data_15341_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15341
_Entry.PDB_ID 2JRR
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 THR HA H 2 3.902 4.288 -0.386 1
1 6 . 1 1 1 A 2 2 THR CA C 2 61.460 62.418 -0.958 1
1 7 . 1 1 1 A 2 2 THR CB C 2 69.379 69.346 0.033 1
1 9 . 1 1 1 A 3 3 ILE H H 3 8.671 8.100 0.571 1
1 10 . 1 1 1 A 3 3 ILE HA H 3 4.166 3.869 0.297 1
1 20 . 1 1 1 A 3 3 ILE CA C 3 61.569 62.396 -0.827 1
1 21 . 1 1 1 A 3 3 ILE CB C 3 38.770 35.707 3.063 1
1 25 . 1 1 1 A 3 3 ILE N N 3 124.520 121.926 2.594 1
1 26 . 1 1 1 A 4 4 GLN H H 4 8.477 8.460 0.017 1
1 27 . 1 1 1 A 4 4 GLN HA H 4 4.291 4.112 0.179 1
1 34 . 1 1 1 A 4 4 GLN CA C 4 55.615 57.964 -2.349 1
1 35 . 1 1 1 A 4 4 GLN CB C 4 29.590 27.348 2.242 1
1 37 . 1 1 1 A 4 4 GLN N N 4 124.855 117.736 7.119 1
1 39 . 1 1 1 A 5 5 ALA H H 5 8.334 8.354 -0.020 1
1 40 . 1 1 1 A 5 5 ALA HA H 5 4.568 4.733 -0.165 1
1 44 . 1 1 1 A 5 5 ALA CA C 5 50.464 49.641 0.823 1
1 45 . 1 1 1 A 5 5 ALA CB C 5 18.235 19.101 -0.866 1
1 46 . 1 1 1 A 5 5 ALA N N 5 127.159 121.820 5.339 1
1 47 . 1 1 1 A 6 6 PRO HA H 6 4.429 4.629 -0.200 1
1 53 . 1 1 1 A 6 6 PRO CA C 6 63.072 62.247 0.825 1
1 54 . 1 1 1 A 6 6 PRO CB C 6 32.220 29.525 2.695 1
1 57 . 1 1 1 A 7 7 GLU H H 7 8.363 8.355 0.008 1
1 58 . 1 1 1 A 7 7 GLU HA H 7 4.280 4.497 -0.217 1
1 62 . 1 1 1 A 7 7 GLU CA C 7 56.298 55.376 0.922 1
1 63 . 1 1 1 A 7 7 GLU CB C 7 31.415 29.811 1.604 1
1 65 . 1 1 1 A 7 7 GLU N N 7 122.629 123.144 -0.515 1
1 66 . 1 1 1 A 8 8 THR H H 8 8.219 8.777 -0.558 1
1 67 . 1 1 1 A 8 8 THR HA H 8 4.948 4.778 0.170 1
1 72 . 1 1 1 A 8 8 THR CA C 8 62.157 63.776 -1.619 1
1 73 . 1 1 1 A 8 8 THR CB C 8 70.658 69.080 1.578 1
1 75 . 1 1 1 A 8 8 THR N N 8 119.082 121.152 -2.070 1
1 76 . 1 1 1 A 9 9 LYS H H 9 8.885 8.964 -0.079 1
1 77 . 1 1 1 A 9 9 LYS HA H 9 4.513 4.964 -0.451 1
1 86 . 1 1 1 A 9 9 LYS CA C 9 55.062 54.866 0.196 1
1 87 . 1 1 1 A 9 9 LYS CB C 9 35.316 35.724 -0.408 1
1 91 . 1 1 1 A 9 9 LYS N N 9 128.038 125.364 2.674 1
1 92 . 1 1 1 A 10 10 ILE H H 10 8.550 8.828 -0.278 1
1 93 . 1 1 1 A 10 10 ILE HA H 10 5.029 5.020 0.009 1
1 103 . 1 1 1 A 10 10 ILE CA C 10 59.908 60.400 -0.492 1
1 104 . 1 1 1 A 10 10 ILE CB C 10 37.184 37.706 -0.522 1
1 108 . 1 1 1 A 10 10 ILE N N 10 124.813 124.865 -0.052 1
1 109 . 1 1 1 A 11 11 VAL H H 11 9.253 9.134 0.119 1
1 110 . 1 1 1 A 11 11 VAL HA H 11 4.970 4.548 0.422 1
1 118 . 1 1 1 A 11 11 VAL CA C 11 59.300 60.483 -1.183 1
1 119 . 1 1 1 A 11 11 VAL CB C 11 35.700 33.885 1.815 1
1 122 . 1 1 1 A 11 11 VAL N N 11 121.581 127.154 -5.573 1
1 123 . 1 1 1 A 12 12 ASP H H 12 8.471 8.907 -0.436 1
1 124 . 1 1 1 A 12 12 ASP HA H 12 4.825 4.534 0.291 1
1 127 . 1 1 1 A 12 12 ASP CA C 12 53.836 56.336 -2.500 1
1 128 . 1 1 1 A 12 12 ASP CB C 12 41.671 41.654 0.017 1
1 129 . 1 1 1 A 12 12 ASP N N 12 118.084 124.148 -6.064 1
1 130 . 1 1 1 A 13 13 LYS H H 13 7.170 7.940 -0.770 1
1 131 . 1 1 1 A 13 13 LYS HA H 13 4.679 4.729 -0.050 1
1 140 . 1 1 1 A 13 13 LYS CA C 13 54.180 54.556 -0.376 1
1 141 . 1 1 1 A 13 13 LYS CB C 13 35.890 33.977 1.913 1
1 145 . 1 1 1 A 13 13 LYS N N 13 117.300 117.864 -0.564 1
1 146 . 1 1 1 A 14 14 SER H H 14 8.254 8.605 -0.351 1
1 147 . 1 1 1 A 14 14 SER HA H 14 4.170 4.514 -0.344 1
1 150 . 1 1 1 A 14 14 SER CA C 14 60.024 60.656 -0.632 1
1 151 . 1 1 1 A 14 14 SER CB C 14 63.593 63.928 -0.335 1
1 152 . 1 1 1 A 14 14 SER N N 14 111.308 115.619 -4.311 1
1 153 . 1 1 1 A 15 15 ARG H H 15 7.110 7.738 -0.628 1
1 154 . 1 1 1 A 15 15 ARG HA H 15 5.297 4.765 0.532 1
1 161 . 1 1 1 A 15 15 ARG CA C 15 55.163 55.740 -0.577 1
1 162 . 1 1 1 A 15 15 ARG CB C 15 31.260 30.688 0.572 1
1 165 . 1 1 1 A 15 15 ARG N N 15 121.362 118.653 2.709 1
1 166 . 1 1 1 A 16 16 VAL H H 16 8.809 9.242 -0.433 1
1 167 . 1 1 1 A 16 16 VAL HA H 16 4.450 4.388 0.062 1
1 175 . 1 1 1 A 16 16 VAL CA C 16 59.600 60.812 -1.212 1
1 176 . 1 1 1 A 16 16 VAL CB C 16 35.800 33.626 2.174 1
1 179 . 1 1 1 A 16 16 VAL N N 16 124.300 125.605 -1.305 1
1 180 . 1 1 1 A 17 17 ALA H H 17 8.009 8.082 -0.073 1
1 181 . 1 1 1 A 17 17 ALA HA H 17 4.322 3.275 1.047 1
1 185 . 1 1 1 A 17 17 ALA CA C 17 49.691 50.814 -1.123 1
1 186 . 1 1 1 A 17 17 ALA CB C 17 17.652 16.464 1.188 1
1 187 . 1 1 1 A 17 17 ALA N N 17 127.911 129.428 -1.517 1
1 188 . 1 1 1 A 18 18 CYS H H 18 8.814 8.672 0.142 1
1 189 . 1 1 1 A 18 18 CYS HA H 18 4.492 4.360 0.132 1
1 192 . 1 1 1 A 18 18 CYS CA C 18 59.650 58.337 1.313 1
1 193 . 1 1 1 A 18 18 CYS CB C 18 31.882 29.114 2.768 1
1 194 . 1 1 1 A 18 18 CYS N N 18 123.363 122.173 1.190 1
1 195 . 1 1 1 A 19 19 ASP H H 19 8.528 9.082 -0.554 1
1 196 . 1 1 1 A 19 19 ASP HA H 19 4.489 4.638 -0.149 1
1 199 . 1 1 1 A 19 19 ASP CA C 19 53.107 54.768 -1.661 1
1 200 . 1 1 1 A 19 19 ASP CB C 19 42.346 42.362 -0.016 1
1 201 . 1 1 1 A 19 19 ASP N N 19 128.758 122.352 6.406 1
1 202 . 1 1 1 A 20 20 GLY H H 20 9.037 7.142 1.895 1
1 203 . 1 1 1 A 20 20 GLY HA2 H 20 4.079 3.954 0.125 1
1 204 . 1 1 1 A 20 20 GLY HA3 H 20 3.906 4.076 -0.170 1
1 205 . 1 1 1 A 20 20 GLY CA C 20 45.894 45.528 0.366 1
1 206 . 1 1 1 A 20 20 GLY N N 20 115.047 103.092 11.955 1
1 207 . 1 1 1 A 21 21 GLY H H 21 7.336 8.762 -1.426 1
1 208 . 1 1 1 A 21 21 GLY HA2 H 21 4.246 4.201 0.045 1
1 209 . 1 1 1 A 21 21 GLY HA3 H 21 3.612 4.204 -0.592 1
1 210 . 1 1 1 A 21 21 GLY CA C 21 44.222 44.851 -0.629 1
1 211 . 1 1 1 A 21 21 GLY N N 21 109.000 110.772 -1.772 1
1 212 . 1 1 1 A 22 22 GLU H H 22 8.359 8.302 0.057 1
1 213 . 1 1 1 A 22 22 GLU HA H 22 4.192 4.315 -0.123 1
1 218 . 1 1 1 A 22 22 GLU CA C 22 56.200 55.523 0.677 1
1 219 . 1 1 1 A 22 22 GLU CB C 22 30.746 30.499 0.247 1
1 221 . 1 1 1 A 22 22 GLU N N 22 118.322 122.174 -3.852 1
1 222 . 1 1 1 A 23 23 GLY H H 23 8.809 8.412 0.397 1
1 223 . 1 1 1 A 23 23 GLY HA2 H 23 3.780 3.282 0.498 1
1 224 . 1 1 1 A 23 23 GLY HA3 H 23 3.835 3.584 0.251 1
1 225 . 1 1 1 A 23 23 GLY CA C 23 46.688 47.278 -0.590 1
1 226 . 1 1 1 A 23 23 GLY N N 23 111.934 110.789 1.145 1
1 227 . 1 1 1 A 24 24 ALA H H 24 8.995 7.878 1.117 1
1 228 . 1 1 1 A 24 24 ALA HA H 24 4.246 4.243 0.003 1
1 232 . 1 1 1 A 24 24 ALA CA C 24 53.645 52.851 0.794 1
1 233 . 1 1 1 A 24 24 ALA CB C 24 18.641 19.229 -0.588 1
1 234 . 1 1 1 A 24 24 ALA N N 24 129.183 124.402 4.781 1
1 235 . 1 1 1 A 25 25 LEU H H 25 7.780 7.867 -0.087 1
1 236 . 1 1 1 A 25 25 LEU HA H 25 4.407 4.582 -0.175 1
1 246 . 1 1 1 A 25 25 LEU CA C 25 54.551 54.179 0.372 1
1 247 . 1 1 1 A 25 25 LEU CB C 25 41.305 41.875 -0.570 1
1 251 . 1 1 1 A 25 25 LEU N N 25 116.850 116.570 0.280 1
1 252 . 1 1 1 A 26 26 GLY H H 26 7.808 7.809 -0.001 1
1 253 . 1 1 1 A 26 26 GLY HA2 H 26 4.313 3.757 0.556 1
1 254 . 1 1 1 A 26 26 GLY HA3 H 26 3.685 3.873 -0.188 1
1 255 . 1 1 1 A 26 26 GLY CA C 26 45.895 44.203 1.692 1
1 256 . 1 1 1 A 26 26 GLY N N 26 110.392 107.522 2.870 1
1 257 . 1 1 1 A 27 27 HIS H H 27 7.626 8.799 -1.173 1
1 258 . 1 1 1 A 27 27 HIS HA H 27 4.999 4.058 0.941 1
1 263 . 1 1 1 A 27 27 HIS CA C 27 53.604 56.439 -2.835 1
1 264 . 1 1 1 A 27 27 HIS CB C 27 28.333 27.083 1.250 1
1 267 . 1 1 1 A 27 27 HIS N N 27 118.046 117.284 0.762 1
1 268 . 1 1 1 A 28 28 PRO HA H 28 4.270 4.483 -0.213 1
1 275 . 1 1 1 A 28 28 PRO CA C 28 63.293 63.532 -0.239 1
1 276 . 1 1 1 A 28 28 PRO CB C 28 31.916 32.917 -1.001 1
1 279 . 1 1 1 A 29 29 ARG H H 29 8.464 7.994 0.470 1
1 280 . 1 1 1 A 29 29 ARG HA H 29 4.350 3.909 0.441 1
1 288 . 1 1 1 A 29 29 ARG CA C 29 58.043 56.920 1.123 1
1 289 . 1 1 1 A 29 29 ARG CB C 29 30.269 28.815 1.454 1
1 292 . 1 1 1 A 29 29 ARG N N 29 125.844 118.464 7.380 1
1 294 . 1 1 1 A 30 30 VAL H H 30 8.472 8.033 0.439 1
1 295 . 1 1 1 A 30 30 VAL HA H 30 4.540 5.030 -0.490 1
1 303 . 1 1 1 A 30 30 VAL CA C 30 59.500 60.041 -0.541 1
1 304 . 1 1 1 A 30 30 VAL CB C 30 35.700 35.152 0.548 1
1 307 . 1 1 1 A 30 30 VAL N N 30 125.322 118.691 6.631 1
1 308 . 1 1 1 A 31 31 TRP H H 31 8.648 9.055 -0.407 1
1 309 . 1 1 1 A 31 31 TRP HA H 31 4.864 5.665 -0.801 1
1 318 . 1 1 1 A 31 31 TRP CA C 31 56.885 55.188 1.697 1
1 319 . 1 1 1 A 31 31 TRP CB C 31 29.922 30.931 -1.009 1
1 325 . 1 1 1 A 31 31 TRP N N 31 125.162 125.819 -0.657 1
1 327 . 1 1 1 A 32 32 LEU H H 32 9.634 9.077 0.557 1
1 328 . 1 1 1 A 32 32 LEU HA H 32 4.701 5.178 -0.477 1
1 338 . 1 1 1 A 32 32 LEU CA C 32 53.078 53.132 -0.054 1
1 339 . 1 1 1 A 32 32 LEU CB C 32 44.467 43.721 0.746 1
1 343 . 1 1 1 A 32 32 LEU N N 32 125.975 125.242 0.733 1
1 344 . 1 1 1 A 33 33 GLN H H 33 8.446 8.776 -0.330 1
1 345 . 1 1 1 A 33 33 GLN HA H 33 5.027 4.742 0.285 1
1 352 . 1 1 1 A 33 33 GLN CA C 33 53.279 55.285 -2.006 1
1 353 . 1 1 1 A 33 33 GLN CB C 33 30.512 30.093 0.419 1
1 355 . 1 1 1 A 33 33 GLN N N 33 121.000 124.096 -3.096 1
1 357 . 1 1 1 A 34 34 ILE H H 34 9.377 8.952 0.425 1
1 358 . 1 1 1 A 34 34 ILE HA H 34 3.900 4.473 -0.573 1
1 368 . 1 1 1 A 34 34 ILE CA C 34 60.335 58.852 1.483 1
1 369 . 1 1 1 A 34 34 ILE CB C 34 38.613 38.224 0.389 1
1 373 . 1 1 1 A 34 34 ILE N N 34 128.325 127.739 0.586 1
1 374 . 1 1 1 A 35 35 PRO HA H 35 4.471 4.809 -0.338 1
1 381 . 1 1 1 A 35 35 PRO CA C 35 62.744 62.210 0.534 1
1 382 . 1 1 1 A 35 35 PRO CB C 35 32.282 31.795 0.487 1
1 385 . 1 1 1 A 36 36 GLU H H 36 8.971 8.650 0.321 1
1 386 . 1 1 1 A 36 36 GLU HA H 36 3.918 3.968 -0.050 1
1 391 . 1 1 1 A 36 36 GLU CA C 36 59.030 59.493 -0.463 1
1 392 . 1 1 1 A 36 36 GLU CB C 36 29.791 29.238 0.553 1
1 394 . 1 1 1 A 36 36 GLU N N 36 124.755 123.485 1.270 1
1 395 . 1 1 1 A 37 37 ASP H H 37 8.657 8.118 0.539 1
1 396 . 1 1 1 A 37 37 ASP HA H 37 4.421 4.405 0.016 1
1 399 . 1 1 1 A 37 37 ASP CA C 37 55.552 56.769 -1.217 1
1 400 . 1 1 1 A 37 37 ASP CB C 37 39.824 40.888 -1.064 1
1 401 . 1 1 1 A 37 37 ASP N N 37 114.541 119.174 -4.633 1
1 402 . 1 1 1 A 38 38 THR H H 38 7.498 7.978 -0.480 1
1 403 . 1 1 1 A 38 38 THR HA H 38 4.415 4.613 -0.198 1
1 408 . 1 1 1 A 38 38 THR CA C 38 62.748 63.354 -0.606 1
1 409 . 1 1 1 A 38 38 THR CB C 38 69.280 71.398 -2.118 1
1 411 . 1 1 1 A 38 38 THR N N 38 109.405 110.528 -1.123 1
1 412 . 1 1 1 A 39 39 GLY H H 39 7.967 8.642 -0.675 1
1 413 . 1 1 1 A 39 39 GLY HA2 H 39 4.446 3.973 0.473 1
1 414 . 1 1 1 A 39 39 GLY HA3 H 39 3.619 4.038 -0.419 1
1 415 . 1 1 1 A 39 39 GLY CA C 39 46.428 45.247 1.181 1
1 416 . 1 1 1 A 39 39 GLY N N 39 108.005 108.642 -0.637 1
1 417 . 1 1 1 A 40 40 TRP H H 40 7.442 7.103 0.339 1
1 418 . 1 1 1 A 40 40 TRP HA H 40 5.960 5.829 0.131 1
1 427 . 1 1 1 A 40 40 TRP CA C 40 54.581 55.392 -0.811 1
1 428 . 1 1 1 A 40 40 TRP CB C 40 33.231 32.724 0.507 1
1 434 . 1 1 1 A 40 40 TRP N N 40 114.404 116.529 -2.125 1
1 436 . 1 1 1 A 41 41 VAL H H 41 9.317 8.927 0.390 1
1 437 . 1 1 1 A 41 41 VAL HA H 41 4.260 4.885 -0.625 1
1 445 . 1 1 1 A 41 41 VAL CA C 41 60.900 60.516 0.384 1
1 446 . 1 1 1 A 41 41 VAL CB C 41 36.400 35.748 0.652 1
1 449 . 1 1 1 A 41 41 VAL N N 41 119.203 120.699 -1.496 1
1 450 . 1 1 1 A 42 42 GLU H H 42 8.635 9.166 -0.531 1
1 451 . 1 1 1 A 42 42 GLU HA H 42 5.559 5.128 0.431 1
1 456 . 1 1 1 A 42 42 GLU CA C 42 53.676 54.811 -1.135 1
1 457 . 1 1 1 A 42 42 GLU CB C 42 32.534 33.164 -0.630 1
1 459 . 1 1 1 A 42 42 GLU N N 42 125.457 127.097 -1.640 1
1 460 . 1 1 1 A 43 43 CYS H H 43 9.018 8.632 0.386 1
1 461 . 1 1 1 A 43 43 CYS HA H 43 4.710 5.040 -0.330 1
1 464 . 1 1 1 A 43 43 CYS CA C 43 56.955 56.168 0.787 1
1 465 . 1 1 1 A 43 43 CYS CB C 43 31.650 29.567 2.083 1
1 466 . 1 1 1 A 43 43 CYS N N 43 127.165 122.511 4.654 1
1 467 . 1 1 1 A 44 44 PRO HA H 44 4.455 4.375 0.080 1
1 474 . 1 1 1 A 44 44 PRO CA C 44 64.002 63.803 0.199 1
1 475 . 1 1 1 A 44 44 PRO CB C 44 31.979 31.618 0.361 1
1 478 . 1 1 1 A 45 45 TYR H H 45 9.205 8.024 1.181 1
1 479 . 1 1 1 A 45 45 TYR HA H 45 4.477 4.417 0.060 1
1 486 . 1 1 1 A 45 45 TYR CA C 45 59.357 60.544 -1.187 1
1 487 . 1 1 1 A 45 45 TYR CB C 45 38.009 39.536 -1.527 1
1 492 . 1 1 1 A 45 45 TYR N N 45 120.751 117.271 3.480 1
1 493 . 1 1 1 A 46 46 CYS H H 46 8.097 7.873 0.224 1
1 494 . 1 1 1 A 46 46 CYS HA H 46 5.092 4.564 0.528 1
1 497 . 1 1 1 A 46 46 CYS CA C 46 58.497 58.940 -0.443 1
1 498 . 1 1 1 A 46 46 CYS CB C 46 32.055 27.839 4.216 1
1 499 . 1 1 1 A 46 46 CYS N N 46 117.233 118.212 -0.979 1
1 500 . 1 1 1 A 47 47 ASP H H 47 7.967 7.929 0.038 1
1 501 . 1 1 1 A 47 47 ASP HA H 47 4.629 4.418 0.211 1
1 504 . 1 1 1 A 47 47 ASP CA C 47 56.076 55.492 0.584 1
1 505 . 1 1 1 A 47 47 ASP CB C 47 39.369 39.240 0.129 1
1 506 . 1 1 1 A 47 47 ASP N N 47 118.439 118.281 0.158 1
1 507 . 1 1 1 A 48 48 CYS H H 48 8.364 7.718 0.646 1
1 508 . 1 1 1 A 48 48 CYS HA H 48 4.175 4.329 -0.154 1
1 511 . 1 1 1 A 48 48 CYS CA C 48 61.629 58.313 3.316 1
1 512 . 1 1 1 A 48 48 CYS CB C 48 28.528 27.477 1.051 1
1 513 . 1 1 1 A 48 48 CYS N N 48 121.540 117.038 4.502 1
1 514 . 1 1 1 A 49 49 LYS H H 49 8.542 8.697 -0.155 1
1 515 . 1 1 1 A 49 49 LYS HA H 49 4.956 4.954 0.002 1
1 524 . 1 1 1 A 49 49 LYS CA C 49 55.388 54.801 0.587 1
1 525 . 1 1 1 A 49 49 LYS CB C 49 34.179 33.391 0.788 1
1 529 . 1 1 1 A 49 49 LYS N N 49 129.258 127.262 1.996 1
1 530 . 1 1 1 A 50 50 TYR H H 50 9.320 9.382 -0.062 1
1 531 . 1 1 1 A 50 50 TYR HA H 50 5.264 5.413 -0.149 1
1 538 . 1 1 1 A 50 50 TYR CA C 50 57.636 57.473 0.163 1
1 539 . 1 1 1 A 50 50 TYR CB C 50 40.412 39.407 1.005 1
1 544 . 1 1 1 A 50 50 TYR N N 50 125.926 127.531 -1.605 1
1 545 . 1 1 1 A 51 51 VAL H H 51 8.925 9.359 -0.434 1
1 546 . 1 1 1 A 51 51 VAL HA H 51 4.824 4.835 -0.011 1
1 554 . 1 1 1 A 51 51 VAL CA C 51 59.968 61.625 -1.657 1
1 555 . 1 1 1 A 51 51 VAL CB C 51 35.624 33.668 1.956 1
1 558 . 1 1 1 A 51 51 VAL N N 51 122.631 124.335 -1.704 1
1 559 . 1 1 1 A 52 52 LEU H H 52 8.771 8.791 -0.020 1
1 560 . 1 1 1 A 52 52 LEU HA H 52 4.496 4.600 -0.104 1
1 570 . 1 1 1 A 52 52 LEU CA C 52 54.163 55.326 -1.163 1
1 571 . 1 1 1 A 52 52 LEU CB C 52 43.220 43.077 0.143 1
1 575 . 1 1 1 A 52 52 LEU N N 52 127.249 129.932 -2.683 1
1 576 . 1 1 1 A 53 53 LYS H H 53 9.317 8.711 0.606 1
1 577 . 1 1 1 A 53 53 LYS HA H 53 4.028 3.949 0.079 1
1 586 . 1 1 1 A 53 53 LYS CA C 53 57.885 58.349 -0.464 1
1 587 . 1 1 1 A 53 53 LYS CB C 53 32.819 32.031 0.788 1
1 591 . 1 1 1 A 53 53 LYS N N 53 132.446 125.866 6.580 1
1 592 . 1 1 1 A 54 54 GLY H H 54 10.642 8.758 1.884 1
1 593 . 1 1 1 A 54 54 GLY HA2 H 54 4.195 3.933 0.262 1
1 594 . 1 1 1 A 54 54 GLY HA3 H 54 3.817 3.936 -0.119 1
1 595 . 1 1 1 A 54 54 GLY CA C 54 45.390 45.133 0.257 1
1 596 . 1 1 1 A 54 54 GLY N N 54 117.440 115.410 2.030 1
1 597 . 1 1 1 A 55 55 SER H H 55 7.996 8.033 -0.037 1
1 598 . 1 1 1 A 55 55 SER HA H 55 4.623 4.615 0.008 1
1 601 . 1 1 1 A 55 55 SER CA C 55 58.553 57.849 0.704 1
1 602 . 1 1 1 A 55 55 SER CB C 55 66.037 64.341 1.696 1
1 603 . 1 1 1 A 55 55 SER N N 55 115.895 115.295 0.600 1
1 604 . 1 1 1 A 56 56 LYS H H 56 9.018 8.969 0.049 1
1 605 . 1 1 1 A 56 56 LYS HA H 56 4.115 4.000 0.115 1
1 614 . 1 1 1 A 56 56 LYS CA C 56 58.716 59.032 -0.316 1
1 615 . 1 1 1 A 56 56 LYS CB C 56 32.311 32.423 -0.112 1
1 619 . 1 1 1 A 56 56 LYS N N 56 120.334 126.129 -5.795 1
1 620 . 1 1 1 A 57 57 ALA H H 57 7.590 7.698 -0.108 1
1 621 . 1 1 1 A 57 57 ALA HA H 57 4.318 4.252 0.066 1
1 625 . 1 1 1 A 57 57 ALA CA C 57 53.124 53.711 -0.587 1
1 626 . 1 1 1 A 57 57 ALA CB C 57 20.015 18.511 1.504 1
1 627 . 1 1 1 A 57 57 ALA N N 57 119.501 122.024 -2.523 1
1 628 . 1 1 1 A 58 58 ASP H H 58 7.588 7.964 -0.376 1
1 629 . 1 1 1 A 58 58 ASP HA H 58 4.441 4.821 -0.380 1
1 632 . 1 1 1 A 58 58 ASP CA C 58 54.193 53.080 1.113 1
1 633 . 1 1 1 A 58 58 ASP CB C 58 41.066 41.240 -0.174 1
1 634 . 1 1 1 A 58 58 ASP N N 58 120.195 118.090 2.105 1
1 635 . 1 1 1 A 59 59 ALA H H 59 7.840 8.050 -0.210 1
1 636 . 1 1 1 A 59 59 ALA HA H 59 4.188 4.444 -0.256 1
1 640 . 1 1 1 A 59 59 ALA CA C 59 53.326 51.834 1.492 1
1 641 . 1 1 1 A 59 59 ALA CB C 59 19.094 19.181 -0.087 1
1 642 . 1 1 1 A 59 59 ALA N N 59 124.358 123.187 1.171 1
1 643 . 1 1 1 A 60 60 LEU H H 60 8.078 7.451 0.627 1
1 644 . 1 1 1 A 60 60 LEU HA H 60 4.100 4.477 -0.377 1
1 654 . 1 1 1 A 60 60 LEU CA C 60 56.210 54.080 2.130 1
1 655 . 1 1 1 A 60 60 LEU CB C 60 41.973 42.932 -0.959 1
1 659 . 1 1 1 A 60 60 LEU N N 60 119.688 119.938 -0.250 1
1 660 . 1 1 1 A 61 61 GLU H H 61 8.042 8.907 -0.865 1
1 661 . 1 1 1 A 61 61 GLU HA H 61 4.072 3.950 0.122 1
1 666 . 1 1 1 A 61 61 GLU CA C 61 56.896 59.020 -2.124 1
1 667 . 1 1 1 A 61 61 GLU CB C 61 29.776 28.203 1.573 1
1 669 . 1 1 1 A 61 61 GLU N N 61 119.804 116.453 3.351 1
1 670 . 1 1 1 A 62 62 HIS H H 62 8.153 7.719 0.434 1
1 671 . 1 1 1 A 62 62 HIS HA H 62 4.610 4.904 -0.294 1
1 674 . 1 1 1 A 62 62 HIS CA C 62 56.131 55.042 1.089 1
1 675 . 1 1 1 A 62 62 HIS CB C 62 29.250 31.804 -2.554 1
1 676 . 1 1 1 A 62 62 HIS N N 62 117.955 112.696 5.259 1
1 677 . 1 1 1 A 63 63 HIS H H 63 8.324 8.835 -0.511 1
1 678 . 1 1 1 A 63 63 HIS HA H 63 4.520 4.864 -0.344 1
1 681 . 1 1 1 A 63 63 HIS CA C 63 57.194 56.459 0.735 1
1 682 . 1 1 1 A 63 63 HIS CB C 63 29.761 30.592 -0.831 1
1 1 . 2 1 1 A 2 2 THR HA H 2 3.902 4.712 -0.810 1
1 6 . 2 1 1 A 2 2 THR CA C 2 61.460 59.091 2.369 1
1 7 . 2 1 1 A 2 2 THR CB C 2 69.379 71.274 -1.895 1
1 9 . 2 1 1 A 3 3 ILE H H 3 8.671 8.896 -0.225 1
1 10 . 2 1 1 A 3 3 ILE HA H 3 4.166 4.342 -0.176 1
1 20 . 2 1 1 A 3 3 ILE CA C 3 61.569 61.838 -0.269 1
1 21 . 2 1 1 A 3 3 ILE CB C 3 38.770 39.387 -0.617 1
1 25 . 2 1 1 A 3 3 ILE N N 3 124.520 121.993 2.527 1
1 26 . 2 1 1 A 4 4 GLN H H 4 8.477 8.043 0.434 1
1 27 . 2 1 1 A 4 4 GLN HA H 4 4.291 3.917 0.374 1
1 34 . 2 1 1 A 4 4 GLN CA C 4 55.615 58.430 -2.815 1
1 35 . 2 1 1 A 4 4 GLN CB C 4 29.590 27.192 2.398 1
1 37 . 2 1 1 A 4 4 GLN N N 4 124.855 119.095 5.760 1
1 39 . 2 1 1 A 5 5 ALA H H 5 8.334 8.106 0.228 1
1 40 . 2 1 1 A 5 5 ALA HA H 5 4.568 4.048 0.520 1
1 44 . 2 1 1 A 5 5 ALA CA C 5 50.464 52.591 -2.127 1
1 45 . 2 1 1 A 5 5 ALA CB C 5 18.235 17.765 0.470 1
1 46 . 2 1 1 A 5 5 ALA N N 5 127.159 120.077 7.082 1
1 47 . 2 1 1 A 6 6 PRO HA H 6 4.429 4.500 -0.071 1
1 53 . 2 1 1 A 6 6 PRO CA C 6 63.072 62.391 0.681 1
1 54 . 2 1 1 A 6 6 PRO CB C 6 32.220 29.759 2.461 1
1 57 . 2 1 1 A 7 7 GLU H H 7 8.363 8.051 0.312 1
1 58 . 2 1 1 A 7 7 GLU HA H 7 4.280 4.222 0.058 1
1 62 . 2 1 1 A 7 7 GLU CA C 7 56.298 57.340 -1.042 1
1 63 . 2 1 1 A 7 7 GLU CB C 7 31.415 30.005 1.410 1
1 65 . 2 1 1 A 7 7 GLU N N 7 122.629 123.019 -0.390 1
1 66 . 2 1 1 A 8 8 THR H H 8 8.219 8.753 -0.534 1
1 67 . 2 1 1 A 8 8 THR HA H 8 4.948 4.784 0.164 1
1 72 . 2 1 1 A 8 8 THR CA C 8 62.157 62.783 -0.626 1
1 73 . 2 1 1 A 8 8 THR CB C 8 70.658 70.191 0.467 1
1 75 . 2 1 1 A 8 8 THR N N 8 119.082 118.479 0.603 1
1 76 . 2 1 1 A 9 9 LYS H H 9 8.885 9.064 -0.179 1
1 77 . 2 1 1 A 9 9 LYS HA H 9 4.513 5.042 -0.529 1
1 86 . 2 1 1 A 9 9 LYS CA C 9 55.062 54.682 0.380 1
1 87 . 2 1 1 A 9 9 LYS CB C 9 35.316 35.493 -0.177 1
1 91 . 2 1 1 A 9 9 LYS N N 9 128.038 126.807 1.231 1
1 92 . 2 1 1 A 10 10 ILE H H 10 8.550 8.785 -0.235 1
1 93 . 2 1 1 A 10 10 ILE HA H 10 5.029 4.607 0.422 1
1 103 . 2 1 1 A 10 10 ILE CA C 10 59.908 60.069 -0.161 1
1 104 . 2 1 1 A 10 10 ILE CB C 10 37.184 37.014 0.170 1
1 108 . 2 1 1 A 10 10 ILE N N 10 124.813 128.104 -3.291 1
1 109 . 2 1 1 A 11 11 VAL H H 11 9.253 9.208 0.045 1
1 110 . 2 1 1 A 11 11 VAL HA H 11 4.970 4.902 0.068 1
1 118 . 2 1 1 A 11 11 VAL CA C 11 59.300 59.147 0.153 1
1 119 . 2 1 1 A 11 11 VAL CB C 11 35.700 34.679 1.021 1
1 122 . 2 1 1 A 11 11 VAL N N 11 121.581 123.440 -1.859 1
1 123 . 2 1 1 A 12 12 ASP H H 12 8.471 8.682 -0.211 1
1 124 . 2 1 1 A 12 12 ASP HA H 12 4.825 4.975 -0.150 1
1 127 . 2 1 1 A 12 12 ASP CA C 12 53.836 54.175 -0.339 1
1 128 . 2 1 1 A 12 12 ASP CB C 12 41.671 41.819 -0.148 1
1 129 . 2 1 1 A 12 12 ASP N N 12 118.084 120.030 -1.946 1
1 130 . 2 1 1 A 13 13 LYS H H 13 7.170 7.524 -0.354 1
1 131 . 2 1 1 A 13 13 LYS HA H 13 4.679 4.774 -0.095 1
1 140 . 2 1 1 A 13 13 LYS CA C 13 54.180 54.982 -0.802 1
1 141 . 2 1 1 A 13 13 LYS CB C 13 35.890 35.420 0.470 1
1 145 . 2 1 1 A 13 13 LYS N N 13 117.300 118.962 -1.662 1
1 146 . 2 1 1 A 14 14 SER H H 14 8.254 8.804 -0.550 1
1 147 . 2 1 1 A 14 14 SER HA H 14 4.170 4.537 -0.367 1
1 150 . 2 1 1 A 14 14 SER CA C 14 60.024 60.240 -0.216 1
1 151 . 2 1 1 A 14 14 SER CB C 14 63.593 63.704 -0.111 1
1 152 . 2 1 1 A 14 14 SER N N 14 111.308 116.426 -5.118 1
1 153 . 2 1 1 A 15 15 ARG H H 15 7.110 7.929 -0.819 1
1 154 . 2 1 1 A 15 15 ARG HA H 15 5.297 4.975 0.322 1
1 161 . 2 1 1 A 15 15 ARG CA C 15 55.163 55.383 -0.220 1
1 162 . 2 1 1 A 15 15 ARG CB C 15 31.260 31.149 0.111 1
1 165 . 2 1 1 A 15 15 ARG N N 15 121.362 120.259 1.103 1
1 166 . 2 1 1 A 16 16 VAL H H 16 8.809 8.946 -0.137 1
1 167 . 2 1 1 A 16 16 VAL HA H 16 4.450 4.297 0.153 1
1 175 . 2 1 1 A 16 16 VAL CA C 16 59.600 60.388 -0.788 1
1 176 . 2 1 1 A 16 16 VAL CB C 16 35.800 34.356 1.444 1
1 179 . 2 1 1 A 16 16 VAL N N 16 124.300 124.743 -0.443 1
1 180 . 2 1 1 A 17 17 ALA H H 17 8.009 7.902 0.107 1
1 181 . 2 1 1 A 17 17 ALA HA H 17 4.322 3.275 1.047 1
1 185 . 2 1 1 A 17 17 ALA CA C 17 49.691 51.581 -1.890 1
1 186 . 2 1 1 A 17 17 ALA CB C 17 17.652 18.116 -0.464 1
1 187 . 2 1 1 A 17 17 ALA N N 17 127.911 128.762 -0.851 1
1 188 . 2 1 1 A 18 18 CYS H H 18 8.814 8.525 0.289 1
1 189 . 2 1 1 A 18 18 CYS HA H 18 4.492 4.744 -0.252 1
1 192 . 2 1 1 A 18 18 CYS CA C 18 59.650 57.455 2.195 1
1 193 . 2 1 1 A 18 18 CYS CB C 18 31.882 27.719 4.163 1
1 194 . 2 1 1 A 18 18 CYS N N 18 123.363 120.367 2.996 1
1 195 . 2 1 1 A 19 19 ASP H H 19 8.528 8.828 -0.300 1
1 196 . 2 1 1 A 19 19 ASP HA H 19 4.489 4.469 0.020 1
1 199 . 2 1 1 A 19 19 ASP CA C 19 53.107 56.832 -3.725 1
1 200 . 2 1 1 A 19 19 ASP CB C 19 42.346 41.020 1.326 1
1 201 . 2 1 1 A 19 19 ASP N N 19 128.758 126.280 2.478 1
1 202 . 2 1 1 A 20 20 GLY H H 20 9.037 7.408 1.629 1
1 203 . 2 1 1 A 20 20 GLY HA2 H 20 4.079 4.012 0.067 1
1 204 . 2 1 1 A 20 20 GLY HA3 H 20 3.906 4.162 -0.256 1
1 205 . 2 1 1 A 20 20 GLY CA C 20 45.894 45.407 0.487 1
1 206 . 2 1 1 A 20 20 GLY N N 20 115.047 103.030 12.017 1
1 207 . 2 1 1 A 21 21 GLY H H 21 7.336 8.361 -1.025 1
1 208 . 2 1 1 A 21 21 GLY HA2 H 21 4.246 4.032 0.214 1
1 209 . 2 1 1 A 21 21 GLY HA3 H 21 3.612 4.032 -0.420 1
1 210 . 2 1 1 A 21 21 GLY CA C 21 44.222 44.936 -0.714 1
1 211 . 2 1 1 A 21 21 GLY N N 21 109.000 109.929 -0.929 1
1 212 . 2 1 1 A 22 22 GLU H H 22 8.359 8.279 0.080 1
1 213 . 2 1 1 A 22 22 GLU HA H 22 4.192 4.334 -0.142 1
1 218 . 2 1 1 A 22 22 GLU CA C 22 56.200 55.955 0.245 1
1 219 . 2 1 1 A 22 22 GLU CB C 22 30.746 30.734 0.012 1
1 221 . 2 1 1 A 22 22 GLU N N 22 118.322 122.161 -3.839 1
1 222 . 2 1 1 A 23 23 GLY H H 23 8.809 8.610 0.199 1
1 223 . 2 1 1 A 23 23 GLY HA2 H 23 3.780 3.725 0.055 1
1 224 . 2 1 1 A 23 23 GLY HA3 H 23 3.835 3.736 0.099 1
1 225 . 2 1 1 A 23 23 GLY CA C 23 46.688 47.264 -0.576 1
1 226 . 2 1 1 A 23 23 GLY N N 23 111.934 111.095 0.839 1
1 227 . 2 1 1 A 24 24 ALA H H 24 8.995 7.955 1.040 1
1 228 . 2 1 1 A 24 24 ALA HA H 24 4.246 3.990 0.256 1
1 232 . 2 1 1 A 24 24 ALA CA C 24 53.645 54.477 -0.832 1
1 233 . 2 1 1 A 24 24 ALA CB C 24 18.641 18.484 0.157 1
1 234 . 2 1 1 A 24 24 ALA N N 24 129.183 124.670 4.513 1
1 235 . 2 1 1 A 25 25 LEU H H 25 7.780 7.359 0.421 1
1 236 . 2 1 1 A 25 25 LEU HA H 25 4.407 4.139 0.268 1
1 246 . 2 1 1 A 25 25 LEU CA C 25 54.551 54.503 0.048 1
1 247 . 2 1 1 A 25 25 LEU CB C 25 41.305 41.444 -0.139 1
1 251 . 2 1 1 A 25 25 LEU N N 25 116.850 115.128 1.722 1
1 252 . 2 1 1 A 26 26 GLY H H 26 7.808 7.762 0.046 1
1 253 . 2 1 1 A 26 26 GLY HA2 H 26 4.313 3.760 0.553 1
1 254 . 2 1 1 A 26 26 GLY HA3 H 26 3.685 3.811 -0.126 1
1 255 . 2 1 1 A 26 26 GLY CA C 26 45.895 45.506 0.389 1
1 256 . 2 1 1 A 26 26 GLY N N 26 110.392 107.506 2.886 1
1 257 . 2 1 1 A 27 27 HIS H H 27 7.626 8.575 -0.949 1
1 258 . 2 1 1 A 27 27 HIS HA H 27 4.999 4.720 0.279 1
1 263 . 2 1 1 A 27 27 HIS CA C 27 53.604 54.284 -0.680 1
1 264 . 2 1 1 A 27 27 HIS CB C 27 28.333 30.318 -1.985 1
1 267 . 2 1 1 A 27 27 HIS N N 27 118.046 123.856 -5.810 1
1 268 . 2 1 1 A 28 28 PRO HA H 28 4.270 4.365 -0.095 1
1 275 . 2 1 1 A 28 28 PRO CA C 28 63.293 65.416 -2.123 1
1 276 . 2 1 1 A 28 28 PRO CB C 28 31.916 31.792 0.124 1
1 279 . 2 1 1 A 29 29 ARG H H 29 8.464 7.654 0.810 1
1 280 . 2 1 1 A 29 29 ARG HA H 29 4.350 4.698 -0.348 1
1 288 . 2 1 1 A 29 29 ARG CA C 29 58.043 56.058 1.985 1
1 289 . 2 1 1 A 29 29 ARG CB C 29 30.269 31.701 -1.432 1
1 292 . 2 1 1 A 29 29 ARG N N 29 125.844 115.124 10.720 1
1 294 . 2 1 1 A 30 30 VAL H H 30 8.472 8.967 -0.495 1
1 295 . 2 1 1 A 30 30 VAL HA H 30 4.540 5.190 -0.650 1
1 303 . 2 1 1 A 30 30 VAL CA C 30 59.500 59.936 -0.436 1
1 304 . 2 1 1 A 30 30 VAL CB C 30 35.700 34.783 0.917 1
1 307 . 2 1 1 A 30 30 VAL N N 30 125.322 122.303 3.019 1
1 308 . 2 1 1 A 31 31 TRP H H 31 8.648 9.277 -0.629 1
1 309 . 2 1 1 A 31 31 TRP HA H 31 4.864 5.578 -0.714 1
1 318 . 2 1 1 A 31 31 TRP CA C 31 56.885 54.650 2.235 1
1 319 . 2 1 1 A 31 31 TRP CB C 31 29.922 32.364 -2.442 1
1 325 . 2 1 1 A 31 31 TRP N N 31 125.162 125.111 0.051 1
1 327 . 2 1 1 A 32 32 LEU H H 32 9.634 9.049 0.585 1
1 328 . 2 1 1 A 32 32 LEU HA H 32 4.701 4.860 -0.159 1
1 338 . 2 1 1 A 32 32 LEU CA C 32 53.078 53.660 -0.582 1
1 339 . 2 1 1 A 32 32 LEU CB C 32 44.467 43.184 1.283 1
1 343 . 2 1 1 A 32 32 LEU N N 32 125.975 124.683 1.292 1
1 344 . 2 1 1 A 33 33 GLN H H 33 8.446 8.774 -0.328 1
1 345 . 2 1 1 A 33 33 GLN HA H 33 5.027 4.940 0.087 1
1 352 . 2 1 1 A 33 33 GLN CA C 33 53.279 54.500 -1.221 1
1 353 . 2 1 1 A 33 33 GLN CB C 33 30.512 30.199 0.313 1
1 355 . 2 1 1 A 33 33 GLN N N 33 121.000 121.808 -0.808 1
1 357 . 2 1 1 A 34 34 ILE H H 34 9.377 8.905 0.472 1
1 358 . 2 1 1 A 34 34 ILE HA H 34 3.900 4.340 -0.440 1
1 368 . 2 1 1 A 34 34 ILE CA C 34 60.335 59.910 0.425 1
1 369 . 2 1 1 A 34 34 ILE CB C 34 38.613 38.460 0.153 1
1 373 . 2 1 1 A 34 34 ILE N N 34 128.325 127.218 1.107 1
1 374 . 2 1 1 A 35 35 PRO HA H 35 4.471 4.827 -0.356 1
1 381 . 2 1 1 A 35 35 PRO CA C 35 62.744 62.240 0.504 1
1 382 . 2 1 1 A 35 35 PRO CB C 35 32.282 32.135 0.147 1
1 385 . 2 1 1 A 36 36 GLU H H 36 8.971 8.669 0.302 1
1 386 . 2 1 1 A 36 36 GLU HA H 36 3.918 3.966 -0.048 1
1 391 . 2 1 1 A 36 36 GLU CA C 36 59.030 59.613 -0.583 1
1 392 . 2 1 1 A 36 36 GLU CB C 36 29.791 29.375 0.416 1
1 394 . 2 1 1 A 36 36 GLU N N 36 124.755 123.663 1.092 1
1 395 . 2 1 1 A 37 37 ASP H H 37 8.657 7.981 0.676 1
1 396 . 2 1 1 A 37 37 ASP HA H 37 4.421 4.403 0.018 1
1 399 . 2 1 1 A 37 37 ASP CA C 37 55.552 57.091 -1.539 1
1 400 . 2 1 1 A 37 37 ASP CB C 37 39.824 40.901 -1.077 1
1 401 . 2 1 1 A 37 37 ASP N N 37 114.541 119.709 -5.168 1
1 402 . 2 1 1 A 38 38 THR H H 38 7.498 7.662 -0.164 1
1 403 . 2 1 1 A 38 38 THR HA H 38 4.415 4.546 -0.131 1
1 408 . 2 1 1 A 38 38 THR CA C 38 62.748 62.426 0.322 1
1 409 . 2 1 1 A 38 38 THR CB C 38 69.280 70.955 -1.675 1
1 411 . 2 1 1 A 38 38 THR N N 38 109.405 107.118 2.287 1
1 412 . 2 1 1 A 39 39 GLY H H 39 7.967 8.811 -0.844 1
1 413 . 2 1 1 A 39 39 GLY HA2 H 39 4.446 3.928 0.518 1
1 414 . 2 1 1 A 39 39 GLY HA3 H 39 3.619 3.992 -0.373 1
1 415 . 2 1 1 A 39 39 GLY CA C 39 46.428 45.392 1.036 1
1 416 . 2 1 1 A 39 39 GLY N N 39 108.005 110.797 -2.792 1
1 417 . 2 1 1 A 40 40 TRP H H 40 7.442 7.051 0.391 1
1 418 . 2 1 1 A 40 40 TRP HA H 40 5.960 5.565 0.395 1
1 427 . 2 1 1 A 40 40 TRP CA C 40 54.581 55.480 -0.899 1
1 428 . 2 1 1 A 40 40 TRP CB C 40 33.231 31.619 1.612 1
1 434 . 2 1 1 A 40 40 TRP N N 40 114.404 116.794 -2.390 1
1 436 . 2 1 1 A 41 41 VAL H H 41 9.317 9.106 0.211 1
1 437 . 2 1 1 A 41 41 VAL HA H 41 4.260 4.457 -0.197 1
1 445 . 2 1 1 A 41 41 VAL CA C 41 60.900 60.433 0.467 1
1 446 . 2 1 1 A 41 41 VAL CB C 41 36.400 35.376 1.024 1
1 449 . 2 1 1 A 41 41 VAL N N 41 119.203 121.009 -1.806 1
1 450 . 2 1 1 A 42 42 GLU H H 42 8.635 8.798 -0.163 1
1 451 . 2 1 1 A 42 42 GLU HA H 42 5.559 4.923 0.636 1
1 456 . 2 1 1 A 42 42 GLU CA C 42 53.676 55.879 -2.203 1
1 457 . 2 1 1 A 42 42 GLU CB C 42 32.534 31.051 1.483 1
1 459 . 2 1 1 A 42 42 GLU N N 42 125.457 126.890 -1.433 1
1 460 . 2 1 1 A 43 43 CYS H H 43 9.018 8.583 0.435 1
1 461 . 2 1 1 A 43 43 CYS HA H 43 4.710 4.636 0.074 1
1 464 . 2 1 1 A 43 43 CYS CA C 43 56.955 57.539 -0.584 1
1 465 . 2 1 1 A 43 43 CYS CB C 43 31.650 28.306 3.344 1
1 466 . 2 1 1 A 43 43 CYS N N 43 127.165 123.134 4.031 1
1 467 . 2 1 1 A 44 44 PRO HA H 44 4.455 4.415 0.040 1
1 474 . 2 1 1 A 44 44 PRO CA C 44 64.002 63.651 0.351 1
1 475 . 2 1 1 A 44 44 PRO CB C 44 31.979 31.807 0.172 1
1 478 . 2 1 1 A 45 45 TYR H H 45 9.205 7.730 1.475 1
1 479 . 2 1 1 A 45 45 TYR HA H 45 4.477 4.511 -0.034 1
1 486 . 2 1 1 A 45 45 TYR CA C 45 59.357 59.828 -0.471 1
1 487 . 2 1 1 A 45 45 TYR CB C 45 38.009 39.174 -1.165 1
1 492 . 2 1 1 A 45 45 TYR N N 45 120.751 116.607 4.144 1
1 493 . 2 1 1 A 46 46 CYS H H 46 8.097 8.135 -0.038 1
1 494 . 2 1 1 A 46 46 CYS HA H 46 5.092 4.833 0.259 1
1 497 . 2 1 1 A 46 46 CYS CA C 46 58.497 58.446 0.051 1
1 498 . 2 1 1 A 46 46 CYS CB C 46 32.055 29.238 2.817 1
1 499 . 2 1 1 A 46 46 CYS N N 46 117.233 115.130 2.103 1
1 500 . 2 1 1 A 47 47 ASP H H 47 7.967 8.444 -0.477 1
1 501 . 2 1 1 A 47 47 ASP HA H 47 4.629 4.662 -0.033 1
1 504 . 2 1 1 A 47 47 ASP CA C 47 56.076 55.913 0.163 1
1 505 . 2 1 1 A 47 47 ASP CB C 47 39.369 40.857 -1.488 1
1 506 . 2 1 1 A 47 47 ASP N N 47 118.439 121.340 -2.901 1
1 507 . 2 1 1 A 48 48 CYS H H 48 8.364 7.677 0.687 1
1 508 . 2 1 1 A 48 48 CYS HA H 48 4.175 4.683 -0.508 1
1 511 . 2 1 1 A 48 48 CYS CA C 48 61.629 57.947 3.682 1
1 512 . 2 1 1 A 48 48 CYS CB C 48 28.528 32.079 -3.551 1
1 513 . 2 1 1 A 48 48 CYS N N 48 121.540 113.747 7.793 1
1 514 . 2 1 1 A 49 49 LYS H H 49 8.542 8.623 -0.081 1
1 515 . 2 1 1 A 49 49 LYS HA H 49 4.956 4.802 0.154 1
1 524 . 2 1 1 A 49 49 LYS CA C 49 55.388 54.622 0.766 1
1 525 . 2 1 1 A 49 49 LYS CB C 49 34.179 34.630 -0.451 1
1 529 . 2 1 1 A 49 49 LYS N N 49 129.258 122.432 6.826 1
1 530 . 2 1 1 A 50 50 TYR H H 50 9.320 9.216 0.104 1
1 531 . 2 1 1 A 50 50 TYR HA H 50 5.264 5.284 -0.020 1
1 538 . 2 1 1 A 50 50 TYR CA C 50 57.636 57.159 0.477 1
1 539 . 2 1 1 A 50 50 TYR CB C 50 40.412 39.831 0.581 1
1 544 . 2 1 1 A 50 50 TYR N N 50 125.926 126.984 -1.058 1
1 545 . 2 1 1 A 51 51 VAL H H 51 8.925 9.398 -0.473 1
1 546 . 2 1 1 A 51 51 VAL HA H 51 4.824 4.776 0.048 1
1 554 . 2 1 1 A 51 51 VAL CA C 51 59.968 61.417 -1.449 1
1 555 . 2 1 1 A 51 51 VAL CB C 51 35.624 34.141 1.483 1
1 558 . 2 1 1 A 51 51 VAL N N 51 122.631 123.978 -1.347 1
1 559 . 2 1 1 A 52 52 LEU H H 52 8.771 8.863 -0.092 1
1 560 . 2 1 1 A 52 52 LEU HA H 52 4.496 4.854 -0.358 1
1 570 . 2 1 1 A 52 52 LEU CA C 52 54.163 54.071 0.092 1
1 571 . 2 1 1 A 52 52 LEU CB C 52 43.220 43.526 -0.306 1
1 575 . 2 1 1 A 52 52 LEU N N 52 127.249 129.663 -2.414 1
1 576 . 2 1 1 A 53 53 LYS H H 53 9.317 9.023 0.294 1
1 577 . 2 1 1 A 53 53 LYS HA H 53 4.028 3.924 0.104 1
1 586 . 2 1 1 A 53 53 LYS CA C 53 57.885 58.223 -0.338 1
1 587 . 2 1 1 A 53 53 LYS CB C 53 32.819 32.018 0.801 1
1 591 . 2 1 1 A 53 53 LYS N N 53 132.446 127.047 5.399 1
1 592 . 2 1 1 A 54 54 GLY H H 54 10.642 8.812 1.830 1
1 593 . 2 1 1 A 54 54 GLY HA2 H 54 4.195 3.938 0.257 1
1 594 . 2 1 1 A 54 54 GLY HA3 H 54 3.817 3.939 -0.122 1
1 595 . 2 1 1 A 54 54 GLY CA C 54 45.390 45.497 -0.107 1
1 596 . 2 1 1 A 54 54 GLY N N 54 117.440 115.043 2.397 1
1 597 . 2 1 1 A 55 55 SER H H 55 7.996 7.502 0.494 1
1 598 . 2 1 1 A 55 55 SER HA H 55 4.623 4.860 -0.237 1
1 601 . 2 1 1 A 55 55 SER CA C 55 58.553 56.205 2.348 1
1 602 . 2 1 1 A 55 55 SER CB C 55 66.037 65.718 0.319 1
1 603 . 2 1 1 A 55 55 SER N N 55 115.895 115.360 0.535 1
1 604 . 2 1 1 A 56 56 LYS H H 56 9.018 8.867 0.151 1
1 605 . 2 1 1 A 56 56 LYS HA H 56 4.115 3.977 0.138 1
1 614 . 2 1 1 A 56 56 LYS CA C 56 58.716 60.461 -1.745 1
1 615 . 2 1 1 A 56 56 LYS CB C 56 32.311 32.101 0.210 1
1 619 . 2 1 1 A 56 56 LYS N N 56 120.334 125.655 -5.321 1
1 620 . 2 1 1 A 57 57 ALA H H 57 7.590 7.982 -0.392 1
1 621 . 2 1 1 A 57 57 ALA HA H 57 4.318 4.271 0.047 1
1 625 . 2 1 1 A 57 57 ALA CA C 57 53.124 53.209 -0.085 1
1 626 . 2 1 1 A 57 57 ALA CB C 57 20.015 19.112 0.903 1
1 627 . 2 1 1 A 57 57 ALA N N 57 119.501 120.551 -1.050 1
1 628 . 2 1 1 A 58 58 ASP H H 58 7.588 7.617 -0.029 1
1 629 . 2 1 1 A 58 58 ASP HA H 58 4.441 4.622 -0.181 1
1 632 . 2 1 1 A 58 58 ASP CA C 58 54.193 53.776 0.417 1
1 633 . 2 1 1 A 58 58 ASP CB C 58 41.066 39.986 1.080 1
1 634 . 2 1 1 A 58 58 ASP N N 58 120.195 118.558 1.637 1
1 635 . 2 1 1 A 59 59 ALA H H 59 7.840 8.114 -0.274 1
1 636 . 2 1 1 A 59 59 ALA HA H 59 4.188 4.611 -0.423 1
1 640 . 2 1 1 A 59 59 ALA CA C 59 53.326 51.399 1.927 1
1 641 . 2 1 1 A 59 59 ALA CB C 59 19.094 20.146 -1.052 1
1 642 . 2 1 1 A 59 59 ALA N N 59 124.358 127.139 -2.781 1
1 643 . 2 1 1 A 60 60 LEU H H 60 8.078 7.815 0.263 1
1 644 . 2 1 1 A 60 60 LEU HA H 60 4.100 4.383 -0.283 1
1 654 . 2 1 1 A 60 60 LEU CA C 60 56.210 53.604 2.606 1
1 655 . 2 1 1 A 60 60 LEU CB C 60 41.973 42.227 -0.254 1
1 659 . 2 1 1 A 60 60 LEU N N 60 119.688 115.258 4.430 1
1 660 . 2 1 1 A 61 61 GLU H H 61 8.042 7.457 0.585 1
1 661 . 2 1 1 A 61 61 GLU HA H 61 4.072 4.147 -0.075 1
1 666 . 2 1 1 A 61 61 GLU CA C 61 56.896 56.563 0.333 1
1 667 . 2 1 1 A 61 61 GLU CB C 61 29.776 29.681 0.095 1
1 669 . 2 1 1 A 61 61 GLU N N 61 119.804 120.166 -0.362 1
1 670 . 2 1 1 A 62 62 HIS H H 62 8.153 8.672 -0.519 1
1 671 . 2 1 1 A 62 62 HIS HA H 62 4.610 5.076 -0.466 1
1 674 . 2 1 1 A 62 62 HIS CA C 62 56.131 54.934 1.197 1
1 675 . 2 1 1 A 62 62 HIS CB C 62 29.250 30.739 -1.489 1
1 676 . 2 1 1 A 62 62 HIS N N 62 117.955 122.855 -4.900 1
1 677 . 2 1 1 A 63 63 HIS H H 63 8.324 9.113 -0.789 1
1 678 . 2 1 1 A 63 63 HIS HA H 63 4.520 4.639 -0.119 1
1 681 . 2 1 1 A 63 63 HIS CA C 63 57.194 54.564 2.630 1
1 682 . 2 1 1 A 63 63 HIS CB C 63 29.761 27.403 2.358 1
1 1 . 3 1 1 A 2 2 THR HA H 2 3.902 4.512 -0.610 1
1 6 . 3 1 1 A 2 2 THR CA C 2 61.460 61.373 0.087 1
1 7 . 3 1 1 A 2 2 THR CB C 2 69.379 69.485 -0.106 1
1 9 . 3 1 1 A 3 3 ILE H H 3 8.671 8.208 0.463 1
1 10 . 3 1 1 A 3 3 ILE HA H 3 4.166 3.776 0.390 1
1 20 . 3 1 1 A 3 3 ILE CA C 3 61.569 63.251 -1.682 1
1 21 . 3 1 1 A 3 3 ILE CB C 3 38.770 36.096 2.674 1
1 25 . 3 1 1 A 3 3 ILE N N 3 124.520 118.215 6.305 1
1 26 . 3 1 1 A 4 4 GLN H H 4 8.477 8.377 0.100 1
1 27 . 3 1 1 A 4 4 GLN HA H 4 4.291 4.018 0.273 1
1 34 . 3 1 1 A 4 4 GLN CA C 4 55.615 57.422 -1.807 1
1 35 . 3 1 1 A 4 4 GLN CB C 4 29.590 26.786 2.804 1
1 37 . 3 1 1 A 4 4 GLN N N 4 124.855 117.715 7.140 1
1 39 . 3 1 1 A 5 5 ALA H H 5 8.334 7.781 0.553 1
1 40 . 3 1 1 A 5 5 ALA HA H 5 4.568 4.672 -0.104 1
1 44 . 3 1 1 A 5 5 ALA CA C 5 50.464 49.835 0.629 1
1 45 . 3 1 1 A 5 5 ALA CB C 5 18.235 19.294 -1.059 1
1 46 . 3 1 1 A 5 5 ALA N N 5 127.159 119.899 7.260 1
1 47 . 3 1 1 A 6 6 PRO HA H 6 4.429 4.365 0.064 1
1 53 . 3 1 1 A 6 6 PRO CA C 6 63.072 63.027 0.045 1
1 54 . 3 1 1 A 6 6 PRO CB C 6 32.220 30.823 1.397 1
1 57 . 3 1 1 A 7 7 GLU H H 7 8.363 8.547 -0.184 1
1 58 . 3 1 1 A 7 7 GLU HA H 7 4.280 3.926 0.354 1
1 62 . 3 1 1 A 7 7 GLU CA C 7 56.298 57.923 -1.625 1
1 63 . 3 1 1 A 7 7 GLU CB C 7 31.415 29.348 2.067 1
1 65 . 3 1 1 A 7 7 GLU N N 7 122.629 121.495 1.134 1
1 66 . 3 1 1 A 8 8 THR H H 8 8.219 7.302 0.917 1
1 67 . 3 1 1 A 8 8 THR HA H 8 4.948 4.765 0.183 1
1 72 . 3 1 1 A 8 8 THR CA C 8 62.157 61.671 0.486 1
1 73 . 3 1 1 A 8 8 THR CB C 8 70.658 70.164 0.494 1
1 75 . 3 1 1 A 8 8 THR N N 8 119.082 113.848 5.234 1
1 76 . 3 1 1 A 9 9 LYS H H 9 8.885 9.315 -0.430 1
1 77 . 3 1 1 A 9 9 LYS HA H 9 4.513 4.874 -0.361 1
1 86 . 3 1 1 A 9 9 LYS CA C 9 55.062 55.059 0.003 1
1 87 . 3 1 1 A 9 9 LYS CB C 9 35.316 34.302 1.014 1
1 91 . 3 1 1 A 9 9 LYS N N 9 128.038 127.616 0.422 1
1 92 . 3 1 1 A 10 10 ILE H H 10 8.550 8.716 -0.166 1
1 93 . 3 1 1 A 10 10 ILE HA H 10 5.029 4.534 0.495 1
1 103 . 3 1 1 A 10 10 ILE CA C 10 59.908 60.899 -0.991 1
1 104 . 3 1 1 A 10 10 ILE CB C 10 37.184 36.972 0.212 1
1 108 . 3 1 1 A 10 10 ILE N N 10 124.813 128.542 -3.729 1
1 109 . 3 1 1 A 11 11 VAL H H 11 9.253 8.709 0.544 1
1 110 . 3 1 1 A 11 11 VAL HA H 11 4.970 4.955 0.015 1
1 118 . 3 1 1 A 11 11 VAL CA C 11 59.300 59.474 -0.174 1
1 119 . 3 1 1 A 11 11 VAL CB C 11 35.700 34.720 0.980 1
1 122 . 3 1 1 A 11 11 VAL N N 11 121.581 125.693 -4.112 1
1 123 . 3 1 1 A 12 12 ASP H H 12 8.471 8.752 -0.281 1
1 124 . 3 1 1 A 12 12 ASP HA H 12 4.825 4.847 -0.022 1
1 127 . 3 1 1 A 12 12 ASP CA C 12 53.836 53.897 -0.061 1
1 128 . 3 1 1 A 12 12 ASP CB C 12 41.671 42.014 -0.343 1
1 129 . 3 1 1 A 12 12 ASP N N 12 118.084 120.300 -2.216 1
1 130 . 3 1 1 A 13 13 LYS H H 13 7.170 7.438 -0.268 1
1 131 . 3 1 1 A 13 13 LYS HA H 13 4.679 4.729 -0.050 1
1 140 . 3 1 1 A 13 13 LYS CA C 13 54.180 54.447 -0.267 1
1 141 . 3 1 1 A 13 13 LYS CB C 13 35.890 35.953 -0.063 1
1 145 . 3 1 1 A 13 13 LYS N N 13 117.300 119.420 -2.120 1
1 146 . 3 1 1 A 14 14 SER H H 14 8.254 8.710 -0.456 1
1 147 . 3 1 1 A 14 14 SER HA H 14 4.170 4.520 -0.350 1
1 150 . 3 1 1 A 14 14 SER CA C 14 60.024 60.534 -0.510 1
1 151 . 3 1 1 A 14 14 SER CB C 14 63.593 64.067 -0.474 1
1 152 . 3 1 1 A 14 14 SER N N 14 111.308 115.570 -4.262 1
1 153 . 3 1 1 A 15 15 ARG H H 15 7.110 7.653 -0.543 1
1 154 . 3 1 1 A 15 15 ARG HA H 15 5.297 4.611 0.686 1
1 161 . 3 1 1 A 15 15 ARG CA C 15 55.163 55.556 -0.393 1
1 162 . 3 1 1 A 15 15 ARG CB C 15 31.260 31.477 -0.217 1
1 165 . 3 1 1 A 15 15 ARG N N 15 121.362 121.417 -0.055 1
1 166 . 3 1 1 A 16 16 VAL H H 16 8.809 8.353 0.456 1
1 167 . 3 1 1 A 16 16 VAL HA H 16 4.450 4.408 0.042 1
1 175 . 3 1 1 A 16 16 VAL CA C 16 59.600 60.388 -0.788 1
1 176 . 3 1 1 A 16 16 VAL CB C 16 35.800 35.413 0.387 1
1 179 . 3 1 1 A 16 16 VAL N N 16 124.300 127.046 -2.746 1
1 180 . 3 1 1 A 17 17 ALA H H 17 8.009 8.195 -0.186 1
1 181 . 3 1 1 A 17 17 ALA HA H 17 4.322 3.953 0.369 1
1 185 . 3 1 1 A 17 17 ALA CA C 17 49.691 51.204 -1.513 1
1 186 . 3 1 1 A 17 17 ALA CB C 17 17.652 18.283 -0.631 1
1 187 . 3 1 1 A 17 17 ALA N N 17 127.911 129.092 -1.181 1
1 188 . 3 1 1 A 18 18 CYS H H 18 8.814 8.463 0.351 1
1 189 . 3 1 1 A 18 18 CYS HA H 18 4.492 4.628 -0.136 1
1 192 . 3 1 1 A 18 18 CYS CA C 18 59.650 57.480 2.170 1
1 193 . 3 1 1 A 18 18 CYS CB C 18 31.882 29.791 2.091 1
1 194 . 3 1 1 A 18 18 CYS N N 18 123.363 121.254 2.109 1
1 195 . 3 1 1 A 19 19 ASP H H 19 8.528 8.755 -0.227 1
1 196 . 3 1 1 A 19 19 ASP HA H 19 4.489 4.056 0.433 1
1 199 . 3 1 1 A 19 19 ASP CA C 19 53.107 55.299 -2.192 1
1 200 . 3 1 1 A 19 19 ASP CB C 19 42.346 39.456 2.890 1
1 201 . 3 1 1 A 19 19 ASP N N 19 128.758 117.864 10.894 1
1 202 . 3 1 1 A 20 20 GLY H H 20 9.037 7.339 1.698 1
1 203 . 3 1 1 A 20 20 GLY HA2 H 20 4.079 3.873 0.206 1
1 204 . 3 1 1 A 20 20 GLY HA3 H 20 3.906 3.926 -0.020 1
1 205 . 3 1 1 A 20 20 GLY CA C 20 45.894 45.404 0.490 1
1 206 . 3 1 1 A 20 20 GLY N N 20 115.047 106.415 8.632 1
1 207 . 3 1 1 A 21 21 GLY H H 21 7.336 8.465 -1.129 1
1 208 . 3 1 1 A 21 21 GLY HA2 H 21 4.246 4.063 0.183 1
1 209 . 3 1 1 A 21 21 GLY HA3 H 21 3.612 4.069 -0.457 1
1 210 . 3 1 1 A 21 21 GLY CA C 21 44.222 45.416 -1.194 1
1 211 . 3 1 1 A 21 21 GLY N N 21 109.000 107.158 1.842 1
1 212 . 3 1 1 A 22 22 GLU H H 22 8.359 7.821 0.538 1
1 213 . 3 1 1 A 22 22 GLU HA H 22 4.192 4.687 -0.495 1
1 218 . 3 1 1 A 22 22 GLU CA C 22 56.200 54.233 1.967 1
1 219 . 3 1 1 A 22 22 GLU CB C 22 30.746 30.651 0.095 1
1 221 . 3 1 1 A 22 22 GLU N N 22 118.322 118.837 -0.515 1
1 222 . 3 1 1 A 23 23 GLY H H 23 8.809 8.668 0.141 1
1 223 . 3 1 1 A 23 23 GLY HA2 H 23 3.780 3.783 -0.003 1
1 224 . 3 1 1 A 23 23 GLY HA3 H 23 3.835 3.785 0.050 1
1 225 . 3 1 1 A 23 23 GLY CA C 23 46.688 47.455 -0.767 1
1 226 . 3 1 1 A 23 23 GLY N N 23 111.934 107.367 4.567 1
1 227 . 3 1 1 A 24 24 ALA H H 24 8.995 7.636 1.359 1
1 228 . 3 1 1 A 24 24 ALA HA H 24 4.246 4.439 -0.193 1
1 232 . 3 1 1 A 24 24 ALA CA C 24 53.645 51.383 2.262 1
1 233 . 3 1 1 A 24 24 ALA CB C 24 18.641 18.183 0.458 1
1 234 . 3 1 1 A 24 24 ALA N N 24 129.183 121.705 7.478 1
1 235 . 3 1 1 A 25 25 LEU H H 25 7.780 8.557 -0.777 1
1 236 . 3 1 1 A 25 25 LEU HA H 25 4.407 3.955 0.452 1
1 246 . 3 1 1 A 25 25 LEU CA C 25 54.551 56.166 -1.615 1
1 247 . 3 1 1 A 25 25 LEU CB C 25 41.305 40.020 1.285 1
1 251 . 3 1 1 A 25 25 LEU N N 25 116.850 115.427 1.423 1
1 252 . 3 1 1 A 26 26 GLY H H 26 7.808 8.775 -0.967 1
1 253 . 3 1 1 A 26 26 GLY HA2 H 26 4.313 3.810 0.503 1
1 254 . 3 1 1 A 26 26 GLY HA3 H 26 3.685 3.907 -0.222 1
1 255 . 3 1 1 A 26 26 GLY CA C 26 45.895 47.397 -1.502 1
1 256 . 3 1 1 A 26 26 GLY N N 26 110.392 105.019 5.373 1
1 257 . 3 1 1 A 27 27 HIS H H 27 7.626 8.205 -0.579 1
1 258 . 3 1 1 A 27 27 HIS HA H 27 4.999 4.620 0.379 1
1 263 . 3 1 1 A 27 27 HIS CA C 27 53.604 54.501 -0.897 1
1 264 . 3 1 1 A 27 27 HIS CB C 27 28.333 30.181 -1.848 1
1 267 . 3 1 1 A 27 27 HIS N N 27 118.046 123.272 -5.226 1
1 268 . 3 1 1 A 28 28 PRO HA H 28 4.270 4.219 0.051 1
1 275 . 3 1 1 A 28 28 PRO CA C 28 63.293 65.474 -2.181 1
1 276 . 3 1 1 A 28 28 PRO CB C 28 31.916 31.470 0.446 1
1 279 . 3 1 1 A 29 29 ARG H H 29 8.464 7.653 0.811 1
1 280 . 3 1 1 A 29 29 ARG HA H 29 4.350 4.555 -0.205 1
1 288 . 3 1 1 A 29 29 ARG CA C 29 58.043 55.983 2.060 1
1 289 . 3 1 1 A 29 29 ARG CB C 29 30.269 31.774 -1.505 1
1 292 . 3 1 1 A 29 29 ARG N N 29 125.844 115.680 10.164 1
1 294 . 3 1 1 A 30 30 VAL H H 30 8.472 8.791 -0.319 1
1 295 . 3 1 1 A 30 30 VAL HA H 30 4.540 4.767 -0.227 1
1 303 . 3 1 1 A 30 30 VAL CA C 30 59.500 61.397 -1.897 1
1 304 . 3 1 1 A 30 30 VAL CB C 30 35.700 33.053 2.647 1
1 307 . 3 1 1 A 30 30 VAL N N 30 125.322 124.925 0.397 1
1 308 . 3 1 1 A 31 31 TRP H H 31 8.648 8.908 -0.260 1
1 309 . 3 1 1 A 31 31 TRP HA H 31 4.864 5.298 -0.434 1
1 318 . 3 1 1 A 31 31 TRP CA C 31 56.885 55.289 1.596 1
1 319 . 3 1 1 A 31 31 TRP CB C 31 29.922 31.019 -1.097 1
1 325 . 3 1 1 A 31 31 TRP N N 31 125.162 129.035 -3.873 1
1 327 . 3 1 1 A 32 32 LEU H H 32 9.634 8.968 0.666 1
1 328 . 3 1 1 A 32 32 LEU HA H 32 4.701 5.053 -0.352 1
1 338 . 3 1 1 A 32 32 LEU CA C 32 53.078 53.228 -0.150 1
1 339 . 3 1 1 A 32 32 LEU CB C 32 44.467 43.770 0.697 1
1 343 . 3 1 1 A 32 32 LEU N N 32 125.975 124.678 1.297 1
1 344 . 3 1 1 A 33 33 GLN H H 33 8.446 8.631 -0.185 1
1 345 . 3 1 1 A 33 33 GLN HA H 33 5.027 4.977 0.050 1
1 352 . 3 1 1 A 33 33 GLN CA C 33 53.279 54.372 -1.093 1
1 353 . 3 1 1 A 33 33 GLN CB C 33 30.512 32.710 -2.198 1
1 355 . 3 1 1 A 33 33 GLN N N 33 121.000 120.824 0.176 1
1 357 . 3 1 1 A 34 34 ILE H H 34 9.377 8.713 0.664 1
1 358 . 3 1 1 A 34 34 ILE HA H 34 3.900 4.293 -0.393 1
1 368 . 3 1 1 A 34 34 ILE CA C 34 60.335 60.071 0.264 1
1 369 . 3 1 1 A 34 34 ILE CB C 34 38.613 38.553 0.060 1
1 373 . 3 1 1 A 34 34 ILE N N 34 128.325 127.263 1.062 1
1 374 . 3 1 1 A 35 35 PRO HA H 35 4.471 4.645 -0.174 1
1 381 . 3 1 1 A 35 35 PRO CA C 35 62.744 62.544 0.200 1
1 382 . 3 1 1 A 35 35 PRO CB C 35 32.282 31.514 0.768 1
1 385 . 3 1 1 A 36 36 GLU H H 36 8.971 9.003 -0.032 1
1 386 . 3 1 1 A 36 36 GLU HA H 36 3.918 3.959 -0.041 1
1 391 . 3 1 1 A 36 36 GLU CA C 36 59.030 59.410 -0.380 1
1 392 . 3 1 1 A 36 36 GLU CB C 36 29.791 29.400 0.391 1
1 394 . 3 1 1 A 36 36 GLU N N 36 124.755 125.091 -0.336 1
1 395 . 3 1 1 A 37 37 ASP H H 37 8.657 8.137 0.520 1
1 396 . 3 1 1 A 37 37 ASP HA H 37 4.421 4.389 0.032 1
1 399 . 3 1 1 A 37 37 ASP CA C 37 55.552 57.589 -2.037 1
1 400 . 3 1 1 A 37 37 ASP CB C 37 39.824 41.549 -1.725 1
1 401 . 3 1 1 A 37 37 ASP N N 37 114.541 119.775 -5.234 1
1 402 . 3 1 1 A 38 38 THR H H 38 7.498 7.724 -0.226 1
1 403 . 3 1 1 A 38 38 THR HA H 38 4.415 4.267 0.148 1
1 408 . 3 1 1 A 38 38 THR CA C 38 62.748 62.576 0.172 1
1 409 . 3 1 1 A 38 38 THR CB C 38 69.280 69.862 -0.582 1
1 411 . 3 1 1 A 38 38 THR N N 38 109.405 107.629 1.776 1
1 412 . 3 1 1 A 39 39 GLY H H 39 7.967 8.396 -0.429 1
1 413 . 3 1 1 A 39 39 GLY HA2 H 39 4.446 3.904 0.542 1
1 414 . 3 1 1 A 39 39 GLY HA3 H 39 3.619 3.960 -0.341 1
1 415 . 3 1 1 A 39 39 GLY CA C 39 46.428 45.297 1.131 1
1 416 . 3 1 1 A 39 39 GLY N N 39 108.005 110.729 -2.724 1
1 417 . 3 1 1 A 40 40 TRP H H 40 7.442 6.967 0.475 1
1 418 . 3 1 1 A 40 40 TRP HA H 40 5.960 5.550 0.410 1
1 427 . 3 1 1 A 40 40 TRP CA C 40 54.581 55.582 -1.001 1
1 428 . 3 1 1 A 40 40 TRP CB C 40 33.231 31.943 1.288 1
1 434 . 3 1 1 A 40 40 TRP N N 40 114.404 116.675 -2.271 1
1 436 . 3 1 1 A 41 41 VAL H H 41 9.317 9.022 0.295 1
1 437 . 3 1 1 A 41 41 VAL HA H 41 4.260 4.867 -0.607 1
1 445 . 3 1 1 A 41 41 VAL CA C 41 60.900 60.427 0.473 1
1 446 . 3 1 1 A 41 41 VAL CB C 41 36.400 35.315 1.085 1
1 449 . 3 1 1 A 41 41 VAL N N 41 119.203 121.230 -2.027 1
1 450 . 3 1 1 A 42 42 GLU H H 42 8.635 9.009 -0.374 1
1 451 . 3 1 1 A 42 42 GLU HA H 42 5.559 5.189 0.370 1
1 456 . 3 1 1 A 42 42 GLU CA C 42 53.676 55.414 -1.738 1
1 457 . 3 1 1 A 42 42 GLU CB C 42 32.534 31.800 0.734 1
1 459 . 3 1 1 A 42 42 GLU N N 42 125.457 127.302 -1.845 1
1 460 . 3 1 1 A 43 43 CYS H H 43 9.018 8.697 0.321 1
1 461 . 3 1 1 A 43 43 CYS HA H 43 4.710 4.679 0.031 1
1 464 . 3 1 1 A 43 43 CYS CA C 43 56.955 57.717 -0.762 1
1 465 . 3 1 1 A 43 43 CYS CB C 43 31.650 28.277 3.373 1
1 466 . 3 1 1 A 43 43 CYS N N 43 127.165 122.005 5.160 1
