data_10244_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10244
_Entry.PDB_ID 1X6F
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.975 4.231 -0.256 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.975 4.231 -0.256 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.115 173.059 1.056 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.392 45.459 -0.067 1
1 5 . 1 1 1 A 8 8 LEU H H 8 8.037 8.266 -0.229 1
1 6 . 1 1 1 A 8 8 LEU HA H 8 4.347 5.057 -0.710 1
1 16 . 1 1 1 A 8 8 LEU C C 8 177.426 174.890 2.536 1
1 17 . 1 1 1 A 8 8 LEU CA C 8 55.352 54.098 1.254 1
1 18 . 1 1 1 A 8 8 LEU CB C 8 42.478 44.163 -1.685 1
1 22 . 1 1 1 A 8 8 LEU N N 8 121.686 122.446 -0.760 1
1 23 . 1 1 1 A 9 9 LYS H H 9 8.309 8.417 -0.108 1
1 24 . 1 1 1 A 9 9 LYS HA H 9 4.319 4.733 -0.414 1
1 29 . 1 1 1 A 9 9 LYS CA C 9 56.195 56.103 0.092 1
1 30 . 1 1 1 A 9 9 LYS CB C 9 32.820 35.425 -2.605 1
1 34 . 1 1 1 A 9 9 LYS N N 9 122.335 125.165 -2.830 1
1 35 . 1 1 1 A 10 10 ARG HA H 10 4.306 4.985 -0.679 1
1 42 . 1 1 1 A 10 10 ARG C C 10 175.845 174.507 1.338 1
1 43 . 1 1 1 A 10 10 ARG CA C 10 56.146 53.916 2.230 1
1 44 . 1 1 1 A 10 10 ARG CB C 10 31.005 34.982 -3.977 1
1 47 . 1 1 1 A 11 11 ASP H H 11 8.293 8.943 -0.650 1
1 48 . 1 1 1 A 11 11 ASP HA H 11 4.582 5.658 -1.076 1
1 51 . 1 1 1 A 11 11 ASP C C 11 175.382 174.965 0.417 1
1 52 . 1 1 1 A 11 11 ASP CA C 11 54.612 52.253 2.359 1
1 53 . 1 1 1 A 11 11 ASP CB C 11 41.572 44.806 -3.234 1
1 54 . 1 1 1 A 11 11 ASP N N 11 120.563 117.136 3.427 1
1 55 . 1 1 1 A 12 12 PHE H H 12 7.961 8.954 -0.993 1
1 56 . 1 1 1 A 12 12 PHE HA H 12 4.758 5.671 -0.913 1
1 63 . 1 1 1 A 12 12 PHE C C 12 175.068 173.910 1.158 1
1 64 . 1 1 1 A 12 12 PHE CA C 12 58.990 54.968 4.022 1
1 65 . 1 1 1 A 12 12 PHE CB C 12 40.037 42.731 -2.694 1
1 70 . 1 1 1 A 12 12 PHE N N 12 118.808 115.914 2.894 1
1 71 . 1 1 1 A 13 13 ILE H H 13 8.167 8.898 -0.731 1
1 72 . 1 1 1 A 13 13 ILE HA H 13 4.167 4.537 -0.370 1
1 82 . 1 1 1 A 13 13 ILE C C 13 175.712 174.901 0.811 1
1 83 . 1 1 1 A 13 13 ILE CA C 13 60.976 60.345 0.631 1
1 84 . 1 1 1 A 13 13 ILE CB C 13 39.277 41.531 -2.254 1
1 88 . 1 1 1 A 13 13 ILE N N 13 122.190 119.454 2.736 1
1 89 . 1 1 1 A 14 14 ILE H H 14 8.287 8.835 -0.548 1
1 90 . 1 1 1 A 14 14 ILE HA H 14 4.163 4.895 -0.732 1
1 100 . 1 1 1 A 14 14 ILE C C 14 176.116 174.580 1.536 1
1 101 . 1 1 1 A 14 14 ILE CA C 14 61.142 60.408 0.734 1
1 102 . 1 1 1 A 14 14 ILE CB C 14 38.438 40.181 -1.743 1
1 106 . 1 1 1 A 14 14 ILE N N 14 125.550 127.349 -1.799 1
1 107 . 1 1 1 A 15 15 LEU H H 15 8.398 8.520 -0.122 1
1 108 . 1 1 1 A 15 15 LEU HA H 15 4.397 4.792 -0.395 1
1 118 . 1 1 1 A 15 15 LEU C C 15 177.749 175.139 2.610 1
1 119 . 1 1 1 A 15 15 LEU CA C 15 55.123 54.202 0.921 1
1 120 . 1 1 1 A 15 15 LEU CB C 15 42.560 45.481 -2.921 1
1 124 . 1 1 1 A 15 15 LEU N N 15 127.408 127.367 0.041 1
1 125 . 1 1 1 A 16 16 GLY H H 16 8.347 8.516 -0.169 1
1 126 . 1 1 1 A 16 16 GLY HA2 H 16 3.964 4.181 -0.217 1
1 127 . 1 1 1 A 16 16 GLY HA3 H 16 3.964 4.185 -0.221 1
1 128 . 1 1 1 A 16 16 GLY C C 16 172.979 174.399 -1.420 1
1 129 . 1 1 1 A 16 16 GLY CA C 16 45.286 45.548 -0.262 1
1 130 . 1 1 1 A 16 16 GLY N N 16 109.546 111.123 -1.577 1
1 131 . 1 1 1 A 17 17 ASN H H 17 7.974 8.353 -0.379 1
1 132 . 1 1 1 A 17 17 ASN HA H 17 4.577 4.776 -0.199 1
1 137 . 1 1 1 A 17 17 ASN C C 17 175.869 175.452 0.417 1
1 138 . 1 1 1 A 17 17 ASN CA C 17 54.665 54.215 0.450 1
1 139 . 1 1 1 A 17 17 ASN CB C 17 40.830 38.992 1.838 1
1 140 . 1 1 1 A 17 17 ASN N N 17 124.057 120.145 3.912 1
1 142 . 1 1 1 A 18 18 GLY H H 18 8.150 7.894 0.256 1
1 143 . 1 1 1 A 18 18 GLY HA2 H 18 4.073 4.066 0.007 1
1 144 . 1 1 1 A 18 18 GLY HA3 H 18 4.073 4.066 0.007 1
1 145 . 1 1 1 A 18 18 GLY C C 18 172.372 173.918 -1.546 1
1 146 . 1 1 1 A 18 18 GLY CA C 18 44.898 44.880 0.018 1
1 147 . 1 1 1 A 18 18 GLY N N 18 113.988 107.526 6.462 1
1 148 . 1 1 1 A 19 19 PRO HA H 19 4.441 4.526 -0.085 1
1 155 . 1 1 1 A 19 19 PRO C C 19 177.039 176.391 0.648 1
1 156 . 1 1 1 A 19 19 PRO CA C 19 63.268 63.587 -0.319 1
1 157 . 1 1 1 A 19 19 PRO CB C 19 32.159 32.158 0.001 1
1 160 . 1 1 1 A 20 20 ARG H H 20 8.414 7.800 0.614 1
1 161 . 1 1 1 A 20 20 ARG HA H 20 4.339 4.445 -0.106 1
1 167 . 1 1 1 A 20 20 ARG C C 20 176.312 175.481 0.831 1
1 168 . 1 1 1 A 20 20 ARG CA C 20 56.111 56.656 -0.545 1
1 169 . 1 1 1 A 20 20 ARG CB C 20 30.612 31.303 -0.691 1
1 172 . 1 1 1 A 20 20 ARG N N 20 120.839 120.456 0.383 1
1 173 . 1 1 1 A 21 21 LEU H H 21 8.306 8.555 -0.249 1
1 174 . 1 1 1 A 21 21 LEU HA H 21 4.405 4.814 -0.409 1
1 183 . 1 1 1 A 21 21 LEU C C 21 177.403 176.534 0.869 1
1 184 . 1 1 1 A 21 21 LEU CA C 21 55.141 53.358 1.783 1
1 185 . 1 1 1 A 21 21 LEU CB C 21 42.190 45.904 -3.714 1
1 189 . 1 1 1 A 21 21 LEU N N 21 123.561 120.914 2.647 1
1 190 . 1 1 1 A 22 22 GLN H H 22 8.406 8.401 0.005 1
1 191 . 1 1 1 A 22 22 GLN HA H 22 4.336 4.340 -0.004 1
1 198 . 1 1 1 A 22 22 GLN C C 22 175.699 175.556 0.143 1
1 199 . 1 1 1 A 22 22 GLN CA C 22 56.181 56.706 -0.525 1
1 200 . 1 1 1 A 22 22 GLN CB C 22 29.492 29.572 -0.080 1
1 202 . 1 1 1 A 22 22 GLN N N 22 120.835 121.869 -1.034 1
1 204 . 1 1 1 A 24 24 SER HA H 24 4.451 3.989 0.462 1
1 207 . 1 1 1 A 24 24 SER C C 24 173.514 173.383 0.131 1
1 208 . 1 1 1 A 24 24 SER CA C 24 58.579 58.887 -0.308 1
1 209 . 1 1 1 A 24 24 SER CB C 24 63.967 62.017 1.950 1
1 210 . 1 1 1 A 25 25 THR H H 25 7.806 7.829 -0.023 1
1 211 . 1 1 1 A 25 25 THR HA H 25 4.348 4.950 -0.602 1
1 216 . 1 1 1 A 25 25 THR C C 25 173.359 173.495 -0.136 1
1 217 . 1 1 1 A 25 25 THR CA C 25 61.593 60.367 1.226 1
1 218 . 1 1 1 A 25 25 THR CB C 25 70.716 70.750 -0.034 1
1 220 . 1 1 1 A 25 25 THR N N 25 114.185 111.055 3.130 1
1 221 . 1 1 1 A 26 26 TYR H H 26 8.598 9.383 -0.785 1
1 222 . 1 1 1 A 26 26 TYR HA H 26 4.670 5.177 -0.507 1
1 229 . 1 1 1 A 26 26 TYR C C 26 174.444 174.752 -0.308 1
1 230 . 1 1 1 A 26 26 TYR CA C 26 56.798 56.480 0.318 1
1 231 . 1 1 1 A 26 26 TYR CB C 26 39.717 39.572 0.145 1
1 236 . 1 1 1 A 26 26 TYR N N 26 121.326 120.331 0.995 1
1 237 . 1 1 1 A 27 27 GLN H H 27 8.528 8.708 -0.180 1
1 238 . 1 1 1 A 27 27 GLN HA H 27 4.670 4.921 -0.251 1
1 245 . 1 1 1 A 27 27 GLN C C 27 175.055 175.315 -0.260 1
1 246 . 1 1 1 A 27 27 GLN CA C 27 54.718 54.571 0.147 1
1 247 . 1 1 1 A 27 27 GLN CB C 27 30.938 28.474 2.464 1
1 249 . 1 1 1 A 27 27 GLN N N 27 123.045 124.788 -1.743 1
1 251 . 1 1 1 A 28 28 CYS H H 28 8.682 8.205 0.477 1
1 252 . 1 1 1 A 28 28 CYS HA H 28 4.331 4.422 -0.091 1
1 255 . 1 1 1 A 28 28 CYS C C 28 176.610 176.336 0.274 1
1 256 . 1 1 1 A 28 28 CYS CA C 28 60.394 60.028 0.366 1
1 257 . 1 1 1 A 28 28 CYS CB C 28 29.850 28.230 1.620 1
1 258 . 1 1 1 A 28 28 CYS N N 28 129.276 126.580 2.696 1
1 259 . 1 1 1 A 29 29 LYS H H 29 8.454 8.711 -0.257 1
1 260 . 1 1 1 A 29 29 LYS HA H 29 4.257 4.710 -0.453 1
1 269 . 1 1 1 A 29 29 LYS C C 29 176.581 176.155 0.426 1
1 270 . 1 1 1 A 29 29 LYS CA C 29 57.584 55.906 1.678 1
1 271 . 1 1 1 A 29 29 LYS CB C 29 32.145 32.424 -0.279 1
1 275 . 1 1 1 A 29 29 LYS N N 29 127.445 123.271 4.174 1
1 276 . 1 1 1 A 30 30 HIS H H 30 9.625 7.830 1.795 1
1 277 . 1 1 1 A 30 30 HIS HA H 30 4.608 4.700 -0.092 1
1 281 . 1 1 1 A 30 30 HIS C C 30 175.524 176.383 -0.859 1
1 282 . 1 1 1 A 30 30 HIS CA C 30 56.956 56.944 0.012 1
1 283 . 1 1 1 A 30 30 HIS CB C 30 30.732 31.789 -1.057 1
1 285 . 1 1 1 A 30 30 HIS N N 30 121.657 116.634 5.023 1
1 286 . 1 1 1 A 31 31 CYS H H 31 8.086 8.168 -0.082 1
1 287 . 1 1 1 A 31 31 CYS HA H 31 5.078 4.533 0.545 1
1 290 . 1 1 1 A 31 31 CYS C C 31 173.769 174.336 -0.567 1
1 291 . 1 1 1 A 31 31 CYS CA C 31 58.349 58.340 0.009 1
1 292 . 1 1 1 A 31 31 CYS CB C 31 31.268 29.838 1.430 1
1 293 . 1 1 1 A 31 31 CYS N N 31 118.457 113.239 5.218 1
1 294 . 1 1 1 A 32 32 ASP H H 32 8.135 8.185 -0.050 1
1 295 . 1 1 1 A 32 32 ASP HA H 32 4.637 4.375 0.262 1
1 298 . 1 1 1 A 32 32 ASP C C 32 176.540 174.710 1.830 1
1 299 . 1 1 1 A 32 32 ASP CA C 32 55.687 55.588 0.099 1
1 300 . 1 1 1 A 32 32 ASP CB C 32 40.418 38.993 1.425 1
1 301 . 1 1 1 A 32 32 ASP N N 32 116.820 118.232 -1.412 1
1 302 . 1 1 1 A 33 33 SER H H 33 8.667 7.918 0.749 1
1 303 . 1 1 1 A 33 33 SER HA H 33 4.267 4.666 -0.399 1
1 306 . 1 1 1 A 33 33 SER C C 33 172.462 173.101 -0.639 1
1 307 . 1 1 1 A 33 33 SER CA C 33 61.452 56.413 5.039 1
1 308 . 1 1 1 A 33 33 SER CB C 33 63.893 65.249 -1.356 1
1 309 . 1 1 1 A 33 33 SER N N 33 119.488 112.337 7.151 1
1 310 . 1 1 1 A 34 34 LYS H H 34 8.389 8.350 0.039 1
1 311 . 1 1 1 A 34 34 LYS HA H 34 4.747 5.348 -0.601 1
1 320 . 1 1 1 A 34 34 LYS C C 34 175.517 175.273 0.244 1
1 321 . 1 1 1 A 34 34 LYS CA C 34 55.476 54.975 0.501 1
1 322 . 1 1 1 A 34 34 LYS CB C 34 33.526 34.543 -1.017 1
1 326 . 1 1 1 A 34 34 LYS N N 34 122.954 121.269 1.685 1
1 327 . 1 1 1 A 35 35 LEU H H 35 8.825 8.809 0.016 1
1 328 . 1 1 1 A 35 35 LEU HA H 35 4.847 4.706 0.141 1
1 338 . 1 1 1 A 35 35 LEU C C 35 177.476 177.866 -0.390 1
1 339 . 1 1 1 A 35 35 LEU CA C 35 52.673 53.182 -0.509 1
1 340 . 1 1 1 A 35 35 LEU CB C 35 42.115 43.866 -1.751 1
1 344 . 1 1 1 A 35 35 LEU N N 35 126.489 125.526 0.963 1
1 345 . 1 1 1 A 36 36 GLN H H 36 8.883 8.411 0.472 1
1 346 . 1 1 1 A 36 36 GLN HA H 36 4.565 4.141 0.424 1
1 353 . 1 1 1 A 36 36 GLN C C 36 175.227 176.002 -0.775 1
1 354 . 1 1 1 A 36 36 GLN CA C 36 56.763 58.348 -1.585 1
1 355 . 1 1 1 A 36 36 GLN CB C 36 30.225 29.758 0.467 1
1 357 . 1 1 1 A 36 36 GLN N N 36 116.410 121.541 -5.131 1
1 359 . 1 1 1 A 37 37 SER H H 37 7.345 7.586 -0.241 1
1 360 . 1 1 1 A 37 37 SER HA H 37 4.569 3.510 1.059 1
1 363 . 1 1 1 A 37 37 SER C C 37 179.414 173.332 6.082 1
1 364 . 1 1 1 A 37 37 SER CA C 37 56.780 56.749 0.031 1
1 365 . 1 1 1 A 37 37 SER CB C 37 66.444 66.662 -0.218 1
1 366 . 1 1 1 A 37 37 SER N N 37 110.125 112.454 -2.329 1
1 367 . 1 1 1 A 38 38 THR H H 38 8.099 8.527 -0.428 1
1 368 . 1 1 1 A 38 38 THR HA H 38 3.627 3.824 -0.197 1
1 373 . 1 1 1 A 38 38 THR CA C 38 65.831 66.541 -0.710 1
1 374 . 1 1 1 A 38 38 THR CB C 38 68.118 68.857 -0.739 1
1 376 . 1 1 1 A 38 38 THR N N 38 121.696 116.255 5.441 1
1 377 . 1 1 1 A 39 39 ALA HA H 39 4.155 4.023 0.132 1
1 381 . 1 1 1 A 39 39 ALA C C 39 180.623 179.310 1.313 1
1 382 . 1 1 1 A 39 39 ALA CA C 39 55.406 55.439 -0.033 1
1 383 . 1 1 1 A 39 39 ALA CB C 39 18.098 18.638 -0.540 1
1 384 . 1 1 1 A 40 40 GLU H H 40 7.881 7.769 0.112 1
1 385 . 1 1 1 A 40 40 GLU HA H 40 4.114 4.168 -0.054 1
1 390 . 1 1 1 A 40 40 GLU C C 40 179.352 178.877 0.475 1
1 391 . 1 1 1 A 40 40 GLU CA C 40 58.914 59.075 -0.161 1
1 392 . 1 1 1 A 40 40 GLU CB C 40 30.822 29.618 1.204 1
1 394 . 1 1 1 A 40 40 GLU N N 40 118.475 117.854 0.621 1
1 395 . 1 1 1 A 41 41 LEU H H 41 8.096 8.049 0.047 1
1 396 . 1 1 1 A 41 41 LEU HA H 41 4.115 4.055 0.060 1
1 406 . 1 1 1 A 41 41 LEU C C 41 177.620 178.717 -1.097 1
1 407 . 1 1 1 A 41 41 LEU CA C 41 58.841 58.195 0.646 1
1 408 . 1 1 1 A 41 41 LEU CB C 41 41.442 41.544 -0.102 1
1 412 . 1 1 1 A 41 41 LEU N N 41 121.715 122.455 -0.740 1
1 413 . 1 1 1 A 42 42 THR H H 42 8.599 8.418 0.181 1
1 414 . 1 1 1 A 42 42 THR HA H 42 3.860 3.898 -0.038 1
1 419 . 1 1 1 A 42 42 THR C C 42 176.761 176.868 -0.107 1
1 420 . 1 1 1 A 42 42 THR CA C 42 67.345 66.398 0.947 1
1 421 . 1 1 1 A 42 42 THR CB C 42 68.758 68.592 0.166 1
1 423 . 1 1 1 A 42 42 THR N N 42 115.801 114.751 1.050 1
1 424 . 1 1 1 A 43 43 SER H H 43 7.833 7.951 -0.118 1
1 425 . 1 1 1 A 43 43 SER HA H 43 4.251 4.232 0.019 1
1 428 . 1 1 1 A 43 43 SER C C 43 176.836 176.720 0.116 1
1 429 . 1 1 1 A 43 43 SER CA C 43 61.646 61.366 0.280 1
1 430 . 1 1 1 A 43 43 SER CB C 43 62.750 62.666 0.084 1
1 431 . 1 1 1 A 43 43 SER N N 43 115.657 116.558 -0.901 1
1 432 . 1 1 1 A 44 44 HIS H H 44 8.415 8.544 -0.129 1
1 433 . 1 1 1 A 44 44 HIS HA H 44 4.182 4.037 0.145 1
1 438 . 1 1 1 A 44 44 HIS C C 44 177.125 176.730 0.395 1
1 439 . 1 1 1 A 44 44 HIS CA C 44 60.094 60.129 -0.035 1
1 440 . 1 1 1 A 44 44 HIS CB C 44 28.846 29.663 -0.817 1
1 443 . 1 1 1 A 44 44 HIS N N 44 122.271 121.428 0.843 1
1 444 . 1 1 1 A 45 45 LEU H H 45 8.854 8.844 0.010 1
1 445 . 1 1 1 A 45 45 LEU HA H 45 4.100 3.383 0.717 1
1 455 . 1 1 1 A 45 45 LEU C C 45 179.448 178.559 0.889 1
1 456 . 1 1 1 A 45 45 LEU CA C 45 58.297 58.032 0.265 1
1 457 . 1 1 1 A 45 45 LEU CB C 45 41.666 41.670 -0.004 1
1 461 . 1 1 1 A 45 45 LEU N N 45 118.289 119.440 -1.151 1
1 462 . 1 1 1 A 46 46 ASN H H 46 7.730 8.387 -0.657 1
1 463 . 1 1 1 A 46 46 ASN HA H 46 4.502 4.347 0.155 1
1 468 . 1 1 1 A 46 46 ASN C C 46 177.759 177.972 -0.213 1
1 469 . 1 1 1 A 46 46 ASN CA C 46 56.163 56.400 -0.237 1
1 470 . 1 1 1 A 46 46 ASN CB C 46 38.069 37.793 0.276 1
1 471 . 1 1 1 A 46 46 ASN N N 46 117.155 116.209 0.946 1
1 473 . 1 1 1 A 47 47 ILE H H 47 7.670 7.569 0.101 1
1 474 . 1 1 1 A 47 47 ILE HA H 47 3.787 3.969 -0.182 1
1 484 . 1 1 1 A 47 47 ILE C C 47 178.447 178.081 0.366 1
1 485 . 1 1 1 A 47 47 ILE CA C 47 64.273 65.182 -0.909 1
1 486 . 1 1 1 A 47 47 ILE CB C 47 37.214 37.881 -0.667 1
1 490 . 1 1 1 A 47 47 ILE N N 47 119.392 119.474 -0.082 1
1 491 . 1 1 1 A 48 48 HIS H H 48 6.999 8.371 -1.372 1
1 492 . 1 1 1 A 48 48 HIS HA H 48 4.437 4.219 0.218 1
1 497 . 1 1 1 A 48 48 HIS C C 48 175.932 177.755 -1.823 1
1 498 . 1 1 1 A 48 48 HIS CA C 48 56.855 59.755 -2.900 1
1 499 . 1 1 1 A 48 48 HIS CB C 48 27.971 29.816 -1.845 1
1 502 . 1 1 1 A 48 48 HIS N N 48 116.931 119.175 -2.244 1
1 503 . 1 1 1 A 49 49 ASN H H 49 8.059 7.938 0.121 1
1 504 . 1 1 1 A 49 49 ASN HA H 49 4.555 4.339 0.216 1
1 509 . 1 1 1 A 49 49 ASN C C 49 177.139 178.259 -1.120 1
1 510 . 1 1 1 A 49 49 ASN CA C 49 55.552 56.461 -0.909 1
1 511 . 1 1 1 A 49 49 ASN CB C 49 38.495 37.864 0.631 1
1 512 . 1 1 1 A 49 49 ASN N N 49 118.208 116.728 1.480 1
1 514 . 1 1 1 A 50 50 GLU H H 50 8.336 8.146 0.190 1
1 515 . 1 1 1 A 50 50 GLU HA H 50 4.090 4.033 0.057 1
1 520 . 1 1 1 A 50 50 GLU C C 50 178.637 179.354 -0.717 1
1 521 . 1 1 1 A 50 50 GLU CA C 50 59.246 59.669 -0.423 1
1 522 . 1 1 1 A 50 50 GLU CB C 50 29.582 29.526 0.056 1
1 524 . 1 1 1 A 50 50 GLU N N 50 121.316 119.001 2.315 1
1 525 . 1 1 1 A 51 51 GLU H H 51 7.932 8.605 -0.673 1
1 526 . 1 1 1 A 51 51 GLU HA H 51 4.093 4.097 -0.004 1
1 531 . 1 1 1 A 51 51 GLU C C 51 179.088 179.038 0.050 1
1 532 . 1 1 1 A 51 51 GLU CA C 51 59.037 59.072 -0.035 1
1 533 . 1 1 1 A 51 51 GLU CB C 51 29.183 29.478 -0.295 1
1 535 . 1 1 1 A 51 51 GLU N N 51 120.058 120.311 -0.253 1
1 536 . 1 1 1 A 52 52 PHE H H 52 8.345 8.811 -0.466 1
1 537 . 1 1 1 A 52 52 PHE HA H 52 4.411 4.135 0.276 1
1 545 . 1 1 1 A 52 52 PHE C C 52 178.654 177.448 1.206 1
1 546 . 1 1 1 A 52 52 PHE CA C 52 59.523 61.141 -1.618 1
1 547 . 1 1 1 A 52 52 PHE CB C 52 38.261 39.224 -0.963 1
1 553 . 1 1 1 A 52 52 PHE N N 52 119.698 122.555 -2.857 1
1 554 . 1 1 1 A 53 53 GLN H H 53 8.197 8.201 -0.004 1
1 555 . 1 1 1 A 53 53 GLN HA H 53 4.153 3.986 0.167 1
1 562 . 1 1 1 A 53 53 GLN C C 53 178.059 178.420 -0.361 1
1 563 . 1 1 1 A 53 53 GLN CA C 53 58.120 59.121 -1.001 1
1 564 . 1 1 1 A 53 53 GLN CB C 53 28.591 28.102 0.489 1
1 566 . 1 1 1 A 53 53 GLN N N 53 118.967 117.414 1.553 1
1 568 . 1 1 1 A 54 54 LYS H H 54 8.008 7.525 0.483 1
1 569 . 1 1 1 A 54 54 LYS HA H 54 4.118 3.988 0.130 1
1 577 . 1 1 1 A 54 54 LYS C C 54 178.686 178.639 0.047 1
1 578 . 1 1 1 A 54 54 LYS CA C 54 59.002 59.463 -0.461 1
1 579 . 1 1 1 A 54 54 LYS CB C 54 32.608 32.245 0.363 1
1 583 . 1 1 1 A 54 54 LYS N N 54 119.791 119.364 0.427 1
1 584 . 1 1 1 A 55 55 ARG H H 55 7.978 8.403 -0.425 1
1 585 . 1 1 1 A 55 55 ARG HA H 55 4.136 4.000 0.136 1
1 592 . 1 1 1 A 55 55 ARG C C 55 177.610 177.853 -0.243 1
1 593 . 1 1 1 A 55 55 ARG CA C 55 58.183 59.345 -1.162 1
1 594 . 1 1 1 A 55 55 ARG CB C 55 30.410 29.835 0.575 1
1 597 . 1 1 1 A 55 55 ARG N N 55 119.619 119.527 0.092 1
1 598 . 1 1 1 A 56 56 ALA H H 56 8.008 7.871 0.137 1
1 599 . 1 1 1 A 56 56 ALA HA H 56 4.196 4.070 0.126 1
1 603 . 1 1 1 A 56 56 ALA C C 56 179.269 176.282 2.987 1
1 604 . 1 1 1 A 56 56 ALA CA C 56 53.930 51.113 2.817 1
1 605 . 1 1 1 A 56 56 ALA CB C 56 18.539 17.393 1.146 1
1 606 . 1 1 1 A 56 56 ALA N N 56 122.850 120.505 2.345 1
1 607 . 1 1 1 A 57 57 LYS H H 57 8.014 8.334 -0.320 1
1 608 . 1 1 1 A 57 57 LYS HA H 57 4.225 4.598 -0.373 1
1 617 . 1 1 1 A 57 57 LYS C C 57 177.892 177.594 0.298 1
1 618 . 1 1 1 A 57 57 LYS CA C 57 57.504 54.545 2.959 1
1 619 . 1 1 1 A 57 57 LYS CB C 57 32.646 34.317 -1.671 1
1 623 . 1 1 1 A 57 57 LYS N N 57 118.986 121.920 -2.934 1
1 624 . 1 1 1 A 58 58 ARG H H 58 8.039 8.683 -0.644 1
1 625 . 1 1 1 A 58 58 ARG HA H 58 4.229 4.315 -0.086 1
1 632 . 1 1 1 A 58 58 ARG C C 58 177.156 176.259 0.897 1
1 633 . 1 1 1 A 58 58 ARG CA C 58 57.425 56.241 1.184 1
1 634 . 1 1 1 A 58 58 ARG CB C 58 30.561 29.685 0.876 1
1 637 . 1 1 1 A 58 58 ARG N N 58 120.747 120.949 -0.202 1
1 638 . 1 1 1 A 59 59 GLN H H 59 8.195 7.543 0.652 1
1 639 . 1 1 1 A 59 59 GLN HA H 59 4.228 4.326 -0.098 1
1 644 . 1 1 1 A 59 59 GLN CA C 59 57.412 56.092 1.320 1
1 645 . 1 1 1 A 59 59 GLN CB C 59 32.773 29.552 3.221 1
1 647 . 1 1 1 A 59 59 GLN N N 59 121.145 120.443 0.702 1
1 648 . 1 1 1 A 60 60 GLU HA H 60 4.256 4.575 -0.319 1
1 653 . 1 1 1 A 60 60 GLU CA C 60 56.093 57.485 -1.392 1
1 654 . 1 1 1 A 60 60 GLU CB C 60 29.429 31.308 -1.879 1
1 656 . 1 1 1 A 63 63 LYS HA H 63 4.263 5.029 -0.766 1
1 663 . 1 1 1 A 63 63 LYS CA C 63 56.908 54.673 2.235 1
1 664 . 1 1 1 A 63 63 LYS CB C 63 32.778 37.424 -4.646 1
1 665 . 1 1 1 A 64 64 GLN H H 64 8.261 8.808 -0.547 1
1 666 . 1 1 1 A 64 64 GLN HA H 64 4.253 5.059 -0.806 1
1 673 . 1 1 1 A 64 64 GLN C C 64 176.687 174.652 2.035 1
1 674 . 1 1 1 A 64 64 GLN CA C 64 56.780 54.220 2.560 1
1 675 . 1 1 1 A 64 64 GLN CB C 64 29.198 32.461 -3.263 1
1 677 . 1 1 1 A 64 64 GLN N N 64 120.299 118.261 2.038 1
1 679 . 1 1 1 A 65 65 LEU H H 65 8.190 8.507 -0.317 1
1 680 . 1 1 1 A 65 65 LEU HA H 65 4.306 4.300 0.006 1
1 690 . 1 1 1 A 65 65 LEU C C 65 177.894 176.259 1.635 1
1 691 . 1 1 1 A 65 65 LEU CA C 65 55.952 54.326 1.626 1
1 692 . 1 1 1 A 65 65 LEU CB C 65 42.313 43.351 -1.038 1
1 696 . 1 1 1 A 65 65 LEU N N 65 122.723 120.779 1.944 1
1 697 . 1 1 1 A 66 66 LEU H H 66 8.165 8.303 -0.138 1
1 698 . 1 1 1 A 66 66 LEU HA H 66 4.305 4.995 -0.690 1
1 708 . 1 1 1 A 66 66 LEU C C 66 177.867 176.061 1.806 1
1 709 . 1 1 1 A 66 66 LEU CA C 66 55.775 53.175 2.600 1
1 710 . 1 1 1 A 66 66 LEU CB C 66 42.336 44.807 -2.471 1
1 714 . 1 1 1 A 66 66 LEU N N 66 121.812 120.820 0.992 1
1 715 . 1 1 1 A 67 67 SER H H 67 8.104 8.686 -0.582 1
1 716 . 1 1 1 A 67 67 SER CA C 67 58.896 56.924 1.972 1
1 717 . 1 1 1 A 67 67 SER CB C 67 63.674 63.773 -0.099 1
1 718 . 1 1 1 A 67 67 SER N N 67 115.632 116.877 -1.245 1
1 719 . 1 1 1 A 69 69 GLN HA H 69 4.221 4.879 -0.658 1
1 724 . 1 1 1 A 69 69 GLN CA C 69 57.547 54.819 2.728 1
1 725 . 1 1 1 A 69 69 GLN CB C 69 30.314 32.108 -1.794 1
1 727 . 1 1 1 A 70 70 LYS H H 70 8.255 8.759 -0.504 1
1 728 . 1 1 1 A 70 70 LYS HA H 70 4.220 5.138 -0.918 1
1 737 . 1 1 1 A 70 70 LYS C C 70 176.303 175.235 1.068 1
1 738 . 1 1 1 A 70 70 LYS CA C 70 56.639 55.081 1.558 1
1 739 . 1 1 1 A 70 70 LYS CB C 70 33.080 35.412 -2.332 1
1 743 . 1 1 1 A 70 70 LYS N N 70 121.417 126.639 -5.222 1
1 744 . 1 1 1 A 71 71 TYR H H 71 8.142 8.902 -0.760 1
1 745 . 1 1 1 A 71 71 TYR HA H 71 4.571 5.173 -0.602 1
1 752 . 1 1 1 A 71 71 TYR C C 71 175.736 172.207 3.529 1
1 753 . 1 1 1 A 71 71 TYR CA C 71 57.768 56.507 1.261 1
1 754 . 1 1 1 A 71 71 TYR CB C 71 38.894 40.210 -1.316 1
1 759 . 1 1 1 A 71 71 TYR N N 71 120.561 117.622 2.939 1
1 760 . 1 1 1 A 72 72 ALA H H 72 8.237 8.646 -0.409 1
1 761 . 1 1 1 A 72 72 ALA HA H 72 4.292 4.567 -0.275 1
1 765 . 1 1 1 A 72 72 ALA C C 72 177.276 177.692 -0.416 1
1 766 . 1 1 1 A 72 72 ALA CA C 72 52.642 50.033 2.609 1
1 767 . 1 1 1 A 72 72 ALA CB C 72 19.405 21.201 -1.796 1
1 768 . 1 1 1 A 72 72 ALA N N 72 125.192 124.503 0.689 1
1 769 . 1 1 1 A 73 73 ASP H H 73 8.220 8.359 -0.139 1
1 770 . 1 1 1 A 73 73 ASP HA H 73 4.549 4.686 -0.137 1
1 773 . 1 1 1 A 73 73 ASP C C 73 176.922 176.577 0.345 1
1 774 . 1 1 1 A 73 73 ASP CA C 73 54.682 54.743 -0.061 1
1 775 . 1 1 1 A 73 73 ASP CB C 73 41.239 41.863 -0.624 1
1 776 . 1 1 1 A 73 73 ASP N N 73 119.269 120.336 -1.067 1
1 777 . 1 1 1 A 74 74 GLY H H 74 8.269 7.878 0.391 1
1 778 . 1 1 1 A 74 74 GLY HA2 H 74 3.963 4.095 -0.132 1
1 779 . 1 1 1 A 74 74 GLY HA3 H 74 3.879 4.124 -0.245 1
1 780 . 1 1 1 A 74 74 GLY C C 74 174.132 175.140 -1.008 1
1 781 . 1 1 1 A 74 74 GLY CA C 74 45.551 44.777 0.774 1
1 782 . 1 1 1 A 74 74 GLY N N 74 109.209 107.771 1.438 1
1 783 . 1 1 1 A 75 75 ALA H H 75 8.048 8.522 -0.474 1
1 784 . 1 1 1 A 75 75 ALA HA H 75 4.221 4.100 0.121 1
1 788 . 1 1 1 A 75 75 ALA C C 75 177.507 178.420 -0.913 1
1 789 . 1 1 1 A 75 75 ALA CA C 75 52.638 55.097 -2.459 1
1 790 . 1 1 1 A 75 75 ALA CB C 75 19.281 18.762 0.519 1
1 791 . 1 1 1 A 75 75 ALA N N 75 123.382 124.502 -1.120 1
1 792 . 1 1 1 A 76 76 PHE H H 76 8.126 7.760 0.366 1
1 793 . 1 1 1 A 76 76 PHE HA H 76 4.541 4.515 0.026 1
1 798 . 1 1 1 A 76 76 PHE C C 76 175.620 175.548 0.072 1
1 799 . 1 1 1 A 76 76 PHE CA C 76 57.733 59.005 -1.272 1
1 800 . 1 1 1 A 76 76 PHE CB C 76 39.429 39.870 -0.441 1
1 801 . 1 1 1 A 76 76 PHE N N 76 118.540 118.475 0.065 1
1 802 . 1 1 1 A 77 77 ALA H H 77 8.017 8.001 0.016 1
1 803 . 1 1 1 A 77 77 ALA HA H 77 4.207 4.298 -0.091 1
1 807 . 1 1 1 A 77 77 ALA C C 77 176.990 177.346 -0.356 1
1 808 . 1 1 1 A 77 77 ALA CA C 77 52.602 52.904 -0.302 1
1 809 . 1 1 1 A 77 77 ALA CB C 77 19.528 18.632 0.896 1
1 810 . 1 1 1 A 77 77 ALA N N 77 124.826 128.011 -3.185 1
1 811 . 1 1 1 A 78 78 ASP H H 78 8.061 8.752 -0.691 1
1 812 . 1 1 1 A 78 78 ASP HA H 78 4.538 5.244 -0.706 1
1 815 . 1 1 1 A 78 78 ASP C C 78 175.908 174.104 1.804 1
1 816 . 1 1 1 A 78 78 ASP CA C 78 54.189 54.145 0.044 1
1 817 . 1 1 1 A 78 78 ASP CB C 78 41.242 44.682 -3.440 1
1 818 . 1 1 1 A 78 78 ASP N N 78 119.019 123.210 -4.191 1
1 819 . 1 1 1 A 79 79 PHE H H 79 8.023 8.893 -0.870 1
1 820 . 1 1 1 A 79 79 PHE HA H 79 4.586 5.243 -0.657 1
1 825 . 1 1 1 A 79 79 PHE C C 79 175.551 173.573 1.978 1
1 826 . 1 1 1 A 79 79 PHE CA C 79 57.891 57.280 0.611 1
1 827 . 1 1 1 A 79 79 PHE CB C 79 39.484 42.622 -3.138 1
1 828 . 1 1 1 A 79 79 PHE N N 79 120.449 125.605 -5.156 1
1 829 . 1 1 1 A 80 80 LYS H H 80 8.161 8.219 -0.058 1
1 830 . 1 1 1 A 80 80 LYS HA H 80 4.251 4.334 -0.083 1
1 836 . 1 1 1 A 80 80 LYS C C 80 176.027 176.634 -0.607 1
1 837 . 1 1 1 A 80 80 LYS CA C 80 56.233 53.918 2.315 1
1 838 . 1 1 1 A 80 80 LYS CB C 80 33.084 35.525 -2.441 1
1 842 . 1 1 1 A 80 80 LYS N N 80 123.309 126.807 -3.498 1
1 843 . 1 1 1 A 81 81 GLN H H 81 8.329 8.742 -0.413 1
1 844 . 1 1 1 A 81 81 GLN HA H 81 4.284 3.832 0.452 1
1 851 . 1 1 1 A 81 81 GLN C C 81 176.009 175.889 0.120 1
1 852 . 1 1 1 A 81 81 GLN CA C 81 55.952 59.620 -3.668 1
1 853 . 1 1 1 A 81 81 GLN CB C 81 29.623 28.345 1.278 1
1 855 . 1 1 1 A 81 81 GLN N N 81 121.944 121.623 0.321 1
1 857 . 1 1 1 A 82 82 GLU H H 82 8.542 8.020 0.522 1
1 858 . 1 1 1 A 82 82 GLU HA H 82 4.350 3.975 0.375 1
1 862 . 1 1 1 A 82 82 GLU C C 82 176.509 176.304 0.205 1
1 863 . 1 1 1 A 82 82 GLU CA C 82 56.675 57.221 -0.546 1
1 864 . 1 1 1 A 82 82 GLU CB C 82 30.447 28.137 2.310 1
1 866 . 1 1 1 A 82 82 GLU N N 82 122.687 119.683 3.004 1
1 867 . 1 1 1 A 83 83 SER H H 83 8.418 7.813 0.605 1
1 868 . 1 1 1 A 83 83 SER HA H 83 4.516 4.381 0.135 1
1 871 . 1 1 1 A 83 83 SER C C 83 174.538 174.994 -0.456 1
1 872 . 1 1 1 A 83 83 SER CA C 83 58.403 59.078 -0.675 1
1 873 . 1 1 1 A 83 83 SER CB C 83 64.018 63.470 0.548 1
1 874 . 1 1 1 A 83 83 SER N N 83 116.897 113.727 3.170 1
1 875 . 1 1 1 A 84 84 GLY H H 84 8.276 8.605 -0.329 1
1 876 . 1 1 1 A 84 84 GLY C C 84 171.814 172.992 -1.178 1
1 877 . 1 1 1 A 84 84 GLY CA C 84 44.722 44.242 0.480 1
1 878 . 1 1 1 A 84 84 GLY N N 84 110.673 110.440 0.233 1
1 879 . 1 1 1 A 85 85 PRO HA H 85 4.497 4.461 0.036 1
1 885 . 1 1 1 A 85 85 PRO C C 85 177.204 176.891 0.313 1
1 886 . 1 1 1 A 85 85 PRO CA C 85 63.290 62.936 0.354 1
1 887 . 1 1 1 A 85 85 PRO CB C 85 32.228 32.382 -0.154 1
1 890 . 1 1 1 A 86 86 SER H H 86 8.331 8.353 -0.022 1
1 891 . 1 1 1 A 86 86 SER HA H 86 4.339 4.534 -0.195 1
1 892 . 1 1 1 A 86 86 SER C C 86 174.935 175.636 -0.701 1
1 893 . 1 1 1 A 86 86 SER CA C 86 61.769 57.992 3.777 1
1 894 . 1 1 1 A 86 86 SER CB C 86 69.836 62.180 7.656 1
1 895 . 1 1 1 A 86 86 SER N N 86 114.681 116.754 -2.073 1
1 896 . 1 1 1 A 87 87 SER H H 87 8.121 8.214 -0.093 1
1 897 . 1 1 1 A 87 87 SER CA C 87 61.963 60.370 1.593 1
1 898 . 1 1 1 A 87 87 SER CB C 87 69.818 63.916 5.902 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.975 4.415 -0.440 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.975 4.416 -0.441 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.115 172.202 1.913 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.392 45.380 0.012 1
1 5 . 2 1 1 A 8 8 LEU H H 8 8.037 8.751 -0.714 1
1 6 . 2 1 1 A 8 8 LEU HA H 8 4.347 5.079 -0.732 1
1 16 . 2 1 1 A 8 8 LEU C C 8 177.426 174.852 2.574 1
1 17 . 2 1 1 A 8 8 LEU CA C 8 55.352 53.549 1.803 1
1 18 . 2 1 1 A 8 8 LEU CB C 8 42.478 45.376 -2.898 1
1 22 . 2 1 1 A 8 8 LEU N N 8 121.686 118.485 3.201 1
1 23 . 2 1 1 A 9 9 LYS H H 9 8.309 8.732 -0.423 1
1 24 . 2 1 1 A 9 9 LYS HA H 9 4.319 5.146 -0.827 1
1 29 . 2 1 1 A 9 9 LYS CA C 9 56.195 55.085 1.110 1
1 30 . 2 1 1 A 9 9 LYS CB C 9 32.820 36.488 -3.668 1
1 34 . 2 1 1 A 9 9 LYS N N 9 122.335 118.969 3.366 1
1 35 . 2 1 1 A 10 10 ARG HA H 10 4.306 5.027 -0.721 1
1 42 . 2 1 1 A 10 10 ARG C C 10 175.845 174.555 1.290 1
1 43 . 2 1 1 A 10 10 ARG CA C 10 56.146 53.943 2.203 1
1 44 . 2 1 1 A 10 10 ARG CB C 10 31.005 35.005 -4.000 1
1 47 . 2 1 1 A 11 11 ASP H H 11 8.293 9.015 -0.722 1
1 48 . 2 1 1 A 11 11 ASP HA H 11 4.582 5.455 -0.873 1
1 51 . 2 1 1 A 11 11 ASP C C 11 175.382 174.453 0.929 1
1 52 . 2 1 1 A 11 11 ASP CA C 11 54.612 52.515 2.097 1
1 53 . 2 1 1 A 11 11 ASP CB C 11 41.572 44.848 -3.276 1
1 54 . 2 1 1 A 11 11 ASP N N 11 120.563 118.324 2.239 1
1 55 . 2 1 1 A 12 12 PHE H H 12 7.961 8.407 -0.446 1
1 56 . 2 1 1 A 12 12 PHE HA H 12 4.758 5.611 -0.853 1
1 63 . 2 1 1 A 12 12 PHE C C 12 175.068 172.925 2.143 1
1 64 . 2 1 1 A 12 12 PHE CA C 12 58.990 55.444 3.546 1
1 65 . 2 1 1 A 12 12 PHE CB C 12 40.037 41.789 -1.752 1
1 70 . 2 1 1 A 12 12 PHE N N 12 118.808 115.903 2.905 1
1 71 . 2 1 1 A 13 13 ILE H H 13 8.167 8.892 -0.725 1
1 72 . 2 1 1 A 13 13 ILE HA H 13 4.167 5.067 -0.900 1
1 82 . 2 1 1 A 13 13 ILE C C 13 175.712 174.766 0.946 1
1 83 . 2 1 1 A 13 13 ILE CA C 13 60.976 59.181 1.795 1
1 84 . 2 1 1 A 13 13 ILE CB C 13 39.277 42.358 -3.081 1
1 88 . 2 1 1 A 13 13 ILE N N 13 122.190 116.085 6.105 1
1 89 . 2 1 1 A 14 14 ILE H H 14 8.287 8.754 -0.467 1
1 90 . 2 1 1 A 14 14 ILE HA H 14 4.163 4.834 -0.671 1
1 100 . 2 1 1 A 14 14 ILE C C 14 176.116 174.785 1.331 1
1 101 . 2 1 1 A 14 14 ILE CA C 14 61.142 59.713 1.429 1
1 102 . 2 1 1 A 14 14 ILE CB C 14 38.438 42.396 -3.958 1
1 106 . 2 1 1 A 14 14 ILE N N 14 125.550 121.939 3.611 1
1 107 . 2 1 1 A 15 15 LEU H H 15 8.398 8.851 -0.453 1
1 108 . 2 1 1 A 15 15 LEU HA H 15 4.397 5.305 -0.908 1
1 118 . 2 1 1 A 15 15 LEU C C 15 177.749 176.283 1.466 1
1 119 . 2 1 1 A 15 15 LEU CA C 15 55.123 53.023 2.100 1
1 120 . 2 1 1 A 15 15 LEU CB C 15 42.560 46.032 -3.472 1
1 124 . 2 1 1 A 15 15 LEU N N 15 127.408 126.703 0.705 1
1 125 . 2 1 1 A 16 16 GLY H H 16 8.347 8.357 -0.010 1
1 126 . 2 1 1 A 16 16 GLY HA2 H 16 3.964 4.405 -0.441 1
1 127 . 2 1 1 A 16 16 GLY HA3 H 16 3.964 4.405 -0.441 1
1 128 . 2 1 1 A 16 16 GLY C C 16 172.979 172.091 0.888 1
1 129 . 2 1 1 A 16 16 GLY CA C 16 45.286 45.182 0.104 1
1 130 . 2 1 1 A 16 16 GLY N N 16 109.546 109.140 0.406 1
1 131 . 2 1 1 A 17 17 ASN H H 17 7.974 8.772 -0.798 1
1 132 . 2 1 1 A 17 17 ASN HA H 17 4.577 5.657 -1.080 1
1 137 . 2 1 1 A 17 17 ASN C C 17 175.869 174.279 1.590 1
1 138 . 2 1 1 A 17 17 ASN CA C 17 54.665 51.572 3.093 1
1 139 . 2 1 1 A 17 17 ASN CB C 17 40.830 43.050 -2.220 1
1 140 . 2 1 1 A 17 17 ASN N N 17 124.057 118.399 5.658 1
1 142 . 2 1 1 A 18 18 GLY H H 18 8.150 8.626 -0.476 1
1 143 . 2 1 1 A 18 18 GLY HA2 H 18 4.073 4.352 -0.279 1
1 144 . 2 1 1 A 18 18 GLY HA3 H 18 4.073 4.352 -0.279 1
1 145 . 2 1 1 A 18 18 GLY C C 18 172.372 171.527 0.845 1
1 146 . 2 1 1 A 18 18 GLY CA C 18 44.898 44.364 0.534 1
1 147 . 2 1 1 A 18 18 GLY N N 18 113.988 109.080 4.908 1
1 148 . 2 1 1 A 19 19 PRO HA H 19 4.441 4.595 -0.154 1
1 155 . 2 1 1 A 19 19 PRO C C 19 177.039 175.302 1.737 1
1 156 . 2 1 1 A 19 19 PRO CA C 19 63.268 62.873 0.395 1
1 157 . 2 1 1 A 19 19 PRO CB C 19 32.159 33.077 -0.918 1
1 160 . 2 1 1 A 20 20 ARG H H 20 8.414 8.410 0.004 1
1 161 . 2 1 1 A 20 20 ARG HA H 20 4.339 4.683 -0.344 1
1 167 . 2 1 1 A 20 20 ARG C C 20 176.312 175.197 1.115 1
1 168 . 2 1 1 A 20 20 ARG CA C 20 56.111 54.106 2.005 1
1 169 . 2 1 1 A 20 20 ARG CB C 20 30.612 34.274 -3.662 1
1 172 . 2 1 1 A 20 20 ARG N N 20 120.839 120.556 0.283 1
1 173 . 2 1 1 A 21 21 LEU H H 21 8.306 8.327 -0.021 1
1 174 . 2 1 1 A 21 21 LEU HA H 21 4.405 4.321 0.084 1
1 183 . 2 1 1 A 21 21 LEU C C 21 177.403 175.749 1.654 1
1 184 . 2 1 1 A 21 21 LEU CA C 21 55.141 56.152 -1.011 1
1 185 . 2 1 1 A 21 21 LEU CB C 21 42.190 42.926 -0.736 1
1 189 . 2 1 1 A 21 21 LEU N N 21 123.561 125.074 -1.513 1
1 190 . 2 1 1 A 22 22 GLN H H 22 8.406 8.223 0.183 1
1 191 . 2 1 1 A 22 22 GLN HA H 22 4.336 4.505 -0.169 1
1 198 . 2 1 1 A 22 22 GLN C C 22 175.699 175.119 0.580 1
1 199 . 2 1 1 A 22 22 GLN CA C 22 56.181 54.784 1.397 1
1 200 . 2 1 1 A 22 22 GLN CB C 22 29.492 29.903 -0.411 1
1 202 . 2 1 1 A 22 22 GLN N N 22 120.835 123.589 -2.754 1
1 204 . 2 1 1 A 24 24 SER HA H 24 4.451 4.542 -0.091 1
1 207 . 2 1 1 A 24 24 SER C C 24 173.514 174.762 -1.248 1
1 208 . 2 1 1 A 24 24 SER CA C 24 58.579 57.697 0.882 1
1 209 . 2 1 1 A 24 24 SER CB C 24 63.967 62.773 1.194 1
1 210 . 2 1 1 A 25 25 THR H H 25 7.806 7.476 0.330 1
1 211 . 2 1 1 A 25 25 THR HA H 25 4.348 4.794 -0.446 1
1 216 . 2 1 1 A 25 25 THR C C 25 173.359 174.348 -0.989 1
1 217 . 2 1 1 A 25 25 THR CA C 25 61.593 62.545 -0.952 1
1 218 . 2 1 1 A 25 25 THR CB C 25 70.716 69.715 1.001 1
1 220 . 2 1 1 A 25 25 THR N N 25 114.185 114.878 -0.693 1
1 221 . 2 1 1 A 26 26 TYR H H 26 8.598 9.410 -0.812 1
1 222 . 2 1 1 A 26 26 TYR HA H 26 4.670 4.825 -0.155 1
1 229 . 2 1 1 A 26 26 TYR C C 26 174.444 175.137 -0.693 1
1 230 . 2 1 1 A 26 26 TYR CA C 26 56.798 58.087 -1.289 1
1 231 . 2 1 1 A 26 26 TYR CB C 26 39.717 38.856 0.861 1
1 236 . 2 1 1 A 26 26 TYR N N 26 121.326 124.139 -2.813 1
1 237 . 2 1 1 A 27 27 GLN H H 27 8.528 8.649 -0.121 1
1 238 . 2 1 1 A 27 27 GLN HA H 27 4.670 4.891 -0.221 1
1 245 . 2 1 1 A 27 27 GLN C C 27 175.055 175.040 0.015 1
1 246 . 2 1 1 A 27 27 GLN CA C 27 54.718 54.414 0.304 1
