.507 9.013 0.494 1
1 88 . 1 1 1 A 14 14 ASN HA H 14 4.511 4.726 -0.215 1
1 93 . 1 1 1 A 14 14 ASN C C 14 175.327 176.062 -0.735 1
1 94 . 1 1 1 A 14 14 ASN CA C 14 55.760 54.795 0.965 1
1 95 . 1 1 1 A 14 14 ASN CB C 14 38.946 38.406 0.540 1
1 96 . 1 1 1 A 14 14 ASN N N 14 130.952 126.381 4.571 1
1 98 . 1 1 1 A 15 15 GLU H H 15 8.759 7.981 0.778 1
1 99 . 1 1 1 A 15 15 GLU HA H 15 4.236 4.142 0.094 1
1 104 . 1 1 1 A 15 15 GLU C C 15 177.222 177.869 -0.647 1
1 105 . 1 1 1 A 15 15 GLU CA C 15 58.127 58.210 -0.083 1
1 106 . 1 1 1 A 15 15 GLU CB C 15 29.464 30.057 -0.593 1
1 108 . 1 1 1 A 15 15 GLU N N 15 120.367 117.867 2.500 1
1 109 . 1 1 1 A 16 16 CYS H H 16 8.075 8.020 0.055 1
1 110 . 1 1 1 A 16 16 CYS HA H 16 5.189 4.715 0.474 1
1 113 . 1 1 1 A 16 16 CYS C C 16 176.487 175.559 0.928 1
1 114 . 1 1 1 A 16 16 CYS CA C 16 58.273 59.332 -1.059 1
1 115 . 1 1 1 A 16 16 CYS CB C 16 32.589 30.394 2.195 1
1 116 . 1 1 1 A 16 16 CYS N N 16 115.028 115.088 -0.060 1
1 117 . 1 1 1 A 17 17 GLY H H 17 8.119 8.268 -0.149 1
1 118 . 1 1 1 A 17 17 GLY HA2 H 17 3.740 4.064 -0.324 1
1 119 . 1 1 1 A 17 17 GLY HA3 H 17 4.184 4.079 0.105 1
1 120 . 1 1 1 A 17 17 GLY C C 17 173.579 174.229 -0.650 1
1 121 . 1 1 1 A 17 17 GLY CA C 17 46.154 45.183 0.971 1
1 122 . 1 1 1 A 17 17 GLY N N 17 113.446 110.288 3.158 1
1 123 . 1 1 1 A 18 18 LYS H H 18 7.999 8.042 -0.043 1
1 124 . 1 1 1 A 18 18 LYS HA H 18 3.902 4.450 -0.548 1
1 133 . 1 1 1 A 18 18 LYS C C 18 173.431 175.586 -2.155 1
1 134 . 1 1 1 A 18 18 LYS CA C 18 58.308 55.196 3.112 1
1 135 . 1 1 1 A 18 18 LYS CB C 18 33.373 33.765 -0.392 1
1 139 . 1 1 1 A 18 18 LYS N N 18 123.594 121.893 1.701 1
1 140 . 1 1 1 A 19 19 ALA H H 19 7.690 8.655 -0.965 1
1 141 . 1 1 1 A 19 19 ALA HA H 19 5.156 5.601 -0.445 1
1 145 . 1 1 1 A 19 19 ALA C C 19 176.397 176.004 0.393 1
1 146 . 1 1 1 A 19 19 ALA CA C 19 50.116 50.563 -0.447 1
1 147 . 1 1 1 A 19 19 ALA CB C 19 22.761 21.529 1.232 1
1 148 . 1 1 1 A 19 19 ALA N N 19 124.433 128.990 -4.557 1
1 149 . 1 1 1 A 20 20 PHE H H 20 8.988 9.265 -0.277 1
1 150 . 1 1 1 A 20 20 PHE HA H 20 4.671 4.997 -0.326 1
1 158 . 1 1 1 A 20 20 PHE C C 20 175.608 176.633 -1.025 1
1 159 . 1 1 1 A 20 20 PHE CA C 20 57.288 56.184 1.104 1
1 160 . 1 1 1 A 20 20 PHE CB C 20 43.643 40.872 2.771 1
1 166 . 1 1 1 A 20 20 PHE N N 20 117.426 117.905 -0.479 1
1 167 . 1 1 1 A 21 21 GLY H H 21 9.144 8.797 0.347 1
1 168 . 1 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 1 1 1 A 21 21 GLY HA3 H 21 4.380 3.989 0.391 1
1 170 . 1 1 1 A 21 21 GLY C C 21 173.415 174.353 -0.938 1
1 171 . 1 1 1 A 21 21 GLY CA C 21 46.269 47.375 -1.106 1
1 172 . 1 1 1 A 21 21 GLY N N 21 108.353 110.951 -2.598 1
1 173 . 1 1 1 A 22 22 LEU H H 22 7.492 7.868 -0.376 1
1 174 . 1 1 1 A 22 22 LEU HA H 22 4.888 4.802 0.086 1
1 184 . 1 1 1 A 22 22 LEU C C 22 176.995 176.580 0.415 1
1 185 . 1 1 1 A 22 22 LEU CA C 22 53.043 53.154 -0.111 1
1 186 . 1 1 1 A 22 22 LEU CB C 22 45.693 44.413 1.280 1
1 190 . 1 1 1 A 22 22 LEU N N 22 117.179 120.875 -3.696 1
1 191 . 1 1 1 A 23 23 LYS H H 23 8.346 8.417 -0.071 1
1 192 . 1 1 1 A 23 23 LYS HA H 23 3.000 2.579 0.421 1
1 201 . 1 1 1 A 23 23 LYS C C 23 178.113 178.076 0.037 1
1 202 . 1 1 1 A 23 23 LYS CA C 23 59.056 58.681 0.375 1
1 203 . 1 1 1 A 23 23 LYS CB C 23 31.452 32.004 -0.552 1
1 207 . 1 1 1 A 23 23 LYS N N 23 127.252 123.112 4.140 1
1 208 . 1 1 1 A 24 24 SER H H 24 8.360 8.147 0.213 1
1 209 . 1 1 1 A 24 24 SER HA H 24 3.865 3.976 -0.111 1
1 212 . 1 1 1 A 24 24 SER C C 24 176.854 176.459 0.395 1
1 213 . 1 1 1 A 24 24 SER CA C 24 60.651 61.904 -1.253 1
1 214 . 1 1 1 A 24 24 SER CB C 24 61.315 63.049 -1.734 1
1 215 . 1 1 1 A 24 24 SER N N 24 111.653 115.660 -4.007 1
1 216 . 1 1 1 A 25 25 GLN H H 25 6.647 8.058 -1.411 1
1 217 . 1 1 1 A 25 25 GLN HA H 25 3.895 3.935 -0.040 1
1 224 . 1 1 1 A 25 25 GLN C C 25 178.428 177.905 0.523 1
1 225 . 1 1 1 A 25 25 GLN CA C 25 57.613 58.761 -1.148 1
1 226 . 1 1 1 A 25 25 GLN CB C 25 28.573 28.209 0.364 1
1 228 . 1 1 1 A 25 25 GLN N N 25 119.141 121.109 -1.968 1
1 230 . 1 1 1 A 26 26 LEU H H 26 6.992 7.633 -0.641 1
1 231 . 1 1 1 A 26 26 LEU HA H 26 3.324 2.869 0.455 1
1 241 . 1 1 1 A 26 26 LEU C C 26 177.103 178.217 -1.114 1
1 242 . 1 1 1 A 26 26 LEU CA C 26 57.854 57.087 0.767 1
1 243 . 1 1 1 A 26 26 LEU CB C 26 40.350 41.650 -1.300 1
1 247 . 1 1 1 A 26 26 LEU N N 26 122.365 120.047 2.318 1
1 248 . 1 1 1 A 27 27 ILE H H 27 7.971 7.726 0.245 1
1 249 . 1 1 1 A 27 27 ILE HA H 27 3.725 3.659 0.066 1
1 259 . 1 1 1 A 27 27 ILE C C 27 178.803 178.167 0.636 1
1 260 . 1 1 1 A 27 27 ILE CA C 27 64.616 65.360 -0.744 1
1 261 . 1 1 1 A 27 27 ILE CB C 27 37.833 37.843 -0.010 1
1 265 . 1 1 1 A 27 27 ILE N N 27 118.447 119.363 -0.916 1
1 266 . 1 1 1 A 28 28 ILE H H 28 7.047 7.993 -0.946 1
1 267 . 1 1 1 A 28 28 ILE HA H 28 3.572 3.655 -0.083 1
1 277 . 1 1 1 A 28 28 ILE C C 28 178.591 178.451 0.140 1
1 278 . 1 1 1 A 28 28 ILE CA C 28 64.607 64.496 0.111 1
1 279 . 1 1 1 A 28 28 ILE CB C 28 38.385 36.947 1.438 1
1 283 . 1 1 1 A 28 28 ILE N N 28 118.309 120.708 -2.399 1
1 284 . 1 1 1 A 29 29 HIS H H 29 7.575 7.584 -0.009 1
1 285 . 1 1 1 A 29 29 HIS HA H 29 4.116 4.155 -0.039 1
1 290 . 1 1 1 A 29 29 HIS C C 29 176.399 177.080 -0.681 1
1 291 . 1 1 1 A 29 29 HIS CA C 29 59.638 59.678 -0.040 1
1 292 . 1 1 1 A 29 29 HIS CB C 29 28.686 29.583 -0.897 1
1 295 . 1 1 1 A 29 29 HIS N N 29 120.367 120.437 -0.070 1
1 296 . 1 1 1 A 30 30 GLU H H 30 8.691 8.725 -0.034 1
1 297 . 1 1 1 A 30 30 GLU HA H 30 3.695 3.961 -0.266 1
1 302 . 1 1 1 A 30 30 GLU C C 30 178.190 179.287 -1.097 1
1 303 . 1 1 1 A 30 30 GLU CA C 30 60.106 60.099 0.007 1
1 304 . 1 1 1 A 30 30 GLU CB C 30 29.866 29.211 0.655 1
1 306 . 1 1 1 A 30 30 GLU N N 30 116.137 117.394 -1.257 1
1 307 . 1 1 1 A 31 31 ARG H H 31 7.138 7.932 -0.794 1
1 308 . 1 1 1 A 31 31 ARG HA H 31 4.178 4.257 -0.079 1
1 315 . 1 1 1 A 31 31 ARG C C 31 178.912 178.997 -0.085 1
1 316 . 1 1 1 A 31 31 ARG CA C 31 58.400 58.974 -0.574 1
1 317 . 1 1 1 A 31 31 ARG CB C 31 30.069 29.893 0.176 1
1 320 . 1 1 1 A 31 31 ARG N N 31 116.943 119.932 -2.989 1
1 321 . 1 1 1 A 32 32 ILE H H 32 7.978 7.824 0.154 1
1 322 . 1 1 1 A 32 32 ILE HA H 32 3.935 3.669 0.266 1
1 332 . 1 1 1 A 32 32 ILE C C 32 177.623 177.491 0.132 1
1 333 . 1 1 1 A 32 32 ILE CA C 32 63.351 64.206 -0.855 1
1 334 . 1 1 1 A 32 32 ILE CB C 32 37.667 37.217 0.450 1
1 338 . 1 1 1 A 32 32 ILE N N 32 117.036 117.794 -0.758 1
1 339 . 1 1 1 A 33 33 HIS H H 33 7.209 7.284 -0.075 1
1 340 . 1 1 1 A 33 33 HIS HA H 33 4.820 4.445 0.375 1
1 345 . 1 1 1 A 33 33 HIS C C 33 175.937 178.167 -2.230 1
1 346 . 1 1 1 A 33 33 HIS CA C 33 55.352 59.028 -3.676 1
1 347 . 1 1 1 A 33 33 HIS CB C 33 28.527 30.815 -2.288 1
1 350 . 1 1 1 A 33 33 HIS N N 33 117.235 120.734 -3.499 1
1 351 . 1 1 1 A 34 34 THR H H 34 7.749 7.913 -0.164 1
1 352 . 1 1 1 A 34 34 THR HA H 34 4.369 4.114 0.255 1
1 357 . 1 1 1 A 34 34 THR C C 34 175.653 175.003 0.650 1
1 358 . 1 1 1 A 34 34 THR CA C 34 62.438 64.304 -1.866 1
1 359 . 1 1 1 A 34 34 THR CB C 34 69.975 69.053 0.922 1
1 361 . 1 1 1 A 34 34 THR N N 34 110.763 111.783 -1.020 1
1 362 . 1 1 1 A 35 35 GLY H H 35 8.174 7.115 1.059 1
1 363 . 1 1 1 A 35 35 GLY HA2 H 35 4.059 4.010 0.049 1
1 364 . 1 1 1 A 35 35 GLY HA3 H 35 3.950 4.013 -0.063 1
1 365 . 1 1 1 A 35 35 GLY C C 35 174.334 171.743 2.591 1
1 366 . 1 1 1 A 35 35 GLY CA C 35 45.450 45.906 -0.456 1
1 367 . 1 1 1 A 35 35 GLY N N 35 110.516 108.391 2.125 1
1 368 . 1 1 1 A 36 36 GLU H H 36 8.130 8.736 -0.606 1
1 369 . 1 1 1 A 36 36 GLU HA H 36 4.311 4.564 -0.253 1
1 374 . 1 1 1 A 36 36 GLU C C 36 176.510 176.500 0.010 1
1 375 . 1 1 1 A 36 36 GLU CA C 36 56.629 54.760 1.869 1
1 376 . 1 1 1 A 36 36 GLU CB C 36 30.535 30.963 -0.428 1
1 378 . 1 1 1 A 36 36 GLU N N 36 120.680 124.999 -4.319 1
1 379 . 1 1 1 A 37 37 SER H H 37 8.391 8.581 -0.190 1
1 380 . 1 1 1 A 37 37 SER HA H 37 4.481 4.152 0.329 1
1 383 . 1 1 1 A 37 37 SER C C 37 174.576 173.676 0.900 1
1 384 . 1 1 1 A 37 37 SER CA C 37 58.300 58.971 -0.671 1
1 385 . 1 1 1 A 37 37 SER CB C 37 63.990 60.971 3.019 1
1 386 . 1 1 1 A 37 37 SER N N 37 116.733 121.211 -4.478 1
1 387 . 1 1 1 A 38 38 GLY H H 38 8.240 8.345 -0.105 1
1 388 . 1 1 1 A 38 38 GLY HA2 H 38 4.158 4.022 0.136 1
1 389 . 1 1 1 A 38 38 GLY HA3 H 38 4.064 4.022 0.042 1
1 390 . 1 1 1 A 38 38 GLY C C 38 171.698 173.000 -1.302 1
1 391 . 1 1 1 A 38 38 GLY CA C 38 44.560 44.444 0.116 1
1 392 . 1 1 1 A 38 38 GLY N N 38 110.538 110.370 0.168 1
1 393 . 1 1 1 A 39 39 PRO HA H 39 4.474 4.569 -0.095 1
1 400 . 1 1 1 A 39 39 PRO C C 39 177.358 177.616 -0.258 1
1 401 . 1 1 1 A 39 39 PRO CA C 39 63.172 62.941 0.231 1
1 402 . 1 1 1 A 39 39 PRO CB C 39 32.197 31.662 0.535 1
1 405 . 1 1 1 A 40 40 SER H H 40 8.542 8.727 -0.185 1
1 406 . 1 1 1 A 40 40 SER C C 40 174.651 175.365 -0.714 1
1 407 . 1 1 1 A 40 40 SER CA C 40 58.452 61.459 -3.007 1
1 408 . 1 1 1 A 40 40 SER CB C 40 63.972 63.022 0.950 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.956 4.017 -0.061 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.956 4.021 -0.065 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.066 172.928 1.138 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.322 45.425 -0.103 1
1 5 . 2 1 1 A 8 8 GLN H H 8 8.173 8.364 -0.191 1
1 6 . 2 1 1 A 8 8 GLN HA H 8 4.244 4.907 -0.663 1
1 13 . 2 1 1 A 8 8 GLN C C 8 176.010 175.370 0.640 1
1 14 . 2 1 1 A 8 8 GLN CA C 8 56.057 55.199 0.858 1
1 15 . 2 1 1 A 8 8 GLN CB C 8 29.452 29.477 -0.025 1
1 17 . 2 1 1 A 8 8 GLN N N 8 119.348 118.148 1.200 1
1 19 . 2 1 1 A 9 9 LYS H H 9 8.307 8.542 -0.235 1
1 20 . 2 1 1 A 9 9 LYS HA H 9 4.522 5.045 -0.523 1
1 29 . 2 1 1 A 9 9 LYS C C 9 173.766 175.313 -1.547 1
1 30 . 2 1 1 A 9 9 LYS CA C 9 53.843 53.351 0.492 1
1 31 . 2 1 1 A 9 9 LYS CB C 9 33.164 33.387 -0.223 1
1 35 . 2 1 1 A 9 9 LYS N N 9 122.358 124.517 -2.159 1
1 36 . 2 1 1 A 10 10 PRO HA H 10 4.279 4.360 -0.081 1
1 43 . 2 1 1 A 10 10 PRO C C 10 176.401 175.956 0.445 1
1 44 . 2 1 1 A 10 10 PRO CA C 10 63.416 64.900 -1.484 1
1 45 . 2 1 1 A 10 10 PRO CB C 10 32.288 31.784 0.504 1
1 48 . 2 1 1 A 11 11 TYR H H 11 7.923 7.934 -0.011 1
1 49 . 2 1 1 A 11 11 TYR HA H 11 4.623 4.679 -0.056 1
1 56 . 2 1 1 A 11 11 TYR C C 11 174.286 175.623 -1.337 1
1 57 . 2 1 1 A 11 11 TYR CA C 11 57.971 57.611 0.360 1
1 58 . 2 1 1 A 11 11 TYR CB C 11 38.024 37.632 0.392 1
1 63 . 2 1 1 A 11 11 TYR N N 11 119.366 117.884 1.482 1
1 64 . 2 1 1 A 12 12 VAL H H 12 8.401 8.606 -0.205 1
1 65 . 2 1 1 A 12 12 VAL HA H 12 4.579 4.848 -0.269 1
1 73 . 2 1 1 A 12 12 VAL C C 12 175.233 175.284 -0.051 1
1 74 . 2 1 1 A 12 12 VAL CA C 12 61.292 60.740 0.552 1
1 75 . 2 1 1 A 12 12 VAL CB C 12 34.524 34.479 0.045 1
1 78 . 2 1 1 A 12 12 VAL N N 12 125.266 124.423 0.843 1
1 79 . 2 1 1 A 13 13 CYS H H 13 9.209 9.308 -0.099 1
1 80 . 2 1 1 A 13 13 CYS HA H 13 4.594 4.615 -0.021 1
1 83 . 2 1 1 A 13 13 CYS C C 13 177.334 175.857 1.477 1
1 84 . 2 1 1 A 13 13 CYS CA C 13 59.708 59.697 0.011 1
1 85 . 2 1 1 A 13 13 CYS CB C 13 29.650 28.343 1.307 1
1 86 . 2 1 1 A 13 13 CYS N N 13 129.222 127.593 1.629 1
1 87 . 2 1 1 A 14 14 ASN H H 14 9.507 9.042 0.465 1
1 88 . 2 1 1 A 14 14 ASN HA H 14 4.511 4.737 -0.226 1
1 93 . 2 1 1 A 14 14 ASN C C 14 175.327 176.016 -0.689 1
1 94 . 2 1 1 A 14 14 ASN CA C 14 55.760 54.899 0.861 1
1 95 . 2 1 1 A 14 14 ASN CB C 14 38.946 38.409 0.537 1
1 96 . 2 1 1 A 14 14 ASN N N 14 130.952 126.544 4.408 1
1 98 . 2 1 1 A 15 15 GLU H H 15 8.759 7.937 0.822 1
1 99 . 2 1 1 A 15 15 GLU HA H 15 4.236 4.123 0.113 1
1 104 . 2 1 1 A 15 15 GLU C C 15 177.222 177.947 -0.725 1
1 105 . 2 1 1 A 15 15 GLU CA C 15 58.127 58.066 0.061 1
1 106 . 2 1 1 A 15 15 GLU CB C 15 29.464 29.879 -0.415 1
1 108 . 2 1 1 A 15 15 GLU N N 15 120.367 117.545 2.822 1
1 109 . 2 1 1 A 16 16 CYS H H 16 8.075 8.086 -0.011 1
1 110 . 2 1 1 A 16 16 CYS HA H 16 5.189 4.695 0.494 1
1 113 . 2 1 1 A 16 16 CYS C C 16 176.487 175.605 0.882 1
1 114 . 2 1 1 A 16 16 CYS CA C 16 58.273 59.353 -1.080 1
1 115 . 2 1 1 A 16 16 CYS CB C 16 32.589 30.311 2.278 1
1 116 . 2 1 1 A 16 16 CYS N N 16 115.028 115.202 -0.174 1
1 117 . 2 1 1 A 17 17 GLY H H 17 8.119 8.253 -0.134 1
1 118 . 2 1 1 A 17 17 GLY HA2 H 17 3.740 4.057 -0.317 1
1 119 . 2 1 1 A 17 17 GLY HA3 H 17 4.184 4.071 0.113 1
1 120 . 2 1 1 A 17 17 GLY C C 17 173.579 174.544 -0.965 1
1 121 . 2 1 1 A 17 17 GLY CA C 17 46.154 45.203 0.951 1
1 122 . 2 1 1 A 17 17 GLY N N 17 113.446 110.279 3.167 1
1 123 . 2 1 1 A 18 18 LYS H H 18 7.999 7.657 0.342 1
1 124 . 2 1 1 A 18 18 LYS HA H 18 3.902 4.272 -0.370 1
1 133 . 2 1 1 A 18 18 LYS C C 18 173.431 176.149 -2.718 1
1 134 . 2 1 1 A 18 18 LYS CA C 18 58.308 55.552 2.756 1
1 135 . 2 1 1 A 18 18 LYS CB C 18 33.373 33.289 0.084 1
1 139 . 2 1 1 A 18 18 LYS N N 18 123.594 122.569 1.025 1
1 140 . 2 1 1 A 19 19 ALA H H 19 7.690 8.553 -0.863 1
1 141 . 2 1 1 A 19 19 ALA HA H 19 5.156 5.692 -0.536 1
1 145 . 2 1 1 A 19 19 ALA C C 19 176.397 176.121 0.276 1
1 146 . 2 1 1 A 19 19 ALA CA C 19 50.116 50.474 -0.358 1
1 147 . 2 1 1 A 19 19 ALA CB C 19 22.761 21.544 1.217 1
1 148 . 2 1 1 A 19 19 ALA N N 19 124.433 128.755 -4.322 1
1 149 . 2 1 1 A 20 20 PHE H H 20 8.988 9.306 -0.318 1
1 150 . 2 1 1 A 20 20 PHE HA H 20 4.671 4.999 -0.328 1
1 158 . 2 1 1 A 20 20 PHE C C 20 175.608 176.638 -1.030 1
1 159 . 2 1 1 A 20 20 PHE CA C 20 57.288 56.195 1.093 1
1 160 . 2 1 1 A 20 20 PHE CB C 20 43.643 40.873 2.770 1
1 166 . 2 1 1 A 20 20 PHE N N 20 117.426 117.721 -0.295 1
1 167 . 2 1 1 A 21 21 GLY H H 21 9.144 8.796 0.348 1
1 168 . 2 1 1 A 21 21 GLY HA2 H 21 4.066 3.932 0.134 1
1 169 . 2 1 1 A 21 21 GLY HA3 H 21 4.380 3.988 0.392 1
1 170 . 2 1 1 A 21 21 GLY C C 21 173.415 174.365 -0.950 1
1 171 . 2 1 1 A 21 21 GLY CA C 21 46.269 47.379 -1.110 1
1 172 . 2 1 1 A 21 21 GLY N N 21 108.353 110.938 -2.585 1
1 173 . 2 1 1 A 22 22 LEU H H 22 7.492 7.880 -0.388 1
1 174 . 2 1 1 A 22 22 LEU HA H 22 4.888 4.842 0.046 1
1 184 . 2 1 1 A 22 22 LEU C C 22 176.995 176.613 0.382 1
1 185 . 2 1 1 A 22 22 LEU CA C 22 53.043 53.184 -0.141 1
1 186 . 2 1 1 A 22 22 LEU CB C 22 45.693 44.431 1.262 1
1 190 . 2 1 1 A 22 22 LEU N N 22 117.179 120.892 -3.713 1
1 191 . 2 1 1 A 23 23 LYS H H 23 8.346 8.453 -0.107 1
1 192 . 2 1 1 A 23 23 LYS HA H 23 3.000 2.453 0.547 1
1 201 . 2 1 1 A 23 23 LYS C C 23 178.113 177.782 0.331 1
1 202 . 2 1 1 A 23 23 LYS CA C 23 59.056 58.773 0.283 1
1 203 . 2 1 1 A 23 23 LYS CB C 23 31.452 31.914 -0.462 1
1 207 . 2 1 1 A 23 23 LYS N N 23 127.252 123.027 4.225 1
1 208 . 2 1 1 A 24 24 SER H H 24 8.360 8.276 0.084 1
1 209 . 2 1 1 A 24 24 SER HA H 24 3.865 4.117 -0.252 1
1 212 . 2 1 1 A 24 24 SER C C 24 176.854 177.118 -0.264 1
1 213 . 2 1 1 A 24 24 SER CA C 24 60.651 61.239 -0.588 1
1 214 . 2 1 1 A 24 24 SER CB C 24 61.315 62.561 -1.246 1
1 215 . 2 1 1 A 24 24 SER N N 24 111.653 114.506 -2.853 1
1 216 . 2 1 1 A 25 25 GLN H H 25 6.647 8.145 -1.498 1
1 217 . 2 1 1 A 25 25 GLN HA H 25 3.895 3.932 -0.037 1
1 224 . 2 1 1 A 25 25 GLN C C 25 178.428 177.910 0.518 1
1 225 . 2 1 1 A 25 25 GLN CA C 25 57.613 58.880 -1.267 1
1 226 . 2 1 1 A 25 25 GLN CB C 25 28.573 28.328 0.245 1
1 228 . 2 1 1 A 25 25 GLN N N 25 119.141 121.268 -2.127 1
1 230 . 2 1 1 A 26 26 LEU H H 26 6.992 7.570 -0.578 1
1 231 . 2 1 1 A 26 26 LEU HA H 26 3.324 2.802 0.522 1
1 241 . 2 1 1 A 26 26 LEU C C 26 177.103 178.275 -1.172 1
1 242 . 2 1 1 A 26 26 LEU CA C 26 57.854 57.141 0.713 1
1 243 . 2 1 1 A 26 26 LEU CB C 26 40.350 41.489 -1.139 1
1 247 . 2 1 1 A 26 26 LEU N N 26 122.365 120.015 2.350 1
1 248 . 2 1 1 A 27 27 ILE H H 27 7.971 7.797 0.174 1
1 249 . 2 1 1 A 27 27 ILE HA H 27 3.725 3.664 0.061 1
1 259 . 2 1 1 A 27 27 ILE C C 27 178.803 178.124 0.679 1
1 260 . 2 1 1 A 27 27 ILE CA C 27 64.616 65.377 -0.761 1
1 261 . 2 1 1 A 27 27 ILE CB C 27 37.833 37.848 -0.015 1
1 265 . 2 1 1 A 27 27 ILE N N 27 118.447 119.691 -1.244 1
1 266 . 2 1 1 A 28 28 ILE H H 28 7.047 8.039 -0.992 1
1 267 . 2 1 1 A 28 28 ILE HA H 28 3.572 3.680 -0.108 1
1 277 . 2 1 1 A 28 28 ILE C C 28 178.591 178.428 0.163 1
1 278 . 2 1 1 A 28 28 ILE CA C 28 64.607 64.466 0.141 1
1 279 . 2 1 1 A 28 28 ILE CB C 28 38.385 36.971 1.414 1
1 283 . 2 1 1 A 28 28 ILE N N 28 118.309 120.535 -2.226 1
1 284 . 2 1 1 A 29 29 HIS H H 29 7.575 7.823 -0.248 1
1 285 . 2 1 1 A 29 29 HIS HA H 29 4.116 4.203 -0.087 1
1 290 . 2 1 1 A 29 29 HIS C C 29 176.399 177.384 -0.985 1
1 291 . 2 1 1 A 29 29 HIS CA C 29 59.638 59.710 -0.072 1
1 292 . 2 1 1 A 29 29 HIS CB C 29 28.686 29.707 -1.021 1
1 295 . 2 1 1 A 29 29 HIS N N 29 120.367 120.426 -0.059 1
1 296 . 2 1 1 A 30 30 GLU H H 30 8.691 8.789 -0.098 1
1 297 . 2 1 1 A 30 30 GLU HA H 30 3.695 3.991 -0.296 1
1 302 . 2 1 1 A 30 30 GLU C C 30 178.190 179.250 -1.060 1
1 303 . 2 1 1 A 30 30 GLU CA C 30 60.106 59.957 0.149 1
1 304 . 2 1 1 A 30 30 GLU CB C 30 29.866 29.168 0.698 1
1 306 . 2 1 1 A 30 30 GLU N N 30 116.137 117.608 -1.471 1
1 307 . 2 1 1 A 31 31 ARG H H 31 7.138 7.909 -0.771 1
1 308 . 2 1 1 A 31 31 ARG HA H 31 4.178 4.244 -0.066 1
1 315 . 2 1 1 A 31 31 ARG C C 31 178.912 178.974 -0.062 1
1 316 . 2 1 1 A 31 31 ARG CA C 31 58.400 58.750 -0.350 1
1 317 . 2 1 1 A 31 31 ARG CB C 31 30.069 29.857 0.212 1
1 320 . 2 1 1 A 31 31 ARG N N 31 116.943 119.520 -2.577 1
1 321 . 2 1 1 A 32 32 ILE H H 32 7.978 7.593 0.385 1
1 322 . 2 1 1 A 32 32 ILE HA H 32 3.935 4.064 -0.129 1
1 332 . 2 1 1 A 32 32 ILE C C 32 177.623 177.626 -0.003 1
1 333 . 2 1 1 A 32 32 ILE CA C 32 63.351 64.181 -0.830 1
1 334 . 2 1 1 A 32 32 ILE CB C 32 37.667 36.978 0.689 1
1 338 . 2 1 1 A 32 32 ILE N N 32 117.036 116.625 0.411 1
1 339 . 2 1 1 A 33 33 HIS H H 33 7.209 7.234 -0.025 1
1 340 . 2 1 1 A 33 33 HIS HA H 33 4.820 4.479 0.341 1
1 345 . 2 1 1 A 33 33 HIS C C 33 175.937 178.004 -2.067 1
1 346 . 2 1 1 A 33 33 HIS CA C 33 55.352 58.467 -3.115 1
1 347 . 2 1 1 A 33 33 HIS CB C 33 28.527 30.829 -2.302 1
1 350 . 2 1 1 A 33 33 HIS N N 33 117.235 120.838 -3.603 1
1 351 . 2 1 1 A 34 34 THR H H 34 7.749 8.418 -0.669 1
1 352 . 2 1 1 A 34 34 THR HA H 34 4.369 4.116 0.253 1
1 357 . 2 1 1 A 34 34 THR C C 34 175.653 175.530 0.123 1
1 358 . 2 1 1 A 34 34 THR CA C 34 62.438 65.182 -2.744 1
1 359 . 2 1 1 A 34 34 THR CB C 34 69.975 68.060 1.915 1
1 361 . 2 1 1 A 34 34 THR N N 34 110.763 113.583 -2.820 1
1 362 . 2 1 1 A 35 35 GLY H H 35 8.174 7.253 0.921 1
1 363 . 2 1 1 A 35 35 GLY HA2 H 35 4.059 4.064 -0.005 1
1 364 . 2 1 1 A 35 35 GLY HA3 H 35 3.950 4.073 -0.123 1
1 365 . 2 1 1 A 35 35 GLY C C 35 174.334 173.544 0.790 1
1 366 . 2 1 1 A 35 35 GLY CA C 35 45.450 45.967 -0.517 1
1 367 . 2 1 1 A 35 35 GLY N N 35 110.516 109.175 1.341 1
1 368 . 2 1 1 A 36 36 GLU H H 36 8.130 7.841 0.289 1
1 369 . 2 1 1 A 36 36 GLU HA H 36 4.311 4.825 -0.514 1
1 374 . 2 1 1 A 36 36 GLU C C 36 176.510 176.498 0.012 1
1 375 . 2 1 1 A 36 36 GLU CA C 36 56.629 54.316 2.313 1
1 376 . 2 1 1 A 36 36 GLU CB C 36 30.535 33.039 -2.504 1
1 378 . 2 1 1 A 36 36 GLU N N 36 120.680 118.351 2.329 1
1 379 . 2 1 1 A 37 37 SER H H 37 8.391 8.868 -0.477 1
1 380 . 2 1 1 A 37 37 SER HA H 37 4.481 4.114 0.367 1
1 383 . 2 1 1 A 37 37 SER C C 37 174.576 174.416 0.160 1
1 384 . 2 1 1 A 37 37 SER CA C 37 58.300 61.068 -2.768 1
1 385 . 2 1 1 A 37 37 SER CB C 37 63.990 63.717 0.273 1
1 386 . 2 1 1 A 37 37 SER N N 37 116.733 118.012 -1.279 1
1 387 . 2 1 1 A 38 38 GLY H H 38 8.240 7.562 0.678 1
1 388 . 2 1 1 A 38 38 GLY HA2 H 38 4.158 4.037 0.121 1
1 389 . 2 1 1 A 38 38 GLY HA3 H 38 4.064 4.044 0.020 1
1 390 . 2 1 1 A 38 38 GLY C C 38 171.698 174.363 -2.665 1
1 391 . 2 1 1 A 38 38 GLY CA C 38 44.560 44.990 -0.430 1
1 392 . 2 1 1 A 38 38 GLY N N 38 110.538 106.024 4.514 1
1 393 . 2 1 1 A 39 39 PRO HA H 39 4.474 4.338 0.136 1
1 400 . 2 1 1 A 39 39 PRO C C 39 177.358 177.758 -0.400 1
1 401 . 2 1 1 A 39 39 PRO CA C 39 63.172 64.904 -1.732 1
1 402 . 2 1 1 A 39 39 PRO CB C 39 32.197 31.773 0.424 1
1 405 . 2 1 1 A 40 40 SER H H 40 8.542 8.033 0.509 1
1 406 . 2 1 1 A 40 40 SER C C 40 174.651 174.659 -0.008 1
1 407 . 2 1 1 A 40 40 SER CA C 40 58.452 59.259 -0.807 1
1 408 . 2 1 1 A 40 40 SER CB C 40 63.972 61.613 2.359 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.956 4.076 -0.120 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.956 4.077 -0.121 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.066 172.908 1.158 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.322 44.603 0.719 1
1 5 . 3 1 1 A 8 8 GLN H H 8 8.173 8.248 -0.075 1
1 6 . 3 1 1 A 8 8 GLN HA H 8 4.244 4.769 -0.525 1
1 13 . 3 1 1 A 8 8 GLN C C 8 176.010 175.209 0.801 1
1 14 . 3 1 1 A 8 8 GLN CA C 8 56.057 55.425 0.632 1
1 15 . 3 1 1 A 8 8 GLN CB C 8 29.452 29.304 0.148 1
1 17 . 3 1 1 A 8 8 GLN N N 8 119.348 117.069 2.279 1
1 19 . 3 1 1 A 9 9 LYS H H 9 8.307 8.498 -0.191 1
1 20 . 3 1 1 A 9 9 LYS HA H 9 4.522 5.039 -0.517 1
1 29 . 3 1 1 A 9 9 LYS C C 9 173.766 175.316 -1.550 1
1 30 . 3 1 1 A 9 9 LYS CA C 9 53.843 53.368 0.475 1
1 31 . 3 1 1 A 9 9 LYS CB C 9 33.164 33.342 -0.178 1
1 35 . 3 1 1 A 9 9 LYS N N 9 122.358 124.600 -2.242 1
1 36 . 3 1 1 A 10 10 PRO HA H 10 4.279 4.295 -0.016 1
1 43 . 3 1 1 A 10 10 PRO C C 10 176.401 175.945 0.456 1
1 44 . 3 1 1 A 10 10 PRO CA C 10 63.416 64.961 -1.545 1
1 45 . 3 1 1 A 10 10 PRO CB C 10 32.288 31.771 0.517 1
1 48 . 3 1 1 A 11 11 TYR H H 11 7.923 7.893 0.030 1
1 49 . 3 1 1 A 11 11 TYR HA H 11 4.623 4.683 -0.060 1
1 56 . 3 1 1 A 11 11 TYR C C 11 174.286 175.874 -1.588 1
1 57 . 3 1 1 A 11 11 TYR CA C 11 57.971 57.789 0.182 1
1 58 . 3 1 1 A 11 11 TYR CB C 11 38.024 37.861 0.163 1
1 63 . 3 1 1 A 11 11 TYR N N 11 119.366 117.963 1.403 1
1 64 . 3 1 1 A 12 12 VAL H H 12 8.401 8.989 -0.588 1
1 65 . 3 1 1 A 12 12 VAL HA H 12 4.579 4.779 -0.200 1
1 73 . 3 1 1 A 12 12 VAL C C 12 175.233 175.638 -0.405 1
1 74 . 3 1 1 A 12 12 VAL CA C 12 61.292 60.792 0.500 1
1 75 . 3 1 1 A 12 12 VAL CB C 12 34.524 34.415 0.109 1
1 78 . 3 1 1 A 12 12 VAL N N 12 125.266 124.390 0.876 1
1 79 . 3 1 1 A 13 13 CYS H H 13 9.209 9.387 -0.178 1
1 80 . 3 1 1 A 13 13 CYS HA H 13 4.594 4.519 0.075 1
1 83 . 3 1 1 A 13 13 CYS C C 13 177.334 175.622 1.712 1
1 84 . 3 1 1 A 13 13 CYS CA C 13 59.708 60.199 -0.491 1
1 85 . 3 1 1 A 13 13 CYS CB C 13 29.650 28.636 1.014 1
1 86 . 3 1 1 A 13 13 CYS N N 13 129.222 127.303 1.919 1
1 87 . 3 1 1 A 14 14 ASN H H 14 9.507 9.147 0.360 1
1 88 . 3 1 1 A 14 14 ASN HA H 14 4.511 4.974 -0.463 1
1 93 . 3 1 1 A 14 14 ASN C C 14 175.327 175.574 -0.247 1
1 94 . 3 1 1 A 14 14 ASN CA C 14 55.760 53.658 2.102 1
1 95 . 3 1 1 A 14 14 ASN CB C 14 38.946 38.766 0.180 1
1 96 . 3 1 1 A 14 14 ASN N N 14 130.952 126.212 4.740 1
1 98 . 3 1 1 A 15 15 GLU H H 15 8.759 7.953 0.806 1
1 99 . 3 1 1 A 15 15 GLU HA H 15 4.236 4.337 -0.101 1
1 104 . 3 1 1 A 15 15 GLU C C 15 177.222 178.013 -0.791 1
1 105 . 3 1 1 A 15 15 GLU CA C 15 58.127 57.192 0.935 1
1 106 . 3 1 1 A 15 15 GLU CB C 15 29.464 30.597 -1.133 1
1 108 . 3 1 1 A 15 15 GLU N N 15 120.367 117.363 3.004 1
1 109 . 3 1 1 A 16 16 CYS H H 16 8.075 8.193 -0.118 1
1 110 . 3 1 1 A 16 16 CYS HA H 16 5.189 4.701 0.488 1
1 113 . 3 1 1 A 16 16 CYS C C 16 176.487 175.668 0.819 1
1 114 . 3 1 1 A 16 16 CYS CA C 16 58.273 59.345 -1.072 1
1 115 . 3 1 1 A 16 16 CYS CB C 16 32.589 30.285 2.304 1
1 116 . 3 1 1 A 16 16 CYS N N 16 115.028 114.796 0.232 1
1 117 . 3 1 1 A 17 17 GLY H H 17 8.119 8.342 -0.223 1
1 118 . 3 1 1 A 17 17 GLY HA2 H 17 3.740 4.035 -0.295 1
1 119 . 3 1 1 A 17 17 GLY HA3 H 17 4.184 4.054 0.130 1
1 120 . 3 1 1 A 17 17 GLY C C 17 173.579 174.304 -0.725 1
1 121 . 3 1 1 A 17 17 GLY CA C 17 46.154 45.395 0.759 1
1 122 . 3 1 1 A 17 17 GLY N N 17 113.446 110.443 3.003 1
1 123 . 3 1 1 A 18 18 LYS H H 18 7.999 7.632 0.367 1
1 124 . 3 1 1 A 18 18 LYS HA H 18 3.902 4.333 -0.431 1
1 133 . 3 1 1 A 18 18 LYS C C 18 173.431 175.950 -2.519 1
1 134 . 3 1 1 A 18 18 LYS CA C 18 58.308 55.518 2.790 1
1 135 . 3 1 1 A 18 18 LYS CB C 18 33.373 33.160 0.213 1
1 139 . 3 1 1 A 18 18 LYS N N 18 123.594 122.033 1.561 1
1 140 . 3 1 1 A 19 19 ALA H H 19 7.690 8.501 -0.811 1
1 141 . 3 1 1 A 19 19 ALA HA H 19 5.156 5.607 -0.451 1
1 145 . 3 1 1 A 19 19 ALA C C 19 176.397 176.431 -0.034 1
1 146 . 3 1 1 A 19 19 ALA CA C 19 50.116 51.000 -0.884 1
1 147 . 3 1 1 A 19 19 ALA CB C 19 22.761 21.239 1.522 1
1 148 . 3 1 1 A 19 19 ALA N N 19 124.433 128.919 -4.486 1
1 149 . 3 1 1 A 20 20 PHE H H 20 8.988 9.287 -0.299 1
1 150 . 3 1 1 A 20 20 PHE HA H 20 4.671 4.896 -0.225 1
1 158 . 3 1 1 A 20 20 PHE C C 20 175.608 176.650 -1.042 1
1 159 . 3 1 1 A 20 20 PHE CA C 20 57.288 56.106 1.182 1
1 160 . 3 1 1 A 20 20 PHE CB C 20 43.643 40.944 2.699 1
1 166 . 3 1 1 A 20 20 PHE N N 20 117.426 117.540 -0.114 1
1 167 . 3 1 1 A 21 21 GLY H H 21 9.144 8.799 0.345 1
1 168 . 3 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 3 1 1 A 21 21 GLY HA3 H 21 4.380 3.986 0.394 1
1 170 . 3 1 1 A 21 21 GLY C C 21 173.415 174.364 -0.949 1
1 171 . 3 1 1 A 21 21 GLY CA C 21 46.269 47.451 -1.182 1
1 172 . 3 1 1 A 21 21 GLY N N 21 108.353 110.933 -2.580 1
1 173 . 3 1 1 A 22 22 LEU H H 22 7.492 7.860 -0.368 1
1 174 . 3 1 1 A 22 22 LEU HA H 22 4.888 4.829 0.059 1
1 184 . 3 1 1 A 22 22 LEU C C 22 176.995 176.686 0.309 1
1 185 . 3 1 1 A 22 22 LEU CA C 22 53.043 53.184 -0.141 1
1 186 . 3 1 1 A 22 22 LEU CB C 22 45.693 44.370 1.323 1
1 190 . 3 1 1 A 22 22 LEU N N 22 117.179 120.666 -3.487 1
1 191 . 3 1 1 A 23 23 LYS H H 23 8.346 8.437 -0.091 1
1 192 . 3 1 1 A 23 23 LYS HA H 23 3.000 2.501 0.499 1
1 201 . 3 1 1 A 23 23 LYS C C 23 178.113 177.928 0.185 1
1 202 . 3 1 1 A 23 23 LYS CA C 23 59.056 58.638 0.418 1
1 203 . 3 1 1 A 23 23 LYS CB C 23 31.452 31.911 -0.459 1
1 207 . 3 1 1 A 23 23 LYS N N 23 127.252 122.896 4.356 1
1 208 . 3 1 1 A 24 24 SER H H 24 8.360 8.275 0.085 1
1 209 . 3 1 1 A 24 24 SER HA H 24 3.865 4.118 -0.253 1
1 212 . 3 1 1 A 24 24 SER C C 24 176.854 177.141 -0.287 1
1 213 . 3 1 1 A 24 24 SER CA C 24 60.651 61.251 -0.600 1
1 214 . 3 1 1 A 24 24 SER CB C 24 61.315 62.559 -1.244 1
1 215 . 3 1 1 A 24 24 SER N N 24 111.653 114.515 -2.862 1
1 216 . 3 1 1 A 25 25 GLN H H 25 6.647 8.048 -1.401 1
1 217 . 3 1 1 A 25 25 GLN HA H 25 3.895 3.928 -0.033 1
1 224 . 3 1 1 A 25 25 GLN C C 25 178.428 177.528 0.900 1
1 225 . 3 1 1 A 25 25 GLN CA C 25 57.613 58.742 -1.129 1
1 226 . 3 1 1 A 25 25 GLN CB C 25 28.573 28.326 0.247 1
1 228 . 3 1 1 A 25 25 GLN N N 25 119.141 121.278 -2.137 1
1 230 . 3 1 1 A 26 26 LEU H H 26 6.992 7.581 -0.589 1
1 231 . 3 1 1 A 26 26 LEU HA H 26 3.324 2.818 0.506 1
1 241 . 3 1 1 A 26 26 LEU C C 26 177.103 178.292 -1.189 1
1 242 . 3 1 1 A 26 26 LEU CA C 26 57.854 56.977 0.877 1
1 243 . 3 1 1 A 26 26 LEU CB C 26 40.350 41.675 -1.325 1
1 247 . 3 1 1 A 26 26 LEU N N 26 122.365 120.241 2.124 1
1 248 . 3 1 1 A 27 27 ILE H H 27 7.971 7.746 0.225 1
1 249 . 3 1 1 A 27 27 ILE HA H 27 3.725 3.733 -0.008 1
1 259 . 3 1 1 A 27 27 ILE C C 27 178.803 177.972 0.831 1
1 260 . 3 1 1 A 27 27 ILE CA C 27 64.616 65.333 -0.717 1
1 261 . 3 1 1 A 27 27 ILE CB C 27 37.833 37.942 -0.109 1
1 265 . 3 1 1 A 27 27 ILE N N 27 118.447 119.721 -1.274 1
1 266 . 3 1 1 A 28 28 ILE H H 28 7.047 8.046 -0.999 1
1 267 . 3 1 1 A 28 28 ILE HA H 28 3.572 3.681 -0.109 1
1 277 . 3 1 1 A 28 28 ILE C C 28 178.591 178.329 0.262 1
1 278 . 3 1 1 A 28 28 ILE CA C 28 64.607 64.313 0.294 1
1 279 . 3 1 1 A 28 28 ILE CB C 28 38.385 36.753 1.632 1
1 283 . 3 1 1 A 28 28 ILE N N 28 118.309 120.576 -2.267 1
1 284 . 3 1 1 A 29 29 HIS H H 29 7.575 7.920 -0.345 1
1 285 . 3 1 1 A 29 29 HIS HA H 29 4.116 4.220 -0.104 1
1 290 . 3 1 1 A 29 29 HIS C C 29 176.399 177.367 -0.968 1
1 291 . 3 1 1 A 29 29 HIS CA C 29 59.638 59.495 0.143 1
1 292 . 3 1 1 A 29 29 HIS CB C 29 28.686 29.625 -0.939 1
1 295 . 3 1 1 A 29 29 HIS N N 29 120.367 120.404 -0.037 1
1 296 . 3 1 1 A 30 30 GLU H H 30 8.691 8.835 -0.144 1
1 297 . 3 1 1 A 30 30 GLU HA H 30 3.695 3.938 -0.243 1
1 302 . 3 1 1 A 30 30 GLU C C 30 178.190 179.171 -0.981 1
1 303 . 3 1 1 A 30 30 GLU CA C 30 60.106 59.887 0.219 1
1 304 . 3 1 1 A 30 30 GLU CB C 30 29.866 29.186 0.680 1
1 306 . 3 1 1 A 30 30 GLU N N 30 116.137 117.650 -1.513 1
1 307 . 3 1 1 A 31 31 ARG H H 31 7.138 7.899 -0.761 1
1 308 . 3 1 1 A 31 31 ARG HA H 31 4.178 4.029 0.149 1
1 315 . 3 1 1 A 31 31 ARG C C 31 178.912 179.046 -0.134 1
1 316 . 3 1 1 A 31 31 ARG CA C 31 58.400 58.715 -0.315 1
1 317 . 3 1 1 A 31 31 ARG CB C 31 30.069 29.839 0.230 1
1 320 . 3 1 1 A 31 31 ARG N N 31 116.943 119.574 -2.631 1
1 321 . 3 1 1 A 32 32 ILE H H 32 7.978 7.639 0.339 1
1 322 . 3 1 1 A 32 32 ILE HA H 32 3.935 3.695 0.240 1
1 332 . 3 1 1 A 32 32 ILE C C 32 177.623 177.625 -0.002 1
1 333 . 3 1 1 A 32 32 ILE CA C 32 63.351 63.914 -0.563 1
1 334 . 3 1 1 A 32 32 ILE CB C 32 37.667 36.969 0.698 1
1 338 . 3 1 1 A 32 32 ILE N N 32 117.036 116.813 0.223 1
1 339 . 3 1 1 A 33 33 HIS H H 33 7.209 7.107 0.102 1
1 340 . 3 1 1 A 33 33 HIS HA H 33 4.820 4.441 0.379 1
1 345 . 3 1 1 A 33 33 HIS C C 33 175.937 178.059 -2.122 1
1 346 . 3 1 1 A 33 33 HIS CA C 33 55.352 59.015 -3.663 1
1 347 . 3 1 1 A 33 33 HIS CB C 33 28.527 30.662 -2.135 1
1 350 . 3 1 1 A 33 33 HIS N N 33 117.235 120.802 -3.567 1
1 351 . 3 1 1 A 34 34 THR H H 34 7.749 8.327 -0.578 1
1 352 . 3 1 1 A 34 34 THR HA H 34 4.369 4.137 0.232 1
1 357 . 3 1 1 A 34 34 THR C C 34 175.653 176.927 -1.274 1
1 358 . 3 1 1 A 34 34 THR CA C 34 62.438 65.290 -2.852 1
1 359 . 3 1 1 A 34 34 THR CB C 34 69.975 68.237 1.738 1
1 361 . 3 1 1 A 34 34 THR N N 34 110.763 113.242 -2.479 1
1 362 . 3 1 1 A 35 35 GLY H H 35 8.174 7.904 0.270 1
1 363 . 3 1 1 A 35 35 GLY HA2 H 35 4.059 3.762 0.297 1
1 364 . 3 1 1 A 35 35 GLY HA3 H 35 3.950 3.772 0.178 1
1 365 . 3 1 1 A 35 35 GLY C C 35 174.334 175.548 -1.214 1
1 366 . 3 1 1 A 35 35 GLY CA C 35 45.450 47.004 -1.554 1
1 367 . 3 1 1 A 35 35 GLY N N 35 110.516 110.287 0.229 1
1 368 . 3 1 1 A 36 36 GLU H H 36 8.130 7.961 0.169 1
1 369 . 3 1 1 A 36 36 GLU HA H 36 4.311 4.043 0.268 1
1 374 . 3 1 1 A 36 36 GLU C C 36 176.510 177.200 -0.690 1
1 375 . 3 1 1 A 36 36 GLU CA C 36 56.629 59.495 -2.866 1