1 467 . 3 1 1 A 44 44 PRO HA H 44 4.455 4.537 -0.082 1
1 474 . 3 1 1 A 44 44 PRO CA C 44 64.002 63.945 0.057 1
1 475 . 3 1 1 A 44 44 PRO CB C 44 31.979 31.918 0.061 1
1 478 . 3 1 1 A 45 45 TYR H H 45 9.205 8.187 1.018 1
1 479 . 3 1 1 A 45 45 TYR HA H 45 4.477 4.731 -0.254 1
1 486 . 3 1 1 A 45 45 TYR CA C 45 59.357 59.328 0.029 1
1 487 . 3 1 1 A 45 45 TYR CB C 45 38.009 39.531 -1.522 1
1 492 . 3 1 1 A 45 45 TYR N N 45 120.751 117.010 3.741 1
1 493 . 3 1 1 A 46 46 CYS H H 46 8.097 7.941 0.156 1
1 494 . 3 1 1 A 46 46 CYS HA H 46 5.092 4.857 0.235 1
1 497 . 3 1 1 A 46 46 CYS CA C 46 58.497 58.396 0.101 1
1 498 . 3 1 1 A 46 46 CYS CB C 46 32.055 29.565 2.490 1
1 499 . 3 1 1 A 46 46 CYS N N 46 117.233 116.133 1.100 1
1 500 . 3 1 1 A 47 47 ASP H H 47 7.967 7.959 0.008 1
1 501 . 3 1 1 A 47 47 ASP HA H 47 4.629 4.828 -0.199 1
1 504 . 3 1 1 A 47 47 ASP CA C 47 56.076 54.260 1.816 1
1 505 . 3 1 1 A 47 47 ASP CB C 47 39.369 41.241 -1.872 1
1 506 . 3 1 1 A 47 47 ASP N N 47 118.439 121.096 -2.657 1
1 507 . 3 1 1 A 48 48 CYS H H 48 8.364 8.004 0.360 1
1 508 . 3 1 1 A 48 48 CYS HA H 48 4.175 4.800 -0.625 1
1 511 . 3 1 1 A 48 48 CYS CA C 48 61.629 57.777 3.852 1
1 512 . 3 1 1 A 48 48 CYS CB C 48 28.528 32.247 -3.719 1
1 513 . 3 1 1 A 48 48 CYS N N 48 121.540 115.678 5.862 1
1 514 . 3 1 1 A 49 49 LYS H H 49 8.542 8.386 0.156 1
1 515 . 3 1 1 A 49 49 LYS HA H 49 4.956 4.970 -0.014 1
1 524 . 3 1 1 A 49 49 LYS CA C 49 55.388 54.847 0.541 1
1 525 . 3 1 1 A 49 49 LYS CB C 49 34.179 34.738 -0.559 1
1 529 . 3 1 1 A 49 49 LYS N N 49 129.258 122.848 6.410 1
1 530 . 3 1 1 A 50 50 TYR H H 50 9.320 9.519 -0.199 1
1 531 . 3 1 1 A 50 50 TYR HA H 50 5.264 5.329 -0.065 1
1 538 . 3 1 1 A 50 50 TYR CA C 50 57.636 57.303 0.333 1
1 539 . 3 1 1 A 50 50 TYR CB C 50 40.412 39.729 0.683 1
1 544 . 3 1 1 A 50 50 TYR N N 50 125.926 127.380 -1.454 1
1 545 . 3 1 1 A 51 51 VAL H H 51 8.925 9.276 -0.351 1
1 546 . 3 1 1 A 51 51 VAL HA H 51 4.824 4.638 0.186 1
1 554 . 3 1 1 A 51 51 VAL CA C 51 59.968 61.704 -1.736 1
1 555 . 3 1 1 A 51 51 VAL CB C 51 35.624 33.484 2.140 1
1 558 . 3 1 1 A 51 51 VAL N N 51 122.631 124.211 -1.580 1
1 559 . 3 1 1 A 52 52 LEU H H 52 8.771 8.986 -0.215 1
1 560 . 3 1 1 A 52 52 LEU HA H 52 4.496 4.750 -0.254 1
1 570 . 3 1 1 A 52 52 LEU CA C 52 54.163 54.877 -0.714 1
1 571 . 3 1 1 A 52 52 LEU CB C 52 43.220 43.002 0.218 1
1 575 . 3 1 1 A 52 52 LEU N N 52 127.249 130.087 -2.838 1
1 576 . 3 1 1 A 53 53 LYS H H 53 9.317 8.931 0.386 1
1 577 . 3 1 1 A 53 53 LYS HA H 53 4.028 4.001 0.027 1
1 586 . 3 1 1 A 53 53 LYS CA C 53 57.885 57.988 -0.103 1
1 587 . 3 1 1 A 53 53 LYS CB C 53 32.819 32.501 0.318 1
1 591 . 3 1 1 A 53 53 LYS N N 53 132.446 127.229 5.217 1
1 592 . 3 1 1 A 54 54 GLY H H 54 10.642 8.677 1.965 1
1 593 . 3 1 1 A 54 54 GLY HA2 H 54 4.195 3.935 0.260 1
1 594 . 3 1 1 A 54 54 GLY HA3 H 54 3.817 3.936 -0.119 1
1 595 . 3 1 1 A 54 54 GLY CA C 54 45.390 45.663 -0.273 1
1 596 . 3 1 1 A 54 54 GLY N N 54 117.440 115.095 2.345 1
1 597 . 3 1 1 A 55 55 SER H H 55 7.996 7.757 0.239 1
1 598 . 3 1 1 A 55 55 SER HA H 55 4.623 4.881 -0.258 1
1 601 . 3 1 1 A 55 55 SER CA C 55 58.553 55.986 2.567 1
1 602 . 3 1 1 A 55 55 SER CB C 55 66.037 65.728 0.309 1
1 603 . 3 1 1 A 55 55 SER N N 55 115.895 115.366 0.529 1
1 604 . 3 1 1 A 56 56 LYS H H 56 9.018 8.875 0.143 1
1 605 . 3 1 1 A 56 56 LYS HA H 56 4.115 4.022 0.093 1
1 614 . 3 1 1 A 56 56 LYS CA C 56 58.716 59.265 -0.549 1
1 615 . 3 1 1 A 56 56 LYS CB C 56 32.311 32.123 0.188 1
1 619 . 3 1 1 A 56 56 LYS N N 56 120.334 125.186 -4.852 1
1 620 . 3 1 1 A 57 57 ALA H H 57 7.590 7.928 -0.338 1
1 621 . 3 1 1 A 57 57 ALA HA H 57 4.318 4.254 0.064 1
1 625 . 3 1 1 A 57 57 ALA CA C 57 53.124 52.773 0.351 1
1 626 . 3 1 1 A 57 57 ALA CB C 57 20.015 18.711 1.304 1
1 627 . 3 1 1 A 57 57 ALA N N 57 119.501 120.972 -1.471 1
1 628 . 3 1 1 A 58 58 ASP H H 58 7.588 8.052 -0.464 1
1 629 . 3 1 1 A 58 58 ASP HA H 58 4.441 4.667 -0.226 1
1 632 . 3 1 1 A 58 58 ASP CA C 58 54.193 53.997 0.196 1
1 633 . 3 1 1 A 58 58 ASP CB C 58 41.066 41.437 -0.371 1
1 634 . 3 1 1 A 58 58 ASP N N 58 120.195 117.567 2.628 1
1 635 . 3 1 1 A 59 59 ALA H H 59 7.840 7.673 0.167 1
1 636 . 3 1 1 A 59 59 ALA HA H 59 4.188 4.600 -0.412 1
1 640 . 3 1 1 A 59 59 ALA CA C 59 53.326 51.357 1.969 1
1 641 . 3 1 1 A 59 59 ALA CB C 59 19.094 19.275 -0.181 1
1 642 . 3 1 1 A 59 59 ALA N N 59 124.358 120.711 3.647 1
1 643 . 3 1 1 A 60 60 LEU H H 60 8.078 8.563 -0.485 1
1 644 . 3 1 1 A 60 60 LEU HA H 60 4.100 4.546 -0.446 1
1 654 . 3 1 1 A 60 60 LEU CA C 60 56.210 54.443 1.767 1
1 655 . 3 1 1 A 60 60 LEU CB C 60 41.973 41.193 0.780 1
1 659 . 3 1 1 A 60 60 LEU N N 60 119.688 124.727 -5.039 1
1 660 . 3 1 1 A 61 61 GLU H H 61 8.042 7.639 0.403 1
1 661 . 3 1 1 A 61 61 GLU HA H 61 4.072 4.552 -0.480 1
1 666 . 3 1 1 A 61 61 GLU CA C 61 56.896 55.281 1.615 1
1 667 . 3 1 1 A 61 61 GLU CB C 61 29.776 30.831 -1.055 1
1 669 . 3 1 1 A 61 61 GLU N N 61 119.804 119.586 0.218 1
1 670 . 3 1 1 A 62 62 HIS H H 62 8.153 8.908 -0.755 1
1 671 . 3 1 1 A 62 62 HIS HA H 62 4.610 4.605 0.005 1
1 674 . 3 1 1 A 62 62 HIS CA C 62 56.131 58.110 -1.979 1
1 675 . 3 1 1 A 62 62 HIS CB C 62 29.250 31.514 -2.264 1
1 676 . 3 1 1 A 62 62 HIS N N 62 117.955 122.513 -4.558 1
1 677 . 3 1 1 A 63 63 HIS H H 63 8.324 7.624 0.700 1
1 678 . 3 1 1 A 63 63 HIS HA H 63 4.520 4.625 -0.105 1
1 681 . 3 1 1 A 63 63 HIS CA C 63 57.194 55.962 1.232 1
1 682 . 3 1 1 A 63 63 HIS CB C 63 29.761 32.670 -2.909 1
1 1 . 4 1 1 A 2 2 THR HA H 2 3.902 3.950 -0.048 1
1 6 . 4 1 1 A 2 2 THR CA C 2 61.460 63.213 -1.753 1
1 7 . 4 1 1 A 2 2 THR CB C 2 69.379 66.444 2.935 1
1 9 . 4 1 1 A 3 3 ILE H H 3 8.671 8.279 0.392 1
1 10 . 4 1 1 A 3 3 ILE HA H 3 4.166 3.838 0.328 1
1 20 . 4 1 1 A 3 3 ILE CA C 3 61.569 62.908 -1.339 1
1 21 . 4 1 1 A 3 3 ILE CB C 3 38.770 35.615 3.155 1
1 25 . 4 1 1 A 3 3 ILE N N 3 124.520 113.292 11.228 1
1 26 . 4 1 1 A 4 4 GLN H H 4 8.477 8.281 0.196 1
1 27 . 4 1 1 A 4 4 GLN HA H 4 4.291 3.869 0.422 1
1 34 . 4 1 1 A 4 4 GLN CA C 4 55.615 58.510 -2.895 1
1 35 . 4 1 1 A 4 4 GLN CB C 4 29.590 27.028 2.562 1
1 37 . 4 1 1 A 4 4 GLN N N 4 124.855 112.994 11.861 1
1 39 . 4 1 1 A 5 5 ALA H H 5 8.334 8.279 0.055 1
1 40 . 4 1 1 A 5 5 ALA HA H 5 4.568 3.929 0.639 1
1 44 . 4 1 1 A 5 5 ALA CA C 5 50.464 52.638 -2.174 1
1 45 . 4 1 1 A 5 5 ALA CB C 5 18.235 17.677 0.558 1
1 46 . 4 1 1 A 5 5 ALA N N 5 127.159 119.583 7.576 1
1 47 . 4 1 1 A 6 6 PRO HA H 6 4.429 4.568 -0.139 1
1 53 . 4 1 1 A 6 6 PRO CA C 6 63.072 62.239 0.833 1
1 54 . 4 1 1 A 6 6 PRO CB C 6 32.220 28.971 3.249 1
1 57 . 4 1 1 A 7 7 GLU H H 7 8.363 8.642 -0.279 1
1 58 . 4 1 1 A 7 7 GLU HA H 7 4.280 4.378 -0.098 1
1 62 . 4 1 1 A 7 7 GLU CA C 7 56.298 56.563 -0.265 1
1 63 . 4 1 1 A 7 7 GLU CB C 7 31.415 29.836 1.579 1
1 65 . 4 1 1 A 7 7 GLU N N 7 122.629 123.525 -0.896 1
1 66 . 4 1 1 A 8 8 THR H H 8 8.219 8.770 -0.551 1
1 67 . 4 1 1 A 8 8 THR HA H 8 4.948 4.911 0.037 1
1 72 . 4 1 1 A 8 8 THR CA C 8 62.157 62.025 0.132 1
1 73 . 4 1 1 A 8 8 THR CB C 8 70.658 69.709 0.949 1
1 75 . 4 1 1 A 8 8 THR N N 8 119.082 123.284 -4.202 1
1 76 . 4 1 1 A 9 9 LYS H H 9 8.885 9.307 -0.422 1
1 77 . 4 1 1 A 9 9 LYS HA H 9 4.513 4.915 -0.402 1
1 86 . 4 1 1 A 9 9 LYS CA C 9 55.062 54.693 0.369 1
1 87 . 4 1 1 A 9 9 LYS CB C 9 35.316 35.036 0.280 1
1 91 . 4 1 1 A 9 9 LYS N N 9 128.038 127.826 0.212 1
1 92 . 4 1 1 A 10 10 ILE H H 10 8.550 8.774 -0.224 1
1 93 . 4 1 1 A 10 10 ILE HA H 10 5.029 4.622 0.407 1
1 103 . 4 1 1 A 10 10 ILE CA C 10 59.908 60.852 -0.944 1
1 104 . 4 1 1 A 10 10 ILE CB C 10 37.184 37.270 -0.086 1
1 108 . 4 1 1 A 10 10 ILE N N 10 124.813 128.443 -3.630 1
1 109 . 4 1 1 A 11 11 VAL H H 11 9.253 8.777 0.476 1
1 110 . 4 1 1 A 11 11 VAL HA H 11 4.970 4.793 0.177 1
1 118 . 4 1 1 A 11 11 VAL CA C 11 59.300 60.255 -0.955 1
1 119 . 4 1 1 A 11 11 VAL CB C 11 35.700 34.376 1.324 1
1 122 . 4 1 1 A 11 11 VAL N N 11 121.581 126.801 -5.220 1
1 123 . 4 1 1 A 12 12 ASP H H 12 8.471 8.989 -0.518 1
1 124 . 4 1 1 A 12 12 ASP HA H 12 4.825 4.554 0.271 1
1 127 . 4 1 1 A 12 12 ASP CA C 12 53.836 56.080 -2.244 1
1 128 . 4 1 1 A 12 12 ASP CB C 12 41.671 42.016 -0.345 1
1 129 . 4 1 1 A 12 12 ASP N N 12 118.084 121.428 -3.344 1
1 130 . 4 1 1 A 13 13 LYS H H 13 7.170 7.954 -0.784 1
1 131 . 4 1 1 A 13 13 LYS HA H 13 4.679 4.726 -0.047 1
1 140 . 4 1 1 A 13 13 LYS CA C 13 54.180 54.457 -0.277 1
1 141 . 4 1 1 A 13 13 LYS CB C 13 35.890 35.102 0.788 1
1 145 . 4 1 1 A 13 13 LYS N N 13 117.300 117.114 0.186 1
1 146 . 4 1 1 A 14 14 SER H H 14 8.254 8.627 -0.373 1
1 147 . 4 1 1 A 14 14 SER HA H 14 4.170 4.417 -0.247 1
1 150 . 4 1 1 A 14 14 SER CA C 14 60.024 60.950 -0.926 1
1 151 . 4 1 1 A 14 14 SER CB C 14 63.593 63.390 0.203 1
1 152 . 4 1 1 A 14 14 SER N N 14 111.308 115.570 -4.262 1
1 153 . 4 1 1 A 15 15 ARG H H 15 7.110 7.735 -0.625 1
1 154 . 4 1 1 A 15 15 ARG HA H 15 5.297 5.387 -0.090 1
1 161 . 4 1 1 A 15 15 ARG CA C 15 55.163 55.521 -0.358 1
1 162 . 4 1 1 A 15 15 ARG CB C 15 31.260 32.049 -0.789 1
1 165 . 4 1 1 A 15 15 ARG N N 15 121.362 118.816 2.546 1
1 166 . 4 1 1 A 16 16 VAL H H 16 8.809 8.984 -0.175 1
1 167 . 4 1 1 A 16 16 VAL HA H 16 4.450 4.428 0.022 1
1 175 . 4 1 1 A 16 16 VAL CA C 16 59.600 60.519 -0.919 1
1 176 . 4 1 1 A 16 16 VAL CB C 16 35.800 35.016 0.784 1
1 179 . 4 1 1 A 16 16 VAL N N 16 124.300 123.227 1.073 1
1 180 . 4 1 1 A 17 17 ALA H H 17 8.009 8.311 -0.302 1
1 181 . 4 1 1 A 17 17 ALA HA H 17 4.322 3.511 0.811 1
1 185 . 4 1 1 A 17 17 ALA CA C 17 49.691 51.051 -1.360 1
1 186 . 4 1 1 A 17 17 ALA CB C 17 17.652 17.515 0.137 1
1 187 . 4 1 1 A 17 17 ALA N N 17 127.911 128.653 -0.742 1
1 188 . 4 1 1 A 18 18 CYS H H 18 8.814 8.490 0.324 1
1 189 . 4 1 1 A 18 18 CYS HA H 18 4.492 4.508 -0.016 1
1 192 . 4 1 1 A 18 18 CYS CA C 18 59.650 58.127 1.523 1
1 193 . 4 1 1 A 18 18 CYS CB C 18 31.882 25.996 5.886 1
1 194 . 4 1 1 A 18 18 CYS N N 18 123.363 124.273 -0.910 1
1 195 . 4 1 1 A 19 19 ASP H H 19 8.528 8.203 0.325 1
1 196 . 4 1 1 A 19 19 ASP HA H 19 4.489 4.230 0.259 1
1 199 . 4 1 1 A 19 19 ASP CA C 19 53.107 56.932 -3.825 1
1 200 . 4 1 1 A 19 19 ASP CB C 19 42.346 41.372 0.974 1
1 201 . 4 1 1 A 19 19 ASP N N 19 128.758 124.112 4.646 1
1 202 . 4 1 1 A 20 20 GLY H H 20 9.037 7.314 1.723 1
1 203 . 4 1 1 A 20 20 GLY HA2 H 20 4.079 4.045 0.034 1
1 204 . 4 1 1 A 20 20 GLY HA3 H 20 3.906 4.158 -0.252 1
1 205 . 4 1 1 A 20 20 GLY CA C 20 45.894 45.565 0.329 1
1 206 . 4 1 1 A 20 20 GLY N N 20 115.047 103.159 11.888 1
1 207 . 4 1 1 A 21 21 GLY H H 21 7.336 8.631 -1.295 1
1 208 . 4 1 1 A 21 21 GLY HA2 H 21 4.246 4.063 0.183 1
1 209 . 4 1 1 A 21 21 GLY HA3 H 21 3.612 4.070 -0.458 1
1 210 . 4 1 1 A 21 21 GLY CA C 21 44.222 45.018 -0.796 1
1 211 . 4 1 1 A 21 21 GLY N N 21 109.000 110.028 -1.028 1
1 212 . 4 1 1 A 22 22 GLU H H 22 8.359 8.206 0.153 1
1 213 . 4 1 1 A 22 22 GLU HA H 22 4.192 4.315 -0.123 1
1 218 . 4 1 1 A 22 22 GLU CA C 22 56.200 56.672 -0.472 1
1 219 . 4 1 1 A 22 22 GLU CB C 22 30.746 30.214 0.532 1
1 221 . 4 1 1 A 22 22 GLU N N 22 118.322 122.455 -4.133 1
1 222 . 4 1 1 A 23 23 GLY H H 23 8.809 8.690 0.119 1
1 223 . 4 1 1 A 23 23 GLY HA2 H 23 3.780 3.753 0.027 1
1 224 . 4 1 1 A 23 23 GLY HA3 H 23 3.835 3.761 0.074 1
1 225 . 4 1 1 A 23 23 GLY CA C 23 46.688 47.419 -0.731 1
1 226 . 4 1 1 A 23 23 GLY N N 23 111.934 111.043 0.891 1
1 227 . 4 1 1 A 24 24 ALA H H 24 8.995 7.969 1.026 1
1 228 . 4 1 1 A 24 24 ALA HA H 24 4.246 3.995 0.251 1
1 232 . 4 1 1 A 24 24 ALA CA C 24 53.645 54.351 -0.706 1
1 233 . 4 1 1 A 24 24 ALA CB C 24 18.641 18.307 0.334 1
1 234 . 4 1 1 A 24 24 ALA N N 24 129.183 124.751 4.432 1
1 235 . 4 1 1 A 25 25 LEU H H 25 7.780 7.566 0.214 1
1 236 . 4 1 1 A 25 25 LEU HA H 25 4.407 4.298 0.109 1
1 246 . 4 1 1 A 25 25 LEU CA C 25 54.551 54.674 -0.123 1
1 247 . 4 1 1 A 25 25 LEU CB C 25 41.305 41.539 -0.234 1
1 251 . 4 1 1 A 25 25 LEU N N 25 116.850 115.098 1.752 1
1 252 . 4 1 1 A 26 26 GLY H H 26 7.808 7.572 0.236 1
1 253 . 4 1 1 A 26 26 GLY HA2 H 26 4.313 3.890 0.423 1
1 254 . 4 1 1 A 26 26 GLY HA3 H 26 3.685 3.971 -0.286 1
1 255 . 4 1 1 A 26 26 GLY CA C 26 45.895 44.754 1.141 1
1 256 . 4 1 1 A 26 26 GLY N N 26 110.392 107.609 2.783 1
1 257 . 4 1 1 A 27 27 HIS H H 27 7.626 8.524 -0.898 1
1 258 . 4 1 1 A 27 27 HIS HA H 27 4.999 4.815 0.184 1
1 263 . 4 1 1 A 27 27 HIS CA C 27 53.604 54.230 -0.626 1
1 264 . 4 1 1 A 27 27 HIS CB C 27 28.333 30.970 -2.637 1
1 267 . 4 1 1 A 27 27 HIS N N 27 118.046 118.482 -0.436 1
1 268 . 4 1 1 A 28 28 PRO HA H 28 4.270 4.253 0.017 1
1 275 . 4 1 1 A 28 28 PRO CA C 28 63.293 65.401 -2.108 1
1 276 . 4 1 1 A 28 28 PRO CB C 28 31.916 31.613 0.303 1
1 279 . 4 1 1 A 29 29 ARG H H 29 8.464 7.628 0.836 1
1 280 . 4 1 1 A 29 29 ARG HA H 29 4.350 4.543 -0.193 1
1 288 . 4 1 1 A 29 29 ARG CA C 29 58.043 56.001 2.042 1
1 289 . 4 1 1 A 29 29 ARG CB C 29 30.269 31.646 -1.377 1
1 292 . 4 1 1 A 29 29 ARG N N 29 125.844 115.374 10.470 1
1 294 . 4 1 1 A 30 30 VAL H H 30 8.472 8.628 -0.156 1
1 295 . 4 1 1 A 30 30 VAL HA H 30 4.540 4.997 -0.457 1
1 303 . 4 1 1 A 30 30 VAL CA C 30 59.500 60.344 -0.844 1
1 304 . 4 1 1 A 30 30 VAL CB C 30 35.700 33.556 2.144 1
1 307 . 4 1 1 A 30 30 VAL N N 30 125.322 121.443 3.879 1
1 308 . 4 1 1 A 31 31 TRP H H 31 8.648 8.894 -0.246 1
1 309 . 4 1 1 A 31 31 TRP HA H 31 4.864 5.402 -0.538 1
1 318 . 4 1 1 A 31 31 TRP CA C 31 56.885 55.255 1.630 1
1 319 . 4 1 1 A 31 31 TRP CB C 31 29.922 30.562 -0.640 1
1 325 . 4 1 1 A 31 31 TRP N N 31 125.162 126.432 -1.270 1
1 327 . 4 1 1 A 32 32 LEU H H 32 9.634 8.980 0.654 1
1 328 . 4 1 1 A 32 32 LEU HA H 32 4.701 4.712 -0.011 1
1 338 . 4 1 1 A 32 32 LEU CA C 32 53.078 54.220 -1.142 1
1 339 . 4 1 1 A 32 32 LEU CB C 32 44.467 42.891 1.576 1
1 343 . 4 1 1 A 32 32 LEU N N 32 125.975 125.392 0.583 1
1 344 . 4 1 1 A 33 33 GLN H H 33 8.446 8.837 -0.391 1
1 345 . 4 1 1 A 33 33 GLN HA H 33 5.027 4.988 0.039 1
1 352 . 4 1 1 A 33 33 GLN CA C 33 53.279 54.236 -0.957 1
1 353 . 4 1 1 A 33 33 GLN CB C 33 30.512 31.343 -0.831 1
1 355 . 4 1 1 A 33 33 GLN N N 33 121.000 122.074 -1.074 1
1 357 . 4 1 1 A 34 34 ILE H H 34 9.377 8.897 0.480 1
1 358 . 4 1 1 A 34 34 ILE HA H 34 3.900 4.436 -0.536 1
1 368 . 4 1 1 A 34 34 ILE CA C 34 60.335 59.330 1.005 1
1 369 . 4 1 1 A 34 34 ILE CB C 34 38.613 38.241 0.372 1
1 373 . 4 1 1 A 34 34 ILE N N 34 128.325 127.259 1.066 1
1 374 . 4 1 1 A 35 35 PRO HA H 35 4.471 4.786 -0.315 1
1 381 . 4 1 1 A 35 35 PRO CA C 35 62.744 62.270 0.474 1
1 382 . 4 1 1 A 35 35 PRO CB C 35 32.282 32.240 0.042 1
1 385 . 4 1 1 A 36 36 GLU H H 36 8.971 8.675 0.296 1
1 386 . 4 1 1 A 36 36 GLU HA H 36 3.918 4.006 -0.088 1
1 391 . 4 1 1 A 36 36 GLU CA C 36 59.030 59.609 -0.579 1
1 392 . 4 1 1 A 36 36 GLU CB C 36 29.791 29.257 0.534 1
1 394 . 4 1 1 A 36 36 GLU N N 36 124.755 123.447 1.308 1
1 395 . 4 1 1 A 37 37 ASP H H 37 8.657 8.111 0.546 1
1 396 . 4 1 1 A 37 37 ASP HA H 37 4.421 4.252 0.169 1
1 399 . 4 1 1 A 37 37 ASP CA C 37 55.552 57.254 -1.702 1
1 400 . 4 1 1 A 37 37 ASP CB C 37 39.824 40.716 -0.892 1
1 401 . 4 1 1 A 37 37 ASP N N 37 114.541 120.066 -5.525 1
1 402 . 4 1 1 A 38 38 THR H H 38 7.498 7.774 -0.276 1
1 403 . 4 1 1 A 38 38 THR HA H 38 4.415 4.159 0.256 1
1 408 . 4 1 1 A 38 38 THR CA C 38 62.748 62.980 -0.232 1
1 409 . 4 1 1 A 38 38 THR CB C 38 69.280 69.702 -0.422 1
1 411 . 4 1 1 A 38 38 THR N N 38 109.405 108.408 0.997 1
1 412 . 4 1 1 A 39 39 GLY H H 39 7.967 8.890 -0.923 1
1 413 . 4 1 1 A 39 39 GLY HA2 H 39 4.446 3.908 0.538 1
1 414 . 4 1 1 A 39 39 GLY HA3 H 39 3.619 3.982 -0.363 1
1 415 . 4 1 1 A 39 39 GLY CA C 39 46.428 45.405 1.023 1
1 416 . 4 1 1 A 39 39 GLY N N 39 108.005 110.814 -2.809 1
1 417 . 4 1 1 A 40 40 TRP H H 40 7.442 6.899 0.543 1
1 418 . 4 1 1 A 40 40 TRP HA H 40 5.960 5.436 0.524 1
1 427 . 4 1 1 A 40 40 TRP CA C 40 54.581 55.494 -0.913 1
1 428 . 4 1 1 A 40 40 TRP CB C 40 33.231 31.443 1.788 1
1 434 . 4 1 1 A 40 40 TRP N N 40 114.404 116.793 -2.389 1
1 436 . 4 1 1 A 41 41 VAL H H 41 9.317 9.025 0.292 1
1 437 . 4 1 1 A 41 41 VAL HA H 41 4.260 4.915 -0.655 1
1 445 . 4 1 1 A 41 41 VAL CA C 41 60.900 60.039 0.861 1
1 446 . 4 1 1 A 41 41 VAL CB C 41 36.400 35.566 0.834 1
1 449 . 4 1 1 A 41 41 VAL N N 41 119.203 121.128 -1.925 1
1 450 . 4 1 1 A 42 42 GLU H H 42 8.635 8.964 -0.329 1
1 451 . 4 1 1 A 42 42 GLU HA H 42 5.559 5.153 0.406 1
1 456 . 4 1 1 A 42 42 GLU CA C 42 53.676 55.897 -2.221 1
1 457 . 4 1 1 A 42 42 GLU CB C 42 32.534 30.488 2.046 1
1 459 . 4 1 1 A 42 42 GLU N N 42 125.457 126.933 -1.476 1
1 460 . 4 1 1 A 43 43 CYS H H 43 9.018 8.914 0.104 1
1 461 . 4 1 1 A 43 43 CYS HA H 43 4.710 4.707 0.003 1
1 464 . 4 1 1 A 43 43 CYS CA C 43 56.955 57.267 -0.312 1
1 465 . 4 1 1 A 43 43 CYS CB C 43 31.650 28.978 2.672 1
1 466 . 4 1 1 A 43 43 CYS N N 43 127.165 125.500 1.665 1
1 467 . 4 1 1 A 44 44 PRO HA H 44 4.455 4.401 0.054 1
1 474 . 4 1 1 A 44 44 PRO CA C 44 64.002 64.153 -0.151 1
1 475 . 4 1 1 A 44 44 PRO CB C 44 31.979 31.567 0.412 1
1 478 . 4 1 1 A 45 45 TYR H H 45 9.205 7.623 1.582 1
1 479 . 4 1 1 A 45 45 TYR HA H 45 4.477 4.217 0.260 1
1 486 . 4 1 1 A 45 45 TYR CA C 45 59.357 60.378 -1.021 1
1 487 . 4 1 1 A 45 45 TYR CB C 45 38.009 39.382 -1.373 1
1 492 . 4 1 1 A 45 45 TYR N N 45 120.751 116.526 4.225 1
1 493 . 4 1 1 A 46 46 CYS H H 46 8.097 7.594 0.503 1
1 494 . 4 1 1 A 46 46 CYS HA H 46 5.092 4.750 0.342 1
1 497 . 4 1 1 A 46 46 CYS CA C 46 58.497 58.228 0.269 1
1 498 . 4 1 1 A 46 46 CYS CB C 46 32.055 28.588 3.467 1
1 499 . 4 1 1 A 46 46 CYS N N 46 117.233 115.338 1.895 1
1 500 . 4 1 1 A 47 47 ASP H H 47 7.967 8.066 -0.099 1
1 501 . 4 1 1 A 47 47 ASP HA H 47 4.629 4.479 0.150 1
1 504 . 4 1 1 A 47 47 ASP CA C 47 56.076 55.226 0.850 1
1 505 . 4 1 1 A 47 47 ASP CB C 47 39.369 39.033 0.336 1
1 506 . 4 1 1 A 47 47 ASP N N 47 118.439 118.049 0.390 1
1 507 . 4 1 1 A 48 48 CYS H H 48 8.364 7.704 0.660 1
1 508 . 4 1 1 A 48 48 CYS HA H 48 4.175 4.982 -0.807 1
1 511 . 4 1 1 A 48 48 CYS CA C 48 61.629 57.907 3.722 1
1 512 . 4 1 1 A 48 48 CYS CB C 48 28.528 31.754 -3.226 1
1 513 . 4 1 1 A 48 48 CYS N N 48 121.540 116.841 4.699 1
1 514 . 4 1 1 A 49 49 LYS H H 49 8.542 8.384 0.158 1
1 515 . 4 1 1 A 49 49 LYS HA H 49 4.956 5.021 -0.065 1
1 524 . 4 1 1 A 49 49 LYS CA C 49 55.388 54.743 0.645 1
1 525 . 4 1 1 A 49 49 LYS CB C 49 34.179 33.627 0.552 1
1 529 . 4 1 1 A 49 49 LYS N N 49 129.258 124.096 5.162 1
1 530 . 4 1 1 A 50 50 TYR H H 50 9.320 9.353 -0.033 1
1 531 . 4 1 1 A 50 50 TYR HA H 50 5.264 5.268 -0.004 1
1 538 . 4 1 1 A 50 50 TYR CA C 50 57.636 57.244 0.392 1
1 539 . 4 1 1 A 50 50 TYR CB C 50 40.412 39.414 0.998 1
1 544 . 4 1 1 A 50 50 TYR N N 50 125.926 127.633 -1.707 1
1 545 . 4 1 1 A 51 51 VAL H H 51 8.925 9.054 -0.129 1
1 546 . 4 1 1 A 51 51 VAL HA H 51 4.824 4.684 0.140 1
1 554 . 4 1 1 A 51 51 VAL CA C 51 59.968 61.657 -1.689 1
1 555 . 4 1 1 A 51 51 VAL CB C 51 35.624 33.569 2.055 1
1 558 . 4 1 1 A 51 51 VAL N N 51 122.631 124.871 -2.240 1
1 559 . 4 1 1 A 52 52 LEU H H 52 8.771 8.400 0.371 1
1 560 . 4 1 1 A 52 52 LEU HA H 52 4.496 4.559 -0.063 1
1 570 . 4 1 1 A 52 52 LEU CA C 52 54.163 55.494 -1.331 1
1 571 . 4 1 1 A 52 52 LEU CB C 52 43.220 42.917 0.303 1
1 575 . 4 1 1 A 52 52 LEU N N 52 127.249 129.984 -2.735 1
1 576 . 4 1 1 A 53 53 LYS H H 53 9.317 8.776 0.541 1
1 577 . 4 1 1 A 53 53 LYS HA H 53 4.028 3.981 0.047 1
1 586 . 4 1 1 A 53 53 LYS CA C 53 57.885 58.150 -0.265 1
1 587 . 4 1 1 A 53 53 LYS CB C 53 32.819 32.112 0.707 1
1 591 . 4 1 1 A 53 53 LYS N N 53 132.446 126.500 5.946 1
1 592 . 4 1 1 A 54 54 GLY H H 54 10.642 8.875 1.767 1
1 593 . 4 1 1 A 54 54 GLY HA2 H 54 4.195 4.018 0.177 1
1 594 . 4 1 1 A 54 54 GLY HA3 H 54 3.817 4.025 -0.208 1
1 595 . 4 1 1 A 54 54 GLY CA C 54 45.390 45.054 0.336 1
1 596 . 4 1 1 A 54 54 GLY N N 54 117.440 115.283 2.157 1
1 597 . 4 1 1 A 55 55 SER H H 55 7.996 8.158 -0.162 1
1 598 . 4 1 1 A 55 55 SER HA H 55 4.623 4.566 0.057 1
1 601 . 4 1 1 A 55 55 SER CA C 55 58.553 58.219 0.334 1
1 602 . 4 1 1 A 55 55 SER CB C 55 66.037 64.194 1.843 1
1 603 . 4 1 1 A 55 55 SER N N 55 115.895 115.684 0.211 1
1 604 . 4 1 1 A 56 56 LYS H H 56 9.018 8.860 0.158 1
1 605 . 4 1 1 A 56 56 LYS HA H 56 4.115 4.056 0.059 1
1 614 . 4 1 1 A 56 56 LYS CA C 56 58.716 58.333 0.383 1
1 615 . 4 1 1 A 56 56 LYS CB C 56 32.311 31.873 0.438 1
1 619 . 4 1 1 A 56 56 LYS N N 56 120.334 123.992 -3.658 1
1 620 . 4 1 1 A 57 57 ALA H H 57 7.590 7.653 -0.063 1
1 621 . 4 1 1 A 57 57 ALA HA H 57 4.318 4.280 0.038 1
1 625 . 4 1 1 A 57 57 ALA CA C 57 53.124 54.081 -0.957 1
1 626 . 4 1 1 A 57 57 ALA CB C 57 20.015 18.593 1.422 1
1 627 . 4 1 1 A 57 57 ALA N N 57 119.501 121.832 -2.331 1
1 628 . 4 1 1 A 58 58 ASP H H 58 7.588 7.745 -0.157 1
1 629 . 4 1 1 A 58 58 ASP HA H 58 4.441 4.548 -0.107 1
1 632 . 4 1 1 A 58 58 ASP CA C 58 54.193 52.868 1.325 1
1 633 . 4 1 1 A 58 58 ASP CB C 58 41.066 42.756 -1.690 1
1 634 . 4 1 1 A 58 58 ASP N N 58 120.195 118.578 1.617 1
1 635 . 4 1 1 A 59 59 ALA H H 59 7.840 8.567 -0.727 1
1 636 . 4 1 1 A 59 59 ALA HA H 59 4.188 3.867 0.321 1
1 640 . 4 1 1 A 59 59 ALA CA C 59 53.326 52.744 0.582 1
1 641 . 4 1 1 A 59 59 ALA CB C 59 19.094 17.407 1.687 1
1 642 . 4 1 1 A 59 59 ALA N N 59 124.358 121.852 2.506 1
1 643 . 4 1 1 A 60 60 LEU H H 60 8.078 7.848 0.230 1
1 644 . 4 1 1 A 60 60 LEU HA H 60 4.100 4.174 -0.074 1
1 654 . 4 1 1 A 60 60 LEU CA C 60 56.210 54.923 1.287 1
1 655 . 4 1 1 A 60 60 LEU CB C 60 41.973 41.283 0.690 1
1 659 . 4 1 1 A 60 60 LEU N N 60 119.688 116.694 2.994 1
1 660 . 4 1 1 A 61 61 GLU H H 61 8.042 7.744 0.298 1
1 661 . 4 1 1 A 61 61 GLU HA H 61 4.072 4.280 -0.208 1
1 666 . 4 1 1 A 61 61 GLU CA C 61 56.896 55.681 1.215 1
1 667 . 4 1 1 A 61 61 GLU CB C 61 29.776 29.754 0.022 1
1 669 . 4 1 1 A 61 61 GLU N N 61 119.804 122.567 -2.763 1
1 670 . 4 1 1 A 62 62 HIS H H 62 8.153 8.378 -0.225 1
1 671 . 4 1 1 A 62 62 HIS HA H 62 4.610 4.650 -0.040 1
1 674 . 4 1 1 A 62 62 HIS CA C 62 56.131 55.989 0.142 1
1 675 . 4 1 1 A 62 62 HIS CB C 62 29.250 29.385 -0.135 1
1 676 . 4 1 1 A 62 62 HIS N N 62 117.955 124.342 -6.387 1
1 677 . 4 1 1 A 63 63 HIS H H 63 8.324 7.517 0.807 1
1 678 . 4 1 1 A 63 63 HIS HA H 63 4.520 4.159 0.361 1
1 681 . 4 1 1 A 63 63 HIS CA C 63 57.194 57.835 -0.641 1
1 682 . 4 1 1 A 63 63 HIS CB C 63 29.761 30.194 -0.433 1
1 1 . 5 1 1 A 2 2 THR HA H 2 3.902 4.882 -0.980 1
1 6 . 5 1 1 A 2 2 THR CA C 2 61.460 60.930 0.530 1
1 7 . 5 1 1 A 2 2 THR CB C 2 69.379 71.566 -2.187 1
1 9 . 5 1 1 A 3 3 ILE H H 3 8.671 8.672 -0.001 1
1 10 . 5 1 1 A 3 3 ILE HA H 3 4.166 4.065 0.101 1
1 20 . 5 1 1 A 3 3 ILE CA C 3 61.569 62.255 -0.686 1
1 21 . 5 1 1 A 3 3 ILE CB C 3 38.770 38.845 -0.075 1
1 25 . 5 1 1 A 3 3 ILE N N 3 124.520 126.435 -1.915 1
1 26 . 5 1 1 A 4 4 GLN H H 4 8.477 7.991 0.486 1
1 27 . 5 1 1 A 4 4 GLN HA H 4 4.291 3.947 0.344 1
1 34 . 5 1 1 A 4 4 GLN CA C 4 55.615 56.641 -1.026 1
1 35 . 5 1 1 A 4 4 GLN CB C 4 29.590 27.134 2.456 1
1 37 . 5 1 1 A 4 4 GLN N N 4 124.855 121.743 3.112 1
1 39 . 5 1 1 A 5 5 ALA H H 5 8.334 7.804 0.530 1
1 40 . 5 1 1 A 5 5 ALA HA H 5 4.568 4.639 -0.071 1
1 44 . 5 1 1 A 5 5 ALA CA C 5 50.464 50.150 0.314 1
1 45 . 5 1 1 A 5 5 ALA CB C 5 18.235 18.889 -0.654 1
1 46 . 5 1 1 A 5 5 ALA N N 5 127.159 125.934 1.225 1
1 47 . 5 1 1 A 6 6 PRO HA H 6 4.429 4.494 -0.065 1
1 53 . 5 1 1 A 6 6 PRO CA C 6 63.072 63.789 -0.717 1
1 54 . 5 1 1 A 6 6 PRO CB C 6 32.220 31.948 0.272 1
1 57 . 5 1 1 A 7 7 GLU H H 7 8.363 8.097 0.266 1
1 58 . 5 1 1 A 7 7 GLU HA H 7 4.280 4.499 -0.219 1
1 62 . 5 1 1 A 7 7 GLU CA C 7 56.298 55.741 0.557 1
1 63 . 5 1 1 A 7 7 GLU CB C 7 31.415 28.033 3.382 1
1 65 . 5 1 1 A 7 7 GLU N N 7 122.629 121.025 1.604 1
1 66 . 5 1 1 A 8 8 THR H H 8 8.219 8.642 -0.423 1
1 67 . 5 1 1 A 8 8 THR HA H 8 4.948 4.936 0.012 1
1 72 . 5 1 1 A 8 8 THR CA C 8 62.157 62.035 0.122 1
1 73 . 5 1 1 A 8 8 THR CB C 8 70.658 70.477 0.181 1
1 75 . 5 1 1 A 8 8 THR N N 8 119.082 121.304 -2.222 1
1 76 . 5 1 1 A 9 9 LYS H H 9 8.885 9.023 -0.138 1
1 77 . 5 1 1 A 9 9 LYS HA H 9 4.513 4.861 -0.348 1
1 86 . 5 1 1 A 9 9 LYS CA C 9 55.062 54.570 0.492 1
1 87 . 5 1 1 A 9 9 LYS CB C 9 35.316 35.384 -0.068 1
1 91 . 5 1 1 A 9 9 LYS N N 9 128.038 126.745 1.293 1
1 92 . 5 1 1 A 10 10 ILE H H 10 8.550 8.812 -0.262 1
1 93 . 5 1 1 A 10 10 ILE HA H 10 5.029 4.676 0.353 1
1 103 . 5 1 1 A 10 10 ILE CA C 10 59.908 59.947 -0.039 1
1 104 . 5 1 1 A 10 10 ILE CB C 10 37.184 37.503 -0.319 1
1 108 . 5 1 1 A 10 10 ILE N N 10 124.813 127.716 -2.903 1
1 109 . 5 1 1 A 11 11 VAL H H 11 9.253 9.073 0.180 1
1 110 . 5 1 1 A 11 11 VAL HA H 11 4.970 4.506 0.464 1
1 118 . 5 1 1 A 11 11 VAL CA C 11 59.300 61.185 -1.885 1
1 119 . 5 1 1 A 11 11 VAL CB C 11 35.700 34.439 1.261 1
1 122 . 5 1 1 A 11 11 VAL N N 11 121.581 128.093 -6.512 1
1 123 . 5 1 1 A 12 12 ASP H H 12 8.471 8.530 -0.059 1
1 124 . 5 1 1 A 12 12 ASP HA H 12 4.825 4.761 0.064 1
1 127 . 5 1 1 A 12 12 ASP CA C 12 53.836 54.922 -1.086 1
1 128 . 5 1 1 A 12 12 ASP CB C 12 41.671 41.389 0.282 1
1 129 . 5 1 1 A 12 12 ASP N N 12 118.084 124.605 -6.521 1
1 130 . 5 1 1 A 13 13 LYS H H 13 7.170 7.449 -0.279 1
1 131 . 5 1 1 A 13 13 LYS HA H 13 4.679 4.809 -0.130 1
1 140 . 5 1 1 A 13 13 LYS CA C 13 54.180 54.609 -0.429 1
1 141 . 5 1 1 A 13 13 LYS CB C 13 35.890 36.096 -0.206 1
1 145 . 5 1 1 A 13 13 LYS N N 13 117.300 119.026 -1.726 1
1 146 . 5 1 1 A 14 14 SER H H 14 8.254 8.627 -0.373 1
1 147 . 5 1 1 A 14 14 SER HA H 14 4.170 4.639 -0.469 1
1 150 . 5 1 1 A 14 14 SER CA C 14 60.024 59.162 0.862 1
1 151 . 5 1 1 A 14 14 SER CB C 14 63.593 63.894 -0.301 1
1 152 . 5 1 1 A 14 14 SER N N 14 111.308 115.898 -4.590 1
1 153 . 5 1 1 A 15 15 ARG H H 15 7.110 7.735 -0.625 1
1 154 . 5 1 1 A 15 15 ARG HA H 15 5.297 4.760 0.537 1
1 161 . 5 1 1 A 15 15 ARG CA C 15 55.163 55.813 -0.650 1
1 162 . 5 1 1 A 15 15 ARG CB C 15 31.260 31.104 0.156 1
1 165 . 5 1 1 A 15 15 ARG N N 15 121.362 120.945 0.417 1
1 166 . 5 1 1 A 16 16 VAL H H 16 8.809 8.818 -0.009 1
1 167 . 5 1 1 A 16 16 VAL HA H 16 4.450 4.482 -0.032 1
1 175 . 5 1 1 A 16 16 VAL CA C 16 59.600 60.320 -0.720 1
1 176 . 5 1 1 A 16 16 VAL CB C 16 35.800 34.496 1.304 1
1 179 . 5 1 1 A 16 16 VAL N N 16 124.300 124.228 0.072 1
1 180 . 5 1 1 A 17 17 ALA H H 17 8.009 8.483 -0.474 1
1 181 . 5 1 1 A 17 17 ALA HA H 17 4.322 4.506 -0.184 1
1 185 . 5 1 1 A 17 17 ALA CA C 17 49.691 49.662 0.029 1
1 186 . 5 1 1 A 17 17 ALA CB C 17 17.652 19.159 -1.507 1
1 187 . 5 1 1 A 17 17 ALA N N 17 127.911 128.343 -0.432 1
1 188 . 5 1 1 A 18 18 CYS H H 18 8.814 8.911 -0.097 1
1 189 . 5 1 1 A 18 18 CYS HA H 18 4.492 5.110 -0.618 1
1 192 . 5 1 1 A 18 18 CYS CA C 18 59.650 57.596 2.054 1
1 193 . 5 1 1 A 18 18 CYS CB C 18 31.882 31.215 0.667 1
1 194 . 5 1 1 A 18 18 CYS N N 18 123.363 121.674 1.689 1
1 195 . 5 1 1 A 19 19 ASP H H 19 8.528 9.064 -0.536 1
1 196 . 5 1 1 A 19 19 ASP HA H 19 4.489 4.966 -0.477 1
1 199 . 5 1 1 A 19 19 ASP CA C 19 53.107 53.288 -0.181 1
1 200 . 5 1 1 A 19 19 ASP CB C 19 42.346 41.618 0.728 1
1 201 . 5 1 1 A 19 19 ASP N N 19 128.758 120.910 7.848 1
1 202 . 5 1 1 A 20 20 GLY H H 20 9.037 7.915 1.122 1
1 203 . 5 1 1 A 20 20 GLY HA2 H 20 4.079 3.901 0.178 1
1 204 . 5 1 1 A 20 20 GLY HA3 H 20 3.906 4.086 -0.180 1
1 205 . 5 1 1 A 20 20 GLY CA C 20 45.894 45.639 0.255 1
1 206 . 5 1 1 A 20 20 GLY N N 20 115.047 109.050 5.997 1
1 207 . 5 1 1 A 21 21 GLY H H 21 7.336 7.873 -0.537 1
1 208 . 5 1 1 A 21 21 GLY HA2 H 21 4.246 3.480 0.766 1
1 209 . 5 1 1 A 21 21 GLY HA3 H 21 3.612 3.850 -0.238 1
1 210 . 5 1 1 A 21 21 GLY CA C 21 44.222 44.949 -0.727 1
1 211 . 5 1 1 A 21 21 GLY N N 21 109.000 111.171 -2.171 1
1 212 . 5 1 1 A 22 22 GLU H H 22 8.359 7.836 0.523 1
1 213 . 5 1 1 A 22 22 GLU HA H 22 4.192 4.460 -0.268 1
1 218 . 5 1 1 A 22 22 GLU CA C 22 56.200 55.566 0.634 1
1 219 . 5 1 1 A 22 22 GLU CB C 22 30.746 31.361 -0.615 1
1 221 . 5 1 1 A 22 22 GLU N N 22 118.322 120.698 -2.376 1
1 222 . 5 1 1 A 23 23 GLY H H 23 8.809 8.858 -0.049 1
1 223 . 5 1 1 A 23 23 GLY HA2 H 23 3.780 3.857 -0.077 1
1 224 . 5 1 1 A 23 23 GLY HA3 H 23 3.835 3.862 -0.027 1
1 225 . 5 1 1 A 23 23 GLY CA C 23 46.688 47.204 -0.516 1
1 226 . 5 1 1 A 23 23 GLY N N 23 111.934 110.532 1.402 1
1 227 . 5 1 1 A 24 24 ALA H H 24 8.995 8.557 0.438 1
1 228 . 5 1 1 A 24 24 ALA HA H 24 4.246 4.317 -0.071 1
1 232 . 5 1 1 A 24 24 ALA CA C 24 53.645 51.375 2.270 1
1 233 . 5 1 1 A 24 24 ALA CB C 24 18.641 18.472 0.169 1
1 234 . 5 1 1 A 24 24 ALA N N 24 129.183 129.028 0.155 1
1 235 . 5 1 1 A 25 25 LEU H H 25 7.780 8.255 -0.475 1
1 236 . 5 1 1 A 25 25 LEU HA H 25 4.407 3.760 0.647 1
1 246 . 5 1 1 A 25 25 LEU CA C 25 54.551 55.904 -1.353 1
1 247 . 5 1 1 A 25 25 LEU CB C 25 41.305 39.711 1.594 1
1 251 . 5 1 1 A 25 25 LEU N N 25 116.850 116.444 0.406 1
1 252 . 5 1 1 A 26 26 GLY H H 26 7.808 7.954 -0.146 1
1 253 . 5 1 1 A 26 26 GLY HA2 H 26 4.313 3.786 0.527 1
1 254 . 5 1 1 A 26 26 GLY HA3 H 26 3.685 3.955 -0.270 1
1 255 . 5 1 1 A 26 26 GLY CA C 26 45.895 44.636 1.259 1
1 256 . 5 1 1 A 26 26 GLY N N 26 110.392 107.749 2.643 1
1 257 . 5 1 1 A 27 27 HIS H H 27 7.626 8.099 -0.473 1
1 258 . 5 1 1 A 27 27 HIS HA H 27 4.999 4.055 0.944 1
1 263 . 5 1 1 A 27 27 HIS CA C 27 53.604 56.394 -2.790 1
1 264 . 5 1 1 A 27 27 HIS CB C 27 28.333 27.157 1.176 1
1 267 . 5 1 1 A 27 27 HIS N N 27 118.046 122.452 -4.406 1
1 268 . 5 1 1 A 28 28 PRO HA H 28 4.270 4.524 -0.254 1
1 275 . 5 1 1 A 28 28 PRO CA C 28 63.293 63.675 -0.382 1
1 276 . 5 1 1 A 28 28 PRO CB C 28 31.916 33.019 -1.103 1
1 279 . 5 1 1 A 29 29 ARG H H 29 8.464 7.666 0.798 1
1 280 . 5 1 1 A 29 29 ARG HA H 29 4.350 3.953 0.397 1
1 288 . 5 1 1 A 29 29 ARG CA C 29 58.043 57.026 1.017 1
1 289 . 5 1 1 A 29 29 ARG CB C 29 30.269 28.884 1.385 1
1 292 . 5 1 1 A 29 29 ARG N N 29 125.844 118.124 7.720 1
1 294 . 5 1 1 A 30 30 VAL H H 30 8.472 8.286 0.186 1
1 295 . 5 1 1 A 30 30 VAL HA H 30 4.540 5.055 -0.515 1
1 303 . 5 1 1 A 30 30 VAL CA C 30 59.500 59.813 -0.313 1
1 304 . 5 1 1 A 30 30 VAL CB C 30 35.700 34.385 1.315 1
1 307 . 5 1 1 A 30 30 VAL N N 30 125.322 117.831 7.491 1
1 308 . 5 1 1 A 31 31 TRP H H 31 8.648 9.093 -0.445 1
1 309 . 5 1 1 A 31 31 TRP HA H 31 4.864 5.402 -0.538 1
1 318 . 5 1 1 A 31 31 TRP CA C 31 56.885 55.175 1.710 1
1 319 . 5 1 1 A 31 31 TRP CB C 31 29.922 31.444 -1.522 1
1 325 . 5 1 1 A 31 31 TRP N N 31 125.162 122.888 2.274 1
1 327 . 5 1 1 A 32 32 LEU H H 32 9.634 9.153 0.481 1
1 328 . 5 1 1 A 32 32 LEU HA H 32 4.701 5.114 -0.413 1
1 338 . 5 1 1 A 32 32 LEU CA C 32 53.078 53.071 0.007 1
1 339 . 5 1 1 A 32 32 LEU CB C 32 44.467 44.587 -0.120 1
1 343 . 5 1 1 A 32 32 LEU N N 32 125.975 124.724 1.251 1
1 344 . 5 1 1 A 33 33 GLN H H 33 8.446 8.706 -0.260 1
1 345 . 5 1 1 A 33 33 GLN HA H 33 5.027 5.129 -0.102 1
1 352 . 5 1 1 A 33 33 GLN CA C 33 53.279 54.268 -0.989 1
1 353 . 5 1 1 A 33 33 GLN CB C 33 30.512 32.108 -1.596 1
1 355 . 5 1 1 A 33 33 GLN N N 33 121.000 121.064 -0.064 1
1 357 . 5 1 1 A 34 34 ILE H H 34 9.377 8.844 0.533 1
1 358 . 5 1 1 A 34 34 ILE HA H 34 3.900 4.163 -0.263 1
1 368 . 5 1 1 A 34 34 ILE CA C 34 60.335 60.260 0.075 1
1 369 . 5 1 1 A 34 34 ILE CB C 34 38.613 38.499 0.114 1
1 373 . 5 1 1 A 34 34 ILE N N 34 128.325 127.397 0.928 1
1 374 . 5 1 1 A 35 35 PRO HA H 35 4.471 4.778 -0.307 1
1 381 . 5 1 1 A 35 35 PRO CA C 35 62.744 62.313 0.431 1
1 382 . 5 1 1 A 35 35 PRO CB C 35 32.282 31.777 0.505 1
1 385 . 5 1 1 A 36 36 GLU H H 36 8.971 9.050 -0.079 1
1 386 . 5 1 1 A 36 36 GLU HA H 36 3.918 3.955 -0.037 1
1 391 . 5 1 1 A 36 36 GLU CA C 36 59.030 59.319 -0.289 1
1 392 . 5 1 1 A 36 36 GLU CB C 36 29.791 29.735 0.056 1
1 394 . 5 1 1 A 36 36 GLU N N 36 124.755 123.175 1.580 1
1 395 . 5 1 1 A 37 37 ASP H H 37 8.657 7.995 0.662 1
1 396 . 5 1 1 A 37 37 ASP HA H 37 4.421 4.469 -0.048 1
1 399 . 5 1 1 A 37 37 ASP CA C 37 55.552 56.756 -1.204 1
1 400 . 5 1 1 A 37 37 ASP CB C 37 39.824 40.961 -1.137 1
1 401 . 5 1 1 A 37 37 ASP N N 37 114.541 118.482 -3.941 1
1 402 . 5 1 1 A 38 38 THR H H 38 7.498 7.794 -0.296 1
1 403 . 5 1 1 A 38 38 THR HA H 38 4.415 4.358 0.057 1
1 408 . 5 1 1 A 38 38 THR CA C 38 62.748 62.376 0.372 1
1 409 . 5 1 1 A 38 38 THR CB C 38 69.280 70.113 -0.833 1
1 411 . 5 1 1 A 38 38 THR N N 38 109.405 108.564 0.841 1
1 412 . 5 1 1 A 39 39 GLY H H 39 7.967 8.453 -0.486 1
1 413 . 5 1 1 A 39 39 GLY HA2 H 39 4.446 4.021 0.425 1
1 414 . 5 1 1 A 39 39 GLY HA3 H 39 3.619 4.079 -0.460 1
1 415 . 5 1 1 A 39 39 GLY CA C 39 46.428 45.196 1.232 1
1 416 . 5 1 1 A 39 39 GLY N N 39 108.005 110.489 -2.484 1
1 417 . 5 1 1 A 40 40 TRP H H 40 7.442 6.882 0.560 1
1 418 . 5 1 1 A 40 40 TRP HA H 40 5.960 5.432 0.528 1
1 427 . 5 1 1 A 40 40 TRP CA C 40 54.581 55.817 -1.236 1
1 428 . 5 1 1 A 40 40 TRP CB C 40 33.231 31.330 1.901 1
1 434 . 5 1 1 A 40 40 TRP N N 40 114.404 116.730 -2.326 1
1 436 . 5 1 1 A 41 41 VAL H H 41 9.317 8.845 0.472 1
1 437 . 5 1 1 A 41 41 VAL HA H 41 4.260 4.771 -0.511 1
1 445 . 5 1 1 A 41 41 VAL CA C 41 60.900 60.680 0.220 1
1 446 . 5 1 1 A 41 41 VAL CB C 41 36.400 35.376 1.024 1
1 449 . 5 1 1 A 41 41 VAL N N 41 119.203 121.006 -1.803 1
1 450 . 5 1 1 A 42 42 GLU H H 42 8.635 9.129 -0.494 1
1 451 . 5 1 1 A 42 42 GLU HA H 42 5.559 5.248 0.311 1
1 456 . 5 1 1 A 42 42 GLU CA C 42 53.676 55.231 -1.555 1
1 457 . 5 1 1 A 42 42 GLU CB C 42 32.534 32.416 0.118 1
1 459 . 5 1 1 A 42 42 GLU N N 42 125.457 126.716 -1.259 1
1 460 . 5 1 1 A 43 43 CYS H H 43 9.018 8.801 0.217 1
1 461 . 5 1 1 A 43 43 CYS HA H 43 4.710 4.769 -0.059 1
1 464 . 5 1 1 A 43 43 CYS CA C 43 56.955 56.672 0.283 1
1 465 . 5 1 1 A 43 43 CYS CB C 43 31.650 29.026 2.624 1
1 466 . 5 1 1 A 43 43 CYS N N 43 127.165 122.308 4.857 1
1 467 . 5 1 1 A 44 44 PRO HA H 44 4.455 4.402 0.053 1
1 474 . 5 1 1 A 44 44 PRO CA C 44 64.002 64.206 -0.204 1
1 475 . 5 1 1 A 44 44 PRO CB C 44 31.979 31.663 0.316 1
1 478 . 5 1 1 A 45 45 TYR H H 45 9.205 8.246 0.959 1
1 479 . 5 1 1 A 45 45 TYR HA H 45 4.477 4.390 0.087 1
1 486 . 5 1 1 A 45 45 TYR CA C 45 59.357 60.525 -1.168 1
1 487 . 5 1 1 A 45 45 TYR CB C 45 38.009 38.701 -0.692 1
1 492 . 5 1 1 A 45 45 TYR N N 45 120.751 117.411 3.340 1
1 493 . 5 1 1 A 46 46 CYS H H 46 8.097 8.027 0.070 1
1 494 . 5 1 1 A 46 46 CYS HA H 46 5.092 4.914 0.178 1
1 497 . 5 1 1 A 46 46 CYS CA C 46 58.497 59.023 -0.526 1
1 498 . 5 1 1 A 46 46 CYS CB C 46 32.055 28.490 3.565 1
1 499 . 5 1 1 A 46 46 CYS N N 46 117.233 115.958 1.275 1
1 500 . 5 1 1 A 47 47 ASP H H 47 7.967 8.895 -0.928 1
1 501 . 5 1 1 A 47 47 ASP HA H 47 4.629 4.947 -0.318 1
1 504 . 5 1 1 A 47 47 ASP CA C 47 56.076 55.560 0.516 1
1 505 . 5 1 1 A 47 47 ASP CB C 47 39.369 42.049 -2.680 1
1 506 . 5 1 1 A 47 47 ASP N N 47 118.439 123.902 -5.463 1
1 507 . 5 1 1 A 48 48 CYS H H 48 8.364 7.913 0.451 1
1 508 . 5 1 1 A 48 48 CYS HA H 48 4.175 4.591 -0.416 1
1 511 . 5 1 1 A 48 48 CYS CA C 48 61.629 58.027 3.602 1
1 512 . 5 1 1 A 48 48 CYS CB C 48 28.528 29.833 -1.305 1
1 513 . 5 1 1 A 48 48 CYS N N 48 121.540 113.170 8.370 1
1 514 . 5 1 1 A 49 49 LYS H H 49 8.542 8.781 -0.239 1
1 515 . 5 1 1 A 49 49 LYS HA H 49 4.956 4.984 -0.028 1
1 524 . 5 1 1 A 49 49 LYS CA C 49 55.388 54.765 0.623 1
1 525 . 5 1 1 A 49 49 LYS CB C 49 34.179 34.477 -0.298 1
1 529 . 5 1 1 A 49 49 LYS N N 49 129.258 122.410 6.848 1
1 530 . 5 1 1 A 50 50 TYR H H 50 9.320 9.414 -0.094 1
1 531 . 5 1 1 A 50 50 TYR HA H 50 5.264 5.352 -0.088 1
1 538 . 5 1 1 A 50 50 TYR CA C 50 57.636 57.075 0.561 1
1 539 . 5 1 1 A 50 50 TYR CB C 50 40.412 39.048 1.364 1
1 544 . 5 1 1 A 50 50 TYR N N 50 125.926 127.346 -1.420 1
1 545 . 5 1 1 A 51 51 VAL H H 51 8.925 9.205 -0.280 1
1 546 . 5 1 1 A 51 51 VAL HA H 51 4.824 4.566 0.258 1
1 554 . 5 1 1 A 51 51 VAL CA C 51 59.968 61.992 -2.024 1
1 555 . 5 1 1 A 51 51 VAL CB C 51 35.624 33.174 2.450 1
1 558 . 5 1 1 A 51 51 VAL N N 51 122.631 125.126 -2.495 1
1 559 . 5 1 1 A 52 52 LEU H H 52 8.771 8.892 -0.121 1
1 560 . 5 1 1 A 52 52 LEU HA H 52 4.496 4.795 -0.299 1
1 570 . 5 1 1 A 52 52 LEU CA C 52 54.163 54.991 -0.828 1
1 571 . 5 1 1 A 52 52 LEU CB C 52 43.220 43.071 0.149 1
1 575 . 5 1 1 A 52 52 LEU N N 52 127.249 129.897 -2.648 1
1 576 . 5 1 1 A 53 53 LYS H H 53 9.317 9.013 0.304 1
1 577 . 5 1 1 A 53 53 LYS HA H 53 4.028 4.115 -0.087 1
1 586 . 5 1 1 A 53 53 LYS CA C 53 57.885 58.038 -0.153 1
1 587 . 5 1 1 A 53 53 LYS CB C 53 32.819 32.545 0.274 1
1 591 . 5 1 1 A 53 53 LYS N N 53 132.446 127.826 4.620 1
1 592 . 5 1 1 A 54 54 GLY H H 54 10.642 8.655 1.987 1
1 593 . 5 1 1 A 54 54 GLY HA2 H 54 4.195 4.026 0.169 1
1 594 . 5 1 1 A 54 54 GLY HA3 H 54 3.817 4.028 -0.211 1
1 595 . 5 1 1 A 54 54 GLY CA C 54 45.390 46.570 -1.180 1
1 596 . 5 1 1 A 54 54 GLY N N 54 117.440 114.580 2.860 1
1 597 . 5 1 1 A 55 55 SER H H 55 7.996 8.075 -0.079 1
1 598 . 5 1 1 A 55 55 SER HA H 55 4.623 4.788 -0.165 1
1 601 . 5 1 1 A 55 55 SER CA C 55 58.553 56.065 2.488 1
1 602 . 5 1 1 A 55 55 SER CB C 55 66.037 65.050 0.987 1
1 603 . 5 1 1 A 55 55 SER N N 55 115.895 113.708 2.187 1
1 604 . 5 1 1 A 56 56 LYS H H 56 9.018 8.757 0.261 1
1 605 . 5 1 1 A 56 56 LYS HA H 56 4.115 4.600 -0.485 1
1 614 . 5 1 1 A 56 56 LYS CA C 56 58.716 56.591 2.125 1
1 615 . 5 1 1 A 56 56 LYS CB C 56 32.311 32.544 -0.233 1
1 619 . 5 1 1 A 56 56 LYS N N 56 120.334 122.616 -2.282 1
1 620 . 5 1 1 A 57 57 ALA H H 57 7.590 8.081 -0.491 1
1 621 . 5 1 1 A 57 57 ALA HA H 57 4.318 4.700 -0.382 1
1 625 . 5 1 1 A 57 57 ALA CA C 57 53.124 52.693 0.431 1
1 626 . 5 1 1 A 57 57 ALA CB C 57 20.015 21.521 -1.506 1
1 627 . 5 1 1 A 57 57 ALA N N 57 119.501 120.581 -1.080 1
1 628 . 5 1 1 A 58 58 ASP H H 58 7.588 8.251 -0.663 1
1 629 . 5 1 1 A 58 58 ASP HA H 58 4.441 4.633 -0.192 1
1 632 . 5 1 1 A 58 58 ASP CA C 58 54.193 53.962 0.231 1
1 633 . 5 1 1 A 58 58 ASP CB C 58 41.066 39.705 1.361 1
1 634 . 5 1 1 A 58 58 ASP N N 58 120.195 115.619 4.576 1
1 635 . 5 1 1 A 59 59 ALA H H 59 7.840 8.458 -0.618 1
1 636 . 5 1 1 A 59 59 ALA HA H 59 4.188 4.576 -0.388 1
1 640 . 5 1 1 A 59 59 ALA CA C 59 53.326 51.616 1.710 1
1 641 . 5 1 1 A 59 59 ALA CB C 59 19.094 18.931 0.163 1
1 642 . 5 1 1 A 59 59 ALA N N 59 124.358 123.493 0.865 1
1 643 . 5 1 1 A 60 60 LEU H H 60 8.078 7.339 0.739 1
1 644 . 5 1 1 A 60 60 LEU HA H 60 4.100 4.625 -0.525 1
1 654 . 5 1 1 A 60 60 LEU CA C 60 56.210 54.298 1.912 1
1 655 . 5 1 1 A 60 60 LEU CB C 60 41.973 40.413 1.560 1
1 659 . 5 1 1 A 60 60 LEU N N 60 119.688 121.147 -1.459 1
1 660 . 5 1 1 A 61 61 GLU H H 61 8.042 8.660 -0.618 1
1 661 . 5 1 1 A 61 61 GLU HA H 61 4.072 4.713 -0.641 1
1 666 . 5 1 1 A 61 61 GLU CA C 61 56.896 56.058 0.838 1
1 667 . 5 1 1 A 61 61 GLU CB C 61 29.776 29.181 0.595 1
1 669 . 5 1 1 A 61 61 GLU N N 61 119.804 124.567 -4.763 1
1 670 . 5 1 1 A 62 62 HIS H H 62 8.153 8.430 -0.277 1
1 671 . 5 1 1 A 62 62 HIS HA H 62 4.610 5.067 -0.457 1
1 674 . 5 1 1 A 62 62 HIS CA C 62 56.131 54.532 1.599 1
1 675 . 5 1 1 A 62 62 HIS CB C 62 29.250 31.145 -1.895 1
1 676 . 5 1 1 A 62 62 HIS N N 62 117.955 122.440 -4.485 1
1 677 . 5 1 1 A 63 63 HIS H H 63 8.324 9.130 -0.806 1
1 678 . 5 1 1 A 63 63 HIS HA H 63 4.520 5.054 -0.534 1
1 681 . 5 1 1 A 63 63 HIS CA C 63 57.194 54.813 2.381 1
1 682 . 5 1 1 A 63 63 HIS CB C 63 29.761 28.863 0.898 1
1 1 . 6 1 1 A 2 2 THR HA H 2 3.902 4.378 -0.476 1
1 6 . 6 1 1 A 2 2 THR CA C 2 61.460 61.793 -0.333 1
1 7 . 6 1 1 A 2 2 THR CB C 2 69.379 69.807 -0.428 1
1 9 . 6 1 1 A 3 3 ILE H H 3 8.671 8.278 0.393 1
1 10 . 6 1 1 A 3 3 ILE HA H 3 4.166 4.117 0.049 1
1 20 . 6 1 1 A 3 3 ILE CA C 3 61.569 61.021 0.548 1
1 21 . 6 1 1 A 3 3 ILE CB C 3 38.770 37.019 1.751 1
1 25 . 6 1 1 A 3 3 ILE N N 3 124.520 122.385 2.135 1
1 26 . 6 1 1 A 4 4 GLN H H 4 8.477 8.371 0.106 1
1 27 . 6 1 1 A 4 4 GLN HA H 4 4.291 4.152 0.139 1
1 34 . 6 1 1 A 4 4 GLN CA C 4 55.615 56.473 -0.858 1
1 35 . 6 1 1 A 4 4 GLN CB C 4 29.590 27.479 2.111 1
1 37 . 6 1 1 A 4 4 GLN N N 4 124.855 122.404 2.451 1
1 39 . 6 1 1 A 5 5 ALA H H 5 8.334 7.740 0.594 1
1 40 . 6 1 1 A 5 5 ALA HA H 5 4.568 4.188 0.380 1
1 44 . 6 1 1 A 5 5 ALA CA C 5 50.464 56.594 -6.130 1
1 45 . 6 1 1 A 5 5 ALA CB C 5 18.235 18.418 -0.183 1
1 46 . 6 1 1 A 5 5 ALA N N 5 127.159 122.747 4.412 1
1 47 . 6 1 1 A 6 6 PRO HA H 6 4.429 4.359 0.070 1
1 53 . 6 1 1 A 6 6 PRO CA C 6 63.072 63.267 -0.195 1
1 54 . 6 1 1 A 6 6 PRO CB C 6 32.220 31.646 0.574 1
1 57 . 6 1 1 A 7 7 GLU H H 7 8.363 8.296 0.067 1
1 58 . 6 1 1 A 7 7 GLU HA H 7 4.280 4.211 0.069 1
1 62 . 6 1 1 A 7 7 GLU CA C 7 56.298 56.160 0.138 1
1 63 . 6 1 1 A 7 7 GLU CB C 7 31.415 29.212 2.203 1
1 65 . 6 1 1 A 7 7 GLU N N 7 122.629 120.760 1.869 1
1 66 . 6 1 1 A 8 8 THR H H 8 8.219 7.512 0.707 1
1 67 . 6 1 1 A 8 8 THR HA H 8 4.948 5.224 -0.276 1
1 72 . 6 1 1 A 8 8 THR CA C 8 62.157 61.438 0.719 1
1 73 . 6 1 1 A 8 8 THR CB C 8 70.658 71.269 -0.611 1
1 75 . 6 1 1 A 8 8 THR N N 8 119.082 115.708 3.374 1
1 76 . 6 1 1 A 9 9 LYS H H 9 8.885 8.833 0.052 1
1 77 . 6 1 1 A 9 9 LYS HA H 9 4.513 5.026 -0.513 1
1 86 . 6 1 1 A 9 9 LYS CA C 9 55.062 54.814 0.248 1
1 87 . 6 1 1 A 9 9 LYS CB C 9 35.316 36.199 -0.883 1
1 91 . 6 1 1 A 9 9 LYS N N 9 128.038 123.934 4.104 1
1 92 . 6 1 1 A 10 10 ILE H H 10 8.550 8.606 -0.056 1
1 93 . 6 1 1 A 10 10 ILE HA H 10 5.029 4.727 0.302 1
1 103 . 6 1 1 A 10 10 ILE CA C 10 59.908 60.546 -0.638 1
1 104 . 6 1 1 A 10 10 ILE CB C 10 37.184 37.393 -0.209 1
1 108 . 6 1 1 A 10 10 ILE N N 10 124.813 123.820 0.993 1
1 109 . 6 1 1 A 11 11 VAL H H 11 9.253 9.372 -0.119 1
1 110 . 6 1 1 A 11 11 VAL HA H 11 4.970 4.897 0.073 1
1 118 . 6 1 1 A 11 11 VAL CA C 11 59.300 59.207 0.093 1
1 119 . 6 1 1 A 11 11 VAL CB C 11 35.700 34.820 0.880 1
1 122 . 6 1 1 A 11 11 VAL N N 11 121.581 124.678 -3.097 1
1 123 . 6 1 1 A 12 12 ASP H H 12 8.471 8.802 -0.331 1
1 124 . 6 1 1 A 12 12 ASP HA H 12 4.825 4.746 0.079 1
1 127 . 6 1 1 A 12 12 ASP CA C 12 53.836 55.921 -2.085 1
1 128 . 6 1 1 A 12 12 ASP CB C 12 41.671 42.956 -1.285 1
1 129 . 6 1 1 A 12 12 ASP N N 12 118.084 121.015 -2.931 1
1 130 . 6 1 1 A 13 13 LYS H H 13 7.170 7.654 -0.484 1
1 131 . 6 1 1 A 13 13 LYS HA H 13 4.679 4.773 -0.094 1
1 140 . 6 1 1 A 13 13 LYS CA C 13 54.180 54.733 -0.553 1
1 141 . 6 1 1 A 13 13 LYS CB C 13 35.890 35.726 0.164 1
1 145 . 6 1 1 A 13 13 LYS N N 13 117.300 118.313 -1.013 1
1 146 . 6 1 1 A 14 14 SER H H 14 8.254 8.689 -0.435 1
1 147 . 6 1 1 A 14 14 SER HA H 14 4.170 4.461 -0.291 1
1 150 . 6 1 1 A 14 14 SER CA C 14 60.024 60.329 -0.305 1
1 151 . 6 1 1 A 14 14 SER CB C 14 63.593 63.549 0.044 1
1 152 . 6 1 1 A 14 14 SER N N 14 111.308 115.514 -4.206 1
1 153 . 6 1 1 A 15 15 ARG H H 15 7.110 7.859 -0.749 1
1 154 . 6 1 1 A 15 15 ARG HA H 15 5.297 4.849 0.448 1
1 161 . 6 1 1 A 15 15 ARG CA C 15 55.163 55.986 -0.823 1
1 162 . 6 1 1 A 15 15 ARG CB C 15 31.260 31.427 -0.167 1
1 165 . 6 1 1 A 15 15 ARG N N 15 121.362 120.724 0.638 1
1 166 . 6 1 1 A 16 16 VAL H H 16 8.809 9.115 -0.306 1
1 167 . 6 1 1 A 16 16 VAL HA H 16 4.450 4.340 0.110 1
1 175 . 6 1 1 A 16 16 VAL CA C 16 59.600 61.008 -1.408 1
1 176 . 6 1 1 A 16 16 VAL CB C 16 35.800 32.971 2.829 1
1 179 . 6 1 1 A 16 16 VAL N N 16 124.300 125.312 -1.012 1
1 180 . 6 1 1 A 17 17 ALA H H 17 8.009 8.576 -0.567 1
1 181 . 6 1 1 A 17 17 ALA HA H 17 4.322 4.600 -0.278 1
1 185 . 6 1 1 A 17 17 ALA CA C 17 49.691 49.994 -0.303 1
1 186 . 6 1 1 A 17 17 ALA CB C 17 17.652 19.330 -1.678 1
1 187 . 6 1 1 A 17 17 ALA N N 17 127.911 129.847 -1.936 1
1 188 . 6 1 1 A 18 18 CYS H H 18 8.814 8.931 -0.117 1
1 189 . 6 1 1 A 18 18 CYS HA H 18 4.492 5.293 -0.801 1
1 192 . 6 1 1 A 18 18 CYS CA C 18 59.650 57.061 2.589 1
1 193 . 6 1 1 A 18 18 CYS CB C 18 31.882 28.987 2.895 1
1 194 . 6 1 1 A 18 18 CYS N N 18 123.363 122.919 0.444 1
1 195 . 6 1 1 A 19 19 ASP H H 19 8.528 8.941 -0.413 1
1 196 . 6 1 1 A 19 19 ASP HA H 19 4.489 4.723 -0.234 1
1 199 . 6 1 1 A 19 19 ASP CA C 19 53.107 56.087 -2.980 1
1 200 . 6 1 1 A 19 19 ASP CB C 19 42.346 40.894 1.452 1
1 201 . 6 1 1 A 19 19 ASP N N 19 128.758 125.362 3.396 1
1 202 . 6 1 1 A 20 20 GLY H H 20 9.037 7.522 1.515 1
1 203 . 6 1 1 A 20 20 GLY HA2 H 20 4.079 3.934 0.145 1
1 204 . 6 1 1 A 20 20 GLY HA3 H 20 3.906 4.010 -0.104 1
1 205 . 6 1 1 A 20 20 GLY CA C 20 45.894 45.402 0.492 1
1 206 . 6 1 1 A 20 20 GLY N N 20 115.047 103.399 11.648 1
1 207 . 6 1 1 A 21 21 GLY H H 21 7.336 8.624 -1.288 1
1 208 . 6 1 1 A 21 21 GLY HA2 H 21 4.246 4.038 0.208 1
1 209 . 6 1 1 A 21 21 GLY HA3 H 21 3.612 4.044 -0.432 1
1 210 . 6 1 1 A 21 21 GLY CA C 21 44.222 45.051 -0.829 1
1 211 . 6 1 1 A 21 21 GLY N N 21 109.000 107.063 1.937 1
1 212 . 6 1 1 A 22 22 GLU H H 22 8.359 7.649 0.710 1
1 213 . 6 1 1 A 22 22 GLU HA H 22 4.192 4.502 -0.310 1
1 218 . 6 1 1 A 22 22 GLU CA C 22 56.200 55.500 0.700 1
1 219 . 6 1 1 A 22 22 GLU CB C 22 30.746 30.900 -0.154 1
1 221 . 6 1 1 A 22 22 GLU N N 22 118.322 119.988 -1.666 1
1 222 . 6 1 1 A 23 23 GLY H H 23 8.809 8.630 0.179 1
1 223 . 6 1 1 A 23 23 GLY HA2 H 23 3.780 3.747 0.033 1
1 224 . 6 1 1 A 23 23 GLY HA3 H 23 3.835 3.751 0.084 1
1 225 . 6 1 1 A 23 23 GLY CA C 23 46.688 47.372 -0.684 1
1 226 . 6 1 1 A 23 23 GLY N N 23 111.934 110.006 1.928 1
1 227 . 6 1 1 A 24 24 ALA H H 24 8.995 7.536 1.459 1