1 247 . 2 1 1 A 27 27 GLN CB C 27 30.938 28.483 2.455 1
1 249 . 2 1 1 A 27 27 GLN N N 27 123.045 124.590 -1.545 1
1 251 . 2 1 1 A 28 28 CYS H H 28 8.682 8.263 0.419 1
1 252 . 2 1 1 A 28 28 CYS HA H 28 4.331 4.431 -0.100 1
1 255 . 2 1 1 A 28 28 CYS C C 28 176.610 176.821 -0.211 1
1 256 . 2 1 1 A 28 28 CYS CA C 28 60.394 60.145 0.249 1
1 257 . 2 1 1 A 28 28 CYS CB C 28 29.850 29.002 0.848 1
1 258 . 2 1 1 A 28 28 CYS N N 28 129.276 126.198 3.078 1
1 259 . 2 1 1 A 29 29 LYS H H 29 8.454 8.756 -0.302 1
1 260 . 2 1 1 A 29 29 LYS HA H 29 4.257 4.256 0.001 1
1 269 . 2 1 1 A 29 29 LYS C C 29 176.581 175.699 0.882 1
1 270 . 2 1 1 A 29 29 LYS CA C 29 57.584 57.688 -0.104 1
1 271 . 2 1 1 A 29 29 LYS CB C 29 32.145 31.773 0.372 1
1 275 . 2 1 1 A 29 29 LYS N N 29 127.445 124.030 3.415 1
1 276 . 2 1 1 A 30 30 HIS H H 30 9.625 8.097 1.528 1
1 277 . 2 1 1 A 30 30 HIS HA H 30 4.608 4.566 0.042 1
1 281 . 2 1 1 A 30 30 HIS C C 30 175.524 176.549 -1.025 1
1 282 . 2 1 1 A 30 30 HIS CA C 30 56.956 57.332 -0.376 1
1 283 . 2 1 1 A 30 30 HIS CB C 30 30.732 31.355 -0.623 1
1 285 . 2 1 1 A 30 30 HIS N N 30 121.657 116.644 5.013 1
1 286 . 2 1 1 A 31 31 CYS H H 31 8.086 8.152 -0.066 1
1 287 . 2 1 1 A 31 31 CYS HA H 31 5.078 4.595 0.483 1
1 290 . 2 1 1 A 31 31 CYS C C 31 173.769 174.151 -0.382 1
1 291 . 2 1 1 A 31 31 CYS CA C 31 58.349 58.294 0.055 1
1 292 . 2 1 1 A 31 31 CYS CB C 31 31.268 29.533 1.735 1
1 293 . 2 1 1 A 31 31 CYS N N 31 118.457 113.196 5.261 1
1 294 . 2 1 1 A 32 32 ASP H H 32 8.135 8.147 -0.012 1
1 295 . 2 1 1 A 32 32 ASP HA H 32 4.637 4.570 0.067 1
1 298 . 2 1 1 A 32 32 ASP C C 32 176.540 175.091 1.449 1
1 299 . 2 1 1 A 32 32 ASP CA C 32 55.687 55.568 0.119 1
1 300 . 2 1 1 A 32 32 ASP CB C 32 40.418 39.090 1.328 1
1 301 . 2 1 1 A 32 32 ASP N N 32 116.820 117.755 -0.935 1
1 302 . 2 1 1 A 33 33 SER H H 33 8.667 7.995 0.672 1
1 303 . 2 1 1 A 33 33 SER HA H 33 4.267 4.695 -0.428 1
1 306 . 2 1 1 A 33 33 SER C C 33 172.462 172.868 -0.406 1
1 307 . 2 1 1 A 33 33 SER CA C 33 61.452 58.319 3.133 1
1 308 . 2 1 1 A 33 33 SER CB C 33 63.893 65.068 -1.175 1
1 309 . 2 1 1 A 33 33 SER N N 33 119.488 113.283 6.205 1
1 310 . 2 1 1 A 34 34 LYS H H 34 8.389 8.396 -0.007 1
1 311 . 2 1 1 A 34 34 LYS HA H 34 4.747 5.364 -0.617 1
1 320 . 2 1 1 A 34 34 LYS C C 34 175.517 175.157 0.360 1
1 321 . 2 1 1 A 34 34 LYS CA C 34 55.476 54.722 0.754 1
1 322 . 2 1 1 A 34 34 LYS CB C 34 33.526 35.311 -1.785 1
1 326 . 2 1 1 A 34 34 LYS N N 34 122.954 119.795 3.159 1
1 327 . 2 1 1 A 35 35 LEU H H 35 8.825 8.756 0.069 1
1 328 . 2 1 1 A 35 35 LEU HA H 35 4.847 4.843 0.004 1
1 338 . 2 1 1 A 35 35 LEU C C 35 177.476 177.027 0.449 1
1 339 . 2 1 1 A 35 35 LEU CA C 35 52.673 53.270 -0.597 1
1 340 . 2 1 1 A 35 35 LEU CB C 35 42.115 44.965 -2.850 1
1 344 . 2 1 1 A 35 35 LEU N N 35 126.489 126.067 0.422 1
1 345 . 2 1 1 A 36 36 GLN H H 36 8.883 8.659 0.224 1
1 346 . 2 1 1 A 36 36 GLN HA H 36 4.565 4.227 0.338 1
1 353 . 2 1 1 A 36 36 GLN C C 36 175.227 175.737 -0.510 1
1 354 . 2 1 1 A 36 36 GLN CA C 36 56.763 58.036 -1.273 1
1 355 . 2 1 1 A 36 36 GLN CB C 36 30.225 29.839 0.386 1
1 357 . 2 1 1 A 36 36 GLN N N 36 116.410 120.744 -4.334 1
1 359 . 2 1 1 A 37 37 SER H H 37 7.345 7.478 -0.133 1
1 360 . 2 1 1 A 37 37 SER HA H 37 4.569 3.964 0.605 1
1 363 . 2 1 1 A 37 37 SER C C 37 179.414 173.200 6.214 1
1 364 . 2 1 1 A 37 37 SER CA C 37 56.780 56.208 0.572 1
1 365 . 2 1 1 A 37 37 SER CB C 37 66.444 64.915 1.529 1
1 366 . 2 1 1 A 37 37 SER N N 37 110.125 110.193 -0.068 1
1 367 . 2 1 1 A 38 38 THR H H 38 8.099 8.289 -0.190 1
1 368 . 2 1 1 A 38 38 THR HA H 38 3.627 3.595 0.032 1
1 373 . 2 1 1 A 38 38 THR CA C 38 65.831 66.421 -0.590 1
1 374 . 2 1 1 A 38 38 THR CB C 38 68.118 68.750 -0.632 1
1 376 . 2 1 1 A 38 38 THR N N 38 121.696 119.082 2.614 1
1 377 . 2 1 1 A 39 39 ALA HA H 39 4.155 4.024 0.131 1
1 381 . 2 1 1 A 39 39 ALA C C 39 180.623 179.339 1.284 1
1 382 . 2 1 1 A 39 39 ALA CA C 39 55.406 55.334 0.072 1
1 383 . 2 1 1 A 39 39 ALA CB C 39 18.098 18.659 -0.561 1
1 384 . 2 1 1 A 40 40 GLU H H 40 7.881 8.031 -0.150 1
1 385 . 2 1 1 A 40 40 GLU HA H 40 4.114 4.108 0.006 1
1 390 . 2 1 1 A 40 40 GLU C C 40 179.352 178.905 0.447 1
1 391 . 2 1 1 A 40 40 GLU CA C 40 58.914 59.141 -0.227 1
1 392 . 2 1 1 A 40 40 GLU CB C 40 30.822 29.799 1.023 1
1 394 . 2 1 1 A 40 40 GLU N N 40 118.475 117.981 0.494 1
1 395 . 2 1 1 A 41 41 LEU H H 41 8.096 7.911 0.185 1
1 396 . 2 1 1 A 41 41 LEU HA H 41 4.115 4.071 0.044 1
1 406 . 2 1 1 A 41 41 LEU C C 41 177.620 178.787 -1.167 1
1 407 . 2 1 1 A 41 41 LEU CA C 41 58.841 58.216 0.625 1
1 408 . 2 1 1 A 41 41 LEU CB C 41 41.442 41.633 -0.191 1
1 412 . 2 1 1 A 41 41 LEU N N 41 121.715 121.900 -0.185 1
1 413 . 2 1 1 A 42 42 THR H H 42 8.599 8.328 0.271 1
1 414 . 2 1 1 A 42 42 THR HA H 42 3.860 3.882 -0.022 1
1 419 . 2 1 1 A 42 42 THR C C 42 176.761 176.270 0.491 1
1 420 . 2 1 1 A 42 42 THR CA C 42 67.345 66.125 1.220 1
1 421 . 2 1 1 A 42 42 THR CB C 42 68.758 68.875 -0.117 1
1 423 . 2 1 1 A 42 42 THR N N 42 115.801 114.716 1.085 1
1 424 . 2 1 1 A 43 43 SER H H 43 7.833 8.019 -0.186 1
1 425 . 2 1 1 A 43 43 SER HA H 43 4.251 4.300 -0.049 1
1 428 . 2 1 1 A 43 43 SER C C 43 176.836 176.399 0.437 1
1 429 . 2 1 1 A 43 43 SER CA C 43 61.646 61.729 -0.083 1
1 430 . 2 1 1 A 43 43 SER CB C 43 62.750 63.450 -0.700 1
1 431 . 2 1 1 A 43 43 SER N N 43 115.657 117.541 -1.884 1
1 432 . 2 1 1 A 44 44 HIS H H 44 8.415 8.250 0.165 1
1 433 . 2 1 1 A 44 44 HIS HA H 44 4.182 4.195 -0.013 1
1 438 . 2 1 1 A 44 44 HIS C C 44 177.125 176.941 0.184 1
1 439 . 2 1 1 A 44 44 HIS CA C 44 60.094 59.964 0.130 1
1 440 . 2 1 1 A 44 44 HIS CB C 44 28.846 30.121 -1.275 1
1 443 . 2 1 1 A 44 44 HIS N N 44 122.271 122.269 0.002 1
1 444 . 2 1 1 A 45 45 LEU H H 45 8.854 8.806 0.048 1
1 445 . 2 1 1 A 45 45 LEU HA H 45 4.100 3.693 0.407 1
1 455 . 2 1 1 A 45 45 LEU C C 45 179.448 178.843 0.605 1
1 456 . 2 1 1 A 45 45 LEU CA C 45 58.297 58.307 -0.010 1
1 457 . 2 1 1 A 45 45 LEU CB C 45 41.666 41.085 0.581 1
1 461 . 2 1 1 A 45 45 LEU N N 45 118.289 120.013 -1.724 1
1 462 . 2 1 1 A 46 46 ASN H H 46 7.730 8.152 -0.422 1
1 463 . 2 1 1 A 46 46 ASN HA H 46 4.502 4.412 0.090 1
1 468 . 2 1 1 A 46 46 ASN C C 46 177.759 177.912 -0.153 1
1 469 . 2 1 1 A 46 46 ASN CA C 46 56.163 56.398 -0.235 1
1 470 . 2 1 1 A 46 46 ASN CB C 46 38.069 38.012 0.057 1
1 471 . 2 1 1 A 46 46 ASN N N 46 117.155 116.981 0.174 1
1 473 . 2 1 1 A 47 47 ILE H H 47 7.670 8.257 -0.587 1
1 474 . 2 1 1 A 47 47 ILE HA H 47 3.787 3.928 -0.141 1
1 484 . 2 1 1 A 47 47 ILE C C 47 178.447 178.339 0.108 1
1 485 . 2 1 1 A 47 47 ILE CA C 47 64.273 65.173 -0.900 1
1 486 . 2 1 1 A 47 47 ILE CB C 47 37.214 37.499 -0.285 1
1 490 . 2 1 1 A 47 47 ILE N N 47 119.392 119.502 -0.110 1
1 491 . 2 1 1 A 48 48 HIS H H 48 6.999 7.869 -0.870 1
1 492 . 2 1 1 A 48 48 HIS HA H 48 4.437 4.290 0.147 1
1 497 . 2 1 1 A 48 48 HIS C C 48 175.932 177.757 -1.825 1
1 498 . 2 1 1 A 48 48 HIS CA C 48 56.855 59.431 -2.576 1
1 499 . 2 1 1 A 48 48 HIS CB C 48 27.971 29.557 -1.586 1
1 502 . 2 1 1 A 48 48 HIS N N 48 116.931 119.185 -2.254 1
1 503 . 2 1 1 A 49 49 ASN H H 49 8.059 8.128 -0.069 1
1 504 . 2 1 1 A 49 49 ASN HA H 49 4.555 4.266 0.289 1
1 509 . 2 1 1 A 49 49 ASN C C 49 177.139 177.655 -0.516 1
1 510 . 2 1 1 A 49 49 ASN CA C 49 55.552 56.467 -0.915 1
1 511 . 2 1 1 A 49 49 ASN CB C 49 38.495 37.687 0.808 1
1 512 . 2 1 1 A 49 49 ASN N N 49 118.208 117.671 0.537 1
1 514 . 2 1 1 A 50 50 GLU H H 50 8.336 8.729 -0.393 1
1 515 . 2 1 1 A 50 50 GLU HA H 50 4.090 4.045 0.045 1
1 520 . 2 1 1 A 50 50 GLU C C 50 178.637 178.719 -0.082 1
1 521 . 2 1 1 A 50 50 GLU CA C 50 59.246 59.443 -0.197 1
1 522 . 2 1 1 A 50 50 GLU CB C 50 29.582 29.165 0.417 1
1 524 . 2 1 1 A 50 50 GLU N N 50 121.316 117.647 3.669 1
1 525 . 2 1 1 A 51 51 GLU H H 51 7.932 7.821 0.111 1
1 526 . 2 1 1 A 51 51 GLU HA H 51 4.093 4.035 0.058 1
1 531 . 2 1 1 A 51 51 GLU C C 51 179.088 178.919 0.169 1
1 532 . 2 1 1 A 51 51 GLU CA C 51 59.037 59.062 -0.025 1
1 533 . 2 1 1 A 51 51 GLU CB C 51 29.183 29.484 -0.301 1
1 535 . 2 1 1 A 51 51 GLU N N 51 120.058 120.231 -0.173 1
1 536 . 2 1 1 A 52 52 PHE H H 52 8.345 8.702 -0.357 1
1 537 . 2 1 1 A 52 52 PHE HA H 52 4.411 4.087 0.324 1
1 545 . 2 1 1 A 52 52 PHE C C 52 178.654 177.162 1.492 1
1 546 . 2 1 1 A 52 52 PHE CA C 52 59.523 61.746 -2.223 1
1 547 . 2 1 1 A 52 52 PHE CB C 52 38.261 39.403 -1.142 1
1 553 . 2 1 1 A 52 52 PHE N N 52 119.698 121.533 -1.835 1
1 554 . 2 1 1 A 53 53 GLN H H 53 8.197 7.758 0.439 1
1 555 . 2 1 1 A 53 53 GLN HA H 53 4.153 3.787 0.366 1
1 562 . 2 1 1 A 53 53 GLN C C 53 178.059 178.011 0.048 1
1 563 . 2 1 1 A 53 53 GLN CA C 53 58.120 59.326 -1.206 1
1 564 . 2 1 1 A 53 53 GLN CB C 53 28.591 28.328 0.263 1
1 566 . 2 1 1 A 53 53 GLN N N 53 118.967 118.577 0.390 1
1 568 . 2 1 1 A 54 54 LYS H H 54 8.008 7.879 0.129 1
1 569 . 2 1 1 A 54 54 LYS HA H 54 4.118 3.939 0.179 1
1 577 . 2 1 1 A 54 54 LYS C C 54 178.686 178.620 0.066 1
1 578 . 2 1 1 A 54 54 LYS CA C 54 59.002 59.587 -0.585 1
1 579 . 2 1 1 A 54 54 LYS CB C 54 32.608 32.342 0.266 1
1 583 . 2 1 1 A 54 54 LYS N N 54 119.791 120.613 -0.822 1
1 584 . 2 1 1 A 55 55 ARG H H 55 7.978 7.754 0.224 1
1 585 . 2 1 1 A 55 55 ARG HA H 55 4.136 3.979 0.157 1
1 592 . 2 1 1 A 55 55 ARG C C 55 177.610 178.117 -0.507 1
1 593 . 2 1 1 A 55 55 ARG CA C 55 58.183 59.579 -1.396 1
1 594 . 2 1 1 A 55 55 ARG CB C 55 30.410 29.927 0.483 1
1 597 . 2 1 1 A 55 55 ARG N N 55 119.619 119.471 0.148 1
1 598 . 2 1 1 A 56 56 ALA H H 56 8.008 7.776 0.232 1
1 599 . 2 1 1 A 56 56 ALA HA H 56 4.196 3.994 0.202 1
1 603 . 2 1 1 A 56 56 ALA C C 56 179.269 178.599 0.670 1
1 604 . 2 1 1 A 56 56 ALA CA C 56 53.930 55.207 -1.277 1
1 605 . 2 1 1 A 56 56 ALA CB C 56 18.539 18.812 -0.273 1
1 606 . 2 1 1 A 56 56 ALA N N 56 122.850 120.328 2.522 1
1 607 . 2 1 1 A 57 57 LYS H H 57 8.014 7.919 0.095 1
1 608 . 2 1 1 A 57 57 LYS HA H 57 4.225 4.186 0.039 1
1 617 . 2 1 1 A 57 57 LYS C C 57 177.892 176.134 1.758 1
1 618 . 2 1 1 A 57 57 LYS CA C 57 57.504 57.361 0.143 1
1 619 . 2 1 1 A 57 57 LYS CB C 57 32.646 32.805 -0.159 1
1 623 . 2 1 1 A 57 57 LYS N N 57 118.986 117.939 1.047 1
1 624 . 2 1 1 A 58 58 ARG H H 58 8.039 8.673 -0.634 1
1 625 . 2 1 1 A 58 58 ARG HA H 58 4.229 5.344 -1.115 1
1 632 . 2 1 1 A 58 58 ARG C C 58 177.156 174.918 2.238 1
1 633 . 2 1 1 A 58 58 ARG CA C 58 57.425 53.706 3.719 1
1 634 . 2 1 1 A 58 58 ARG CB C 58 30.561 34.729 -4.168 1
1 637 . 2 1 1 A 58 58 ARG N N 58 120.747 120.775 -0.028 1
1 638 . 2 1 1 A 59 59 GLN H H 59 8.195 8.652 -0.457 1
1 639 . 2 1 1 A 59 59 GLN HA H 59 4.228 4.681 -0.453 1
1 644 . 2 1 1 A 59 59 GLN CA C 59 57.412 55.745 1.667 1
1 645 . 2 1 1 A 59 59 GLN CB C 59 32.773 32.761 0.012 1
1 647 . 2 1 1 A 59 59 GLN N N 59 121.145 118.677 2.468 1
1 648 . 2 1 1 A 60 60 GLU HA H 60 4.256 4.597 -0.341 1
1 653 . 2 1 1 A 60 60 GLU CA C 60 56.093 55.742 0.351 1
1 654 . 2 1 1 A 60 60 GLU CB C 60 29.429 29.049 0.380 1
1 656 . 2 1 1 A 63 63 LYS HA H 63 4.263 5.091 -0.828 1
1 663 . 2 1 1 A 63 63 LYS CA C 63 56.908 54.203 2.705 1
1 664 . 2 1 1 A 63 63 LYS CB C 63 32.778 36.105 -3.327 1
1 665 . 2 1 1 A 64 64 GLN H H 64 8.261 8.419 -0.158 1
1 666 . 2 1 1 A 64 64 GLN HA H 64 4.253 4.398 -0.145 1
1 673 . 2 1 1 A 64 64 GLN C C 64 176.687 175.318 1.369 1
1 674 . 2 1 1 A 64 64 GLN CA C 64 56.780 56.403 0.377 1
1 675 . 2 1 1 A 64 64 GLN CB C 64 29.198 29.948 -0.750 1
1 677 . 2 1 1 A 64 64 GLN N N 64 120.299 124.118 -3.819 1
1 679 . 2 1 1 A 65 65 LEU H H 65 8.190 8.348 -0.158 1
1 680 . 2 1 1 A 65 65 LEU HA H 65 4.306 5.114 -0.808 1
1 690 . 2 1 1 A 65 65 LEU C C 65 177.894 175.697 2.197 1
1 691 . 2 1 1 A 65 65 LEU CA C 65 55.952 53.366 2.586 1
1 692 . 2 1 1 A 65 65 LEU CB C 65 42.313 45.949 -3.636 1
1 696 . 2 1 1 A 65 65 LEU N N 65 122.723 120.759 1.964 1
1 697 . 2 1 1 A 66 66 LEU H H 66 8.165 8.700 -0.535 1
1 698 . 2 1 1 A 66 66 LEU HA H 66 4.305 5.300 -0.995 1
1 708 . 2 1 1 A 66 66 LEU C C 66 177.867 175.344 2.523 1
1 709 . 2 1 1 A 66 66 LEU CA C 66 55.775 53.348 2.427 1
1 710 . 2 1 1 A 66 66 LEU CB C 66 42.336 46.607 -4.271 1
1 714 . 2 1 1 A 66 66 LEU N N 66 121.812 117.914 3.898 1
1 715 . 2 1 1 A 67 67 SER H H 67 8.104 8.838 -0.734 1
1 716 . 2 1 1 A 67 67 SER CA C 67 58.896 57.498 1.398 1
1 717 . 2 1 1 A 67 67 SER CB C 67 63.674 67.642 -3.968 1
1 718 . 2 1 1 A 67 67 SER N N 67 115.632 114.922 0.710 1
1 719 . 2 1 1 A 69 69 GLN HA H 69 4.221 4.771 -0.550 1
1 724 . 2 1 1 A 69 69 GLN CA C 69 57.547 54.666 2.881 1
1 725 . 2 1 1 A 69 69 GLN CB C 69 30.314 33.596 -3.282 1
1 727 . 2 1 1 A 70 70 LYS H H 70 8.255 8.477 -0.222 1
1 728 . 2 1 1 A 70 70 LYS HA H 70 4.220 5.183 -0.963 1
1 737 . 2 1 1 A 70 70 LYS C C 70 176.303 173.857 2.446 1
1 738 . 2 1 1 A 70 70 LYS CA C 70 56.639 54.012 2.627 1
1 739 . 2 1 1 A 70 70 LYS CB C 70 33.080 37.066 -3.986 1
1 743 . 2 1 1 A 70 70 LYS N N 70 121.417 117.924 3.493 1
1 744 . 2 1 1 A 71 71 TYR H H 71 8.142 8.808 -0.666 1
1 745 . 2 1 1 A 71 71 TYR HA H 71 4.571 5.255 -0.684 1
1 752 . 2 1 1 A 71 71 TYR C C 71 175.736 174.423 1.313 1
1 753 . 2 1 1 A 71 71 TYR CA C 71 57.768 56.441 1.327 1
1 754 . 2 1 1 A 71 71 TYR CB C 71 38.894 43.879 -4.985 1
1 759 . 2 1 1 A 71 71 TYR N N 71 120.561 117.505 3.056 1
1 760 . 2 1 1 A 72 72 ALA H H 72 8.237 8.772 -0.535 1
1 761 . 2 1 1 A 72 72 ALA HA H 72 4.292 5.126 -0.834 1
1 765 . 2 1 1 A 72 72 ALA C C 72 177.276 175.465 1.811 1
1 766 . 2 1 1 A 72 72 ALA CA C 72 52.642 51.318 1.324 1
1 767 . 2 1 1 A 72 72 ALA CB C 72 19.405 24.006 -4.601 1
1 768 . 2 1 1 A 72 72 ALA N N 72 125.192 122.413 2.779 1
1 769 . 2 1 1 A 73 73 ASP H H 73 8.220 8.854 -0.634 1
1 770 . 2 1 1 A 73 73 ASP HA H 73 4.549 5.079 -0.530 1
1 773 . 2 1 1 A 73 73 ASP C C 73 176.922 174.746 2.176 1
1 774 . 2 1 1 A 73 73 ASP CA C 73 54.682 53.571 1.111 1
1 775 . 2 1 1 A 73 73 ASP CB C 73 41.239 44.457 -3.218 1
1 776 . 2 1 1 A 73 73 ASP N N 73 119.269 117.690 1.579 1
1 777 . 2 1 1 A 74 74 GLY H H 74 8.269 8.505 -0.236 1
1 778 . 2 1 1 A 74 74 GLY HA2 H 74 3.963 4.187 -0.224 1
1 779 . 2 1 1 A 74 74 GLY HA3 H 74 3.879 4.196 -0.317 1
1 780 . 2 1 1 A 74 74 GLY C C 74 174.132 172.327 1.805 1
1 781 . 2 1 1 A 74 74 GLY CA C 74 45.551 45.546 0.005 1
1 782 . 2 1 1 A 74 74 GLY N N 74 109.209 109.698 -0.489 1
1 783 . 2 1 1 A 75 75 ALA H H 75 8.048 8.623 -0.575 1
1 784 . 2 1 1 A 75 75 ALA HA H 75 4.221 5.031 -0.810 1
1 788 . 2 1 1 A 75 75 ALA C C 75 177.507 175.689 1.818 1
1 789 . 2 1 1 A 75 75 ALA CA C 75 52.638 51.604 1.034 1
1 790 . 2 1 1 A 75 75 ALA CB C 75 19.281 23.304 -4.023 1
1 791 . 2 1 1 A 75 75 ALA N N 75 123.382 125.913 -2.531 1
1 792 . 2 1 1 A 76 76 PHE H H 76 8.126 8.819 -0.693 1
1 793 . 2 1 1 A 76 76 PHE HA H 76 4.541 4.913 -0.372 1
1 798 . 2 1 1 A 76 76 PHE C C 76 175.620 173.193 2.427 1
1 799 . 2 1 1 A 76 76 PHE CA C 76 57.733 58.277 -0.544 1
1 800 . 2 1 1 A 76 76 PHE CB C 76 39.429 41.933 -2.504 1
1 801 . 2 1 1 A 76 76 PHE N N 76 118.540 120.566 -2.026 1
1 802 . 2 1 1 A 77 77 ALA H H 77 8.017 7.946 0.071 1
1 803 . 2 1 1 A 77 77 ALA HA H 77 4.207 4.906 -0.699 1
1 807 . 2 1 1 A 77 77 ALA C C 77 176.990 175.070 1.920 1
1 808 . 2 1 1 A 77 77 ALA CA C 77 52.602 51.453 1.149 1
1 809 . 2 1 1 A 77 77 ALA CB C 77 19.528 23.218 -3.690 1
1 810 . 2 1 1 A 77 77 ALA N N 77 124.826 125.349 -0.523 1
1 811 . 2 1 1 A 78 78 ASP H H 78 8.061 8.868 -0.807 1
1 812 . 2 1 1 A 78 78 ASP HA H 78 4.538 5.214 -0.676 1
1 815 . 2 1 1 A 78 78 ASP C C 78 175.908 174.720 1.188 1
1 816 . 2 1 1 A 78 78 ASP CA C 78 54.189 53.207 0.982 1
1 817 . 2 1 1 A 78 78 ASP CB C 78 41.242 44.571 -3.329 1
1 818 . 2 1 1 A 78 78 ASP N N 78 119.019 116.172 2.847 1
1 819 . 2 1 1 A 79 79 PHE H H 79 8.023 8.414 -0.391 1
1 820 . 2 1 1 A 79 79 PHE HA H 79 4.586 5.315 -0.729 1
1 825 . 2 1 1 A 79 79 PHE C C 79 175.551 172.843 2.708 1
1 826 . 2 1 1 A 79 79 PHE CA C 79 57.891 56.183 1.708 1
1 827 . 2 1 1 A 79 79 PHE CB C 79 39.484 41.458 -1.974 1
1 828 . 2 1 1 A 79 79 PHE N N 79 120.449 116.514 3.935 1
1 829 . 2 1 1 A 80 80 LYS H H 80 8.161 8.675 -0.514 1
1 830 . 2 1 1 A 80 80 LYS HA H 80 4.251 5.038 -0.787 1
1 836 . 2 1 1 A 80 80 LYS C C 80 176.027 175.233 0.794 1
1 837 . 2 1 1 A 80 80 LYS CA C 80 56.233 54.115 2.118 1
1 838 . 2 1 1 A 80 80 LYS CB C 80 33.084 36.976 -3.892 1
1 842 . 2 1 1 A 80 80 LYS N N 80 123.309 118.856 4.453 1
1 843 . 2 1 1 A 81 81 GLN H H 81 8.329 8.635 -0.306 1
1 844 . 2 1 1 A 81 81 GLN HA H 81 4.284 5.071 -0.787 1
1 851 . 2 1 1 A 81 81 GLN C C 81 176.009 174.433 1.576 1
1 852 . 2 1 1 A 81 81 GLN CA C 81 55.952 53.686 2.266 1
1 853 . 2 1 1 A 81 81 GLN CB C 81 29.623 31.190 -1.567 1
1 855 . 2 1 1 A 81 81 GLN N N 81 121.944 117.956 3.988 1
1 857 . 2 1 1 A 82 82 GLU H H 82 8.542 8.885 -0.343 1
1 858 . 2 1 1 A 82 82 GLU HA H 82 4.350 5.088 -0.738 1
1 862 . 2 1 1 A 82 82 GLU C C 82 176.509 175.301 1.208 1
1 863 . 2 1 1 A 82 82 GLU CA C 82 56.675 54.294 2.381 1
1 864 . 2 1 1 A 82 82 GLU CB C 82 30.447 33.336 -2.889 1
1 866 . 2 1 1 A 82 82 GLU N N 82 122.687 118.718 3.969 1
1 867 . 2 1 1 A 83 83 SER H H 83 8.418 8.708 -0.290 1
1 868 . 2 1 1 A 83 83 SER HA H 83 4.516 5.049 -0.533 1
1 871 . 2 1 1 A 83 83 SER C C 83 174.538 174.742 -0.204 1
1 872 . 2 1 1 A 83 83 SER CA C 83 58.403 57.512 0.891 1
1 873 . 2 1 1 A 83 83 SER CB C 83 64.018 65.089 -1.071 1
1 874 . 2 1 1 A 83 83 SER N N 83 116.897 117.905 -1.008 1
1 875 . 2 1 1 A 84 84 GLY H H 84 8.276 8.415 -0.139 1
1 876 . 2 1 1 A 84 84 GLY C C 84 171.814 173.429 -1.615 1
1 877 . 2 1 1 A 84 84 GLY CA C 84 44.722 44.619 0.103 1
1 878 . 2 1 1 A 84 84 GLY N N 84 110.673 109.246 1.427 1
1 879 . 2 1 1 A 85 85 PRO HA H 85 4.497 4.589 -0.092 1
1 885 . 2 1 1 A 85 85 PRO C C 85 177.204 177.206 -0.002 1
1 886 . 2 1 1 A 85 85 PRO CA C 85 63.290 62.472 0.818 1
1 887 . 2 1 1 A 85 85 PRO CB C 85 32.228 33.094 -0.866 1
1 890 . 2 1 1 A 86 86 SER H H 86 8.331 9.000 -0.669 1
1 891 . 2 1 1 A 86 86 SER HA H 86 4.339 4.144 0.195 1
1 892 . 2 1 1 A 86 86 SER C C 86 174.935 174.415 0.520 1
1 893 . 2 1 1 A 86 86 SER CA C 86 61.769 61.473 0.296 1
1 894 . 2 1 1 A 86 86 SER CB C 86 69.836 63.046 6.790 1
1 895 . 2 1 1 A 86 86 SER N N 86 114.681 117.783 -3.102 1
1 896 . 2 1 1 A 87 87 SER H H 87 8.121 8.042 0.079 1
1 897 . 2 1 1 A 87 87 SER CA C 87 61.963 58.917 3.046 1
1 898 . 2 1 1 A 87 87 SER CB C 87 69.818 61.630 8.188 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.975 4.373 -0.398 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.975 4.374 -0.399 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.115 172.287 1.828 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.392 45.419 -0.027 1
1 5 . 3 1 1 A 8 8 LEU H H 8 8.037 8.530 -0.493 1
1 6 . 3 1 1 A 8 8 LEU HA H 8 4.347 4.958 -0.611 1
1 16 . 3 1 1 A 8 8 LEU C C 8 177.426 174.495 2.931 1
1 17 . 3 1 1 A 8 8 LEU CA C 8 55.352 54.426 0.926 1
1 18 . 3 1 1 A 8 8 LEU CB C 8 42.478 45.810 -3.332 1
1 22 . 3 1 1 A 8 8 LEU N N 8 121.686 120.538 1.148 1
1 23 . 3 1 1 A 9 9 LYS H H 9 8.309 8.709 -0.400 1
1 24 . 3 1 1 A 9 9 LYS HA H 9 4.319 4.981 -0.662 1
1 29 . 3 1 1 A 9 9 LYS CA C 9 56.195 54.665 1.530 1
1 30 . 3 1 1 A 9 9 LYS CB C 9 32.820 35.156 -2.336 1
1 34 . 3 1 1 A 9 9 LYS N N 9 122.335 126.888 -4.553 1
1 35 . 3 1 1 A 10 10 ARG HA H 10 4.306 5.042 -0.736 1
1 42 . 3 1 1 A 10 10 ARG C C 10 175.845 173.700 2.145 1
1 43 . 3 1 1 A 10 10 ARG CA C 10 56.146 55.149 0.997 1
1 44 . 3 1 1 A 10 10 ARG CB C 10 31.005 33.857 -2.852 1
1 47 . 3 1 1 A 11 11 ASP H H 11 8.293 9.084 -0.791 1
1 48 . 3 1 1 A 11 11 ASP HA H 11 4.582 5.247 -0.665 1
1 51 . 3 1 1 A 11 11 ASP C C 11 175.382 175.385 -0.003 1
1 52 . 3 1 1 A 11 11 ASP CA C 11 54.612 53.317 1.295 1
1 53 . 3 1 1 A 11 11 ASP CB C 11 41.572 41.934 -0.362 1
1 54 . 3 1 1 A 11 11 ASP N N 11 120.563 126.231 -5.668 1
1 55 . 3 1 1 A 12 12 PHE H H 12 7.961 8.875 -0.914 1
1 56 . 3 1 1 A 12 12 PHE HA H 12 4.758 5.027 -0.269 1
1 63 . 3 1 1 A 12 12 PHE C C 12 175.068 174.718 0.350 1
1 64 . 3 1 1 A 12 12 PHE CA C 12 58.990 56.637 2.353 1
1 65 . 3 1 1 A 12 12 PHE CB C 12 40.037 41.437 -1.400 1
1 70 . 3 1 1 A 12 12 PHE N N 12 118.808 120.590 -1.782 1
1 71 . 3 1 1 A 13 13 ILE H H 13 8.167 8.719 -0.552 1
1 72 . 3 1 1 A 13 13 ILE HA H 13 4.167 4.442 -0.275 1
1 82 . 3 1 1 A 13 13 ILE C C 13 175.712 175.781 -0.069 1
1 83 . 3 1 1 A 13 13 ILE CA C 13 60.976 61.271 -0.295 1
1 84 . 3 1 1 A 13 13 ILE CB C 13 39.277 39.757 -0.480 1
1 88 . 3 1 1 A 13 13 ILE N N 13 122.190 124.776 -2.586 1
1 89 . 3 1 1 A 14 14 ILE H H 14 8.287 7.894 0.393 1
1 90 . 3 1 1 A 14 14 ILE HA H 14 4.163 3.718 0.445 1
1 100 . 3 1 1 A 14 14 ILE C C 14 176.116 174.523 1.593 1
1 101 . 3 1 1 A 14 14 ILE CA C 14 61.142 62.447 -1.305 1
1 102 . 3 1 1 A 14 14 ILE CB C 14 38.438 36.742 1.696 1
1 106 . 3 1 1 A 14 14 ILE N N 14 125.550 121.555 3.995 1
1 107 . 3 1 1 A 15 15 LEU H H 15 8.398 7.754 0.644 1
1 108 . 3 1 1 A 15 15 LEU HA H 15 4.397 4.615 -0.218 1
1 118 . 3 1 1 A 15 15 LEU C C 15 177.749 176.746 1.003 1
1 119 . 3 1 1 A 15 15 LEU CA C 15 55.123 53.872 1.251 1
1 120 . 3 1 1 A 15 15 LEU CB C 15 42.560 42.806 -0.246 1
1 124 . 3 1 1 A 15 15 LEU N N 15 127.408 119.625 7.783 1
1 125 . 3 1 1 A 16 16 GLY H H 16 8.347 8.350 -0.003 1
1 126 . 3 1 1 A 16 16 GLY HA2 H 16 3.964 4.132 -0.168 1
1 127 . 3 1 1 A 16 16 GLY HA3 H 16 3.964 4.135 -0.171 1
1 128 . 3 1 1 A 16 16 GLY C C 16 172.979 172.063 0.916 1
1 129 . 3 1 1 A 16 16 GLY CA C 16 45.286 45.550 -0.264 1
1 130 . 3 1 1 A 16 16 GLY N N 16 109.546 107.084 2.462 1
1 131 . 3 1 1 A 17 17 ASN H H 17 7.974 8.467 -0.493 1
1 132 . 3 1 1 A 17 17 ASN HA H 17 4.577 5.507 -0.930 1
1 137 . 3 1 1 A 17 17 ASN C C 17 175.869 175.403 0.466 1
1 138 . 3 1 1 A 17 17 ASN CA C 17 54.665 52.221 2.444 1
1 139 . 3 1 1 A 17 17 ASN CB C 17 40.830 40.992 -0.162 1
1 140 . 3 1 1 A 17 17 ASN N N 17 124.057 123.771 0.286 1
1 142 . 3 1 1 A 18 18 GLY H H 18 8.150 8.224 -0.074 1
1 143 . 3 1 1 A 18 18 GLY HA2 H 18 4.073 4.230 -0.157 1
1 144 . 3 1 1 A 18 18 GLY HA3 H 18 4.073 4.231 -0.158 1
1 145 . 3 1 1 A 18 18 GLY C C 18 172.372 170.482 1.890 1
1 146 . 3 1 1 A 18 18 GLY CA C 18 44.898 45.259 -0.361 1
1 147 . 3 1 1 A 18 18 GLY N N 18 113.988 108.499 5.489 1
1 148 . 3 1 1 A 19 19 PRO HA H 19 4.441 4.654 -0.213 1
1 155 . 3 1 1 A 19 19 PRO C C 19 177.039 175.111 1.928 1
1 156 . 3 1 1 A 19 19 PRO CA C 19 63.268 62.876 0.392 1
1 157 . 3 1 1 A 19 19 PRO CB C 19 32.159 32.610 -0.451 1
1 160 . 3 1 1 A 20 20 ARG H H 20 8.414 8.662 -0.248 1
1 161 . 3 1 1 A 20 20 ARG HA H 20 4.339 4.737 -0.398 1
1 167 . 3 1 1 A 20 20 ARG C C 20 176.312 175.304 1.008 1
1 168 . 3 1 1 A 20 20 ARG CA C 20 56.111 55.087 1.024 1
1 169 . 3 1 1 A 20 20 ARG CB C 20 30.612 32.382 -1.770 1
1 172 . 3 1 1 A 20 20 ARG N N 20 120.839 122.315 -1.476 1
1 173 . 3 1 1 A 21 21 LEU H H 21 8.306 9.016 -0.710 1
1 174 . 3 1 1 A 21 21 LEU HA H 21 4.405 4.038 0.367 1
1 183 . 3 1 1 A 21 21 LEU C C 21 177.403 177.523 -0.120 1
1 184 . 3 1 1 A 21 21 LEU CA C 21 55.141 55.867 -0.726 1
1 185 . 3 1 1 A 21 21 LEU CB C 21 42.190 40.249 1.941 1
1 189 . 3 1 1 A 21 21 LEU N N 21 123.561 127.477 -3.916 1
1 190 . 3 1 1 A 22 22 GLN H H 22 8.406 8.064 0.342 1
1 191 . 3 1 1 A 22 22 GLN HA H 22 4.336 4.121 0.215 1
1 198 . 3 1 1 A 22 22 GLN C C 22 175.699 176.035 -0.336 1
1 199 . 3 1 1 A 22 22 GLN CA C 22 56.181 58.594 -2.413 1
1 200 . 3 1 1 A 22 22 GLN CB C 22 29.492 28.235 1.257 1
1 202 . 3 1 1 A 22 22 GLN N N 22 120.835 117.176 3.659 1
1 204 . 3 1 1 A 24 24 SER HA H 24 4.451 4.483 -0.032 1
1 207 . 3 1 1 A 24 24 SER C C 24 173.514 174.825 -1.311 1
1 208 . 3 1 1 A 24 24 SER CA C 24 58.579 58.480 0.099 1
1 209 . 3 1 1 A 24 24 SER CB C 24 63.967 63.650 0.317 1
1 210 . 3 1 1 A 25 25 THR H H 25 7.806 8.842 -1.036 1
1 211 . 3 1 1 A 25 25 THR HA H 25 4.348 5.477 -1.129 1
1 216 . 3 1 1 A 25 25 THR C C 25 173.359 173.171 0.188 1
1 217 . 3 1 1 A 25 25 THR CA C 25 61.593 60.083 1.510 1
1 218 . 3 1 1 A 25 25 THR CB C 25 70.716 71.372 -0.656 1
1 220 . 3 1 1 A 25 25 THR N N 25 114.185 114.559 -0.374 1
1 221 . 3 1 1 A 26 26 TYR H H 26 8.598 9.749 -1.151 1
1 222 . 3 1 1 A 26 26 TYR HA H 26 4.670 5.004 -0.334 1
1 229 . 3 1 1 A 26 26 TYR C C 26 174.444 174.940 -0.496 1
1 230 . 3 1 1 A 26 26 TYR CA C 26 56.798 57.214 -0.416 1
1 231 . 3 1 1 A 26 26 TYR CB C 26 39.717 39.246 0.471 1
1 236 . 3 1 1 A 26 26 TYR N N 26 121.326 124.302 -2.976 1
1 237 . 3 1 1 A 27 27 GLN H H 27 8.528 8.682 -0.154 1
1 238 . 3 1 1 A 27 27 GLN HA H 27 4.670 4.580 0.090 1
1 245 . 3 1 1 A 27 27 GLN C C 27 175.055 175.122 -0.067 1
1 246 . 3 1 1 A 27 27 GLN CA C 27 54.718 55.010 -0.292 1
1 247 . 3 1 1 A 27 27 GLN CB C 27 30.938 28.935 2.003 1
1 249 . 3 1 1 A 27 27 GLN N N 27 123.045 124.627 -1.582 1
1 251 . 3 1 1 A 28 28 CYS H H 28 8.682 8.635 0.047 1
1 252 . 3 1 1 A 28 28 CYS HA H 28 4.331 4.559 -0.228 1
1 255 . 3 1 1 A 28 28 CYS C C 28 176.610 176.450 0.160 1
1 256 . 3 1 1 A 28 28 CYS CA C 28 60.394 59.403 0.991 1
1 257 . 3 1 1 A 28 28 CYS CB C 28 29.850 28.306 1.544 1
1 258 . 3 1 1 A 28 28 CYS N N 28 129.276 126.307 2.969 1
1 259 . 3 1 1 A 29 29 LYS H H 29 8.454 8.576 -0.122 1
1 260 . 3 1 1 A 29 29 LYS HA H 29 4.257 4.245 0.012 1
1 269 . 3 1 1 A 29 29 LYS C C 29 176.581 176.110 0.471 1
1 270 . 3 1 1 A 29 29 LYS CA C 29 57.584 57.879 -0.295 1
1 271 . 3 1 1 A 29 29 LYS CB C 29 32.145 31.593 0.552 1
1 275 . 3 1 1 A 29 29 LYS N N 29 127.445 124.180 3.265 1
1 276 . 3 1 1 A 30 30 HIS H H 30 9.625 8.302 1.323 1
1 277 . 3 1 1 A 30 30 HIS HA H 30 4.608 4.411 0.197 1
1 281 . 3 1 1 A 30 30 HIS C C 30 175.524 176.549 -1.025 1
1 282 . 3 1 1 A 30 30 HIS CA C 30 56.956 57.526 -0.570 1
1 283 . 3 1 1 A 30 30 HIS CB C 30 30.732 31.179 -0.447 1
1 285 . 3 1 1 A 30 30 HIS N N 30 121.657 116.787 4.870 1
1 286 . 3 1 1 A 31 31 CYS H H 31 8.086 8.014 0.072 1
1 287 . 3 1 1 A 31 31 CYS HA H 31 5.078 4.584 0.494 1
1 290 . 3 1 1 A 31 31 CYS C C 31 173.769 174.204 -0.435 1
1 291 . 3 1 1 A 31 31 CYS CA C 31 58.349 58.332 0.017 1
1 292 . 3 1 1 A 31 31 CYS CB C 31 31.268 29.318 1.950 1
1 293 . 3 1 1 A 31 31 CYS N N 31 118.457 113.473 4.984 1
1 294 . 3 1 1 A 32 32 ASP H H 32 8.135 8.180 -0.045 1
1 295 . 3 1 1 A 32 32 ASP HA H 32 4.637 4.459 0.178 1
1 298 . 3 1 1 A 32 32 ASP C C 32 176.540 174.714 1.826 1
1 299 . 3 1 1 A 32 32 ASP CA C 32 55.687 55.540 0.147 1
1 300 . 3 1 1 A 32 32 ASP CB C 32 40.418 39.056 1.362 1
1 301 . 3 1 1 A 32 32 ASP N N 32 116.820 118.003 -1.183 1
1 302 . 3 1 1 A 33 33 SER H H 33 8.667 7.869 0.798 1
1 303 . 3 1 1 A 33 33 SER HA H 33 4.267 4.765 -0.498 1
1 306 . 3 1 1 A 33 33 SER C C 33 172.462 172.600 -0.138 1
1 307 . 3 1 1 A 33 33 SER CA C 33 61.452 55.925 5.527 1
1 308 . 3 1 1 A 33 33 SER CB C 33 63.893 65.430 -1.537 1
1 309 . 3 1 1 A 33 33 SER N N 33 119.488 112.467 7.021 1
1 310 . 3 1 1 A 34 34 LYS H H 34 8.389 8.342 0.047 1
1 311 . 3 1 1 A 34 34 LYS HA H 34 4.747 5.411 -0.664 1
1 320 . 3 1 1 A 34 34 LYS C C 34 175.517 175.303 0.214 1
1 321 . 3 1 1 A 34 34 LYS CA C 34 55.476 54.611 0.865 1
1 322 . 3 1 1 A 34 34 LYS CB C 34 33.526 35.889 -2.363 1
1 326 . 3 1 1 A 34 34 LYS N N 34 122.954 121.231 1.723 1
1 327 . 3 1 1 A 35 35 LEU H H 35 8.825 8.756 0.069 1
1 328 . 3 1 1 A 35 35 LEU HA H 35 4.847 4.886 -0.039 1
1 338 . 3 1 1 A 35 35 LEU C C 35 177.476 177.109 0.367 1
1 339 . 3 1 1 A 35 35 LEU CA C 35 52.673 53.234 -0.561 1
1 340 . 3 1 1 A 35 35 LEU CB C 35 42.115 45.137 -3.022 1
1 344 . 3 1 1 A 35 35 LEU N N 35 126.489 125.025 1.464 1
1 345 . 3 1 1 A 36 36 GLN H H 36 8.883 8.553 0.330 1
1 346 . 3 1 1 A 36 36 GLN HA H 36 4.565 4.167 0.398 1
1 353 . 3 1 1 A 36 36 GLN C C 36 175.227 175.869 -0.642 1
1 354 . 3 1 1 A 36 36 GLN CA C 36 56.763 58.406 -1.643 1
1 355 . 3 1 1 A 36 36 GLN CB C 36 30.225 29.706 0.519 1
1 357 . 3 1 1 A 36 36 GLN N N 36 116.410 121.316 -4.906 1
1 359 . 3 1 1 A 37 37 SER H H 37 7.345 7.667 -0.322 1
1 360 . 3 1 1 A 37 37 SER HA H 37 4.569 3.688 0.881 1
1 363 . 3 1 1 A 37 37 SER C C 37 179.414 173.341 6.073 1
1 364 . 3 1 1 A 37 37 SER CA C 37 56.780 56.979 -0.199 1
1 365 . 3 1 1 A 37 37 SER CB C 37 66.444 66.238 0.206 1
1 366 . 3 1 1 A 37 37 SER N N 37 110.125 112.332 -2.207 1
1 367 . 3 1 1 A 38 38 THR H H 38 8.099 8.116 -0.017 1
1 368 . 3 1 1 A 38 38 THR HA H 38 3.627 3.678 -0.051 1
1 373 . 3 1 1 A 38 38 THR CA C 38 65.831 66.290 -0.459 1
1 374 . 3 1 1 A 38 38 THR CB C 38 68.118 68.791 -0.673 1
1 376 . 3 1 1 A 38 38 THR N N 38 121.696 115.976 5.720 1
1 377 . 3 1 1 A 39 39 ALA HA H 39 4.155 4.002 0.153 1
1 381 . 3 1 1 A 39 39 ALA C C 39 180.623 179.487 1.136 1
1 382 . 3 1 1 A 39 39 ALA CA C 39 55.406 55.331 0.075 1
1 383 . 3 1 1 A 39 39 ALA CB C 39 18.098 18.613 -0.515 1
1 384 . 3 1 1 A 40 40 GLU H H 40 7.881 8.041 -0.160 1
1 385 . 3 1 1 A 40 40 GLU HA H 40 4.114 4.172 -0.058 1
1 390 . 3 1 1 A 40 40 GLU C C 40 179.352 178.887 0.465 1
1 391 . 3 1 1 A 40 40 GLU CA C 40 58.914 59.071 -0.157 1
1 392 . 3 1 1 A 40 40 GLU CB C 40 30.822 29.765 1.057 1
1 394 . 3 1 1 A 40 40 GLU N N 40 118.475 117.836 0.639 1
1 395 . 3 1 1 A 41 41 LEU H H 41 8.096 7.858 0.238 1
1 396 . 3 1 1 A 41 41 LEU HA H 41 4.115 4.054 0.061 1
1 406 . 3 1 1 A 41 41 LEU C C 41 177.620 178.709 -1.089 1
1 407 . 3 1 1 A 41 41 LEU CA C 41 58.841 58.228 0.613 1
1 408 . 3 1 1 A 41 41 LEU CB C 41 41.442 41.636 -0.194 1
1 412 . 3 1 1 A 41 41 LEU N N 41 121.715 122.137 -0.422 1
1 413 . 3 1 1 A 42 42 THR H H 42 8.599 8.416 0.183 1
1 414 . 3 1 1 A 42 42 THR HA H 42 3.860 3.889 -0.029 1
1 419 . 3 1 1 A 42 42 THR C C 42 176.761 176.770 -0.009 1
1 420 . 3 1 1 A 42 42 THR CA C 42 67.345 66.530 0.815 1
1 421 . 3 1 1 A 42 42 THR CB C 42 68.758 68.768 -0.010 1
1 423 . 3 1 1 A 42 42 THR N N 42 115.801 114.577 1.224 1
1 424 . 3 1 1 A 43 43 SER H H 43 7.833 7.956 -0.123 1
1 425 . 3 1 1 A 43 43 SER HA H 43 4.251 4.241 0.010 1
1 428 . 3 1 1 A 43 43 SER C C 43 176.836 176.937 -0.101 1
1 429 . 3 1 1 A 43 43 SER CA C 43 61.646 61.259 0.387 1
1 430 . 3 1 1 A 43 43 SER CB C 43 62.750 62.623 0.127 1
1 431 . 3 1 1 A 43 43 SER N N 43 115.657 116.342 -0.685 1
1 432 . 3 1 1 A 44 44 HIS H H 44 8.415 8.336 0.079 1
1 433 . 3 1 1 A 44 44 HIS HA H 44 4.182 4.100 0.082 1
1 438 . 3 1 1 A 44 44 HIS C C 44 177.125 176.692 0.433 1
1 439 . 3 1 1 A 44 44 HIS CA C 44 60.094 60.066 0.028 1
1 440 . 3 1 1 A 44 44 HIS CB C 44 28.846 29.955 -1.109 1
1 443 . 3 1 1 A 44 44 HIS N N 44 122.271 121.835 0.436 1
1 444 . 3 1 1 A 45 45 LEU H H 45 8.854 8.764 0.090 1
1 445 . 3 1 1 A 45 45 LEU HA H 45 4.100 3.688 0.412 1
1 455 . 3 1 1 A 45 45 LEU C C 45 179.448 178.658 0.790 1
1 456 . 3 1 1 A 45 45 LEU CA C 45 58.297 58.307 -0.010 1
1 457 . 3 1 1 A 45 45 LEU CB C 45 41.666 41.233 0.433 1
1 461 . 3 1 1 A 45 45 LEU N N 45 118.289 120.133 -1.844 1
1 462 . 3 1 1 A 46 46 ASN H H 46 7.730 8.173 -0.443 1
1 463 . 3 1 1 A 46 46 ASN HA H 46 4.502 4.355 0.147 1
1 468 . 3 1 1 A 46 46 ASN C C 46 177.759 177.910 -0.151 1