1 376 . 3 1 1 A 36 36 GLU CB C 36 30.535 29.665 0.870 1
1 378 . 3 1 1 A 36 36 GLU N N 36 120.680 122.251 -1.571 1
1 379 . 3 1 1 A 37 37 SER H H 37 8.391 7.567 0.824 1
1 380 . 3 1 1 A 37 37 SER HA H 37 4.481 4.332 0.149 1
1 383 . 3 1 1 A 37 37 SER C C 37 174.576 175.240 -0.664 1
1 384 . 3 1 1 A 37 37 SER CA C 37 58.300 59.963 -1.663 1
1 385 . 3 1 1 A 37 37 SER CB C 37 63.990 63.862 0.128 1
1 386 . 3 1 1 A 37 37 SER N N 37 116.733 115.968 0.765 1
1 387 . 3 1 1 A 38 38 GLY H H 38 8.240 8.579 -0.339 1
1 388 . 3 1 1 A 38 38 GLY HA2 H 38 4.158 4.041 0.117 1
1 389 . 3 1 1 A 38 38 GLY HA3 H 38 4.064 4.041 0.023 1
1 390 . 3 1 1 A 38 38 GLY C C 38 171.698 173.436 -1.738 1
1 391 . 3 1 1 A 38 38 GLY CA C 38 44.560 44.846 -0.286 1
1 392 . 3 1 1 A 38 38 GLY N N 38 110.538 111.695 -1.157 1
1 393 . 3 1 1 A 39 39 PRO HA H 39 4.474 4.693 -0.219 1
1 400 . 3 1 1 A 39 39 PRO C C 39 177.358 175.647 1.711 1
1 401 . 3 1 1 A 39 39 PRO CA C 39 63.172 62.707 0.465 1
1 402 . 3 1 1 A 39 39 PRO CB C 39 32.197 31.004 1.193 1
1 405 . 3 1 1 A 40 40 SER H H 40 8.542 7.685 0.857 1
1 406 . 3 1 1 A 40 40 SER C C 40 174.651 174.256 0.395 1
1 407 . 3 1 1 A 40 40 SER CA C 40 58.452 57.211 1.241 1
1 408 . 3 1 1 A 40 40 SER CB C 40 63.972 65.489 -1.517 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.956 4.145 -0.189 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.956 4.145 -0.189 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.066 173.569 0.497 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.322 45.318 0.004 1
1 5 . 4 1 1 A 8 8 GLN H H 8 8.173 8.546 -0.373 1
1 6 . 4 1 1 A 8 8 GLN HA H 8 4.244 4.291 -0.047 1
1 13 . 4 1 1 A 8 8 GLN C C 8 176.010 175.552 0.458 1
1 14 . 4 1 1 A 8 8 GLN CA C 8 56.057 56.143 -0.086 1
1 15 . 4 1 1 A 8 8 GLN CB C 8 29.452 29.220 0.232 1
1 17 . 4 1 1 A 8 8 GLN N N 8 119.348 123.308 -3.960 1
1 19 . 4 1 1 A 9 9 LYS H H 9 8.307 8.620 -0.313 1
1 20 . 4 1 1 A 9 9 LYS HA H 9 4.522 5.026 -0.504 1
1 29 . 4 1 1 A 9 9 LYS C C 9 173.766 175.782 -2.016 1
1 30 . 4 1 1 A 9 9 LYS CA C 9 53.843 53.101 0.742 1
1 31 . 4 1 1 A 9 9 LYS CB C 9 33.164 32.758 0.406 1
1 35 . 4 1 1 A 9 9 LYS N N 9 122.358 124.489 -2.131 1
1 36 . 4 1 1 A 10 10 PRO HA H 10 4.279 4.355 -0.076 1
1 43 . 4 1 1 A 10 10 PRO C C 10 176.401 175.947 0.454 1
1 44 . 4 1 1 A 10 10 PRO CA C 10 63.416 65.032 -1.616 1
1 45 . 4 1 1 A 10 10 PRO CB C 10 32.288 31.797 0.491 1
1 48 . 4 1 1 A 11 11 TYR H H 11 7.923 7.886 0.037 1
1 49 . 4 1 1 A 11 11 TYR HA H 11 4.623 4.701 -0.078 1
1 56 . 4 1 1 A 11 11 TYR C C 11 174.286 175.884 -1.598 1
1 57 . 4 1 1 A 11 11 TYR CA C 11 57.971 57.709 0.262 1
1 58 . 4 1 1 A 11 11 TYR CB C 11 38.024 37.891 0.133 1
1 63 . 4 1 1 A 11 11 TYR N N 11 119.366 117.903 1.463 1
1 64 . 4 1 1 A 12 12 VAL H H 12 8.401 9.022 -0.621 1
1 65 . 4 1 1 A 12 12 VAL HA H 12 4.579 4.872 -0.293 1
1 73 . 4 1 1 A 12 12 VAL C C 12 175.233 175.365 -0.132 1
1 74 . 4 1 1 A 12 12 VAL CA C 12 61.292 60.626 0.666 1
1 75 . 4 1 1 A 12 12 VAL CB C 12 34.524 34.614 -0.090 1
1 78 . 4 1 1 A 12 12 VAL N N 12 125.266 124.073 1.193 1
1 79 . 4 1 1 A 13 13 CYS H H 13 9.209 9.395 -0.186 1
1 80 . 4 1 1 A 13 13 CYS HA H 13 4.594 4.599 -0.005 1
1 83 . 4 1 1 A 13 13 CYS C C 13 177.334 175.714 1.620 1
1 84 . 4 1 1 A 13 13 CYS CA C 13 59.708 59.778 -0.070 1
1 85 . 4 1 1 A 13 13 CYS CB C 13 29.650 28.374 1.276 1
1 86 . 4 1 1 A 13 13 CYS N N 13 129.222 127.646 1.576 1
1 87 . 4 1 1 A 14 14 ASN H H 14 9.507 9.180 0.327 1
1 88 . 4 1 1 A 14 14 ASN HA H 14 4.511 4.791 -0.280 1
1 93 . 4 1 1 A 14 14 ASN C C 14 175.327 175.941 -0.614 1
1 94 . 4 1 1 A 14 14 ASN CA C 14 55.760 54.206 1.554 1
1 95 . 4 1 1 A 14 14 ASN CB C 14 38.946 38.786 0.160 1
1 96 . 4 1 1 A 14 14 ASN N N 14 130.952 126.255 4.697 1
1 98 . 4 1 1 A 15 15 GLU H H 15 8.759 7.966 0.793 1
1 99 . 4 1 1 A 15 15 GLU HA H 15 4.236 4.132 0.104 1
1 104 . 4 1 1 A 15 15 GLU C C 15 177.222 177.973 -0.751 1
1 105 . 4 1 1 A 15 15 GLU CA C 15 58.127 58.126 0.001 1
1 106 . 4 1 1 A 15 15 GLU CB C 15 29.464 29.977 -0.513 1
1 108 . 4 1 1 A 15 15 GLU N N 15 120.367 117.822 2.545 1
1 109 . 4 1 1 A 16 16 CYS H H 16 8.075 8.051 0.024 1
1 110 . 4 1 1 A 16 16 CYS HA H 16 5.189 4.699 0.490 1
1 113 . 4 1 1 A 16 16 CYS C C 16 176.487 175.616 0.871 1
1 114 . 4 1 1 A 16 16 CYS CA C 16 58.273 59.285 -1.012 1
1 115 . 4 1 1 A 16 16 CYS CB C 16 32.589 30.421 2.168 1
1 116 . 4 1 1 A 16 16 CYS N N 16 115.028 115.217 -0.189 1
1 117 . 4 1 1 A 17 17 GLY H H 17 8.119 8.300 -0.181 1
1 118 . 4 1 1 A 17 17 GLY HA2 H 17 3.740 4.064 -0.324 1
1 119 . 4 1 1 A 17 17 GLY HA3 H 17 4.184 4.082 0.102 1
1 120 . 4 1 1 A 17 17 GLY C C 17 173.579 174.496 -0.917 1
1 121 . 4 1 1 A 17 17 GLY CA C 17 46.154 45.150 1.004 1
1 122 . 4 1 1 A 17 17 GLY N N 17 113.446 110.291 3.155 1
1 123 . 4 1 1 A 18 18 LYS H H 18 7.999 7.623 0.376 1
1 124 . 4 1 1 A 18 18 LYS HA H 18 3.902 4.246 -0.344 1
1 133 . 4 1 1 A 18 18 LYS C C 18 173.431 176.146 -2.715 1
1 134 . 4 1 1 A 18 18 LYS CA C 18 58.308 55.554 2.754 1
1 135 . 4 1 1 A 18 18 LYS CB C 18 33.373 33.298 0.075 1
1 139 . 4 1 1 A 18 18 LYS N N 18 123.594 122.549 1.045 1
1 140 . 4 1 1 A 19 19 ALA H H 19 7.690 8.525 -0.835 1
1 141 . 4 1 1 A 19 19 ALA HA H 19 5.156 5.588 -0.432 1
1 145 . 4 1 1 A 19 19 ALA C C 19 176.397 176.070 0.327 1
1 146 . 4 1 1 A 19 19 ALA CA C 19 50.116 50.793 -0.677 1
1 147 . 4 1 1 A 19 19 ALA CB C 19 22.761 21.339 1.422 1
1 148 . 4 1 1 A 19 19 ALA N N 19 124.433 128.688 -4.255 1
1 149 . 4 1 1 A 20 20 PHE H H 20 8.988 9.291 -0.303 1
1 150 . 4 1 1 A 20 20 PHE HA H 20 4.671 4.925 -0.254 1
1 158 . 4 1 1 A 20 20 PHE C C 20 175.608 176.726 -1.118 1
1 159 . 4 1 1 A 20 20 PHE CA C 20 57.288 56.209 1.079 1
1 160 . 4 1 1 A 20 20 PHE CB C 20 43.643 40.953 2.690 1
1 166 . 4 1 1 A 20 20 PHE N N 20 117.426 117.656 -0.230 1
1 167 . 4 1 1 A 21 21 GLY H H 21 9.144 8.788 0.356 1
1 168 . 4 1 1 A 21 21 GLY HA2 H 21 4.066 3.933 0.133 1
1 169 . 4 1 1 A 21 21 GLY HA3 H 21 4.380 3.991 0.389 1
1 170 . 4 1 1 A 21 21 GLY C C 21 173.415 174.401 -0.986 1
1 171 . 4 1 1 A 21 21 GLY CA C 21 46.269 47.479 -1.210 1
1 172 . 4 1 1 A 21 21 GLY N N 21 108.353 110.816 -2.463 1
1 173 . 4 1 1 A 22 22 LEU H H 22 7.492 7.854 -0.362 1
1 174 . 4 1 1 A 22 22 LEU HA H 22 4.888 4.782 0.106 1
1 184 . 4 1 1 A 22 22 LEU C C 22 176.995 176.767 0.228 1
1 185 . 4 1 1 A 22 22 LEU CA C 22 53.043 53.105 -0.062 1
1 186 . 4 1 1 A 22 22 LEU CB C 22 45.693 44.331 1.362 1
1 190 . 4 1 1 A 22 22 LEU N N 22 117.179 120.735 -3.556 1
1 191 . 4 1 1 A 23 23 LYS H H 23 8.346 8.405 -0.059 1
1 192 . 4 1 1 A 23 23 LYS HA H 23 3.000 2.616 0.384 1
1 201 . 4 1 1 A 23 23 LYS C C 23 178.113 178.078 0.035 1
1 202 . 4 1 1 A 23 23 LYS CA C 23 59.056 58.673 0.383 1
1 203 . 4 1 1 A 23 23 LYS CB C 23 31.452 31.962 -0.510 1
1 207 . 4 1 1 A 23 23 LYS N N 23 127.252 123.310 3.942 1
1 208 . 4 1 1 A 24 24 SER H H 24 8.360 8.205 0.155 1
1 209 . 4 1 1 A 24 24 SER HA H 24 3.865 3.982 -0.117 1
1 212 . 4 1 1 A 24 24 SER C C 24 176.854 176.467 0.387 1
1 213 . 4 1 1 A 24 24 SER CA C 24 60.651 61.918 -1.267 1
1 214 . 4 1 1 A 24 24 SER CB C 24 61.315 63.038 -1.723 1
1 215 . 4 1 1 A 24 24 SER N N 24 111.653 115.450 -3.797 1
1 216 . 4 1 1 A 25 25 GLN H H 25 6.647 8.114 -1.467 1
1 217 . 4 1 1 A 25 25 GLN HA H 25 3.895 3.940 -0.045 1
1 224 . 4 1 1 A 25 25 GLN C C 25 178.428 177.671 0.757 1
1 225 . 4 1 1 A 25 25 GLN CA C 25 57.613 58.740 -1.127 1
1 226 . 4 1 1 A 25 25 GLN CB C 25 28.573 28.239 0.334 1
1 228 . 4 1 1 A 25 25 GLN N N 25 119.141 121.043 -1.902 1
1 230 . 4 1 1 A 26 26 LEU H H 26 6.992 7.617 -0.625 1
1 231 . 4 1 1 A 26 26 LEU HA H 26 3.324 2.746 0.578 1
1 241 . 4 1 1 A 26 26 LEU C C 26 177.103 178.415 -1.312 1
1 242 . 4 1 1 A 26 26 LEU CA C 26 57.854 56.926 0.928 1
1 243 . 4 1 1 A 26 26 LEU CB C 26 40.350 41.877 -1.527 1
1 247 . 4 1 1 A 26 26 LEU N N 26 122.365 120.120 2.245 1
1 248 . 4 1 1 A 27 27 ILE H H 27 7.971 7.730 0.241 1
1 249 . 4 1 1 A 27 27 ILE HA H 27 3.725 3.719 0.006 1
1 259 . 4 1 1 A 27 27 ILE C C 27 178.803 178.504 0.299 1
1 260 . 4 1 1 A 27 27 ILE CA C 27 64.616 65.170 -0.554 1
1 261 . 4 1 1 A 27 27 ILE CB C 27 37.833 37.672 0.161 1
1 265 . 4 1 1 A 27 27 ILE N N 27 118.447 118.958 -0.511 1
1 266 . 4 1 1 A 28 28 ILE H H 28 7.047 8.061 -1.014 1
1 267 . 4 1 1 A 28 28 ILE HA H 28 3.572 3.712 -0.140 1
1 277 . 4 1 1 A 28 28 ILE C C 28 178.591 178.334 0.257 1
1 278 . 4 1 1 A 28 28 ILE CA C 28 64.607 64.305 0.302 1
1 279 . 4 1 1 A 28 28 ILE CB C 28 38.385 36.756 1.629 1
1 283 . 4 1 1 A 28 28 ILE N N 28 118.309 121.271 -2.962 1
1 284 . 4 1 1 A 29 29 HIS H H 29 7.575 7.471 0.104 1
1 285 . 4 1 1 A 29 29 HIS HA H 29 4.116 4.246 -0.130 1
1 290 . 4 1 1 A 29 29 HIS C C 29 176.399 177.376 -0.977 1
1 291 . 4 1 1 A 29 29 HIS CA C 29 59.638 59.480 0.158 1
1 292 . 4 1 1 A 29 29 HIS CB C 29 28.686 29.636 -0.950 1
1 295 . 4 1 1 A 29 29 HIS N N 29 120.367 120.409 -0.042 1
1 296 . 4 1 1 A 30 30 GLU H H 30 8.691 8.778 -0.087 1
1 297 . 4 1 1 A 30 30 GLU HA H 30 3.695 3.970 -0.275 1
1 302 . 4 1 1 A 30 30 GLU C C 30 178.190 179.308 -1.118 1
1 303 . 4 1 1 A 30 30 GLU CA C 30 60.106 60.004 0.102 1
1 304 . 4 1 1 A 30 30 GLU CB C 30 29.866 29.165 0.701 1
1 306 . 4 1 1 A 30 30 GLU N N 30 116.137 117.596 -1.459 1
1 307 . 4 1 1 A 31 31 ARG H H 31 7.138 7.842 -0.704 1
1 308 . 4 1 1 A 31 31 ARG HA H 31 4.178 4.167 0.011 1
1 315 . 4 1 1 A 31 31 ARG C C 31 178.912 179.090 -0.178 1
1 316 . 4 1 1 A 31 31 ARG CA C 31 58.400 58.785 -0.385 1
1 317 . 4 1 1 A 31 31 ARG CB C 31 30.069 29.790 0.279 1
1 320 . 4 1 1 A 31 31 ARG N N 31 116.943 119.587 -2.644 1
1 321 . 4 1 1 A 32 32 ILE H H 32 7.978 7.745 0.233 1
1 322 . 4 1 1 A 32 32 ILE HA H 32 3.935 3.684 0.251 1
1 332 . 4 1 1 A 32 32 ILE C C 32 177.623 177.513 0.110 1
1 333 . 4 1 1 A 32 32 ILE CA C 32 63.351 64.042 -0.691 1
1 334 . 4 1 1 A 32 32 ILE CB C 32 37.667 37.058 0.609 1
1 338 . 4 1 1 A 32 32 ILE N N 32 117.036 117.172 -0.136 1
1 339 . 4 1 1 A 33 33 HIS H H 33 7.209 7.059 0.150 1
1 340 . 4 1 1 A 33 33 HIS HA H 33 4.820 4.442 0.378 1
1 345 . 4 1 1 A 33 33 HIS C C 33 175.937 177.917 -1.980 1
1 346 . 4 1 1 A 33 33 HIS CA C 33 55.352 58.990 -3.638 1
1 347 . 4 1 1 A 33 33 HIS CB C 33 28.527 30.755 -2.228 1
1 350 . 4 1 1 A 33 33 HIS N N 33 117.235 120.762 -3.527 1
1 351 . 4 1 1 A 34 34 THR H H 34 7.749 8.292 -0.543 1
1 352 . 4 1 1 A 34 34 THR HA H 34 4.369 4.145 0.224 1
1 357 . 4 1 1 A 34 34 THR C C 34 175.653 176.715 -1.062 1
1 358 . 4 1 1 A 34 34 THR CA C 34 62.438 65.299 -2.861 1
1 359 . 4 1 1 A 34 34 THR CB C 34 69.975 68.535 1.440 1
1 361 . 4 1 1 A 34 34 THR N N 34 110.763 113.510 -2.747 1
1 362 . 4 1 1 A 35 35 GLY H H 35 8.174 7.603 0.571 1
1 363 . 4 1 1 A 35 35 GLY HA2 H 35 4.059 3.789 0.270 1
1 364 . 4 1 1 A 35 35 GLY HA3 H 35 3.950 3.799 0.151 1
1 365 . 4 1 1 A 35 35 GLY C C 35 174.334 174.392 -0.058 1
1 366 . 4 1 1 A 35 35 GLY CA C 35 45.450 46.090 -0.640 1
1 367 . 4 1 1 A 35 35 GLY N N 35 110.516 111.043 -0.527 1
1 368 . 4 1 1 A 36 36 GLU H H 36 8.130 7.993 0.137 1
1 369 . 4 1 1 A 36 36 GLU HA H 36 4.311 4.338 -0.027 1
1 374 . 4 1 1 A 36 36 GLU C C 36 176.510 176.765 -0.255 1
1 375 . 4 1 1 A 36 36 GLU CA C 36 56.629 56.869 -0.240 1
1 376 . 4 1 1 A 36 36 GLU CB C 36 30.535 30.276 0.259 1
1 378 . 4 1 1 A 36 36 GLU N N 36 120.680 119.092 1.588 1
1 379 . 4 1 1 A 37 37 SER H H 37 8.391 8.922 -0.531 1
1 380 . 4 1 1 A 37 37 SER HA H 37 4.481 4.614 -0.133 1
1 383 . 4 1 1 A 37 37 SER C C 37 174.576 174.376 0.200 1
1 384 . 4 1 1 A 37 37 SER CA C 37 58.300 58.579 -0.279 1
1 385 . 4 1 1 A 37 37 SER CB C 37 63.990 64.852 -0.862 1
1 386 . 4 1 1 A 37 37 SER N N 37 116.733 114.077 2.656 1
1 387 . 4 1 1 A 38 38 GLY H H 38 8.240 7.916 0.324 1
1 388 . 4 1 1 A 38 38 GLY HA2 H 38 4.158 4.166 -0.008 1
1 389 . 4 1 1 A 38 38 GLY HA3 H 38 4.064 4.171 -0.107 1
1 390 . 4 1 1 A 38 38 GLY C C 38 171.698 173.675 -1.977 1
1 391 . 4 1 1 A 38 38 GLY CA C 38 44.560 44.447 0.113 1
1 392 . 4 1 1 A 38 38 GLY N N 38 110.538 109.136 1.402 1
1 393 . 4 1 1 A 39 39 PRO HA H 39 4.474 4.311 0.163 1
1 400 . 4 1 1 A 39 39 PRO C C 39 177.358 176.763 0.595 1
1 401 . 4 1 1 A 39 39 PRO CA C 39 63.172 62.714 0.458 1
1 402 . 4 1 1 A 39 39 PRO CB C 39 32.197 32.531 -0.334 1
1 405 . 4 1 1 A 40 40 SER H H 40 8.542 8.633 -0.091 1
1 406 . 4 1 1 A 40 40 SER C C 40 174.651 173.437 1.214 1
1 407 . 4 1 1 A 40 40 SER CA C 40 58.452 58.937 -0.485 1
1 408 . 4 1 1 A 40 40 SER CB C 40 63.972 61.655 2.317 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.956 4.067 -0.111 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.956 4.068 -0.112 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.066 173.094 0.972 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.322 43.926 1.396 1
1 5 . 5 1 1 A 8 8 GLN H H 8 8.173 8.309 -0.136 1
1 6 . 5 1 1 A 8 8 GLN HA H 8 4.244 4.784 -0.540 1
1 13 . 5 1 1 A 8 8 GLN C C 8 176.010 174.544 1.466 1
1 14 . 5 1 1 A 8 8 GLN CA C 8 56.057 55.026 1.031 1
1 15 . 5 1 1 A 8 8 GLN CB C 8 29.452 29.313 0.139 1
1 17 . 5 1 1 A 8 8 GLN N N 8 119.348 117.400 1.948 1
1 19 . 5 1 1 A 9 9 LYS H H 9 8.307 8.508 -0.201 1
1 20 . 5 1 1 A 9 9 LYS HA H 9 4.522 5.057 -0.535 1
1 29 . 5 1 1 A 9 9 LYS C C 9 173.766 175.785 -2.019 1
1 30 . 5 1 1 A 9 9 LYS CA C 9 53.843 52.989 0.854 1
1 31 . 5 1 1 A 9 9 LYS CB C 9 33.164 32.812 0.352 1
1 35 . 5 1 1 A 9 9 LYS N N 9 122.358 126.171 -3.813 1
1 36 . 5 1 1 A 10 10 PRO HA H 10 4.279 4.302 -0.023 1
1 43 . 5 1 1 A 10 10 PRO C C 10 176.401 175.962 0.439 1
1 44 . 5 1 1 A 10 10 PRO CA C 10 63.416 64.986 -1.570 1
1 45 . 5 1 1 A 10 10 PRO CB C 10 32.288 31.816 0.472 1
1 48 . 5 1 1 A 11 11 TYR H H 11 7.923 7.930 -0.007 1
1 49 . 5 1 1 A 11 11 TYR HA H 11 4.623 4.681 -0.058 1
1 56 . 5 1 1 A 11 11 TYR C C 11 174.286 175.697 -1.411 1
1 57 . 5 1 1 A 11 11 TYR CA C 11 57.971 57.619 0.352 1
1 58 . 5 1 1 A 11 11 TYR CB C 11 38.024 37.649 0.375 1
1 63 . 5 1 1 A 11 11 TYR N N 11 119.366 117.725 1.641 1
1 64 . 5 1 1 A 12 12 VAL H H 12 8.401 8.569 -0.168 1
1 65 . 5 1 1 A 12 12 VAL HA H 12 4.579 4.789 -0.210 1
1 73 . 5 1 1 A 12 12 VAL C C 12 175.233 175.751 -0.518 1
1 74 . 5 1 1 A 12 12 VAL CA C 12 61.292 60.743 0.549 1
1 75 . 5 1 1 A 12 12 VAL CB C 12 34.524 34.508 0.016 1
1 78 . 5 1 1 A 12 12 VAL N N 12 125.266 124.415 0.851 1
1 79 . 5 1 1 A 13 13 CYS H H 13 9.209 9.314 -0.105 1
1 80 . 5 1 1 A 13 13 CYS HA H 13 4.594 4.576 0.018 1
1 83 . 5 1 1 A 13 13 CYS C C 13 177.334 175.666 1.668 1
1 84 . 5 1 1 A 13 13 CYS CA C 13 59.708 59.916 -0.208 1
1 85 . 5 1 1 A 13 13 CYS CB C 13 29.650 28.598 1.052 1
1 86 . 5 1 1 A 13 13 CYS N N 13 129.222 127.788 1.434 1
1 87 . 5 1 1 A 14 14 ASN H H 14 9.507 9.180 0.327 1
1 88 . 5 1 1 A 14 14 ASN HA H 14 4.511 4.792 -0.281 1
1 93 . 5 1 1 A 14 14 ASN C C 14 175.327 175.939 -0.612 1
1 94 . 5 1 1 A 14 14 ASN CA C 14 55.760 54.138 1.622 1
1 95 . 5 1 1 A 14 14 ASN CB C 14 38.946 38.813 0.133 1
1 96 . 5 1 1 A 14 14 ASN N N 14 130.952 126.110 4.842 1
1 98 . 5 1 1 A 15 15 GLU H H 15 8.759 7.968 0.791 1
1 99 . 5 1 1 A 15 15 GLU HA H 15 4.236 4.159 0.077 1
1 104 . 5 1 1 A 15 15 GLU C C 15 177.222 177.963 -0.741 1
1 105 . 5 1 1 A 15 15 GLU CA C 15 58.127 58.061 0.066 1
1 106 . 5 1 1 A 15 15 GLU CB C 15 29.464 30.043 -0.579 1
1 108 . 5 1 1 A 15 15 GLU N N 15 120.367 117.621 2.746 1
1 109 . 5 1 1 A 16 16 CYS H H 16 8.075 8.040 0.035 1
1 110 . 5 1 1 A 16 16 CYS HA H 16 5.189 4.715 0.474 1
1 113 . 5 1 1 A 16 16 CYS C C 16 176.487 175.620 0.867 1
1 114 . 5 1 1 A 16 16 CYS CA C 16 58.273 59.279 -1.006 1
1 115 . 5 1 1 A 16 16 CYS CB C 16 32.589 30.424 2.165 1
1 116 . 5 1 1 A 16 16 CYS N N 16 115.028 114.945 0.083 1
1 117 . 5 1 1 A 17 17 GLY H H 17 8.119 8.304 -0.185 1
1 118 . 5 1 1 A 17 17 GLY HA2 H 17 3.740 4.052 -0.312 1
1 119 . 5 1 1 A 17 17 GLY HA3 H 17 4.184 4.069 0.115 1
1 120 . 5 1 1 A 17 17 GLY C C 17 173.579 174.425 -0.846 1
1 121 . 5 1 1 A 17 17 GLY CA C 17 46.154 45.225 0.929 1
1 122 . 5 1 1 A 17 17 GLY N N 17 113.446 110.301 3.145 1
1 123 . 5 1 1 A 18 18 LYS H H 18 7.999 7.627 0.372 1
1 124 . 5 1 1 A 18 18 LYS HA H 18 3.902 4.343 -0.441 1
1 133 . 5 1 1 A 18 18 LYS C C 18 173.431 175.906 -2.475 1
1 134 . 5 1 1 A 18 18 LYS CA C 18 58.308 55.654 2.654 1
1 135 . 5 1 1 A 18 18 LYS CB C 18 33.373 33.225 0.148 1
1 139 . 5 1 1 A 18 18 LYS N N 18 123.594 122.198 1.396 1
1 140 . 5 1 1 A 19 19 ALA H H 19 7.690 8.574 -0.884 1
1 141 . 5 1 1 A 19 19 ALA HA H 19 5.156 5.650 -0.494 1
1 145 . 5 1 1 A 19 19 ALA C C 19 176.397 176.203 0.194 1
1 146 . 5 1 1 A 19 19 ALA CA C 19 50.116 50.726 -0.610 1
1 147 . 5 1 1 A 19 19 ALA CB C 19 22.761 21.485 1.276 1
1 148 . 5 1 1 A 19 19 ALA N N 19 124.433 129.001 -4.568 1
1 149 . 5 1 1 A 20 20 PHE H H 20 8.988 9.260 -0.272 1
1 150 . 5 1 1 A 20 20 PHE HA H 20 4.671 4.898 -0.227 1
1 158 . 5 1 1 A 20 20 PHE C C 20 175.608 176.651 -1.043 1
1 159 . 5 1 1 A 20 20 PHE CA C 20 57.288 56.103 1.185 1
1 160 . 5 1 1 A 20 20 PHE CB C 20 43.643 40.944 2.699 1
1 166 . 5 1 1 A 20 20 PHE N N 20 117.426 117.313 0.113 1
1 167 . 5 1 1 A 21 21 GLY H H 21 9.144 8.790 0.354 1
1 168 . 5 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 5 1 1 A 21 21 GLY HA3 H 21 4.380 3.988 0.392 1
1 170 . 5 1 1 A 21 21 GLY C C 21 173.415 174.378 -0.963 1
1 171 . 5 1 1 A 21 21 GLY CA C 21 46.269 47.458 -1.189 1
1 172 . 5 1 1 A 21 21 GLY N N 21 108.353 111.142 -2.789 1
1 173 . 5 1 1 A 22 22 LEU H H 22 7.492 7.852 -0.360 1
1 174 . 5 1 1 A 22 22 LEU HA H 22 4.888 4.819 0.069 1
1 184 . 5 1 1 A 22 22 LEU C C 22 176.995 176.765 0.230 1
1 185 . 5 1 1 A 22 22 LEU CA C 22 53.043 53.104 -0.061 1
1 186 . 5 1 1 A 22 22 LEU CB C 22 45.693 44.247 1.446 1
1 190 . 5 1 1 A 22 22 LEU N N 22 117.179 120.735 -3.556 1
1 191 . 5 1 1 A 23 23 LYS H H 23 8.346 8.424 -0.078 1
1 192 . 5 1 1 A 23 23 LYS HA H 23 3.000 2.529 0.471 1
1 201 . 5 1 1 A 23 23 LYS C C 23 178.113 177.937 0.176 1
1 202 . 5 1 1 A 23 23 LYS CA C 23 59.056 58.732 0.324 1
1 203 . 5 1 1 A 23 23 LYS CB C 23 31.452 32.004 -0.552 1
1 207 . 5 1 1 A 23 23 LYS N N 23 127.252 123.124 4.128 1
1 208 . 5 1 1 A 24 24 SER H H 24 8.360 8.345 0.015 1
1 209 . 5 1 1 A 24 24 SER HA H 24 3.865 4.125 -0.260 1
1 212 . 5 1 1 A 24 24 SER C C 24 176.854 177.116 -0.262 1
1 213 . 5 1 1 A 24 24 SER CA C 24 60.651 61.293 -0.642 1
1 214 . 5 1 1 A 24 24 SER CB C 24 61.315 62.571 -1.256 1
1 215 . 5 1 1 A 24 24 SER N N 24 111.653 114.298 -2.645 1
1 216 . 5 1 1 A 25 25 GLN H H 25 6.647 8.167 -1.520 1
1 217 . 5 1 1 A 25 25 GLN HA H 25 3.895 3.900 -0.005 1
1 224 . 5 1 1 A 25 25 GLN C C 25 178.428 177.697 0.731 1
1 225 . 5 1 1 A 25 25 GLN CA C 25 57.613 58.856 -1.243 1
1 226 . 5 1 1 A 25 25 GLN CB C 25 28.573 28.224 0.349 1
1 228 . 5 1 1 A 25 25 GLN N N 25 119.141 121.283 -2.142 1
1 230 . 5 1 1 A 26 26 LEU H H 26 6.992 7.594 -0.602 1
1 231 . 5 1 1 A 26 26 LEU HA H 26 3.324 2.844 0.480 1
1 241 . 5 1 1 A 26 26 LEU C C 26 177.103 178.286 -1.183 1
1 242 . 5 1 1 A 26 26 LEU CA C 26 57.854 57.080 0.774 1
1 243 . 5 1 1 A 26 26 LEU CB C 26 40.350 41.654 -1.304 1
1 247 . 5 1 1 A 26 26 LEU N N 26 122.365 120.048 2.317 1
1 248 . 5 1 1 A 27 27 ILE H H 27 7.971 7.758 0.213 1
1 249 . 5 1 1 A 27 27 ILE HA H 27 3.725 3.760 -0.035 1
1 259 . 5 1 1 A 27 27 ILE C C 27 178.803 178.167 0.636 1
1 260 . 5 1 1 A 27 27 ILE CA C 27 64.616 65.331 -0.715 1
1 261 . 5 1 1 A 27 27 ILE CB C 27 37.833 37.785 0.048 1
1 265 . 5 1 1 A 27 27 ILE N N 27 118.447 119.252 -0.805 1
1 266 . 5 1 1 A 28 28 ILE H H 28 7.047 8.118 -1.071 1
1 267 . 5 1 1 A 28 28 ILE HA H 28 3.572 3.689 -0.117 1
1 277 . 5 1 1 A 28 28 ILE C C 28 178.591 178.428 0.163 1
1 278 . 5 1 1 A 28 28 ILE CA C 28 64.607 64.314 0.293 1
1 279 . 5 1 1 A 28 28 ILE CB C 28 38.385 36.771 1.614 1
1 283 . 5 1 1 A 28 28 ILE N N 28 118.309 120.814 -2.505 1
1 284 . 5 1 1 A 29 29 HIS H H 29 7.575 7.504 0.071 1
1 285 . 5 1 1 A 29 29 HIS HA H 29 4.116 4.216 -0.100 1
1 290 . 5 1 1 A 29 29 HIS C C 29 176.399 177.144 -0.745 1
1 291 . 5 1 1 A 29 29 HIS CA C 29 59.638 59.488 0.150 1
1 292 . 5 1 1 A 29 29 HIS CB C 29 28.686 29.593 -0.907 1
1 295 . 5 1 1 A 29 29 HIS N N 29 120.367 120.398 -0.031 1
1 296 . 5 1 1 A 30 30 GLU H H 30 8.691 8.716 -0.025 1
1 297 . 5 1 1 A 30 30 GLU HA H 30 3.695 3.992 -0.297 1
1 302 . 5 1 1 A 30 30 GLU C C 30 178.190 179.580 -1.390 1
1 303 . 5 1 1 A 30 30 GLU CA C 30 60.106 59.889 0.217 1
1 304 . 5 1 1 A 30 30 GLU CB C 30 29.866 29.293 0.573 1
1 306 . 5 1 1 A 30 30 GLU N N 30 116.137 117.153 -1.016 1
1 307 . 5 1 1 A 31 31 ARG H H 31 7.138 7.986 -0.848 1
1 308 . 5 1 1 A 31 31 ARG HA H 31 4.178 4.197 -0.019 1
1 315 . 5 1 1 A 31 31 ARG C C 31 178.912 178.946 -0.034 1
1 316 . 5 1 1 A 31 31 ARG CA C 31 58.400 59.001 -0.601 1
1 317 . 5 1 1 A 31 31 ARG CB C 31 30.069 29.866 0.203 1
1 320 . 5 1 1 A 31 31 ARG N N 31 116.943 119.641 -2.698 1
1 321 . 5 1 1 A 32 32 ILE H H 32 7.978 7.752 0.226 1
1 322 . 5 1 1 A 32 32 ILE HA H 32 3.935 3.662 0.273 1
1 332 . 5 1 1 A 32 32 ILE C C 32 177.623 177.545 0.078 1
1 333 . 5 1 1 A 32 32 ILE CA C 32 63.351 64.044 -0.693 1
1 334 . 5 1 1 A 32 32 ILE CB C 32 37.667 37.243 0.424 1
1 338 . 5 1 1 A 32 32 ILE N N 32 117.036 117.748 -0.712 1
1 339 . 5 1 1 A 33 33 HIS H H 33 7.209 7.189 0.020 1
1 340 . 5 1 1 A 33 33 HIS HA H 33 4.820 4.445 0.375 1
1 345 . 5 1 1 A 33 33 HIS C C 33 175.937 178.052 -2.115 1
1 346 . 5 1 1 A 33 33 HIS CA C 33 55.352 58.994 -3.642 1
1 347 . 5 1 1 A 33 33 HIS CB C 33 28.527 30.760 -2.233 1
1 350 . 5 1 1 A 33 33 HIS N N 33 117.235 120.785 -3.550 1
1 351 . 5 1 1 A 34 34 THR H H 34 7.749 8.190 -0.441 1
1 352 . 5 1 1 A 34 34 THR HA H 34 4.369 4.170 0.199 1
1 357 . 5 1 1 A 34 34 THR C C 34 175.653 175.179 0.474 1
1 358 . 5 1 1 A 34 34 THR CA C 34 62.438 65.010 -2.572 1
1 359 . 5 1 1 A 34 34 THR CB C 34 69.975 68.262 1.713 1
1 361 . 5 1 1 A 34 34 THR N N 34 110.763 113.170 -2.407 1
1 362 . 5 1 1 A 35 35 GLY H H 35 8.174 7.273 0.901 1
1 363 . 5 1 1 A 35 35 GLY HA2 H 35 4.059 4.159 -0.100 1
1 364 . 5 1 1 A 35 35 GLY HA3 H 35 3.950 4.169 -0.219 1
1 365 . 5 1 1 A 35 35 GLY C C 35 174.334 172.608 1.726 1
1 366 . 5 1 1 A 35 35 GLY CA C 35 45.450 44.872 0.578 1
1 367 . 5 1 1 A 35 35 GLY N N 35 110.516 108.253 2.263 1
1 368 . 5 1 1 A 36 36 GLU H H 36 8.130 8.860 -0.730 1
1 369 . 5 1 1 A 36 36 GLU HA H 36 4.311 4.676 -0.365 1
1 374 . 5 1 1 A 36 36 GLU C C 36 176.510 175.316 1.194 1
1 375 . 5 1 1 A 36 36 GLU CA C 36 56.629 56.686 -0.057 1
1 376 . 5 1 1 A 36 36 GLU CB C 36 30.535 30.756 -0.221 1
1 378 . 5 1 1 A 36 36 GLU N N 36 120.680 124.979 -4.299 1
1 379 . 5 1 1 A 37 37 SER H H 37 8.391 8.758 -0.367 1
1 380 . 5 1 1 A 37 37 SER HA H 37 4.481 5.048 -0.567 1
1 383 . 5 1 1 A 37 37 SER C C 37 174.576 173.289 1.287 1
1 384 . 5 1 1 A 37 37 SER CA C 37 58.300 56.605 1.695 1
1 385 . 5 1 1 A 37 37 SER CB C 37 63.990 66.063 -2.073 1
1 386 . 5 1 1 A 37 37 SER N N 37 116.733 120.671 -3.938 1
1 387 . 5 1 1 A 38 38 GLY H H 38 8.240 8.515 -0.275 1
1 388 . 5 1 1 A 38 38 GLY HA2 H 38 4.158 4.138 0.020 1
1 389 . 5 1 1 A 38 38 GLY HA3 H 38 4.064 4.139 -0.075 1
1 390 . 5 1 1 A 38 38 GLY C C 38 171.698 173.821 -2.123 1
1 391 . 5 1 1 A 38 38 GLY CA C 38 44.560 44.894 -0.334 1
1 392 . 5 1 1 A 38 38 GLY N N 38 110.538 111.653 -1.115 1
1 393 . 5 1 1 A 39 39 PRO HA H 39 4.474 4.409 0.065 1
1 400 . 5 1 1 A 39 39 PRO C C 39 177.358 176.434 0.924 1
1 401 . 5 1 1 A 39 39 PRO CA C 39 63.172 65.010 -1.838 1
1 402 . 5 1 1 A 39 39 PRO CB C 39 32.197 32.067 0.130 1
1 405 . 5 1 1 A 40 40 SER H H 40 8.542 8.245 0.297 1
1 406 . 5 1 1 A 40 40 SER C C 40 174.651 173.704 0.947 1
1 407 . 5 1 1 A 40 40 SER CA C 40 58.452 57.307 1.145 1
1 408 . 5 1 1 A 40 40 SER CB C 40 63.972 65.677 -1.705 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.956 4.051 -0.095 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.956 4.057 -0.101 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.066 172.118 1.948 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.322 45.247 0.075 1
1 5 . 6 1 1 A 8 8 GLN H H 8 8.173 8.703 -0.530 1
1 6 . 6 1 1 A 8 8 GLN HA H 8 4.244 5.197 -0.953 1
1 13 . 6 1 1 A 8 8 GLN C C 8 176.010 174.664 1.346 1
1 14 . 6 1 1 A 8 8 GLN CA C 8 56.057 54.509 1.548 1
1 15 . 6 1 1 A 8 8 GLN CB C 8 29.452 31.281 -1.829 1
1 17 . 6 1 1 A 8 8 GLN N N 8 119.348 120.459 -1.111 1
1 19 . 6 1 1 A 9 9 LYS H H 9 8.307 8.694 -0.387 1
1 20 . 6 1 1 A 9 9 LYS HA H 9 4.522 5.096 -0.574 1
1 29 . 6 1 1 A 9 9 LYS C C 9 173.766 175.385 -1.619 1
1 30 . 6 1 1 A 9 9 LYS CA C 9 53.843 53.401 0.442 1
1 31 . 6 1 1 A 9 9 LYS CB C 9 33.164 33.140 0.024 1
1 35 . 6 1 1 A 9 9 LYS N N 9 122.358 123.852 -1.494 1
1 36 . 6 1 1 A 10 10 PRO HA H 10 4.279 4.375 -0.096 1
1 43 . 6 1 1 A 10 10 PRO C C 10 176.401 175.948 0.453 1
1 44 . 6 1 1 A 10 10 PRO CA C 10 63.416 64.949 -1.533 1
1 45 . 6 1 1 A 10 10 PRO CB C 10 32.288 31.738 0.550 1
1 48 . 6 1 1 A 11 11 TYR H H 11 7.923 7.840 0.083 1
1 49 . 6 1 1 A 11 11 TYR HA H 11 4.623 4.698 -0.075 1
1 56 . 6 1 1 A 11 11 TYR C C 11 174.286 175.683 -1.397 1
1 57 . 6 1 1 A 11 11 TYR CA C 11 57.971 57.505 0.466 1
1 58 . 6 1 1 A 11 11 TYR CB C 11 38.024 37.806 0.218 1
1 63 . 6 1 1 A 11 11 TYR N N 11 119.366 117.914 1.452 1
1 64 . 6 1 1 A 12 12 VAL H H 12 8.401 9.011 -0.610 1
1 65 . 6 1 1 A 12 12 VAL HA H 12 4.579 4.737 -0.158 1
1 73 . 6 1 1 A 12 12 VAL C C 12 175.233 175.743 -0.510 1
1 74 . 6 1 1 A 12 12 VAL CA C 12 61.292 60.663 0.629 1
1 75 . 6 1 1 A 12 12 VAL CB C 12 34.524 34.548 -0.024 1
1 78 . 6 1 1 A 12 12 VAL N N 12 125.266 124.255 1.011 1
1 79 . 6 1 1 A 13 13 CYS H H 13 9.209 9.430 -0.221 1
1 80 . 6 1 1 A 13 13 CYS HA H 13 4.594 4.622 -0.028 1
1 83 . 6 1 1 A 13 13 CYS C C 13 177.334 175.830 1.504 1
1 84 . 6 1 1 A 13 13 CYS CA C 13 59.708 59.900 -0.192 1
1 85 . 6 1 1 A 13 13 CYS CB C 13 29.650 28.459 1.191 1
1 86 . 6 1 1 A 13 13 CYS N N 13 129.222 127.632 1.590 1
1 87 . 6 1 1 A 14 14 ASN H H 14 9.507 9.395 0.112 1
1 88 . 6 1 1 A 14 14 ASN HA H 14 4.511 4.843 -0.332 1
1 93 . 6 1 1 A 14 14 ASN C C 14 175.327 176.882 -1.555 1
1 94 . 6 1 1 A 14 14 ASN CA C 14 55.760 53.750 2.010 1
1 95 . 6 1 1 A 14 14 ASN CB C 14 38.946 38.616 0.330 1
1 96 . 6 1 1 A 14 14 ASN N N 14 130.952 126.782 4.170 1
1 98 . 6 1 1 A 15 15 GLU H H 15 8.759 7.993 0.766 1
1 99 . 6 1 1 A 15 15 GLU HA H 15 4.236 4.089 0.147 1
1 104 . 6 1 1 A 15 15 GLU C C 15 177.222 177.956 -0.734 1
1 105 . 6 1 1 A 15 15 GLU CA C 15 58.127 58.458 -0.331 1
1 106 . 6 1 1 A 15 15 GLU CB C 15 29.464 29.869 -0.405 1
1 108 . 6 1 1 A 15 15 GLU N N 15 120.367 118.699 1.668 1
1 109 . 6 1 1 A 16 16 CYS H H 16 8.075 8.039 0.036 1
1 110 . 6 1 1 A 16 16 CYS HA H 16 5.189 4.694 0.495 1
1 113 . 6 1 1 A 16 16 CYS C C 16 176.487 175.621 0.866 1
1 114 . 6 1 1 A 16 16 CYS CA C 16 58.273 59.282 -1.009 1
1 115 . 6 1 1 A 16 16 CYS CB C 16 32.589 30.420 2.169 1
1 116 . 6 1 1 A 16 16 CYS N N 16 115.028 115.202 -0.174 1
1 117 . 6 1 1 A 17 17 GLY H H 17 8.119 8.332 -0.213 1
1 118 . 6 1 1 A 17 17 GLY HA2 H 17 3.740 4.052 -0.312 1
1 119 . 6 1 1 A 17 17 GLY HA3 H 17 4.184 4.071 0.113 1
1 120 . 6 1 1 A 17 17 GLY C C 17 173.579 174.480 -0.901 1
1 121 . 6 1 1 A 17 17 GLY CA C 17 46.154 45.291 0.863 1
1 122 . 6 1 1 A 17 17 GLY N N 17 113.446 110.308 3.138 1
1 123 . 6 1 1 A 18 18 LYS H H 18 7.999 7.606 0.393 1
1 124 . 6 1 1 A 18 18 LYS HA H 18 3.902 4.258 -0.356 1
1 133 . 6 1 1 A 18 18 LYS C C 18 173.431 176.249 -2.818 1
1 134 . 6 1 1 A 18 18 LYS CA C 18 58.308 55.537 2.771 1
1 135 . 6 1 1 A 18 18 LYS CB C 18 33.373 33.229 0.144 1
1 139 . 6 1 1 A 18 18 LYS N N 18 123.594 122.315 1.279 1
1 140 . 6 1 1 A 19 19 ALA H H 19 7.690 8.484 -0.794 1
1 141 . 6 1 1 A 19 19 ALA HA H 19 5.156 5.558 -0.402 1
1 145 . 6 1 1 A 19 19 ALA C C 19 176.397 176.539 -0.142 1
1 146 . 6 1 1 A 19 19 ALA CA C 19 50.116 50.946 -0.830 1
1 147 . 6 1 1 A 19 19 ALA CB C 19 22.761 21.218 1.543 1
1 148 . 6 1 1 A 19 19 ALA N N 19 124.433 128.882 -4.449 1
1 149 . 6 1 1 A 20 20 PHE H H 20 8.988 9.218 -0.230 1
1 150 . 6 1 1 A 20 20 PHE HA H 20 4.671 4.900 -0.229 1
1 158 . 6 1 1 A 20 20 PHE C C 20 175.608 176.717 -1.109 1
1 159 . 6 1 1 A 20 20 PHE CA C 20 57.288 56.413 0.875 1
1 160 . 6 1 1 A 20 20 PHE CB C 20 43.643 41.527 2.116 1
1 166 . 6 1 1 A 20 20 PHE N N 20 117.426 117.700 -0.274 1
1 167 . 6 1 1 A 21 21 GLY H H 21 9.144 8.866 0.278 1
1 168 . 6 1 1 A 21 21 GLY HA2 H 21 4.066 3.934 0.132 1
1 169 . 6 1 1 A 21 21 GLY HA3 H 21 4.380 3.988 0.392 1
1 170 . 6 1 1 A 21 21 GLY C C 21 173.415 174.114 -0.699 1
1 171 . 6 1 1 A 21 21 GLY CA C 21 46.269 47.207 -0.938 1
1 172 . 6 1 1 A 21 21 GLY N N 21 108.353 110.905 -2.552 1
1 173 . 6 1 1 A 22 22 LEU H H 22 7.492 7.806 -0.314 1
1 174 . 6 1 1 A 22 22 LEU HA H 22 4.888 4.825 0.063 1
1 184 . 6 1 1 A 22 22 LEU C C 22 176.995 176.580 0.415 1
1 185 . 6 1 1 A 22 22 LEU CA C 22 53.043 53.039 0.004 1
1 186 . 6 1 1 A 22 22 LEU CB C 22 45.693 44.860 0.833 1
1 190 . 6 1 1 A 22 22 LEU N N 22 117.179 120.876 -3.697 1
1 191 . 6 1 1 A 23 23 LYS H H 23 8.346 8.388 -0.042 1
1 192 . 6 1 1 A 23 23 LYS HA H 23 3.000 2.572 0.428 1
1 201 . 6 1 1 A 23 23 LYS C C 23 178.113 177.730 0.383 1
1 202 . 6 1 1 A 23 23 LYS CA C 23 59.056 58.474 0.582 1
1 203 . 6 1 1 A 23 23 LYS CB C 23 31.452 32.008 -0.556 1
1 207 . 6 1 1 A 23 23 LYS N N 23 127.252 122.986 4.266 1
1 208 . 6 1 1 A 24 24 SER H H 24 8.360 7.795 0.565 1
1 209 . 6 1 1 A 24 24 SER HA H 24 3.865 3.988 -0.123 1
1 212 . 6 1 1 A 24 24 SER C C 24 176.854 177.028 -0.174 1
1 213 . 6 1 1 A 24 24 SER CA C 24 60.651 61.224 -0.573 1
1 214 . 6 1 1 A 24 24 SER CB C 24 61.315 62.922 -1.607 1
1 215 . 6 1 1 A 24 24 SER N N 24 111.653 113.607 -1.954 1
1 216 . 6 1 1 A 25 25 GLN H H 25 6.647 8.029 -1.382 1
1 217 . 6 1 1 A 25 25 GLN HA H 25 3.895 3.924 -0.029 1
1 224 . 6 1 1 A 25 25 GLN C C 25 178.428 178.064 0.364 1
1 225 . 6 1 1 A 25 25 GLN CA C 25 57.613 58.990 -1.377 1
1 226 . 6 1 1 A 25 25 GLN CB C 25 28.573 28.241 0.332 1
1 228 . 6 1 1 A 25 25 GLN N N 25 119.141 121.363 -2.222 1
1 230 . 6 1 1 A 26 26 LEU H H 26 6.992 7.583 -0.591 1
1 231 . 6 1 1 A 26 26 LEU HA H 26 3.324 2.669 0.655 1
1 241 . 6 1 1 A 26 26 LEU C C 26 177.103 178.166 -1.063 1