1 228 . 6 1 1 A 24 24 ALA HA H 24 4.246 4.376 -0.130 1
1 232 . 6 1 1 A 24 24 ALA CA C 24 53.645 51.480 2.165 1
1 233 . 6 1 1 A 24 24 ALA CB C 24 18.641 18.206 0.435 1
1 234 . 6 1 1 A 24 24 ALA N N 24 129.183 122.635 6.548 1
1 235 . 6 1 1 A 25 25 LEU H H 25 7.780 8.308 -0.528 1
1 236 . 6 1 1 A 25 25 LEU HA H 25 4.407 3.918 0.489 1
1 246 . 6 1 1 A 25 25 LEU CA C 25 54.551 56.652 -2.101 1
1 247 . 6 1 1 A 25 25 LEU CB C 25 41.305 40.366 0.939 1
1 251 . 6 1 1 A 25 25 LEU N N 25 116.850 114.750 2.100 1
1 252 . 6 1 1 A 26 26 GLY H H 26 7.808 8.409 -0.601 1
1 253 . 6 1 1 A 26 26 GLY HA2 H 26 4.313 3.618 0.695 1
1 254 . 6 1 1 A 26 26 GLY HA3 H 26 3.685 3.861 -0.176 1
1 255 . 6 1 1 A 26 26 GLY CA C 26 45.895 46.386 -0.491 1
1 256 . 6 1 1 A 26 26 GLY N N 26 110.392 106.239 4.153 1
1 257 . 6 1 1 A 27 27 HIS H H 27 7.626 7.526 0.100 1
1 258 . 6 1 1 A 27 27 HIS HA H 27 4.999 5.148 -0.149 1
1 263 . 6 1 1 A 27 27 HIS CA C 27 53.604 53.448 0.156 1
1 264 . 6 1 1 A 27 27 HIS CB C 27 28.333 31.069 -2.736 1
1 267 . 6 1 1 A 27 27 HIS N N 27 118.046 119.778 -1.732 1
1 268 . 6 1 1 A 28 28 PRO HA H 28 4.270 4.276 -0.006 1
1 275 . 6 1 1 A 28 28 PRO CA C 28 63.293 63.607 -0.314 1
1 276 . 6 1 1 A 28 28 PRO CB C 28 31.916 31.418 0.498 1
1 279 . 6 1 1 A 29 29 ARG H H 29 8.464 8.504 -0.040 1
1 280 . 6 1 1 A 29 29 ARG HA H 29 4.350 3.928 0.422 1
1 288 . 6 1 1 A 29 29 ARG CA C 29 58.043 56.986 1.057 1
1 289 . 6 1 1 A 29 29 ARG CB C 29 30.269 28.843 1.426 1
1 292 . 6 1 1 A 29 29 ARG N N 29 125.844 123.039 2.805 1
1 294 . 6 1 1 A 30 30 VAL H H 30 8.472 8.109 0.363 1
1 295 . 6 1 1 A 30 30 VAL HA H 30 4.540 5.071 -0.531 1
1 303 . 6 1 1 A 30 30 VAL CA C 30 59.500 59.575 -0.075 1
1 304 . 6 1 1 A 30 30 VAL CB C 30 35.700 35.136 0.564 1
1 307 . 6 1 1 A 30 30 VAL N N 30 125.322 125.012 0.310 1
1 308 . 6 1 1 A 31 31 TRP H H 31 8.648 9.060 -0.412 1
1 309 . 6 1 1 A 31 31 TRP HA H 31 4.864 5.494 -0.630 1
1 318 . 6 1 1 A 31 31 TRP CA C 31 56.885 55.568 1.317 1
1 319 . 6 1 1 A 31 31 TRP CB C 31 29.922 30.822 -0.900 1
1 325 . 6 1 1 A 31 31 TRP N N 31 125.162 128.963 -3.801 1
1 327 . 6 1 1 A 32 32 LEU H H 32 9.634 9.415 0.219 1
1 328 . 6 1 1 A 32 32 LEU HA H 32 4.701 5.156 -0.455 1
1 338 . 6 1 1 A 32 32 LEU CA C 32 53.078 53.475 -0.397 1
1 339 . 6 1 1 A 32 32 LEU CB C 32 44.467 45.729 -1.262 1
1 343 . 6 1 1 A 32 32 LEU N N 32 125.975 124.637 1.338 1
1 344 . 6 1 1 A 33 33 GLN H H 33 8.446 8.798 -0.352 1
1 345 . 6 1 1 A 33 33 GLN HA H 33 5.027 5.165 -0.138 1
1 352 . 6 1 1 A 33 33 GLN CA C 33 53.279 54.146 -0.867 1
1 353 . 6 1 1 A 33 33 GLN CB C 33 30.512 31.971 -1.459 1
1 355 . 6 1 1 A 33 33 GLN N N 33 121.000 121.161 -0.161 1
1 357 . 6 1 1 A 34 34 ILE H H 34 9.377 8.629 0.748 1
1 358 . 6 1 1 A 34 34 ILE HA H 34 3.900 4.474 -0.574 1
1 368 . 6 1 1 A 34 34 ILE CA C 34 60.335 58.991 1.344 1
1 369 . 6 1 1 A 34 34 ILE CB C 34 38.613 38.168 0.445 1
1 373 . 6 1 1 A 34 34 ILE N N 34 128.325 126.859 1.466 1
1 374 . 6 1 1 A 35 35 PRO HA H 35 4.471 4.813 -0.342 1
1 381 . 6 1 1 A 35 35 PRO CA C 35 62.744 62.202 0.542 1
1 382 . 6 1 1 A 35 35 PRO CB C 35 32.282 31.746 0.536 1
1 385 . 6 1 1 A 36 36 GLU H H 36 8.971 9.022 -0.051 1
1 386 . 6 1 1 A 36 36 GLU HA H 36 3.918 3.946 -0.028 1
1 391 . 6 1 1 A 36 36 GLU CA C 36 59.030 59.643 -0.613 1
1 392 . 6 1 1 A 36 36 GLU CB C 36 29.791 29.409 0.382 1
1 394 . 6 1 1 A 36 36 GLU N N 36 124.755 123.196 1.559 1
1 395 . 6 1 1 A 37 37 ASP H H 37 8.657 8.651 0.006 1
1 396 . 6 1 1 A 37 37 ASP HA H 37 4.421 4.348 0.073 1
1 399 . 6 1 1 A 37 37 ASP CA C 37 55.552 56.769 -1.217 1
1 400 . 6 1 1 A 37 37 ASP CB C 37 39.824 39.461 0.363 1
1 401 . 6 1 1 A 37 37 ASP N N 37 114.541 117.290 -2.749 1
1 402 . 6 1 1 A 38 38 THR H H 38 7.498 7.364 0.134 1
1 403 . 6 1 1 A 38 38 THR HA H 38 4.415 4.360 0.055 1
1 408 . 6 1 1 A 38 38 THR CA C 38 62.748 62.553 0.195 1
1 409 . 6 1 1 A 38 38 THR CB C 38 69.280 70.028 -0.748 1
1 411 . 6 1 1 A 38 38 THR N N 38 109.405 107.858 1.547 1
1 412 . 6 1 1 A 39 39 GLY H H 39 7.967 8.922 -0.955 1
1 413 . 6 1 1 A 39 39 GLY HA2 H 39 4.446 3.921 0.525 1
1 414 . 6 1 1 A 39 39 GLY HA3 H 39 3.619 3.992 -0.373 1
1 415 . 6 1 1 A 39 39 GLY CA C 39 46.428 45.382 1.046 1
1 416 . 6 1 1 A 39 39 GLY N N 39 108.005 110.859 -2.854 1
1 417 . 6 1 1 A 40 40 TRP H H 40 7.442 7.184 0.258 1
1 418 . 6 1 1 A 40 40 TRP HA H 40 5.960 5.592 0.368 1
1 427 . 6 1 1 A 40 40 TRP CA C 40 54.581 55.761 -1.180 1
1 428 . 6 1 1 A 40 40 TRP CB C 40 33.231 31.532 1.699 1
1 434 . 6 1 1 A 40 40 TRP N N 40 114.404 116.758 -2.354 1
1 436 . 6 1 1 A 41 41 VAL H H 41 9.317 9.119 0.198 1
1 437 . 6 1 1 A 41 41 VAL HA H 41 4.260 4.870 -0.610 1
1 445 . 6 1 1 A 41 41 VAL CA C 41 60.900 60.142 0.758 1
1 446 . 6 1 1 A 41 41 VAL CB C 41 36.400 36.069 0.331 1
1 449 . 6 1 1 A 41 41 VAL N N 41 119.203 121.395 -2.192 1
1 450 . 6 1 1 A 42 42 GLU H H 42 8.635 8.952 -0.317 1
1 451 . 6 1 1 A 42 42 GLU HA H 42 5.559 5.381 0.178 1
1 456 . 6 1 1 A 42 42 GLU CA C 42 53.676 54.814 -1.138 1
1 457 . 6 1 1 A 42 42 GLU CB C 42 32.534 32.636 -0.102 1
1 459 . 6 1 1 A 42 42 GLU N N 42 125.457 125.952 -0.495 1
1 460 . 6 1 1 A 43 43 CYS H H 43 9.018 8.903 0.115 1
1 461 . 6 1 1 A 43 43 CYS HA H 43 4.710 4.645 0.065 1
1 464 . 6 1 1 A 43 43 CYS CA C 43 56.955 56.761 0.194 1
1 465 . 6 1 1 A 43 43 CYS CB C 43 31.650 29.010 2.640 1
1 466 . 6 1 1 A 43 43 CYS N N 43 127.165 123.658 3.507 1
1 467 . 6 1 1 A 44 44 PRO HA H 44 4.455 4.242 0.213 1
1 474 . 6 1 1 A 44 44 PRO CA C 44 64.002 64.659 -0.657 1
1 475 . 6 1 1 A 44 44 PRO CB C 44 31.979 31.311 0.668 1
1 478 . 6 1 1 A 45 45 TYR H H 45 9.205 8.156 1.049 1
1 479 . 6 1 1 A 45 45 TYR HA H 45 4.477 4.872 -0.395 1
1 486 . 6 1 1 A 45 45 TYR CA C 45 59.357 57.799 1.558 1
1 487 . 6 1 1 A 45 45 TYR CB C 45 38.009 38.892 -0.883 1
1 492 . 6 1 1 A 45 45 TYR N N 45 120.751 114.642 6.109 1
1 493 . 6 1 1 A 46 46 CYS H H 46 8.097 7.796 0.301 1
1 494 . 6 1 1 A 46 46 CYS HA H 46 5.092 4.848 0.244 1
1 497 . 6 1 1 A 46 46 CYS CA C 46 58.497 58.715 -0.218 1
1 498 . 6 1 1 A 46 46 CYS CB C 46 32.055 29.488 2.567 1
1 499 . 6 1 1 A 46 46 CYS N N 46 117.233 120.274 -3.041 1
1 500 . 6 1 1 A 47 47 ASP H H 47 7.967 8.289 -0.322 1
1 501 . 6 1 1 A 47 47 ASP HA H 47 4.629 4.266 0.363 1
1 504 . 6 1 1 A 47 47 ASP CA C 47 56.076 55.595 0.481 1
1 505 . 6 1 1 A 47 47 ASP CB C 47 39.369 39.466 -0.097 1
1 506 . 6 1 1 A 47 47 ASP N N 47 118.439 118.793 -0.354 1
1 507 . 6 1 1 A 48 48 CYS H H 48 8.364 7.858 0.506 1
1 508 . 6 1 1 A 48 48 CYS HA H 48 4.175 4.724 -0.549 1
1 511 . 6 1 1 A 48 48 CYS CA C 48 61.629 57.668 3.961 1
1 512 . 6 1 1 A 48 48 CYS CB C 48 28.528 29.456 -0.928 1
1 513 . 6 1 1 A 48 48 CYS N N 48 121.540 117.397 4.143 1
1 514 . 6 1 1 A 49 49 LYS H H 49 8.542 8.429 0.113 1
1 515 . 6 1 1 A 49 49 LYS HA H 49 4.956 5.089 -0.133 1
1 524 . 6 1 1 A 49 49 LYS CA C 49 55.388 54.858 0.530 1
1 525 . 6 1 1 A 49 49 LYS CB C 49 34.179 34.482 -0.303 1
1 529 . 6 1 1 A 49 49 LYS N N 49 129.258 124.536 4.722 1
1 530 . 6 1 1 A 50 50 TYR H H 50 9.320 9.420 -0.100 1
1 531 . 6 1 1 A 50 50 TYR HA H 50 5.264 5.413 -0.149 1
1 538 . 6 1 1 A 50 50 TYR CA C 50 57.636 56.537 1.099 1
1 539 . 6 1 1 A 50 50 TYR CB C 50 40.412 40.935 -0.523 1
1 544 . 6 1 1 A 50 50 TYR N N 50 125.926 126.338 -0.412 1
1 545 . 6 1 1 A 51 51 VAL H H 51 8.925 9.394 -0.469 1
1 546 . 6 1 1 A 51 51 VAL HA H 51 4.824 4.748 0.076 1
1 554 . 6 1 1 A 51 51 VAL CA C 51 59.968 61.830 -1.862 1
1 555 . 6 1 1 A 51 51 VAL CB C 51 35.624 33.467 2.157 1
1 558 . 6 1 1 A 51 51 VAL N N 51 122.631 124.074 -1.443 1
1 559 . 6 1 1 A 52 52 LEU H H 52 8.771 8.957 -0.186 1
1 560 . 6 1 1 A 52 52 LEU HA H 52 4.496 4.888 -0.392 1
1 570 . 6 1 1 A 52 52 LEU CA C 52 54.163 54.236 -0.073 1
1 571 . 6 1 1 A 52 52 LEU CB C 52 43.220 43.424 -0.204 1
1 575 . 6 1 1 A 52 52 LEU N N 52 127.249 129.563 -2.314 1
1 576 . 6 1 1 A 53 53 LYS H H 53 9.317 8.915 0.402 1
1 577 . 6 1 1 A 53 53 LYS HA H 53 4.028 4.022 0.006 1
1 586 . 6 1 1 A 53 53 LYS CA C 53 57.885 58.288 -0.403 1
1 587 . 6 1 1 A 53 53 LYS CB C 53 32.819 32.017 0.802 1
1 591 . 6 1 1 A 53 53 LYS N N 53 132.446 126.924 5.522 1
1 592 . 6 1 1 A 54 54 GLY H H 54 10.642 8.858 1.784 1
1 593 . 6 1 1 A 54 54 GLY HA2 H 54 4.195 4.023 0.172 1
1 594 . 6 1 1 A 54 54 GLY HA3 H 54 3.817 4.036 -0.219 1
1 595 . 6 1 1 A 54 54 GLY CA C 54 45.390 45.036 0.354 1
1 596 . 6 1 1 A 54 54 GLY N N 54 117.440 115.205 2.235 1
1 597 . 6 1 1 A 55 55 SER H H 55 7.996 7.621 0.375 1
1 598 . 6 1 1 A 55 55 SER HA H 55 4.623 4.614 0.009 1
1 601 . 6 1 1 A 55 55 SER CA C 55 58.553 57.821 0.732 1
1 602 . 6 1 1 A 55 55 SER CB C 55 66.037 64.598 1.439 1
1 603 . 6 1 1 A 55 55 SER N N 55 115.895 116.549 -0.654 1
1 604 . 6 1 1 A 56 56 LYS H H 56 9.018 8.965 0.053 1
1 605 . 6 1 1 A 56 56 LYS HA H 56 4.115 4.012 0.103 1
1 614 . 6 1 1 A 56 56 LYS CA C 56 58.716 58.765 -0.049 1
1 615 . 6 1 1 A 56 56 LYS CB C 56 32.311 31.923 0.388 1
1 619 . 6 1 1 A 56 56 LYS N N 56 120.334 123.606 -3.272 1
1 620 . 6 1 1 A 57 57 ALA H H 57 7.590 8.322 -0.732 1
1 621 . 6 1 1 A 57 57 ALA HA H 57 4.318 4.131 0.187 1
1 625 . 6 1 1 A 57 57 ALA CA C 57 53.124 55.059 -1.935 1
1 626 . 6 1 1 A 57 57 ALA CB C 57 20.015 18.282 1.733 1
1 627 . 6 1 1 A 57 57 ALA N N 57 119.501 122.345 -2.844 1
1 628 . 6 1 1 A 58 58 ASP H H 58 7.588 8.157 -0.569 1
1 629 . 6 1 1 A 58 58 ASP HA H 58 4.441 4.516 -0.075 1
1 632 . 6 1 1 A 58 58 ASP CA C 58 54.193 55.923 -1.730 1
1 633 . 6 1 1 A 58 58 ASP CB C 58 41.066 40.642 0.424 1
1 634 . 6 1 1 A 58 58 ASP N N 58 120.195 119.440 0.755 1
1 635 . 6 1 1 A 59 59 ALA H H 59 7.840 7.287 0.553 1
1 636 . 6 1 1 A 59 59 ALA HA H 59 4.188 3.851 0.337 1
1 640 . 6 1 1 A 59 59 ALA CA C 59 53.326 52.157 1.169 1
1 641 . 6 1 1 A 59 59 ALA CB C 59 19.094 18.524 0.570 1
1 642 . 6 1 1 A 59 59 ALA N N 59 124.358 120.927 3.431 1
1 643 . 6 1 1 A 60 60 LEU H H 60 8.078 7.363 0.715 1
1 644 . 6 1 1 A 60 60 LEU HA H 60 4.100 4.379 -0.279 1
1 654 . 6 1 1 A 60 60 LEU CA C 60 56.210 54.480 1.730 1
1 655 . 6 1 1 A 60 60 LEU CB C 60 41.973 43.084 -1.111 1
1 659 . 6 1 1 A 60 60 LEU N N 60 119.688 116.680 3.008 1
1 660 . 6 1 1 A 61 61 GLU H H 61 8.042 9.099 -1.057 1
1 661 . 6 1 1 A 61 61 GLU HA H 61 4.072 4.271 -0.199 1
1 666 . 6 1 1 A 61 61 GLU CA C 61 56.896 57.099 -0.203 1
1 667 . 6 1 1 A 61 61 GLU CB C 61 29.776 27.404 2.372 1
1 669 . 6 1 1 A 61 61 GLU N N 61 119.804 120.644 -0.840 1
1 670 . 6 1 1 A 62 62 HIS H H 62 8.153 8.684 -0.531 1
1 671 . 6 1 1 A 62 62 HIS HA H 62 4.610 4.638 -0.028 1
1 674 . 6 1 1 A 62 62 HIS CA C 62 56.131 54.821 1.310 1
1 675 . 6 1 1 A 62 62 HIS CB C 62 29.250 28.357 0.893 1
1 676 . 6 1 1 A 62 62 HIS N N 62 117.955 124.173 -6.218 1
1 677 . 6 1 1 A 63 63 HIS H H 63 8.324 7.742 0.582 1
1 678 . 6 1 1 A 63 63 HIS HA H 63 4.520 4.564 -0.044 1
1 681 . 6 1 1 A 63 63 HIS CA C 63 57.194 56.310 0.884 1
1 682 . 6 1 1 A 63 63 HIS CB C 63 29.761 29.765 -0.004 1
1 1 . 7 1 1 A 2 2 THR HA H 2 3.902 4.558 -0.656 1
1 6 . 7 1 1 A 2 2 THR CA C 2 61.460 61.762 -0.302 1
1 7 . 7 1 1 A 2 2 THR CB C 2 69.379 69.309 0.070 1
1 9 . 7 1 1 A 3 3 ILE H H 3 8.671 8.136 0.535 1
1 10 . 7 1 1 A 3 3 ILE HA H 3 4.166 3.774 0.392 1
1 20 . 7 1 1 A 3 3 ILE CA C 3 61.569 63.752 -2.183 1
1 21 . 7 1 1 A 3 3 ILE CB C 3 38.770 35.952 2.818 1
1 25 . 7 1 1 A 3 3 ILE N N 3 124.520 118.368 6.152 1
1 26 . 7 1 1 A 4 4 GLN H H 4 8.477 8.785 -0.308 1
1 27 . 7 1 1 A 4 4 GLN HA H 4 4.291 4.002 0.289 1
1 34 . 7 1 1 A 4 4 GLN CA C 4 55.615 56.725 -1.110 1
1 35 . 7 1 1 A 4 4 GLN CB C 4 29.590 26.353 3.237 1
1 37 . 7 1 1 A 4 4 GLN N N 4 124.855 121.012 3.843 1
1 39 . 7 1 1 A 5 5 ALA H H 5 8.334 7.794 0.540 1
1 40 . 7 1 1 A 5 5 ALA HA H 5 4.568 4.689 -0.121 1
1 44 . 7 1 1 A 5 5 ALA CA C 5 50.464 49.303 1.161 1
1 45 . 7 1 1 A 5 5 ALA CB C 5 18.235 19.138 -0.903 1
1 46 . 7 1 1 A 5 5 ALA N N 5 127.159 122.967 4.192 1
1 47 . 7 1 1 A 6 6 PRO HA H 6 4.429 4.722 -0.293 1
1 53 . 7 1 1 A 6 6 PRO CA C 6 63.072 63.679 -0.607 1
1 54 . 7 1 1 A 6 6 PRO CB C 6 32.220 32.292 -0.072 1
1 57 . 7 1 1 A 7 7 GLU H H 7 8.363 7.985 0.378 1
1 58 . 7 1 1 A 7 7 GLU HA H 7 4.280 3.983 0.297 1
1 62 . 7 1 1 A 7 7 GLU CA C 7 56.298 57.193 -0.895 1
1 63 . 7 1 1 A 7 7 GLU CB C 7 31.415 28.257 3.158 1
1 65 . 7 1 1 A 7 7 GLU N N 7 122.629 118.680 3.949 1
1 66 . 7 1 1 A 8 8 THR H H 8 8.219 8.622 -0.403 1
1 67 . 7 1 1 A 8 8 THR HA H 8 4.948 4.371 0.577 1
1 72 . 7 1 1 A 8 8 THR CA C 8 62.157 62.414 -0.257 1
1 73 . 7 1 1 A 8 8 THR CB C 8 70.658 68.916 1.742 1
1 75 . 7 1 1 A 8 8 THR N N 8 119.082 120.847 -1.765 1
1 76 . 7 1 1 A 9 9 LYS H H 9 8.885 8.831 0.054 1
1 77 . 7 1 1 A 9 9 LYS HA H 9 4.513 4.855 -0.342 1
1 86 . 7 1 1 A 9 9 LYS CA C 9 55.062 55.121 -0.059 1
1 87 . 7 1 1 A 9 9 LYS CB C 9 35.316 33.737 1.579 1
1 91 . 7 1 1 A 9 9 LYS N N 9 128.038 126.525 1.513 1
1 92 . 7 1 1 A 10 10 ILE H H 10 8.550 8.871 -0.321 1
1 93 . 7 1 1 A 10 10 ILE HA H 10 5.029 5.024 0.005 1
1 103 . 7 1 1 A 10 10 ILE CA C 10 59.908 60.973 -1.065 1
1 104 . 7 1 1 A 10 10 ILE CB C 10 37.184 37.852 -0.668 1
1 108 . 7 1 1 A 10 10 ILE N N 10 124.813 125.677 -0.864 1
1 109 . 7 1 1 A 11 11 VAL H H 11 9.253 9.200 0.053 1
1 110 . 7 1 1 A 11 11 VAL HA H 11 4.970 4.788 0.182 1
1 118 . 7 1 1 A 11 11 VAL CA C 11 59.300 58.962 0.338 1
1 119 . 7 1 1 A 11 11 VAL CB C 11 35.700 34.572 1.128 1
1 122 . 7 1 1 A 11 11 VAL N N 11 121.581 122.241 -0.660 1
1 123 . 7 1 1 A 12 12 ASP H H 12 8.471 8.948 -0.477 1
1 124 . 7 1 1 A 12 12 ASP HA H 12 4.825 4.625 0.200 1
1 127 . 7 1 1 A 12 12 ASP CA C 12 53.836 54.571 -0.735 1
1 128 . 7 1 1 A 12 12 ASP CB C 12 41.671 41.661 0.010 1
1 129 . 7 1 1 A 12 12 ASP N N 12 118.084 120.469 -2.385 1
1 130 . 7 1 1 A 13 13 LYS H H 13 7.170 7.427 -0.257 1
1 131 . 7 1 1 A 13 13 LYS HA H 13 4.679 4.738 -0.059 1
1 140 . 7 1 1 A 13 13 LYS CA C 13 54.180 54.664 -0.484 1
1 141 . 7 1 1 A 13 13 LYS CB C 13 35.890 35.135 0.755 1
1 145 . 7 1 1 A 13 13 LYS N N 13 117.300 116.843 0.457 1
1 146 . 7 1 1 A 14 14 SER H H 14 8.254 8.870 -0.616 1
1 147 . 7 1 1 A 14 14 SER HA H 14 4.170 4.257 -0.087 1
1 150 . 7 1 1 A 14 14 SER CA C 14 60.024 60.989 -0.965 1
1 151 . 7 1 1 A 14 14 SER CB C 14 63.593 62.988 0.605 1
1 152 . 7 1 1 A 14 14 SER N N 14 111.308 114.655 -3.347 1
1 153 . 7 1 1 A 15 15 ARG H H 15 7.110 7.976 -0.866 1
1 154 . 7 1 1 A 15 15 ARG HA H 15 5.297 4.666 0.631 1
1 161 . 7 1 1 A 15 15 ARG CA C 15 55.163 56.040 -0.877 1
1 162 . 7 1 1 A 15 15 ARG CB C 15 31.260 31.201 0.059 1
1 165 . 7 1 1 A 15 15 ARG N N 15 121.362 123.070 -1.708 1
1 166 . 7 1 1 A 16 16 VAL H H 16 8.809 9.021 -0.212 1
1 167 . 7 1 1 A 16 16 VAL HA H 16 4.450 4.567 -0.117 1
1 175 . 7 1 1 A 16 16 VAL CA C 16 59.600 60.755 -1.155 1
1 176 . 7 1 1 A 16 16 VAL CB C 16 35.800 33.969 1.831 1
1 179 . 7 1 1 A 16 16 VAL N N 16 124.300 125.067 -0.767 1
1 180 . 7 1 1 A 17 17 ALA H H 17 8.009 8.313 -0.304 1
1 181 . 7 1 1 A 17 17 ALA HA H 17 4.322 4.364 -0.042 1
1 185 . 7 1 1 A 17 17 ALA CA C 17 49.691 51.073 -1.382 1
1 186 . 7 1 1 A 17 17 ALA CB C 17 17.652 18.099 -0.447 1
1 187 . 7 1 1 A 17 17 ALA N N 17 127.911 129.808 -1.897 1
1 188 . 7 1 1 A 18 18 CYS H H 18 8.814 8.572 0.242 1
1 189 . 7 1 1 A 18 18 CYS HA H 18 4.492 4.427 0.065 1
1 192 . 7 1 1 A 18 18 CYS CA C 18 59.650 59.243 0.407 1
1 193 . 7 1 1 A 18 18 CYS CB C 18 31.882 27.390 4.492 1
1 194 . 7 1 1 A 18 18 CYS N N 18 123.363 123.562 -0.199 1
1 195 . 7 1 1 A 19 19 ASP H H 19 8.528 8.825 -0.297 1
1 196 . 7 1 1 A 19 19 ASP HA H 19 4.489 4.386 0.103 1
1 199 . 7 1 1 A 19 19 ASP CA C 19 53.107 56.345 -3.238 1
1 200 . 7 1 1 A 19 19 ASP CB C 19 42.346 40.765 1.581 1
1 201 . 7 1 1 A 19 19 ASP N N 19 128.758 123.367 5.391 1
1 202 . 7 1 1 A 20 20 GLY H H 20 9.037 7.296 1.741 1
1 203 . 7 1 1 A 20 20 GLY HA2 H 20 4.079 3.357 0.722 1
1 204 . 7 1 1 A 20 20 GLY HA3 H 20 3.906 3.580 0.326 1
1 205 . 7 1 1 A 20 20 GLY CA C 20 45.894 45.009 0.885 1
1 206 . 7 1 1 A 20 20 GLY N N 20 115.047 105.315 9.732 1
1 207 . 7 1 1 A 21 21 GLY H H 21 7.336 8.622 -1.286 1
1 208 . 7 1 1 A 21 21 GLY HA2 H 21 4.246 3.832 0.414 1
1 209 . 7 1 1 A 21 21 GLY HA3 H 21 3.612 3.832 -0.220 1
1 210 . 7 1 1 A 21 21 GLY CA C 21 44.222 46.963 -2.741 1
1 211 . 7 1 1 A 21 21 GLY N N 21 109.000 108.209 0.791 1
1 212 . 7 1 1 A 22 22 GLU H H 22 8.359 7.840 0.519 1
1 213 . 7 1 1 A 22 22 GLU HA H 22 4.192 4.553 -0.361 1
1 218 . 7 1 1 A 22 22 GLU CA C 22 56.200 56.158 0.042 1
1 219 . 7 1 1 A 22 22 GLU CB C 22 30.746 32.312 -1.566 1
1 221 . 7 1 1 A 22 22 GLU N N 22 118.322 117.229 1.093 1
1 222 . 7 1 1 A 23 23 GLY H H 23 8.809 8.852 -0.043 1
1 223 . 7 1 1 A 23 23 GLY HA2 H 23 3.780 3.848 -0.068 1
1 224 . 7 1 1 A 23 23 GLY HA3 H 23 3.835 3.859 -0.024 1
1 225 . 7 1 1 A 23 23 GLY CA C 23 46.688 47.187 -0.499 1
1 226 . 7 1 1 A 23 23 GLY N N 23 111.934 116.545 -4.611 1
1 227 . 7 1 1 A 24 24 ALA H H 24 8.995 8.798 0.197 1
1 228 . 7 1 1 A 24 24 ALA HA H 24 4.246 4.044 0.202 1
1 232 . 7 1 1 A 24 24 ALA CA C 24 53.645 54.583 -0.938 1
1 233 . 7 1 1 A 24 24 ALA CB C 24 18.641 18.408 0.233 1
1 234 . 7 1 1 A 24 24 ALA N N 24 129.183 129.135 0.048 1
1 235 . 7 1 1 A 25 25 LEU H H 25 7.780 7.804 -0.024 1
1 236 . 7 1 1 A 25 25 LEU HA H 25 4.407 4.494 -0.087 1
1 246 . 7 1 1 A 25 25 LEU CA C 25 54.551 54.220 0.331 1
1 247 . 7 1 1 A 25 25 LEU CB C 25 41.305 41.419 -0.114 1
1 251 . 7 1 1 A 25 25 LEU N N 25 116.850 114.725 2.125 1
1 252 . 7 1 1 A 26 26 GLY H H 26 7.808 7.682 0.126 1
1 253 . 7 1 1 A 26 26 GLY HA2 H 26 4.313 3.707 0.606 1
1 254 . 7 1 1 A 26 26 GLY HA3 H 26 3.685 3.918 -0.233 1
1 255 . 7 1 1 A 26 26 GLY CA C 26 45.895 44.370 1.525 1
1 256 . 7 1 1 A 26 26 GLY N N 26 110.392 108.226 2.166 1
1 257 . 7 1 1 A 27 27 HIS H H 27 7.626 7.892 -0.266 1
1 258 . 7 1 1 A 27 27 HIS HA H 27 4.999 4.632 0.367 1
1 263 . 7 1 1 A 27 27 HIS CA C 27 53.604 53.512 0.092 1
1 264 . 7 1 1 A 27 27 HIS CB C 27 28.333 32.358 -4.025 1
1 267 . 7 1 1 A 27 27 HIS N N 27 118.046 118.183 -0.137 1
1 268 . 7 1 1 A 28 28 PRO HA H 28 4.270 4.436 -0.166 1
1 275 . 7 1 1 A 28 28 PRO CA C 28 63.293 62.849 0.444 1
1 276 . 7 1 1 A 28 28 PRO CB C 28 31.916 30.125 1.791 1
1 279 . 7 1 1 A 29 29 ARG H H 29 8.464 8.140 0.324 1
1 280 . 7 1 1 A 29 29 ARG HA H 29 4.350 3.854 0.496 1
1 288 . 7 1 1 A 29 29 ARG CA C 29 58.043 56.934 1.109 1
1 289 . 7 1 1 A 29 29 ARG CB C 29 30.269 28.771 1.498 1
1 292 . 7 1 1 A 29 29 ARG N N 29 125.844 117.937 7.907 1
1 294 . 7 1 1 A 30 30 VAL H H 30 8.472 8.004 0.468 1
1 295 . 7 1 1 A 30 30 VAL HA H 30 4.540 4.583 -0.043 1
1 303 . 7 1 1 A 30 30 VAL CA C 30 59.500 61.127 -1.627 1
1 304 . 7 1 1 A 30 30 VAL CB C 30 35.700 33.591 2.109 1
1 307 . 7 1 1 A 30 30 VAL N N 30 125.322 121.344 3.978 1
1 308 . 7 1 1 A 31 31 TRP H H 31 8.648 9.019 -0.371 1
1 309 . 7 1 1 A 31 31 TRP HA H 31 4.864 5.018 -0.154 1
1 318 . 7 1 1 A 31 31 TRP CA C 31 56.885 56.491 0.394 1
1 319 . 7 1 1 A 31 31 TRP CB C 31 29.922 29.198 0.724 1
1 325 . 7 1 1 A 31 31 TRP N N 31 125.162 128.018 -2.856 1
1 327 . 7 1 1 A 32 32 LEU H H 32 9.634 9.027 0.607 1
1 328 . 7 1 1 A 32 32 LEU HA H 32 4.701 4.628 0.073 1
1 338 . 7 1 1 A 32 32 LEU CA C 32 53.078 54.462 -1.384 1
1 339 . 7 1 1 A 32 32 LEU CB C 32 44.467 42.584 1.883 1
1 343 . 7 1 1 A 32 32 LEU N N 32 125.975 126.074 -0.099 1
1 344 . 7 1 1 A 33 33 GLN H H 33 8.446 8.842 -0.396 1
1 345 . 7 1 1 A 33 33 GLN HA H 33 5.027 4.629 0.398 1
1 352 . 7 1 1 A 33 33 GLN CA C 33 53.279 54.926 -1.647 1
1 353 . 7 1 1 A 33 33 GLN CB C 33 30.512 29.757 0.755 1
1 355 . 7 1 1 A 33 33 GLN N N 33 121.000 123.988 -2.988 1
1 357 . 7 1 1 A 34 34 ILE H H 34 9.377 8.461 0.916 1
1 358 . 7 1 1 A 34 34 ILE HA H 34 3.900 4.112 -0.212 1
1 368 . 7 1 1 A 34 34 ILE CA C 34 60.335 60.398 -0.063 1
1 369 . 7 1 1 A 34 34 ILE CB C 34 38.613 38.598 0.015 1
1 373 . 7 1 1 A 34 34 ILE N N 34 128.325 126.901 1.424 1
1 374 . 7 1 1 A 35 35 PRO HA H 35 4.471 4.725 -0.254 1
1 381 . 7 1 1 A 35 35 PRO CA C 35 62.744 62.769 -0.025 1
1 382 . 7 1 1 A 35 35 PRO CB C 35 32.282 31.635 0.647 1
1 385 . 7 1 1 A 36 36 GLU H H 36 8.971 9.018 -0.047 1
1 386 . 7 1 1 A 36 36 GLU HA H 36 3.918 3.973 -0.055 1
1 391 . 7 1 1 A 36 36 GLU CA C 36 59.030 59.307 -0.277 1
1 392 . 7 1 1 A 36 36 GLU CB C 36 29.791 29.384 0.407 1
1 394 . 7 1 1 A 36 36 GLU N N 36 124.755 125.012 -0.257 1
1 395 . 7 1 1 A 37 37 ASP H H 37 8.657 8.127 0.530 1
1 396 . 7 1 1 A 37 37 ASP HA H 37 4.421 4.411 0.010 1
1 399 . 7 1 1 A 37 37 ASP CA C 37 55.552 57.387 -1.835 1
1 400 . 7 1 1 A 37 37 ASP CB C 37 39.824 41.259 -1.435 1
1 401 . 7 1 1 A 37 37 ASP N N 37 114.541 119.667 -5.126 1
1 402 . 7 1 1 A 38 38 THR H H 38 7.498 7.496 0.002 1
1 403 . 7 1 1 A 38 38 THR HA H 38 4.415 4.405 0.010 1
1 408 . 7 1 1 A 38 38 THR CA C 38 62.748 62.607 0.141 1
1 409 . 7 1 1 A 38 38 THR CB C 38 69.280 70.168 -0.888 1
1 411 . 7 1 1 A 38 38 THR N N 38 109.405 107.908 1.497 1
1 412 . 7 1 1 A 39 39 GLY H H 39 7.967 8.411 -0.444 1
1 413 . 7 1 1 A 39 39 GLY HA2 H 39 4.446 4.023 0.423 1
1 414 . 7 1 1 A 39 39 GLY HA3 H 39 3.619 4.085 -0.466 1
1 415 . 7 1 1 A 39 39 GLY CA C 39 46.428 45.218 1.210 1
1 416 . 7 1 1 A 39 39 GLY N N 39 108.005 110.604 -2.599 1
1 417 . 7 1 1 A 40 40 TRP H H 40 7.442 6.974 0.468 1
1 418 . 7 1 1 A 40 40 TRP HA H 40 5.960 5.518 0.442 1
1 427 . 7 1 1 A 40 40 TRP CA C 40 54.581 55.583 -1.002 1
1 428 . 7 1 1 A 40 40 TRP CB C 40 33.231 31.608 1.623 1
1 434 . 7 1 1 A 40 40 TRP N N 40 114.404 116.673 -2.269 1
1 436 . 7 1 1 A 41 41 VAL H H 41 9.317 8.887 0.430 1
1 437 . 7 1 1 A 41 41 VAL HA H 41 4.260 4.766 -0.506 1
1 445 . 7 1 1 A 41 41 VAL CA C 41 60.900 60.242 0.658 1
1 446 . 7 1 1 A 41 41 VAL CB C 41 36.400 35.902 0.498 1
1 449 . 7 1 1 A 41 41 VAL N N 41 119.203 121.066 -1.863 1
1 450 . 7 1 1 A 42 42 GLU H H 42 8.635 8.632 0.003 1
1 451 . 7 1 1 A 42 42 GLU HA H 42 5.559 5.291 0.268 1
1 456 . 7 1 1 A 42 42 GLU CA C 42 53.676 55.764 -2.088 1
1 457 . 7 1 1 A 42 42 GLU CB C 42 32.534 31.037 1.497 1
1 459 . 7 1 1 A 42 42 GLU N N 42 125.457 125.861 -0.404 1
1 460 . 7 1 1 A 43 43 CYS H H 43 9.018 8.680 0.338 1
1 461 . 7 1 1 A 43 43 CYS HA H 43 4.710 4.762 -0.052 1
1 464 . 7 1 1 A 43 43 CYS CA C 43 56.955 57.381 -0.426 1
1 465 . 7 1 1 A 43 43 CYS CB C 43 31.650 28.704 2.946 1
1 466 . 7 1 1 A 43 43 CYS N N 43 127.165 121.596 5.569 1
1 467 . 7 1 1 A 44 44 PRO HA H 44 4.455 4.446 0.009 1
1 474 . 7 1 1 A 44 44 PRO CA C 44 64.002 64.135 -0.133 1
1 475 . 7 1 1 A 44 44 PRO CB C 44 31.979 31.622 0.357 1
1 478 . 7 1 1 A 45 45 TYR H H 45 9.205 7.698 1.507 1
1 479 . 7 1 1 A 45 45 TYR HA H 45 4.477 4.402 0.075 1
1 486 . 7 1 1 A 45 45 TYR CA C 45 59.357 59.803 -0.446 1
1 487 . 7 1 1 A 45 45 TYR CB C 45 38.009 39.705 -1.696 1
1 492 . 7 1 1 A 45 45 TYR N N 45 120.751 115.601 5.150 1
1 493 . 7 1 1 A 46 46 CYS H H 46 8.097 7.867 0.230 1
1 494 . 7 1 1 A 46 46 CYS HA H 46 5.092 4.850 0.242 1
1 497 . 7 1 1 A 46 46 CYS CA C 46 58.497 60.153 -1.656 1
1 498 . 7 1 1 A 46 46 CYS CB C 46 32.055 28.832 3.223 1
1 499 . 7 1 1 A 46 46 CYS N N 46 117.233 118.339 -1.106 1
1 500 . 7 1 1 A 47 47 ASP H H 47 7.967 8.126 -0.159 1
1 501 . 7 1 1 A 47 47 ASP HA H 47 4.629 4.920 -0.291 1
1 504 . 7 1 1 A 47 47 ASP CA C 47 56.076 53.550 2.526 1
1 505 . 7 1 1 A 47 47 ASP CB C 47 39.369 41.916 -2.547 1
1 506 . 7 1 1 A 47 47 ASP N N 47 118.439 116.708 1.731 1
1 507 . 7 1 1 A 48 48 CYS H H 48 8.364 7.563 0.801 1
1 508 . 7 1 1 A 48 48 CYS HA H 48 4.175 4.856 -0.681 1
1 511 . 7 1 1 A 48 48 CYS CA C 48 61.629 59.016 2.613 1
1 512 . 7 1 1 A 48 48 CYS CB C 48 28.528 27.465 1.063 1
1 513 . 7 1 1 A 48 48 CYS N N 48 121.540 120.159 1.381 1
1 514 . 7 1 1 A 49 49 LYS H H 49 8.542 8.506 0.036 1
1 515 . 7 1 1 A 49 49 LYS HA H 49 4.956 4.769 0.187 1
1 524 . 7 1 1 A 49 49 LYS CA C 49 55.388 54.712 0.676 1
1 525 . 7 1 1 A 49 49 LYS CB C 49 34.179 33.461 0.718 1
1 529 . 7 1 1 A 49 49 LYS N N 49 129.258 125.486 3.772 1
1 530 . 7 1 1 A 50 50 TYR H H 50 9.320 9.339 -0.019 1
1 531 . 7 1 1 A 50 50 TYR HA H 50 5.264 5.176 0.088 1
1 538 . 7 1 1 A 50 50 TYR CA C 50 57.636 57.196 0.440 1
1 539 . 7 1 1 A 50 50 TYR CB C 50 40.412 38.633 1.779 1
1 544 . 7 1 1 A 50 50 TYR N N 50 125.926 127.672 -1.746 1
1 545 . 7 1 1 A 51 51 VAL H H 51 8.925 8.974 -0.049 1
1 546 . 7 1 1 A 51 51 VAL HA H 51 4.824 4.555 0.269 1
1 554 . 7 1 1 A 51 51 VAL CA C 51 59.968 62.096 -2.128 1
1 555 . 7 1 1 A 51 51 VAL CB C 51 35.624 33.058 2.566 1
1 558 . 7 1 1 A 51 51 VAL N N 51 122.631 125.345 -2.714 1
1 559 . 7 1 1 A 52 52 LEU H H 52 8.771 9.096 -0.325 1
1 560 . 7 1 1 A 52 52 LEU HA H 52 4.496 5.018 -0.522 1
1 570 . 7 1 1 A 52 52 LEU CA C 52 54.163 53.775 0.388 1
1 571 . 7 1 1 A 52 52 LEU CB C 52 43.220 44.401 -1.181 1
1 575 . 7 1 1 A 52 52 LEU N N 52 127.249 129.954 -2.705 1
1 576 . 7 1 1 A 53 53 LYS H H 53 9.317 8.900 0.417 1
1 577 . 7 1 1 A 53 53 LYS HA H 53 4.028 3.921 0.107 1
1 586 . 7 1 1 A 53 53 LYS CA C 53 57.885 58.086 -0.201 1
1 587 . 7 1 1 A 53 53 LYS CB C 53 32.819 32.200 0.619 1
1 591 . 7 1 1 A 53 53 LYS N N 53 132.446 125.985 6.461 1
1 592 . 7 1 1 A 54 54 GLY H H 54 10.642 8.877 1.765 1
1 593 . 7 1 1 A 54 54 GLY HA2 H 54 4.195 4.001 0.194 1
1 594 . 7 1 1 A 54 54 GLY HA3 H 54 3.817 4.002 -0.185 1
1 595 . 7 1 1 A 54 54 GLY CA C 54 45.390 45.195 0.195 1
1 596 . 7 1 1 A 54 54 GLY N N 54 117.440 115.149 2.291 1
1 597 . 7 1 1 A 55 55 SER H H 55 7.996 7.499 0.497 1
1 598 . 7 1 1 A 55 55 SER HA H 55 4.623 4.596 0.027 1
1 601 . 7 1 1 A 55 55 SER CA C 55 58.553 58.067 0.486 1
1 602 . 7 1 1 A 55 55 SER CB C 55 66.037 65.221 0.816 1
1 603 . 7 1 1 A 55 55 SER N N 55 115.895 115.701 0.194 1
1 604 . 7 1 1 A 56 56 LYS H H 56 9.018 8.906 0.112 1
1 605 . 7 1 1 A 56 56 LYS HA H 56 4.115 4.070 0.045 1
1 614 . 7 1 1 A 56 56 LYS CA C 56 58.716 59.188 -0.472 1
1 615 . 7 1 1 A 56 56 LYS CB C 56 32.311 31.937 0.374 1
1 619 . 7 1 1 A 56 56 LYS N N 56 120.334 120.534 -0.200 1
1 620 . 7 1 1 A 57 57 ALA H H 57 7.590 7.955 -0.365 1
1 621 . 7 1 1 A 57 57 ALA HA H 57 4.318 4.200 0.118 1
1 625 . 7 1 1 A 57 57 ALA CA C 57 53.124 54.497 -1.373 1
1 626 . 7 1 1 A 57 57 ALA CB C 57 20.015 18.280 1.735 1
1 627 . 7 1 1 A 57 57 ALA N N 57 119.501 121.678 -2.177 1
1 628 . 7 1 1 A 58 58 ASP H H 58 7.588 7.728 -0.140 1
1 629 . 7 1 1 A 58 58 ASP HA H 58 4.441 4.471 -0.030 1
1 632 . 7 1 1 A 58 58 ASP CA C 58 54.193 56.426 -2.233 1
1 633 . 7 1 1 A 58 58 ASP CB C 58 41.066 40.941 0.125 1
1 634 . 7 1 1 A 58 58 ASP N N 58 120.195 119.087 1.108 1
1 635 . 7 1 1 A 59 59 ALA H H 59 7.840 7.594 0.246 1
1 636 . 7 1 1 A 59 59 ALA HA H 59 4.188 4.395 -0.207 1
1 640 . 7 1 1 A 59 59 ALA CA C 59 53.326 52.360 0.966 1
1 641 . 7 1 1 A 59 59 ALA CB C 59 19.094 20.157 -1.063 1
1 642 . 7 1 1 A 59 59 ALA N N 59 124.358 120.639 3.719 1
1 643 . 7 1 1 A 60 60 LEU H H 60 8.078 7.250 0.828 1
1 644 . 7 1 1 A 60 60 LEU HA H 60 4.100 4.486 -0.386 1
1 654 . 7 1 1 A 60 60 LEU CA C 60 56.210 54.200 2.010 1
1 655 . 7 1 1 A 60 60 LEU CB C 60 41.973 43.192 -1.219 1
1 659 . 7 1 1 A 60 60 LEU N N 60 119.688 115.228 4.460 1
1 660 . 7 1 1 A 61 61 GLU H H 61 8.042 9.005 -0.963 1
1 661 . 7 1 1 A 61 61 GLU HA H 61 4.072 4.222 -0.150 1
1 666 . 7 1 1 A 61 61 GLU CA C 61 56.896 58.853 -1.957 1
1 667 . 7 1 1 A 61 61 GLU CB C 61 29.776 29.328 0.448 1
1 669 . 7 1 1 A 61 61 GLU N N 61 119.804 118.352 1.452 1
1 670 . 7 1 1 A 62 62 HIS H H 62 8.153 8.355 -0.202 1
1 671 . 7 1 1 A 62 62 HIS HA H 62 4.610 4.419 0.191 1
1 674 . 7 1 1 A 62 62 HIS CA C 62 56.131 55.057 1.074 1
1 675 . 7 1 1 A 62 62 HIS CB C 62 29.250 29.533 -0.283 1
1 676 . 7 1 1 A 62 62 HIS N N 62 117.955 120.630 -2.675 1
1 677 . 7 1 1 A 63 63 HIS H H 63 8.324 8.321 0.003 1
1 678 . 7 1 1 A 63 63 HIS HA H 63 4.520 4.492 0.028 1
1 681 . 7 1 1 A 63 63 HIS CA C 63 57.194 56.068 1.126 1
1 682 . 7 1 1 A 63 63 HIS CB C 63 29.761 30.204 -0.443 1
1 1 . 8 1 1 A 2 2 THR HA H 2 3.902 4.542 -0.640 1
1 6 . 8 1 1 A 2 2 THR CA C 2 61.460 62.671 -1.211 1
1 7 . 8 1 1 A 2 2 THR CB C 2 69.379 70.306 -0.927 1
1 9 . 8 1 1 A 3 3 ILE H H 3 8.671 7.990 0.681 1
1 10 . 8 1 1 A 3 3 ILE HA H 3 4.166 3.837 0.329 1
1 20 . 8 1 1 A 3 3 ILE CA C 3 61.569 63.272 -1.703 1
1 21 . 8 1 1 A 3 3 ILE CB C 3 38.770 36.209 2.561 1
1 25 . 8 1 1 A 3 3 ILE N N 3 124.520 117.176 7.344 1
1 26 . 8 1 1 A 4 4 GLN H H 4 8.477 8.392 0.085 1
1 27 . 8 1 1 A 4 4 GLN HA H 4 4.291 3.957 0.334 1
1 34 . 8 1 1 A 4 4 GLN CA C 4 55.615 57.472 -1.857 1
1 35 . 8 1 1 A 4 4 GLN CB C 4 29.590 26.640 2.950 1
1 37 . 8 1 1 A 4 4 GLN N N 4 124.855 118.007 6.848 1
1 39 . 8 1 1 A 5 5 ALA H H 5 8.334 7.658 0.676 1
1 40 . 8 1 1 A 5 5 ALA HA H 5 4.568 4.704 -0.136 1
1 44 . 8 1 1 A 5 5 ALA CA C 5 50.464 49.920 0.544 1
1 45 . 8 1 1 A 5 5 ALA CB C 5 18.235 19.085 -0.850 1
1 46 . 8 1 1 A 5 5 ALA N N 5 127.159 119.753 7.406 1
1 47 . 8 1 1 A 6 6 PRO HA H 6 4.429 4.566 -0.137 1
1 53 . 8 1 1 A 6 6 PRO CA C 6 63.072 63.290 -0.218 1
1 54 . 8 1 1 A 6 6 PRO CB C 6 32.220 30.884 1.336 1
1 57 . 8 1 1 A 7 7 GLU H H 7 8.363 7.798 0.565 1
1 58 . 8 1 1 A 7 7 GLU HA H 7 4.280 4.217 0.063 1
1 62 . 8 1 1 A 7 7 GLU CA C 7 56.298 56.437 -0.139 1
1 63 . 8 1 1 A 7 7 GLU CB C 7 31.415 30.305 1.110 1
1 65 . 8 1 1 A 7 7 GLU N N 7 122.629 121.893 0.736 1
1 66 . 8 1 1 A 8 8 THR H H 8 8.219 8.683 -0.464 1
1 67 . 8 1 1 A 8 8 THR HA H 8 4.948 5.190 -0.242 1
1 72 . 8 1 1 A 8 8 THR CA C 8 62.157 61.522 0.635 1
1 73 . 8 1 1 A 8 8 THR CB C 8 70.658 70.582 0.076 1
1 75 . 8 1 1 A 8 8 THR N N 8 119.082 122.327 -3.245 1
1 76 . 8 1 1 A 9 9 LYS H H 9 8.885 8.987 -0.102 1
1 77 . 8 1 1 A 9 9 LYS HA H 9 4.513 4.893 -0.380 1
1 86 . 8 1 1 A 9 9 LYS CA C 9 55.062 54.799 0.263 1
1 87 . 8 1 1 A 9 9 LYS CB C 9 35.316 34.513 0.803 1
1 91 . 8 1 1 A 9 9 LYS N N 9 128.038 123.364 4.674 1
1 92 . 8 1 1 A 10 10 ILE H H 10 8.550 8.843 -0.293 1
1 93 . 8 1 1 A 10 10 ILE HA H 10 5.029 4.836 0.193 1
1 103 . 8 1 1 A 10 10 ILE CA C 10 59.908 60.022 -0.114 1
1 104 . 8 1 1 A 10 10 ILE CB C 10 37.184 37.616 -0.432 1
1 108 . 8 1 1 A 10 10 ILE N N 10 124.813 126.238 -1.425 1
1 109 . 8 1 1 A 11 11 VAL H H 11 9.253 8.889 0.364 1
1 110 . 8 1 1 A 11 11 VAL HA H 11 4.970 4.821 0.149 1
1 118 . 8 1 1 A 11 11 VAL CA C 11 59.300 59.860 -0.560 1
1 119 . 8 1 1 A 11 11 VAL CB C 11 35.700 33.909 1.791 1
1 122 . 8 1 1 A 11 11 VAL N N 11 121.581 126.232 -4.651 1
1 123 . 8 1 1 A 12 12 ASP H H 12 8.471 8.712 -0.241 1
1 124 . 8 1 1 A 12 12 ASP HA H 12 4.825 4.843 -0.018 1
1 127 . 8 1 1 A 12 12 ASP CA C 12 53.836 54.604 -0.768 1
1 128 . 8 1 1 A 12 12 ASP CB C 12 41.671 41.506 0.165 1
1 129 . 8 1 1 A 12 12 ASP N N 12 118.084 121.130 -3.046 1
1 130 . 8 1 1 A 13 13 LYS H H 13 7.170 7.507 -0.337 1
1 131 . 8 1 1 A 13 13 LYS HA H 13 4.679 4.733 -0.054 1
1 140 . 8 1 1 A 13 13 LYS CA C 13 54.180 54.712 -0.532 1
1 141 . 8 1 1 A 13 13 LYS CB C 13 35.890 35.277 0.613 1
1 145 . 8 1 1 A 13 13 LYS N N 13 117.300 116.102 1.198 1
1 146 . 8 1 1 A 14 14 SER H H 14 8.254 8.802 -0.548 1
1 147 . 8 1 1 A 14 14 SER HA H 14 4.170 4.496 -0.326 1
1 150 . 8 1 1 A 14 14 SER CA C 14 60.024 60.455 -0.431 1
1 151 . 8 1 1 A 14 14 SER CB C 14 63.593 64.098 -0.505 1
1 152 . 8 1 1 A 14 14 SER N N 14 111.308 114.949 -3.641 1
1 153 . 8 1 1 A 15 15 ARG H H 15 7.110 7.898 -0.788 1
1 154 . 8 1 1 A 15 15 ARG HA H 15 5.297 5.253 0.044 1
1 161 . 8 1 1 A 15 15 ARG CA C 15 55.163 55.080 0.083 1
1 162 . 8 1 1 A 15 15 ARG CB C 15 31.260 32.414 -1.154 1
1 165 . 8 1 1 A 15 15 ARG N N 15 121.362 118.265 3.097 1
1 166 . 8 1 1 A 16 16 VAL H H 16 8.809 8.928 -0.119 1
1 167 . 8 1 1 A 16 16 VAL HA H 16 4.450 4.600 -0.150 1
1 175 . 8 1 1 A 16 16 VAL CA C 16 59.600 60.603 -1.003 1
1 176 . 8 1 1 A 16 16 VAL CB C 16 35.800 35.157 0.643 1
1 179 . 8 1 1 A 16 16 VAL N N 16 124.300 124.617 -0.317 1
1 180 . 8 1 1 A 17 17 ALA H H 17 8.009 8.306 -0.297 1
1 181 . 8 1 1 A 17 17 ALA HA H 17 4.322 4.426 -0.104 1
1 185 . 8 1 1 A 17 17 ALA CA C 17 49.691 51.005 -1.314 1
1 186 . 8 1 1 A 17 17 ALA CB C 17 17.652 17.661 -0.009 1
1 187 . 8 1 1 A 17 17 ALA N N 17 127.911 129.337 -1.426 1
1 188 . 8 1 1 A 18 18 CYS H H 18 8.814 7.918 0.896 1
1 189 . 8 1 1 A 18 18 CYS HA H 18 4.492 4.415 0.077 1
1 192 . 8 1 1 A 18 18 CYS CA C 18 59.650 59.277 0.373 1
1 193 . 8 1 1 A 18 18 CYS CB C 18 31.882 27.891 3.991 1
1 194 . 8 1 1 A 18 18 CYS N N 18 123.363 122.675 0.688 1
1 195 . 8 1 1 A 19 19 ASP H H 19 8.528 8.918 -0.390 1
1 196 . 8 1 1 A 19 19 ASP HA H 19 4.489 4.192 0.297 1
1 199 . 8 1 1 A 19 19 ASP CA C 19 53.107 55.402 -2.295 1
1 200 . 8 1 1 A 19 19 ASP CB C 19 42.346 40.261 2.085 1
1 201 . 8 1 1 A 19 19 ASP N N 19 128.758 126.781 1.977 1
1 202 . 8 1 1 A 20 20 GLY H H 20 9.037 8.078 0.959 1
1 203 . 8 1 1 A 20 20 GLY HA2 H 20 4.079 4.104 -0.025 1
1 204 . 8 1 1 A 20 20 GLY HA3 H 20 3.906 4.171 -0.265 1
1 205 . 8 1 1 A 20 20 GLY CA C 20 45.894 44.567 1.327 1
1 206 . 8 1 1 A 20 20 GLY N N 20 115.047 107.792 7.255 1
1 207 . 8 1 1 A 21 21 GLY H H 21 7.336 8.224 -0.888 1
1 208 . 8 1 1 A 21 21 GLY HA2 H 21 4.246 3.797 0.449 1
1 209 . 8 1 1 A 21 21 GLY HA3 H 21 3.612 3.818 -0.206 1
1 210 . 8 1 1 A 21 21 GLY CA C 21 44.222 46.032 -1.810 1
1 211 . 8 1 1 A 21 21 GLY N N 21 109.000 114.910 -5.910 1
1 212 . 8 1 1 A 22 22 GLU H H 22 8.359 7.762 0.597 1
1 213 . 8 1 1 A 22 22 GLU HA H 22 4.192 4.688 -0.496 1
1 218 . 8 1 1 A 22 22 GLU CA C 22 56.200 54.624 1.576 1
1 219 . 8 1 1 A 22 22 GLU CB C 22 30.746 31.907 -1.161 1
1 221 . 8 1 1 A 22 22 GLU N N 22 118.322 119.079 -0.757 1
1 222 . 8 1 1 A 23 23 GLY H H 23 8.809 8.688 0.121 1
1 223 . 8 1 1 A 23 23 GLY HA2 H 23 3.780 3.748 0.032 1
1 224 . 8 1 1 A 23 23 GLY HA3 H 23 3.835 3.749 0.086 1
1 225 . 8 1 1 A 23 23 GLY CA C 23 46.688 47.450 -0.762 1
1 226 . 8 1 1 A 23 23 GLY N N 23 111.934 109.863 2.071 1
1 227 . 8 1 1 A 24 24 ALA H H 24 8.995 7.434 1.561 1
1 228 . 8 1 1 A 24 24 ALA HA H 24 4.246 4.358 -0.112 1
1 232 . 8 1 1 A 24 24 ALA CA C 24 53.645 51.773 1.872 1
1 233 . 8 1 1 A 24 24 ALA CB C 24 18.641 19.031 -0.390 1
1 234 . 8 1 1 A 24 24 ALA N N 24 129.183 123.125 6.058 1
1 235 . 8 1 1 A 25 25 LEU H H 25 7.780 7.990 -0.210 1
1 236 . 8 1 1 A 25 25 LEU HA H 25 4.407 3.948 0.459 1
1 246 . 8 1 1 A 25 25 LEU CA C 25 54.551 55.693 -1.142 1
1 247 . 8 1 1 A 25 25 LEU CB C 25 41.305 39.779 1.526 1
1 251 . 8 1 1 A 25 25 LEU N N 25 116.850 117.125 -0.275 1
1 252 . 8 1 1 A 26 26 GLY H H 26 7.808 7.822 -0.014 1
1 253 . 8 1 1 A 26 26 GLY HA2 H 26 4.313 3.498 0.815 1
1 254 . 8 1 1 A 26 26 GLY HA3 H 26 3.685 3.653 0.032 1
1 255 . 8 1 1 A 26 26 GLY CA C 26 45.895 47.235 -1.340 1
1 256 . 8 1 1 A 26 26 GLY N N 26 110.392 109.221 1.171 1
1 257 . 8 1 1 A 27 27 HIS H H 27 7.626 7.235 0.391 1
1 258 . 8 1 1 A 27 27 HIS HA H 27 4.999 4.685 0.314 1
1 263 . 8 1 1 A 27 27 HIS CA C 27 53.604 54.851 -1.247 1
1 264 . 8 1 1 A 27 27 HIS CB C 27 28.333 29.526 -1.193 1
1 267 . 8 1 1 A 27 27 HIS N N 27 118.046 117.713 0.333 1
1 268 . 8 1 1 A 28 28 PRO HA H 28 4.270 4.499 -0.229 1
1 275 . 8 1 1 A 28 28 PRO CA C 28 63.293 62.931 0.362 1
1 276 . 8 1 1 A 28 28 PRO CB C 28 31.916 29.978 1.938 1
1 279 . 8 1 1 A 29 29 ARG H H 29 8.464 8.256 0.208 1
1 280 . 8 1 1 A 29 29 ARG HA H 29 4.350 4.067 0.283 1
1 288 . 8 1 1 A 29 29 ARG CA C 29 58.043 56.862 1.181 1
1 289 . 8 1 1 A 29 29 ARG CB C 29 30.269 28.670 1.599 1
1 292 . 8 1 1 A 29 29 ARG N N 29 125.844 117.324 8.520 1
1 294 . 8 1 1 A 30 30 VAL H H 30 8.472 7.924 0.548 1
1 295 . 8 1 1 A 30 30 VAL HA H 30 4.540 4.295 0.245 1
1 303 . 8 1 1 A 30 30 VAL CA C 30 59.500 61.412 -1.912 1
1 304 . 8 1 1 A 30 30 VAL CB C 30 35.700 32.483 3.217 1
1 307 . 8 1 1 A 30 30 VAL N N 30 125.322 120.858 4.464 1
1 308 . 8 1 1 A 31 31 TRP H H 31 8.648 8.992 -0.344 1
1 309 . 8 1 1 A 31 31 TRP HA H 31 4.864 5.108 -0.244 1
1 318 . 8 1 1 A 31 31 TRP CA C 31 56.885 56.361 0.524 1
1 319 . 8 1 1 A 31 31 TRP CB C 31 29.922 31.097 -1.175 1
1 325 . 8 1 1 A 31 31 TRP N N 31 125.162 128.120 -2.958 1
1 327 . 8 1 1 A 32 32 LEU H H 32 9.634 9.310 0.324 1
1 328 . 8 1 1 A 32 32 LEU HA H 32 4.701 4.878 -0.177 1
1 338 . 8 1 1 A 32 32 LEU CA C 32 53.078 53.663 -0.585 1
1 339 . 8 1 1 A 32 32 LEU CB C 32 44.467 42.162 2.305 1
1 343 . 8 1 1 A 32 32 LEU N N 32 125.975 125.708 0.267 1
1 344 . 8 1 1 A 33 33 GLN H H 33 8.446 8.951 -0.505 1
1 345 . 8 1 1 A 33 33 GLN HA H 33 5.027 4.782 0.245 1
1 352 . 8 1 1 A 33 33 GLN CA C 33 53.279 55.023 -1.744 1
1 353 . 8 1 1 A 33 33 GLN CB C 33 30.512 29.844 0.668 1
1 355 . 8 1 1 A 33 33 GLN N N 33 121.000 124.664 -3.664 1
1 357 . 8 1 1 A 34 34 ILE H H 34 9.377 9.000 0.377 1
1 358 . 8 1 1 A 34 34 ILE HA H 34 3.900 4.437 -0.537 1
1 368 . 8 1 1 A 34 34 ILE CA C 34 60.335 59.420 0.915 1
1 369 . 8 1 1 A 34 34 ILE CB C 34 38.613 38.341 0.272 1
1 373 . 8 1 1 A 34 34 ILE N N 34 128.325 127.470 0.855 1
1 374 . 8 1 1 A 35 35 PRO HA H 35 4.471 4.743 -0.272 1
1 381 . 8 1 1 A 35 35 PRO CA C 35 62.744 62.019 0.725 1
1 382 . 8 1 1 A 35 35 PRO CB C 35 32.282 32.602 -0.320 1
1 385 . 8 1 1 A 36 36 GLU H H 36 8.971 8.676 0.295 1
1 386 . 8 1 1 A 36 36 GLU HA H 36 3.918 3.994 -0.076 1
1 391 . 8 1 1 A 36 36 GLU CA C 36 59.030 58.418 0.612 1
1 392 . 8 1 1 A 36 36 GLU CB C 36 29.791 28.991 0.800 1
1 394 . 8 1 1 A 36 36 GLU N N 36 124.755 121.641 3.114 1
1 395 . 8 1 1 A 37 37 ASP H H 37 8.657 7.967 0.690 1
1 396 . 8 1 1 A 37 37 ASP HA H 37 4.421 4.397 0.024 1
1 399 . 8 1 1 A 37 37 ASP CA C 37 55.552 56.987 -1.435 1
1 400 . 8 1 1 A 37 37 ASP CB C 37 39.824 41.164 -1.340 1
1 401 . 8 1 1 A 37 37 ASP N N 37 114.541 120.883 -6.342 1
1 402 . 8 1 1 A 38 38 THR H H 38 7.498 7.465 0.033 1
1 403 . 8 1 1 A 38 38 THR HA H 38 4.415 4.469 -0.054 1
1 408 . 8 1 1 A 38 38 THR CA C 38 62.748 62.404 0.344 1
1 409 . 8 1 1 A 38 38 THR CB C 38 69.280 70.290 -1.010 1
1 411 . 8 1 1 A 38 38 THR N N 38 109.405 106.957 2.448 1
1 412 . 8 1 1 A 39 39 GLY H H 39 7.967 8.672 -0.705 1
1 413 . 8 1 1 A 39 39 GLY HA2 H 39 4.446 3.927 0.519 1
1 414 . 8 1 1 A 39 39 GLY HA3 H 39 3.619 3.998 -0.379 1
1 415 . 8 1 1 A 39 39 GLY CA C 39 46.428 45.387 1.041 1
1 416 . 8 1 1 A 39 39 GLY N N 39 108.005 110.780 -2.775 1
1 417 . 8 1 1 A 40 40 TRP H H 40 7.442 7.094 0.348 1
1 418 . 8 1 1 A 40 40 TRP HA H 40 5.960 5.546 0.414 1
1 427 . 8 1 1 A 40 40 TRP CA C 40 54.581 55.483 -0.902 1
1 428 . 8 1 1 A 40 40 TRP CB C 40 33.231 31.622 1.609 1
1 434 . 8 1 1 A 40 40 TRP N N 40 114.404 116.799 -2.395 1
1 436 . 8 1 1 A 41 41 VAL H H 41 9.317 9.192 0.125 1
1 437 . 8 1 1 A 41 41 VAL HA H 41 4.260 4.639 -0.379 1
1 445 . 8 1 1 A 41 41 VAL CA C 41 60.900 60.466 0.434 1
1 446 . 8 1 1 A 41 41 VAL CB C 41 36.400 35.837 0.563 1
1 449 . 8 1 1 A 41 41 VAL N N 41 119.203 120.877 -1.674 1
1 450 . 8 1 1 A 42 42 GLU H H 42 8.635 8.727 -0.092 1
1 451 . 8 1 1 A 42 42 GLU HA H 42 5.559 4.999 0.560 1
1 456 . 8 1 1 A 42 42 GLU CA C 42 53.676 55.954 -2.278 1
1 457 . 8 1 1 A 42 42 GLU CB C 42 32.534 30.705 1.829 1
1 459 . 8 1 1 A 42 42 GLU N N 42 125.457 126.520 -1.063 1
1 460 . 8 1 1 A 43 43 CYS H H 43 9.018 8.885 0.133 1
1 461 . 8 1 1 A 43 43 CYS HA H 43 4.710 5.013 -0.303 1
1 464 . 8 1 1 A 43 43 CYS CA C 43 56.955 55.802 1.153 1
1 465 . 8 1 1 A 43 43 CYS CB C 43 31.650 29.454 2.196 1
1 466 . 8 1 1 A 43 43 CYS N N 43 127.165 124.318 2.847 1
1 467 . 8 1 1 A 44 44 PRO HA H 44 4.455 4.416 0.039 1
1 474 . 8 1 1 A 44 44 PRO CA C 44 64.002 63.902 0.100 1
1 475 . 8 1 1 A 44 44 PRO CB C 44 31.979 31.712 0.267 1
1 478 . 8 1 1 A 45 45 TYR H H 45 9.205 7.722 1.483 1
1 479 . 8 1 1 A 45 45 TYR HA H 45 4.477 4.322 0.155 1
1 486 . 8 1 1 A 45 45 TYR CA C 45 59.357 60.065 -0.708 1
1 487 . 8 1 1 A 45 45 TYR CB C 45 38.009 39.331 -1.322 1
1 492 . 8 1 1 A 45 45 TYR N N 45 120.751 116.289 4.462 1
1 493 . 8 1 1 A 46 46 CYS H H 46 8.097 7.935 0.162 1
1 494 . 8 1 1 A 46 46 CYS HA H 46 5.092 4.800 0.292 1
1 497 . 8 1 1 A 46 46 CYS CA C 46 58.497 58.365 0.132 1
1 498 . 8 1 1 A 46 46 CYS CB C 46 32.055 28.064 3.991 1
1 499 . 8 1 1 A 46 46 CYS N N 46 117.233 117.042 0.191 1
1 500 . 8 1 1 A 47 47 ASP H H 47 7.967 7.997 -0.030 1
1 501 . 8 1 1 A 47 47 ASP HA H 47 4.629 4.249 0.380 1
1 504 . 8 1 1 A 47 47 ASP CA C 47 56.076 55.545 0.531 1
1 505 . 8 1 1 A 47 47 ASP CB C 47 39.369 39.028 0.341 1
1 506 . 8 1 1 A 47 47 ASP N N 47 118.439 118.644 -0.205 1
1 507 . 8 1 1 A 48 48 CYS H H 48 8.364 7.627 0.737 1
1 508 . 8 1 1 A 48 48 CYS HA H 48 4.175 4.998 -0.823 1
1 511 . 8 1 1 A 48 48 CYS CA C 48 61.629 58.026 3.603 1
1 512 . 8 1 1 A 48 48 CYS CB C 48 28.528 32.589 -4.061 1
1 513 . 8 1 1 A 48 48 CYS N N 48 121.540 116.573 4.967 1
1 514 . 8 1 1 A 49 49 LYS H H 49 8.542 8.525 0.017 1
1 515 . 8 1 1 A 49 49 LYS HA H 49 4.956 5.128 -0.172 1
1 524 . 8 1 1 A 49 49 LYS CA C 49 55.388 54.943 0.445 1
1 525 . 8 1 1 A 49 49 LYS CB C 49 34.179 34.589 -0.410 1
1 529 . 8 1 1 A 49 49 LYS N N 49 129.258 123.862 5.396 1
1 530 . 8 1 1 A 50 50 TYR H H 50 9.320 9.541 -0.221 1
1 531 . 8 1 1 A 50 50 TYR HA H 50 5.264 5.511 -0.247 1
1 538 . 8 1 1 A 50 50 TYR CA C 50 57.636 57.295 0.341 1
1 539 . 8 1 1 A 50 50 TYR CB C 50 40.412 40.111 0.301 1
1 544 . 8 1 1 A 50 50 TYR N N 50 125.926 127.248 -1.322 1
1 545 . 8 1 1 A 51 51 VAL H H 51 8.925 9.321 -0.396 1
1 546 . 8 1 1 A 51 51 VAL HA H 51 4.824 4.718 0.106 1
1 554 . 8 1 1 A 51 51 VAL CA C 51 59.968 61.658 -1.690 1
1 555 . 8 1 1 A 51 51 VAL CB C 51 35.624 34.026 1.598 1
1 558 . 8 1 1 A 51 51 VAL N N 51 122.631 123.871 -1.240 1
1 559 . 8 1 1 A 52 52 LEU H H 52 8.771 8.828 -0.057 1
1 560 . 8 1 1 A 52 52 LEU HA H 52 4.496 4.902 -0.406 1
1 570 . 8 1 1 A 52 52 LEU CA C 52 54.163 54.034 0.129 1
1 571 . 8 1 1 A 52 52 LEU CB C 52 43.220 43.505 -0.285 1
1 575 . 8 1 1 A 52 52 LEU N N 52 127.249 129.581 -2.332 1
1 576 . 8 1 1 A 53 53 LYS H H 53 9.317 8.813 0.504 1
1 577 . 8 1 1 A 53 53 LYS HA H 53 4.028 3.927 0.101 1
1 586 . 8 1 1 A 53 53 LYS CA C 53 57.885 58.249 -0.364 1
1 587 . 8 1 1 A 53 53 LYS CB C 53 32.819 32.144 0.675 1
1 591 . 8 1 1 A 53 53 LYS N N 53 132.446 127.006 5.440 1
1 592 . 8 1 1 A 54 54 GLY H H 54 10.642 8.985 1.657 1
1 593 . 8 1 1 A 54 54 GLY HA2 H 54 4.195 3.935 0.260 1
1 594 . 8 1 1 A 54 54 GLY HA3 H 54 3.817 3.954 -0.137 1
1 595 . 8 1 1 A 54 54 GLY CA C 54 45.390 45.080 0.310 1
1 596 . 8 1 1 A 54 54 GLY N N 54 117.440 115.276 2.164 1
1 597 . 8 1 1 A 55 55 SER H H 55 7.996 7.636 0.360 1
1 598 . 8 1 1 A 55 55 SER HA H 55 4.623 4.622 0.001 1
1 601 . 8 1 1 A 55 55 SER CA C 55 58.553 57.267 1.286 1
1 602 . 8 1 1 A 55 55 SER CB C 55 66.037 64.576 1.461 1
1 603 . 8 1 1 A 55 55 SER N N 55 115.895 115.273 0.622 1
1 604 . 8 1 1 A 56 56 LYS H H 56 9.018 8.935 0.083 1
1 605 . 8 1 1 A 56 56 LYS HA H 56 4.115 4.030 0.085 1
1 614 . 8 1 1 A 56 56 LYS CA C 56 58.716 59.067 -0.351 1
1 615 . 8 1 1 A 56 56 LYS CB C 56 32.311 32.294 0.017 1
1 619 . 8 1 1 A 56 56 LYS N N 56 120.334 125.799 -5.465 1
1 620 . 8 1 1 A 57 57 ALA H H 57 7.590 7.633 -0.043 1
1 621 . 8 1 1 A 57 57 ALA HA H 57 4.318 4.249 0.069 1
1 625 . 8 1 1 A 57 57 ALA CA C 57 53.124 53.477 -0.353 1
1 626 . 8 1 1 A 57 57 ALA CB C 57 20.015 18.722 1.293 1
1 627 . 8 1 1 A 57 57 ALA N N 57 119.501 121.010 -1.509 1
1 628 . 8 1 1 A 58 58 ASP H H 58 7.588 7.955 -0.367 1
1 629 . 8 1 1 A 58 58 ASP HA H 58 4.441 4.816 -0.375 1
1 632 . 8 1 1 A 58 58 ASP CA C 58 54.193 52.594 1.599 1
1 633 . 8 1 1 A 58 58 ASP CB C 58 41.066 40.618 0.448 1
1 634 . 8 1 1 A 58 58 ASP N N 58 120.195 119.155 1.040 1
1 635 . 8 1 1 A 59 59 ALA H H 59 7.840 8.500 -0.660 1
1 636 . 8 1 1 A 59 59 ALA HA H 59 4.188 4.266 -0.078 1
1 640 . 8 1 1 A 59 59 ALA CA C 59 53.326 52.539 0.787 1
1 641 . 8 1 1 A 59 59 ALA CB C 59 19.094 19.660 -0.566 1
1 642 . 8 1 1 A 59 59 ALA N N 59 124.358 127.538 -3.180 1
1 643 . 8 1 1 A 60 60 LEU H H 60 8.078 7.798 0.280 1
1 644 . 8 1 1 A 60 60 LEU HA H 60 4.100 4.218 -0.118 1
1 654 . 8 1 1 A 60 60 LEU CA C 60 56.210 57.067 -0.857 1
1 655 . 8 1 1 A 60 60 LEU CB C 60 41.973 41.594 0.379 1
1 659 . 8 1 1 A 60 60 LEU N N 60 119.688 117.298 2.390 1
1 660 . 8 1 1 A 61 61 GLU H H 61 8.042 7.962 0.080 1
1 661 . 8 1 1 A 61 61 GLU HA H 61 4.072 4.202 -0.130 1
1 666 . 8 1 1 A 61 61 GLU CA C 61 56.896 58.670 -1.774 1
1 667 . 8 1 1 A 61 61 GLU CB C 61 29.776 30.287 -0.511 1
1 669 . 8 1 1 A 61 61 GLU N N 61 119.804 119.571 0.233 1
1 670 . 8 1 1 A 62 62 HIS H H 62 8.153 8.127 0.026 1
1 671 . 8 1 1 A 62 62 HIS HA H 62 4.610 4.430 0.180 1
1 674 . 8 1 1 A 62 62 HIS CA C 62 56.131 58.481 -2.350 1
1 675 . 8 1 1 A 62 62 HIS CB C 62 29.250 30.662 -1.412 1
1 676 . 8 1 1 A 62 62 HIS N N 62 117.955 120.172 -2.217 1
1 677 . 8 1 1 A 63 63 HIS H H 63 8.324 8.144 0.180 1
1 678 . 8 1 1 A 63 63 HIS HA H 63 4.520 4.501 0.019 1
1 681 . 8 1 1 A 63 63 HIS CA C 63 57.194 57.137 0.057 1
1 682 . 8 1 1 A 63 63 HIS CB C 63 29.761 29.137 0.624 1
1 1 . 9 1 1 A 2 2 THR HA H 2 3.902 4.670 -0.768 1
1 6 . 9 1 1 A 2 2 THR CA C 2 61.460 59.753 1.707 1
1 7 . 9 1 1 A 2 2 THR CB C 2 69.379 71.558 -2.179 1
1 9 . 9 1 1 A 3 3 ILE H H 3 8.671 8.399 0.272 1
1 10 . 9 1 1 A 3 3 ILE HA H 3 4.166 4.247 -0.081 1
1 20 . 9 1 1 A 3 3 ILE CA C 3 61.569 60.829 0.740 1
1 21 . 9 1 1 A 3 3 ILE CB C 3 38.770 37.445 1.325 1
1 25 . 9 1 1 A 3 3 ILE N N 3 124.520 118.768 5.752 1
1 26 . 9 1 1 A 4 4 GLN H H 4 8.477 8.010 0.467 1
1 27 . 9 1 1 A 4 4 GLN HA H 4 4.291 3.978 0.313 1
1 34 . 9 1 1 A 4 4 GLN CA C 4 55.615 56.754 -1.139 1