1 469 . 3 1 1 A 46 46 ASN CA C 46 56.163 56.370 -0.207 1
1 470 . 3 1 1 A 46 46 ASN CB C 46 38.069 37.890 0.179 1
1 471 . 3 1 1 A 46 46 ASN N N 46 117.155 116.368 0.787 1
1 473 . 3 1 1 A 47 47 ILE H H 47 7.670 8.108 -0.438 1
1 474 . 3 1 1 A 47 47 ILE HA H 47 3.787 3.598 0.189 1
1 484 . 3 1 1 A 47 47 ILE C C 47 178.447 178.212 0.235 1
1 485 . 3 1 1 A 47 47 ILE CA C 47 64.273 65.297 -1.024 1
1 486 . 3 1 1 A 47 47 ILE CB C 47 37.214 37.797 -0.583 1
1 490 . 3 1 1 A 47 47 ILE N N 47 119.392 119.770 -0.378 1
1 491 . 3 1 1 A 48 48 HIS H H 48 6.999 8.070 -1.071 1
1 492 . 3 1 1 A 48 48 HIS HA H 48 4.437 4.270 0.167 1
1 497 . 3 1 1 A 48 48 HIS C C 48 175.932 177.850 -1.918 1
1 498 . 3 1 1 A 48 48 HIS CA C 48 56.855 59.885 -3.030 1
1 499 . 3 1 1 A 48 48 HIS CB C 48 27.971 29.855 -1.884 1
1 502 . 3 1 1 A 48 48 HIS N N 48 116.931 119.365 -2.434 1
1 503 . 3 1 1 A 49 49 ASN H H 49 8.059 8.171 -0.112 1
1 504 . 3 1 1 A 49 49 ASN HA H 49 4.555 4.332 0.223 1
1 509 . 3 1 1 A 49 49 ASN C C 49 177.139 178.328 -1.189 1
1 510 . 3 1 1 A 49 49 ASN CA C 49 55.552 56.543 -0.991 1
1 511 . 3 1 1 A 49 49 ASN CB C 49 38.495 37.905 0.590 1
1 512 . 3 1 1 A 49 49 ASN N N 49 118.208 117.335 0.873 1
1 514 . 3 1 1 A 50 50 GLU H H 50 8.336 8.324 0.012 1
1 515 . 3 1 1 A 50 50 GLU HA H 50 4.090 4.064 0.026 1
1 520 . 3 1 1 A 50 50 GLU C C 50 178.637 179.493 -0.856 1
1 521 . 3 1 1 A 50 50 GLU CA C 50 59.246 59.689 -0.443 1
1 522 . 3 1 1 A 50 50 GLU CB C 50 29.582 29.354 0.228 1
1 524 . 3 1 1 A 50 50 GLU N N 50 121.316 119.156 2.160 1
1 525 . 3 1 1 A 51 51 GLU H H 51 7.932 8.173 -0.241 1
1 526 . 3 1 1 A 51 51 GLU HA H 51 4.093 4.093 0.000 1
1 531 . 3 1 1 A 51 51 GLU C C 51 179.088 179.023 0.065 1
1 532 . 3 1 1 A 51 51 GLU CA C 51 59.037 59.103 -0.066 1
1 533 . 3 1 1 A 51 51 GLU CB C 51 29.183 29.579 -0.396 1
1 535 . 3 1 1 A 51 51 GLU N N 51 120.058 120.391 -0.333 1
1 536 . 3 1 1 A 52 52 PHE H H 52 8.345 8.843 -0.498 1
1 537 . 3 1 1 A 52 52 PHE HA H 52 4.411 4.190 0.221 1
1 545 . 3 1 1 A 52 52 PHE C C 52 178.654 177.848 0.806 1
1 546 . 3 1 1 A 52 52 PHE CA C 52 59.523 61.329 -1.806 1
1 547 . 3 1 1 A 52 52 PHE CB C 52 38.261 39.213 -0.952 1
1 553 . 3 1 1 A 52 52 PHE N N 52 119.698 121.521 -1.823 1
1 554 . 3 1 1 A 53 53 GLN H H 53 8.197 8.183 0.014 1
1 555 . 3 1 1 A 53 53 GLN HA H 53 4.153 3.844 0.309 1
1 562 . 3 1 1 A 53 53 GLN C C 53 178.059 178.893 -0.834 1
1 563 . 3 1 1 A 53 53 GLN CA C 53 58.120 59.499 -1.379 1
1 564 . 3 1 1 A 53 53 GLN CB C 53 28.591 28.723 -0.132 1
1 566 . 3 1 1 A 53 53 GLN N N 53 118.967 118.513 0.454 1
1 568 . 3 1 1 A 54 54 LYS H H 54 8.008 7.940 0.068 1
1 569 . 3 1 1 A 54 54 LYS HA H 54 4.118 4.048 0.070 1
1 577 . 3 1 1 A 54 54 LYS C C 54 178.686 179.070 -0.384 1
1 578 . 3 1 1 A 54 54 LYS CA C 54 59.002 59.931 -0.929 1
1 579 . 3 1 1 A 54 54 LYS CB C 54 32.608 32.184 0.424 1
1 583 . 3 1 1 A 54 54 LYS N N 54 119.791 119.597 0.194 1
1 584 . 3 1 1 A 55 55 ARG H H 55 7.978 8.028 -0.050 1
1 585 . 3 1 1 A 55 55 ARG HA H 55 4.136 4.035 0.101 1
1 592 . 3 1 1 A 55 55 ARG C C 55 177.610 175.831 1.779 1
1 593 . 3 1 1 A 55 55 ARG CA C 55 58.183 59.059 -0.876 1
1 594 . 3 1 1 A 55 55 ARG CB C 55 30.410 29.608 0.802 1
1 597 . 3 1 1 A 55 55 ARG N N 55 119.619 120.069 -0.450 1
1 598 . 3 1 1 A 56 56 ALA H H 56 8.008 7.975 0.033 1
1 599 . 3 1 1 A 56 56 ALA HA H 56 4.196 3.822 0.374 1
1 603 . 3 1 1 A 56 56 ALA C C 56 179.269 176.687 2.582 1
1 604 . 3 1 1 A 56 56 ALA CA C 56 53.930 52.929 1.001 1
1 605 . 3 1 1 A 56 56 ALA CB C 56 18.539 17.088 1.451 1
1 606 . 3 1 1 A 56 56 ALA N N 56 122.850 120.613 2.237 1
1 607 . 3 1 1 A 57 57 LYS H H 57 8.014 7.598 0.416 1
1 608 . 3 1 1 A 57 57 LYS HA H 57 4.225 4.394 -0.169 1
1 617 . 3 1 1 A 57 57 LYS C C 57 177.892 175.526 2.366 1
1 618 . 3 1 1 A 57 57 LYS CA C 57 57.504 55.219 2.285 1
1 619 . 3 1 1 A 57 57 LYS CB C 57 32.646 32.533 0.113 1
1 623 . 3 1 1 A 57 57 LYS N N 57 118.986 117.299 1.687 1
1 624 . 3 1 1 A 58 58 ARG H H 58 8.039 7.403 0.636 1
1 625 . 3 1 1 A 58 58 ARG HA H 58 4.229 4.124 0.105 1
1 632 . 3 1 1 A 58 58 ARG C C 58 177.156 176.294 0.862 1
1 633 . 3 1 1 A 58 58 ARG CA C 58 57.425 56.752 0.673 1
1 634 . 3 1 1 A 58 58 ARG CB C 58 30.561 30.538 0.023 1
1 637 . 3 1 1 A 58 58 ARG N N 58 120.747 123.743 -2.996 1
1 638 . 3 1 1 A 59 59 GLN H H 59 8.195 8.606 -0.411 1
1 639 . 3 1 1 A 59 59 GLN HA H 59 4.228 4.382 -0.154 1
1 644 . 3 1 1 A 59 59 GLN CA C 59 57.412 55.873 1.539 1
1 645 . 3 1 1 A 59 59 GLN CB C 59 32.773 29.763 3.010 1
1 647 . 3 1 1 A 59 59 GLN N N 59 121.145 125.553 -4.408 1
1 648 . 3 1 1 A 60 60 GLU HA H 60 4.256 4.408 -0.152 1
1 653 . 3 1 1 A 60 60 GLU CA C 60 56.093 55.772 0.321 1
1 654 . 3 1 1 A 60 60 GLU CB C 60 29.429 28.671 0.758 1
1 656 . 3 1 1 A 63 63 LYS HA H 63 4.263 4.181 0.082 1
1 663 . 3 1 1 A 63 63 LYS CA C 63 56.908 56.300 0.608 1
1 664 . 3 1 1 A 63 63 LYS CB C 63 32.778 32.815 -0.037 1
1 665 . 3 1 1 A 64 64 GLN H H 64 8.261 8.611 -0.350 1
1 666 . 3 1 1 A 64 64 GLN HA H 64 4.253 4.635 -0.382 1
1 673 . 3 1 1 A 64 64 GLN C C 64 176.687 175.905 0.782 1
1 674 . 3 1 1 A 64 64 GLN CA C 64 56.780 55.395 1.385 1
1 675 . 3 1 1 A 64 64 GLN CB C 64 29.198 29.730 -0.532 1
1 677 . 3 1 1 A 64 64 GLN N N 64 120.299 120.575 -0.276 1
1 679 . 3 1 1 A 65 65 LEU H H 65 8.190 8.475 -0.285 1
1 680 . 3 1 1 A 65 65 LEU HA H 65 4.306 4.172 0.134 1
1 690 . 3 1 1 A 65 65 LEU C C 65 177.894 176.447 1.447 1
1 691 . 3 1 1 A 65 65 LEU CA C 65 55.952 54.941 1.011 1
1 692 . 3 1 1 A 65 65 LEU CB C 65 42.313 43.001 -0.688 1
1 696 . 3 1 1 A 65 65 LEU N N 65 122.723 123.443 -0.720 1
1 697 . 3 1 1 A 66 66 LEU H H 66 8.165 8.588 -0.423 1
1 698 . 3 1 1 A 66 66 LEU HA H 66 4.305 4.827 -0.522 1
1 708 . 3 1 1 A 66 66 LEU C C 66 177.867 174.855 3.012 1
1 709 . 3 1 1 A 66 66 LEU CA C 66 55.775 53.751 2.024 1
1 710 . 3 1 1 A 66 66 LEU CB C 66 42.336 44.529 -2.193 1
1 714 . 3 1 1 A 66 66 LEU N N 66 121.812 120.327 1.485 1
1 715 . 3 1 1 A 67 67 SER H H 67 8.104 8.520 -0.416 1
1 716 . 3 1 1 A 67 67 SER CA C 67 58.896 58.858 0.038 1
1 717 . 3 1 1 A 67 67 SER CB C 67 63.674 63.338 0.336 1
1 718 . 3 1 1 A 67 67 SER N N 67 115.632 115.969 -0.337 1
1 719 . 3 1 1 A 69 69 GLN HA H 69 4.221 4.903 -0.682 1
1 724 . 3 1 1 A 69 69 GLN CA C 69 57.547 55.668 1.879 1
1 725 . 3 1 1 A 69 69 GLN CB C 69 30.314 32.880 -2.566 1
1 727 . 3 1 1 A 70 70 LYS H H 70 8.255 8.751 -0.496 1
1 728 . 3 1 1 A 70 70 LYS HA H 70 4.220 5.259 -1.039 1
1 737 . 3 1 1 A 70 70 LYS C C 70 176.303 174.741 1.562 1
1 738 . 3 1 1 A 70 70 LYS CA C 70 56.639 55.200 1.439 1
1 739 . 3 1 1 A 70 70 LYS CB C 70 33.080 36.178 -3.098 1
1 743 . 3 1 1 A 70 70 LYS N N 70 121.417 123.403 -1.986 1
1 744 . 3 1 1 A 71 71 TYR H H 71 8.142 8.954 -0.812 1
1 745 . 3 1 1 A 71 71 TYR HA H 71 4.571 4.774 -0.203 1
1 752 . 3 1 1 A 71 71 TYR C C 71 175.736 175.753 -0.017 1
1 753 . 3 1 1 A 71 71 TYR CA C 71 57.768 59.189 -1.421 1
1 754 . 3 1 1 A 71 71 TYR CB C 71 38.894 40.706 -1.812 1
1 759 . 3 1 1 A 71 71 TYR N N 71 120.561 118.982 1.579 1
1 760 . 3 1 1 A 72 72 ALA H H 72 8.237 7.624 0.613 1
1 761 . 3 1 1 A 72 72 ALA HA H 72 4.292 4.593 -0.301 1
1 765 . 3 1 1 A 72 72 ALA C C 72 177.276 174.857 2.419 1
1 766 . 3 1 1 A 72 72 ALA CA C 72 52.642 51.649 0.993 1
1 767 . 3 1 1 A 72 72 ALA CB C 72 19.405 22.258 -2.853 1
1 768 . 3 1 1 A 72 72 ALA N N 72 125.192 117.773 7.419 1
1 769 . 3 1 1 A 73 73 ASP H H 73 8.220 8.681 -0.461 1
1 770 . 3 1 1 A 73 73 ASP HA H 73 4.549 5.203 -0.654 1
1 773 . 3 1 1 A 73 73 ASP C C 73 176.922 174.942 1.980 1
1 774 . 3 1 1 A 73 73 ASP CA C 73 54.682 53.150 1.532 1
1 775 . 3 1 1 A 73 73 ASP CB C 73 41.239 44.780 -3.541 1
1 776 . 3 1 1 A 73 73 ASP N N 73 119.269 118.071 1.198 1
1 777 . 3 1 1 A 74 74 GLY H H 74 8.269 8.430 -0.161 1
1 778 . 3 1 1 A 74 74 GLY HA2 H 74 3.963 4.259 -0.296 1
1 779 . 3 1 1 A 74 74 GLY HA3 H 74 3.879 4.263 -0.384 1
1 780 . 3 1 1 A 74 74 GLY C C 74 174.132 171.777 2.355 1
1 781 . 3 1 1 A 74 74 GLY CA C 74 45.551 45.846 -0.295 1
1 782 . 3 1 1 A 74 74 GLY N N 74 109.209 108.444 0.765 1
1 783 . 3 1 1 A 75 75 ALA H H 75 8.048 8.508 -0.460 1
1 784 . 3 1 1 A 75 75 ALA HA H 75 4.221 5.081 -0.860 1
1 788 . 3 1 1 A 75 75 ALA C C 75 177.507 175.502 2.005 1
1 789 . 3 1 1 A 75 75 ALA CA C 75 52.638 51.566 1.072 1
1 790 . 3 1 1 A 75 75 ALA CB C 75 19.281 23.681 -4.400 1
1 791 . 3 1 1 A 75 75 ALA N N 75 123.382 121.422 1.960 1
1 792 . 3 1 1 A 76 76 PHE H H 76 8.126 8.742 -0.616 1
1 793 . 3 1 1 A 76 76 PHE HA H 76 4.541 5.022 -0.481 1
1 798 . 3 1 1 A 76 76 PHE C C 76 175.620 173.296 2.324 1
1 799 . 3 1 1 A 76 76 PHE CA C 76 57.733 58.083 -0.350 1
1 800 . 3 1 1 A 76 76 PHE CB C 76 39.429 41.967 -2.538 1
1 801 . 3 1 1 A 76 76 PHE N N 76 118.540 119.949 -1.409 1
1 802 . 3 1 1 A 77 77 ALA H H 77 8.017 7.471 0.546 1
1 803 . 3 1 1 A 77 77 ALA HA H 77 4.207 4.740 -0.533 1
1 807 . 3 1 1 A 77 77 ALA C C 77 176.990 175.107 1.883 1
1 808 . 3 1 1 A 77 77 ALA CA C 77 52.602 51.286 1.316 1
1 809 . 3 1 1 A 77 77 ALA CB C 77 19.528 23.089 -3.561 1
1 810 . 3 1 1 A 77 77 ALA N N 77 124.826 125.050 -0.224 1
1 811 . 3 1 1 A 78 78 ASP H H 78 8.061 8.585 -0.524 1
1 812 . 3 1 1 A 78 78 ASP HA H 78 4.538 5.171 -0.633 1
1 815 . 3 1 1 A 78 78 ASP C C 78 175.908 174.464 1.444 1
1 816 . 3 1 1 A 78 78 ASP CA C 78 54.189 53.144 1.045 1
1 817 . 3 1 1 A 78 78 ASP CB C 78 41.242 44.577 -3.335 1
1 818 . 3 1 1 A 78 78 ASP N N 78 119.019 116.479 2.540 1
1 819 . 3 1 1 A 79 79 PHE H H 79 8.023 8.469 -0.446 1
1 820 . 3 1 1 A 79 79 PHE HA H 79 4.586 5.313 -0.727 1
1 825 . 3 1 1 A 79 79 PHE C C 79 175.551 174.952 0.599 1
1 826 . 3 1 1 A 79 79 PHE CA C 79 57.891 55.235 2.656 1
1 827 . 3 1 1 A 79 79 PHE CB C 79 39.484 41.884 -2.400 1
1 828 . 3 1 1 A 79 79 PHE N N 79 120.449 116.283 4.166 1
1 829 . 3 1 1 A 80 80 LYS H H 80 8.161 9.285 -1.124 1
1 830 . 3 1 1 A 80 80 LYS HA H 80 4.251 4.425 -0.174 1
1 836 . 3 1 1 A 80 80 LYS C C 80 176.027 176.316 -0.289 1
1 837 . 3 1 1 A 80 80 LYS CA C 80 56.233 57.620 -1.387 1
1 838 . 3 1 1 A 80 80 LYS CB C 80 33.084 35.109 -2.025 1
1 842 . 3 1 1 A 80 80 LYS N N 80 123.309 120.579 2.730 1
1 843 . 3 1 1 A 81 81 GLN H H 81 8.329 7.784 0.545 1
1 844 . 3 1 1 A 81 81 GLN HA H 81 4.284 4.917 -0.633 1
1 851 . 3 1 1 A 81 81 GLN C C 81 176.009 173.001 3.008 1
1 852 . 3 1 1 A 81 81 GLN CA C 81 55.952 54.885 1.067 1
1 853 . 3 1 1 A 81 81 GLN CB C 81 29.623 30.486 -0.863 1
1 855 . 3 1 1 A 81 81 GLN N N 81 121.944 113.517 8.427 1
1 857 . 3 1 1 A 82 82 GLU H H 82 8.542 8.559 -0.017 1
1 858 . 3 1 1 A 82 82 GLU HA H 82 4.350 5.091 -0.741 1
1 862 . 3 1 1 A 82 82 GLU C C 82 176.509 174.244 2.265 1
1 863 . 3 1 1 A 82 82 GLU CA C 82 56.675 55.247 1.428 1
1 864 . 3 1 1 A 82 82 GLU CB C 82 30.447 33.728 -3.281 1
1 866 . 3 1 1 A 82 82 GLU N N 82 122.687 121.093 1.594 1
1 867 . 3 1 1 A 83 83 SER H H 83 8.418 8.902 -0.484 1
1 868 . 3 1 1 A 83 83 SER HA H 83 4.516 4.867 -0.351 1
1 871 . 3 1 1 A 83 83 SER C C 83 174.538 172.526 2.012 1
1 872 . 3 1 1 A 83 83 SER CA C 83 58.403 56.800 1.603 1
1 873 . 3 1 1 A 83 83 SER CB C 83 64.018 65.319 -1.301 1
1 874 . 3 1 1 A 83 83 SER N N 83 116.897 118.844 -1.947 1
1 875 . 3 1 1 A 84 84 GLY H H 84 8.276 8.405 -0.129 1
1 876 . 3 1 1 A 84 84 GLY C C 84 171.814 172.470 -0.656 1
1 877 . 3 1 1 A 84 84 GLY CA C 84 44.722 45.149 -0.427 1
1 878 . 3 1 1 A 84 84 GLY N N 84 110.673 109.905 0.768 1
1 879 . 3 1 1 A 85 85 PRO HA H 85 4.497 4.631 -0.134 1
1 885 . 3 1 1 A 85 85 PRO C C 85 177.204 175.306 1.898 1
1 886 . 3 1 1 A 85 85 PRO CA C 85 63.290 62.660 0.630 1
1 887 . 3 1 1 A 85 85 PRO CB C 85 32.228 33.255 -1.027 1
1 890 . 3 1 1 A 86 86 SER H H 86 8.331 8.416 -0.085 1
1 891 . 3 1 1 A 86 86 SER HA H 86 4.339 5.011 -0.672 1
1 892 . 3 1 1 A 86 86 SER C C 86 174.935 172.655 2.280 1
1 893 . 3 1 1 A 86 86 SER CA C 86 61.769 57.747 4.022 1
1 894 . 3 1 1 A 86 86 SER CB C 86 69.836 67.394 2.442 1
1 895 . 3 1 1 A 86 86 SER N N 86 114.681 115.075 -0.394 1
1 896 . 3 1 1 A 87 87 SER H H 87 8.121 8.743 -0.622 1
1 897 . 3 1 1 A 87 87 SER CA C 87 61.963 57.600 4.363 1
1 898 . 3 1 1 A 87 87 SER CB C 87 69.818 67.435 2.383 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.975 4.161 -0.186 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.975 4.162 -0.187 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.115 171.875 2.240 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.392 45.872 -0.480 1
1 5 . 4 1 1 A 8 8 LEU H H 8 8.037 8.749 -0.712 1
1 6 . 4 1 1 A 8 8 LEU HA H 8 4.347 5.020 -0.673 1
1 16 . 4 1 1 A 8 8 LEU C C 8 177.426 174.998 2.428 1
1 17 . 4 1 1 A 8 8 LEU CA C 8 55.352 54.453 0.899 1
1 18 . 4 1 1 A 8 8 LEU CB C 8 42.478 45.503 -3.025 1
1 22 . 4 1 1 A 8 8 LEU N N 8 121.686 124.072 -2.386 1
1 23 . 4 1 1 A 9 9 LYS H H 9 8.309 8.890 -0.581 1
1 24 . 4 1 1 A 9 9 LYS HA H 9 4.319 5.025 -0.706 1
1 29 . 4 1 1 A 9 9 LYS CA C 9 56.195 54.514 1.681 1
1 30 . 4 1 1 A 9 9 LYS CB C 9 32.820 35.374 -2.554 1
1 34 . 4 1 1 A 9 9 LYS N N 9 122.335 124.689 -2.354 1
1 35 . 4 1 1 A 10 10 ARG HA H 10 4.306 4.632 -0.326 1
1 42 . 4 1 1 A 10 10 ARG C C 10 175.845 175.008 0.837 1
1 43 . 4 1 1 A 10 10 ARG CA C 10 56.146 56.126 0.020 1
1 44 . 4 1 1 A 10 10 ARG CB C 10 31.005 29.325 1.680 1
1 47 . 4 1 1 A 11 11 ASP H H 11 8.293 8.093 0.200 1
1 48 . 4 1 1 A 11 11 ASP HA H 11 4.582 5.228 -0.646 1
1 51 . 4 1 1 A 11 11 ASP C C 11 175.382 174.449 0.933 1
1 52 . 4 1 1 A 11 11 ASP CA C 11 54.612 53.536 1.076 1
1 53 . 4 1 1 A 11 11 ASP CB C 11 41.572 43.499 -1.927 1
1 54 . 4 1 1 A 11 11 ASP N N 11 120.563 123.295 -2.732 1
1 55 . 4 1 1 A 12 12 PHE H H 12 7.961 8.426 -0.465 1
1 56 . 4 1 1 A 12 12 PHE HA H 12 4.758 5.022 -0.264 1
1 63 . 4 1 1 A 12 12 PHE C C 12 175.068 173.076 1.992 1
1 64 . 4 1 1 A 12 12 PHE CA C 12 58.990 56.971 2.019 1
1 65 . 4 1 1 A 12 12 PHE CB C 12 40.037 41.174 -1.137 1
1 70 . 4 1 1 A 12 12 PHE N N 12 118.808 119.783 -0.975 1
1 71 . 4 1 1 A 13 13 ILE H H 13 8.167 8.954 -0.787 1
1 72 . 4 1 1 A 13 13 ILE HA H 13 4.167 4.391 -0.224 1
1 82 . 4 1 1 A 13 13 ILE C C 13 175.712 175.479 0.233 1
1 83 . 4 1 1 A 13 13 ILE CA C 13 60.976 62.092 -1.116 1
1 84 . 4 1 1 A 13 13 ILE CB C 13 39.277 37.836 1.441 1
1 88 . 4 1 1 A 13 13 ILE N N 13 122.190 124.966 -2.776 1
1 89 . 4 1 1 A 14 14 ILE H H 14 8.287 9.089 -0.802 1
1 90 . 4 1 1 A 14 14 ILE HA H 14 4.163 4.851 -0.688 1
1 100 . 4 1 1 A 14 14 ILE C C 14 176.116 176.167 -0.051 1
1 101 . 4 1 1 A 14 14 ILE CA C 14 61.142 60.394 0.748 1
1 102 . 4 1 1 A 14 14 ILE CB C 14 38.438 38.771 -0.333 1
1 106 . 4 1 1 A 14 14 ILE N N 14 125.550 128.980 -3.430 1
1 107 . 4 1 1 A 15 15 LEU H H 15 8.398 8.746 -0.348 1
1 108 . 4 1 1 A 15 15 LEU HA H 15 4.397 5.103 -0.706 1
1 118 . 4 1 1 A 15 15 LEU C C 15 177.749 176.144 1.605 1
1 119 . 4 1 1 A 15 15 LEU CA C 15 55.123 52.954 2.169 1
1 120 . 4 1 1 A 15 15 LEU CB C 15 42.560 44.083 -1.523 1
1 124 . 4 1 1 A 15 15 LEU N N 15 127.408 124.818 2.590 1
1 125 . 4 1 1 A 16 16 GLY H H 16 8.347 8.438 -0.091 1
1 126 . 4 1 1 A 16 16 GLY HA2 H 16 3.964 4.231 -0.267 1
1 127 . 4 1 1 A 16 16 GLY HA3 H 16 3.964 4.233 -0.269 1
1 128 . 4 1 1 A 16 16 GLY C C 16 172.979 172.794 0.185 1
1 129 . 4 1 1 A 16 16 GLY CA C 16 45.286 45.384 -0.098 1
1 130 . 4 1 1 A 16 16 GLY N N 16 109.546 106.914 2.632 1
1 131 . 4 1 1 A 17 17 ASN H H 17 7.974 8.106 -0.132 1
1 132 . 4 1 1 A 17 17 ASN HA H 17 4.577 5.238 -0.661 1
1 137 . 4 1 1 A 17 17 ASN C C 17 175.869 173.919 1.950 1
1 138 . 4 1 1 A 17 17 ASN CA C 17 54.665 52.253 2.412 1
1 139 . 4 1 1 A 17 17 ASN CB C 17 40.830 42.232 -1.402 1
1 140 . 4 1 1 A 17 17 ASN N N 17 124.057 118.259 5.798 1
1 142 . 4 1 1 A 18 18 GLY H H 18 8.150 8.650 -0.500 1
1 143 . 4 1 1 A 18 18 GLY HA2 H 18 4.073 4.052 0.021 1
1 144 . 4 1 1 A 18 18 GLY HA3 H 18 4.073 4.052 0.021 1
1 145 . 4 1 1 A 18 18 GLY C C 18 172.372 172.848 -0.476 1
1 146 . 4 1 1 A 18 18 GLY CA C 18 44.898 44.288 0.610 1
1 147 . 4 1 1 A 18 18 GLY N N 18 113.988 112.935 1.053 1
1 148 . 4 1 1 A 19 19 PRO HA H 19 4.441 4.514 -0.073 1
1 155 . 4 1 1 A 19 19 PRO C C 19 177.039 176.538 0.501 1
1 156 . 4 1 1 A 19 19 PRO CA C 19 63.268 62.870 0.398 1
1 157 . 4 1 1 A 19 19 PRO CB C 19 32.159 31.811 0.348 1
1 160 . 4 1 1 A 20 20 ARG H H 20 8.414 8.259 0.155 1
1 161 . 4 1 1 A 20 20 ARG HA H 20 4.339 4.334 0.005 1
1 167 . 4 1 1 A 20 20 ARG C C 20 176.312 176.048 0.264 1
1 168 . 4 1 1 A 20 20 ARG CA C 20 56.111 55.526 0.585 1
1 169 . 4 1 1 A 20 20 ARG CB C 20 30.612 30.776 -0.164 1
1 172 . 4 1 1 A 20 20 ARG N N 20 120.839 119.622 1.217 1
1 173 . 4 1 1 A 21 21 LEU H H 21 8.306 8.064 0.242 1
1 174 . 4 1 1 A 21 21 LEU HA H 21 4.405 4.194 0.211 1
1 183 . 4 1 1 A 21 21 LEU C C 21 177.403 176.753 0.650 1
1 184 . 4 1 1 A 21 21 LEU CA C 21 55.141 56.006 -0.865 1
1 185 . 4 1 1 A 21 21 LEU CB C 21 42.190 42.514 -0.324 1
1 189 . 4 1 1 A 21 21 LEU N N 21 123.561 121.631 1.930 1
1 190 . 4 1 1 A 22 22 GLN H H 22 8.406 9.122 -0.716 1
1 191 . 4 1 1 A 22 22 GLN HA H 22 4.336 4.461 -0.125 1
1 198 . 4 1 1 A 22 22 GLN C C 22 175.699 175.502 0.197 1
1 199 . 4 1 1 A 22 22 GLN CA C 22 56.181 57.278 -1.097 1
1 200 . 4 1 1 A 22 22 GLN CB C 22 29.492 30.152 -0.660 1
1 202 . 4 1 1 A 22 22 GLN N N 22 120.835 128.915 -8.080 1
1 204 . 4 1 1 A 24 24 SER HA H 24 4.451 4.749 -0.298 1
1 207 . 4 1 1 A 24 24 SER C C 24 173.514 173.745 -0.231 1
1 208 . 4 1 1 A 24 24 SER CA C 24 58.579 58.137 0.442 1
1 209 . 4 1 1 A 24 24 SER CB C 24 63.967 61.578 2.389 1
1 210 . 4 1 1 A 25 25 THR H H 25 7.806 8.121 -0.315 1
1 211 . 4 1 1 A 25 25 THR HA H 25 4.348 5.139 -0.791 1
1 216 . 4 1 1 A 25 25 THR C C 25 173.359 174.026 -0.667 1
1 217 . 4 1 1 A 25 25 THR CA C 25 61.593 61.776 -0.183 1
1 218 . 4 1 1 A 25 25 THR CB C 25 70.716 70.550 0.166 1
1 220 . 4 1 1 A 25 25 THR N N 25 114.185 122.991 -8.806 1
1 221 . 4 1 1 A 26 26 TYR H H 26 8.598 9.593 -0.995 1
1 222 . 4 1 1 A 26 26 TYR HA H 26 4.670 5.020 -0.350 1
1 229 . 4 1 1 A 26 26 TYR C C 26 174.444 174.984 -0.540 1
1 230 . 4 1 1 A 26 26 TYR CA C 26 56.798 57.278 -0.480 1
1 231 . 4 1 1 A 26 26 TYR CB C 26 39.717 39.521 0.196 1
1 236 . 4 1 1 A 26 26 TYR N N 26 121.326 125.144 -3.818 1
1 237 . 4 1 1 A 27 27 GLN H H 27 8.528 8.751 -0.223 1
1 238 . 4 1 1 A 27 27 GLN HA H 27 4.670 5.121 -0.451 1
1 245 . 4 1 1 A 27 27 GLN C C 27 175.055 175.661 -0.606 1
1 246 . 4 1 1 A 27 27 GLN CA C 27 54.718 54.469 0.249 1
1 247 . 4 1 1 A 27 27 GLN CB C 27 30.938 30.022 0.916 1
1 249 . 4 1 1 A 27 27 GLN N N 27 123.045 124.758 -1.713 1
1 251 . 4 1 1 A 28 28 CYS H H 28 8.682 8.549 0.133 1
1 252 . 4 1 1 A 28 28 CYS HA H 28 4.331 4.635 -0.304 1
1 255 . 4 1 1 A 28 28 CYS C C 28 176.610 176.027 0.583 1
1 256 . 4 1 1 A 28 28 CYS CA C 28 60.394 59.249 1.145 1
1 257 . 4 1 1 A 28 28 CYS CB C 28 29.850 29.025 0.825 1
1 258 . 4 1 1 A 28 28 CYS N N 28 129.276 125.695 3.581 1
1 259 . 4 1 1 A 29 29 LYS H H 29 8.454 8.510 -0.056 1
1 260 . 4 1 1 A 29 29 LYS HA H 29 4.257 4.735 -0.478 1
1 269 . 4 1 1 A 29 29 LYS C C 29 176.581 177.655 -1.074 1
1 270 . 4 1 1 A 29 29 LYS CA C 29 57.584 56.797 0.787 1
1 271 . 4 1 1 A 29 29 LYS CB C 29 32.145 33.784 -1.639 1
1 275 . 4 1 1 A 29 29 LYS N N 29 127.445 122.321 5.124 1
1 276 . 4 1 1 A 30 30 HIS H H 30 9.625 7.433 2.192 1
1 277 . 4 1 1 A 30 30 HIS HA H 30 4.608 4.382 0.226 1
1 281 . 4 1 1 A 30 30 HIS C C 30 175.524 176.529 -1.005 1
1 282 . 4 1 1 A 30 30 HIS CA C 30 56.956 58.534 -1.578 1
1 283 . 4 1 1 A 30 30 HIS CB C 30 30.732 30.763 -0.031 1
1 285 . 4 1 1 A 30 30 HIS N N 30 121.657 116.993 4.664 1
1 286 . 4 1 1 A 31 31 CYS H H 31 8.086 8.062 0.024 1
1 287 . 4 1 1 A 31 31 CYS HA H 31 5.078 4.542 0.536 1
1 290 . 4 1 1 A 31 31 CYS C C 31 173.769 174.878 -1.109 1
1 291 . 4 1 1 A 31 31 CYS CA C 31 58.349 58.764 -0.415 1
1 292 . 4 1 1 A 31 31 CYS CB C 31 31.268 30.268 1.000 1
1 293 . 4 1 1 A 31 31 CYS N N 31 118.457 114.051 4.406 1
1 294 . 4 1 1 A 32 32 ASP H H 32 8.135 8.298 -0.163 1
1 295 . 4 1 1 A 32 32 ASP HA H 32 4.637 4.521 0.116 1
1 298 . 4 1 1 A 32 32 ASP C C 32 176.540 175.598 0.942 1
1 299 . 4 1 1 A 32 32 ASP CA C 32 55.687 55.287 0.400 1
1 300 . 4 1 1 A 32 32 ASP CB C 32 40.418 39.568 0.850 1
1 301 . 4 1 1 A 32 32 ASP N N 32 116.820 120.904 -4.084 1
1 302 . 4 1 1 A 33 33 SER H H 33 8.667 7.842 0.825 1
1 303 . 4 1 1 A 33 33 SER HA H 33 4.267 4.637 -0.370 1
1 306 . 4 1 1 A 33 33 SER C C 33 172.462 173.383 -0.921 1
1 307 . 4 1 1 A 33 33 SER CA C 33 61.452 56.724 4.728 1
1 308 . 4 1 1 A 33 33 SER CB C 33 63.893 65.098 -1.205 1
1 309 . 4 1 1 A 33 33 SER N N 33 119.488 113.716 5.772 1
1 310 . 4 1 1 A 34 34 LYS H H 34 8.389 8.367 0.022 1
1 311 . 4 1 1 A 34 34 LYS HA H 34 4.747 5.196 -0.449 1
1 320 . 4 1 1 A 34 34 LYS C C 34 175.517 175.326 0.191 1
1 321 . 4 1 1 A 34 34 LYS CA C 34 55.476 54.852 0.624 1
1 322 . 4 1 1 A 34 34 LYS CB C 34 33.526 34.788 -1.262 1
1 326 . 4 1 1 A 34 34 LYS N N 34 122.954 121.175 1.779 1
1 327 . 4 1 1 A 35 35 LEU H H 35 8.825 8.734 0.091 1
1 328 . 4 1 1 A 35 35 LEU HA H 35 4.847 4.879 -0.032 1
1 338 . 4 1 1 A 35 35 LEU C C 35 177.476 177.381 0.095 1
1 339 . 4 1 1 A 35 35 LEU CA C 35 52.673 53.227 -0.554 1
1 340 . 4 1 1 A 35 35 LEU CB C 35 42.115 44.554 -2.439 1
1 344 . 4 1 1 A 35 35 LEU N N 35 126.489 125.985 0.504 1
1 345 . 4 1 1 A 36 36 GLN H H 36 8.883 8.524 0.359 1
1 346 . 4 1 1 A 36 36 GLN HA H 36 4.565 3.995 0.570 1
1 353 . 4 1 1 A 36 36 GLN C C 36 175.227 175.916 -0.689 1
1 354 . 4 1 1 A 36 36 GLN CA C 36 56.763 59.312 -2.549 1
1 355 . 4 1 1 A 36 36 GLN CB C 36 30.225 29.204 1.021 1
1 357 . 4 1 1 A 36 36 GLN N N 36 116.410 122.647 -6.237 1
1 359 . 4 1 1 A 37 37 SER H H 37 7.345 7.551 -0.206 1
1 360 . 4 1 1 A 37 37 SER HA H 37 4.569 3.131 1.438 1
1 363 . 4 1 1 A 37 37 SER C C 37 179.414 173.240 6.174 1
1 364 . 4 1 1 A 37 37 SER CA C 37 56.780 56.797 -0.017 1
1 365 . 4 1 1 A 37 37 SER CB C 37 66.444 66.076 0.368 1
1 366 . 4 1 1 A 37 37 SER N N 37 110.125 111.895 -1.770 1
1 367 . 4 1 1 A 38 38 THR H H 38 8.099 8.341 -0.242 1
1 368 . 4 1 1 A 38 38 THR HA H 38 3.627 3.849 -0.222 1
1 373 . 4 1 1 A 38 38 THR CA C 38 65.831 66.582 -0.751 1
1 374 . 4 1 1 A 38 38 THR CB C 38 68.118 68.844 -0.726 1
1 376 . 4 1 1 A 38 38 THR N N 38 121.696 115.926 5.770 1
1 377 . 4 1 1 A 39 39 ALA HA H 39 4.155 3.997 0.158 1
1 381 . 4 1 1 A 39 39 ALA C C 39 180.623 179.231 1.392 1
1 382 . 4 1 1 A 39 39 ALA CA C 39 55.406 55.166 0.240 1
1 383 . 4 1 1 A 39 39 ALA CB C 39 18.098 18.361 -0.263 1
1 384 . 4 1 1 A 40 40 GLU H H 40 7.881 7.891 -0.010 1
1 385 . 4 1 1 A 40 40 GLU HA H 40 4.114 4.259 -0.145 1
1 390 . 4 1 1 A 40 40 GLU C C 40 179.352 178.641 0.711 1
1 391 . 4 1 1 A 40 40 GLU CA C 40 58.914 58.362 0.552 1
1 392 . 4 1 1 A 40 40 GLU CB C 40 30.822 30.242 0.580 1
1 394 . 4 1 1 A 40 40 GLU N N 40 118.475 117.021 1.454 1
1 395 . 4 1 1 A 41 41 LEU H H 41 8.096 8.082 0.014 1
1 396 . 4 1 1 A 41 41 LEU HA H 41 4.115 4.122 -0.007 1
1 406 . 4 1 1 A 41 41 LEU C C 41 177.620 178.734 -1.114 1
1 407 . 4 1 1 A 41 41 LEU CA C 41 58.841 57.988 0.853 1
1 408 . 4 1 1 A 41 41 LEU CB C 41 41.442 41.862 -0.420 1
1 412 . 4 1 1 A 41 41 LEU N N 41 121.715 122.451 -0.736 1
1 413 . 4 1 1 A 42 42 THR H H 42 8.599 8.397 0.202 1
1 414 . 4 1 1 A 42 42 THR HA H 42 3.860 3.967 -0.107 1
1 419 . 4 1 1 A 42 42 THR C C 42 176.761 176.362 0.399 1
1 420 . 4 1 1 A 42 42 THR CA C 42 67.345 66.105 1.240 1
1 421 . 4 1 1 A 42 42 THR CB C 42 68.758 68.470 0.288 1
1 423 . 4 1 1 A 42 42 THR N N 42 115.801 115.736 0.065 1
1 424 . 4 1 1 A 43 43 SER H H 43 7.833 8.092 -0.259 1
1 425 . 4 1 1 A 43 43 SER HA H 43 4.251 4.204 0.047 1
1 428 . 4 1 1 A 43 43 SER C C 43 176.836 176.115 0.721 1
1 429 . 4 1 1 A 43 43 SER CA C 43 61.646 62.039 -0.393 1
1 430 . 4 1 1 A 43 43 SER CB C 43 62.750 63.479 -0.729 1
1 431 . 4 1 1 A 43 43 SER N N 43 115.657 117.599 -1.942 1
1 432 . 4 1 1 A 44 44 HIS H H 44 8.415 8.312 0.103 1
1 433 . 4 1 1 A 44 44 HIS HA H 44 4.182 4.224 -0.042 1
1 438 . 4 1 1 A 44 44 HIS C C 44 177.125 177.414 -0.289 1
1 439 . 4 1 1 A 44 44 HIS CA C 44 60.094 59.938 0.156 1
1 440 . 4 1 1 A 44 44 HIS CB C 44 28.846 29.941 -1.095 1
1 443 . 4 1 1 A 44 44 HIS N N 44 122.271 122.287 -0.016 1
1 444 . 4 1 1 A 45 45 LEU H H 45 8.854 8.863 -0.009 1
1 445 . 4 1 1 A 45 45 LEU HA H 45 4.100 3.477 0.623 1
1 455 . 4 1 1 A 45 45 LEU C C 45 179.448 178.623 0.825 1
1 456 . 4 1 1 A 45 45 LEU CA C 45 58.297 57.895 0.402 1
1 457 . 4 1 1 A 45 45 LEU CB C 45 41.666 41.387 0.279 1
1 461 . 4 1 1 A 45 45 LEU N N 45 118.289 119.484 -1.195 1
1 462 . 4 1 1 A 46 46 ASN H H 46 7.730 8.397 -0.667 1
1 463 . 4 1 1 A 46 46 ASN HA H 46 4.502 4.370 0.132 1
1 468 . 4 1 1 A 46 46 ASN C C 46 177.759 177.950 -0.191 1
1 469 . 4 1 1 A 46 46 ASN CA C 46 56.163 56.501 -0.338 1
1 470 . 4 1 1 A 46 46 ASN CB C 46 38.069 37.874 0.195 1
1 471 . 4 1 1 A 46 46 ASN N N 46 117.155 116.631 0.524 1
1 473 . 4 1 1 A 47 47 ILE H H 47 7.670 7.583 0.087 1
1 474 . 4 1 1 A 47 47 ILE HA H 47 3.787 3.578 0.209 1
1 484 . 4 1 1 A 47 47 ILE C C 47 178.447 178.180 0.267 1
1 485 . 4 1 1 A 47 47 ILE CA C 47 64.273 65.254 -0.981 1
1 486 . 4 1 1 A 47 47 ILE CB C 47 37.214 37.825 -0.611 1
1 490 . 4 1 1 A 47 47 ILE N N 47 119.392 119.353 0.039 1
1 491 . 4 1 1 A 48 48 HIS H H 48 6.999 8.143 -1.144 1
1 492 . 4 1 1 A 48 48 HIS HA H 48 4.437 4.280 0.157 1
1 497 . 4 1 1 A 48 48 HIS C C 48 175.932 177.780 -1.848 1
1 498 . 4 1 1 A 48 48 HIS CA C 48 56.855 59.885 -3.030 1
1 499 . 4 1 1 A 48 48 HIS CB C 48 27.971 29.865 -1.894 1
1 502 . 4 1 1 A 48 48 HIS N N 48 116.931 119.257 -2.326 1
1 503 . 4 1 1 A 49 49 ASN H H 49 8.059 8.025 0.034 1
1 504 . 4 1 1 A 49 49 ASN HA H 49 4.555 4.371 0.184 1
1 509 . 4 1 1 A 49 49 ASN C C 49 177.139 177.990 -0.851 1
1 510 . 4 1 1 A 49 49 ASN CA C 49 55.552 56.427 -0.875 1
1 511 . 4 1 1 A 49 49 ASN CB C 49 38.495 38.095 0.400 1
1 512 . 4 1 1 A 49 49 ASN N N 49 118.208 116.790 1.418 1
1 514 . 4 1 1 A 50 50 GLU H H 50 8.336 8.216 0.120 1
1 515 . 4 1 1 A 50 50 GLU HA H 50 4.090 4.035 0.055 1
1 520 . 4 1 1 A 50 50 GLU C C 50 178.637 179.213 -0.576 1
1 521 . 4 1 1 A 50 50 GLU CA C 50 59.246 59.690 -0.444 1
1 522 . 4 1 1 A 50 50 GLU CB C 50 29.582 29.283 0.299 1
1 524 . 4 1 1 A 50 50 GLU N N 50 121.316 119.628 1.688 1
1 525 . 4 1 1 A 51 51 GLU H H 51 7.932 7.982 -0.050 1
1 526 . 4 1 1 A 51 51 GLU HA H 51 4.093 4.095 -0.002 1
1 531 . 4 1 1 A 51 51 GLU C C 51 179.088 179.026 0.062 1
1 532 . 4 1 1 A 51 51 GLU CA C 51 59.037 59.198 -0.161 1
1 533 . 4 1 1 A 51 51 GLU CB C 51 29.183 29.515 -0.332 1
1 535 . 4 1 1 A 51 51 GLU N N 51 120.058 119.600 0.458 1
1 536 . 4 1 1 A 52 52 PHE H H 52 8.345 8.742 -0.397 1
1 537 . 4 1 1 A 52 52 PHE HA H 52 4.411 4.152 0.259 1
1 545 . 4 1 1 A 52 52 PHE C C 52 178.654 177.201 1.453 1
1 546 . 4 1 1 A 52 52 PHE CA C 52 59.523 61.666 -2.143 1
1 547 . 4 1 1 A 52 52 PHE CB C 52 38.261 39.319 -1.058 1
1 553 . 4 1 1 A 52 52 PHE N N 52 119.698 121.310 -1.612 1
1 554 . 4 1 1 A 53 53 GLN H H 53 8.197 8.289 -0.092 1
1 555 . 4 1 1 A 53 53 GLN HA H 53 4.153 3.785 0.368 1
1 562 . 4 1 1 A 53 53 GLN C C 53 178.059 178.974 -0.915 1
1 563 . 4 1 1 A 53 53 GLN CA C 53 58.120 59.234 -1.114 1
1 564 . 4 1 1 A 53 53 GLN CB C 53 28.591 28.313 0.278 1
1 566 . 4 1 1 A 53 53 GLN N N 53 118.967 118.056 0.911 1
1 568 . 4 1 1 A 54 54 LYS H H 54 8.008 7.625 0.383 1
1 569 . 4 1 1 A 54 54 LYS HA H 54 4.118 4.051 0.067 1
1 577 . 4 1 1 A 54 54 LYS C C 54 178.686 179.286 -0.600 1
1 578 . 4 1 1 A 54 54 LYS CA C 54 59.002 59.784 -0.782 1
1 579 . 4 1 1 A 54 54 LYS CB C 54 32.608 32.155 0.453 1
1 583 . 4 1 1 A 54 54 LYS N N 54 119.791 119.787 0.004 1
1 584 . 4 1 1 A 55 55 ARG H H 55 7.978 7.624 0.354 1
1 585 . 4 1 1 A 55 55 ARG HA H 55 4.136 4.029 0.107 1
1 592 . 4 1 1 A 55 55 ARG C C 55 177.610 177.801 -0.191 1
1 593 . 4 1 1 A 55 55 ARG CA C 55 58.183 58.997 -0.814 1
1 594 . 4 1 1 A 55 55 ARG CB C 55 30.410 29.982 0.428 1
1 597 . 4 1 1 A 55 55 ARG N N 55 119.619 119.152 0.467 1
1 598 . 4 1 1 A 56 56 ALA H H 56 8.008 7.714 0.294 1
1 599 . 4 1 1 A 56 56 ALA HA H 56 4.196 4.189 0.007 1
1 603 . 4 1 1 A 56 56 ALA C C 56 179.269 177.766 1.503 1
1 604 . 4 1 1 A 56 56 ALA CA C 56 53.930 52.392 1.538 1
1 605 . 4 1 1 A 56 56 ALA CB C 56 18.539 18.529 0.010 1
1 606 . 4 1 1 A 56 56 ALA N N 56 122.850 120.040 2.810 1
1 607 . 4 1 1 A 57 57 LYS H H 57 8.014 7.823 0.191 1
1 608 . 4 1 1 A 57 57 LYS HA H 57 4.225 4.203 0.022 1
1 617 . 4 1 1 A 57 57 LYS C C 57 177.892 178.195 -0.303 1
1 618 . 4 1 1 A 57 57 LYS CA C 57 57.504 58.388 -0.884 1
1 619 . 4 1 1 A 57 57 LYS CB C 57 32.646 33.146 -0.500 1
1 623 . 4 1 1 A 57 57 LYS N N 57 118.986 118.897 0.089 1
1 624 . 4 1 1 A 58 58 ARG H H 58 8.039 7.863 0.176 1
1 625 . 4 1 1 A 58 58 ARG HA H 58 4.229 4.102 0.127 1
1 632 . 4 1 1 A 58 58 ARG C C 58 177.156 175.762 1.394 1
1 633 . 4 1 1 A 58 58 ARG CA C 58 57.425 58.769 -1.344 1
1 634 . 4 1 1 A 58 58 ARG CB C 58 30.561 31.185 -0.624 1
1 637 . 4 1 1 A 58 58 ARG N N 58 120.747 119.466 1.281 1
1 638 . 4 1 1 A 59 59 GLN H H 59 8.195 7.556 0.639 1
1 639 . 4 1 1 A 59 59 GLN HA H 59 4.228 4.680 -0.452 1
1 644 . 4 1 1 A 59 59 GLN CA C 59 57.412 54.157 3.255 1
1 645 . 4 1 1 A 59 59 GLN CB C 59 32.773 31.037 1.736 1
1 647 . 4 1 1 A 59 59 GLN N N 59 121.145 113.450 7.695 1
1 648 . 4 1 1 A 60 60 GLU HA H 60 4.256 4.178 0.078 1
1 653 . 4 1 1 A 60 60 GLU CA C 60 56.093 58.324 -2.231 1
1 654 . 4 1 1 A 60 60 GLU CB C 60 29.429 30.614 -1.185 1
1 656 . 4 1 1 A 63 63 LYS HA H 63 4.263 3.809 0.454 1
1 663 . 4 1 1 A 63 63 LYS CA C 63 56.908 58.086 -1.178 1
1 664 . 4 1 1 A 63 63 LYS CB C 63 32.778 32.387 0.391 1
1 665 . 4 1 1 A 64 64 GLN H H 64 8.261 8.910 -0.649 1
1 666 . 4 1 1 A 64 64 GLN HA H 64 4.253 3.853 0.400 1
1 673 . 4 1 1 A 64 64 GLN C C 64 176.687 174.304 2.383 1
1 674 . 4 1 1 A 64 64 GLN CA C 64 56.780 56.828 -0.048 1
1 675 . 4 1 1 A 64 64 GLN CB C 64 29.198 26.618 2.580 1
1 677 . 4 1 1 A 64 64 GLN N N 64 120.299 119.257 1.042 1
1 679 . 4 1 1 A 65 65 LEU H H 65 8.190 7.713 0.477 1
1 680 . 4 1 1 A 65 65 LEU HA H 65 4.306 5.066 -0.760 1
1 690 . 4 1 1 A 65 65 LEU C C 65 177.894 176.642 1.252 1
1 691 . 4 1 1 A 65 65 LEU CA C 65 55.952 53.327 2.625 1
1 692 . 4 1 1 A 65 65 LEU CB C 65 42.313 44.569 -2.256 1
1 696 . 4 1 1 A 65 65 LEU N N 65 122.723 115.795 6.928 1
1 697 . 4 1 1 A 66 66 LEU H H 66 8.165 8.753 -0.588 1
1 698 . 4 1 1 A 66 66 LEU HA H 66 4.305 4.402 -0.097 1
1 708 . 4 1 1 A 66 66 LEU C C 66 177.867 177.288 0.579 1
1 709 . 4 1 1 A 66 66 LEU CA C 66 55.775 55.227 0.548 1
1 710 . 4 1 1 A 66 66 LEU CB C 66 42.336 41.629 0.707 1
1 714 . 4 1 1 A 66 66 LEU N N 66 121.812 121.551 0.261 1
1 715 . 4 1 1 A 67 67 SER H H 67 8.104 7.490 0.614 1
1 716 . 4 1 1 A 67 67 SER CA C 67 58.896 58.511 0.385 1
1 717 . 4 1 1 A 67 67 SER CB C 67 63.674 63.388 0.286 1
1 718 . 4 1 1 A 67 67 SER N N 67 115.632 116.339 -0.707 1
1 719 . 4 1 1 A 69 69 GLN HA H 69 4.221 5.161 -0.940 1
1 724 . 4 1 1 A 69 69 GLN CA C 69 57.547 53.743 3.804 1
1 725 . 4 1 1 A 69 69 GLN CB C 69 30.314 32.145 -1.831 1