1 242 . 6 1 1 A 26 26 LEU CA C 26 57.854 57.145 0.709 1
1 243 . 6 1 1 A 26 26 LEU CB C 26 40.350 41.347 -0.997 1
1 247 . 6 1 1 A 26 26 LEU N N 26 122.365 120.350 2.015 1
1 248 . 6 1 1 A 27 27 ILE H H 27 7.971 7.767 0.204 1
1 249 . 6 1 1 A 27 27 ILE HA H 27 3.725 3.707 0.018 1
1 259 . 6 1 1 A 27 27 ILE C C 27 178.803 177.917 0.886 1
1 260 . 6 1 1 A 27 27 ILE CA C 27 64.616 65.359 -0.743 1
1 261 . 6 1 1 A 27 27 ILE CB C 27 37.833 37.889 -0.056 1
1 265 . 6 1 1 A 27 27 ILE N N 27 118.447 119.370 -0.923 1
1 266 . 6 1 1 A 28 28 ILE H H 28 7.047 8.079 -1.032 1
1 267 . 6 1 1 A 28 28 ILE HA H 28 3.572 3.708 -0.136 1
1 277 . 6 1 1 A 28 28 ILE C C 28 178.591 178.374 0.217 1
1 278 . 6 1 1 A 28 28 ILE CA C 28 64.607 64.046 0.561 1
1 279 . 6 1 1 A 28 28 ILE CB C 28 38.385 36.769 1.616 1
1 283 . 6 1 1 A 28 28 ILE N N 28 118.309 120.660 -2.351 1
1 284 . 6 1 1 A 29 29 HIS H H 29 7.575 7.538 0.037 1
1 285 . 6 1 1 A 29 29 HIS HA H 29 4.116 4.249 -0.133 1
1 290 . 6 1 1 A 29 29 HIS C C 29 176.399 177.377 -0.978 1
1 291 . 6 1 1 A 29 29 HIS CA C 29 59.638 59.410 0.228 1
1 292 . 6 1 1 A 29 29 HIS CB C 29 28.686 29.653 -0.967 1
1 295 . 6 1 1 A 29 29 HIS N N 29 120.367 120.729 -0.362 1
1 296 . 6 1 1 A 30 30 GLU H H 30 8.691 8.831 -0.140 1
1 297 . 6 1 1 A 30 30 GLU HA H 30 3.695 3.949 -0.254 1
1 302 . 6 1 1 A 30 30 GLU C C 30 178.190 179.149 -0.959 1
1 303 . 6 1 1 A 30 30 GLU CA C 30 60.106 59.932 0.174 1
1 304 . 6 1 1 A 30 30 GLU CB C 30 29.866 29.190 0.676 1
1 306 . 6 1 1 A 30 30 GLU N N 30 116.137 117.701 -1.564 1
1 307 . 6 1 1 A 31 31 ARG H H 31 7.138 7.861 -0.723 1
1 308 . 6 1 1 A 31 31 ARG HA H 31 4.178 4.126 0.052 1
1 315 . 6 1 1 A 31 31 ARG C C 31 178.912 179.003 -0.091 1
1 316 . 6 1 1 A 31 31 ARG CA C 31 58.400 58.699 -0.299 1
1 317 . 6 1 1 A 31 31 ARG CB C 31 30.069 29.906 0.163 1
1 320 . 6 1 1 A 31 31 ARG N N 31 116.943 119.549 -2.606 1
1 321 . 6 1 1 A 32 32 ILE H H 32 7.978 7.635 0.343 1
1 322 . 6 1 1 A 32 32 ILE HA H 32 3.935 3.678 0.257 1
1 332 . 6 1 1 A 32 32 ILE C C 32 177.623 177.579 0.044 1
1 333 . 6 1 1 A 32 32 ILE CA C 32 63.351 63.963 -0.612 1
1 334 . 6 1 1 A 32 32 ILE CB C 32 37.667 36.946 0.721 1
1 338 . 6 1 1 A 32 32 ILE N N 32 117.036 116.747 0.289 1
1 339 . 6 1 1 A 33 33 HIS H H 33 7.209 7.112 0.097 1
1 340 . 6 1 1 A 33 33 HIS HA H 33 4.820 4.443 0.377 1
1 345 . 6 1 1 A 33 33 HIS C C 33 175.937 177.797 -1.860 1
1 346 . 6 1 1 A 33 33 HIS CA C 33 55.352 58.968 -3.616 1
1 347 . 6 1 1 A 33 33 HIS CB C 33 28.527 30.731 -2.204 1
1 350 . 6 1 1 A 33 33 HIS N N 33 117.235 120.826 -3.591 1
1 351 . 6 1 1 A 34 34 THR H H 34 7.749 8.225 -0.476 1
1 352 . 6 1 1 A 34 34 THR HA H 34 4.369 4.155 0.214 1
1 357 . 6 1 1 A 34 34 THR C C 34 175.653 175.745 -0.092 1
1 358 . 6 1 1 A 34 34 THR CA C 34 62.438 65.278 -2.840 1
1 359 . 6 1 1 A 34 34 THR CB C 34 69.975 68.309 1.666 1
1 361 . 6 1 1 A 34 34 THR N N 34 110.763 113.327 -2.564 1
1 362 . 6 1 1 A 35 35 GLY H H 35 8.174 7.371 0.803 1
1 363 . 6 1 1 A 35 35 GLY HA2 H 35 4.059 4.042 0.017 1
1 364 . 6 1 1 A 35 35 GLY HA3 H 35 3.950 4.053 -0.103 1
1 365 . 6 1 1 A 35 35 GLY C C 35 174.334 173.547 0.787 1
1 366 . 6 1 1 A 35 35 GLY CA C 35 45.450 45.220 0.230 1
1 367 . 6 1 1 A 35 35 GLY N N 35 110.516 109.916 0.600 1
1 368 . 6 1 1 A 36 36 GLU H H 36 8.130 7.898 0.232 1
1 369 . 6 1 1 A 36 36 GLU HA H 36 4.311 4.692 -0.381 1
1 374 . 6 1 1 A 36 36 GLU C C 36 176.510 174.003 2.507 1
1 375 . 6 1 1 A 36 36 GLU CA C 36 56.629 55.791 0.838 1
1 376 . 6 1 1 A 36 36 GLU CB C 36 30.535 34.056 -3.521 1
1 378 . 6 1 1 A 36 36 GLU N N 36 120.680 119.488 1.192 1
1 379 . 6 1 1 A 37 37 SER H H 37 8.391 8.527 -0.136 1
1 380 . 6 1 1 A 37 37 SER HA H 37 4.481 5.174 -0.693 1
1 383 . 6 1 1 A 37 37 SER C C 37 174.576 173.366 1.210 1
1 384 . 6 1 1 A 37 37 SER CA C 37 58.300 57.035 1.265 1
1 385 . 6 1 1 A 37 37 SER CB C 37 63.990 65.520 -1.530 1
1 386 . 6 1 1 A 37 37 SER N N 37 116.733 122.046 -5.313 1
1 387 . 6 1 1 A 38 38 GLY H H 38 8.240 8.682 -0.442 1
1 388 . 6 1 1 A 38 38 GLY HA2 H 38 4.158 4.336 -0.178 1
1 389 . 6 1 1 A 38 38 GLY HA3 H 38 4.064 4.339 -0.275 1
1 390 . 6 1 1 A 38 38 GLY C C 38 171.698 172.486 -0.788 1
1 391 . 6 1 1 A 38 38 GLY CA C 38 44.560 44.125 0.435 1
1 392 . 6 1 1 A 38 38 GLY N N 38 110.538 108.667 1.871 1
1 393 . 6 1 1 A 39 39 PRO HA H 39 4.474 4.690 -0.216 1
1 400 . 6 1 1 A 39 39 PRO C C 39 177.358 176.432 0.926 1
1 401 . 6 1 1 A 39 39 PRO CA C 39 63.172 62.484 0.688 1
1 402 . 6 1 1 A 39 39 PRO CB C 39 32.197 30.900 1.297 1
1 405 . 6 1 1 A 40 40 SER H H 40 8.542 8.406 0.136 1
1 406 . 6 1 1 A 40 40 SER C C 40 174.651 175.785 -1.134 1
1 407 . 6 1 1 A 40 40 SER CA C 40 58.452 61.052 -2.600 1
1 408 . 6 1 1 A 40 40 SER CB C 40 63.972 63.654 0.318 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.956 4.143 -0.187 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.956 4.144 -0.188 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.066 171.853 2.213 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.322 44.690 0.632 1
1 5 . 7 1 1 A 8 8 GLN H H 8 8.173 8.481 -0.308 1
1 6 . 7 1 1 A 8 8 GLN HA H 8 4.244 5.178 -0.934 1
1 13 . 7 1 1 A 8 8 GLN C C 8 176.010 173.710 2.300 1
1 14 . 7 1 1 A 8 8 GLN CA C 8 56.057 54.133 1.924 1
1 15 . 7 1 1 A 8 8 GLN CB C 8 29.452 32.162 -2.710 1
1 17 . 7 1 1 A 8 8 GLN N N 8 119.348 118.770 0.578 1
1 19 . 7 1 1 A 9 9 LYS H H 9 8.307 8.640 -0.333 1
1 20 . 7 1 1 A 9 9 LYS HA H 9 4.522 5.132 -0.610 1
1 29 . 7 1 1 A 9 9 LYS C C 9 173.766 175.175 -1.409 1
1 30 . 7 1 1 A 9 9 LYS CA C 9 53.843 53.548 0.295 1
1 31 . 7 1 1 A 9 9 LYS CB C 9 33.164 33.425 -0.261 1
1 35 . 7 1 1 A 9 9 LYS N N 9 122.358 122.409 -0.051 1
1 36 . 7 1 1 A 10 10 PRO HA H 10 4.279 4.375 -0.096 1
1 43 . 7 1 1 A 10 10 PRO C C 10 176.401 176.111 0.290 1
1 44 . 7 1 1 A 10 10 PRO CA C 10 63.416 64.777 -1.361 1
1 45 . 7 1 1 A 10 10 PRO CB C 10 32.288 31.684 0.604 1
1 48 . 7 1 1 A 11 11 TYR H H 11 7.923 8.085 -0.162 1
1 49 . 7 1 1 A 11 11 TYR HA H 11 4.623 4.740 -0.117 1
1 56 . 7 1 1 A 11 11 TYR C C 11 174.286 175.262 -0.976 1
1 57 . 7 1 1 A 11 11 TYR CA C 11 57.971 57.099 0.872 1
1 58 . 7 1 1 A 11 11 TYR CB C 11 38.024 37.258 0.766 1
1 63 . 7 1 1 A 11 11 TYR N N 11 119.366 117.878 1.488 1
1 64 . 7 1 1 A 12 12 VAL H H 12 8.401 8.479 -0.078 1
1 65 . 7 1 1 A 12 12 VAL HA H 12 4.579 4.873 -0.294 1
1 73 . 7 1 1 A 12 12 VAL C C 12 175.233 175.442 -0.209 1
1 74 . 7 1 1 A 12 12 VAL CA C 12 61.292 61.136 0.156 1
1 75 . 7 1 1 A 12 12 VAL CB C 12 34.524 34.215 0.309 1
1 78 . 7 1 1 A 12 12 VAL N N 12 125.266 124.990 0.276 1
1 79 . 7 1 1 A 13 13 CYS H H 13 9.209 9.343 -0.134 1
1 80 . 7 1 1 A 13 13 CYS HA H 13 4.594 4.662 -0.068 1
1 83 . 7 1 1 A 13 13 CYS C C 13 177.334 175.972 1.362 1
1 84 . 7 1 1 A 13 13 CYS CA C 13 59.708 59.727 -0.019 1
1 85 . 7 1 1 A 13 13 CYS CB C 13 29.650 28.696 0.954 1
1 86 . 7 1 1 A 13 13 CYS N N 13 129.222 127.102 2.120 1
1 87 . 7 1 1 A 14 14 ASN H H 14 9.507 9.239 0.268 1
1 88 . 7 1 1 A 14 14 ASN HA H 14 4.511 4.973 -0.462 1
1 93 . 7 1 1 A 14 14 ASN C C 14 175.327 175.568 -0.241 1
1 94 . 7 1 1 A 14 14 ASN CA C 14 55.760 53.639 2.121 1
1 95 . 7 1 1 A 14 14 ASN CB C 14 38.946 38.688 0.258 1
1 96 . 7 1 1 A 14 14 ASN N N 14 130.952 126.326 4.626 1
1 98 . 7 1 1 A 15 15 GLU H H 15 8.759 7.952 0.807 1
1 99 . 7 1 1 A 15 15 GLU HA H 15 4.236 4.354 -0.118 1
1 104 . 7 1 1 A 15 15 GLU C C 15 177.222 177.987 -0.765 1
1 105 . 7 1 1 A 15 15 GLU CA C 15 58.127 57.097 1.030 1
1 106 . 7 1 1 A 15 15 GLU CB C 15 29.464 30.671 -1.207 1
1 108 . 7 1 1 A 15 15 GLU N N 15 120.367 117.370 2.997 1
1 109 . 7 1 1 A 16 16 CYS H H 16 8.075 8.068 0.007 1
1 110 . 7 1 1 A 16 16 CYS HA H 16 5.189 4.688 0.501 1
1 113 . 7 1 1 A 16 16 CYS C C 16 176.487 175.620 0.867 1
1 114 . 7 1 1 A 16 16 CYS CA C 16 58.273 59.269 -0.996 1
1 115 . 7 1 1 A 16 16 CYS CB C 16 32.589 30.427 2.162 1
1 116 . 7 1 1 A 16 16 CYS N N 16 115.028 114.624 0.404 1
1 117 . 7 1 1 A 17 17 GLY H H 17 8.119 8.357 -0.238 1
1 118 . 7 1 1 A 17 17 GLY HA2 H 17 3.740 4.046 -0.306 1
1 119 . 7 1 1 A 17 17 GLY HA3 H 17 4.184 4.062 0.122 1
1 120 . 7 1 1 A 17 17 GLY C C 17 173.579 174.307 -0.728 1
1 121 . 7 1 1 A 17 17 GLY CA C 17 46.154 45.324 0.830 1
1 122 . 7 1 1 A 17 17 GLY N N 17 113.446 110.411 3.035 1
1 123 . 7 1 1 A 18 18 LYS H H 18 7.999 7.580 0.419 1
1 124 . 7 1 1 A 18 18 LYS HA H 18 3.902 4.424 -0.522 1
1 133 . 7 1 1 A 18 18 LYS C C 18 173.431 175.858 -2.427 1
1 134 . 7 1 1 A 18 18 LYS CA C 18 58.308 55.261 3.047 1
1 135 . 7 1 1 A 18 18 LYS CB C 18 33.373 33.719 -0.346 1
1 139 . 7 1 1 A 18 18 LYS N N 18 123.594 121.876 1.718 1
1 140 . 7 1 1 A 19 19 ALA H H 19 7.690 8.494 -0.804 1
1 141 . 7 1 1 A 19 19 ALA HA H 19 5.156 5.484 -0.328 1
1 145 . 7 1 1 A 19 19 ALA C C 19 176.397 176.130 0.267 1
1 146 . 7 1 1 A 19 19 ALA CA C 19 50.116 50.757 -0.641 1
1 147 . 7 1 1 A 19 19 ALA CB C 19 22.761 21.219 1.542 1
1 148 . 7 1 1 A 19 19 ALA N N 19 124.433 128.303 -3.870 1
1 149 . 7 1 1 A 20 20 PHE H H 20 8.988 8.984 0.004 1
1 150 . 7 1 1 A 20 20 PHE HA H 20 4.671 4.927 -0.256 1
1 158 . 7 1 1 A 20 20 PHE C C 20 175.608 176.754 -1.146 1
1 159 . 7 1 1 A 20 20 PHE CA C 20 57.288 56.072 1.216 1
1 160 . 7 1 1 A 20 20 PHE CB C 20 43.643 40.606 3.037 1
1 166 . 7 1 1 A 20 20 PHE N N 20 117.426 117.655 -0.229 1
1 167 . 7 1 1 A 21 21 GLY H H 21 9.144 8.774 0.370 1
1 168 . 7 1 1 A 21 21 GLY HA2 H 21 4.066 3.946 0.120 1
1 169 . 7 1 1 A 21 21 GLY HA3 H 21 4.380 4.031 0.349 1
1 170 . 7 1 1 A 21 21 GLY C C 21 173.415 174.377 -0.962 1
1 171 . 7 1 1 A 21 21 GLY CA C 21 46.269 47.596 -1.327 1
1 172 . 7 1 1 A 21 21 GLY N N 21 108.353 110.857 -2.504 1
1 173 . 7 1 1 A 22 22 LEU H H 22 7.492 7.835 -0.343 1
1 174 . 7 1 1 A 22 22 LEU HA H 22 4.888 4.542 0.346 1
1 184 . 7 1 1 A 22 22 LEU C C 22 176.995 176.463 0.532 1
1 185 . 7 1 1 A 22 22 LEU CA C 22 53.043 53.512 -0.469 1
1 186 . 7 1 1 A 22 22 LEU CB C 22 45.693 43.892 1.801 1
1 190 . 7 1 1 A 22 22 LEU N N 22 117.179 120.801 -3.622 1
1 191 . 7 1 1 A 23 23 LYS H H 23 8.346 8.313 0.033 1
1 192 . 7 1 1 A 23 23 LYS HA H 23 3.000 3.256 -0.256 1
1 201 . 7 1 1 A 23 23 LYS C C 23 178.113 178.200 -0.087 1
1 202 . 7 1 1 A 23 23 LYS CA C 23 59.056 59.207 -0.151 1
1 203 . 7 1 1 A 23 23 LYS CB C 23 31.452 32.320 -0.868 1
1 207 . 7 1 1 A 23 23 LYS N N 23 127.252 123.961 3.291 1
1 208 . 7 1 1 A 24 24 SER H H 24 8.360 8.131 0.229 1
1 209 . 7 1 1 A 24 24 SER HA H 24 3.865 3.999 -0.134 1
1 212 . 7 1 1 A 24 24 SER C C 24 176.854 176.709 0.145 1
1 213 . 7 1 1 A 24 24 SER CA C 24 60.651 61.855 -1.204 1
1 214 . 7 1 1 A 24 24 SER CB C 24 61.315 62.934 -1.619 1
1 215 . 7 1 1 A 24 24 SER N N 24 111.653 115.434 -3.781 1
1 216 . 7 1 1 A 25 25 GLN H H 25 6.647 8.084 -1.437 1
1 217 . 7 1 1 A 25 25 GLN HA H 25 3.895 3.980 -0.085 1
1 224 . 7 1 1 A 25 25 GLN C C 25 178.428 177.468 0.960 1
1 225 . 7 1 1 A 25 25 GLN CA C 25 57.613 58.736 -1.123 1
1 226 . 7 1 1 A 25 25 GLN CB C 25 28.573 28.418 0.155 1
1 228 . 7 1 1 A 25 25 GLN N N 25 119.141 120.794 -1.653 1
1 230 . 7 1 1 A 26 26 LEU H H 26 6.992 7.834 -0.842 1
1 231 . 7 1 1 A 26 26 LEU HA H 26 3.324 2.864 0.460 1
1 241 . 7 1 1 A 26 26 LEU C C 26 177.103 178.285 -1.182 1
1 242 . 7 1 1 A 26 26 LEU CA C 26 57.854 56.873 0.981 1
1 243 . 7 1 1 A 26 26 LEU CB C 26 40.350 42.236 -1.886 1
1 247 . 7 1 1 A 26 26 LEU N N 26 122.365 120.628 1.737 1
1 248 . 7 1 1 A 27 27 ILE H H 27 7.971 7.890 0.081 1
1 249 . 7 1 1 A 27 27 ILE HA H 27 3.725 3.705 0.020 1
1 259 . 7 1 1 A 27 27 ILE C C 27 178.803 177.949 0.854 1
1 260 . 7 1 1 A 27 27 ILE CA C 27 64.616 65.334 -0.718 1
1 261 . 7 1 1 A 27 27 ILE CB C 27 37.833 37.796 0.037 1
1 265 . 7 1 1 A 27 27 ILE N N 27 118.447 119.403 -0.956 1
1 266 . 7 1 1 A 28 28 ILE H H 28 7.047 8.107 -1.060 1
1 267 . 7 1 1 A 28 28 ILE HA H 28 3.572 3.715 -0.143 1
1 277 . 7 1 1 A 28 28 ILE C C 28 178.591 178.331 0.260 1
1 278 . 7 1 1 A 28 28 ILE CA C 28 64.607 64.303 0.304 1
1 279 . 7 1 1 A 28 28 ILE CB C 28 38.385 36.704 1.681 1
1 283 . 7 1 1 A 28 28 ILE N N 28 118.309 120.971 -2.662 1
1 284 . 7 1 1 A 29 29 HIS H H 29 7.575 7.917 -0.342 1
1 285 . 7 1 1 A 29 29 HIS HA H 29 4.116 4.221 -0.105 1
1 290 . 7 1 1 A 29 29 HIS C C 29 176.399 177.342 -0.943 1
1 291 . 7 1 1 A 29 29 HIS CA C 29 59.638 59.530 0.108 1
1 292 . 7 1 1 A 29 29 HIS CB C 29 28.686 29.619 -0.933 1
1 295 . 7 1 1 A 29 29 HIS N N 29 120.367 120.397 -0.030 1
1 296 . 7 1 1 A 30 30 GLU H H 30 8.691 8.785 -0.094 1
1 297 . 7 1 1 A 30 30 GLU HA H 30 3.695 4.018 -0.323 1
1 302 . 7 1 1 A 30 30 GLU C C 30 178.190 179.413 -1.223 1
1 303 . 7 1 1 A 30 30 GLU CA C 30 60.106 59.977 0.129 1
1 304 . 7 1 1 A 30 30 GLU CB C 30 29.866 29.186 0.680 1
1 306 . 7 1 1 A 30 30 GLU N N 30 116.137 117.502 -1.365 1
1 307 . 7 1 1 A 31 31 ARG H H 31 7.138 7.886 -0.748 1
1 308 . 7 1 1 A 31 31 ARG HA H 31 4.178 4.163 0.015 1
1 315 . 7 1 1 A 31 31 ARG C C 31 178.912 178.941 -0.029 1
1 316 . 7 1 1 A 31 31 ARG CA C 31 58.400 58.839 -0.439 1
1 317 . 7 1 1 A 31 31 ARG CB C 31 30.069 29.765 0.304 1
1 320 . 7 1 1 A 31 31 ARG N N 31 116.943 119.577 -2.634 1
1 321 . 7 1 1 A 32 32 ILE H H 32 7.978 7.725 0.253 1
1 322 . 7 1 1 A 32 32 ILE HA H 32 3.935 3.693 0.242 1
1 332 . 7 1 1 A 32 32 ILE C C 32 177.623 177.284 0.339 1
1 333 . 7 1 1 A 32 32 ILE CA C 32 63.351 63.725 -0.374 1
1 334 . 7 1 1 A 32 32 ILE CB C 32 37.667 37.051 0.616 1
1 338 . 7 1 1 A 32 32 ILE N N 32 117.036 117.111 -0.075 1
1 339 . 7 1 1 A 33 33 HIS H H 33 7.209 7.217 -0.008 1
1 340 . 7 1 1 A 33 33 HIS HA H 33 4.820 4.486 0.334 1
1 345 . 7 1 1 A 33 33 HIS C C 33 175.937 177.490 -1.553 1
1 346 . 7 1 1 A 33 33 HIS CA C 33 55.352 58.646 -3.294 1
1 347 . 7 1 1 A 33 33 HIS CB C 33 28.527 30.862 -2.335 1
1 350 . 7 1 1 A 33 33 HIS N N 33 117.235 120.348 -3.113 1
1 351 . 7 1 1 A 34 34 THR H H 34 7.749 8.120 -0.371 1
1 352 . 7 1 1 A 34 34 THR HA H 34 4.369 4.154 0.215 1
1 357 . 7 1 1 A 34 34 THR C C 34 175.653 175.330 0.323 1
1 358 . 7 1 1 A 34 34 THR CA C 34 62.438 65.299 -2.861 1
1 359 . 7 1 1 A 34 34 THR CB C 34 69.975 67.979 1.996 1
1 361 . 7 1 1 A 34 34 THR N N 34 110.763 112.985 -2.222 1
1 362 . 7 1 1 A 35 35 GLY H H 35 8.174 7.368 0.806 1
1 363 . 7 1 1 A 35 35 GLY HA2 H 35 4.059 4.038 0.021 1
1 364 . 7 1 1 A 35 35 GLY HA3 H 35 3.950 4.047 -0.097 1
1 365 . 7 1 1 A 35 35 GLY C C 35 174.334 173.681 0.653 1
1 366 . 7 1 1 A 35 35 GLY CA C 35 45.450 45.816 -0.366 1
1 367 . 7 1 1 A 35 35 GLY N N 35 110.516 109.410 1.106 1
1 368 . 7 1 1 A 36 36 GLU H H 36 8.130 8.365 -0.235 1
1 369 . 7 1 1 A 36 36 GLU HA H 36 4.311 4.191 0.120 1
1 374 . 7 1 1 A 36 36 GLU C C 36 176.510 176.394 0.116 1
1 375 . 7 1 1 A 36 36 GLU CA C 36 56.629 57.333 -0.704 1
1 376 . 7 1 1 A 36 36 GLU CB C 36 30.535 29.916 0.619 1
1 378 . 7 1 1 A 36 36 GLU N N 36 120.680 123.226 -2.546 1
1 379 . 7 1 1 A 37 37 SER H H 37 8.391 8.518 -0.127 1
1 380 . 7 1 1 A 37 37 SER HA H 37 4.481 4.634 -0.153 1
1 383 . 7 1 1 A 37 37 SER C C 37 174.576 174.715 -0.139 1
1 384 . 7 1 1 A 37 37 SER CA C 37 58.300 58.077 0.223 1
1 385 . 7 1 1 A 37 37 SER CB C 37 63.990 64.948 -0.958 1
1 386 . 7 1 1 A 37 37 SER N N 37 116.733 122.164 -5.431 1
1 387 . 7 1 1 A 38 38 GLY H H 38 8.240 8.482 -0.242 1
1 388 . 7 1 1 A 38 38 GLY HA2 H 38 4.158 4.034 0.124 1
1 389 . 7 1 1 A 38 38 GLY HA3 H 38 4.064 4.052 0.012 1
1 390 . 7 1 1 A 38 38 GLY C C 38 171.698 174.297 -2.599 1
1 391 . 7 1 1 A 38 38 GLY CA C 38 44.560 44.770 -0.210 1
1 392 . 7 1 1 A 38 38 GLY N N 38 110.538 109.778 0.760 1
1 393 . 7 1 1 A 39 39 PRO HA H 39 4.474 4.417 0.057 1
1 400 . 7 1 1 A 39 39 PRO C C 39 177.358 177.202 0.156 1
1 401 . 7 1 1 A 39 39 PRO CA C 39 63.172 64.824 -1.652 1
1 402 . 7 1 1 A 39 39 PRO CB C 39 32.197 32.125 0.072 1
1 405 . 7 1 1 A 40 40 SER H H 40 8.542 8.269 0.273 1
1 406 . 7 1 1 A 40 40 SER C C 40 174.651 173.502 1.149 1
1 407 . 7 1 1 A 40 40 SER CA C 40 58.452 59.560 -1.108 1
1 408 . 7 1 1 A 40 40 SER CB C 40 63.972 65.348 -1.376 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.956 4.024 -0.068 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.956 4.027 -0.071 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.066 173.221 0.845 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.322 45.522 -0.200 1
1 5 . 8 1 1 A 8 8 GLN H H 8 8.173 8.250 -0.077 1
1 6 . 8 1 1 A 8 8 GLN HA H 8 4.244 5.077 -0.833 1
1 13 . 8 1 1 A 8 8 GLN C C 8 176.010 174.871 1.139 1
1 14 . 8 1 1 A 8 8 GLN CA C 8 56.057 54.809 1.248 1
1 15 . 8 1 1 A 8 8 GLN CB C 8 29.452 30.159 -0.707 1
1 17 . 8 1 1 A 8 8 GLN N N 8 119.348 117.868 1.480 1
1 19 . 8 1 1 A 9 9 LYS H H 9 8.307 8.371 -0.064 1
1 20 . 8 1 1 A 9 9 LYS HA H 9 4.522 4.974 -0.452 1
1 29 . 8 1 1 A 9 9 LYS C C 9 173.766 175.454 -1.688 1
1 30 . 8 1 1 A 9 9 LYS CA C 9 53.843 52.938 0.905 1
1 31 . 8 1 1 A 9 9 LYS CB C 9 33.164 34.968 -1.804 1
1 35 . 8 1 1 A 9 9 LYS N N 9 122.358 124.505 -2.147 1
1 36 . 8 1 1 A 10 10 PRO HA H 10 4.279 4.347 -0.068 1
1 43 . 8 1 1 A 10 10 PRO C C 10 176.401 175.948 0.453 1
1 44 . 8 1 1 A 10 10 PRO CA C 10 63.416 64.892 -1.476 1
1 45 . 8 1 1 A 10 10 PRO CB C 10 32.288 31.766 0.522 1
1 48 . 8 1 1 A 11 11 TYR H H 11 7.923 7.894 0.029 1
1 49 . 8 1 1 A 11 11 TYR HA H 11 4.623 4.676 -0.053 1
1 56 . 8 1 1 A 11 11 TYR C C 11 174.286 175.566 -1.280 1
1 57 . 8 1 1 A 11 11 TYR CA C 11 57.971 57.593 0.378 1
1 58 . 8 1 1 A 11 11 TYR CB C 11 38.024 37.668 0.356 1
1 63 . 8 1 1 A 11 11 TYR N N 11 119.366 117.736 1.630 1
1 64 . 8 1 1 A 12 12 VAL H H 12 8.401 8.597 -0.196 1
1 65 . 8 1 1 A 12 12 VAL HA H 12 4.579 4.719 -0.140 1
1 73 . 8 1 1 A 12 12 VAL C C 12 175.233 175.887 -0.654 1
1 74 . 8 1 1 A 12 12 VAL CA C 12 61.292 60.717 0.575 1
1 75 . 8 1 1 A 12 12 VAL CB C 12 34.524 34.498 0.026 1
1 78 . 8 1 1 A 12 12 VAL N N 12 125.266 124.458 0.808 1
1 79 . 8 1 1 A 13 13 CYS H H 13 9.209 9.420 -0.211 1
1 80 . 8 1 1 A 13 13 CYS HA H 13 4.594 4.561 0.033 1
1 83 . 8 1 1 A 13 13 CYS C C 13 177.334 175.606 1.728 1
1 84 . 8 1 1 A 13 13 CYS CA C 13 59.708 60.127 -0.419 1
1 85 . 8 1 1 A 13 13 CYS CB C 13 29.650 28.637 1.013 1
1 86 . 8 1 1 A 13 13 CYS N N 13 129.222 127.859 1.363 1
1 87 . 8 1 1 A 14 14 ASN H H 14 9.507 9.169 0.338 1
1 88 . 8 1 1 A 14 14 ASN HA H 14 4.511 4.793 -0.282 1
1 93 . 8 1 1 A 14 14 ASN C C 14 175.327 175.935 -0.608 1
1 94 . 8 1 1 A 14 14 ASN CA C 14 55.760 54.123 1.637 1
1 95 . 8 1 1 A 14 14 ASN CB C 14 38.946 38.788 0.158 1
1 96 . 8 1 1 A 14 14 ASN N N 14 130.952 125.998 4.954 1
1 98 . 8 1 1 A 15 15 GLU H H 15 8.759 7.963 0.796 1
1 99 . 8 1 1 A 15 15 GLU HA H 15 4.236 4.150 0.086 1
1 104 . 8 1 1 A 15 15 GLU C C 15 177.222 177.971 -0.749 1
1 105 . 8 1 1 A 15 15 GLU CA C 15 58.127 58.113 0.014 1
1 106 . 8 1 1 A 15 15 GLU CB C 15 29.464 29.999 -0.535 1
1 108 . 8 1 1 A 15 15 GLU N N 15 120.367 117.634 2.733 1
1 109 . 8 1 1 A 16 16 CYS H H 16 8.075 8.099 -0.024 1
1 110 . 8 1 1 A 16 16 CYS HA H 16 5.189 4.692 0.497 1
1 113 . 8 1 1 A 16 16 CYS C C 16 176.487 175.612 0.875 1
1 114 . 8 1 1 A 16 16 CYS CA C 16 58.273 59.349 -1.076 1
1 115 . 8 1 1 A 16 16 CYS CB C 16 32.589 30.258 2.331 1
1 116 . 8 1 1 A 16 16 CYS N N 16 115.028 115.211 -0.183 1
1 117 . 8 1 1 A 17 17 GLY H H 17 8.119 8.305 -0.186 1
1 118 . 8 1 1 A 17 17 GLY HA2 H 17 3.740 4.054 -0.314 1
1 119 . 8 1 1 A 17 17 GLY HA3 H 17 4.184 4.071 0.113 1
1 120 . 8 1 1 A 17 17 GLY C C 17 173.579 174.383 -0.804 1
1 121 . 8 1 1 A 17 17 GLY CA C 17 46.154 45.236 0.918 1
1 122 . 8 1 1 A 17 17 GLY N N 17 113.446 110.302 3.144 1
1 123 . 8 1 1 A 18 18 LYS H H 18 7.999 7.606 0.393 1
1 124 . 8 1 1 A 18 18 LYS HA H 18 3.902 4.352 -0.450 1
1 133 . 8 1 1 A 18 18 LYS C C 18 173.431 176.011 -2.580 1
1 134 . 8 1 1 A 18 18 LYS CA C 18 58.308 55.449 2.859 1
1 135 . 8 1 1 A 18 18 LYS CB C 18 33.373 33.297 0.076 1
1 139 . 8 1 1 A 18 18 LYS N N 18 123.594 121.887 1.707 1
1 140 . 8 1 1 A 19 19 ALA H H 19 7.690 8.546 -0.856 1
1 141 . 8 1 1 A 19 19 ALA HA H 19 5.156 5.517 -0.361 1
1 145 . 8 1 1 A 19 19 ALA C C 19 176.397 176.484 -0.087 1
1 146 . 8 1 1 A 19 19 ALA CA C 19 50.116 50.987 -0.871 1
1 147 . 8 1 1 A 19 19 ALA CB C 19 22.761 21.170 1.591 1
1 148 . 8 1 1 A 19 19 ALA N N 19 124.433 128.470 -4.037 1
1 149 . 8 1 1 A 20 20 PHE H H 20 8.988 9.304 -0.316 1
1 150 . 8 1 1 A 20 20 PHE HA H 20 4.671 4.983 -0.312 1
1 158 . 8 1 1 A 20 20 PHE C C 20 175.608 176.718 -1.110 1
1 159 . 8 1 1 A 20 20 PHE CA C 20 57.288 56.014 1.274 1
1 160 . 8 1 1 A 20 20 PHE CB C 20 43.643 40.712 2.931 1
1 166 . 8 1 1 A 20 20 PHE N N 20 117.426 117.604 -0.178 1
1 167 . 8 1 1 A 21 21 GLY H H 21 9.144 8.800 0.344 1
1 168 . 8 1 1 A 21 21 GLY HA2 H 21 4.066 3.930 0.136 1
1 169 . 8 1 1 A 21 21 GLY HA3 H 21 4.380 3.991 0.389 1
1 170 . 8 1 1 A 21 21 GLY C C 21 173.415 174.420 -1.005 1
1 171 . 8 1 1 A 21 21 GLY CA C 21 46.269 47.513 -1.244 1
1 172 . 8 1 1 A 21 21 GLY N N 21 108.353 110.838 -2.485 1
1 173 . 8 1 1 A 22 22 LEU H H 22 7.492 7.916 -0.424 1
1 174 . 8 1 1 A 22 22 LEU HA H 22 4.888 4.782 0.106 1
1 184 . 8 1 1 A 22 22 LEU C C 22 176.995 176.764 0.231 1
1 185 . 8 1 1 A 22 22 LEU CA C 22 53.043 53.244 -0.201 1
1 186 . 8 1 1 A 22 22 LEU CB C 22 45.693 44.112 1.581 1
1 190 . 8 1 1 A 22 22 LEU N N 22 117.179 120.940 -3.761 1
1 191 . 8 1 1 A 23 23 LYS H H 23 8.346 8.446 -0.100 1
1 192 . 8 1 1 A 23 23 LYS HA H 23 3.000 2.520 0.480 1
1 201 . 8 1 1 A 23 23 LYS C C 23 178.113 177.669 0.444 1
1 202 . 8 1 1 A 23 23 LYS CA C 23 59.056 58.657 0.399 1
1 203 . 8 1 1 A 23 23 LYS CB C 23 31.452 31.909 -0.457 1
1 207 . 8 1 1 A 23 23 LYS N N 23 127.252 123.122 4.130 1
1 208 . 8 1 1 A 24 24 SER H H 24 8.360 7.808 0.552 1
1 209 . 8 1 1 A 24 24 SER HA H 24 3.865 3.990 -0.125 1
1 212 . 8 1 1 A 24 24 SER C C 24 176.854 177.034 -0.180 1
1 213 . 8 1 1 A 24 24 SER CA C 24 60.651 61.503 -0.852 1
1 214 . 8 1 1 A 24 24 SER CB C 24 61.315 62.961 -1.646 1
1 215 . 8 1 1 A 24 24 SER N N 24 111.653 113.485 -1.832 1
1 216 . 8 1 1 A 25 25 GLN H H 25 6.647 8.064 -1.417 1
1 217 . 8 1 1 A 25 25 GLN HA H 25 3.895 3.925 -0.030 1
1 224 . 8 1 1 A 25 25 GLN C C 25 178.428 177.936 0.492 1
1 225 . 8 1 1 A 25 25 GLN CA C 25 57.613 58.955 -1.342 1
1 226 . 8 1 1 A 25 25 GLN CB C 25 28.573 28.233 0.340 1
1 228 . 8 1 1 A 25 25 GLN N N 25 119.141 121.429 -2.288 1
1 230 . 8 1 1 A 26 26 LEU H H 26 6.992 7.607 -0.615 1
1 231 . 8 1 1 A 26 26 LEU HA H 26 3.324 2.865 0.459 1
1 241 . 8 1 1 A 26 26 LEU C C 26 177.103 178.243 -1.140 1
1 242 . 8 1 1 A 26 26 LEU CA C 26 57.854 57.259 0.595 1
1 243 . 8 1 1 A 26 26 LEU CB C 26 40.350 41.463 -1.113 1
1 247 . 8 1 1 A 26 26 LEU N N 26 122.365 120.119 2.246 1
1 248 . 8 1 1 A 27 27 ILE H H 27 7.971 7.844 0.127 1
1 249 . 8 1 1 A 27 27 ILE HA H 27 3.725 3.693 0.032 1
1 259 . 8 1 1 A 27 27 ILE C C 27 178.803 178.220 0.583 1
1 260 . 8 1 1 A 27 27 ILE CA C 27 64.616 65.340 -0.724 1
1 261 . 8 1 1 A 27 27 ILE CB C 27 37.833 37.897 -0.064 1
1 265 . 8 1 1 A 27 27 ILE N N 27 118.447 119.777 -1.330 1
1 266 . 8 1 1 A 28 28 ILE H H 28 7.047 8.046 -0.999 1
1 267 . 8 1 1 A 28 28 ILE HA H 28 3.572 3.679 -0.107 1
1 277 . 8 1 1 A 28 28 ILE C C 28 178.591 178.348 0.243 1
1 278 . 8 1 1 A 28 28 ILE CA C 28 64.607 64.457 0.150 1
1 279 . 8 1 1 A 28 28 ILE CB C 28 38.385 36.731 1.654 1
1 283 . 8 1 1 A 28 28 ILE N N 28 118.309 120.468 -2.159 1
1 284 . 8 1 1 A 29 29 HIS H H 29 7.575 7.542 0.033 1
1 285 . 8 1 1 A 29 29 HIS HA H 29 4.116 4.138 -0.022 1
1 290 . 8 1 1 A 29 29 HIS C C 29 176.399 177.039 -0.640 1
1 291 . 8 1 1 A 29 29 HIS CA C 29 59.638 59.676 -0.038 1
1 292 . 8 1 1 A 29 29 HIS CB C 29 28.686 29.540 -0.854 1
1 295 . 8 1 1 A 29 29 HIS N N 29 120.367 120.432 -0.065 1
1 296 . 8 1 1 A 30 30 GLU H H 30 8.691 8.709 -0.018 1
1 297 . 8 1 1 A 30 30 GLU HA H 30 3.695 3.952 -0.257 1
1 302 . 8 1 1 A 30 30 GLU C C 30 178.190 179.279 -1.089 1
1 303 . 8 1 1 A 30 30 GLU CA C 30 60.106 60.088 0.018 1
1 304 . 8 1 1 A 30 30 GLU CB C 30 29.866 29.179 0.687 1
1 306 . 8 1 1 A 30 30 GLU N N 30 116.137 117.382 -1.245 1
1 307 . 8 1 1 A 31 31 ARG H H 31 7.138 8.037 -0.899 1
1 308 . 8 1 1 A 31 31 ARG HA H 31 4.178 4.188 -0.010 1
1 315 . 8 1 1 A 31 31 ARG C C 31 178.912 178.982 -0.070 1
1 316 . 8 1 1 A 31 31 ARG CA C 31 58.400 58.908 -0.508 1
1 317 . 8 1 1 A 31 31 ARG CB C 31 30.069 29.885 0.184 1
1 320 . 8 1 1 A 31 31 ARG N N 31 116.943 119.934 -2.991 1
1 321 . 8 1 1 A 32 32 ILE H H 32 7.978 7.819 0.159 1
1 322 . 8 1 1 A 32 32 ILE HA H 32 3.935 3.679 0.256 1
1 332 . 8 1 1 A 32 32 ILE C C 32 177.623 177.555 0.068 1
1 333 . 8 1 1 A 32 32 ILE CA C 32 63.351 63.838 -0.487 1
1 334 . 8 1 1 A 32 32 ILE CB C 32 37.667 37.083 0.584 1
1 338 . 8 1 1 A 32 32 ILE N N 32 117.036 117.513 -0.477 1
1 339 . 8 1 1 A 33 33 HIS H H 33 7.209 7.257 -0.048 1
1 340 . 8 1 1 A 33 33 HIS HA H 33 4.820 4.440 0.380 1
1 345 . 8 1 1 A 33 33 HIS C C 33 175.937 177.711 -1.774 1
1 346 . 8 1 1 A 33 33 HIS CA C 33 55.352 58.953 -3.601 1
1 347 . 8 1 1 A 33 33 HIS CB C 33 28.527 30.807 -2.280 1
1 350 . 8 1 1 A 33 33 HIS N N 33 117.235 120.834 -3.599 1
1 351 . 8 1 1 A 34 34 THR H H 34 7.749 8.362 -0.613 1
1 352 . 8 1 1 A 34 34 THR HA H 34 4.369 4.101 0.268 1
1 357 . 8 1 1 A 34 34 THR C C 34 175.653 175.969 -0.316 1
1 358 . 8 1 1 A 34 34 THR CA C 34 62.438 65.331 -2.893 1
1 359 . 8 1 1 A 34 34 THR CB C 34 69.975 68.292 1.683 1
1 361 . 8 1 1 A 34 34 THR N N 34 110.763 113.038 -2.275 1
1 362 . 8 1 1 A 35 35 GLY H H 35 8.174 7.788 0.386 1
1 363 . 8 1 1 A 35 35 GLY HA2 H 35 4.059 4.035 0.024 1
1 364 . 8 1 1 A 35 35 GLY HA3 H 35 3.950 4.045 -0.095 1
1 365 . 8 1 1 A 35 35 GLY C C 35 174.334 173.255 1.079 1
1 366 . 8 1 1 A 35 35 GLY CA C 35 45.450 44.494 0.956 1
1 367 . 8 1 1 A 35 35 GLY N N 35 110.516 110.918 -0.402 1
1 368 . 8 1 1 A 36 36 GLU H H 36 8.130 8.490 -0.360 1
1 369 . 8 1 1 A 36 36 GLU HA H 36 4.311 4.197 0.114 1
1 374 . 8 1 1 A 36 36 GLU C C 36 176.510 176.552 -0.042 1
1 375 . 8 1 1 A 36 36 GLU CA C 36 56.629 56.765 -0.136 1
1 376 . 8 1 1 A 36 36 GLU CB C 36 30.535 29.749 0.786 1
1 378 . 8 1 1 A 36 36 GLU N N 36 120.680 119.440 1.240 1
1 379 . 8 1 1 A 37 37 SER H H 37 8.391 8.682 -0.291 1
1 380 . 8 1 1 A 37 37 SER HA H 37 4.481 4.875 -0.394 1
1 383 . 8 1 1 A 37 37 SER C C 37 174.576 173.346 1.230 1
1 384 . 8 1 1 A 37 37 SER CA C 37 58.300 57.407 0.893 1
1 385 . 8 1 1 A 37 37 SER CB C 37 63.990 66.066 -2.076 1
1 386 . 8 1 1 A 37 37 SER N N 37 116.733 117.301 -0.568 1
1 387 . 8 1 1 A 38 38 GLY H H 38 8.240 8.609 -0.369 1
1 388 . 8 1 1 A 38 38 GLY HA2 H 38 4.158 4.057 0.101 1
1 389 . 8 1 1 A 38 38 GLY HA3 H 38 4.064 4.057 0.007 1
1 390 . 8 1 1 A 38 38 GLY C C 38 171.698 174.392 -2.694 1
1 391 . 8 1 1 A 38 38 GLY CA C 38 44.560 44.727 -0.167 1
1 392 . 8 1 1 A 38 38 GLY N N 38 110.538 108.346 2.192 1
1 393 . 8 1 1 A 39 39 PRO HA H 39 4.474 4.315 0.159 1
1 400 . 8 1 1 A 39 39 PRO C C 39 177.358 177.220 0.138 1
1 401 . 8 1 1 A 39 39 PRO CA C 39 63.172 65.307 -2.135 1
1 402 . 8 1 1 A 39 39 PRO CB C 39 32.197 31.649 0.548 1
1 405 . 8 1 1 A 40 40 SER H H 40 8.542 8.045 0.497 1
1 406 . 8 1 1 A 40 40 SER C C 40 174.651 172.976 1.675 1
1 407 . 8 1 1 A 40 40 SER CA C 40 58.452 58.995 -0.543 1
1 408 . 8 1 1 A 40 40 SER CB C 40 63.972 61.535 2.437 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.956 4.094 -0.138 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.956 4.097 -0.141 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.066 172.651 1.415 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.322 44.836 0.486 1
1 5 . 9 1 1 A 8 8 GLN H H 8 8.173 8.479 -0.306 1
1 6 . 9 1 1 A 8 8 GLN HA H 8 4.244 4.595 -0.351 1
1 13 . 9 1 1 A 8 8 GLN C C 8 176.010 175.201 0.809 1
1 14 . 9 1 1 A 8 8 GLN CA C 8 56.057 55.691 0.366 1
1 15 . 9 1 1 A 8 8 GLN CB C 8 29.452 29.484 -0.032 1
1 17 . 9 1 1 A 8 8 GLN N N 8 119.348 120.716 -1.368 1
1 19 . 9 1 1 A 9 9 LYS H H 9 8.307 8.449 -0.142 1
1 20 . 9 1 1 A 9 9 LYS HA H 9 4.522 5.035 -0.513 1
1 29 . 9 1 1 A 9 9 LYS C C 9 173.766 175.176 -1.410 1
1 30 . 9 1 1 A 9 9 LYS CA C 9 53.843 53.481 0.362 1
1 31 . 9 1 1 A 9 9 LYS CB C 9 33.164 33.309 -0.145 1
1 35 . 9 1 1 A 9 9 LYS N N 9 122.358 125.637 -3.279 1
1 36 . 9 1 1 A 10 10 PRO HA H 10 4.279 4.354 -0.075 1
1 43 . 9 1 1 A 10 10 PRO C C 10 176.401 176.092 0.309 1
1 44 . 9 1 1 A 10 10 PRO CA C 10 63.416 64.952 -1.536 1
1 45 . 9 1 1 A 10 10 PRO CB C 10 32.288 31.763 0.525 1
1 48 . 9 1 1 A 11 11 TYR H H 11 7.923 7.894 0.029 1
1 49 . 9 1 1 A 11 11 TYR HA H 11 4.623 4.674 -0.051 1
1 56 . 9 1 1 A 11 11 TYR C C 11 174.286 175.682 -1.396 1
1 57 . 9 1 1 A 11 11 TYR CA C 11 57.971 57.591 0.380 1
1 58 . 9 1 1 A 11 11 TYR CB C 11 38.024 37.553 0.471 1
1 63 . 9 1 1 A 11 11 TYR N N 11 119.366 117.718 1.648 1
1 64 . 9 1 1 A 12 12 VAL H H 12 8.401 8.580 -0.179 1
1 65 . 9 1 1 A 12 12 VAL HA H 12 4.579 4.911 -0.332 1
1 73 . 9 1 1 A 12 12 VAL C C 12 175.233 175.459 -0.226 1
1 74 . 9 1 1 A 12 12 VAL CA C 12 61.292 60.843 0.449 1
1 75 . 9 1 1 A 12 12 VAL CB C 12 34.524 34.342 0.182 1
1 78 . 9 1 1 A 12 12 VAL N N 12 125.266 124.865 0.401 1
1 79 . 9 1 1 A 13 13 CYS H H 13 9.209 9.333 -0.124 1
1 80 . 9 1 1 A 13 13 CYS HA H 13 4.594 4.630 -0.036 1
1 83 . 9 1 1 A 13 13 CYS C C 13 177.334 175.791 1.543 1
1 84 . 9 1 1 A 13 13 CYS CA C 13 59.708 59.702 0.006 1
1 85 . 9 1 1 A 13 13 CYS CB C 13 29.650 28.384 1.266 1
1 86 . 9 1 1 A 13 13 CYS N N 13 129.222 127.623 1.599 1
1 87 . 9 1 1 A 14 14 ASN H H 14 9.507 9.075 0.432 1
1 88 . 9 1 1 A 14 14 ASN HA H 14 4.511 4.740 -0.229 1
1 93 . 9 1 1 A 14 14 ASN C C 14 175.327 176.042 -0.715 1
1 94 . 9 1 1 A 14 14 ASN CA C 14 55.760 54.388 1.372 1
1 95 . 9 1 1 A 14 14 ASN CB C 14 38.946 38.698 0.248 1
1 96 . 9 1 1 A 14 14 ASN N N 14 130.952 126.298 4.654 1
1 98 . 9 1 1 A 15 15 GLU H H 15 8.759 7.981 0.778 1
1 99 . 9 1 1 A 15 15 GLU HA H 15 4.236 4.143 0.093 1
1 104 . 9 1 1 A 15 15 GLU C C 15 177.222 177.871 -0.649 1
1 105 . 9 1 1 A 15 15 GLU CA C 15 58.127 58.157 -0.030 1
1 106 . 9 1 1 A 15 15 GLU CB C 15 29.464 30.071 -0.607 1
1 108 . 9 1 1 A 15 15 GLU N N 15 120.367 117.604 2.763 1
1 109 . 9 1 1 A 16 16 CYS H H 16 8.075 8.035 0.040 1
1 110 . 9 1 1 A 16 16 CYS HA H 16 5.189 4.715 0.474 1