1 35 . 9 1 1 A 4 4 GLN CB C 4 29.590 26.357 3.233 1
1 37 . 9 1 1 A 4 4 GLN N N 4 124.855 119.525 5.330 1
1 39 . 9 1 1 A 5 5 ALA H H 5 8.334 7.699 0.635 1
1 40 . 9 1 1 A 5 5 ALA HA H 5 4.568 4.726 -0.158 1
1 44 . 9 1 1 A 5 5 ALA CA C 5 50.464 49.405 1.059 1
1 45 . 9 1 1 A 5 5 ALA CB C 5 18.235 19.290 -1.055 1
1 46 . 9 1 1 A 5 5 ALA N N 5 127.159 122.569 4.590 1
1 47 . 9 1 1 A 6 6 PRO HA H 6 4.429 4.498 -0.069 1
1 53 . 9 1 1 A 6 6 PRO CA C 6 63.072 63.712 -0.640 1
1 54 . 9 1 1 A 6 6 PRO CB C 6 32.220 32.085 0.135 1
1 57 . 9 1 1 A 7 7 GLU H H 7 8.363 7.842 0.521 1
1 58 . 9 1 1 A 7 7 GLU HA H 7 4.280 4.213 0.067 1
1 62 . 9 1 1 A 7 7 GLU CA C 7 56.298 56.582 -0.284 1
1 63 . 9 1 1 A 7 7 GLU CB C 7 31.415 30.136 1.279 1
1 65 . 9 1 1 A 7 7 GLU N N 7 122.629 122.120 0.509 1
1 66 . 9 1 1 A 8 8 THR H H 8 8.219 8.490 -0.271 1
1 67 . 9 1 1 A 8 8 THR HA H 8 4.948 4.967 -0.019 1
1 72 . 9 1 1 A 8 8 THR CA C 8 62.157 60.630 1.527 1
1 73 . 9 1 1 A 8 8 THR CB C 8 70.658 70.114 0.544 1
1 75 . 9 1 1 A 8 8 THR N N 8 119.082 117.595 1.487 1
1 76 . 9 1 1 A 9 9 LYS H H 9 8.885 9.170 -0.285 1
1 77 . 9 1 1 A 9 9 LYS HA H 9 4.513 4.653 -0.140 1
1 86 . 9 1 1 A 9 9 LYS CA C 9 55.062 55.394 -0.332 1
1 87 . 9 1 1 A 9 9 LYS CB C 9 35.316 32.569 2.747 1
1 91 . 9 1 1 A 9 9 LYS N N 9 128.038 126.431 1.607 1
1 92 . 9 1 1 A 10 10 ILE H H 10 8.550 8.653 -0.103 1
1 93 . 9 1 1 A 10 10 ILE HA H 10 5.029 4.869 0.160 1
1 103 . 9 1 1 A 10 10 ILE CA C 10 59.908 60.804 -0.896 1
1 104 . 9 1 1 A 10 10 ILE CB C 10 37.184 36.851 0.333 1
1 108 . 9 1 1 A 10 10 ILE N N 10 124.813 126.151 -1.338 1
1 109 . 9 1 1 A 11 11 VAL H H 11 9.253 9.208 0.045 1
1 110 . 9 1 1 A 11 11 VAL HA H 11 4.970 4.985 -0.015 1
1 118 . 9 1 1 A 11 11 VAL CA C 11 59.300 59.282 0.018 1
1 119 . 9 1 1 A 11 11 VAL CB C 11 35.700 34.463 1.237 1
1 122 . 9 1 1 A 11 11 VAL N N 11 121.581 123.358 -1.777 1
1 123 . 9 1 1 A 12 12 ASP H H 12 8.471 9.011 -0.540 1
1 124 . 9 1 1 A 12 12 ASP HA H 12 4.825 4.883 -0.058 1
1 127 . 9 1 1 A 12 12 ASP CA C 12 53.836 53.220 0.616 1
1 128 . 9 1 1 A 12 12 ASP CB C 12 41.671 41.507 0.164 1
1 129 . 9 1 1 A 12 12 ASP N N 12 118.084 122.572 -4.488 1
1 130 . 9 1 1 A 13 13 LYS H H 13 7.170 7.425 -0.255 1
1 131 . 9 1 1 A 13 13 LYS HA H 13 4.679 4.811 -0.132 1
1 140 . 9 1 1 A 13 13 LYS CA C 13 54.180 55.451 -1.271 1
1 141 . 9 1 1 A 13 13 LYS CB C 13 35.890 35.797 0.093 1
1 145 . 9 1 1 A 13 13 LYS N N 13 117.300 121.272 -3.972 1
1 146 . 9 1 1 A 14 14 SER H H 14 8.254 8.683 -0.429 1
1 147 . 9 1 1 A 14 14 SER HA H 14 4.170 4.562 -0.392 1
1 150 . 9 1 1 A 14 14 SER CA C 14 60.024 60.047 -0.023 1
1 151 . 9 1 1 A 14 14 SER CB C 14 63.593 64.046 -0.453 1
1 152 . 9 1 1 A 14 14 SER N N 14 111.308 120.250 -8.942 1
1 153 . 9 1 1 A 15 15 ARG H H 15 7.110 7.874 -0.764 1
1 154 . 9 1 1 A 15 15 ARG HA H 15 5.297 4.607 0.690 1
1 161 . 9 1 1 A 15 15 ARG CA C 15 55.163 54.893 0.270 1
1 162 . 9 1 1 A 15 15 ARG CB C 15 31.260 29.790 1.470 1
1 165 . 9 1 1 A 15 15 ARG N N 15 121.362 119.917 1.445 1
1 166 . 9 1 1 A 16 16 VAL H H 16 8.809 8.470 0.339 1
1 167 . 9 1 1 A 16 16 VAL HA H 16 4.450 4.376 0.074 1
1 175 . 9 1 1 A 16 16 VAL CA C 16 59.600 60.999 -1.399 1
1 176 . 9 1 1 A 16 16 VAL CB C 16 35.800 33.115 2.685 1
1 179 . 9 1 1 A 16 16 VAL N N 16 124.300 125.414 -1.114 1
1 180 . 9 1 1 A 17 17 ALA H H 17 8.009 8.173 -0.164 1
1 181 . 9 1 1 A 17 17 ALA HA H 17 4.322 4.253 0.069 1
1 185 . 9 1 1 A 17 17 ALA CA C 17 49.691 50.713 -1.022 1
1 186 . 9 1 1 A 17 17 ALA CB C 17 17.652 18.165 -0.513 1
1 187 . 9 1 1 A 17 17 ALA N N 17 127.911 129.932 -2.021 1
1 188 . 9 1 1 A 18 18 CYS H H 18 8.814 8.491 0.323 1
1 189 . 9 1 1 A 18 18 CYS HA H 18 4.492 4.511 -0.019 1
1 192 . 9 1 1 A 18 18 CYS CA C 18 59.650 59.507 0.143 1
1 193 . 9 1 1 A 18 18 CYS CB C 18 31.882 27.474 4.408 1
1 194 . 9 1 1 A 18 18 CYS N N 18 123.363 123.298 0.065 1
1 195 . 9 1 1 A 19 19 ASP H H 19 8.528 9.148 -0.620 1
1 196 . 9 1 1 A 19 19 ASP HA H 19 4.489 4.602 -0.113 1
1 199 . 9 1 1 A 19 19 ASP CA C 19 53.107 56.060 -2.953 1
1 200 . 9 1 1 A 19 19 ASP CB C 19 42.346 40.994 1.352 1
1 201 . 9 1 1 A 19 19 ASP N N 19 128.758 124.633 4.125 1
1 202 . 9 1 1 A 20 20 GLY H H 20 9.037 7.482 1.555 1
1 203 . 9 1 1 A 20 20 GLY HA2 H 20 4.079 4.067 0.012 1
1 204 . 9 1 1 A 20 20 GLY HA3 H 20 3.906 4.219 -0.313 1
1 205 . 9 1 1 A 20 20 GLY CA C 20 45.894 45.817 0.077 1
1 206 . 9 1 1 A 20 20 GLY N N 20 115.047 102.842 12.205 1
1 207 . 9 1 1 A 21 21 GLY H H 21 7.336 8.240 -0.904 1
1 208 . 9 1 1 A 21 21 GLY HA2 H 21 4.246 4.090 0.156 1
1 209 . 9 1 1 A 21 21 GLY HA3 H 21 3.612 4.092 -0.480 1
1 210 . 9 1 1 A 21 21 GLY CA C 21 44.222 45.977 -1.755 1
1 211 . 9 1 1 A 21 21 GLY N N 21 109.000 109.588 -0.588 1
1 212 . 9 1 1 A 22 22 GLU H H 22 8.359 8.118 0.241 1
1 213 . 9 1 1 A 22 22 GLU HA H 22 4.192 4.434 -0.242 1
1 218 . 9 1 1 A 22 22 GLU CA C 22 56.200 56.027 0.173 1
1 219 . 9 1 1 A 22 22 GLU CB C 22 30.746 30.529 0.217 1
1 221 . 9 1 1 A 22 22 GLU N N 22 118.322 120.774 -2.452 1
1 222 . 9 1 1 A 23 23 GLY H H 23 8.809 8.581 0.228 1
1 223 . 9 1 1 A 23 23 GLY HA2 H 23 3.780 3.741 0.039 1
1 224 . 9 1 1 A 23 23 GLY HA3 H 23 3.835 3.747 0.088 1
1 225 . 9 1 1 A 23 23 GLY CA C 23 46.688 47.357 -0.669 1
1 226 . 9 1 1 A 23 23 GLY N N 23 111.934 110.917 1.017 1
1 227 . 9 1 1 A 24 24 ALA H H 24 8.995 7.876 1.119 1
1 228 . 9 1 1 A 24 24 ALA HA H 24 4.246 4.158 0.088 1
1 232 . 9 1 1 A 24 24 ALA CA C 24 53.645 53.569 0.076 1
1 233 . 9 1 1 A 24 24 ALA CB C 24 18.641 18.650 -0.009 1
1 234 . 9 1 1 A 24 24 ALA N N 24 129.183 124.531 4.652 1
1 235 . 9 1 1 A 25 25 LEU H H 25 7.780 7.721 0.059 1
1 236 . 9 1 1 A 25 25 LEU HA H 25 4.407 4.387 0.020 1
1 246 . 9 1 1 A 25 25 LEU CA C 25 54.551 54.052 0.499 1
1 247 . 9 1 1 A 25 25 LEU CB C 25 41.305 41.288 0.017 1
1 251 . 9 1 1 A 25 25 LEU N N 25 116.850 114.623 2.227 1
1 252 . 9 1 1 A 26 26 GLY H H 26 7.808 7.654 0.154 1
1 253 . 9 1 1 A 26 26 GLY HA2 H 26 4.313 3.791 0.522 1
1 254 . 9 1 1 A 26 26 GLY HA3 H 26 3.685 3.853 -0.168 1
1 255 . 9 1 1 A 26 26 GLY CA C 26 45.895 45.113 0.782 1
1 256 . 9 1 1 A 26 26 GLY N N 26 110.392 108.002 2.390 1
1 257 . 9 1 1 A 27 27 HIS H H 27 7.626 8.742 -1.116 1
1 258 . 9 1 1 A 27 27 HIS HA H 27 4.999 4.902 0.097 1
1 263 . 9 1 1 A 27 27 HIS CA C 27 53.604 53.840 -0.236 1
1 264 . 9 1 1 A 27 27 HIS CB C 27 28.333 32.238 -3.905 1
1 267 . 9 1 1 A 27 27 HIS N N 27 118.046 121.623 -3.577 1
1 268 . 9 1 1 A 28 28 PRO HA H 28 4.270 4.366 -0.096 1
1 275 . 9 1 1 A 28 28 PRO CA C 28 63.293 65.079 -1.786 1
1 276 . 9 1 1 A 28 28 PRO CB C 28 31.916 31.956 -0.040 1
1 279 . 9 1 1 A 29 29 ARG H H 29 8.464 7.636 0.828 1
1 280 . 9 1 1 A 29 29 ARG HA H 29 4.350 4.605 -0.255 1
1 288 . 9 1 1 A 29 29 ARG CA C 29 58.043 56.057 1.986 1
1 289 . 9 1 1 A 29 29 ARG CB C 29 30.269 31.823 -1.554 1
1 292 . 9 1 1 A 29 29 ARG N N 29 125.844 115.513 10.331 1
1 294 . 9 1 1 A 30 30 VAL H H 30 8.472 8.784 -0.312 1
1 295 . 9 1 1 A 30 30 VAL HA H 30 4.540 4.822 -0.282 1
1 303 . 9 1 1 A 30 30 VAL CA C 30 59.500 61.215 -1.715 1
1 304 . 9 1 1 A 30 30 VAL CB C 30 35.700 34.807 0.893 1
1 307 . 9 1 1 A 30 30 VAL N N 30 125.322 125.562 -0.240 1
1 308 . 9 1 1 A 31 31 TRP H H 31 8.648 9.159 -0.511 1
1 309 . 9 1 1 A 31 31 TRP HA H 31 4.864 5.244 -0.380 1
1 318 . 9 1 1 A 31 31 TRP CA C 31 56.885 54.891 1.994 1
1 319 . 9 1 1 A 31 31 TRP CB C 31 29.922 31.477 -1.555 1
1 325 . 9 1 1 A 31 31 TRP N N 31 125.162 128.181 -3.019 1
1 327 . 9 1 1 A 32 32 LEU H H 32 9.634 9.173 0.461 1
1 328 . 9 1 1 A 32 32 LEU HA H 32 4.701 5.058 -0.357 1
1 338 . 9 1 1 A 32 32 LEU CA C 32 53.078 53.116 -0.038 1
1 339 . 9 1 1 A 32 32 LEU CB C 32 44.467 44.337 0.130 1
1 343 . 9 1 1 A 32 32 LEU N N 32 125.975 124.742 1.233 1
1 344 . 9 1 1 A 33 33 GLN H H 33 8.446 8.723 -0.277 1
1 345 . 9 1 1 A 33 33 GLN HA H 33 5.027 5.078 -0.051 1
1 352 . 9 1 1 A 33 33 GLN CA C 33 53.279 54.307 -1.028 1
1 353 . 9 1 1 A 33 33 GLN CB C 33 30.512 32.196 -1.684 1
1 355 . 9 1 1 A 33 33 GLN N N 33 121.000 121.691 -0.691 1
1 357 . 9 1 1 A 34 34 ILE H H 34 9.377 8.649 0.728 1
1 358 . 9 1 1 A 34 34 ILE HA H 34 3.900 4.345 -0.445 1
1 368 . 9 1 1 A 34 34 ILE CA C 34 60.335 60.049 0.286 1
1 369 . 9 1 1 A 34 34 ILE CB C 34 38.613 38.555 0.058 1
1 373 . 9 1 1 A 34 34 ILE N N 34 128.325 126.999 1.326 1
1 374 . 9 1 1 A 35 35 PRO HA H 35 4.471 4.746 -0.275 1
1 381 . 9 1 1 A 35 35 PRO CA C 35 62.744 62.341 0.403 1
1 382 . 9 1 1 A 35 35 PRO CB C 35 32.282 32.095 0.187 1
1 385 . 9 1 1 A 36 36 GLU H H 36 8.971 8.651 0.320 1
1 386 . 9 1 1 A 36 36 GLU HA H 36 3.918 3.974 -0.056 1
1 391 . 9 1 1 A 36 36 GLU CA C 36 59.030 59.389 -0.359 1
1 392 . 9 1 1 A 36 36 GLU CB C 36 29.791 29.322 0.469 1
1 394 . 9 1 1 A 36 36 GLU N N 36 124.755 123.752 1.003 1
1 395 . 9 1 1 A 37 37 ASP H H 37 8.657 7.974 0.683 1
1 396 . 9 1 1 A 37 37 ASP HA H 37 4.421 4.434 -0.013 1
1 399 . 9 1 1 A 37 37 ASP CA C 37 55.552 56.966 -1.414 1
1 400 . 9 1 1 A 37 37 ASP CB C 37 39.824 40.761 -0.937 1
1 401 . 9 1 1 A 37 37 ASP N N 37 114.541 119.411 -4.870 1
1 402 . 9 1 1 A 38 38 THR H H 38 7.498 7.447 0.051 1
1 403 . 9 1 1 A 38 38 THR HA H 38 4.415 4.399 0.016 1
1 408 . 9 1 1 A 38 38 THR CA C 38 62.748 62.294 0.454 1
1 409 . 9 1 1 A 38 38 THR CB C 38 69.280 70.191 -0.911 1
1 411 . 9 1 1 A 38 38 THR N N 38 109.405 107.142 2.263 1
1 412 . 9 1 1 A 39 39 GLY H H 39 7.967 8.430 -0.463 1
1 413 . 9 1 1 A 39 39 GLY HA2 H 39 4.446 3.925 0.521 1
1 414 . 9 1 1 A 39 39 GLY HA3 H 39 3.619 3.979 -0.360 1
1 415 . 9 1 1 A 39 39 GLY CA C 39 46.428 45.298 1.130 1
1 416 . 9 1 1 A 39 39 GLY N N 39 108.005 110.679 -2.674 1
1 417 . 9 1 1 A 40 40 TRP H H 40 7.442 7.041 0.401 1
1 418 . 9 1 1 A 40 40 TRP HA H 40 5.960 5.531 0.429 1
1 427 . 9 1 1 A 40 40 TRP CA C 40 54.581 55.494 -0.913 1
1 428 . 9 1 1 A 40 40 TRP CB C 40 33.231 31.680 1.551 1
1 434 . 9 1 1 A 40 40 TRP N N 40 114.404 116.666 -2.262 1
1 436 . 9 1 1 A 41 41 VAL H H 41 9.317 9.117 0.200 1
1 437 . 9 1 1 A 41 41 VAL HA H 41 4.260 4.889 -0.629 1
1 445 . 9 1 1 A 41 41 VAL CA C 41 60.900 60.401 0.499 1
1 446 . 9 1 1 A 41 41 VAL CB C 41 36.400 35.374 1.026 1
1 449 . 9 1 1 A 41 41 VAL N N 41 119.203 121.238 -2.035 1
1 450 . 9 1 1 A 42 42 GLU H H 42 8.635 8.968 -0.333 1
1 451 . 9 1 1 A 42 42 GLU HA H 42 5.559 5.388 0.171 1
1 456 . 9 1 1 A 42 42 GLU CA C 42 53.676 55.793 -2.117 1
1 457 . 9 1 1 A 42 42 GLU CB C 42 32.534 31.480 1.054 1
1 459 . 9 1 1 A 42 42 GLU N N 42 125.457 127.172 -1.715 1
1 460 . 9 1 1 A 43 43 CYS H H 43 9.018 8.804 0.214 1
1 461 . 9 1 1 A 43 43 CYS HA H 43 4.710 4.976 -0.266 1
1 464 . 9 1 1 A 43 43 CYS CA C 43 56.955 55.556 1.399 1
1 465 . 9 1 1 A 43 43 CYS CB C 43 31.650 29.774 1.876 1
1 466 . 9 1 1 A 43 43 CYS N N 43 127.165 122.660 4.505 1
1 467 . 9 1 1 A 44 44 PRO HA H 44 4.455 4.373 0.082 1
1 474 . 9 1 1 A 44 44 PRO CA C 44 64.002 64.236 -0.234 1
1 475 . 9 1 1 A 44 44 PRO CB C 44 31.979 31.686 0.293 1
1 478 . 9 1 1 A 45 45 TYR H H 45 9.205 7.275 1.930 1
1 479 . 9 1 1 A 45 45 TYR HA H 45 4.477 4.602 -0.125 1
1 486 . 9 1 1 A 45 45 TYR CA C 45 59.357 57.630 1.727 1
1 487 . 9 1 1 A 45 45 TYR CB C 45 38.009 38.380 -0.371 1
1 492 . 9 1 1 A 45 45 TYR N N 45 120.751 116.065 4.686 1
1 493 . 9 1 1 A 46 46 CYS H H 46 8.097 7.820 0.277 1
1 494 . 9 1 1 A 46 46 CYS HA H 46 5.092 4.327 0.765 1
1 497 . 9 1 1 A 46 46 CYS CA C 46 58.497 60.544 -2.047 1
1 498 . 9 1 1 A 46 46 CYS CB C 46 32.055 25.889 6.166 1
1 499 . 9 1 1 A 46 46 CYS N N 46 117.233 116.110 1.123 1
1 500 . 9 1 1 A 47 47 ASP H H 47 7.967 8.521 -0.554 1
1 501 . 9 1 1 A 47 47 ASP HA H 47 4.629 4.774 -0.145 1
1 504 . 9 1 1 A 47 47 ASP CA C 47 56.076 53.834 2.242 1
1 505 . 9 1 1 A 47 47 ASP CB C 47 39.369 41.316 -1.947 1
1 506 . 9 1 1 A 47 47 ASP N N 47 118.439 117.658 0.781 1
1 507 . 9 1 1 A 48 48 CYS H H 48 8.364 7.998 0.366 1
1 508 . 9 1 1 A 48 48 CYS HA H 48 4.175 4.355 -0.180 1
1 511 . 9 1 1 A 48 48 CYS CA C 48 61.629 61.280 0.349 1
1 512 . 9 1 1 A 48 48 CYS CB C 48 28.528 26.364 2.164 1
1 513 . 9 1 1 A 48 48 CYS N N 48 121.540 117.251 4.289 1
1 514 . 9 1 1 A 49 49 LYS H H 49 8.542 8.026 0.516 1
1 515 . 9 1 1 A 49 49 LYS HA H 49 4.956 4.761 0.195 1
1 524 . 9 1 1 A 49 49 LYS CA C 49 55.388 55.041 0.347 1
1 525 . 9 1 1 A 49 49 LYS CB C 49 34.179 33.609 0.570 1
1 529 . 9 1 1 A 49 49 LYS N N 49 129.258 123.904 5.354 1
1 530 . 9 1 1 A 50 50 TYR H H 50 9.320 9.398 -0.078 1
1 531 . 9 1 1 A 50 50 TYR HA H 50 5.264 5.120 0.144 1
1 538 . 9 1 1 A 50 50 TYR CA C 50 57.636 57.090 0.546 1
1 539 . 9 1 1 A 50 50 TYR CB C 50 40.412 38.782 1.630 1
1 544 . 9 1 1 A 50 50 TYR N N 50 125.926 127.603 -1.677 1
1 545 . 9 1 1 A 51 51 VAL H H 51 8.925 9.030 -0.105 1
1 546 . 9 1 1 A 51 51 VAL HA H 51 4.824 4.560 0.264 1
1 554 . 9 1 1 A 51 51 VAL CA C 51 59.968 62.242 -2.274 1
1 555 . 9 1 1 A 51 51 VAL CB C 51 35.624 32.863 2.761 1
1 558 . 9 1 1 A 51 51 VAL N N 51 122.631 125.484 -2.853 1
1 559 . 9 1 1 A 52 52 LEU H H 52 8.771 8.831 -0.060 1
1 560 . 9 1 1 A 52 52 LEU HA H 52 4.496 4.883 -0.387 1
1 570 . 9 1 1 A 52 52 LEU CA C 52 54.163 54.429 -0.266 1
1 571 . 9 1 1 A 52 52 LEU CB C 52 43.220 43.252 -0.032 1
1 575 . 9 1 1 A 52 52 LEU N N 52 127.249 129.940 -2.691 1
1 576 . 9 1 1 A 53 53 LYS H H 53 9.317 9.080 0.237 1
1 577 . 9 1 1 A 53 53 LYS HA H 53 4.028 4.000 0.028 1
1 586 . 9 1 1 A 53 53 LYS CA C 53 57.885 58.368 -0.483 1
1 587 . 9 1 1 A 53 53 LYS CB C 53 32.819 32.190 0.629 1
1 591 . 9 1 1 A 53 53 LYS N N 53 132.446 127.900 4.546 1
1 592 . 9 1 1 A 54 54 GLY H H 54 10.642 8.840 1.802 1
1 593 . 9 1 1 A 54 54 GLY HA2 H 54 4.195 3.884 0.311 1
1 594 . 9 1 1 A 54 54 GLY HA3 H 54 3.817 3.896 -0.079 1
1 595 . 9 1 1 A 54 54 GLY CA C 54 45.390 46.434 -1.044 1
1 596 . 9 1 1 A 54 54 GLY N N 54 117.440 114.917 2.523 1
1 597 . 9 1 1 A 55 55 SER H H 55 7.996 7.856 0.140 1
1 598 . 9 1 1 A 55 55 SER HA H 55 4.623 4.790 -0.167 1
1 601 . 9 1 1 A 55 55 SER CA C 55 58.553 56.136 2.417 1
1 602 . 9 1 1 A 55 55 SER CB C 55 66.037 65.573 0.464 1
1 603 . 9 1 1 A 55 55 SER N N 55 115.895 114.602 1.293 1
1 604 . 9 1 1 A 56 56 LYS H H 56 9.018 8.812 0.206 1
1 605 . 9 1 1 A 56 56 LYS HA H 56 4.115 4.105 0.010 1
1 614 . 9 1 1 A 56 56 LYS CA C 56 58.716 58.867 -0.151 1
1 615 . 9 1 1 A 56 56 LYS CB C 56 32.311 31.983 0.328 1
1 619 . 9 1 1 A 56 56 LYS N N 56 120.334 124.725 -4.391 1
1 620 . 9 1 1 A 57 57 ALA H H 57 7.590 7.885 -0.295 1
1 621 . 9 1 1 A 57 57 ALA HA H 57 4.318 4.454 -0.136 1
1 625 . 9 1 1 A 57 57 ALA CA C 57 53.124 52.656 0.468 1
1 626 . 9 1 1 A 57 57 ALA CB C 57 20.015 20.096 -0.081 1
1 627 . 9 1 1 A 57 57 ALA N N 57 119.501 121.272 -1.771 1
1 628 . 9 1 1 A 58 58 ASP H H 58 7.588 7.605 -0.017 1
1 629 . 9 1 1 A 58 58 ASP HA H 58 4.441 5.112 -0.671 1
1 632 . 9 1 1 A 58 58 ASP CA C 58 54.193 53.557 0.636 1
1 633 . 9 1 1 A 58 58 ASP CB C 58 41.066 42.894 -1.828 1
1 634 . 9 1 1 A 58 58 ASP N N 58 120.195 117.518 2.677 1
1 635 . 9 1 1 A 59 59 ALA H H 59 7.840 8.733 -0.893 1
1 636 . 9 1 1 A 59 59 ALA HA H 59 4.188 4.468 -0.280 1
1 640 . 9 1 1 A 59 59 ALA CA C 59 53.326 53.371 -0.045 1
1 641 . 9 1 1 A 59 59 ALA CB C 59 19.094 21.130 -2.036 1
1 642 . 9 1 1 A 59 59 ALA N N 59 124.358 129.068 -4.710 1
1 643 . 9 1 1 A 60 60 LEU H H 60 8.078 7.946 0.132 1
1 644 . 9 1 1 A 60 60 LEU HA H 60 4.100 4.468 -0.368 1
1 654 . 9 1 1 A 60 60 LEU CA C 60 56.210 56.028 0.182 1
1 655 . 9 1 1 A 60 60 LEU CB C 60 41.973 42.749 -0.776 1
1 659 . 9 1 1 A 60 60 LEU N N 60 119.688 116.010 3.678 1
1 660 . 9 1 1 A 61 61 GLU H H 61 8.042 8.015 0.027 1
1 661 . 9 1 1 A 61 61 GLU HA H 61 4.072 3.919 0.153 1
1 666 . 9 1 1 A 61 61 GLU CA C 61 56.896 58.161 -1.265 1
1 667 . 9 1 1 A 61 61 GLU CB C 61 29.776 27.965 1.811 1
1 669 . 9 1 1 A 61 61 GLU N N 61 119.804 118.900 0.904 1
1 670 . 9 1 1 A 62 62 HIS H H 62 8.153 8.363 -0.210 1
1 671 . 9 1 1 A 62 62 HIS HA H 62 4.610 4.809 -0.199 1
1 674 . 9 1 1 A 62 62 HIS CA C 62 56.131 55.949 0.182 1
1 675 . 9 1 1 A 62 62 HIS CB C 62 29.250 29.364 -0.114 1
1 676 . 9 1 1 A 62 62 HIS N N 62 117.955 121.842 -3.887 1
1 677 . 9 1 1 A 63 63 HIS H H 63 8.324 7.466 0.858 1
1 678 . 9 1 1 A 63 63 HIS HA H 63 4.520 4.483 0.037 1
1 681 . 9 1 1 A 63 63 HIS CA C 63 57.194 55.720 1.474 1
1 682 . 9 1 1 A 63 63 HIS CB C 63 29.761 29.511 0.250 1
1 1 . 10 1 1 A 2 2 THR HA H 2 3.902 4.544 -0.642 1
1 6 . 10 1 1 A 2 2 THR CA C 2 61.460 60.138 1.322 1
1 7 . 10 1 1 A 2 2 THR CB C 2 69.379 70.386 -1.007 1
1 9 . 10 1 1 A 3 3 ILE H H 3 8.671 8.507 0.164 1
1 10 . 10 1 1 A 3 3 ILE HA H 3 4.166 4.257 -0.091 1
1 20 . 10 1 1 A 3 3 ILE CA C 3 61.569 62.037 -0.468 1
1 21 . 10 1 1 A 3 3 ILE CB C 3 38.770 38.861 -0.091 1
1 25 . 10 1 1 A 3 3 ILE N N 3 124.520 121.965 2.555 1
1 26 . 10 1 1 A 4 4 GLN H H 4 8.477 7.864 0.613 1
1 27 . 10 1 1 A 4 4 GLN HA H 4 4.291 4.166 0.125 1
1 34 . 10 1 1 A 4 4 GLN CA C 4 55.615 56.483 -0.868 1
1 35 . 10 1 1 A 4 4 GLN CB C 4 29.590 27.620 1.970 1
1 37 . 10 1 1 A 4 4 GLN N N 4 124.855 117.444 7.411 1
1 39 . 10 1 1 A 5 5 ALA H H 5 8.334 8.471 -0.137 1
1 40 . 10 1 1 A 5 5 ALA HA H 5 4.568 4.893 -0.325 1
1 44 . 10 1 1 A 5 5 ALA CA C 5 50.464 49.085 1.379 1
1 45 . 10 1 1 A 5 5 ALA CB C 5 18.235 20.145 -1.910 1
1 46 . 10 1 1 A 5 5 ALA N N 5 127.159 125.783 1.376 1
1 47 . 10 1 1 A 6 6 PRO HA H 6 4.429 4.580 -0.151 1
1 53 . 10 1 1 A 6 6 PRO CA C 6 63.072 62.251 0.821 1
1 54 . 10 1 1 A 6 6 PRO CB C 6 32.220 29.612 2.608 1
1 57 . 10 1 1 A 7 7 GLU H H 7 8.363 8.403 -0.040 1
1 58 . 10 1 1 A 7 7 GLU HA H 7 4.280 3.954 0.326 1
1 62 . 10 1 1 A 7 7 GLU CA C 7 56.298 58.054 -1.756 1
1 63 . 10 1 1 A 7 7 GLU CB C 7 31.415 28.619 2.796 1
1 65 . 10 1 1 A 7 7 GLU N N 7 122.629 123.555 -0.926 1
1 66 . 10 1 1 A 8 8 THR H H 8 8.219 7.615 0.604 1
1 67 . 10 1 1 A 8 8 THR HA H 8 4.948 4.223 0.725 1
1 72 . 10 1 1 A 8 8 THR CA C 8 62.157 62.715 -0.558 1
1 73 . 10 1 1 A 8 8 THR CB C 8 70.658 68.110 2.548 1
1 75 . 10 1 1 A 8 8 THR N N 8 119.082 116.301 2.781 1
1 76 . 10 1 1 A 9 9 LYS H H 9 8.885 9.095 -0.210 1
1 77 . 10 1 1 A 9 9 LYS HA H 9 4.513 4.772 -0.259 1
1 86 . 10 1 1 A 9 9 LYS CA C 9 55.062 54.844 0.218 1
1 87 . 10 1 1 A 9 9 LYS CB C 9 35.316 35.071 0.245 1
1 91 . 10 1 1 A 9 9 LYS N N 9 128.038 125.857 2.181 1
1 92 . 10 1 1 A 10 10 ILE H H 10 8.550 8.703 -0.153 1
1 93 . 10 1 1 A 10 10 ILE HA H 10 5.029 4.681 0.348 1
1 103 . 10 1 1 A 10 10 ILE CA C 10 59.908 61.001 -1.093 1
1 104 . 10 1 1 A 10 10 ILE CB C 10 37.184 37.513 -0.329 1
1 108 . 10 1 1 A 10 10 ILE N N 10 124.813 124.976 -0.163 1
1 109 . 10 1 1 A 11 11 VAL H H 11 9.253 9.167 0.086 1
1 110 . 10 1 1 A 11 11 VAL HA H 11 4.970 4.795 0.175 1
1 118 . 10 1 1 A 11 11 VAL CA C 11 59.300 58.870 0.430 1
1 119 . 10 1 1 A 11 11 VAL CB C 11 35.700 35.175 0.525 1
1 122 . 10 1 1 A 11 11 VAL N N 11 121.581 122.076 -0.495 1
1 123 . 10 1 1 A 12 12 ASP H H 12 8.471 8.843 -0.372 1
1 124 . 10 1 1 A 12 12 ASP HA H 12 4.825 4.623 0.202 1
1 127 . 10 1 1 A 12 12 ASP CA C 12 53.836 54.271 -0.435 1
1 128 . 10 1 1 A 12 12 ASP CB C 12 41.671 41.741 -0.070 1
1 129 . 10 1 1 A 12 12 ASP N N 12 118.084 120.794 -2.710 1
1 130 . 10 1 1 A 13 13 LYS H H 13 7.170 7.694 -0.524 1
1 131 . 10 1 1 A 13 13 LYS HA H 13 4.679 4.610 0.069 1
1 140 . 10 1 1 A 13 13 LYS CA C 13 54.180 54.694 -0.514 1
1 141 . 10 1 1 A 13 13 LYS CB C 13 35.890 34.050 1.840 1
1 145 . 10 1 1 A 13 13 LYS N N 13 117.300 120.908 -3.608 1
1 146 . 10 1 1 A 14 14 SER H H 14 8.254 8.769 -0.515 1
1 147 . 10 1 1 A 14 14 SER HA H 14 4.170 4.543 -0.373 1
1 150 . 10 1 1 A 14 14 SER CA C 14 60.024 59.691 0.333 1
1 151 . 10 1 1 A 14 14 SER CB C 14 63.593 64.267 -0.674 1
1 152 . 10 1 1 A 14 14 SER N N 14 111.308 116.933 -5.625 1
1 153 . 10 1 1 A 15 15 ARG H H 15 7.110 7.803 -0.693 1
1 154 . 10 1 1 A 15 15 ARG HA H 15 5.297 5.466 -0.169 1
1 161 . 10 1 1 A 15 15 ARG CA C 15 55.163 55.022 0.141 1
1 162 . 10 1 1 A 15 15 ARG CB C 15 31.260 32.582 -1.322 1
1 165 . 10 1 1 A 15 15 ARG N N 15 121.362 118.904 2.458 1
1 166 . 10 1 1 A 16 16 VAL H H 16 8.809 8.922 -0.113 1
1 167 . 10 1 1 A 16 16 VAL HA H 16 4.450 4.531 -0.081 1
1 175 . 10 1 1 A 16 16 VAL CA C 16 59.600 60.603 -1.003 1
1 176 . 10 1 1 A 16 16 VAL CB C 16 35.800 34.523 1.277 1
1 179 . 10 1 1 A 16 16 VAL N N 16 124.300 124.672 -0.372 1
1 180 . 10 1 1 A 17 17 ALA H H 17 8.009 8.192 -0.183 1
1 181 . 10 1 1 A 17 17 ALA HA H 17 4.322 4.125 0.197 1
1 185 . 10 1 1 A 17 17 ALA CA C 17 49.691 50.064 -0.373 1
1 186 . 10 1 1 A 17 17 ALA CB C 17 17.652 18.959 -1.307 1
1 187 . 10 1 1 A 17 17 ALA N N 17 127.911 128.139 -0.228 1
1 188 . 10 1 1 A 18 18 CYS H H 18 8.814 8.928 -0.114 1
1 189 . 10 1 1 A 18 18 CYS HA H 18 4.492 4.551 -0.059 1
1 192 . 10 1 1 A 18 18 CYS CA C 18 59.650 57.363 2.287 1
1 193 . 10 1 1 A 18 18 CYS CB C 18 31.882 26.670 5.212 1
1 194 . 10 1 1 A 18 18 CYS N N 18 123.363 123.835 -0.472 1
1 195 . 10 1 1 A 19 19 ASP H H 19 8.528 9.010 -0.482 1
1 196 . 10 1 1 A 19 19 ASP HA H 19 4.489 4.545 -0.056 1
1 199 . 10 1 1 A 19 19 ASP CA C 19 53.107 55.949 -2.842 1
1 200 . 10 1 1 A 19 19 ASP CB C 19 42.346 40.772 1.574 1
1 201 . 10 1 1 A 19 19 ASP N N 19 128.758 126.986 1.772 1
1 202 . 10 1 1 A 20 20 GLY H H 20 9.037 7.418 1.619 1
1 203 . 10 1 1 A 20 20 GLY HA2 H 20 4.079 4.132 -0.053 1
1 204 . 10 1 1 A 20 20 GLY HA3 H 20 3.906 4.178 -0.272 1
1 205 . 10 1 1 A 20 20 GLY CA C 20 45.894 45.487 0.407 1
1 206 . 10 1 1 A 20 20 GLY N N 20 115.047 103.206 11.841 1
1 207 . 10 1 1 A 21 21 GLY H H 21 7.336 8.718 -1.382 1
1 208 . 10 1 1 A 21 21 GLY HA2 H 21 4.246 4.063 0.183 1
1 209 . 10 1 1 A 21 21 GLY HA3 H 21 3.612 4.063 -0.451 1
1 210 . 10 1 1 A 21 21 GLY CA C 21 44.222 45.317 -1.095 1
1 211 . 10 1 1 A 21 21 GLY N N 21 109.000 108.998 0.002 1
1 212 . 10 1 1 A 22 22 GLU H H 22 8.359 8.210 0.149 1
1 213 . 10 1 1 A 22 22 GLU HA H 22 4.192 4.412 -0.220 1
1 218 . 10 1 1 A 22 22 GLU CA C 22 56.200 55.423 0.777 1
1 219 . 10 1 1 A 22 22 GLU CB C 22 30.746 30.458 0.288 1
1 221 . 10 1 1 A 22 22 GLU N N 22 118.322 121.406 -3.084 1
1 222 . 10 1 1 A 23 23 GLY H H 23 8.809 8.583 0.226 1
1 223 . 10 1 1 A 23 23 GLY HA2 H 23 3.780 3.725 0.055 1
1 224 . 10 1 1 A 23 23 GLY HA3 H 23 3.835 3.732 0.103 1
1 225 . 10 1 1 A 23 23 GLY CA C 23 46.688 47.489 -0.801 1
1 226 . 10 1 1 A 23 23 GLY N N 23 111.934 111.041 0.893 1
1 227 . 10 1 1 A 24 24 ALA H H 24 8.995 7.963 1.032 1
1 228 . 10 1 1 A 24 24 ALA HA H 24 4.246 3.980 0.266 1
1 232 . 10 1 1 A 24 24 ALA CA C 24 53.645 54.467 -0.822 1
1 233 . 10 1 1 A 24 24 ALA CB C 24 18.641 18.449 0.192 1
1 234 . 10 1 1 A 24 24 ALA N N 24 129.183 124.858 4.325 1
1 235 . 10 1 1 A 25 25 LEU H H 25 7.780 7.479 0.301 1
1 236 . 10 1 1 A 25 25 LEU HA H 25 4.407 4.278 0.129 1
1 246 . 10 1 1 A 25 25 LEU CA C 25 54.551 54.547 0.004 1
1 247 . 10 1 1 A 25 25 LEU CB C 25 41.305 41.623 -0.318 1
1 251 . 10 1 1 A 25 25 LEU N N 25 116.850 115.087 1.763 1
1 252 . 10 1 1 A 26 26 GLY H H 26 7.808 7.608 0.200 1
1 253 . 10 1 1 A 26 26 GLY HA2 H 26 4.313 3.997 0.316 1
1 254 . 10 1 1 A 26 26 GLY HA3 H 26 3.685 4.032 -0.347 1
1 255 . 10 1 1 A 26 26 GLY CA C 26 45.895 44.693 1.202 1
1 256 . 10 1 1 A 26 26 GLY N N 26 110.392 107.684 2.708 1
1 257 . 10 1 1 A 27 27 HIS H H 27 7.626 8.275 -0.649 1
1 258 . 10 1 1 A 27 27 HIS HA H 27 4.999 4.924 0.075 1
1 263 . 10 1 1 A 27 27 HIS CA C 27 53.604 53.850 -0.246 1
1 264 . 10 1 1 A 27 27 HIS CB C 27 28.333 32.944 -4.611 1
1 267 . 10 1 1 A 27 27 HIS N N 27 118.046 118.771 -0.725 1
1 268 . 10 1 1 A 28 28 PRO HA H 28 4.270 4.424 -0.154 1
1 275 . 10 1 1 A 28 28 PRO CA C 28 63.293 63.401 -0.108 1
1 276 . 10 1 1 A 28 28 PRO CB C 28 31.916 31.402 0.514 1
1 279 . 10 1 1 A 29 29 ARG H H 29 8.464 8.073 0.391 1
1 280 . 10 1 1 A 29 29 ARG HA H 29 4.350 3.895 0.455 1
1 288 . 10 1 1 A 29 29 ARG CA C 29 58.043 56.937 1.106 1
1 289 . 10 1 1 A 29 29 ARG CB C 29 30.269 28.713 1.556 1
1 292 . 10 1 1 A 29 29 ARG N N 29 125.844 118.297 7.547 1
1 294 . 10 1 1 A 30 30 VAL H H 30 8.472 8.402 0.070 1
1 295 . 10 1 1 A 30 30 VAL HA H 30 4.540 4.665 -0.125 1
1 303 . 10 1 1 A 30 30 VAL CA C 30 59.500 61.085 -1.585 1
1 304 . 10 1 1 A 30 30 VAL CB C 30 35.700 34.449 1.251 1
1 307 . 10 1 1 A 30 30 VAL N N 30 125.322 123.760 1.562 1
1 308 . 10 1 1 A 31 31 TRP H H 31 8.648 9.104 -0.456 1
1 309 . 10 1 1 A 31 31 TRP HA H 31 4.864 5.478 -0.614 1
1 318 . 10 1 1 A 31 31 TRP CA C 31 56.885 55.109 1.776 1
1 319 . 10 1 1 A 31 31 TRP CB C 31 29.922 31.040 -1.118 1
1 325 . 10 1 1 A 31 31 TRP N N 31 125.162 128.706 -3.544 1
1 327 . 10 1 1 A 32 32 LEU H H 32 9.634 9.161 0.473 1
1 328 . 10 1 1 A 32 32 LEU HA H 32 4.701 5.195 -0.494 1
1 338 . 10 1 1 A 32 32 LEU CA C 32 53.078 53.187 -0.109 1
1 339 . 10 1 1 A 32 32 LEU CB C 32 44.467 44.958 -0.491 1
1 343 . 10 1 1 A 32 32 LEU N N 32 125.975 124.594 1.381 1
1 344 . 10 1 1 A 33 33 GLN H H 33 8.446 8.807 -0.361 1
1 345 . 10 1 1 A 33 33 GLN HA H 33 5.027 4.984 0.043 1
1 352 . 10 1 1 A 33 33 GLN CA C 33 53.279 54.414 -1.135 1
1 353 . 10 1 1 A 33 33 GLN CB C 33 30.512 31.152 -0.640 1
1 355 . 10 1 1 A 33 33 GLN N N 33 121.000 122.297 -1.297 1
1 357 . 10 1 1 A 34 34 ILE H H 34 9.377 8.956 0.421 1
1 358 . 10 1 1 A 34 34 ILE HA H 34 3.900 4.109 -0.209 1
1 368 . 10 1 1 A 34 34 ILE CA C 34 60.335 60.566 -0.231 1
1 369 . 10 1 1 A 34 34 ILE CB C 34 38.613 38.618 -0.005 1
1 373 . 10 1 1 A 34 34 ILE N N 34 128.325 127.316 1.009 1
1 374 . 10 1 1 A 35 35 PRO HA H 35 4.471 4.695 -0.224 1
1 381 . 10 1 1 A 35 35 PRO CA C 35 62.744 62.701 0.043 1
1 382 . 10 1 1 A 35 35 PRO CB C 35 32.282 31.648 0.634 1
1 385 . 10 1 1 A 36 36 GLU H H 36 8.971 8.635 0.336 1
1 386 . 10 1 1 A 36 36 GLU HA H 36 3.918 3.954 -0.036 1
1 391 . 10 1 1 A 36 36 GLU CA C 36 59.030 60.094 -1.064 1
1 392 . 10 1 1 A 36 36 GLU CB C 36 29.791 29.411 0.380 1
1 394 . 10 1 1 A 36 36 GLU N N 36 124.755 123.134 1.621 1
1 395 . 10 1 1 A 37 37 ASP H H 37 8.657 7.784 0.873 1
1 396 . 10 1 1 A 37 37 ASP HA H 37 4.421 4.535 -0.114 1
1 399 . 10 1 1 A 37 37 ASP CA C 37 55.552 55.111 0.441 1
1 400 . 10 1 1 A 37 37 ASP CB C 37 39.824 40.583 -0.759 1
1 401 . 10 1 1 A 37 37 ASP N N 37 114.541 119.375 -4.834 1
1 402 . 10 1 1 A 38 38 THR H H 38 7.498 7.565 -0.067 1
1 403 . 10 1 1 A 38 38 THR HA H 38 4.415 4.531 -0.116 1
1 408 . 10 1 1 A 38 38 THR CA C 38 62.748 62.284 0.464 1
1 409 . 10 1 1 A 38 38 THR CB C 38 69.280 70.732 -1.452 1
1 411 . 10 1 1 A 38 38 THR N N 38 109.405 109.057 0.348 1
1 412 . 10 1 1 A 39 39 GLY H H 39 7.967 8.637 -0.670 1
1 413 . 10 1 1 A 39 39 GLY HA2 H 39 4.446 3.922 0.524 1
1 414 . 10 1 1 A 39 39 GLY HA3 H 39 3.619 3.991 -0.372 1
1 415 . 10 1 1 A 39 39 GLY CA C 39 46.428 45.407 1.021 1
1 416 . 10 1 1 A 39 39 GLY N N 39 108.005 110.774 -2.769 1
1 417 . 10 1 1 A 40 40 TRP H H 40 7.442 6.974 0.468 1
1 418 . 10 1 1 A 40 40 TRP HA H 40 5.960 5.667 0.293 1
1 427 . 10 1 1 A 40 40 TRP CA C 40 54.581 55.679 -1.098 1
1 428 . 10 1 1 A 40 40 TRP CB C 40 33.231 31.657 1.574 1
1 434 . 10 1 1 A 40 40 TRP N N 40 114.404 116.798 -2.394 1
1 436 . 10 1 1 A 41 41 VAL H H 41 9.317 8.952 0.365 1
1 437 . 10 1 1 A 41 41 VAL HA H 41 4.260 4.864 -0.604 1
1 445 . 10 1 1 A 41 41 VAL CA C 41 60.900 60.146 0.754 1
1 446 . 10 1 1 A 41 41 VAL CB C 41 36.400 35.987 0.413 1
1 449 . 10 1 1 A 41 41 VAL N N 41 119.203 121.296 -2.093 1
1 450 . 10 1 1 A 42 42 GLU H H 42 8.635 9.183 -0.548 1
1 451 . 10 1 1 A 42 42 GLU HA H 42 5.559 5.331 0.228 1
1 456 . 10 1 1 A 42 42 GLU CA C 42 53.676 55.025 -1.349 1
1 457 . 10 1 1 A 42 42 GLU CB C 42 32.534 32.841 -0.307 1
1 459 . 10 1 1 A 42 42 GLU N N 42 125.457 128.178 -2.721 1
1 460 . 10 1 1 A 43 43 CYS H H 43 9.018 9.011 0.007 1
1 461 . 10 1 1 A 43 43 CYS HA H 43 4.710 4.736 -0.026 1
1 464 . 10 1 1 A 43 43 CYS CA C 43 56.955 56.547 0.408 1
1 465 . 10 1 1 A 43 43 CYS CB C 43 31.650 29.148 2.502 1
1 466 . 10 1 1 A 43 43 CYS N N 43 127.165 125.920 1.245 1
1 467 . 10 1 1 A 44 44 PRO HA H 44 4.455 4.412 0.043 1
1 474 . 10 1 1 A 44 44 PRO CA C 44 64.002 64.088 -0.086 1
1 475 . 10 1 1 A 44 44 PRO CB C 44 31.979 31.489 0.490 1
1 478 . 10 1 1 A 45 45 TYR H H 45 9.205 7.486 1.719 1
1 479 . 10 1 1 A 45 45 TYR HA H 45 4.477 4.453 0.024 1
1 486 . 10 1 1 A 45 45 TYR CA C 45 59.357 59.651 -0.294 1
1 487 . 10 1 1 A 45 45 TYR CB C 45 38.009 39.773 -1.764 1
1 492 . 10 1 1 A 45 45 TYR N N 45 120.751 115.414 5.337 1
1 493 . 10 1 1 A 46 46 CYS H H 46 8.097 7.608 0.489 1
1 494 . 10 1 1 A 46 46 CYS HA H 46 5.092 4.731 0.361 1
1 497 . 10 1 1 A 46 46 CYS CA C 46 58.497 58.170 0.327 1
1 498 . 10 1 1 A 46 46 CYS CB C 46 32.055 27.846 4.209 1
1 499 . 10 1 1 A 46 46 CYS N N 46 117.233 117.430 -0.197 1
1 500 . 10 1 1 A 47 47 ASP H H 47 7.967 8.017 -0.050 1
1 501 . 10 1 1 A 47 47 ASP HA H 47 4.629 4.523 0.106 1
1 504 . 10 1 1 A 47 47 ASP CA C 47 56.076 55.494 0.582 1
1 505 . 10 1 1 A 47 47 ASP CB C 47 39.369 39.402 -0.033 1
1 506 . 10 1 1 A 47 47 ASP N N 47 118.439 118.581 -0.142 1
1 507 . 10 1 1 A 48 48 CYS H H 48 8.364 7.770 0.594 1
1 508 . 10 1 1 A 48 48 CYS HA H 48 4.175 4.656 -0.481 1
1 511 . 10 1 1 A 48 48 CYS CA C 48 61.629 57.965 3.664 1
1 512 . 10 1 1 A 48 48 CYS CB C 48 28.528 29.225 -0.697 1
1 513 . 10 1 1 A 48 48 CYS N N 48 121.540 117.461 4.079 1
1 514 . 10 1 1 A 49 49 LYS H H 49 8.542 8.526 0.016 1
1 515 . 10 1 1 A 49 49 LYS HA H 49 4.956 5.147 -0.191 1
1 524 . 10 1 1 A 49 49 LYS CA C 49 55.388 54.645 0.743 1
1 525 . 10 1 1 A 49 49 LYS CB C 49 34.179 33.916 0.263 1
1 529 . 10 1 1 A 49 49 LYS N N 49 129.258 125.182 4.076 1
1 530 . 10 1 1 A 50 50 TYR H H 50 9.320 9.402 -0.082 1
1 531 . 10 1 1 A 50 50 TYR HA H 50 5.264 5.248 0.016 1
1 538 . 10 1 1 A 50 50 TYR CA C 50 57.636 57.185 0.451 1
1 539 . 10 1 1 A 50 50 TYR CB C 50 40.412 39.292 1.120 1
1 544 . 10 1 1 A 50 50 TYR N N 50 125.926 127.600 -1.674 1
1 545 . 10 1 1 A 51 51 VAL H H 51 8.925 9.243 -0.318 1
1 546 . 10 1 1 A 51 51 VAL HA H 51 4.824 4.768 0.056 1
1 554 . 10 1 1 A 51 51 VAL CA C 51 59.968 62.039 -2.071 1
1 555 . 10 1 1 A 51 51 VAL CB C 51 35.624 33.212 2.412 1
1 558 . 10 1 1 A 51 51 VAL N N 51 122.631 124.958 -2.327 1
1 559 . 10 1 1 A 52 52 LEU H H 52 8.771 8.925 -0.154 1
1 560 . 10 1 1 A 52 52 LEU HA H 52 4.496 4.994 -0.498 1
1 570 . 10 1 1 A 52 52 LEU CA C 52 54.163 54.558 -0.395 1
1 571 . 10 1 1 A 52 52 LEU CB C 52 43.220 42.997 0.223 1
1 575 . 10 1 1 A 52 52 LEU N N 52 127.249 130.030 -2.781 1
1 576 . 10 1 1 A 53 53 LYS H H 53 9.317 8.963 0.354 1
1 577 . 10 1 1 A 53 53 LYS HA H 53 4.028 4.015 0.013 1
1 586 . 10 1 1 A 53 53 LYS CA C 53 57.885 58.338 -0.453 1
1 587 . 10 1 1 A 53 53 LYS CB C 53 32.819 32.038 0.781 1
1 591 . 10 1 1 A 53 53 LYS N N 53 132.446 127.068 5.378 1
1 592 . 10 1 1 A 54 54 GLY H H 54 10.642 8.877 1.765 1
1 593 . 10 1 1 A 54 54 GLY HA2 H 54 4.195 4.015 0.180 1
1 594 . 10 1 1 A 54 54 GLY HA3 H 54 3.817 4.017 -0.200 1
1 595 . 10 1 1 A 54 54 GLY CA C 54 45.390 44.983 0.407 1
1 596 . 10 1 1 A 54 54 GLY N N 54 117.440 115.164 2.276 1
1 597 . 10 1 1 A 55 55 SER H H 55 7.996 7.918 0.078 1
1 598 . 10 1 1 A 55 55 SER HA H 55 4.623 4.659 -0.036 1
1 601 . 10 1 1 A 55 55 SER CA C 55 58.553 57.261 1.292 1
1 602 . 10 1 1 A 55 55 SER CB C 55 66.037 65.064 0.973 1
1 603 . 10 1 1 A 55 55 SER N N 55 115.895 115.525 0.370 1
1 604 . 10 1 1 A 56 56 LYS H H 56 9.018 9.077 -0.059 1
1 605 . 10 1 1 A 56 56 LYS HA H 56 4.115 4.009 0.106 1
1 614 . 10 1 1 A 56 56 LYS CA C 56 58.716 59.077 -0.361 1
1 615 . 10 1 1 A 56 56 LYS CB C 56 32.311 32.237 0.074 1
1 619 . 10 1 1 A 56 56 LYS N N 56 120.334 123.242 -2.908 1
1 620 . 10 1 1 A 57 57 ALA H H 57 7.590 8.092 -0.502 1
1 621 . 10 1 1 A 57 57 ALA HA H 57 4.318 4.143 0.175 1
1 625 . 10 1 1 A 57 57 ALA CA C 57 53.124 54.364 -1.240 1
1 626 . 10 1 1 A 57 57 ALA CB C 57 20.015 18.304 1.711 1
1 627 . 10 1 1 A 57 57 ALA N N 57 119.501 121.926 -2.425 1
1 628 . 10 1 1 A 58 58 ASP H H 58 7.588 8.037 -0.449 1
1 629 . 10 1 1 A 58 58 ASP HA H 58 4.441 4.410 0.031 1
1 632 . 10 1 1 A 58 58 ASP CA C 58 54.193 56.224 -2.031 1
1 633 . 10 1 1 A 58 58 ASP CB C 58 41.066 40.858 0.208 1
1 634 . 10 1 1 A 58 58 ASP N N 58 120.195 119.331 0.864 1
1 635 . 10 1 1 A 59 59 ALA H H 59 7.840 7.324 0.516 1
1 636 . 10 1 1 A 59 59 ALA HA H 59 4.188 4.397 -0.209 1
1 640 . 10 1 1 A 59 59 ALA CA C 59 53.326 51.612 1.714 1
1 641 . 10 1 1 A 59 59 ALA CB C 59 19.094 17.420 1.674 1
1 642 . 10 1 1 A 59 59 ALA N N 59 124.358 119.974 4.384 1
1 643 . 10 1 1 A 60 60 LEU H H 60 8.078 7.915 0.163 1
1 644 . 10 1 1 A 60 60 LEU HA H 60 4.100 4.426 -0.326 1
1 654 . 10 1 1 A 60 60 LEU CA C 60 56.210 53.749 2.461 1
1 655 . 10 1 1 A 60 60 LEU CB C 60 41.973 44.132 -2.159 1
1 659 . 10 1 1 A 60 60 LEU N N 60 119.688 117.697 1.991 1
1 660 . 10 1 1 A 61 61 GLU H H 61 8.042 8.480 -0.438 1
1 661 . 10 1 1 A 61 61 GLU HA H 61 4.072 4.725 -0.653 1
1 666 . 10 1 1 A 61 61 GLU CA C 61 56.896 56.073 0.823 1
1 667 . 10 1 1 A 61 61 GLU CB C 61 29.776 30.282 -0.506 1
1 669 . 10 1 1 A 61 61 GLU N N 61 119.804 118.785 1.019 1
1 670 . 10 1 1 A 62 62 HIS H H 62 8.153 8.595 -0.442 1
1 671 . 10 1 1 A 62 62 HIS HA H 62 4.610 4.771 -0.161 1
1 674 . 10 1 1 A 62 62 HIS CA C 62 56.131 55.649 0.482 1
1 675 . 10 1 1 A 62 62 HIS CB C 62 29.250 31.840 -2.590 1
1 676 . 10 1 1 A 62 62 HIS N N 62 117.955 122.429 -4.474 1
1 677 . 10 1 1 A 63 63 HIS H H 63 8.324 8.222 0.102 1
1 678 . 10 1 1 A 63 63 HIS HA H 63 4.520 5.105 -0.585 1
1 681 . 10 1 1 A 63 63 HIS CA C 63 57.194 53.715 3.479 1
1 682 . 10 1 1 A 63 63 HIS CB C 63 29.761 32.495 -2.734 1
1 1 . 11 1 1 A 2 2 THR HA H 2 3.902 4.874 -0.972 1
1 6 . 11 1 1 A 2 2 THR CA C 2 61.460 61.352 0.108 1
1 7 . 11 1 1 A 2 2 THR CB C 2 69.379 71.286 -1.907 1
1 9 . 11 1 1 A 3 3 ILE H H 3 8.671 9.004 -0.333 1
1 10 . 11 1 1 A 3 3 ILE HA H 3 4.166 3.836 0.330 1
1 20 . 11 1 1 A 3 3 ILE CA C 3 61.569 64.069 -2.500 1
1 21 . 11 1 1 A 3 3 ILE CB C 3 38.770 38.928 -0.158 1
1 25 . 11 1 1 A 3 3 ILE N N 3 124.520 128.817 -4.297 1
1 26 . 11 1 1 A 4 4 GLN H H 4 8.477 8.055 0.422 1
1 27 . 11 1 1 A 4 4 GLN HA H 4 4.291 4.026 0.265 1
1 34 . 11 1 1 A 4 4 GLN CA C 4 55.615 58.346 -2.731 1
1 35 . 11 1 1 A 4 4 GLN CB C 4 29.590 27.231 2.359 1
1 37 . 11 1 1 A 4 4 GLN N N 4 124.855 120.507 4.348 1
1 39 . 11 1 1 A 5 5 ALA H H 5 8.334 8.045 0.289 1
1 40 . 11 1 1 A 5 5 ALA HA H 5 4.568 4.026 0.542 1
1 44 . 11 1 1 A 5 5 ALA CA C 5 50.464 52.828 -2.364 1
1 45 . 11 1 1 A 5 5 ALA CB C 5 18.235 17.198 1.037 1
1 46 . 11 1 1 A 5 5 ALA N N 5 127.159 122.280 4.879 1
1 47 . 11 1 1 A 6 6 PRO HA H 6 4.429 4.517 -0.088 1
1 53 . 11 1 1 A 6 6 PRO CA C 6 63.072 63.405 -0.333 1
1 54 . 11 1 1 A 6 6 PRO CB C 6 32.220 31.074 1.146 1
1 57 . 11 1 1 A 7 7 GLU H H 7 8.363 7.524 0.839 1
1 58 . 11 1 1 A 7 7 GLU HA H 7 4.280 4.540 -0.260 1
1 62 . 11 1 1 A 7 7 GLU CA C 7 56.298 54.424 1.874 1
1 63 . 11 1 1 A 7 7 GLU CB C 7 31.415 32.200 -0.785 1
1 65 . 11 1 1 A 7 7 GLU N N 7 122.629 121.844 0.785 1
1 66 . 11 1 1 A 8 8 THR H H 8 8.219 8.608 -0.389 1
1 67 . 11 1 1 A 8 8 THR HA H 8 4.948 4.249 0.699 1
1 72 . 11 1 1 A 8 8 THR CA C 8 62.157 63.826 -1.669 1
1 73 . 11 1 1 A 8 8 THR CB C 8 70.658 68.653 2.005 1
1 75 . 11 1 1 A 8 8 THR N N 8 119.082 115.950 3.132 1
1 76 . 11 1 1 A 9 9 LYS H H 9 8.885 9.186 -0.301 1
1 77 . 11 1 1 A 9 9 LYS HA H 9 4.513 4.892 -0.379 1
1 86 . 11 1 1 A 9 9 LYS CA C 9 55.062 54.859 0.203 1
1 87 . 11 1 1 A 9 9 LYS CB C 9 35.316 34.320 0.996 1
1 91 . 11 1 1 A 9 9 LYS N N 9 128.038 127.770 0.268 1
1 92 . 11 1 1 A 10 10 ILE H H 10 8.550 8.839 -0.289 1
1 93 . 11 1 1 A 10 10 ILE HA H 10 5.029 4.723 0.306 1
1 103 . 11 1 1 A 10 10 ILE CA C 10 59.908 60.843 -0.935 1
1 104 . 11 1 1 A 10 10 ILE CB C 10 37.184 36.717 0.467 1
1 108 . 11 1 1 A 10 10 ILE N N 10 124.813 127.942 -3.129 1
1 109 . 11 1 1 A 11 11 VAL H H 11 9.253 9.034 0.219 1
1 110 . 11 1 1 A 11 11 VAL HA H 11 4.970 4.892 0.078 1
1 118 . 11 1 1 A 11 11 VAL CA C 11 59.300 59.060 0.240 1
1 119 . 11 1 1 A 11 11 VAL CB C 11 35.700 34.484 1.216 1
1 122 . 11 1 1 A 11 11 VAL N N 11 121.581 124.005 -2.424 1
1 123 . 11 1 1 A 12 12 ASP H H 12 8.471 8.758 -0.287 1
1 124 . 11 1 1 A 12 12 ASP HA H 12 4.825 4.823 0.002 1
1 127 . 11 1 1 A 12 12 ASP CA C 12 53.836 54.494 -0.658 1
1 128 . 11 1 1 A 12 12 ASP CB C 12 41.671 41.520 0.151 1
1 129 . 11 1 1 A 12 12 ASP N N 12 118.084 121.205 -3.121 1
1 130 . 11 1 1 A 13 13 LYS H H 13 7.170 7.452 -0.282 1
1 131 . 11 1 1 A 13 13 LYS HA H 13 4.679 4.781 -0.102 1
1 140 . 11 1 1 A 13 13 LYS CA C 13 54.180 54.493 -0.313 1
1 141 . 11 1 1 A 13 13 LYS CB C 13 35.890 35.204 0.686 1
1 145 . 11 1 1 A 13 13 LYS N N 13 117.300 116.159 1.141 1
1 146 . 11 1 1 A 14 14 SER H H 14 8.254 8.603 -0.349 1
1 147 . 11 1 1 A 14 14 SER HA H 14 4.170 4.572 -0.402 1
1 150 . 11 1 1 A 14 14 SER CA C 14 60.024 59.617 0.407 1
1 151 . 11 1 1 A 14 14 SER CB C 14 63.593 64.428 -0.835 1
1 152 . 11 1 1 A 14 14 SER N N 14 111.308 115.117 -3.809 1
1 153 . 11 1 1 A 15 15 ARG H H 15 7.110 7.896 -0.786 1
1 154 . 11 1 1 A 15 15 ARG HA H 15 5.297 5.206 0.091 1
1 161 . 11 1 1 A 15 15 ARG CA C 15 55.163 54.946 0.217 1
1 162 . 11 1 1 A 15 15 ARG CB C 15 31.260 31.409 -0.149 1
1 165 . 11 1 1 A 15 15 ARG N N 15 121.362 120.392 0.970 1
1 166 . 11 1 1 A 16 16 VAL H H 16 8.809 8.877 -0.068 1
1 167 . 11 1 1 A 16 16 VAL HA H 16 4.450 4.643 -0.193 1
1 175 . 11 1 1 A 16 16 VAL CA C 16 59.600 60.645 -1.045 1
1 176 . 11 1 1 A 16 16 VAL CB C 16 35.800 34.714 1.086 1
1 179 . 11 1 1 A 16 16 VAL N N 16 124.300 125.080 -0.780 1
1 180 . 11 1 1 A 17 17 ALA H H 17 8.009 8.388 -0.379 1
1 181 . 11 1 1 A 17 17 ALA HA H 17 4.322 4.930 -0.608 1
1 185 . 11 1 1 A 17 17 ALA CA C 17 49.691 50.766 -1.075 1
1 186 . 11 1 1 A 17 17 ALA CB C 17 17.652 19.150 -1.498 1
1 187 . 11 1 1 A 17 17 ALA N N 17 127.911 128.497 -0.586 1
1 188 . 11 1 1 A 18 18 CYS H H 18 8.814 8.763 0.051 1
1 189 . 11 1 1 A 18 18 CYS HA H 18 4.492 4.764 -0.272 1
1 192 . 11 1 1 A 18 18 CYS CA C 18 59.650 58.636 1.014 1
1 193 . 11 1 1 A 18 18 CYS CB C 18 31.882 28.833 3.049 1
1 194 . 11 1 1 A 18 18 CYS N N 18 123.363 122.421 0.942 1
1 195 . 11 1 1 A 19 19 ASP H H 19 8.528 8.899 -0.371 1
1 196 . 11 1 1 A 19 19 ASP HA H 19 4.489 2.981 1.508 1
1 199 . 11 1 1 A 19 19 ASP CA C 19 53.107 54.228 -1.121 1
1 200 . 11 1 1 A 19 19 ASP CB C 19 42.346 38.878 3.468 1
1 201 . 11 1 1 A 19 19 ASP N N 19 128.758 122.387 6.371 1
1 202 . 11 1 1 A 20 20 GLY H H 20 9.037 7.849 1.188 1
1 203 . 11 1 1 A 20 20 GLY HA2 H 20 4.079 3.847 0.232 1
1 204 . 11 1 1 A 20 20 GLY HA3 H 20 3.906 4.018 -0.112 1
1 205 . 11 1 1 A 20 20 GLY CA C 20 45.894 44.715 1.179 1
1 206 . 11 1 1 A 20 20 GLY N N 20 115.047 110.651 4.396 1
1 207 . 11 1 1 A 21 21 GLY H H 21 7.336 8.353 -1.017 1
1 208 . 11 1 1 A 21 21 GLY HA2 H 21 4.246 4.020 0.226 1
1 209 . 11 1 1 A 21 21 GLY HA3 H 21 3.612 4.026 -0.414 1
1 210 . 11 1 1 A 21 21 GLY CA C 21 44.222 45.424 -1.202 1
1 211 . 11 1 1 A 21 21 GLY N N 21 109.000 110.857 -1.857 1
1 212 . 11 1 1 A 22 22 GLU H H 22 8.359 7.991 0.368 1
1 213 . 11 1 1 A 22 22 GLU HA H 22 4.192 4.655 -0.463 1
1 218 . 11 1 1 A 22 22 GLU CA C 22 56.200 55.239 0.961 1
1 219 . 11 1 1 A 22 22 GLU CB C 22 30.746 32.871 -2.125 1
1 221 . 11 1 1 A 22 22 GLU N N 22 118.322 120.153 -1.831 1
1 222 . 11 1 1 A 23 23 GLY H H 23 8.809 9.002 -0.193 1
1 223 . 11 1 1 A 23 23 GLY HA2 H 23 3.780 3.775 0.005 1
1 224 . 11 1 1 A 23 23 GLY HA3 H 23 3.835 3.777 0.058 1
1 225 . 11 1 1 A 23 23 GLY CA C 23 46.688 47.432 -0.744 1
1 226 . 11 1 1 A 23 23 GLY N N 23 111.934 112.240 -0.306 1
1 227 . 11 1 1 A 24 24 ALA H H 24 8.995 7.876 1.119 1
1 228 . 11 1 1 A 24 24 ALA HA H 24 4.246 4.046 0.200 1
1 232 . 11 1 1 A 24 24 ALA CA C 24 53.645 54.355 -0.710 1
1 233 . 11 1 1 A 24 24 ALA CB C 24 18.641 18.284 0.357 1
1 234 . 11 1 1 A 24 24 ALA N N 24 129.183 124.589 4.594 1
1 235 . 11 1 1 A 25 25 LEU H H 25 7.780 7.563 0.217 1
1 236 . 11 1 1 A 25 25 LEU HA H 25 4.407 4.533 -0.126 1
1 246 . 11 1 1 A 25 25 LEU CA C 25 54.551 54.301 0.250 1
1 247 . 11 1 1 A 25 25 LEU CB C 25 41.305 41.571 -0.266 1
1 251 . 11 1 1 A 25 25 LEU N N 25 116.850 114.771 2.079 1
1 252 . 11 1 1 A 26 26 GLY H H 26 7.808 7.539 0.269 1
1 253 . 11 1 1 A 26 26 GLY HA2 H 26 4.313 3.849 0.464 1
1 254 . 11 1 1 A 26 26 GLY HA3 H 26 3.685 3.881 -0.196 1
1 255 . 11 1 1 A 26 26 GLY CA C 26 45.895 46.387 -0.492 1
1 256 . 11 1 1 A 26 26 GLY N N 26 110.392 108.559 1.833 1
1 257 . 11 1 1 A 27 27 HIS H H 27 7.626 7.603 0.023 1
1 258 . 11 1 1 A 27 27 HIS HA H 27 4.999 4.257 0.742 1
1 263 . 11 1 1 A 27 27 HIS CA C 27 53.604 56.243 -2.639 1
1 264 . 11 1 1 A 27 27 HIS CB C 27 28.333 27.568 0.765 1
1 267 . 11 1 1 A 27 27 HIS N N 27 118.046 113.076 4.970 1
1 268 . 11 1 1 A 28 28 PRO HA H 28 4.270 4.230 0.040 1
1 275 . 11 1 1 A 28 28 PRO CA C 28 63.293 65.325 -2.032 1
1 276 . 11 1 1 A 28 28 PRO CB C 28 31.916 31.604 0.312 1
1 279 . 11 1 1 A 29 29 ARG H H 29 8.464 7.516 0.948 1
1 280 . 11 1 1 A 29 29 ARG HA H 29 4.350 4.318 0.032 1
1 288 . 11 1 1 A 29 29 ARG CA C 29 58.043 55.821 2.222 1
1 289 . 11 1 1 A 29 29 ARG CB C 29 30.269 31.410 -1.141 1
1 292 . 11 1 1 A 29 29 ARG N N 29 125.844 115.422 10.422 1
1 294 . 11 1 1 A 30 30 VAL H H 30 8.472 8.480 -0.008 1
1 295 . 11 1 1 A 30 30 VAL HA H 30 4.540 4.478 0.062 1
1 303 . 11 1 1 A 30 30 VAL CA C 30 59.500 61.660 -2.160 1
1 304 . 11 1 1 A 30 30 VAL CB C 30 35.700 33.913 1.787 1
1 307 . 11 1 1 A 30 30 VAL N N 30 125.322 124.776 0.546 1
1 308 . 11 1 1 A 31 31 TRP H H 31 8.648 8.872 -0.224 1
1 309 . 11 1 1 A 31 31 TRP HA H 31 4.864 5.327 -0.463 1
1 318 . 11 1 1 A 31 31 TRP CA C 31 56.885 56.409 0.476 1
1 319 . 11 1 1 A 31 31 TRP CB C 31 29.922 31.014 -1.092 1
1 325 . 11 1 1 A 31 31 TRP N N 31 125.162 128.049 -2.887 1
1 327 . 11 1 1 A 32 32 LEU H H 32 9.634 9.333 0.301 1
1 328 . 11 1 1 A 32 32 LEU HA H 32 4.701 5.160 -0.459 1
1 338 . 11 1 1 A 32 32 LEU CA C 32 53.078 53.182 -0.104 1
1 339 . 11 1 1 A 32 32 LEU CB C 32 44.467 43.522 0.945 1
1 343 . 11 1 1 A 32 32 LEU N N 32 125.975 124.889 1.086 1
1 344 . 11 1 1 A 33 33 GLN H H 33 8.446 8.867 -0.421 1
1 345 . 11 1 1 A 33 33 GLN HA H 33 5.027 4.737 0.290 1
1 352 . 11 1 1 A 33 33 GLN CA C 33 53.279 55.070 -1.791 1
1 353 . 11 1 1 A 33 33 GLN CB C 33 30.512 30.133 0.379 1
1 355 . 11 1 1 A 33 33 GLN N N 33 121.000 123.970 -2.970 1
1 357 . 11 1 1 A 34 34 ILE H H 34 9.377 8.978 0.399 1
1 358 . 11 1 1 A 34 34 ILE HA H 34 3.900 4.241 -0.341 1
1 368 . 11 1 1 A 34 34 ILE CA C 34 60.335 60.066 0.269 1
1 369 . 11 1 1 A 34 34 ILE CB C 34 38.613 38.375 0.238 1
1 373 . 11 1 1 A 34 34 ILE N N 34 128.325 127.487 0.838 1
1 374 . 11 1 1 A 35 35 PRO HA H 35 4.471 4.763 -0.292 1
1 381 . 11 1 1 A 35 35 PRO CA C 35 62.744 62.395 0.349 1
1 382 . 11 1 1 A 35 35 PRO CB C 35 32.282 32.285 -0.003 1
1 385 . 11 1 1 A 36 36 GLU H H 36 8.971 9.013 -0.042 1
1 386 . 11 1 1 A 36 36 GLU HA H 36 3.918 3.971 -0.053 1
1 391 . 11 1 1 A 36 36 GLU CA C 36 59.030 59.468 -0.438 1
1 392 . 11 1 1 A 36 36 GLU CB C 36 29.791 29.446 0.345 1
1 394 . 11 1 1 A 36 36 GLU N N 36 124.755 123.071 1.684 1
1 395 . 11 1 1 A 37 37 ASP H H 37 8.657 8.127 0.530 1
1 396 . 11 1 1 A 37 37 ASP HA H 37 4.421 4.407 0.014 1
1 399 . 11 1 1 A 37 37 ASP CA C 37 55.552 57.115 -1.563 1
1 400 . 11 1 1 A 37 37 ASP CB C 37 39.824 40.785 -0.961 1
1 401 . 11 1 1 A 37 37 ASP N N 37 114.541 118.472 -3.931 1
1 402 . 11 1 1 A 38 38 THR H H 38 7.498 7.566 -0.068 1
1 403 . 11 1 1 A 38 38 THR HA H 38 4.415 4.484 -0.069 1
1 408 . 11 1 1 A 38 38 THR CA C 38 62.748 62.386 0.362 1
1 409 . 11 1 1 A 38 38 THR CB C 38 69.280 70.569 -1.289 1
1 411 . 11 1 1 A 38 38 THR N N 38 109.405 107.271 2.134 1
1 412 . 11 1 1 A 39 39 GLY H H 39 7.967 8.556 -0.589 1
1 413 . 11 1 1 A 39 39 GLY HA2 H 39 4.446 3.930 0.516 1
1 414 . 11 1 1 A 39 39 GLY HA3 H 39 3.619 3.995 -0.376 1
1 415 . 11 1 1 A 39 39 GLY CA C 39 46.428 45.406 1.022 1
1 416 . 11 1 1 A 39 39 GLY N N 39 108.005 110.737 -2.732 1
1 417 . 11 1 1 A 40 40 TRP H H 40 7.442 7.083 0.359 1
1 418 . 11 1 1 A 40 40 TRP HA H 40 5.960 5.649 0.311 1
1 427 . 11 1 1 A 40 40 TRP CA C 40 54.581 55.508 -0.927 1
1 428 . 11 1 1 A 40 40 TRP CB C 40 33.231 31.532 1.699 1
1 434 . 11 1 1 A 40 40 TRP N N 40 114.404 116.542 -2.138 1
1 436 . 11 1 1 A 41 41 VAL H H 41 9.317 9.049 0.268 1
1 437 . 11 1 1 A 41 41 VAL HA H 41 4.260 4.801 -0.541 1
1 445 . 11 1 1 A 41 41 VAL CA C 41 60.900 60.423 0.477 1
1 446 . 11 1 1 A 41 41 VAL CB C 41 36.400 35.976 0.424 1
1 449 . 11 1 1 A 41 41 VAL N N 41 119.203 120.909 -1.706 1
1 450 . 11 1 1 A 42 42 GLU H H 42 8.635 8.951 -0.316 1
1 451 . 11 1 1 A 42 42 GLU HA H 42 5.559 5.444 0.115 1
1 456 . 11 1 1 A 42 42 GLU CA C 42 53.676 55.431 -1.755 1
1 457 . 11 1 1 A 42 42 GLU CB C 42 32.534 31.831 0.703 1
1 459 . 11 1 1 A 42 42 GLU N N 42 125.457 126.066 -0.609 1
1 460 . 11 1 1 A 43 43 CYS H H 43 9.018 8.635 0.383 1
1 461 . 11 1 1 A 43 43 CYS HA H 43 4.710 5.231 -0.521 1
1 464 . 11 1 1 A 43 43 CYS CA C 43 56.955 57.407 -0.452 1
1 465 . 11 1 1 A 43 43 CYS CB C 43 31.650 29.317 2.333 1
1 466 . 11 1 1 A 43 43 CYS N N 43 127.165 120.225 6.940 1
1 467 . 11 1 1 A 44 44 PRO HA H 44 4.455 4.416 0.039 1
1 474 . 11 1 1 A 44 44 PRO CA C 44 64.002 63.956 0.046 1
1 475 . 11 1 1 A 44 44 PRO CB C 44 31.979 31.823 0.156 1