1 727 . 4 1 1 A 70 70 LYS H H 70 8.255 8.398 -0.143 1
1 728 . 4 1 1 A 70 70 LYS HA H 70 4.220 5.028 -0.808 1
1 737 . 4 1 1 A 70 70 LYS C C 70 176.303 175.425 0.878 1
1 738 . 4 1 1 A 70 70 LYS CA C 70 56.639 54.541 2.098 1
1 739 . 4 1 1 A 70 70 LYS CB C 70 33.080 36.015 -2.935 1
1 743 . 4 1 1 A 70 70 LYS N N 70 121.417 120.414 1.003 1
1 744 . 4 1 1 A 71 71 TYR H H 71 8.142 9.089 -0.947 1
1 745 . 4 1 1 A 71 71 TYR HA H 71 4.571 5.596 -1.025 1
1 752 . 4 1 1 A 71 71 TYR C C 71 175.736 172.753 2.983 1
1 753 . 4 1 1 A 71 71 TYR CA C 71 57.768 55.794 1.974 1
1 754 . 4 1 1 A 71 71 TYR CB C 71 38.894 41.727 -2.833 1
1 759 . 4 1 1 A 71 71 TYR N N 71 120.561 117.919 2.642 1
1 760 . 4 1 1 A 72 72 ALA H H 72 8.237 8.803 -0.566 1
1 761 . 4 1 1 A 72 72 ALA HA H 72 4.292 4.752 -0.460 1
1 765 . 4 1 1 A 72 72 ALA C C 72 177.276 176.420 0.856 1
1 766 . 4 1 1 A 72 72 ALA CA C 72 52.642 49.800 2.842 1
1 767 . 4 1 1 A 72 72 ALA CB C 72 19.405 23.228 -3.823 1
1 768 . 4 1 1 A 72 72 ALA N N 72 125.192 122.700 2.492 1
1 769 . 4 1 1 A 73 73 ASP H H 73 8.220 8.874 -0.654 1
1 770 . 4 1 1 A 73 73 ASP HA H 73 4.549 4.803 -0.254 1
1 773 . 4 1 1 A 73 73 ASP C C 73 176.922 177.247 -0.325 1
1 774 . 4 1 1 A 73 73 ASP CA C 73 54.682 55.238 -0.556 1
1 775 . 4 1 1 A 73 73 ASP CB C 73 41.239 41.808 -0.569 1
1 776 . 4 1 1 A 73 73 ASP N N 73 119.269 118.776 0.493 1
1 777 . 4 1 1 A 74 74 GLY H H 74 8.269 7.739 0.530 1
1 778 . 4 1 1 A 74 74 GLY HA2 H 74 3.963 3.837 0.126 1
1 779 . 4 1 1 A 74 74 GLY HA3 H 74 3.879 3.899 -0.020 1
1 780 . 4 1 1 A 74 74 GLY C C 74 174.132 172.114 2.018 1
1 781 . 4 1 1 A 74 74 GLY CA C 74 45.551 44.729 0.822 1
1 782 . 4 1 1 A 74 74 GLY N N 74 109.209 105.192 4.017 1
1 783 . 4 1 1 A 75 75 ALA H H 75 8.048 7.859 0.189 1
1 784 . 4 1 1 A 75 75 ALA HA H 75 4.221 4.866 -0.645 1
1 788 . 4 1 1 A 75 75 ALA C C 75 177.507 175.162 2.345 1
1 789 . 4 1 1 A 75 75 ALA CA C 75 52.638 51.250 1.388 1
1 790 . 4 1 1 A 75 75 ALA CB C 75 19.281 23.096 -3.815 1
1 791 . 4 1 1 A 75 75 ALA N N 75 123.382 120.517 2.865 1
1 792 . 4 1 1 A 76 76 PHE H H 76 8.126 8.727 -0.601 1
1 793 . 4 1 1 A 76 76 PHE HA H 76 4.541 5.076 -0.535 1
1 798 . 4 1 1 A 76 76 PHE C C 76 175.620 174.370 1.250 1
1 799 . 4 1 1 A 76 76 PHE CA C 76 57.733 56.266 1.467 1
1 800 . 4 1 1 A 76 76 PHE CB C 76 39.429 43.910 -4.481 1
1 801 . 4 1 1 A 76 76 PHE N N 76 118.540 116.361 2.179 1
1 802 . 4 1 1 A 77 77 ALA H H 77 8.017 8.698 -0.681 1
1 803 . 4 1 1 A 77 77 ALA HA H 77 4.207 4.804 -0.597 1
1 807 . 4 1 1 A 77 77 ALA C C 77 176.990 175.235 1.755 1
1 808 . 4 1 1 A 77 77 ALA CA C 77 52.602 51.457 1.145 1
1 809 . 4 1 1 A 77 77 ALA CB C 77 19.528 23.110 -3.582 1
1 810 . 4 1 1 A 77 77 ALA N N 77 124.826 121.484 3.342 1
1 811 . 4 1 1 A 78 78 ASP H H 78 8.061 8.499 -0.438 1
1 812 . 4 1 1 A 78 78 ASP HA H 78 4.538 4.991 -0.453 1
1 815 . 4 1 1 A 78 78 ASP C C 78 175.908 174.024 1.884 1
1 816 . 4 1 1 A 78 78 ASP CA C 78 54.189 52.898 1.291 1
1 817 . 4 1 1 A 78 78 ASP CB C 78 41.242 45.311 -4.069 1
1 818 . 4 1 1 A 78 78 ASP N N 78 119.019 117.577 1.442 1
1 819 . 4 1 1 A 79 79 PHE H H 79 8.023 8.823 -0.800 1
1 820 . 4 1 1 A 79 79 PHE HA H 79 4.586 5.213 -0.627 1
1 825 . 4 1 1 A 79 79 PHE C C 79 175.551 174.535 1.016 1
1 826 . 4 1 1 A 79 79 PHE CA C 79 57.891 56.649 1.242 1
1 827 . 4 1 1 A 79 79 PHE CB C 79 39.484 44.505 -5.021 1
1 828 . 4 1 1 A 79 79 PHE N N 79 120.449 117.688 2.761 1
1 829 . 4 1 1 A 80 80 LYS H H 80 8.161 9.087 -0.926 1
1 830 . 4 1 1 A 80 80 LYS HA H 80 4.251 5.264 -1.013 1
1 836 . 4 1 1 A 80 80 LYS C C 80 176.027 174.622 1.405 1
1 837 . 4 1 1 A 80 80 LYS CA C 80 56.233 54.863 1.370 1
1 838 . 4 1 1 A 80 80 LYS CB C 80 33.084 36.896 -3.812 1
1 842 . 4 1 1 A 80 80 LYS N N 80 123.309 117.936 5.373 1
1 843 . 4 1 1 A 81 81 GLN H H 81 8.329 8.775 -0.446 1
1 844 . 4 1 1 A 81 81 GLN HA H 81 4.284 4.926 -0.642 1
1 851 . 4 1 1 A 81 81 GLN C C 81 176.009 174.026 1.983 1
1 852 . 4 1 1 A 81 81 GLN CA C 81 55.952 55.677 0.275 1
1 853 . 4 1 1 A 81 81 GLN CB C 81 29.623 32.923 -3.300 1
1 855 . 4 1 1 A 81 81 GLN N N 81 121.944 118.988 2.956 1
1 857 . 4 1 1 A 82 82 GLU H H 82 8.542 8.763 -0.221 1
1 858 . 4 1 1 A 82 82 GLU HA H 82 4.350 5.146 -0.796 1
1 862 . 4 1 1 A 82 82 GLU C C 82 176.509 174.870 1.639 1
1 863 . 4 1 1 A 82 82 GLU CA C 82 56.675 54.906 1.769 1
1 864 . 4 1 1 A 82 82 GLU CB C 82 30.447 34.671 -4.224 1
1 866 . 4 1 1 A 82 82 GLU N N 82 122.687 125.512 -2.825 1
1 867 . 4 1 1 A 83 83 SER H H 83 8.418 8.669 -0.251 1
1 868 . 4 1 1 A 83 83 SER HA H 83 4.516 4.985 -0.469 1
1 871 . 4 1 1 A 83 83 SER C C 83 174.538 173.233 1.305 1
1 872 . 4 1 1 A 83 83 SER CA C 83 58.403 57.645 0.758 1
1 873 . 4 1 1 A 83 83 SER CB C 83 64.018 67.244 -3.226 1
1 874 . 4 1 1 A 83 83 SER N N 83 116.897 115.654 1.243 1
1 875 . 4 1 1 A 84 84 GLY H H 84 8.276 8.326 -0.050 1
1 876 . 4 1 1 A 84 84 GLY C C 84 171.814 171.860 -0.046 1
1 877 . 4 1 1 A 84 84 GLY CA C 84 44.722 45.763 -1.041 1
1 878 . 4 1 1 A 84 84 GLY N N 84 110.673 109.431 1.242 1
1 879 . 4 1 1 A 85 85 PRO HA H 85 4.497 4.646 -0.149 1
1 885 . 4 1 1 A 85 85 PRO C C 85 177.204 175.932 1.272 1
1 886 . 4 1 1 A 85 85 PRO CA C 85 63.290 62.511 0.779 1
1 887 . 4 1 1 A 85 85 PRO CB C 85 32.228 33.356 -1.128 1
1 890 . 4 1 1 A 86 86 SER H H 86 8.331 8.261 0.070 1
1 891 . 4 1 1 A 86 86 SER HA H 86 4.339 4.943 -0.604 1
1 892 . 4 1 1 A 86 86 SER C C 86 174.935 173.629 1.306 1
1 893 . 4 1 1 A 86 86 SER CA C 86 61.769 57.410 4.359 1
1 894 . 4 1 1 A 86 86 SER CB C 86 69.836 66.328 3.508 1
1 895 . 4 1 1 A 86 86 SER N N 86 114.681 113.550 1.131 1
1 896 . 4 1 1 A 87 87 SER H H 87 8.121 8.771 -0.650 1
1 897 . 4 1 1 A 87 87 SER CA C 87 61.963 61.141 0.822 1
1 898 . 4 1 1 A 87 87 SER CB C 87 69.818 63.793 6.025 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.975 4.037 -0.062 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.975 4.037 -0.062 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.115 173.526 0.589 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.392 45.623 -0.231 1
1 5 . 5 1 1 A 8 8 LEU H H 8 8.037 7.983 0.054 1
1 6 . 5 1 1 A 8 8 LEU HA H 8 4.347 5.085 -0.738 1
1 16 . 5 1 1 A 8 8 LEU C C 8 177.426 174.592 2.834 1
1 17 . 5 1 1 A 8 8 LEU CA C 8 55.352 54.076 1.276 1
1 18 . 5 1 1 A 8 8 LEU CB C 8 42.478 44.518 -2.040 1
1 22 . 5 1 1 A 8 8 LEU N N 8 121.686 125.719 -4.033 1
1 23 . 5 1 1 A 9 9 LYS H H 9 8.309 9.055 -0.746 1
1 24 . 5 1 1 A 9 9 LYS HA H 9 4.319 4.930 -0.611 1
1 29 . 5 1 1 A 9 9 LYS CA C 9 56.195 55.183 1.012 1
1 30 . 5 1 1 A 9 9 LYS CB C 9 32.820 34.007 -1.187 1
1 34 . 5 1 1 A 9 9 LYS N N 9 122.335 126.723 -4.388 1
1 35 . 5 1 1 A 10 10 ARG HA H 10 4.306 5.346 -1.040 1
1 42 . 5 1 1 A 10 10 ARG C C 10 175.845 174.025 1.820 1
1 43 . 5 1 1 A 10 10 ARG CA C 10 56.146 54.687 1.459 1
1 44 . 5 1 1 A 10 10 ARG CB C 10 31.005 32.293 -1.288 1
1 47 . 5 1 1 A 11 11 ASP H H 11 8.293 8.982 -0.689 1
1 48 . 5 1 1 A 11 11 ASP HA H 11 4.582 5.181 -0.599 1
1 51 . 5 1 1 A 11 11 ASP C C 11 175.382 174.608 0.774 1
1 52 . 5 1 1 A 11 11 ASP CA C 11 54.612 53.561 1.051 1
1 53 . 5 1 1 A 11 11 ASP CB C 11 41.572 43.093 -1.521 1
1 54 . 5 1 1 A 11 11 ASP N N 11 120.563 123.801 -3.238 1
1 55 . 5 1 1 A 12 12 PHE H H 12 7.961 8.341 -0.380 1
1 56 . 5 1 1 A 12 12 PHE HA H 12 4.758 5.168 -0.410 1
1 63 . 5 1 1 A 12 12 PHE C C 12 175.068 172.153 2.915 1
1 64 . 5 1 1 A 12 12 PHE CA C 12 58.990 56.382 2.608 1
1 65 . 5 1 1 A 12 12 PHE CB C 12 40.037 40.697 -0.660 1
1 70 . 5 1 1 A 12 12 PHE N N 12 118.808 118.312 0.496 1
1 71 . 5 1 1 A 13 13 ILE H H 13 8.167 8.871 -0.704 1
1 72 . 5 1 1 A 13 13 ILE HA H 13 4.167 4.745 -0.578 1
1 82 . 5 1 1 A 13 13 ILE C C 13 175.712 175.714 -0.002 1
1 83 . 5 1 1 A 13 13 ILE CA C 13 60.976 59.836 1.140 1
1 84 . 5 1 1 A 13 13 ILE CB C 13 39.277 39.736 -0.459 1
1 88 . 5 1 1 A 13 13 ILE N N 13 122.190 119.880 2.310 1
1 89 . 5 1 1 A 14 14 ILE H H 14 8.287 8.618 -0.331 1
1 90 . 5 1 1 A 14 14 ILE HA H 14 4.163 4.306 -0.143 1
1 100 . 5 1 1 A 14 14 ILE C C 14 176.116 176.893 -0.777 1
1 101 . 5 1 1 A 14 14 ILE CA C 14 61.142 61.230 -0.088 1
1 102 . 5 1 1 A 14 14 ILE CB C 14 38.438 37.800 0.638 1
1 106 . 5 1 1 A 14 14 ILE N N 14 125.550 128.376 -2.826 1
1 107 . 5 1 1 A 15 15 LEU H H 15 8.398 8.462 -0.064 1
1 108 . 5 1 1 A 15 15 LEU HA H 15 4.397 4.650 -0.253 1
1 118 . 5 1 1 A 15 15 LEU C C 15 177.749 178.176 -0.427 1
1 119 . 5 1 1 A 15 15 LEU CA C 15 55.123 53.294 1.829 1
1 120 . 5 1 1 A 15 15 LEU CB C 15 42.560 43.959 -1.399 1
1 124 . 5 1 1 A 15 15 LEU N N 15 127.408 126.256 1.152 1
1 125 . 5 1 1 A 16 16 GLY H H 16 8.347 8.702 -0.355 1
1 126 . 5 1 1 A 16 16 GLY HA2 H 16 3.964 3.824 0.140 1
1 127 . 5 1 1 A 16 16 GLY HA3 H 16 3.964 3.825 0.139 1
1 128 . 5 1 1 A 16 16 GLY C C 16 172.979 175.627 -2.648 1
1 129 . 5 1 1 A 16 16 GLY CA C 16 45.286 47.459 -2.173 1
1 130 . 5 1 1 A 16 16 GLY N N 16 109.546 107.863 1.683 1
1 131 . 5 1 1 A 17 17 ASN H H 17 7.974 7.841 0.133 1
1 132 . 5 1 1 A 17 17 ASN HA H 17 4.577 4.485 0.092 1
1 137 . 5 1 1 A 17 17 ASN C C 17 175.869 175.633 0.236 1
1 138 . 5 1 1 A 17 17 ASN CA C 17 54.665 54.935 -0.270 1
1 139 . 5 1 1 A 17 17 ASN CB C 17 40.830 38.887 1.943 1
1 140 . 5 1 1 A 17 17 ASN N N 17 124.057 118.532 5.525 1
1 142 . 5 1 1 A 18 18 GLY H H 18 8.150 8.641 -0.491 1
1 143 . 5 1 1 A 18 18 GLY HA2 H 18 4.073 4.115 -0.042 1
1 144 . 5 1 1 A 18 18 GLY HA3 H 18 4.073 4.115 -0.042 1
1 145 . 5 1 1 A 18 18 GLY C C 18 172.372 172.784 -0.412 1
1 146 . 5 1 1 A 18 18 GLY CA C 18 44.898 44.346 0.552 1
1 147 . 5 1 1 A 18 18 GLY N N 18 113.988 108.866 5.122 1
1 148 . 5 1 1 A 19 19 PRO HA H 19 4.441 4.832 -0.391 1
1 155 . 5 1 1 A 19 19 PRO C C 19 177.039 174.926 2.113 1
1 156 . 5 1 1 A 19 19 PRO CA C 19 63.268 62.547 0.721 1
1 157 . 5 1 1 A 19 19 PRO CB C 19 32.159 29.519 2.640 1
1 160 . 5 1 1 A 20 20 ARG H H 20 8.414 8.382 0.032 1
1 161 . 5 1 1 A 20 20 ARG HA H 20 4.339 4.718 -0.379 1
1 167 . 5 1 1 A 20 20 ARG C C 20 176.312 174.790 1.522 1
1 168 . 5 1 1 A 20 20 ARG CA C 20 56.111 55.304 0.807 1
1 169 . 5 1 1 A 20 20 ARG CB C 20 30.612 33.410 -2.798 1
1 172 . 5 1 1 A 20 20 ARG N N 20 120.839 124.174 -3.335 1
1 173 . 5 1 1 A 21 21 LEU H H 21 8.306 8.688 -0.382 1
1 174 . 5 1 1 A 21 21 LEU HA H 21 4.405 4.248 0.157 1
1 183 . 5 1 1 A 21 21 LEU C C 21 177.403 176.404 0.999 1
1 184 . 5 1 1 A 21 21 LEU CA C 21 55.141 55.553 -0.412 1
1 185 . 5 1 1 A 21 21 LEU CB C 21 42.190 42.009 0.181 1
1 189 . 5 1 1 A 21 21 LEU N N 21 123.561 126.830 -3.269 1
1 190 . 5 1 1 A 22 22 GLN H H 22 8.406 8.514 -0.108 1
1 191 . 5 1 1 A 22 22 GLN HA H 22 4.336 4.640 -0.304 1
1 198 . 5 1 1 A 22 22 GLN C C 22 175.699 174.296 1.403 1
1 199 . 5 1 1 A 22 22 GLN CA C 22 56.181 54.974 1.207 1
1 200 . 5 1 1 A 22 22 GLN CB C 22 29.492 27.837 1.655 1
1 202 . 5 1 1 A 22 22 GLN N N 22 120.835 124.119 -3.284 1
1 204 . 5 1 1 A 24 24 SER HA H 24 4.451 5.291 -0.840 1
1 207 . 5 1 1 A 24 24 SER C C 24 173.514 173.137 0.377 1
1 208 . 5 1 1 A 24 24 SER CA C 24 58.579 56.892 1.687 1
1 209 . 5 1 1 A 24 24 SER CB C 24 63.967 65.367 -1.400 1
1 210 . 5 1 1 A 25 25 THR H H 25 7.806 8.915 -1.109 1
1 211 . 5 1 1 A 25 25 THR HA H 25 4.348 5.848 -1.500 1
1 216 . 5 1 1 A 25 25 THR C C 25 173.359 173.659 -0.300 1
1 217 . 5 1 1 A 25 25 THR CA C 25 61.593 60.328 1.265 1
1 218 . 5 1 1 A 25 25 THR CB C 25 70.716 70.812 -0.096 1
1 220 . 5 1 1 A 25 25 THR N N 25 114.185 115.915 -1.730 1
1 221 . 5 1 1 A 26 26 TYR H H 26 8.598 9.817 -1.219 1
1 222 . 5 1 1 A 26 26 TYR HA H 26 4.670 4.850 -0.180 1
1 229 . 5 1 1 A 26 26 TYR C C 26 174.444 175.269 -0.825 1
1 230 . 5 1 1 A 26 26 TYR CA C 26 56.798 58.076 -1.278 1
1 231 . 5 1 1 A 26 26 TYR CB C 26 39.717 38.561 1.156 1
1 236 . 5 1 1 A 26 26 TYR N N 26 121.326 125.354 -4.028 1
1 237 . 5 1 1 A 27 27 GLN H H 27 8.528 8.728 -0.200 1
1 238 . 5 1 1 A 27 27 GLN HA H 27 4.670 4.980 -0.310 1
1 245 . 5 1 1 A 27 27 GLN C C 27 175.055 175.509 -0.454 1
1 246 . 5 1 1 A 27 27 GLN CA C 27 54.718 55.331 -0.613 1
1 247 . 5 1 1 A 27 27 GLN CB C 27 30.938 29.035 1.903 1
1 249 . 5 1 1 A 27 27 GLN N N 27 123.045 124.186 -1.141 1
1 251 . 5 1 1 A 28 28 CYS H H 28 8.682 8.256 0.426 1
1 252 . 5 1 1 A 28 28 CYS HA H 28 4.331 4.521 -0.190 1
1 255 . 5 1 1 A 28 28 CYS C C 28 176.610 175.895 0.715 1
1 256 . 5 1 1 A 28 28 CYS CA C 28 60.394 59.648 0.746 1
1 257 . 5 1 1 A 28 28 CYS CB C 28 29.850 28.685 1.165 1
1 258 . 5 1 1 A 28 28 CYS N N 28 129.276 125.135 4.141 1
1 259 . 5 1 1 A 29 29 LYS H H 29 8.454 8.629 -0.175 1
1 260 . 5 1 1 A 29 29 LYS HA H 29 4.257 4.733 -0.476 1
1 269 . 5 1 1 A 29 29 LYS C C 29 176.581 176.681 -0.100 1
1 270 . 5 1 1 A 29 29 LYS CA C 29 57.584 56.397 1.187 1
1 271 . 5 1 1 A 29 29 LYS CB C 29 32.145 32.904 -0.759 1
1 275 . 5 1 1 A 29 29 LYS N N 29 127.445 122.831 4.614 1
1 276 . 5 1 1 A 30 30 HIS H H 30 9.625 8.015 1.610 1
1 277 . 5 1 1 A 30 30 HIS HA H 30 4.608 4.544 0.064 1
1 281 . 5 1 1 A 30 30 HIS C C 30 175.524 176.562 -1.038 1
1 282 . 5 1 1 A 30 30 HIS CA C 30 56.956 57.201 -0.245 1
1 283 . 5 1 1 A 30 30 HIS CB C 30 30.732 31.359 -0.627 1
1 285 . 5 1 1 A 30 30 HIS N N 30 121.657 116.754 4.903 1
1 286 . 5 1 1 A 31 31 CYS H H 31 8.086 8.011 0.075 1
1 287 . 5 1 1 A 31 31 CYS HA H 31 5.078 4.533 0.545 1
1 290 . 5 1 1 A 31 31 CYS C C 31 173.769 174.452 -0.683 1
1 291 . 5 1 1 A 31 31 CYS CA C 31 58.349 58.312 0.037 1
1 292 . 5 1 1 A 31 31 CYS CB C 31 31.268 29.830 1.438 1
1 293 . 5 1 1 A 31 31 CYS N N 31 118.457 113.596 4.861 1
1 294 . 5 1 1 A 32 32 ASP H H 32 8.135 8.172 -0.037 1
1 295 . 5 1 1 A 32 32 ASP HA H 32 4.637 4.460 0.177 1
1 298 . 5 1 1 A 32 32 ASP C C 32 176.540 174.762 1.778 1
1 299 . 5 1 1 A 32 32 ASP CA C 32 55.687 55.510 0.177 1
1 300 . 5 1 1 A 32 32 ASP CB C 32 40.418 39.070 1.348 1
1 301 . 5 1 1 A 32 32 ASP N N 32 116.820 118.732 -1.912 1
1 302 . 5 1 1 A 33 33 SER H H 33 8.667 7.871 0.796 1
1 303 . 5 1 1 A 33 33 SER HA H 33 4.267 4.643 -0.376 1
1 306 . 5 1 1 A 33 33 SER C C 33 172.462 173.319 -0.857 1
1 307 . 5 1 1 A 33 33 SER CA C 33 61.452 56.572 4.880 1
1 308 . 5 1 1 A 33 33 SER CB C 33 63.893 65.123 -1.230 1
1 309 . 5 1 1 A 33 33 SER N N 33 119.488 112.296 7.192 1
1 310 . 5 1 1 A 34 34 LYS H H 34 8.389 8.386 0.003 1
1 311 . 5 1 1 A 34 34 LYS HA H 34 4.747 5.052 -0.305 1
1 320 . 5 1 1 A 34 34 LYS C C 34 175.517 175.332 0.185 1
1 321 . 5 1 1 A 34 34 LYS CA C 34 55.476 55.059 0.417 1
1 322 . 5 1 1 A 34 34 LYS CB C 34 33.526 34.500 -0.974 1
1 326 . 5 1 1 A 34 34 LYS N N 34 122.954 121.206 1.748 1
1 327 . 5 1 1 A 35 35 LEU H H 35 8.825 8.894 -0.069 1
1 328 . 5 1 1 A 35 35 LEU HA H 35 4.847 4.768 0.079 1
1 338 . 5 1 1 A 35 35 LEU C C 35 177.476 177.924 -0.448 1
1 339 . 5 1 1 A 35 35 LEU CA C 35 52.673 53.316 -0.643 1
1 340 . 5 1 1 A 35 35 LEU CB C 35 42.115 43.727 -1.612 1
1 344 . 5 1 1 A 35 35 LEU N N 35 126.489 125.020 1.469 1
1 345 . 5 1 1 A 36 36 GLN H H 36 8.883 8.454 0.429 1
1 346 . 5 1 1 A 36 36 GLN HA H 36 4.565 4.177 0.388 1
1 353 . 5 1 1 A 36 36 GLN C C 36 175.227 176.143 -0.916 1
1 354 . 5 1 1 A 36 36 GLN CA C 36 56.763 58.240 -1.477 1
1 355 . 5 1 1 A 36 36 GLN CB C 36 30.225 29.633 0.592 1
1 357 . 5 1 1 A 36 36 GLN N N 36 116.410 121.570 -5.160 1
1 359 . 5 1 1 A 37 37 SER H H 37 7.345 7.630 -0.285 1
1 360 . 5 1 1 A 37 37 SER HA H 37 4.569 3.980 0.589 1
1 363 . 5 1 1 A 37 37 SER C C 37 179.414 173.412 6.002 1
1 364 . 5 1 1 A 37 37 SER CA C 37 56.780 56.904 -0.124 1
1 365 . 5 1 1 A 37 37 SER CB C 37 66.444 66.787 -0.343 1
1 366 . 5 1 1 A 37 37 SER N N 37 110.125 112.918 -2.793 1
1 367 . 5 1 1 A 38 38 THR H H 38 8.099 8.226 -0.127 1
1 368 . 5 1 1 A 38 38 THR HA H 38 3.627 3.623 0.004 1
1 373 . 5 1 1 A 38 38 THR CA C 38 65.831 66.400 -0.569 1
1 374 . 5 1 1 A 38 38 THR CB C 38 68.118 68.764 -0.646 1
1 376 . 5 1 1 A 38 38 THR N N 38 121.696 115.930 5.766 1
1 377 . 5 1 1 A 39 39 ALA HA H 39 4.155 4.002 0.153 1
1 381 . 5 1 1 A 39 39 ALA C C 39 180.623 179.401 1.222 1
1 382 . 5 1 1 A 39 39 ALA CA C 39 55.406 55.409 -0.003 1
1 383 . 5 1 1 A 39 39 ALA CB C 39 18.098 18.597 -0.499 1
1 384 . 5 1 1 A 40 40 GLU H H 40 7.881 7.876 0.005 1
1 385 . 5 1 1 A 40 40 GLU HA H 40 4.114 4.127 -0.013 1
1 390 . 5 1 1 A 40 40 GLU C C 40 179.352 178.824 0.528 1
1 391 . 5 1 1 A 40 40 GLU CA C 40 58.914 59.147 -0.233 1
1 392 . 5 1 1 A 40 40 GLU CB C 40 30.822 29.769 1.053 1
1 394 . 5 1 1 A 40 40 GLU N N 40 118.475 117.953 0.522 1
1 395 . 5 1 1 A 41 41 LEU H H 41 8.096 7.951 0.145 1
1 396 . 5 1 1 A 41 41 LEU HA H 41 4.115 4.063 0.052 1
1 406 . 5 1 1 A 41 41 LEU C C 41 177.620 178.715 -1.095 1
1 407 . 5 1 1 A 41 41 LEU CA C 41 58.841 57.984 0.857 1
1 408 . 5 1 1 A 41 41 LEU CB C 41 41.442 41.668 -0.226 1
1 412 . 5 1 1 A 41 41 LEU N N 41 121.715 122.382 -0.667 1
1 413 . 5 1 1 A 42 42 THR H H 42 8.599 8.342 0.257 1
1 414 . 5 1 1 A 42 42 THR HA H 42 3.860 3.920 -0.060 1
1 419 . 5 1 1 A 42 42 THR C C 42 176.761 176.331 0.430 1
1 420 . 5 1 1 A 42 42 THR CA C 42 67.345 65.914 1.431 1
1 421 . 5 1 1 A 42 42 THR CB C 42 68.758 68.742 0.016 1
1 423 . 5 1 1 A 42 42 THR N N 42 115.801 115.266 0.535 1
1 424 . 5 1 1 A 43 43 SER H H 43 7.833 7.918 -0.085 1
1 425 . 5 1 1 A 43 43 SER HA H 43 4.251 4.366 -0.115 1
1 428 . 5 1 1 A 43 43 SER C C 43 176.836 176.711 0.125 1
1 429 . 5 1 1 A 43 43 SER CA C 43 61.646 61.207 0.439 1
1 430 . 5 1 1 A 43 43 SER CB C 43 62.750 63.080 -0.330 1
1 431 . 5 1 1 A 43 43 SER N N 43 115.657 116.512 -0.855 1
1 432 . 5 1 1 A 44 44 HIS H H 44 8.415 8.072 0.343 1
1 433 . 5 1 1 A 44 44 HIS HA H 44 4.182 4.146 0.036 1
1 438 . 5 1 1 A 44 44 HIS C C 44 177.125 176.988 0.137 1
1 439 . 5 1 1 A 44 44 HIS CA C 44 60.094 60.200 -0.106 1
1 440 . 5 1 1 A 44 44 HIS CB C 44 28.846 30.119 -1.273 1
1 443 . 5 1 1 A 44 44 HIS N N 44 122.271 121.862 0.409 1
1 444 . 5 1 1 A 45 45 LEU H H 45 8.854 8.854 0.000 1
1 445 . 5 1 1 A 45 45 LEU HA H 45 4.100 3.631 0.469 1
1 455 . 5 1 1 A 45 45 LEU C C 45 179.448 179.098 0.350 1
1 456 . 5 1 1 A 45 45 LEU CA C 45 58.297 57.861 0.436 1
1 457 . 5 1 1 A 45 45 LEU CB C 45 41.666 41.204 0.462 1
1 461 . 5 1 1 A 45 45 LEU N N 45 118.289 119.475 -1.186 1
1 462 . 5 1 1 A 46 46 ASN H H 46 7.730 8.273 -0.543 1
1 463 . 5 1 1 A 46 46 ASN HA H 46 4.502 4.869 -0.367 1
1 468 . 5 1 1 A 46 46 ASN C C 46 177.759 178.164 -0.405 1
1 469 . 5 1 1 A 46 46 ASN CA C 46 56.163 56.538 -0.375 1
1 470 . 5 1 1 A 46 46 ASN CB C 46 38.069 38.210 -0.141 1
1 471 . 5 1 1 A 46 46 ASN N N 46 117.155 118.070 -0.915 1
1 473 . 5 1 1 A 47 47 ILE H H 47 7.670 7.650 0.020 1
1 474 . 5 1 1 A 47 47 ILE HA H 47 3.787 3.664 0.123 1
1 484 . 5 1 1 A 47 47 ILE C C 47 178.447 178.469 -0.022 1
1 485 . 5 1 1 A 47 47 ILE CA C 47 64.273 64.261 0.012 1
1 486 . 5 1 1 A 47 47 ILE CB C 47 37.214 36.926 0.288 1
1 490 . 5 1 1 A 47 47 ILE N N 47 119.392 119.707 -0.315 1
1 491 . 5 1 1 A 48 48 HIS H H 48 6.999 7.760 -0.761 1
1 492 . 5 1 1 A 48 48 HIS HA H 48 4.437 4.326 0.111 1
1 497 . 5 1 1 A 48 48 HIS C C 48 175.932 177.229 -1.297 1
1 498 . 5 1 1 A 48 48 HIS CA C 48 56.855 59.182 -2.327 1
1 499 . 5 1 1 A 48 48 HIS CB C 48 27.971 29.942 -1.971 1
1 502 . 5 1 1 A 48 48 HIS N N 48 116.931 119.612 -2.681 1
1 503 . 5 1 1 A 49 49 ASN H H 49 8.059 8.064 -0.005 1
1 504 . 5 1 1 A 49 49 ASN HA H 49 4.555 4.497 0.058 1
1 509 . 5 1 1 A 49 49 ASN C C 49 177.139 177.468 -0.329 1
1 510 . 5 1 1 A 49 49 ASN CA C 49 55.552 56.252 -0.700 1
1 511 . 5 1 1 A 49 49 ASN CB C 49 38.495 38.046 0.449 1
1 512 . 5 1 1 A 49 49 ASN N N 49 118.208 116.314 1.894 1
1 514 . 5 1 1 A 50 50 GLU H H 50 8.336 8.084 0.252 1
1 515 . 5 1 1 A 50 50 GLU HA H 50 4.090 4.134 -0.044 1
1 520 . 5 1 1 A 50 50 GLU C C 50 178.637 178.500 0.137 1
1 521 . 5 1 1 A 50 50 GLU CA C 50 59.246 59.403 -0.157 1
1 522 . 5 1 1 A 50 50 GLU CB C 50 29.582 29.318 0.264 1
1 524 . 5 1 1 A 50 50 GLU N N 50 121.316 118.266 3.050 1
1 525 . 5 1 1 A 51 51 GLU H H 51 7.932 8.347 -0.415 1
1 526 . 5 1 1 A 51 51 GLU HA H 51 4.093 4.056 0.037 1
1 531 . 5 1 1 A 51 51 GLU C C 51 179.088 179.120 -0.032 1
1 532 . 5 1 1 A 51 51 GLU CA C 51 59.037 59.002 0.035 1
1 533 . 5 1 1 A 51 51 GLU CB C 51 29.183 29.576 -0.393 1
1 535 . 5 1 1 A 51 51 GLU N N 51 120.058 119.844 0.214 1
1 536 . 5 1 1 A 52 52 PHE H H 52 8.345 8.214 0.131 1
1 537 . 5 1 1 A 52 52 PHE HA H 52 4.411 4.106 0.305 1
1 545 . 5 1 1 A 52 52 PHE C C 52 178.654 177.775 0.879 1
1 546 . 5 1 1 A 52 52 PHE CA C 52 59.523 61.649 -2.126 1
1 547 . 5 1 1 A 52 52 PHE CB C 52 38.261 39.413 -1.152 1
1 553 . 5 1 1 A 52 52 PHE N N 52 119.698 121.206 -1.508 1
1 554 . 5 1 1 A 53 53 GLN H H 53 8.197 8.365 -0.168 1
1 555 . 5 1 1 A 53 53 GLN HA H 53 4.153 3.960 0.193 1
1 562 . 5 1 1 A 53 53 GLN C C 53 178.059 178.653 -0.594 1
1 563 . 5 1 1 A 53 53 GLN CA C 53 58.120 59.599 -1.479 1
1 564 . 5 1 1 A 53 53 GLN CB C 53 28.591 28.766 -0.175 1
1 566 . 5 1 1 A 53 53 GLN N N 53 118.967 118.421 0.546 1
1 568 . 5 1 1 A 54 54 LYS H H 54 8.008 7.682 0.326 1
1 569 . 5 1 1 A 54 54 LYS HA H 54 4.118 4.003 0.115 1
1 577 . 5 1 1 A 54 54 LYS C C 54 178.686 178.989 -0.303 1
1 578 . 5 1 1 A 54 54 LYS CA C 54 59.002 59.938 -0.936 1
1 579 . 5 1 1 A 54 54 LYS CB C 54 32.608 32.226 0.382 1
1 583 . 5 1 1 A 54 54 LYS N N 54 119.791 119.640 0.151 1
1 584 . 5 1 1 A 55 55 ARG H H 55 7.978 7.995 -0.017 1
1 585 . 5 1 1 A 55 55 ARG HA H 55 4.136 4.029 0.107 1
1 592 . 5 1 1 A 55 55 ARG C C 55 177.610 175.844 1.766 1
1 593 . 5 1 1 A 55 55 ARG CA C 55 58.183 58.983 -0.800 1
1 594 . 5 1 1 A 55 55 ARG CB C 55 30.410 29.698 0.712 1
1 597 . 5 1 1 A 55 55 ARG N N 55 119.619 119.557 0.062 1
1 598 . 5 1 1 A 56 56 ALA H H 56 8.008 7.931 0.077 1
1 599 . 5 1 1 A 56 56 ALA HA H 56 4.196 3.830 0.366 1
1 603 . 5 1 1 A 56 56 ALA C C 56 179.269 176.780 2.489 1
1 604 . 5 1 1 A 56 56 ALA CA C 56 53.930 52.973 0.957 1
1 605 . 5 1 1 A 56 56 ALA CB C 56 18.539 17.255 1.284 1
1 606 . 5 1 1 A 56 56 ALA N N 56 122.850 120.398 2.452 1
1 607 . 5 1 1 A 57 57 LYS H H 57 8.014 7.672 0.342 1
1 608 . 5 1 1 A 57 57 LYS HA H 57 4.225 3.985 0.240 1
1 617 . 5 1 1 A 57 57 LYS C C 57 177.892 176.107 1.785 1
1 618 . 5 1 1 A 57 57 LYS CA C 57 57.504 57.016 0.488 1
1 619 . 5 1 1 A 57 57 LYS CB C 57 32.646 33.138 -0.492 1
1 623 . 5 1 1 A 57 57 LYS N N 57 118.986 118.436 0.550 1
1 624 . 5 1 1 A 58 58 ARG H H 58 8.039 8.332 -0.293 1
1 625 . 5 1 1 A 58 58 ARG HA H 58 4.229 4.123 0.106 1
1 632 . 5 1 1 A 58 58 ARG C C 58 177.156 176.459 0.697 1
1 633 . 5 1 1 A 58 58 ARG CA C 58 57.425 57.217 0.208 1
1 634 . 5 1 1 A 58 58 ARG CB C 58 30.561 30.737 -0.176 1
1 637 . 5 1 1 A 58 58 ARG N N 58 120.747 126.083 -5.336 1
1 638 . 5 1 1 A 59 59 GLN H H 59 8.195 8.542 -0.347 1
1 639 . 5 1 1 A 59 59 GLN HA H 59 4.228 4.656 -0.428 1
1 644 . 5 1 1 A 59 59 GLN CA C 59 57.412 54.904 2.508 1
1 645 . 5 1 1 A 59 59 GLN CB C 59 32.773 32.840 -0.067 1
1 647 . 5 1 1 A 59 59 GLN N N 59 121.145 122.884 -1.739 1
1 648 . 5 1 1 A 60 60 GLU HA H 60 4.256 4.538 -0.282 1
1 653 . 5 1 1 A 60 60 GLU CA C 60 56.093 56.012 0.081 1
1 654 . 5 1 1 A 60 60 GLU CB C 60 29.429 28.387 1.042 1
1 656 . 5 1 1 A 63 63 LYS HA H 63 4.263 5.012 -0.749 1
1 663 . 5 1 1 A 63 63 LYS CA C 63 56.908 54.943 1.965 1
1 664 . 5 1 1 A 63 63 LYS CB C 63 32.778 36.132 -3.354 1
1 665 . 5 1 1 A 64 64 GLN H H 64 8.261 8.468 -0.207 1
1 666 . 5 1 1 A 64 64 GLN HA H 64 4.253 4.323 -0.070 1
1 673 . 5 1 1 A 64 64 GLN C C 64 176.687 175.747 0.940 1
1 674 . 5 1 1 A 64 64 GLN CA C 64 56.780 56.170 0.610 1
1 675 . 5 1 1 A 64 64 GLN CB C 64 29.198 28.389 0.809 1
1 677 . 5 1 1 A 64 64 GLN N N 64 120.299 121.192 -0.893 1
1 679 . 5 1 1 A 65 65 LEU H H 65 8.190 8.451 -0.261 1
1 680 . 5 1 1 A 65 65 LEU HA H 65 4.306 4.175 0.131 1
1 690 . 5 1 1 A 65 65 LEU C C 65 177.894 177.438 0.456 1
1 691 . 5 1 1 A 65 65 LEU CA C 65 55.952 55.873 0.079 1
1 692 . 5 1 1 A 65 65 LEU CB C 65 42.313 41.810 0.503 1
1 696 . 5 1 1 A 65 65 LEU N N 65 122.723 125.479 -2.756 1
1 697 . 5 1 1 A 66 66 LEU H H 66 8.165 8.281 -0.116 1
1 698 . 5 1 1 A 66 66 LEU HA H 66 4.305 4.248 0.057 1
1 708 . 5 1 1 A 66 66 LEU C C 66 177.867 176.687 1.180 1
1 709 . 5 1 1 A 66 66 LEU CA C 66 55.775 54.518 1.257 1
1 710 . 5 1 1 A 66 66 LEU CB C 66 42.336 42.995 -0.659 1
1 714 . 5 1 1 A 66 66 LEU N N 66 121.812 123.723 -1.911 1
1 715 . 5 1 1 A 67 67 SER H H 67 8.104 8.648 -0.544 1
1 716 . 5 1 1 A 67 67 SER CA C 67 58.896 56.315 2.581 1
1 717 . 5 1 1 A 67 67 SER CB C 67 63.674 66.029 -2.355 1
1 718 . 5 1 1 A 67 67 SER N N 67 115.632 113.826 1.806 1
1 719 . 5 1 1 A 69 69 GLN HA H 69 4.221 5.083 -0.862 1
1 724 . 5 1 1 A 69 69 GLN CA C 69 57.547 54.566 2.981 1
1 725 . 5 1 1 A 69 69 GLN CB C 69 30.314 32.801 -2.487 1
1 727 . 5 1 1 A 70 70 LYS H H 70 8.255 8.904 -0.649 1
1 728 . 5 1 1 A 70 70 LYS HA H 70 4.220 5.181 -0.961 1
1 737 . 5 1 1 A 70 70 LYS C C 70 176.303 174.410 1.893 1
1 738 . 5 1 1 A 70 70 LYS CA C 70 56.639 54.679 1.960 1
1 739 . 5 1 1 A 70 70 LYS CB C 70 33.080 36.258 -3.178 1
1 743 . 5 1 1 A 70 70 LYS N N 70 121.417 121.572 -0.155 1
1 744 . 5 1 1 A 71 71 TYR H H 71 8.142 9.316 -1.174 1
1 745 . 5 1 1 A 71 71 TYR HA H 71 4.571 4.989 -0.418 1
1 752 . 5 1 1 A 71 71 TYR C C 71 175.736 174.996 0.740 1
1 753 . 5 1 1 A 71 71 TYR CA C 71 57.768 56.654 1.114 1
1 754 . 5 1 1 A 71 71 TYR CB C 71 38.894 40.320 -1.426 1
1 759 . 5 1 1 A 71 71 TYR N N 71 120.561 120.486 0.075 1
1 760 . 5 1 1 A 72 72 ALA H H 72 8.237 8.619 -0.382 1
1 761 . 5 1 1 A 72 72 ALA HA H 72 4.292 4.298 -0.006 1
1 765 . 5 1 1 A 72 72 ALA C C 72 177.276 176.592 0.684 1
1 766 . 5 1 1 A 72 72 ALA CA C 72 52.642 53.106 -0.464 1
1 767 . 5 1 1 A 72 72 ALA CB C 72 19.405 19.107 0.298 1
1 768 . 5 1 1 A 72 72 ALA N N 72 125.192 128.175 -2.983 1
1 769 . 5 1 1 A 73 73 ASP H H 73 8.220 8.743 -0.523 1
1 770 . 5 1 1 A 73 73 ASP HA H 73 4.549 5.600 -1.051 1
1 773 . 5 1 1 A 73 73 ASP C C 73 176.922 175.189 1.733 1
1 774 . 5 1 1 A 73 73 ASP CA C 73 54.682 52.425 2.257 1
1 775 . 5 1 1 A 73 73 ASP CB C 73 41.239 44.673 -3.434 1
1 776 . 5 1 1 A 73 73 ASP N N 73 119.269 123.126 -3.857 1
1 777 . 5 1 1 A 74 74 GLY H H 74 8.269 8.323 -0.054 1
1 778 . 5 1 1 A 74 74 GLY HA2 H 74 3.963 4.309 -0.346 1
1 779 . 5 1 1 A 74 74 GLY HA3 H 74 3.879 4.314 -0.435 1
1 780 . 5 1 1 A 74 74 GLY C C 74 174.132 171.933 2.199 1
1 781 . 5 1 1 A 74 74 GLY CA C 74 45.551 46.183 -0.632 1
1 782 . 5 1 1 A 74 74 GLY N N 74 109.209 110.218 -1.009 1
1 783 . 5 1 1 A 75 75 ALA H H 75 8.048 8.601 -0.553 1
1 784 . 5 1 1 A 75 75 ALA HA H 75 4.221 5.285 -1.064 1
1 788 . 5 1 1 A 75 75 ALA C C 75 177.507 175.737 1.770 1
1 789 . 5 1 1 A 75 75 ALA CA C 75 52.638 50.810 1.828 1
1 790 . 5 1 1 A 75 75 ALA CB C 75 19.281 23.155 -3.874 1
1 791 . 5 1 1 A 75 75 ALA N N 75 123.382 125.169 -1.787 1
1 792 . 5 1 1 A 76 76 PHE H H 76 8.126 8.880 -0.754 1
1 793 . 5 1 1 A 76 76 PHE HA H 76 4.541 4.737 -0.196 1
1 798 . 5 1 1 A 76 76 PHE C C 76 175.620 175.399 0.221 1
1 799 . 5 1 1 A 76 76 PHE CA C 76 57.733 59.088 -1.355 1
1 800 . 5 1 1 A 76 76 PHE CB C 76 39.429 40.150 -0.721 1
1 801 . 5 1 1 A 76 76 PHE N N 76 118.540 122.912 -4.372 1
1 802 . 5 1 1 A 77 77 ALA H H 77 8.017 7.162 0.855 1
1 803 . 5 1 1 A 77 77 ALA HA H 77 4.207 3.999 0.208 1
1 807 . 5 1 1 A 77 77 ALA C C 77 176.990 176.364 0.626 1
1 808 . 5 1 1 A 77 77 ALA CA C 77 52.602 52.660 -0.058 1
1 809 . 5 1 1 A 77 77 ALA CB C 77 19.528 18.582 0.946 1
1 810 . 5 1 1 A 77 77 ALA N N 77 124.826 125.075 -0.249 1
1 811 . 5 1 1 A 78 78 ASP H H 78 8.061 8.902 -0.841 1
1 812 . 5 1 1 A 78 78 ASP HA H 78 4.538 5.461 -0.923 1
1 815 . 5 1 1 A 78 78 ASP C C 78 175.908 174.863 1.045 1
1 816 . 5 1 1 A 78 78 ASP CA C 78 54.189 52.926 1.263 1
1 817 . 5 1 1 A 78 78 ASP CB C 78 41.242 43.963 -2.721 1
1 818 . 5 1 1 A 78 78 ASP N N 78 119.019 124.164 -5.145 1
1 819 . 5 1 1 A 79 79 PHE H H 79 8.023 8.558 -0.535 1
1 820 . 5 1 1 A 79 79 PHE HA H 79 4.586 5.094 -0.508 1
1 825 . 5 1 1 A 79 79 PHE C C 79 175.551 172.616 2.935 1
1 826 . 5 1 1 A 79 79 PHE CA C 79 57.891 55.940 1.951 1
1 827 . 5 1 1 A 79 79 PHE CB C 79 39.484 40.966 -1.482 1
1 828 . 5 1 1 A 79 79 PHE N N 79 120.449 119.146 1.303 1
1 829 . 5 1 1 A 80 80 LYS H H 80 8.161 8.516 -0.355 1
1 830 . 5 1 1 A 80 80 LYS HA H 80 4.251 4.318 -0.067 1
1 836 . 5 1 1 A 80 80 LYS C C 80 176.027 176.363 -0.336 1
1 837 . 5 1 1 A 80 80 LYS CA C 80 56.233 56.518 -0.285 1
1 838 . 5 1 1 A 80 80 LYS CB C 80 33.084 33.325 -0.241 1
1 842 . 5 1 1 A 80 80 LYS N N 80 123.309 120.946 2.363 1
1 843 . 5 1 1 A 81 81 GLN H H 81 8.329 8.556 -0.227 1
1 844 . 5 1 1 A 81 81 GLN HA H 81 4.284 4.612 -0.328 1
1 851 . 5 1 1 A 81 81 GLN C C 81 176.009 176.378 -0.369 1
1 852 . 5 1 1 A 81 81 GLN CA C 81 55.952 54.464 1.488 1
1 853 . 5 1 1 A 81 81 GLN CB C 81 29.623 31.049 -1.426 1
1 855 . 5 1 1 A 81 81 GLN N N 81 121.944 123.779 -1.835 1
1 857 . 5 1 1 A 82 82 GLU H H 82 8.542 8.882 -0.340 1
1 858 . 5 1 1 A 82 82 GLU HA H 82 4.350 4.094 0.256 1
1 862 . 5 1 1 A 82 82 GLU C C 82 176.509 176.312 0.197 1
1 863 . 5 1 1 A 82 82 GLU CA C 82 56.675 57.281 -0.606 1
1 864 . 5 1 1 A 82 82 GLU CB C 82 30.447 27.463 2.984 1
1 866 . 5 1 1 A 82 82 GLU N N 82 122.687 122.845 -0.158 1
1 867 . 5 1 1 A 83 83 SER H H 83 8.418 7.790 0.628 1
1 868 . 5 1 1 A 83 83 SER HA H 83 4.516 4.424 0.092 1
1 871 . 5 1 1 A 83 83 SER C C 83 174.538 174.802 -0.264 1
1 872 . 5 1 1 A 83 83 SER CA C 83 58.403 58.112 0.291 1
1 873 . 5 1 1 A 83 83 SER CB C 83 64.018 64.550 -0.532 1
1 874 . 5 1 1 A 83 83 SER N N 83 116.897 116.079 0.818 1
1 875 . 5 1 1 A 84 84 GLY H H 84 8.276 8.503 -0.227 1
1 876 . 5 1 1 A 84 84 GLY C C 84 171.814 173.106 -1.292 1
1 877 . 5 1 1 A 84 84 GLY CA C 84 44.722 44.611 0.111 1
1 878 . 5 1 1 A 84 84 GLY N N 84 110.673 108.434 2.239 1
1 879 . 5 1 1 A 85 85 PRO HA H 85 4.497 4.556 -0.059 1
1 885 . 5 1 1 A 85 85 PRO C C 85 177.204 175.552 1.652 1
1 886 . 5 1 1 A 85 85 PRO CA C 85 63.290 62.438 0.852 1
1 887 . 5 1 1 A 85 85 PRO CB C 85 32.228 32.617 -0.389 1
1 890 . 5 1 1 A 86 86 SER H H 86 8.331 8.269 0.062 1
1 891 . 5 1 1 A 86 86 SER HA H 86 4.339 4.952 -0.613 1
1 892 . 5 1 1 A 86 86 SER C C 86 174.935 174.548 0.387 1
1 893 . 5 1 1 A 86 86 SER CA C 86 61.769 57.290 4.479 1
1 894 . 5 1 1 A 86 86 SER CB C 86 69.836 66.145 3.691 1
1 895 . 5 1 1 A 86 86 SER N N 86 114.681 117.374 -2.693 1
1 896 . 5 1 1 A 87 87 SER H H 87 8.121 8.800 -0.679 1
1 897 . 5 1 1 A 87 87 SER CA C 87 61.963 58.352 3.611 1
1 898 . 5 1 1 A 87 87 SER CB C 87 69.818 64.712 5.106 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.975 4.388 -0.413 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.975 4.388 -0.413 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.115 172.271 1.844 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.392 44.256 1.136 1
1 5 . 6 1 1 A 8 8 LEU H H 8 8.037 8.765 -0.728 1
1 6 . 6 1 1 A 8 8 LEU HA H 8 4.347 4.941 -0.594 1
1 16 . 6 1 1 A 8 8 LEU C C 8 177.426 174.516 2.910 1
1 17 . 6 1 1 A 8 8 LEU CA C 8 55.352 54.418 0.934 1