1 113 . 9 1 1 A 16 16 CYS C C 16 176.487 175.557 0.930 1
1 114 . 9 1 1 A 16 16 CYS CA C 16 58.273 59.332 -1.059 1
1 115 . 9 1 1 A 16 16 CYS CB C 16 32.589 30.296 2.293 1
1 116 . 9 1 1 A 16 16 CYS N N 16 115.028 115.094 -0.066 1
1 117 . 9 1 1 A 17 17 GLY H H 17 8.119 8.269 -0.150 1
1 118 . 9 1 1 A 17 17 GLY HA2 H 17 3.740 4.065 -0.325 1
1 119 . 9 1 1 A 17 17 GLY HA3 H 17 4.184 4.083 0.101 1
1 120 . 9 1 1 A 17 17 GLY C C 17 173.579 174.265 -0.686 1
1 121 . 9 1 1 A 17 17 GLY CA C 17 46.154 45.184 0.970 1
1 122 . 9 1 1 A 17 17 GLY N N 17 113.446 110.288 3.158 1
1 123 . 9 1 1 A 18 18 LYS H H 18 7.999 8.025 -0.026 1
1 124 . 9 1 1 A 18 18 LYS HA H 18 3.902 4.466 -0.564 1
1 133 . 9 1 1 A 18 18 LYS C C 18 173.431 175.753 -2.322 1
1 134 . 9 1 1 A 18 18 LYS CA C 18 58.308 55.201 3.107 1
1 135 . 9 1 1 A 18 18 LYS CB C 18 33.373 33.603 -0.230 1
1 139 . 9 1 1 A 18 18 LYS N N 18 123.594 121.887 1.707 1
1 140 . 9 1 1 A 19 19 ALA H H 19 7.690 8.609 -0.919 1
1 141 . 9 1 1 A 19 19 ALA HA H 19 5.156 5.496 -0.340 1
1 145 . 9 1 1 A 19 19 ALA C C 19 176.397 176.453 -0.056 1
1 146 . 9 1 1 A 19 19 ALA CA C 19 50.116 50.666 -0.550 1
1 147 . 9 1 1 A 19 19 ALA CB C 19 22.761 21.399 1.362 1
1 148 . 9 1 1 A 19 19 ALA N N 19 124.433 128.736 -4.303 1
1 149 . 9 1 1 A 20 20 PHE H H 20 8.988 9.232 -0.244 1
1 150 . 9 1 1 A 20 20 PHE HA H 20 4.671 4.953 -0.282 1
1 158 . 9 1 1 A 20 20 PHE C C 20 175.608 176.663 -1.055 1
1 159 . 9 1 1 A 20 20 PHE CA C 20 57.288 56.148 1.140 1
1 160 . 9 1 1 A 20 20 PHE CB C 20 43.643 40.765 2.878 1
1 166 . 9 1 1 A 20 20 PHE N N 20 117.426 117.920 -0.494 1
1 167 . 9 1 1 A 21 21 GLY H H 21 9.144 8.800 0.344 1
1 168 . 9 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 9 1 1 A 21 21 GLY HA3 H 21 4.380 3.989 0.391 1
1 170 . 9 1 1 A 21 21 GLY C C 21 173.415 174.369 -0.954 1
1 171 . 9 1 1 A 21 21 GLY CA C 21 46.269 47.457 -1.188 1
1 172 . 9 1 1 A 21 21 GLY N N 21 108.353 110.799 -2.446 1
1 173 . 9 1 1 A 22 22 LEU H H 22 7.492 7.834 -0.342 1
1 174 . 9 1 1 A 22 22 LEU HA H 22 4.888 4.798 0.090 1
1 184 . 9 1 1 A 22 22 LEU C C 22 176.995 176.677 0.318 1
1 185 . 9 1 1 A 22 22 LEU CA C 22 53.043 53.096 -0.053 1
1 186 . 9 1 1 A 22 22 LEU CB C 22 45.693 44.353 1.340 1
1 190 . 9 1 1 A 22 22 LEU N N 22 117.179 120.727 -3.548 1
1 191 . 9 1 1 A 23 23 LYS H H 23 8.346 8.391 -0.045 1
1 192 . 9 1 1 A 23 23 LYS HA H 23 3.000 2.672 0.328 1
1 201 . 9 1 1 A 23 23 LYS C C 23 178.113 177.686 0.427 1
1 202 . 9 1 1 A 23 23 LYS CA C 23 59.056 58.704 0.352 1
1 203 . 9 1 1 A 23 23 LYS CB C 23 31.452 32.125 -0.673 1
1 207 . 9 1 1 A 23 23 LYS N N 23 127.252 123.031 4.221 1
1 208 . 9 1 1 A 24 24 SER H H 24 8.360 7.865 0.495 1
1 209 . 9 1 1 A 24 24 SER HA H 24 3.865 3.984 -0.119 1
1 212 . 9 1 1 A 24 24 SER C C 24 176.854 177.039 -0.185 1
1 213 . 9 1 1 A 24 24 SER CA C 24 60.651 61.511 -0.860 1
1 214 . 9 1 1 A 24 24 SER CB C 24 61.315 62.980 -1.665 1
1 215 . 9 1 1 A 24 24 SER N N 24 111.653 113.518 -1.865 1
1 216 . 9 1 1 A 25 25 GLN H H 25 6.647 8.113 -1.466 1
1 217 . 9 1 1 A 25 25 GLN HA H 25 3.895 3.930 -0.035 1
1 224 . 9 1 1 A 25 25 GLN C C 25 178.428 177.884 0.544 1
1 225 . 9 1 1 A 25 25 GLN CA C 25 57.613 59.046 -1.433 1
1 226 . 9 1 1 A 25 25 GLN CB C 25 28.573 28.219 0.354 1
1 228 . 9 1 1 A 25 25 GLN N N 25 119.141 121.418 -2.277 1
1 230 . 9 1 1 A 26 26 LEU H H 26 6.992 7.738 -0.746 1
1 231 . 9 1 1 A 26 26 LEU HA H 26 3.324 2.729 0.595 1
1 241 . 9 1 1 A 26 26 LEU C C 26 177.103 178.196 -1.093 1
1 242 . 9 1 1 A 26 26 LEU CA C 26 57.854 57.073 0.781 1
1 243 . 9 1 1 A 26 26 LEU CB C 26 40.350 41.561 -1.211 1
1 247 . 9 1 1 A 26 26 LEU N N 26 122.365 120.147 2.218 1
1 248 . 9 1 1 A 27 27 ILE H H 27 7.971 7.722 0.249 1
1 249 . 9 1 1 A 27 27 ILE HA H 27 3.725 3.726 -0.001 1
1 259 . 9 1 1 A 27 27 ILE C C 27 178.803 178.072 0.731 1
1 260 . 9 1 1 A 27 27 ILE CA C 27 64.616 65.315 -0.699 1
1 261 . 9 1 1 A 27 27 ILE CB C 27 37.833 37.885 -0.052 1
1 265 . 9 1 1 A 27 27 ILE N N 27 118.447 119.348 -0.901 1
1 266 . 9 1 1 A 28 28 ILE H H 28 7.047 8.094 -1.047 1
1 267 . 9 1 1 A 28 28 ILE HA H 28 3.572 3.673 -0.101 1
1 277 . 9 1 1 A 28 28 ILE C C 28 178.591 178.346 0.245 1
1 278 . 9 1 1 A 28 28 ILE CA C 28 64.607 64.413 0.194 1
1 279 . 9 1 1 A 28 28 ILE CB C 28 38.385 36.969 1.416 1
1 283 . 9 1 1 A 28 28 ILE N N 28 118.309 120.632 -2.323 1
1 284 . 9 1 1 A 29 29 HIS H H 29 7.575 7.508 0.067 1
1 285 . 9 1 1 A 29 29 HIS HA H 29 4.116 4.216 -0.100 1
1 290 . 9 1 1 A 29 29 HIS C C 29 176.399 177.148 -0.749 1
1 291 . 9 1 1 A 29 29 HIS CA C 29 59.638 59.511 0.127 1
1 292 . 9 1 1 A 29 29 HIS CB C 29 28.686 29.599 -0.913 1
1 295 . 9 1 1 A 29 29 HIS N N 29 120.367 120.408 -0.041 1
1 296 . 9 1 1 A 30 30 GLU H H 30 8.691 8.717 -0.026 1
1 297 . 9 1 1 A 30 30 GLU HA H 30 3.695 3.947 -0.252 1
1 302 . 9 1 1 A 30 30 GLU C C 30 178.190 179.382 -1.192 1
1 303 . 9 1 1 A 30 30 GLU CA C 30 60.106 59.911 0.195 1
1 304 . 9 1 1 A 30 30 GLU CB C 30 29.866 29.331 0.535 1
1 306 . 9 1 1 A 30 30 GLU N N 30 116.137 117.372 -1.235 1
1 307 . 9 1 1 A 31 31 ARG H H 31 7.138 8.040 -0.902 1
1 308 . 9 1 1 A 31 31 ARG HA H 31 4.178 4.235 -0.057 1
1 315 . 9 1 1 A 31 31 ARG C C 31 178.912 178.942 -0.030 1
1 316 . 9 1 1 A 31 31 ARG CA C 31 58.400 58.979 -0.579 1
1 317 . 9 1 1 A 31 31 ARG CB C 31 30.069 29.882 0.187 1
1 320 . 9 1 1 A 31 31 ARG N N 31 116.943 119.659 -2.716 1
1 321 . 9 1 1 A 32 32 ILE H H 32 7.978 7.758 0.220 1
1 322 . 9 1 1 A 32 32 ILE HA H 32 3.935 3.669 0.266 1
1 332 . 9 1 1 A 32 32 ILE C C 32 177.623 177.622 0.001 1
1 333 . 9 1 1 A 32 32 ILE CA C 32 63.351 64.207 -0.856 1
1 334 . 9 1 1 A 32 32 ILE CB C 32 37.667 37.217 0.450 1
1 338 . 9 1 1 A 32 32 ILE N N 32 117.036 117.308 -0.272 1
1 339 . 9 1 1 A 33 33 HIS H H 33 7.209 7.290 -0.081 1
1 340 . 9 1 1 A 33 33 HIS HA H 33 4.820 4.442 0.378 1
1 345 . 9 1 1 A 33 33 HIS C C 33 175.937 178.220 -2.283 1
1 346 . 9 1 1 A 33 33 HIS CA C 33 55.352 59.121 -3.769 1
1 347 . 9 1 1 A 33 33 HIS CB C 33 28.527 30.698 -2.171 1
1 350 . 9 1 1 A 33 33 HIS N N 33 117.235 121.041 -3.806 1
1 351 . 9 1 1 A 34 34 THR H H 34 7.749 8.423 -0.674 1
1 352 . 9 1 1 A 34 34 THR HA H 34 4.369 4.119 0.250 1
1 357 . 9 1 1 A 34 34 THR C C 34 175.653 176.999 -1.346 1
1 358 . 9 1 1 A 34 34 THR CA C 34 62.438 65.473 -3.035 1
1 359 . 9 1 1 A 34 34 THR CB C 34 69.975 68.355 1.620 1
1 361 . 9 1 1 A 34 34 THR N N 34 110.763 113.530 -2.767 1
1 362 . 9 1 1 A 35 35 GLY H H 35 8.174 8.089 0.085 1
1 363 . 9 1 1 A 35 35 GLY HA2 H 35 4.059 3.712 0.347 1
1 364 . 9 1 1 A 35 35 GLY HA3 H 35 3.950 3.713 0.237 1
1 365 . 9 1 1 A 35 35 GLY C C 35 174.334 175.356 -1.022 1
1 366 . 9 1 1 A 35 35 GLY CA C 35 45.450 47.257 -1.807 1
1 367 . 9 1 1 A 35 35 GLY N N 35 110.516 111.005 -0.489 1
1 368 . 9 1 1 A 36 36 GLU H H 36 8.130 7.916 0.214 1
1 369 . 9 1 1 A 36 36 GLU HA H 36 4.311 4.248 0.063 1
1 374 . 9 1 1 A 36 36 GLU C C 36 176.510 177.180 -0.670 1
1 375 . 9 1 1 A 36 36 GLU CA C 36 56.629 55.733 0.896 1
1 376 . 9 1 1 A 36 36 GLU CB C 36 30.535 28.412 2.123 1
1 378 . 9 1 1 A 36 36 GLU N N 36 120.680 123.423 -2.743 1
1 379 . 9 1 1 A 37 37 SER H H 37 8.391 8.126 0.265 1
1 380 . 9 1 1 A 37 37 SER HA H 37 4.481 4.125 0.356 1
1 383 . 9 1 1 A 37 37 SER C C 37 174.576 174.077 0.499 1
1 384 . 9 1 1 A 37 37 SER CA C 37 58.300 58.951 -0.651 1
1 385 . 9 1 1 A 37 37 SER CB C 37 63.990 61.355 2.635 1
1 386 . 9 1 1 A 37 37 SER N N 37 116.733 114.453 2.280 1
1 387 . 9 1 1 A 38 38 GLY H H 38 8.240 7.616 0.624 1
1 388 . 9 1 1 A 38 38 GLY HA2 H 38 4.158 3.933 0.225 1
1 389 . 9 1 1 A 38 38 GLY HA3 H 38 4.064 3.946 0.118 1
1 390 . 9 1 1 A 38 38 GLY C C 38 171.698 173.303 -1.605 1
1 391 . 9 1 1 A 38 38 GLY CA C 38 44.560 45.393 -0.833 1
1 392 . 9 1 1 A 38 38 GLY N N 38 110.538 109.117 1.421 1
1 393 . 9 1 1 A 39 39 PRO HA H 39 4.474 4.509 -0.035 1
1 400 . 9 1 1 A 39 39 PRO C C 39 177.358 176.729 0.629 1
1 401 . 9 1 1 A 39 39 PRO CA C 39 63.172 62.627 0.545 1
1 402 . 9 1 1 A 39 39 PRO CB C 39 32.197 32.207 -0.010 1
1 405 . 9 1 1 A 40 40 SER H H 40 8.542 8.399 0.143 1
1 406 . 9 1 1 A 40 40 SER C C 40 174.651 174.992 -0.341 1
1 407 . 9 1 1 A 40 40 SER CA C 40 58.452 58.122 0.330 1
1 408 . 9 1 1 A 40 40 SER CB C 40 63.972 63.214 0.758 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.956 4.157 -0.201 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.956 4.158 -0.202 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.066 172.460 1.606 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.322 43.896 1.426 1
1 5 . 10 1 1 A 8 8 GLN H H 8 8.173 8.270 -0.097 1
1 6 . 10 1 1 A 8 8 GLN HA H 8 4.244 5.073 -0.829 1
1 13 . 10 1 1 A 8 8 GLN C C 8 176.010 175.000 1.010 1
1 14 . 10 1 1 A 8 8 GLN CA C 8 56.057 54.465 1.592 1
1 15 . 10 1 1 A 8 8 GLN CB C 8 29.452 32.319 -2.867 1
1 17 . 10 1 1 A 8 8 GLN N N 8 119.348 118.960 0.388 1
1 19 . 10 1 1 A 9 9 LYS H H 9 8.307 8.516 -0.209 1
1 20 . 10 1 1 A 9 9 LYS HA H 9 4.522 5.051 -0.529 1
1 29 . 10 1 1 A 9 9 LYS C C 9 173.766 175.271 -1.505 1
1 30 . 10 1 1 A 9 9 LYS CA C 9 53.843 53.478 0.365 1
1 31 . 10 1 1 A 9 9 LYS CB C 9 33.164 33.480 -0.316 1
1 35 . 10 1 1 A 9 9 LYS N N 9 122.358 123.648 -1.290 1
1 36 . 10 1 1 A 10 10 PRO HA H 10 4.279 4.293 -0.014 1
1 43 . 10 1 1 A 10 10 PRO C C 10 176.401 175.952 0.449 1
1 44 . 10 1 1 A 10 10 PRO CA C 10 63.416 65.018 -1.602 1
1 45 . 10 1 1 A 10 10 PRO CB C 10 32.288 31.782 0.506 1
1 48 . 10 1 1 A 11 11 TYR H H 11 7.923 7.904 0.019 1
1 49 . 10 1 1 A 11 11 TYR HA H 11 4.623 4.667 -0.044 1
1 56 . 10 1 1 A 11 11 TYR C C 11 174.286 175.895 -1.609 1
1 57 . 10 1 1 A 11 11 TYR CA C 11 57.971 57.770 0.201 1
1 58 . 10 1 1 A 11 11 TYR CB C 11 38.024 37.849 0.175 1
1 63 . 10 1 1 A 11 11 TYR N N 11 119.366 117.947 1.419 1
1 64 . 10 1 1 A 12 12 VAL H H 12 8.401 9.055 -0.654 1
1 65 . 10 1 1 A 12 12 VAL HA H 12 4.579 4.824 -0.245 1
1 73 . 10 1 1 A 12 12 VAL C C 12 175.233 175.454 -0.221 1
1 74 . 10 1 1 A 12 12 VAL CA C 12 61.292 60.790 0.502 1
1 75 . 10 1 1 A 12 12 VAL CB C 12 34.524 34.530 -0.006 1
1 78 . 10 1 1 A 12 12 VAL N N 12 125.266 124.194 1.072 1
1 79 . 10 1 1 A 13 13 CYS H H 13 9.209 9.316 -0.107 1
1 80 . 10 1 1 A 13 13 CYS HA H 13 4.594 4.655 -0.061 1
1 83 . 10 1 1 A 13 13 CYS C C 13 177.334 175.999 1.335 1
1 84 . 10 1 1 A 13 13 CYS CA C 13 59.708 59.762 -0.054 1
1 85 . 10 1 1 A 13 13 CYS CB C 13 29.650 28.537 1.113 1
1 86 . 10 1 1 A 13 13 CYS N N 13 129.222 127.887 1.335 1
1 87 . 10 1 1 A 14 14 ASN H H 14 9.507 9.074 0.433 1
1 88 . 10 1 1 A 14 14 ASN HA H 14 4.511 4.709 -0.198 1
1 93 . 10 1 1 A 14 14 ASN C C 14 175.327 176.091 -0.764 1
1 94 . 10 1 1 A 14 14 ASN CA C 14 55.760 54.998 0.762 1
1 95 . 10 1 1 A 14 14 ASN CB C 14 38.946 38.346 0.600 1
1 96 . 10 1 1 A 14 14 ASN N N 14 130.952 126.397 4.555 1
1 98 . 10 1 1 A 15 15 GLU H H 15 8.759 7.966 0.793 1
1 99 . 10 1 1 A 15 15 GLU HA H 15 4.236 4.127 0.109 1
1 104 . 10 1 1 A 15 15 GLU C C 15 177.222 177.868 -0.646 1
1 105 . 10 1 1 A 15 15 GLU CA C 15 58.127 58.239 -0.112 1
1 106 . 10 1 1 A 15 15 GLU CB C 15 29.464 29.953 -0.489 1
1 108 . 10 1 1 A 15 15 GLU N N 15 120.367 117.853 2.514 1
1 109 . 10 1 1 A 16 16 CYS H H 16 8.075 8.040 0.035 1
1 110 . 10 1 1 A 16 16 CYS HA H 16 5.189 4.712 0.477 1
1 113 . 10 1 1 A 16 16 CYS C C 16 176.487 175.607 0.880 1
1 114 . 10 1 1 A 16 16 CYS CA C 16 58.273 59.285 -1.012 1
1 115 . 10 1 1 A 16 16 CYS CB C 16 32.589 30.422 2.167 1
1 116 . 10 1 1 A 16 16 CYS N N 16 115.028 115.203 -0.175 1
1 117 . 10 1 1 A 17 17 GLY H H 17 8.119 8.300 -0.181 1
1 118 . 10 1 1 A 17 17 GLY HA2 H 17 3.740 4.054 -0.314 1
1 119 . 10 1 1 A 17 17 GLY HA3 H 17 4.184 4.069 0.115 1
1 120 . 10 1 1 A 17 17 GLY C C 17 173.579 174.228 -0.649 1
1 121 . 10 1 1 A 17 17 GLY CA C 17 46.154 45.188 0.966 1
1 122 . 10 1 1 A 17 17 GLY N N 17 113.446 110.294 3.152 1
1 123 . 10 1 1 A 18 18 LYS H H 18 7.999 7.583 0.416 1
1 124 . 10 1 1 A 18 18 LYS HA H 18 3.902 4.444 -0.542 1
1 133 . 10 1 1 A 18 18 LYS C C 18 173.431 175.761 -2.330 1
1 134 . 10 1 1 A 18 18 LYS CA C 18 58.308 55.193 3.115 1
1 135 . 10 1 1 A 18 18 LYS CB C 18 33.373 33.389 -0.016 1
1 139 . 10 1 1 A 18 18 LYS N N 18 123.594 121.970 1.624 1
1 140 . 10 1 1 A 19 19 ALA H H 19 7.690 8.589 -0.899 1
1 141 . 10 1 1 A 19 19 ALA HA H 19 5.156 5.643 -0.487 1
1 145 . 10 1 1 A 19 19 ALA C C 19 176.397 176.226 0.171 1
1 146 . 10 1 1 A 19 19 ALA CA C 19 50.116 50.818 -0.702 1
1 147 . 10 1 1 A 19 19 ALA CB C 19 22.761 21.332 1.429 1
1 148 . 10 1 1 A 19 19 ALA N N 19 124.433 128.859 -4.426 1
1 149 . 10 1 1 A 20 20 PHE H H 20 8.988 9.245 -0.257 1
1 150 . 10 1 1 A 20 20 PHE HA H 20 4.671 4.888 -0.217 1
1 158 . 10 1 1 A 20 20 PHE C C 20 175.608 176.572 -0.964 1
1 159 . 10 1 1 A 20 20 PHE CA C 20 57.288 56.410 0.878 1
1 160 . 10 1 1 A 20 20 PHE CB C 20 43.643 41.170 2.473 1
1 166 . 10 1 1 A 20 20 PHE N N 20 117.426 117.301 0.125 1
1 167 . 10 1 1 A 21 21 GLY H H 21 9.144 8.803 0.341 1
1 168 . 10 1 1 A 21 21 GLY HA2 H 21 4.066 3.933 0.133 1
1 169 . 10 1 1 A 21 21 GLY HA3 H 21 4.380 3.986 0.394 1
1 170 . 10 1 1 A 21 21 GLY C C 21 173.415 174.245 -0.830 1
1 171 . 10 1 1 A 21 21 GLY CA C 21 46.269 47.231 -0.962 1
1 172 . 10 1 1 A 21 21 GLY N N 21 108.353 110.898 -2.545 1
1 173 . 10 1 1 A 22 22 LEU H H 22 7.492 7.840 -0.348 1
1 174 . 10 1 1 A 22 22 LEU HA H 22 4.888 4.843 0.045 1
1 184 . 10 1 1 A 22 22 LEU C C 22 176.995 176.635 0.360 1
1 185 . 10 1 1 A 22 22 LEU CA C 22 53.043 53.192 -0.149 1
1 186 . 10 1 1 A 22 22 LEU CB C 22 45.693 44.707 0.986 1
1 190 . 10 1 1 A 22 22 LEU N N 22 117.179 120.895 -3.716 1
1 191 . 10 1 1 A 23 23 LYS H H 23 8.346 8.416 -0.070 1
1 192 . 10 1 1 A 23 23 LYS HA H 23 3.000 2.529 0.471 1
1 201 . 10 1 1 A 23 23 LYS C C 23 178.113 177.711 0.402 1
1 202 . 10 1 1 A 23 23 LYS CA C 23 59.056 58.717 0.339 1
1 203 . 10 1 1 A 23 23 LYS CB C 23 31.452 32.325 -0.873 1
1 207 . 10 1 1 A 23 23 LYS N N 23 127.252 123.129 4.123 1
1 208 . 10 1 1 A 24 24 SER H H 24 8.360 7.920 0.440 1
1 209 . 10 1 1 A 24 24 SER HA H 24 3.865 3.987 -0.122 1
1 212 . 10 1 1 A 24 24 SER C C 24 176.854 177.030 -0.176 1
1 213 . 10 1 1 A 24 24 SER CA C 24 60.651 61.520 -0.869 1
1 214 . 10 1 1 A 24 24 SER CB C 24 61.315 62.948 -1.633 1
1 215 . 10 1 1 A 24 24 SER N N 24 111.653 113.372 -1.719 1
1 216 . 10 1 1 A 25 25 GLN H H 25 6.647 8.173 -1.526 1
1 217 . 10 1 1 A 25 25 GLN HA H 25 3.895 3.897 -0.002 1
1 224 . 10 1 1 A 25 25 GLN C C 25 178.428 177.670 0.758 1
1 225 . 10 1 1 A 25 25 GLN CA C 25 57.613 58.871 -1.258 1
1 226 . 10 1 1 A 25 25 GLN CB C 25 28.573 28.238 0.335 1
1 228 . 10 1 1 A 25 25 GLN N N 25 119.141 121.378 -2.237 1
1 230 . 10 1 1 A 26 26 LEU H H 26 6.992 7.759 -0.767 1
1 231 . 10 1 1 A 26 26 LEU HA H 26 3.324 2.788 0.536 1
1 241 . 10 1 1 A 26 26 LEU C C 26 177.103 178.275 -1.172 1
1 242 . 10 1 1 A 26 26 LEU CA C 26 57.854 56.970 0.884 1
1 243 . 10 1 1 A 26 26 LEU CB C 26 40.350 41.589 -1.239 1
1 247 . 10 1 1 A 26 26 LEU N N 26 122.365 120.028 2.337 1
1 248 . 10 1 1 A 27 27 ILE H H 27 7.971 7.789 0.182 1
1 249 . 10 1 1 A 27 27 ILE HA H 27 3.725 3.711 0.014 1
1 259 . 10 1 1 A 27 27 ILE C C 27 178.803 178.197 0.606 1
1 260 . 10 1 1 A 27 27 ILE CA C 27 64.616 65.350 -0.734 1
1 261 . 10 1 1 A 27 27 ILE CB C 27 37.833 37.936 -0.103 1
1 265 . 10 1 1 A 27 27 ILE N N 27 118.447 119.731 -1.284 1
1 266 . 10 1 1 A 28 28 ILE H H 28 7.047 8.098 -1.051 1
1 267 . 10 1 1 A 28 28 ILE HA H 28 3.572 3.688 -0.116 1
1 277 . 10 1 1 A 28 28 ILE C C 28 178.591 178.335 0.256 1
1 278 . 10 1 1 A 28 28 ILE CA C 28 64.607 64.362 0.245 1
1 279 . 10 1 1 A 28 28 ILE CB C 28 38.385 36.702 1.683 1
1 283 . 10 1 1 A 28 28 ILE N N 28 118.309 120.773 -2.464 1
1 284 . 10 1 1 A 29 29 HIS H H 29 7.575 7.520 0.055 1
1 285 . 10 1 1 A 29 29 HIS HA H 29 4.116 4.198 -0.082 1
1 290 . 10 1 1 A 29 29 HIS C C 29 176.399 177.373 -0.974 1
1 291 . 10 1 1 A 29 29 HIS CA C 29 59.638 59.703 -0.065 1
1 292 . 10 1 1 A 29 29 HIS CB C 29 28.686 29.859 -1.173 1
1 295 . 10 1 1 A 29 29 HIS N N 29 120.367 120.424 -0.057 1
1 296 . 10 1 1 A 30 30 GLU H H 30 8.691 8.804 -0.113 1
1 297 . 10 1 1 A 30 30 GLU HA H 30 3.695 3.993 -0.298 1
1 302 . 10 1 1 A 30 30 GLU C C 30 178.190 179.397 -1.207 1
1 303 . 10 1 1 A 30 30 GLU CA C 30 60.106 59.952 0.154 1
1 304 . 10 1 1 A 30 30 GLU CB C 30 29.866 29.233 0.633 1
1 306 . 10 1 1 A 30 30 GLU N N 30 116.137 117.480 -1.343 1
1 307 . 10 1 1 A 31 31 ARG H H 31 7.138 7.951 -0.813 1
1 308 . 10 1 1 A 31 31 ARG HA H 31 4.178 4.133 0.045 1
1 315 . 10 1 1 A 31 31 ARG C C 31 178.912 178.957 -0.045 1
1 316 . 10 1 1 A 31 31 ARG CA C 31 58.400 58.981 -0.581 1
1 317 . 10 1 1 A 31 31 ARG CB C 31 30.069 29.782 0.287 1
1 320 . 10 1 1 A 31 31 ARG N N 31 116.943 119.711 -2.768 1
1 321 . 10 1 1 A 32 32 ILE H H 32 7.978 7.616 0.362 1
1 322 . 10 1 1 A 32 32 ILE HA H 32 3.935 3.729 0.206 1
1 332 . 10 1 1 A 32 32 ILE C C 32 177.623 177.095 0.528 1
1 333 . 10 1 1 A 32 32 ILE CA C 32 63.351 63.566 -0.215 1
1 334 . 10 1 1 A 32 32 ILE CB C 32 37.667 37.000 0.667 1
1 338 . 10 1 1 A 32 32 ILE N N 32 117.036 116.831 0.205 1
1 339 . 10 1 1 A 33 33 HIS H H 33 7.209 7.564 -0.355 1
1 340 . 10 1 1 A 33 33 HIS HA H 33 4.820 4.501 0.319 1
1 345 . 10 1 1 A 33 33 HIS C C 33 175.937 177.621 -1.684 1
1 346 . 10 1 1 A 33 33 HIS CA C 33 55.352 57.688 -2.336 1
1 347 . 10 1 1 A 33 33 HIS CB C 33 28.527 30.970 -2.443 1
1 350 . 10 1 1 A 33 33 HIS N N 33 117.235 120.097 -2.862 1
1 351 . 10 1 1 A 34 34 THR H H 34 7.749 8.515 -0.766 1
1 352 . 10 1 1 A 34 34 THR HA H 34 4.369 4.101 0.268 1
1 357 . 10 1 1 A 34 34 THR C C 34 175.653 176.931 -1.278 1
1 358 . 10 1 1 A 34 34 THR CA C 34 62.438 65.365 -2.927 1
1 359 . 10 1 1 A 34 34 THR CB C 34 69.975 68.363 1.612 1
1 361 . 10 1 1 A 34 34 THR N N 34 110.763 113.749 -2.986 1
1 362 . 10 1 1 A 35 35 GLY H H 35 8.174 7.860 0.314 1
1 363 . 10 1 1 A 35 35 GLY HA2 H 35 4.059 3.700 0.359 1
1 364 . 10 1 1 A 35 35 GLY HA3 H 35 3.950 3.706 0.244 1
1 365 . 10 1 1 A 35 35 GLY C C 35 174.334 174.403 -0.069 1
1 366 . 10 1 1 A 35 35 GLY CA C 35 45.450 46.777 -1.327 1
1 367 . 10 1 1 A 35 35 GLY N N 35 110.516 110.434 0.082 1
1 368 . 10 1 1 A 36 36 GLU H H 36 8.130 7.885 0.245 1
1 369 . 10 1 1 A 36 36 GLU HA H 36 4.311 4.774 -0.463 1
1 374 . 10 1 1 A 36 36 GLU C C 36 176.510 175.477 1.033 1
1 375 . 10 1 1 A 36 36 GLU CA C 36 56.629 55.839 0.790 1
1 376 . 10 1 1 A 36 36 GLU CB C 36 30.535 30.867 -0.332 1
1 378 . 10 1 1 A 36 36 GLU N N 36 120.680 119.178 1.502 1
1 379 . 10 1 1 A 37 37 SER H H 37 8.391 8.623 -0.232 1
1 380 . 10 1 1 A 37 37 SER HA H 37 4.481 4.898 -0.417 1
1 383 . 10 1 1 A 37 37 SER C C 37 174.576 173.357 1.219 1
1 384 . 10 1 1 A 37 37 SER CA C 37 58.300 57.386 0.914 1
1 385 . 10 1 1 A 37 37 SER CB C 37 63.990 66.085 -2.095 1
1 386 . 10 1 1 A 37 37 SER N N 37 116.733 117.236 -0.503 1
1 387 . 10 1 1 A 38 38 GLY H H 38 8.240 8.654 -0.414 1
1 388 . 10 1 1 A 38 38 GLY HA2 H 38 4.158 4.045 0.113 1
1 389 . 10 1 1 A 38 38 GLY HA3 H 38 4.064 4.045 0.019 1
1 390 . 10 1 1 A 38 38 GLY C C 38 171.698 174.292 -2.594 1
1 391 . 10 1 1 A 38 38 GLY CA C 38 44.560 44.739 -0.179 1
1 392 . 10 1 1 A 38 38 GLY N N 38 110.538 115.033 -4.495 1
1 393 . 10 1 1 A 39 39 PRO HA H 39 4.474 4.487 -0.013 1
1 400 . 10 1 1 A 39 39 PRO C C 39 177.358 177.180 0.178 1
1 401 . 10 1 1 A 39 39 PRO CA C 39 63.172 64.051 -0.879 1
1 402 . 10 1 1 A 39 39 PRO CB C 39 32.197 31.788 0.409 1
1 405 . 10 1 1 A 40 40 SER H H 40 8.542 8.040 0.502 1
1 406 . 10 1 1 A 40 40 SER C C 40 174.651 173.486 1.165 1
1 407 . 10 1 1 A 40 40 SER CA C 40 58.452 57.380 1.072 1
1 408 . 10 1 1 A 40 40 SER CB C 40 63.972 62.922 1.050 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.956 3.952 0.004 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.956 3.959 -0.003 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.066 173.176 0.890 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.322 44.883 0.439 1
1 5 . 11 1 1 A 8 8 GLN H H 8 8.173 8.321 -0.148 1
1 6 . 11 1 1 A 8 8 GLN HA H 8 4.244 5.122 -0.878 1
1 13 . 11 1 1 A 8 8 GLN C C 8 176.010 174.329 1.681 1
1 14 . 11 1 1 A 8 8 GLN CA C 8 56.057 54.098 1.959 1
1 15 . 11 1 1 A 8 8 GLN CB C 8 29.452 31.914 -2.462 1
1 17 . 11 1 1 A 8 8 GLN N N 8 119.348 117.255 2.093 1
1 19 . 11 1 1 A 9 9 LYS H H 9 8.307 8.512 -0.205 1
1 20 . 11 1 1 A 9 9 LYS HA H 9 4.522 5.028 -0.506 1
1 29 . 11 1 1 A 9 9 LYS C C 9 173.766 175.250 -1.484 1
1 30 . 11 1 1 A 9 9 LYS CA C 9 53.843 53.016 0.827 1
1 31 . 11 1 1 A 9 9 LYS CB C 9 33.164 34.317 -1.153 1
1 35 . 11 1 1 A 9 9 LYS N N 9 122.358 122.524 -0.166 1
1 36 . 11 1 1 A 10 10 PRO HA H 10 4.279 4.298 -0.019 1
1 43 . 11 1 1 A 10 10 PRO C C 10 176.401 175.984 0.417 1
1 44 . 11 1 1 A 10 10 PRO CA C 10 63.416 65.055 -1.639 1
1 45 . 11 1 1 A 10 10 PRO CB C 10 32.288 31.803 0.485 1
1 48 . 11 1 1 A 11 11 TYR H H 11 7.923 7.887 0.036 1
1 49 . 11 1 1 A 11 11 TYR HA H 11 4.623 4.650 -0.027 1
1 56 . 11 1 1 A 11 11 TYR C C 11 174.286 175.744 -1.458 1
1 57 . 11 1 1 A 11 11 TYR CA C 11 57.971 57.861 0.110 1
1 58 . 11 1 1 A 11 11 TYR CB C 11 38.024 37.785 0.239 1
1 63 . 11 1 1 A 11 11 TYR N N 11 119.366 117.843 1.523 1
1 64 . 11 1 1 A 12 12 VAL H H 12 8.401 8.604 -0.203 1
1 65 . 11 1 1 A 12 12 VAL HA H 12 4.579 4.839 -0.260 1
1 73 . 11 1 1 A 12 12 VAL C C 12 175.233 175.591 -0.358 1
1 74 . 11 1 1 A 12 12 VAL CA C 12 61.292 60.759 0.533 1
1 75 . 11 1 1 A 12 12 VAL CB C 12 34.524 34.267 0.257 1
1 78 . 11 1 1 A 12 12 VAL N N 12 125.266 124.643 0.623 1
1 79 . 11 1 1 A 13 13 CYS H H 13 9.209 9.286 -0.077 1
1 80 . 11 1 1 A 13 13 CYS HA H 13 4.594 4.579 0.015 1
1 83 . 11 1 1 A 13 13 CYS C C 13 177.334 175.689 1.645 1
1 84 . 11 1 1 A 13 13 CYS CA C 13 59.708 59.866 -0.158 1
1 85 . 11 1 1 A 13 13 CYS CB C 13 29.650 28.636 1.014 1
1 86 . 11 1 1 A 13 13 CYS N N 13 129.222 127.851 1.371 1
1 87 . 11 1 1 A 14 14 ASN H H 14 9.507 9.175 0.332 1
1 88 . 11 1 1 A 14 14 ASN HA H 14 4.511 4.801 -0.290 1
1 93 . 11 1 1 A 14 14 ASN C C 14 175.327 175.900 -0.573 1
1 94 . 11 1 1 A 14 14 ASN CA C 14 55.760 54.185 1.575 1
1 95 . 11 1 1 A 14 14 ASN CB C 14 38.946 38.616 0.330 1
1 96 . 11 1 1 A 14 14 ASN N N 14 130.952 126.209 4.743 1
1 98 . 11 1 1 A 15 15 GLU H H 15 8.759 7.979 0.780 1
1 99 . 11 1 1 A 15 15 GLU HA H 15 4.236 4.210 0.026 1
1 104 . 11 1 1 A 15 15 GLU C C 15 177.222 177.961 -0.739 1
1 105 . 11 1 1 A 15 15 GLU CA C 15 58.127 58.030 0.097 1
1 106 . 11 1 1 A 15 15 GLU CB C 15 29.464 30.053 -0.589 1
1 108 . 11 1 1 A 15 15 GLU N N 15 120.367 117.589 2.778 1
1 109 . 11 1 1 A 16 16 CYS H H 16 8.075 8.055 0.020 1
1 110 . 11 1 1 A 16 16 CYS HA H 16 5.189 4.693 0.496 1
1 113 . 11 1 1 A 16 16 CYS C C 16 176.487 175.636 0.851 1
1 114 . 11 1 1 A 16 16 CYS CA C 16 58.273 59.275 -1.002 1
1 115 . 11 1 1 A 16 16 CYS CB C 16 32.589 30.423 2.166 1
1 116 . 11 1 1 A 16 16 CYS N N 16 115.028 115.055 -0.027 1
1 117 . 11 1 1 A 17 17 GLY H H 17 8.119 8.352 -0.233 1
1 118 . 11 1 1 A 17 17 GLY HA2 H 17 3.740 4.053 -0.313 1
1 119 . 11 1 1 A 17 17 GLY HA3 H 17 4.184 4.071 0.113 1
1 120 . 11 1 1 A 17 17 GLY C C 17 173.579 174.374 -0.795 1
1 121 . 11 1 1 A 17 17 GLY CA C 17 46.154 45.242 0.912 1
1 122 . 11 1 1 A 17 17 GLY N N 17 113.446 110.311 3.135 1
1 123 . 11 1 1 A 18 18 LYS H H 18 7.999 7.617 0.382 1
1 124 . 11 1 1 A 18 18 LYS HA H 18 3.902 4.342 -0.440 1
1 133 . 11 1 1 A 18 18 LYS C C 18 173.431 175.882 -2.451 1
1 134 . 11 1 1 A 18 18 LYS CA C 18 58.308 55.642 2.666 1
1 135 . 11 1 1 A 18 18 LYS CB C 18 33.373 33.277 0.096 1
1 139 . 11 1 1 A 18 18 LYS N N 18 123.594 122.159 1.435 1
1 140 . 11 1 1 A 19 19 ALA H H 19 7.690 8.594 -0.904 1
1 141 . 11 1 1 A 19 19 ALA HA H 19 5.156 5.594 -0.438 1
1 145 . 11 1 1 A 19 19 ALA C C 19 176.397 176.255 0.142 1
1 146 . 11 1 1 A 19 19 ALA CA C 19 50.116 50.663 -0.547 1
1 147 . 11 1 1 A 19 19 ALA CB C 19 22.761 21.413 1.348 1
1 148 . 11 1 1 A 19 19 ALA N N 19 124.433 128.971 -4.538 1
1 149 . 11 1 1 A 20 20 PHE H H 20 8.988 9.281 -0.293 1
1 150 . 11 1 1 A 20 20 PHE HA H 20 4.671 4.998 -0.327 1
1 158 . 11 1 1 A 20 20 PHE C C 20 175.608 176.654 -1.046 1
1 159 . 11 1 1 A 20 20 PHE CA C 20 57.288 56.095 1.193 1
1 160 . 11 1 1 A 20 20 PHE CB C 20 43.643 40.959 2.684 1
1 166 . 11 1 1 A 20 20 PHE N N 20 117.426 117.921 -0.495 1
1 167 . 11 1 1 A 21 21 GLY H H 21 9.144 8.797 0.347 1
1 168 . 11 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 11 1 1 A 21 21 GLY HA3 H 21 4.380 3.988 0.392 1
1 170 . 11 1 1 A 21 21 GLY C C 21 173.415 174.358 -0.943 1
1 171 . 11 1 1 A 21 21 GLY CA C 21 46.269 47.449 -1.180 1
1 172 . 11 1 1 A 21 21 GLY N N 21 108.353 110.920 -2.567 1
1 173 . 11 1 1 A 22 22 LEU H H 22 7.492 7.857 -0.365 1
1 174 . 11 1 1 A 22 22 LEU HA H 22 4.888 4.816 0.072 1
1 184 . 11 1 1 A 22 22 LEU C C 22 176.995 176.581 0.414 1
1 185 . 11 1 1 A 22 22 LEU CA C 22 53.043 53.174 -0.131 1
1 186 . 11 1 1 A 22 22 LEU CB C 22 45.693 44.456 1.237 1
1 190 . 11 1 1 A 22 22 LEU N N 22 117.179 120.865 -3.686 1
1 191 . 11 1 1 A 23 23 LYS H H 23 8.346 8.421 -0.075 1
1 192 . 11 1 1 A 23 23 LYS HA H 23 3.000 2.552 0.448 1
1 201 . 11 1 1 A 23 23 LYS C C 23 178.113 178.071 0.042 1
1 202 . 11 1 1 A 23 23 LYS CA C 23 59.056 58.647 0.409 1
1 203 . 11 1 1 A 23 23 LYS CB C 23 31.452 31.977 -0.525 1
1 207 . 11 1 1 A 23 23 LYS N N 23 127.252 123.037 4.215 1
1 208 . 11 1 1 A 24 24 SER H H 24 8.360 8.205 0.155 1
1 209 . 11 1 1 A 24 24 SER HA H 24 3.865 3.974 -0.109 1
1 212 . 11 1 1 A 24 24 SER C C 24 176.854 176.487 0.367 1
1 213 . 11 1 1 A 24 24 SER CA C 24 60.651 61.919 -1.268 1
1 214 . 11 1 1 A 24 24 SER CB C 24 61.315 63.043 -1.728 1
1 215 . 11 1 1 A 24 24 SER N N 24 111.653 115.661 -4.008 1
1 216 . 11 1 1 A 25 25 GLN H H 25 6.647 8.095 -1.448 1
1 217 . 11 1 1 A 25 25 GLN HA H 25 3.895 3.950 -0.055 1
1 224 . 11 1 1 A 25 25 GLN C C 25 178.428 177.798 0.630 1
1 225 . 11 1 1 A 25 25 GLN CA C 25 57.613 58.960 -1.347 1
1 226 . 11 1 1 A 25 25 GLN CB C 25 28.573 28.216 0.357 1
1 228 . 11 1 1 A 25 25 GLN N N 25 119.141 121.222 -2.081 1
1 230 . 11 1 1 A 26 26 LEU H H 26 6.992 7.596 -0.604 1
1 231 . 11 1 1 A 26 26 LEU HA H 26 3.324 2.757 0.567 1
1 241 . 11 1 1 A 26 26 LEU C C 26 177.103 178.295 -1.192 1
1 242 . 11 1 1 A 26 26 LEU CA C 26 57.854 57.055 0.799 1
1 243 . 11 1 1 A 26 26 LEU CB C 26 40.350 41.695 -1.345 1
1 247 . 11 1 1 A 26 26 LEU N N 26 122.365 120.088 2.277 1
1 248 . 11 1 1 A 27 27 ILE H H 27 7.971 7.762 0.209 1
1 249 . 11 1 1 A 27 27 ILE HA H 27 3.725 3.776 -0.051 1
1 259 . 11 1 1 A 27 27 ILE C C 27 178.803 178.093 0.710 1
1 260 . 11 1 1 A 27 27 ILE CA C 27 64.616 65.368 -0.752 1
1 261 . 11 1 1 A 27 27 ILE CB C 27 37.833 37.795 0.038 1
1 265 . 11 1 1 A 27 27 ILE N N 27 118.447 119.007 -0.560 1
1 266 . 11 1 1 A 28 28 ILE H H 28 7.047 8.012 -0.965 1
1 267 . 11 1 1 A 28 28 ILE HA H 28 3.572 3.682 -0.110 1
1 277 . 11 1 1 A 28 28 ILE C C 28 178.591 178.340 0.251 1
1 278 . 11 1 1 A 28 28 ILE CA C 28 64.607 64.365 0.242 1
1 279 . 11 1 1 A 28 28 ILE CB C 28 38.385 36.762 1.623 1
1 283 . 11 1 1 A 28 28 ILE N N 28 118.309 120.457 -2.148 1
1 284 . 11 1 1 A 29 29 HIS H H 29 7.575 7.508 0.067 1
1 285 . 11 1 1 A 29 29 HIS HA H 29 4.116 4.208 -0.092 1
1 290 . 11 1 1 A 29 29 HIS C C 29 176.399 177.376 -0.977 1
1 291 . 11 1 1 A 29 29 HIS CA C 29 59.638 59.521 0.117 1
1 292 . 11 1 1 A 29 29 HIS CB C 29 28.686 29.713 -1.027 1
1 295 . 11 1 1 A 29 29 HIS N N 29 120.367 120.419 -0.052 1
1 296 . 11 1 1 A 30 30 GLU H H 30 8.691 8.782 -0.091 1
1 297 . 11 1 1 A 30 30 GLU HA H 30 3.695 3.931 -0.236 1
1 302 . 11 1 1 A 30 30 GLU C C 30 178.190 179.104 -0.914 1
1 303 . 11 1 1 A 30 30 GLU CA C 30 60.106 59.929 0.177 1
1 304 . 11 1 1 A 30 30 GLU CB C 30 29.866 29.158 0.708 1
1 306 . 11 1 1 A 30 30 GLU N N 30 116.137 117.604 -1.467 1
1 307 . 11 1 1 A 31 31 ARG H H 31 7.138 7.911 -0.773 1
1 308 . 11 1 1 A 31 31 ARG HA H 31 4.178 4.172 0.006 1
1 315 . 11 1 1 A 31 31 ARG C C 31 178.912 179.036 -0.124 1
1 316 . 11 1 1 A 31 31 ARG CA C 31 58.400 58.781 -0.381 1
1 317 . 11 1 1 A 31 31 ARG CB C 31 30.069 29.916 0.153 1
1 320 . 11 1 1 A 31 31 ARG N N 31 116.943 119.518 -2.575 1
1 321 . 11 1 1 A 32 32 ILE H H 32 7.978 7.644 0.334 1
1 322 . 11 1 1 A 32 32 ILE HA H 32 3.935 3.698 0.237 1
1 332 . 11 1 1 A 32 32 ILE C C 32 177.623 177.646 -0.023 1
1 333 . 11 1 1 A 32 32 ILE CA C 32 63.351 64.226 -0.875 1
1 334 . 11 1 1 A 32 32 ILE CB C 32 37.667 37.049 0.618 1
1 338 . 11 1 1 A 32 32 ILE N N 32 117.036 116.829 0.207 1
1 339 . 11 1 1 A 33 33 HIS H H 33 7.209 7.174 0.035 1
1 340 . 11 1 1 A 33 33 HIS HA H 33 4.820 4.439 0.381 1
1 345 . 11 1 1 A 33 33 HIS C C 33 175.937 178.193 -2.256 1
1 346 . 11 1 1 A 33 33 HIS CA C 33 55.352 59.122 -3.770 1
1 347 . 11 1 1 A 33 33 HIS CB C 33 28.527 30.809 -2.282 1
1 350 . 11 1 1 A 33 33 HIS N N 33 117.235 121.189 -3.954 1
1 351 . 11 1 1 A 34 34 THR H H 34 7.749 8.167 -0.418 1
1 352 . 11 1 1 A 34 34 THR HA H 34 4.369 4.015 0.354 1
1 357 . 11 1 1 A 34 34 THR C C 34 175.653 175.214 0.439 1
1 358 . 11 1 1 A 34 34 THR CA C 34 62.438 64.665 -2.227 1
1 359 . 11 1 1 A 34 34 THR CB C 34 69.975 68.247 1.728 1
1 361 . 11 1 1 A 34 34 THR N N 34 110.763 113.550 -2.787 1
1 362 . 11 1 1 A 35 35 GLY H H 35 8.174 7.593 0.581 1
1 363 . 11 1 1 A 35 35 GLY HA2 H 35 4.059 3.798 0.261 1
1 364 . 11 1 1 A 35 35 GLY HA3 H 35 3.950 3.809 0.141 1
1 365 . 11 1 1 A 35 35 GLY C C 35 174.334 173.283 1.051 1
1 366 . 11 1 1 A 35 35 GLY CA C 35 45.450 47.238 -1.788 1
1 367 . 11 1 1 A 35 35 GLY N N 35 110.516 111.332 -0.816 1
1 368 . 11 1 1 A 36 36 GLU H H 36 8.130 8.287 -0.157 1
1 369 . 11 1 1 A 36 36 GLU HA H 36 4.311 4.701 -0.390 1
1 374 . 11 1 1 A 36 36 GLU C C 36 176.510 174.567 1.943 1
1 375 . 11 1 1 A 36 36 GLU CA C 36 56.629 55.899 0.730 1
1 376 . 11 1 1 A 36 36 GLU CB C 36 30.535 33.022 -2.487 1
1 378 . 11 1 1 A 36 36 GLU N N 36 120.680 124.224 -3.544 1
1 379 . 11 1 1 A 37 37 SER H H 37 8.391 8.788 -0.397 1
1 380 . 11 1 1 A 37 37 SER HA H 37 4.481 4.377 0.104 1
1 383 . 11 1 1 A 37 37 SER C C 37 174.576 175.106 -0.530 1
1 384 . 11 1 1 A 37 37 SER CA C 37 58.300 59.545 -1.245 1
1 385 . 11 1 1 A 37 37 SER CB C 37 63.990 63.384 0.606 1