1 478 . 11 1 1 A 45 45 TYR H H 45 9.205 8.144 1.061 1
1 479 . 11 1 1 A 45 45 TYR HA H 45 4.477 4.697 -0.220 1
1 486 . 11 1 1 A 45 45 TYR CA C 45 59.357 59.105 0.252 1
1 487 . 11 1 1 A 45 45 TYR CB C 45 38.009 39.870 -1.861 1
1 492 . 11 1 1 A 45 45 TYR N N 45 120.751 117.094 3.657 1
1 493 . 11 1 1 A 46 46 CYS H H 46 8.097 8.004 0.093 1
1 494 . 11 1 1 A 46 46 CYS HA H 46 5.092 4.640 0.452 1
1 497 . 11 1 1 A 46 46 CYS CA C 46 58.497 58.983 -0.486 1
1 498 . 11 1 1 A 46 46 CYS CB C 46 32.055 28.020 4.035 1
1 499 . 11 1 1 A 46 46 CYS N N 46 117.233 117.513 -0.280 1
1 500 . 11 1 1 A 47 47 ASP H H 47 7.967 8.136 -0.169 1
1 501 . 11 1 1 A 47 47 ASP HA H 47 4.629 4.322 0.307 1
1 504 . 11 1 1 A 47 47 ASP CA C 47 56.076 55.542 0.534 1
1 505 . 11 1 1 A 47 47 ASP CB C 47 39.369 39.497 -0.128 1
1 506 . 11 1 1 A 47 47 ASP N N 47 118.439 118.514 -0.075 1
1 507 . 11 1 1 A 48 48 CYS H H 48 8.364 7.606 0.758 1
1 508 . 11 1 1 A 48 48 CYS HA H 48 4.175 4.427 -0.252 1
1 511 . 11 1 1 A 48 48 CYS CA C 48 61.629 58.566 3.063 1
1 512 . 11 1 1 A 48 48 CYS CB C 48 28.528 27.970 0.558 1
1 513 . 11 1 1 A 48 48 CYS N N 48 121.540 117.745 3.795 1
1 514 . 11 1 1 A 49 49 LYS H H 49 8.542 8.436 0.106 1
1 515 . 11 1 1 A 49 49 LYS HA H 49 4.956 4.697 0.259 1
1 524 . 11 1 1 A 49 49 LYS CA C 49 55.388 54.859 0.529 1
1 525 . 11 1 1 A 49 49 LYS CB C 49 34.179 33.213 0.966 1
1 529 . 11 1 1 A 49 49 LYS N N 49 129.258 125.396 3.862 1
1 530 . 11 1 1 A 50 50 TYR H H 50 9.320 9.375 -0.055 1
1 531 . 11 1 1 A 50 50 TYR HA H 50 5.264 5.114 0.150 1
1 538 . 11 1 1 A 50 50 TYR CA C 50 57.636 57.732 -0.096 1
1 539 . 11 1 1 A 50 50 TYR CB C 50 40.412 38.371 2.041 1
1 544 . 11 1 1 A 50 50 TYR N N 50 125.926 127.317 -1.391 1
1 545 . 11 1 1 A 51 51 VAL H H 51 8.925 9.009 -0.084 1
1 546 . 11 1 1 A 51 51 VAL HA H 51 4.824 4.615 0.209 1
1 554 . 11 1 1 A 51 51 VAL CA C 51 59.968 62.398 -2.430 1
1 555 . 11 1 1 A 51 51 VAL CB C 51 35.624 32.693 2.931 1
1 558 . 11 1 1 A 51 51 VAL N N 51 122.631 125.549 -2.918 1
1 559 . 11 1 1 A 52 52 LEU H H 52 8.771 8.682 0.089 1
1 560 . 11 1 1 A 52 52 LEU HA H 52 4.496 4.648 -0.152 1
1 570 . 11 1 1 A 52 52 LEU CA C 52 54.163 55.005 -0.842 1
1 571 . 11 1 1 A 52 52 LEU CB C 52 43.220 42.750 0.470 1
1 575 . 11 1 1 A 52 52 LEU N N 52 127.249 130.342 -3.093 1
1 576 . 11 1 1 A 53 53 LYS H H 53 9.317 9.065 0.252 1
1 577 . 11 1 1 A 53 53 LYS HA H 53 4.028 3.954 0.074 1
1 586 . 11 1 1 A 53 53 LYS CA C 53 57.885 58.376 -0.491 1
1 587 . 11 1 1 A 53 53 LYS CB C 53 32.819 31.954 0.865 1
1 591 . 11 1 1 A 53 53 LYS N N 53 132.446 127.005 5.441 1
1 592 . 11 1 1 A 54 54 GLY H H 54 10.642 9.005 1.637 1
1 593 . 11 1 1 A 54 54 GLY HA2 H 54 4.195 3.962 0.233 1
1 594 . 11 1 1 A 54 54 GLY HA3 H 54 3.817 3.967 -0.150 1
1 595 . 11 1 1 A 54 54 GLY CA C 54 45.390 44.965 0.425 1
1 596 . 11 1 1 A 54 54 GLY N N 54 117.440 115.241 2.199 1
1 597 . 11 1 1 A 55 55 SER H H 55 7.996 7.939 0.057 1
1 598 . 11 1 1 A 55 55 SER HA H 55 4.623 4.713 -0.090 1
1 601 . 11 1 1 A 55 55 SER CA C 55 58.553 57.055 1.498 1
1 602 . 11 1 1 A 55 55 SER CB C 55 66.037 65.313 0.724 1
1 603 . 11 1 1 A 55 55 SER N N 55 115.895 115.633 0.262 1
1 604 . 11 1 1 A 56 56 LYS H H 56 9.018 8.722 0.296 1
1 605 . 11 1 1 A 56 56 LYS HA H 56 4.115 4.192 -0.077 1
1 614 . 11 1 1 A 56 56 LYS CA C 56 58.716 58.406 0.310 1
1 615 . 11 1 1 A 56 56 LYS CB C 56 32.311 32.172 0.139 1
1 619 . 11 1 1 A 56 56 LYS N N 56 120.334 125.157 -4.823 1
1 620 . 11 1 1 A 57 57 ALA H H 57 7.590 7.643 -0.053 1
1 621 . 11 1 1 A 57 57 ALA HA H 57 4.318 4.502 -0.184 1
1 625 . 11 1 1 A 57 57 ALA CA C 57 53.124 52.030 1.094 1
1 626 . 11 1 1 A 57 57 ALA CB C 57 20.015 19.743 0.272 1
1 627 . 11 1 1 A 57 57 ALA N N 57 119.501 121.290 -1.789 1
1 628 . 11 1 1 A 58 58 ASP H H 58 7.588 8.040 -0.452 1
1 629 . 11 1 1 A 58 58 ASP HA H 58 4.441 4.952 -0.511 1
1 632 . 11 1 1 A 58 58 ASP CA C 58 54.193 52.263 1.930 1
1 633 . 11 1 1 A 58 58 ASP CB C 58 41.066 43.866 -2.800 1
1 634 . 11 1 1 A 58 58 ASP N N 58 120.195 118.727 1.468 1
1 635 . 11 1 1 A 59 59 ALA H H 59 7.840 8.634 -0.794 1
1 636 . 11 1 1 A 59 59 ALA HA H 59 4.188 4.080 0.108 1
1 640 . 11 1 1 A 59 59 ALA CA C 59 53.326 52.911 0.415 1
1 641 . 11 1 1 A 59 59 ALA CB C 59 19.094 17.578 1.516 1
1 642 . 11 1 1 A 59 59 ALA N N 59 124.358 121.999 2.359 1
1 643 . 11 1 1 A 60 60 LEU H H 60 8.078 7.900 0.178 1
1 644 . 11 1 1 A 60 60 LEU HA H 60 4.100 4.202 -0.102 1
1 654 . 11 1 1 A 60 60 LEU CA C 60 56.210 57.448 -1.238 1
1 655 . 11 1 1 A 60 60 LEU CB C 60 41.973 41.802 0.171 1
1 659 . 11 1 1 A 60 60 LEU N N 60 119.688 116.546 3.142 1
1 660 . 11 1 1 A 61 61 GLU H H 61 8.042 7.881 0.161 1
1 661 . 11 1 1 A 61 61 GLU HA H 61 4.072 4.500 -0.428 1
1 666 . 11 1 1 A 61 61 GLU CA C 61 56.896 55.300 1.596 1
1 667 . 11 1 1 A 61 61 GLU CB C 61 29.776 27.520 2.256 1
1 669 . 11 1 1 A 61 61 GLU N N 61 119.804 119.472 0.332 1
1 670 . 11 1 1 A 62 62 HIS H H 62 8.153 8.135 0.018 1
1 671 . 11 1 1 A 62 62 HIS HA H 62 4.610 4.250 0.360 1
1 674 . 11 1 1 A 62 62 HIS CA C 62 56.131 58.642 -2.511 1
1 675 . 11 1 1 A 62 62 HIS CB C 62 29.250 30.055 -0.805 1
1 676 . 11 1 1 A 62 62 HIS N N 62 117.955 120.426 -2.471 1
1 677 . 11 1 1 A 63 63 HIS H H 63 8.324 7.819 0.505 1
1 678 . 11 1 1 A 63 63 HIS HA H 63 4.520 4.282 0.238 1
1 681 . 11 1 1 A 63 63 HIS CA C 63 57.194 56.636 0.558 1
1 682 . 11 1 1 A 63 63 HIS CB C 63 29.761 29.854 -0.093 1
1 1 . 12 1 1 A 2 2 THR HA H 2 3.902 4.350 -0.448 1
1 6 . 12 1 1 A 2 2 THR CA C 2 61.460 60.995 0.465 1
1 7 . 12 1 1 A 2 2 THR CB C 2 69.379 70.511 -1.132 1
1 9 . 12 1 1 A 3 3 ILE H H 3 8.671 8.828 -0.157 1
1 10 . 12 1 1 A 3 3 ILE HA H 3 4.166 3.756 0.410 1
1 20 . 12 1 1 A 3 3 ILE CA C 3 61.569 63.488 -1.919 1
1 21 . 12 1 1 A 3 3 ILE CB C 3 38.770 38.127 0.643 1
1 25 . 12 1 1 A 3 3 ILE N N 3 124.520 122.530 1.990 1
1 26 . 12 1 1 A 4 4 GLN H H 4 8.477 7.868 0.609 1
1 27 . 12 1 1 A 4 4 GLN HA H 4 4.291 4.285 0.006 1
1 34 . 12 1 1 A 4 4 GLN CA C 4 55.615 56.704 -1.089 1
1 35 . 12 1 1 A 4 4 GLN CB C 4 29.590 26.719 2.871 1
1 37 . 12 1 1 A 4 4 GLN N N 4 124.855 118.503 6.352 1
1 39 . 12 1 1 A 5 5 ALA H H 5 8.334 7.833 0.501 1
1 40 . 12 1 1 A 5 5 ALA HA H 5 4.568 4.386 0.182 1
1 44 . 12 1 1 A 5 5 ALA CA C 5 50.464 53.519 -3.055 1
1 45 . 12 1 1 A 5 5 ALA CB C 5 18.235 20.976 -2.741 1
1 46 . 12 1 1 A 5 5 ALA N N 5 127.159 119.834 7.325 1
1 47 . 12 1 1 A 6 6 PRO HA H 6 4.429 4.575 -0.146 1
1 53 . 12 1 1 A 6 6 PRO CA C 6 63.072 63.887 -0.815 1
1 54 . 12 1 1 A 6 6 PRO CB C 6 32.220 32.432 -0.212 1
1 57 . 12 1 1 A 7 7 GLU H H 7 8.363 7.904 0.459 1
1 58 . 12 1 1 A 7 7 GLU HA H 7 4.280 4.504 -0.224 1
1 62 . 12 1 1 A 7 7 GLU CA C 7 56.298 55.768 0.530 1
1 63 . 12 1 1 A 7 7 GLU CB C 7 31.415 29.271 2.144 1
1 65 . 12 1 1 A 7 7 GLU N N 7 122.629 121.299 1.330 1
1 66 . 12 1 1 A 8 8 THR H H 8 8.219 8.228 -0.009 1
1 67 . 12 1 1 A 8 8 THR HA H 8 4.948 5.265 -0.317 1
1 72 . 12 1 1 A 8 8 THR CA C 8 62.157 61.067 1.090 1
1 73 . 12 1 1 A 8 8 THR CB C 8 70.658 72.203 -1.545 1
1 75 . 12 1 1 A 8 8 THR N N 8 119.082 121.274 -2.192 1
1 76 . 12 1 1 A 9 9 LYS H H 9 8.885 9.253 -0.368 1
1 77 . 12 1 1 A 9 9 LYS HA H 9 4.513 4.898 -0.385 1
1 86 . 12 1 1 A 9 9 LYS CA C 9 55.062 54.924 0.138 1
1 87 . 12 1 1 A 9 9 LYS CB C 9 35.316 35.462 -0.146 1
1 91 . 12 1 1 A 9 9 LYS N N 9 128.038 123.447 4.591 1
1 92 . 12 1 1 A 10 10 ILE H H 10 8.550 8.962 -0.412 1
1 93 . 12 1 1 A 10 10 ILE HA H 10 5.029 4.770 0.259 1
1 103 . 12 1 1 A 10 10 ILE CA C 10 59.908 60.413 -0.505 1
1 104 . 12 1 1 A 10 10 ILE CB C 10 37.184 37.429 -0.245 1
1 108 . 12 1 1 A 10 10 ILE N N 10 124.813 125.419 -0.606 1
1 109 . 12 1 1 A 11 11 VAL H H 11 9.253 8.628 0.625 1
1 110 . 12 1 1 A 11 11 VAL HA H 11 4.970 4.835 0.135 1
1 118 . 12 1 1 A 11 11 VAL CA C 11 59.300 59.524 -0.224 1
1 119 . 12 1 1 A 11 11 VAL CB C 11 35.700 34.383 1.317 1
1 122 . 12 1 1 A 11 11 VAL N N 11 121.581 125.954 -4.373 1
1 123 . 12 1 1 A 12 12 ASP H H 12 8.471 8.622 -0.151 1
1 124 . 12 1 1 A 12 12 ASP HA H 12 4.825 4.722 0.103 1
1 127 . 12 1 1 A 12 12 ASP CA C 12 53.836 56.288 -2.452 1
1 128 . 12 1 1 A 12 12 ASP CB C 12 41.671 42.408 -0.737 1
1 129 . 12 1 1 A 12 12 ASP N N 12 118.084 121.150 -3.066 1
1 130 . 12 1 1 A 13 13 LYS H H 13 7.170 7.730 -0.560 1
1 131 . 12 1 1 A 13 13 LYS HA H 13 4.679 4.551 0.128 1
1 140 . 12 1 1 A 13 13 LYS CA C 13 54.180 55.026 -0.846 1
1 141 . 12 1 1 A 13 13 LYS CB C 13 35.890 33.483 2.407 1
1 145 . 12 1 1 A 13 13 LYS N N 13 117.300 118.999 -1.699 1
1 146 . 12 1 1 A 14 14 SER H H 14 8.254 8.608 -0.354 1
1 147 . 12 1 1 A 14 14 SER HA H 14 4.170 4.510 -0.340 1
1 150 . 12 1 1 A 14 14 SER CA C 14 60.024 60.294 -0.270 1
1 151 . 12 1 1 A 14 14 SER CB C 14 63.593 63.999 -0.406 1
1 152 . 12 1 1 A 14 14 SER N N 14 111.308 115.986 -4.678 1
1 153 . 12 1 1 A 15 15 ARG H H 15 7.110 7.803 -0.693 1
1 154 . 12 1 1 A 15 15 ARG HA H 15 5.297 4.636 0.661 1
1 161 . 12 1 1 A 15 15 ARG CA C 15 55.163 55.914 -0.751 1
1 162 . 12 1 1 A 15 15 ARG CB C 15 31.260 30.900 0.360 1
1 165 . 12 1 1 A 15 15 ARG N N 15 121.362 120.022 1.340 1
1 166 . 12 1 1 A 16 16 VAL H H 16 8.809 9.149 -0.340 1
1 167 . 12 1 1 A 16 16 VAL HA H 16 4.450 4.513 -0.063 1
1 175 . 12 1 1 A 16 16 VAL CA C 16 59.600 60.994 -1.394 1
1 176 . 12 1 1 A 16 16 VAL CB C 16 35.800 33.444 2.356 1
1 179 . 12 1 1 A 16 16 VAL N N 16 124.300 125.271 -0.971 1
1 180 . 12 1 1 A 17 17 ALA H H 17 8.009 8.420 -0.411 1
1 181 . 12 1 1 A 17 17 ALA HA H 17 4.322 4.217 0.105 1
1 185 . 12 1 1 A 17 17 ALA CA C 17 49.691 51.123 -1.432 1
1 186 . 12 1 1 A 17 17 ALA CB C 17 17.652 18.142 -0.490 1
1 187 . 12 1 1 A 17 17 ALA N N 17 127.911 130.011 -2.100 1
1 188 . 12 1 1 A 18 18 CYS H H 18 8.814 8.648 0.166 1
1 189 . 12 1 1 A 18 18 CYS HA H 18 4.492 4.780 -0.288 1
1 192 . 12 1 1 A 18 18 CYS CA C 18 59.650 58.186 1.464 1
1 193 . 12 1 1 A 18 18 CYS CB C 18 31.882 26.103 5.779 1
1 194 . 12 1 1 A 18 18 CYS N N 18 123.363 123.998 -0.635 1
1 195 . 12 1 1 A 19 19 ASP H H 19 8.528 8.657 -0.129 1
1 196 . 12 1 1 A 19 19 ASP HA H 19 4.489 4.189 0.300 1
1 199 . 12 1 1 A 19 19 ASP CA C 19 53.107 55.450 -2.343 1
1 200 . 12 1 1 A 19 19 ASP CB C 19 42.346 39.258 3.088 1
1 201 . 12 1 1 A 19 19 ASP N N 19 128.758 124.150 4.608 1
1 202 . 12 1 1 A 20 20 GLY H H 20 9.037 7.902 1.135 1
1 203 . 12 1 1 A 20 20 GLY HA2 H 20 4.079 4.109 -0.030 1
1 204 . 12 1 1 A 20 20 GLY HA3 H 20 3.906 4.216 -0.310 1
1 205 . 12 1 1 A 20 20 GLY CA C 20 45.894 45.373 0.521 1
1 206 . 12 1 1 A 20 20 GLY N N 20 115.047 105.176 9.871 1
1 207 . 12 1 1 A 21 21 GLY H H 21 7.336 8.407 -1.071 1
1 208 . 12 1 1 A 21 21 GLY HA2 H 21 4.246 4.240 0.006 1
1 209 . 12 1 1 A 21 21 GLY HA3 H 21 3.612 4.245 -0.633 1
1 210 . 12 1 1 A 21 21 GLY CA C 21 44.222 46.060 -1.838 1
1 211 . 12 1 1 A 21 21 GLY N N 21 109.000 108.494 0.506 1
1 212 . 12 1 1 A 22 22 GLU H H 22 8.359 8.688 -0.329 1
1 213 . 12 1 1 A 22 22 GLU HA H 22 4.192 4.361 -0.169 1
1 218 . 12 1 1 A 22 22 GLU CA C 22 56.200 57.014 -0.814 1
1 219 . 12 1 1 A 22 22 GLU CB C 22 30.746 29.791 0.955 1
1 221 . 12 1 1 A 22 22 GLU N N 22 118.322 122.677 -4.355 1
1 222 . 12 1 1 A 23 23 GLY H H 23 8.809 8.924 -0.115 1
1 223 . 12 1 1 A 23 23 GLY HA2 H 23 3.780 3.841 -0.061 1
1 224 . 12 1 1 A 23 23 GLY HA3 H 23 3.835 3.843 -0.008 1
1 225 . 12 1 1 A 23 23 GLY CA C 23 46.688 47.213 -0.525 1
1 226 . 12 1 1 A 23 23 GLY N N 23 111.934 114.855 -2.921 1
1 227 . 12 1 1 A 24 24 ALA H H 24 8.995 8.847 0.148 1
1 228 . 12 1 1 A 24 24 ALA HA H 24 4.246 4.075 0.171 1
1 232 . 12 1 1 A 24 24 ALA CA C 24 53.645 53.931 -0.286 1
1 233 . 12 1 1 A 24 24 ALA CB C 24 18.641 18.619 0.022 1
1 234 . 12 1 1 A 24 24 ALA N N 24 129.183 129.075 0.108 1
1 235 . 12 1 1 A 25 25 LEU H H 25 7.780 7.760 0.020 1
1 236 . 12 1 1 A 25 25 LEU HA H 25 4.407 4.232 0.175 1
1 246 . 12 1 1 A 25 25 LEU CA C 25 54.551 55.006 -0.455 1
1 247 . 12 1 1 A 25 25 LEU CB C 25 41.305 42.439 -1.134 1
1 251 . 12 1 1 A 25 25 LEU N N 25 116.850 115.711 1.139 1
1 252 . 12 1 1 A 26 26 GLY H H 26 7.808 7.229 0.579 1
1 253 . 12 1 1 A 26 26 GLY HA2 H 26 4.313 3.889 0.424 1
1 254 . 12 1 1 A 26 26 GLY HA3 H 26 3.685 3.902 -0.217 1
1 255 . 12 1 1 A 26 26 GLY CA C 26 45.895 44.344 1.551 1
1 256 . 12 1 1 A 26 26 GLY N N 26 110.392 106.052 4.340 1
1 257 . 12 1 1 A 27 27 HIS H H 27 7.626 7.558 0.068 1
1 258 . 12 1 1 A 27 27 HIS HA H 27 4.999 4.804 0.195 1
1 263 . 12 1 1 A 27 27 HIS CA C 27 53.604 54.481 -0.877 1
1 264 . 12 1 1 A 27 27 HIS CB C 27 28.333 29.897 -1.564 1
1 267 . 12 1 1 A 27 27 HIS N N 27 118.046 121.671 -3.625 1
1 268 . 12 1 1 A 28 28 PRO HA H 28 4.270 4.643 -0.373 1
1 275 . 12 1 1 A 28 28 PRO CA C 28 63.293 62.481 0.812 1
1 276 . 12 1 1 A 28 28 PRO CB C 28 31.916 29.442 2.474 1
1 279 . 12 1 1 A 29 29 ARG H H 29 8.464 8.632 -0.168 1
1 280 . 12 1 1 A 29 29 ARG HA H 29 4.350 3.858 0.492 1
1 288 . 12 1 1 A 29 29 ARG CA C 29 58.043 56.874 1.169 1
1 289 . 12 1 1 A 29 29 ARG CB C 29 30.269 28.752 1.517 1
1 292 . 12 1 1 A 29 29 ARG N N 29 125.844 118.838 7.006 1
1 294 . 12 1 1 A 30 30 VAL H H 30 8.472 7.837 0.635 1
1 295 . 12 1 1 A 30 30 VAL HA H 30 4.540 4.719 -0.179 1
1 303 . 12 1 1 A 30 30 VAL CA C 30 59.500 60.774 -1.274 1
1 304 . 12 1 1 A 30 30 VAL CB C 30 35.700 33.040 2.660 1
1 307 . 12 1 1 A 30 30 VAL N N 30 125.322 116.346 8.976 1
1 308 . 12 1 1 A 31 31 TRP H H 31 8.648 9.043 -0.395 1
1 309 . 12 1 1 A 31 31 TRP HA H 31 4.864 5.206 -0.342 1
1 318 . 12 1 1 A 31 31 TRP CA C 31 56.885 55.395 1.490 1
1 319 . 12 1 1 A 31 31 TRP CB C 31 29.922 31.235 -1.313 1
1 325 . 12 1 1 A 31 31 TRP N N 31 125.162 127.260 -2.098 1
1 327 . 12 1 1 A 32 32 LEU H H 32 9.634 9.290 0.344 1
1 328 . 12 1 1 A 32 32 LEU HA H 32 4.701 5.239 -0.538 1
1 338 . 12 1 1 A 32 32 LEU CA C 32 53.078 53.157 -0.079 1
1 339 . 12 1 1 A 32 32 LEU CB C 32 44.467 44.967 -0.500 1
1 343 . 12 1 1 A 32 32 LEU N N 32 125.975 125.151 0.824 1
1 344 . 12 1 1 A 33 33 GLN H H 33 8.446 8.763 -0.317 1
1 345 . 12 1 1 A 33 33 GLN HA H 33 5.027 4.917 0.110 1
1 352 . 12 1 1 A 33 33 GLN CA C 33 53.279 54.986 -1.707 1
1 353 . 12 1 1 A 33 33 GLN CB C 33 30.512 30.195 0.317 1
1 355 . 12 1 1 A 33 33 GLN N N 33 121.000 123.911 -2.911 1
1 357 . 12 1 1 A 34 34 ILE H H 34 9.377 8.723 0.654 1
1 358 . 12 1 1 A 34 34 ILE HA H 34 3.900 4.146 -0.246 1
1 368 . 12 1 1 A 34 34 ILE CA C 34 60.335 60.358 -0.023 1
1 369 . 12 1 1 A 34 34 ILE CB C 34 38.613 38.521 0.092 1
1 373 . 12 1 1 A 34 34 ILE N N 34 128.325 127.592 0.733 1
1 374 . 12 1 1 A 35 35 PRO HA H 35 4.471 4.744 -0.273 1
1 381 . 12 1 1 A 35 35 PRO CA C 35 62.744 62.392 0.352 1
1 382 . 12 1 1 A 35 35 PRO CB C 35 32.282 32.436 -0.154 1
1 385 . 12 1 1 A 36 36 GLU H H 36 8.971 9.075 -0.104 1
1 386 . 12 1 1 A 36 36 GLU HA H 36 3.918 4.008 -0.090 1
1 391 . 12 1 1 A 36 36 GLU CA C 36 59.030 59.482 -0.452 1
1 392 . 12 1 1 A 36 36 GLU CB C 36 29.791 29.283 0.508 1
1 394 . 12 1 1 A 36 36 GLU N N 36 124.755 122.772 1.983 1
1 395 . 12 1 1 A 37 37 ASP H H 37 8.657 8.741 -0.084 1
1 396 . 12 1 1 A 37 37 ASP HA H 37 4.421 4.331 0.090 1
1 399 . 12 1 1 A 37 37 ASP CA C 37 55.552 56.586 -1.034 1
1 400 . 12 1 1 A 37 37 ASP CB C 37 39.824 39.548 0.276 1
1 401 . 12 1 1 A 37 37 ASP N N 37 114.541 117.247 -2.706 1
1 402 . 12 1 1 A 38 38 THR H H 38 7.498 7.563 -0.065 1
1 403 . 12 1 1 A 38 38 THR HA H 38 4.415 4.331 0.084 1
1 408 . 12 1 1 A 38 38 THR CA C 38 62.748 62.169 0.579 1
1 409 . 12 1 1 A 38 38 THR CB C 38 69.280 69.964 -0.684 1
1 411 . 12 1 1 A 38 38 THR N N 38 109.405 107.587 1.818 1
1 412 . 12 1 1 A 39 39 GLY H H 39 7.967 8.512 -0.545 1
1 413 . 12 1 1 A 39 39 GLY HA2 H 39 4.446 3.891 0.555 1
1 414 . 12 1 1 A 39 39 GLY HA3 H 39 3.619 3.939 -0.320 1
1 415 . 12 1 1 A 39 39 GLY CA C 39 46.428 45.307 1.121 1
1 416 . 12 1 1 A 39 39 GLY N N 39 108.005 110.648 -2.643 1
1 417 . 12 1 1 A 40 40 TRP H H 40 7.442 6.966 0.476 1
1 418 . 12 1 1 A 40 40 TRP HA H 40 5.960 5.520 0.440 1
1 427 . 12 1 1 A 40 40 TRP CA C 40 54.581 55.583 -1.002 1
1 428 . 12 1 1 A 40 40 TRP CB C 40 33.231 31.660 1.571 1
1 434 . 12 1 1 A 40 40 TRP N N 40 114.404 116.705 -2.301 1
1 436 . 12 1 1 A 41 41 VAL H H 41 9.317 9.262 0.055 1
1 437 . 12 1 1 A 41 41 VAL HA H 41 4.260 4.985 -0.725 1
1 445 . 12 1 1 A 41 41 VAL CA C 41 60.900 60.433 0.467 1
1 446 . 12 1 1 A 41 41 VAL CB C 41 36.400 35.350 1.050 1
1 449 . 12 1 1 A 41 41 VAL N N 41 119.203 121.363 -2.160 1
1 450 . 12 1 1 A 42 42 GLU H H 42 8.635 9.114 -0.479 1
1 451 . 12 1 1 A 42 42 GLU HA H 42 5.559 5.234 0.325 1
1 456 . 12 1 1 A 42 42 GLU CA C 42 53.676 55.614 -1.938 1
1 457 . 12 1 1 A 42 42 GLU CB C 42 32.534 30.586 1.948 1
1 459 . 12 1 1 A 42 42 GLU N N 42 125.457 128.328 -2.871 1
1 460 . 12 1 1 A 43 43 CYS H H 43 9.018 8.591 0.427 1
1 461 . 12 1 1 A 43 43 CYS HA H 43 4.710 4.690 0.020 1
1 464 . 12 1 1 A 43 43 CYS CA C 43 56.955 57.283 -0.328 1
1 465 . 12 1 1 A 43 43 CYS CB C 43 31.650 28.654 2.996 1
1 466 . 12 1 1 A 43 43 CYS N N 43 127.165 125.494 1.671 1
1 467 . 12 1 1 A 44 44 PRO HA H 44 4.455 4.411 0.044 1
1 474 . 12 1 1 A 44 44 PRO CA C 44 64.002 64.137 -0.135 1
1 475 . 12 1 1 A 44 44 PRO CB C 44 31.979 31.534 0.445 1
1 478 . 12 1 1 A 45 45 TYR H H 45 9.205 7.525 1.680 1
1 479 . 12 1 1 A 45 45 TYR HA H 45 4.477 4.206 0.271 1
1 486 . 12 1 1 A 45 45 TYR CA C 45 59.357 60.410 -1.053 1
1 487 . 12 1 1 A 45 45 TYR CB C 45 38.009 38.524 -0.515 1
1 492 . 12 1 1 A 45 45 TYR N N 45 120.751 115.789 4.962 1
1 493 . 12 1 1 A 46 46 CYS H H 46 8.097 7.944 0.153 1
1 494 . 12 1 1 A 46 46 CYS HA H 46 5.092 4.696 0.396 1
1 497 . 12 1 1 A 46 46 CYS CA C 46 58.497 59.227 -0.730 1
1 498 . 12 1 1 A 46 46 CYS CB C 46 32.055 29.232 2.823 1
1 499 . 12 1 1 A 46 46 CYS N N 46 117.233 116.500 0.733 1
1 500 . 12 1 1 A 47 47 ASP H H 47 7.967 8.400 -0.433 1
1 501 . 12 1 1 A 47 47 ASP HA H 47 4.629 4.221 0.408 1
1 504 . 12 1 1 A 47 47 ASP CA C 47 56.076 55.544 0.532 1
1 505 . 12 1 1 A 47 47 ASP CB C 47 39.369 40.343 -0.974 1
1 506 . 12 1 1 A 47 47 ASP N N 47 118.439 119.961 -1.522 1
1 507 . 12 1 1 A 48 48 CYS H H 48 8.364 7.346 1.018 1
1 508 . 12 1 1 A 48 48 CYS HA H 48 4.175 4.780 -0.605 1
1 511 . 12 1 1 A 48 48 CYS CA C 48 61.629 57.413 4.216 1
1 512 . 12 1 1 A 48 48 CYS CB C 48 28.528 30.879 -2.351 1
1 513 . 12 1 1 A 48 48 CYS N N 48 121.540 117.292 4.248 1
1 514 . 12 1 1 A 49 49 LYS H H 49 8.542 8.085 0.457 1
1 515 . 12 1 1 A 49 49 LYS HA H 49 4.956 4.793 0.163 1
1 524 . 12 1 1 A 49 49 LYS CA C 49 55.388 54.694 0.694 1
1 525 . 12 1 1 A 49 49 LYS CB C 49 34.179 33.837 0.342 1
1 529 . 12 1 1 A 49 49 LYS N N 49 129.258 124.137 5.121 1
1 530 . 12 1 1 A 50 50 TYR H H 50 9.320 9.381 -0.061 1
1 531 . 12 1 1 A 50 50 TYR HA H 50 5.264 5.338 -0.074 1
1 538 . 12 1 1 A 50 50 TYR CA C 50 57.636 56.880 0.756 1
1 539 . 12 1 1 A 50 50 TYR CB C 50 40.412 40.197 0.215 1
1 544 . 12 1 1 A 50 50 TYR N N 50 125.926 126.877 -0.951 1
1 545 . 12 1 1 A 51 51 VAL H H 51 8.925 9.466 -0.541 1
1 546 . 12 1 1 A 51 51 VAL HA H 51 4.824 4.661 0.163 1
1 554 . 12 1 1 A 51 51 VAL CA C 51 59.968 61.791 -1.823 1
1 555 . 12 1 1 A 51 51 VAL CB C 51 35.624 33.025 2.599 1
1 558 . 12 1 1 A 51 51 VAL N N 51 122.631 124.613 -1.982 1
1 559 . 12 1 1 A 52 52 LEU H H 52 8.771 8.825 -0.054 1
1 560 . 12 1 1 A 52 52 LEU HA H 52 4.496 4.785 -0.289 1
1 570 . 12 1 1 A 52 52 LEU CA C 52 54.163 54.791 -0.628 1
1 571 . 12 1 1 A 52 52 LEU CB C 52 43.220 42.834 0.386 1
1 575 . 12 1 1 A 52 52 LEU N N 52 127.249 130.308 -3.059 1
1 576 . 12 1 1 A 53 53 LYS H H 53 9.317 8.852 0.465 1
1 577 . 12 1 1 A 53 53 LYS HA H 53 4.028 3.985 0.043 1
1 586 . 12 1 1 A 53 53 LYS CA C 53 57.885 58.319 -0.434 1
1 587 . 12 1 1 A 53 53 LYS CB C 53 32.819 31.959 0.860 1
1 591 . 12 1 1 A 53 53 LYS N N 53 132.446 127.249 5.197 1
1 592 . 12 1 1 A 54 54 GLY H H 54 10.642 8.912 1.730 1
1 593 . 12 1 1 A 54 54 GLY HA2 H 54 4.195 3.934 0.261 1
1 594 . 12 1 1 A 54 54 GLY HA3 H 54 3.817 4.079 -0.262 1
1 595 . 12 1 1 A 54 54 GLY CA C 54 45.390 45.553 -0.163 1
1 596 . 12 1 1 A 54 54 GLY N N 54 117.440 115.186 2.254 1
1 597 . 12 1 1 A 55 55 SER H H 55 7.996 7.705 0.291 1
1 598 . 12 1 1 A 55 55 SER HA H 55 4.623 4.951 -0.328 1
1 601 . 12 1 1 A 55 55 SER CA C 55 58.553 56.936 1.617 1
1 602 . 12 1 1 A 55 55 SER CB C 55 66.037 65.132 0.905 1
1 603 . 12 1 1 A 55 55 SER N N 55 115.895 114.158 1.737 1
1 604 . 12 1 1 A 56 56 LYS H H 56 9.018 8.829 0.189 1
1 605 . 12 1 1 A 56 56 LYS HA H 56 4.115 4.038 0.077 1
1 614 . 12 1 1 A 56 56 LYS CA C 56 58.716 58.645 0.071 1
1 615 . 12 1 1 A 56 56 LYS CB C 56 32.311 32.423 -0.112 1
1 619 . 12 1 1 A 56 56 LYS N N 56 120.334 120.947 -0.613 1
1 620 . 12 1 1 A 57 57 ALA H H 57 7.590 7.631 -0.041 1
1 621 . 12 1 1 A 57 57 ALA HA H 57 4.318 4.607 -0.289 1
1 625 . 12 1 1 A 57 57 ALA CA C 57 53.124 52.180 0.944 1
1 626 . 12 1 1 A 57 57 ALA CB C 57 20.015 19.952 0.063 1
1 627 . 12 1 1 A 57 57 ALA N N 57 119.501 119.677 -0.176 1
1 628 . 12 1 1 A 58 58 ASP H H 58 7.588 7.919 -0.331 1
1 629 . 12 1 1 A 58 58 ASP HA H 58 4.441 5.022 -0.581 1
1 632 . 12 1 1 A 58 58 ASP CA C 58 54.193 52.961 1.232 1
1 633 . 12 1 1 A 58 58 ASP CB C 58 41.066 44.242 -3.176 1
1 634 . 12 1 1 A 58 58 ASP N N 58 120.195 118.398 1.797 1
1 635 . 12 1 1 A 59 59 ALA H H 59 7.840 8.658 -0.818 1
1 636 . 12 1 1 A 59 59 ALA HA H 59 4.188 4.059 0.129 1
1 640 . 12 1 1 A 59 59 ALA CA C 59 53.326 52.931 0.395 1
1 641 . 12 1 1 A 59 59 ALA CB C 59 19.094 17.444 1.650 1
1 642 . 12 1 1 A 59 59 ALA N N 59 124.358 123.619 0.739 1
1 643 . 12 1 1 A 60 60 LEU H H 60 8.078 7.902 0.176 1
1 644 . 12 1 1 A 60 60 LEU HA H 60 4.100 3.961 0.139 1
1 654 . 12 1 1 A 60 60 LEU CA C 60 56.210 58.417 -2.207 1
1 655 . 12 1 1 A 60 60 LEU CB C 60 41.973 41.754 0.219 1
1 659 . 12 1 1 A 60 60 LEU N N 60 119.688 119.518 0.170 1
1 660 . 12 1 1 A 61 61 GLU H H 61 8.042 8.133 -0.091 1
1 661 . 12 1 1 A 61 61 GLU HA H 61 4.072 4.308 -0.236 1
1 666 . 12 1 1 A 61 61 GLU CA C 61 56.896 58.351 -1.455 1
1 667 . 12 1 1 A 61 61 GLU CB C 61 29.776 30.108 -0.332 1
1 669 . 12 1 1 A 61 61 GLU N N 61 119.804 116.981 2.823 1
1 670 . 12 1 1 A 62 62 HIS H H 62 8.153 8.188 -0.035 1
1 671 . 12 1 1 A 62 62 HIS HA H 62 4.610 4.305 0.305 1
1 674 . 12 1 1 A 62 62 HIS CA C 62 56.131 56.975 -0.844 1
1 675 . 12 1 1 A 62 62 HIS CB C 62 29.250 29.390 -0.140 1
1 676 . 12 1 1 A 62 62 HIS N N 62 117.955 119.072 -1.117 1
1 677 . 12 1 1 A 63 63 HIS H H 63 8.324 8.029 0.295 1
1 678 . 12 1 1 A 63 63 HIS HA H 63 4.520 4.313 0.207 1
1 681 . 12 1 1 A 63 63 HIS CA C 63 57.194 57.560 -0.366 1
1 682 . 12 1 1 A 63 63 HIS CB C 63 29.761 30.472 -0.711 1
1 1 . 13 1 1 A 2 2 THR HA H 2 3.902 4.388 -0.486 1
1 6 . 13 1 1 A 2 2 THR CA C 2 61.460 62.300 -0.840 1
1 7 . 13 1 1 A 2 2 THR CB C 2 69.379 68.686 0.693 1
1 9 . 13 1 1 A 3 3 ILE H H 3 8.671 8.098 0.573 1
1 10 . 13 1 1 A 3 3 ILE HA H 3 4.166 3.850 0.316 1
1 20 . 13 1 1 A 3 3 ILE CA C 3 61.569 63.093 -1.524 1
1 21 . 13 1 1 A 3 3 ILE CB C 3 38.770 36.119 2.651 1
1 25 . 13 1 1 A 3 3 ILE N N 3 124.520 118.078 6.442 1
1 26 . 13 1 1 A 4 4 GLN H H 4 8.477 8.389 0.088 1
1 27 . 13 1 1 A 4 4 GLN HA H 4 4.291 3.891 0.400 1
1 34 . 13 1 1 A 4 4 GLN CA C 4 55.615 57.405 -1.790 1
1 35 . 13 1 1 A 4 4 GLN CB C 4 29.590 26.861 2.729 1
1 37 . 13 1 1 A 4 4 GLN N N 4 124.855 114.898 9.957 1
1 39 . 13 1 1 A 5 5 ALA H H 5 8.334 7.148 1.186 1
1 40 . 13 1 1 A 5 5 ALA HA H 5 4.568 4.721 -0.153 1
1 44 . 13 1 1 A 5 5 ALA CA C 5 50.464 49.449 1.015 1
1 45 . 13 1 1 A 5 5 ALA CB C 5 18.235 19.164 -0.929 1
1 46 . 13 1 1 A 5 5 ALA N N 5 127.159 120.619 6.540 1
1 47 . 13 1 1 A 6 6 PRO HA H 6 4.429 4.537 -0.108 1
1 53 . 13 1 1 A 6 6 PRO CA C 6 63.072 62.365 0.707 1
1 54 . 13 1 1 A 6 6 PRO CB C 6 32.220 30.738 1.482 1
1 57 . 13 1 1 A 7 7 GLU H H 7 8.363 7.924 0.439 1
1 58 . 13 1 1 A 7 7 GLU HA H 7 4.280 4.143 0.137 1
1 62 . 13 1 1 A 7 7 GLU CA C 7 56.298 57.440 -1.142 1
1 63 . 13 1 1 A 7 7 GLU CB C 7 31.415 29.821 1.594 1
1 65 . 13 1 1 A 7 7 GLU N N 7 122.629 123.374 -0.745 1
1 66 . 13 1 1 A 8 8 THR H H 8 8.219 8.849 -0.630 1
1 67 . 13 1 1 A 8 8 THR HA H 8 4.948 5.334 -0.386 1
1 72 . 13 1 1 A 8 8 THR CA C 8 62.157 61.357 0.800 1
1 73 . 13 1 1 A 8 8 THR CB C 8 70.658 70.602 0.056 1
1 75 . 13 1 1 A 8 8 THR N N 8 119.082 122.328 -3.246 1
1 76 . 13 1 1 A 9 9 LYS H H 9 8.885 8.937 -0.052 1
1 77 . 13 1 1 A 9 9 LYS HA H 9 4.513 4.944 -0.431 1
1 86 . 13 1 1 A 9 9 LYS CA C 9 55.062 54.969 0.093 1
1 87 . 13 1 1 A 9 9 LYS CB C 9 35.316 34.615 0.701 1
1 91 . 13 1 1 A 9 9 LYS N N 9 128.038 123.830 4.208 1
1 92 . 13 1 1 A 10 10 ILE H H 10 8.550 8.908 -0.358 1
1 93 . 13 1 1 A 10 10 ILE HA H 10 5.029 4.977 0.052 1
1 103 . 13 1 1 A 10 10 ILE CA C 10 59.908 60.945 -1.037 1
1 104 . 13 1 1 A 10 10 ILE CB C 10 37.184 36.764 0.420 1
1 108 . 13 1 1 A 10 10 ILE N N 10 124.813 126.308 -1.495 1
1 109 . 13 1 1 A 11 11 VAL H H 11 9.253 8.477 0.776 1
1 110 . 13 1 1 A 11 11 VAL HA H 11 4.970 4.880 0.090 1
1 118 . 13 1 1 A 11 11 VAL CA C 11 59.300 59.368 -0.068 1
1 119 . 13 1 1 A 11 11 VAL CB C 11 35.700 33.991 1.709 1
1 122 . 13 1 1 A 11 11 VAL N N 11 121.581 125.486 -3.905 1
1 123 . 13 1 1 A 12 12 ASP H H 12 8.471 8.416 0.055 1
1 124 . 13 1 1 A 12 12 ASP HA H 12 4.825 4.594 0.231 1
1 127 . 13 1 1 A 12 12 ASP CA C 12 53.836 56.086 -2.250 1
1 128 . 13 1 1 A 12 12 ASP CB C 12 41.671 41.868 -0.197 1
1 129 . 13 1 1 A 12 12 ASP N N 12 118.084 122.257 -4.173 1
1 130 . 13 1 1 A 13 13 LYS H H 13 7.170 7.500 -0.330 1
1 131 . 13 1 1 A 13 13 LYS HA H 13 4.679 4.808 -0.129 1
1 140 . 13 1 1 A 13 13 LYS CA C 13 54.180 55.071 -0.891 1
1 141 . 13 1 1 A 13 13 LYS CB C 13 35.890 34.710 1.180 1
1 145 . 13 1 1 A 13 13 LYS N N 13 117.300 117.103 0.197 1
1 146 . 13 1 1 A 14 14 SER H H 14 8.254 8.685 -0.431 1
1 147 . 13 1 1 A 14 14 SER HA H 14 4.170 4.400 -0.230 1
1 150 . 13 1 1 A 14 14 SER CA C 14 60.024 60.524 -0.500 1
1 151 . 13 1 1 A 14 14 SER CB C 14 63.593 63.442 0.151 1
1 152 . 13 1 1 A 14 14 SER N N 14 111.308 114.196 -2.888 1
1 153 . 13 1 1 A 15 15 ARG H H 15 7.110 7.965 -0.855 1
1 154 . 13 1 1 A 15 15 ARG HA H 15 5.297 4.898 0.399 1
1 161 . 13 1 1 A 15 15 ARG CA C 15 55.163 56.169 -1.006 1
1 162 . 13 1 1 A 15 15 ARG CB C 15 31.260 31.364 -0.104 1
1 165 . 13 1 1 A 15 15 ARG N N 15 121.362 122.325 -0.963 1
1 166 . 13 1 1 A 16 16 VAL H H 16 8.809 8.590 0.219 1
1 167 . 13 1 1 A 16 16 VAL HA H 16 4.450 4.592 -0.142 1
1 175 . 13 1 1 A 16 16 VAL CA C 16 59.600 60.595 -0.995 1
1 176 . 13 1 1 A 16 16 VAL CB C 16 35.800 35.180 0.620 1
1 179 . 13 1 1 A 16 16 VAL N N 16 124.300 123.742 0.558 1
1 180 . 13 1 1 A 17 17 ALA H H 17 8.009 8.746 -0.737 1
1 181 . 13 1 1 A 17 17 ALA HA H 17 4.322 4.521 -0.199 1
1 185 . 13 1 1 A 17 17 ALA CA C 17 49.691 51.316 -1.625 1
1 186 . 13 1 1 A 17 17 ALA CB C 17 17.652 18.853 -1.201 1
1 187 . 13 1 1 A 17 17 ALA N N 17 127.911 129.851 -1.940 1
1 188 . 13 1 1 A 18 18 CYS H H 18 8.814 8.503 0.311 1
1 189 . 13 1 1 A 18 18 CYS HA H 18 4.492 4.350 0.142 1
1 192 . 13 1 1 A 18 18 CYS CA C 18 59.650 57.917 1.733 1
1 193 . 13 1 1 A 18 18 CYS CB C 18 31.882 29.049 2.833 1
1 194 . 13 1 1 A 18 18 CYS N N 18 123.363 121.750 1.613 1
1 195 . 13 1 1 A 19 19 ASP H H 19 8.528 7.646 0.882 1
1 196 . 13 1 1 A 19 19 ASP HA H 19 4.489 4.479 0.010 1
1 199 . 13 1 1 A 19 19 ASP CA C 19 53.107 52.523 0.584 1
1 200 . 13 1 1 A 19 19 ASP CB C 19 42.346 40.726 1.620 1
1 201 . 13 1 1 A 19 19 ASP N N 19 128.758 127.846 0.912 1
1 202 . 13 1 1 A 20 20 GLY H H 20 9.037 7.774 1.263 1
1 203 . 13 1 1 A 20 20 GLY HA2 H 20 4.079 4.158 -0.079 1
1 204 . 13 1 1 A 20 20 GLY HA3 H 20 3.906 4.317 -0.411 1
1 205 . 13 1 1 A 20 20 GLY CA C 20 45.894 45.213 0.681 1
1 206 . 13 1 1 A 20 20 GLY N N 20 115.047 111.556 3.491 1
1 207 . 13 1 1 A 21 21 GLY H H 21 7.336 8.658 -1.322 1
1 208 . 13 1 1 A 21 21 GLY HA2 H 21 4.246 3.880 0.366 1
1 209 . 13 1 1 A 21 21 GLY HA3 H 21 3.612 3.928 -0.316 1
1 210 . 13 1 1 A 21 21 GLY CA C 21 44.222 47.216 -2.994 1
1 211 . 13 1 1 A 21 21 GLY N N 21 109.000 108.419 0.581 1
1 212 . 13 1 1 A 22 22 GLU H H 22 8.359 7.383 0.976 1
1 213 . 13 1 1 A 22 22 GLU HA H 22 4.192 4.472 -0.280 1
1 218 . 13 1 1 A 22 22 GLU CA C 22 56.200 55.252 0.948 1
1 219 . 13 1 1 A 22 22 GLU CB C 22 30.746 33.007 -2.261 1
1 221 . 13 1 1 A 22 22 GLU N N 22 118.322 115.949 2.373 1
1 222 . 13 1 1 A 23 23 GLY H H 23 8.809 8.767 0.042 1
1 223 . 13 1 1 A 23 23 GLY HA2 H 23 3.780 3.223 0.557 1
1 224 . 13 1 1 A 23 23 GLY HA3 H 23 3.835 3.558 0.277 1
1 225 . 13 1 1 A 23 23 GLY CA C 23 46.688 47.165 -0.477 1
1 226 . 13 1 1 A 23 23 GLY N N 23 111.934 110.145 1.789 1
1 227 . 13 1 1 A 24 24 ALA H H 24 8.995 7.779 1.216 1
1 228 . 13 1 1 A 24 24 ALA HA H 24 4.246 4.274 -0.028 1
1 232 . 13 1 1 A 24 24 ALA CA C 24 53.645 52.603 1.042 1
1 233 . 13 1 1 A 24 24 ALA CB C 24 18.641 19.398 -0.757 1
1 234 . 13 1 1 A 24 24 ALA N N 24 129.183 124.025 5.158 1
1 235 . 13 1 1 A 25 25 LEU H H 25 7.780 7.890 -0.110 1
1 236 . 13 1 1 A 25 25 LEU HA H 25 4.407 4.478 -0.071 1
1 246 . 13 1 1 A 25 25 LEU CA C 25 54.551 53.459 1.092 1
1 247 . 13 1 1 A 25 25 LEU CB C 25 41.305 42.843 -1.538 1
1 251 . 13 1 1 A 25 25 LEU N N 25 116.850 120.073 -3.223 1
1 252 . 13 1 1 A 26 26 GLY H H 26 7.808 7.869 -0.061 1
1 253 . 13 1 1 A 26 26 GLY HA2 H 26 4.313 4.039 0.274 1
1 254 . 13 1 1 A 26 26 GLY HA3 H 26 3.685 4.088 -0.403 1
1 255 . 13 1 1 A 26 26 GLY CA C 26 45.895 44.211 1.684 1
1 256 . 13 1 1 A 26 26 GLY N N 26 110.392 111.581 -1.189 1
1 257 . 13 1 1 A 27 27 HIS H H 27 7.626 9.108 -1.482 1
1 258 . 13 1 1 A 27 27 HIS HA H 27 4.999 4.023 0.976 1
1 263 . 13 1 1 A 27 27 HIS CA C 27 53.604 56.394 -2.790 1
1 264 . 13 1 1 A 27 27 HIS CB C 27 28.333 27.154 1.179 1
1 267 . 13 1 1 A 27 27 HIS N N 27 118.046 117.324 0.722 1
1 268 . 13 1 1 A 28 28 PRO HA H 28 4.270 4.322 -0.052 1
1 275 . 13 1 1 A 28 28 PRO CA C 28 63.293 65.178 -1.885 1
1 276 . 13 1 1 A 28 28 PRO CB C 28 31.916 31.687 0.229 1
1 279 . 13 1 1 A 29 29 ARG H H 29 8.464 7.514 0.950 1
1 280 . 13 1 1 A 29 29 ARG HA H 29 4.350 4.418 -0.068 1
1 288 . 13 1 1 A 29 29 ARG CA C 29 58.043 55.884 2.159 1
1 289 . 13 1 1 A 29 29 ARG CB C 29 30.269 31.095 -0.826 1
1 292 . 13 1 1 A 29 29 ARG N N 29 125.844 116.952 8.892 1
1 294 . 13 1 1 A 30 30 VAL H H 30 8.472 8.418 0.054 1
1 295 . 13 1 1 A 30 30 VAL HA H 30 4.540 4.671 -0.131 1
1 303 . 13 1 1 A 30 30 VAL CA C 30 59.500 61.330 -1.830 1
1 304 . 13 1 1 A 30 30 VAL CB C 30 35.700 34.557 1.143 1
1 307 . 13 1 1 A 30 30 VAL N N 30 125.322 124.766 0.556 1
1 308 . 13 1 1 A 31 31 TRP H H 31 8.648 9.025 -0.377 1
1 309 . 13 1 1 A 31 31 TRP HA H 31 4.864 5.264 -0.400 1
1 318 . 13 1 1 A 31 31 TRP CA C 31 56.885 55.208 1.677 1
1 319 . 13 1 1 A 31 31 TRP CB C 31 29.922 31.269 -1.347 1
1 325 . 13 1 1 A 31 31 TRP N N 31 125.162 127.435 -2.273 1
1 327 . 13 1 1 A 32 32 LEU H H 32 9.634 9.232 0.402 1
1 328 . 13 1 1 A 32 32 LEU HA H 32 4.701 4.462 0.239 1
1 338 . 13 1 1 A 32 32 LEU CA C 32 53.078 54.921 -1.843 1
1 339 . 13 1 1 A 32 32 LEU CB C 32 44.467 42.459 2.008 1
1 343 . 13 1 1 A 32 32 LEU N N 32 125.975 125.202 0.773 1
1 344 . 13 1 1 A 33 33 GLN H H 33 8.446 8.855 -0.409 1
1 345 . 13 1 1 A 33 33 GLN HA H 33 5.027 4.919 0.108 1
1 352 . 13 1 1 A 33 33 GLN CA C 33 53.279 54.322 -1.043 1
1 353 . 13 1 1 A 33 33 GLN CB C 33 30.512 31.407 -0.895 1
1 355 . 13 1 1 A 33 33 GLN N N 33 121.000 122.014 -1.014 1
1 357 . 13 1 1 A 34 34 ILE H H 34 9.377 8.482 0.895 1
1 358 . 13 1 1 A 34 34 ILE HA H 34 3.900 4.467 -0.567 1
1 368 . 13 1 1 A 34 34 ILE CA C 34 60.335 58.887 1.448 1
1 369 . 13 1 1 A 34 34 ILE CB C 34 38.613 38.359 0.254 1
1 373 . 13 1 1 A 34 34 ILE N N 34 128.325 126.820 1.505 1
1 374 . 13 1 1 A 35 35 PRO HA H 35 4.471 4.773 -0.302 1
1 381 . 13 1 1 A 35 35 PRO CA C 35 62.744 61.764 0.980 1
1 382 . 13 1 1 A 35 35 PRO CB C 35 32.282 32.632 -0.350 1
1 385 . 13 1 1 A 36 36 GLU H H 36 8.971 8.656 0.315 1
1 386 . 13 1 1 A 36 36 GLU HA H 36 3.918 4.008 -0.090 1
1 391 . 13 1 1 A 36 36 GLU CA C 36 59.030 58.893 0.137 1
1 392 . 13 1 1 A 36 36 GLU CB C 36 29.791 29.121 0.670 1
1 394 . 13 1 1 A 36 36 GLU N N 36 124.755 121.904 2.851 1
1 395 . 13 1 1 A 37 37 ASP H H 37 8.657 8.099 0.558 1
1 396 . 13 1 1 A 37 37 ASP HA H 37 4.421 4.304 0.117 1
1 399 . 13 1 1 A 37 37 ASP CA C 37 55.552 57.724 -2.172 1
1 400 . 13 1 1 A 37 37 ASP CB C 37 39.824 41.661 -1.837 1
1 401 . 13 1 1 A 37 37 ASP N N 37 114.541 120.201 -5.660 1
1 402 . 13 1 1 A 38 38 THR H H 38 7.498 7.679 -0.181 1
1 403 . 13 1 1 A 38 38 THR HA H 38 4.415 4.077 0.338 1
1 408 . 13 1 1 A 38 38 THR CA C 38 62.748 62.319 0.429 1
1 409 . 13 1 1 A 38 38 THR CB C 38 69.280 69.598 -0.318 1
1 411 . 13 1 1 A 38 38 THR N N 38 109.405 108.496 0.909 1
1 412 . 13 1 1 A 39 39 GLY H H 39 7.967 8.596 -0.629 1
1 413 . 13 1 1 A 39 39 GLY HA2 H 39 4.446 3.843 0.603 1
1 414 . 13 1 1 A 39 39 GLY HA3 H 39 3.619 3.870 -0.251 1
1 415 . 13 1 1 A 39 39 GLY CA C 39 46.428 45.236 1.192 1
1 416 . 13 1 1 A 39 39 GLY N N 39 108.005 110.601 -2.596 1
1 417 . 13 1 1 A 40 40 TRP H H 40 7.442 6.895 0.547 1
1 418 . 13 1 1 A 40 40 TRP HA H 40 5.960 5.575 0.385 1
1 427 . 13 1 1 A 40 40 TRP CA C 40 54.581 55.500 -0.919 1
1 428 . 13 1 1 A 40 40 TRP CB C 40 33.231 31.587 1.644 1
1 434 . 13 1 1 A 40 40 TRP N N 40 114.404 116.780 -2.376 1
1 436 . 13 1 1 A 41 41 VAL H H 41 9.317 9.201 0.116 1
1 437 . 13 1 1 A 41 41 VAL HA H 41 4.260 5.088 -0.828 1
1 445 . 13 1 1 A 41 41 VAL CA C 41 60.900 60.463 0.437 1
1 446 . 13 1 1 A 41 41 VAL CB C 41 36.400 36.112 0.288 1
1 449 . 13 1 1 A 41 41 VAL N N 41 119.203 120.971 -1.768 1
1 450 . 13 1 1 A 42 42 GLU H H 42 8.635 9.108 -0.473 1
1 451 . 13 1 1 A 42 42 GLU HA H 42 5.559 5.095 0.464 1
1 456 . 13 1 1 A 42 42 GLU CA C 42 53.676 55.159 -1.483 1
1 457 . 13 1 1 A 42 42 GLU CB C 42 32.534 32.165 0.369 1
1 459 . 13 1 1 A 42 42 GLU N N 42 125.457 127.014 -1.557 1
1 460 . 13 1 1 A 43 43 CYS H H 43 9.018 9.059 -0.041 1
1 461 . 13 1 1 A 43 43 CYS HA H 43 4.710 4.945 -0.235 1
1 464 . 13 1 1 A 43 43 CYS CA C 43 56.955 56.868 0.087 1
1 465 . 13 1 1 A 43 43 CYS CB C 43 31.650 28.254 3.396 1
1 466 . 13 1 1 A 43 43 CYS N N 43 127.165 123.185 3.980 1
1 467 . 13 1 1 A 44 44 PRO HA H 44 4.455 4.322 0.133 1
1 474 . 13 1 1 A 44 44 PRO CA C 44 64.002 64.270 -0.268 1
1 475 . 13 1 1 A 44 44 PRO CB C 44 31.979 31.593 0.386 1
1 478 . 13 1 1 A 45 45 TYR H H 45 9.205 7.950 1.255 1
1 479 . 13 1 1 A 45 45 TYR HA H 45 4.477 4.587 -0.110 1
1 486 . 13 1 1 A 45 45 TYR CA C 45 59.357 59.620 -0.263 1
1 487 . 13 1 1 A 45 45 TYR CB C 45 38.009 39.638 -1.629 1
1 492 . 13 1 1 A 45 45 TYR N N 45 120.751 115.076 5.675 1
1 493 . 13 1 1 A 46 46 CYS H H 46 8.097 7.912 0.185 1
1 494 . 13 1 1 A 46 46 CYS HA H 46 5.092 4.554 0.538 1
1 497 . 13 1 1 A 46 46 CYS CA C 46 58.497 60.204 -1.707 1
1 498 . 13 1 1 A 46 46 CYS CB C 46 32.055 28.303 3.752 1
1 499 . 13 1 1 A 46 46 CYS N N 46 117.233 118.802 -1.569 1
1 500 . 13 1 1 A 47 47 ASP H H 47 7.967 8.116 -0.149 1
1 501 . 13 1 1 A 47 47 ASP HA H 47 4.629 4.500 0.129 1
1 504 . 13 1 1 A 47 47 ASP CA C 47 56.076 55.644 0.432 1
1 505 . 13 1 1 A 47 47 ASP CB C 47 39.369 40.530 -1.161 1
1 506 . 13 1 1 A 47 47 ASP N N 47 118.439 120.369 -1.930 1
1 507 . 13 1 1 A 48 48 CYS H H 48 8.364 7.913 0.451 1
1 508 . 13 1 1 A 48 48 CYS HA H 48 4.175 4.481 -0.306 1
1 511 . 13 1 1 A 48 48 CYS CA C 48 61.629 59.244 2.385 1
1 512 . 13 1 1 A 48 48 CYS CB C 48 28.528 28.199 0.329 1
1 513 . 13 1 1 A 48 48 CYS N N 48 121.540 120.276 1.264 1
1 514 . 13 1 1 A 49 49 LYS H H 49 8.542 8.685 -0.143 1
1 515 . 13 1 1 A 49 49 LYS HA H 49 4.956 5.044 -0.088 1
1 524 . 13 1 1 A 49 49 LYS CA C 49 55.388 54.669 0.719 1
1 525 . 13 1 1 A 49 49 LYS CB C 49 34.179 34.349 -0.170 1
1 529 . 13 1 1 A 49 49 LYS N N 49 129.258 124.317 4.941 1
1 530 . 13 1 1 A 50 50 TYR H H 50 9.320 9.324 -0.004 1
1 531 . 13 1 1 A 50 50 TYR HA H 50 5.264 5.366 -0.102 1
1 538 . 13 1 1 A 50 50 TYR CA C 50 57.636 57.399 0.237 1
1 539 . 13 1 1 A 50 50 TYR CB C 50 40.412 39.469 0.943 1
1 544 . 13 1 1 A 50 50 TYR N N 50 125.926 127.477 -1.551 1
1 545 . 13 1 1 A 51 51 VAL H H 51 8.925 9.142 -0.217 1
1 546 . 13 1 1 A 51 51 VAL HA H 51 4.824 4.611 0.213 1
1 554 . 13 1 1 A 51 51 VAL CA C 51 59.968 61.664 -1.696 1
1 555 . 13 1 1 A 51 51 VAL CB C 51 35.624 33.603 2.021 1
1 558 . 13 1 1 A 51 51 VAL N N 51 122.631 124.624 -1.993 1
1 559 . 13 1 1 A 52 52 LEU H H 52 8.771 8.805 -0.034 1
1 560 . 13 1 1 A 52 52 LEU HA H 52 4.496 4.704 -0.208 1
1 570 . 13 1 1 A 52 52 LEU CA C 52 54.163 55.500 -1.337 1
1 571 . 13 1 1 A 52 52 LEU CB C 52 43.220 42.510 0.710 1
1 575 . 13 1 1 A 52 52 LEU N N 52 127.249 130.098 -2.849 1
1 576 . 13 1 1 A 53 53 LYS H H 53 9.317 9.074 0.243 1
1 577 . 13 1 1 A 53 53 LYS HA H 53 4.028 3.993 0.035 1
1 586 . 13 1 1 A 53 53 LYS CA C 53 57.885 58.268 -0.383 1
1 587 . 13 1 1 A 53 53 LYS CB C 53 32.819 31.994 0.825 1
1 591 . 13 1 1 A 53 53 LYS N N 53 132.446 127.176 5.270 1
1 592 . 13 1 1 A 54 54 GLY H H 54 10.642 9.024 1.618 1
1 593 . 13 1 1 A 54 54 GLY HA2 H 54 4.195 3.950 0.245 1
1 594 . 13 1 1 A 54 54 GLY HA3 H 54 3.817 3.955 -0.138 1
1 595 . 13 1 1 A 54 54 GLY CA C 54 45.390 45.525 -0.135 1
1 596 . 13 1 1 A 54 54 GLY N N 54 117.440 115.404 2.036 1
1 597 . 13 1 1 A 55 55 SER H H 55 7.996 7.742 0.254 1
1 598 . 13 1 1 A 55 55 SER HA H 55 4.623 4.639 -0.016 1
1 601 . 13 1 1 A 55 55 SER CA C 55 58.553 57.753 0.800 1
1 602 . 13 1 1 A 55 55 SER CB C 55 66.037 66.035 0.002 1
1 603 . 13 1 1 A 55 55 SER N N 55 115.895 115.530 0.365 1
1 604 . 13 1 1 A 56 56 LYS H H 56 9.018 8.967 0.051 1
1 605 . 13 1 1 A 56 56 LYS HA H 56 4.115 4.069 0.046 1
1 614 . 13 1 1 A 56 56 LYS CA C 56 58.716 58.961 -0.245 1
1 615 . 13 1 1 A 56 56 LYS CB C 56 32.311 32.143 0.168 1
1 619 . 13 1 1 A 56 56 LYS N N 56 120.334 119.103 1.231 1
1 620 . 13 1 1 A 57 57 ALA H H 57 7.590 7.694 -0.104 1
1 621 . 13 1 1 A 57 57 ALA HA H 57 4.318 4.267 0.051 1
1 625 . 13 1 1 A 57 57 ALA CA C 57 53.124 54.886 -1.762 1
1 626 . 13 1 1 A 57 57 ALA CB C 57 20.015 18.476 1.539 1
1 627 . 13 1 1 A 57 57 ALA N N 57 119.501 121.696 -2.195 1
1 628 . 13 1 1 A 58 58 ASP H H 58 7.588 7.727 -0.139 1
1 629 . 13 1 1 A 58 58 ASP HA H 58 4.441 4.420 0.021 1
1 632 . 13 1 1 A 58 58 ASP CA C 58 54.193 56.739 -2.546 1
1 633 . 13 1 1 A 58 58 ASP CB C 58 41.066 41.063 0.003 1
1 634 . 13 1 1 A 58 58 ASP N N 58 120.195 119.083 1.112 1
1 635 . 13 1 1 A 59 59 ALA H H 59 7.840 7.928 -0.088 1
1 636 . 13 1 1 A 59 59 ALA HA H 59 4.188 4.142 0.046 1
1 640 . 13 1 1 A 59 59 ALA CA C 59 53.326 55.012 -1.686 1
1 641 . 13 1 1 A 59 59 ALA CB C 59 19.094 19.532 -0.438 1
1 642 . 13 1 1 A 59 59 ALA N N 59 124.358 119.590 4.768 1
1 643 . 13 1 1 A 60 60 LEU H H 60 8.078 7.900 0.178 1
1 644 . 13 1 1 A 60 60 LEU HA H 60 4.100 4.022 0.078 1
1 654 . 13 1 1 A 60 60 LEU CA C 60 56.210 55.766 0.444 1
1 655 . 13 1 1 A 60 60 LEU CB C 60 41.973 40.706 1.267 1
1 659 . 13 1 1 A 60 60 LEU N N 60 119.688 115.312 4.376 1
1 660 . 13 1 1 A 61 61 GLU H H 61 8.042 8.511 -0.469 1
1 661 . 13 1 1 A 61 61 GLU HA H 61 4.072 4.123 -0.051 1
1 666 . 13 1 1 A 61 61 GLU CA C 61 56.896 58.558 -1.662 1
1 667 . 13 1 1 A 61 61 GLU CB C 61 29.776 28.540 1.236 1
1 669 . 13 1 1 A 61 61 GLU N N 61 119.804 115.371 4.433 1
1 670 . 13 1 1 A 62 62 HIS H H 62 8.153 7.928 0.225 1
1 671 . 13 1 1 A 62 62 HIS HA H 62 4.610 5.380 -0.770 1
1 674 . 13 1 1 A 62 62 HIS CA C 62 56.131 53.814 2.317 1
1 675 . 13 1 1 A 62 62 HIS CB C 62 29.250 32.810 -3.560 1
1 676 . 13 1 1 A 62 62 HIS N N 62 117.955 117.118 0.837 1
1 677 . 13 1 1 A 63 63 HIS H H 63 8.324 8.872 -0.548 1
1 678 . 13 1 1 A 63 63 HIS HA H 63 4.520 5.173 -0.653 1
1 681 . 13 1 1 A 63 63 HIS CA C 63 57.194 53.613 3.581 1
1 682 . 13 1 1 A 63 63 HIS CB C 63 29.761 33.050 -3.289 1
1 1 . 14 1 1 A 2 2 THR HA H 2 3.902 4.349 -0.447 1
1 6 . 14 1 1 A 2 2 THR CA C 2 61.460 62.331 -0.871 1
1 7 . 14 1 1 A 2 2 THR CB C 2 69.379 69.094 0.285 1
1 9 . 14 1 1 A 3 3 ILE H H 3 8.671 8.172 0.499 1
1 10 . 14 1 1 A 3 3 ILE HA H 3 4.166 3.829 0.337 1
1 20 . 14 1 1 A 3 3 ILE CA C 3 61.569 63.375 -1.806 1
1 21 . 14 1 1 A 3 3 ILE CB C 3 38.770 36.335 2.435 1
1 25 . 14 1 1 A 3 3 ILE N N 3 124.520 118.253 6.267 1
1 26 . 14 1 1 A 4 4 GLN H H 4 8.477 8.286 0.191 1
1 27 . 14 1 1 A 4 4 GLN HA H 4 4.291 3.946 0.345 1
1 34 . 14 1 1 A 4 4 GLN CA C 4 55.615 58.443 -2.828 1
1 35 . 14 1 1 A 4 4 GLN CB C 4 29.590 26.579 3.011 1
1 37 . 14 1 1 A 4 4 GLN N N 4 124.855 117.765 7.090 1
1 39 . 14 1 1 A 5 5 ALA H H 5 8.334 8.437 -0.103 1
1 40 . 14 1 1 A 5 5 ALA HA H 5 4.568 3.970 0.598 1
1 44 . 14 1 1 A 5 5 ALA CA C 5 50.464 52.639 -2.175 1
1 45 . 14 1 1 A 5 5 ALA CB C 5 18.235 17.266 0.969 1
1 46 . 14 1 1 A 5 5 ALA N N 5 127.159 119.702 7.457 1
1 47 . 14 1 1 A 6 6 PRO HA H 6 4.429 4.585 -0.156 1
1 53 . 14 1 1 A 6 6 PRO CA C 6 63.072 62.301 0.771 1
1 54 . 14 1 1 A 6 6 PRO CB C 6 32.220 29.825 2.395 1
1 57 . 14 1 1 A 7 7 GLU H H 7 8.363 7.959 0.404 1
1 58 . 14 1 1 A 7 7 GLU HA H 7 4.280 4.482 -0.202 1
1 62 . 14 1 1 A 7 7 GLU CA C 7 56.298 56.808 -0.510 1
1 63 . 14 1 1 A 7 7 GLU CB C 7 31.415 30.223 1.192 1
1 65 . 14 1 1 A 7 7 GLU N N 7 122.629 123.712 -1.083 1
1 66 . 14 1 1 A 8 8 THR H H 8 8.219 8.382 -0.163 1
1 67 . 14 1 1 A 8 8 THR HA H 8 4.948 5.046 -0.098 1
1 72 . 14 1 1 A 8 8 THR CA C 8 62.157 60.406 1.751 1
1 73 . 14 1 1 A 8 8 THR CB C 8 70.658 70.260 0.398 1
1 75 . 14 1 1 A 8 8 THR N N 8 119.082 113.928 5.154 1
1 76 . 14 1 1 A 9 9 LYS H H 9 8.885 9.010 -0.125 1
1 77 . 14 1 1 A 9 9 LYS HA H 9 4.513 4.838 -0.325 1
1 86 . 14 1 1 A 9 9 LYS CA C 9 55.062 54.838 0.224 1
1 87 . 14 1 1 A 9 9 LYS CB C 9 35.316 33.874 1.442 1
1 91 . 14 1 1 A 9 9 LYS N N 9 128.038 122.984 5.054 1
1 92 . 14 1 1 A 10 10 ILE H H 10 8.550 8.696 -0.146 1
1 93 . 14 1 1 A 10 10 ILE HA H 10 5.029 4.645 0.384 1
1 103 . 14 1 1 A 10 10 ILE CA C 10 59.908 61.419 -1.511 1
1 104 . 14 1 1 A 10 10 ILE CB C 10 37.184 37.524 -0.340 1
1 108 . 14 1 1 A 10 10 ILE N N 10 124.813 127.459 -2.646 1
1 109 . 14 1 1 A 11 11 VAL H H 11 9.253 8.950 0.303 1
1 110 . 14 1 1 A 11 11 VAL HA H 11 4.970 4.821 0.149 1
1 118 . 14 1 1 A 11 11 VAL CA C 11 59.300 58.646 0.654 1
1 119 . 14 1 1 A 11 11 VAL CB C 11 35.700 35.345 0.355 1
1 122 . 14 1 1 A 11 11 VAL N N 11 121.581 121.749 -0.168 1
1 123 . 14 1 1 A 12 12 ASP H H 12 8.471 8.661 -0.190 1
1 124 . 14 1 1 A 12 12 ASP HA H 12 4.825 4.883 -0.058 1
1 127 . 14 1 1 A 12 12 ASP CA C 12 53.836 54.824 -0.988 1
1 128 . 14 1 1 A 12 12 ASP CB C 12 41.671 42.802 -1.131 1
1 129 . 14 1 1 A 12 12 ASP N N 12 118.084 120.261 -2.177 1
1 130 . 14 1 1 A 13 13 LYS H H 13 7.170 7.464 -0.294 1
1 131 . 14 1 1 A 13 13 LYS HA H 13 4.679 4.795 -0.116 1
1 140 . 14 1 1 A 13 13 LYS CA C 13 54.180 55.108 -0.928 1
1 141 . 14 1 1 A 13 13 LYS CB C 13 35.890 34.746 1.144 1
1 145 . 14 1 1 A 13 13 LYS N N 13 117.300 117.399 -0.099 1
1 146 . 14 1 1 A 14 14 SER H H 14 8.254 8.682 -0.428 1
1 147 . 14 1 1 A 14 14 SER HA H 14 4.170 4.607 -0.437 1
1 150 . 14 1 1 A 14 14 SER CA C 14 60.024 59.378 0.646 1
1 151 . 14 1 1 A 14 14 SER CB C 14 63.593 63.797 -0.204 1
1 152 . 14 1 1 A 14 14 SER N N 14 111.308 116.017 -4.709 1
1 153 . 14 1 1 A 15 15 ARG H H 15 7.110 7.865 -0.755 1
1 154 . 14 1 1 A 15 15 ARG HA H 15 5.297 5.121 0.176 1
1 161 . 14 1 1 A 15 15 ARG CA C 15 55.163 54.712 0.451 1
1 162 . 14 1 1 A 15 15 ARG CB C 15 31.260 31.959 -0.699 1
1 165 . 14 1 1 A 15 15 ARG N N 15 121.362 120.812 0.550 1
1 166 . 14 1 1 A 16 16 VAL H H 16 8.809 8.715 0.094 1
1 167 . 14 1 1 A 16 16 VAL HA H 16 4.450 4.637 -0.187 1
1 175 . 14 1 1 A 16 16 VAL CA C 16 59.600 60.136 -0.536 1
1 176 . 14 1 1 A 16 16 VAL CB C 16 35.800 35.595 0.205 1
1 179 . 14 1 1 A 16 16 VAL N N 16 124.300 123.529 0.771 1
1 180 . 14 1 1 A 17 17 ALA H H 17 8.009 8.252 -0.243 1
1 181 . 14 1 1 A 17 17 ALA HA H 17 4.322 4.648 -0.326 1
1 185 . 14 1 1 A 17 17 ALA CA C 17 49.691 50.085 -0.394 1
1 186 . 14 1 1 A 17 17 ALA CB C 17 17.652 19.190 -1.538 1
1 187 . 14 1 1 A 17 17 ALA N N 17 127.911 128.329 -0.418 1
1 188 . 14 1 1 A 18 18 CYS H H 18 8.814 8.435 0.379 1
1 189 . 14 1 1 A 18 18 CYS HA H 18 4.492 4.776 -0.284 1
1 192 . 14 1 1 A 18 18 CYS CA C 18 59.650 59.332 0.318 1
1 193 . 14 1 1 A 18 18 CYS CB C 18 31.882 28.010 3.872 1
1 194 . 14 1 1 A 18 18 CYS N N 18 123.363 121.788 1.575 1
1 195 . 14 1 1 A 19 19 ASP H H 19 8.528 9.016 -0.488 1
1 196 . 14 1 1 A 19 19 ASP HA H 19 4.489 4.497 -0.008 1
1 199 . 14 1 1 A 19 19 ASP CA C 19 53.107 56.761 -3.654 1
1 200 . 14 1 1 A 19 19 ASP CB C 19 42.346 42.247 0.099 1
1 201 . 14 1 1 A 19 19 ASP N N 19 128.758 127.840 0.918 1
1 202 . 14 1 1 A 20 20 GLY H H 20 9.037 7.636 1.401 1
1 203 . 14 1 1 A 20 20 GLY HA2 H 20 4.079 4.059 0.020 1
1 204 . 14 1 1 A 20 20 GLY HA3 H 20 3.906 4.109 -0.203 1
1 205 . 14 1 1 A 20 20 GLY CA C 20 45.894 45.739 0.155 1
1 206 . 14 1 1 A 20 20 GLY N N 20 115.047 103.641 11.406 1
1 207 . 14 1 1 A 21 21 GLY H H 21 7.336 8.508 -1.172 1
1 208 . 14 1 1 A 21 21 GLY HA2 H 21 4.246 4.048 0.198 1
1 209 . 14 1 1 A 21 21 GLY HA3 H 21 3.612 4.099 -0.487 1
1 210 . 14 1 1 A 21 21 GLY CA C 21 44.222 45.763 -1.541 1
1 211 . 14 1 1 A 21 21 GLY N N 21 109.000 107.240 1.760 1
1 212 . 14 1 1 A 22 22 GLU H H 22 8.359 7.744 0.615 1