1 18 . 6 1 1 A 8 8 LEU CB C 8 42.478 44.962 -2.484 1
1 22 . 6 1 1 A 8 8 LEU N N 8 121.686 121.979 -0.293 1
1 23 . 6 1 1 A 9 9 LYS H H 9 8.309 8.879 -0.570 1
1 24 . 6 1 1 A 9 9 LYS HA H 9 4.319 5.072 -0.753 1
1 29 . 6 1 1 A 9 9 LYS CA C 9 56.195 54.937 1.258 1
1 30 . 6 1 1 A 9 9 LYS CB C 9 32.820 35.222 -2.402 1
1 34 . 6 1 1 A 9 9 LYS N N 9 122.335 126.194 -3.859 1
1 35 . 6 1 1 A 10 10 ARG HA H 10 4.306 4.704 -0.398 1
1 42 . 6 1 1 A 10 10 ARG C C 10 175.845 174.049 1.796 1
1 43 . 6 1 1 A 10 10 ARG CA C 10 56.146 55.800 0.346 1
1 44 . 6 1 1 A 10 10 ARG CB C 10 31.005 33.043 -2.038 1
1 47 . 6 1 1 A 11 11 ASP H H 11 8.293 9.033 -0.740 1
1 48 . 6 1 1 A 11 11 ASP HA H 11 4.582 5.531 -0.949 1
1 51 . 6 1 1 A 11 11 ASP C C 11 175.382 175.420 -0.038 1
1 52 . 6 1 1 A 11 11 ASP CA C 11 54.612 52.615 1.997 1
1 53 . 6 1 1 A 11 11 ASP CB C 11 41.572 43.068 -1.496 1
1 54 . 6 1 1 A 11 11 ASP N N 11 120.563 124.710 -4.147 1
1 55 . 6 1 1 A 12 12 PHE H H 12 7.961 8.594 -0.633 1
1 56 . 6 1 1 A 12 12 PHE HA H 12 4.758 5.401 -0.643 1
1 63 . 6 1 1 A 12 12 PHE C C 12 175.068 173.376 1.692 1
1 64 . 6 1 1 A 12 12 PHE CA C 12 58.990 55.354 3.636 1
1 65 . 6 1 1 A 12 12 PHE CB C 12 40.037 41.516 -1.479 1
1 70 . 6 1 1 A 12 12 PHE N N 12 118.808 115.530 3.278 1
1 71 . 6 1 1 A 13 13 ILE H H 13 8.167 8.423 -0.256 1
1 72 . 6 1 1 A 13 13 ILE HA H 13 4.167 4.413 -0.246 1
1 82 . 6 1 1 A 13 13 ILE C C 13 175.712 175.313 0.399 1
1 83 . 6 1 1 A 13 13 ILE CA C 13 60.976 60.601 0.375 1
1 84 . 6 1 1 A 13 13 ILE CB C 13 39.277 38.518 0.759 1
1 88 . 6 1 1 A 13 13 ILE N N 13 122.190 116.555 5.635 1
1 89 . 6 1 1 A 14 14 ILE H H 14 8.287 8.986 -0.699 1
1 90 . 6 1 1 A 14 14 ILE HA H 14 4.163 4.584 -0.421 1
1 100 . 6 1 1 A 14 14 ILE C C 14 176.116 175.664 0.452 1
1 101 . 6 1 1 A 14 14 ILE CA C 14 61.142 60.962 0.180 1
1 102 . 6 1 1 A 14 14 ILE CB C 14 38.438 36.850 1.588 1
1 106 . 6 1 1 A 14 14 ILE N N 14 125.550 128.669 -3.119 1
1 107 . 6 1 1 A 15 15 LEU H H 15 8.398 8.767 -0.369 1
1 108 . 6 1 1 A 15 15 LEU HA H 15 4.397 4.537 -0.140 1
1 118 . 6 1 1 A 15 15 LEU C C 15 177.749 177.071 0.678 1
1 119 . 6 1 1 A 15 15 LEU CA C 15 55.123 56.047 -0.924 1
1 120 . 6 1 1 A 15 15 LEU CB C 15 42.560 44.712 -2.152 1
1 124 . 6 1 1 A 15 15 LEU N N 15 127.408 129.321 -1.913 1
1 125 . 6 1 1 A 16 16 GLY H H 16 8.347 8.071 0.276 1
1 126 . 6 1 1 A 16 16 GLY HA2 H 16 3.964 3.922 0.042 1
1 127 . 6 1 1 A 16 16 GLY HA3 H 16 3.964 3.922 0.042 1
1 128 . 6 1 1 A 16 16 GLY C C 16 172.979 174.981 -2.002 1
1 129 . 6 1 1 A 16 16 GLY CA C 16 45.286 46.914 -1.628 1
1 130 . 6 1 1 A 16 16 GLY N N 16 109.546 107.126 2.420 1
1 131 . 6 1 1 A 17 17 ASN H H 17 7.974 8.171 -0.197 1
1 132 . 6 1 1 A 17 17 ASN HA H 17 4.577 4.623 -0.046 1
1 137 . 6 1 1 A 17 17 ASN C C 17 175.869 175.735 0.134 1
1 138 . 6 1 1 A 17 17 ASN CA C 17 54.665 54.283 0.382 1
1 139 . 6 1 1 A 17 17 ASN CB C 17 40.830 39.414 1.416 1
1 140 . 6 1 1 A 17 17 ASN N N 17 124.057 117.545 6.512 1
1 142 . 6 1 1 A 18 18 GLY H H 18 8.150 8.323 -0.173 1
1 143 . 6 1 1 A 18 18 GLY HA2 H 18 4.073 4.226 -0.153 1
1 144 . 6 1 1 A 18 18 GLY HA3 H 18 4.073 4.226 -0.153 1
1 145 . 6 1 1 A 18 18 GLY C C 18 172.372 172.589 -0.217 1
1 146 . 6 1 1 A 18 18 GLY CA C 18 44.898 44.341 0.557 1
1 147 . 6 1 1 A 18 18 GLY N N 18 113.988 108.475 5.513 1
1 148 . 6 1 1 A 19 19 PRO HA H 19 4.441 4.707 -0.266 1
1 155 . 6 1 1 A 19 19 PRO C C 19 177.039 175.973 1.066 1
1 156 . 6 1 1 A 19 19 PRO CA C 19 63.268 62.559 0.709 1
1 157 . 6 1 1 A 19 19 PRO CB C 19 32.159 30.048 2.111 1
1 160 . 6 1 1 A 20 20 ARG H H 20 8.414 8.424 -0.010 1
1 161 . 6 1 1 A 20 20 ARG HA H 20 4.339 4.899 -0.560 1
1 167 . 6 1 1 A 20 20 ARG C C 20 176.312 174.778 1.534 1
1 168 . 6 1 1 A 20 20 ARG CA C 20 56.111 54.633 1.478 1
1 169 . 6 1 1 A 20 20 ARG CB C 20 30.612 33.389 -2.777 1
1 172 . 6 1 1 A 20 20 ARG N N 20 120.839 123.783 -2.944 1
1 173 . 6 1 1 A 21 21 LEU H H 21 8.306 8.522 -0.216 1
1 174 . 6 1 1 A 21 21 LEU HA H 21 4.405 5.118 -0.713 1
1 183 . 6 1 1 A 21 21 LEU C C 21 177.403 175.853 1.550 1
1 184 . 6 1 1 A 21 21 LEU CA C 21 55.141 53.276 1.865 1
1 185 . 6 1 1 A 21 21 LEU CB C 21 42.190 44.039 -1.849 1
1 189 . 6 1 1 A 21 21 LEU N N 21 123.561 123.210 0.351 1
1 190 . 6 1 1 A 22 22 GLN H H 22 8.406 8.795 -0.389 1
1 191 . 6 1 1 A 22 22 GLN HA H 22 4.336 4.821 -0.485 1
1 198 . 6 1 1 A 22 22 GLN C C 22 175.699 175.548 0.151 1
1 199 . 6 1 1 A 22 22 GLN CA C 22 56.181 53.972 2.209 1
1 200 . 6 1 1 A 22 22 GLN CB C 22 29.492 32.779 -3.287 1
1 202 . 6 1 1 A 22 22 GLN N N 22 120.835 121.215 -0.380 1
1 204 . 6 1 1 A 24 24 SER HA H 24 4.451 4.343 0.108 1
1 207 . 6 1 1 A 24 24 SER C C 24 173.514 174.307 -0.793 1
1 208 . 6 1 1 A 24 24 SER CA C 24 58.579 59.199 -0.620 1
1 209 . 6 1 1 A 24 24 SER CB C 24 63.967 63.587 0.380 1
1 210 . 6 1 1 A 25 25 THR H H 25 7.806 8.775 -0.969 1
1 211 . 6 1 1 A 25 25 THR HA H 25 4.348 5.764 -1.416 1
1 216 . 6 1 1 A 25 25 THR C C 25 173.359 172.742 0.617 1
1 217 . 6 1 1 A 25 25 THR CA C 25 61.593 59.378 2.215 1
1 218 . 6 1 1 A 25 25 THR CB C 25 70.716 71.982 -1.266 1
1 220 . 6 1 1 A 25 25 THR N N 25 114.185 115.631 -1.446 1
1 221 . 6 1 1 A 26 26 TYR H H 26 8.598 9.274 -0.676 1
1 222 . 6 1 1 A 26 26 TYR HA H 26 4.670 5.170 -0.500 1
1 229 . 6 1 1 A 26 26 TYR C C 26 174.444 175.321 -0.877 1
1 230 . 6 1 1 A 26 26 TYR CA C 26 56.798 56.467 0.331 1
1 231 . 6 1 1 A 26 26 TYR CB C 26 39.717 40.537 -0.820 1
1 236 . 6 1 1 A 26 26 TYR N N 26 121.326 119.386 1.940 1
1 237 . 6 1 1 A 27 27 GLN H H 27 8.528 8.859 -0.331 1
1 238 . 6 1 1 A 27 27 GLN HA H 27 4.670 5.084 -0.414 1
1 245 . 6 1 1 A 27 27 GLN C C 27 175.055 175.248 -0.193 1
1 246 . 6 1 1 A 27 27 GLN CA C 27 54.718 55.423 -0.705 1
1 247 . 6 1 1 A 27 27 GLN CB C 27 30.938 29.128 1.810 1
1 249 . 6 1 1 A 27 27 GLN N N 27 123.045 123.091 -0.046 1
1 251 . 6 1 1 A 28 28 CYS H H 28 8.682 8.350 0.332 1
1 252 . 6 1 1 A 28 28 CYS HA H 28 4.331 4.577 -0.246 1
1 255 . 6 1 1 A 28 28 CYS C C 28 176.610 176.940 -0.330 1
1 256 . 6 1 1 A 28 28 CYS CA C 28 60.394 60.039 0.355 1
1 257 . 6 1 1 A 28 28 CYS CB C 28 29.850 28.699 1.151 1
1 258 . 6 1 1 A 28 28 CYS N N 28 129.276 125.664 3.612 1
1 259 . 6 1 1 A 29 29 LYS H H 29 8.454 8.660 -0.206 1
1 260 . 6 1 1 A 29 29 LYS HA H 29 4.257 4.229 0.028 1
1 269 . 6 1 1 A 29 29 LYS C C 29 176.581 176.050 0.531 1
1 270 . 6 1 1 A 29 29 LYS CA C 29 57.584 57.910 -0.326 1
1 271 . 6 1 1 A 29 29 LYS CB C 29 32.145 31.884 0.261 1
1 275 . 6 1 1 A 29 29 LYS N N 29 127.445 124.071 3.374 1
1 276 . 6 1 1 A 30 30 HIS H H 30 9.625 8.218 1.407 1
1 277 . 6 1 1 A 30 30 HIS HA H 30 4.608 4.506 0.102 1
1 281 . 6 1 1 A 30 30 HIS C C 30 175.524 176.578 -1.054 1
1 282 . 6 1 1 A 30 30 HIS CA C 30 56.956 57.507 -0.551 1
1 283 . 6 1 1 A 30 30 HIS CB C 30 30.732 31.182 -0.450 1
1 285 . 6 1 1 A 30 30 HIS N N 30 121.657 116.833 4.824 1
1 286 . 6 1 1 A 31 31 CYS H H 31 8.086 8.116 -0.030 1
1 287 . 6 1 1 A 31 31 CYS HA H 31 5.078 4.546 0.532 1
1 290 . 6 1 1 A 31 31 CYS C C 31 173.769 174.800 -1.031 1
1 291 . 6 1 1 A 31 31 CYS CA C 31 58.349 58.485 -0.136 1
1 292 . 6 1 1 A 31 31 CYS CB C 31 31.268 30.040 1.228 1
1 293 . 6 1 1 A 31 31 CYS N N 31 118.457 113.153 5.304 1
1 294 . 6 1 1 A 32 32 ASP H H 32 8.135 8.580 -0.445 1
1 295 . 6 1 1 A 32 32 ASP HA H 32 4.637 4.665 -0.028 1
1 298 . 6 1 1 A 32 32 ASP C C 32 176.540 175.671 0.869 1
1 299 . 6 1 1 A 32 32 ASP CA C 32 55.687 55.197 0.490 1
1 300 . 6 1 1 A 32 32 ASP CB C 32 40.418 39.313 1.105 1
1 301 . 6 1 1 A 32 32 ASP N N 32 116.820 120.982 -4.162 1
1 302 . 6 1 1 A 33 33 SER H H 33 8.667 7.899 0.768 1
1 303 . 6 1 1 A 33 33 SER HA H 33 4.267 4.692 -0.425 1
1 306 . 6 1 1 A 33 33 SER C C 33 172.462 173.269 -0.807 1
1 307 . 6 1 1 A 33 33 SER CA C 33 61.452 56.409 5.043 1
1 308 . 6 1 1 A 33 33 SER CB C 33 63.893 65.278 -1.385 1
1 309 . 6 1 1 A 33 33 SER N N 33 119.488 113.335 6.153 1
1 310 . 6 1 1 A 34 34 LYS H H 34 8.389 8.353 0.036 1
1 311 . 6 1 1 A 34 34 LYS HA H 34 4.747 5.361 -0.614 1
1 320 . 6 1 1 A 34 34 LYS C C 34 175.517 175.227 0.290 1
1 321 . 6 1 1 A 34 34 LYS CA C 34 55.476 54.730 0.746 1
1 322 . 6 1 1 A 34 34 LYS CB C 34 33.526 35.338 -1.812 1
1 326 . 6 1 1 A 34 34 LYS N N 34 122.954 121.233 1.721 1
1 327 . 6 1 1 A 35 35 LEU H H 35 8.825 8.571 0.254 1
1 328 . 6 1 1 A 35 35 LEU HA H 35 4.847 4.897 -0.050 1
1 338 . 6 1 1 A 35 35 LEU C C 35 177.476 177.110 0.366 1
1 339 . 6 1 1 A 35 35 LEU CA C 35 52.673 53.136 -0.463 1
1 340 . 6 1 1 A 35 35 LEU CB C 35 42.115 44.602 -2.487 1
1 344 . 6 1 1 A 35 35 LEU N N 35 126.489 125.643 0.846 1
1 345 . 6 1 1 A 36 36 GLN H H 36 8.883 8.815 0.068 1
1 346 . 6 1 1 A 36 36 GLN HA H 36 4.565 4.081 0.484 1
1 353 . 6 1 1 A 36 36 GLN C C 36 175.227 174.933 0.294 1
1 354 . 6 1 1 A 36 36 GLN CA C 36 56.763 58.466 -1.703 1
1 355 . 6 1 1 A 36 36 GLN CB C 36 30.225 29.359 0.866 1
1 357 . 6 1 1 A 36 36 GLN N N 36 116.410 123.420 -7.010 1
1 359 . 6 1 1 A 37 37 SER H H 37 7.345 7.512 -0.167 1
1 360 . 6 1 1 A 37 37 SER HA H 37 4.569 4.077 0.492 1
1 363 . 6 1 1 A 37 37 SER C C 37 179.414 173.133 6.281 1
1 364 . 6 1 1 A 37 37 SER CA C 37 56.780 55.779 1.001 1
1 365 . 6 1 1 A 37 37 SER CB C 37 66.444 65.067 1.377 1
1 366 . 6 1 1 A 37 37 SER N N 37 110.125 112.469 -2.344 1
1 367 . 6 1 1 A 38 38 THR H H 38 8.099 8.300 -0.201 1
1 368 . 6 1 1 A 38 38 THR HA H 38 3.627 3.550 0.077 1
1 373 . 6 1 1 A 38 38 THR CA C 38 65.831 66.247 -0.416 1
1 374 . 6 1 1 A 38 38 THR CB C 38 68.118 68.671 -0.553 1
1 376 . 6 1 1 A 38 38 THR N N 38 121.696 118.699 2.997 1
1 377 . 6 1 1 A 39 39 ALA HA H 39 4.155 4.000 0.155 1
1 381 . 6 1 1 A 39 39 ALA C C 39 180.623 179.335 1.288 1
1 382 . 6 1 1 A 39 39 ALA CA C 39 55.406 55.245 0.161 1
1 383 . 6 1 1 A 39 39 ALA CB C 39 18.098 18.612 -0.514 1
1 384 . 6 1 1 A 40 40 GLU H H 40 7.881 7.828 0.053 1
1 385 . 6 1 1 A 40 40 GLU HA H 40 4.114 4.161 -0.047 1
1 390 . 6 1 1 A 40 40 GLU C C 40 179.352 178.881 0.471 1
1 391 . 6 1 1 A 40 40 GLU CA C 40 58.914 59.121 -0.207 1
1 392 . 6 1 1 A 40 40 GLU CB C 40 30.822 29.884 0.938 1
1 394 . 6 1 1 A 40 40 GLU N N 40 118.475 117.769 0.706 1
1 395 . 6 1 1 A 41 41 LEU H H 41 8.096 7.904 0.192 1
1 396 . 6 1 1 A 41 41 LEU HA H 41 4.115 4.034 0.081 1
1 406 . 6 1 1 A 41 41 LEU C C 41 177.620 178.761 -1.141 1
1 407 . 6 1 1 A 41 41 LEU CA C 41 58.841 58.041 0.800 1
1 408 . 6 1 1 A 41 41 LEU CB C 41 41.442 41.503 -0.061 1
1 412 . 6 1 1 A 41 41 LEU N N 41 121.715 122.191 -0.476 1
1 413 . 6 1 1 A 42 42 THR H H 42 8.599 8.338 0.261 1
1 414 . 6 1 1 A 42 42 THR HA H 42 3.860 3.921 -0.061 1
1 419 . 6 1 1 A 42 42 THR C C 42 176.761 176.477 0.284 1
1 420 . 6 1 1 A 42 42 THR CA C 42 67.345 65.938 1.407 1
1 421 . 6 1 1 A 42 42 THR CB C 42 68.758 68.821 -0.063 1
1 423 . 6 1 1 A 42 42 THR N N 42 115.801 115.153 0.648 1
1 424 . 6 1 1 A 43 43 SER H H 43 7.833 7.589 0.244 1
1 425 . 6 1 1 A 43 43 SER HA H 43 4.251 4.448 -0.197 1
1 428 . 6 1 1 A 43 43 SER C C 43 176.836 176.355 0.481 1
1 429 . 6 1 1 A 43 43 SER CA C 43 61.646 61.125 0.521 1
1 430 . 6 1 1 A 43 43 SER CB C 43 62.750 63.224 -0.474 1
1 431 . 6 1 1 A 43 43 SER N N 43 115.657 116.652 -0.995 1
1 432 . 6 1 1 A 44 44 HIS H H 44 8.415 8.297 0.118 1
1 433 . 6 1 1 A 44 44 HIS HA H 44 4.182 4.144 0.038 1
1 438 . 6 1 1 A 44 44 HIS C C 44 177.125 177.098 0.027 1
1 439 . 6 1 1 A 44 44 HIS CA C 44 60.094 60.128 -0.034 1
1 440 . 6 1 1 A 44 44 HIS CB C 44 28.846 30.084 -1.238 1
1 443 . 6 1 1 A 44 44 HIS N N 44 122.271 122.006 0.265 1
1 444 . 6 1 1 A 45 45 LEU H H 45 8.854 9.008 -0.154 1
1 445 . 6 1 1 A 45 45 LEU HA H 45 4.100 3.772 0.328 1
1 455 . 6 1 1 A 45 45 LEU C C 45 179.448 178.940 0.508 1
1 456 . 6 1 1 A 45 45 LEU CA C 45 58.297 57.982 0.315 1
1 457 . 6 1 1 A 45 45 LEU CB C 45 41.666 41.142 0.524 1
1 461 . 6 1 1 A 45 45 LEU N N 45 118.289 119.342 -1.053 1
1 462 . 6 1 1 A 46 46 ASN H H 46 7.730 8.336 -0.606 1
1 463 . 6 1 1 A 46 46 ASN HA H 46 4.502 4.434 0.068 1
1 468 . 6 1 1 A 46 46 ASN C C 46 177.759 177.836 -0.077 1
1 469 . 6 1 1 A 46 46 ASN CA C 46 56.163 56.529 -0.366 1
1 470 . 6 1 1 A 46 46 ASN CB C 46 38.069 38.088 -0.019 1
1 471 . 6 1 1 A 46 46 ASN N N 46 117.155 117.428 -0.273 1
1 473 . 6 1 1 A 47 47 ILE H H 47 7.670 7.779 -0.109 1
1 474 . 6 1 1 A 47 47 ILE HA H 47 3.787 3.637 0.150 1
1 484 . 6 1 1 A 47 47 ILE C C 47 178.447 178.256 0.191 1
1 485 . 6 1 1 A 47 47 ILE CA C 47 64.273 65.037 -0.764 1
1 486 . 6 1 1 A 47 47 ILE CB C 47 37.214 37.208 0.006 1
1 490 . 6 1 1 A 47 47 ILE N N 47 119.392 119.479 -0.087 1
1 491 . 6 1 1 A 48 48 HIS H H 48 6.999 7.844 -0.845 1
1 492 . 6 1 1 A 48 48 HIS HA H 48 4.437 4.396 0.041 1
1 497 . 6 1 1 A 48 48 HIS C C 48 175.932 177.924 -1.992 1
1 498 . 6 1 1 A 48 48 HIS CA C 48 56.855 59.282 -2.427 1
1 499 . 6 1 1 A 48 48 HIS CB C 48 27.971 30.114 -2.143 1
1 502 . 6 1 1 A 48 48 HIS N N 48 116.931 119.258 -2.327 1
1 503 . 6 1 1 A 49 49 ASN H H 49 8.059 8.162 -0.103 1
1 504 . 6 1 1 A 49 49 ASN HA H 49 4.555 4.325 0.230 1
1 509 . 6 1 1 A 49 49 ASN C C 49 177.139 177.586 -0.447 1
1 510 . 6 1 1 A 49 49 ASN CA C 49 55.552 56.491 -0.939 1
1 511 . 6 1 1 A 49 49 ASN CB C 49 38.495 37.873 0.622 1
1 512 . 6 1 1 A 49 49 ASN N N 49 118.208 117.451 0.757 1
1 514 . 6 1 1 A 50 50 GLU H H 50 8.336 8.505 -0.169 1
1 515 . 6 1 1 A 50 50 GLU HA H 50 4.090 4.113 -0.023 1
1 520 . 6 1 1 A 50 50 GLU C C 50 178.637 178.801 -0.164 1
1 521 . 6 1 1 A 50 50 GLU CA C 50 59.246 59.531 -0.285 1
1 522 . 6 1 1 A 50 50 GLU CB C 50 29.582 29.321 0.261 1
1 524 . 6 1 1 A 50 50 GLU N N 50 121.316 117.595 3.721 1
1 525 . 6 1 1 A 51 51 GLU H H 51 7.932 7.866 0.066 1
1 526 . 6 1 1 A 51 51 GLU HA H 51 4.093 4.040 0.053 1
1 531 . 6 1 1 A 51 51 GLU C C 51 179.088 179.016 0.072 1
1 532 . 6 1 1 A 51 51 GLU CA C 51 59.037 59.186 -0.149 1
1 533 . 6 1 1 A 51 51 GLU CB C 51 29.183 29.412 -0.229 1
1 535 . 6 1 1 A 51 51 GLU N N 51 120.058 120.014 0.044 1
1 536 . 6 1 1 A 52 52 PHE H H 52 8.345 8.487 -0.142 1
1 537 . 6 1 1 A 52 52 PHE HA H 52 4.411 4.116 0.295 1
1 545 . 6 1 1 A 52 52 PHE C C 52 178.654 177.352 1.302 1
1 546 . 6 1 1 A 52 52 PHE CA C 52 59.523 62.010 -2.487 1
1 547 . 6 1 1 A 52 52 PHE CB C 52 38.261 39.164 -0.903 1
1 553 . 6 1 1 A 52 52 PHE N N 52 119.698 121.241 -1.543 1
1 554 . 6 1 1 A 53 53 GLN H H 53 8.197 7.995 0.202 1
1 555 . 6 1 1 A 53 53 GLN HA H 53 4.153 3.890 0.263 1
1 562 . 6 1 1 A 53 53 GLN C C 53 178.059 178.197 -0.138 1
1 563 . 6 1 1 A 53 53 GLN CA C 53 58.120 59.561 -1.441 1
1 564 . 6 1 1 A 53 53 GLN CB C 53 28.591 28.735 -0.144 1
1 566 . 6 1 1 A 53 53 GLN N N 53 118.967 118.411 0.556 1
1 568 . 6 1 1 A 54 54 LYS H H 54 8.008 7.659 0.349 1
1 569 . 6 1 1 A 54 54 LYS HA H 54 4.118 3.925 0.193 1
1 577 . 6 1 1 A 54 54 LYS C C 54 178.686 178.547 0.139 1
1 578 . 6 1 1 A 54 54 LYS CA C 54 59.002 59.542 -0.540 1
1 579 . 6 1 1 A 54 54 LYS CB C 54 32.608 32.402 0.206 1
1 583 . 6 1 1 A 54 54 LYS N N 54 119.791 120.681 -0.890 1
1 584 . 6 1 1 A 55 55 ARG H H 55 7.978 8.220 -0.242 1
1 585 . 6 1 1 A 55 55 ARG HA H 55 4.136 3.982 0.154 1
1 592 . 6 1 1 A 55 55 ARG C C 55 177.610 176.230 1.380 1
1 593 . 6 1 1 A 55 55 ARG CA C 55 58.183 59.550 -1.367 1
1 594 . 6 1 1 A 55 55 ARG CB C 55 30.410 30.103 0.307 1
1 597 . 6 1 1 A 55 55 ARG N N 55 119.619 118.291 1.328 1
1 598 . 6 1 1 A 56 56 ALA H H 56 8.008 7.765 0.243 1
1 599 . 6 1 1 A 56 56 ALA HA H 56 4.196 3.972 0.224 1
1 603 . 6 1 1 A 56 56 ALA C C 56 179.269 177.110 2.159 1
1 604 . 6 1 1 A 56 56 ALA CA C 56 53.930 52.964 0.966 1
1 605 . 6 1 1 A 56 56 ALA CB C 56 18.539 17.307 1.232 1
1 606 . 6 1 1 A 56 56 ALA N N 56 122.850 119.521 3.329 1
1 607 . 6 1 1 A 57 57 LYS H H 57 8.014 7.691 0.323 1
1 608 . 6 1 1 A 57 57 LYS HA H 57 4.225 4.472 -0.247 1
1 617 . 6 1 1 A 57 57 LYS C C 57 177.892 176.614 1.278 1
1 618 . 6 1 1 A 57 57 LYS CA C 57 57.504 57.711 -0.207 1
1 619 . 6 1 1 A 57 57 LYS CB C 57 32.646 33.771 -1.125 1
1 623 . 6 1 1 A 57 57 LYS N N 57 118.986 116.853 2.133 1
1 624 . 6 1 1 A 58 58 ARG H H 58 8.039 7.464 0.575 1
1 625 . 6 1 1 A 58 58 ARG HA H 58 4.229 4.018 0.211 1
1 632 . 6 1 1 A 58 58 ARG C C 58 177.156 177.194 -0.038 1
1 633 . 6 1 1 A 58 58 ARG CA C 58 57.425 56.710 0.715 1
1 634 . 6 1 1 A 58 58 ARG CB C 58 30.561 30.736 -0.175 1
1 637 . 6 1 1 A 58 58 ARG N N 58 120.747 120.324 0.423 1
1 638 . 6 1 1 A 59 59 GLN H H 59 8.195 8.564 -0.369 1
1 639 . 6 1 1 A 59 59 GLN HA H 59 4.228 4.380 -0.152 1
1 644 . 6 1 1 A 59 59 GLN CA C 59 57.412 55.172 2.240 1
1 645 . 6 1 1 A 59 59 GLN CB C 59 32.773 27.540 5.233 1
1 647 . 6 1 1 A 59 59 GLN N N 59 121.145 124.475 -3.330 1
1 648 . 6 1 1 A 60 60 GLU HA H 60 4.256 3.928 0.328 1
1 653 . 6 1 1 A 60 60 GLU CA C 60 56.093 57.470 -1.377 1
1 654 . 6 1 1 A 60 60 GLU CB C 60 29.429 27.871 1.558 1
1 656 . 6 1 1 A 63 63 LYS HA H 63 4.263 4.102 0.161 1
1 663 . 6 1 1 A 63 63 LYS CA C 63 56.908 58.750 -1.842 1
1 664 . 6 1 1 A 63 63 LYS CB C 63 32.778 32.937 -0.159 1
1 665 . 6 1 1 A 64 64 GLN H H 64 8.261 7.616 0.645 1
1 666 . 6 1 1 A 64 64 GLN HA H 64 4.253 4.436 -0.183 1
1 673 . 6 1 1 A 64 64 GLN C C 64 176.687 175.421 1.266 1
1 674 . 6 1 1 A 64 64 GLN CA C 64 56.780 55.628 1.152 1
1 675 . 6 1 1 A 64 64 GLN CB C 64 29.198 29.796 -0.598 1
1 677 . 6 1 1 A 64 64 GLN N N 64 120.299 119.373 0.926 1
1 679 . 6 1 1 A 65 65 LEU H H 65 8.190 8.798 -0.608 1
1 680 . 6 1 1 A 65 65 LEU HA H 65 4.306 5.142 -0.836 1
1 690 . 6 1 1 A 65 65 LEU C C 65 177.894 175.433 2.461 1
1 691 . 6 1 1 A 65 65 LEU CA C 65 55.952 52.660 3.292 1
1 692 . 6 1 1 A 65 65 LEU CB C 65 42.313 44.123 -1.810 1
1 696 . 6 1 1 A 65 65 LEU N N 65 122.723 121.998 0.725 1
1 697 . 6 1 1 A 66 66 LEU H H 66 8.165 8.652 -0.487 1
1 698 . 6 1 1 A 66 66 LEU HA H 66 4.305 5.186 -0.881 1
1 708 . 6 1 1 A 66 66 LEU C C 66 177.867 174.866 3.001 1
1 709 . 6 1 1 A 66 66 LEU CA C 66 55.775 53.788 1.987 1
1 710 . 6 1 1 A 66 66 LEU CB C 66 42.336 45.077 -2.741 1
1 714 . 6 1 1 A 66 66 LEU N N 66 121.812 122.021 -0.209 1
1 715 . 6 1 1 A 67 67 SER H H 67 8.104 8.988 -0.884 1
1 716 . 6 1 1 A 67 67 SER CA C 67 58.896 56.606 2.290 1
1 717 . 6 1 1 A 67 67 SER CB C 67 63.674 65.234 -1.560 1
1 718 . 6 1 1 A 67 67 SER N N 67 115.632 120.662 -5.030 1
1 719 . 6 1 1 A 69 69 GLN HA H 69 4.221 5.155 -0.934 1
1 724 . 6 1 1 A 69 69 GLN CA C 69 57.547 54.894 2.653 1
1 725 . 6 1 1 A 69 69 GLN CB C 69 30.314 32.524 -2.210 1
1 727 . 6 1 1 A 70 70 LYS H H 70 8.255 8.767 -0.512 1
1 728 . 6 1 1 A 70 70 LYS HA H 70 4.220 4.900 -0.680 1
1 737 . 6 1 1 A 70 70 LYS C C 70 176.303 174.029 2.274 1
1 738 . 6 1 1 A 70 70 LYS CA C 70 56.639 56.156 0.483 1
1 739 . 6 1 1 A 70 70 LYS CB C 70 33.080 36.218 -3.138 1
1 743 . 6 1 1 A 70 70 LYS N N 70 121.417 121.772 -0.355 1
1 744 . 6 1 1 A 71 71 TYR H H 71 8.142 8.884 -0.742 1
1 745 . 6 1 1 A 71 71 TYR HA H 71 4.571 5.339 -0.768 1
1 752 . 6 1 1 A 71 71 TYR C C 71 175.736 173.782 1.954 1
1 753 . 6 1 1 A 71 71 TYR CA C 71 57.768 56.879 0.889 1
1 754 . 6 1 1 A 71 71 TYR CB C 71 38.894 41.503 -2.609 1
1 759 . 6 1 1 A 71 71 TYR N N 71 120.561 120.499 0.062 1
1 760 . 6 1 1 A 72 72 ALA H H 72 8.237 8.627 -0.390 1
1 761 . 6 1 1 A 72 72 ALA HA H 72 4.292 4.869 -0.577 1
1 765 . 6 1 1 A 72 72 ALA C C 72 177.276 175.137 2.139 1
1 766 . 6 1 1 A 72 72 ALA CA C 72 52.642 51.345 1.297 1
1 767 . 6 1 1 A 72 72 ALA CB C 72 19.405 23.184 -3.779 1
1 768 . 6 1 1 A 72 72 ALA N N 72 125.192 121.914 3.278 1
1 769 . 6 1 1 A 73 73 ASP H H 73 8.220 8.791 -0.571 1
1 770 . 6 1 1 A 73 73 ASP HA H 73 4.549 5.174 -0.625 1
1 773 . 6 1 1 A 73 73 ASP C C 73 176.922 174.692 2.230 1
1 774 . 6 1 1 A 73 73 ASP CA C 73 54.682 53.561 1.121 1
1 775 . 6 1 1 A 73 73 ASP CB C 73 41.239 44.083 -2.844 1
1 776 . 6 1 1 A 73 73 ASP N N 73 119.269 118.454 0.815 1
1 777 . 6 1 1 A 74 74 GLY H H 74 8.269 8.490 -0.221 1
1 778 . 6 1 1 A 74 74 GLY HA2 H 74 3.963 4.096 -0.133 1
1 779 . 6 1 1 A 74 74 GLY HA3 H 74 3.879 4.115 -0.236 1
1 780 . 6 1 1 A 74 74 GLY C C 74 174.132 174.132 0.000 1
1 781 . 6 1 1 A 74 74 GLY CA C 74 45.551 45.721 -0.170 1
1 782 . 6 1 1 A 74 74 GLY N N 74 109.209 109.873 -0.664 1
1 783 . 6 1 1 A 75 75 ALA H H 75 8.048 8.646 -0.598 1
1 784 . 6 1 1 A 75 75 ALA HA H 75 4.221 4.321 -0.100 1
1 788 . 6 1 1 A 75 75 ALA C C 75 177.507 176.235 1.272 1
1 789 . 6 1 1 A 75 75 ALA CA C 75 52.638 53.534 -0.896 1
1 790 . 6 1 1 A 75 75 ALA CB C 75 19.281 20.548 -1.267 1
1 791 . 6 1 1 A 75 75 ALA N N 75 123.382 125.666 -2.284 1
1 792 . 6 1 1 A 76 76 PHE H H 76 8.126 7.757 0.369 1
1 793 . 6 1 1 A 76 76 PHE HA H 76 4.541 5.093 -0.552 1
1 798 . 6 1 1 A 76 76 PHE C C 76 175.620 174.826 0.794 1
1 799 . 6 1 1 A 76 76 PHE CA C 76 57.733 56.418 1.315 1
1 800 . 6 1 1 A 76 76 PHE CB C 76 39.429 43.477 -4.048 1
1 801 . 6 1 1 A 76 76 PHE N N 76 118.540 112.949 5.591 1
1 802 . 6 1 1 A 77 77 ALA H H 77 8.017 8.903 -0.886 1
1 803 . 6 1 1 A 77 77 ALA HA H 77 4.207 4.578 -0.371 1
1 807 . 6 1 1 A 77 77 ALA C C 77 176.990 177.049 -0.059 1
1 808 . 6 1 1 A 77 77 ALA CA C 77 52.602 53.757 -1.155 1
1 809 . 6 1 1 A 77 77 ALA CB C 77 19.528 21.558 -2.030 1
1 810 . 6 1 1 A 77 77 ALA N N 77 124.826 123.525 1.301 1
1 811 . 6 1 1 A 78 78 ASP H H 78 8.061 7.826 0.235 1
1 812 . 6 1 1 A 78 78 ASP HA H 78 4.538 5.018 -0.480 1
1 815 . 6 1 1 A 78 78 ASP C C 78 175.908 174.190 1.718 1
1 816 . 6 1 1 A 78 78 ASP CA C 78 54.189 53.788 0.401 1
1 817 . 6 1 1 A 78 78 ASP CB C 78 41.242 44.347 -3.105 1
1 818 . 6 1 1 A 78 78 ASP N N 78 119.019 114.504 4.515 1
1 819 . 6 1 1 A 79 79 PHE H H 79 8.023 8.499 -0.476 1
1 820 . 6 1 1 A 79 79 PHE HA H 79 4.586 5.104 -0.518 1
1 825 . 6 1 1 A 79 79 PHE C C 79 175.551 171.957 3.594 1
1 826 . 6 1 1 A 79 79 PHE CA C 79 57.891 56.810 1.081 1
1 827 . 6 1 1 A 79 79 PHE CB C 79 39.484 41.562 -2.078 1
1 828 . 6 1 1 A 79 79 PHE N N 79 120.449 116.981 3.468 1
1 829 . 6 1 1 A 80 80 LYS H H 80 8.161 8.925 -0.764 1
1 830 . 6 1 1 A 80 80 LYS HA H 80 4.251 5.223 -0.972 1
1 836 . 6 1 1 A 80 80 LYS C C 80 176.027 174.915 1.112 1
1 837 . 6 1 1 A 80 80 LYS CA C 80 56.233 54.479 1.754 1
1 838 . 6 1 1 A 80 80 LYS CB C 80 33.084 36.105 -3.021 1
1 842 . 6 1 1 A 80 80 LYS N N 80 123.309 120.508 2.801 1
1 843 . 6 1 1 A 81 81 GLN H H 81 8.329 8.677 -0.348 1
1 844 . 6 1 1 A 81 81 GLN HA H 81 4.284 4.918 -0.634 1
1 851 . 6 1 1 A 81 81 GLN C C 81 176.009 174.607 1.402 1
1 852 . 6 1 1 A 81 81 GLN CA C 81 55.952 53.699 2.253 1
1 853 . 6 1 1 A 81 81 GLN CB C 81 29.623 33.015 -3.392 1
1 855 . 6 1 1 A 81 81 GLN N N 81 121.944 124.296 -2.352 1
1 857 . 6 1 1 A 82 82 GLU H H 82 8.542 8.505 0.037 1
1 858 . 6 1 1 A 82 82 GLU HA H 82 4.350 4.815 -0.465 1
1 862 . 6 1 1 A 82 82 GLU C C 82 176.509 176.588 -0.079 1
1 863 . 6 1 1 A 82 82 GLU CA C 82 56.675 55.336 1.339 1
1 864 . 6 1 1 A 82 82 GLU CB C 82 30.447 31.805 -1.358 1
1 866 . 6 1 1 A 82 82 GLU N N 82 122.687 121.096 1.591 1
1 867 . 6 1 1 A 83 83 SER H H 83 8.418 8.597 -0.179 1
1 868 . 6 1 1 A 83 83 SER HA H 83 4.516 5.379 -0.863 1
1 871 . 6 1 1 A 83 83 SER C C 83 174.538 174.418 0.120 1
1 872 . 6 1 1 A 83 83 SER CA C 83 58.403 56.212 2.191 1
1 873 . 6 1 1 A 83 83 SER CB C 83 64.018 65.950 -1.932 1
1 874 . 6 1 1 A 83 83 SER N N 83 116.897 114.046 2.851 1
1 875 . 6 1 1 A 84 84 GLY H H 84 8.276 8.429 -0.153 1
1 876 . 6 1 1 A 84 84 GLY C C 84 171.814 171.621 0.193 1
1 877 . 6 1 1 A 84 84 GLY CA C 84 44.722 44.803 -0.081 1
1 878 . 6 1 1 A 84 84 GLY N N 84 110.673 107.735 2.938 1
1 879 . 6 1 1 A 85 85 PRO HA H 85 4.497 4.658 -0.161 1
1 885 . 6 1 1 A 85 85 PRO C C 85 177.204 176.074 1.130 1
1 886 . 6 1 1 A 85 85 PRO CA C 85 63.290 62.782 0.508 1
1 887 . 6 1 1 A 85 85 PRO CB C 85 32.228 31.605 0.623 1
1 890 . 6 1 1 A 86 86 SER H H 86 8.331 8.839 -0.508 1
1 891 . 6 1 1 A 86 86 SER HA H 86 4.339 4.866 -0.527 1
1 892 . 6 1 1 A 86 86 SER C C 86 174.935 172.872 2.063 1
1 893 . 6 1 1 A 86 86 SER CA C 86 61.769 57.692 4.077 1
1 894 . 6 1 1 A 86 86 SER CB C 86 69.836 64.031 5.805 1
1 895 . 6 1 1 A 86 86 SER N N 86 114.681 121.133 -6.452 1
1 896 . 6 1 1 A 87 87 SER H H 87 8.121 8.764 -0.643 1
1 897 . 6 1 1 A 87 87 SER CA C 87 61.963 56.955 5.008 1
1 898 . 6 1 1 A 87 87 SER CB C 87 69.818 65.320 4.498 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.975 4.191 -0.216 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.975 4.192 -0.217 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.115 172.642 1.473 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.392 45.546 -0.154 1
1 5 . 7 1 1 A 8 8 LEU H H 8 8.037 8.718 -0.681 1
1 6 . 7 1 1 A 8 8 LEU HA H 8 4.347 4.955 -0.608 1
1 16 . 7 1 1 A 8 8 LEU C C 8 177.426 176.153 1.273 1
1 17 . 7 1 1 A 8 8 LEU CA C 8 55.352 53.806 1.546 1
1 18 . 7 1 1 A 8 8 LEU CB C 8 42.478 44.454 -1.976 1
1 22 . 7 1 1 A 8 8 LEU N N 8 121.686 125.818 -4.132 1
1 23 . 7 1 1 A 9 9 LYS H H 9 8.309 8.485 -0.176 1
1 24 . 7 1 1 A 9 9 LYS HA H 9 4.319 4.372 -0.053 1
1 29 . 7 1 1 A 9 9 LYS CA C 9 56.195 56.111 0.084 1
1 30 . 7 1 1 A 9 9 LYS CB C 9 32.820 31.375 1.445 1
1 34 . 7 1 1 A 9 9 LYS N N 9 122.335 121.337 0.998 1
1 35 . 7 1 1 A 10 10 ARG HA H 10 4.306 4.960 -0.654 1
1 42 . 7 1 1 A 10 10 ARG C C 10 175.845 174.566 1.279 1
1 43 . 7 1 1 A 10 10 ARG CA C 10 56.146 54.692 1.454 1
1 44 . 7 1 1 A 10 10 ARG CB C 10 31.005 31.925 -0.920 1
1 47 . 7 1 1 A 11 11 ASP H H 11 8.293 8.696 -0.403 1
1 48 . 7 1 1 A 11 11 ASP HA H 11 4.582 5.289 -0.707 1
1 51 . 7 1 1 A 11 11 ASP C C 11 175.382 174.297 1.085 1
1 52 . 7 1 1 A 11 11 ASP CA C 11 54.612 53.253 1.359 1
1 53 . 7 1 1 A 11 11 ASP CB C 11 41.572 45.516 -3.944 1
1 54 . 7 1 1 A 11 11 ASP N N 11 120.563 125.580 -5.017 1
1 55 . 7 1 1 A 12 12 PHE H H 12 7.961 8.735 -0.774 1
1 56 . 7 1 1 A 12 12 PHE HA H 12 4.758 5.359 -0.601 1
1 63 . 7 1 1 A 12 12 PHE C C 12 175.068 172.940 2.128 1
1 64 . 7 1 1 A 12 12 PHE CA C 12 58.990 56.178 2.812 1
1 65 . 7 1 1 A 12 12 PHE CB C 12 40.037 42.512 -2.475 1
1 70 . 7 1 1 A 12 12 PHE N N 12 118.808 116.350 2.458 1
1 71 . 7 1 1 A 13 13 ILE H H 13 8.167 9.019 -0.852 1
1 72 . 7 1 1 A 13 13 ILE HA H 13 4.167 4.883 -0.716 1
1 82 . 7 1 1 A 13 13 ILE C C 13 175.712 174.612 1.100 1
1 83 . 7 1 1 A 13 13 ILE CA C 13 60.976 59.702 1.274 1
1 84 . 7 1 1 A 13 13 ILE CB C 13 39.277 40.372 -1.095 1
1 88 . 7 1 1 A 13 13 ILE N N 13 122.190 117.681 4.509 1
1 89 . 7 1 1 A 14 14 ILE H H 14 8.287 9.158 -0.871 1
1 90 . 7 1 1 A 14 14 ILE HA H 14 4.163 4.724 -0.561 1
1 100 . 7 1 1 A 14 14 ILE C C 14 176.116 174.786 1.330 1
1 101 . 7 1 1 A 14 14 ILE CA C 14 61.142 60.978 0.164 1
1 102 . 7 1 1 A 14 14 ILE CB C 14 38.438 39.589 -1.151 1
1 106 . 7 1 1 A 14 14 ILE N N 14 125.550 128.059 -2.509 1
1 107 . 7 1 1 A 15 15 LEU H H 15 8.398 9.233 -0.835 1
1 108 . 7 1 1 A 15 15 LEU HA H 15 4.397 4.755 -0.358 1
1 118 . 7 1 1 A 15 15 LEU C C 15 177.749 175.644 2.105 1
1 119 . 7 1 1 A 15 15 LEU CA C 15 55.123 54.075 1.048 1
1 120 . 7 1 1 A 15 15 LEU CB C 15 42.560 40.828 1.732 1
1 124 . 7 1 1 A 15 15 LEU N N 15 127.408 128.904 -1.496 1
1 125 . 7 1 1 A 16 16 GLY H H 16 8.347 9.061 -0.714 1
1 126 . 7 1 1 A 16 16 GLY HA2 H 16 3.964 4.075 -0.111 1
1 127 . 7 1 1 A 16 16 GLY HA3 H 16 3.964 4.076 -0.112 1
1 128 . 7 1 1 A 16 16 GLY C C 16 172.979 172.950 0.029 1
1 129 . 7 1 1 A 16 16 GLY CA C 16 45.286 46.633 -1.347 1
1 130 . 7 1 1 A 16 16 GLY N N 16 109.546 112.241 -2.695 1
1 131 . 7 1 1 A 17 17 ASN H H 17 7.974 8.409 -0.435 1
1 132 . 7 1 1 A 17 17 ASN HA H 17 4.577 5.325 -0.748 1
1 137 . 7 1 1 A 17 17 ASN C C 17 175.869 174.183 1.686 1
1 138 . 7 1 1 A 17 17 ASN CA C 17 54.665 52.849 1.816 1
1 139 . 7 1 1 A 17 17 ASN CB C 17 40.830 41.338 -0.508 1
1 140 . 7 1 1 A 17 17 ASN N N 17 124.057 121.007 3.050 1
1 142 . 7 1 1 A 18 18 GLY H H 18 8.150 8.323 -0.173 1
1 143 . 7 1 1 A 18 18 GLY HA2 H 18 4.073 4.229 -0.156 1
1 144 . 7 1 1 A 18 18 GLY HA3 H 18 4.073 4.229 -0.156 1
1 145 . 7 1 1 A 18 18 GLY C C 18 172.372 172.392 -0.020 1
1 146 . 7 1 1 A 18 18 GLY CA C 18 44.898 44.858 0.040 1
1 147 . 7 1 1 A 18 18 GLY N N 18 113.988 110.075 3.913 1
1 148 . 7 1 1 A 19 19 PRO HA H 19 4.441 4.761 -0.320 1
1 155 . 7 1 1 A 19 19 PRO C C 19 177.039 176.614 0.425 1
1 156 . 7 1 1 A 19 19 PRO CA C 19 63.268 62.727 0.541 1
1 157 . 7 1 1 A 19 19 PRO CB C 19 32.159 32.018 0.141 1
1 160 . 7 1 1 A 20 20 ARG H H 20 8.414 8.685 -0.271 1
1 161 . 7 1 1 A 20 20 ARG HA H 20 4.339 4.471 -0.132 1
1 167 . 7 1 1 A 20 20 ARG C C 20 176.312 176.320 -0.008 1
1 168 . 7 1 1 A 20 20 ARG CA C 20 56.111 57.088 -0.977 1
1 169 . 7 1 1 A 20 20 ARG CB C 20 30.612 32.870 -2.258 1
1 172 . 7 1 1 A 20 20 ARG N N 20 120.839 122.112 -1.273 1
1 173 . 7 1 1 A 21 21 LEU H H 21 8.306 7.749 0.557 1
1 174 . 7 1 1 A 21 21 LEU HA H 21 4.405 4.147 0.258 1
1 183 . 7 1 1 A 21 21 LEU C C 21 177.403 176.197 1.206 1
1 184 . 7 1 1 A 21 21 LEU CA C 21 55.141 55.660 -0.519 1
1 185 . 7 1 1 A 21 21 LEU CB C 21 42.190 42.107 0.083 1
1 189 . 7 1 1 A 21 21 LEU N N 21 123.561 120.766 2.795 1
1 190 . 7 1 1 A 22 22 GLN H H 22 8.406 8.769 -0.363 1
1 191 . 7 1 1 A 22 22 GLN HA H 22 4.336 4.786 -0.450 1
1 198 . 7 1 1 A 22 22 GLN C C 22 175.699 174.818 0.881 1
1 199 . 7 1 1 A 22 22 GLN CA C 22 56.181 54.713 1.468 1
1 200 . 7 1 1 A 22 22 GLN CB C 22 29.492 29.336 0.156 1
1 202 . 7 1 1 A 22 22 GLN N N 22 120.835 124.132 -3.297 1
1 204 . 7 1 1 A 24 24 SER HA H 24 4.451 4.981 -0.530 1
1 207 . 7 1 1 A 24 24 SER C C 24 173.514 173.178 0.336 1
1 208 . 7 1 1 A 24 24 SER CA C 24 58.579 56.804 1.775 1
1 209 . 7 1 1 A 24 24 SER CB C 24 63.967 64.233 -0.266 1
1 210 . 7 1 1 A 25 25 THR H H 25 7.806 9.149 -1.343 1
1 211 . 7 1 1 A 25 25 THR HA H 25 4.348 5.234 -0.886 1
1 216 . 7 1 1 A 25 25 THR C C 25 173.359 173.691 -0.332 1
1 217 . 7 1 1 A 25 25 THR CA C 25 61.593 61.618 -0.025 1
1 218 . 7 1 1 A 25 25 THR CB C 25 70.716 70.820 -0.104 1
1 220 . 7 1 1 A 25 25 THR N N 25 114.185 121.897 -7.712 1
1 221 . 7 1 1 A 26 26 TYR H H 26 8.598 9.547 -0.949 1
1 222 . 7 1 1 A 26 26 TYR HA H 26 4.670 5.098 -0.428 1
1 229 . 7 1 1 A 26 26 TYR C C 26 174.444 174.821 -0.377 1
1 230 . 7 1 1 A 26 26 TYR CA C 26 56.798 56.831 -0.033 1
1 231 . 7 1 1 A 26 26 TYR CB C 26 39.717 39.521 0.196 1
1 236 . 7 1 1 A 26 26 TYR N N 26 121.326 125.212 -3.886 1
1 237 . 7 1 1 A 27 27 GLN H H 27 8.528 8.577 -0.049 1
1 238 . 7 1 1 A 27 27 GLN HA H 27 4.670 4.765 -0.095 1
1 245 . 7 1 1 A 27 27 GLN C C 27 175.055 175.270 -0.215 1
1 246 . 7 1 1 A 27 27 GLN CA C 27 54.718 54.713 0.005 1
1 247 . 7 1 1 A 27 27 GLN CB C 27 30.938 28.708 2.230 1
1 249 . 7 1 1 A 27 27 GLN N N 27 123.045 124.586 -1.541 1
1 251 . 7 1 1 A 28 28 CYS H H 28 8.682 8.491 0.191 1
1 252 . 7 1 1 A 28 28 CYS HA H 28 4.331 4.471 -0.140 1
1 255 . 7 1 1 A 28 28 CYS C C 28 176.610 176.935 -0.325 1
1 256 . 7 1 1 A 28 28 CYS CA C 28 60.394 60.215 0.179 1
1 257 . 7 1 1 A 28 28 CYS CB C 28 29.850 29.156 0.694 1
1 258 . 7 1 1 A 28 28 CYS N N 28 129.276 126.265 3.011 1
1 259 . 7 1 1 A 29 29 LYS H H 29 8.454 8.677 -0.223 1
1 260 . 7 1 1 A 29 29 LYS HA H 29 4.257 4.310 -0.053 1