1 386 . 11 1 1 A 37 37 SER N N 37 116.733 120.035 -3.302 1
1 387 . 11 1 1 A 38 38 GLY H H 38 8.240 8.450 -0.210 1
1 388 . 11 1 1 A 38 38 GLY HA2 H 38 4.158 4.328 -0.170 1
1 389 . 11 1 1 A 38 38 GLY HA3 H 38 4.064 4.328 -0.264 1
1 390 . 11 1 1 A 38 38 GLY C C 38 171.698 171.184 0.514 1
1 391 . 11 1 1 A 38 38 GLY CA C 38 44.560 45.126 -0.566 1
1 392 . 11 1 1 A 38 38 GLY N N 38 110.538 111.518 -0.980 1
1 393 . 11 1 1 A 39 39 PRO HA H 39 4.474 4.658 -0.184 1
1 400 . 11 1 1 A 39 39 PRO C C 39 177.358 176.332 1.026 1
1 401 . 11 1 1 A 39 39 PRO CA C 39 63.172 62.837 0.335 1
1 402 . 11 1 1 A 39 39 PRO CB C 39 32.197 31.974 0.223 1
1 405 . 11 1 1 A 40 40 SER H H 40 8.542 8.605 -0.063 1
1 406 . 11 1 1 A 40 40 SER C C 40 174.651 173.514 1.137 1
1 407 . 11 1 1 A 40 40 SER CA C 40 58.452 57.376 1.076 1
1 408 . 11 1 1 A 40 40 SER CB C 40 63.972 65.870 -1.898 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.956 4.165 -0.209 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.956 4.169 -0.213 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.066 172.120 1.946 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.322 44.187 1.135 1
1 5 . 12 1 1 A 8 8 GLN H H 8 8.173 8.530 -0.357 1
1 6 . 12 1 1 A 8 8 GLN HA H 8 4.244 5.246 -1.002 1
1 13 . 12 1 1 A 8 8 GLN C C 8 176.010 173.898 2.112 1
1 14 . 12 1 1 A 8 8 GLN CA C 8 56.057 54.053 2.004 1
1 15 . 12 1 1 A 8 8 GLN CB C 8 29.452 32.340 -2.888 1
1 17 . 12 1 1 A 8 8 GLN N N 8 119.348 116.564 2.784 1
1 19 . 12 1 1 A 9 9 LYS H H 9 8.307 8.638 -0.331 1
1 20 . 12 1 1 A 9 9 LYS HA H 9 4.522 5.087 -0.565 1
1 29 . 12 1 1 A 9 9 LYS C C 9 173.766 175.432 -1.666 1
1 30 . 12 1 1 A 9 9 LYS CA C 9 53.843 53.282 0.561 1
1 31 . 12 1 1 A 9 9 LYS CB C 9 33.164 33.200 -0.036 1
1 35 . 12 1 1 A 9 9 LYS N N 9 122.358 123.076 -0.718 1
1 36 . 12 1 1 A 10 10 PRO HA H 10 4.279 4.300 -0.021 1
1 43 . 12 1 1 A 10 10 PRO C C 10 176.401 176.139 0.262 1
1 44 . 12 1 1 A 10 10 PRO CA C 10 63.416 65.135 -1.719 1
1 45 . 12 1 1 A 10 10 PRO CB C 10 32.288 31.805 0.483 1
1 48 . 12 1 1 A 11 11 TYR H H 11 7.923 7.918 0.005 1
1 49 . 12 1 1 A 11 11 TYR HA H 11 4.623 4.649 -0.026 1
1 56 . 12 1 1 A 11 11 TYR C C 11 174.286 175.733 -1.447 1
1 57 . 12 1 1 A 11 11 TYR CA C 11 57.971 57.854 0.117 1
1 58 . 12 1 1 A 11 11 TYR CB C 11 38.024 37.695 0.329 1
1 63 . 12 1 1 A 11 11 TYR N N 11 119.366 117.738 1.628 1
1 64 . 12 1 1 A 12 12 VAL H H 12 8.401 8.599 -0.198 1
1 65 . 12 1 1 A 12 12 VAL HA H 12 4.579 4.838 -0.259 1
1 73 . 12 1 1 A 12 12 VAL C C 12 175.233 175.640 -0.407 1
1 74 . 12 1 1 A 12 12 VAL CA C 12 61.292 60.759 0.533 1
1 75 . 12 1 1 A 12 12 VAL CB C 12 34.524 34.151 0.373 1
1 78 . 12 1 1 A 12 12 VAL N N 12 125.266 124.632 0.634 1
1 79 . 12 1 1 A 13 13 CYS H H 13 9.209 9.389 -0.180 1
1 80 . 12 1 1 A 13 13 CYS HA H 13 4.594 4.614 -0.020 1
1 83 . 12 1 1 A 13 13 CYS C C 13 177.334 175.994 1.340 1
1 84 . 12 1 1 A 13 13 CYS CA C 13 59.708 59.858 -0.150 1
1 85 . 12 1 1 A 13 13 CYS CB C 13 29.650 28.557 1.093 1
1 86 . 12 1 1 A 13 13 CYS N N 13 129.222 127.635 1.587 1
1 87 . 12 1 1 A 14 14 ASN H H 14 9.507 9.314 0.193 1
1 88 . 12 1 1 A 14 14 ASN HA H 14 4.511 4.818 -0.307 1
1 93 . 12 1 1 A 14 14 ASN C C 14 175.327 176.902 -1.575 1
1 94 . 12 1 1 A 14 14 ASN CA C 14 55.760 53.935 1.825 1
1 95 . 12 1 1 A 14 14 ASN CB C 14 38.946 38.599 0.347 1
1 96 . 12 1 1 A 14 14 ASN N N 14 130.952 127.187 3.765 1
1 98 . 12 1 1 A 15 15 GLU H H 15 8.759 7.982 0.777 1
1 99 . 12 1 1 A 15 15 GLU HA H 15 4.236 4.090 0.146 1
1 104 . 12 1 1 A 15 15 GLU C C 15 177.222 177.933 -0.711 1
1 105 . 12 1 1 A 15 15 GLU CA C 15 58.127 58.431 -0.304 1
1 106 . 12 1 1 A 15 15 GLU CB C 15 29.464 29.881 -0.417 1
1 108 . 12 1 1 A 15 15 GLU N N 15 120.367 118.677 1.690 1
1 109 . 12 1 1 A 16 16 CYS H H 16 8.075 8.007 0.068 1
1 110 . 12 1 1 A 16 16 CYS HA H 16 5.189 4.709 0.480 1
1 113 . 12 1 1 A 16 16 CYS C C 16 176.487 175.601 0.886 1
1 114 . 12 1 1 A 16 16 CYS CA C 16 58.273 59.326 -1.053 1
1 115 . 12 1 1 A 16 16 CYS CB C 16 32.589 30.382 2.207 1
1 116 . 12 1 1 A 16 16 CYS N N 16 115.028 114.914 0.114 1
1 117 . 12 1 1 A 17 17 GLY H H 17 8.119 8.270 -0.151 1
1 118 . 12 1 1 A 17 17 GLY HA2 H 17 3.740 4.063 -0.323 1
1 119 . 12 1 1 A 17 17 GLY HA3 H 17 4.184 4.081 0.103 1
1 120 . 12 1 1 A 17 17 GLY C C 17 173.579 174.340 -0.761 1
1 121 . 12 1 1 A 17 17 GLY CA C 17 46.154 45.184 0.970 1
1 122 . 12 1 1 A 17 17 GLY N N 17 113.446 110.291 3.155 1
1 123 . 12 1 1 A 18 18 LYS H H 18 7.999 8.081 -0.082 1
1 124 . 12 1 1 A 18 18 LYS HA H 18 3.902 4.433 -0.531 1
1 133 . 12 1 1 A 18 18 LYS C C 18 173.431 175.961 -2.530 1
1 134 . 12 1 1 A 18 18 LYS CA C 18 58.308 55.267 3.041 1
1 135 . 12 1 1 A 18 18 LYS CB C 18 33.373 33.498 -0.125 1
1 139 . 12 1 1 A 18 18 LYS N N 18 123.594 121.898 1.696 1
1 140 . 12 1 1 A 19 19 ALA H H 19 7.690 8.564 -0.874 1
1 141 . 12 1 1 A 19 19 ALA HA H 19 5.156 5.631 -0.475 1
1 145 . 12 1 1 A 19 19 ALA C C 19 176.397 176.174 0.223 1
1 146 . 12 1 1 A 19 19 ALA CA C 19 50.116 50.775 -0.659 1
1 147 . 12 1 1 A 19 19 ALA CB C 19 22.761 21.377 1.384 1
1 148 . 12 1 1 A 19 19 ALA N N 19 124.433 128.492 -4.059 1
1 149 . 12 1 1 A 20 20 PHE H H 20 8.988 9.267 -0.279 1
1 150 . 12 1 1 A 20 20 PHE HA H 20 4.671 4.888 -0.217 1
1 158 . 12 1 1 A 20 20 PHE C C 20 175.608 176.642 -1.034 1
1 159 . 12 1 1 A 20 20 PHE CA C 20 57.288 56.098 1.190 1
1 160 . 12 1 1 A 20 20 PHE CB C 20 43.643 40.939 2.704 1
1 166 . 12 1 1 A 20 20 PHE N N 20 117.426 117.539 -0.113 1
1 167 . 12 1 1 A 21 21 GLY H H 21 9.144 8.796 0.348 1
1 168 . 12 1 1 A 21 21 GLY HA2 H 21 4.066 3.929 0.137 1
1 169 . 12 1 1 A 21 21 GLY HA3 H 21 4.380 3.991 0.389 1
1 170 . 12 1 1 A 21 21 GLY C C 21 173.415 174.340 -0.925 1
1 171 . 12 1 1 A 21 21 GLY CA C 21 46.269 47.315 -1.046 1
1 172 . 12 1 1 A 21 21 GLY N N 21 108.353 110.923 -2.570 1
1 173 . 12 1 1 A 22 22 LEU H H 22 7.492 7.859 -0.367 1
1 174 . 12 1 1 A 22 22 LEU HA H 22 4.888 4.765 0.123 1
1 184 . 12 1 1 A 22 22 LEU C C 22 176.995 176.568 0.427 1
1 185 . 12 1 1 A 22 22 LEU CA C 22 53.043 53.155 -0.112 1
1 186 . 12 1 1 A 22 22 LEU CB C 22 45.693 44.445 1.248 1
1 190 . 12 1 1 A 22 22 LEU N N 22 117.179 120.868 -3.689 1
1 191 . 12 1 1 A 23 23 LYS H H 23 8.346 8.413 -0.067 1
1 192 . 12 1 1 A 23 23 LYS HA H 23 3.000 2.673 0.327 1
1 201 . 12 1 1 A 23 23 LYS C C 23 178.113 178.065 0.048 1
1 202 . 12 1 1 A 23 23 LYS CA C 23 59.056 58.802 0.254 1
1 203 . 12 1 1 A 23 23 LYS CB C 23 31.452 32.228 -0.776 1
1 207 . 12 1 1 A 23 23 LYS N N 23 127.252 123.047 4.205 1
1 208 . 12 1 1 A 24 24 SER H H 24 8.360 8.154 0.206 1
1 209 . 12 1 1 A 24 24 SER HA H 24 3.865 3.988 -0.123 1
1 212 . 12 1 1 A 24 24 SER C C 24 176.854 176.483 0.371 1
1 213 . 12 1 1 A 24 24 SER CA C 24 60.651 61.907 -1.256 1
1 214 . 12 1 1 A 24 24 SER CB C 24 61.315 62.986 -1.671 1
1 215 . 12 1 1 A 24 24 SER N N 24 111.653 115.365 -3.712 1
1 216 . 12 1 1 A 25 25 GLN H H 25 6.647 8.030 -1.383 1
1 217 . 12 1 1 A 25 25 GLN HA H 25 3.895 3.931 -0.036 1
1 224 . 12 1 1 A 25 25 GLN C C 25 178.428 177.994 0.434 1
1 225 . 12 1 1 A 25 25 GLN CA C 25 57.613 58.893 -1.280 1
1 226 . 12 1 1 A 25 25 GLN CB C 25 28.573 28.161 0.412 1
1 228 . 12 1 1 A 25 25 GLN N N 25 119.141 121.117 -1.976 1
1 230 . 12 1 1 A 26 26 LEU H H 26 6.992 7.636 -0.644 1
1 231 . 12 1 1 A 26 26 LEU HA H 26 3.324 2.820 0.504 1
1 241 . 12 1 1 A 26 26 LEU C C 26 177.103 178.171 -1.068 1
1 242 . 12 1 1 A 26 26 LEU CA C 26 57.854 57.050 0.804 1
1 243 . 12 1 1 A 26 26 LEU CB C 26 40.350 41.607 -1.257 1
1 247 . 12 1 1 A 26 26 LEU N N 26 122.365 120.085 2.280 1
1 248 . 12 1 1 A 27 27 ILE H H 27 7.971 7.803 0.168 1
1 249 . 12 1 1 A 27 27 ILE HA H 27 3.725 3.744 -0.019 1
1 259 . 12 1 1 A 27 27 ILE C C 27 178.803 178.159 0.644 1
1 260 . 12 1 1 A 27 27 ILE CA C 27 64.616 65.337 -0.721 1
1 261 . 12 1 1 A 27 27 ILE CB C 27 37.833 37.859 -0.026 1
1 265 . 12 1 1 A 27 27 ILE N N 27 118.447 119.347 -0.900 1
1 266 . 12 1 1 A 28 28 ILE H H 28 7.047 7.983 -0.936 1
1 267 . 12 1 1 A 28 28 ILE HA H 28 3.572 3.691 -0.119 1
1 277 . 12 1 1 A 28 28 ILE C C 28 178.591 178.333 0.258 1
1 278 . 12 1 1 A 28 28 ILE CA C 28 64.607 64.363 0.244 1
1 279 . 12 1 1 A 28 28 ILE CB C 28 38.385 36.686 1.699 1
1 283 . 12 1 1 A 28 28 ILE N N 28 118.309 120.607 -2.298 1
1 284 . 12 1 1 A 29 29 HIS H H 29 7.575 7.612 -0.037 1
1 285 . 12 1 1 A 29 29 HIS HA H 29 4.116 4.163 -0.047 1
1 290 . 12 1 1 A 29 29 HIS C C 29 176.399 177.328 -0.929 1
1 291 . 12 1 1 A 29 29 HIS CA C 29 59.638 59.743 -0.105 1
1 292 . 12 1 1 A 29 29 HIS CB C 29 28.686 29.664 -0.978 1
1 295 . 12 1 1 A 29 29 HIS N N 29 120.367 120.440 -0.073 1
1 296 . 12 1 1 A 30 30 GLU H H 30 8.691 8.820 -0.129 1
1 297 . 12 1 1 A 30 30 GLU HA H 30 3.695 3.962 -0.267 1
1 302 . 12 1 1 A 30 30 GLU C C 30 178.190 179.140 -0.950 1
1 303 . 12 1 1 A 30 30 GLU CA C 30 60.106 60.010 0.096 1
1 304 . 12 1 1 A 30 30 GLU CB C 30 29.866 29.213 0.653 1
1 306 . 12 1 1 A 30 30 GLU N N 30 116.137 117.607 -1.470 1
1 307 . 12 1 1 A 31 31 ARG H H 31 7.138 7.921 -0.783 1
1 308 . 12 1 1 A 31 31 ARG HA H 31 4.178 4.126 0.052 1
1 315 . 12 1 1 A 31 31 ARG C C 31 178.912 178.984 -0.072 1
1 316 . 12 1 1 A 31 31 ARG CA C 31 58.400 58.596 -0.196 1
1 317 . 12 1 1 A 31 31 ARG CB C 31 30.069 29.891 0.178 1
1 320 . 12 1 1 A 31 31 ARG N N 31 116.943 119.635 -2.692 1
1 321 . 12 1 1 A 32 32 ILE H H 32 7.978 7.634 0.344 1
1 322 . 12 1 1 A 32 32 ILE HA H 32 3.935 3.692 0.243 1
1 332 . 12 1 1 A 32 32 ILE C C 32 177.623 177.626 -0.003 1
1 333 . 12 1 1 A 32 32 ILE CA C 32 63.351 63.902 -0.551 1
1 334 . 12 1 1 A 32 32 ILE CB C 32 37.667 36.940 0.727 1
1 338 . 12 1 1 A 32 32 ILE N N 32 117.036 116.586 0.450 1
1 339 . 12 1 1 A 33 33 HIS H H 33 7.209 7.281 -0.072 1
1 340 . 12 1 1 A 33 33 HIS HA H 33 4.820 4.485 0.335 1
1 345 . 12 1 1 A 33 33 HIS C C 33 175.937 177.636 -1.699 1
1 346 . 12 1 1 A 33 33 HIS CA C 33 55.352 58.785 -3.433 1
1 347 . 12 1 1 A 33 33 HIS CB C 33 28.527 30.780 -2.253 1
1 350 . 12 1 1 A 33 33 HIS N N 33 117.235 120.605 -3.370 1
1 351 . 12 1 1 A 34 34 THR H H 34 7.749 8.454 -0.705 1
1 352 . 12 1 1 A 34 34 THR HA H 34 4.369 4.169 0.200 1
1 357 . 12 1 1 A 34 34 THR C C 34 175.653 177.416 -1.763 1
1 358 . 12 1 1 A 34 34 THR CA C 34 62.438 65.337 -2.899 1
1 359 . 12 1 1 A 34 34 THR CB C 34 69.975 68.396 1.579 1
1 361 . 12 1 1 A 34 34 THR N N 34 110.763 113.340 -2.577 1
1 362 . 12 1 1 A 35 35 GLY H H 35 8.174 7.682 0.492 1
1 363 . 12 1 1 A 35 35 GLY HA2 H 35 4.059 3.841 0.218 1
1 364 . 12 1 1 A 35 35 GLY HA3 H 35 3.950 3.851 0.099 1
1 365 . 12 1 1 A 35 35 GLY C C 35 174.334 174.773 -0.439 1
1 366 . 12 1 1 A 35 35 GLY CA C 35 45.450 46.954 -1.504 1
1 367 . 12 1 1 A 35 35 GLY N N 35 110.516 109.979 0.537 1
1 368 . 12 1 1 A 36 36 GLU H H 36 8.130 7.757 0.373 1
1 369 . 12 1 1 A 36 36 GLU HA H 36 4.311 4.346 -0.035 1
1 374 . 12 1 1 A 36 36 GLU C C 36 176.510 177.348 -0.838 1
1 375 . 12 1 1 A 36 36 GLU CA C 36 56.629 57.254 -0.625 1
1 376 . 12 1 1 A 36 36 GLU CB C 36 30.535 30.534 0.001 1
1 378 . 12 1 1 A 36 36 GLU N N 36 120.680 119.562 1.118 1
1 379 . 12 1 1 A 37 37 SER H H 37 8.391 8.645 -0.254 1
1 380 . 12 1 1 A 37 37 SER HA H 37 4.481 4.922 -0.441 1
1 383 . 12 1 1 A 37 37 SER C C 37 174.576 174.858 -0.282 1
1 384 . 12 1 1 A 37 37 SER CA C 37 58.300 56.472 1.828 1
1 385 . 12 1 1 A 37 37 SER CB C 37 63.990 62.899 1.091 1
1 386 . 12 1 1 A 37 37 SER N N 37 116.733 115.236 1.497 1
1 387 . 12 1 1 A 38 38 GLY H H 38 8.240 8.319 -0.079 1
1 388 . 12 1 1 A 38 38 GLY HA2 H 38 4.158 4.057 0.101 1
1 389 . 12 1 1 A 38 38 GLY HA3 H 38 4.064 4.061 0.003 1
1 390 . 12 1 1 A 38 38 GLY C C 38 171.698 172.807 -1.109 1
1 391 . 12 1 1 A 38 38 GLY CA C 38 44.560 44.349 0.211 1
1 392 . 12 1 1 A 38 38 GLY N N 38 110.538 110.325 0.213 1
1 393 . 12 1 1 A 39 39 PRO HA H 39 4.474 4.655 -0.181 1
1 400 . 12 1 1 A 39 39 PRO C C 39 177.358 175.871 1.487 1
1 401 . 12 1 1 A 39 39 PRO CA C 39 63.172 62.586 0.586 1
1 402 . 12 1 1 A 39 39 PRO CB C 39 32.197 33.068 -0.871 1
1 405 . 12 1 1 A 40 40 SER H H 40 8.542 8.423 0.119 1
1 406 . 12 1 1 A 40 40 SER C C 40 174.651 172.121 2.530 1
1 407 . 12 1 1 A 40 40 SER CA C 40 58.452 57.244 1.208 1
1 408 . 12 1 1 A 40 40 SER CB C 40 63.972 66.897 -2.925 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.956 4.203 -0.247 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.956 4.208 -0.252 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.066 172.772 1.294 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.322 45.615 -0.293 1
1 5 . 13 1 1 A 8 8 GLN H H 8 8.173 8.494 -0.321 1
1 6 . 13 1 1 A 8 8 GLN HA H 8 4.244 4.734 -0.490 1
1 13 . 13 1 1 A 8 8 GLN C C 8 176.010 174.352 1.658 1
1 14 . 13 1 1 A 8 8 GLN CA C 8 56.057 55.118 0.939 1
1 15 . 13 1 1 A 8 8 GLN CB C 8 29.452 28.454 0.998 1
1 17 . 13 1 1 A 8 8 GLN N N 8 119.348 118.924 0.424 1
1 19 . 13 1 1 A 9 9 LYS H H 9 8.307 8.368 -0.061 1
1 20 . 13 1 1 A 9 9 LYS HA H 9 4.522 4.865 -0.343 1
1 29 . 13 1 1 A 9 9 LYS C C 9 173.766 176.422 -2.656 1
1 30 . 13 1 1 A 9 9 LYS CA C 9 53.843 52.535 1.308 1
1 31 . 13 1 1 A 9 9 LYS CB C 9 33.164 32.506 0.658 1
1 35 . 13 1 1 A 9 9 LYS N N 9 122.358 125.885 -3.527 1
1 36 . 13 1 1 A 10 10 PRO HA H 10 4.279 4.320 -0.041 1
1 43 . 13 1 1 A 10 10 PRO C C 10 176.401 175.942 0.459 1
1 44 . 13 1 1 A 10 10 PRO CA C 10 63.416 65.017 -1.601 1
1 45 . 13 1 1 A 10 10 PRO CB C 10 32.288 31.765 0.523 1
1 48 . 13 1 1 A 11 11 TYR H H 11 7.923 7.889 0.034 1
1 49 . 13 1 1 A 11 11 TYR HA H 11 4.623 4.663 -0.040 1
1 56 . 13 1 1 A 11 11 TYR C C 11 174.286 175.916 -1.630 1
1 57 . 13 1 1 A 11 11 TYR CA C 11 57.971 58.058 -0.087 1
1 58 . 13 1 1 A 11 11 TYR CB C 11 38.024 37.974 0.050 1
1 63 . 13 1 1 A 11 11 TYR N N 11 119.366 117.900 1.466 1
1 64 . 13 1 1 A 12 12 VAL H H 12 8.401 9.000 -0.599 1
1 65 . 13 1 1 A 12 12 VAL HA H 12 4.579 4.766 -0.187 1
1 73 . 13 1 1 A 12 12 VAL C C 12 175.233 175.847 -0.614 1
1 74 . 13 1 1 A 12 12 VAL CA C 12 61.292 60.853 0.439 1
1 75 . 13 1 1 A 12 12 VAL CB C 12 34.524 34.469 0.055 1
1 78 . 13 1 1 A 12 12 VAL N N 12 125.266 124.085 1.181 1
1 79 . 13 1 1 A 13 13 CYS H H 13 9.209 9.436 -0.227 1
1 80 . 13 1 1 A 13 13 CYS HA H 13 4.594 4.590 0.004 1
1 83 . 13 1 1 A 13 13 CYS C C 13 177.334 175.797 1.537 1
1 84 . 13 1 1 A 13 13 CYS CA C 13 59.708 60.169 -0.461 1
1 85 . 13 1 1 A 13 13 CYS CB C 13 29.650 28.698 0.952 1
1 86 . 13 1 1 A 13 13 CYS N N 13 129.222 127.698 1.524 1
1 87 . 13 1 1 A 14 14 ASN H H 14 9.507 9.058 0.449 1
1 88 . 13 1 1 A 14 14 ASN HA H 14 4.511 4.764 -0.253 1
1 93 . 13 1 1 A 14 14 ASN C C 14 175.327 175.951 -0.624 1
1 94 . 13 1 1 A 14 14 ASN CA C 14 55.760 54.360 1.400 1
1 95 . 13 1 1 A 14 14 ASN CB C 14 38.946 38.621 0.325 1
1 96 . 13 1 1 A 14 14 ASN N N 14 130.952 126.110 4.842 1
1 98 . 13 1 1 A 15 15 GLU H H 15 8.759 7.963 0.796 1
1 99 . 13 1 1 A 15 15 GLU HA H 15 4.236 4.139 0.097 1
1 104 . 13 1 1 A 15 15 GLU C C 15 177.222 177.976 -0.754 1
1 105 . 13 1 1 A 15 15 GLU CA C 15 58.127 58.154 -0.027 1
1 106 . 13 1 1 A 15 15 GLU CB C 15 29.464 30.043 -0.579 1
1 108 . 13 1 1 A 15 15 GLU N N 15 120.367 117.822 2.545 1
1 109 . 13 1 1 A 16 16 CYS H H 16 8.075 8.108 -0.033 1
1 110 . 13 1 1 A 16 16 CYS HA H 16 5.189 4.699 0.490 1
1 113 . 13 1 1 A 16 16 CYS C C 16 176.487 175.598 0.889 1
1 114 . 13 1 1 A 16 16 CYS CA C 16 58.273 59.430 -1.157 1
1 115 . 13 1 1 A 16 16 CYS CB C 16 32.589 30.296 2.293 1
1 116 . 13 1 1 A 16 16 CYS N N 16 115.028 115.220 -0.192 1
1 117 . 13 1 1 A 17 17 GLY H H 17 8.119 8.306 -0.187 1
1 118 . 13 1 1 A 17 17 GLY HA2 H 17 3.740 4.063 -0.323 1
1 119 . 13 1 1 A 17 17 GLY HA3 H 17 4.184 4.080 0.104 1
1 120 . 13 1 1 A 17 17 GLY C C 17 173.579 174.392 -0.813 1
1 121 . 13 1 1 A 17 17 GLY CA C 17 46.154 45.188 0.966 1
1 122 . 13 1 1 A 17 17 GLY N N 17 113.446 110.291 3.155 1
1 123 . 13 1 1 A 18 18 LYS H H 18 7.999 7.583 0.416 1
1 124 . 13 1 1 A 18 18 LYS HA H 18 3.902 4.331 -0.429 1
1 133 . 13 1 1 A 18 18 LYS C C 18 173.431 176.036 -2.605 1
1 134 . 13 1 1 A 18 18 LYS CA C 18 58.308 55.463 2.845 1
1 135 . 13 1 1 A 18 18 LYS CB C 18 33.373 33.334 0.039 1
1 139 . 13 1 1 A 18 18 LYS N N 18 123.594 122.043 1.551 1
1 140 . 13 1 1 A 19 19 ALA H H 19 7.690 8.563 -0.873 1
1 141 . 13 1 1 A 19 19 ALA HA H 19 5.156 5.692 -0.536 1
1 145 . 13 1 1 A 19 19 ALA C C 19 176.397 176.202 0.195 1
1 146 . 13 1 1 A 19 19 ALA CA C 19 50.116 50.791 -0.675 1
1 147 . 13 1 1 A 19 19 ALA CB C 19 22.761 21.360 1.401 1
1 148 . 13 1 1 A 19 19 ALA N N 19 124.433 128.716 -4.283 1
1 149 . 13 1 1 A 20 20 PHE H H 20 8.988 9.284 -0.296 1
1 150 . 13 1 1 A 20 20 PHE HA H 20 4.671 4.896 -0.225 1
1 158 . 13 1 1 A 20 20 PHE C C 20 175.608 176.645 -1.037 1
1 159 . 13 1 1 A 20 20 PHE CA C 20 57.288 56.129 1.159 1
1 160 . 13 1 1 A 20 20 PHE CB C 20 43.643 41.033 2.610 1
1 166 . 13 1 1 A 20 20 PHE N N 20 117.426 117.324 0.102 1
1 167 . 13 1 1 A 21 21 GLY H H 21 9.144 8.799 0.345 1
1 168 . 13 1 1 A 21 21 GLY HA2 H 21 4.066 3.932 0.134 1
1 169 . 13 1 1 A 21 21 GLY HA3 H 21 4.380 3.990 0.390 1
1 170 . 13 1 1 A 21 21 GLY C C 21 173.415 174.252 -0.837 1
1 171 . 13 1 1 A 21 21 GLY CA C 21 46.269 47.239 -0.970 1
1 172 . 13 1 1 A 21 21 GLY N N 21 108.353 110.912 -2.559 1
1 173 . 13 1 1 A 22 22 LEU H H 22 7.492 7.826 -0.334 1
1 174 . 13 1 1 A 22 22 LEU HA H 22 4.888 4.817 0.071 1
1 184 . 13 1 1 A 22 22 LEU C C 22 176.995 176.482 0.513 1
1 185 . 13 1 1 A 22 22 LEU CA C 22 53.043 53.166 -0.123 1
1 186 . 13 1 1 A 22 22 LEU CB C 22 45.693 44.645 1.048 1
1 190 . 13 1 1 A 22 22 LEU N N 22 117.179 120.880 -3.701 1
1 191 . 13 1 1 A 23 23 LYS H H 23 8.346 8.386 -0.040 1
1 192 . 13 1 1 A 23 23 LYS HA H 23 3.000 2.529 0.471 1
1 201 . 13 1 1 A 23 23 LYS C C 23 178.113 177.686 0.427 1
1 202 . 13 1 1 A 23 23 LYS CA C 23 59.056 58.685 0.371 1
1 203 . 13 1 1 A 23 23 LYS CB C 23 31.452 32.014 -0.562 1
1 207 . 13 1 1 A 23 23 LYS N N 23 127.252 123.183 4.069 1
1 208 . 13 1 1 A 24 24 SER H H 24 8.360 7.864 0.496 1
1 209 . 13 1 1 A 24 24 SER HA H 24 3.865 3.977 -0.112 1
1 212 . 13 1 1 A 24 24 SER C C 24 176.854 177.103 -0.249 1
1 213 . 13 1 1 A 24 24 SER CA C 24 60.651 61.511 -0.860 1
1 214 . 13 1 1 A 24 24 SER CB C 24 61.315 62.963 -1.648 1
1 215 . 13 1 1 A 24 24 SER N N 24 111.653 113.544 -1.891 1
1 216 . 13 1 1 A 25 25 GLN H H 25 6.647 8.133 -1.486 1
1 217 . 13 1 1 A 25 25 GLN HA H 25 3.895 3.946 -0.051 1
1 224 . 13 1 1 A 25 25 GLN C C 25 178.428 177.769 0.659 1
1 225 . 13 1 1 A 25 25 GLN CA C 25 57.613 58.818 -1.205 1
1 226 . 13 1 1 A 25 25 GLN CB C 25 28.573 28.226 0.347 1
1 228 . 13 1 1 A 25 25 GLN N N 25 119.141 121.313 -2.172 1
1 230 . 13 1 1 A 26 26 LEU H H 26 6.992 7.643 -0.651 1
1 231 . 13 1 1 A 26 26 LEU HA H 26 3.324 2.803 0.521 1
1 241 . 13 1 1 A 26 26 LEU C C 26 177.103 178.224 -1.121 1
1 242 . 13 1 1 A 26 26 LEU CA C 26 57.854 57.035 0.819 1
1 243 . 13 1 1 A 26 26 LEU CB C 26 40.350 41.607 -1.257 1
1 247 . 13 1 1 A 26 26 LEU N N 26 122.365 120.040 2.325 1
1 248 . 13 1 1 A 27 27 ILE H H 27 7.971 7.790 0.181 1
1 249 . 13 1 1 A 27 27 ILE HA H 27 3.725 3.604 0.121 1
1 259 . 13 1 1 A 27 27 ILE C C 27 178.803 178.248 0.555 1
1 260 . 13 1 1 A 27 27 ILE CA C 27 64.616 65.330 -0.714 1
1 261 . 13 1 1 A 27 27 ILE CB C 27 37.833 37.828 0.005 1
1 265 . 13 1 1 A 27 27 ILE N N 27 118.447 119.351 -0.904 1
1 266 . 13 1 1 A 28 28 ILE H H 28 7.047 8.035 -0.988 1
1 267 . 13 1 1 A 28 28 ILE HA H 28 3.572 3.706 -0.134 1
1 277 . 13 1 1 A 28 28 ILE C C 28 178.591 178.344 0.247 1
1 278 . 13 1 1 A 28 28 ILE CA C 28 64.607 64.309 0.298 1
1 279 . 13 1 1 A 28 28 ILE CB C 28 38.385 36.695 1.690 1
1 283 . 13 1 1 A 28 28 ILE N N 28 118.309 120.961 -2.652 1
1 284 . 13 1 1 A 29 29 HIS H H 29 7.575 7.539 0.036 1
1 285 . 13 1 1 A 29 29 HIS HA H 29 4.116 4.214 -0.098 1
1 290 . 13 1 1 A 29 29 HIS C C 29 176.399 177.080 -0.681 1
1 291 . 13 1 1 A 29 29 HIS CA C 29 59.638 59.676 -0.038 1
1 292 . 13 1 1 A 29 29 HIS CB C 29 28.686 29.694 -1.008 1
1 295 . 13 1 1 A 29 29 HIS N N 29 120.367 120.420 -0.053 1
1 296 . 13 1 1 A 30 30 GLU H H 30 8.691 8.713 -0.022 1
1 297 . 13 1 1 A 30 30 GLU HA H 30 3.695 3.952 -0.257 1
1 302 . 13 1 1 A 30 30 GLU C C 30 178.190 179.204 -1.014 1
1 303 . 13 1 1 A 30 30 GLU CA C 30 60.106 60.091 0.015 1
1 304 . 13 1 1 A 30 30 GLU CB C 30 29.866 29.238 0.628 1
1 306 . 13 1 1 A 30 30 GLU N N 30 116.137 117.152 -1.015 1
1 307 . 13 1 1 A 31 31 ARG H H 31 7.138 7.942 -0.804 1
1 308 . 13 1 1 A 31 31 ARG HA H 31 4.178 4.059 0.119 1
1 315 . 13 1 1 A 31 31 ARG C C 31 178.912 179.132 -0.220 1
1 316 . 13 1 1 A 31 31 ARG CA C 31 58.400 58.999 -0.599 1
1 317 . 13 1 1 A 31 31 ARG CB C 31 30.069 29.799 0.270 1
1 320 . 13 1 1 A 31 31 ARG N N 31 116.943 119.939 -2.996 1
1 321 . 13 1 1 A 32 32 ILE H H 32 7.978 7.865 0.113 1
1 322 . 13 1 1 A 32 32 ILE HA H 32 3.935 3.678 0.257 1
1 332 . 13 1 1 A 32 32 ILE C C 32 177.623 177.518 0.105 1
1 333 . 13 1 1 A 32 32 ILE CA C 32 63.351 64.231 -0.880 1
1 334 . 13 1 1 A 32 32 ILE CB C 32 37.667 37.169 0.498 1
1 338 . 13 1 1 A 32 32 ILE N N 32 117.036 117.976 -0.940 1
1 339 . 13 1 1 A 33 33 HIS H H 33 7.209 7.248 -0.039 1
1 340 . 13 1 1 A 33 33 HIS HA H 33 4.820 4.449 0.371 1
1 345 . 13 1 1 A 33 33 HIS C C 33 175.937 177.697 -1.760 1
1 346 . 13 1 1 A 33 33 HIS CA C 33 55.352 59.197 -3.845 1
1 347 . 13 1 1 A 33 33 HIS CB C 33 28.527 30.517 -1.990 1
1 350 . 13 1 1 A 33 33 HIS N N 33 117.235 121.220 -3.985 1
1 351 . 13 1 1 A 34 34 THR H H 34 7.749 8.315 -0.566 1
1 352 . 13 1 1 A 34 34 THR HA H 34 4.369 4.168 0.201 1
1 357 . 13 1 1 A 34 34 THR C C 34 175.653 177.154 -1.501 1
1 358 . 13 1 1 A 34 34 THR CA C 34 62.438 65.353 -2.915 1
1 359 . 13 1 1 A 34 34 THR CB C 34 69.975 68.331 1.644 1
1 361 . 13 1 1 A 34 34 THR N N 34 110.763 113.328 -2.565 1
1 362 . 13 1 1 A 35 35 GLY H H 35 8.174 7.816 0.358 1
1 363 . 13 1 1 A 35 35 GLY HA2 H 35 4.059 3.746 0.313 1
1 364 . 13 1 1 A 35 35 GLY HA3 H 35 3.950 3.754 0.196 1
1 365 . 13 1 1 A 35 35 GLY C C 35 174.334 174.915 -0.581 1
1 366 . 13 1 1 A 35 35 GLY CA C 35 45.450 46.950 -1.500 1
1 367 . 13 1 1 A 35 35 GLY N N 35 110.516 110.520 -0.004 1
1 368 . 13 1 1 A 36 36 GLU H H 36 8.130 8.084 0.046 1
1 369 . 13 1 1 A 36 36 GLU HA H 36 4.311 4.556 -0.245 1
1 374 . 13 1 1 A 36 36 GLU C C 36 176.510 176.512 -0.002 1
1 375 . 13 1 1 A 36 36 GLU CA C 36 56.629 55.116 1.513 1
1 376 . 13 1 1 A 36 36 GLU CB C 36 30.535 28.562 1.973 1
1 378 . 13 1 1 A 36 36 GLU N N 36 120.680 119.936 0.744 1
1 379 . 13 1 1 A 37 37 SER H H 37 8.391 8.742 -0.351 1
1 380 . 13 1 1 A 37 37 SER HA H 37 4.481 4.700 -0.219 1
1 383 . 13 1 1 A 37 37 SER C C 37 174.576 174.734 -0.158 1
1 384 . 13 1 1 A 37 37 SER CA C 37 58.300 57.599 0.701 1
1 385 . 13 1 1 A 37 37 SER CB C 37 63.990 63.432 0.558 1
1 386 . 13 1 1 A 37 37 SER N N 37 116.733 116.430 0.303 1
1 387 . 13 1 1 A 38 38 GLY H H 38 8.240 8.276 -0.036 1
1 388 . 13 1 1 A 38 38 GLY HA2 H 38 4.158 4.074 0.084 1
1 389 . 13 1 1 A 38 38 GLY HA3 H 38 4.064 4.075 -0.011 1
1 390 . 13 1 1 A 38 38 GLY C C 38 171.698 173.764 -2.066 1
1 391 . 13 1 1 A 38 38 GLY CA C 38 44.560 44.770 -0.210 1
1 392 . 13 1 1 A 38 38 GLY N N 38 110.538 111.858 -1.320 1
1 393 . 13 1 1 A 39 39 PRO HA H 39 4.474 4.493 -0.019 1
1 400 . 13 1 1 A 39 39 PRO C C 39 177.358 177.754 -0.396 1
1 401 . 13 1 1 A 39 39 PRO CA C 39 63.172 63.990 -0.818 1
1 402 . 13 1 1 A 39 39 PRO CB C 39 32.197 31.955 0.242 1
1 405 . 13 1 1 A 40 40 SER H H 40 8.542 8.398 0.144 1
1 406 . 13 1 1 A 40 40 SER C C 40 174.651 175.694 -1.043 1
1 407 . 13 1 1 A 40 40 SER CA C 40 58.452 61.660 -3.208 1
1 408 . 13 1 1 A 40 40 SER CB C 40 63.972 62.890 1.082 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.956 4.035 -0.079 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.956 4.037 -0.081 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.066 172.734 1.332 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.322 44.468 0.854 1
1 5 . 14 1 1 A 8 8 GLN H H 8 8.173 8.999 -0.826 1
1 6 . 14 1 1 A 8 8 GLN HA H 8 4.244 5.110 -0.866 1
1 13 . 14 1 1 A 8 8 GLN C C 8 176.010 174.645 1.365 1
1 14 . 14 1 1 A 8 8 GLN CA C 8 56.057 54.232 1.825 1
1 15 . 14 1 1 A 8 8 GLN CB C 8 29.452 31.961 -2.509 1
1 17 . 14 1 1 A 8 8 GLN N N 8 119.348 116.808 2.540 1
1 19 . 14 1 1 A 9 9 LYS H H 9 8.307 8.581 -0.274 1
1 20 . 14 1 1 A 9 9 LYS HA H 9 4.522 5.101 -0.579 1
1 29 . 14 1 1 A 9 9 LYS C C 9 173.766 175.298 -1.532 1
1 30 . 14 1 1 A 9 9 LYS CA C 9 53.843 53.452 0.391 1
1 31 . 14 1 1 A 9 9 LYS CB C 9 33.164 33.324 -0.160 1
1 35 . 14 1 1 A 9 9 LYS N N 9 122.358 122.557 -0.199 1
1 36 . 14 1 1 A 10 10 PRO HA H 10 4.279 4.305 -0.026 1
1 43 . 14 1 1 A 10 10 PRO C C 10 176.401 175.961 0.440 1
1 44 . 14 1 1 A 10 10 PRO CA C 10 63.416 65.016 -1.600 1
1 45 . 14 1 1 A 10 10 PRO CB C 10 32.288 31.768 0.520 1
1 48 . 14 1 1 A 11 11 TYR H H 11 7.923 7.901 0.022 1
1 49 . 14 1 1 A 11 11 TYR HA H 11 4.623 4.681 -0.058 1
1 56 . 14 1 1 A 11 11 TYR C C 11 174.286 175.714 -1.428 1
1 57 . 14 1 1 A 11 11 TYR CA C 11 57.971 57.757 0.214 1
1 58 . 14 1 1 A 11 11 TYR CB C 11 38.024 37.743 0.281 1
1 63 . 14 1 1 A 11 11 TYR N N 11 119.366 117.877 1.489 1
1 64 . 14 1 1 A 12 12 VAL H H 12 8.401 8.648 -0.247 1
1 65 . 14 1 1 A 12 12 VAL HA H 12 4.579 4.855 -0.276 1
1 73 . 14 1 1 A 12 12 VAL C C 12 175.233 175.495 -0.262 1
1 74 . 14 1 1 A 12 12 VAL CA C 12 61.292 60.684 0.608 1
1 75 . 14 1 1 A 12 12 VAL CB C 12 34.524 34.568 -0.044 1
1 78 . 14 1 1 A 12 12 VAL N N 12 125.266 124.407 0.859 1
1 79 . 14 1 1 A 13 13 CYS H H 13 9.209 9.327 -0.118 1
1 80 . 14 1 1 A 13 13 CYS HA H 13 4.594 4.612 -0.018 1
1 83 . 14 1 1 A 13 13 CYS C C 13 177.334 175.701 1.633 1
1 84 . 14 1 1 A 13 13 CYS CA C 13 59.708 59.790 -0.082 1
1 85 . 14 1 1 A 13 13 CYS CB C 13 29.650 28.392 1.258 1
1 86 . 14 1 1 A 13 13 CYS N N 13 129.222 127.888 1.334 1
1 87 . 14 1 1 A 14 14 ASN H H 14 9.507 9.144 0.363 1
1 88 . 14 1 1 A 14 14 ASN HA H 14 4.511 4.766 -0.255 1
1 93 . 14 1 1 A 14 14 ASN C C 14 175.327 175.926 -0.599 1
1 94 . 14 1 1 A 14 14 ASN CA C 14 55.760 54.345 1.415 1
1 95 . 14 1 1 A 14 14 ASN CB C 14 38.946 38.755 0.191 1
1 96 . 14 1 1 A 14 14 ASN N N 14 130.952 126.210 4.742 1
1 98 . 14 1 1 A 15 15 GLU H H 15 8.759 7.993 0.766 1
1 99 . 14 1 1 A 15 15 GLU HA H 15 4.236 4.142 0.094 1
1 104 . 14 1 1 A 15 15 GLU C C 15 177.222 177.961 -0.739 1
1 105 . 14 1 1 A 15 15 GLU CA C 15 58.127 58.102 0.025 1
1 106 . 14 1 1 A 15 15 GLU CB C 15 29.464 29.998 -0.534 1
1 108 . 14 1 1 A 15 15 GLU N N 15 120.367 117.835 2.532 1
1 109 . 14 1 1 A 16 16 CYS H H 16 8.075 8.061 0.014 1
1 110 . 14 1 1 A 16 16 CYS HA H 16 5.189 4.716 0.473 1
1 113 . 14 1 1 A 16 16 CYS C C 16 176.487 175.579 0.908 1
1 114 . 14 1 1 A 16 16 CYS CA C 16 58.273 59.286 -1.013 1
1 115 . 14 1 1 A 16 16 CYS CB C 16 32.589 30.418 2.171 1
1 116 . 14 1 1 A 16 16 CYS N N 16 115.028 114.953 0.075 1
1 117 . 14 1 1 A 17 17 GLY H H 17 8.119 8.317 -0.198 1
1 118 . 14 1 1 A 17 17 GLY HA2 H 17 3.740 4.062 -0.322 1
1 119 . 14 1 1 A 17 17 GLY HA3 H 17 4.184 4.080 0.104 1
1 120 . 14 1 1 A 17 17 GLY C C 17 173.579 174.231 -0.652 1
1 121 . 14 1 1 A 17 17 GLY CA C 17 46.154 45.239 0.915 1
1 122 . 14 1 1 A 17 17 GLY N N 17 113.446 110.308 3.138 1
1 123 . 14 1 1 A 18 18 LYS H H 18 7.999 7.575 0.424 1
1 124 . 14 1 1 A 18 18 LYS HA H 18 3.902 4.457 -0.555 1
1 133 . 14 1 1 A 18 18 LYS C C 18 173.431 175.782 -2.351 1
1 134 . 14 1 1 A 18 18 LYS CA C 18 58.308 55.229 3.079 1
1 135 . 14 1 1 A 18 18 LYS CB C 18 33.373 33.607 -0.234 1
1 139 . 14 1 1 A 18 18 LYS N N 18 123.594 121.957 1.637 1
1 140 . 14 1 1 A 19 19 ALA H H 19 7.690 8.566 -0.876 1
1 141 . 14 1 1 A 19 19 ALA HA H 19 5.156 5.582 -0.426 1
1 145 . 14 1 1 A 19 19 ALA C C 19 176.397 176.324 0.073 1
1 146 . 14 1 1 A 19 19 ALA CA C 19 50.116 50.834 -0.718 1
1 147 . 14 1 1 A 19 19 ALA CB C 19 22.761 21.205 1.556 1
1 148 . 14 1 1 A 19 19 ALA N N 19 124.433 128.734 -4.301 1
1 149 . 14 1 1 A 20 20 PHE H H 20 8.988 9.255 -0.267 1
1 150 . 14 1 1 A 20 20 PHE HA H 20 4.671 4.926 -0.255 1
1 158 . 14 1 1 A 20 20 PHE C C 20 175.608 176.647 -1.039 1
1 159 . 14 1 1 A 20 20 PHE CA C 20 57.288 56.220 1.068 1
1 160 . 14 1 1 A 20 20 PHE CB C 20 43.643 40.892 2.751 1
1 166 . 14 1 1 A 20 20 PHE N N 20 117.426 117.210 0.216 1
1 167 . 14 1 1 A 21 21 GLY H H 21 9.144 8.781 0.363 1
1 168 . 14 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 14 1 1 A 21 21 GLY HA3 H 21 4.380 3.989 0.391 1
1 170 . 14 1 1 A 21 21 GLY C C 21 173.415 174.384 -0.969 1
1 171 . 14 1 1 A 21 21 GLY CA C 21 46.269 47.459 -1.190 1
1 172 . 14 1 1 A 21 21 GLY N N 21 108.353 110.799 -2.446 1
1 173 . 14 1 1 A 22 22 LEU H H 22 7.492 7.858 -0.366 1
1 174 . 14 1 1 A 22 22 LEU HA H 22 4.888 4.811 0.077 1
1 184 . 14 1 1 A 22 22 LEU C C 22 176.995 176.675 0.320 1
1 185 . 14 1 1 A 22 22 LEU CA C 22 53.043 53.193 -0.150 1
1 186 . 14 1 1 A 22 22 LEU CB C 22 45.693 44.353 1.340 1
1 190 . 14 1 1 A 22 22 LEU N N 22 117.179 120.742 -3.563 1
1 191 . 14 1 1 A 23 23 LYS H H 23 8.346 8.402 -0.056 1
1 192 . 14 1 1 A 23 23 LYS HA H 23 3.000 2.559 0.441 1
1 201 . 14 1 1 A 23 23 LYS C C 23 178.113 178.099 0.014 1
1 202 . 14 1 1 A 23 23 LYS CA C 23 59.056 58.678 0.378 1
1 203 . 14 1 1 A 23 23 LYS CB C 23 31.452 32.272 -0.820 1
1 207 . 14 1 1 A 23 23 LYS N N 23 127.252 123.109 4.143 1
1 208 . 14 1 1 A 24 24 SER H H 24 8.360 8.145 0.215 1
1 209 . 14 1 1 A 24 24 SER HA H 24 3.865 3.981 -0.116 1
1 212 . 14 1 1 A 24 24 SER C C 24 176.854 176.537 0.317 1
1 213 . 14 1 1 A 24 24 SER CA C 24 60.651 61.792 -1.141 1
1 214 . 14 1 1 A 24 24 SER CB C 24 61.315 62.991 -1.676 1
1 215 . 14 1 1 A 24 24 SER N N 24 111.653 115.427 -3.774 1
1 216 . 14 1 1 A 25 25 GLN H H 25 6.647 8.150 -1.503 1
1 217 . 14 1 1 A 25 25 GLN HA H 25 3.895 3.935 -0.040 1
1 224 . 14 1 1 A 25 25 GLN C C 25 178.428 177.594 0.834 1
1 225 . 14 1 1 A 25 25 GLN CA C 25 57.613 58.923 -1.310 1
1 226 . 14 1 1 A 25 25 GLN CB C 25 28.573 28.354 0.219 1
1 228 . 14 1 1 A 25 25 GLN N N 25 119.141 120.912 -1.771 1
1 230 . 14 1 1 A 26 26 LEU H H 26 6.992 7.691 -0.699 1