1 213 . 14 1 1 A 22 22 GLU HA H 22 4.192 4.464 -0.272 1
1 218 . 14 1 1 A 22 22 GLU CA C 22 56.200 55.748 0.452 1
1 219 . 14 1 1 A 22 22 GLU CB C 22 30.746 30.698 0.048 1
1 221 . 14 1 1 A 22 22 GLU N N 22 118.322 121.250 -2.928 1
1 222 . 14 1 1 A 23 23 GLY H H 23 8.809 8.851 -0.042 1
1 223 . 14 1 1 A 23 23 GLY HA2 H 23 3.780 3.818 -0.038 1
1 224 . 14 1 1 A 23 23 GLY HA3 H 23 3.835 3.830 0.005 1
1 225 . 14 1 1 A 23 23 GLY CA C 23 46.688 47.206 -0.518 1
1 226 . 14 1 1 A 23 23 GLY N N 23 111.934 116.156 -4.222 1
1 227 . 14 1 1 A 24 24 ALA H H 24 8.995 8.547 0.448 1
1 228 . 14 1 1 A 24 24 ALA HA H 24 4.246 4.339 -0.093 1
1 232 . 14 1 1 A 24 24 ALA CA C 24 53.645 51.529 2.116 1
1 233 . 14 1 1 A 24 24 ALA CB C 24 18.641 18.199 0.442 1
1 234 . 14 1 1 A 24 24 ALA N N 24 129.183 128.915 0.268 1
1 235 . 14 1 1 A 25 25 LEU H H 25 7.780 7.971 -0.191 1
1 236 . 14 1 1 A 25 25 LEU HA H 25 4.407 3.936 0.471 1
1 246 . 14 1 1 A 25 25 LEU CA C 25 54.551 55.646 -1.095 1
1 247 . 14 1 1 A 25 25 LEU CB C 25 41.305 39.688 1.617 1
1 251 . 14 1 1 A 25 25 LEU N N 25 116.850 115.976 0.874 1
1 252 . 14 1 1 A 26 26 GLY H H 26 7.808 7.732 0.076 1
1 253 . 14 1 1 A 26 26 GLY HA2 H 26 4.313 4.101 0.212 1
1 254 . 14 1 1 A 26 26 GLY HA3 H 26 3.685 4.106 -0.421 1
1 255 . 14 1 1 A 26 26 GLY CA C 26 45.895 44.060 1.835 1
1 256 . 14 1 1 A 26 26 GLY N N 26 110.392 108.445 1.947 1
1 257 . 14 1 1 A 27 27 HIS H H 27 7.626 8.452 -0.826 1
1 258 . 14 1 1 A 27 27 HIS HA H 27 4.999 4.939 0.060 1
1 263 . 14 1 1 A 27 27 HIS CA C 27 53.604 53.803 -0.199 1
1 264 . 14 1 1 A 27 27 HIS CB C 27 28.333 33.049 -4.716 1
1 267 . 14 1 1 A 27 27 HIS N N 27 118.046 119.951 -1.905 1
1 268 . 14 1 1 A 28 28 PRO HA H 28 4.270 4.354 -0.084 1
1 275 . 14 1 1 A 28 28 PRO CA C 28 63.293 65.156 -1.863 1
1 276 . 14 1 1 A 28 28 PRO CB C 28 31.916 31.726 0.190 1
1 279 . 14 1 1 A 29 29 ARG H H 29 8.464 7.530 0.934 1
1 280 . 14 1 1 A 29 29 ARG HA H 29 4.350 4.595 -0.245 1
1 288 . 14 1 1 A 29 29 ARG CA C 29 58.043 55.946 2.097 1
1 289 . 14 1 1 A 29 29 ARG CB C 29 30.269 31.901 -1.632 1
1 292 . 14 1 1 A 29 29 ARG N N 29 125.844 117.156 8.688 1
1 294 . 14 1 1 A 30 30 VAL H H 30 8.472 8.729 -0.257 1
1 295 . 14 1 1 A 30 30 VAL HA H 30 4.540 5.002 -0.462 1
1 303 . 14 1 1 A 30 30 VAL CA C 30 59.500 60.175 -0.675 1
1 304 . 14 1 1 A 30 30 VAL CB C 30 35.700 35.029 0.671 1
1 307 . 14 1 1 A 30 30 VAL N N 30 125.322 121.718 3.604 1
1 308 . 14 1 1 A 31 31 TRP H H 31 8.648 9.050 -0.402 1
1 309 . 14 1 1 A 31 31 TRP HA H 31 4.864 5.276 -0.412 1
1 318 . 14 1 1 A 31 31 TRP CA C 31 56.885 56.062 0.823 1
1 319 . 14 1 1 A 31 31 TRP CB C 31 29.922 30.518 -0.596 1
1 325 . 14 1 1 A 31 31 TRP N N 31 125.162 126.908 -1.746 1
1 327 . 14 1 1 A 32 32 LEU H H 32 9.634 9.030 0.604 1
1 328 . 14 1 1 A 32 32 LEU HA H 32 4.701 4.713 -0.012 1
1 338 . 14 1 1 A 32 32 LEU CA C 32 53.078 53.965 -0.887 1
1 339 . 14 1 1 A 32 32 LEU CB C 32 44.467 43.111 1.356 1
1 343 . 14 1 1 A 32 32 LEU N N 32 125.975 125.722 0.253 1
1 344 . 14 1 1 A 33 33 GLN H H 33 8.446 8.790 -0.344 1
1 345 . 14 1 1 A 33 33 GLN HA H 33 5.027 4.657 0.370 1
1 352 . 14 1 1 A 33 33 GLN CA C 33 53.279 54.921 -1.642 1
1 353 . 14 1 1 A 33 33 GLN CB C 33 30.512 29.725 0.787 1
1 355 . 14 1 1 A 33 33 GLN N N 33 121.000 123.912 -2.912 1
1 357 . 14 1 1 A 34 34 ILE H H 34 9.377 8.922 0.455 1
1 358 . 14 1 1 A 34 34 ILE HA H 34 3.900 4.087 -0.187 1
1 368 . 14 1 1 A 34 34 ILE CA C 34 60.335 60.444 -0.109 1
1 369 . 14 1 1 A 34 34 ILE CB C 34 38.613 38.665 -0.052 1
1 373 . 14 1 1 A 34 34 ILE N N 34 128.325 127.084 1.241 1
1 374 . 14 1 1 A 35 35 PRO HA H 35 4.471 4.744 -0.273 1
1 381 . 14 1 1 A 35 35 PRO CA C 35 62.744 62.300 0.444 1
1 382 . 14 1 1 A 35 35 PRO CB C 35 32.282 31.276 1.006 1
1 385 . 14 1 1 A 36 36 GLU H H 36 8.971 8.993 -0.022 1
1 386 . 14 1 1 A 36 36 GLU HA H 36 3.918 3.941 -0.023 1
1 391 . 14 1 1 A 36 36 GLU CA C 36 59.030 59.384 -0.354 1
1 392 . 14 1 1 A 36 36 GLU CB C 36 29.791 29.430 0.361 1
1 394 . 14 1 1 A 36 36 GLU N N 36 124.755 123.354 1.401 1
1 395 . 14 1 1 A 37 37 ASP H H 37 8.657 8.195 0.462 1
1 396 . 14 1 1 A 37 37 ASP HA H 37 4.421 4.335 0.086 1
1 399 . 14 1 1 A 37 37 ASP CA C 37 55.552 57.142 -1.590 1
1 400 . 14 1 1 A 37 37 ASP CB C 37 39.824 40.686 -0.862 1
1 401 . 14 1 1 A 37 37 ASP N N 37 114.541 118.758 -4.217 1
1 402 . 14 1 1 A 38 38 THR H H 38 7.498 7.688 -0.190 1
1 403 . 14 1 1 A 38 38 THR HA H 38 4.415 4.287 0.128 1
1 408 . 14 1 1 A 38 38 THR CA C 38 62.748 62.452 0.296 1
1 409 . 14 1 1 A 38 38 THR CB C 38 69.280 69.622 -0.342 1
1 411 . 14 1 1 A 38 38 THR N N 38 109.405 107.024 2.381 1
1 412 . 14 1 1 A 39 39 GLY H H 39 7.967 8.273 -0.306 1
1 413 . 14 1 1 A 39 39 GLY HA2 H 39 4.446 4.063 0.383 1
1 414 . 14 1 1 A 39 39 GLY HA3 H 39 3.619 4.126 -0.507 1
1 415 . 14 1 1 A 39 39 GLY CA C 39 46.428 45.093 1.335 1
1 416 . 14 1 1 A 39 39 GLY N N 39 108.005 110.371 -2.366 1
1 417 . 14 1 1 A 40 40 TRP H H 40 7.442 6.913 0.529 1
1 418 . 14 1 1 A 40 40 TRP HA H 40 5.960 5.671 0.289 1
1 427 . 14 1 1 A 40 40 TRP CA C 40 54.581 55.931 -1.350 1
1 428 . 14 1 1 A 40 40 TRP CB C 40 33.231 31.514 1.717 1
1 434 . 14 1 1 A 40 40 TRP N N 40 114.404 116.768 -2.364 1
1 436 . 14 1 1 A 41 41 VAL H H 41 9.317 9.057 0.260 1
1 437 . 14 1 1 A 41 41 VAL HA H 41 4.260 4.784 -0.524 1
1 445 . 14 1 1 A 41 41 VAL CA C 41 60.900 60.527 0.373 1
1 446 . 14 1 1 A 41 41 VAL CB C 41 36.400 35.590 0.810 1
1 449 . 14 1 1 A 41 41 VAL N N 41 119.203 121.140 -1.937 1
1 450 . 14 1 1 A 42 42 GLU H H 42 8.635 8.986 -0.351 1
1 451 . 14 1 1 A 42 42 GLU HA H 42 5.559 4.689 0.870 1
1 456 . 14 1 1 A 42 42 GLU CA C 42 53.676 56.145 -2.469 1
1 457 . 14 1 1 A 42 42 GLU CB C 42 32.534 30.680 1.854 1
1 459 . 14 1 1 A 42 42 GLU N N 42 125.457 126.780 -1.323 1
1 460 . 14 1 1 A 43 43 CYS H H 43 9.018 8.474 0.544 1
1 461 . 14 1 1 A 43 43 CYS HA H 43 4.710 4.711 -0.001 1
1 464 . 14 1 1 A 43 43 CYS CA C 43 56.955 57.479 -0.524 1
1 465 . 14 1 1 A 43 43 CYS CB C 43 31.650 28.614 3.036 1
1 466 . 14 1 1 A 43 43 CYS N N 43 127.165 123.091 4.074 1
1 467 . 14 1 1 A 44 44 PRO HA H 44 4.455 4.373 0.082 1
1 474 . 14 1 1 A 44 44 PRO CA C 44 64.002 64.479 -0.477 1
1 475 . 14 1 1 A 44 44 PRO CB C 44 31.979 31.887 0.092 1
1 478 . 14 1 1 A 45 45 TYR H H 45 9.205 7.906 1.299 1
1 479 . 14 1 1 A 45 45 TYR HA H 45 4.477 4.440 0.037 1
1 486 . 14 1 1 A 45 45 TYR CA C 45 59.357 60.460 -1.103 1
1 487 . 14 1 1 A 45 45 TYR CB C 45 38.009 38.717 -0.708 1
1 492 . 14 1 1 A 45 45 TYR N N 45 120.751 116.355 4.396 1
1 493 . 14 1 1 A 46 46 CYS H H 46 8.097 7.840 0.257 1
1 494 . 14 1 1 A 46 46 CYS HA H 46 5.092 4.859 0.233 1
1 497 . 14 1 1 A 46 46 CYS CA C 46 58.497 59.043 -0.546 1
1 498 . 14 1 1 A 46 46 CYS CB C 46 32.055 28.208 3.847 1
1 499 . 14 1 1 A 46 46 CYS N N 46 117.233 113.921 3.312 1
1 500 . 14 1 1 A 47 47 ASP H H 47 7.967 9.031 -1.064 1
1 501 . 14 1 1 A 47 47 ASP HA H 47 4.629 5.027 -0.398 1
1 504 . 14 1 1 A 47 47 ASP CA C 47 56.076 55.380 0.696 1
1 505 . 14 1 1 A 47 47 ASP CB C 47 39.369 41.846 -2.477 1
1 506 . 14 1 1 A 47 47 ASP N N 47 118.439 127.529 -9.090 1
1 507 . 14 1 1 A 48 48 CYS H H 48 8.364 7.522 0.842 1
1 508 . 14 1 1 A 48 48 CYS HA H 48 4.175 4.699 -0.524 1
1 511 . 14 1 1 A 48 48 CYS CA C 48 61.629 57.895 3.734 1
1 512 . 14 1 1 A 48 48 CYS CB C 48 28.528 32.096 -3.568 1
1 513 . 14 1 1 A 48 48 CYS N N 48 121.540 115.676 5.864 1
1 514 . 14 1 1 A 49 49 LYS H H 49 8.542 8.270 0.272 1
1 515 . 14 1 1 A 49 49 LYS HA H 49 4.956 4.733 0.223 1
1 524 . 14 1 1 A 49 49 LYS CA C 49 55.388 54.486 0.902 1
1 525 . 14 1 1 A 49 49 LYS CB C 49 34.179 34.367 -0.188 1
1 529 . 14 1 1 A 49 49 LYS N N 49 129.258 122.569 6.689 1
1 530 . 14 1 1 A 50 50 TYR H H 50 9.320 9.435 -0.115 1
1 531 . 14 1 1 A 50 50 TYR HA H 50 5.264 4.975 0.289 1
1 538 . 14 1 1 A 50 50 TYR CA C 50 57.636 57.803 -0.167 1
1 539 . 14 1 1 A 50 50 TYR CB C 50 40.412 38.907 1.505 1
1 544 . 14 1 1 A 50 50 TYR N N 50 125.926 127.582 -1.656 1
1 545 . 14 1 1 A 51 51 VAL H H 51 8.925 9.213 -0.288 1
1 546 . 14 1 1 A 51 51 VAL HA H 51 4.824 4.843 -0.019 1
1 554 . 14 1 1 A 51 51 VAL CA C 51 59.968 61.206 -1.238 1
1 555 . 14 1 1 A 51 51 VAL CB C 51 35.624 33.922 1.702 1
1 558 . 14 1 1 A 51 51 VAL N N 51 122.631 124.108 -1.477 1
1 559 . 14 1 1 A 52 52 LEU H H 52 8.771 9.077 -0.306 1
1 560 . 14 1 1 A 52 52 LEU HA H 52 4.496 4.926 -0.430 1
1 570 . 14 1 1 A 52 52 LEU CA C 52 54.163 54.486 -0.323 1
1 571 . 14 1 1 A 52 52 LEU CB C 52 43.220 43.017 0.203 1
1 575 . 14 1 1 A 52 52 LEU N N 52 127.249 130.370 -3.121 1
1 576 . 14 1 1 A 53 53 LYS H H 53 9.317 8.996 0.321 1
1 577 . 14 1 1 A 53 53 LYS HA H 53 4.028 3.977 0.051 1
1 586 . 14 1 1 A 53 53 LYS CA C 53 57.885 58.116 -0.231 1
1 587 . 14 1 1 A 53 53 LYS CB C 53 32.819 32.195 0.624 1
1 591 . 14 1 1 A 53 53 LYS N N 53 132.446 127.282 5.164 1
1 592 . 14 1 1 A 54 54 GLY H H 54 10.642 8.774 1.868 1
1 593 . 14 1 1 A 54 54 GLY HA2 H 54 4.195 3.986 0.209 1
1 594 . 14 1 1 A 54 54 GLY HA3 H 54 3.817 4.027 -0.210 1
1 595 . 14 1 1 A 54 54 GLY CA C 54 45.390 45.441 -0.051 1
1 596 . 14 1 1 A 54 54 GLY N N 54 117.440 115.214 2.226 1
1 597 . 14 1 1 A 55 55 SER H H 55 7.996 7.839 0.157 1
1 598 . 14 1 1 A 55 55 SER HA H 55 4.623 4.845 -0.222 1
1 601 . 14 1 1 A 55 55 SER CA C 55 58.553 56.299 2.254 1
1 602 . 14 1 1 A 55 55 SER CB C 55 66.037 65.707 0.330 1
1 603 . 14 1 1 A 55 55 SER N N 55 115.895 115.382 0.513 1
1 604 . 14 1 1 A 56 56 LYS H H 56 9.018 9.061 -0.043 1
1 605 . 14 1 1 A 56 56 LYS HA H 56 4.115 4.092 0.023 1
1 614 . 14 1 1 A 56 56 LYS CA C 56 58.716 58.727 -0.011 1
1 615 . 14 1 1 A 56 56 LYS CB C 56 32.311 32.095 0.216 1
1 619 . 14 1 1 A 56 56 LYS N N 56 120.334 123.671 -3.337 1
1 620 . 14 1 1 A 57 57 ALA H H 57 7.590 7.667 -0.077 1
1 621 . 14 1 1 A 57 57 ALA HA H 57 4.318 4.264 0.054 1
1 625 . 14 1 1 A 57 57 ALA CA C 57 53.124 54.227 -1.103 1
1 626 . 14 1 1 A 57 57 ALA CB C 57 20.015 18.413 1.602 1
1 627 . 14 1 1 A 57 57 ALA N N 57 119.501 122.491 -2.990 1
1 628 . 14 1 1 A 58 58 ASP H H 58 7.588 8.007 -0.419 1
1 629 . 14 1 1 A 58 58 ASP HA H 58 4.441 4.805 -0.364 1
1 632 . 14 1 1 A 58 58 ASP CA C 58 54.193 54.290 -0.097 1
1 633 . 14 1 1 A 58 58 ASP CB C 58 41.066 41.643 -0.577 1
1 634 . 14 1 1 A 58 58 ASP N N 58 120.195 117.437 2.758 1
1 635 . 14 1 1 A 59 59 ALA H H 59 7.840 7.941 -0.101 1
1 636 . 14 1 1 A 59 59 ALA HA H 59 4.188 4.093 0.095 1
1 640 . 14 1 1 A 59 59 ALA CA C 59 53.326 52.922 0.404 1
1 641 . 14 1 1 A 59 59 ALA CB C 59 19.094 17.840 1.254 1
1 642 . 14 1 1 A 59 59 ALA N N 59 124.358 120.849 3.509 1
1 643 . 14 1 1 A 60 60 LEU H H 60 8.078 8.147 -0.069 1
1 644 . 14 1 1 A 60 60 LEU HA H 60 4.100 4.032 0.068 1
1 654 . 14 1 1 A 60 60 LEU CA C 60 56.210 56.019 0.191 1
1 655 . 14 1 1 A 60 60 LEU CB C 60 41.973 42.162 -0.189 1
1 659 . 14 1 1 A 60 60 LEU N N 60 119.688 122.488 -2.800 1
1 660 . 14 1 1 A 61 61 GLU H H 61 8.042 9.179 -1.137 1
1 661 . 14 1 1 A 61 61 GLU HA H 61 4.072 3.971 0.101 1
1 666 . 14 1 1 A 61 61 GLU CA C 61 56.896 58.947 -2.051 1
1 667 . 14 1 1 A 61 61 GLU CB C 61 29.776 28.170 1.606 1
1 669 . 14 1 1 A 61 61 GLU N N 61 119.804 118.834 0.970 1
1 670 . 14 1 1 A 62 62 HIS H H 62 8.153 7.943 0.210 1
1 671 . 14 1 1 A 62 62 HIS HA H 62 4.610 4.129 0.481 1
1 674 . 14 1 1 A 62 62 HIS CA C 62 56.131 56.843 -0.712 1
1 675 . 14 1 1 A 62 62 HIS CB C 62 29.250 28.174 1.076 1
1 676 . 14 1 1 A 62 62 HIS N N 62 117.955 118.524 -0.569 1
1 677 . 14 1 1 A 63 63 HIS H H 63 8.324 8.488 -0.164 1
1 678 . 14 1 1 A 63 63 HIS HA H 63 4.520 4.129 0.391 1
1 681 . 14 1 1 A 63 63 HIS CA C 63 57.194 56.696 0.498 1
1 682 . 14 1 1 A 63 63 HIS CB C 63 29.761 29.198 0.563 1
1 1 . 15 1 1 A 2 2 THR HA H 2 3.902 5.058 -1.156 1
1 6 . 15 1 1 A 2 2 THR CA C 2 61.460 59.319 2.141 1
1 7 . 15 1 1 A 2 2 THR CB C 2 69.379 71.887 -2.508 1
1 9 . 15 1 1 A 3 3 ILE H H 3 8.671 8.899 -0.228 1
1 10 . 15 1 1 A 3 3 ILE HA H 3 4.166 3.776 0.390 1
1 20 . 15 1 1 A 3 3 ILE CA C 3 61.569 63.111 -1.542 1
1 21 . 15 1 1 A 3 3 ILE CB C 3 38.770 38.544 0.226 1
1 25 . 15 1 1 A 3 3 ILE N N 3 124.520 122.504 2.016 1
1 26 . 15 1 1 A 4 4 GLN H H 4 8.477 7.994 0.483 1
1 27 . 15 1 1 A 4 4 GLN HA H 4 4.291 3.959 0.332 1
1 34 . 15 1 1 A 4 4 GLN CA C 4 55.615 58.185 -2.570 1
1 35 . 15 1 1 A 4 4 GLN CB C 4 29.590 27.215 2.375 1
1 37 . 15 1 1 A 4 4 GLN N N 4 124.855 119.354 5.501 1
1 39 . 15 1 1 A 5 5 ALA H H 5 8.334 7.890 0.444 1
1 40 . 15 1 1 A 5 5 ALA HA H 5 4.568 3.874 0.694 1
1 44 . 15 1 1 A 5 5 ALA CA C 5 50.464 52.705 -2.241 1
1 45 . 15 1 1 A 5 5 ALA CB C 5 18.235 17.329 0.906 1
1 46 . 15 1 1 A 5 5 ALA N N 5 127.159 122.203 4.956 1
1 47 . 15 1 1 A 6 6 PRO HA H 6 4.429 4.437 -0.008 1
1 53 . 15 1 1 A 6 6 PRO CA C 6 63.072 62.544 0.528 1
1 54 . 15 1 1 A 6 6 PRO CB C 6 32.220 29.583 2.637 1
1 57 . 15 1 1 A 7 7 GLU H H 7 8.363 8.420 -0.057 1
1 58 . 15 1 1 A 7 7 GLU HA H 7 4.280 3.968 0.312 1
1 62 . 15 1 1 A 7 7 GLU CA C 7 56.298 57.213 -0.915 1
1 63 . 15 1 1 A 7 7 GLU CB C 7 31.415 28.149 3.266 1
1 65 . 15 1 1 A 7 7 GLU N N 7 122.629 122.203 0.426 1
1 66 . 15 1 1 A 8 8 THR H H 8 8.219 8.700 -0.481 1
1 67 . 15 1 1 A 8 8 THR HA H 8 4.948 4.819 0.129 1
1 72 . 15 1 1 A 8 8 THR CA C 8 62.157 62.006 0.151 1
1 73 . 15 1 1 A 8 8 THR CB C 8 70.658 69.749 0.909 1
1 75 . 15 1 1 A 8 8 THR N N 8 119.082 120.334 -1.252 1
1 76 . 15 1 1 A 9 9 LYS H H 9 8.885 8.807 0.078 1
1 77 . 15 1 1 A 9 9 LYS HA H 9 4.513 4.827 -0.314 1
1 86 . 15 1 1 A 9 9 LYS CA C 9 55.062 55.089 -0.027 1
1 87 . 15 1 1 A 9 9 LYS CB C 9 35.316 34.255 1.061 1
1 91 . 15 1 1 A 9 9 LYS N N 9 128.038 125.594 2.444 1
1 92 . 15 1 1 A 10 10 ILE H H 10 8.550 8.818 -0.268 1
1 93 . 15 1 1 A 10 10 ILE HA H 10 5.029 4.707 0.322 1
1 103 . 15 1 1 A 10 10 ILE CA C 10 59.908 61.086 -1.178 1
1 104 . 15 1 1 A 10 10 ILE CB C 10 37.184 36.523 0.661 1
1 108 . 15 1 1 A 10 10 ILE N N 10 124.813 126.473 -1.660 1
1 109 . 15 1 1 A 11 11 VAL H H 11 9.253 8.301 0.952 1
1 110 . 15 1 1 A 11 11 VAL HA H 11 4.970 4.349 0.621 1
1 118 . 15 1 1 A 11 11 VAL CA C 11 59.300 62.227 -2.927 1
1 119 . 15 1 1 A 11 11 VAL CB C 11 35.700 33.044 2.656 1
1 122 . 15 1 1 A 11 11 VAL N N 11 121.581 127.241 -5.660 1
1 123 . 15 1 1 A 12 12 ASP H H 12 8.471 8.628 -0.157 1
1 124 . 15 1 1 A 12 12 ASP HA H 12 4.825 4.606 0.219 1
1 127 . 15 1 1 A 12 12 ASP CA C 12 53.836 56.075 -2.239 1
1 128 . 15 1 1 A 12 12 ASP CB C 12 41.671 41.920 -0.249 1
1 129 . 15 1 1 A 12 12 ASP N N 12 118.084 123.839 -5.755 1
1 130 . 15 1 1 A 13 13 LYS H H 13 7.170 7.530 -0.360 1
1 131 . 15 1 1 A 13 13 LYS HA H 13 4.679 4.827 -0.148 1
1 140 . 15 1 1 A 13 13 LYS CA C 13 54.180 55.051 -0.871 1
1 141 . 15 1 1 A 13 13 LYS CB C 13 35.890 34.527 1.363 1
1 145 . 15 1 1 A 13 13 LYS N N 13 117.300 117.113 0.187 1
1 146 . 15 1 1 A 14 14 SER H H 14 8.254 8.648 -0.394 1
1 147 . 15 1 1 A 14 14 SER HA H 14 4.170 4.400 -0.230 1
1 150 . 15 1 1 A 14 14 SER CA C 14 60.024 60.891 -0.867 1
1 151 . 15 1 1 A 14 14 SER CB C 14 63.593 63.505 0.088 1
1 152 . 15 1 1 A 14 14 SER N N 14 111.308 113.992 -2.684 1
1 153 . 15 1 1 A 15 15 ARG H H 15 7.110 7.808 -0.698 1
1 154 . 15 1 1 A 15 15 ARG HA H 15 5.297 4.746 0.551 1
1 161 . 15 1 1 A 15 15 ARG CA C 15 55.163 55.499 -0.336 1
1 162 . 15 1 1 A 15 15 ARG CB C 15 31.260 29.781 1.479 1
1 165 . 15 1 1 A 15 15 ARG N N 15 121.362 120.264 1.098 1
1 166 . 15 1 1 A 16 16 VAL H H 16 8.809 8.581 0.228 1
1 167 . 15 1 1 A 16 16 VAL HA H 16 4.450 4.496 -0.046 1
1 175 . 15 1 1 A 16 16 VAL CA C 16 59.600 60.968 -1.368 1
1 176 . 15 1 1 A 16 16 VAL CB C 16 35.800 33.001 2.799 1
1 179 . 15 1 1 A 16 16 VAL N N 16 124.300 125.364 -1.064 1
1 180 . 15 1 1 A 17 17 ALA H H 17 8.009 8.653 -0.644 1
1 181 . 15 1 1 A 17 17 ALA HA H 17 4.322 4.950 -0.628 1
1 185 . 15 1 1 A 17 17 ALA CA C 17 49.691 50.555 -0.864 1
1 186 . 15 1 1 A 17 17 ALA CB C 17 17.652 19.858 -2.206 1
1 187 . 15 1 1 A 17 17 ALA N N 17 127.911 130.398 -2.487 1
1 188 . 15 1 1 A 18 18 CYS H H 18 8.814 8.493 0.321 1
1 189 . 15 1 1 A 18 18 CYS HA H 18 4.492 4.863 -0.371 1
1 192 . 15 1 1 A 18 18 CYS CA C 18 59.650 57.890 1.760 1
1 193 . 15 1 1 A 18 18 CYS CB C 18 31.882 30.942 0.940 1
1 194 . 15 1 1 A 18 18 CYS N N 18 123.363 117.624 5.739 1
1 195 . 15 1 1 A 19 19 ASP H H 19 8.528 8.728 -0.200 1
1 196 . 15 1 1 A 19 19 ASP HA H 19 4.489 4.700 -0.211 1
1 199 . 15 1 1 A 19 19 ASP CA C 19 53.107 55.743 -2.636 1
1 200 . 15 1 1 A 19 19 ASP CB C 19 42.346 40.792 1.554 1
1 201 . 15 1 1 A 19 19 ASP N N 19 128.758 123.767 4.991 1
1 202 . 15 1 1 A 20 20 GLY H H 20 9.037 7.408 1.629 1
1 203 . 15 1 1 A 20 20 GLY HA2 H 20 4.079 3.905 0.174 1
1 204 . 15 1 1 A 20 20 GLY HA3 H 20 3.906 4.018 -0.112 1
1 205 . 15 1 1 A 20 20 GLY CA C 20 45.894 45.529 0.365 1
1 206 . 15 1 1 A 20 20 GLY N N 20 115.047 106.051 8.996 1
1 207 . 15 1 1 A 21 21 GLY H H 21 7.336 8.249 -0.913 1
1 208 . 15 1 1 A 21 21 GLY HA2 H 21 4.246 3.991 0.255 1
1 209 . 15 1 1 A 21 21 GLY HA3 H 21 3.612 4.000 -0.388 1
1 210 . 15 1 1 A 21 21 GLY CA C 21 44.222 45.703 -1.481 1
1 211 . 15 1 1 A 21 21 GLY N N 21 109.000 110.565 -1.565 1
1 212 . 15 1 1 A 22 22 GLU H H 22 8.359 8.094 0.265 1
1 213 . 15 1 1 A 22 22 GLU HA H 22 4.192 4.372 -0.180 1
1 218 . 15 1 1 A 22 22 GLU CA C 22 56.200 56.283 -0.083 1
1 219 . 15 1 1 A 22 22 GLU CB C 22 30.746 30.405 0.341 1
1 221 . 15 1 1 A 22 22 GLU N N 22 118.322 121.023 -2.701 1
1 222 . 15 1 1 A 23 23 GLY H H 23 8.809 8.669 0.140 1
1 223 . 15 1 1 A 23 23 GLY HA2 H 23 3.780 3.731 0.049 1
1 224 . 15 1 1 A 23 23 GLY HA3 H 23 3.835 3.739 0.096 1
1 225 . 15 1 1 A 23 23 GLY CA C 23 46.688 47.519 -0.831 1
1 226 . 15 1 1 A 23 23 GLY N N 23 111.934 110.949 0.985 1
1 227 . 15 1 1 A 24 24 ALA H H 24 8.995 7.940 1.055 1
1 228 . 15 1 1 A 24 24 ALA HA H 24 4.246 4.011 0.235 1
1 232 . 15 1 1 A 24 24 ALA CA C 24 53.645 54.263 -0.618 1
1 233 . 15 1 1 A 24 24 ALA CB C 24 18.641 18.234 0.407 1
1 234 . 15 1 1 A 24 24 ALA N N 24 129.183 124.788 4.395 1
1 235 . 15 1 1 A 25 25 LEU H H 25 7.780 7.671 0.109 1
1 236 . 15 1 1 A 25 25 LEU HA H 25 4.407 4.353 0.054 1
1 246 . 15 1 1 A 25 25 LEU CA C 25 54.551 54.034 0.517 1
1 247 . 15 1 1 A 25 25 LEU CB C 25 41.305 41.181 0.124 1
1 251 . 15 1 1 A 25 25 LEU N N 25 116.850 114.917 1.933 1
1 252 . 15 1 1 A 26 26 GLY H H 26 7.808 7.808 0.000 1
1 253 . 15 1 1 A 26 26 GLY HA2 H 26 4.313 3.764 0.549 1
1 254 . 15 1 1 A 26 26 GLY HA3 H 26 3.685 3.846 -0.161 1
1 255 . 15 1 1 A 26 26 GLY CA C 26 45.895 45.584 0.311 1
1 256 . 15 1 1 A 26 26 GLY N N 26 110.392 107.978 2.414 1
1 257 . 15 1 1 A 27 27 HIS H H 27 7.626 8.630 -1.004 1
1 258 . 15 1 1 A 27 27 HIS HA H 27 4.999 4.497 0.502 1
1 263 . 15 1 1 A 27 27 HIS CA C 27 53.604 54.792 -1.188 1
1 264 . 15 1 1 A 27 27 HIS CB C 27 28.333 29.610 -1.277 1
1 267 . 15 1 1 A 27 27 HIS N N 27 118.046 124.860 -6.814 1
1 268 . 15 1 1 A 28 28 PRO HA H 28 4.270 4.540 -0.270 1
1 275 . 15 1 1 A 28 28 PRO CA C 28 63.293 62.962 0.331 1
1 276 . 15 1 1 A 28 28 PRO CB C 28 31.916 29.982 1.934 1
1 279 . 15 1 1 A 29 29 ARG H H 29 8.464 8.329 0.135 1
1 280 . 15 1 1 A 29 29 ARG HA H 29 4.350 4.120 0.230 1
1 288 . 15 1 1 A 29 29 ARG CA C 29 58.043 57.049 0.994 1
1 289 . 15 1 1 A 29 29 ARG CB C 29 30.269 28.827 1.442 1
1 292 . 15 1 1 A 29 29 ARG N N 29 125.844 117.445 8.399 1
1 294 . 15 1 1 A 30 30 VAL H H 30 8.472 8.230 0.242 1
1 295 . 15 1 1 A 30 30 VAL HA H 30 4.540 4.932 -0.392 1
1 303 . 15 1 1 A 30 30 VAL CA C 30 59.500 61.076 -1.576 1
1 304 . 15 1 1 A 30 30 VAL CB C 30 35.700 33.346 2.354 1
1 307 . 15 1 1 A 30 30 VAL N N 30 125.322 118.005 7.317 1
1 308 . 15 1 1 A 31 31 TRP H H 31 8.648 8.933 -0.285 1
1 309 . 15 1 1 A 31 31 TRP HA H 31 4.864 5.319 -0.455 1
1 318 . 15 1 1 A 31 31 TRP CA C 31 56.885 55.667 1.218 1
1 319 . 15 1 1 A 31 31 TRP CB C 31 29.922 30.595 -0.673 1
1 325 . 15 1 1 A 31 31 TRP N N 31 125.162 126.649 -1.487 1
1 327 . 15 1 1 A 32 32 LEU H H 32 9.634 9.212 0.422 1
1 328 . 15 1 1 A 32 32 LEU HA H 32 4.701 5.065 -0.364 1
1 338 . 15 1 1 A 32 32 LEU CA C 32 53.078 53.471 -0.393 1
1 339 . 15 1 1 A 32 32 LEU CB C 32 44.467 43.157 1.310 1
1 343 . 15 1 1 A 32 32 LEU N N 32 125.975 125.497 0.478 1
1 344 . 15 1 1 A 33 33 GLN H H 33 8.446 8.960 -0.514 1
1 345 . 15 1 1 A 33 33 GLN HA H 33 5.027 4.805 0.222 1
1 352 . 15 1 1 A 33 33 GLN CA C 33 53.279 54.561 -1.282 1
1 353 . 15 1 1 A 33 33 GLN CB C 33 30.512 30.043 0.469 1
1 355 . 15 1 1 A 33 33 GLN N N 33 121.000 124.196 -3.196 1
1 357 . 15 1 1 A 34 34 ILE H H 34 9.377 8.369 1.008 1
1 358 . 15 1 1 A 34 34 ILE HA H 34 3.900 4.189 -0.289 1
1 368 . 15 1 1 A 34 34 ILE CA C 34 60.335 60.135 0.200 1
1 369 . 15 1 1 A 34 34 ILE CB C 34 38.613 38.515 0.098 1
1 373 . 15 1 1 A 34 34 ILE N N 34 128.325 127.234 1.091 1
1 374 . 15 1 1 A 35 35 PRO HA H 35 4.471 4.652 -0.181 1
1 381 . 15 1 1 A 35 35 PRO CA C 35 62.744 62.455 0.289 1
1 382 . 15 1 1 A 35 35 PRO CB C 35 32.282 31.252 1.030 1
1 385 . 15 1 1 A 36 36 GLU H H 36 8.971 8.670 0.301 1
1 386 . 15 1 1 A 36 36 GLU HA H 36 3.918 4.050 -0.132 1
1 391 . 15 1 1 A 36 36 GLU CA C 36 59.030 59.145 -0.115 1
1 392 . 15 1 1 A 36 36 GLU CB C 36 29.791 28.766 1.025 1
1 394 . 15 1 1 A 36 36 GLU N N 36 124.755 124.716 0.039 1
1 395 . 15 1 1 A 37 37 ASP H H 37 8.657 8.298 0.359 1
1 396 . 15 1 1 A 37 37 ASP HA H 37 4.421 4.377 0.044 1
1 399 . 15 1 1 A 37 37 ASP CA C 37 55.552 57.434 -1.882 1
1 400 . 15 1 1 A 37 37 ASP CB C 37 39.824 41.205 -1.381 1
1 401 . 15 1 1 A 37 37 ASP N N 37 114.541 120.487 -5.946 1
1 402 . 15 1 1 A 38 38 THR H H 38 7.498 7.900 -0.402 1
1 403 . 15 1 1 A 38 38 THR HA H 38 4.415 4.408 0.007 1
1 408 . 15 1 1 A 38 38 THR CA C 38 62.748 63.157 -0.409 1
1 409 . 15 1 1 A 38 38 THR CB C 38 69.280 70.106 -0.826 1
1 411 . 15 1 1 A 38 38 THR N N 38 109.405 111.189 -1.784 1
1 412 . 15 1 1 A 39 39 GLY H H 39 7.967 8.801 -0.834 1
1 413 . 15 1 1 A 39 39 GLY HA2 H 39 4.446 3.937 0.509 1
1 414 . 15 1 1 A 39 39 GLY HA3 H 39 3.619 4.006 -0.387 1
1 415 . 15 1 1 A 39 39 GLY CA C 39 46.428 45.388 1.040 1
1 416 . 15 1 1 A 39 39 GLY N N 39 108.005 108.656 -0.651 1
1 417 . 15 1 1 A 40 40 TRP H H 40 7.442 7.166 0.276 1
1 418 . 15 1 1 A 40 40 TRP HA H 40 5.960 5.448 0.512 1
1 427 . 15 1 1 A 40 40 TRP CA C 40 54.581 55.396 -0.815 1
1 428 . 15 1 1 A 40 40 TRP CB C 40 33.231 31.679 1.552 1
1 434 . 15 1 1 A 40 40 TRP N N 40 114.404 116.708 -2.304 1
1 436 . 15 1 1 A 41 41 VAL H H 41 9.317 9.075 0.242 1
1 437 . 15 1 1 A 41 41 VAL HA H 41 4.260 4.785 -0.525 1
1 445 . 15 1 1 A 41 41 VAL CA C 41 60.900 59.949 0.951 1
1 446 . 15 1 1 A 41 41 VAL CB C 41 36.400 35.920 0.480 1
1 449 . 15 1 1 A 41 41 VAL N N 41 119.203 120.245 -1.042 1
1 450 . 15 1 1 A 42 42 GLU H H 42 8.635 8.957 -0.322 1
1 451 . 15 1 1 A 42 42 GLU HA H 42 5.559 5.050 0.509 1
1 456 . 15 1 1 A 42 42 GLU CA C 42 53.676 54.563 -0.887 1
1 457 . 15 1 1 A 42 42 GLU CB C 42 32.534 33.720 -1.186 1
1 459 . 15 1 1 A 42 42 GLU N N 42 125.457 122.428 3.029 1
1 460 . 15 1 1 A 43 43 CYS H H 43 9.018 9.022 -0.004 1
1 461 . 15 1 1 A 43 43 CYS HA H 43 4.710 4.732 -0.022 1
1 464 . 15 1 1 A 43 43 CYS CA C 43 56.955 57.697 -0.742 1
1 465 . 15 1 1 A 43 43 CYS CB C 43 31.650 27.224 4.426 1
1 466 . 15 1 1 A 43 43 CYS N N 43 127.165 120.385 6.780 1
1 467 . 15 1 1 A 44 44 PRO HA H 44 4.455 4.348 0.107 1
1 474 . 15 1 1 A 44 44 PRO CA C 44 64.002 64.660 -0.658 1
1 475 . 15 1 1 A 44 44 PRO CB C 44 31.979 31.777 0.202 1
1 478 . 15 1 1 A 45 45 TYR H H 45 9.205 7.986 1.219 1
1 479 . 15 1 1 A 45 45 TYR HA H 45 4.477 4.374 0.103 1
1 486 . 15 1 1 A 45 45 TYR CA C 45 59.357 60.335 -0.978 1
1 487 . 15 1 1 A 45 45 TYR CB C 45 38.009 38.593 -0.584 1
1 492 . 15 1 1 A 45 45 TYR N N 45 120.751 116.071 4.680 1
1 493 . 15 1 1 A 46 46 CYS H H 46 8.097 8.004 0.093 1
1 494 . 15 1 1 A 46 46 CYS HA H 46 5.092 4.822 0.270 1
1 497 . 15 1 1 A 46 46 CYS CA C 46 58.497 58.433 0.064 1
1 498 . 15 1 1 A 46 46 CYS CB C 46 32.055 29.270 2.785 1
1 499 . 15 1 1 A 46 46 CYS N N 46 117.233 115.518 1.715 1
1 500 . 15 1 1 A 47 47 ASP H H 47 7.967 8.561 -0.594 1
1 501 . 15 1 1 A 47 47 ASP HA H 47 4.629 4.552 0.077 1
1 504 . 15 1 1 A 47 47 ASP CA C 47 56.076 56.858 -0.782 1
1 505 . 15 1 1 A 47 47 ASP CB C 47 39.369 41.072 -1.703 1
1 506 . 15 1 1 A 47 47 ASP N N 47 118.439 121.083 -2.644 1
1 507 . 15 1 1 A 48 48 CYS H H 48 8.364 7.674 0.690 1
1 508 . 15 1 1 A 48 48 CYS HA H 48 4.175 4.818 -0.643 1
1 511 . 15 1 1 A 48 48 CYS CA C 48 61.629 58.157 3.472 1
1 512 . 15 1 1 A 48 48 CYS CB C 48 28.528 31.332 -2.804 1
1 513 . 15 1 1 A 48 48 CYS N N 48 121.540 113.385 8.155 1
1 514 . 15 1 1 A 49 49 LYS H H 49 8.542 8.592 -0.050 1
1 515 . 15 1 1 A 49 49 LYS HA H 49 4.956 4.882 0.074 1
1 524 . 15 1 1 A 49 49 LYS CA C 49 55.388 54.673 0.715 1
1 525 . 15 1 1 A 49 49 LYS CB C 49 34.179 34.667 -0.488 1
1 529 . 15 1 1 A 49 49 LYS N N 49 129.258 122.843 6.415 1
1 530 . 15 1 1 A 50 50 TYR H H 50 9.320 9.364 -0.044 1
1 531 . 15 1 1 A 50 50 TYR HA H 50 5.264 5.277 -0.013 1
1 538 . 15 1 1 A 50 50 TYR CA C 50 57.636 57.059 0.577 1
1 539 . 15 1 1 A 50 50 TYR CB C 50 40.412 39.856 0.556 1
1 544 . 15 1 1 A 50 50 TYR N N 50 125.926 126.940 -1.014 1
1 545 . 15 1 1 A 51 51 VAL H H 51 8.925 9.306 -0.381 1
1 546 . 15 1 1 A 51 51 VAL HA H 51 4.824 4.632 0.192 1
1 554 . 15 1 1 A 51 51 VAL CA C 51 59.968 61.679 -1.711 1
1 555 . 15 1 1 A 51 51 VAL CB C 51 35.624 33.532 2.092 1
1 558 . 15 1 1 A 51 51 VAL N N 51 122.631 124.222 -1.591 1
1 559 . 15 1 1 A 52 52 LEU H H 52 8.771 9.042 -0.271 1
1 560 . 15 1 1 A 52 52 LEU HA H 52 4.496 4.926 -0.430 1
1 570 . 15 1 1 A 52 52 LEU CA C 52 54.163 54.413 -0.250 1
1 571 . 15 1 1 A 52 52 LEU CB C 52 43.220 43.298 -0.078 1
1 575 . 15 1 1 A 52 52 LEU N N 52 127.249 129.497 -2.248 1
1 576 . 15 1 1 A 53 53 LYS H H 53 9.317 9.131 0.186 1
1 577 . 15 1 1 A 53 53 LYS HA H 53 4.028 4.056 -0.028 1
1 586 . 15 1 1 A 53 53 LYS CA C 53 57.885 58.365 -0.480 1
1 587 . 15 1 1 A 53 53 LYS CB C 53 32.819 32.038 0.781 1
1 591 . 15 1 1 A 53 53 LYS N N 53 132.446 127.468 4.978 1
1 592 . 15 1 1 A 54 54 GLY H H 54 10.642 8.986 1.656 1
1 593 . 15 1 1 A 54 54 GLY HA2 H 54 4.195 3.984 0.211 1
1 594 . 15 1 1 A 54 54 GLY HA3 H 54 3.817 3.994 -0.177 1
1 595 . 15 1 1 A 54 54 GLY CA C 54 45.390 45.043 0.347 1
1 596 . 15 1 1 A 54 54 GLY N N 54 117.440 115.435 2.005 1
1 597 . 15 1 1 A 55 55 SER H H 55 7.996 7.739 0.257 1
1 598 . 15 1 1 A 55 55 SER HA H 55 4.623 4.786 -0.163 1
1 601 . 15 1 1 A 55 55 SER CA C 55 58.553 56.777 1.776 1
1 602 . 15 1 1 A 55 55 SER CB C 55 66.037 65.461 0.576 1
1 603 . 15 1 1 A 55 55 SER N N 55 115.895 115.528 0.367 1
1 604 . 15 1 1 A 56 56 LYS H H 56 9.018 9.018 0.000 1
1 605 . 15 1 1 A 56 56 LYS HA H 56 4.115 4.074 0.041 1
1 614 . 15 1 1 A 56 56 LYS CA C 56 58.716 58.720 -0.004 1
1 615 . 15 1 1 A 56 56 LYS CB C 56 32.311 32.074 0.237 1
1 619 . 15 1 1 A 56 56 LYS N N 56 120.334 123.218 -2.884 1
1 620 . 15 1 1 A 57 57 ALA H H 57 7.590 7.531 0.059 1
1 621 . 15 1 1 A 57 57 ALA HA H 57 4.318 4.347 -0.029 1
1 625 . 15 1 1 A 57 57 ALA CA C 57 53.124 52.401 0.723 1
1 626 . 15 1 1 A 57 57 ALA CB C 57 20.015 19.636 0.379 1
1 627 . 15 1 1 A 57 57 ALA N N 57 119.501 120.791 -1.290 1
1 628 . 15 1 1 A 58 58 ASP H H 58 7.588 8.004 -0.416 1
1 629 . 15 1 1 A 58 58 ASP HA H 58 4.441 4.620 -0.179 1
1 632 . 15 1 1 A 58 58 ASP CA C 58 54.193 53.552 0.641 1
1 633 . 15 1 1 A 58 58 ASP CB C 58 41.066 39.513 1.553 1
1 634 . 15 1 1 A 58 58 ASP N N 58 120.195 118.970 1.225 1
1 635 . 15 1 1 A 59 59 ALA H H 59 7.840 8.068 -0.228 1
1 636 . 15 1 1 A 59 59 ALA HA H 59 4.188 4.514 -0.326 1
1 640 . 15 1 1 A 59 59 ALA CA C 59 53.326 51.362 1.964 1
1 641 . 15 1 1 A 59 59 ALA CB C 59 19.094 20.596 -1.502 1
1 642 . 15 1 1 A 59 59 ALA N N 59 124.358 127.097 -2.739 1
1 643 . 15 1 1 A 60 60 LEU H H 60 8.078 7.314 0.764 1
1 644 . 15 1 1 A 60 60 LEU HA H 60 4.100 4.470 -0.370 1
1 654 . 15 1 1 A 60 60 LEU CA C 60 56.210 54.385 1.825 1
1 655 . 15 1 1 A 60 60 LEU CB C 60 41.973 39.614 2.359 1
1 659 . 15 1 1 A 60 60 LEU N N 60 119.688 121.421 -1.733 1
1 660 . 15 1 1 A 61 61 GLU H H 61 8.042 8.063 -0.021 1
1 661 . 15 1 1 A 61 61 GLU HA H 61 4.072 4.701 -0.629 1
1 666 . 15 1 1 A 61 61 GLU CA C 61 56.896 55.064 1.832 1
1 667 . 15 1 1 A 61 61 GLU CB C 61 29.776 29.784 -0.008 1
1 669 . 15 1 1 A 61 61 GLU N N 61 119.804 119.270 0.534 1
1 670 . 15 1 1 A 62 62 HIS H H 62 8.153 8.288 -0.135 1
1 671 . 15 1 1 A 62 62 HIS HA H 62 4.610 4.541 0.069 1
1 674 . 15 1 1 A 62 62 HIS CA C 62 56.131 57.390 -1.259 1
1 675 . 15 1 1 A 62 62 HIS CB C 62 29.250 30.165 -0.915 1
1 676 . 15 1 1 A 62 62 HIS N N 62 117.955 120.000 -2.045 1
1 677 . 15 1 1 A 63 63 HIS H H 63 8.324 7.440 0.884 1
1 678 . 15 1 1 A 63 63 HIS HA H 63 4.520 4.676 -0.156 1
1 681 . 15 1 1 A 63 63 HIS CA C 63 57.194 56.731 0.463 1
1 682 . 15 1 1 A 63 63 HIS CB C 63 29.761 32.134 -2.373 1
1 1 . 16 1 1 A 2 2 THR HA H 2 3.902 4.413 -0.511 1
1 6 . 16 1 1 A 2 2 THR CA C 2 61.460 61.078 0.382 1
1 7 . 16 1 1 A 2 2 THR CB C 2 69.379 69.918 -0.539 1
1 9 . 16 1 1 A 3 3 ILE H H 3 8.671 8.572 0.099 1
1 10 . 16 1 1 A 3 3 ILE HA H 3 4.166 4.228 -0.062 1
1 20 . 16 1 1 A 3 3 ILE CA C 3 61.569 62.170 -0.601 1
1 21 . 16 1 1 A 3 3 ILE CB C 3 38.770 38.523 0.247 1
1 25 . 16 1 1 A 3 3 ILE N N 3 124.520 121.939 2.581 1
1 26 . 16 1 1 A 4 4 GLN H H 4 8.477 8.004 0.473 1
1 27 . 16 1 1 A 4 4 GLN HA H 4 4.291 4.436 -0.145 1
1 34 . 16 1 1 A 4 4 GLN CA C 4 55.615 57.339 -1.724 1
1 35 . 16 1 1 A 4 4 GLN CB C 4 29.590 27.466 2.124 1
1 37 . 16 1 1 A 4 4 GLN N N 4 124.855 117.830 7.025 1
1 39 . 16 1 1 A 5 5 ALA H H 5 8.334 8.688 -0.354 1
1 40 . 16 1 1 A 5 5 ALA HA H 5 4.568 3.893 0.675 1
1 44 . 16 1 1 A 5 5 ALA CA C 5 50.464 52.772 -2.308 1
1 45 . 16 1 1 A 5 5 ALA CB C 5 18.235 17.412 0.823 1
1 46 . 16 1 1 A 5 5 ALA N N 5 127.159 122.387 4.772 1
1 47 . 16 1 1 A 6 6 PRO HA H 6 4.429 4.637 -0.208 1
1 53 . 16 1 1 A 6 6 PRO CA C 6 63.072 62.394 0.678 1
1 54 . 16 1 1 A 6 6 PRO CB C 6 32.220 29.073 3.147 1
1 57 . 16 1 1 A 7 7 GLU H H 7 8.363 8.572 -0.209 1
1 58 . 16 1 1 A 7 7 GLU HA H 7 4.280 4.361 -0.081 1
1 62 . 16 1 1 A 7 7 GLU CA C 7 56.298 56.276 0.022 1
1 63 . 16 1 1 A 7 7 GLU CB C 7 31.415 30.610 0.805 1
1 65 . 16 1 1 A 7 7 GLU N N 7 122.629 122.886 -0.257 1
1 66 . 16 1 1 A 8 8 THR H H 8 8.219 8.604 -0.385 1
1 67 . 16 1 1 A 8 8 THR HA H 8 4.948 5.176 -0.228 1
1 72 . 16 1 1 A 8 8 THR CA C 8 62.157 61.462 0.695 1
1 73 . 16 1 1 A 8 8 THR CB C 8 70.658 71.487 -0.829 1
1 75 . 16 1 1 A 8 8 THR N N 8 119.082 120.330 -1.248 1
1 76 . 16 1 1 A 9 9 LYS H H 9 8.885 8.903 -0.018 1
1 77 . 16 1 1 A 9 9 LYS HA H 9 4.513 5.052 -0.539 1
1 86 . 16 1 1 A 9 9 LYS CA C 9 55.062 54.819 0.243 1
1 87 . 16 1 1 A 9 9 LYS CB C 9 35.316 35.887 -0.571 1
1 91 . 16 1 1 A 9 9 LYS N N 9 128.038 123.514 4.524 1
1 92 . 16 1 1 A 10 10 ILE H H 10 8.550 8.864 -0.314 1
1 93 . 16 1 1 A 10 10 ILE HA H 10 5.029 5.013 0.016 1
1 103 . 16 1 1 A 10 10 ILE CA C 10 59.908 59.989 -0.081 1
1 104 . 16 1 1 A 10 10 ILE CB C 10 37.184 38.114 -0.930 1
1 108 . 16 1 1 A 10 10 ILE N N 10 124.813 124.944 -0.131 1
1 109 . 16 1 1 A 11 11 VAL H H 11 9.253 9.196 0.057 1
1 110 . 16 1 1 A 11 11 VAL HA H 11 4.970 4.945 0.025 1
1 118 . 16 1 1 A 11 11 VAL CA C 11 59.300 59.427 -0.127 1
1 119 . 16 1 1 A 11 11 VAL CB C 11 35.700 34.728 0.972 1
1 122 . 16 1 1 A 11 11 VAL N N 11 121.581 125.221 -3.640 1
1 123 . 16 1 1 A 12 12 ASP H H 12 8.471 8.778 -0.307 1
1 124 . 16 1 1 A 12 12 ASP HA H 12 4.825 4.854 -0.029 1
1 127 . 16 1 1 A 12 12 ASP CA C 12 53.836 55.835 -1.999 1
1 128 . 16 1 1 A 12 12 ASP CB C 12 41.671 43.065 -1.394 1
1 129 . 16 1 1 A 12 12 ASP N N 12 118.084 121.027 -2.943 1
1 130 . 16 1 1 A 13 13 LYS H H 13 7.170 7.674 -0.504 1
1 131 . 16 1 1 A 13 13 LYS HA H 13 4.679 4.762 -0.083 1
1 140 . 16 1 1 A 13 13 LYS CA C 13 54.180 54.775 -0.595 1
1 141 . 16 1 1 A 13 13 LYS CB C 13 35.890 35.524 0.366 1
1 145 . 16 1 1 A 13 13 LYS N N 13 117.300 118.464 -1.164 1
1 146 . 16 1 1 A 14 14 SER H H 14 8.254 8.657 -0.403 1
1 147 . 16 1 1 A 14 14 SER HA H 14 4.170 4.416 -0.246 1
1 150 . 16 1 1 A 14 14 SER CA C 14 60.024 60.674 -0.650 1
1 151 . 16 1 1 A 14 14 SER CB C 14 63.593 63.362 0.231 1
1 152 . 16 1 1 A 14 14 SER N N 14 111.308 115.817 -4.509 1
1 153 . 16 1 1 A 15 15 ARG H H 15 7.110 7.550 -0.440 1
1 154 . 16 1 1 A 15 15 ARG HA H 15 5.297 4.939 0.358 1
1 161 . 16 1 1 A 15 15 ARG CA C 15 55.163 55.273 -0.110 1
1 162 . 16 1 1 A 15 15 ARG CB C 15 31.260 32.086 -0.826 1
1 165 . 16 1 1 A 15 15 ARG N N 15 121.362 121.440 -0.078 1
1 166 . 16 1 1 A 16 16 VAL H H 16 8.809 8.862 -0.053 1
1 167 . 16 1 1 A 16 16 VAL HA H 16 4.450 4.663 -0.213 1
1 175 . 16 1 1 A 16 16 VAL CA C 16 59.600 60.128 -0.528 1
1 176 . 16 1 1 A 16 16 VAL CB C 16 35.800 35.183 0.617 1
1 179 . 16 1 1 A 16 16 VAL N N 16 124.300 126.237 -1.937 1
1 180 . 16 1 1 A 17 17 ALA H H 17 8.009 8.518 -0.509 1
1 181 . 16 1 1 A 17 17 ALA HA H 17 4.322 4.563 -0.241 1
1 185 . 16 1 1 A 17 17 ALA CA C 17 49.691 50.339 -0.648 1
1 186 . 16 1 1 A 17 17 ALA CB C 17 17.652 19.140 -1.488 1
1 187 . 16 1 1 A 17 17 ALA N N 17 127.911 128.399 -0.488 1
1 188 . 16 1 1 A 18 18 CYS H H 18 8.814 8.679 0.135 1
1 189 . 16 1 1 A 18 18 CYS HA H 18 4.492 5.013 -0.521 1
1 192 . 16 1 1 A 18 18 CYS CA C 18 59.650 58.441 1.209 1
1 193 . 16 1 1 A 18 18 CYS CB C 18 31.882 27.507 4.375 1
1 194 . 16 1 1 A 18 18 CYS N N 18 123.363 123.710 -0.347 1
1 195 . 16 1 1 A 19 19 ASP H H 19 8.528 8.569 -0.041 1
1 196 . 16 1 1 A 19 19 ASP HA H 19 4.489 4.456 0.033 1
1 199 . 16 1 1 A 19 19 ASP CA C 19 53.107 56.346 -3.239 1
1 200 . 16 1 1 A 19 19 ASP CB C 19 42.346 40.876 1.470 1
1 201 . 16 1 1 A 19 19 ASP N N 19 128.758 127.206 1.552 1
1 202 . 16 1 1 A 20 20 GLY H H 20 9.037 7.388 1.649 1
1 203 . 16 1 1 A 20 20 GLY HA2 H 20 4.079 3.797 0.282 1
1 204 . 16 1 1 A 20 20 GLY HA3 H 20 3.906 3.988 -0.082 1
1 205 . 16 1 1 A 20 20 GLY CA C 20 45.894 45.352 0.542 1
1 206 . 16 1 1 A 20 20 GLY N N 20 115.047 104.130 10.917 1
1 207 . 16 1 1 A 21 21 GLY H H 21 7.336 8.605 -1.269 1
1 208 . 16 1 1 A 21 21 GLY HA2 H 21 4.246 3.978 0.268 1
1 209 . 16 1 1 A 21 21 GLY HA3 H 21 3.612 3.981 -0.369 1
1 210 . 16 1 1 A 21 21 GLY CA C 21 44.222 46.502 -2.280 1
1 211 . 16 1 1 A 21 21 GLY N N 21 109.000 110.649 -1.649 1
1 212 . 16 1 1 A 22 22 GLU H H 22 8.359 8.042 0.317 1
1 213 . 16 1 1 A 22 22 GLU HA H 22 4.192 4.540 -0.348 1
1 218 . 16 1 1 A 22 22 GLU CA C 22 56.200 54.464 1.736 1
1 219 . 16 1 1 A 22 22 GLU CB C 22 30.746 31.215 -0.469 1
1 221 . 16 1 1 A 22 22 GLU N N 22 118.322 118.562 -0.240 1
1 222 . 16 1 1 A 23 23 GLY H H 23 8.809 8.618 0.191 1
1 223 . 16 1 1 A 23 23 GLY HA2 H 23 3.780 3.743 0.037 1
1 224 . 16 1 1 A 23 23 GLY HA3 H 23 3.835 3.755 0.080 1
1 225 . 16 1 1 A 23 23 GLY CA C 23 46.688 47.430 -0.742 1
1 226 . 16 1 1 A 23 23 GLY N N 23 111.934 110.430 1.504 1
1 227 . 16 1 1 A 24 24 ALA H H 24 8.995 7.926 1.069 1
1 228 . 16 1 1 A 24 24 ALA HA H 24 4.246 4.105 0.141 1
1 232 . 16 1 1 A 24 24 ALA CA C 24 53.645 53.812 -0.167 1
1 233 . 16 1 1 A 24 24 ALA CB C 24 18.641 18.435 0.206 1
1 234 . 16 1 1 A 24 24 ALA N N 24 129.183 124.557 4.626 1
1 235 . 16 1 1 A 25 25 LEU H H 25 7.780 7.471 0.309 1
1 236 . 16 1 1 A 25 25 LEU HA H 25 4.407 4.399 0.008 1
1 246 . 16 1 1 A 25 25 LEU CA C 25 54.551 54.092 0.459 1
1 247 . 16 1 1 A 25 25 LEU CB C 25 41.305 41.417 -0.112 1
1 251 . 16 1 1 A 25 25 LEU N N 25 116.850 114.634 2.216 1
1 252 . 16 1 1 A 26 26 GLY H H 26 7.808 7.489 0.319 1
1 253 . 16 1 1 A 26 26 GLY HA2 H 26 4.313 3.707 0.606 1
1 254 . 16 1 1 A 26 26 GLY HA3 H 26 3.685 3.874 -0.189 1
1 255 . 16 1 1 A 26 26 GLY CA C 26 45.895 45.043 0.852 1
1 256 . 16 1 1 A 26 26 GLY N N 26 110.392 107.922 2.470 1
1 257 . 16 1 1 A 27 27 HIS H H 27 7.626 8.773 -1.147 1
1 258 . 16 1 1 A 27 27 HIS HA H 27 4.999 4.814 0.185 1
1 263 . 16 1 1 A 27 27 HIS CA C 27 53.604 54.308 -0.704 1
1 264 . 16 1 1 A 27 27 HIS CB C 27 28.333 30.179 -1.846 1
1 267 . 16 1 1 A 27 27 HIS N N 27 118.046 121.442 -3.396 1
1 268 . 16 1 1 A 28 28 PRO HA H 28 4.270 4.442 -0.172 1
1 275 . 16 1 1 A 28 28 PRO CA C 28 63.293 62.595 0.698 1
1 276 . 16 1 1 A 28 28 PRO CB C 28 31.916 29.577 2.339 1
1 279 . 16 1 1 A 29 29 ARG H H 29 8.464 8.259 0.205 1
1 280 . 16 1 1 A 29 29 ARG HA H 29 4.350 3.814 0.536 1
1 288 . 16 1 1 A 29 29 ARG CA C 29 58.043 56.867 1.176 1
1 289 . 16 1 1 A 29 29 ARG CB C 29 30.269 28.731 1.538 1
1 292 . 16 1 1 A 29 29 ARG N N 29 125.844 118.745 7.099 1
1 294 . 16 1 1 A 30 30 VAL H H 30 8.472 7.827 0.645 1
1 295 . 16 1 1 A 30 30 VAL HA H 30 4.540 4.897 -0.357 1
1 303 . 16 1 1 A 30 30 VAL CA C 30 59.500 60.379 -0.879 1
1 304 . 16 1 1 A 30 30 VAL CB C 30 35.700 34.192 1.508 1
1 307 . 16 1 1 A 30 30 VAL N N 30 125.322 117.393 7.929 1
1 308 . 16 1 1 A 31 31 TRP H H 31 8.648 9.036 -0.388 1
1 309 . 16 1 1 A 31 31 TRP HA H 31 4.864 5.095 -0.231 1
1 318 . 16 1 1 A 31 31 TRP CA C 31 56.885 56.343 0.542 1
1 319 . 16 1 1 A 31 31 TRP CB C 31 29.922 29.975 -0.053 1
1 325 . 16 1 1 A 31 31 TRP N N 31 125.162 127.357 -2.195 1
1 327 . 16 1 1 A 32 32 LEU H H 32 9.634 9.208 0.426 1
1 328 . 16 1 1 A 32 32 LEU HA H 32 4.701 4.885 -0.184 1
1 338 . 16 1 1 A 32 32 LEU CA C 32 53.078 53.743 -0.665 1
1 339 . 16 1 1 A 32 32 LEU CB C 32 44.467 43.349 1.118 1
1 343 . 16 1 1 A 32 32 LEU N N 32 125.975 125.548 0.427 1
1 344 . 16 1 1 A 33 33 GLN H H 33 8.446 8.839 -0.393 1
1 345 . 16 1 1 A 33 33 GLN HA H 33 5.027 5.216 -0.189 1
1 352 . 16 1 1 A 33 33 GLN CA C 33 53.279 54.143 -0.864 1
1 353 . 16 1 1 A 33 33 GLN CB C 33 30.512 32.112 -1.600 1
1 355 . 16 1 1 A 33 33 GLN N N 33 121.000 121.598 -0.598 1
1 357 . 16 1 1 A 34 34 ILE H H 34 9.377 8.968 0.409 1
1 358 . 16 1 1 A 34 34 ILE HA H 34 3.900 4.633 -0.733 1
1 368 . 16 1 1 A 34 34 ILE CA C 34 60.335 58.097 2.238 1
1 369 . 16 1 1 A 34 34 ILE CB C 34 38.613 38.341 0.272 1
1 373 . 16 1 1 A 34 34 ILE N N 34 128.325 127.147 1.178 1
1 374 . 16 1 1 A 35 35 PRO HA H 35 4.471 4.736 -0.265 1
1 381 . 16 1 1 A 35 35 PRO CA C 35 62.744 62.662 0.082 1
1 382 . 16 1 1 A 35 35 PRO CB C 35 32.282 31.733 0.549 1
1 385 . 16 1 1 A 36 36 GLU H H 36 8.971 8.634 0.337 1
1 386 . 16 1 1 A 36 36 GLU HA H 36 3.918 4.225 -0.307 1
1 391 . 16 1 1 A 36 36 GLU CA C 36 59.030 59.037 -0.007 1
1 392 . 16 1 1 A 36 36 GLU CB C 36 29.791 28.887 0.904 1
1 394 . 16 1 1 A 36 36 GLU N N 36 124.755 124.363 0.392 1
1 395 . 16 1 1 A 37 37 ASP H H 37 8.657 8.054 0.603 1
1 396 . 16 1 1 A 37 37 ASP HA H 37 4.421 4.432 -0.011 1
1 399 . 16 1 1 A 37 37 ASP CA C 37 55.552 56.982 -1.430 1
1 400 . 16 1 1 A 37 37 ASP CB C 37 39.824 40.447 -0.623 1
1 401 . 16 1 1 A 37 37 ASP N N 37 114.541 120.204 -5.663 1
1 402 . 16 1 1 A 38 38 THR H H 38 7.498 7.631 -0.133 1
1 403 . 16 1 1 A 38 38 THR HA H 38 4.415 4.285 0.130 1
1 408 . 16 1 1 A 38 38 THR CA C 38 62.748 62.499 0.249 1
1 409 . 16 1 1 A 38 38 THR CB C 38 69.280 69.976 -0.696 1
1 411 . 16 1 1 A 38 38 THR N N 38 109.405 108.195 1.210 1
1 412 . 16 1 1 A 39 39 GLY H H 39 7.967 8.502 -0.535 1
1 413 . 16 1 1 A 39 39 GLY HA2 H 39 4.446 3.927 0.519 1
1 414 . 16 1 1 A 39 39 GLY HA3 H 39 3.619 3.995 -0.376 1
1 415 . 16 1 1 A 39 39 GLY CA C 39 46.428 45.269 1.159 1
1 416 . 16 1 1 A 39 39 GLY N N 39 108.005 110.758 -2.753 1
1 417 . 16 1 1 A 40 40 TRP H H 40 7.442 6.929 0.513 1
1 418 . 16 1 1 A 40 40 TRP HA H 40 5.960 5.651 0.309 1
1 427 . 16 1 1 A 40 40 TRP CA C 40 54.581 55.708 -1.127 1
1 428 . 16 1 1 A 40 40 TRP CB C 40 33.231 31.455 1.776 1
1 434 . 16 1 1 A 40 40 TRP N N 40 114.404 116.764 -2.360 1
1 436 . 16 1 1 A 41 41 VAL H H 41 9.317 8.989 0.328 1
1 437 . 16 1 1 A 41 41 VAL HA H 41 4.260 4.845 -0.585 1
1 445 . 16 1 1 A 41 41 VAL CA C 41 60.900 60.410 0.490 1
1 446 . 16 1 1 A 41 41 VAL CB C 41 36.400 35.972 0.428 1
1 449 . 16 1 1 A 41 41 VAL N N 41 119.203 121.126 -1.923 1
1 450 . 16 1 1 A 42 42 GLU H H 42 8.635 8.677 -0.042 1
1 451 . 16 1 1 A 42 42 GLU HA H 42 5.559 5.068 0.491 1
1 456 . 16 1 1 A 42 42 GLU CA C 42 53.676 55.680 -2.004 1
1 457 . 16 1 1 A 42 42 GLU CB C 42 32.534 31.493 1.041 1
1 459 . 16 1 1 A 42 42 GLU N N 42 125.457 126.113 -0.656 1
1 460 . 16 1 1 A 43 43 CYS H H 43 9.018 8.455 0.563 1
1 461 . 16 1 1 A 43 43 CYS HA H 43 4.710 5.121 -0.411 1
1 464 . 16 1 1 A 43 43 CYS CA C 43 56.955 57.119 -0.164 1
1 465 . 16 1 1 A 43 43 CYS CB C 43 31.650 28.370 3.280 1
1 466 . 16 1 1 A 43 43 CYS N N 43 127.165 120.449 6.716 1
1 467 . 16 1 1 A 44 44 PRO HA H 44 4.455 4.353 0.102 1
1 474 . 16 1 1 A 44 44 PRO CA C 44 64.002 64.045 -0.043 1
1 475 . 16 1 1 A 44 44 PRO CB C 44 31.979 31.586 0.393 1
1 478 . 16 1 1 A 45 45 TYR H H 45 9.205 8.185 1.020 1
1 479 . 16 1 1 A 45 45 TYR HA H 45 4.477 4.316 0.161 1
1 486 . 16 1 1 A 45 45 TYR CA C 45 59.357 60.610 -1.253 1
1 487 . 16 1 1 A 45 45 TYR CB C 45 38.009 38.722 -0.713 1
1 492 . 16 1 1 A 45 45 TYR N N 45 120.751 117.576 3.175 1
1 493 . 16 1 1 A 46 46 CYS H H 46 8.097 7.871 0.226 1
1 494 . 16 1 1 A 46 46 CYS HA H 46 5.092 4.919 0.173 1
1 497 . 16 1 1 A 46 46 CYS CA C 46 58.497 59.100 -0.603 1
1 498 . 16 1 1 A 46 46 CYS CB C 46 32.055 29.363 2.692 1
1 499 . 16 1 1 A 46 46 CYS N N 46 117.233 113.729 3.504 1
1 500 . 16 1 1 A 47 47 ASP H H 47 7.967 8.415 -0.448 1
1 501 . 16 1 1 A 47 47 ASP HA H 47 4.629 4.880 -0.251 1
1 504 . 16 1 1 A 47 47 ASP CA C 47 56.076 55.681 0.395 1
1 505 . 16 1 1 A 47 47 ASP CB C 47 39.369 42.173 -2.804 1
1 506 . 16 1 1 A 47 47 ASP N N 47 118.439 123.953 -5.514 1
1 507 . 16 1 1 A 48 48 CYS H H 48 8.364 7.499 0.865 1
1 508 . 16 1 1 A 48 48 CYS HA H 48 4.175 4.600 -0.425 1
1 511 . 16 1 1 A 48 48 CYS CA C 48 61.629 58.075 3.554 1
1 512 . 16 1 1 A 48 48 CYS CB C 48 28.528 31.160 -2.632 1
1 513 . 16 1 1 A 48 48 CYS N N 48 121.540 115.614 5.926 1
1 514 . 16 1 1 A 49 49 LYS H H 49 8.542 8.825 -0.283 1
1 515 . 16 1 1 A 49 49 LYS HA H 49 4.956 4.786 0.170 1
1 524 . 16 1 1 A 49 49 LYS CA C 49 55.388 54.745 0.643 1
1 525 . 16 1 1 A 49 49 LYS CB C 49 34.179 33.827 0.352 1
1 529 . 16 1 1 A 49 49 LYS N N 49 129.258 122.914 6.344 1
1 530 . 16 1 1 A 50 50 TYR H H 50 9.320 9.329 -0.009 1
1 531 . 16 1 1 A 50 50 TYR HA H 50 5.264 5.140 0.124 1
1 538 . 16 1 1 A 50 50 TYR CA C 50 57.636 57.440 0.196 1
1 539 . 16 1 1 A 50 50 TYR CB C 50 40.412 38.304 2.108 1
1 544 . 16 1 1 A 50 50 TYR N N 50 125.926 127.804 -1.878 1
1 545 . 16 1 1 A 51 51 VAL H H 51 8.925 9.051 -0.126 1
1 546 . 16 1 1 A 51 51 VAL HA H 51 4.824 4.553 0.271 1
1 554 . 16 1 1 A 51 51 VAL CA C 51 59.968 62.431 -2.463 1
1 555 . 16 1 1 A 51 51 VAL CB C 51 35.624 32.565 3.059 1
1 558 . 16 1 1 A 51 51 VAL N N 51 122.631 125.322 -2.691 1
1 559 . 16 1 1 A 52 52 LEU H H 52 8.771 8.878 -0.107 1
1 560 . 16 1 1 A 52 52 LEU HA H 52 4.496 5.026 -0.530 1
1 570 . 16 1 1 A 52 52 LEU CA C 52 54.163 53.808 0.355 1
1 571 . 16 1 1 A 52 52 LEU CB C 52 43.220 44.418 -1.198 1
1 575 . 16 1 1 A 52 52 LEU N N 52 127.249 130.072 -2.823 1
1 576 . 16 1 1 A 53 53 LYS H H 53 9.317 8.749 0.568 1
1 577 . 16 1 1 A 53 53 LYS HA H 53 4.028 3.950 0.078 1
1 586 . 16 1 1 A 53 53 LYS CA C 53 57.885 58.039 -0.154 1
1 587 . 16 1 1 A 53 53 LYS CB C 53 32.819 32.258 0.561 1
1 591 . 16 1 1 A 53 53 LYS N N 53 132.446 126.173 6.273 1
1 592 . 16 1 1 A 54 54 GLY H H 54 10.642 8.747 1.895 1
1 593 . 16 1 1 A 54 54 GLY HA2 H 54 4.195 3.925 0.270 1
1 594 . 16 1 1 A 54 54 GLY HA3 H 54 3.817 3.926 -0.109 1
1 595 . 16 1 1 A 54 54 GLY CA C 54 45.390 45.731 -0.341 1
1 596 . 16 1 1 A 54 54 GLY N N 54 117.440 114.914 2.526 1
1 597 . 16 1 1 A 55 55 SER H H 55 7.996 7.509 0.487 1
1 598 . 16 1 1 A 55 55 SER HA H 55 4.623 4.799 -0.176 1
1 601 . 16 1 1 A 55 55 SER CA C 55 58.553 56.596 1.957 1
1 602 . 16 1 1 A 55 55 SER CB C 55 66.037 65.529 0.508 1
1 603 . 16 1 1 A 55 55 SER N N 55 115.895 115.233 0.662 1
1 604 . 16 1 1 A 56 56 LYS H H 56 9.018 8.505 0.513 1
1 605 . 16 1 1 A 56 56 LYS HA H 56 4.115 3.955 0.160 1
1 614 . 16 1 1 A 56 56 LYS CA C 56 58.716 60.457 -1.741 1
1 615 . 16 1 1 A 56 56 LYS CB C 56 32.311 31.962 0.349 1
1 619 . 16 1 1 A 56 56 LYS N N 56 120.334 125.599 -5.265 1
1 620 . 16 1 1 A 57 57 ALA H H 57 7.590 8.035 -0.445 1
1 621 . 16 1 1 A 57 57 ALA HA H 57 4.318 4.261 0.057 1
1 625 . 16 1 1 A 57 57 ALA CA C 57 53.124 52.767 0.357 1
1 626 . 16 1 1 A 57 57 ALA CB C 57 20.015 18.590 1.425 1
1 627 . 16 1 1 A 57 57 ALA N N 57 119.501 120.274 -0.773 1
1 628 . 16 1 1 A 58 58 ASP H H 58 7.588 8.098 -0.510 1
1 629 . 16 1 1 A 58 58 ASP HA H 58 4.441 4.429 0.012 1
1 632 . 16 1 1 A 58 58 ASP CA C 58 54.193 56.711 -2.518 1
1 633 . 16 1 1 A 58 58 ASP CB C 58 41.066 40.870 0.196 1
1 634 . 16 1 1 A 58 58 ASP N N 58 120.195 118.725 1.470 1
1 635 . 16 1 1 A 59 59 ALA H H 59 7.840 7.564 0.276 1
1 636 . 16 1 1 A 59 59 ALA HA H 59 4.188 4.401 -0.213 1
1 640 . 16 1 1 A 59 59 ALA CA C 59 53.326 52.113 1.213 1
1 641 . 16 1 1 A 59 59 ALA CB C 59 19.094 17.356 1.738 1
1 642 . 16 1 1 A 59 59 ALA N N 59 124.358 119.545 4.813 1
1 643 . 16 1 1 A 60 60 LEU H H 60 8.078 7.569 0.509 1
1 644 . 16 1 1 A 60 60 LEU HA H 60 4.100 4.411 -0.311 1
1 654 . 16 1 1 A 60 60 LEU CA C 60 56.210 54.527 1.683 1
1 655 . 16 1 1 A 60 60 LEU CB C 60 41.973 43.134 -1.161 1