1 269 . 7 1 1 A 29 29 LYS C C 29 176.581 175.892 0.689 1
1 270 . 7 1 1 A 29 29 LYS CA C 29 57.584 57.783 -0.199 1
1 271 . 7 1 1 A 29 29 LYS CB C 29 32.145 31.874 0.271 1
1 275 . 7 1 1 A 29 29 LYS N N 29 127.445 124.087 3.358 1
1 276 . 7 1 1 A 30 30 HIS H H 30 9.625 8.144 1.481 1
1 277 . 7 1 1 A 30 30 HIS HA H 30 4.608 4.549 0.059 1
1 281 . 7 1 1 A 30 30 HIS C C 30 175.524 176.570 -1.046 1
1 282 . 7 1 1 A 30 30 HIS CA C 30 56.956 57.248 -0.292 1
1 283 . 7 1 1 A 30 30 HIS CB C 30 30.732 31.420 -0.688 1
1 285 . 7 1 1 A 30 30 HIS N N 30 121.657 116.679 4.978 1
1 286 . 7 1 1 A 31 31 CYS H H 31 8.086 8.135 -0.049 1
1 287 . 7 1 1 A 31 31 CYS HA H 31 5.078 4.554 0.524 1
1 290 . 7 1 1 A 31 31 CYS C C 31 173.769 174.238 -0.469 1
1 291 . 7 1 1 A 31 31 CYS CA C 31 58.349 58.154 0.195 1
1 292 . 7 1 1 A 31 31 CYS CB C 31 31.268 28.949 2.319 1
1 293 . 7 1 1 A 31 31 CYS N N 31 118.457 113.167 5.290 1
1 294 . 7 1 1 A 32 32 ASP H H 32 8.135 8.120 0.015 1
1 295 . 7 1 1 A 32 32 ASP HA H 32 4.637 4.517 0.120 1
1 298 . 7 1 1 A 32 32 ASP C C 32 176.540 175.208 1.332 1
1 299 . 7 1 1 A 32 32 ASP CA C 32 55.687 55.568 0.119 1
1 300 . 7 1 1 A 32 32 ASP CB C 32 40.418 39.250 1.168 1
1 301 . 7 1 1 A 32 32 ASP N N 32 116.820 117.670 -0.850 1
1 302 . 7 1 1 A 33 33 SER H H 33 8.667 7.905 0.762 1
1 303 . 7 1 1 A 33 33 SER HA H 33 4.267 4.673 -0.406 1
1 306 . 7 1 1 A 33 33 SER C C 33 172.462 172.912 -0.450 1
1 307 . 7 1 1 A 33 33 SER CA C 33 61.452 58.459 2.993 1
1 308 . 7 1 1 A 33 33 SER CB C 33 63.893 65.082 -1.189 1
1 309 . 7 1 1 A 33 33 SER N N 33 119.488 114.070 5.418 1
1 310 . 7 1 1 A 34 34 LYS H H 34 8.389 8.373 0.016 1
1 311 . 7 1 1 A 34 34 LYS HA H 34 4.747 5.428 -0.681 1
1 320 . 7 1 1 A 34 34 LYS C C 34 175.517 175.121 0.396 1
1 321 . 7 1 1 A 34 34 LYS CA C 34 55.476 54.674 0.802 1
1 322 . 7 1 1 A 34 34 LYS CB C 34 33.526 35.788 -2.262 1
1 326 . 7 1 1 A 34 34 LYS N N 34 122.954 119.652 3.302 1
1 327 . 7 1 1 A 35 35 LEU H H 35 8.825 8.862 -0.037 1
1 328 . 7 1 1 A 35 35 LEU HA H 35 4.847 4.817 0.030 1
1 338 . 7 1 1 A 35 35 LEU C C 35 177.476 177.350 0.126 1
1 339 . 7 1 1 A 35 35 LEU CA C 35 52.673 53.219 -0.546 1
1 340 . 7 1 1 A 35 35 LEU CB C 35 42.115 44.929 -2.814 1
1 344 . 7 1 1 A 35 35 LEU N N 35 126.489 125.803 0.686 1
1 345 . 7 1 1 A 36 36 GLN H H 36 8.883 9.129 -0.246 1
1 346 . 7 1 1 A 36 36 GLN HA H 36 4.565 4.055 0.510 1
1 353 . 7 1 1 A 36 36 GLN C C 36 175.227 174.937 0.290 1
1 354 . 7 1 1 A 36 36 GLN CA C 36 56.763 58.289 -1.526 1
1 355 . 7 1 1 A 36 36 GLN CB C 36 30.225 29.561 0.664 1
1 357 . 7 1 1 A 36 36 GLN N N 36 116.410 123.041 -6.631 1
1 359 . 7 1 1 A 37 37 SER H H 37 7.345 7.538 -0.193 1
1 360 . 7 1 1 A 37 37 SER HA H 37 4.569 4.016 0.553 1
1 363 . 7 1 1 A 37 37 SER C C 37 179.414 173.543 5.871 1
1 364 . 7 1 1 A 37 37 SER CA C 37 56.780 56.800 -0.020 1
1 365 . 7 1 1 A 37 37 SER CB C 37 66.444 66.635 -0.191 1
1 366 . 7 1 1 A 37 37 SER N N 37 110.125 110.259 -0.134 1
1 367 . 7 1 1 A 38 38 THR H H 38 8.099 8.023 0.076 1
1 368 . 7 1 1 A 38 38 THR HA H 38 3.627 3.785 -0.158 1
1 373 . 7 1 1 A 38 38 THR CA C 38 65.831 65.603 0.228 1
1 374 . 7 1 1 A 38 38 THR CB C 38 68.118 68.975 -0.857 1
1 376 . 7 1 1 A 38 38 THR N N 38 121.696 118.212 3.484 1
1 377 . 7 1 1 A 39 39 ALA HA H 39 4.155 3.895 0.260 1
1 381 . 7 1 1 A 39 39 ALA C C 39 180.623 179.431 1.192 1
1 382 . 7 1 1 A 39 39 ALA CA C 39 55.406 55.267 0.139 1
1 383 . 7 1 1 A 39 39 ALA CB C 39 18.098 18.373 -0.275 1
1 384 . 7 1 1 A 40 40 GLU H H 40 7.881 7.500 0.381 1
1 385 . 7 1 1 A 40 40 GLU HA H 40 4.114 4.086 0.028 1
1 390 . 7 1 1 A 40 40 GLU C C 40 179.352 178.965 0.387 1
1 391 . 7 1 1 A 40 40 GLU CA C 40 58.914 58.362 0.552 1
1 392 . 7 1 1 A 40 40 GLU CB C 40 30.822 29.278 1.544 1
1 394 . 7 1 1 A 40 40 GLU N N 40 118.475 118.188 0.287 1
1 395 . 7 1 1 A 41 41 LEU H H 41 8.096 7.433 0.663 1
1 396 . 7 1 1 A 41 41 LEU HA H 41 4.115 4.052 0.063 1
1 406 . 7 1 1 A 41 41 LEU C C 41 177.620 178.881 -1.261 1
1 407 . 7 1 1 A 41 41 LEU CA C 41 58.841 57.979 0.862 1
1 408 . 7 1 1 A 41 41 LEU CB C 41 41.442 41.710 -0.268 1
1 412 . 7 1 1 A 41 41 LEU N N 41 121.715 122.875 -1.160 1
1 413 . 7 1 1 A 42 42 THR H H 42 8.599 8.131 0.468 1
1 414 . 7 1 1 A 42 42 THR HA H 42 3.860 3.888 -0.028 1
1 419 . 7 1 1 A 42 42 THR C C 42 176.761 176.327 0.434 1
1 420 . 7 1 1 A 42 42 THR CA C 42 67.345 66.099 1.246 1
1 421 . 7 1 1 A 42 42 THR CB C 42 68.758 68.823 -0.065 1
1 423 . 7 1 1 A 42 42 THR N N 42 115.801 115.198 0.603 1
1 424 . 7 1 1 A 43 43 SER H H 43 7.833 8.052 -0.219 1
1 425 . 7 1 1 A 43 43 SER HA H 43 4.251 4.288 -0.037 1
1 428 . 7 1 1 A 43 43 SER C C 43 176.836 175.757 1.079 1
1 429 . 7 1 1 A 43 43 SER CA C 43 61.646 62.022 -0.376 1
1 430 . 7 1 1 A 43 43 SER CB C 43 62.750 63.644 -0.894 1
1 431 . 7 1 1 A 43 43 SER N N 43 115.657 117.562 -1.905 1
1 432 . 7 1 1 A 44 44 HIS H H 44 8.415 8.465 -0.050 1
1 433 . 7 1 1 A 44 44 HIS HA H 44 4.182 4.054 0.128 1
1 438 . 7 1 1 A 44 44 HIS C C 44 177.125 176.789 0.336 1
1 439 . 7 1 1 A 44 44 HIS CA C 44 60.094 60.218 -0.124 1
1 440 . 7 1 1 A 44 44 HIS CB C 44 28.846 29.795 -0.949 1
1 443 . 7 1 1 A 44 44 HIS N N 44 122.271 122.077 0.194 1
1 444 . 7 1 1 A 45 45 LEU H H 45 8.854 8.784 0.070 1
1 445 . 7 1 1 A 45 45 LEU HA H 45 4.100 3.648 0.452 1
1 455 . 7 1 1 A 45 45 LEU C C 45 179.448 178.797 0.651 1
1 456 . 7 1 1 A 45 45 LEU CA C 45 58.297 58.172 0.125 1
1 457 . 7 1 1 A 45 45 LEU CB C 45 41.666 41.091 0.575 1
1 461 . 7 1 1 A 45 45 LEU N N 45 118.289 119.441 -1.152 1
1 462 . 7 1 1 A 46 46 ASN H H 46 7.730 8.293 -0.563 1
1 463 . 7 1 1 A 46 46 ASN HA H 46 4.502 4.374 0.128 1
1 468 . 7 1 1 A 46 46 ASN C C 46 177.759 177.895 -0.136 1
1 469 . 7 1 1 A 46 46 ASN CA C 46 56.163 56.367 -0.204 1
1 470 . 7 1 1 A 46 46 ASN CB C 46 38.069 37.929 0.140 1
1 471 . 7 1 1 A 46 46 ASN N N 46 117.155 116.513 0.642 1
1 473 . 7 1 1 A 47 47 ILE H H 47 7.670 7.793 -0.123 1
1 474 . 7 1 1 A 47 47 ILE HA H 47 3.787 3.662 0.125 1
1 484 . 7 1 1 A 47 47 ILE C C 47 178.447 178.386 0.061 1
1 485 . 7 1 1 A 47 47 ILE CA C 47 64.273 65.090 -0.817 1
1 486 . 7 1 1 A 47 47 ILE CB C 47 37.214 37.496 -0.282 1
1 490 . 7 1 1 A 47 47 ILE N N 47 119.392 119.629 -0.237 1
1 491 . 7 1 1 A 48 48 HIS H H 48 6.999 7.957 -0.958 1
1 492 . 7 1 1 A 48 48 HIS HA H 48 4.437 4.258 0.179 1
1 497 . 7 1 1 A 48 48 HIS C C 48 175.932 177.885 -1.953 1
1 498 . 7 1 1 A 48 48 HIS CA C 48 56.855 60.321 -3.466 1
1 499 . 7 1 1 A 48 48 HIS CB C 48 27.971 29.744 -1.773 1
1 502 . 7 1 1 A 48 48 HIS N N 48 116.931 119.606 -2.675 1
1 503 . 7 1 1 A 49 49 ASN H H 49 8.059 7.905 0.154 1
1 504 . 7 1 1 A 49 49 ASN HA H 49 4.555 4.358 0.197 1
1 509 . 7 1 1 A 49 49 ASN C C 49 177.139 177.855 -0.716 1
1 510 . 7 1 1 A 49 49 ASN CA C 49 55.552 56.455 -0.903 1
1 511 . 7 1 1 A 49 49 ASN CB C 49 38.495 38.136 0.359 1
1 512 . 7 1 1 A 49 49 ASN N N 49 118.208 116.927 1.281 1
1 514 . 7 1 1 A 50 50 GLU H H 50 8.336 8.752 -0.416 1
1 515 . 7 1 1 A 50 50 GLU HA H 50 4.090 4.121 -0.031 1
1 520 . 7 1 1 A 50 50 GLU C C 50 178.637 178.722 -0.085 1
1 521 . 7 1 1 A 50 50 GLU CA C 50 59.246 59.534 -0.288 1
1 522 . 7 1 1 A 50 50 GLU CB C 50 29.582 29.344 0.238 1
1 524 . 7 1 1 A 50 50 GLU N N 50 121.316 117.780 3.536 1
1 525 . 7 1 1 A 51 51 GLU H H 51 7.932 7.696 0.236 1
1 526 . 7 1 1 A 51 51 GLU HA H 51 4.093 4.004 0.089 1
1 531 . 7 1 1 A 51 51 GLU C C 51 179.088 179.043 0.045 1
1 532 . 7 1 1 A 51 51 GLU CA C 51 59.037 59.064 -0.027 1
1 533 . 7 1 1 A 51 51 GLU CB C 51 29.183 29.585 -0.402 1
1 535 . 7 1 1 A 51 51 GLU N N 51 120.058 119.923 0.135 1
1 536 . 7 1 1 A 52 52 PHE H H 52 8.345 8.612 -0.267 1
1 537 . 7 1 1 A 52 52 PHE HA H 52 4.411 4.234 0.177 1
1 545 . 7 1 1 A 52 52 PHE C C 52 178.654 177.420 1.234 1
1 546 . 7 1 1 A 52 52 PHE CA C 52 59.523 61.408 -1.885 1
1 547 . 7 1 1 A 52 52 PHE CB C 52 38.261 39.206 -0.945 1
1 553 . 7 1 1 A 52 52 PHE N N 52 119.698 121.109 -1.411 1
1 554 . 7 1 1 A 53 53 GLN H H 53 8.197 8.537 -0.340 1
1 555 . 7 1 1 A 53 53 GLN HA H 53 4.153 3.788 0.365 1
1 562 . 7 1 1 A 53 53 GLN C C 53 178.059 178.034 0.025 1
1 563 . 7 1 1 A 53 53 GLN CA C 53 58.120 59.086 -0.966 1
1 564 . 7 1 1 A 53 53 GLN CB C 53 28.591 28.575 0.016 1
1 566 . 7 1 1 A 53 53 GLN N N 53 118.967 117.446 1.521 1
1 568 . 7 1 1 A 54 54 LYS H H 54 8.008 7.909 0.099 1
1 569 . 7 1 1 A 54 54 LYS HA H 54 4.118 3.845 0.273 1
1 577 . 7 1 1 A 54 54 LYS C C 54 178.686 178.292 0.394 1
1 578 . 7 1 1 A 54 54 LYS CA C 54 59.002 59.644 -0.642 1
1 579 . 7 1 1 A 54 54 LYS CB C 54 32.608 32.454 0.154 1
1 583 . 7 1 1 A 54 54 LYS N N 54 119.791 119.464 0.327 1
1 584 . 7 1 1 A 55 55 ARG H H 55 7.978 7.632 0.346 1
1 585 . 7 1 1 A 55 55 ARG HA H 55 4.136 3.982 0.154 1
1 592 . 7 1 1 A 55 55 ARG C C 55 177.610 177.826 -0.216 1
1 593 . 7 1 1 A 55 55 ARG CA C 55 58.183 59.342 -1.159 1
1 594 . 7 1 1 A 55 55 ARG CB C 55 30.410 29.756 0.654 1
1 597 . 7 1 1 A 55 55 ARG N N 55 119.619 118.226 1.393 1
1 598 . 7 1 1 A 56 56 ALA H H 56 8.008 7.559 0.449 1
1 599 . 7 1 1 A 56 56 ALA HA H 56 4.196 4.256 -0.060 1
1 603 . 7 1 1 A 56 56 ALA C C 56 179.269 177.599 1.670 1
1 604 . 7 1 1 A 56 56 ALA CA C 56 53.930 52.173 1.757 1
1 605 . 7 1 1 A 56 56 ALA CB C 56 18.539 18.720 -0.181 1
1 606 . 7 1 1 A 56 56 ALA N N 56 122.850 120.763 2.087 1
1 607 . 7 1 1 A 57 57 LYS H H 57 8.014 8.216 -0.202 1
1 608 . 7 1 1 A 57 57 LYS HA H 57 4.225 3.899 0.326 1
1 617 . 7 1 1 A 57 57 LYS C C 57 177.892 177.614 0.278 1
1 618 . 7 1 1 A 57 57 LYS CA C 57 57.504 60.070 -2.566 1
1 619 . 7 1 1 A 57 57 LYS CB C 57 32.646 32.135 0.511 1
1 623 . 7 1 1 A 57 57 LYS N N 57 118.986 119.597 -0.611 1
1 624 . 7 1 1 A 58 58 ARG H H 58 8.039 7.752 0.287 1
1 625 . 7 1 1 A 58 58 ARG HA H 58 4.229 4.374 -0.145 1
1 632 . 7 1 1 A 58 58 ARG C C 58 177.156 176.140 1.016 1
1 633 . 7 1 1 A 58 58 ARG CA C 58 57.425 56.180 1.245 1
1 634 . 7 1 1 A 58 58 ARG CB C 58 30.561 31.180 -0.619 1
1 637 . 7 1 1 A 58 58 ARG N N 58 120.747 118.462 2.285 1
1 638 . 7 1 1 A 59 59 GLN H H 59 8.195 7.913 0.282 1
1 639 . 7 1 1 A 59 59 GLN HA H 59 4.228 4.206 0.022 1
1 644 . 7 1 1 A 59 59 GLN CA C 59 57.412 56.521 0.891 1
1 645 . 7 1 1 A 59 59 GLN CB C 59 32.773 29.129 3.644 1
1 647 . 7 1 1 A 59 59 GLN N N 59 121.145 121.280 -0.135 1
1 648 . 7 1 1 A 60 60 GLU HA H 60 4.256 4.289 -0.033 1
1 653 . 7 1 1 A 60 60 GLU CA C 60 56.093 57.137 -1.044 1
1 654 . 7 1 1 A 60 60 GLU CB C 60 29.429 30.504 -1.075 1
1 656 . 7 1 1 A 63 63 LYS HA H 63 4.263 4.702 -0.439 1
1 663 . 7 1 1 A 63 63 LYS CA C 63 56.908 55.328 1.580 1
1 664 . 7 1 1 A 63 63 LYS CB C 63 32.778 32.803 -0.025 1
1 665 . 7 1 1 A 64 64 GLN H H 64 8.261 8.025 0.236 1
1 666 . 7 1 1 A 64 64 GLN HA H 64 4.253 4.615 -0.362 1
1 673 . 7 1 1 A 64 64 GLN C C 64 176.687 177.325 -0.638 1
1 674 . 7 1 1 A 64 64 GLN CA C 64 56.780 56.416 0.364 1
1 675 . 7 1 1 A 64 64 GLN CB C 64 29.198 30.477 -1.279 1
1 677 . 7 1 1 A 64 64 GLN N N 64 120.299 117.727 2.572 1
1 679 . 7 1 1 A 65 65 LEU H H 65 8.190 7.995 0.195 1
1 680 . 7 1 1 A 65 65 LEU HA H 65 4.306 3.960 0.346 1
1 690 . 7 1 1 A 65 65 LEU C C 65 177.894 177.816 0.078 1
1 691 . 7 1 1 A 65 65 LEU CA C 65 55.952 58.083 -2.131 1
1 692 . 7 1 1 A 65 65 LEU CB C 65 42.313 41.716 0.597 1
1 696 . 7 1 1 A 65 65 LEU N N 65 122.723 120.911 1.812 1
1 697 . 7 1 1 A 66 66 LEU H H 66 8.165 7.597 0.568 1
1 698 . 7 1 1 A 66 66 LEU HA H 66 4.305 4.098 0.207 1
1 708 . 7 1 1 A 66 66 LEU C C 66 177.867 176.232 1.635 1
1 709 . 7 1 1 A 66 66 LEU CA C 66 55.775 56.046 -0.271 1
1 710 . 7 1 1 A 66 66 LEU CB C 66 42.336 41.807 0.529 1
1 714 . 7 1 1 A 66 66 LEU N N 66 121.812 121.838 -0.026 1
1 715 . 7 1 1 A 67 67 SER H H 67 8.104 8.739 -0.635 1
1 716 . 7 1 1 A 67 67 SER CA C 67 58.896 57.185 1.711 1
1 717 . 7 1 1 A 67 67 SER CB C 67 63.674 65.803 -2.129 1
1 718 . 7 1 1 A 67 67 SER N N 67 115.632 121.561 -5.929 1
1 719 . 7 1 1 A 69 69 GLN HA H 69 4.221 5.193 -0.972 1
1 724 . 7 1 1 A 69 69 GLN CA C 69 57.547 54.551 2.996 1
1 725 . 7 1 1 A 69 69 GLN CB C 69 30.314 32.958 -2.644 1
1 727 . 7 1 1 A 70 70 LYS H H 70 8.255 8.720 -0.465 1
1 728 . 7 1 1 A 70 70 LYS HA H 70 4.220 5.042 -0.822 1
1 737 . 7 1 1 A 70 70 LYS C C 70 176.303 174.225 2.078 1
1 738 . 7 1 1 A 70 70 LYS CA C 70 56.639 55.742 0.897 1
1 739 . 7 1 1 A 70 70 LYS CB C 70 33.080 36.794 -3.714 1
1 743 . 7 1 1 A 70 70 LYS N N 70 121.417 121.066 0.351 1
1 744 . 7 1 1 A 71 71 TYR H H 71 8.142 9.118 -0.976 1
1 745 . 7 1 1 A 71 71 TYR HA H 71 4.571 5.489 -0.918 1
1 752 . 7 1 1 A 71 71 TYR C C 71 175.736 172.768 2.968 1
1 753 . 7 1 1 A 71 71 TYR CA C 71 57.768 55.937 1.831 1
1 754 . 7 1 1 A 71 71 TYR CB C 71 38.894 41.582 -2.688 1
1 759 . 7 1 1 A 71 71 TYR N N 71 120.561 119.653 0.908 1
1 760 . 7 1 1 A 72 72 ALA H H 72 8.237 8.588 -0.351 1
1 761 . 7 1 1 A 72 72 ALA HA H 72 4.292 4.817 -0.525 1
1 765 . 7 1 1 A 72 72 ALA C C 72 177.276 175.149 2.127 1
1 766 . 7 1 1 A 72 72 ALA CA C 72 52.642 51.375 1.267 1
1 767 . 7 1 1 A 72 72 ALA CB C 72 19.405 23.407 -4.002 1
1 768 . 7 1 1 A 72 72 ALA N N 72 125.192 121.760 3.432 1
1 769 . 7 1 1 A 73 73 ASP H H 73 8.220 8.687 -0.467 1
1 770 . 7 1 1 A 73 73 ASP HA H 73 4.549 5.145 -0.596 1
1 773 . 7 1 1 A 73 73 ASP C C 73 176.922 174.670 2.252 1
1 774 . 7 1 1 A 73 73 ASP CA C 73 54.682 53.285 1.397 1
1 775 . 7 1 1 A 73 73 ASP CB C 73 41.239 45.279 -4.040 1
1 776 . 7 1 1 A 73 73 ASP N N 73 119.269 118.690 0.579 1
1 777 . 7 1 1 A 74 74 GLY H H 74 8.269 8.391 -0.122 1
1 778 . 7 1 1 A 74 74 GLY HA2 H 74 3.963 4.148 -0.185 1
1 779 . 7 1 1 A 74 74 GLY HA3 H 74 3.879 4.153 -0.274 1
1 780 . 7 1 1 A 74 74 GLY C C 74 174.132 171.921 2.211 1
1 781 . 7 1 1 A 74 74 GLY CA C 74 45.551 44.628 0.923 1
1 782 . 7 1 1 A 74 74 GLY N N 74 109.209 107.748 1.461 1
1 783 . 7 1 1 A 75 75 ALA H H 75 8.048 8.277 -0.229 1
1 784 . 7 1 1 A 75 75 ALA HA H 75 4.221 5.241 -1.020 1
1 788 . 7 1 1 A 75 75 ALA C C 75 177.507 175.384 2.123 1
1 789 . 7 1 1 A 75 75 ALA CA C 75 52.638 50.987 1.651 1
1 790 . 7 1 1 A 75 75 ALA CB C 75 19.281 23.665 -4.384 1
1 791 . 7 1 1 A 75 75 ALA N N 75 123.382 121.736 1.646 1
1 792 . 7 1 1 A 76 76 PHE H H 76 8.126 8.927 -0.801 1
1 793 . 7 1 1 A 76 76 PHE HA H 76 4.541 4.830 -0.289 1
1 798 . 7 1 1 A 76 76 PHE C C 76 175.620 174.148 1.472 1
1 799 . 7 1 1 A 76 76 PHE CA C 76 57.733 58.188 -0.455 1
1 800 . 7 1 1 A 76 76 PHE CB C 76 39.429 40.230 -0.801 1
1 801 . 7 1 1 A 76 76 PHE N N 76 118.540 121.500 -2.960 1
1 802 . 7 1 1 A 77 77 ALA H H 77 8.017 7.009 1.008 1
1 803 . 7 1 1 A 77 77 ALA HA H 77 4.207 4.739 -0.532 1
1 807 . 7 1 1 A 77 77 ALA C C 77 176.990 176.113 0.877 1
1 808 . 7 1 1 A 77 77 ALA CA C 77 52.602 50.000 2.602 1
1 809 . 7 1 1 A 77 77 ALA CB C 77 19.528 20.721 -1.193 1
1 810 . 7 1 1 A 77 77 ALA N N 77 124.826 127.005 -2.179 1
1 811 . 7 1 1 A 78 78 ASP H H 78 8.061 8.784 -0.723 1
1 812 . 7 1 1 A 78 78 ASP HA H 78 4.538 4.594 -0.056 1
1 815 . 7 1 1 A 78 78 ASP C C 78 175.908 175.939 -0.031 1
1 816 . 7 1 1 A 78 78 ASP CA C 78 54.189 54.727 -0.538 1
1 817 . 7 1 1 A 78 78 ASP CB C 78 41.242 43.164 -1.922 1
1 818 . 7 1 1 A 78 78 ASP N N 78 119.019 122.335 -3.316 1
1 819 . 7 1 1 A 79 79 PHE H H 79 8.023 7.512 0.511 1
1 820 . 7 1 1 A 79 79 PHE HA H 79 4.586 4.534 0.052 1
1 825 . 7 1 1 A 79 79 PHE C C 79 175.551 175.057 0.494 1
1 826 . 7 1 1 A 79 79 PHE CA C 79 57.891 57.761 0.130 1
1 827 . 7 1 1 A 79 79 PHE CB C 79 39.484 38.014 1.470 1
1 828 . 7 1 1 A 79 79 PHE N N 79 120.449 118.535 1.914 1
1 829 . 7 1 1 A 80 80 LYS H H 80 8.161 8.196 -0.035 1
1 830 . 7 1 1 A 80 80 LYS HA H 80 4.251 4.475 -0.224 1
1 836 . 7 1 1 A 80 80 LYS C C 80 176.027 175.775 0.252 1
1 837 . 7 1 1 A 80 80 LYS CA C 80 56.233 55.721 0.512 1
1 838 . 7 1 1 A 80 80 LYS CB C 80 33.084 33.706 -0.622 1
1 842 . 7 1 1 A 80 80 LYS N N 80 123.309 125.866 -2.557 1
1 843 . 7 1 1 A 81 81 GLN H H 81 8.329 8.591 -0.262 1
1 844 . 7 1 1 A 81 81 GLN HA H 81 4.284 4.530 -0.246 1
1 851 . 7 1 1 A 81 81 GLN C C 81 176.009 175.776 0.233 1
1 852 . 7 1 1 A 81 81 GLN CA C 81 55.952 54.746 1.206 1
1 853 . 7 1 1 A 81 81 GLN CB C 81 29.623 28.262 1.361 1
1 855 . 7 1 1 A 81 81 GLN N N 81 121.944 124.316 -2.372 1
1 857 . 7 1 1 A 82 82 GLU H H 82 8.542 7.968 0.574 1
1 858 . 7 1 1 A 82 82 GLU HA H 82 4.350 4.570 -0.220 1
1 862 . 7 1 1 A 82 82 GLU C C 82 176.509 176.137 0.372 1
1 863 . 7 1 1 A 82 82 GLU CA C 82 56.675 55.237 1.438 1
1 864 . 7 1 1 A 82 82 GLU CB C 82 30.447 30.586 -0.139 1
1 866 . 7 1 1 A 82 82 GLU N N 82 122.687 124.517 -1.830 1
1 867 . 7 1 1 A 83 83 SER H H 83 8.418 8.996 -0.578 1
1 868 . 7 1 1 A 83 83 SER HA H 83 4.516 4.803 -0.287 1
1 871 . 7 1 1 A 83 83 SER C C 83 174.538 175.116 -0.578 1
1 872 . 7 1 1 A 83 83 SER CA C 83 58.403 57.590 0.813 1
1 873 . 7 1 1 A 83 83 SER CB C 83 64.018 64.423 -0.405 1
1 874 . 7 1 1 A 83 83 SER N N 83 116.897 118.263 -1.366 1
1 875 . 7 1 1 A 84 84 GLY H H 84 8.276 8.489 -0.213 1
1 876 . 7 1 1 A 84 84 GLY C C 84 171.814 174.847 -3.033 1
1 877 . 7 1 1 A 84 84 GLY CA C 84 44.722 47.478 -2.756 1
1 878 . 7 1 1 A 84 84 GLY N N 84 110.673 112.058 -1.385 1
1 879 . 7 1 1 A 85 85 PRO HA H 85 4.497 4.454 0.043 1
1 885 . 7 1 1 A 85 85 PRO C C 85 177.204 177.062 0.142 1
1 886 . 7 1 1 A 85 85 PRO CA C 85 63.290 62.400 0.890 1
1 887 . 7 1 1 A 85 85 PRO CB C 85 32.228 32.822 -0.594 1
1 890 . 7 1 1 A 86 86 SER H H 86 8.331 8.719 -0.388 1
1 891 . 7 1 1 A 86 86 SER HA H 86 4.339 4.182 0.157 1
1 892 . 7 1 1 A 86 86 SER C C 86 174.935 175.278 -0.343 1
1 893 . 7 1 1 A 86 86 SER CA C 86 61.769 61.594 0.175 1
1 894 . 7 1 1 A 86 86 SER CB C 86 69.836 62.773 7.063 1
1 895 . 7 1 1 A 86 86 SER N N 86 114.681 116.632 -1.951 1
1 896 . 7 1 1 A 87 87 SER H H 87 8.121 7.671 0.450 1
1 897 . 7 1 1 A 87 87 SER CA C 87 61.963 59.644 2.319 1
1 898 . 7 1 1 A 87 87 SER CB C 87 69.818 62.798 7.020 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.975 4.226 -0.251 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.975 4.234 -0.259 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.115 174.254 -0.139 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.392 44.983 0.409 1
1 5 . 8 1 1 A 8 8 LEU H H 8 8.037 8.355 -0.318 1
1 6 . 8 1 1 A 8 8 LEU HA H 8 4.347 4.489 -0.142 1
1 16 . 8 1 1 A 8 8 LEU C C 8 177.426 176.008 1.418 1
1 17 . 8 1 1 A 8 8 LEU CA C 8 55.352 55.885 -0.533 1
1 18 . 8 1 1 A 8 8 LEU CB C 8 42.478 44.086 -1.608 1
1 22 . 8 1 1 A 8 8 LEU N N 8 121.686 122.891 -1.205 1
1 23 . 8 1 1 A 9 9 LYS H H 9 8.309 7.734 0.575 1
1 24 . 8 1 1 A 9 9 LYS HA H 9 4.319 4.771 -0.452 1
1 29 . 8 1 1 A 9 9 LYS CA C 9 56.195 54.506 1.689 1
1 30 . 8 1 1 A 9 9 LYS CB C 9 32.820 34.622 -1.802 1
1 34 . 8 1 1 A 9 9 LYS N N 9 122.335 116.400 5.935 1
1 35 . 8 1 1 A 10 10 ARG HA H 10 4.306 5.057 -0.751 1
1 42 . 8 1 1 A 10 10 ARG C C 10 175.845 174.393 1.452 1
1 43 . 8 1 1 A 10 10 ARG CA C 10 56.146 55.117 1.029 1
1 44 . 8 1 1 A 10 10 ARG CB C 10 31.005 30.943 0.062 1
1 47 . 8 1 1 A 11 11 ASP H H 11 8.293 9.167 -0.874 1
1 48 . 8 1 1 A 11 11 ASP HA H 11 4.582 5.209 -0.627 1
1 51 . 8 1 1 A 11 11 ASP C C 11 175.382 175.007 0.375 1
1 52 . 8 1 1 A 11 11 ASP CA C 11 54.612 53.756 0.856 1
1 53 . 8 1 1 A 11 11 ASP CB C 11 41.572 41.003 0.569 1
1 54 . 8 1 1 A 11 11 ASP N N 11 120.563 125.876 -5.313 1
1 55 . 8 1 1 A 12 12 PHE H H 12 7.961 8.923 -0.962 1
1 56 . 8 1 1 A 12 12 PHE HA H 12 4.758 5.148 -0.390 1
1 63 . 8 1 1 A 12 12 PHE C C 12 175.068 174.583 0.485 1
1 64 . 8 1 1 A 12 12 PHE CA C 12 58.990 56.399 2.591 1
1 65 . 8 1 1 A 12 12 PHE CB C 12 40.037 44.272 -4.235 1
1 70 . 8 1 1 A 12 12 PHE N N 12 118.808 120.525 -1.717 1
1 71 . 8 1 1 A 13 13 ILE H H 13 8.167 8.743 -0.576 1
1 72 . 8 1 1 A 13 13 ILE HA H 13 4.167 4.676 -0.509 1
1 82 . 8 1 1 A 13 13 ILE C C 13 175.712 173.965 1.747 1
1 83 . 8 1 1 A 13 13 ILE CA C 13 60.976 60.471 0.505 1
1 84 . 8 1 1 A 13 13 ILE CB C 13 39.277 41.375 -2.098 1
1 88 . 8 1 1 A 13 13 ILE N N 13 122.190 119.984 2.206 1
1 89 . 8 1 1 A 14 14 ILE H H 14 8.287 8.735 -0.448 1
1 90 . 8 1 1 A 14 14 ILE HA H 14 4.163 4.650 -0.487 1
1 100 . 8 1 1 A 14 14 ILE C C 14 176.116 175.383 0.733 1
1 101 . 8 1 1 A 14 14 ILE CA C 14 61.142 59.470 1.672 1
1 102 . 8 1 1 A 14 14 ILE CB C 14 38.438 41.491 -3.053 1
1 106 . 8 1 1 A 14 14 ILE N N 14 125.550 129.069 -3.519 1
1 107 . 8 1 1 A 15 15 LEU H H 15 8.398 8.787 -0.389 1
1 108 . 8 1 1 A 15 15 LEU HA H 15 4.397 3.926 0.471 1
1 118 . 8 1 1 A 15 15 LEU C C 15 177.749 176.777 0.972 1
1 119 . 8 1 1 A 15 15 LEU CA C 15 55.123 56.026 -0.903 1
1 120 . 8 1 1 A 15 15 LEU CB C 15 42.560 40.318 2.242 1
1 124 . 8 1 1 A 15 15 LEU N N 15 127.408 122.175 5.233 1
1 125 . 8 1 1 A 16 16 GLY H H 16 8.347 8.210 0.137 1
1 126 . 8 1 1 A 16 16 GLY HA2 H 16 3.964 4.088 -0.124 1
1 127 . 8 1 1 A 16 16 GLY HA3 H 16 3.964 4.088 -0.124 1
1 128 . 8 1 1 A 16 16 GLY C C 16 172.979 172.964 0.015 1
1 129 . 8 1 1 A 16 16 GLY CA C 16 45.286 45.771 -0.485 1
1 130 . 8 1 1 A 16 16 GLY N N 16 109.546 105.327 4.219 1
1 131 . 8 1 1 A 17 17 ASN H H 17 7.974 7.838 0.136 1
1 132 . 8 1 1 A 17 17 ASN HA H 17 4.577 5.100 -0.523 1
1 137 . 8 1 1 A 17 17 ASN C C 17 175.869 174.292 1.577 1
1 138 . 8 1 1 A 17 17 ASN CA C 17 54.665 52.275 2.390 1
1 139 . 8 1 1 A 17 17 ASN CB C 17 40.830 42.443 -1.613 1
1 140 . 8 1 1 A 17 17 ASN N N 17 124.057 116.407 7.650 1
1 142 . 8 1 1 A 18 18 GLY H H 18 8.150 8.554 -0.404 1
1 143 . 8 1 1 A 18 18 GLY HA2 H 18 4.073 4.152 -0.079 1
1 144 . 8 1 1 A 18 18 GLY HA3 H 18 4.073 4.152 -0.079 1
1 145 . 8 1 1 A 18 18 GLY C C 18 172.372 173.754 -1.382 1
1 146 . 8 1 1 A 18 18 GLY CA C 18 44.898 45.230 -0.332 1
1 147 . 8 1 1 A 18 18 GLY N N 18 113.988 108.560 5.428 1
1 148 . 8 1 1 A 19 19 PRO HA H 19 4.441 4.637 -0.196 1
1 155 . 8 1 1 A 19 19 PRO C C 19 177.039 177.316 -0.277 1
1 156 . 8 1 1 A 19 19 PRO CA C 19 63.268 62.242 1.026 1
1 157 . 8 1 1 A 19 19 PRO CB C 19 32.159 29.714 2.445 1
1 160 . 8 1 1 A 20 20 ARG H H 20 8.414 8.802 -0.388 1
1 161 . 8 1 1 A 20 20 ARG HA H 20 4.339 4.175 0.164 1
1 167 . 8 1 1 A 20 20 ARG C C 20 176.312 176.322 -0.010 1
1 168 . 8 1 1 A 20 20 ARG CA C 20 56.111 58.572 -2.461 1
1 169 . 8 1 1 A 20 20 ARG CB C 20 30.612 30.973 -0.361 1
1 172 . 8 1 1 A 20 20 ARG N N 20 120.839 121.851 -1.012 1
1 173 . 8 1 1 A 21 21 LEU H H 21 8.306 7.608 0.698 1
1 174 . 8 1 1 A 21 21 LEU HA H 21 4.405 4.639 -0.234 1
1 183 . 8 1 1 A 21 21 LEU C C 21 177.403 174.478 2.925 1
1 184 . 8 1 1 A 21 21 LEU CA C 21 55.141 53.774 1.367 1
1 185 . 8 1 1 A 21 21 LEU CB C 21 42.190 44.663 -2.473 1
1 189 . 8 1 1 A 21 21 LEU N N 21 123.561 114.033 9.528 1
1 190 . 8 1 1 A 22 22 GLN H H 22 8.406 8.777 -0.371 1
1 191 . 8 1 1 A 22 22 GLN HA H 22 4.336 5.009 -0.673 1
1 198 . 8 1 1 A 22 22 GLN C C 22 175.699 175.637 0.062 1
1 199 . 8 1 1 A 22 22 GLN CA C 22 56.181 54.226 1.955 1
1 200 . 8 1 1 A 22 22 GLN CB C 22 29.492 31.808 -2.316 1
1 202 . 8 1 1 A 22 22 GLN N N 22 120.835 119.619 1.216 1
1 204 . 8 1 1 A 24 24 SER HA H 24 4.451 4.522 -0.071 1
1 207 . 8 1 1 A 24 24 SER C C 24 173.514 175.022 -1.508 1
1 208 . 8 1 1 A 24 24 SER CA C 24 58.579 58.269 0.310 1
1 209 . 8 1 1 A 24 24 SER CB C 24 63.967 63.829 0.138 1
1 210 . 8 1 1 A 25 25 THR H H 25 7.806 8.730 -0.924 1
1 211 . 8 1 1 A 25 25 THR HA H 25 4.348 5.716 -1.368 1
1 216 . 8 1 1 A 25 25 THR C C 25 173.359 173.334 0.025 1
1 217 . 8 1 1 A 25 25 THR CA C 25 61.593 59.592 2.001 1
1 218 . 8 1 1 A 25 25 THR CB C 25 70.716 70.954 -0.238 1
1 220 . 8 1 1 A 25 25 THR N N 25 114.185 114.378 -0.193 1
1 221 . 8 1 1 A 26 26 TYR H H 26 8.598 9.564 -0.966 1
1 222 . 8 1 1 A 26 26 TYR HA H 26 4.670 5.104 -0.434 1
1 229 . 8 1 1 A 26 26 TYR C C 26 174.444 175.190 -0.746 1
1 230 . 8 1 1 A 26 26 TYR CA C 26 56.798 56.822 -0.024 1
1 231 . 8 1 1 A 26 26 TYR CB C 26 39.717 39.534 0.183 1
1 236 . 8 1 1 A 26 26 TYR N N 26 121.326 122.670 -1.344 1
1 237 . 8 1 1 A 27 27 GLN H H 27 8.528 8.846 -0.318 1
1 238 . 8 1 1 A 27 27 GLN HA H 27 4.670 4.830 -0.160 1
1 245 . 8 1 1 A 27 27 GLN C C 27 175.055 175.484 -0.429 1
1 246 . 8 1 1 A 27 27 GLN CA C 27 54.718 55.749 -1.031 1
1 247 . 8 1 1 A 27 27 GLN CB C 27 30.938 28.761 2.177 1
1 249 . 8 1 1 A 27 27 GLN N N 27 123.045 124.772 -1.727 1
1 251 . 8 1 1 A 28 28 CYS H H 28 8.682 8.580 0.102 1
1 252 . 8 1 1 A 28 28 CYS HA H 28 4.331 4.572 -0.241 1
1 255 . 8 1 1 A 28 28 CYS C C 28 176.610 176.990 -0.380 1
1 256 . 8 1 1 A 28 28 CYS CA C 28 60.394 59.864 0.530 1
1 257 . 8 1 1 A 28 28 CYS CB C 28 29.850 28.706 1.144 1
1 258 . 8 1 1 A 28 28 CYS N N 28 129.276 125.603 3.673 1
1 259 . 8 1 1 A 29 29 LYS H H 29 8.454 8.753 -0.299 1
1 260 . 8 1 1 A 29 29 LYS HA H 29 4.257 4.359 -0.102 1
1 269 . 8 1 1 A 29 29 LYS C C 29 176.581 175.801 0.780 1
1 270 . 8 1 1 A 29 29 LYS CA C 29 57.584 57.733 -0.149 1
1 271 . 8 1 1 A 29 29 LYS CB C 29 32.145 31.897 0.248 1
1 275 . 8 1 1 A 29 29 LYS N N 29 127.445 123.699 3.746 1
1 276 . 8 1 1 A 30 30 HIS H H 30 9.625 8.090 1.535 1
1 277 . 8 1 1 A 30 30 HIS HA H 30 4.608 4.629 -0.021 1
1 281 . 8 1 1 A 30 30 HIS C C 30 175.524 176.473 -0.949 1
1 282 . 8 1 1 A 30 30 HIS CA C 30 56.956 57.076 -0.120 1
1 283 . 8 1 1 A 30 30 HIS CB C 30 30.732 31.573 -0.841 1
1 285 . 8 1 1 A 30 30 HIS N N 30 121.657 116.536 5.121 1
1 286 . 8 1 1 A 31 31 CYS H H 31 8.086 8.135 -0.049 1
1 287 . 8 1 1 A 31 31 CYS HA H 31 5.078 4.593 0.485 1
1 290 . 8 1 1 A 31 31 CYS C C 31 173.769 174.519 -0.750 1
1 291 . 8 1 1 A 31 31 CYS CA C 31 58.349 58.317 0.032 1
1 292 . 8 1 1 A 31 31 CYS CB C 31 31.268 29.772 1.496 1
1 293 . 8 1 1 A 31 31 CYS N N 31 118.457 113.830 4.627 1
1 294 . 8 1 1 A 32 32 ASP H H 32 8.135 8.244 -0.109 1
1 295 . 8 1 1 A 32 32 ASP HA H 32 4.637 4.568 0.069 1
1 298 . 8 1 1 A 32 32 ASP C C 32 176.540 174.953 1.587 1
1 299 . 8 1 1 A 32 32 ASP CA C 32 55.687 55.537 0.150 1
1 300 . 8 1 1 A 32 32 ASP CB C 32 40.418 39.073 1.345 1
1 301 . 8 1 1 A 32 32 ASP N N 32 116.820 117.888 -1.068 1
1 302 . 8 1 1 A 33 33 SER H H 33 8.667 8.039 0.628 1
1 303 . 8 1 1 A 33 33 SER HA H 33 4.267 4.787 -0.520 1
1 306 . 8 1 1 A 33 33 SER C C 33 172.462 172.921 -0.459 1
1 307 . 8 1 1 A 33 33 SER CA C 33 61.452 57.846 3.606 1
1 308 . 8 1 1 A 33 33 SER CB C 33 63.893 65.500 -1.607 1
1 309 . 8 1 1 A 33 33 SER N N 33 119.488 113.498 5.990 1
1 310 . 8 1 1 A 34 34 LYS H H 34 8.389 8.367 0.022 1
1 311 . 8 1 1 A 34 34 LYS HA H 34 4.747 5.442 -0.695 1
1 320 . 8 1 1 A 34 34 LYS C C 34 175.517 175.316 0.201 1
1 321 . 8 1 1 A 34 34 LYS CA C 34 55.476 54.759 0.717 1
1 322 . 8 1 1 A 34 34 LYS CB C 34 33.526 35.580 -2.054 1
1 326 . 8 1 1 A 34 34 LYS N N 34 122.954 119.563 3.391 1
1 327 . 8 1 1 A 35 35 LEU H H 35 8.825 8.363 0.462 1
1 328 . 8 1 1 A 35 35 LEU HA H 35 4.847 4.855 -0.008 1
1 338 . 8 1 1 A 35 35 LEU C C 35 177.476 177.143 0.333 1
1 339 . 8 1 1 A 35 35 LEU CA C 35 52.673 53.215 -0.542 1
1 340 . 8 1 1 A 35 35 LEU CB C 35 42.115 45.009 -2.894 1
1 344 . 8 1 1 A 35 35 LEU N N 35 126.489 125.793 0.696 1
1 345 . 8 1 1 A 36 36 GLN H H 36 8.883 8.533 0.350 1
1 346 . 8 1 1 A 36 36 GLN HA H 36 4.565 4.116 0.449 1
1 353 . 8 1 1 A 36 36 GLN C C 36 175.227 175.662 -0.435 1
1 354 . 8 1 1 A 36 36 GLN CA C 36 56.763 58.574 -1.811 1
1 355 . 8 1 1 A 36 36 GLN CB C 36 30.225 29.563 0.662 1
1 357 . 8 1 1 A 36 36 GLN N N 36 116.410 121.279 -4.869 1
1 359 . 8 1 1 A 37 37 SER H H 37 7.345 7.409 -0.064 1
1 360 . 8 1 1 A 37 37 SER HA H 37 4.569 3.180 1.389 1
1 363 . 8 1 1 A 37 37 SER C C 37 179.414 173.113 6.301 1
1 364 . 8 1 1 A 37 37 SER CA C 37 56.780 56.193 0.587 1
1 365 . 8 1 1 A 37 37 SER CB C 37 66.444 64.594 1.850 1
1 366 . 8 1 1 A 37 37 SER N N 37 110.125 109.940 0.185 1
1 367 . 8 1 1 A 38 38 THR H H 38 8.099 8.343 -0.244 1
1 368 . 8 1 1 A 38 38 THR HA H 38 3.627 3.836 -0.209 1
1 373 . 8 1 1 A 38 38 THR CA C 38 65.831 66.371 -0.540 1
1 374 . 8 1 1 A 38 38 THR CB C 38 68.118 68.859 -0.741 1
1 376 . 8 1 1 A 38 38 THR N N 38 121.696 119.362 2.334 1
1 377 . 8 1 1 A 39 39 ALA HA H 39 4.155 4.030 0.125 1
1 381 . 8 1 1 A 39 39 ALA C C 39 180.623 179.623 1.000 1
1 382 . 8 1 1 A 39 39 ALA CA C 39 55.406 55.547 -0.141 1
1 383 . 8 1 1 A 39 39 ALA CB C 39 18.098 18.831 -0.733 1
1 384 . 8 1 1 A 40 40 GLU H H 40 7.881 8.149 -0.268 1
1 385 . 8 1 1 A 40 40 GLU HA H 40 4.114 4.108 0.006 1
1 390 . 8 1 1 A 40 40 GLU C C 40 179.352 179.089 0.263 1
1 391 . 8 1 1 A 40 40 GLU CA C 40 58.914 59.108 -0.194 1
1 392 . 8 1 1 A 40 40 GLU CB C 40 30.822 29.680 1.142 1
1 394 . 8 1 1 A 40 40 GLU N N 40 118.475 117.874 0.601 1
1 395 . 8 1 1 A 41 41 LEU H H 41 8.096 7.928 0.168 1
1 396 . 8 1 1 A 41 41 LEU HA H 41 4.115 4.096 0.019 1
1 406 . 8 1 1 A 41 41 LEU C C 41 177.620 178.624 -1.004 1
1 407 . 8 1 1 A 41 41 LEU CA C 41 58.841 57.740 1.101 1
1 408 . 8 1 1 A 41 41 LEU CB C 41 41.442 41.633 -0.191 1
1 412 . 8 1 1 A 41 41 LEU N N 41 121.715 122.430 -0.715 1
1 413 . 8 1 1 A 42 42 THR H H 42 8.599 8.454 0.145 1
1 414 . 8 1 1 A 42 42 THR HA H 42 3.860 4.002 -0.142 1
1 419 . 8 1 1 A 42 42 THR C C 42 176.761 176.332 0.429 1
1 420 . 8 1 1 A 42 42 THR CA C 42 67.345 66.081 1.264 1
1 421 . 8 1 1 A 42 42 THR CB C 42 68.758 68.478 0.280 1
1 423 . 8 1 1 A 42 42 THR N N 42 115.801 115.572 0.229 1
1 424 . 8 1 1 A 43 43 SER H H 43 7.833 7.729 0.104 1
1 425 . 8 1 1 A 43 43 SER HA H 43 4.251 4.347 -0.096 1
1 428 . 8 1 1 A 43 43 SER C C 43 176.836 176.720 0.116 1
1 429 . 8 1 1 A 43 43 SER CA C 43 61.646 61.220 0.426 1
1 430 . 8 1 1 A 43 43 SER CB C 43 62.750 62.939 -0.189 1
1 431 . 8 1 1 A 43 43 SER N N 43 115.657 116.497 -0.840 1
1 432 . 8 1 1 A 44 44 HIS H H 44 8.415 8.212 0.203 1
1 433 . 8 1 1 A 44 44 HIS HA H 44 4.182 4.310 -0.128 1
1 438 . 8 1 1 A 44 44 HIS C C 44 177.125 177.340 -0.215 1
1 439 . 8 1 1 A 44 44 HIS CA C 44 60.094 59.875 0.219 1
1 440 . 8 1 1 A 44 44 HIS CB C 44 28.846 30.328 -1.482 1
1 443 . 8 1 1 A 44 44 HIS N N 44 122.271 121.638 0.633 1
1 444 . 8 1 1 A 45 45 LEU H H 45 8.854 8.912 -0.058 1
1 445 . 8 1 1 A 45 45 LEU HA H 45 4.100 3.692 0.408 1
1 455 . 8 1 1 A 45 45 LEU C C 45 179.448 178.945 0.503 1
1 456 . 8 1 1 A 45 45 LEU CA C 45 58.297 57.896 0.401 1
1 457 . 8 1 1 A 45 45 LEU CB C 45 41.666 41.177 0.489 1
1 461 . 8 1 1 A 45 45 LEU N N 45 118.289 119.438 -1.149 1
1 462 . 8 1 1 A 46 46 ASN H H 46 7.730 8.408 -0.678 1
1 463 . 8 1 1 A 46 46 ASN HA H 46 4.502 4.435 0.067 1
1 468 . 8 1 1 A 46 46 ASN C C 46 177.759 178.012 -0.253 1
1 469 . 8 1 1 A 46 46 ASN CA C 46 56.163 56.490 -0.327 1
1 470 . 8 1 1 A 46 46 ASN CB C 46 38.069 37.933 0.136 1
1 471 . 8 1 1 A 46 46 ASN N N 46 117.155 117.335 -0.180 1
1 473 . 8 1 1 A 47 47 ILE H H 47 7.670 7.683 -0.013 1
1 474 . 8 1 1 A 47 47 ILE HA H 47 3.787 3.834 -0.047 1
1 484 . 8 1 1 A 47 47 ILE C C 47 178.447 178.093 0.354 1
1 485 . 8 1 1 A 47 47 ILE CA C 47 64.273 65.273 -1.000 1
1 486 . 8 1 1 A 47 47 ILE CB C 47 37.214 37.387 -0.173 1
1 490 . 8 1 1 A 47 47 ILE N N 47 119.392 119.714 -0.322 1
1 491 . 8 1 1 A 48 48 HIS H H 48 6.999 7.991 -0.992 1
1 492 . 8 1 1 A 48 48 HIS HA H 48 4.437 4.241 0.196 1