1 231 . 14 1 1 A 26 26 LEU HA H 26 3.324 2.835 0.489 1
1 241 . 14 1 1 A 26 26 LEU C C 26 177.103 178.463 -1.360 1
1 242 . 14 1 1 A 26 26 LEU CA C 26 57.854 56.939 0.915 1
1 243 . 14 1 1 A 26 26 LEU CB C 26 40.350 41.911 -1.561 1
1 247 . 14 1 1 A 26 26 LEU N N 26 122.365 120.241 2.124 1
1 248 . 14 1 1 A 27 27 ILE H H 27 7.971 7.631 0.340 1
1 249 . 14 1 1 A 27 27 ILE HA H 27 3.725 3.715 0.010 1
1 259 . 14 1 1 A 27 27 ILE C C 27 178.803 178.538 0.265 1
1 260 . 14 1 1 A 27 27 ILE CA C 27 64.616 65.092 -0.476 1
1 261 . 14 1 1 A 27 27 ILE CB C 27 37.833 37.547 0.286 1
1 265 . 14 1 1 A 27 27 ILE N N 27 118.447 119.113 -0.666 1
1 266 . 14 1 1 A 28 28 ILE H H 28 7.047 8.056 -1.009 1
1 267 . 14 1 1 A 28 28 ILE HA H 28 3.572 3.784 -0.212 1
1 277 . 14 1 1 A 28 28 ILE C C 28 178.591 178.326 0.265 1
1 278 . 14 1 1 A 28 28 ILE CA C 28 64.607 63.507 1.100 1
1 279 . 14 1 1 A 28 28 ILE CB C 28 38.385 36.621 1.764 1
1 283 . 14 1 1 A 28 28 ILE N N 28 118.309 121.323 -3.014 1
1 284 . 14 1 1 A 29 29 HIS H H 29 7.575 7.484 0.091 1
1 285 . 14 1 1 A 29 29 HIS HA H 29 4.116 4.183 -0.067 1
1 290 . 14 1 1 A 29 29 HIS C C 29 176.399 177.381 -0.982 1
1 291 . 14 1 1 A 29 29 HIS CA C 29 59.638 59.345 0.293 1
1 292 . 14 1 1 A 29 29 HIS CB C 29 28.686 29.655 -0.969 1
1 295 . 14 1 1 A 29 29 HIS N N 29 120.367 120.726 -0.359 1
1 296 . 14 1 1 A 30 30 GLU H H 30 8.691 8.781 -0.090 1
1 297 . 14 1 1 A 30 30 GLU HA H 30 3.695 3.908 -0.213 1
1 302 . 14 1 1 A 30 30 GLU C C 30 178.190 178.968 -0.778 1
1 303 . 14 1 1 A 30 30 GLU CA C 30 60.106 59.872 0.234 1
1 304 . 14 1 1 A 30 30 GLU CB C 30 29.866 29.196 0.670 1
1 306 . 14 1 1 A 30 30 GLU N N 30 116.137 117.733 -1.596 1
1 307 . 14 1 1 A 31 31 ARG H H 31 7.138 7.907 -0.769 1
1 308 . 14 1 1 A 31 31 ARG HA H 31 4.178 4.002 0.176 1
1 315 . 14 1 1 A 31 31 ARG C C 31 178.912 179.068 -0.156 1
1 316 . 14 1 1 A 31 31 ARG CA C 31 58.400 58.574 -0.174 1
1 317 . 14 1 1 A 31 31 ARG CB C 31 30.069 30.079 -0.010 1
1 320 . 14 1 1 A 31 31 ARG N N 31 116.943 119.439 -2.496 1
1 321 . 14 1 1 A 32 32 ILE H H 32 7.978 7.649 0.329 1
1 322 . 14 1 1 A 32 32 ILE HA H 32 3.935 3.688 0.247 1
1 332 . 14 1 1 A 32 32 ILE C C 32 177.623 177.743 -0.120 1
1 333 . 14 1 1 A 32 32 ILE CA C 32 63.351 63.940 -0.589 1
1 334 . 14 1 1 A 32 32 ILE CB C 32 37.667 36.921 0.746 1
1 338 . 14 1 1 A 32 32 ILE N N 32 117.036 116.595 0.441 1
1 339 . 14 1 1 A 33 33 HIS H H 33 7.209 7.039 0.170 1
1 340 . 14 1 1 A 33 33 HIS HA H 33 4.820 4.438 0.382 1
1 345 . 14 1 1 A 33 33 HIS C C 33 175.937 178.052 -2.115 1
1 346 . 14 1 1 A 33 33 HIS CA C 33 55.352 59.083 -3.731 1
1 347 . 14 1 1 A 33 33 HIS CB C 33 28.527 30.642 -2.115 1
1 350 . 14 1 1 A 33 33 HIS N N 33 117.235 120.743 -3.508 1
1 351 . 14 1 1 A 34 34 THR H H 34 7.749 8.112 -0.363 1
1 352 . 14 1 1 A 34 34 THR HA H 34 4.369 4.132 0.237 1
1 357 . 14 1 1 A 34 34 THR C C 34 175.653 176.296 -0.643 1
1 358 . 14 1 1 A 34 34 THR CA C 34 62.438 65.280 -2.842 1
1 359 . 14 1 1 A 34 34 THR CB C 34 69.975 68.466 1.509 1
1 361 . 14 1 1 A 34 34 THR N N 34 110.763 113.355 -2.592 1
1 362 . 14 1 1 A 35 35 GLY H H 35 8.174 7.441 0.733 1
1 363 . 14 1 1 A 35 35 GLY HA2 H 35 4.059 3.766 0.293 1
1 364 . 14 1 1 A 35 35 GLY HA3 H 35 3.950 3.776 0.174 1
1 365 . 14 1 1 A 35 35 GLY C C 35 174.334 175.270 -0.936 1
1 366 . 14 1 1 A 35 35 GLY CA C 35 45.450 46.668 -1.218 1
1 367 . 14 1 1 A 35 35 GLY N N 35 110.516 109.847 0.669 1
1 368 . 14 1 1 A 36 36 GLU H H 36 8.130 7.895 0.235 1
1 369 . 14 1 1 A 36 36 GLU HA H 36 4.311 4.248 0.063 1
1 374 . 14 1 1 A 36 36 GLU C C 36 176.510 176.535 -0.025 1
1 375 . 14 1 1 A 36 36 GLU CA C 36 56.629 57.596 -0.967 1
1 376 . 14 1 1 A 36 36 GLU CB C 36 30.535 29.817 0.718 1
1 378 . 14 1 1 A 36 36 GLU N N 36 120.680 120.392 0.288 1
1 379 . 14 1 1 A 37 37 SER H H 37 8.391 8.677 -0.286 1
1 380 . 14 1 1 A 37 37 SER HA H 37 4.481 4.594 -0.113 1
1 383 . 14 1 1 A 37 37 SER C C 37 174.576 173.686 0.890 1
1 384 . 14 1 1 A 37 37 SER CA C 37 58.300 59.321 -1.021 1
1 385 . 14 1 1 A 37 37 SER CB C 37 63.990 63.484 0.506 1
1 386 . 14 1 1 A 37 37 SER N N 37 116.733 119.921 -3.188 1
1 387 . 14 1 1 A 38 38 GLY H H 38 8.240 8.456 -0.216 1
1 388 . 14 1 1 A 38 38 GLY HA2 H 38 4.158 4.226 -0.068 1
1 389 . 14 1 1 A 38 38 GLY HA3 H 38 4.064 4.235 -0.171 1
1 390 . 14 1 1 A 38 38 GLY C C 38 171.698 173.636 -1.938 1
1 391 . 14 1 1 A 38 38 GLY CA C 38 44.560 45.627 -1.067 1
1 392 . 14 1 1 A 38 38 GLY N N 38 110.538 112.753 -2.215 1
1 393 . 14 1 1 A 39 39 PRO HA H 39 4.474 4.332 0.142 1
1 400 . 14 1 1 A 39 39 PRO C C 39 177.358 177.577 -0.219 1
1 401 . 14 1 1 A 39 39 PRO CA C 39 63.172 65.019 -1.847 1
1 402 . 14 1 1 A 39 39 PRO CB C 39 32.197 32.187 0.010 1
1 405 . 14 1 1 A 40 40 SER H H 40 8.542 8.101 0.441 1
1 406 . 14 1 1 A 40 40 SER C C 40 174.651 173.712 0.939 1
1 407 . 14 1 1 A 40 40 SER CA C 40 58.452 59.806 -1.354 1
1 408 . 14 1 1 A 40 40 SER CB C 40 63.972 64.971 -0.999 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.956 4.143 -0.187 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.956 4.147 -0.191 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.066 172.379 1.687 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.322 44.640 0.682 1
1 5 . 15 1 1 A 8 8 GLN H H 8 8.173 8.535 -0.362 1
1 6 . 15 1 1 A 8 8 GLN HA H 8 4.244 5.093 -0.849 1
1 13 . 15 1 1 A 8 8 GLN C C 8 176.010 174.368 1.642 1
1 14 . 15 1 1 A 8 8 GLN CA C 8 56.057 54.246 1.811 1
1 15 . 15 1 1 A 8 8 GLN CB C 8 29.452 31.714 -2.262 1
1 17 . 15 1 1 A 8 8 GLN N N 8 119.348 120.909 -1.561 1
1 19 . 15 1 1 A 9 9 LYS H H 9 8.307 8.631 -0.324 1
1 20 . 15 1 1 A 9 9 LYS HA H 9 4.522 5.054 -0.532 1
1 29 . 15 1 1 A 9 9 LYS C C 9 173.766 175.346 -1.580 1
1 30 . 15 1 1 A 9 9 LYS CA C 9 53.843 53.132 0.711 1
1 31 . 15 1 1 A 9 9 LYS CB C 9 33.164 33.266 -0.102 1
1 35 . 15 1 1 A 9 9 LYS N N 9 122.358 123.622 -1.264 1
1 36 . 15 1 1 A 10 10 PRO HA H 10 4.279 4.365 -0.086 1
1 43 . 15 1 1 A 10 10 PRO C C 10 176.401 175.954 0.447 1
1 44 . 15 1 1 A 10 10 PRO CA C 10 63.416 64.947 -1.531 1
1 45 . 15 1 1 A 10 10 PRO CB C 10 32.288 31.781 0.507 1
1 48 . 15 1 1 A 11 11 TYR H H 11 7.923 7.847 0.076 1
1 49 . 15 1 1 A 11 11 TYR HA H 11 4.623 4.702 -0.079 1
1 56 . 15 1 1 A 11 11 TYR C C 11 174.286 175.948 -1.662 1
1 57 . 15 1 1 A 11 11 TYR CA C 11 57.971 57.710 0.261 1
1 58 . 15 1 1 A 11 11 TYR CB C 11 38.024 37.914 0.110 1
1 63 . 15 1 1 A 11 11 TYR N N 11 119.366 117.915 1.451 1
1 64 . 15 1 1 A 12 12 VAL H H 12 8.401 8.958 -0.557 1
1 65 . 15 1 1 A 12 12 VAL HA H 12 4.579 4.756 -0.177 1
1 73 . 15 1 1 A 12 12 VAL C C 12 175.233 175.733 -0.500 1
1 74 . 15 1 1 A 12 12 VAL CA C 12 61.292 60.848 0.444 1
1 75 . 15 1 1 A 12 12 VAL CB C 12 34.524 34.544 -0.020 1
1 78 . 15 1 1 A 12 12 VAL N N 12 125.266 123.830 1.436 1
1 79 . 15 1 1 A 13 13 CYS H H 13 9.209 9.430 -0.221 1
1 80 . 15 1 1 A 13 13 CYS HA H 13 4.594 4.547 0.047 1
1 83 . 15 1 1 A 13 13 CYS C C 13 177.334 175.923 1.411 1
1 84 . 15 1 1 A 13 13 CYS CA C 13 59.708 60.268 -0.560 1
1 85 . 15 1 1 A 13 13 CYS CB C 13 29.650 29.142 0.508 1
1 86 . 15 1 1 A 13 13 CYS N N 13 129.222 127.831 1.391 1
1 87 . 15 1 1 A 14 14 ASN H H 14 9.507 9.074 0.433 1
1 88 . 15 1 1 A 14 14 ASN HA H 14 4.511 4.783 -0.272 1
1 93 . 15 1 1 A 14 14 ASN C C 14 175.327 175.706 -0.379 1
1 94 . 15 1 1 A 14 14 ASN CA C 14 55.760 54.596 1.164 1
1 95 . 15 1 1 A 14 14 ASN CB C 14 38.946 38.617 0.329 1
1 96 . 15 1 1 A 14 14 ASN N N 14 130.952 126.576 4.376 1
1 98 . 15 1 1 A 15 15 GLU H H 15 8.759 8.027 0.732 1
1 99 . 15 1 1 A 15 15 GLU HA H 15 4.236 4.256 -0.020 1
1 104 . 15 1 1 A 15 15 GLU C C 15 177.222 178.120 -0.898 1
1 105 . 15 1 1 A 15 15 GLU CA C 15 58.127 57.939 0.188 1
1 106 . 15 1 1 A 15 15 GLU CB C 15 29.464 30.351 -0.887 1
1 108 . 15 1 1 A 15 15 GLU N N 15 120.367 117.491 2.876 1
1 109 . 15 1 1 A 16 16 CYS H H 16 8.075 8.177 -0.102 1
1 110 . 15 1 1 A 16 16 CYS HA H 16 5.189 4.691 0.498 1
1 113 . 15 1 1 A 16 16 CYS C C 16 176.487 175.548 0.939 1
1 114 . 15 1 1 A 16 16 CYS CA C 16 58.273 59.511 -1.238 1
1 115 . 15 1 1 A 16 16 CYS CB C 16 32.589 30.108 2.481 1
1 116 . 15 1 1 A 16 16 CYS N N 16 115.028 114.604 0.424 1
1 117 . 15 1 1 A 17 17 GLY H H 17 8.119 8.291 -0.172 1
1 118 . 15 1 1 A 17 17 GLY HA2 H 17 3.740 4.055 -0.315 1
1 119 . 15 1 1 A 17 17 GLY HA3 H 17 4.184 4.072 0.112 1
1 120 . 15 1 1 A 17 17 GLY C C 17 173.579 174.548 -0.969 1
1 121 . 15 1 1 A 17 17 GLY CA C 17 46.154 45.187 0.967 1
1 122 . 15 1 1 A 17 17 GLY N N 17 113.446 110.283 3.163 1
1 123 . 15 1 1 A 18 18 LYS H H 18 7.999 7.653 0.346 1
1 124 . 15 1 1 A 18 18 LYS HA H 18 3.902 4.221 -0.319 1
1 133 . 15 1 1 A 18 18 LYS C C 18 173.431 176.125 -2.694 1
1 134 . 15 1 1 A 18 18 LYS CA C 18 58.308 55.658 2.650 1
1 135 . 15 1 1 A 18 18 LYS CB C 18 33.373 32.980 0.393 1
1 139 . 15 1 1 A 18 18 LYS N N 18 123.594 122.656 0.938 1
1 140 . 15 1 1 A 19 19 ALA H H 19 7.690 8.443 -0.753 1
1 141 . 15 1 1 A 19 19 ALA HA H 19 5.156 5.628 -0.472 1
1 145 . 15 1 1 A 19 19 ALA C C 19 176.397 176.099 0.298 1
1 146 . 15 1 1 A 19 19 ALA CA C 19 50.116 50.875 -0.759 1
1 147 . 15 1 1 A 19 19 ALA CB C 19 22.761 21.167 1.594 1
1 148 . 15 1 1 A 19 19 ALA N N 19 124.433 128.853 -4.420 1
1 149 . 15 1 1 A 20 20 PHE H H 20 8.988 9.274 -0.286 1
1 150 . 15 1 1 A 20 20 PHE HA H 20 4.671 4.908 -0.237 1
1 158 . 15 1 1 A 20 20 PHE C C 20 175.608 176.717 -1.109 1
1 159 . 15 1 1 A 20 20 PHE CA C 20 57.288 56.191 1.097 1
1 160 . 15 1 1 A 20 20 PHE CB C 20 43.643 40.944 2.699 1
1 166 . 15 1 1 A 20 20 PHE N N 20 117.426 117.668 -0.242 1
1 167 . 15 1 1 A 21 21 GLY H H 21 9.144 8.802 0.342 1
1 168 . 15 1 1 A 21 21 GLY HA2 H 21 4.066 3.933 0.133 1
1 169 . 15 1 1 A 21 21 GLY HA3 H 21 4.380 3.994 0.386 1
1 170 . 15 1 1 A 21 21 GLY C C 21 173.415 174.361 -0.946 1
1 171 . 15 1 1 A 21 21 GLY CA C 21 46.269 47.316 -1.047 1
1 172 . 15 1 1 A 21 21 GLY N N 21 108.353 110.801 -2.448 1
1 173 . 15 1 1 A 22 22 LEU H H 22 7.492 7.842 -0.350 1
1 174 . 15 1 1 A 22 22 LEU HA H 22 4.888 4.796 0.092 1
1 184 . 15 1 1 A 22 22 LEU C C 22 176.995 176.626 0.369 1
1 185 . 15 1 1 A 22 22 LEU CA C 22 53.043 53.172 -0.129 1
1 186 . 15 1 1 A 22 22 LEU CB C 22 45.693 44.451 1.242 1
1 190 . 15 1 1 A 22 22 LEU N N 22 117.179 120.889 -3.710 1
1 191 . 15 1 1 A 23 23 LYS H H 23 8.346 8.437 -0.091 1
1 192 . 15 1 1 A 23 23 LYS HA H 23 3.000 2.493 0.507 1
1 201 . 15 1 1 A 23 23 LYS C C 23 178.113 178.011 0.102 1
1 202 . 15 1 1 A 23 23 LYS CA C 23 59.056 58.687 0.369 1
1 203 . 15 1 1 A 23 23 LYS CB C 23 31.452 32.338 -0.886 1
1 207 . 15 1 1 A 23 23 LYS N N 23 127.252 123.107 4.145 1
1 208 . 15 1 1 A 24 24 SER H H 24 8.360 8.168 0.192 1
1 209 . 15 1 1 A 24 24 SER HA H 24 3.865 3.990 -0.125 1
1 212 . 15 1 1 A 24 24 SER C C 24 176.854 176.516 0.338 1
1 213 . 15 1 1 A 24 24 SER CA C 24 60.651 61.847 -1.196 1
1 214 . 15 1 1 A 24 24 SER CB C 24 61.315 62.921 -1.606 1
1 215 . 15 1 1 A 24 24 SER N N 24 111.653 114.865 -3.212 1
1 216 . 15 1 1 A 25 25 GLN H H 25 6.647 8.099 -1.452 1
1 217 . 15 1 1 A 25 25 GLN HA H 25 3.895 3.909 -0.014 1
1 224 . 15 1 1 A 25 25 GLN C C 25 178.428 178.054 0.374 1
1 225 . 15 1 1 A 25 25 GLN CA C 25 57.613 58.925 -1.312 1
1 226 . 15 1 1 A 25 25 GLN CB C 25 28.573 28.141 0.432 1
1 228 . 15 1 1 A 25 25 GLN N N 25 119.141 121.199 -2.058 1
1 230 . 15 1 1 A 26 26 LEU H H 26 6.992 7.767 -0.775 1
1 231 . 15 1 1 A 26 26 LEU HA H 26 3.324 2.863 0.461 1
1 241 . 15 1 1 A 26 26 LEU C C 26 177.103 178.189 -1.086 1
1 242 . 15 1 1 A 26 26 LEU CA C 26 57.854 57.079 0.775 1
1 243 . 15 1 1 A 26 26 LEU CB C 26 40.350 41.625 -1.275 1
1 247 . 15 1 1 A 26 26 LEU N N 26 122.365 120.136 2.229 1
1 248 . 15 1 1 A 27 27 ILE H H 27 7.971 7.820 0.151 1
1 249 . 15 1 1 A 27 27 ILE HA H 27 3.725 3.719 0.006 1
1 259 . 15 1 1 A 27 27 ILE C C 27 178.803 178.109 0.694 1
1 260 . 15 1 1 A 27 27 ILE CA C 27 64.616 65.337 -0.721 1
1 261 . 15 1 1 A 27 27 ILE CB C 27 37.833 37.858 -0.025 1
1 265 . 15 1 1 A 27 27 ILE N N 27 118.447 119.360 -0.913 1
1 266 . 15 1 1 A 28 28 ILE H H 28 7.047 7.999 -0.952 1
1 267 . 15 1 1 A 28 28 ILE HA H 28 3.572 3.684 -0.112 1
1 277 . 15 1 1 A 28 28 ILE C C 28 178.591 178.332 0.259 1
1 278 . 15 1 1 A 28 28 ILE CA C 28 64.607 64.357 0.250 1
1 279 . 15 1 1 A 28 28 ILE CB C 28 38.385 36.680 1.705 1
1 283 . 15 1 1 A 28 28 ILE N N 28 118.309 120.808 -2.499 1
1 284 . 15 1 1 A 29 29 HIS H H 29 7.575 7.592 -0.017 1
1 285 . 15 1 1 A 29 29 HIS HA H 29 4.116 4.150 -0.034 1
1 290 . 15 1 1 A 29 29 HIS C C 29 176.399 177.313 -0.914 1
1 291 . 15 1 1 A 29 29 HIS CA C 29 59.638 59.557 0.081 1
1 292 . 15 1 1 A 29 29 HIS CB C 29 28.686 29.561 -0.875 1
1 295 . 15 1 1 A 29 29 HIS N N 29 120.367 120.421 -0.054 1
1 296 . 15 1 1 A 30 30 GLU H H 30 8.691 8.735 -0.044 1
1 297 . 15 1 1 A 30 30 GLU HA H 30 3.695 3.930 -0.235 1
1 302 . 15 1 1 A 30 30 GLU C C 30 178.190 179.255 -1.065 1
1 303 . 15 1 1 A 30 30 GLU CA C 30 60.106 59.929 0.177 1
1 304 . 15 1 1 A 30 30 GLU CB C 30 29.866 29.197 0.669 1
1 306 . 15 1 1 A 30 30 GLU N N 30 116.137 117.421 -1.284 1
1 307 . 15 1 1 A 31 31 ARG H H 31 7.138 7.893 -0.755 1
1 308 . 15 1 1 A 31 31 ARG HA H 31 4.178 4.171 0.007 1
1 315 . 15 1 1 A 31 31 ARG C C 31 178.912 178.991 -0.079 1
1 316 . 15 1 1 A 31 31 ARG CA C 31 58.400 58.940 -0.540 1
1 317 . 15 1 1 A 31 31 ARG CB C 31 30.069 29.840 0.229 1
1 320 . 15 1 1 A 31 31 ARG N N 31 116.943 119.669 -2.726 1
1 321 . 15 1 1 A 32 32 ILE H H 32 7.978 7.696 0.282 1
1 322 . 15 1 1 A 32 32 ILE HA H 32 3.935 3.689 0.246 1
1 332 . 15 1 1 A 32 32 ILE C C 32 177.623 177.591 0.032 1
1 333 . 15 1 1 A 32 32 ILE CA C 32 63.351 64.162 -0.811 1
1 334 . 15 1 1 A 32 32 ILE CB C 32 37.667 37.050 0.617 1
1 338 . 15 1 1 A 32 32 ILE N N 32 117.036 117.126 -0.090 1
1 339 . 15 1 1 A 33 33 HIS H H 33 7.209 7.190 0.019 1
1 340 . 15 1 1 A 33 33 HIS HA H 33 4.820 4.445 0.375 1
1 345 . 15 1 1 A 33 33 HIS C C 33 175.937 178.037 -2.100 1
1 346 . 15 1 1 A 33 33 HIS CA C 33 55.352 58.990 -3.638 1
1 347 . 15 1 1 A 33 33 HIS CB C 33 28.527 30.706 -2.179 1
1 350 . 15 1 1 A 33 33 HIS N N 33 117.235 120.807 -3.572 1
1 351 . 15 1 1 A 34 34 THR H H 34 7.749 8.066 -0.317 1
1 352 . 15 1 1 A 34 34 THR HA H 34 4.369 4.146 0.223 1
1 357 . 15 1 1 A 34 34 THR C C 34 175.653 174.760 0.893 1
1 358 . 15 1 1 A 34 34 THR CA C 34 62.438 64.655 -2.217 1
1 359 . 15 1 1 A 34 34 THR CB C 34 69.975 68.573 1.402 1
1 361 . 15 1 1 A 34 34 THR N N 34 110.763 113.003 -2.240 1
1 362 . 15 1 1 A 35 35 GLY H H 35 8.174 7.634 0.540 1
1 363 . 15 1 1 A 35 35 GLY HA2 H 35 4.059 4.016 0.043 1
1 364 . 15 1 1 A 35 35 GLY HA3 H 35 3.950 4.027 -0.077 1
1 365 . 15 1 1 A 35 35 GLY C C 35 174.334 172.573 1.761 1
1 366 . 15 1 1 A 35 35 GLY CA C 35 45.450 44.923 0.527 1
1 367 . 15 1 1 A 35 35 GLY N N 35 110.516 108.925 1.591 1
1 368 . 15 1 1 A 36 36 GLU H H 36 8.130 8.524 -0.394 1
1 369 . 15 1 1 A 36 36 GLU HA H 36 4.311 4.670 -0.359 1
1 374 . 15 1 1 A 36 36 GLU C C 36 176.510 177.188 -0.678 1
1 375 . 15 1 1 A 36 36 GLU CA C 36 56.629 55.858 0.771 1
1 376 . 15 1 1 A 36 36 GLU CB C 36 30.535 30.749 -0.214 1
1 378 . 15 1 1 A 36 36 GLU N N 36 120.680 119.193 1.487 1
1 379 . 15 1 1 A 37 37 SER H H 37 8.391 8.704 -0.313 1
1 380 . 15 1 1 A 37 37 SER HA H 37 4.481 4.287 0.194 1
1 383 . 15 1 1 A 37 37 SER C C 37 174.576 174.330 0.246 1
1 384 . 15 1 1 A 37 37 SER CA C 37 58.300 59.872 -1.572 1
1 385 . 15 1 1 A 37 37 SER CB C 37 63.990 63.399 0.591 1
1 386 . 15 1 1 A 37 37 SER N N 37 116.733 116.341 0.392 1
1 387 . 15 1 1 A 38 38 GLY H H 38 8.240 7.290 0.950 1
1 388 . 15 1 1 A 38 38 GLY HA2 H 38 4.158 4.066 0.092 1
1 389 . 15 1 1 A 38 38 GLY HA3 H 38 4.064 4.067 -0.003 1
1 390 . 15 1 1 A 38 38 GLY C C 38 171.698 172.147 -0.449 1
1 391 . 15 1 1 A 38 38 GLY CA C 38 44.560 44.203 0.357 1
1 392 . 15 1 1 A 38 38 GLY N N 38 110.538 107.450 3.088 1
1 393 . 15 1 1 A 39 39 PRO HA H 39 4.474 4.253 0.221 1
1 400 . 15 1 1 A 39 39 PRO C C 39 177.358 176.771 0.587 1
1 401 . 15 1 1 A 39 39 PRO CA C 39 63.172 63.002 0.170 1
1 402 . 15 1 1 A 39 39 PRO CB C 39 32.197 32.603 -0.406 1
1 405 . 15 1 1 A 40 40 SER H H 40 8.542 8.611 -0.069 1
1 406 . 15 1 1 A 40 40 SER C C 40 174.651 173.111 1.540 1
1 407 . 15 1 1 A 40 40 SER CA C 40 58.452 59.185 -0.733 1
1 408 . 15 1 1 A 40 40 SER CB C 40 63.972 61.925 2.047 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.956 3.970 -0.014 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.956 3.975 -0.019 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.066 173.648 0.418 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.322 45.599 -0.277 1
1 5 . 16 1 1 A 8 8 GLN H H 8 8.173 8.278 -0.105 1
1 6 . 16 1 1 A 8 8 GLN HA H 8 4.244 4.276 -0.032 1
1 13 . 16 1 1 A 8 8 GLN C C 8 176.010 176.021 -0.011 1
1 14 . 16 1 1 A 8 8 GLN CA C 8 56.057 55.833 0.224 1
1 15 . 16 1 1 A 8 8 GLN CB C 8 29.452 28.998 0.454 1
1 17 . 16 1 1 A 8 8 GLN N N 8 119.348 120.592 -1.244 1
1 19 . 16 1 1 A 9 9 LYS H H 9 8.307 8.363 -0.056 1
1 20 . 16 1 1 A 9 9 LYS HA H 9 4.522 5.029 -0.507 1
1 29 . 16 1 1 A 9 9 LYS C C 9 173.766 175.249 -1.483 1
1 30 . 16 1 1 A 9 9 LYS CA C 9 53.843 53.187 0.656 1
1 31 . 16 1 1 A 9 9 LYS CB C 9 33.164 34.743 -1.579 1
1 35 . 16 1 1 A 9 9 LYS N N 9 122.358 122.076 0.282 1
1 36 . 16 1 1 A 10 10 PRO HA H 10 4.279 4.302 -0.023 1
1 43 . 16 1 1 A 10 10 PRO C C 10 176.401 175.934 0.467 1
1 44 . 16 1 1 A 10 10 PRO CA C 10 63.416 64.904 -1.488 1
1 45 . 16 1 1 A 10 10 PRO CB C 10 32.288 31.722 0.566 1
1 48 . 16 1 1 A 11 11 TYR H H 11 7.923 7.889 0.034 1
1 49 . 16 1 1 A 11 11 TYR HA H 11 4.623 4.688 -0.065 1
1 56 . 16 1 1 A 11 11 TYR C C 11 174.286 175.724 -1.438 1
1 57 . 16 1 1 A 11 11 TYR CA C 11 57.971 57.616 0.355 1
1 58 . 16 1 1 A 11 11 TYR CB C 11 38.024 37.688 0.336 1
1 63 . 16 1 1 A 11 11 TYR N N 11 119.366 117.733 1.633 1
1 64 . 16 1 1 A 12 12 VAL H H 12 8.401 8.573 -0.172 1
1 65 . 16 1 1 A 12 12 VAL HA H 12 4.579 4.854 -0.275 1
1 73 . 16 1 1 A 12 12 VAL C C 12 175.233 175.750 -0.517 1
1 74 . 16 1 1 A 12 12 VAL CA C 12 61.292 60.657 0.635 1
1 75 . 16 1 1 A 12 12 VAL CB C 12 34.524 34.542 -0.018 1
1 78 . 16 1 1 A 12 12 VAL N N 12 125.266 124.449 0.817 1
1 79 . 16 1 1 A 13 13 CYS H H 13 9.209 9.400 -0.191 1
1 80 . 16 1 1 A 13 13 CYS HA H 13 4.594 4.586 0.008 1
1 83 . 16 1 1 A 13 13 CYS C C 13 177.334 175.637 1.697 1
1 84 . 16 1 1 A 13 13 CYS CA C 13 59.708 60.070 -0.362 1
1 85 . 16 1 1 A 13 13 CYS CB C 13 29.650 28.454 1.196 1
1 86 . 16 1 1 A 13 13 CYS N N 13 129.222 127.891 1.331 1
1 87 . 16 1 1 A 14 14 ASN H H 14 9.507 9.148 0.359 1
1 88 . 16 1 1 A 14 14 ASN HA H 14 4.511 4.976 -0.465 1
1 93 . 16 1 1 A 14 14 ASN C C 14 175.327 175.557 -0.230 1
1 94 . 16 1 1 A 14 14 ASN CA C 14 55.760 53.567 2.193 1
1 95 . 16 1 1 A 14 14 ASN CB C 14 38.946 38.794 0.152 1
1 96 . 16 1 1 A 14 14 ASN N N 14 130.952 125.961 4.991 1
1 98 . 16 1 1 A 15 15 GLU H H 15 8.759 7.944 0.815 1
1 99 . 16 1 1 A 15 15 GLU HA H 15 4.236 4.353 -0.117 1
1 104 . 16 1 1 A 15 15 GLU C C 15 177.222 177.995 -0.773 1
1 105 . 16 1 1 A 15 15 GLU CA C 15 58.127 57.148 0.979 1
1 106 . 16 1 1 A 15 15 GLU CB C 15 29.464 30.570 -1.106 1
1 108 . 16 1 1 A 15 15 GLU N N 15 120.367 117.343 3.024 1
1 109 . 16 1 1 A 16 16 CYS H H 16 8.075 8.123 -0.048 1
1 110 . 16 1 1 A 16 16 CYS HA H 16 5.189 4.704 0.485 1
1 113 . 16 1 1 A 16 16 CYS C C 16 176.487 175.698 0.789 1
1 114 . 16 1 1 A 16 16 CYS CA C 16 58.273 59.287 -1.014 1
1 115 . 16 1 1 A 16 16 CYS CB C 16 32.589 30.405 2.184 1
1 116 . 16 1 1 A 16 16 CYS N N 16 115.028 115.061 -0.033 1
1 117 . 16 1 1 A 17 17 GLY H H 17 8.119 8.330 -0.211 1
1 118 . 16 1 1 A 17 17 GLY HA2 H 17 3.740 4.036 -0.296 1
1 119 . 16 1 1 A 17 17 GLY HA3 H 17 4.184 4.052 0.132 1
1 120 . 16 1 1 A 17 17 GLY C C 17 173.579 174.258 -0.679 1
1 121 . 16 1 1 A 17 17 GLY CA C 17 46.154 45.466 0.688 1
1 122 . 16 1 1 A 17 17 GLY N N 17 113.446 110.437 3.009 1
1 123 . 16 1 1 A 18 18 LYS H H 18 7.999 7.487 0.512 1
1 124 . 16 1 1 A 18 18 LYS HA H 18 3.902 4.440 -0.538 1
1 133 . 16 1 1 A 18 18 LYS C C 18 173.431 175.719 -2.288 1
1 134 . 16 1 1 A 18 18 LYS CA C 18 58.308 55.167 3.141 1
1 135 . 16 1 1 A 18 18 LYS CB C 18 33.373 33.364 0.009 1
1 139 . 16 1 1 A 18 18 LYS N N 18 123.594 121.868 1.726 1
1 140 . 16 1 1 A 19 19 ALA H H 19 7.690 8.539 -0.849 1
1 141 . 16 1 1 A 19 19 ALA HA H 19 5.156 5.538 -0.382 1
1 145 . 16 1 1 A 19 19 ALA C C 19 176.397 176.394 0.003 1
1 146 . 16 1 1 A 19 19 ALA CA C 19 50.116 50.985 -0.869 1
1 147 . 16 1 1 A 19 19 ALA CB C 19 22.761 21.165 1.596 1
1 148 . 16 1 1 A 19 19 ALA N N 19 124.433 128.935 -4.502 1
1 149 . 16 1 1 A 20 20 PHE H H 20 8.988 9.312 -0.324 1
1 150 . 16 1 1 A 20 20 PHE HA H 20 4.671 4.956 -0.285 1
1 158 . 16 1 1 A 20 20 PHE C C 20 175.608 176.717 -1.109 1
1 159 . 16 1 1 A 20 20 PHE CA C 20 57.288 56.043 1.245 1
1 160 . 16 1 1 A 20 20 PHE CB C 20 43.643 40.502 3.141 1
1 166 . 16 1 1 A 20 20 PHE N N 20 117.426 117.223 0.203 1
1 167 . 16 1 1 A 21 21 GLY H H 21 9.144 8.777 0.367 1
1 168 . 16 1 1 A 21 21 GLY HA2 H 21 4.066 3.951 0.115 1
1 169 . 16 1 1 A 21 21 GLY HA3 H 21 4.380 4.012 0.368 1
1 170 . 16 1 1 A 21 21 GLY C C 21 173.415 174.445 -1.030 1
1 171 . 16 1 1 A 21 21 GLY CA C 21 46.269 47.562 -1.293 1
1 172 . 16 1 1 A 21 21 GLY N N 21 108.353 110.853 -2.500 1
1 173 . 16 1 1 A 22 22 LEU H H 22 7.492 7.969 -0.477 1
1 174 . 16 1 1 A 22 22 LEU HA H 22 4.888 4.754 0.134 1
1 184 . 16 1 1 A 22 22 LEU C C 22 176.995 176.781 0.214 1
1 185 . 16 1 1 A 22 22 LEU CA C 22 53.043 53.436 -0.393 1
1 186 . 16 1 1 A 22 22 LEU CB C 22 45.693 44.280 1.413 1
1 190 . 16 1 1 A 22 22 LEU N N 22 117.179 120.910 -3.731 1
1 191 . 16 1 1 A 23 23 LYS H H 23 8.346 8.466 -0.120 1
1 192 . 16 1 1 A 23 23 LYS HA H 23 3.000 2.540 0.460 1
1 201 . 16 1 1 A 23 23 LYS C C 23 178.113 177.996 0.117 1
1 202 . 16 1 1 A 23 23 LYS CA C 23 59.056 58.764 0.292 1
1 203 . 16 1 1 A 23 23 LYS CB C 23 31.452 31.918 -0.466 1
1 207 . 16 1 1 A 23 23 LYS N N 23 127.252 123.019 4.233 1
1 208 . 16 1 1 A 24 24 SER H H 24 8.360 8.278 0.082 1
1 209 . 16 1 1 A 24 24 SER HA H 24 3.865 4.103 -0.238 1
1 212 . 16 1 1 A 24 24 SER C C 24 176.854 176.927 -0.073 1
1 213 . 16 1 1 A 24 24 SER CA C 24 60.651 61.149 -0.498 1
1 214 . 16 1 1 A 24 24 SER CB C 24 61.315 62.590 -1.275 1
1 215 . 16 1 1 A 24 24 SER N N 24 111.653 114.761 -3.108 1
1 216 . 16 1 1 A 25 25 GLN H H 25 6.647 8.006 -1.359 1
1 217 . 16 1 1 A 25 25 GLN HA H 25 3.895 3.922 -0.027 1
1 224 . 16 1 1 A 25 25 GLN C C 25 178.428 178.041 0.387 1
1 225 . 16 1 1 A 25 25 GLN CA C 25 57.613 58.952 -1.339 1
1 226 . 16 1 1 A 25 25 GLN CB C 25 28.573 28.165 0.408 1
1 228 . 16 1 1 A 25 25 GLN N N 25 119.141 121.452 -2.311 1
1 230 . 16 1 1 A 26 26 LEU H H 26 6.992 7.556 -0.564 1
1 231 . 16 1 1 A 26 26 LEU HA H 26 3.324 2.864 0.460 1
1 241 . 16 1 1 A 26 26 LEU C C 26 177.103 178.188 -1.085 1
1 242 . 16 1 1 A 26 26 LEU CA C 26 57.854 57.175 0.679 1
1 243 . 16 1 1 A 26 26 LEU CB C 26 40.350 41.534 -1.184 1
1 247 . 16 1 1 A 26 26 LEU N N 26 122.365 120.167 2.198 1
1 248 . 16 1 1 A 27 27 ILE H H 27 7.971 7.814 0.157 1
1 249 . 16 1 1 A 27 27 ILE HA H 27 3.725 3.736 -0.011 1
1 259 . 16 1 1 A 27 27 ILE C C 27 178.803 178.163 0.640 1
1 260 . 16 1 1 A 27 27 ILE CA C 27 64.616 65.356 -0.740 1
1 261 . 16 1 1 A 27 27 ILE CB C 27 37.833 37.902 -0.069 1
1 265 . 16 1 1 A 27 27 ILE N N 27 118.447 119.404 -0.957 1
1 266 . 16 1 1 A 28 28 ILE H H 28 7.047 8.047 -1.000 1
1 267 . 16 1 1 A 28 28 ILE HA H 28 3.572 3.670 -0.098 1
1 277 . 16 1 1 A 28 28 ILE C C 28 178.591 178.431 0.160 1
1 278 . 16 1 1 A 28 28 ILE CA C 28 64.607 64.465 0.142 1
1 279 . 16 1 1 A 28 28 ILE CB C 28 38.385 36.919 1.466 1
1 283 . 16 1 1 A 28 28 ILE N N 28 118.309 120.518 -2.209 1
1 284 . 16 1 1 A 29 29 HIS H H 29 7.575 7.556 0.019 1
1 285 . 16 1 1 A 29 29 HIS HA H 29 4.116 4.148 -0.032 1
1 290 . 16 1 1 A 29 29 HIS C C 29 176.399 177.076 -0.677 1
1 291 . 16 1 1 A 29 29 HIS CA C 29 59.638 59.661 -0.023 1
1 292 . 16 1 1 A 29 29 HIS CB C 29 28.686 29.554 -0.868 1
1 295 . 16 1 1 A 29 29 HIS N N 29 120.367 120.434 -0.067 1
1 296 . 16 1 1 A 30 30 GLU H H 30 8.691 8.735 -0.044 1
1 297 . 16 1 1 A 30 30 GLU HA H 30 3.695 3.997 -0.302 1
1 302 . 16 1 1 A 30 30 GLU C C 30 178.190 179.363 -1.173 1
1 303 . 16 1 1 A 30 30 GLU CA C 30 60.106 59.939 0.167 1
1 304 . 16 1 1 A 30 30 GLU CB C 30 29.866 29.337 0.529 1
1 306 . 16 1 1 A 30 30 GLU N N 30 116.137 117.390 -1.253 1
1 307 . 16 1 1 A 31 31 ARG H H 31 7.138 8.002 -0.864 1
1 308 . 16 1 1 A 31 31 ARG HA H 31 4.178 4.242 -0.064 1
1 315 . 16 1 1 A 31 31 ARG C C 31 178.912 178.960 -0.048 1
1 316 . 16 1 1 A 31 31 ARG CA C 31 58.400 58.969 -0.569 1
1 317 . 16 1 1 A 31 31 ARG CB C 31 30.069 29.892 0.177 1
1 320 . 16 1 1 A 31 31 ARG N N 31 116.943 119.685 -2.742 1
1 321 . 16 1 1 A 32 32 ILE H H 32 7.978 7.773 0.205 1
1 322 . 16 1 1 A 32 32 ILE HA H 32 3.935 3.666 0.269 1
1 332 . 16 1 1 A 32 32 ILE C C 32 177.623 177.630 -0.007 1
1 333 . 16 1 1 A 32 32 ILE CA C 32 63.351 64.203 -0.852 1
1 334 . 16 1 1 A 32 32 ILE CB C 32 37.667 37.208 0.459 1
1 338 . 16 1 1 A 32 32 ILE N N 32 117.036 117.414 -0.378 1
1 339 . 16 1 1 A 33 33 HIS H H 33 7.209 7.302 -0.093 1
1 340 . 16 1 1 A 33 33 HIS HA H 33 4.820 4.441 0.379 1
1 345 . 16 1 1 A 33 33 HIS C C 33 175.937 178.060 -2.123 1
1 346 . 16 1 1 A 33 33 HIS CA C 33 55.352 59.142 -3.790 1
1 347 . 16 1 1 A 33 33 HIS CB C 33 28.527 30.579 -2.052 1
1 350 . 16 1 1 A 33 33 HIS N N 33 117.235 121.217 -3.982 1
1 351 . 16 1 1 A 34 34 THR H H 34 7.749 8.271 -0.522 1
1 352 . 16 1 1 A 34 34 THR HA H 34 4.369 4.146 0.223 1
1 357 . 16 1 1 A 34 34 THR C C 34 175.653 175.675 -0.022 1
1 358 . 16 1 1 A 34 34 THR CA C 34 62.438 65.236 -2.798 1
1 359 . 16 1 1 A 34 34 THR CB C 34 69.975 68.432 1.543 1
1 361 . 16 1 1 A 34 34 THR N N 34 110.763 113.430 -2.667 1
1 362 . 16 1 1 A 35 35 GLY H H 35 8.174 7.434 0.740 1
1 363 . 16 1 1 A 35 35 GLY HA2 H 35 4.059 4.038 0.021 1
1 364 . 16 1 1 A 35 35 GLY HA3 H 35 3.950 4.049 -0.099 1
1 365 . 16 1 1 A 35 35 GLY C C 35 174.334 174.822 -0.488 1
1 366 . 16 1 1 A 35 35 GLY CA C 35 45.450 44.225 1.225 1
1 367 . 16 1 1 A 35 35 GLY N N 35 110.516 110.186 0.330 1
1 368 . 16 1 1 A 36 36 GLU H H 36 8.130 8.797 -0.667 1
1 369 . 16 1 1 A 36 36 GLU HA H 36 4.311 4.265 0.046 1
1 374 . 16 1 1 A 36 36 GLU C C 36 176.510 177.148 -0.638 1
1 375 . 16 1 1 A 36 36 GLU CA C 36 56.629 58.725 -2.096 1
1 376 . 16 1 1 A 36 36 GLU CB C 36 30.535 30.484 0.051 1
1 378 . 16 1 1 A 36 36 GLU N N 36 120.680 120.192 0.488 1
1 379 . 16 1 1 A 37 37 SER H H 37 8.391 7.751 0.640 1
1 380 . 16 1 1 A 37 37 SER HA H 37 4.481 4.199 0.282 1
1 383 . 16 1 1 A 37 37 SER C C 37 174.576 174.246 0.330 1
1 384 . 16 1 1 A 37 37 SER CA C 37 58.300 59.759 -1.459 1
1 385 . 16 1 1 A 37 37 SER CB C 37 63.990 63.222 0.768 1
1 386 . 16 1 1 A 37 37 SER N N 37 116.733 115.270 1.463 1
1 387 . 16 1 1 A 38 38 GLY H H 38 8.240 8.674 -0.434 1
1 388 . 16 1 1 A 38 38 GLY HA2 H 38 4.158 4.161 -0.003 1
1 389 . 16 1 1 A 38 38 GLY HA3 H 38 4.064 4.173 -0.109 1
1 390 . 16 1 1 A 38 38 GLY C C 38 171.698 173.879 -2.181 1
1 391 . 16 1 1 A 38 38 GLY CA C 38 44.560 44.334 0.226 1
1 392 . 16 1 1 A 38 38 GLY N N 38 110.538 113.392 -2.854 1
1 393 . 16 1 1 A 39 39 PRO HA H 39 4.474 4.540 -0.066 1
1 400 . 16 1 1 A 39 39 PRO C C 39 177.358 175.901 1.457 1
1 401 . 16 1 1 A 39 39 PRO CA C 39 63.172 63.722 -0.550 1
1 402 . 16 1 1 A 39 39 PRO CB C 39 32.197 31.689 0.508 1
1 405 . 16 1 1 A 40 40 SER H H 40 8.542 7.805 0.737 1
1 406 . 16 1 1 A 40 40 SER C C 40 174.651 173.743 0.908 1
1 407 . 16 1 1 A 40 40 SER CA C 40 58.452 56.559 1.893 1
1 408 . 16 1 1 A 40 40 SER CB C 40 63.972 64.564 -0.592 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.956 4.169 -0.213 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.956 4.171 -0.215 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.066 172.463 1.603 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.322 45.430 -0.108 1
1 5 . 17 1 1 A 8 8 GLN H H 8 8.173 9.030 -0.857 1
1 6 . 17 1 1 A 8 8 GLN HA H 8 4.244 5.086 -0.842 1
1 13 . 17 1 1 A 8 8 GLN C C 8 176.010 174.140 1.870 1
1 14 . 17 1 1 A 8 8 GLN CA C 8 56.057 54.547 1.510 1
1 15 . 17 1 1 A 8 8 GLN CB C 8 29.452 30.899 -1.447 1
1 17 . 17 1 1 A 8 8 GLN N N 8 119.348 121.754 -2.406 1
1 19 . 17 1 1 A 9 9 LYS H H 9 8.307 8.779 -0.472 1
1 20 . 17 1 1 A 9 9 LYS HA H 9 4.522 5.067 -0.545 1
1 29 . 17 1 1 A 9 9 LYS C C 9 173.766 175.255 -1.489 1
1 30 . 17 1 1 A 9 9 LYS CA C 9 53.843 53.408 0.435 1
1 31 . 17 1 1 A 9 9 LYS CB C 9 33.164 33.408 -0.244 1
1 35 . 17 1 1 A 9 9 LYS N N 9 122.358 124.485 -2.127 1
1 36 . 17 1 1 A 10 10 PRO HA H 10 4.279 4.387 -0.108 1
1 43 . 17 1 1 A 10 10 PRO C C 10 176.401 175.986 0.415 1
1 44 . 17 1 1 A 10 10 PRO CA C 10 63.416 64.929 -1.513 1
1 45 . 17 1 1 A 10 10 PRO CB C 10 32.288 31.754 0.534 1
1 48 . 17 1 1 A 11 11 TYR H H 11 7.923 7.892 0.031 1
1 49 . 17 1 1 A 11 11 TYR HA H 11 4.623 4.719 -0.096 1
1 56 . 17 1 1 A 11 11 TYR C C 11 174.286 175.566 -1.280 1
1 57 . 17 1 1 A 11 11 TYR CA C 11 57.971 57.449 0.522 1
1 58 . 17 1 1 A 11 11 TYR CB C 11 38.024 37.696 0.328 1
1 63 . 17 1 1 A 11 11 TYR N N 11 119.366 117.907 1.459 1
1 64 . 17 1 1 A 12 12 VAL H H 12 8.401 8.580 -0.179 1
1 65 . 17 1 1 A 12 12 VAL HA H 12 4.579 4.920 -0.341 1
1 73 . 17 1 1 A 12 12 VAL C C 12 175.233 175.250 -0.017 1
1 74 . 17 1 1 A 12 12 VAL CA C 12 61.292 60.633 0.659 1
1 75 . 17 1 1 A 12 12 VAL CB C 12 34.524 34.721 -0.197 1
1 78 . 17 1 1 A 12 12 VAL N N 12 125.266 124.412 0.854 1
1 79 . 17 1 1 A 13 13 CYS H H 13 9.209 9.213 -0.004 1
1 80 . 17 1 1 A 13 13 CYS HA H 13 4.594 4.683 -0.089 1
1 83 . 17 1 1 A 13 13 CYS C C 13 177.334 175.959 1.375 1
1 84 . 17 1 1 A 13 13 CYS CA C 13 59.708 59.414 0.294 1
1 85 . 17 1 1 A 13 13 CYS CB C 13 29.650 28.411 1.239 1
1 86 . 17 1 1 A 13 13 CYS N N 13 129.222 126.738 2.484 1
1 87 . 17 1 1 A 14 14 ASN H H 14 9.507 9.093 0.414 1
1 88 . 17 1 1 A 14 14 ASN HA H 14 4.511 4.708 -0.197 1
1 93 . 17 1 1 A 14 14 ASN C C 14 175.327 176.153 -0.826 1