1 659 . 16 1 1 A 60 60 LEU N N 60 119.688 117.065 2.623 1
1 660 . 16 1 1 A 61 61 GLU H H 61 8.042 9.035 -0.993 1
1 661 . 16 1 1 A 61 61 GLU HA H 61 4.072 3.881 0.191 1
1 666 . 16 1 1 A 61 61 GLU CA C 61 56.896 57.540 -0.644 1
1 667 . 16 1 1 A 61 61 GLU CB C 61 29.776 27.061 2.715 1
1 669 . 16 1 1 A 61 61 GLU N N 61 119.804 116.600 3.204 1
1 670 . 16 1 1 A 62 62 HIS H H 62 8.153 8.053 0.100 1
1 671 . 16 1 1 A 62 62 HIS HA H 62 4.610 4.643 -0.033 1
1 674 . 16 1 1 A 62 62 HIS CA C 62 56.131 57.337 -1.206 1
1 675 . 16 1 1 A 62 62 HIS CB C 62 29.250 29.915 -0.665 1
1 676 . 16 1 1 A 62 62 HIS N N 62 117.955 118.105 -0.150 1
1 677 . 16 1 1 A 63 63 HIS H H 63 8.324 8.109 0.215 1
1 678 . 16 1 1 A 63 63 HIS HA H 63 4.520 4.004 0.516 1
1 681 . 16 1 1 A 63 63 HIS CA C 63 57.194 56.871 0.323 1
1 682 . 16 1 1 A 63 63 HIS CB C 63 29.761 28.979 0.782 1
1 1 . 17 1 1 A 2 2 THR HA H 2 3.902 4.634 -0.732 1
1 6 . 17 1 1 A 2 2 THR CA C 2 61.460 61.158 0.302 1
1 7 . 17 1 1 A 2 2 THR CB C 2 69.379 70.965 -1.586 1
1 9 . 17 1 1 A 3 3 ILE H H 3 8.671 8.877 -0.206 1
1 10 . 17 1 1 A 3 3 ILE HA H 3 4.166 3.896 0.270 1
1 20 . 17 1 1 A 3 3 ILE CA C 3 61.569 61.565 0.004 1
1 21 . 17 1 1 A 3 3 ILE CB C 3 38.770 38.248 0.522 1
1 25 . 17 1 1 A 3 3 ILE N N 3 124.520 122.403 2.117 1
1 26 . 17 1 1 A 4 4 GLN H H 4 8.477 7.845 0.632 1
1 27 . 17 1 1 A 4 4 GLN HA H 4 4.291 4.032 0.259 1
1 34 . 17 1 1 A 4 4 GLN CA C 4 55.615 57.563 -1.948 1
1 35 . 17 1 1 A 4 4 GLN CB C 4 29.590 26.428 3.162 1
1 37 . 17 1 1 A 4 4 GLN N N 4 124.855 118.121 6.734 1
1 39 . 17 1 1 A 5 5 ALA H H 5 8.334 7.729 0.605 1
1 40 . 17 1 1 A 5 5 ALA HA H 5 4.568 4.735 -0.167 1
1 44 . 17 1 1 A 5 5 ALA CA C 5 50.464 49.504 0.960 1
1 45 . 17 1 1 A 5 5 ALA CB C 5 18.235 19.162 -0.927 1
1 46 . 17 1 1 A 5 5 ALA N N 5 127.159 120.927 6.232 1
1 47 . 17 1 1 A 6 6 PRO HA H 6 4.429 4.774 -0.345 1
1 53 . 17 1 1 A 6 6 PRO CA C 6 63.072 62.098 0.974 1
1 54 . 17 1 1 A 6 6 PRO CB C 6 32.220 30.143 2.077 1
1 57 . 17 1 1 A 7 7 GLU H H 7 8.363 8.336 0.027 1
1 58 . 17 1 1 A 7 7 GLU HA H 7 4.280 4.178 0.102 1
1 62 . 17 1 1 A 7 7 GLU CA C 7 56.298 56.585 -0.287 1
1 63 . 17 1 1 A 7 7 GLU CB C 7 31.415 28.850 2.565 1
1 65 . 17 1 1 A 7 7 GLU N N 7 122.629 120.884 1.745 1
1 66 . 17 1 1 A 8 8 THR H H 8 8.219 7.605 0.614 1
1 67 . 17 1 1 A 8 8 THR HA H 8 4.948 4.315 0.633 1
1 72 . 17 1 1 A 8 8 THR CA C 8 62.157 62.167 -0.010 1
1 73 . 17 1 1 A 8 8 THR CB C 8 70.658 68.937 1.721 1
1 75 . 17 1 1 A 8 8 THR N N 8 119.082 116.725 2.357 1
1 76 . 17 1 1 A 9 9 LYS H H 9 8.885 9.069 -0.184 1
1 77 . 17 1 1 A 9 9 LYS HA H 9 4.513 4.735 -0.222 1
1 86 . 17 1 1 A 9 9 LYS CA C 9 55.062 54.996 0.066 1
1 87 . 17 1 1 A 9 9 LYS CB C 9 35.316 33.907 1.409 1
1 91 . 17 1 1 A 9 9 LYS N N 9 128.038 127.601 0.437 1
1 92 . 17 1 1 A 10 10 ILE H H 10 8.550 8.752 -0.202 1
1 93 . 17 1 1 A 10 10 ILE HA H 10 5.029 4.611 0.418 1
1 103 . 17 1 1 A 10 10 ILE CA C 10 59.908 61.148 -1.240 1
1 104 . 17 1 1 A 10 10 ILE CB C 10 37.184 36.622 0.562 1
1 108 . 17 1 1 A 10 10 ILE N N 10 124.813 128.950 -4.137 1
1 109 . 17 1 1 A 11 11 VAL H H 11 9.253 9.130 0.123 1
1 110 . 17 1 1 A 11 11 VAL HA H 11 4.970 4.578 0.392 1
1 118 . 17 1 1 A 11 11 VAL CA C 11 59.300 60.897 -1.597 1
1 119 . 17 1 1 A 11 11 VAL CB C 11 35.700 33.313 2.387 1
1 122 . 17 1 1 A 11 11 VAL N N 11 121.581 128.520 -6.939 1
1 123 . 17 1 1 A 12 12 ASP H H 12 8.471 9.133 -0.662 1
1 124 . 17 1 1 A 12 12 ASP HA H 12 4.825 4.762 0.063 1
1 127 . 17 1 1 A 12 12 ASP CA C 12 53.836 54.414 -0.578 1
1 128 . 17 1 1 A 12 12 ASP CB C 12 41.671 42.081 -0.410 1
1 129 . 17 1 1 A 12 12 ASP N N 12 118.084 124.627 -6.543 1
1 130 . 17 1 1 A 13 13 LYS H H 13 7.170 7.425 -0.255 1
1 131 . 17 1 1 A 13 13 LYS HA H 13 4.679 4.748 -0.069 1
1 140 . 17 1 1 A 13 13 LYS CA C 13 54.180 54.688 -0.508 1
1 141 . 17 1 1 A 13 13 LYS CB C 13 35.890 36.470 -0.580 1
1 145 . 17 1 1 A 13 13 LYS N N 13 117.300 118.355 -1.055 1
1 146 . 17 1 1 A 14 14 SER H H 14 8.254 8.727 -0.473 1
1 147 . 17 1 1 A 14 14 SER HA H 14 4.170 4.356 -0.186 1
1 150 . 17 1 1 A 14 14 SER CA C 14 60.024 60.917 -0.893 1
1 151 . 17 1 1 A 14 14 SER CB C 14 63.593 63.281 0.312 1
1 152 . 17 1 1 A 14 14 SER N N 14 111.308 116.489 -5.181 1
1 153 . 17 1 1 A 15 15 ARG H H 15 7.110 7.895 -0.785 1
1 154 . 17 1 1 A 15 15 ARG HA H 15 5.297 4.735 0.562 1
1 161 . 17 1 1 A 15 15 ARG CA C 15 55.163 55.779 -0.616 1
1 162 . 17 1 1 A 15 15 ARG CB C 15 31.260 30.532 0.728 1
1 165 . 17 1 1 A 15 15 ARG N N 15 121.362 121.558 -0.196 1
1 166 . 17 1 1 A 16 16 VAL H H 16 8.809 8.719 0.090 1
1 167 . 17 1 1 A 16 16 VAL HA H 16 4.450 4.552 -0.102 1
1 175 . 17 1 1 A 16 16 VAL CA C 16 59.600 60.922 -1.322 1
1 176 . 17 1 1 A 16 16 VAL CB C 16 35.800 34.044 1.756 1
1 179 . 17 1 1 A 16 16 VAL N N 16 124.300 125.420 -1.120 1
1 180 . 17 1 1 A 17 17 ALA H H 17 8.009 8.285 -0.276 1
1 181 . 17 1 1 A 17 17 ALA HA H 17 4.322 4.321 0.001 1
1 185 . 17 1 1 A 17 17 ALA CA C 17 49.691 49.783 -0.092 1
1 186 . 17 1 1 A 17 17 ALA CB C 17 17.652 19.492 -1.840 1
1 187 . 17 1 1 A 17 17 ALA N N 17 127.911 128.345 -0.434 1
1 188 . 17 1 1 A 18 18 CYS H H 18 8.814 8.748 0.066 1
1 189 . 17 1 1 A 18 18 CYS HA H 18 4.492 4.392 0.100 1
1 192 . 17 1 1 A 18 18 CYS CA C 18 59.650 59.519 0.131 1
1 193 . 17 1 1 A 18 18 CYS CB C 18 31.882 28.082 3.800 1
1 194 . 17 1 1 A 18 18 CYS N N 18 123.363 122.675 0.688 1
1 195 . 17 1 1 A 19 19 ASP H H 19 8.528 9.243 -0.715 1
1 196 . 17 1 1 A 19 19 ASP HA H 19 4.489 4.679 -0.190 1
1 199 . 17 1 1 A 19 19 ASP CA C 19 53.107 55.487 -2.380 1
1 200 . 17 1 1 A 19 19 ASP CB C 19 42.346 42.179 0.167 1
1 201 . 17 1 1 A 19 19 ASP N N 19 128.758 128.098 0.660 1
1 202 . 17 1 1 A 20 20 GLY H H 20 9.037 7.433 1.604 1
1 203 . 17 1 1 A 20 20 GLY HA2 H 20 4.079 3.911 0.168 1
1 204 . 17 1 1 A 20 20 GLY HA3 H 20 3.906 4.017 -0.111 1
1 205 . 17 1 1 A 20 20 GLY CA C 20 45.894 45.242 0.652 1
1 206 . 17 1 1 A 20 20 GLY N N 20 115.047 104.018 11.029 1
1 207 . 17 1 1 A 21 21 GLY H H 21 7.336 8.198 -0.862 1
1 208 . 17 1 1 A 21 21 GLY HA2 H 21 4.246 4.024 0.222 1
1 209 . 17 1 1 A 21 21 GLY HA3 H 21 3.612 4.037 -0.425 1
1 210 . 17 1 1 A 21 21 GLY CA C 21 44.222 46.305 -2.083 1
1 211 . 17 1 1 A 21 21 GLY N N 21 109.000 109.376 -0.376 1
1 212 . 17 1 1 A 22 22 GLU H H 22 8.359 8.113 0.246 1
1 213 . 17 1 1 A 22 22 GLU HA H 22 4.192 4.481 -0.289 1
1 218 . 17 1 1 A 22 22 GLU CA C 22 56.200 55.185 1.015 1
1 219 . 17 1 1 A 22 22 GLU CB C 22 30.746 30.526 0.220 1
1 221 . 17 1 1 A 22 22 GLU N N 22 118.322 119.765 -1.443 1
1 222 . 17 1 1 A 23 23 GLY H H 23 8.809 8.450 0.359 1
1 223 . 17 1 1 A 23 23 GLY HA2 H 23 3.780 3.697 0.083 1
1 224 . 17 1 1 A 23 23 GLY HA3 H 23 3.835 3.713 0.122 1
1 225 . 17 1 1 A 23 23 GLY CA C 23 46.688 47.463 -0.775 1
1 226 . 17 1 1 A 23 23 GLY N N 23 111.934 110.746 1.188 1
1 227 . 17 1 1 A 24 24 ALA H H 24 8.995 7.831 1.164 1
1 228 . 17 1 1 A 24 24 ALA HA H 24 4.246 4.103 0.143 1
1 232 . 17 1 1 A 24 24 ALA CA C 24 53.645 54.002 -0.357 1
1 233 . 17 1 1 A 24 24 ALA CB C 24 18.641 18.400 0.241 1
1 234 . 17 1 1 A 24 24 ALA N N 24 129.183 124.764 4.419 1
1 235 . 17 1 1 A 25 25 LEU H H 25 7.780 7.728 0.052 1
1 236 . 17 1 1 A 25 25 LEU HA H 25 4.407 4.451 -0.044 1
1 246 . 17 1 1 A 25 25 LEU CA C 25 54.551 54.222 0.329 1
1 247 . 17 1 1 A 25 25 LEU CB C 25 41.305 41.959 -0.654 1
1 251 . 17 1 1 A 25 25 LEU N N 25 116.850 114.729 2.121 1
1 252 . 17 1 1 A 26 26 GLY H H 26 7.808 7.896 -0.088 1
1 253 . 17 1 1 A 26 26 GLY HA2 H 26 4.313 3.729 0.584 1
1 254 . 17 1 1 A 26 26 GLY HA3 H 26 3.685 3.833 -0.148 1
1 255 . 17 1 1 A 26 26 GLY CA C 26 45.895 45.475 0.420 1
1 256 . 17 1 1 A 26 26 GLY N N 26 110.392 108.084 2.308 1
1 257 . 17 1 1 A 27 27 HIS H H 27 7.626 8.782 -1.156 1
1 258 . 17 1 1 A 27 27 HIS HA H 27 4.999 4.758 0.241 1
1 263 . 17 1 1 A 27 27 HIS CA C 27 53.604 54.216 -0.612 1
1 264 . 17 1 1 A 27 27 HIS CB C 27 28.333 30.466 -2.133 1
1 267 . 17 1 1 A 27 27 HIS N N 27 118.046 123.421 -5.375 1
1 268 . 17 1 1 A 28 28 PRO HA H 28 4.270 4.503 -0.233 1
1 275 . 17 1 1 A 28 28 PRO CA C 28 63.293 62.838 0.455 1
1 276 . 17 1 1 A 28 28 PRO CB C 28 31.916 29.711 2.205 1
1 279 . 17 1 1 A 29 29 ARG H H 29 8.464 8.347 0.117 1
1 280 . 17 1 1 A 29 29 ARG HA H 29 4.350 3.893 0.457 1
1 288 . 17 1 1 A 29 29 ARG CA C 29 58.043 56.919 1.124 1
1 289 . 17 1 1 A 29 29 ARG CB C 29 30.269 28.791 1.478 1
1 292 . 17 1 1 A 29 29 ARG N N 29 125.844 117.883 7.961 1
1 294 . 17 1 1 A 30 30 VAL H H 30 8.472 8.038 0.434 1
1 295 . 17 1 1 A 30 30 VAL HA H 30 4.540 5.038 -0.498 1
1 303 . 17 1 1 A 30 30 VAL CA C 30 59.500 59.462 0.038 1
1 304 . 17 1 1 A 30 30 VAL CB C 30 35.700 35.981 -0.281 1
1 307 . 17 1 1 A 30 30 VAL N N 30 125.322 118.848 6.474 1
1 308 . 17 1 1 A 31 31 TRP H H 31 8.648 8.956 -0.308 1
1 309 . 17 1 1 A 31 31 TRP HA H 31 4.864 5.542 -0.678 1
1 318 . 17 1 1 A 31 31 TRP CA C 31 56.885 54.845 2.040 1
1 319 . 17 1 1 A 31 31 TRP CB C 31 29.922 31.492 -1.570 1
1 325 . 17 1 1 A 31 31 TRP N N 31 125.162 124.465 0.697 1
1 327 . 17 1 1 A 32 32 LEU H H 32 9.634 9.148 0.486 1
1 328 . 17 1 1 A 32 32 LEU HA H 32 4.701 5.137 -0.436 1
1 338 . 17 1 1 A 32 32 LEU CA C 32 53.078 53.045 0.033 1
1 339 . 17 1 1 A 32 32 LEU CB C 32 44.467 44.863 -0.396 1
1 343 . 17 1 1 A 32 32 LEU N N 32 125.975 124.680 1.295 1
1 344 . 17 1 1 A 33 33 GLN H H 33 8.446 8.752 -0.306 1
1 345 . 17 1 1 A 33 33 GLN HA H 33 5.027 5.052 -0.025 1
1 352 . 17 1 1 A 33 33 GLN CA C 33 53.279 54.393 -1.114 1
1 353 . 17 1 1 A 33 33 GLN CB C 33 30.512 31.595 -1.083 1
1 355 . 17 1 1 A 33 33 GLN N N 33 121.000 121.675 -0.675 1
1 357 . 17 1 1 A 34 34 ILE H H 34 9.377 8.576 0.801 1
1 358 . 17 1 1 A 34 34 ILE HA H 34 3.900 4.328 -0.428 1
1 368 . 17 1 1 A 34 34 ILE CA C 34 60.335 59.861 0.474 1
1 369 . 17 1 1 A 34 34 ILE CB C 34 38.613 38.394 0.219 1
1 373 . 17 1 1 A 34 34 ILE N N 34 128.325 127.081 1.244 1
1 374 . 17 1 1 A 35 35 PRO HA H 35 4.471 4.728 -0.257 1
1 381 . 17 1 1 A 35 35 PRO CA C 35 62.744 62.402 0.342 1
1 382 . 17 1 1 A 35 35 PRO CB C 35 32.282 32.469 -0.187 1
1 385 . 17 1 1 A 36 36 GLU H H 36 8.971 8.658 0.313 1
1 386 . 17 1 1 A 36 36 GLU HA H 36 3.918 3.971 -0.053 1
1 391 . 17 1 1 A 36 36 GLU CA C 36 59.030 59.754 -0.724 1
1 392 . 17 1 1 A 36 36 GLU CB C 36 29.791 29.417 0.374 1
1 394 . 17 1 1 A 36 36 GLU N N 36 124.755 123.378 1.377 1
1 395 . 17 1 1 A 37 37 ASP H H 37 8.657 8.043 0.614 1
1 396 . 17 1 1 A 37 37 ASP HA H 37 4.421 4.333 0.088 1
1 399 . 17 1 1 A 37 37 ASP CA C 37 55.552 57.066 -1.514 1
1 400 . 17 1 1 A 37 37 ASP CB C 37 39.824 40.994 -1.170 1
1 401 . 17 1 1 A 37 37 ASP N N 37 114.541 120.004 -5.463 1
1 402 . 17 1 1 A 38 38 THR H H 38 7.498 7.754 -0.256 1
1 403 . 17 1 1 A 38 38 THR HA H 38 4.415 4.251 0.164 1
1 408 . 17 1 1 A 38 38 THR CA C 38 62.748 62.465 0.283 1
1 409 . 17 1 1 A 38 38 THR CB C 38 69.280 69.875 -0.595 1
1 411 . 17 1 1 A 38 38 THR N N 38 109.405 106.820 2.585 1
1 412 . 17 1 1 A 39 39 GLY H H 39 7.967 8.679 -0.712 1
1 413 . 17 1 1 A 39 39 GLY HA2 H 39 4.446 3.894 0.552 1
1 414 . 17 1 1 A 39 39 GLY HA3 H 39 3.619 3.953 -0.334 1
1 415 . 17 1 1 A 39 39 GLY CA C 39 46.428 45.390 1.038 1
1 416 . 17 1 1 A 39 39 GLY N N 39 108.005 110.776 -2.771 1
1 417 . 17 1 1 A 40 40 TRP H H 40 7.442 6.939 0.503 1
1 418 . 17 1 1 A 40 40 TRP HA H 40 5.960 5.702 0.258 1
1 427 . 17 1 1 A 40 40 TRP CA C 40 54.581 55.477 -0.896 1
1 428 . 17 1 1 A 40 40 TRP CB C 40 33.231 31.463 1.768 1
1 434 . 17 1 1 A 40 40 TRP N N 40 114.404 116.791 -2.387 1
1 436 . 17 1 1 A 41 41 VAL H H 41 9.317 9.040 0.277 1
1 437 . 17 1 1 A 41 41 VAL HA H 41 4.260 4.866 -0.606 1
1 445 . 17 1 1 A 41 41 VAL CA C 41 60.900 60.293 0.607 1
1 446 . 17 1 1 A 41 41 VAL CB C 41 36.400 35.902 0.498 1
1 449 . 17 1 1 A 41 41 VAL N N 41 119.203 121.046 -1.843 1
1 450 . 17 1 1 A 42 42 GLU H H 42 8.635 8.735 -0.100 1
1 451 . 17 1 1 A 42 42 GLU HA H 42 5.559 5.084 0.475 1
1 456 . 17 1 1 A 42 42 GLU CA C 42 53.676 55.842 -2.166 1
1 457 . 17 1 1 A 42 42 GLU CB C 42 32.534 31.396 1.138 1
1 459 . 17 1 1 A 42 42 GLU N N 42 125.457 126.412 -0.955 1
1 460 . 17 1 1 A 43 43 CYS H H 43 9.018 8.588 0.430 1
1 461 . 17 1 1 A 43 43 CYS HA H 43 4.710 4.942 -0.232 1
1 464 . 17 1 1 A 43 43 CYS CA C 43 56.955 57.046 -0.091 1
1 465 . 17 1 1 A 43 43 CYS CB C 43 31.650 28.989 2.661 1
1 466 . 17 1 1 A 43 43 CYS N N 43 127.165 121.502 5.663 1
1 467 . 17 1 1 A 44 44 PRO HA H 44 4.455 4.357 0.098 1
1 474 . 17 1 1 A 44 44 PRO CA C 44 64.002 63.607 0.395 1
1 475 . 17 1 1 A 44 44 PRO CB C 44 31.979 31.599 0.380 1
1 478 . 17 1 1 A 45 45 TYR H H 45 9.205 8.227 0.978 1
1 479 . 17 1 1 A 45 45 TYR HA H 45 4.477 4.699 -0.222 1
1 486 . 17 1 1 A 45 45 TYR CA C 45 59.357 59.257 0.100 1
1 487 . 17 1 1 A 45 45 TYR CB C 45 38.009 39.636 -1.627 1
1 492 . 17 1 1 A 45 45 TYR N N 45 120.751 118.192 2.559 1
1 493 . 17 1 1 A 46 46 CYS H H 46 8.097 8.506 -0.409 1
1 494 . 17 1 1 A 46 46 CYS HA H 46 5.092 4.779 0.313 1
1 497 . 17 1 1 A 46 46 CYS CA C 46 58.497 58.599 -0.102 1
1 498 . 17 1 1 A 46 46 CYS CB C 46 32.055 29.449 2.606 1
1 499 . 17 1 1 A 46 46 CYS N N 46 117.233 116.486 0.747 1
1 500 . 17 1 1 A 47 47 ASP H H 47 7.967 8.398 -0.431 1
1 501 . 17 1 1 A 47 47 ASP HA H 47 4.629 4.572 0.057 1
1 504 . 17 1 1 A 47 47 ASP CA C 47 56.076 55.811 0.265 1
1 505 . 17 1 1 A 47 47 ASP CB C 47 39.369 40.800 -1.431 1
1 506 . 17 1 1 A 47 47 ASP N N 47 118.439 120.153 -1.714 1
1 507 . 17 1 1 A 48 48 CYS H H 48 8.364 7.575 0.789 1
1 508 . 17 1 1 A 48 48 CYS HA H 48 4.175 4.622 -0.447 1
1 511 . 17 1 1 A 48 48 CYS CA C 48 61.629 58.117 3.512 1
1 512 . 17 1 1 A 48 48 CYS CB C 48 28.528 31.214 -2.686 1
1 513 . 17 1 1 A 48 48 CYS N N 48 121.540 113.728 7.812 1
1 514 . 17 1 1 A 49 49 LYS H H 49 8.542 8.791 -0.249 1
1 515 . 17 1 1 A 49 49 LYS HA H 49 4.956 4.761 0.195 1
1 524 . 17 1 1 A 49 49 LYS CA C 49 55.388 54.691 0.697 1
1 525 . 17 1 1 A 49 49 LYS CB C 49 34.179 33.682 0.497 1
1 529 . 17 1 1 A 49 49 LYS N N 49 129.258 122.846 6.412 1
1 530 . 17 1 1 A 50 50 TYR H H 50 9.320 9.382 -0.062 1
1 531 . 17 1 1 A 50 50 TYR HA H 50 5.264 4.919 0.345 1
1 538 . 17 1 1 A 50 50 TYR CA C 50 57.636 57.769 -0.133 1
1 539 . 17 1 1 A 50 50 TYR CB C 50 40.412 38.228 2.184 1
1 544 . 17 1 1 A 50 50 TYR N N 50 125.926 127.479 -1.553 1
1 545 . 17 1 1 A 51 51 VAL H H 51 8.925 9.171 -0.246 1
1 546 . 17 1 1 A 51 51 VAL HA H 51 4.824 4.752 0.072 1
1 554 . 17 1 1 A 51 51 VAL CA C 51 59.968 62.380 -2.412 1
1 555 . 17 1 1 A 51 51 VAL CB C 51 35.624 32.580 3.044 1
1 558 . 17 1 1 A 51 51 VAL N N 51 122.631 125.581 -2.950 1
1 559 . 17 1 1 A 52 52 LEU H H 52 8.771 8.924 -0.153 1
1 560 . 17 1 1 A 52 52 LEU HA H 52 4.496 4.831 -0.335 1
1 570 . 17 1 1 A 52 52 LEU CA C 52 54.163 55.112 -0.949 1
1 571 . 17 1 1 A 52 52 LEU CB C 52 43.220 43.066 0.154 1
1 575 . 17 1 1 A 52 52 LEU N N 52 127.249 130.387 -3.138 1
1 576 . 17 1 1 A 53 53 LYS H H 53 9.317 8.845 0.472 1
1 577 . 17 1 1 A 53 53 LYS HA H 53 4.028 3.920 0.108 1
1 586 . 17 1 1 A 53 53 LYS CA C 53 57.885 58.082 -0.197 1
1 587 . 17 1 1 A 53 53 LYS CB C 53 32.819 32.248 0.571 1
1 591 . 17 1 1 A 53 53 LYS N N 53 132.446 126.945 5.501 1
1 592 . 17 1 1 A 54 54 GLY H H 54 10.642 8.566 2.076 1
1 593 . 17 1 1 A 54 54 GLY HA2 H 54 4.195 3.926 0.269 1
1 594 . 17 1 1 A 54 54 GLY HA3 H 54 3.817 3.936 -0.119 1
1 595 . 17 1 1 A 54 54 GLY CA C 54 45.390 45.543 -0.153 1
1 596 . 17 1 1 A 54 54 GLY N N 54 117.440 115.323 2.117 1
1 597 . 17 1 1 A 55 55 SER H H 55 7.996 7.713 0.283 1
1 598 . 17 1 1 A 55 55 SER HA H 55 4.623 4.883 -0.260 1
1 601 . 17 1 1 A 55 55 SER CA C 55 58.553 57.129 1.424 1
1 602 . 17 1 1 A 55 55 SER CB C 55 66.037 65.972 0.065 1
1 603 . 17 1 1 A 55 55 SER N N 55 115.895 115.124 0.771 1
1 604 . 17 1 1 A 56 56 LYS H H 56 9.018 9.014 0.004 1
1 605 . 17 1 1 A 56 56 LYS HA H 56 4.115 4.062 0.053 1
1 614 . 17 1 1 A 56 56 LYS CA C 56 58.716 58.920 -0.204 1
1 615 . 17 1 1 A 56 56 LYS CB C 56 32.311 31.966 0.345 1
1 619 . 17 1 1 A 56 56 LYS N N 56 120.334 123.359 -3.025 1
1 620 . 17 1 1 A 57 57 ALA H H 57 7.590 7.731 -0.141 1
1 621 . 17 1 1 A 57 57 ALA HA H 57 4.318 4.249 0.069 1
1 625 . 17 1 1 A 57 57 ALA CA C 57 53.124 53.800 -0.676 1
1 626 . 17 1 1 A 57 57 ALA CB C 57 20.015 18.705 1.310 1
1 627 . 17 1 1 A 57 57 ALA N N 57 119.501 120.989 -1.488 1
1 628 . 17 1 1 A 58 58 ASP H H 58 7.588 7.880 -0.292 1
1 629 . 17 1 1 A 58 58 ASP HA H 58 4.441 4.612 -0.171 1
1 632 . 17 1 1 A 58 58 ASP CA C 58 54.193 53.477 0.716 1
1 633 . 17 1 1 A 58 58 ASP CB C 58 41.066 39.085 1.981 1
1 634 . 17 1 1 A 58 58 ASP N N 58 120.195 117.770 2.425 1
1 635 . 17 1 1 A 59 59 ALA H H 59 7.840 8.060 -0.220 1
1 636 . 17 1 1 A 59 59 ALA HA H 59 4.188 4.250 -0.062 1
1 640 . 17 1 1 A 59 59 ALA CA C 59 53.326 52.304 1.022 1
1 641 . 17 1 1 A 59 59 ALA CB C 59 19.094 21.286 -2.192 1
1 642 . 17 1 1 A 59 59 ALA N N 59 124.358 127.383 -3.025 1
1 643 . 17 1 1 A 60 60 LEU H H 60 8.078 7.612 0.466 1
1 644 . 17 1 1 A 60 60 LEU HA H 60 4.100 3.888 0.212 1
1 654 . 17 1 1 A 60 60 LEU CA C 60 56.210 58.088 -1.878 1
1 655 . 17 1 1 A 60 60 LEU CB C 60 41.973 41.727 0.246 1
1 659 . 17 1 1 A 60 60 LEU N N 60 119.688 118.453 1.235 1
1 660 . 17 1 1 A 61 61 GLU H H 61 8.042 7.855 0.187 1
1 661 . 17 1 1 A 61 61 GLU HA H 61 4.072 4.817 -0.745 1
1 666 . 17 1 1 A 61 61 GLU CA C 61 56.896 55.531 1.365 1
1 667 . 17 1 1 A 61 61 GLU CB C 61 29.776 30.247 -0.471 1
1 669 . 17 1 1 A 61 61 GLU N N 61 119.804 116.822 2.982 1
1 670 . 17 1 1 A 62 62 HIS H H 62 8.153 8.477 -0.324 1
1 671 . 17 1 1 A 62 62 HIS HA H 62 4.610 5.006 -0.396 1
1 674 . 17 1 1 A 62 62 HIS CA C 62 56.131 54.432 1.699 1
1 675 . 17 1 1 A 62 62 HIS CB C 62 29.250 32.027 -2.777 1
1 676 . 17 1 1 A 62 62 HIS N N 62 117.955 119.244 -1.289 1
1 677 . 17 1 1 A 63 63 HIS H H 63 8.324 8.445 -0.121 1
1 678 . 17 1 1 A 63 63 HIS HA H 63 4.520 4.812 -0.292 1
1 681 . 17 1 1 A 63 63 HIS CA C 63 57.194 53.518 3.676 1
1 682 . 17 1 1 A 63 63 HIS CB C 63 29.761 32.214 -2.453 1
1 1 . 18 1 1 A 2 2 THR HA H 2 3.902 4.704 -0.802 1
1 6 . 18 1 1 A 2 2 THR CA C 2 61.460 60.551 0.909 1
1 7 . 18 1 1 A 2 2 THR CB C 2 69.379 71.705 -2.326 1
1 9 . 18 1 1 A 3 3 ILE H H 3 8.671 8.577 0.094 1
1 10 . 18 1 1 A 3 3 ILE HA H 3 4.166 3.796 0.370 1
1 20 . 18 1 1 A 3 3 ILE CA C 3 61.569 62.977 -1.408 1
1 21 . 18 1 1 A 3 3 ILE CB C 3 38.770 38.572 0.198 1
1 25 . 18 1 1 A 3 3 ILE N N 3 124.520 118.352 6.168 1
1 26 . 18 1 1 A 4 4 GLN H H 4 8.477 7.792 0.685 1
1 27 . 18 1 1 A 4 4 GLN HA H 4 4.291 3.982 0.309 1
1 34 . 18 1 1 A 4 4 GLN CA C 4 55.615 57.469 -1.854 1
1 35 . 18 1 1 A 4 4 GLN CB C 4 29.590 26.899 2.691 1
1 37 . 18 1 1 A 4 4 GLN N N 4 124.855 116.706 8.149 1
1 39 . 18 1 1 A 5 5 ALA H H 5 8.334 7.625 0.709 1
1 40 . 18 1 1 A 5 5 ALA HA H 5 4.568 4.402 0.166 1
1 44 . 18 1 1 A 5 5 ALA CA C 5 50.464 50.119 0.345 1
1 45 . 18 1 1 A 5 5 ALA CB C 5 18.235 19.710 -1.475 1
1 46 . 18 1 1 A 5 5 ALA N N 5 127.159 122.923 4.236 1
1 47 . 18 1 1 A 6 6 PRO HA H 6 4.429 4.509 -0.080 1
1 53 . 18 1 1 A 6 6 PRO CA C 6 63.072 63.899 -0.827 1
1 54 . 18 1 1 A 6 6 PRO CB C 6 32.220 32.428 -0.208 1
1 57 . 18 1 1 A 7 7 GLU H H 7 8.363 8.455 -0.092 1
1 58 . 18 1 1 A 7 7 GLU HA H 7 4.280 4.298 -0.018 1
1 62 . 18 1 1 A 7 7 GLU CA C 7 56.298 55.980 0.318 1
1 63 . 18 1 1 A 7 7 GLU CB C 7 31.415 28.991 2.424 1
1 65 . 18 1 1 A 7 7 GLU N N 7 122.629 116.671 5.958 1
1 66 . 18 1 1 A 8 8 THR H H 8 8.219 7.591 0.628 1
1 67 . 18 1 1 A 8 8 THR HA H 8 4.948 4.481 0.467 1
1 72 . 18 1 1 A 8 8 THR CA C 8 62.157 62.545 -0.388 1
1 73 . 18 1 1 A 8 8 THR CB C 8 70.658 69.084 1.574 1
1 75 . 18 1 1 A 8 8 THR N N 8 119.082 116.933 2.149 1
1 76 . 18 1 1 A 9 9 LYS H H 9 8.885 9.303 -0.418 1
1 77 . 18 1 1 A 9 9 LYS HA H 9 4.513 4.815 -0.302 1
1 86 . 18 1 1 A 9 9 LYS CA C 9 55.062 54.953 0.109 1
1 87 . 18 1 1 A 9 9 LYS CB C 9 35.316 34.155 1.161 1
1 91 . 18 1 1 A 9 9 LYS N N 9 128.038 127.882 0.156 1
1 92 . 18 1 1 A 10 10 ILE H H 10 8.550 8.707 -0.157 1
1 93 . 18 1 1 A 10 10 ILE HA H 10 5.029 4.768 0.261 1
1 103 . 18 1 1 A 10 10 ILE CA C 10 59.908 60.555 -0.647 1
1 104 . 18 1 1 A 10 10 ILE CB C 10 37.184 36.988 0.196 1
1 108 . 18 1 1 A 10 10 ILE N N 10 124.813 129.113 -4.300 1
1 109 . 18 1 1 A 11 11 VAL H H 11 9.253 8.732 0.521 1
1 110 . 18 1 1 A 11 11 VAL HA H 11 4.970 4.837 0.133 1
1 118 . 18 1 1 A 11 11 VAL CA C 11 59.300 59.232 0.068 1
1 119 . 18 1 1 A 11 11 VAL CB C 11 35.700 34.730 0.970 1
1 122 . 18 1 1 A 11 11 VAL N N 11 121.581 125.989 -4.408 1
1 123 . 18 1 1 A 12 12 ASP H H 12 8.471 9.034 -0.563 1
1 124 . 18 1 1 A 12 12 ASP HA H 12 4.825 4.640 0.185 1
1 127 . 18 1 1 A 12 12 ASP CA C 12 53.836 55.631 -1.795 1
1 128 . 18 1 1 A 12 12 ASP CB C 12 41.671 42.382 -0.711 1
1 129 . 18 1 1 A 12 12 ASP N N 12 118.084 121.291 -3.207 1
1 130 . 18 1 1 A 13 13 LYS H H 13 7.170 7.830 -0.660 1
1 131 . 18 1 1 A 13 13 LYS HA H 13 4.679 4.719 -0.040 1
1 140 . 18 1 1 A 13 13 LYS CA C 13 54.180 54.819 -0.639 1
1 141 . 18 1 1 A 13 13 LYS CB C 13 35.890 34.992 0.898 1
1 145 . 18 1 1 A 13 13 LYS N N 13 117.300 117.956 -0.656 1
1 146 . 18 1 1 A 14 14 SER H H 14 8.254 8.916 -0.662 1
1 147 . 18 1 1 A 14 14 SER HA H 14 4.170 4.235 -0.065 1
1 150 . 18 1 1 A 14 14 SER CA C 14 60.024 61.222 -1.198 1
1 151 . 18 1 1 A 14 14 SER CB C 14 63.593 62.862 0.731 1
1 152 . 18 1 1 A 14 14 SER N N 14 111.308 118.548 -7.240 1
1 153 . 18 1 1 A 15 15 ARG H H 15 7.110 7.907 -0.797 1
1 154 . 18 1 1 A 15 15 ARG HA H 15 5.297 4.657 0.640 1
1 161 . 18 1 1 A 15 15 ARG CA C 15 55.163 56.009 -0.846 1
1 162 . 18 1 1 A 15 15 ARG CB C 15 31.260 31.291 -0.031 1
1 165 . 18 1 1 A 15 15 ARG N N 15 121.362 120.696 0.666 1
1 166 . 18 1 1 A 16 16 VAL H H 16 8.809 8.832 -0.023 1
1 167 . 18 1 1 A 16 16 VAL HA H 16 4.450 4.192 0.258 1
1 175 . 18 1 1 A 16 16 VAL CA C 16 59.600 61.388 -1.788 1
1 176 . 18 1 1 A 16 16 VAL CB C 16 35.800 31.922 3.878 1
1 179 . 18 1 1 A 16 16 VAL N N 16 124.300 125.735 -1.435 1
1 180 . 18 1 1 A 17 17 ALA H H 17 8.009 8.422 -0.413 1
1 181 . 18 1 1 A 17 17 ALA HA H 17 4.322 3.597 0.725 1
1 185 . 18 1 1 A 17 17 ALA CA C 17 49.691 50.755 -1.064 1
1 186 . 18 1 1 A 17 17 ALA CB C 17 17.652 18.138 -0.486 1
1 187 . 18 1 1 A 17 17 ALA N N 17 127.911 130.425 -2.514 1
1 188 . 18 1 1 A 18 18 CYS H H 18 8.814 8.680 0.134 1
1 189 . 18 1 1 A 18 18 CYS HA H 18 4.492 4.614 -0.122 1
1 192 . 18 1 1 A 18 18 CYS CA C 18 59.650 57.410 2.240 1
1 193 . 18 1 1 A 18 18 CYS CB C 18 31.882 28.222 3.660 1
1 194 . 18 1 1 A 18 18 CYS N N 18 123.363 123.909 -0.546 1
1 195 . 18 1 1 A 19 19 ASP H H 19 8.528 8.995 -0.467 1
1 196 . 18 1 1 A 19 19 ASP HA H 19 4.489 4.510 -0.021 1
1 199 . 18 1 1 A 19 19 ASP CA C 19 53.107 55.928 -2.821 1
1 200 . 18 1 1 A 19 19 ASP CB C 19 42.346 41.629 0.717 1
1 201 . 18 1 1 A 19 19 ASP N N 19 128.758 127.189 1.569 1
1 202 . 18 1 1 A 20 20 GLY H H 20 9.037 7.311 1.726 1
1 203 . 18 1 1 A 20 20 GLY HA2 H 20 4.079 3.816 0.263 1
1 204 . 18 1 1 A 20 20 GLY HA3 H 20 3.906 3.847 0.059 1
1 205 . 18 1 1 A 20 20 GLY CA C 20 45.894 45.334 0.560 1
1 206 . 18 1 1 A 20 20 GLY N N 20 115.047 103.151 11.896 1
1 207 . 18 1 1 A 21 21 GLY H H 21 7.336 8.538 -1.202 1
1 208 . 18 1 1 A 21 21 GLY HA2 H 21 4.246 3.997 0.249 1
1 209 . 18 1 1 A 21 21 GLY HA3 H 21 3.612 4.005 -0.393 1
1 210 . 18 1 1 A 21 21 GLY CA C 21 44.222 46.544 -2.322 1
1 211 . 18 1 1 A 21 21 GLY N N 21 109.000 109.417 -0.417 1
1 212 . 18 1 1 A 22 22 GLU H H 22 8.359 7.953 0.406 1
1 213 . 18 1 1 A 22 22 GLU HA H 22 4.192 4.575 -0.383 1
1 218 . 18 1 1 A 22 22 GLU CA C 22 56.200 54.659 1.541 1
1 219 . 18 1 1 A 22 22 GLU CB C 22 30.746 31.058 -0.312 1
1 221 . 18 1 1 A 22 22 GLU N N 22 118.322 118.213 0.109 1
1 222 . 18 1 1 A 23 23 GLY H H 23 8.809 8.535 0.274 1
1 223 . 18 1 1 A 23 23 GLY HA2 H 23 3.780 3.722 0.058 1
1 224 . 18 1 1 A 23 23 GLY HA3 H 23 3.835 3.734 0.101 1
1 225 . 18 1 1 A 23 23 GLY CA C 23 46.688 47.585 -0.897 1
1 226 . 18 1 1 A 23 23 GLY N N 23 111.934 110.731 1.203 1
1 227 . 18 1 1 A 24 24 ALA H H 24 8.995 7.937 1.058 1
1 228 . 18 1 1 A 24 24 ALA HA H 24 4.246 4.056 0.190 1
1 232 . 18 1 1 A 24 24 ALA CA C 24 53.645 54.508 -0.863 1
1 233 . 18 1 1 A 24 24 ALA CB C 24 18.641 18.361 0.280 1
1 234 . 18 1 1 A 24 24 ALA N N 24 129.183 124.879 4.304 1
1 235 . 18 1 1 A 25 25 LEU H H 25 7.780 7.774 0.006 1
1 236 . 18 1 1 A 25 25 LEU HA H 25 4.407 4.552 -0.145 1
1 246 . 18 1 1 A 25 25 LEU CA C 25 54.551 54.285 0.266 1
1 247 . 18 1 1 A 25 25 LEU CB C 25 41.305 41.780 -0.475 1
1 251 . 18 1 1 A 25 25 LEU N N 25 116.850 114.735 2.115 1
1 252 . 18 1 1 A 26 26 GLY H H 26 7.808 7.685 0.123 1
1 253 . 18 1 1 A 26 26 GLY HA2 H 26 4.313 3.728 0.585 1
1 254 . 18 1 1 A 26 26 GLY HA3 H 26 3.685 3.909 -0.224 1
1 255 . 18 1 1 A 26 26 GLY CA C 26 45.895 45.056 0.839 1
1 256 . 18 1 1 A 26 26 GLY N N 26 110.392 108.014 2.378 1
1 257 . 18 1 1 A 27 27 HIS H H 27 7.626 8.257 -0.631 1
1 258 . 18 1 1 A 27 27 HIS HA H 27 4.999 4.923 0.076 1
1 263 . 18 1 1 A 27 27 HIS CA C 27 53.604 54.123 -0.519 1
1 264 . 18 1 1 A 27 27 HIS CB C 27 28.333 30.698 -2.365 1
1 267 . 18 1 1 A 27 27 HIS N N 27 118.046 117.116 0.930 1
1 268 . 18 1 1 A 28 28 PRO HA H 28 4.270 4.285 -0.015 1
1 275 . 18 1 1 A 28 28 PRO CA C 28 63.293 65.442 -2.149 1
1 276 . 18 1 1 A 28 28 PRO CB C 28 31.916 31.650 0.266 1
1 279 . 18 1 1 A 29 29 ARG H H 29 8.464 7.751 0.713 1
1 280 . 18 1 1 A 29 29 ARG HA H 29 4.350 4.744 -0.394 1
1 288 . 18 1 1 A 29 29 ARG CA C 29 58.043 55.719 2.324 1
1 289 . 18 1 1 A 29 29 ARG CB C 29 30.269 31.547 -1.278 1
1 292 . 18 1 1 A 29 29 ARG N N 29 125.844 115.243 10.601 1
1 294 . 18 1 1 A 30 30 VAL H H 30 8.472 8.796 -0.324 1
1 295 . 18 1 1 A 30 30 VAL HA H 30 4.540 4.619 -0.079 1
1 303 . 18 1 1 A 30 30 VAL CA C 30 59.500 61.607 -2.107 1
1 304 . 18 1 1 A 30 30 VAL CB C 30 35.700 31.971 3.729 1
1 307 . 18 1 1 A 30 30 VAL N N 30 125.322 124.942 0.380 1
1 308 . 18 1 1 A 31 31 TRP H H 31 8.648 9.158 -0.510 1
1 309 . 18 1 1 A 31 31 TRP HA H 31 4.864 5.361 -0.497 1
1 318 . 18 1 1 A 31 31 TRP CA C 31 56.885 56.552 0.333 1
1 319 . 18 1 1 A 31 31 TRP CB C 31 29.922 30.373 -0.451 1
1 325 . 18 1 1 A 31 31 TRP N N 31 125.162 128.710 -3.548 1
1 327 . 18 1 1 A 32 32 LEU H H 32 9.634 9.015 0.619 1
1 328 . 18 1 1 A 32 32 LEU HA H 32 4.701 4.886 -0.185 1
1 338 . 18 1 1 A 32 32 LEU CA C 32 53.078 53.963 -0.885 1
1 339 . 18 1 1 A 32 32 LEU CB C 32 44.467 43.395 1.072 1
1 343 . 18 1 1 A 32 32 LEU N N 32 125.975 125.786 0.189 1
1 344 . 18 1 1 A 33 33 GLN H H 33 8.446 8.946 -0.500 1
1 345 . 18 1 1 A 33 33 GLN HA H 33 5.027 4.822 0.205 1
1 352 . 18 1 1 A 33 33 GLN CA C 33 53.279 54.574 -1.295 1
1 353 . 18 1 1 A 33 33 GLN CB C 33 30.512 30.145 0.367 1
1 355 . 18 1 1 A 33 33 GLN N N 33 121.000 123.513 -2.513 1
1 357 . 18 1 1 A 34 34 ILE H H 34 9.377 8.423 0.954 1
1 358 . 18 1 1 A 34 34 ILE HA H 34 3.900 4.164 -0.264 1
1 368 . 18 1 1 A 34 34 ILE CA C 34 60.335 60.182 0.153 1
1 369 . 18 1 1 A 34 34 ILE CB C 34 38.613 38.425 0.188 1
1 373 . 18 1 1 A 34 34 ILE N N 34 128.325 126.871 1.454 1
1 374 . 18 1 1 A 35 35 PRO HA H 35 4.471 4.760 -0.289 1
1 381 . 18 1 1 A 35 35 PRO CA C 35 62.744 62.500 0.244 1
1 382 . 18 1 1 A 35 35 PRO CB C 35 32.282 31.945 0.337 1
1 385 . 18 1 1 A 36 36 GLU H H 36 8.971 8.641 0.330 1
1 386 . 18 1 1 A 36 36 GLU HA H 36 3.918 3.957 -0.039 1
1 391 . 18 1 1 A 36 36 GLU CA C 36 59.030 58.919 0.111 1
1 392 . 18 1 1 A 36 36 GLU CB C 36 29.791 28.976 0.815 1
1 394 . 18 1 1 A 36 36 GLU N N 36 124.755 121.813 2.942 1
1 395 . 18 1 1 A 37 37 ASP H H 37 8.657 8.020 0.637 1
1 396 . 18 1 1 A 37 37 ASP HA H 37 4.421 4.394 0.027 1
1 399 . 18 1 1 A 37 37 ASP CA C 37 55.552 56.607 -1.055 1
1 400 . 18 1 1 A 37 37 ASP CB C 37 39.824 41.752 -1.928 1
1 401 . 18 1 1 A 37 37 ASP N N 37 114.541 121.006 -6.465 1
1 402 . 18 1 1 A 38 38 THR H H 38 7.498 7.507 -0.009 1
1 403 . 18 1 1 A 38 38 THR HA H 38 4.415 4.406 0.009 1
1 408 . 18 1 1 A 38 38 THR CA C 38 62.748 62.343 0.405 1
1 409 . 18 1 1 A 38 38 THR CB C 38 69.280 70.231 -0.951 1
1 411 . 18 1 1 A 38 38 THR N N 38 109.405 107.030 2.375 1
1 412 . 18 1 1 A 39 39 GLY H H 39 7.967 8.403 -0.436 1
1 413 . 18 1 1 A 39 39 GLY HA2 H 39 4.446 3.956 0.490 1
1 414 . 18 1 1 A 39 39 GLY HA3 H 39 3.619 4.011 -0.392 1
1 415 . 18 1 1 A 39 39 GLY CA C 39 46.428 45.211 1.217 1
1 416 . 18 1 1 A 39 39 GLY N N 39 108.005 110.716 -2.711 1
1 417 . 18 1 1 A 40 40 TRP H H 40 7.442 6.974 0.468 1
1 418 . 18 1 1 A 40 40 TRP HA H 40 5.960 5.599 0.361 1
1 427 . 18 1 1 A 40 40 TRP CA C 40 54.581 55.501 -0.920 1
1 428 . 18 1 1 A 40 40 TRP CB C 40 33.231 31.643 1.588 1
1 434 . 18 1 1 A 40 40 TRP N N 40 114.404 116.507 -2.103 1
1 436 . 18 1 1 A 41 41 VAL H H 41 9.317 9.097 0.220 1
1 437 . 18 1 1 A 41 41 VAL HA H 41 4.260 4.763 -0.503 1
1 445 . 18 1 1 A 41 41 VAL CA C 41 60.900 60.677 0.223 1
1 446 . 18 1 1 A 41 41 VAL CB C 41 36.400 35.490 0.910 1
1 449 . 18 1 1 A 41 41 VAL N N 41 119.203 120.961 -1.758 1
1 450 . 18 1 1 A 42 42 GLU H H 42 8.635 8.902 -0.267 1
1 451 . 18 1 1 A 42 42 GLU HA H 42 5.559 5.145 0.414 1
1 456 . 18 1 1 A 42 42 GLU CA C 42 53.676 55.646 -1.970 1
1 457 . 18 1 1 A 42 42 GLU CB C 42 32.534 31.545 0.989 1
1 459 . 18 1 1 A 42 42 GLU N N 42 125.457 126.990 -1.533 1
1 460 . 18 1 1 A 43 43 CYS H H 43 9.018 8.735 0.283 1
1 461 . 18 1 1 A 43 43 CYS HA H 43 4.710 4.847 -0.137 1
1 464 . 18 1 1 A 43 43 CYS CA C 43 56.955 55.799 1.156 1
1 465 . 18 1 1 A 43 43 CYS CB C 43 31.650 29.367 2.283 1
1 466 . 18 1 1 A 43 43 CYS N N 43 127.165 122.038 5.127 1
1 467 . 18 1 1 A 44 44 PRO HA H 44 4.455 4.221 0.234 1
1 474 . 18 1 1 A 44 44 PRO CA C 44 64.002 64.227 -0.225 1
1 475 . 18 1 1 A 44 44 PRO CB C 44 31.979 31.637 0.342 1
1 478 . 18 1 1 A 45 45 TYR H H 45 9.205 8.010 1.195 1
1 479 . 18 1 1 A 45 45 TYR HA H 45 4.477 4.746 -0.269 1
1 486 . 18 1 1 A 45 45 TYR CA C 45 59.357 58.098 1.259 1
1 487 . 18 1 1 A 45 45 TYR CB C 45 38.009 39.033 -1.024 1
1 492 . 18 1 1 A 45 45 TYR N N 45 120.751 114.908 5.843 1
1 493 . 18 1 1 A 46 46 CYS H H 46 8.097 8.003 0.094 1
1 494 . 18 1 1 A 46 46 CYS HA H 46 5.092 4.892 0.200 1
1 497 . 18 1 1 A 46 46 CYS CA C 46 58.497 58.506 -0.009 1
1 498 . 18 1 1 A 46 46 CYS CB C 46 32.055 29.156 2.899 1
1 499 . 18 1 1 A 46 46 CYS N N 46 117.233 119.491 -2.258 1
1 500 . 18 1 1 A 47 47 ASP H H 47 7.967 8.470 -0.503 1
1 501 . 18 1 1 A 47 47 ASP HA H 47 4.629 4.175 0.454 1
1 504 . 18 1 1 A 47 47 ASP CA C 47 56.076 56.087 -0.011 1
1 505 . 18 1 1 A 47 47 ASP CB C 47 39.369 38.499 0.870 1
1 506 . 18 1 1 A 47 47 ASP N N 47 118.439 118.884 -0.445 1
1 507 . 18 1 1 A 48 48 CYS H H 48 8.364 8.158 0.206 1
1 508 . 18 1 1 A 48 48 CYS HA H 48 4.175 4.249 -0.074 1
1 511 . 18 1 1 A 48 48 CYS CA C 48 61.629 59.648 1.981 1
1 512 . 18 1 1 A 48 48 CYS CB C 48 28.528 28.130 0.398 1
1 513 . 18 1 1 A 48 48 CYS N N 48 121.540 120.275 1.265 1
1 514 . 18 1 1 A 49 49 LYS H H 49 8.542 8.274 0.268 1
1 515 . 18 1 1 A 49 49 LYS HA H 49 4.956 4.675 0.281 1
1 524 . 18 1 1 A 49 49 LYS CA C 49 55.388 54.769 0.619 1
1 525 . 18 1 1 A 49 49 LYS CB C 49 34.179 34.567 -0.388 1
1 529 . 18 1 1 A 49 49 LYS N N 49 129.258 124.544 4.714 1
1 530 . 18 1 1 A 50 50 TYR H H 50 9.320 9.276 0.044 1
1 531 . 18 1 1 A 50 50 TYR HA H 50 5.264 5.367 -0.103 1
1 538 . 18 1 1 A 50 50 TYR CA C 50 57.636 57.253 0.383 1
1 539 . 18 1 1 A 50 50 TYR CB C 50 40.412 39.767 0.645 1
1 544 . 18 1 1 A 50 50 TYR N N 50 125.926 127.285 -1.359 1
1 545 . 18 1 1 A 51 51 VAL H H 51 8.925 9.430 -0.505 1
1 546 . 18 1 1 A 51 51 VAL HA H 51 4.824 4.742 0.082 1
1 554 . 18 1 1 A 51 51 VAL CA C 51 59.968 61.670 -1.702 1
1 555 . 18 1 1 A 51 51 VAL CB C 51 35.624 33.865 1.759 1
1 558 . 18 1 1 A 51 51 VAL N N 51 122.631 124.032 -1.401 1
1 559 . 18 1 1 A 52 52 LEU H H 52 8.771 8.642 0.129 1
1 560 . 18 1 1 A 52 52 LEU HA H 52 4.496 4.941 -0.445 1
1 570 . 18 1 1 A 52 52 LEU CA C 52 54.163 53.777 0.386 1
1 571 . 18 1 1 A 52 52 LEU CB C 52 43.220 44.084 -0.864 1
1 575 . 18 1 1 A 52 52 LEU N N 52 127.249 129.671 -2.422 1
1 576 . 18 1 1 A 53 53 LYS H H 53 9.317 9.020 0.297 1
1 577 . 18 1 1 A 53 53 LYS HA H 53 4.028 3.966 0.062 1
1 586 . 18 1 1 A 53 53 LYS CA C 53 57.885 58.325 -0.440 1
1 587 . 18 1 1 A 53 53 LYS CB C 53 32.819 32.005 0.814 1
1 591 . 18 1 1 A 53 53 LYS N N 53 132.446 126.820 5.626 1
1 592 . 18 1 1 A 54 54 GLY H H 54 10.642 9.045 1.597 1
1 593 . 18 1 1 A 54 54 GLY HA2 H 54 4.195 3.952 0.243 1
1 594 . 18 1 1 A 54 54 GLY HA3 H 54 3.817 3.957 -0.140 1
1 595 . 18 1 1 A 54 54 GLY CA C 54 45.390 45.258 0.132 1
1 596 . 18 1 1 A 54 54 GLY N N 54 117.440 115.341 2.099 1
1 597 . 18 1 1 A 55 55 SER H H 55 7.996 7.795 0.201 1
1 598 . 18 1 1 A 55 55 SER HA H 55 4.623 4.846 -0.223 1
1 601 . 18 1 1 A 55 55 SER CA C 55 58.553 56.405 2.148 1
1 602 . 18 1 1 A 55 55 SER CB C 55 66.037 65.543 0.494 1
1 603 . 18 1 1 A 55 55 SER N N 55 115.895 115.398 0.497 1
1 604 . 18 1 1 A 56 56 LYS H H 56 9.018 8.642 0.376 1
1 605 . 18 1 1 A 56 56 LYS HA H 56 4.115 4.049 0.066 1
1 614 . 18 1 1 A 56 56 LYS CA C 56 58.716 59.420 -0.704 1
1 615 . 18 1 1 A 56 56 LYS CB C 56 32.311 32.243 0.068 1
1 619 . 18 1 1 A 56 56 LYS N N 56 120.334 125.370 -5.036 1
1 620 . 18 1 1 A 57 57 ALA H H 57 7.590 7.584 0.006 1
1 621 . 18 1 1 A 57 57 ALA HA H 57 4.318 4.496 -0.178 1
1 625 . 18 1 1 A 57 57 ALA CA C 57 53.124 51.915 1.209 1
1 626 . 18 1 1 A 57 57 ALA CB C 57 20.015 19.355 0.660 1
1 627 . 18 1 1 A 57 57 ALA N N 57 119.501 119.009 0.492 1
1 628 . 18 1 1 A 58 58 ASP H H 58 7.588 8.053 -0.465 1
1 629 . 18 1 1 A 58 58 ASP HA H 58 4.441 4.940 -0.499 1
1 632 . 18 1 1 A 58 58 ASP CA C 58 54.193 52.734 1.459 1
1 633 . 18 1 1 A 58 58 ASP CB C 58 41.066 42.272 -1.206 1
1 634 . 18 1 1 A 58 58 ASP N N 58 120.195 120.030 0.165 1
1 635 . 18 1 1 A 59 59 ALA H H 59 7.840 8.566 -0.726 1
1 636 . 18 1 1 A 59 59 ALA HA H 59 4.188 4.031 0.157 1
1 640 . 18 1 1 A 59 59 ALA CA C 59 53.326 53.387 -0.061 1
1 641 . 18 1 1 A 59 59 ALA CB C 59 19.094 18.289 0.805 1
1 642 . 18 1 1 A 59 59 ALA N N 59 124.358 121.973 2.385 1
1 643 . 18 1 1 A 60 60 LEU H H 60 8.078 8.066 0.012 1
1 644 . 18 1 1 A 60 60 LEU HA H 60 4.100 4.415 -0.315 1
1 654 . 18 1 1 A 60 60 LEU CA C 60 56.210 54.871 1.339 1
1 655 . 18 1 1 A 60 60 LEU CB C 60 41.973 41.594 0.379 1
1 659 . 18 1 1 A 60 60 LEU N N 60 119.688 114.933 4.755 1
1 660 . 18 1 1 A 61 61 GLU H H 61 8.042 7.742 0.300 1
1 661 . 18 1 1 A 61 61 GLU HA H 61 4.072 4.345 -0.273 1
1 666 . 18 1 1 A 61 61 GLU CA C 61 56.896 55.881 1.015 1
1 667 . 18 1 1 A 61 61 GLU CB C 61 29.776 29.309 0.467 1
1 669 . 18 1 1 A 61 61 GLU N N 61 119.804 121.631 -1.827 1
1 670 . 18 1 1 A 62 62 HIS H H 62 8.153 8.436 -0.283 1
1 671 . 18 1 1 A 62 62 HIS HA H 62 4.610 4.642 -0.032 1
1 674 . 18 1 1 A 62 62 HIS CA C 62 56.131 57.510 -1.379 1
1 675 . 18 1 1 A 62 62 HIS CB C 62 29.250 31.663 -2.413 1
1 676 . 18 1 1 A 62 62 HIS N N 62 117.955 124.167 -6.212 1
1 677 . 18 1 1 A 63 63 HIS H H 63 8.324 7.789 0.535 1
1 678 . 18 1 1 A 63 63 HIS HA H 63 4.520 4.730 -0.210 1
1 681 . 18 1 1 A 63 63 HIS CA C 63 57.194 56.434 0.760 1
1 682 . 18 1 1 A 63 63 HIS CB C 63 29.761 32.462 -2.701 1
1 1 . 19 1 1 A 2 2 THR HA H 2 3.902 4.511 -0.609 1
1 6 . 19 1 1 A 2 2 THR CA C 2 61.460 61.865 -0.405 1
1 7 . 19 1 1 A 2 2 THR CB C 2 69.379 69.672 -0.293 1
1 9 . 19 1 1 A 3 3 ILE H H 3 8.671 8.025 0.646 1
1 10 . 19 1 1 A 3 3 ILE HA H 3 4.166 3.871 0.295 1
1 20 . 19 1 1 A 3 3 ILE CA C 3 61.569 62.020 -0.451 1
1 21 . 19 1 1 A 3 3 ILE CB C 3 38.770 35.602 3.168 1
1 25 . 19 1 1 A 3 3 ILE N N 3 124.520 120.291 4.229 1
1 26 . 19 1 1 A 4 4 GLN H H 4 8.477 7.935 0.542 1
1 27 . 19 1 1 A 4 4 GLN HA H 4 4.291 4.155 0.136 1
1 34 . 19 1 1 A 4 4 GLN CA C 4 55.615 56.848 -1.233 1
1 35 . 19 1 1 A 4 4 GLN CB C 4 29.590 28.711 0.879 1
1 37 . 19 1 1 A 4 4 GLN N N 4 124.855 121.746 3.109 1
1 39 . 19 1 1 A 5 5 ALA H H 5 8.334 8.632 -0.298 1
1 40 . 19 1 1 A 5 5 ALA HA H 5 4.568 4.403 0.165 1
1 44 . 19 1 1 A 5 5 ALA CA C 5 50.464 53.564 -3.100 1
1 45 . 19 1 1 A 5 5 ALA CB C 5 18.235 20.859 -2.624 1
1 46 . 19 1 1 A 5 5 ALA N N 5 127.159 126.344 0.815 1
1 47 . 19 1 1 A 6 6 PRO HA H 6 4.429 4.503 -0.074 1
1 53 . 19 1 1 A 6 6 PRO CA C 6 63.072 63.485 -0.413 1
1 54 . 19 1 1 A 6 6 PRO CB C 6 32.220 30.990 1.230 1
1 57 . 19 1 1 A 7 7 GLU H H 7 8.363 8.147 0.216 1
1 58 . 19 1 1 A 7 7 GLU HA H 7 4.280 4.445 -0.165 1
1 62 . 19 1 1 A 7 7 GLU CA C 7 56.298 56.295 0.003 1
1 63 . 19 1 1 A 7 7 GLU CB C 7 31.415 29.933 1.482 1
1 65 . 19 1 1 A 7 7 GLU N N 7 122.629 121.479 1.150 1
1 66 . 19 1 1 A 8 8 THR H H 8 8.219 7.485 0.734 1
1 67 . 19 1 1 A 8 8 THR HA H 8 4.948 5.027 -0.079 1
1 72 . 19 1 1 A 8 8 THR CA C 8 62.157 61.419 0.738 1
1 73 . 19 1 1 A 8 8 THR CB C 8 70.658 71.232 -0.574 1
1 75 . 19 1 1 A 8 8 THR N N 8 119.082 116.042 3.040 1
1 76 . 19 1 1 A 9 9 LYS H H 9 8.885 9.141 -0.256 1
1 77 . 19 1 1 A 9 9 LYS HA H 9 4.513 5.127 -0.614 1
1 86 . 19 1 1 A 9 9 LYS CA C 9 55.062 54.563 0.499 1
1 87 . 19 1 1 A 9 9 LYS CB C 9 35.316 36.699 -1.383 1
1 91 . 19 1 1 A 9 9 LYS N N 9 128.038 124.008 4.030 1
1 92 . 19 1 1 A 10 10 ILE H H 10 8.550 8.824 -0.274 1
1 93 . 19 1 1 A 10 10 ILE HA H 10 5.029 4.770 0.259 1
1 103 . 19 1 1 A 10 10 ILE CA C 10 59.908 59.860 0.048 1
1 104 . 19 1 1 A 10 10 ILE CB C 10 37.184 38.187 -1.003 1
1 108 . 19 1 1 A 10 10 ILE N N 10 124.813 123.880 0.933 1
1 109 . 19 1 1 A 11 11 VAL H H 11 9.253 9.182 0.071 1
1 110 . 19 1 1 A 11 11 VAL HA H 11 4.970 4.573 0.397 1
1 118 . 19 1 1 A 11 11 VAL CA C 11 59.300 60.794 -1.494 1
1 119 . 19 1 1 A 11 11 VAL CB C 11 35.700 33.672 2.028 1
1 122 . 19 1 1 A 11 11 VAL N N 11 121.581 127.861 -6.280 1
1 123 . 19 1 1 A 12 12 ASP H H 12 8.471 8.884 -0.413 1
1 124 . 19 1 1 A 12 12 ASP HA H 12 4.825 4.651 0.174 1
1 127 . 19 1 1 A 12 12 ASP CA C 12 53.836 54.154 -0.318 1
1 128 . 19 1 1 A 12 12 ASP CB C 12 41.671 41.101 0.570 1
1 129 . 19 1 1 A 12 12 ASP N N 12 118.084 121.922 -3.838 1
1 130 . 19 1 1 A 13 13 LYS H H 13 7.170 7.438 -0.268 1
1 131 . 19 1 1 A 13 13 LYS HA H 13 4.679 4.815 -0.136 1
1 140 . 19 1 1 A 13 13 LYS CA C 13 54.180 54.514 -0.334 1
1 141 . 19 1 1 A 13 13 LYS CB C 13 35.890 35.522 0.368 1
1 145 . 19 1 1 A 13 13 LYS N N 13 117.300 116.449 0.851 1
1 146 . 19 1 1 A 14 14 SER H H 14 8.254 8.708 -0.454 1
1 147 . 19 1 1 A 14 14 SER HA H 14 4.170 4.645 -0.475 1
1 150 . 19 1 1 A 14 14 SER CA C 14 60.024 58.635 1.389 1
1 151 . 19 1 1 A 14 14 SER CB C 14 63.593 63.732 -0.139 1
1 152 . 19 1 1 A 14 14 SER N N 14 111.308 114.586 -3.278 1
1 153 . 19 1 1 A 15 15 ARG H H 15 7.110 7.763 -0.653 1
1 154 . 19 1 1 A 15 15 ARG HA H 15 5.297 5.247 0.050 1
1 161 . 19 1 1 A 15 15 ARG CA C 15 55.163 54.602 0.561 1
1 162 . 19 1 1 A 15 15 ARG CB C 15 31.260 32.510 -1.250 1
1 165 . 19 1 1 A 15 15 ARG N N 15 121.362 119.521 1.841 1
1 166 . 19 1 1 A 16 16 VAL H H 16 8.809 8.935 -0.126 1
1 167 . 19 1 1 A 16 16 VAL HA H 16 4.450 4.560 -0.110 1
1 175 . 19 1 1 A 16 16 VAL CA C 16 59.600 59.791 -0.191 1
1 176 . 19 1 1 A 16 16 VAL CB C 16 35.800 35.290 0.510 1
1 179 . 19 1 1 A 16 16 VAL N N 16 124.300 123.885 0.415 1
1 180 . 19 1 1 A 17 17 ALA H H 17 8.009 8.169 -0.160 1
1 181 . 19 1 1 A 17 17 ALA HA H 17 4.322 4.612 -0.290 1
1 185 . 19 1 1 A 17 17 ALA CA C 17 49.691 50.870 -1.179 1
1 186 . 19 1 1 A 17 17 ALA CB C 17 17.652 19.489 -1.837 1
1 187 . 19 1 1 A 17 17 ALA N N 17 127.911 127.697 0.214 1
1 188 . 19 1 1 A 18 18 CYS H H 18 8.814 8.773 0.041 1
1 189 . 19 1 1 A 18 18 CYS HA H 18 4.492 4.719 -0.227 1
1 192 . 19 1 1 A 18 18 CYS CA C 18 59.650 57.247 2.403 1
1 193 . 19 1 1 A 18 18 CYS CB C 18 31.882 30.983 0.899 1
1 194 . 19 1 1 A 18 18 CYS N N 18 123.363 119.283 4.080 1
1 195 . 19 1 1 A 19 19 ASP H H 19 8.528 9.136 -0.608 1
1 196 . 19 1 1 A 19 19 ASP HA H 19 4.489 2.883 1.606 1
1 199 . 19 1 1 A 19 19 ASP CA C 19 53.107 54.400 -1.293 1
1 200 . 19 1 1 A 19 19 ASP CB C 19 42.346 39.260 3.086 1
1 201 . 19 1 1 A 19 19 ASP N N 19 128.758 123.942 4.816 1
1 202 . 19 1 1 A 20 20 GLY H H 20 9.037 7.855 1.182 1
1 203 . 19 1 1 A 20 20 GLY HA2 H 20 4.079 3.727 0.352 1
1 204 . 19 1 1 A 20 20 GLY HA3 H 20 3.906 4.037 -0.131 1
1 205 . 19 1 1 A 20 20 GLY CA C 20 45.894 45.403 0.491 1
1 206 . 19 1 1 A 20 20 GLY N N 20 115.047 109.701 5.346 1
1 207 . 19 1 1 A 21 21 GLY H H 21 7.336 8.502 -1.166 1
1 208 . 19 1 1 A 21 21 GLY HA2 H 21 4.246 4.135 0.111 1
1 209 . 19 1 1 A 21 21 GLY HA3 H 21 3.612 4.179 -0.567 1
1 210 . 19 1 1 A 21 21 GLY CA C 21 44.222 45.247 -1.025 1
1 211 . 19 1 1 A 21 21 GLY N N 21 109.000 107.133 1.867 1
1 212 . 19 1 1 A 22 22 GLU H H 22 8.359 7.953 0.406 1
1 213 . 19 1 1 A 22 22 GLU HA H 22 4.192 4.479 -0.287 1
1 218 . 19 1 1 A 22 22 GLU CA C 22 56.200 56.208 -0.008 1
1 219 . 19 1 1 A 22 22 GLU CB C 22 30.746 32.659 -1.913 1
1 221 . 19 1 1 A 22 22 GLU N N 22 118.322 119.125 -0.803 1
1 222 . 19 1 1 A 23 23 GLY H H 23 8.809 8.810 -0.001 1
1 223 . 19 1 1 A 23 23 GLY HA2 H 23 3.780 3.864 -0.084 1
1 224 . 19 1 1 A 23 23 GLY HA3 H 23 3.835 3.869 -0.034 1
1 225 . 19 1 1 A 23 23 GLY CA C 23 46.688 47.208 -0.520 1
1 226 . 19 1 1 A 23 23 GLY N N 23 111.934 114.981 -3.047 1
1 227 . 19 1 1 A 24 24 ALA H H 24 8.995 8.598 0.397 1
1 228 . 19 1 1 A 24 24 ALA HA H 24 4.246 4.332 -0.086 1
1 232 . 19 1 1 A 24 24 ALA CA C 24 53.645 51.953 1.692 1
1 233 . 19 1 1 A 24 24 ALA CB C 24 18.641 19.227 -0.586 1
1 234 . 19 1 1 A 24 24 ALA N N 24 129.183 129.071 0.112 1
1 235 . 19 1 1 A 25 25 LEU H H 25 7.780 8.407 -0.627 1
1 236 . 19 1 1 A 25 25 LEU HA H 25 4.407 3.758 0.649 1
1 246 . 19 1 1 A 25 25 LEU CA C 25 54.551 56.075 -1.524 1
1 247 . 19 1 1 A 25 25 LEU CB C 25 41.305 39.903 1.402 1
1 251 . 19 1 1 A 25 25 LEU N N 25 116.850 116.298 0.552 1
1 252 . 19 1 1 A 26 26 GLY H H 26 7.808 8.437 -0.629 1
1 253 . 19 1 1 A 26 26 GLY HA2 H 26 4.313 3.686 0.627 1
1 254 . 19 1 1 A 26 26 GLY HA3 H 26 3.685 3.773 -0.088 1
1 255 . 19 1 1 A 26 26 GLY CA C 26 45.895 46.634 -0.739 1
1 256 . 19 1 1 A 26 26 GLY N N 26 110.392 105.844 4.548 1
1 257 . 19 1 1 A 27 27 HIS H H 27 7.626 8.573 -0.947 1
1 258 . 19 1 1 A 27 27 HIS HA H 27 4.999 4.312 0.687 1
1 263 . 19 1 1 A 27 27 HIS CA C 27 53.604 56.004 -2.400 1
1 264 . 19 1 1 A 27 27 HIS CB C 27 28.333 28.020 0.313 1
1 267 . 19 1 1 A 27 27 HIS N N 27 118.046 118.909 -0.863 1
1 268 . 19 1 1 A 28 28 PRO HA H 28 4.270 4.394 -0.124 1
1 275 . 19 1 1 A 28 28 PRO CA C 28 63.293 65.003 -1.710 1
1 276 . 19 1 1 A 28 28 PRO CB C 28 31.916 31.890 0.026 1
1 279 . 19 1 1 A 29 29 ARG H H 29 8.464 7.543 0.921 1
1 280 . 19 1 1 A 29 29 ARG HA H 29 4.350 4.459 -0.109 1
1 288 . 19 1 1 A 29 29 ARG CA C 29 58.043 55.946 2.097 1
1 289 . 19 1 1 A 29 29 ARG CB C 29 30.269 31.193 -0.924 1
1 292 . 19 1 1 A 29 29 ARG N N 29 125.844 117.113 8.731 1
1 294 . 19 1 1 A 30 30 VAL H H 30 8.472 8.526 -0.054 1
1 295 . 19 1 1 A 30 30 VAL HA H 30 4.540 4.843 -0.303 1
1 303 . 19 1 1 A 30 30 VAL CA C 30 59.500 61.078 -1.578 1
1 304 . 19 1 1 A 30 30 VAL CB C 30 35.700 34.769 0.931 1
1 307 . 19 1 1 A 30 30 VAL N N 30 125.322 124.566 0.756 1
1 308 . 19 1 1 A 31 31 TRP H H 31 8.648 9.175 -0.527 1
1 309 . 19 1 1 A 31 31 TRP HA H 31 4.864 5.648 -0.784 1
1 318 . 19 1 1 A 31 31 TRP CA C 31 56.885 54.740 2.145 1
1 319 . 19 1 1 A 31 31 TRP CB C 31 29.922 32.585 -2.663 1
1 325 . 19 1 1 A 31 31 TRP N N 31 125.162 127.836 -2.674 1
1 327 . 19 1 1 A 32 32 LEU H H 32 9.634 9.335 0.299 1
1 328 . 19 1 1 A 32 32 LEU HA H 32 4.701 5.247 -0.546 1
1 338 . 19 1 1 A 32 32 LEU CA C 32 53.078 53.184 -0.106 1
1 339 . 19 1 1 A 32 32 LEU CB C 32 44.467 44.953 -0.486 1
1 343 . 19 1 1 A 32 32 LEU N N 32 125.975 124.115 1.860 1
1 344 . 19 1 1 A 33 33 GLN H H 33 8.446 8.908 -0.462 1
1 345 . 19 1 1 A 33 33 GLN HA H 33 5.027 5.260 -0.233 1
1 352 . 19 1 1 A 33 33 GLN CA C 33 53.279 54.493 -1.214 1
1 353 . 19 1 1 A 33 33 GLN CB C 33 30.512 31.268 -0.756 1
1 355 . 19 1 1 A 33 33 GLN N N 33 121.000 123.060 -2.060 1
1 357 . 19 1 1 A 34 34 ILE H H 34 9.377 8.940 0.437 1
1 358 . 19 1 1 A 34 34 ILE HA H 34 3.900 4.476 -0.576 1
1 368 . 19 1 1 A 34 34 ILE CA C 34 60.335 59.484 0.851 1
1 369 . 19 1 1 A 34 34 ILE CB C 34 38.613 38.472 0.141 1
1 373 . 19 1 1 A 34 34 ILE N N 34 128.325 127.182 1.143 1
1 374 . 19 1 1 A 35 35 PRO HA H 35 4.471 4.782 -0.311 1
1 381 . 19 1 1 A 35 35 PRO CA C 35 62.744 62.572 0.172 1
1 382 . 19 1 1 A 35 35 PRO CB C 35 32.282 32.053 0.229 1
1 385 . 19 1 1 A 36 36 GLU H H 36 8.971 8.572 0.399 1
1 386 . 19 1 1 A 36 36 GLU HA H 36 3.918 4.007 -0.089 1
1 391 . 19 1 1 A 36 36 GLU CA C 36 59.030 57.893 1.137 1
1 392 . 19 1 1 A 36 36 GLU CB C 36 29.791 28.934 0.857 1
1 394 . 19 1 1 A 36 36 GLU N N 36 124.755 121.417 3.338 1
1 395 . 19 1 1 A 37 37 ASP H H 37 8.657 8.189 0.468 1
1 396 . 19 1 1 A 37 37 ASP HA H 37 4.421 4.366 0.055 1
1 399 . 19 1 1 A 37 37 ASP CA C 37 55.552 57.636 -2.084 1
1 400 . 19 1 1 A 37 37 ASP CB C 37 39.824 41.287 -1.463 1
1 401 . 19 1 1 A 37 37 ASP N N 37 114.541 121.425 -6.884 1
1 402 . 19 1 1 A 38 38 THR H H 38 7.498 7.785 -0.287 1
1 403 . 19 1 1 A 38 38 THR HA H 38 4.415 4.212 0.203 1
1 408 . 19 1 1 A 38 38 THR CA C 38 62.748 62.620 0.128 1