1 497 . 8 1 1 A 48 48 HIS C C 48 175.932 177.884 -1.952 1
1 498 . 8 1 1 A 48 48 HIS CA C 48 56.855 60.190 -3.335 1
1 499 . 8 1 1 A 48 48 HIS CB C 48 27.971 30.141 -2.170 1
1 502 . 8 1 1 A 48 48 HIS N N 48 116.931 119.861 -2.930 1
1 503 . 8 1 1 A 49 49 ASN H H 49 8.059 7.889 0.170 1
1 504 . 8 1 1 A 49 49 ASN HA H 49 4.555 4.259 0.296 1
1 509 . 8 1 1 A 49 49 ASN C C 49 177.139 177.806 -0.667 1
1 510 . 8 1 1 A 49 49 ASN CA C 49 55.552 56.503 -0.951 1
1 511 . 8 1 1 A 49 49 ASN CB C 49 38.495 37.898 0.597 1
1 512 . 8 1 1 A 49 49 ASN N N 49 118.208 117.175 1.033 1
1 514 . 8 1 1 A 50 50 GLU H H 50 8.336 8.892 -0.556 1
1 515 . 8 1 1 A 50 50 GLU HA H 50 4.090 4.065 0.025 1
1 520 . 8 1 1 A 50 50 GLU C C 50 178.637 178.781 -0.144 1
1 521 . 8 1 1 A 50 50 GLU CA C 50 59.246 59.538 -0.292 1
1 522 . 8 1 1 A 50 50 GLU CB C 50 29.582 29.283 0.299 1
1 524 . 8 1 1 A 50 50 GLU N N 50 121.316 117.805 3.511 1
1 525 . 8 1 1 A 51 51 GLU H H 51 7.932 7.602 0.330 1
1 526 . 8 1 1 A 51 51 GLU HA H 51 4.093 4.025 0.068 1
1 531 . 8 1 1 A 51 51 GLU C C 51 179.088 178.961 0.127 1
1 532 . 8 1 1 A 51 51 GLU CA C 51 59.037 58.932 0.105 1
1 533 . 8 1 1 A 51 51 GLU CB C 51 29.183 29.494 -0.311 1
1 535 . 8 1 1 A 51 51 GLU N N 51 120.058 119.948 0.110 1
1 536 . 8 1 1 A 52 52 PHE H H 52 8.345 8.659 -0.314 1
1 537 . 8 1 1 A 52 52 PHE HA H 52 4.411 4.131 0.280 1
1 545 . 8 1 1 A 52 52 PHE C C 52 178.654 177.218 1.436 1
1 546 . 8 1 1 A 52 52 PHE CA C 52 59.523 61.820 -2.297 1
1 547 . 8 1 1 A 52 52 PHE CB C 52 38.261 39.266 -1.005 1
1 553 . 8 1 1 A 52 52 PHE N N 52 119.698 121.536 -1.838 1
1 554 . 8 1 1 A 53 53 GLN H H 53 8.197 8.031 0.166 1
1 555 . 8 1 1 A 53 53 GLN HA H 53 4.153 4.012 0.141 1
1 562 . 8 1 1 A 53 53 GLN C C 53 178.059 178.133 -0.074 1
1 563 . 8 1 1 A 53 53 GLN CA C 53 58.120 59.385 -1.265 1
1 564 . 8 1 1 A 53 53 GLN CB C 53 28.591 28.285 0.306 1
1 566 . 8 1 1 A 53 53 GLN N N 53 118.967 117.379 1.588 1
1 568 . 8 1 1 A 54 54 LYS H H 54 8.008 7.740 0.268 1
1 569 . 8 1 1 A 54 54 LYS HA H 54 4.118 4.064 0.054 1
1 577 . 8 1 1 A 54 54 LYS C C 54 178.686 178.707 -0.021 1
1 578 . 8 1 1 A 54 54 LYS CA C 54 59.002 59.679 -0.677 1
1 579 . 8 1 1 A 54 54 LYS CB C 54 32.608 32.123 0.485 1
1 583 . 8 1 1 A 54 54 LYS N N 54 119.791 120.517 -0.726 1
1 584 . 8 1 1 A 55 55 ARG H H 55 7.978 7.989 -0.011 1
1 585 . 8 1 1 A 55 55 ARG HA H 55 4.136 3.915 0.221 1
1 592 . 8 1 1 A 55 55 ARG C C 55 177.610 177.680 -0.070 1
1 593 . 8 1 1 A 55 55 ARG CA C 55 58.183 59.205 -1.022 1
1 594 . 8 1 1 A 55 55 ARG CB C 55 30.410 29.609 0.801 1
1 597 . 8 1 1 A 55 55 ARG N N 55 119.619 120.004 -0.385 1
1 598 . 8 1 1 A 56 56 ALA H H 56 8.008 7.266 0.742 1
1 599 . 8 1 1 A 56 56 ALA HA H 56 4.196 4.342 -0.146 1
1 603 . 8 1 1 A 56 56 ALA C C 56 179.269 176.682 2.587 1
1 604 . 8 1 1 A 56 56 ALA CA C 56 53.930 51.365 2.565 1
1 605 . 8 1 1 A 56 56 ALA CB C 56 18.539 17.912 0.627 1
1 606 . 8 1 1 A 56 56 ALA N N 56 122.850 120.495 2.355 1
1 607 . 8 1 1 A 57 57 LYS H H 57 8.014 8.092 -0.078 1
1 608 . 8 1 1 A 57 57 LYS HA H 57 4.225 4.240 -0.015 1
1 617 . 8 1 1 A 57 57 LYS C C 57 177.892 176.383 1.509 1
1 618 . 8 1 1 A 57 57 LYS CA C 57 57.504 57.242 0.262 1
1 619 . 8 1 1 A 57 57 LYS CB C 57 32.646 33.070 -0.424 1
1 623 . 8 1 1 A 57 57 LYS N N 57 118.986 124.159 -5.173 1
1 624 . 8 1 1 A 58 58 ARG H H 58 8.039 8.960 -0.921 1
1 625 . 8 1 1 A 58 58 ARG HA H 58 4.229 4.664 -0.435 1
1 632 . 8 1 1 A 58 58 ARG C C 58 177.156 176.031 1.125 1
1 633 . 8 1 1 A 58 58 ARG CA C 58 57.425 56.710 0.715 1
1 634 . 8 1 1 A 58 58 ARG CB C 58 30.561 33.163 -2.602 1
1 637 . 8 1 1 A 58 58 ARG N N 58 120.747 121.989 -1.242 1
1 638 . 8 1 1 A 59 59 GLN H H 59 8.195 7.758 0.437 1
1 639 . 8 1 1 A 59 59 GLN HA H 59 4.228 4.842 -0.614 1
1 644 . 8 1 1 A 59 59 GLN CA C 59 57.412 53.708 3.704 1
1 645 . 8 1 1 A 59 59 GLN CB C 59 32.773 30.153 2.620 1
1 647 . 8 1 1 A 59 59 GLN N N 59 121.145 116.293 4.852 1
1 648 . 8 1 1 A 60 60 GLU HA H 60 4.256 4.508 -0.252 1
1 653 . 8 1 1 A 60 60 GLU CA C 60 56.093 56.981 -0.888 1
1 654 . 8 1 1 A 60 60 GLU CB C 60 29.429 30.792 -1.363 1
1 656 . 8 1 1 A 63 63 LYS HA H 63 4.263 4.951 -0.688 1
1 663 . 8 1 1 A 63 63 LYS CA C 63 56.908 53.992 2.916 1
1 664 . 8 1 1 A 63 63 LYS CB C 63 32.778 36.118 -3.340 1
1 665 . 8 1 1 A 64 64 GLN H H 64 8.261 8.485 -0.224 1
1 666 . 8 1 1 A 64 64 GLN HA H 64 4.253 4.359 -0.106 1
1 673 . 8 1 1 A 64 64 GLN C C 64 176.687 175.638 1.049 1
1 674 . 8 1 1 A 64 64 GLN CA C 64 56.780 56.091 0.689 1
1 675 . 8 1 1 A 64 64 GLN CB C 64 29.198 30.006 -0.808 1
1 677 . 8 1 1 A 64 64 GLN N N 64 120.299 120.137 0.162 1
1 679 . 8 1 1 A 65 65 LEU H H 65 8.190 8.579 -0.389 1
1 680 . 8 1 1 A 65 65 LEU HA H 65 4.306 4.420 -0.114 1
1 690 . 8 1 1 A 65 65 LEU C C 65 177.894 176.764 1.130 1
1 691 . 8 1 1 A 65 65 LEU CA C 65 55.952 55.873 0.079 1
1 692 . 8 1 1 A 65 65 LEU CB C 65 42.313 42.995 -0.682 1
1 696 . 8 1 1 A 65 65 LEU N N 65 122.723 120.889 1.834 1
1 697 . 8 1 1 A 66 66 LEU H H 66 8.165 7.391 0.774 1
1 698 . 8 1 1 A 66 66 LEU HA H 66 4.305 4.245 0.060 1
1 708 . 8 1 1 A 66 66 LEU C C 66 177.867 176.624 1.243 1
1 709 . 8 1 1 A 66 66 LEU CA C 66 55.775 55.241 0.534 1
1 710 . 8 1 1 A 66 66 LEU CB C 66 42.336 42.584 -0.248 1
1 714 . 8 1 1 A 66 66 LEU N N 66 121.812 118.275 3.537 1
1 715 . 8 1 1 A 67 67 SER H H 67 8.104 8.742 -0.638 1
1 716 . 8 1 1 A 67 67 SER CA C 67 58.896 57.484 1.412 1
1 717 . 8 1 1 A 67 67 SER CB C 67 63.674 67.854 -4.180 1
1 718 . 8 1 1 A 67 67 SER N N 67 115.632 116.829 -1.197 1
1 719 . 8 1 1 A 69 69 GLN HA H 69 4.221 4.760 -0.539 1
1 724 . 8 1 1 A 69 69 GLN CA C 69 57.547 54.570 2.977 1
1 725 . 8 1 1 A 69 69 GLN CB C 69 30.314 32.615 -2.301 1
1 727 . 8 1 1 A 70 70 LYS H H 70 8.255 8.526 -0.271 1
1 728 . 8 1 1 A 70 70 LYS HA H 70 4.220 5.199 -0.979 1
1 737 . 8 1 1 A 70 70 LYS C C 70 176.303 174.356 1.947 1
1 738 . 8 1 1 A 70 70 LYS CA C 70 56.639 53.842 2.797 1
1 739 . 8 1 1 A 70 70 LYS CB C 70 33.080 36.674 -3.594 1
1 743 . 8 1 1 A 70 70 LYS N N 70 121.417 120.635 0.782 1
1 744 . 8 1 1 A 71 71 TYR H H 71 8.142 8.627 -0.485 1
1 745 . 8 1 1 A 71 71 TYR HA H 71 4.571 5.330 -0.759 1
1 752 . 8 1 1 A 71 71 TYR C C 71 175.736 174.721 1.015 1
1 753 . 8 1 1 A 71 71 TYR CA C 71 57.768 56.452 1.316 1
1 754 . 8 1 1 A 71 71 TYR CB C 71 38.894 43.281 -4.387 1
1 759 . 8 1 1 A 71 71 TYR N N 71 120.561 117.230 3.331 1
1 760 . 8 1 1 A 72 72 ALA H H 72 8.237 8.859 -0.622 1
1 761 . 8 1 1 A 72 72 ALA HA H 72 4.292 5.417 -1.125 1
1 765 . 8 1 1 A 72 72 ALA C C 72 177.276 175.140 2.136 1
1 766 . 8 1 1 A 72 72 ALA CA C 72 52.642 50.727 1.915 1
1 767 . 8 1 1 A 72 72 ALA CB C 72 19.405 24.109 -4.704 1
1 768 . 8 1 1 A 72 72 ALA N N 72 125.192 122.298 2.894 1
1 769 . 8 1 1 A 73 73 ASP H H 73 8.220 8.760 -0.540 1
1 770 . 8 1 1 A 73 73 ASP HA H 73 4.549 5.057 -0.508 1
1 773 . 8 1 1 A 73 73 ASP C C 73 176.922 174.622 2.300 1
1 774 . 8 1 1 A 73 73 ASP CA C 73 54.682 52.932 1.750 1
1 775 . 8 1 1 A 73 73 ASP CB C 73 41.239 43.457 -2.218 1
1 776 . 8 1 1 A 73 73 ASP N N 73 119.269 115.589 3.680 1
1 777 . 8 1 1 A 74 74 GLY H H 74 8.269 8.350 -0.081 1
1 778 . 8 1 1 A 74 74 GLY HA2 H 74 3.963 4.033 -0.070 1
1 779 . 8 1 1 A 74 74 GLY HA3 H 74 3.879 4.062 -0.183 1
1 780 . 8 1 1 A 74 74 GLY C C 74 174.132 171.428 2.704 1
1 781 . 8 1 1 A 74 74 GLY CA C 74 45.551 45.703 -0.152 1
1 782 . 8 1 1 A 74 74 GLY N N 74 109.209 105.749 3.460 1
1 783 . 8 1 1 A 75 75 ALA H H 75 8.048 8.087 -0.039 1
1 784 . 8 1 1 A 75 75 ALA HA H 75 4.221 4.866 -0.645 1
1 788 . 8 1 1 A 75 75 ALA C C 75 177.507 175.237 2.270 1
1 789 . 8 1 1 A 75 75 ALA CA C 75 52.638 51.270 1.368 1
1 790 . 8 1 1 A 75 75 ALA CB C 75 19.281 23.515 -4.234 1
1 791 . 8 1 1 A 75 75 ALA N N 75 123.382 121.184 2.198 1
1 792 . 8 1 1 A 76 76 PHE H H 76 8.126 8.822 -0.696 1
1 793 . 8 1 1 A 76 76 PHE HA H 76 4.541 5.076 -0.535 1
1 798 . 8 1 1 A 76 76 PHE C C 76 175.620 174.367 1.253 1
1 799 . 8 1 1 A 76 76 PHE CA C 76 57.733 56.317 1.416 1
1 800 . 8 1 1 A 76 76 PHE CB C 76 39.429 44.083 -4.654 1
1 801 . 8 1 1 A 76 76 PHE N N 76 118.540 115.112 3.428 1
1 802 . 8 1 1 A 77 77 ALA H H 77 8.017 8.895 -0.878 1
1 803 . 8 1 1 A 77 77 ALA HA H 77 4.207 5.173 -0.966 1
1 807 . 8 1 1 A 77 77 ALA C C 77 176.990 175.106 1.884 1
1 808 . 8 1 1 A 77 77 ALA CA C 77 52.602 51.070 1.532 1
1 809 . 8 1 1 A 77 77 ALA CB C 77 19.528 24.246 -4.718 1
1 810 . 8 1 1 A 77 77 ALA N N 77 124.826 121.911 2.915 1
1 811 . 8 1 1 A 78 78 ASP H H 78 8.061 8.533 -0.472 1
1 812 . 8 1 1 A 78 78 ASP HA H 78 4.538 5.118 -0.580 1
1 815 . 8 1 1 A 78 78 ASP C C 78 175.908 173.912 1.996 1
1 816 . 8 1 1 A 78 78 ASP CA C 78 54.189 53.336 0.853 1
1 817 . 8 1 1 A 78 78 ASP CB C 78 41.242 44.639 -3.397 1
1 818 . 8 1 1 A 78 78 ASP N N 78 119.019 118.191 0.828 1
1 819 . 8 1 1 A 79 79 PHE H H 79 8.023 8.917 -0.894 1
1 820 . 8 1 1 A 79 79 PHE HA H 79 4.586 5.291 -0.705 1
1 825 . 8 1 1 A 79 79 PHE C C 79 175.551 174.255 1.296 1
1 826 . 8 1 1 A 79 79 PHE CA C 79 57.891 56.715 1.176 1
1 827 . 8 1 1 A 79 79 PHE CB C 79 39.484 44.080 -4.596 1
1 828 . 8 1 1 A 79 79 PHE N N 79 120.449 119.888 0.561 1
1 829 . 8 1 1 A 80 80 LYS H H 80 8.161 8.756 -0.595 1
1 830 . 8 1 1 A 80 80 LYS HA H 80 4.251 5.095 -0.844 1
1 836 . 8 1 1 A 80 80 LYS C C 80 176.027 173.962 2.065 1
1 837 . 8 1 1 A 80 80 LYS CA C 80 56.233 55.134 1.099 1
1 838 . 8 1 1 A 80 80 LYS CB C 80 33.084 36.531 -3.447 1
1 842 . 8 1 1 A 80 80 LYS N N 80 123.309 120.827 2.482 1
1 843 . 8 1 1 A 81 81 GLN H H 81 8.329 8.780 -0.451 1
1 844 . 8 1 1 A 81 81 GLN HA H 81 4.284 5.021 -0.737 1
1 851 . 8 1 1 A 81 81 GLN C C 81 176.009 174.160 1.849 1
1 852 . 8 1 1 A 81 81 GLN CA C 81 55.952 53.736 2.216 1
1 853 . 8 1 1 A 81 81 GLN CB C 81 29.623 33.034 -3.411 1
1 855 . 8 1 1 A 81 81 GLN N N 81 121.944 123.841 -1.897 1
1 857 . 8 1 1 A 82 82 GLU H H 82 8.542 8.684 -0.142 1
1 858 . 8 1 1 A 82 82 GLU HA H 82 4.350 5.066 -0.716 1
1 862 . 8 1 1 A 82 82 GLU C C 82 176.509 174.691 1.818 1
1 863 . 8 1 1 A 82 82 GLU CA C 82 56.675 55.679 0.996 1
1 864 . 8 1 1 A 82 82 GLU CB C 82 30.447 32.835 -2.388 1
1 866 . 8 1 1 A 82 82 GLU N N 82 122.687 121.611 1.076 1
1 867 . 8 1 1 A 83 83 SER H H 83 8.418 8.889 -0.471 1
1 868 . 8 1 1 A 83 83 SER HA H 83 4.516 4.898 -0.382 1
1 871 . 8 1 1 A 83 83 SER C C 83 174.538 173.023 1.515 1
1 872 . 8 1 1 A 83 83 SER CA C 83 58.403 57.725 0.678 1
1 873 . 8 1 1 A 83 83 SER CB C 83 64.018 67.292 -3.274 1
1 874 . 8 1 1 A 83 83 SER N N 83 116.897 120.291 -3.394 1
1 875 . 8 1 1 A 84 84 GLY H H 84 8.276 8.364 -0.088 1
1 876 . 8 1 1 A 84 84 GLY C C 84 171.814 172.080 -0.266 1
1 877 . 8 1 1 A 84 84 GLY CA C 84 44.722 45.467 -0.745 1
1 878 . 8 1 1 A 84 84 GLY N N 84 110.673 109.531 1.142 1
1 879 . 8 1 1 A 85 85 PRO HA H 85 4.497 4.682 -0.185 1
1 885 . 8 1 1 A 85 85 PRO C C 85 177.204 175.898 1.306 1
1 886 . 8 1 1 A 85 85 PRO CA C 85 63.290 62.546 0.744 1
1 887 . 8 1 1 A 85 85 PRO CB C 85 32.228 33.349 -1.121 1
1 890 . 8 1 1 A 86 86 SER H H 86 8.331 8.608 -0.277 1
1 891 . 8 1 1 A 86 86 SER HA H 86 4.339 5.249 -0.910 1
1 892 . 8 1 1 A 86 86 SER C C 86 174.935 173.209 1.726 1
1 893 . 8 1 1 A 86 86 SER CA C 86 61.769 57.417 4.352 1
1 894 . 8 1 1 A 86 86 SER CB C 86 69.836 66.531 3.305 1
1 895 . 8 1 1 A 86 86 SER N N 86 114.681 113.110 1.571 1
1 896 . 8 1 1 A 87 87 SER H H 87 8.121 8.896 -0.775 1
1 897 . 8 1 1 A 87 87 SER CA C 87 61.963 57.019 4.944 1
1 898 . 8 1 1 A 87 87 SER CB C 87 69.818 65.157 4.661 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.975 4.094 -0.119 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.975 4.095 -0.120 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.115 172.317 1.798 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.392 43.977 1.415 1
1 5 . 9 1 1 A 8 8 LEU H H 8 8.037 8.218 -0.181 1
1 6 . 9 1 1 A 8 8 LEU HA H 8 4.347 4.807 -0.460 1
1 16 . 9 1 1 A 8 8 LEU C C 8 177.426 175.502 1.924 1
1 17 . 9 1 1 A 8 8 LEU CA C 8 55.352 54.003 1.349 1
1 18 . 9 1 1 A 8 8 LEU CB C 8 42.478 43.440 -0.962 1
1 22 . 9 1 1 A 8 8 LEU N N 8 121.686 123.205 -1.519 1
1 23 . 9 1 1 A 9 9 LYS H H 9 8.309 8.611 -0.302 1
1 24 . 9 1 1 A 9 9 LYS HA H 9 4.319 4.466 -0.147 1
1 29 . 9 1 1 A 9 9 LYS CA C 9 56.195 56.310 -0.115 1
1 30 . 9 1 1 A 9 9 LYS CB C 9 32.820 32.688 0.132 1
1 34 . 9 1 1 A 9 9 LYS N N 9 122.335 126.850 -4.515 1
1 35 . 9 1 1 A 10 10 ARG HA H 10 4.306 5.026 -0.720 1
1 42 . 9 1 1 A 10 10 ARG C C 10 175.845 173.911 1.934 1
1 43 . 9 1 1 A 10 10 ARG CA C 10 56.146 54.605 1.541 1
1 44 . 9 1 1 A 10 10 ARG CB C 10 31.005 33.737 -2.732 1
1 47 . 9 1 1 A 11 11 ASP H H 11 8.293 8.618 -0.325 1
1 48 . 9 1 1 A 11 11 ASP HA H 11 4.582 4.830 -0.248 1
1 51 . 9 1 1 A 11 11 ASP C C 11 175.382 175.539 -0.157 1
1 52 . 9 1 1 A 11 11 ASP CA C 11 54.612 53.322 1.290 1
1 53 . 9 1 1 A 11 11 ASP CB C 11 41.572 41.375 0.197 1
1 54 . 9 1 1 A 11 11 ASP N N 11 120.563 124.093 -3.530 1
1 55 . 9 1 1 A 12 12 PHE H H 12 7.961 8.660 -0.699 1
1 56 . 9 1 1 A 12 12 PHE HA H 12 4.758 4.419 0.339 1
1 63 . 9 1 1 A 12 12 PHE C C 12 175.068 175.732 -0.664 1
1 64 . 9 1 1 A 12 12 PHE CA C 12 58.990 58.498 0.492 1
1 65 . 9 1 1 A 12 12 PHE CB C 12 40.037 39.184 0.853 1
1 70 . 9 1 1 A 12 12 PHE N N 12 118.808 119.456 -0.648 1
1 71 . 9 1 1 A 13 13 ILE H H 13 8.167 8.840 -0.673 1
1 72 . 9 1 1 A 13 13 ILE HA H 13 4.167 4.389 -0.222 1
1 82 . 9 1 1 A 13 13 ILE C C 13 175.712 175.796 -0.084 1
1 83 . 9 1 1 A 13 13 ILE CA C 13 60.976 60.420 0.556 1
1 84 . 9 1 1 A 13 13 ILE CB C 13 39.277 39.105 0.172 1
1 88 . 9 1 1 A 13 13 ILE N N 13 122.190 125.185 -2.995 1
1 89 . 9 1 1 A 14 14 ILE H H 14 8.287 8.503 -0.216 1
1 90 . 9 1 1 A 14 14 ILE HA H 14 4.163 4.499 -0.336 1
1 100 . 9 1 1 A 14 14 ILE C C 14 176.116 175.479 0.637 1
1 101 . 9 1 1 A 14 14 ILE CA C 14 61.142 60.891 0.251 1
1 102 . 9 1 1 A 14 14 ILE CB C 14 38.438 36.609 1.829 1
1 106 . 9 1 1 A 14 14 ILE N N 14 125.550 128.781 -3.231 1
1 107 . 9 1 1 A 15 15 LEU H H 15 8.398 8.611 -0.213 1
1 108 . 9 1 1 A 15 15 LEU HA H 15 4.397 5.014 -0.617 1
1 118 . 9 1 1 A 15 15 LEU C C 15 177.749 176.229 1.520 1
1 119 . 9 1 1 A 15 15 LEU CA C 15 55.123 52.424 2.699 1
1 120 . 9 1 1 A 15 15 LEU CB C 15 42.560 45.026 -2.466 1
1 124 . 9 1 1 A 15 15 LEU N N 15 127.408 123.863 3.545 1
1 125 . 9 1 1 A 16 16 GLY H H 16 8.347 8.421 -0.074 1
1 126 . 9 1 1 A 16 16 GLY HA2 H 16 3.964 3.986 -0.022 1
1 127 . 9 1 1 A 16 16 GLY HA3 H 16 3.964 3.988 -0.024 1
1 128 . 9 1 1 A 16 16 GLY C C 16 172.979 173.969 -0.990 1
1 129 . 9 1 1 A 16 16 GLY CA C 16 45.286 46.382 -1.096 1
1 130 . 9 1 1 A 16 16 GLY N N 16 109.546 110.826 -1.280 1
1 131 . 9 1 1 A 17 17 ASN H H 17 7.974 7.884 0.090 1
1 132 . 9 1 1 A 17 17 ASN HA H 17 4.577 5.259 -0.682 1
1 137 . 9 1 1 A 17 17 ASN C C 17 175.869 174.465 1.404 1
1 138 . 9 1 1 A 17 17 ASN CA C 17 54.665 51.453 3.212 1
1 139 . 9 1 1 A 17 17 ASN CB C 17 40.830 41.446 -0.616 1
1 140 . 9 1 1 A 17 17 ASN N N 17 124.057 118.084 5.973 1
1 142 . 9 1 1 A 18 18 GLY H H 18 8.150 9.016 -0.866 1
1 143 . 9 1 1 A 18 18 GLY HA2 H 18 4.073 4.005 0.068 1
1 144 . 9 1 1 A 18 18 GLY HA3 H 18 4.073 4.005 0.068 1
1 145 . 9 1 1 A 18 18 GLY C C 18 172.372 173.620 -1.248 1
1 146 . 9 1 1 A 18 18 GLY CA C 18 44.898 45.261 -0.363 1
1 147 . 9 1 1 A 18 18 GLY N N 18 113.988 113.422 0.566 1
1 148 . 9 1 1 A 19 19 PRO HA H 19 4.441 4.399 0.042 1
1 155 . 9 1 1 A 19 19 PRO C C 19 177.039 177.167 -0.128 1
1 156 . 9 1 1 A 19 19 PRO CA C 19 63.268 62.846 0.422 1
1 157 . 9 1 1 A 19 19 PRO CB C 19 32.159 32.633 -0.474 1
1 160 . 9 1 1 A 20 20 ARG H H 20 8.414 8.797 -0.383 1
1 161 . 9 1 1 A 20 20 ARG HA H 20 4.339 3.974 0.365 1
1 167 . 9 1 1 A 20 20 ARG C C 20 176.312 176.183 0.129 1
1 168 . 9 1 1 A 20 20 ARG CA C 20 56.111 57.025 -0.914 1
1 169 . 9 1 1 A 20 20 ARG CB C 20 30.612 28.788 1.824 1
1 172 . 9 1 1 A 20 20 ARG N N 20 120.839 120.345 0.494 1
1 173 . 9 1 1 A 21 21 LEU H H 21 8.306 7.799 0.507 1
1 174 . 9 1 1 A 21 21 LEU HA H 21 4.405 4.683 -0.278 1
1 183 . 9 1 1 A 21 21 LEU C C 21 177.403 175.923 1.480 1
1 184 . 9 1 1 A 21 21 LEU CA C 21 55.141 53.059 2.082 1
1 185 . 9 1 1 A 21 21 LEU CB C 21 42.190 42.141 0.049 1
1 189 . 9 1 1 A 21 21 LEU N N 21 123.561 116.297 7.264 1
1 190 . 9 1 1 A 22 22 GLN H H 22 8.406 8.767 -0.361 1
1 191 . 9 1 1 A 22 22 GLN HA H 22 4.336 4.622 -0.286 1
1 198 . 9 1 1 A 22 22 GLN C C 22 175.699 175.000 0.699 1
1 199 . 9 1 1 A 22 22 GLN CA C 22 56.181 55.954 0.227 1
1 200 . 9 1 1 A 22 22 GLN CB C 22 29.492 29.387 0.105 1
1 202 . 9 1 1 A 22 22 GLN N N 22 120.835 124.415 -3.580 1
1 204 . 9 1 1 A 24 24 SER HA H 24 4.451 4.471 -0.020 1
1 207 . 9 1 1 A 24 24 SER C C 24 173.514 174.845 -1.331 1
1 208 . 9 1 1 A 24 24 SER CA C 24 58.579 61.658 -3.079 1
1 209 . 9 1 1 A 24 24 SER CB C 24 63.967 63.597 0.370 1
1 210 . 9 1 1 A 25 25 THR H H 25 7.806 7.434 0.372 1
1 211 . 9 1 1 A 25 25 THR HA H 25 4.348 4.633 -0.285 1
1 216 . 9 1 1 A 25 25 THR C C 25 173.359 174.178 -0.819 1
1 217 . 9 1 1 A 25 25 THR CA C 25 61.593 62.709 -1.116 1
1 218 . 9 1 1 A 25 25 THR CB C 25 70.716 69.600 1.116 1
1 220 . 9 1 1 A 25 25 THR N N 25 114.185 112.933 1.252 1
1 221 . 9 1 1 A 26 26 TYR H H 26 8.598 9.361 -0.763 1
1 222 . 9 1 1 A 26 26 TYR HA H 26 4.670 4.921 -0.251 1
1 229 . 9 1 1 A 26 26 TYR C C 26 174.444 175.612 -1.168 1
1 230 . 9 1 1 A 26 26 TYR CA C 26 56.798 57.470 -0.672 1
1 231 . 9 1 1 A 26 26 TYR CB C 26 39.717 39.761 -0.044 1
1 236 . 9 1 1 A 26 26 TYR N N 26 121.326 122.369 -1.043 1
1 237 . 9 1 1 A 27 27 GLN H H 27 8.528 8.691 -0.163 1
1 238 . 9 1 1 A 27 27 GLN HA H 27 4.670 4.976 -0.306 1
1 245 . 9 1 1 A 27 27 GLN C C 27 175.055 175.226 -0.171 1
1 246 . 9 1 1 A 27 27 GLN CA C 27 54.718 54.844 -0.126 1
1 247 . 9 1 1 A 27 27 GLN CB C 27 30.938 29.226 1.712 1
1 249 . 9 1 1 A 27 27 GLN N N 27 123.045 122.148 0.897 1
1 251 . 9 1 1 A 28 28 CYS H H 28 8.682 8.401 0.281 1
1 252 . 9 1 1 A 28 28 CYS HA H 28 4.331 4.492 -0.161 1
1 255 . 9 1 1 A 28 28 CYS C C 28 176.610 176.600 0.010 1
1 256 . 9 1 1 A 28 28 CYS CA C 28 60.394 60.125 0.269 1
1 257 . 9 1 1 A 28 28 CYS CB C 28 29.850 28.491 1.359 1
1 258 . 9 1 1 A 28 28 CYS N N 28 129.276 125.364 3.912 1
1 259 . 9 1 1 A 29 29 LYS H H 29 8.454 8.521 -0.067 1
1 260 . 9 1 1 A 29 29 LYS HA H 29 4.257 4.335 -0.078 1
1 269 . 9 1 1 A 29 29 LYS C C 29 176.581 175.597 0.984 1
1 270 . 9 1 1 A 29 29 LYS CA C 29 57.584 56.852 0.732 1
1 271 . 9 1 1 A 29 29 LYS CB C 29 32.145 32.289 -0.144 1
1 275 . 9 1 1 A 29 29 LYS N N 29 127.445 123.027 4.418 1
1 276 . 9 1 1 A 30 30 HIS H H 30 9.625 8.056 1.569 1
1 277 . 9 1 1 A 30 30 HIS HA H 30 4.608 4.688 -0.080 1
1 281 . 9 1 1 A 30 30 HIS C C 30 175.524 176.379 -0.855 1
1 282 . 9 1 1 A 30 30 HIS CA C 30 56.956 56.935 0.021 1
1 283 . 9 1 1 A 30 30 HIS CB C 30 30.732 31.671 -0.939 1
1 285 . 9 1 1 A 30 30 HIS N N 30 121.657 116.600 5.057 1
1 286 . 9 1 1 A 31 31 CYS H H 31 8.086 8.151 -0.065 1
1 287 . 9 1 1 A 31 31 CYS HA H 31 5.078 4.566 0.512 1
1 290 . 9 1 1 A 31 31 CYS C C 31 173.769 174.301 -0.532 1
1 291 . 9 1 1 A 31 31 CYS CA C 31 58.349 58.219 0.130 1
1 292 . 9 1 1 A 31 31 CYS CB C 31 31.268 29.659 1.609 1
1 293 . 9 1 1 A 31 31 CYS N N 31 118.457 113.165 5.292 1
1 294 . 9 1 1 A 32 32 ASP H H 32 8.135 7.957 0.178 1
1 295 . 9 1 1 A 32 32 ASP HA H 32 4.637 4.365 0.272 1
1 298 . 9 1 1 A 32 32 ASP C C 32 176.540 174.701 1.839 1
1 299 . 9 1 1 A 32 32 ASP CA C 32 55.687 55.568 0.119 1
1 300 . 9 1 1 A 32 32 ASP CB C 32 40.418 39.069 1.349 1
1 301 . 9 1 1 A 32 32 ASP N N 32 116.820 118.192 -1.372 1
1 302 . 9 1 1 A 33 33 SER H H 33 8.667 7.919 0.748 1
1 303 . 9 1 1 A 33 33 SER HA H 33 4.267 4.704 -0.437 1
1 306 . 9 1 1 A 33 33 SER C C 33 172.462 173.068 -0.606 1
1 307 . 9 1 1 A 33 33 SER CA C 33 61.452 56.258 5.194 1
1 308 . 9 1 1 A 33 33 SER CB C 33 63.893 65.262 -1.369 1
1 309 . 9 1 1 A 33 33 SER N N 33 119.488 112.366 7.122 1
1 310 . 9 1 1 A 34 34 LYS H H 34 8.389 8.323 0.066 1
1 311 . 9 1 1 A 34 34 LYS HA H 34 4.747 5.557 -0.810 1
1 320 . 9 1 1 A 34 34 LYS C C 34 175.517 175.164 0.353 1
1 321 . 9 1 1 A 34 34 LYS CA C 34 55.476 54.738 0.738 1
1 322 . 9 1 1 A 34 34 LYS CB C 34 33.526 35.591 -2.065 1
1 326 . 9 1 1 A 34 34 LYS N N 34 122.954 121.218 1.736 1
1 327 . 9 1 1 A 35 35 LEU H H 35 8.825 8.710 0.115 1
1 328 . 9 1 1 A 35 35 LEU HA H 35 4.847 4.864 -0.017 1
1 338 . 9 1 1 A 35 35 LEU C C 35 177.476 177.114 0.362 1
1 339 . 9 1 1 A 35 35 LEU CA C 35 52.673 53.142 -0.469 1
1 340 . 9 1 1 A 35 35 LEU CB C 35 42.115 44.768 -2.653 1
1 344 . 9 1 1 A 35 35 LEU N N 35 126.489 125.961 0.528 1
1 345 . 9 1 1 A 36 36 GLN H H 36 8.883 8.813 0.070 1
1 346 . 9 1 1 A 36 36 GLN HA H 36 4.565 4.104 0.461 1
1 353 . 9 1 1 A 36 36 GLN C C 36 175.227 175.045 0.182 1
1 354 . 9 1 1 A 36 36 GLN CA C 36 56.763 58.316 -1.553 1
1 355 . 9 1 1 A 36 36 GLN CB C 36 30.225 29.486 0.739 1
1 357 . 9 1 1 A 36 36 GLN N N 36 116.410 123.303 -6.893 1
1 359 . 9 1 1 A 37 37 SER H H 37 7.345 7.668 -0.323 1
1 360 . 9 1 1 A 37 37 SER HA H 37 4.569 4.409 0.160 1
1 363 . 9 1 1 A 37 37 SER C C 37 179.414 173.486 5.928 1
1 364 . 9 1 1 A 37 37 SER CA C 37 56.780 57.092 -0.312 1
1 365 . 9 1 1 A 37 37 SER CB C 37 66.444 66.919 -0.475 1
1 366 . 9 1 1 A 37 37 SER N N 37 110.125 110.949 -0.824 1
1 367 . 9 1 1 A 38 38 THR H H 38 8.099 8.306 -0.207 1
1 368 . 9 1 1 A 38 38 THR HA H 38 3.627 3.473 0.154 1
1 373 . 9 1 1 A 38 38 THR CA C 38 65.831 66.158 -0.327 1
1 374 . 9 1 1 A 38 38 THR CB C 38 68.118 68.626 -0.508 1
1 376 . 9 1 1 A 38 38 THR N N 38 121.696 116.402 5.294 1
1 377 . 9 1 1 A 39 39 ALA HA H 39 4.155 4.006 0.149 1
1 381 . 9 1 1 A 39 39 ALA C C 39 180.623 179.284 1.339 1
1 382 . 9 1 1 A 39 39 ALA CA C 39 55.406 55.316 0.090 1
1 383 . 9 1 1 A 39 39 ALA CB C 39 18.098 18.618 -0.520 1
1 384 . 9 1 1 A 40 40 GLU H H 40 7.881 7.834 0.047 1
1 385 . 9 1 1 A 40 40 GLU HA H 40 4.114 4.144 -0.030 1
1 390 . 9 1 1 A 40 40 GLU C C 40 179.352 178.827 0.525 1
1 391 . 9 1 1 A 40 40 GLU CA C 40 58.914 58.996 -0.082 1
1 392 . 9 1 1 A 40 40 GLU CB C 40 30.822 29.721 1.101 1
1 394 . 9 1 1 A 40 40 GLU N N 40 118.475 117.767 0.708 1
1 395 . 9 1 1 A 41 41 LEU H H 41 8.096 7.949 0.147 1
1 396 . 9 1 1 A 41 41 LEU HA H 41 4.115 4.066 0.049 1
1 406 . 9 1 1 A 41 41 LEU C C 41 177.620 178.781 -1.161 1
1 407 . 9 1 1 A 41 41 LEU CA C 41 58.841 57.904 0.937 1
1 408 . 9 1 1 A 41 41 LEU CB C 41 41.442 41.690 -0.248 1
1 412 . 9 1 1 A 41 41 LEU N N 41 121.715 122.354 -0.639 1
1 413 . 9 1 1 A 42 42 THR H H 42 8.599 8.327 0.272 1
1 414 . 9 1 1 A 42 42 THR HA H 42 3.860 3.969 -0.109 1
1 419 . 9 1 1 A 42 42 THR C C 42 176.761 176.230 0.531 1
1 420 . 9 1 1 A 42 42 THR CA C 42 67.345 65.912 1.433 1
1 421 . 9 1 1 A 42 42 THR CB C 42 68.758 68.503 0.255 1
1 423 . 9 1 1 A 42 42 THR N N 42 115.801 115.199 0.602 1
1 424 . 9 1 1 A 43 43 SER H H 43 7.833 7.985 -0.152 1
1 425 . 9 1 1 A 43 43 SER HA H 43 4.251 4.319 -0.068 1
1 428 . 9 1 1 A 43 43 SER C C 43 176.836 175.950 0.886 1
1 429 . 9 1 1 A 43 43 SER CA C 43 61.646 61.678 -0.032 1
1 430 . 9 1 1 A 43 43 SER CB C 43 62.750 63.749 -0.999 1
1 431 . 9 1 1 A 43 43 SER N N 43 115.657 117.698 -2.041 1
1 432 . 9 1 1 A 44 44 HIS H H 44 8.415 8.339 0.076 1
1 433 . 9 1 1 A 44 44 HIS HA H 44 4.182 4.191 -0.009 1
1 438 . 9 1 1 A 44 44 HIS C C 44 177.125 177.289 -0.164 1
1 439 . 9 1 1 A 44 44 HIS CA C 44 60.094 59.983 0.111 1
1 440 . 9 1 1 A 44 44 HIS CB C 44 28.846 30.105 -1.259 1
1 443 . 9 1 1 A 44 44 HIS N N 44 122.271 122.251 0.020 1
1 444 . 9 1 1 A 45 45 LEU H H 45 8.854 9.054 -0.200 1
1 445 . 9 1 1 A 45 45 LEU HA H 45 4.100 3.849 0.251 1
1 455 . 9 1 1 A 45 45 LEU C C 45 179.448 178.935 0.513 1
1 456 . 9 1 1 A 45 45 LEU CA C 45 58.297 58.082 0.215 1
1 457 . 9 1 1 A 45 45 LEU CB C 45 41.666 41.345 0.321 1
1 461 . 9 1 1 A 45 45 LEU N N 45 118.289 119.829 -1.540 1
1 462 . 9 1 1 A 46 46 ASN H H 46 7.730 8.454 -0.724 1
1 463 . 9 1 1 A 46 46 ASN HA H 46 4.502 4.454 0.048 1
1 468 . 9 1 1 A 46 46 ASN C C 46 177.759 177.951 -0.192 1
1 469 . 9 1 1 A 46 46 ASN CA C 46 56.163 56.505 -0.342 1
1 470 . 9 1 1 A 46 46 ASN CB C 46 38.069 37.939 0.130 1
1 471 . 9 1 1 A 46 46 ASN N N 46 117.155 117.018 0.137 1
1 473 . 9 1 1 A 47 47 ILE H H 47 7.670 7.681 -0.011 1
1 474 . 9 1 1 A 47 47 ILE HA H 47 3.787 3.910 -0.123 1
1 484 . 9 1 1 A 47 47 ILE C C 47 178.447 178.137 0.310 1
1 485 . 9 1 1 A 47 47 ILE CA C 47 64.273 65.167 -0.894 1
1 486 . 9 1 1 A 47 47 ILE CB C 47 37.214 37.384 -0.170 1
1 490 . 9 1 1 A 47 47 ILE N N 47 119.392 119.693 -0.301 1
1 491 . 9 1 1 A 48 48 HIS H H 48 6.999 7.935 -0.936 1
1 492 . 9 1 1 A 48 48 HIS HA H 48 4.437 4.189 0.248 1
1 497 . 9 1 1 A 48 48 HIS C C 48 175.932 177.862 -1.930 1
1 498 . 9 1 1 A 48 48 HIS CA C 48 56.855 59.875 -3.020 1
1 499 . 9 1 1 A 48 48 HIS CB C 48 27.971 29.490 -1.519 1
1 502 . 9 1 1 A 48 48 HIS N N 48 116.931 119.262 -2.331 1
1 503 . 9 1 1 A 49 49 ASN H H 49 8.059 8.154 -0.095 1
1 504 . 9 1 1 A 49 49 ASN HA H 49 4.555 4.278 0.277 1
1 509 . 9 1 1 A 49 49 ASN C C 49 177.139 177.792 -0.653 1
1 510 . 9 1 1 A 49 49 ASN CA C 49 55.552 56.400 -0.848 1
1 511 . 9 1 1 A 49 49 ASN CB C 49 38.495 38.010 0.485 1
1 512 . 9 1 1 A 49 49 ASN N N 49 118.208 116.926 1.282 1
1 514 . 9 1 1 A 50 50 GLU H H 50 8.336 8.676 -0.340 1
1 515 . 9 1 1 A 50 50 GLU HA H 50 4.090 4.122 -0.032 1
1 520 . 9 1 1 A 50 50 GLU C C 50 178.637 178.632 0.005 1
1 521 . 9 1 1 A 50 50 GLU CA C 50 59.246 59.525 -0.279 1
1 522 . 9 1 1 A 50 50 GLU CB C 50 29.582 29.276 0.306 1
1 524 . 9 1 1 A 50 50 GLU N N 50 121.316 117.603 3.713 1
1 525 . 9 1 1 A 51 51 GLU H H 51 7.932 7.993 -0.061 1
1 526 . 9 1 1 A 51 51 GLU HA H 51 4.093 4.041 0.052 1
1 531 . 9 1 1 A 51 51 GLU C C 51 179.088 178.835 0.253 1
1 532 . 9 1 1 A 51 51 GLU CA C 51 59.037 59.165 -0.128 1
1 533 . 9 1 1 A 51 51 GLU CB C 51 29.183 29.402 -0.219 1
1 535 . 9 1 1 A 51 51 GLU N N 51 120.058 119.956 0.102 1
1 536 . 9 1 1 A 52 52 PHE H H 52 8.345 8.196 0.149 1
1 537 . 9 1 1 A 52 52 PHE HA H 52 4.411 4.188 0.223 1
1 545 . 9 1 1 A 52 52 PHE C C 52 178.654 177.530 1.124 1
1 546 . 9 1 1 A 52 52 PHE CA C 52 59.523 62.082 -2.559 1
1 547 . 9 1 1 A 52 52 PHE CB C 52 38.261 39.220 -0.959 1
1 553 . 9 1 1 A 52 52 PHE N N 52 119.698 121.327 -1.629 1
1 554 . 9 1 1 A 53 53 GLN H H 53 8.197 7.948 0.249 1
1 555 . 9 1 1 A 53 53 GLN HA H 53 4.153 3.634 0.519 1
1 562 . 9 1 1 A 53 53 GLN C C 53 178.059 178.029 0.030 1
1 563 . 9 1 1 A 53 53 GLN CA C 53 58.120 59.429 -1.309 1
1 564 . 9 1 1 A 53 53 GLN CB C 53 28.591 28.802 -0.211 1
1 566 . 9 1 1 A 53 53 GLN N N 53 118.967 118.292 0.675 1
1 568 . 9 1 1 A 54 54 LYS H H 54 8.008 7.769 0.239 1
1 569 . 9 1 1 A 54 54 LYS HA H 54 4.118 3.889 0.229 1
1 577 . 9 1 1 A 54 54 LYS C C 54 178.686 178.205 0.481 1
1 578 . 9 1 1 A 54 54 LYS CA C 54 59.002 59.497 -0.495 1
1 579 . 9 1 1 A 54 54 LYS CB C 54 32.608 32.245 0.363 1
1 583 . 9 1 1 A 54 54 LYS N N 54 119.791 120.715 -0.924 1
1 584 . 9 1 1 A 55 55 ARG H H 55 7.978 8.477 -0.499 1
1 585 . 9 1 1 A 55 55 ARG HA H 55 4.136 4.003 0.133 1
1 592 . 9 1 1 A 55 55 ARG C C 55 177.610 177.612 -0.002 1
1 593 . 9 1 1 A 55 55 ARG CA C 55 58.183 59.578 -1.395 1
1 594 . 9 1 1 A 55 55 ARG CB C 55 30.410 29.879 0.531 1
1 597 . 9 1 1 A 55 55 ARG N N 55 119.619 119.348 0.271 1
1 598 . 9 1 1 A 56 56 ALA H H 56 8.008 7.164 0.844 1
1 599 . 9 1 1 A 56 56 ALA HA H 56 4.196 4.308 -0.112 1
1 603 . 9 1 1 A 56 56 ALA C C 56 179.269 175.745 3.524 1
1 604 . 9 1 1 A 56 56 ALA CA C 56 53.930 51.606 2.324 1
1 605 . 9 1 1 A 56 56 ALA CB C 56 18.539 17.374 1.165 1
1 606 . 9 1 1 A 56 56 ALA N N 56 122.850 118.846 4.004 1
1 607 . 9 1 1 A 57 57 LYS H H 57 8.014 8.371 -0.357 1
1 608 . 9 1 1 A 57 57 LYS HA H 57 4.225 5.189 -0.964 1
1 617 . 9 1 1 A 57 57 LYS C C 57 177.892 174.411 3.481 1
1 618 . 9 1 1 A 57 57 LYS CA C 57 57.504 54.832 2.672 1
1 619 . 9 1 1 A 57 57 LYS CB C 57 32.646 36.394 -3.748 1
1 623 . 9 1 1 A 57 57 LYS N N 57 118.986 117.283 1.703 1
1 624 . 9 1 1 A 58 58 ARG H H 58 8.039 8.775 -0.736 1
1 625 . 9 1 1 A 58 58 ARG HA H 58 4.229 4.559 -0.330 1
1 632 . 9 1 1 A 58 58 ARG C C 58 177.156 174.689 2.467 1
1 633 . 9 1 1 A 58 58 ARG CA C 58 57.425 55.607 1.818 1
1 634 . 9 1 1 A 58 58 ARG CB C 58 30.561 33.422 -2.861 1
1 637 . 9 1 1 A 58 58 ARG N N 58 120.747 120.154 0.593 1
1 638 . 9 1 1 A 59 59 GLN H H 59 8.195 8.734 -0.539 1
1 639 . 9 1 1 A 59 59 GLN HA H 59 4.228 3.866 0.362 1
1 644 . 9 1 1 A 59 59 GLN CA C 59 57.412 56.790 0.622 1
1 645 . 9 1 1 A 59 59 GLN CB C 59 32.773 26.558 6.215 1
1 647 . 9 1 1 A 59 59 GLN N N 59 121.145 120.836 0.309 1
1 648 . 9 1 1 A 60 60 GLU HA H 60 4.256 4.601 -0.345 1
1 653 . 9 1 1 A 60 60 GLU CA C 60 56.093 56.419 -0.326 1
1 654 . 9 1 1 A 60 60 GLU CB C 60 29.429 31.651 -2.222 1
1 656 . 9 1 1 A 63 63 LYS HA H 63 4.263 4.827 -0.564 1
1 663 . 9 1 1 A 63 63 LYS CA C 63 56.908 54.924 1.984 1
1 664 . 9 1 1 A 63 63 LYS CB C 63 32.778 36.930 -4.152 1
1 665 . 9 1 1 A 64 64 GLN H H 64 8.261 8.642 -0.381 1
1 666 . 9 1 1 A 64 64 GLN HA H 64 4.253 4.703 -0.450 1
1 673 . 9 1 1 A 64 64 GLN C C 64 176.687 175.230 1.457 1
1 674 . 9 1 1 A 64 64 GLN CA C 64 56.780 54.109 2.671 1
1 675 . 9 1 1 A 64 64 GLN CB C 64 29.198 30.273 -1.075 1
1 677 . 9 1 1 A 64 64 GLN N N 64 120.299 118.875 1.424 1
1 679 . 9 1 1 A 65 65 LEU H H 65 8.190 8.467 -0.277 1
1 680 . 9 1 1 A 65 65 LEU HA H 65 4.306 4.534 -0.228 1
1 690 . 9 1 1 A 65 65 LEU C C 65 177.894 176.387 1.507 1
1 691 . 9 1 1 A 65 65 LEU CA C 65 55.952 54.086 1.866 1
1 692 . 9 1 1 A 65 65 LEU CB C 65 42.313 42.595 -0.282 1
1 696 . 9 1 1 A 65 65 LEU N N 65 122.723 121.420 1.303 1
1 697 . 9 1 1 A 66 66 LEU H H 66 8.165 8.278 -0.113 1
1 698 . 9 1 1 A 66 66 LEU HA H 66 4.305 5.083 -0.778 1
1 708 . 9 1 1 A 66 66 LEU C C 66 177.867 176.877 0.990 1
1 709 . 9 1 1 A 66 66 LEU CA C 66 55.775 53.365 2.410 1
1 710 . 9 1 1 A 66 66 LEU CB C 66 42.336 44.993 -2.657 1
1 714 . 9 1 1 A 66 66 LEU N N 66 121.812 122.453 -0.641 1
1 715 . 9 1 1 A 67 67 SER H H 67 8.104 8.835 -0.731 1
1 716 . 9 1 1 A 67 67 SER CA C 67 58.896 56.585 2.311 1
1 717 . 9 1 1 A 67 67 SER CB C 67 63.674 65.878 -2.204 1
1 718 . 9 1 1 A 67 67 SER N N 67 115.632 114.468 1.164 1
1 719 . 9 1 1 A 69 69 GLN HA H 69 4.221 5.091 -0.870 1
1 724 . 9 1 1 A 69 69 GLN CA C 69 57.547 54.370 3.177 1
1 725 . 9 1 1 A 69 69 GLN CB C 69 30.314 32.700 -2.386 1
1 727 . 9 1 1 A 70 70 LYS H H 70 8.255 8.676 -0.421 1
1 728 . 9 1 1 A 70 70 LYS HA H 70 4.220 5.420 -1.200 1
1 737 . 9 1 1 A 70 70 LYS C C 70 176.303 174.596 1.707 1
1 738 . 9 1 1 A 70 70 LYS CA C 70 56.639 54.522 2.117 1
1 739 . 9 1 1 A 70 70 LYS CB C 70 33.080 36.488 -3.408 1
1 743 . 9 1 1 A 70 70 LYS N N 70 121.417 123.761 -2.344 1
1 744 . 9 1 1 A 71 71 TYR H H 71 8.142 8.969 -0.827 1
1 745 . 9 1 1 A 71 71 TYR HA H 71 4.571 5.272 -0.701 1
1 752 . 9 1 1 A 71 71 TYR C C 71 175.736 172.698 3.038 1
1 753 . 9 1 1 A 71 71 TYR CA C 71 57.768 56.252 1.516 1