1 94 . 17 1 1 A 14 14 ASN CA C 14 55.760 54.949 0.811 1
1 95 . 17 1 1 A 14 14 ASN CB C 14 38.946 38.210 0.736 1
1 96 . 17 1 1 A 14 14 ASN N N 14 130.952 126.532 4.420 1
1 98 . 17 1 1 A 15 15 GLU H H 15 8.759 7.973 0.786 1
1 99 . 17 1 1 A 15 15 GLU HA H 15 4.236 4.125 0.111 1
1 104 . 17 1 1 A 15 15 GLU C C 15 177.222 177.953 -0.731 1
1 105 . 17 1 1 A 15 15 GLU CA C 15 58.127 58.415 -0.288 1
1 106 . 17 1 1 A 15 15 GLU CB C 15 29.464 30.013 -0.549 1
1 108 . 17 1 1 A 15 15 GLU N N 15 120.367 118.132 2.235 1
1 109 . 17 1 1 A 16 16 CYS H H 16 8.075 8.052 0.023 1
1 110 . 17 1 1 A 16 16 CYS HA H 16 5.189 4.711 0.478 1
1 113 . 17 1 1 A 16 16 CYS C C 16 176.487 175.716 0.771 1
1 114 . 17 1 1 A 16 16 CYS CA C 16 58.273 59.346 -1.073 1
1 115 . 17 1 1 A 16 16 CYS CB C 16 32.589 30.297 2.292 1
1 116 . 17 1 1 A 16 16 CYS N N 16 115.028 115.077 -0.049 1
1 117 . 17 1 1 A 17 17 GLY H H 17 8.119 8.247 -0.128 1
1 118 . 17 1 1 A 17 17 GLY HA2 H 17 3.740 4.067 -0.327 1
1 119 . 17 1 1 A 17 17 GLY HA3 H 17 4.184 4.083 0.101 1
1 120 . 17 1 1 A 17 17 GLY C C 17 173.579 174.536 -0.957 1
1 121 . 17 1 1 A 17 17 GLY CA C 17 46.154 45.132 1.022 1
1 122 . 17 1 1 A 17 17 GLY N N 17 113.446 110.314 3.132 1
1 123 . 17 1 1 A 18 18 LYS H H 18 7.999 7.637 0.362 1
1 124 . 17 1 1 A 18 18 LYS HA H 18 3.902 4.214 -0.312 1
1 133 . 17 1 1 A 18 18 LYS C C 18 173.431 176.160 -2.729 1
1 134 . 17 1 1 A 18 18 LYS CA C 18 58.308 55.563 2.745 1
1 135 . 17 1 1 A 18 18 LYS CB C 18 33.373 33.043 0.330 1
1 139 . 17 1 1 A 18 18 LYS N N 18 123.594 122.680 0.914 1
1 140 . 17 1 1 A 19 19 ALA H H 19 7.690 8.452 -0.762 1
1 141 . 17 1 1 A 19 19 ALA HA H 19 5.156 5.501 -0.345 1
1 145 . 17 1 1 A 19 19 ALA C C 19 176.397 176.224 0.173 1
1 146 . 17 1 1 A 19 19 ALA CA C 19 50.116 50.859 -0.743 1
1 147 . 17 1 1 A 19 19 ALA CB C 19 22.761 21.115 1.646 1
1 148 . 17 1 1 A 19 19 ALA N N 19 124.433 128.653 -4.220 1
1 149 . 17 1 1 A 20 20 PHE H H 20 8.988 9.196 -0.208 1
1 150 . 17 1 1 A 20 20 PHE HA H 20 4.671 4.954 -0.283 1
1 158 . 17 1 1 A 20 20 PHE C C 20 175.608 176.762 -1.154 1
1 159 . 17 1 1 A 20 20 PHE CA C 20 57.288 56.079 1.209 1
1 160 . 17 1 1 A 20 20 PHE CB C 20 43.643 40.624 3.019 1
1 166 . 17 1 1 A 20 20 PHE N N 20 117.426 117.636 -0.210 1
1 167 . 17 1 1 A 21 21 GLY H H 21 9.144 8.785 0.359 1
1 168 . 17 1 1 A 21 21 GLY HA2 H 21 4.066 3.953 0.113 1
1 169 . 17 1 1 A 21 21 GLY HA3 H 21 4.380 4.026 0.354 1
1 170 . 17 1 1 A 21 21 GLY C C 21 173.415 174.418 -1.003 1
1 171 . 17 1 1 A 21 21 GLY CA C 21 46.269 47.547 -1.278 1
1 172 . 17 1 1 A 21 21 GLY N N 21 108.353 110.862 -2.509 1
1 173 . 17 1 1 A 22 22 LEU H H 22 7.492 7.871 -0.379 1
1 174 . 17 1 1 A 22 22 LEU HA H 22 4.888 4.680 0.208 1
1 184 . 17 1 1 A 22 22 LEU C C 22 176.995 176.740 0.255 1
1 185 . 17 1 1 A 22 22 LEU CA C 22 53.043 53.313 -0.270 1
1 186 . 17 1 1 A 22 22 LEU CB C 22 45.693 44.253 1.440 1
1 190 . 17 1 1 A 22 22 LEU N N 22 117.179 120.868 -3.689 1
1 191 . 17 1 1 A 23 23 LYS H H 23 8.346 8.391 -0.045 1
1 192 . 17 1 1 A 23 23 LYS HA H 23 3.000 2.899 0.101 1
1 201 . 17 1 1 A 23 23 LYS C C 23 178.113 178.026 0.087 1
1 202 . 17 1 1 A 23 23 LYS CA C 23 59.056 58.839 0.217 1
1 203 . 17 1 1 A 23 23 LYS CB C 23 31.452 32.444 -0.992 1
1 207 . 17 1 1 A 23 23 LYS N N 23 127.252 123.299 3.953 1
1 208 . 17 1 1 A 24 24 SER H H 24 8.360 8.394 -0.034 1
1 209 . 17 1 1 A 24 24 SER HA H 24 3.865 4.162 -0.297 1
1 212 . 17 1 1 A 24 24 SER C C 24 176.854 176.940 -0.086 1
1 213 . 17 1 1 A 24 24 SER CA C 24 60.651 61.416 -0.765 1
1 214 . 17 1 1 A 24 24 SER CB C 24 61.315 62.761 -1.446 1
1 215 . 17 1 1 A 24 24 SER N N 24 111.653 113.496 -1.843 1
1 216 . 17 1 1 A 25 25 GLN H H 25 6.647 8.037 -1.390 1
1 217 . 17 1 1 A 25 25 GLN HA H 25 3.895 3.913 -0.018 1
1 224 . 17 1 1 A 25 25 GLN C C 25 178.428 178.050 0.378 1
1 225 . 17 1 1 A 25 25 GLN CA C 25 57.613 58.981 -1.368 1
1 226 . 17 1 1 A 25 25 GLN CB C 25 28.573 28.130 0.443 1
1 228 . 17 1 1 A 25 25 GLN N N 25 119.141 121.829 -2.688 1
1 230 . 17 1 1 A 26 26 LEU H H 26 6.992 7.812 -0.820 1
1 231 . 17 1 1 A 26 26 LEU HA H 26 3.324 2.716 0.608 1
1 241 . 17 1 1 A 26 26 LEU C C 26 177.103 178.205 -1.102 1
1 242 . 17 1 1 A 26 26 LEU CA C 26 57.854 57.111 0.743 1
1 243 . 17 1 1 A 26 26 LEU CB C 26 40.350 41.487 -1.137 1
1 247 . 17 1 1 A 26 26 LEU N N 26 122.365 120.107 2.258 1
1 248 . 17 1 1 A 27 27 ILE H H 27 7.971 7.784 0.187 1
1 249 . 17 1 1 A 27 27 ILE HA H 27 3.725 3.651 0.074 1
1 259 . 17 1 1 A 27 27 ILE C C 27 178.803 178.220 0.583 1
1 260 . 17 1 1 A 27 27 ILE CA C 27 64.616 65.335 -0.719 1
1 261 . 17 1 1 A 27 27 ILE CB C 27 37.833 37.900 -0.067 1
1 265 . 17 1 1 A 27 27 ILE N N 27 118.447 119.699 -1.252 1
1 266 . 17 1 1 A 28 28 ILE H H 28 7.047 8.068 -1.021 1
1 267 . 17 1 1 A 28 28 ILE HA H 28 3.572 3.650 -0.078 1
1 277 . 17 1 1 A 28 28 ILE C C 28 178.591 178.453 0.138 1
1 278 . 17 1 1 A 28 28 ILE CA C 28 64.607 64.510 0.097 1
1 279 . 17 1 1 A 28 28 ILE CB C 28 38.385 36.976 1.409 1
1 283 . 17 1 1 A 28 28 ILE N N 28 118.309 120.797 -2.488 1
1 284 . 17 1 1 A 29 29 HIS H H 29 7.575 7.568 0.007 1
1 285 . 17 1 1 A 29 29 HIS HA H 29 4.116 4.143 -0.027 1
1 290 . 17 1 1 A 29 29 HIS C C 29 176.399 177.047 -0.648 1
1 291 . 17 1 1 A 29 29 HIS CA C 29 59.638 59.574 0.064 1
1 292 . 17 1 1 A 29 29 HIS CB C 29 28.686 29.591 -0.905 1
1 295 . 17 1 1 A 29 29 HIS N N 29 120.367 120.433 -0.066 1
1 296 . 17 1 1 A 30 30 GLU H H 30 8.691 8.740 -0.049 1
1 297 . 17 1 1 A 30 30 GLU HA H 30 3.695 3.957 -0.262 1
1 302 . 17 1 1 A 30 30 GLU C C 30 178.190 179.338 -1.148 1
1 303 . 17 1 1 A 30 30 GLU CA C 30 60.106 60.037 0.069 1
1 304 . 17 1 1 A 30 30 GLU CB C 30 29.866 29.323 0.543 1
1 306 . 17 1 1 A 30 30 GLU N N 30 116.137 117.387 -1.250 1
1 307 . 17 1 1 A 31 31 ARG H H 31 7.138 7.994 -0.856 1
1 308 . 17 1 1 A 31 31 ARG HA H 31 4.178 4.225 -0.047 1
1 315 . 17 1 1 A 31 31 ARG C C 31 178.912 178.944 -0.032 1
1 316 . 17 1 1 A 31 31 ARG CA C 31 58.400 58.906 -0.506 1
1 317 . 17 1 1 A 31 31 ARG CB C 31 30.069 29.882 0.187 1
1 320 . 17 1 1 A 31 31 ARG N N 31 116.943 119.766 -2.823 1
1 321 . 17 1 1 A 32 32 ILE H H 32 7.978 7.802 0.176 1
1 322 . 17 1 1 A 32 32 ILE HA H 32 3.935 3.687 0.248 1
1 332 . 17 1 1 A 32 32 ILE C C 32 177.623 177.514 0.109 1
1 333 . 17 1 1 A 32 32 ILE CA C 32 63.351 64.143 -0.792 1
1 334 . 17 1 1 A 32 32 ILE CB C 32 37.667 37.232 0.435 1
1 338 . 17 1 1 A 32 32 ILE N N 32 117.036 117.741 -0.705 1
1 339 . 17 1 1 A 33 33 HIS H H 33 7.209 7.309 -0.100 1
1 340 . 17 1 1 A 33 33 HIS HA H 33 4.820 4.444 0.376 1
1 345 . 17 1 1 A 33 33 HIS C C 33 175.937 178.120 -2.183 1
1 346 . 17 1 1 A 33 33 HIS CA C 33 55.352 59.043 -3.691 1
1 347 . 17 1 1 A 33 33 HIS CB C 33 28.527 30.703 -2.176 1
1 350 . 17 1 1 A 33 33 HIS N N 33 117.235 120.833 -3.598 1
1 351 . 17 1 1 A 34 34 THR H H 34 7.749 8.389 -0.640 1
1 352 . 17 1 1 A 34 34 THR HA H 34 4.369 4.173 0.196 1
1 357 . 17 1 1 A 34 34 THR C C 34 175.653 175.912 -0.259 1
1 358 . 17 1 1 A 34 34 THR CA C 34 62.438 64.934 -2.496 1
1 359 . 17 1 1 A 34 34 THR CB C 34 69.975 68.570 1.405 1
1 361 . 17 1 1 A 34 34 THR N N 34 110.763 113.208 -2.445 1
1 362 . 17 1 1 A 35 35 GLY H H 35 8.174 7.919 0.255 1
1 363 . 17 1 1 A 35 35 GLY HA2 H 35 4.059 3.940 0.119 1
1 364 . 17 1 1 A 35 35 GLY HA3 H 35 3.950 3.951 -0.001 1
1 365 . 17 1 1 A 35 35 GLY C C 35 174.334 174.049 0.285 1
1 366 . 17 1 1 A 35 35 GLY CA C 35 45.450 46.313 -0.863 1
1 367 . 17 1 1 A 35 35 GLY N N 35 110.516 110.051 0.465 1
1 368 . 17 1 1 A 36 36 GLU H H 36 8.130 7.639 0.491 1
1 369 . 17 1 1 A 36 36 GLU HA H 36 4.311 4.471 -0.160 1
1 374 . 17 1 1 A 36 36 GLU C C 36 176.510 176.545 -0.035 1
1 375 . 17 1 1 A 36 36 GLU CA C 36 56.629 56.737 -0.108 1
1 376 . 17 1 1 A 36 36 GLU CB C 36 30.535 32.209 -1.674 1
1 378 . 17 1 1 A 36 36 GLU N N 36 120.680 118.590 2.090 1
1 379 . 17 1 1 A 37 37 SER H H 37 8.391 8.110 0.281 1
1 380 . 17 1 1 A 37 37 SER HA H 37 4.481 4.095 0.386 1
1 383 . 17 1 1 A 37 37 SER C C 37 174.576 173.610 0.966 1
1 384 . 17 1 1 A 37 37 SER CA C 37 58.300 59.063 -0.763 1
1 385 . 17 1 1 A 37 37 SER CB C 37 63.990 61.472 2.518 1
1 386 . 17 1 1 A 37 37 SER N N 37 116.733 115.069 1.664 1
1 387 . 17 1 1 A 38 38 GLY H H 38 8.240 8.160 0.080 1
1 388 . 17 1 1 A 38 38 GLY HA2 H 38 4.158 4.040 0.118 1
1 389 . 17 1 1 A 38 38 GLY HA3 H 38 4.064 4.042 0.022 1
1 390 . 17 1 1 A 38 38 GLY C C 38 171.698 173.259 -1.561 1
1 391 . 17 1 1 A 38 38 GLY CA C 38 44.560 44.089 0.471 1
1 392 . 17 1 1 A 38 38 GLY N N 38 110.538 108.743 1.795 1
1 393 . 17 1 1 A 39 39 PRO HA H 39 4.474 4.745 -0.271 1
1 400 . 17 1 1 A 39 39 PRO C C 39 177.358 175.906 1.452 1
1 401 . 17 1 1 A 39 39 PRO CA C 39 63.172 62.295 0.877 1
1 402 . 17 1 1 A 39 39 PRO CB C 39 32.197 29.598 2.599 1
1 405 . 17 1 1 A 40 40 SER H H 40 8.542 8.457 0.085 1
1 406 . 17 1 1 A 40 40 SER C C 40 174.651 174.680 -0.029 1
1 407 . 17 1 1 A 40 40 SER CA C 40 58.452 56.883 1.569 1
1 408 . 17 1 1 A 40 40 SER CB C 40 63.972 65.294 -1.322 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.956 4.012 -0.056 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.956 4.012 -0.056 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.066 173.843 0.223 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.322 45.633 -0.311 1
1 5 . 18 1 1 A 8 8 GLN H H 8 8.173 8.411 -0.238 1
1 6 . 18 1 1 A 8 8 GLN HA H 8 4.244 4.230 0.014 1
1 13 . 18 1 1 A 8 8 GLN C C 8 176.010 175.903 0.107 1
1 14 . 18 1 1 A 8 8 GLN CA C 8 56.057 56.065 -0.008 1
1 15 . 18 1 1 A 8 8 GLN CB C 8 29.452 28.932 0.520 1
1 17 . 18 1 1 A 8 8 GLN N N 8 119.348 120.493 -1.145 1
1 19 . 18 1 1 A 9 9 LYS H H 9 8.307 8.259 0.048 1
1 20 . 18 1 1 A 9 9 LYS HA H 9 4.522 5.023 -0.501 1
1 29 . 18 1 1 A 9 9 LYS C C 9 173.766 175.306 -1.540 1
1 30 . 18 1 1 A 9 9 LYS CA C 9 53.843 53.386 0.457 1
1 31 . 18 1 1 A 9 9 LYS CB C 9 33.164 33.344 -0.180 1
1 35 . 18 1 1 A 9 9 LYS N N 9 122.358 124.967 -2.609 1
1 36 . 18 1 1 A 10 10 PRO HA H 10 4.279 4.365 -0.086 1
1 43 . 18 1 1 A 10 10 PRO C C 10 176.401 175.993 0.408 1
1 44 . 18 1 1 A 10 10 PRO CA C 10 63.416 64.954 -1.538 1
1 45 . 18 1 1 A 10 10 PRO CB C 10 32.288 31.779 0.509 1
1 48 . 18 1 1 A 11 11 TYR H H 11 7.923 7.829 0.094 1
1 49 . 18 1 1 A 11 11 TYR HA H 11 4.623 4.666 -0.043 1
1 56 . 18 1 1 A 11 11 TYR C C 11 174.286 175.979 -1.693 1
1 57 . 18 1 1 A 11 11 TYR CA C 11 57.971 57.847 0.124 1
1 58 . 18 1 1 A 11 11 TYR CB C 11 38.024 38.021 0.003 1
1 63 . 18 1 1 A 11 11 TYR N N 11 119.366 118.066 1.300 1
1 64 . 18 1 1 A 12 12 VAL H H 12 8.401 8.973 -0.572 1
1 65 . 18 1 1 A 12 12 VAL HA H 12 4.579 4.908 -0.329 1
1 73 . 18 1 1 A 12 12 VAL C C 12 175.233 175.404 -0.171 1
1 74 . 18 1 1 A 12 12 VAL CA C 12 61.292 60.652 0.640 1
1 75 . 18 1 1 A 12 12 VAL CB C 12 34.524 34.684 -0.160 1
1 78 . 18 1 1 A 12 12 VAL N N 12 125.266 124.037 1.229 1
1 79 . 18 1 1 A 13 13 CYS H H 13 9.209 9.468 -0.259 1
1 80 . 18 1 1 A 13 13 CYS HA H 13 4.594 4.615 -0.021 1
1 83 . 18 1 1 A 13 13 CYS C C 13 177.334 175.553 1.781 1
1 84 . 18 1 1 A 13 13 CYS CA C 13 59.708 59.862 -0.154 1
1 85 . 18 1 1 A 13 13 CYS CB C 13 29.650 28.565 1.085 1
1 86 . 18 1 1 A 13 13 CYS N N 13 129.222 127.758 1.464 1
1 87 . 18 1 1 A 14 14 ASN H H 14 9.507 9.173 0.334 1
1 88 . 18 1 1 A 14 14 ASN HA H 14 4.511 4.835 -0.324 1
1 93 . 18 1 1 A 14 14 ASN C C 14 175.327 175.853 -0.526 1
1 94 . 18 1 1 A 14 14 ASN CA C 14 55.760 54.040 1.720 1
1 95 . 18 1 1 A 14 14 ASN CB C 14 38.946 38.846 0.100 1
1 96 . 18 1 1 A 14 14 ASN N N 14 130.952 126.158 4.794 1
1 98 . 18 1 1 A 15 15 GLU H H 15 8.759 7.972 0.787 1
1 99 . 18 1 1 A 15 15 GLU HA H 15 4.236 4.145 0.091 1
1 104 . 18 1 1 A 15 15 GLU C C 15 177.222 177.982 -0.760 1
1 105 . 18 1 1 A 15 15 GLU CA C 15 58.127 58.110 0.017 1
1 106 . 18 1 1 A 15 15 GLU CB C 15 29.464 30.027 -0.563 1
1 108 . 18 1 1 A 15 15 GLU N N 15 120.367 117.781 2.586 1
1 109 . 18 1 1 A 16 16 CYS H H 16 8.075 8.115 -0.040 1
1 110 . 18 1 1 A 16 16 CYS HA H 16 5.189 4.698 0.491 1
1 113 . 18 1 1 A 16 16 CYS C C 16 176.487 175.620 0.867 1
1 114 . 18 1 1 A 16 16 CYS CA C 16 58.273 59.355 -1.082 1
1 115 . 18 1 1 A 16 16 CYS CB C 16 32.589 30.257 2.332 1
1 116 . 18 1 1 A 16 16 CYS N N 16 115.028 115.221 -0.193 1
1 117 . 18 1 1 A 17 17 GLY H H 17 8.119 8.329 -0.210 1
1 118 . 18 1 1 A 17 17 GLY HA2 H 17 3.740 4.049 -0.309 1
1 119 . 18 1 1 A 17 17 GLY HA3 H 17 4.184 4.066 0.118 1
1 120 . 18 1 1 A 17 17 GLY C C 17 173.579 174.472 -0.893 1
1 121 . 18 1 1 A 17 17 GLY CA C 17 46.154 45.291 0.863 1
1 122 . 18 1 1 A 17 17 GLY N N 17 113.446 110.307 3.139 1
1 123 . 18 1 1 A 18 18 LYS H H 18 7.999 7.638 0.361 1
1 124 . 18 1 1 A 18 18 LYS HA H 18 3.902 4.267 -0.365 1
1 133 . 18 1 1 A 18 18 LYS C C 18 173.431 176.241 -2.810 1
1 134 . 18 1 1 A 18 18 LYS CA C 18 58.308 55.526 2.782 1
1 135 . 18 1 1 A 18 18 LYS CB C 18 33.373 33.234 0.139 1
1 139 . 18 1 1 A 18 18 LYS N N 18 123.594 122.318 1.276 1
1 140 . 18 1 1 A 19 19 ALA H H 19 7.690 8.520 -0.830 1
1 141 . 18 1 1 A 19 19 ALA HA H 19 5.156 5.614 -0.458 1
1 145 . 18 1 1 A 19 19 ALA C C 19 176.397 176.148 0.249 1
1 146 . 18 1 1 A 19 19 ALA CA C 19 50.116 50.799 -0.683 1
1 147 . 18 1 1 A 19 19 ALA CB C 19 22.761 21.348 1.413 1
1 148 . 18 1 1 A 19 19 ALA N N 19 124.433 128.496 -4.063 1
1 149 . 18 1 1 A 20 20 PHE H H 20 8.988 9.267 -0.279 1
1 150 . 18 1 1 A 20 20 PHE HA H 20 4.671 4.913 -0.242 1
1 158 . 18 1 1 A 20 20 PHE C C 20 175.608 176.448 -0.840 1
1 159 . 18 1 1 A 20 20 PHE CA C 20 57.288 56.391 0.897 1
1 160 . 18 1 1 A 20 20 PHE CB C 20 43.643 41.301 2.342 1
1 166 . 18 1 1 A 20 20 PHE N N 20 117.426 117.664 -0.238 1
1 167 . 18 1 1 A 21 21 GLY H H 21 9.144 8.804 0.340 1
1 168 . 18 1 1 A 21 21 GLY HA2 H 21 4.066 3.931 0.135 1
1 169 . 18 1 1 A 21 21 GLY HA3 H 21 4.380 3.990 0.390 1
1 170 . 18 1 1 A 21 21 GLY C C 21 173.415 174.323 -0.908 1
1 171 . 18 1 1 A 21 21 GLY CA C 21 46.269 47.248 -0.979 1
1 172 . 18 1 1 A 21 21 GLY N N 21 108.353 110.949 -2.596 1
1 173 . 18 1 1 A 22 22 LEU H H 22 7.492 7.838 -0.346 1
1 174 . 18 1 1 A 22 22 LEU HA H 22 4.888 4.802 0.086 1
1 184 . 18 1 1 A 22 22 LEU C C 22 176.995 176.556 0.439 1
1 185 . 18 1 1 A 22 22 LEU CA C 22 53.043 53.178 -0.135 1
1 186 . 18 1 1 A 22 22 LEU CB C 22 45.693 44.506 1.187 1
1 190 . 18 1 1 A 22 22 LEU N N 22 117.179 120.862 -3.683 1
1 191 . 18 1 1 A 23 23 LYS H H 23 8.346 8.408 -0.062 1
1 192 . 18 1 1 A 23 23 LYS HA H 23 3.000 2.624 0.376 1
1 201 . 18 1 1 A 23 23 LYS C C 23 178.113 178.197 -0.084 1
1 202 . 18 1 1 A 23 23 LYS CA C 23 59.056 58.692 0.364 1
1 203 . 18 1 1 A 23 23 LYS CB C 23 31.452 32.231 -0.779 1
1 207 . 18 1 1 A 23 23 LYS N N 23 127.252 123.304 3.948 1
1 208 . 18 1 1 A 24 24 SER H H 24 8.360 8.212 0.148 1
1 209 . 18 1 1 A 24 24 SER HA H 24 3.865 4.016 -0.151 1
1 212 . 18 1 1 A 24 24 SER C C 24 176.854 176.398 0.456 1
1 213 . 18 1 1 A 24 24 SER CA C 24 60.651 61.980 -1.329 1
1 214 . 18 1 1 A 24 24 SER CB C 24 61.315 63.026 -1.711 1
1 215 . 18 1 1 A 24 24 SER N N 24 111.653 115.364 -3.711 1
1 216 . 18 1 1 A 25 25 GLN H H 25 6.647 7.986 -1.339 1
1 217 . 18 1 1 A 25 25 GLN HA H 25 3.895 3.907 -0.012 1
1 224 . 18 1 1 A 25 25 GLN C C 25 178.428 178.166 0.262 1
1 225 . 18 1 1 A 25 25 GLN CA C 25 57.613 58.904 -1.291 1
1 226 . 18 1 1 A 25 25 GLN CB C 25 28.573 28.091 0.482 1
1 228 . 18 1 1 A 25 25 GLN N N 25 119.141 121.179 -2.038 1
1 230 . 18 1 1 A 26 26 LEU H H 26 6.992 7.711 -0.719 1
1 231 . 18 1 1 A 26 26 LEU HA H 26 3.324 2.713 0.611 1
1 241 . 18 1 1 A 26 26 LEU C C 26 177.103 178.211 -1.108 1
1 242 . 18 1 1 A 26 26 LEU CA C 26 57.854 57.274 0.580 1
1 243 . 18 1 1 A 26 26 LEU CB C 26 40.350 41.313 -0.963 1
1 247 . 18 1 1 A 26 26 LEU N N 26 122.365 120.268 2.097 1
1 248 . 18 1 1 A 27 27 ILE H H 27 7.971 7.902 0.069 1
1 249 . 18 1 1 A 27 27 ILE HA H 27 3.725 3.604 0.121 1
1 259 . 18 1 1 A 27 27 ILE C C 27 178.803 177.981 0.822 1
1 260 . 18 1 1 A 27 27 ILE CA C 27 64.616 65.343 -0.727 1
1 261 . 18 1 1 A 27 27 ILE CB C 27 37.833 37.869 -0.036 1
1 265 . 18 1 1 A 27 27 ILE N N 27 118.447 119.711 -1.264 1
1 266 . 18 1 1 A 28 28 ILE H H 28 7.047 8.019 -0.972 1
1 267 . 18 1 1 A 28 28 ILE HA H 28 3.572 3.663 -0.091 1
1 277 . 18 1 1 A 28 28 ILE C C 28 178.591 178.316 0.275 1
1 278 . 18 1 1 A 28 28 ILE CA C 28 64.607 64.402 0.205 1
1 279 . 18 1 1 A 28 28 ILE CB C 28 38.385 36.876 1.509 1
1 283 . 18 1 1 A 28 28 ILE N N 28 118.309 120.614 -2.305 1
1 284 . 18 1 1 A 29 29 HIS H H 29 7.575 7.761 -0.186 1
1 285 . 18 1 1 A 29 29 HIS HA H 29 4.116 4.215 -0.099 1
1 290 . 18 1 1 A 29 29 HIS C C 29 176.399 177.380 -0.981 1
1 291 . 18 1 1 A 29 29 HIS CA C 29 59.638 59.706 -0.068 1
1 292 . 18 1 1 A 29 29 HIS CB C 29 28.686 29.701 -1.015 1
1 295 . 18 1 1 A 29 29 HIS N N 29 120.367 120.406 -0.039 1
1 296 . 18 1 1 A 30 30 GLU H H 30 8.691 8.840 -0.149 1
1 297 . 18 1 1 A 30 30 GLU HA H 30 3.695 3.945 -0.250 1
1 302 . 18 1 1 A 30 30 GLU C C 30 178.190 178.987 -0.797 1
1 303 . 18 1 1 A 30 30 GLU CA C 30 60.106 59.853 0.253 1
1 304 . 18 1 1 A 30 30 GLU CB C 30 29.866 29.203 0.663 1
1 306 . 18 1 1 A 30 30 GLU N N 30 116.137 117.734 -1.597 1
1 307 . 18 1 1 A 31 31 ARG H H 31 7.138 7.964 -0.826 1
1 308 . 18 1 1 A 31 31 ARG HA H 31 4.178 4.015 0.163 1
1 315 . 18 1 1 A 31 31 ARG C C 31 178.912 178.974 -0.062 1
1 316 . 18 1 1 A 31 31 ARG CA C 31 58.400 58.573 -0.173 1
1 317 . 18 1 1 A 31 31 ARG CB C 31 30.069 30.153 -0.084 1
1 320 . 18 1 1 A 31 31 ARG N N 31 116.943 119.590 -2.647 1
1 321 . 18 1 1 A 32 32 ILE H H 32 7.978 7.621 0.357 1
1 322 . 18 1 1 A 32 32 ILE HA H 32 3.935 3.730 0.205 1
1 332 . 18 1 1 A 32 32 ILE C C 32 177.623 177.094 0.529 1
1 333 . 18 1 1 A 32 32 ILE CA C 32 63.351 63.530 -0.179 1
1 334 . 18 1 1 A 32 32 ILE CB C 32 37.667 36.940 0.727 1
1 338 . 18 1 1 A 32 32 ILE N N 32 117.036 115.994 1.042 1
1 339 . 18 1 1 A 33 33 HIS H H 33 7.209 7.236 -0.027 1
1 340 . 18 1 1 A 33 33 HIS HA H 33 4.820 4.517 0.303 1
1 345 . 18 1 1 A 33 33 HIS C C 33 175.937 177.498 -1.561 1
1 346 . 18 1 1 A 33 33 HIS CA C 33 55.352 58.264 -2.912 1
1 347 . 18 1 1 A 33 33 HIS CB C 33 28.527 30.957 -2.430 1
1 350 . 18 1 1 A 33 33 HIS N N 33 117.235 120.135 -2.900 1
1 351 . 18 1 1 A 34 34 THR H H 34 7.749 8.292 -0.543 1
1 352 . 18 1 1 A 34 34 THR HA H 34 4.369 4.118 0.251 1
1 357 . 18 1 1 A 34 34 THR C C 34 175.653 176.935 -1.282 1
1 358 . 18 1 1 A 34 34 THR CA C 34 62.438 65.348 -2.910 1
1 359 . 18 1 1 A 34 34 THR CB C 34 69.975 68.481 1.494 1
1 361 . 18 1 1 A 34 34 THR N N 34 110.763 113.348 -2.585 1
1 362 . 18 1 1 A 35 35 GLY H H 35 8.174 7.946 0.228 1
1 363 . 18 1 1 A 35 35 GLY HA2 H 35 4.059 3.754 0.305 1
1 364 . 18 1 1 A 35 35 GLY HA3 H 35 3.950 3.760 0.190 1
1 365 . 18 1 1 A 35 35 GLY C C 35 174.334 174.507 -0.173 1
1 366 . 18 1 1 A 35 35 GLY CA C 35 45.450 47.225 -1.775 1
1 367 . 18 1 1 A 35 35 GLY N N 35 110.516 110.677 -0.161 1
1 368 . 18 1 1 A 36 36 GLU H H 36 8.130 8.071 0.059 1
1 369 . 18 1 1 A 36 36 GLU HA H 36 4.311 4.395 -0.084 1
1 374 . 18 1 1 A 36 36 GLU C C 36 176.510 176.531 -0.021 1
1 375 . 18 1 1 A 36 36 GLU CA C 36 56.629 55.968 0.661 1
1 376 . 18 1 1 A 36 36 GLU CB C 36 30.535 30.816 -0.281 1
1 378 . 18 1 1 A 36 36 GLU N N 36 120.680 120.529 0.151 1
1 379 . 18 1 1 A 37 37 SER H H 37 8.391 8.813 -0.422 1
1 380 . 18 1 1 A 37 37 SER HA H 37 4.481 4.684 -0.203 1
1 383 . 18 1 1 A 37 37 SER C C 37 174.576 174.431 0.145 1
1 384 . 18 1 1 A 37 37 SER CA C 37 58.300 58.391 -0.091 1
1 385 . 18 1 1 A 37 37 SER CB C 37 63.990 64.115 -0.125 1
1 386 . 18 1 1 A 37 37 SER N N 37 116.733 120.639 -3.906 1
1 387 . 18 1 1 A 38 38 GLY H H 38 8.240 8.450 -0.210 1
1 388 . 18 1 1 A 38 38 GLY HA2 H 38 4.158 4.068 0.090 1
1 389 . 18 1 1 A 38 38 GLY HA3 H 38 4.064 4.079 -0.015 1
1 390 . 18 1 1 A 38 38 GLY C C 38 171.698 173.782 -2.084 1
1 391 . 18 1 1 A 38 38 GLY CA C 38 44.560 44.963 -0.403 1
1 392 . 18 1 1 A 38 38 GLY N N 38 110.538 112.616 -2.078 1
1 393 . 18 1 1 A 39 39 PRO HA H 39 4.474 4.463 0.011 1
1 400 . 18 1 1 A 39 39 PRO C C 39 177.358 175.984 1.374 1
1 401 . 18 1 1 A 39 39 PRO CA C 39 63.172 62.428 0.744 1
1 402 . 18 1 1 A 39 39 PRO CB C 39 32.197 33.324 -1.127 1
1 405 . 18 1 1 A 40 40 SER H H 40 8.542 8.607 -0.065 1
1 406 . 18 1 1 A 40 40 SER C C 40 174.651 174.997 -0.346 1
1 407 . 18 1 1 A 40 40 SER CA C 40 58.452 57.175 1.277 1
1 408 . 18 1 1 A 40 40 SER CB C 40 63.972 61.444 2.528 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.956 4.048 -0.092 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.956 4.051 -0.095 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.066 173.519 0.547 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.322 45.012 0.310 1
1 5 . 19 1 1 A 8 8 GLN H H 8 8.173 8.220 -0.047 1
1 6 . 19 1 1 A 8 8 GLN HA H 8 4.244 4.349 -0.105 1
1 13 . 19 1 1 A 8 8 GLN C C 8 176.010 175.903 0.107 1
1 14 . 19 1 1 A 8 8 GLN CA C 8 56.057 56.044 0.013 1
1 15 . 19 1 1 A 8 8 GLN CB C 8 29.452 29.098 0.354 1
1 17 . 19 1 1 A 8 8 GLN N N 8 119.348 119.479 -0.131 1
1 19 . 19 1 1 A 9 9 LYS H H 9 8.307 8.204 0.103 1
1 20 . 19 1 1 A 9 9 LYS HA H 9 4.522 5.021 -0.499 1
1 29 . 19 1 1 A 9 9 LYS C C 9 173.766 175.308 -1.542 1
1 30 . 19 1 1 A 9 9 LYS CA C 9 53.843 53.350 0.493 1
1 31 . 19 1 1 A 9 9 LYS CB C 9 33.164 33.383 -0.219 1
1 35 . 19 1 1 A 9 9 LYS N N 9 122.358 123.351 -0.993 1
1 36 . 19 1 1 A 10 10 PRO HA H 10 4.279 4.370 -0.091 1
1 43 . 19 1 1 A 10 10 PRO C C 10 176.401 175.945 0.456 1
1 44 . 19 1 1 A 10 10 PRO CA C 10 63.416 64.928 -1.512 1
1 45 . 19 1 1 A 10 10 PRO CB C 10 32.288 31.753 0.535 1
1 48 . 19 1 1 A 11 11 TYR H H 11 7.923 7.819 0.104 1
1 49 . 19 1 1 A 11 11 TYR HA H 11 4.623 4.700 -0.077 1
1 56 . 19 1 1 A 11 11 TYR C C 11 174.286 175.930 -1.644 1
1 57 . 19 1 1 A 11 11 TYR CA C 11 57.971 57.703 0.268 1
1 58 . 19 1 1 A 11 11 TYR CB C 11 38.024 37.902 0.122 1
1 63 . 19 1 1 A 11 11 TYR N N 11 119.366 117.913 1.453 1
1 64 . 19 1 1 A 12 12 VAL H H 12 8.401 8.959 -0.558 1
1 65 . 19 1 1 A 12 12 VAL HA H 12 4.579 4.822 -0.243 1
1 73 . 19 1 1 A 12 12 VAL C C 12 175.233 175.471 -0.238 1
1 74 . 19 1 1 A 12 12 VAL CA C 12 61.292 60.681 0.611 1
1 75 . 19 1 1 A 12 12 VAL CB C 12 34.524 34.576 -0.052 1
1 78 . 19 1 1 A 12 12 VAL N N 12 125.266 123.964 1.302 1
1 79 . 19 1 1 A 13 13 CYS H H 13 9.209 9.441 -0.232 1
1 80 . 19 1 1 A 13 13 CYS HA H 13 4.594 4.539 0.055 1
1 83 . 19 1 1 A 13 13 CYS C C 13 177.334 175.641 1.693 1
1 84 . 19 1 1 A 13 13 CYS CA C 13 59.708 59.966 -0.258 1
1 85 . 19 1 1 A 13 13 CYS CB C 13 29.650 28.476 1.174 1
1 86 . 19 1 1 A 13 13 CYS N N 13 129.222 128.024 1.198 1
1 87 . 19 1 1 A 14 14 ASN H H 14 9.507 9.070 0.437 1
1 88 . 19 1 1 A 14 14 ASN HA H 14 4.511 4.731 -0.220 1
1 93 . 19 1 1 A 14 14 ASN C C 14 175.327 176.151 -0.824 1
1 94 . 19 1 1 A 14 14 ASN CA C 14 55.760 54.153 1.607 1
1 95 . 19 1 1 A 14 14 ASN CB C 14 38.946 38.624 0.322 1
1 96 . 19 1 1 A 14 14 ASN N N 14 130.952 126.179 4.773 1
1 98 . 19 1 1 A 15 15 GLU H H 15 8.759 7.968 0.791 1
1 99 . 19 1 1 A 15 15 GLU HA H 15 4.236 4.109 0.127 1
1 104 . 19 1 1 A 15 15 GLU C C 15 177.222 177.948 -0.726 1
1 105 . 19 1 1 A 15 15 GLU CA C 15 58.127 58.322 -0.195 1
1 106 . 19 1 1 A 15 15 GLU CB C 15 29.464 29.886 -0.422 1
1 108 . 19 1 1 A 15 15 GLU N N 15 120.367 118.271 2.096 1
1 109 . 19 1 1 A 16 16 CYS H H 16 8.075 8.014 0.061 1
1 110 . 19 1 1 A 16 16 CYS HA H 16 5.189 4.714 0.475 1
1 113 . 19 1 1 A 16 16 CYS C C 16 176.487 175.646 0.841 1
1 114 . 19 1 1 A 16 16 CYS CA C 16 58.273 59.411 -1.138 1
1 115 . 19 1 1 A 16 16 CYS CB C 16 32.589 30.265 2.324 1
1 116 . 19 1 1 A 16 16 CYS N N 16 115.028 115.086 -0.058 1
1 117 . 19 1 1 A 17 17 GLY H H 17 8.119 8.226 -0.107 1
1 118 . 19 1 1 A 17 17 GLY HA2 H 17 3.740 4.072 -0.332 1
1 119 . 19 1 1 A 17 17 GLY HA3 H 17 4.184 4.087 0.097 1
1 120 . 19 1 1 A 17 17 GLY C C 17 173.579 174.465 -0.886 1
1 121 . 19 1 1 A 17 17 GLY CA C 17 46.154 45.124 1.030 1
1 122 . 19 1 1 A 17 17 GLY N N 17 113.446 110.272 3.174 1
1 123 . 19 1 1 A 18 18 LYS H H 18 7.999 7.617 0.382 1
1 124 . 19 1 1 A 18 18 LYS HA H 18 3.902 4.293 -0.391 1
1 133 . 19 1 1 A 18 18 LYS C C 18 173.431 175.966 -2.535 1
1 134 . 19 1 1 A 18 18 LYS CA C 18 58.308 55.719 2.589 1
1 135 . 19 1 1 A 18 18 LYS CB C 18 33.373 33.060 0.313 1
1 139 . 19 1 1 A 18 18 LYS N N 18 123.594 122.311 1.283 1
1 140 . 19 1 1 A 19 19 ALA H H 19 7.690 8.524 -0.834 1
1 141 . 19 1 1 A 19 19 ALA HA H 19 5.156 5.643 -0.487 1
1 145 . 19 1 1 A 19 19 ALA C C 19 176.397 176.179 0.218 1
1 146 . 19 1 1 A 19 19 ALA CA C 19 50.116 50.808 -0.692 1
1 147 . 19 1 1 A 19 19 ALA CB C 19 22.761 21.208 1.553 1
1 148 . 19 1 1 A 19 19 ALA N N 19 124.433 129.186 -4.753 1
1 149 . 19 1 1 A 20 20 PHE H H 20 8.988 9.200 -0.212 1
1 150 . 19 1 1 A 20 20 PHE HA H 20 4.671 4.955 -0.284 1
1 158 . 19 1 1 A 20 20 PHE C C 20 175.608 176.694 -1.086 1
1 159 . 19 1 1 A 20 20 PHE CA C 20 57.288 56.203 1.085 1
1 160 . 19 1 1 A 20 20 PHE CB C 20 43.643 40.737 2.906 1
1 166 . 19 1 1 A 20 20 PHE N N 20 117.426 117.640 -0.214 1
1 167 . 19 1 1 A 21 21 GLY H H 21 9.144 8.784 0.360 1
1 168 . 19 1 1 A 21 21 GLY HA2 H 21 4.066 3.950 0.116 1
1 169 . 19 1 1 A 21 21 GLY HA3 H 21 4.380 4.009 0.371 1
1 170 . 19 1 1 A 21 21 GLY C C 21 173.415 174.413 -0.998 1
1 171 . 19 1 1 A 21 21 GLY CA C 21 46.269 47.514 -1.245 1
1 172 . 19 1 1 A 21 21 GLY N N 21 108.353 110.839 -2.486 1
1 173 . 19 1 1 A 22 22 LEU H H 22 7.492 7.853 -0.361 1
1 174 . 19 1 1 A 22 22 LEU HA H 22 4.888 4.817 0.071 1
1 184 . 19 1 1 A 22 22 LEU C C 22 176.995 176.780 0.215 1
1 185 . 19 1 1 A 22 22 LEU CA C 22 53.043 53.248 -0.205 1
1 186 . 19 1 1 A 22 22 LEU CB C 22 45.693 44.170 1.523 1
1 190 . 19 1 1 A 22 22 LEU N N 22 117.179 120.749 -3.570 1
1 191 . 19 1 1 A 23 23 LYS H H 23 8.346 8.462 -0.116 1
1 192 . 19 1 1 A 23 23 LYS HA H 23 3.000 2.420 0.580 1
1 201 . 19 1 1 A 23 23 LYS C C 23 178.113 177.976 0.137 1
1 202 . 19 1 1 A 23 23 LYS CA C 23 59.056 58.669 0.387 1
1 203 . 19 1 1 A 23 23 LYS CB C 23 31.452 32.375 -0.923 1
1 207 . 19 1 1 A 23 23 LYS N N 23 127.252 123.277 3.975 1
1 208 . 19 1 1 A 24 24 SER H H 24 8.360 8.375 -0.015 1
1 209 . 19 1 1 A 24 24 SER HA H 24 3.865 4.134 -0.269 1
1 212 . 19 1 1 A 24 24 SER C C 24 176.854 177.122 -0.268 1
1 213 . 19 1 1 A 24 24 SER CA C 24 60.651 61.389 -0.738 1
1 214 . 19 1 1 A 24 24 SER CB C 24 61.315 62.711 -1.396 1
1 215 . 19 1 1 A 24 24 SER N N 24 111.653 113.496 -1.843 1
1 216 . 19 1 1 A 25 25 GLN H H 25 6.647 8.110 -1.463 1
1 217 . 19 1 1 A 25 25 GLN HA H 25 3.895 3.903 -0.008 1
1 224 . 19 1 1 A 25 25 GLN C C 25 178.428 177.902 0.526 1
1 225 . 19 1 1 A 25 25 GLN CA C 25 57.613 58.827 -1.214 1
1 226 . 19 1 1 A 25 25 GLN CB C 25 28.573 28.247 0.326 1
1 228 . 19 1 1 A 25 25 GLN N N 25 119.141 121.399 -2.258 1
1 230 . 19 1 1 A 26 26 LEU H H 26 6.992 7.745 -0.753 1
1 231 . 19 1 1 A 26 26 LEU HA H 26 3.324 2.716 0.608 1
1 241 . 19 1 1 A 26 26 LEU C C 26 177.103 178.209 -1.106 1
1 242 . 19 1 1 A 26 26 LEU CA C 26 57.854 57.082 0.772 1
1 243 . 19 1 1 A 26 26 LEU CB C 26 40.350 41.469 -1.119 1
1 247 . 19 1 1 A 26 26 LEU N N 26 122.365 120.039 2.326 1
1 248 . 19 1 1 A 27 27 ILE H H 27 7.971 7.724 0.247 1
1 249 . 19 1 1 A 27 27 ILE HA H 27 3.725 3.778 -0.053 1
1 259 . 19 1 1 A 27 27 ILE C C 27 178.803 178.081 0.722 1
1 260 . 19 1 1 A 27 27 ILE CA C 27 64.616 65.367 -0.751 1
1 261 . 19 1 1 A 27 27 ILE CB C 27 37.833 37.847 -0.014 1
1 265 . 19 1 1 A 27 27 ILE N N 27 118.447 119.715 -1.268 1
1 266 . 19 1 1 A 28 28 ILE H H 28 7.047 8.002 -0.955 1
1 267 . 19 1 1 A 28 28 ILE HA H 28 3.572 3.619 -0.047 1
1 277 . 19 1 1 A 28 28 ILE C C 28 178.591 178.412 0.179 1
1 278 . 19 1 1 A 28 28 ILE CA C 28 64.607 64.559 0.048 1
1 279 . 19 1 1 A 28 28 ILE CB C 28 38.385 36.809 1.576 1
1 283 . 19 1 1 A 28 28 ILE N N 28 118.309 120.568 -2.259 1
1 284 . 19 1 1 A 29 29 HIS H H 29 7.575 7.812 -0.237 1
1 285 . 19 1 1 A 29 29 HIS HA H 29 4.116 4.201 -0.085 1
1 290 . 19 1 1 A 29 29 HIS C C 29 176.399 177.378 -0.979 1
1 291 . 19 1 1 A 29 29 HIS CA C 29 59.638 59.685 -0.047 1
1 292 . 19 1 1 A 29 29 HIS CB C 29 28.686 29.849 -1.163 1
1 295 . 19 1 1 A 29 29 HIS N N 29 120.367 120.401 -0.034 1
1 296 . 19 1 1 A 30 30 GLU H H 30 8.691 8.792 -0.101 1
1 297 . 19 1 1 A 30 30 GLU HA H 30 3.695 3.960 -0.265 1
1 302 . 19 1 1 A 30 30 GLU C C 30 178.190 179.165 -0.975 1
1 303 . 19 1 1 A 30 30 GLU CA C 30 60.106 59.958 0.148 1
1 304 . 19 1 1 A 30 30 GLU CB C 30 29.866 29.165 0.701 1
1 306 . 19 1 1 A 30 30 GLU N N 30 116.137 117.612 -1.475 1
1 307 . 19 1 1 A 31 31 ARG H H 31 7.138 7.955 -0.817 1
1 308 . 19 1 1 A 31 31 ARG HA H 31 4.178 4.193 -0.015 1
1 315 . 19 1 1 A 31 31 ARG C C 31 178.912 178.995 -0.083 1
1 316 . 19 1 1 A 31 31 ARG CA C 31 58.400 58.688 -0.288 1
1 317 . 19 1 1 A 31 31 ARG CB C 31 30.069 29.922 0.147 1
1 320 . 19 1 1 A 31 31 ARG N N 31 116.943 119.534 -2.591 1
1 321 . 19 1 1 A 32 32 ILE H H 32 7.978 7.661 0.317 1
1 322 . 19 1 1 A 32 32 ILE HA H 32 3.935 3.697 0.238 1
1 332 . 19 1 1 A 32 32 ILE C C 32 177.623 177.676 -0.053 1
1 333 . 19 1 1 A 32 32 ILE CA C 32 63.351 64.210 -0.859 1
1 334 . 19 1 1 A 32 32 ILE CB C 32 37.667 36.999 0.668 1
1 338 . 19 1 1 A 32 32 ILE N N 32 117.036 116.639 0.397 1
1 339 . 19 1 1 A 33 33 HIS H H 33 7.209 7.180 0.029 1
1 340 . 19 1 1 A 33 33 HIS HA H 33 4.820 4.475 0.345 1
1 345 . 19 1 1 A 33 33 HIS C C 33 175.937 178.057 -2.120 1
1 346 . 19 1 1 A 33 33 HIS CA C 33 55.352 58.951 -3.599 1
1 347 . 19 1 1 A 33 33 HIS CB C 33 28.527 30.794 -2.267 1
1 350 . 19 1 1 A 33 33 HIS N N 33 117.235 120.916 -3.681 1
1 351 . 19 1 1 A 34 34 THR H H 34 7.749 8.481 -0.732 1
1 352 . 19 1 1 A 34 34 THR HA H 34 4.369 4.122 0.247 1
1 357 . 19 1 1 A 34 34 THR C C 34 175.653 175.842 -0.189 1
1 358 . 19 1 1 A 34 34 THR CA C 34 62.438 65.291 -2.853 1
1 359 . 19 1 1 A 34 34 THR CB C 34 69.975 68.342 1.633 1
1 361 . 19 1 1 A 34 34 THR N N 34 110.763 113.779 -3.016 1
1 362 . 19 1 1 A 35 35 GLY H H 35 8.174 7.491 0.683 1
1 363 . 19 1 1 A 35 35 GLY HA2 H 35 4.059 4.072 -0.013 1
1 364 . 19 1 1 A 35 35 GLY HA3 H 35 3.950 4.080 -0.130 1