1 409 . 19 1 1 A 38 38 THR CB C 38 69.280 69.808 -0.528 1
1 411 . 19 1 1 A 38 38 THR N N 38 109.405 108.254 1.151 1
1 412 . 19 1 1 A 39 39 GLY H H 39 7.967 8.777 -0.810 1
1 413 . 19 1 1 A 39 39 GLY HA2 H 39 4.446 3.916 0.530 1
1 414 . 19 1 1 A 39 39 GLY HA3 H 39 3.619 3.973 -0.354 1
1 415 . 19 1 1 A 39 39 GLY CA C 39 46.428 45.253 1.175 1
1 416 . 19 1 1 A 39 39 GLY N N 39 108.005 111.019 -3.014 1
1 417 . 19 1 1 A 40 40 TRP H H 40 7.442 6.946 0.496 1
1 418 . 19 1 1 A 40 40 TRP HA H 40 5.960 5.545 0.415 1
1 427 . 19 1 1 A 40 40 TRP CA C 40 54.581 55.659 -1.078 1
1 428 . 19 1 1 A 40 40 TRP CB C 40 33.231 31.443 1.788 1
1 434 . 19 1 1 A 40 40 TRP N N 40 114.404 116.777 -2.373 1
1 436 . 19 1 1 A 41 41 VAL H H 41 9.317 8.930 0.387 1
1 437 . 19 1 1 A 41 41 VAL HA H 41 4.260 4.941 -0.681 1
1 445 . 19 1 1 A 41 41 VAL CA C 41 60.900 60.526 0.374 1
1 446 . 19 1 1 A 41 41 VAL CB C 41 36.400 35.617 0.783 1
1 449 . 19 1 1 A 41 41 VAL N N 41 119.203 121.140 -1.937 1
1 450 . 19 1 1 A 42 42 GLU H H 42 8.635 9.244 -0.609 1
1 451 . 19 1 1 A 42 42 GLU HA H 42 5.559 5.382 0.177 1
1 456 . 19 1 1 A 42 42 GLU CA C 42 53.676 55.006 -1.330 1
1 457 . 19 1 1 A 42 42 GLU CB C 42 32.534 32.366 0.168 1
1 459 . 19 1 1 A 42 42 GLU N N 42 125.457 126.707 -1.250 1
1 460 . 19 1 1 A 43 43 CYS H H 43 9.018 8.787 0.231 1
1 461 . 19 1 1 A 43 43 CYS HA H 43 4.710 4.721 -0.011 1
1 464 . 19 1 1 A 43 43 CYS CA C 43 56.955 57.131 -0.176 1
1 465 . 19 1 1 A 43 43 CYS CB C 43 31.650 28.996 2.654 1
1 466 . 19 1 1 A 43 43 CYS N N 43 127.165 122.567 4.598 1
1 467 . 19 1 1 A 44 44 PRO HA H 44 4.455 4.351 0.104 1
1 474 . 19 1 1 A 44 44 PRO CA C 44 64.002 64.392 -0.390 1
1 475 . 19 1 1 A 44 44 PRO CB C 44 31.979 31.702 0.277 1
1 478 . 19 1 1 A 45 45 TYR H H 45 9.205 7.576 1.629 1
1 479 . 19 1 1 A 45 45 TYR HA H 45 4.477 4.382 0.095 1
1 486 . 19 1 1 A 45 45 TYR CA C 45 59.357 60.308 -0.951 1
1 487 . 19 1 1 A 45 45 TYR CB C 45 38.009 39.275 -1.266 1
1 492 . 19 1 1 A 45 45 TYR N N 45 120.751 115.993 4.758 1
1 493 . 19 1 1 A 46 46 CYS H H 46 8.097 7.898 0.199 1
1 494 . 19 1 1 A 46 46 CYS HA H 46 5.092 4.619 0.473 1
1 497 . 19 1 1 A 46 46 CYS CA C 46 58.497 58.818 -0.321 1
1 498 . 19 1 1 A 46 46 CYS CB C 46 32.055 27.967 4.088 1
1 499 . 19 1 1 A 46 46 CYS N N 46 117.233 117.806 -0.573 1
1 500 . 19 1 1 A 47 47 ASP H H 47 7.967 8.345 -0.378 1
1 501 . 19 1 1 A 47 47 ASP HA H 47 4.629 4.349 0.280 1
1 504 . 19 1 1 A 47 47 ASP CA C 47 56.076 55.609 0.467 1
1 505 . 19 1 1 A 47 47 ASP CB C 47 39.369 39.512 -0.143 1
1 506 . 19 1 1 A 47 47 ASP N N 47 118.439 118.497 -0.058 1
1 507 . 19 1 1 A 48 48 CYS H H 48 8.364 7.827 0.537 1
1 508 . 19 1 1 A 48 48 CYS HA H 48 4.175 4.384 -0.209 1
1 511 . 19 1 1 A 48 48 CYS CA C 48 61.629 59.035 2.594 1
1 512 . 19 1 1 A 48 48 CYS CB C 48 28.528 27.642 0.886 1
1 513 . 19 1 1 A 48 48 CYS N N 48 121.540 117.448 4.092 1
1 514 . 19 1 1 A 49 49 LYS H H 49 8.542 8.708 -0.166 1
1 515 . 19 1 1 A 49 49 LYS HA H 49 4.956 4.647 0.309 1
1 524 . 19 1 1 A 49 49 LYS CA C 49 55.388 55.164 0.224 1
1 525 . 19 1 1 A 49 49 LYS CB C 49 34.179 33.343 0.836 1
1 529 . 19 1 1 A 49 49 LYS N N 49 129.258 126.077 3.181 1
1 530 . 19 1 1 A 50 50 TYR H H 50 9.320 9.175 0.145 1
1 531 . 19 1 1 A 50 50 TYR HA H 50 5.264 5.176 0.088 1
1 538 . 19 1 1 A 50 50 TYR CA C 50 57.636 57.066 0.570 1
1 539 . 19 1 1 A 50 50 TYR CB C 50 40.412 38.465 1.947 1
1 544 . 19 1 1 A 50 50 TYR N N 50 125.926 127.776 -1.850 1
1 545 . 19 1 1 A 51 51 VAL H H 51 8.925 9.244 -0.319 1
1 546 . 19 1 1 A 51 51 VAL HA H 51 4.824 4.662 0.162 1
1 554 . 19 1 1 A 51 51 VAL CA C 51 59.968 62.462 -2.494 1
1 555 . 19 1 1 A 51 51 VAL CB C 51 35.624 32.535 3.089 1
1 558 . 19 1 1 A 51 51 VAL N N 51 122.631 124.998 -2.367 1
1 559 . 19 1 1 A 52 52 LEU H H 52 8.771 8.817 -0.046 1
1 560 . 19 1 1 A 52 52 LEU HA H 52 4.496 4.883 -0.387 1
1 570 . 19 1 1 A 52 52 LEU CA C 52 54.163 53.964 0.199 1
1 571 . 19 1 1 A 52 52 LEU CB C 52 43.220 43.753 -0.533 1
1 575 . 19 1 1 A 52 52 LEU N N 52 127.249 129.628 -2.379 1
1 576 . 19 1 1 A 53 53 LYS H H 53 9.317 9.058 0.259 1
1 577 . 19 1 1 A 53 53 LYS HA H 53 4.028 4.030 -0.002 1
1 586 . 19 1 1 A 53 53 LYS CA C 53 57.885 58.144 -0.259 1
1 587 . 19 1 1 A 53 53 LYS CB C 53 32.819 32.138 0.681 1
1 591 . 19 1 1 A 53 53 LYS N N 53 132.446 127.747 4.699 1
1 592 . 19 1 1 A 54 54 GLY H H 54 10.642 8.880 1.762 1
1 593 . 19 1 1 A 54 54 GLY HA2 H 54 4.195 4.034 0.161 1
1 594 . 19 1 1 A 54 54 GLY HA3 H 54 3.817 4.039 -0.222 1
1 595 . 19 1 1 A 54 54 GLY CA C 54 45.390 46.483 -1.093 1
1 596 . 19 1 1 A 54 54 GLY N N 54 117.440 114.929 2.511 1
1 597 . 19 1 1 A 55 55 SER H H 55 7.996 7.614 0.382 1
1 598 . 19 1 1 A 55 55 SER HA H 55 4.623 4.846 -0.223 1
1 601 . 19 1 1 A 55 55 SER CA C 55 58.553 56.935 1.618 1
1 602 . 19 1 1 A 55 55 SER CB C 55 66.037 65.858 0.179 1
1 603 . 19 1 1 A 55 55 SER N N 55 115.895 111.533 4.362 1
1 604 . 19 1 1 A 56 56 LYS H H 56 9.018 8.636 0.382 1
1 605 . 19 1 1 A 56 56 LYS HA H 56 4.115 4.032 0.083 1
1 614 . 19 1 1 A 56 56 LYS CA C 56 58.716 58.505 0.211 1
1 615 . 19 1 1 A 56 56 LYS CB C 56 32.311 32.403 -0.092 1
1 619 . 19 1 1 A 56 56 LYS N N 56 120.334 121.395 -1.061 1
1 620 . 19 1 1 A 57 57 ALA H H 57 7.590 7.445 0.145 1
1 621 . 19 1 1 A 57 57 ALA HA H 57 4.318 4.569 -0.251 1
1 625 . 19 1 1 A 57 57 ALA CA C 57 53.124 51.853 1.271 1
1 626 . 19 1 1 A 57 57 ALA CB C 57 20.015 19.787 0.228 1
1 627 . 19 1 1 A 57 57 ALA N N 57 119.501 119.465 0.036 1
1 628 . 19 1 1 A 58 58 ASP H H 58 7.588 7.868 -0.280 1
1 629 . 19 1 1 A 58 58 ASP HA H 58 4.441 4.989 -0.548 1
1 632 . 19 1 1 A 58 58 ASP CA C 58 54.193 52.690 1.503 1
1 633 . 19 1 1 A 58 58 ASP CB C 58 41.066 44.130 -3.064 1
1 634 . 19 1 1 A 58 58 ASP N N 58 120.195 119.607 0.588 1
1 635 . 19 1 1 A 59 59 ALA H H 59 7.840 8.512 -0.672 1
1 636 . 19 1 1 A 59 59 ALA HA H 59 4.188 3.955 0.233 1
1 640 . 19 1 1 A 59 59 ALA CA C 59 53.326 52.698 0.628 1
1 641 . 19 1 1 A 59 59 ALA CB C 59 19.094 17.664 1.430 1
1 642 . 19 1 1 A 59 59 ALA N N 59 124.358 122.029 2.329 1
1 643 . 19 1 1 A 60 60 LEU H H 60 8.078 8.319 -0.241 1
1 644 . 19 1 1 A 60 60 LEU HA H 60 4.100 4.432 -0.332 1
1 654 . 19 1 1 A 60 60 LEU CA C 60 56.210 54.014 2.196 1
1 655 . 19 1 1 A 60 60 LEU CB C 60 41.973 39.865 2.108 1
1 659 . 19 1 1 A 60 60 LEU N N 60 119.688 120.019 -0.331 1
1 660 . 19 1 1 A 61 61 GLU H H 61 8.042 8.221 -0.179 1
1 661 . 19 1 1 A 61 61 GLU HA H 61 4.072 4.226 -0.154 1
1 666 . 19 1 1 A 61 61 GLU CA C 61 56.896 58.727 -1.831 1
1 667 . 19 1 1 A 61 61 GLU CB C 61 29.776 29.251 0.525 1
1 669 . 19 1 1 A 61 61 GLU N N 61 119.804 124.399 -4.595 1
1 670 . 19 1 1 A 62 62 HIS H H 62 8.153 7.647 0.506 1
1 671 . 19 1 1 A 62 62 HIS HA H 62 4.610 4.738 -0.128 1
1 674 . 19 1 1 A 62 62 HIS CA C 62 56.131 56.043 0.088 1
1 675 . 19 1 1 A 62 62 HIS CB C 62 29.250 30.580 -1.330 1
1 676 . 19 1 1 A 62 62 HIS N N 62 117.955 114.688 3.267 1
1 677 . 19 1 1 A 63 63 HIS H H 63 8.324 7.586 0.738 1
1 678 . 19 1 1 A 63 63 HIS HA H 63 4.520 4.781 -0.261 1
1 681 . 19 1 1 A 63 63 HIS CA C 63 57.194 54.284 2.910 1
1 682 . 19 1 1 A 63 63 HIS CB C 63 29.761 32.457 -2.696 1
1 1 . 20 1 1 A 2 2 THR HA H 2 3.902 4.241 -0.339 1
1 6 . 20 1 1 A 2 2 THR CA C 2 61.460 61.986 -0.526 1
1 7 . 20 1 1 A 2 2 THR CB C 2 69.379 69.960 -0.581 1
1 9 . 20 1 1 A 3 3 ILE H H 3 8.671 8.480 0.191 1
1 10 . 20 1 1 A 3 3 ILE HA H 3 4.166 4.548 -0.382 1
1 20 . 20 1 1 A 3 3 ILE CA C 3 61.569 60.599 0.970 1
1 21 . 20 1 1 A 3 3 ILE CB C 3 38.770 38.077 0.693 1
1 25 . 20 1 1 A 3 3 ILE N N 3 124.520 120.282 4.238 1
1 26 . 20 1 1 A 4 4 GLN H H 4 8.477 8.054 0.423 1
1 27 . 20 1 1 A 4 4 GLN HA H 4 4.291 3.908 0.383 1
1 34 . 20 1 1 A 4 4 GLN CA C 4 55.615 58.664 -3.049 1
1 35 . 20 1 1 A 4 4 GLN CB C 4 29.590 27.071 2.519 1
1 37 . 20 1 1 A 4 4 GLN N N 4 124.855 116.195 8.660 1
1 39 . 20 1 1 A 5 5 ALA H H 5 8.334 8.359 -0.025 1
1 40 . 20 1 1 A 5 5 ALA HA H 5 4.568 3.927 0.641 1
1 44 . 20 1 1 A 5 5 ALA CA C 5 50.464 52.672 -2.208 1
1 45 . 20 1 1 A 5 5 ALA CB C 5 18.235 17.249 0.986 1
1 46 . 20 1 1 A 5 5 ALA N N 5 127.159 119.742 7.417 1
1 47 . 20 1 1 A 6 6 PRO HA H 6 4.429 4.435 -0.006 1
1 53 . 20 1 1 A 6 6 PRO CA C 6 63.072 62.355 0.717 1
1 54 . 20 1 1 A 6 6 PRO CB C 6 32.220 30.135 2.085 1
1 57 . 20 1 1 A 7 7 GLU H H 7 8.363 8.129 0.234 1
1 58 . 20 1 1 A 7 7 GLU HA H 7 4.280 4.173 0.107 1
1 62 . 20 1 1 A 7 7 GLU CA C 7 56.298 57.182 -0.884 1
1 63 . 20 1 1 A 7 7 GLU CB C 7 31.415 30.195 1.220 1
1 65 . 20 1 1 A 7 7 GLU N N 7 122.629 122.931 -0.302 1
1 66 . 20 1 1 A 8 8 THR H H 8 8.219 9.043 -0.824 1
1 67 . 20 1 1 A 8 8 THR HA H 8 4.948 4.754 0.194 1
1 72 . 20 1 1 A 8 8 THR CA C 8 62.157 62.142 0.015 1
1 73 . 20 1 1 A 8 8 THR CB C 8 70.658 69.415 1.243 1
1 75 . 20 1 1 A 8 8 THR N N 8 119.082 122.135 -3.053 1
1 76 . 20 1 1 A 9 9 LYS H H 9 8.885 9.369 -0.484 1
1 77 . 20 1 1 A 9 9 LYS HA H 9 4.513 4.664 -0.151 1
1 86 . 20 1 1 A 9 9 LYS CA C 9 55.062 55.183 -0.121 1
1 87 . 20 1 1 A 9 9 LYS CB C 9 35.316 32.314 3.002 1
1 91 . 20 1 1 A 9 9 LYS N N 9 128.038 127.081 0.957 1
1 92 . 20 1 1 A 10 10 ILE H H 10 8.550 8.560 -0.010 1
1 93 . 20 1 1 A 10 10 ILE HA H 10 5.029 4.919 0.110 1
1 103 . 20 1 1 A 10 10 ILE CA C 10 59.908 61.063 -1.155 1
1 104 . 20 1 1 A 10 10 ILE CB C 10 37.184 37.044 0.140 1
1 108 . 20 1 1 A 10 10 ILE N N 10 124.813 125.589 -0.776 1
1 109 . 20 1 1 A 11 11 VAL H H 11 9.253 8.769 0.484 1
1 110 . 20 1 1 A 11 11 VAL HA H 11 4.970 4.849 0.121 1
1 118 . 20 1 1 A 11 11 VAL CA C 11 59.300 59.364 -0.064 1
1 119 . 20 1 1 A 11 11 VAL CB C 11 35.700 34.498 1.202 1
1 122 . 20 1 1 A 11 11 VAL N N 11 121.581 125.567 -3.986 1
1 123 . 20 1 1 A 12 12 ASP H H 12 8.471 8.667 -0.196 1
1 124 . 20 1 1 A 12 12 ASP HA H 12 4.825 4.794 0.031 1
1 127 . 20 1 1 A 12 12 ASP CA C 12 53.836 54.556 -0.720 1
1 128 . 20 1 1 A 12 12 ASP CB C 12 41.671 41.322 0.349 1
1 129 . 20 1 1 A 12 12 ASP N N 12 118.084 120.383 -2.299 1
1 130 . 20 1 1 A 13 13 LYS H H 13 7.170 7.624 -0.454 1
1 131 . 20 1 1 A 13 13 LYS HA H 13 4.679 4.819 -0.140 1
1 140 . 20 1 1 A 13 13 LYS CA C 13 54.180 54.794 -0.614 1
1 141 . 20 1 1 A 13 13 LYS CB C 13 35.890 35.282 0.608 1
1 145 . 20 1 1 A 13 13 LYS N N 13 117.300 118.854 -1.554 1
1 146 . 20 1 1 A 14 14 SER H H 14 8.254 8.656 -0.402 1
1 147 . 20 1 1 A 14 14 SER HA H 14 4.170 4.582 -0.412 1
1 150 . 20 1 1 A 14 14 SER CA C 14 60.024 59.444 0.580 1
1 151 . 20 1 1 A 14 14 SER CB C 14 63.593 64.625 -1.032 1
1 152 . 20 1 1 A 14 14 SER N N 14 111.308 115.892 -4.584 1
1 153 . 20 1 1 A 15 15 ARG H H 15 7.110 7.897 -0.787 1
1 154 . 20 1 1 A 15 15 ARG HA H 15 5.297 5.340 -0.043 1
1 161 . 20 1 1 A 15 15 ARG CA C 15 55.163 54.760 0.403 1
1 162 . 20 1 1 A 15 15 ARG CB C 15 31.260 32.097 -0.837 1
1 165 . 20 1 1 A 15 15 ARG N N 15 121.362 119.812 1.550 1
1 166 . 20 1 1 A 16 16 VAL H H 16 8.809 8.798 0.011 1
1 167 . 20 1 1 A 16 16 VAL HA H 16 4.450 4.411 0.039 1
1 175 . 20 1 1 A 16 16 VAL CA C 16 59.600 60.404 -0.804 1
1 176 . 20 1 1 A 16 16 VAL CB C 16 35.800 34.809 0.991 1
1 179 . 20 1 1 A 16 16 VAL N N 16 124.300 124.203 0.097 1
1 180 . 20 1 1 A 17 17 ALA H H 17 8.009 7.927 0.082 1
1 181 . 20 1 1 A 17 17 ALA HA H 17 4.322 3.901 0.421 1
1 185 . 20 1 1 A 17 17 ALA CA C 17 49.691 50.821 -1.130 1
1 186 . 20 1 1 A 17 17 ALA CB C 17 17.652 17.795 -0.143 1
1 187 . 20 1 1 A 17 17 ALA N N 17 127.911 128.452 -0.541 1
1 188 . 20 1 1 A 18 18 CYS H H 18 8.814 8.971 -0.157 1
1 189 . 20 1 1 A 18 18 CYS HA H 18 4.492 4.557 -0.065 1
1 192 . 20 1 1 A 18 18 CYS CA C 18 59.650 58.581 1.069 1
1 193 . 20 1 1 A 18 18 CYS CB C 18 31.882 29.154 2.728 1
1 194 . 20 1 1 A 18 18 CYS N N 18 123.363 123.324 0.039 1
1 195 . 20 1 1 A 19 19 ASP H H 19 8.528 8.530 -0.002 1
1 196 . 20 1 1 A 19 19 ASP HA H 19 4.489 4.587 -0.098 1
1 199 . 20 1 1 A 19 19 ASP CA C 19 53.107 53.005 0.102 1
1 200 . 20 1 1 A 19 19 ASP CB C 19 42.346 41.015 1.331 1
1 201 . 20 1 1 A 19 19 ASP N N 19 128.758 122.658 6.100 1
1 202 . 20 1 1 A 20 20 GLY H H 20 9.037 7.549 1.488 1
1 203 . 20 1 1 A 20 20 GLY HA2 H 20 4.079 3.831 0.248 1
1 204 . 20 1 1 A 20 20 GLY HA3 H 20 3.906 3.907 -0.001 1
1 205 . 20 1 1 A 20 20 GLY CA C 20 45.894 44.265 1.629 1
1 206 . 20 1 1 A 20 20 GLY N N 20 115.047 108.442 6.605 1
1 207 . 20 1 1 A 21 21 GLY H H 21 7.336 7.983 -0.647 1
1 208 . 20 1 1 A 21 21 GLY HA2 H 21 4.246 3.898 0.348 1
1 209 . 20 1 1 A 21 21 GLY HA3 H 21 3.612 3.997 -0.385 1
1 210 . 20 1 1 A 21 21 GLY CA C 21 44.222 45.311 -1.089 1
1 211 . 20 1 1 A 21 21 GLY N N 21 109.000 110.415 -1.415 1
1 212 . 20 1 1 A 22 22 GLU H H 22 8.359 7.526 0.833 1
1 213 . 20 1 1 A 22 22 GLU HA H 22 4.192 4.790 -0.598 1
1 218 . 20 1 1 A 22 22 GLU CA C 22 56.200 55.805 0.395 1
1 219 . 20 1 1 A 22 22 GLU CB C 22 30.746 33.259 -2.513 1
1 221 . 20 1 1 A 22 22 GLU N N 22 118.322 117.702 0.620 1
1 222 . 20 1 1 A 23 23 GLY H H 23 8.809 9.181 -0.372 1
1 223 . 20 1 1 A 23 23 GLY HA2 H 23 3.780 3.860 -0.080 1
1 224 . 20 1 1 A 23 23 GLY HA3 H 23 3.835 3.880 -0.045 1
1 225 . 20 1 1 A 23 23 GLY CA C 23 46.688 47.570 -0.882 1
1 226 . 20 1 1 A 23 23 GLY N N 23 111.934 112.993 -1.059 1
1 227 . 20 1 1 A 24 24 ALA H H 24 8.995 7.929 1.066 1
1 228 . 20 1 1 A 24 24 ALA HA H 24 4.246 4.356 -0.110 1
1 232 . 20 1 1 A 24 24 ALA CA C 24 53.645 52.764 0.881 1
1 233 . 20 1 1 A 24 24 ALA CB C 24 18.641 19.594 -0.953 1
1 234 . 20 1 1 A 24 24 ALA N N 24 129.183 124.474 4.709 1
1 235 . 20 1 1 A 25 25 LEU H H 25 7.780 7.499 0.281 1
1 236 . 20 1 1 A 25 25 LEU HA H 25 4.407 4.610 -0.203 1
1 246 . 20 1 1 A 25 25 LEU CA C 25 54.551 53.900 0.651 1
1 247 . 20 1 1 A 25 25 LEU CB C 25 41.305 42.085 -0.780 1
1 251 . 20 1 1 A 25 25 LEU N N 25 116.850 116.237 0.613 1
1 252 . 20 1 1 A 26 26 GLY H H 26 7.808 8.309 -0.501 1
1 253 . 20 1 1 A 26 26 GLY HA2 H 26 4.313 3.865 0.448 1
1 254 . 20 1 1 A 26 26 GLY HA3 H 26 3.685 3.919 -0.234 1
1 255 . 20 1 1 A 26 26 GLY CA C 26 45.895 46.313 -0.418 1
1 256 . 20 1 1 A 26 26 GLY N N 26 110.392 109.008 1.384 1
1 257 . 20 1 1 A 27 27 HIS H H 27 7.626 8.340 -0.714 1
1 258 . 20 1 1 A 27 27 HIS HA H 27 4.999 4.369 0.630 1
1 263 . 20 1 1 A 27 27 HIS CA C 27 53.604 56.206 -2.602 1
1 264 . 20 1 1 A 27 27 HIS CB C 27 28.333 27.532 0.801 1
1 267 . 20 1 1 A 27 27 HIS N N 27 118.046 118.132 -0.086 1
1 268 . 20 1 1 A 28 28 PRO HA H 28 4.270 4.561 -0.291 1
1 275 . 20 1 1 A 28 28 PRO CA C 28 63.293 63.800 -0.507 1
1 276 . 20 1 1 A 28 28 PRO CB C 28 31.916 33.042 -1.126 1
1 279 . 20 1 1 A 29 29 ARG H H 29 8.464 7.947 0.517 1
1 280 . 20 1 1 A 29 29 ARG HA H 29 4.350 3.957 0.393 1
1 288 . 20 1 1 A 29 29 ARG CA C 29 58.043 56.563 1.480 1
1 289 . 20 1 1 A 29 29 ARG CB C 29 30.269 29.065 1.204 1
1 292 . 20 1 1 A 29 29 ARG N N 29 125.844 115.401 10.443 1
1 294 . 20 1 1 A 30 30 VAL H H 30 8.472 7.380 1.092 1
1 295 . 20 1 1 A 30 30 VAL HA H 30 4.540 5.028 -0.488 1
1 303 . 20 1 1 A 30 30 VAL CA C 30 59.500 60.308 -0.808 1
1 304 . 20 1 1 A 30 30 VAL CB C 30 35.700 34.520 1.180 1
1 307 . 20 1 1 A 30 30 VAL N N 30 125.322 115.838 9.484 1
1 308 . 20 1 1 A 31 31 TRP H H 31 8.648 8.941 -0.293 1
1 309 . 20 1 1 A 31 31 TRP HA H 31 4.864 5.446 -0.582 1
1 318 . 20 1 1 A 31 31 TRP CA C 31 56.885 55.862 1.023 1
1 319 . 20 1 1 A 31 31 TRP CB C 31 29.922 30.608 -0.686 1
1 325 . 20 1 1 A 31 31 TRP N N 31 125.162 126.556 -1.394 1
1 327 . 20 1 1 A 32 32 LEU H H 32 9.634 8.904 0.730 1
1 328 . 20 1 1 A 32 32 LEU HA H 32 4.701 4.828 -0.127 1
1 338 . 20 1 1 A 32 32 LEU CA C 32 53.078 53.475 -0.397 1
1 339 . 20 1 1 A 32 32 LEU CB C 32 44.467 43.175 1.292 1
1 343 . 20 1 1 A 32 32 LEU N N 32 125.975 125.275 0.700 1
1 344 . 20 1 1 A 33 33 GLN H H 33 8.446 8.620 -0.174 1
1 345 . 20 1 1 A 33 33 GLN HA H 33 5.027 5.106 -0.079 1
1 352 . 20 1 1 A 33 33 GLN CA C 33 53.279 54.398 -1.119 1
1 353 . 20 1 1 A 33 33 GLN CB C 33 30.512 31.612 -1.100 1
1 355 . 20 1 1 A 33 33 GLN N N 33 121.000 122.204 -1.204 1
1 357 . 20 1 1 A 34 34 ILE H H 34 9.377 9.123 0.254 1
1 358 . 20 1 1 A 34 34 ILE HA H 34 3.900 4.561 -0.661 1
1 368 . 20 1 1 A 34 34 ILE CA C 34 60.335 58.296 2.039 1
1 369 . 20 1 1 A 34 34 ILE CB C 34 38.613 38.390 0.223 1
1 373 . 20 1 1 A 34 34 ILE N N 34 128.325 127.159 1.166 1
1 374 . 20 1 1 A 35 35 PRO HA H 35 4.471 4.763 -0.292 1
1 381 . 20 1 1 A 35 35 PRO CA C 35 62.744 62.261 0.483 1
1 382 . 20 1 1 A 35 35 PRO CB C 35 32.282 32.650 -0.368 1
1 385 . 20 1 1 A 36 36 GLU H H 36 8.971 8.685 0.286 1
1 386 . 20 1 1 A 36 36 GLU HA H 36 3.918 4.132 -0.214 1
1 391 . 20 1 1 A 36 36 GLU CA C 36 59.030 58.957 0.073 1
1 392 . 20 1 1 A 36 36 GLU CB C 36 29.791 29.275 0.516 1
1 394 . 20 1 1 A 36 36 GLU N N 36 124.755 122.748 2.007 1
1 395 . 20 1 1 A 37 37 ASP H H 37 8.657 8.155 0.502 1
1 396 . 20 1 1 A 37 37 ASP HA H 37 4.421 4.378 0.043 1
1 399 . 20 1 1 A 37 37 ASP CA C 37 55.552 57.705 -2.153 1
1 400 . 20 1 1 A 37 37 ASP CB C 37 39.824 41.413 -1.589 1
1 401 . 20 1 1 A 37 37 ASP N N 37 114.541 121.081 -6.540 1
1 402 . 20 1 1 A 38 38 THR H H 38 7.498 7.829 -0.331 1
1 403 . 20 1 1 A 38 38 THR HA H 38 4.415 4.389 0.026 1
1 408 . 20 1 1 A 38 38 THR CA C 38 62.748 62.542 0.206 1
1 409 . 20 1 1 A 38 38 THR CB C 38 69.280 70.041 -0.761 1
1 411 . 20 1 1 A 38 38 THR N N 38 109.405 109.390 0.015 1
1 412 . 20 1 1 A 39 39 GLY H H 39 7.967 8.822 -0.855 1
1 413 . 20 1 1 A 39 39 GLY HA2 H 39 4.446 3.939 0.507 1
1 414 . 20 1 1 A 39 39 GLY HA3 H 39 3.619 4.018 -0.399 1
1 415 . 20 1 1 A 39 39 GLY CA C 39 46.428 45.400 1.028 1
1 416 . 20 1 1 A 39 39 GLY N N 39 108.005 110.866 -2.861 1
1 417 . 20 1 1 A 40 40 TRP H H 40 7.442 6.930 0.512 1
1 418 . 20 1 1 A 40 40 TRP HA H 40 5.960 5.505 0.455 1
1 427 . 20 1 1 A 40 40 TRP CA C 40 54.581 55.410 -0.829 1
1 428 . 20 1 1 A 40 40 TRP CB C 40 33.231 31.547 1.684 1
1 434 . 20 1 1 A 40 40 TRP N N 40 114.404 116.778 -2.374 1
1 436 . 20 1 1 A 41 41 VAL H H 41 9.317 8.904 0.413 1
1 437 . 20 1 1 A 41 41 VAL HA H 41 4.260 4.771 -0.511 1
1 445 . 20 1 1 A 41 41 VAL CA C 41 60.900 60.307 0.593 1
1 446 . 20 1 1 A 41 41 VAL CB C 41 36.400 35.865 0.535 1
1 449 . 20 1 1 A 41 41 VAL N N 41 119.203 120.782 -1.579 1
1 450 . 20 1 1 A 42 42 GLU H H 42 8.635 8.954 -0.319 1
1 451 . 20 1 1 A 42 42 GLU HA H 42 5.559 5.367 0.192 1
1 456 . 20 1 1 A 42 42 GLU CA C 42 53.676 54.683 -1.007 1
1 457 . 20 1 1 A 42 42 GLU CB C 42 32.534 33.667 -1.133 1
1 459 . 20 1 1 A 42 42 GLU N N 42 125.457 125.164 0.293 1
1 460 . 20 1 1 A 43 43 CYS H H 43 9.018 8.926 0.092 1
1 461 . 20 1 1 A 43 43 CYS HA H 43 4.710 5.019 -0.309 1
1 464 . 20 1 1 A 43 43 CYS CA C 43 56.955 55.840 1.115 1
1 465 . 20 1 1 A 43 43 CYS CB C 43 31.650 29.416 2.234 1
1 466 . 20 1 1 A 43 43 CYS N N 43 127.165 121.946 5.219 1
1 467 . 20 1 1 A 44 44 PRO HA H 44 4.455 4.407 0.048 1
1 474 . 20 1 1 A 44 44 PRO CA C 44 64.002 63.628 0.374 1
1 475 . 20 1 1 A 44 44 PRO CB C 44 31.979 31.875 0.104 1
1 478 . 20 1 1 A 45 45 TYR H H 45 9.205 7.968 1.237 1
1 479 . 20 1 1 A 45 45 TYR HA H 45 4.477 4.401 0.076 1
1 486 . 20 1 1 A 45 45 TYR CA C 45 59.357 60.659 -1.302 1
1 487 . 20 1 1 A 45 45 TYR CB C 45 38.009 39.035 -1.026 1
1 492 . 20 1 1 A 45 45 TYR N N 45 120.751 116.613 4.138 1
1 493 . 20 1 1 A 46 46 CYS H H 46 8.097 7.450 0.647 1
1 494 . 20 1 1 A 46 46 CYS HA H 46 5.092 4.684 0.408 1
1 497 . 20 1 1 A 46 46 CYS CA C 46 58.497 58.549 -0.052 1
1 498 . 20 1 1 A 46 46 CYS CB C 46 32.055 27.731 4.324 1
1 499 . 20 1 1 A 46 46 CYS N N 46 117.233 117.323 -0.090 1
1 500 . 20 1 1 A 47 47 ASP H H 47 7.967 7.777 0.190 1
1 501 . 20 1 1 A 47 47 ASP HA H 47 4.629 4.764 -0.135 1
1 504 . 20 1 1 A 47 47 ASP CA C 47 56.076 54.893 1.183 1
1 505 . 20 1 1 A 47 47 ASP CB C 47 39.369 39.665 -0.296 1
1 506 . 20 1 1 A 47 47 ASP N N 47 118.439 118.566 -0.127 1
1 507 . 20 1 1 A 48 48 CYS H H 48 8.364 8.150 0.214 1
1 508 . 20 1 1 A 48 48 CYS HA H 48 4.175 4.967 -0.792 1
1 511 . 20 1 1 A 48 48 CYS CA C 48 61.629 58.699 2.930 1
1 512 . 20 1 1 A 48 48 CYS CB C 48 28.528 30.694 -2.166 1
1 513 . 20 1 1 A 48 48 CYS N N 48 121.540 121.609 -0.069 1
1 514 . 20 1 1 A 49 49 LYS H H 49 8.542 8.757 -0.215 1
1 515 . 20 1 1 A 49 49 LYS HA H 49 4.956 4.946 0.010 1
1 524 . 20 1 1 A 49 49 LYS CA C 49 55.388 54.757 0.631 1
1 525 . 20 1 1 A 49 49 LYS CB C 49 34.179 33.852 0.327 1
1 529 . 20 1 1 A 49 49 LYS N N 49 129.258 126.500 2.758 1
1 530 . 20 1 1 A 50 50 TYR H H 50 9.320 9.669 -0.349 1
1 531 . 20 1 1 A 50 50 TYR HA H 50 5.264 5.068 0.196 1
1 538 . 20 1 1 A 50 50 TYR CA C 50 57.636 57.148 0.488 1
1 539 . 20 1 1 A 50 50 TYR CB C 50 40.412 38.893 1.519 1
1 544 . 20 1 1 A 50 50 TYR N N 50 125.926 127.737 -1.811 1
1 545 . 20 1 1 A 51 51 VAL H H 51 8.925 9.064 -0.139 1
1 546 . 20 1 1 A 51 51 VAL HA H 51 4.824 4.722 0.102 1
1 554 . 20 1 1 A 51 51 VAL CA C 51 59.968 61.628 -1.660 1
1 555 . 20 1 1 A 51 51 VAL CB C 51 35.624 33.378 2.246 1
1 558 . 20 1 1 A 51 51 VAL N N 51 122.631 124.862 -2.231 1
1 559 . 20 1 1 A 52 52 LEU H H 52 8.771 8.693 0.078 1
1 560 . 20 1 1 A 52 52 LEU HA H 52 4.496 4.826 -0.330 1
1 570 . 20 1 1 A 52 52 LEU CA C 52 54.163 54.649 -0.486 1
1 571 . 20 1 1 A 52 52 LEU CB C 52 43.220 43.119 0.101 1
1 575 . 20 1 1 A 52 52 LEU N N 52 127.249 130.107 -2.858 1
1 576 . 20 1 1 A 53 53 LYS H H 53 9.317 8.979 0.338 1
1 577 . 20 1 1 A 53 53 LYS HA H 53 4.028 4.084 -0.056 1
1 586 . 20 1 1 A 53 53 LYS CA C 53 57.885 58.014 -0.129 1
1 587 . 20 1 1 A 53 53 LYS CB C 53 32.819 32.084 0.735 1
1 591 . 20 1 1 A 53 53 LYS N N 53 132.446 126.987 5.459 1
1 592 . 20 1 1 A 54 54 GLY H H 54 10.642 8.909 1.733 1
1 593 . 20 1 1 A 54 54 GLY HA2 H 54 4.195 4.107 0.088 1
1 594 . 20 1 1 A 54 54 GLY HA3 H 54 3.817 4.176 -0.359 1
1 595 . 20 1 1 A 54 54 GLY CA C 54 45.390 45.100 0.290 1
1 596 . 20 1 1 A 54 54 GLY N N 54 117.440 115.414 2.026 1
1 597 . 20 1 1 A 55 55 SER H H 55 7.996 7.820 0.176 1
1 598 . 20 1 1 A 55 55 SER HA H 55 4.623 4.580 0.043 1
1 601 . 20 1 1 A 55 55 SER CA C 55 58.553 58.090 0.463 1
1 602 . 20 1 1 A 55 55 SER CB C 55 66.037 65.477 0.560 1
1 603 . 20 1 1 A 55 55 SER N N 55 115.895 115.565 0.330 1
1 604 . 20 1 1 A 56 56 LYS H H 56 9.018 8.868 0.150 1
1 605 . 20 1 1 A 56 56 LYS HA H 56 4.115 4.242 -0.127 1
1 614 . 20 1 1 A 56 56 LYS CA C 56 58.716 58.761 -0.045 1
1 615 . 20 1 1 A 56 56 LYS CB C 56 32.311 32.030 0.281 1
1 619 . 20 1 1 A 56 56 LYS N N 56 120.334 120.037 0.297 1
1 620 . 20 1 1 A 57 57 ALA H H 57 7.590 7.748 -0.158 1
1 621 . 20 1 1 A 57 57 ALA HA H 57 4.318 4.161 0.157 1
1 625 . 20 1 1 A 57 57 ALA CA C 57 53.124 55.455 -2.331 1
1 626 . 20 1 1 A 57 57 ALA CB C 57 20.015 18.362 1.653 1
1 627 . 20 1 1 A 57 57 ALA N N 57 119.501 122.742 -3.241 1
1 628 . 20 1 1 A 58 58 ASP H H 58 7.588 8.424 -0.836 1
1 629 . 20 1 1 A 58 58 ASP HA H 58 4.441 4.364 0.077 1
1 632 . 20 1 1 A 58 58 ASP CA C 58 54.193 56.870 -2.677 1
1 633 . 20 1 1 A 58 58 ASP CB C 58 41.066 40.812 0.254 1
1 634 . 20 1 1 A 58 58 ASP N N 58 120.195 118.447 1.748 1
1 635 . 20 1 1 A 59 59 ALA H H 59 7.840 7.428 0.412 1
1 636 . 20 1 1 A 59 59 ALA HA H 59 4.188 4.079 0.109 1
1 640 . 20 1 1 A 59 59 ALA CA C 59 53.326 55.048 -1.722 1
1 641 . 20 1 1 A 59 59 ALA CB C 59 19.094 19.155 -0.061 1
1 642 . 20 1 1 A 59 59 ALA N N 59 124.358 121.744 2.614 1
1 643 . 20 1 1 A 60 60 LEU H H 60 8.078 7.962 0.116 1
1 644 . 20 1 1 A 60 60 LEU HA H 60 4.100 3.966 0.134 1
1 654 . 20 1 1 A 60 60 LEU CA C 60 56.210 57.094 -0.884 1
1 655 . 20 1 1 A 60 60 LEU CB C 60 41.973 39.941 2.032 1
1 659 . 20 1 1 A 60 60 LEU N N 60 119.688 114.488 5.200 1
1 660 . 20 1 1 A 61 61 GLU H H 61 8.042 8.427 -0.385 1
1 661 . 20 1 1 A 61 61 GLU HA H 61 4.072 4.397 -0.325 1
1 666 . 20 1 1 A 61 61 GLU CA C 61 56.896 56.086 0.810 1
1 667 . 20 1 1 A 61 61 GLU CB C 61 29.776 29.441 0.335 1
1 669 . 20 1 1 A 61 61 GLU N N 61 119.804 118.166 1.638 1
1 670 . 20 1 1 A 62 62 HIS H H 62 8.153 8.323 -0.170 1
1 671 . 20 1 1 A 62 62 HIS HA H 62 4.610 4.319 0.291 1
1 674 . 20 1 1 A 62 62 HIS CA C 62 56.131 56.799 -0.668 1
1 675 . 20 1 1 A 62 62 HIS CB C 62 29.250 27.399 1.851 1
1 676 . 20 1 1 A 62 62 HIS N N 62 117.955 117.076 0.879 1
1 677 . 20 1 1 A 63 63 HIS H H 63 8.324 8.539 -0.215 1
1 678 . 20 1 1 A 63 63 HIS HA H 63 4.520 4.456 0.064 1
1 681 . 20 1 1 A 63 63 HIS CA C 63 57.194 57.467 -0.273 1
1 682 . 20 1 1 A 63 63 HIS CB C 63 29.761 29.478 0.283 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 62 1.222 1
3 1 1 1 "RMS(OBS, PRED)" CB 56 1.424 1
4 1 1 1 "RMS(OBS, PRED)" H 57 0.623 1
5 1 1 1 "RMS(OBS, PRED)" HA 68 0.350 1
6 1 1 1 "RMS(OBS, PRED)" N 56 3.765 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 62 1.386 1
9 1 2 1 "RMS(OBS, PRED)" CB 56 1.449 1
10 1 2 1 "RMS(OBS, PRED)" H 57 0.598 1
11 1 2 1 "RMS(OBS, PRED)" HA 68 0.330 1
12 1 2 1 "RMS(OBS, PRED)" N 56 3.915 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 62 1.351 1
15 1 3 1 "RMS(OBS, PRED)" CB 56 1.520 1
16 1 3 1 "RMS(OBS, PRED)" H 57 0.617 1
17 1 3 1 "RMS(OBS, PRED)" HA 68 0.306 1
18 1 3 1 "RMS(OBS, PRED)" N 56 4.285 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 62 1.308 1
21 1 4 1 "RMS(OBS, PRED)" CB 56 1.683 1
22 1 4 1 "RMS(OBS, PRED)" H 57 0.613 1
23 1 4 1 "RMS(OBS, PRED)" HA 68 0.298 1
24 1 4 1 "RMS(OBS, PRED)" N 56 4.326 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 62 1.231 1
27 1 5 1 "RMS(OBS, PRED)" CB 56 1.349 1
28 1 5 1 "RMS(OBS, PRED)" H 57 0.543 1
29 1 5 1 "RMS(OBS, PRED)" HA 68 0.364 1
30 1 5 1 "RMS(OBS, PRED)" N 56 3.681 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 62 1.429 1
33 1 6 1 "RMS(OBS, PRED)" CB 56 1.298 1
34 1 6 1 "RMS(OBS, PRED)" H 57 0.611 1
35 1 6 1 "RMS(OBS, PRED)" HA 68 0.308 1
36 1 6 1 "RMS(OBS, PRED)" N 56 3.328 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 62 1.268 1
39 1 7 1 "RMS(OBS, PRED)" CB 56 1.674 1
40 1 7 1 "RMS(OBS, PRED)" H 57 0.586 1
41 1 7 1 "RMS(OBS, PRED)" HA 68 0.294 1
42 1 7 1 "RMS(OBS, PRED)" N 56 3.319 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 62 1.198 1
45 1 8 1 "RMS(OBS, PRED)" CB 56 1.568 1
46 1 8 1 "RMS(OBS, PRED)" H 57 0.560 1
47 1 8 1 "RMS(OBS, PRED)" HA 68 0.292 1
48 1 8 1 "RMS(OBS, PRED)" N 56 3.695 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 62 1.174 1
51 1 9 1 "RMS(OBS, PRED)" CB 56 1.725 1
52 1 9 1 "RMS(OBS, PRED)" H 57 0.617 1
53 1 9 1 "RMS(OBS, PRED)" HA 68 0.288 1
54 1 9 1 "RMS(OBS, PRED)" N 56 3.867 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 62 1.238 1
57 1 10 1 "RMS(OBS, PRED)" CB 56 1.725 1
58 1 10 1 "RMS(OBS, PRED)" H 57 0.590 1
59 1 10 1 "RMS(OBS, PRED)" HA 68 0.295 1
60 1 10 1 "RMS(OBS, PRED)" N 56 3.356 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 62 1.312 1
63 1 11 1 "RMS(OBS, PRED)" CB 56 1.478 1
64 1 11 1 "RMS(OBS, PRED)" H 57 0.515 1
65 1 11 1 "RMS(OBS, PRED)" HA 68 0.376 1
66 1 11 1 "RMS(OBS, PRED)" N 56 3.297 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 62 1.271 1
69 1 12 1 "RMS(OBS, PRED)" CB 56 1.695 1
70 1 12 1 "RMS(OBS, PRED)" H 57 0.547 1
71 1 12 1 "RMS(OBS, PRED)" HA 68 0.305 1
72 1 12 1 "RMS(OBS, PRED)" N 56 3.535 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 62 1.451 1
75 1 13 1 "RMS(OBS, PRED)" CB 56 1.529 1
76 1 13 1 "RMS(OBS, PRED)" H 57 0.632 1
77 1 13 1 "RMS(OBS, PRED)" HA 68 0.325 1
78 1 13 1 "RMS(OBS, PRED)" N 56 3.485 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 62 1.327 1
81 1 14 1 "RMS(OBS, PRED)" CB 56 1.618 1
82 1 14 1 "RMS(OBS, PRED)" H 57 0.575 1
83 1 14 1 "RMS(OBS, PRED)" HA 68 0.298 1
84 1 14 1 "RMS(OBS, PRED)" N 56 3.937 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 62 1.303 1
87 1 15 1 "RMS(OBS, PRED)" CB 56 1.627 1
88 1 15 1 "RMS(OBS, PRED)" H 57 0.579 1
89 1 15 1 "RMS(OBS, PRED)" HA 68 0.346 1
90 1 15 1 "RMS(OBS, PRED)" N 56 3.854 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 62 1.261 1
93 1 16 1 "RMS(OBS, PRED)" CB 56 1.561 1
94 1 16 1 "RMS(OBS, PRED)" H 57 0.594 1
95 1 16 1 "RMS(OBS, PRED)" HA 68 0.300 1
96 1 16 1 "RMS(OBS, PRED)" N 56 3.812 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 62 1.209 1
99 1 17 1 "RMS(OBS, PRED)" CB 56 1.625 1
100 1 17 1 "RMS(OBS, PRED)" H 57 0.590 1
101 1 17 1 "RMS(OBS, PRED)" HA 68 0.319 1
102 1 17 1 "RMS(OBS, PRED)" N 56 3.871 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 62 1.220 1
105 1 18 1 "RMS(OBS, PRED)" CB 56 1.517 1
106 1 18 1 "RMS(OBS, PRED)" H 57 0.596 1
107 1 18 1 "RMS(OBS, PRED)" HA 68 0.296 1
108 1 18 1 "RMS(OBS, PRED)" N 56 4.014 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 62 1.315 1
111 1 19 1 "RMS(OBS, PRED)" CB 56 1.560 1
112 1 19 1 "RMS(OBS, PRED)" H 57 0.587 1
113 1 19 1 "RMS(OBS, PRED)" HA 68 0.381 1
114 1 19 1 "RMS(OBS, PRED)" N 56 3.229 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 62 1.199 1
117 1 20 1 "RMS(OBS, PRED)" CB 56 1.420 1
118 1 20 1 "RMS(OBS, PRED)" H 57 0.572 1
119 1 20 1 "RMS(OBS, PRED)" HA 68 0.302 1
120 1 20 1 "RMS(OBS, PRED)" N 56 3.658 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 THR HA H 2 3.902 4.528 -0.626 2
1 6 . 1 1 A 2 2 THR CA C 2 61.460 61.304 0.156 2
1 7 . 1 1 A 2 2 THR CB C 2 69.379 70.158 -0.779 2
1 9 . 1 1 A 3 3 ILE H H 3 8.671 8.450 0.221 2
1 10 . 1 1 A 3 3 ILE HA H 3 4.166 3.975 0.191 2
1 20 . 1 1 A 3 3 ILE CA C 3 61.569 62.501 -0.932 2
1 21 . 1 1 A 3 3 ILE CB C 3 38.770 37.411 1.359 2
1 25 . 1 1 A 3 3 ILE N N 3 124.520 120.699 3.821 2
1 26 . 1 1 A 4 4 GLN H H 4 8.477 8.140 0.337 2
1 27 . 1 1 A 4 4 GLN HA H 4 4.291 4.037 0.254 2
1 34 . 1 1 A 4 4 GLN CA C 4 55.615 57.492 -1.877 2
1 35 . 1 1 A 4 4 GLN CB C 4 29.590 27.056 2.534 2
1 37 . 1 1 A 4 4 GLN N N 4 124.855 118.465 6.390 2
1 39 . 1 1 A 5 5 ALA H H 5 8.334 8.004 0.330 2
1 40 . 1 1 A 5 5 ALA HA H 5 4.568 4.378 0.190 2
1 44 . 1 1 A 5 5 ALA CA C 5 50.464 51.447 -0.983 2
1 45 . 1 1 A 5 5 ALA CB C 5 18.235 18.756 -0.521 2
1 46 . 1 1 A 5 5 ALA N N 5 127.159 121.905 5.254 2
1 47 . 1 1 A 6 6 PRO HA H 6 4.429 4.540 -0.111 2
1 53 . 1 1 A 6 6 PRO CA C 6 63.072 62.931 0.141 2
1 54 . 1 1 A 6 6 PRO CB C 6 32.220 30.698 1.522 2
1 57 . 1 1 A 7 7 GLU H H 7 8.363 8.169 0.194 2
1 58 . 1 1 A 7 7 GLU HA H 7 4.280 4.260 0.020 2
1 62 . 1 1 A 7 7 GLU CA C 7 56.298 56.567 -0.269 2
1 63 . 1 1 A 7 7 GLU CB C 7 31.415 29.590 1.825 2
1 65 . 1 1 A 7 7 GLU N N 7 122.629 121.825 0.804 2
1 66 . 1 1 A 8 8 THR H H 8 8.219 8.313 -0.094 2
1 67 . 1 1 A 8 8 THR HA H 8 4.948 4.831 0.117 2
1 72 . 1 1 A 8 8 THR CA C 8 62.157 61.970 0.187 2
1 73 . 1 1 A 8 8 THR CB C 8 70.658 70.012 0.646 2
1 75 . 1 1 A 8 8 THR N N 8 119.082 118.841 0.241 2
1 76 . 1 1 A 9 9 LYS H H 9 8.885 9.078 -0.193 2
1 77 . 1 1 A 9 9 LYS HA H 9 4.513 4.882 -0.369 2
1 86 . 1 1 A 9 9 LYS CA C 9 55.062 54.902 0.160 2
1 87 . 1 1 A 9 9 LYS CB C 9 35.316 34.676 0.640 2
1 91 . 1 1 A 9 9 LYS N N 9 128.038 125.709 2.329 2
1 92 . 1 1 A 10 10 ILE H H 10 8.550 8.776 -0.226 2
1 93 . 1 1 A 10 10 ILE HA H 10 5.029 4.775 0.254 2
1 103 . 1 1 A 10 10 ILE CA C 10 59.908 60.642 -0.734 2
1 104 . 1 1 A 10 10 ILE CB C 10 37.184 37.280 -0.096 2
1 108 . 1 1 A 10 10 ILE N N 10 124.813 126.530 -1.717 2
1 109 . 1 1 A 11 11 VAL H H 11 9.253 8.957 0.296 2
1 110 . 1 1 A 11 11 VAL HA H 11 4.970 4.777 0.193 2
1 118 . 1 1 A 11 11 VAL CA C 11 59.300 59.763 -0.463 2
1 119 . 1 1 A 11 11 VAL CB C 11 35.700 34.361 1.339 2
1 122 . 1 1 A 11 11 VAL N N 11 121.581 125.368 -3.787 2
1 123 . 1 1 A 12 12 ASP H H 12 8.471 8.788 -0.317 2
1 124 . 1 1 A 12 12 ASP HA H 12 4.825 4.736 0.089 2
1 127 . 1 1 A 12 12 ASP CA C 12 53.836 55.018 -1.182 2
1 128 . 1 1 A 12 12 ASP CB C 12 41.671 41.937 -0.266 2
1 129 . 1 1 A 12 12 ASP N N 12 118.084 121.723 -3.639 2
1 130 . 1 1 A 13 13 LYS H H 13 7.170 7.584 -0.414 2
1 131 . 1 1 A 13 13 LYS HA H 13 4.679 4.753 -0.074 2
1 140 . 1 1 A 13 13 LYS CA C 13 54.180 54.782 -0.602 2
1 141 . 1 1 A 13 13 LYS CB C 13 35.890 35.150 0.740 2
1 145 . 1 1 A 13 13 LYS N N 13 117.300 118.134 -0.834 2
1 146 . 1 1 A 14 14 SER H H 14 8.254 8.704 -0.450 2
1 147 . 1 1 A 14 14 SER HA H 14 4.170 4.483 -0.313 2
1 150 . 1 1 A 14 14 SER CA C 14 60.024 60.232 -0.208 2
1 151 . 1 1 A 14 14 SER CB C 14 63.593 63.748 -0.155 2
1 152 . 1 1 A 14 14 SER N N 14 111.308 115.901 -4.593 2
1 153 . 1 1 A 15 15 ARG H H 15 7.110 7.827 -0.717 2
1 154 . 1 1 A 15 15 ARG HA H 15 5.297 4.943 0.354 2
1 161 . 1 1 A 15 15 ARG CA C 15 55.163 55.435 -0.272 2
1 162 . 1 1 A 15 15 ARG CB C 15 31.260 31.390 -0.130 2
1 165 . 1 1 A 15 15 ARG N N 15 121.362 120.391 0.971 2
1 166 . 1 1 A 16 16 VAL H H 16 8.809 8.843 -0.034 2
1 167 . 1 1 A 16 16 VAL HA H 16 4.450 4.484 -0.034 2
1 175 . 1 1 A 16 16 VAL CA C 16 59.600 60.618 -1.018 2
1 176 . 1 1 A 16 16 VAL CB C 16 35.800 34.291 1.509 2
1 179 . 1 1 A 16 16 VAL N N 16 124.300 124.920 -0.620 2
1 180 . 1 1 A 17 17 ALA H H 17 8.009 8.316 -0.307 2
1 181 . 1 1 A 17 17 ALA HA H 17 4.322 4.227 0.095 2
1 185 . 1 1 A 17 17 ALA CA C 17 49.691 50.679 -0.988 2
1 186 . 1 1 A 17 17 ALA CB C 17 17.652 18.550 -0.898 2
1 187 . 1 1 A 17 17 ALA N N 17 127.911 129.087 -1.176 2
1 188 . 1 1 A 18 18 CYS H H 18 8.814 8.630 0.184 2
1 189 . 1 1 A 18 18 CYS HA H 18 4.492 4.669 -0.177 2
1 192 . 1 1 A 18 18 CYS CA C 18 59.650 58.230 1.420 2
1 193 . 1 1 A 18 18 CYS CB C 18 31.882 28.457 3.425 2
1 194 . 1 1 A 18 18 CYS N N 18 123.363 122.326 1.037 2
1 195 . 1 1 A 19 19 ASP H H 19 8.528 8.810 -0.282 2
1 196 . 1 1 A 19 19 ASP HA H 19 4.489 4.338 0.151 2
1 199 . 1 1 A 19 19 ASP CA C 19 53.107 55.342 -2.235 2
1 200 . 1 1 A 19 19 ASP CB C 19 42.346 40.819 1.527 2
1 201 . 1 1 A 19 19 ASP N N 19 128.758 124.686 4.072 2
1 202 . 1 1 A 20 20 GLY H H 20 9.037 7.551 1.486 2
1 203 . 1 1 A 20 20 GLY HA2 H 20 4.079 3.927 0.152 2
1 204 . 1 1 A 20 20 GLY HA3 H 20 3.906 4.052 -0.146 2
1 205 . 1 1 A 20 20 GLY CA C 20 45.894 45.300 0.594 2
1 206 . 1 1 A 20 20 GLY N N 20 115.047 105.691 9.356 2
1 207 . 1 1 A 21 21 GLY H H 21 7.336 8.426 -1.090 2
1 208 . 1 1 A 21 21 GLY HA2 H 21 4.246 3.994 0.253 2
1 209 . 1 1 A 21 21 GLY HA3 H 21 3.612 4.029 -0.417 2
1 210 . 1 1 A 21 21 GLY CA C 21 44.222 45.729 -1.507 2
1 211 . 1 1 A 21 21 GLY N N 21 109.000 109.520 -0.520 2
1 212 . 1 1 A 22 22 GLU H H 22 8.359 7.976 0.384 2
1 213 . 1 1 A 22 22 GLU HA H 22 4.192 4.494 -0.302 2
1 218 . 1 1 A 22 22 GLU CA C 22 56.200 55.577 0.623 2
1 219 . 1 1 A 22 22 GLU CB C 22 30.746 31.253 -0.507 2
1 221 . 1 1 A 22 22 GLU N N 22 118.322 119.961 -1.639 2
1 222 . 1 1 A 23 23 GLY H H 23 8.809 8.719 0.090 2
1 223 . 1 1 A 23 23 GLY HA2 H 23 3.780 3.724 0.056 2
1 224 . 1 1 A 23 23 GLY HA3 H 23 3.835 3.763 0.072 2
1 225 . 1 1 A 23 23 GLY CA C 23 46.688 47.363 -0.675 2
1 226 . 1 1 A 23 23 GLY N N 23 111.934 111.671 0.263 2
1 227 . 1 1 A 24 24 ALA H H 24 8.995 8.041 0.954 2
1 228 . 1 1 A 24 24 ALA HA H 24 4.246 4.180 0.066 2
1 232 . 1 1 A 24 24 ALA CA C 24 53.645 53.201 0.444 2
1 233 . 1 1 A 24 24 ALA CB C 24 18.641 18.608 0.032 2
1 234 . 1 1 A 24 24 ALA N N 24 129.183 125.399 3.784 2
1 235 . 1 1 A 25 25 LEU H H 25 7.780 7.832 -0.052 2
1 236 . 1 1 A 25 25 LEU HA H 25 4.407 4.253 0.154 2
1 246 . 1 1 A 25 25 LEU CA C 25 54.551 54.781 -0.229 2
1 247 . 1 1 A 25 25 LEU CB C 25 41.305 41.197 0.108 2
1 251 . 1 1 A 25 25 LEU N N 25 116.850 115.653 1.197 2
1 252 . 1 1 A 26 26 GLY H H 26 7.808 7.852 -0.044 2
1 253 . 1 1 A 26 26 GLY HA2 H 26 4.313 3.799 0.514 2
1 254 . 1 1 A 26 26 GLY HA3 H 26 3.685 3.898 -0.213 2
1 255 . 1 1 A 26 26 GLY CA C 26 45.895 45.370 0.525 2
1 256 . 1 1 A 26 26 GLY N N 26 110.392 107.813 2.579 2
1 257 . 1 1 A 27 27 HIS H H 27 7.626 8.297 -0.671 2
1 258 . 1 1 A 27 27 HIS HA H 27 4.999 4.613 0.386 2
1 263 . 1 1 A 27 27 HIS CA C 27 53.604 54.796 -1.192 2
1 264 . 1 1 A 27 27 HIS CB C 27 28.333 29.901 -1.568 2
1 267 . 1 1 A 27 27 HIS N N 27 118.046 119.866 -1.820 2
1 268 . 1 1 A 28 28 PRO HA H 28 4.270 4.406 -0.136 2
1 275 . 1 1 A 28 28 PRO CA C 28 63.293 64.107 -0.814 2
1 276 . 1 1 A 28 28 PRO CB C 28 31.916 31.300 0.616 2
1 279 . 1 1 A 29 29 ARG H H 29 8.464 7.929 0.535 2
1 280 . 1 1 A 29 29 ARG HA H 29 4.350 4.209 0.141 2
1 288 . 1 1 A 29 29 ARG CA C 29 58.043 56.468 1.575 2
1 289 . 1 1 A 29 29 ARG CB C 29 30.269 30.048 0.221 2
1 292 . 1 1 A 29 29 ARG N N 29 125.844 117.254 8.590 2
1 294 . 1 1 A 30 30 VAL H H 30 8.472 8.309 0.163 2
1 295 . 1 1 A 30 30 VAL HA H 30 4.540 4.835 -0.295 2
1 303 . 1 1 A 30 30 VAL CA C 30 59.500 60.690 -1.190 2
1 304 . 1 1 A 30 30 VAL CB C 30 35.700 34.136 1.564 2
1 307 . 1 1 A 30 30 VAL N N 30 125.322 121.446 3.876 2
1 308 . 1 1 A 31 31 TRP H H 31 8.648 9.037 -0.390 2
1 309 . 1 1 A 31 31 TRP HA H 31 4.864 5.359 -0.495 2
1 318 . 1 1 A 31 31 TRP CA C 31 56.885 55.553 1.332 2
1 319 . 1 1 A 31 31 TRP CB C 31 29.922 30.981 -1.059 2
1 325 . 1 1 A 31 31 TRP N N 31 125.162 127.125 -1.963 2
1 327 . 1 1 A 32 32 LEU H H 32 9.634 9.151 0.483 2
1 328 . 1 1 A 32 32 LEU HA H 32 4.701 4.973 -0.272 2
1 338 . 1 1 A 32 32 LEU CA C 32 53.078 53.566 -0.488 2
1 339 . 1 1 A 32 32 LEU CB C 32 44.467 43.744 0.723 2
1 343 . 1 1 A 32 32 LEU N N 32 125.975 125.117 0.858 2
1 344 . 1 1 A 33 33 GLN H H 33 8.446 8.807 -0.361 2
1 345 . 1 1 A 33 33 GLN HA H 33 5.027 4.945 0.082 2
1 352 . 1 1 A 33 33 GLN CA C 33 53.279 54.567 -1.288 2
1 353 . 1 1 A 33 33 GLN CB C 33 30.512 30.980 -0.468 2
1 355 . 1 1 A 33 33 GLN N N 33 121.000 122.686 -1.686 2
1 357 . 1 1 A 34 34 ILE H H 34 9.377 8.775 0.602 2
1 358 . 1 1 A 34 34 ILE HA H 34 3.900 4.324 -0.424 2
1 368 . 1 1 A 34 34 ILE CA C 34 60.335 59.683 0.652 2
1 369 . 1 1 A 34 34 ILE CB C 34 38.613 38.436 0.177 2
1 373 . 1 1 A 34 34 ILE N N 34 128.325 127.204 1.121 2
1 374 . 1 1 A 35 35 PRO HA H 35 4.471 4.751 -0.280 2
1 381 . 1 1 A 35 35 PRO CA C 35 62.744 62.366 0.378 2
1 382 . 1 1 A 35 35 PRO CB C 35 32.282 31.996 0.286 2
1 385 . 1 1 A 36 36 GLU H H 36 8.971 8.782 0.189 2
1 386 . 1 1 A 36 36 GLU HA H 36 3.918 3.998 -0.080 2
1 391 . 1 1 A 36 36 GLU CA C 36 59.030 59.261 -0.231 2
1 392 . 1 1 A 36 36 GLU CB C 36 29.791 29.253 0.538 2
1 394 . 1 1 A 36 36 GLU N N 36 124.755 123.257 1.498 2
1 395 . 1 1 A 37 37 ASP H H 37 8.657 8.138 0.519 2
1 396 . 1 1 A 37 37 ASP HA H 37 4.421 4.385 0.036 2
1 399 . 1 1 A 37 37 ASP CA C 37 55.552 57.034 -1.482 2
1 400 . 1 1 A 37 37 ASP CB C 37 39.824 40.901 -1.077 2
1 401 . 1 1 A 37 37 ASP N N 37 114.541 119.636 -5.095 2
1 402 . 1 1 A 38 38 THR H H 38 7.498 7.659 -0.161 2
1 403 . 1 1 A 38 38 THR HA H 38 4.415 4.362 0.053 2
1 408 . 1 1 A 38 38 THR CA C 38 62.748 62.540 0.208 2
1 409 . 1 1 A 38 38 THR CB C 38 69.280 70.161 -0.881 2
1 411 . 1 1 A 38 38 THR N N 38 109.405 108.121 1.284 2
1 412 . 1 1 A 39 39 GLY H H 39 7.967 8.609 -0.642 2
1 413 . 1 1 A 39 39 GLY HA2 H 39 4.446 3.937 0.509 2
1 414 . 1 1 A 39 39 GLY HA3 H 39 3.619 3.999 -0.380 2
1 415 . 1 1 A 39 39 GLY CA C 39 46.428 45.309 1.119 2
1 416 . 1 1 A 39 39 GLY N N 39 108.005 110.516 -2.511 2
1 417 . 1 1 A 40 40 TRP H H 40 7.442 6.995 0.446 2
1 418 . 1 1 A 40 40 TRP HA H 40 5.960 5.577 0.383 2
1 427 . 1 1 A 40 40 TRP CA C 40 54.581 55.572 -0.991 2
1 428 . 1 1 A 40 40 TRP CB C 40 33.231 31.634 1.597 2
1 434 . 1 1 A 40 40 TRP N N 40 114.404 116.717 -2.313 2
1 436 . 1 1 A 41 41 VAL H H 41 9.317 9.040 0.277 2
1 437 . 1 1 A 41 41 VAL HA H 41 4.260 4.828 -0.568 2
1 445 . 1 1 A 41 41 VAL CA C 41 60.900 60.375 0.525 2
1 446 . 1 1 A 41 41 VAL CB C 41 36.400 35.717 0.683 2
1 449 . 1 1 A 41 41 VAL N N 41 119.203 121.031 -1.828 2
1 450 . 1 1 A 42 42 GLU H H 42 8.635 8.958 -0.323 2
1 451 . 1 1 A 42 42 GLU HA H 42 5.559 5.179 0.380 2
1 456 . 1 1 A 42 42 GLU CA C 42 53.676 55.418 -1.742 2
1 457 . 1 1 A 42 42 GLU CB C 42 32.534 31.853 0.681 2
1 459 . 1 1 A 42 42 GLU N N 42 125.457 126.531 -1.074 2
1 460 . 1 1 A 43 43 CYS H H 43 9.018 8.759 0.259 2
1 461 . 1 1 A 43 43 CYS HA H 43 4.710 4.846 -0.136 2
1 464 . 1 1 A 43 43 CYS CA C 43 56.955 56.854 0.101 2
1 465 . 1 1 A 43 43 CYS CB C 43 31.650 28.872 2.778 2
1 466 . 1 1 A 43 43 CYS N N 43 127.165 122.725 4.440 2
1 467 . 1 1 A 44 44 PRO HA H 44 4.455 4.379 0.076 2
1 474 . 1 1 A 44 44 PRO CA C 44 64.002 64.109 -0.107 2
1 475 . 1 1 A 44 44 PRO CB C 44 31.979 31.670 0.309 2
1 478 . 1 1 A 45 45 TYR H H 45 9.205 7.881 1.324 2
1 479 . 1 1 A 45 45 TYR HA H 45 4.477 4.488 -0.011 2
1 486 . 1 1 A 45 45 TYR CA C 45 59.357 59.721 -0.364 2
1 487 . 1 1 A 45 45 TYR CB C 45 38.009 39.172 -1.163 2
1 492 . 1 1 A 45 45 TYR N N 45 120.751 116.325 4.426 2
1 493 . 1 1 A 46 46 CYS H H 46 8.097 7.901 0.196 2
1 494 . 1 1 A 46 46 CYS HA H 46 5.092 4.747 0.345 2
1 497 . 1 1 A 46 46 CYS CA C 46 58.497 58.922 -0.425 2
1 498 . 1 1 A 46 46 CYS CB C 46 32.055 28.527 3.528 2
1 499 . 1 1 A 46 46 CYS N N 46 117.233 116.853 0.380 2
1 500 . 1 1 A 47 47 ASP H H 47 7.967 8.295 -0.328 2
1 501 . 1 1 A 47 47 ASP HA H 47 4.629 4.571 0.058 2
1 504 . 1 1 A 47 47 ASP CA C 47 56.076 55.376 0.700 2
1 505 . 1 1 A 47 47 ASP CB C 47 39.369 40.374 -1.005 2
1 506 . 1 1 A 47 47 ASP N N 47 118.439 120.028 -1.589 2
1 507 . 1 1 A 48 48 CYS H H 48 8.364 7.755 0.609 2
1 508 . 1 1 A 48 48 CYS HA H 48 4.175 4.650 -0.475 2
1 511 . 1 1 A 48 48 CYS CA C 48 61.629 58.439 3.190 2
1 512 . 1 1 A 48 48 CYS CB C 48 28.528 29.890 -1.362 2
1 513 . 1 1 A 48 48 CYS N N 48 121.540 116.918 4.622 2
1 514 . 1 1 A 49 49 LYS H H 49 8.542 8.515 0.027 2
1 515 . 1 1 A 49 49 LYS HA H 49 4.956 4.879 0.077 2
1 524 . 1 1 A 49 49 LYS CA C 49 55.388 54.774 0.614 2
1 525 . 1 1 A 49 49 LYS CB C 49 34.179 34.031 0.148 2
1 529 . 1 1 A 49 49 LYS N N 49 129.258 124.208 5.050 2
1 530 . 1 1 A 50 50 TYR H H 50 9.320 9.385 -0.065 2
1 531 . 1 1 A 50 50 TYR HA H 50 5.264 5.243 0.021 2
1 538 . 1 1 A 50 50 TYR CA C 50 57.636 57.255 0.381 2
1 539 . 1 1 A 50 50 TYR CB C 50 40.412 39.282 1.130 2
1 544 . 1 1 A 50 50 TYR N N 50 125.926 127.380 -1.454 2
1 545 . 1 1 A 51 51 VAL H H 51 8.925 9.217 -0.292 2
1 546 . 1 1 A 51 51 VAL HA H 51 4.824 4.682 0.142 2
1 554 . 1 1 A 51 51 VAL CA C 51 59.968 61.878 -1.910 2
1 555 . 1 1 A 51 51 VAL CB C 51 35.624 33.318 2.306 2
1 558 . 1 1 A 51 51 VAL N N 51 122.631 124.708 -2.077 2
1 559 . 1 1 A 52 52 LEU H H 52 8.771 8.848 -0.077 2
1 560 . 1 1 A 52 52 LEU HA H 52 4.496 4.837 -0.341 2
1 570 . 1 1 A 52 52 LEU CA C 52 54.163 54.565 -0.402 2
1 571 . 1 1 A 52 52 LEU CB C 52 43.220 43.301 -0.081 2
1 575 . 1 1 A 52 52 LEU N N 52 127.249 129.956 -2.707 2
1 576 . 1 1 A 53 53 LYS H H 53 9.317 8.945 0.372 2
1 577 . 1 1 A 53 53 LYS HA H 53 4.028 3.989 0.039 2
1 586 . 1 1 A 53 53 LYS CA C 53 57.885 58.206 -0.321 2
1 587 . 1 1 A 53 53 LYS CB C 53 32.819 32.133 0.686 2
1 591 . 1 1 A 53 53 LYS N N 53 132.446 127.010 5.436 2
1 592 . 1 1 A 54 54 GLY H H 54 10.642 8.853 1.789 2
1 593 . 1 1 A 54 54 GLY HA2 H 54 4.195 3.973 0.222 2
1 594 . 1 1 A 54 54 GLY HA3 H 54 3.817 3.991 -0.174 2
1 595 . 1 1 A 54 54 GLY CA C 54 45.390 45.464 -0.074 2
1 596 . 1 1 A 54 54 GLY N N 54 117.440 115.176 2.264 2
1 597 . 1 1 A 55 55 SER H H 55 7.996 7.774 0.222 2
1 598 . 1 1 A 55 55 SER HA H 55 4.623 4.744 -0.121 2
1 601 . 1 1 A 55 55 SER CA C 55 58.553 57.043 1.510 2
1 602 . 1 1 A 55 55 SER CB C 55 66.037 65.305 0.733 2
1 603 . 1 1 A 55 55 SER N N 55 115.895 115.107 0.788 2
1 604 . 1 1 A 56 56 LYS H H 56 9.018 8.864 0.154 2
1 605 . 1 1 A 56 56 LYS HA H 56 4.115 4.084 0.031 2
1 614 . 1 1 A 56 56 LYS CA C 56 58.716 58.908 -0.192 2
1 615 . 1 1 A 56 56 LYS CB C 56 32.311 32.147 0.164 2
1 619 . 1 1 A 56 56 LYS N N 56 120.334 123.467 -3.133 2
1 620 . 1 1 A 57 57 ALA H H 57 7.590 7.797 -0.207 2
1 621 . 1 1 A 57 57 ALA HA H 57 4.318 4.333 -0.015 2
1 625 . 1 1 A 57 57 ALA CA C 57 53.124 53.402 -0.278 2
1 626 . 1 1 A 57 57 ALA CB C 57 20.015 19.058 0.957 2
1 627 . 1 1 A 57 57 ALA N N 57 119.501 121.131 -1.630 2
1 628 . 1 1 A 58 58 ASP H H 58 7.588 7.957 -0.369 2
1 629 . 1 1 A 58 58 ASP HA H 58 4.441 4.688 -0.247 2
1 632 . 1 1 A 58 58 ASP CA C 58 54.193 54.235 -0.042 2
1 633 . 1 1 A 58 58 ASP CB C 58 41.066 41.429 -0.363 2
1 634 . 1 1 A 58 58 ASP N N 58 120.195 118.507 1.688 2
1 635 . 1 1 A 59 59 ALA H H 59 7.840 8.083 -0.243 2
1 636 . 1 1 A 59 59 ALA HA H 59 4.188 4.254 -0.066 2
1 640 . 1 1 A 59 59 ALA CA C 59 53.326 52.584 0.742 2
1 641 . 1 1 A 59 59 ALA CB C 59 19.094 18.929 0.165 2
1 642 . 1 1 A 59 59 ALA N N 59 124.358 123.018 1.340 2
1 643 . 1 1 A 60 60 LEU H H 60 8.078 7.799 0.279 2
1 644 . 1 1 A 60 60 LEU HA H 60 4.100 4.299 -0.199 2
1 654 . 1 1 A 60 60 LEU CA C 60 56.210 55.375 0.835 2
1 655 . 1 1 A 60 60 LEU CB C 60 41.973 41.755 0.218 2
1 659 . 1 1 A 60 60 LEU N N 60 119.688 118.046 1.642 2
1 660 . 1 1 A 61 61 GLU H H 61 8.042 8.301 -0.259 2
1 661 . 1 1 A 61 61 GLU HA H 61 4.072 4.312 -0.240 2
1 666 . 1 1 A 61 61 GLU CA C 61 56.896 57.072 -0.176 2
1 667 . 1 1 A 61 61 GLU CB C 61 29.776 29.117 0.659 2
1 669 . 1 1 A 61 61 GLU N N 61 119.804 119.357 0.447 2
1 670 . 1 1 A 62 62 HIS H H 62 8.153 8.282 -0.129 2
1 671 . 1 1 A 62 62 HIS HA H 62 4.610 4.666 -0.056 2
1 674 . 1 1 A 62 62 HIS CA C 62 56.131 56.217 -0.086 2
1 675 . 1 1 A 62 62 HIS CB C 62 29.250 30.326 -1.076 2
1 676 . 1 1 A 62 62 HIS N N 62 117.955 120.126 -2.171 2
1 677 . 1 1 A 63 63 HIS H H 63 8.324 8.162 0.163 2
1 678 . 1 1 A 63 63 HIS HA H 63 4.520 4.592 -0.072 2
1 681 . 1 1 A 63 63 HIS CA C 63 57.194 55.920 1.274 2
1 682 . 1 1 A 63 63 HIS CB C 63 29.761 30.557 -0.796 2
stop_
save_