1 365 . 19 1 1 A 35 35 GLY C C 35 174.334 172.382 1.952 1
1 366 . 19 1 1 A 35 35 GLY CA C 35 45.450 44.532 0.918 1
1 367 . 19 1 1 A 35 35 GLY N N 35 110.516 110.548 -0.032 1
1 368 . 19 1 1 A 36 36 GLU H H 36 8.130 8.491 -0.361 1
1 369 . 19 1 1 A 36 36 GLU HA H 36 4.311 4.962 -0.651 1
1 374 . 19 1 1 A 36 36 GLU C C 36 176.510 175.401 1.109 1
1 375 . 19 1 1 A 36 36 GLU CA C 36 56.629 55.170 1.459 1
1 376 . 19 1 1 A 36 36 GLU CB C 36 30.535 31.427 -0.892 1
1 378 . 19 1 1 A 36 36 GLU N N 36 120.680 121.884 -1.204 1
1 379 . 19 1 1 A 37 37 SER H H 37 8.391 8.707 -0.316 1
1 380 . 19 1 1 A 37 37 SER HA H 37 4.481 5.040 -0.559 1
1 383 . 19 1 1 A 37 37 SER C C 37 174.576 173.745 0.831 1
1 384 . 19 1 1 A 37 37 SER CA C 37 58.300 56.962 1.338 1
1 385 . 19 1 1 A 37 37 SER CB C 37 63.990 66.175 -2.185 1
1 386 . 19 1 1 A 37 37 SER N N 37 116.733 122.763 -6.030 1
1 387 . 19 1 1 A 38 38 GLY H H 38 8.240 8.534 -0.294 1
1 388 . 19 1 1 A 38 38 GLY HA2 H 38 4.158 4.129 0.029 1
1 389 . 19 1 1 A 38 38 GLY HA3 H 38 4.064 4.130 -0.066 1
1 390 . 19 1 1 A 38 38 GLY C C 38 171.698 173.837 -2.139 1
1 391 . 19 1 1 A 38 38 GLY CA C 38 44.560 44.979 -0.419 1
1 392 . 19 1 1 A 38 38 GLY N N 38 110.538 110.351 0.187 1
1 393 . 19 1 1 A 39 39 PRO HA H 39 4.474 4.459 0.015 1
1 400 . 19 1 1 A 39 39 PRO C C 39 177.358 176.404 0.954 1
1 401 . 19 1 1 A 39 39 PRO CA C 39 63.172 63.977 -0.805 1
1 402 . 19 1 1 A 39 39 PRO CB C 39 32.197 31.962 0.235 1
1 405 . 19 1 1 A 40 40 SER H H 40 8.542 7.643 0.899 1
1 406 . 19 1 1 A 40 40 SER C C 40 174.651 173.821 0.830 1
1 407 . 19 1 1 A 40 40 SER CA C 40 58.452 57.707 0.745 1
1 408 . 19 1 1 A 40 40 SER CB C 40 63.972 67.139 -3.167 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.956 4.273 -0.317 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.956 4.275 -0.319 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.066 172.344 1.722 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.322 46.120 -0.798 1
1 5 . 20 1 1 A 8 8 GLN H H 8 8.173 8.592 -0.419 1
1 6 . 20 1 1 A 8 8 GLN HA H 8 4.244 5.175 -0.931 1
1 13 . 20 1 1 A 8 8 GLN C C 8 176.010 174.785 1.225 1
1 14 . 20 1 1 A 8 8 GLN CA C 8 56.057 54.773 1.284 1
1 15 . 20 1 1 A 8 8 GLN CB C 8 29.452 30.377 -0.925 1
1 17 . 20 1 1 A 8 8 GLN N N 8 119.348 118.318 1.030 1
1 19 . 20 1 1 A 9 9 LYS H H 9 8.307 8.304 0.003 1
1 20 . 20 1 1 A 9 9 LYS HA H 9 4.522 4.997 -0.475 1
1 29 . 20 1 1 A 9 9 LYS C C 9 173.766 175.259 -1.493 1
1 30 . 20 1 1 A 9 9 LYS CA C 9 53.843 53.125 0.718 1
1 31 . 20 1 1 A 9 9 LYS CB C 9 33.164 34.565 -1.401 1
1 35 . 20 1 1 A 9 9 LYS N N 9 122.358 123.239 -0.881 1
1 36 . 20 1 1 A 10 10 PRO HA H 10 4.279 4.327 -0.048 1
1 43 . 20 1 1 A 10 10 PRO C C 10 176.401 175.986 0.415 1
1 44 . 20 1 1 A 10 10 PRO CA C 10 63.416 64.924 -1.508 1
1 45 . 20 1 1 A 10 10 PRO CB C 10 32.288 31.777 0.511 1
1 48 . 20 1 1 A 11 11 TYR H H 11 7.923 7.878 0.045 1
1 49 . 20 1 1 A 11 11 TYR HA H 11 4.623 4.702 -0.079 1
1 56 . 20 1 1 A 11 11 TYR C C 11 174.286 175.945 -1.659 1
1 57 . 20 1 1 A 11 11 TYR CA C 11 57.971 57.711 0.260 1
1 58 . 20 1 1 A 11 11 TYR CB C 11 38.024 37.921 0.103 1
1 63 . 20 1 1 A 11 11 TYR N N 11 119.366 117.906 1.460 1
1 64 . 20 1 1 A 12 12 VAL H H 12 8.401 9.031 -0.630 1
1 65 . 20 1 1 A 12 12 VAL HA H 12 4.579 4.839 -0.260 1
1 73 . 20 1 1 A 12 12 VAL C C 12 175.233 175.413 -0.180 1
1 74 . 20 1 1 A 12 12 VAL CA C 12 61.292 60.704 0.588 1
1 75 . 20 1 1 A 12 12 VAL CB C 12 34.524 34.591 -0.067 1
1 78 . 20 1 1 A 12 12 VAL N N 12 125.266 124.068 1.198 1
1 79 . 20 1 1 A 13 13 CYS H H 13 9.209 9.265 -0.056 1
1 80 . 20 1 1 A 13 13 CYS HA H 13 4.594 4.695 -0.101 1
1 83 . 20 1 1 A 13 13 CYS C C 13 177.334 176.085 1.249 1
1 84 . 20 1 1 A 13 13 CYS CA C 13 59.708 59.702 0.006 1
1 85 . 20 1 1 A 13 13 CYS CB C 13 29.650 28.493 1.157 1
1 86 . 20 1 1 A 13 13 CYS N N 13 129.222 127.538 1.684 1
1 87 . 20 1 1 A 14 14 ASN H H 14 9.507 9.086 0.421 1
1 88 . 20 1 1 A 14 14 ASN HA H 14 4.511 4.708 -0.197 1
1 93 . 20 1 1 A 14 14 ASN C C 14 175.327 176.165 -0.838 1
1 94 . 20 1 1 A 14 14 ASN CA C 14 55.760 55.031 0.729 1
1 95 . 20 1 1 A 14 14 ASN CB C 14 38.946 38.132 0.814 1
1 96 . 20 1 1 A 14 14 ASN N N 14 130.952 126.597 4.355 1
1 98 . 20 1 1 A 15 15 GLU H H 15 8.759 7.974 0.785 1
1 99 . 20 1 1 A 15 15 GLU HA H 15 4.236 4.147 0.089 1
1 104 . 20 1 1 A 15 15 GLU C C 15 177.222 177.984 -0.762 1
1 105 . 20 1 1 A 15 15 GLU CA C 15 58.127 58.273 -0.146 1
1 106 . 20 1 1 A 15 15 GLU CB C 15 29.464 30.117 -0.653 1
1 108 . 20 1 1 A 15 15 GLU N N 15 120.367 118.117 2.250 1
1 109 . 20 1 1 A 16 16 CYS H H 16 8.075 8.069 0.006 1
1 110 . 20 1 1 A 16 16 CYS HA H 16 5.189 4.695 0.494 1
1 113 . 20 1 1 A 16 16 CYS C C 16 176.487 175.710 0.777 1
1 114 . 20 1 1 A 16 16 CYS CA C 16 58.273 59.284 -1.011 1
1 115 . 20 1 1 A 16 16 CYS CB C 16 32.589 30.431 2.158 1
1 116 . 20 1 1 A 16 16 CYS N N 16 115.028 115.209 -0.181 1
1 117 . 20 1 1 A 17 17 GLY H H 17 8.119 8.098 0.021 1
1 118 . 20 1 1 A 17 17 GLY HA2 H 17 3.740 4.051 -0.311 1
1 119 . 20 1 1 A 17 17 GLY HA3 H 17 4.184 4.068 0.116 1
1 120 . 20 1 1 A 17 17 GLY C C 17 173.579 174.550 -0.971 1
1 121 . 20 1 1 A 17 17 GLY CA C 17 46.154 45.230 0.924 1
1 122 . 20 1 1 A 17 17 GLY N N 17 113.446 110.076 3.370 1
1 123 . 20 1 1 A 18 18 LYS H H 18 7.999 7.661 0.338 1
1 124 . 20 1 1 A 18 18 LYS HA H 18 3.902 4.246 -0.344 1
1 133 . 20 1 1 A 18 18 LYS C C 18 173.431 176.141 -2.710 1
1 134 . 20 1 1 A 18 18 LYS CA C 18 58.308 55.660 2.648 1
1 135 . 20 1 1 A 18 18 LYS CB C 18 33.373 33.113 0.260 1
1 139 . 20 1 1 A 18 18 LYS N N 18 123.594 122.668 0.926 1
1 140 . 20 1 1 A 19 19 ALA H H 19 7.690 8.493 -0.803 1
1 141 . 20 1 1 A 19 19 ALA HA H 19 5.156 5.635 -0.479 1
1 145 . 20 1 1 A 19 19 ALA C C 19 176.397 176.188 0.209 1
1 146 . 20 1 1 A 19 19 ALA CA C 19 50.116 50.716 -0.600 1
1 147 . 20 1 1 A 19 19 ALA CB C 19 22.761 21.439 1.322 1
1 148 . 20 1 1 A 19 19 ALA N N 19 124.433 128.411 -3.978 1
1 149 . 20 1 1 A 20 20 PHE H H 20 8.988 9.286 -0.298 1
1 150 . 20 1 1 A 20 20 PHE HA H 20 4.671 4.935 -0.264 1
1 158 . 20 1 1 A 20 20 PHE C C 20 175.608 176.698 -1.090 1
1 159 . 20 1 1 A 20 20 PHE CA C 20 57.288 56.042 1.246 1
1 160 . 20 1 1 A 20 20 PHE CB C 20 43.643 40.593 3.050 1
1 166 . 20 1 1 A 20 20 PHE N N 20 117.426 117.600 -0.174 1
1 167 . 20 1 1 A 21 21 GLY H H 21 9.144 8.780 0.364 1
1 168 . 20 1 1 A 21 21 GLY HA2 H 21 4.066 3.951 0.115 1
1 169 . 20 1 1 A 21 21 GLY HA3 H 21 4.380 4.012 0.368 1
1 170 . 20 1 1 A 21 21 GLY C C 21 173.415 174.425 -1.010 1
1 171 . 20 1 1 A 21 21 GLY CA C 21 46.269 47.517 -1.248 1
1 172 . 20 1 1 A 21 21 GLY N N 21 108.353 110.848 -2.495 1
1 173 . 20 1 1 A 22 22 LEU H H 22 7.492 7.915 -0.423 1
1 174 . 20 1 1 A 22 22 LEU HA H 22 4.888 4.816 0.072 1
1 184 . 20 1 1 A 22 22 LEU C C 22 176.995 176.783 0.212 1
1 185 . 20 1 1 A 22 22 LEU CA C 22 53.043 53.243 -0.200 1
1 186 . 20 1 1 A 22 22 LEU CB C 22 45.693 44.110 1.583 1
1 190 . 20 1 1 A 22 22 LEU N N 22 117.179 120.938 -3.759 1
1 191 . 20 1 1 A 23 23 LYS H H 23 8.346 8.449 -0.103 1
1 192 . 20 1 1 A 23 23 LYS HA H 23 3.000 2.430 0.570 1
1 201 . 20 1 1 A 23 23 LYS C C 23 178.113 177.991 0.122 1
1 202 . 20 1 1 A 23 23 LYS CA C 23 59.056 58.769 0.287 1
1 203 . 20 1 1 A 23 23 LYS CB C 23 31.452 32.323 -0.871 1
1 207 . 20 1 1 A 23 23 LYS N N 23 127.252 123.200 4.052 1
1 208 . 20 1 1 A 24 24 SER H H 24 8.360 8.110 0.250 1
1 209 . 20 1 1 A 24 24 SER HA H 24 3.865 3.965 -0.100 1
1 212 . 20 1 1 A 24 24 SER C C 24 176.854 176.534 0.320 1
1 213 . 20 1 1 A 24 24 SER CA C 24 60.651 61.889 -1.238 1
1 214 . 20 1 1 A 24 24 SER CB C 24 61.315 62.982 -1.667 1
1 215 . 20 1 1 A 24 24 SER N N 24 111.653 115.410 -3.757 1
1 216 . 20 1 1 A 25 25 GLN H H 25 6.647 8.143 -1.496 1
1 217 . 20 1 1 A 25 25 GLN HA H 25 3.895 3.937 -0.042 1
1 224 . 20 1 1 A 25 25 GLN C C 25 178.428 177.432 0.996 1
1 225 . 20 1 1 A 25 25 GLN CA C 25 57.613 58.813 -1.200 1
1 226 . 20 1 1 A 25 25 GLN CB C 25 28.573 28.328 0.245 1
1 228 . 20 1 1 A 25 25 GLN N N 25 119.141 120.905 -1.764 1
1 230 . 20 1 1 A 26 26 LEU H H 26 6.992 7.744 -0.752 1
1 231 . 20 1 1 A 26 26 LEU HA H 26 3.324 2.864 0.460 1
1 241 . 20 1 1 A 26 26 LEU C C 26 177.103 178.441 -1.338 1
1 242 . 20 1 1 A 26 26 LEU CA C 26 57.854 56.830 1.024 1
1 243 . 20 1 1 A 26 26 LEU CB C 26 40.350 42.157 -1.807 1
1 247 . 20 1 1 A 26 26 LEU N N 26 122.365 120.473 1.892 1
1 248 . 20 1 1 A 27 27 ILE H H 27 7.971 7.641 0.330 1
1 249 . 20 1 1 A 27 27 ILE HA H 27 3.725 3.658 0.067 1
1 259 . 20 1 1 A 27 27 ILE C C 27 178.803 178.658 0.145 1
1 260 . 20 1 1 A 27 27 ILE CA C 27 64.616 65.093 -0.477 1
1 261 . 20 1 1 A 27 27 ILE CB C 27 37.833 37.333 0.500 1
1 265 . 20 1 1 A 27 27 ILE N N 27 118.447 119.188 -0.741 1
1 266 . 20 1 1 A 28 28 ILE H H 28 7.047 7.767 -0.720 1
1 267 . 20 1 1 A 28 28 ILE HA H 28 3.572 3.830 -0.258 1
1 277 . 20 1 1 A 28 28 ILE C C 28 178.591 178.332 0.259 1
1 278 . 20 1 1 A 28 28 ILE CA C 28 64.607 63.201 1.406 1
1 279 . 20 1 1 A 28 28 ILE CB C 28 38.385 36.625 1.760 1
1 283 . 20 1 1 A 28 28 ILE N N 28 118.309 121.971 -3.662 1
1 284 . 20 1 1 A 29 29 HIS H H 29 7.575 7.929 -0.354 1
1 285 . 20 1 1 A 29 29 HIS HA H 29 4.116 4.182 -0.066 1
1 290 . 20 1 1 A 29 29 HIS C C 29 176.399 177.346 -0.947 1
1 291 . 20 1 1 A 29 29 HIS CA C 29 59.638 59.323 0.315 1
1 292 . 20 1 1 A 29 29 HIS CB C 29 28.686 29.721 -1.035 1
1 295 . 20 1 1 A 29 29 HIS N N 29 120.367 120.842 -0.475 1
1 296 . 20 1 1 A 30 30 GLU H H 30 8.691 8.629 0.062 1
1 297 . 20 1 1 A 30 30 GLU HA H 30 3.695 3.930 -0.235 1
1 302 . 20 1 1 A 30 30 GLU C C 30 178.190 179.215 -1.025 1
1 303 . 20 1 1 A 30 30 GLU CA C 30 60.106 60.075 0.031 1
1 304 . 20 1 1 A 30 30 GLU CB C 30 29.866 29.195 0.671 1
1 306 . 20 1 1 A 30 30 GLU N N 30 116.137 117.491 -1.354 1
1 307 . 20 1 1 A 31 31 ARG H H 31 7.138 7.916 -0.778 1
1 308 . 20 1 1 A 31 31 ARG HA H 31 4.178 4.227 -0.049 1
1 315 . 20 1 1 A 31 31 ARG C C 31 178.912 179.029 -0.117 1
1 316 . 20 1 1 A 31 31 ARG CA C 31 58.400 58.980 -0.580 1
1 317 . 20 1 1 A 31 31 ARG CB C 31 30.069 29.861 0.208 1
1 320 . 20 1 1 A 31 31 ARG N N 31 116.943 119.940 -2.997 1
1 321 . 20 1 1 A 32 32 ILE H H 32 7.978 7.833 0.145 1
1 322 . 20 1 1 A 32 32 ILE HA H 32 3.935 3.666 0.269 1
1 332 . 20 1 1 A 32 32 ILE C C 32 177.623 177.233 0.390 1
1 333 . 20 1 1 A 32 32 ILE CA C 32 63.351 63.719 -0.368 1
1 334 . 20 1 1 A 32 32 ILE CB C 32 37.667 37.111 0.556 1
1 338 . 20 1 1 A 32 32 ILE N N 32 117.036 117.866 -0.830 1
1 339 . 20 1 1 A 33 33 HIS H H 33 7.209 7.212 -0.003 1
1 340 . 20 1 1 A 33 33 HIS HA H 33 4.820 4.473 0.347 1
1 345 . 20 1 1 A 33 33 HIS C C 33 175.937 177.905 -1.968 1
1 346 . 20 1 1 A 33 33 HIS CA C 33 55.352 58.349 -2.997 1
1 347 . 20 1 1 A 33 33 HIS CB C 33 28.527 30.908 -2.381 1
1 350 . 20 1 1 A 33 33 HIS N N 33 117.235 120.503 -3.268 1
1 351 . 20 1 1 A 34 34 THR H H 34 7.749 7.901 -0.152 1
1 352 . 20 1 1 A 34 34 THR HA H 34 4.369 4.106 0.263 1
1 357 . 20 1 1 A 34 34 THR C C 34 175.653 175.336 0.317 1
1 358 . 20 1 1 A 34 34 THR CA C 34 62.438 63.616 -1.178 1
1 359 . 20 1 1 A 34 34 THR CB C 34 69.975 69.814 0.161 1
1 361 . 20 1 1 A 34 34 THR N N 34 110.763 110.293 0.470 1
1 362 . 20 1 1 A 35 35 GLY H H 35 8.174 7.380 0.794 1
1 363 . 20 1 1 A 35 35 GLY HA2 H 35 4.059 4.046 0.013 1
1 364 . 20 1 1 A 35 35 GLY HA3 H 35 3.950 4.047 -0.097 1
1 365 . 20 1 1 A 35 35 GLY C C 35 174.334 174.607 -0.273 1
1 366 . 20 1 1 A 35 35 GLY CA C 35 45.450 45.697 -0.247 1
1 367 . 20 1 1 A 35 35 GLY N N 35 110.516 109.787 0.729 1
1 368 . 20 1 1 A 36 36 GLU H H 36 8.130 8.162 -0.032 1
1 369 . 20 1 1 A 36 36 GLU HA H 36 4.311 4.534 -0.223 1
1 374 . 20 1 1 A 36 36 GLU C C 36 176.510 175.944 0.566 1
1 375 . 20 1 1 A 36 36 GLU CA C 36 56.629 57.737 -1.108 1
1 376 . 20 1 1 A 36 36 GLU CB C 36 30.535 32.217 -1.682 1
1 378 . 20 1 1 A 36 36 GLU N N 36 120.680 123.436 -2.756 1
1 379 . 20 1 1 A 37 37 SER H H 37 8.391 8.163 0.228 1
1 380 . 20 1 1 A 37 37 SER HA H 37 4.481 4.568 -0.087 1
1 383 . 20 1 1 A 37 37 SER C C 37 174.576 173.625 0.951 1
1 384 . 20 1 1 A 37 37 SER CA C 37 58.300 58.099 0.201 1
1 385 . 20 1 1 A 37 37 SER CB C 37 63.990 61.653 2.337 1
1 386 . 20 1 1 A 37 37 SER N N 37 116.733 115.343 1.390 1
1 387 . 20 1 1 A 38 38 GLY H H 38 8.240 8.104 0.136 1
1 388 . 20 1 1 A 38 38 GLY HA2 H 38 4.158 4.166 -0.008 1
1 389 . 20 1 1 A 38 38 GLY HA3 H 38 4.064 4.166 -0.102 1
1 390 . 20 1 1 A 38 38 GLY C C 38 171.698 172.974 -1.276 1
1 391 . 20 1 1 A 38 38 GLY CA C 38 44.560 44.778 -0.218 1
1 392 . 20 1 1 A 38 38 GLY N N 38 110.538 112.472 -1.934 1
1 393 . 20 1 1 A 39 39 PRO HA H 39 4.474 4.759 -0.285 1
1 400 . 20 1 1 A 39 39 PRO C C 39 177.358 175.829 1.529 1
1 401 . 20 1 1 A 39 39 PRO CA C 39 63.172 62.401 0.771 1
1 402 . 20 1 1 A 39 39 PRO CB C 39 32.197 29.367 2.830 1
1 405 . 20 1 1 A 40 40 SER H H 40 8.542 8.480 0.062 1
1 406 . 20 1 1 A 40 40 SER C C 40 174.651 175.156 -0.505 1
1 407 . 20 1 1 A 40 40 SER CA C 40 58.452 57.574 0.878 1
1 408 . 20 1 1 A 40 40 SER CB C 40 63.972 65.352 -1.380 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 34 1.039 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.274 1
3 1 1 1 "RMS(OBS, PRED)" CB 29 1.256 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.512 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.268 1
6 1 1 1 "RMS(OBS, PRED)" N 30 2.731 1
7 1 2 1 "RMS(OBS, PRED)" C 34 1.061 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.290 1
9 1 2 1 "RMS(OBS, PRED)" CB 29 1.293 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.549 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.300 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.567 1
13 1 3 1 "RMS(OBS, PRED)" C 34 1.103 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.381 1
15 1 3 1 "RMS(OBS, PRED)" CB 29 1.190 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.535 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.285 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.451 1
19 1 4 1 "RMS(OBS, PRED)" C 34 1.072 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.183 1
21 1 4 1 "RMS(OBS, PRED)" CB 29 1.221 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.513 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.257 1
24 1 4 1 "RMS(OBS, PRED)" N 30 2.569 1
25 1 5 1 "RMS(OBS, PRED)" C 34 1.168 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.273 1
27 1 5 1 "RMS(OBS, PRED)" CB 29 1.203 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.535 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.292 1
30 1 5 1 "RMS(OBS, PRED)" N 30 2.732 1
31 1 6 1 "RMS(OBS, PRED)" C 34 1.181 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.313 1
33 1 6 1 "RMS(OBS, PRED)" CB 29 1.341 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.518 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.332 1
36 1 6 1 "RMS(OBS, PRED)" N 30 2.496 1
37 1 7 1 "RMS(OBS, PRED)" C 34 1.131 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.298 1
39 1 7 1 "RMS(OBS, PRED)" CB 29 1.398 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.510 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.305 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.521 1
43 1 8 1 "RMS(OBS, PRED)" C 34 1.117 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.280 1
45 1 8 1 "RMS(OBS, PRED)" CB 29 1.367 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.511 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.286 1
48 1 8 1 "RMS(OBS, PRED)" N 30 2.394 1
49 1 9 1 "RMS(OBS, PRED)" C 34 1.031 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.279 1
51 1 9 1 "RMS(OBS, PRED)" CB 29 1.301 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.519 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.278 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.500 1
55 1 10 1 "RMS(OBS, PRED)" C 34 1.105 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.174 1
57 1 10 1 "RMS(OBS, PRED)" CB 29 1.321 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.549 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.316 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.448 1
61 1 11 1 "RMS(OBS, PRED)" C 34 1.084 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.281 1
63 1 11 1 "RMS(OBS, PRED)" CB 29 1.372 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.487 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.309 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.611 1
67 1 12 1 "RMS(OBS, PRED)" C 34 1.213 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.342 1
69 1 12 1 "RMS(OBS, PRED)" CB 29 1.389 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.486 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.314 1
72 1 12 1 "RMS(OBS, PRED)" N 30 2.338 1
73 1 13 1 "RMS(OBS, PRED)" C 34 1.147 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.401 1
75 1 13 1 "RMS(OBS, PRED)" CB 29 1.189 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.510 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.274 1
78 1 13 1 "RMS(OBS, PRED)" N 30 2.444 1
79 1 14 1 "RMS(OBS, PRED)" C 34 1.050 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.364 1
81 1 14 1 "RMS(OBS, PRED)" CB 29 1.264 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.535 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.301 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.506 1
85 1 15 1 "RMS(OBS, PRED)" C 34 1.119 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.213 1
87 1 15 1 "RMS(OBS, PRED)" CB 29 1.274 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.525 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.292 1
90 1 15 1 "RMS(OBS, PRED)" N 30 2.443 1
91 1 16 1 "RMS(OBS, PRED)" C 34 1.010 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.383 1
93 1 16 1 "RMS(OBS, PRED)" CB 29 1.190 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.541 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.262 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.489 1
97 1 17 1 "RMS(OBS, PRED)" C 34 1.080 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.217 1
99 1 17 1 "RMS(OBS, PRED)" CB 29 1.420 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.519 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.293 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.428 1
103 1 18 1 "RMS(OBS, PRED)" C 34 1.035 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.174 1
105 1 18 1 "RMS(OBS, PRED)" CB 29 1.215 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.487 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.258 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.503 1
109 1 19 1 "RMS(OBS, PRED)" C 34 1.107 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.224 1
111 1 19 1 "RMS(OBS, PRED)" CB 29 1.379 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.548 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.296 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.578 1
115 1 20 1 "RMS(OBS, PRED)" C 34 1.077 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.079 1
117 1 20 1 "RMS(OBS, PRED)" CB 29 1.461 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.501 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.306 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.409 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.956 4.096 -0.140 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.956 4.098 -0.142 2
1 3 . 1 1 A 7 7 GLY C C 7 174.066 172.847 1.219 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.322 44.993 0.329 2
1 5 . 1 1 A 8 8 GLN H H 8 8.173 8.469 -0.296 2
1 6 . 1 1 A 8 8 GLN HA H 8 4.244 4.839 -0.595 2
1 13 . 1 1 A 8 8 GLN C C 8 176.010 174.899 1.111 2
1 14 . 1 1 A 8 8 GLN CA C 8 56.057 55.017 1.040 2
1 15 . 1 1 A 8 8 GLN CB C 8 29.452 30.304 -0.852 2
1 17 . 1 1 A 8 8 GLN N N 8 119.348 119.207 0.141 2
1 19 . 1 1 A 9 9 LYS H H 9 8.307 8.487 -0.180 2
1 20 . 1 1 A 9 9 LYS HA H 9 4.522 5.038 -0.516 2
1 29 . 1 1 A 9 9 LYS C C 9 173.766 175.404 -1.637 2
1 30 . 1 1 A 9 9 LYS CA C 9 53.843 53.252 0.591 2
1 31 . 1 1 A 9 9 LYS CB C 9 33.164 33.499 -0.335 2
1 35 . 1 1 A 9 9 LYS N N 9 122.358 124.045 -1.687 2
1 36 . 1 1 A 10 10 PRO HA H 10 4.279 4.338 -0.059 2
1 43 . 1 1 A 10 10 PRO C C 10 176.401 175.982 0.419 2
1 44 . 1 1 A 10 10 PRO CA C 10 63.416 64.955 -1.539 2
1 45 . 1 1 A 10 10 PRO CB C 10 32.288 31.768 0.520 2
1 48 . 1 1 A 11 11 TYR H H 11 7.923 7.896 0.027 2
1 49 . 1 1 A 11 11 TYR HA H 11 4.623 4.685 -0.062 2
1 56 . 1 1 A 11 11 TYR C C 11 174.286 175.749 -1.463 2
1 57 . 1 1 A 11 11 TYR CA C 11 57.971 57.672 0.299 2
1 58 . 1 1 A 11 11 TYR CB C 11 38.024 37.752 0.272 2
1 63 . 1 1 A 11 11 TYR N N 11 119.366 117.867 1.499 2
1 64 . 1 1 A 12 12 VAL H H 12 8.401 8.771 -0.370 2
1 65 . 1 1 A 12 12 VAL HA H 12 4.579 4.831 -0.252 2
1 73 . 1 1 A 12 12 VAL C C 12 175.233 175.541 -0.308 2
1 74 . 1 1 A 12 12 VAL CA C 12 61.292 60.756 0.536 2
1 75 . 1 1 A 12 12 VAL CB C 12 34.524 34.484 0.040 2
1 78 . 1 1 A 12 12 VAL N N 12 125.266 124.350 0.916 2
1 79 . 1 1 A 13 13 CYS H H 13 9.209 9.360 -0.151 2
1 80 . 1 1 A 13 13 CYS HA H 13 4.594 4.606 -0.012 2
1 83 . 1 1 A 13 13 CYS C C 13 177.334 175.797 1.537 2
1 84 . 1 1 A 13 13 CYS CA C 13 59.708 59.868 -0.160 2
1 85 . 1 1 A 13 13 CYS CB C 13 29.650 28.549 1.101 2
1 86 . 1 1 A 13 13 CYS N N 13 129.222 127.607 1.615 2
1 87 . 1 1 A 14 14 ASN H H 14 9.507 9.142 0.365 2
1 88 . 1 1 A 14 14 ASN HA H 14 4.511 4.798 -0.287 2
1 93 . 1 1 A 14 14 ASN C C 14 175.327 176.016 -0.689 2
1 94 . 1 1 A 14 14 ASN CA C 14 55.760 54.288 1.472 2
1 95 . 1 1 A 14 14 ASN CB C 14 38.946 38.606 0.340 2
1 96 . 1 1 A 14 14 ASN N N 14 130.952 126.351 4.601 2
1 98 . 1 1 A 15 15 GLU H H 15 8.759 7.972 0.787 2
1 99 . 1 1 A 15 15 GLU HA H 15 4.236 4.174 0.062 2
1 104 . 1 1 A 15 15 GLU C C 15 177.222 177.962 -0.740 2
1 105 . 1 1 A 15 15 GLU CA C 15 58.127 58.032 0.095 2
1 106 . 1 1 A 15 15 GLU CB C 15 29.464 30.103 -0.639 2
1 108 . 1 1 A 15 15 GLU N N 15 120.367 117.822 2.545 2
1 109 . 1 1 A 16 16 CYS H H 16 8.075 8.073 0.002 2
1 110 . 1 1 A 16 16 CYS HA H 16 5.189 4.703 0.486 2
1 113 . 1 1 A 16 16 CYS C C 16 176.487 175.622 0.865 2
1 114 . 1 1 A 16 16 CYS CA C 16 58.273 59.331 -1.058 2
1 115 . 1 1 A 16 16 CYS CB C 16 32.589 30.347 2.242 2
1 116 . 1 1 A 16 16 CYS N N 16 115.028 115.049 -0.021 2
1 117 . 1 1 A 17 17 GLY H H 17 8.119 8.290 -0.171 2
1 118 . 1 1 A 17 17 GLY HA2 H 17 3.740 4.056 -0.316 2
1 119 . 1 1 A 17 17 GLY HA3 H 17 4.184 4.073 0.111 2
1 120 . 1 1 A 17 17 GLY C C 17 173.579 174.391 -0.812 2
1 121 . 1 1 A 17 17 GLY CA C 17 46.154 45.233 0.921 2
1 122 . 1 1 A 17 17 GLY N N 17 113.446 110.305 3.141 2
1 123 . 1 1 A 18 18 LYS H H 18 7.999 7.676 0.323 2
1 124 . 1 1 A 18 18 LYS HA H 18 3.902 4.342 -0.440 2
1 133 . 1 1 A 18 18 LYS C C 18 173.431 175.969 -2.538 2
1 134 . 1 1 A 18 18 LYS CA C 18 58.308 55.450 2.858 2
1 135 . 1 1 A 18 18 LYS CB C 18 33.373 33.324 0.049 2
1 139 . 1 1 A 18 18 LYS N N 18 123.594 122.187 1.407 2
1 140 . 1 1 A 19 19 ALA H H 19 7.690 8.539 -0.849 2
1 141 . 1 1 A 19 19 ALA HA H 19 5.156 5.595 -0.439 2
1 145 . 1 1 A 19 19 ALA C C 19 176.397 176.242 0.155 2
1 146 . 1 1 A 19 19 ALA CA C 19 50.116 50.792 -0.676 2
1 147 . 1 1 A 19 19 ALA CB C 19 22.761 21.314 1.447 2
1 148 . 1 1 A 19 19 ALA N N 19 124.433 128.752 -4.319 2
1 149 . 1 1 A 20 20 PHE H H 20 8.988 9.251 -0.263 2
1 150 . 1 1 A 20 20 PHE HA H 20 4.671 4.935 -0.264 2
1 158 . 1 1 A 20 20 PHE C C 20 175.608 176.667 -1.059 2
1 159 . 1 1 A 20 20 PHE CA C 20 57.288 56.167 1.121 2
1 160 . 1 1 A 20 20 PHE CB C 20 43.643 40.895 2.748 2
1 166 . 1 1 A 20 20 PHE N N 20 117.426 117.587 -0.161 2
1 167 . 1 1 A 21 21 GLY H H 21 9.144 8.796 0.348 2
1 168 . 1 1 A 21 21 GLY HA2 H 21 4.066 3.936 0.130 2
1 169 . 1 1 A 21 21 GLY HA3 H 21 4.380 3.996 0.384 2
1 170 . 1 1 A 21 21 GLY C C 21 173.415 174.355 -0.940 2
1 171 . 1 1 A 21 21 GLY CA C 21 46.269 47.416 -1.147 2
1 172 . 1 1 A 21 21 GLY N N 21 108.353 110.889 -2.536 2
1 173 . 1 1 A 22 22 LEU H H 22 7.492 7.862 -0.370 2
1 174 . 1 1 A 22 22 LEU HA H 22 4.888 4.787 0.101 2
1 184 . 1 1 A 22 22 LEU C C 22 176.995 176.655 0.340 2
1 185 . 1 1 A 22 22 LEU CA C 22 53.043 53.205 -0.162 2
1 186 . 1 1 A 22 22 LEU CB C 22 45.693 44.369 1.324 2
1 190 . 1 1 A 22 22 LEU N N 22 117.179 120.836 -3.657 2
1 191 . 1 1 A 23 23 LYS H H 23 8.346 8.416 -0.070 2
1 192 . 1 1 A 23 23 LYS HA H 23 3.000 2.597 0.403 2
1 201 . 1 1 A 23 23 LYS C C 23 178.113 177.946 0.167 2
1 202 . 1 1 A 23 23 LYS CA C 23 59.056 58.724 0.332 2
1 203 . 1 1 A 23 23 LYS CB C 23 31.452 32.130 -0.678 2
1 207 . 1 1 A 23 23 LYS N N 23 127.252 123.164 4.088 2
1 208 . 1 1 A 24 24 SER H H 24 8.360 8.134 0.226 2
1 209 . 1 1 A 24 24 SER HA H 24 3.865 4.028 -0.163 2
1 212 . 1 1 A 24 24 SER C C 24 176.854 176.809 0.045 2
1 213 . 1 1 A 24 24 SER CA C 24 60.651 61.601 -0.950 2
1 214 . 1 1 A 24 24 SER CB C 24 61.315 62.875 -1.560 2
1 215 . 1 1 A 24 24 SER N N 24 111.653 114.562 -2.909 2
1 216 . 1 1 A 25 25 GLN H H 25 6.647 8.089 -1.442 2
1 217 . 1 1 A 25 25 GLN HA H 25 3.895 3.927 -0.032 2
1 224 . 1 1 A 25 25 GLN C C 25 178.428 177.827 0.601 2
1 225 . 1 1 A 25 25 GLN CA C 25 57.613 58.879 -1.266 2
1 226 . 1 1 A 25 25 GLN CB C 25 28.573 28.237 0.336 2
1 228 . 1 1 A 25 25 GLN N N 25 119.141 121.245 -2.104 2
1 230 . 1 1 A 26 26 LEU H H 26 6.992 7.671 -0.679 2
1 231 . 1 1 A 26 26 LEU HA H 26 3.324 2.797 0.527 2
1 241 . 1 1 A 26 26 LEU C C 26 177.103 178.262 -1.159 2
1 242 . 1 1 A 26 26 LEU CA C 26 57.854 57.058 0.796 2
1 243 . 1 1 A 26 26 LEU CB C 26 40.350 41.647 -1.297 2
1 247 . 1 1 A 26 26 LEU N N 26 122.365 120.169 2.196 2
1 248 . 1 1 A 27 27 ILE H H 27 7.971 7.772 0.199 2
1 249 . 1 1 A 27 27 ILE HA H 27 3.725 3.703 0.022 2
1 259 . 1 1 A 27 27 ILE C C 27 178.803 178.177 0.626 2
1 260 . 1 1 A 27 27 ILE CA C 27 64.616 65.311 -0.695 2
1 261 . 1 1 A 27 27 ILE CB C 27 37.833 37.812 0.021 2
1 265 . 1 1 A 27 27 ILE N N 27 118.447 119.425 -0.978 2
1 266 . 1 1 A 28 28 ILE H H 28 7.047 8.033 -0.986 2
1 267 . 1 1 A 28 28 ILE HA H 28 3.572 3.693 -0.121 2
1 277 . 1 1 A 28 28 ILE C C 28 178.591 178.366 0.225 2
1 278 . 1 1 A 28 28 ILE CA C 28 64.607 64.276 0.331 2
1 279 . 1 1 A 28 28 ILE CB C 28 38.385 36.786 1.599 2
1 283 . 1 1 A 28 28 ILE N N 28 118.309 120.802 -2.493 2
1 284 . 1 1 A 29 29 HIS H H 29 7.575 7.634 -0.059 2
1 285 . 1 1 A 29 29 HIS HA H 29 4.116 4.193 -0.077 2
1 290 . 1 1 A 29 29 HIS C C 29 176.399 177.267 -0.868 2
1 291 . 1 1 A 29 29 HIS CA C 29 59.638 59.574 0.064 2
1 292 . 1 1 A 29 29 HIS CB C 29 28.686 29.656 -0.970 2
1 295 . 1 1 A 29 29 HIS N N 29 120.367 120.470 -0.103 2
1 296 . 1 1 A 30 30 GLU H H 30 8.691 8.763 -0.072 2
1 297 . 1 1 A 30 30 GLU HA H 30 3.695 3.959 -0.264 2
1 302 . 1 1 A 30 30 GLU C C 30 178.190 179.248 -1.058 2
1 303 . 1 1 A 30 30 GLU CA C 30 60.106 59.969 0.137 2
1 304 . 1 1 A 30 30 GLU CB C 30 29.866 29.218 0.648 2
1 306 . 1 1 A 30 30 GLU N N 30 116.137 117.498 -1.361 2
1 307 . 1 1 A 31 31 ARG H H 31 7.138 7.937 -0.799 2
1 308 . 1 1 A 31 31 ARG HA H 31 4.178 4.159 0.019 2
1 315 . 1 1 A 31 31 ARG C C 31 178.912 179.000 -0.088 2
1 316 . 1 1 A 31 31 ARG CA C 31 58.400 58.832 -0.432 2
1 317 . 1 1 A 31 31 ARG CB C 31 30.069 29.885 0.184 2
1 320 . 1 1 A 31 31 ARG N N 31 116.943 119.670 -2.727 2
1 321 . 1 1 A 32 32 ILE H H 32 7.978 7.714 0.264 2
1 322 . 1 1 A 32 32 ILE HA H 32 3.935 3.706 0.229 2
1 332 . 1 1 A 32 32 ILE C C 32 177.623 177.510 0.113 2
1 333 . 1 1 A 32 32 ILE CA C 32 63.351 63.998 -0.647 2
1 334 . 1 1 A 32 32 ILE CB C 32 37.667 37.069 0.598 2
1 338 . 1 1 A 32 32 ILE N N 32 117.036 117.121 -0.085 2
1 339 . 1 1 A 33 33 HIS H H 33 7.209 7.224 -0.015 2
1 340 . 1 1 A 33 33 HIS HA H 33 4.820 4.458 0.362 2
1 345 . 1 1 A 33 33 HIS C C 33 175.937 177.915 -1.978 2
1 346 . 1 1 A 33 33 HIS CA C 33 55.352 58.840 -3.488 2
1 347 . 1 1 A 33 33 HIS CB C 33 28.527 30.764 -2.237 2
1 350 . 1 1 A 33 33 HIS N N 33 117.235 120.762 -3.527 2
1 351 . 1 1 A 34 34 THR H H 34 7.749 8.262 -0.513 2
1 352 . 1 1 A 34 34 THR HA H 34 4.369 4.130 0.239 2
1 357 . 1 1 A 34 34 THR C C 34 175.653 176.043 -0.390 2
1 358 . 1 1 A 34 34 THR CA C 34 62.438 65.077 -2.639 2
1 359 . 1 1 A 34 34 THR CB C 34 69.975 68.455 1.520 2
1 361 . 1 1 A 34 34 THR N N 34 110.763 113.128 -2.365 2
1 362 . 1 1 A 35 35 GLY H H 35 8.174 7.598 0.576 2
1 363 . 1 1 A 35 35 GLY HA2 H 35 4.059 3.916 0.143 2
1 364 . 1 1 A 35 35 GLY HA3 H 35 3.950 3.925 0.025 2
1 365 . 1 1 A 35 35 GLY C C 35 174.334 173.963 0.371 2
1 366 . 1 1 A 35 35 GLY CA C 35 45.450 46.006 -0.556 2
1 367 . 1 1 A 35 35 GLY N N 35 110.516 110.034 0.482 2
1 368 . 1 1 A 36 36 GLU H H 36 8.130 8.183 -0.053 2
1 369 . 1 1 A 36 36 GLU HA H 36 4.311 4.485 -0.174 2
1 374 . 1 1 A 36 36 GLU C C 36 176.510 176.280 0.230 2
1 375 . 1 1 A 36 36 GLU CA C 36 56.629 56.482 0.147 2
1 376 . 1 1 A 36 36 GLU CB C 36 30.535 30.877 -0.342 2
1 378 . 1 1 A 36 36 GLU N N 36 120.680 121.118 -0.438 2
1 379 . 1 1 A 37 37 SER H H 37 8.391 8.514 -0.123 2
1 380 . 1 1 A 37 37 SER HA H 37 4.481 4.572 -0.091 2
1 383 . 1 1 A 37 37 SER C C 37 174.576 174.111 0.465 2
1 384 . 1 1 A 37 37 SER CA C 37 58.300 58.456 -0.156 2
1 385 . 1 1 A 37 37 SER CB C 37 63.990 63.834 0.156 2
1 386 . 1 1 A 37 37 SER N N 37 116.733 118.009 -1.276 2
1 387 . 1 1 A 38 38 GLY H H 38 8.240 8.284 -0.044 2
1 388 . 1 1 A 38 38 GLY HA2 H 38 4.158 4.106 0.052 2
1 389 . 1 1 A 38 38 GLY HA3 H 38 4.064 4.111 -0.047 2
1 390 . 1 1 A 38 38 GLY C C 38 171.698 173.417 -1.719 2
1 391 . 1 1 A 38 38 GLY CA C 38 44.560 44.730 -0.170 2
1 392 . 1 1 A 38 38 GLY N N 38 110.538 110.565 -0.027 2
1 393 . 1 1 A 39 39 PRO HA H 39 4.474 4.505 -0.031 2
1 400 . 1 1 A 39 39 PRO C C 39 177.358 176.666 0.692 2
1 401 . 1 1 A 39 39 PRO CA C 39 63.172 63.491 -0.319 2
1 402 . 1 1 A 39 39 PRO CB C 39 32.197 31.772 0.425 2
1 405 . 1 1 A 40 40 SER H H 40 8.542 8.281 0.261 2
1 406 . 1 1 A 40 40 SER C C 40 174.651 174.136 0.515 2
1 407 . 1 1 A 40 40 SER CA C 40 58.452 58.523 -0.071 2
1 408 . 1 1 A 40 40 SER CB C 40 63.972 64.024 -0.052 2
stop_
save_