1 754 . 9 1 1 A 71 71 TYR CB C 71 38.894 40.639 -1.745 1
1 759 . 9 1 1 A 71 71 TYR N N 71 120.561 120.193 0.368 1
1 760 . 9 1 1 A 72 72 ALA H H 72 8.237 8.846 -0.609 1
1 761 . 9 1 1 A 72 72 ALA HA H 72 4.292 5.245 -0.953 1
1 765 . 9 1 1 A 72 72 ALA C C 72 177.276 175.606 1.670 1
1 766 . 9 1 1 A 72 72 ALA CA C 72 52.642 50.633 2.009 1
1 767 . 9 1 1 A 72 72 ALA CB C 72 19.405 23.861 -4.456 1
1 768 . 9 1 1 A 72 72 ALA N N 72 125.192 122.164 3.028 1
1 769 . 9 1 1 A 73 73 ASP H H 73 8.220 8.975 -0.755 1
1 770 . 9 1 1 A 73 73 ASP HA H 73 4.549 5.706 -1.157 1
1 773 . 9 1 1 A 73 73 ASP C C 73 176.922 174.674 2.248 1
1 774 . 9 1 1 A 73 73 ASP CA C 73 54.682 52.307 2.375 1
1 775 . 9 1 1 A 73 73 ASP CB C 73 41.239 45.010 -3.771 1
1 776 . 9 1 1 A 73 73 ASP N N 73 119.269 117.162 2.107 1
1 777 . 9 1 1 A 74 74 GLY H H 74 8.269 8.372 -0.103 1
1 778 . 9 1 1 A 74 74 GLY HA2 H 74 3.963 4.407 -0.444 1
1 779 . 9 1 1 A 74 74 GLY HA3 H 74 3.879 4.439 -0.560 1
1 780 . 9 1 1 A 74 74 GLY C C 74 174.132 172.792 1.340 1
1 781 . 9 1 1 A 74 74 GLY CA C 74 45.551 45.273 0.278 1
1 782 . 9 1 1 A 74 74 GLY N N 74 109.209 106.293 2.916 1
1 783 . 9 1 1 A 75 75 ALA H H 75 8.048 8.572 -0.524 1
1 784 . 9 1 1 A 75 75 ALA HA H 75 4.221 5.005 -0.784 1
1 788 . 9 1 1 A 75 75 ALA C C 75 177.507 175.442 2.065 1
1 789 . 9 1 1 A 75 75 ALA CA C 75 52.638 50.724 1.914 1
1 790 . 9 1 1 A 75 75 ALA CB C 75 19.281 23.750 -4.469 1
1 791 . 9 1 1 A 75 75 ALA N N 75 123.382 121.645 1.737 1
1 792 . 9 1 1 A 76 76 PHE H H 76 8.126 8.324 -0.198 1
1 793 . 9 1 1 A 76 76 PHE HA H 76 4.541 5.416 -0.875 1
1 798 . 9 1 1 A 76 76 PHE C C 76 175.620 172.866 2.754 1
1 799 . 9 1 1 A 76 76 PHE CA C 76 57.733 55.794 1.939 1
1 800 . 9 1 1 A 76 76 PHE CB C 76 39.429 41.982 -2.553 1
1 801 . 9 1 1 A 76 76 PHE N N 76 118.540 115.066 3.474 1
1 802 . 9 1 1 A 77 77 ALA H H 77 8.017 8.850 -0.833 1
1 803 . 9 1 1 A 77 77 ALA HA H 77 4.207 4.993 -0.786 1
1 807 . 9 1 1 A 77 77 ALA C C 77 176.990 175.742 1.248 1
1 808 . 9 1 1 A 77 77 ALA CA C 77 52.602 51.484 1.118 1
1 809 . 9 1 1 A 77 77 ALA CB C 77 19.528 23.660 -4.132 1
1 810 . 9 1 1 A 77 77 ALA N N 77 124.826 121.193 3.633 1
1 811 . 9 1 1 A 78 78 ASP H H 78 8.061 8.729 -0.668 1
1 812 . 9 1 1 A 78 78 ASP HA H 78 4.538 5.435 -0.897 1
1 815 . 9 1 1 A 78 78 ASP C C 78 175.908 173.562 2.346 1
1 816 . 9 1 1 A 78 78 ASP CA C 78 54.189 52.664 1.525 1
1 817 . 9 1 1 A 78 78 ASP CB C 78 41.242 44.621 -3.379 1
1 818 . 9 1 1 A 78 78 ASP N N 78 119.019 117.240 1.779 1
1 819 . 9 1 1 A 79 79 PHE H H 79 8.023 8.918 -0.895 1
1 820 . 9 1 1 A 79 79 PHE HA H 79 4.586 5.057 -0.471 1
1 825 . 9 1 1 A 79 79 PHE C C 79 175.551 174.824 0.727 1
1 826 . 9 1 1 A 79 79 PHE CA C 79 57.891 56.585 1.306 1
1 827 . 9 1 1 A 79 79 PHE CB C 79 39.484 43.682 -4.198 1
1 828 . 9 1 1 A 79 79 PHE N N 79 120.449 115.802 4.647 1
1 829 . 9 1 1 A 80 80 LYS H H 80 8.161 8.769 -0.608 1
1 830 . 9 1 1 A 80 80 LYS HA H 80 4.251 4.382 -0.131 1
1 836 . 9 1 1 A 80 80 LYS C C 80 176.027 177.351 -1.324 1
1 837 . 9 1 1 A 80 80 LYS CA C 80 56.233 55.949 0.284 1
1 838 . 9 1 1 A 80 80 LYS CB C 80 33.084 33.793 -0.709 1
1 842 . 9 1 1 A 80 80 LYS N N 80 123.309 122.345 0.964 1
1 843 . 9 1 1 A 81 81 GLN H H 81 8.329 8.785 -0.456 1
1 844 . 9 1 1 A 81 81 GLN HA H 81 4.284 4.063 0.221 1
1 851 . 9 1 1 A 81 81 GLN C C 81 176.009 176.309 -0.300 1
1 852 . 9 1 1 A 81 81 GLN CA C 81 55.952 57.856 -1.904 1
1 853 . 9 1 1 A 81 81 GLN CB C 81 29.623 29.110 0.513 1
1 855 . 9 1 1 A 81 81 GLN N N 81 121.944 122.944 -1.000 1
1 857 . 9 1 1 A 82 82 GLU H H 82 8.542 8.183 0.359 1
1 858 . 9 1 1 A 82 82 GLU HA H 82 4.350 3.971 0.379 1
1 862 . 9 1 1 A 82 82 GLU C C 82 176.509 176.341 0.168 1
1 863 . 9 1 1 A 82 82 GLU CA C 82 56.675 57.408 -0.733 1
1 864 . 9 1 1 A 82 82 GLU CB C 82 30.447 28.194 2.253 1
1 866 . 9 1 1 A 82 82 GLU N N 82 122.687 119.885 2.802 1
1 867 . 9 1 1 A 83 83 SER H H 83 8.418 7.735 0.683 1
1 868 . 9 1 1 A 83 83 SER HA H 83 4.516 4.399 0.117 1
1 871 . 9 1 1 A 83 83 SER C C 83 174.538 174.234 0.304 1
1 872 . 9 1 1 A 83 83 SER CA C 83 58.403 59.248 -0.845 1
1 873 . 9 1 1 A 83 83 SER CB C 83 64.018 63.984 0.034 1
1 874 . 9 1 1 A 83 83 SER N N 83 116.897 115.650 1.247 1
1 875 . 9 1 1 A 84 84 GLY H H 84 8.276 8.330 -0.054 1
1 876 . 9 1 1 A 84 84 GLY C C 84 171.814 171.552 0.262 1
1 877 . 9 1 1 A 84 84 GLY CA C 84 44.722 45.624 -0.902 1
1 878 . 9 1 1 A 84 84 GLY N N 84 110.673 111.824 -1.151 1
1 879 . 9 1 1 A 85 85 PRO HA H 85 4.497 4.736 -0.239 1
1 885 . 9 1 1 A 85 85 PRO C C 85 177.204 175.488 1.716 1
1 886 . 9 1 1 A 85 85 PRO CA C 85 63.290 62.816 0.474 1
1 887 . 9 1 1 A 85 85 PRO CB C 85 32.228 33.431 -1.203 1
1 890 . 9 1 1 A 86 86 SER H H 86 8.331 8.479 -0.148 1
1 891 . 9 1 1 A 86 86 SER HA H 86 4.339 4.988 -0.649 1
1 892 . 9 1 1 A 86 86 SER C C 86 174.935 172.596 2.339 1
1 893 . 9 1 1 A 86 86 SER CA C 86 61.769 57.882 3.887 1
1 894 . 9 1 1 A 86 86 SER CB C 86 69.836 66.747 3.089 1
1 895 . 9 1 1 A 86 86 SER N N 86 114.681 115.826 -1.145 1
1 896 . 9 1 1 A 87 87 SER H H 87 8.121 8.754 -0.633 1
1 897 . 9 1 1 A 87 87 SER CA C 87 61.963 57.541 4.422 1
1 898 . 9 1 1 A 87 87 SER CB C 87 69.818 66.172 3.646 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.975 4.137 -0.162 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.975 4.138 -0.163 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.115 171.759 2.356 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.392 45.728 -0.336 1
1 5 . 10 1 1 A 8 8 LEU H H 8 8.037 8.587 -0.550 1
1 6 . 10 1 1 A 8 8 LEU HA H 8 4.347 4.852 -0.505 1
1 16 . 10 1 1 A 8 8 LEU C C 8 177.426 174.711 2.715 1
1 17 . 10 1 1 A 8 8 LEU CA C 8 55.352 54.550 0.802 1
1 18 . 10 1 1 A 8 8 LEU CB C 8 42.478 45.468 -2.990 1
1 22 . 10 1 1 A 8 8 LEU N N 8 121.686 121.484 0.202 1
1 23 . 10 1 1 A 9 9 LYS H H 9 8.309 8.618 -0.309 1
1 24 . 10 1 1 A 9 9 LYS HA H 9 4.319 4.754 -0.435 1
1 29 . 10 1 1 A 9 9 LYS CA C 9 56.195 55.826 0.369 1
1 30 . 10 1 1 A 9 9 LYS CB C 9 32.820 36.787 -3.967 1
1 34 . 10 1 1 A 9 9 LYS N N 9 122.335 125.113 -2.778 1
1 35 . 10 1 1 A 10 10 ARG HA H 10 4.306 4.905 -0.599 1
1 42 . 10 1 1 A 10 10 ARG C C 10 175.845 174.575 1.270 1
1 43 . 10 1 1 A 10 10 ARG CA C 10 56.146 54.004 2.142 1
1 44 . 10 1 1 A 10 10 ARG CB C 10 31.005 33.822 -2.817 1
1 47 . 10 1 1 A 11 11 ASP H H 11 8.293 8.680 -0.387 1
1 48 . 10 1 1 A 11 11 ASP HA H 11 4.582 5.354 -0.772 1
1 51 . 10 1 1 A 11 11 ASP C C 11 175.382 175.362 0.020 1
1 52 . 10 1 1 A 11 11 ASP CA C 11 54.612 52.728 1.884 1
1 53 . 10 1 1 A 11 11 ASP CB C 11 41.572 44.714 -3.142 1
1 54 . 10 1 1 A 11 11 ASP N N 11 120.563 119.123 1.440 1
1 55 . 10 1 1 A 12 12 PHE H H 12 7.961 9.080 -1.119 1
1 56 . 10 1 1 A 12 12 PHE HA H 12 4.758 5.731 -0.973 1
1 63 . 10 1 1 A 12 12 PHE C C 12 175.068 174.118 0.950 1
1 64 . 10 1 1 A 12 12 PHE CA C 12 58.990 55.020 3.970 1
1 65 . 10 1 1 A 12 12 PHE CB C 12 40.037 42.660 -2.623 1
1 70 . 10 1 1 A 12 12 PHE N N 12 118.808 116.859 1.949 1
1 71 . 10 1 1 A 13 13 ILE H H 13 8.167 8.788 -0.621 1
1 72 . 10 1 1 A 13 13 ILE HA H 13 4.167 4.578 -0.411 1
1 82 . 10 1 1 A 13 13 ILE C C 13 175.712 174.546 1.166 1
1 83 . 10 1 1 A 13 13 ILE CA C 13 60.976 59.522 1.454 1
1 84 . 10 1 1 A 13 13 ILE CB C 13 39.277 39.785 -0.508 1
1 88 . 10 1 1 A 13 13 ILE N N 13 122.190 116.535 5.655 1
1 89 . 10 1 1 A 14 14 ILE H H 14 8.287 8.277 0.010 1
1 90 . 10 1 1 A 14 14 ILE HA H 14 4.163 4.705 -0.542 1
1 100 . 10 1 1 A 14 14 ILE C C 14 176.116 174.544 1.572 1
1 101 . 10 1 1 A 14 14 ILE CA C 14 61.142 60.532 0.610 1
1 102 . 10 1 1 A 14 14 ILE CB C 14 38.438 40.954 -2.516 1
1 106 . 10 1 1 A 14 14 ILE N N 14 125.550 127.219 -1.669 1
1 107 . 10 1 1 A 15 15 LEU H H 15 8.398 8.903 -0.505 1
1 108 . 10 1 1 A 15 15 LEU HA H 15 4.397 5.142 -0.745 1
1 118 . 10 1 1 A 15 15 LEU C C 15 177.749 176.035 1.714 1
1 119 . 10 1 1 A 15 15 LEU CA C 15 55.123 52.961 2.162 1
1 120 . 10 1 1 A 15 15 LEU CB C 15 42.560 45.390 -2.830 1
1 124 . 10 1 1 A 15 15 LEU N N 15 127.408 127.650 -0.242 1
1 125 . 10 1 1 A 16 16 GLY H H 16 8.347 8.402 -0.055 1
1 126 . 10 1 1 A 16 16 GLY HA2 H 16 3.964 4.046 -0.082 1
1 127 . 10 1 1 A 16 16 GLY HA3 H 16 3.964 4.051 -0.087 1
1 128 . 10 1 1 A 16 16 GLY C C 16 172.979 174.759 -1.780 1
1 129 . 10 1 1 A 16 16 GLY CA C 16 45.286 45.948 -0.662 1
1 130 . 10 1 1 A 16 16 GLY N N 16 109.546 109.537 0.009 1
1 131 . 10 1 1 A 17 17 ASN H H 17 7.974 7.995 -0.021 1
1 132 . 10 1 1 A 17 17 ASN HA H 17 4.577 4.307 0.270 1
1 137 . 10 1 1 A 17 17 ASN C C 17 175.869 174.581 1.288 1
1 138 . 10 1 1 A 17 17 ASN CA C 17 54.665 54.398 0.267 1
1 139 . 10 1 1 A 17 17 ASN CB C 17 40.830 36.732 4.098 1
1 140 . 10 1 1 A 17 17 ASN N N 17 124.057 113.822 10.235 1
1 142 . 10 1 1 A 18 18 GLY H H 18 8.150 8.130 0.020 1
1 143 . 10 1 1 A 18 18 GLY HA2 H 18 4.073 4.070 0.003 1
1 144 . 10 1 1 A 18 18 GLY HA3 H 18 4.073 4.070 0.003 1
1 145 . 10 1 1 A 18 18 GLY C C 18 172.372 173.612 -1.240 1
1 146 . 10 1 1 A 18 18 GLY CA C 18 44.898 44.955 -0.057 1
1 147 . 10 1 1 A 18 18 GLY N N 18 113.988 107.105 6.883 1
1 148 . 10 1 1 A 19 19 PRO HA H 19 4.441 4.645 -0.204 1
1 155 . 10 1 1 A 19 19 PRO C C 19 177.039 177.080 -0.041 1
1 156 . 10 1 1 A 19 19 PRO CA C 19 63.268 62.990 0.278 1
1 157 . 10 1 1 A 19 19 PRO CB C 19 32.159 32.154 0.005 1
1 160 . 10 1 1 A 20 20 ARG H H 20 8.414 8.860 -0.446 1
1 161 . 10 1 1 A 20 20 ARG HA H 20 4.339 4.464 -0.125 1
1 167 . 10 1 1 A 20 20 ARG C C 20 176.312 174.606 1.706 1
1 168 . 10 1 1 A 20 20 ARG CA C 20 56.111 55.560 0.551 1
1 169 . 10 1 1 A 20 20 ARG CB C 20 30.612 29.974 0.638 1
1 172 . 10 1 1 A 20 20 ARG N N 20 120.839 120.578 0.261 1
1 173 . 10 1 1 A 21 21 LEU H H 21 8.306 7.417 0.889 1
1 174 . 10 1 1 A 21 21 LEU HA H 21 4.405 4.753 -0.348 1
1 183 . 10 1 1 A 21 21 LEU C C 21 177.403 174.685 2.718 1
1 184 . 10 1 1 A 21 21 LEU CA C 21 55.141 53.866 1.275 1
1 185 . 10 1 1 A 21 21 LEU CB C 21 42.190 42.738 -0.548 1
1 189 . 10 1 1 A 21 21 LEU N N 21 123.561 122.288 1.273 1
1 190 . 10 1 1 A 22 22 GLN H H 22 8.406 9.023 -0.617 1
1 191 . 10 1 1 A 22 22 GLN HA H 22 4.336 4.728 -0.392 1
1 198 . 10 1 1 A 22 22 GLN C C 22 175.699 175.211 0.488 1
1 199 . 10 1 1 A 22 22 GLN CA C 22 56.181 54.632 1.549 1
1 200 . 10 1 1 A 22 22 GLN CB C 22 29.492 29.315 0.177 1
1 202 . 10 1 1 A 22 22 GLN N N 22 120.835 125.459 -4.624 1
1 204 . 10 1 1 A 24 24 SER HA H 24 4.451 4.317 0.134 1
1 207 . 10 1 1 A 24 24 SER C C 24 173.514 174.323 -0.809 1
1 208 . 10 1 1 A 24 24 SER CA C 24 58.579 61.050 -2.471 1
1 209 . 10 1 1 A 24 24 SER CB C 24 63.967 63.133 0.834 1
1 210 . 10 1 1 A 25 25 THR H H 25 7.806 7.516 0.290 1
1 211 . 10 1 1 A 25 25 THR HA H 25 4.348 4.752 -0.404 1
1 216 . 10 1 1 A 25 25 THR C C 25 173.359 174.345 -0.986 1
1 217 . 10 1 1 A 25 25 THR CA C 25 61.593 62.568 -0.975 1
1 218 . 10 1 1 A 25 25 THR CB C 25 70.716 69.542 1.174 1
1 220 . 10 1 1 A 25 25 THR N N 25 114.185 112.474 1.711 1
1 221 . 10 1 1 A 26 26 TYR H H 26 8.598 9.207 -0.609 1
1 222 . 10 1 1 A 26 26 TYR HA H 26 4.670 5.002 -0.332 1
1 229 . 10 1 1 A 26 26 TYR C C 26 174.444 175.170 -0.726 1
1 230 . 10 1 1 A 26 26 TYR CA C 26 56.798 57.637 -0.839 1
1 231 . 10 1 1 A 26 26 TYR CB C 26 39.717 39.103 0.614 1
1 236 . 10 1 1 A 26 26 TYR N N 26 121.326 124.503 -3.177 1
1 237 . 10 1 1 A 27 27 GLN H H 27 8.528 8.838 -0.310 1
1 238 . 10 1 1 A 27 27 GLN HA H 27 4.670 4.899 -0.229 1
1 245 . 10 1 1 A 27 27 GLN C C 27 175.055 175.481 -0.426 1
1 246 . 10 1 1 A 27 27 GLN CA C 27 54.718 55.718 -1.000 1
1 247 . 10 1 1 A 27 27 GLN CB C 27 30.938 29.318 1.620 1
1 249 . 10 1 1 A 27 27 GLN N N 27 123.045 124.231 -1.186 1
1 251 . 10 1 1 A 28 28 CYS H H 28 8.682 8.411 0.271 1
1 252 . 10 1 1 A 28 28 CYS HA H 28 4.331 4.606 -0.275 1
1 255 . 10 1 1 A 28 28 CYS C C 28 176.610 175.956 0.654 1
1 256 . 10 1 1 A 28 28 CYS CA C 28 60.394 59.730 0.664 1
1 257 . 10 1 1 A 28 28 CYS CB C 28 29.850 28.667 1.183 1
1 258 . 10 1 1 A 28 28 CYS N N 28 129.276 125.277 3.999 1
1 259 . 10 1 1 A 29 29 LYS H H 29 8.454 8.627 -0.173 1
1 260 . 10 1 1 A 29 29 LYS HA H 29 4.257 4.735 -0.478 1
1 269 . 10 1 1 A 29 29 LYS C C 29 176.581 177.014 -0.433 1
1 270 . 10 1 1 A 29 29 LYS CA C 29 57.584 56.425 1.159 1
1 271 . 10 1 1 A 29 29 LYS CB C 29 32.145 33.265 -1.120 1
1 275 . 10 1 1 A 29 29 LYS N N 29 127.445 122.601 4.844 1
1 276 . 10 1 1 A 30 30 HIS H H 30 9.625 7.745 1.880 1
1 277 . 10 1 1 A 30 30 HIS HA H 30 4.608 4.433 0.175 1
1 281 . 10 1 1 A 30 30 HIS C C 30 175.524 176.609 -1.085 1
1 282 . 10 1 1 A 30 30 HIS CA C 30 56.956 57.523 -0.567 1
1 283 . 10 1 1 A 30 30 HIS CB C 30 30.732 31.290 -0.558 1
1 285 . 10 1 1 A 30 30 HIS N N 30 121.657 116.642 5.015 1
1 286 . 10 1 1 A 31 31 CYS H H 31 8.086 8.007 0.079 1
1 287 . 10 1 1 A 31 31 CYS HA H 31 5.078 4.534 0.544 1
1 290 . 10 1 1 A 31 31 CYS C C 31 173.769 174.675 -0.906 1
1 291 . 10 1 1 A 31 31 CYS CA C 31 58.349 58.397 -0.048 1
1 292 . 10 1 1 A 31 31 CYS CB C 31 31.268 29.864 1.404 1
1 293 . 10 1 1 A 31 31 CYS N N 31 118.457 113.883 4.574 1
1 294 . 10 1 1 A 32 32 ASP H H 32 8.135 8.190 -0.055 1
1 295 . 10 1 1 A 32 32 ASP HA H 32 4.637 4.515 0.122 1
1 298 . 10 1 1 A 32 32 ASP C C 32 176.540 175.069 1.471 1
1 299 . 10 1 1 A 32 32 ASP CA C 32 55.687 55.532 0.155 1
1 300 . 10 1 1 A 32 32 ASP CB C 32 40.418 39.084 1.334 1
1 301 . 10 1 1 A 32 32 ASP N N 32 116.820 118.434 -1.614 1
1 302 . 10 1 1 A 33 33 SER H H 33 8.667 8.065 0.602 1
1 303 . 10 1 1 A 33 33 SER HA H 33 4.267 4.689 -0.422 1
1 306 . 10 1 1 A 33 33 SER C C 33 172.462 172.978 -0.516 1
1 307 . 10 1 1 A 33 33 SER CA C 33 61.452 58.278 3.174 1
1 308 . 10 1 1 A 33 33 SER CB C 33 63.893 65.291 -1.398 1
1 309 . 10 1 1 A 33 33 SER N N 33 119.488 113.231 6.257 1
1 310 . 10 1 1 A 34 34 LYS H H 34 8.389 8.362 0.027 1
1 311 . 10 1 1 A 34 34 LYS HA H 34 4.747 5.199 -0.452 1
1 320 . 10 1 1 A 34 34 LYS C C 34 175.517 175.248 0.269 1
1 321 . 10 1 1 A 34 34 LYS CA C 34 55.476 54.762 0.714 1
1 322 . 10 1 1 A 34 34 LYS CB C 34 33.526 35.317 -1.791 1
1 326 . 10 1 1 A 34 34 LYS N N 34 122.954 119.574 3.380 1
1 327 . 10 1 1 A 35 35 LEU H H 35 8.825 8.515 0.310 1
1 328 . 10 1 1 A 35 35 LEU HA H 35 4.847 4.825 0.022 1
1 338 . 10 1 1 A 35 35 LEU C C 35 177.476 177.115 0.361 1
1 339 . 10 1 1 A 35 35 LEU CA C 35 52.673 53.279 -0.606 1
1 340 . 10 1 1 A 35 35 LEU CB C 35 42.115 45.010 -2.895 1
1 344 . 10 1 1 A 35 35 LEU N N 35 126.489 125.826 0.663 1
1 345 . 10 1 1 A 36 36 GLN H H 36 8.883 8.550 0.333 1
1 346 . 10 1 1 A 36 36 GLN HA H 36 4.565 4.144 0.421 1
1 353 . 10 1 1 A 36 36 GLN C C 36 175.227 176.185 -0.958 1
1 354 . 10 1 1 A 36 36 GLN CA C 36 56.763 58.543 -1.780 1
1 355 . 10 1 1 A 36 36 GLN CB C 36 30.225 29.655 0.570 1
1 357 . 10 1 1 A 36 36 GLN N N 36 116.410 121.625 -5.215 1
1 359 . 10 1 1 A 37 37 SER H H 37 7.345 7.897 -0.552 1
1 360 . 10 1 1 A 37 37 SER HA H 37 4.569 4.233 0.336 1
1 363 . 10 1 1 A 37 37 SER C C 37 179.414 173.737 5.677 1
1 364 . 10 1 1 A 37 37 SER CA C 37 56.780 55.897 0.883 1
1 365 . 10 1 1 A 37 37 SER CB C 37 66.444 65.590 0.854 1
1 366 . 10 1 1 A 37 37 SER N N 37 110.125 112.153 -2.028 1
1 367 . 10 1 1 A 38 38 THR H H 38 8.099 7.882 0.217 1
1 368 . 10 1 1 A 38 38 THR HA H 38 3.627 3.553 0.074 1
1 373 . 10 1 1 A 38 38 THR CA C 38 65.831 65.427 0.404 1
1 374 . 10 1 1 A 38 38 THR CB C 38 68.118 69.208 -1.090 1
1 376 . 10 1 1 A 38 38 THR N N 38 121.696 114.875 6.821 1
1 377 . 10 1 1 A 39 39 ALA HA H 39 4.155 3.949 0.206 1
1 381 . 10 1 1 A 39 39 ALA C C 39 180.623 179.711 0.912 1
1 382 . 10 1 1 A 39 39 ALA CA C 39 55.406 55.322 0.084 1
1 383 . 10 1 1 A 39 39 ALA CB C 39 18.098 18.285 -0.187 1
1 384 . 10 1 1 A 40 40 GLU H H 40 7.881 7.612 0.269 1
1 385 . 10 1 1 A 40 40 GLU HA H 40 4.114 4.002 0.112 1
1 390 . 10 1 1 A 40 40 GLU C C 40 179.352 179.065 0.287 1
1 391 . 10 1 1 A 40 40 GLU CA C 40 58.914 58.997 -0.083 1
1 392 . 10 1 1 A 40 40 GLU CB C 40 30.822 29.845 0.977 1
1 394 . 10 1 1 A 40 40 GLU N N 40 118.475 118.179 0.296 1
1 395 . 10 1 1 A 41 41 LEU H H 41 8.096 7.619 0.477 1
1 396 . 10 1 1 A 41 41 LEU HA H 41 4.115 4.070 0.045 1
1 406 . 10 1 1 A 41 41 LEU C C 41 177.620 178.805 -1.185 1
1 407 . 10 1 1 A 41 41 LEU CA C 41 58.841 57.987 0.854 1
1 408 . 10 1 1 A 41 41 LEU CB C 41 41.442 41.697 -0.255 1
1 412 . 10 1 1 A 41 41 LEU N N 41 121.715 122.546 -0.831 1
1 413 . 10 1 1 A 42 42 THR H H 42 8.599 8.068 0.531 1
1 414 . 10 1 1 A 42 42 THR HA H 42 3.860 3.883 -0.023 1
1 419 . 10 1 1 A 42 42 THR C C 42 176.761 176.316 0.445 1
1 420 . 10 1 1 A 42 42 THR CA C 42 67.345 66.100 1.245 1
1 421 . 10 1 1 A 42 42 THR CB C 42 68.758 68.803 -0.045 1
1 423 . 10 1 1 A 42 42 THR N N 42 115.801 115.210 0.591 1
1 424 . 10 1 1 A 43 43 SER H H 43 7.833 8.085 -0.252 1
1 425 . 10 1 1 A 43 43 SER HA H 43 4.251 4.238 0.013 1
1 428 . 10 1 1 A 43 43 SER C C 43 176.836 175.822 1.014 1
1 429 . 10 1 1 A 43 43 SER CA C 43 61.646 61.991 -0.345 1
1 430 . 10 1 1 A 43 43 SER CB C 43 62.750 63.425 -0.675 1
1 431 . 10 1 1 A 43 43 SER N N 43 115.657 117.572 -1.915 1
1 432 . 10 1 1 A 44 44 HIS H H 44 8.415 8.296 0.119 1
1 433 . 10 1 1 A 44 44 HIS HA H 44 4.182 4.087 0.095 1
1 438 . 10 1 1 A 44 44 HIS C C 44 177.125 177.081 0.044 1
1 439 . 10 1 1 A 44 44 HIS CA C 44 60.094 60.056 0.038 1
1 440 . 10 1 1 A 44 44 HIS CB C 44 28.846 29.764 -0.918 1
1 443 . 10 1 1 A 44 44 HIS N N 44 122.271 122.036 0.235 1
1 444 . 10 1 1 A 45 45 LEU H H 45 8.854 8.821 0.033 1
1 445 . 10 1 1 A 45 45 LEU HA H 45 4.100 3.499 0.601 1
1 455 . 10 1 1 A 45 45 LEU C C 45 179.448 178.640 0.808 1
1 456 . 10 1 1 A 45 45 LEU CA C 45 58.297 58.063 0.234 1
1 457 . 10 1 1 A 45 45 LEU CB C 45 41.666 41.676 -0.010 1
1 461 . 10 1 1 A 45 45 LEU N N 45 118.289 119.616 -1.327 1
1 462 . 10 1 1 A 46 46 ASN H H 46 7.730 8.339 -0.609 1
1 463 . 10 1 1 A 46 46 ASN HA H 46 4.502 4.604 -0.102 1
1 468 . 10 1 1 A 46 46 ASN C C 46 177.759 177.986 -0.227 1
1 469 . 10 1 1 A 46 46 ASN CA C 46 56.163 56.381 -0.218 1
1 470 . 10 1 1 A 46 46 ASN CB C 46 38.069 37.826 0.243 1
1 471 . 10 1 1 A 46 46 ASN N N 46 117.155 116.297 0.858 1
1 473 . 10 1 1 A 47 47 ILE H H 47 7.670 7.400 0.270 1
1 474 . 10 1 1 A 47 47 ILE HA H 47 3.787 3.563 0.224 1
1 484 . 10 1 1 A 47 47 ILE C C 47 178.447 177.966 0.481 1
1 485 . 10 1 1 A 47 47 ILE CA C 47 64.273 65.092 -0.819 1
1 486 . 10 1 1 A 47 47 ILE CB C 47 37.214 37.863 -0.649 1
1 490 . 10 1 1 A 47 47 ILE N N 47 119.392 119.827 -0.435 1
1 491 . 10 1 1 A 48 48 HIS H H 48 6.999 7.856 -0.857 1
1 492 . 10 1 1 A 48 48 HIS HA H 48 4.437 4.202 0.235 1
1 497 . 10 1 1 A 48 48 HIS C C 48 175.932 177.871 -1.939 1
1 498 . 10 1 1 A 48 48 HIS CA C 48 56.855 59.158 -2.303 1
1 499 . 10 1 1 A 48 48 HIS CB C 48 27.971 29.505 -1.534 1
1 502 . 10 1 1 A 48 48 HIS N N 48 116.931 119.128 -2.197 1
1 503 . 10 1 1 A 49 49 ASN H H 49 8.059 8.407 -0.348 1
1 504 . 10 1 1 A 49 49 ASN HA H 49 4.555 4.450 0.105 1
1 509 . 10 1 1 A 49 49 ASN C C 49 177.139 178.382 -1.243 1
1 510 . 10 1 1 A 49 49 ASN CA C 49 55.552 55.854 -0.302 1
1 511 . 10 1 1 A 49 49 ASN CB C 49 38.495 38.121 0.374 1
1 512 . 10 1 1 A 49 49 ASN N N 49 118.208 116.340 1.868 1
1 514 . 10 1 1 A 50 50 GLU H H 50 8.336 8.714 -0.378 1
1 515 . 10 1 1 A 50 50 GLU HA H 50 4.090 4.001 0.089 1
1 520 . 10 1 1 A 50 50 GLU C C 50 178.637 179.557 -0.920 1
1 521 . 10 1 1 A 50 50 GLU CA C 50 59.246 59.672 -0.426 1
1 522 . 10 1 1 A 50 50 GLU CB C 50 29.582 29.292 0.290 1
1 524 . 10 1 1 A 50 50 GLU N N 50 121.316 119.340 1.976 1
1 525 . 10 1 1 A 51 51 GLU H H 51 7.932 8.307 -0.375 1
1 526 . 10 1 1 A 51 51 GLU HA H 51 4.093 4.086 0.007 1
1 531 . 10 1 1 A 51 51 GLU C C 51 179.088 179.178 -0.090 1
1 532 . 10 1 1 A 51 51 GLU CA C 51 59.037 59.210 -0.173 1
1 533 . 10 1 1 A 51 51 GLU CB C 51 29.183 29.634 -0.451 1
1 535 . 10 1 1 A 51 51 GLU N N 51 120.058 120.340 -0.282 1
1 536 . 10 1 1 A 52 52 PHE H H 52 8.345 8.055 0.290 1
1 537 . 10 1 1 A 52 52 PHE HA H 52 4.411 4.237 0.174 1
1 545 . 10 1 1 A 52 52 PHE C C 52 178.654 177.316 1.338 1
1 546 . 10 1 1 A 52 52 PHE CA C 52 59.523 61.532 -2.009 1
1 547 . 10 1 1 A 52 52 PHE CB C 52 38.261 39.253 -0.992 1
1 553 . 10 1 1 A 52 52 PHE N N 52 119.698 121.131 -1.433 1
1 554 . 10 1 1 A 53 53 GLN H H 53 8.197 8.204 -0.007 1
1 555 . 10 1 1 A 53 53 GLN HA H 53 4.153 4.013 0.140 1
1 562 . 10 1 1 A 53 53 GLN C C 53 178.059 178.812 -0.753 1
1 563 . 10 1 1 A 53 53 GLN CA C 53 58.120 59.406 -1.286 1
1 564 . 10 1 1 A 53 53 GLN CB C 53 28.591 28.262 0.329 1
1 566 . 10 1 1 A 53 53 GLN N N 53 118.967 117.743 1.224 1
1 568 . 10 1 1 A 54 54 LYS H H 54 8.008 8.239 -0.231 1
1 569 . 10 1 1 A 54 54 LYS HA H 54 4.118 3.946 0.172 1
1 577 . 10 1 1 A 54 54 LYS C C 54 178.686 178.731 -0.045 1
1 578 . 10 1 1 A 54 54 LYS CA C 54 59.002 59.856 -0.854 1
1 579 . 10 1 1 A 54 54 LYS CB C 54 32.608 32.309 0.299 1
1 583 . 10 1 1 A 54 54 LYS N N 54 119.791 119.620 0.171 1
1 584 . 10 1 1 A 55 55 ARG H H 55 7.978 7.574 0.404 1
1 585 . 10 1 1 A 55 55 ARG HA H 55 4.136 3.986 0.150 1
1 592 . 10 1 1 A 55 55 ARG C C 55 177.610 175.816 1.794 1
1 593 . 10 1 1 A 55 55 ARG CA C 55 58.183 58.702 -0.519 1
1 594 . 10 1 1 A 55 55 ARG CB C 55 30.410 29.716 0.694 1
1 597 . 10 1 1 A 55 55 ARG N N 55 119.619 119.393 0.226 1
1 598 . 10 1 1 A 56 56 ALA H H 56 8.008 7.939 0.069 1
1 599 . 10 1 1 A 56 56 ALA HA H 56 4.196 4.112 0.084 1
1 603 . 10 1 1 A 56 56 ALA C C 56 179.269 177.028 2.241 1
1 604 . 10 1 1 A 56 56 ALA CA C 56 53.930 53.327 0.603 1
1 605 . 10 1 1 A 56 56 ALA CB C 56 18.539 17.181 1.358 1
1 606 . 10 1 1 A 56 56 ALA N N 56 122.850 120.239 2.611 1
1 607 . 10 1 1 A 57 57 LYS H H 57 8.014 8.242 -0.228 1
1 608 . 10 1 1 A 57 57 LYS HA H 57 4.225 4.026 0.199 1
1 617 . 10 1 1 A 57 57 LYS C C 57 177.892 177.137 0.755 1
1 618 . 10 1 1 A 57 57 LYS CA C 57 57.504 56.975 0.529 1
1 619 . 10 1 1 A 57 57 LYS CB C 57 32.646 30.905 1.741 1
1 623 . 10 1 1 A 57 57 LYS N N 57 118.986 114.912 4.074 1
1 624 . 10 1 1 A 58 58 ARG H H 58 8.039 8.159 -0.120 1
1 625 . 10 1 1 A 58 58 ARG HA H 58 4.229 4.113 0.116 1
1 632 . 10 1 1 A 58 58 ARG C C 58 177.156 176.191 0.965 1
1 633 . 10 1 1 A 58 58 ARG CA C 58 57.425 58.783 -1.358 1
1 634 . 10 1 1 A 58 58 ARG CB C 58 30.561 30.096 0.465 1
1 637 . 10 1 1 A 58 58 ARG N N 58 120.747 120.130 0.617 1
1 638 . 10 1 1 A 59 59 GLN H H 59 8.195 7.597 0.598 1
1 639 . 10 1 1 A 59 59 GLN HA H 59 4.228 4.674 -0.446 1
1 644 . 10 1 1 A 59 59 GLN CA C 59 57.412 55.958 1.454 1
1 645 . 10 1 1 A 59 59 GLN CB C 59 32.773 31.095 1.678 1
1 647 . 10 1 1 A 59 59 GLN N N 59 121.145 118.297 2.848 1
1 648 . 10 1 1 A 60 60 GLU HA H 60 4.256 4.855 -0.599 1
1 653 . 10 1 1 A 60 60 GLU CA C 60 56.093 54.996 1.097 1
1 654 . 10 1 1 A 60 60 GLU CB C 60 29.429 33.737 -4.308 1
1 656 . 10 1 1 A 63 63 LYS HA H 63 4.263 4.694 -0.431 1
1 663 . 10 1 1 A 63 63 LYS CA C 63 56.908 54.517 2.391 1
1 664 . 10 1 1 A 63 63 LYS CB C 63 32.778 34.510 -1.732 1
1 665 . 10 1 1 A 64 64 GLN H H 64 8.261 8.762 -0.501 1
1 666 . 10 1 1 A 64 64 GLN HA H 64 4.253 4.187 0.066 1
1 673 . 10 1 1 A 64 64 GLN C C 64 176.687 175.366 1.321 1
1 674 . 10 1 1 A 64 64 GLN CA C 64 56.780 58.580 -1.800 1
1 675 . 10 1 1 A 64 64 GLN CB C 64 29.198 28.270 0.928 1
1 677 . 10 1 1 A 64 64 GLN N N 64 120.299 120.597 -0.298 1
1 679 . 10 1 1 A 65 65 LEU H H 65 8.190 7.666 0.524 1
1 680 . 10 1 1 A 65 65 LEU HA H 65 4.306 4.931 -0.625 1
1 690 . 10 1 1 A 65 65 LEU C C 65 177.894 174.650 3.244 1
1 691 . 10 1 1 A 65 65 LEU CA C 65 55.952 53.677 2.275 1
1 692 . 10 1 1 A 65 65 LEU CB C 65 42.313 46.704 -4.391 1
1 696 . 10 1 1 A 65 65 LEU N N 65 122.723 118.073 4.650 1
1 697 . 10 1 1 A 66 66 LEU H H 66 8.165 8.735 -0.570 1
1 698 . 10 1 1 A 66 66 LEU HA H 66 4.305 4.975 -0.670 1
1 708 . 10 1 1 A 66 66 LEU C C 66 177.867 174.795 3.072 1
1 709 . 10 1 1 A 66 66 LEU CA C 66 55.775 53.444 2.331 1
1 710 . 10 1 1 A 66 66 LEU CB C 66 42.336 42.776 -0.440 1
1 714 . 10 1 1 A 66 66 LEU N N 66 121.812 123.512 -1.700 1
1 715 . 10 1 1 A 67 67 SER H H 67 8.104 8.313 -0.209 1
1 716 . 10 1 1 A 67 67 SER CA C 67 58.896 57.604 1.292 1
1 717 . 10 1 1 A 67 67 SER CB C 67 63.674 67.686 -4.012 1
1 718 . 10 1 1 A 67 67 SER N N 67 115.632 120.438 -4.806 1
1 719 . 10 1 1 A 69 69 GLN HA H 69 4.221 4.290 -0.069 1
1 724 . 10 1 1 A 69 69 GLN CA C 69 57.547 55.318 2.229 1
1 725 . 10 1 1 A 69 69 GLN CB C 69 30.314 29.266 1.048 1
1 727 . 10 1 1 A 70 70 LYS H H 70 8.255 8.625 -0.370 1
1 728 . 10 1 1 A 70 70 LYS HA H 70 4.220 5.036 -0.816 1
1 737 . 10 1 1 A 70 70 LYS C C 70 176.303 175.265 1.038 1
1 738 . 10 1 1 A 70 70 LYS CA C 70 56.639 54.520 2.119 1
1 739 . 10 1 1 A 70 70 LYS CB C 70 33.080 36.837 -3.757 1
1 743 . 10 1 1 A 70 70 LYS N N 70 121.417 119.537 1.880 1
1 744 . 10 1 1 A 71 71 TYR H H 71 8.142 8.977 -0.835 1
1 745 . 10 1 1 A 71 71 TYR HA H 71 4.571 4.945 -0.374 1
1 752 . 10 1 1 A 71 71 TYR C C 71 175.736 175.571 0.165 1
1 753 . 10 1 1 A 71 71 TYR CA C 71 57.768 57.449 0.319 1
1 754 . 10 1 1 A 71 71 TYR CB C 71 38.894 40.574 -1.680 1
1 759 . 10 1 1 A 71 71 TYR N N 71 120.561 119.895 0.666 1
1 760 . 10 1 1 A 72 72 ALA H H 72 8.237 8.829 -0.592 1
1 761 . 10 1 1 A 72 72 ALA HA H 72 4.292 5.008 -0.716 1
1 765 . 10 1 1 A 72 72 ALA C C 72 177.276 175.549 1.727 1
1 766 . 10 1 1 A 72 72 ALA CA C 72 52.642 51.718 0.924 1
1 767 . 10 1 1 A 72 72 ALA CB C 72 19.405 22.956 -3.551 1
1 768 . 10 1 1 A 72 72 ALA N N 72 125.192 122.372 2.820 1
1 769 . 10 1 1 A 73 73 ASP H H 73 8.220 8.886 -0.666 1
1 770 . 10 1 1 A 73 73 ASP HA H 73 4.549 4.997 -0.448 1
1 773 . 10 1 1 A 73 73 ASP C C 73 176.922 174.620 2.302 1
1 774 . 10 1 1 A 73 73 ASP CA C 73 54.682 53.423 1.259 1
1 775 . 10 1 1 A 73 73 ASP CB C 73 41.239 44.638 -3.399 1
1 776 . 10 1 1 A 73 73 ASP N N 73 119.269 119.832 -0.563 1
1 777 . 10 1 1 A 74 74 GLY H H 74 8.269 8.401 -0.132 1
1 778 . 10 1 1 A 74 74 GLY HA2 H 74 3.963 4.435 -0.472 1
1 779 . 10 1 1 A 74 74 GLY HA3 H 74 3.879 4.441 -0.562 1
1 780 . 10 1 1 A 74 74 GLY C C 74 174.132 172.258 1.874 1
1 781 . 10 1 1 A 74 74 GLY CA C 74 45.551 45.566 -0.015 1
1 782 . 10 1 1 A 74 74 GLY N N 74 109.209 109.189 0.020 1
1 783 . 10 1 1 A 75 75 ALA H H 75 8.048 8.403 -0.355 1
1 784 . 10 1 1 A 75 75 ALA HA H 75 4.221 5.040 -0.819 1
1 788 . 10 1 1 A 75 75 ALA C C 75 177.507 175.585 1.922 1
1 789 . 10 1 1 A 75 75 ALA CA C 75 52.638 51.764 0.874 1
1 790 . 10 1 1 A 75 75 ALA CB C 75 19.281 23.193 -3.912 1
1 791 . 10 1 1 A 75 75 ALA N N 75 123.382 121.545 1.837 1
1 792 . 10 1 1 A 76 76 PHE H H 76 8.126 8.776 -0.650 1
1 793 . 10 1 1 A 76 76 PHE HA H 76 4.541 4.836 -0.295 1
1 798 . 10 1 1 A 76 76 PHE C C 76 175.620 173.325 2.295 1
1 799 . 10 1 1 A 76 76 PHE CA C 76 57.733 58.240 -0.507 1
1 800 . 10 1 1 A 76 76 PHE CB C 76 39.429 41.594 -2.165 1
1 801 . 10 1 1 A 76 76 PHE N N 76 118.540 119.734 -1.194 1
1 802 . 10 1 1 A 77 77 ALA H H 77 8.017 7.282 0.735 1
1 803 . 10 1 1 A 77 77 ALA HA H 77 4.207 4.857 -0.650 1
1 807 . 10 1 1 A 77 77 ALA C C 77 176.990 175.088 1.902 1
1 808 . 10 1 1 A 77 77 ALA CA C 77 52.602 50.901 1.701 1
1 809 . 10 1 1 A 77 77 ALA CB C 77 19.528 23.490 -3.962 1
1 810 . 10 1 1 A 77 77 ALA N N 77 124.826 124.443 0.383 1
1 811 . 10 1 1 A 78 78 ASP H H 78 8.061 8.929 -0.868 1
1 812 . 10 1 1 A 78 78 ASP HA H 78 4.538 5.498 -0.960 1
1 815 . 10 1 1 A 78 78 ASP C C 78 175.908 174.413 1.495 1
1 816 . 10 1 1 A 78 78 ASP CA C 78 54.189 52.143 2.046 1
1 817 . 10 1 1 A 78 78 ASP CB C 78 41.242 45.486 -4.244 1
1 818 . 10 1 1 A 78 78 ASP N N 78 119.019 117.623 1.396 1
1 819 . 10 1 1 A 79 79 PHE H H 79 8.023 8.831 -0.808 1
1 820 . 10 1 1 A 79 79 PHE HA H 79 4.586 5.001 -0.415 1
1 825 . 10 1 1 A 79 79 PHE C C 79 175.551 173.229 2.322 1
1 826 . 10 1 1 A 79 79 PHE CA C 79 57.891 58.077 -0.186 1
1 827 . 10 1 1 A 79 79 PHE CB C 79 39.484 42.122 -2.638 1
1 828 . 10 1 1 A 79 79 PHE N N 79 120.449 119.813 0.636 1
1 829 . 10 1 1 A 80 80 LYS H H 80 8.161 7.608 0.553 1
1 830 . 10 1 1 A 80 80 LYS HA H 80 4.251 4.522 -0.271 1
1 836 . 10 1 1 A 80 80 LYS C C 80 176.027 174.302 1.725 1
1 837 . 10 1 1 A 80 80 LYS CA C 80 56.233 55.279 0.954 1
1 838 . 10 1 1 A 80 80 LYS CB C 80 33.084 36.369 -3.285 1
1 842 . 10 1 1 A 80 80 LYS N N 80 123.309 125.557 -2.248 1
1 843 . 10 1 1 A 81 81 GLN H H 81 8.329 8.054 0.275 1
1 844 . 10 1 1 A 81 81 GLN HA H 81 4.284 4.248 0.036 1
1 851 . 10 1 1 A 81 81 GLN C C 81 176.009 176.319 -0.310 1
1 852 . 10 1 1 A 81 81 GLN CA C 81 55.952 56.730 -0.778 1
1 853 . 10 1 1 A 81 81 GLN CB C 81 29.623 30.027 -0.404 1
1 855 . 10 1 1 A 81 81 GLN N N 81 121.944 122.836 -0.892 1
1 857 . 10 1 1 A 82 82 GLU H H 82 8.542 8.021 0.521 1
1 858 . 10 1 1 A 82 82 GLU HA H 82 4.350 3.930 0.420 1
1 862 . 10 1 1 A 82 82 GLU C C 82 176.509 175.323 1.186 1
1 863 . 10 1 1 A 82 82 GLU CA C 82 56.675 57.217 -0.542 1
1 864 . 10 1 1 A 82 82 GLU CB C 82 30.447 28.305 2.142 1
1 866 . 10 1 1 A 82 82 GLU N N 82 122.687 119.764 2.923 1
1 867 . 10 1 1 A 83 83 SER H H 83 8.418 8.270 0.148 1
1 868 . 10 1 1 A 83 83 SER HA H 83 4.516 4.921 -0.405 1
1 871 . 10 1 1 A 83 83 SER C C 83 174.538 174.133 0.405 1
1 872 . 10 1 1 A 83 83 SER CA C 83 58.403 56.790 1.613 1
1 873 . 10 1 1 A 83 83 SER CB C 83 64.018 66.001 -1.983 1
1 874 . 10 1 1 A 83 83 SER N N 83 116.897 110.606 6.291 1
1 875 . 10 1 1 A 84 84 GLY H H 84 8.276 8.227 0.049 1
1 876 . 10 1 1 A 84 84 GLY C C 84 171.814 171.439 0.375 1
1 877 . 10 1 1 A 84 84 GLY CA C 84 44.722 45.176 -0.454 1
1 878 . 10 1 1 A 84 84 GLY N N 84 110.673 107.199 3.474 1
1 879 . 10 1 1 A 85 85 PRO HA H 85 4.497 4.596 -0.099 1
1 885 . 10 1 1 A 85 85 PRO C C 85 177.204 175.146 2.058 1
1 886 . 10 1 1 A 85 85 PRO CA C 85 63.290 62.501 0.789 1
1 887 . 10 1 1 A 85 85 PRO CB C 85 32.228 33.207 -0.979 1
1 890 . 10 1 1 A 86 86 SER H H 86 8.331 8.203 0.128 1
1 891 . 10 1 1 A 86 86 SER HA H 86 4.339 4.942 -0.603 1
1 892 . 10 1 1 A 86 86 SER C C 86 174.935 172.437 2.498 1
1 893 . 10 1 1 A 86 86 SER CA C 86 61.769 57.631 4.138 1
1 894 . 10 1 1 A 86 86 SER CB C 86 69.836 67.762 2.074 1
1 895 . 10 1 1 A 86 86 SER N N 86 114.681 114.538 0.143 1
1 896 . 10 1 1 A 87 87 SER H H 87 8.121 8.823 -0.702 1
1 897 . 10 1 1 A 87 87 SER CA C 87 61.963 56.553 5.410 1
1 898 . 10 1 1 A 87 87 SER CB C 87 69.818 65.756 4.062 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.975 4.243 -0.268 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.975 4.244 -0.269 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.115 172.299 1.816 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.392 45.213 0.179 1
1 5 . 11 1 1 A 8 8 LEU H H 8 8.037 8.863 -0.826 1
1 6 . 11 1 1 A 8 8 LEU HA H 8 4.347 5.284 -0.937 1
1 16 . 11 1 1 A 8 8 LEU C C 8 177.426 175.353 2.073 1
1 17 . 11 1 1 A 8 8 LEU CA C 8 55.352 52.658 2.694 1
1 18 . 11 1 1 A 8 8 LEU CB C 8 42.478 45.690 -3.212 1
1 22 . 11 1 1 A 8 8 LEU N N 8 121.686 123.048 -1.362 1
1 23 . 11 1 1 A 9 9 LYS H H 9 8.309 8.575 -0.266 1
1 24 . 11 1 1 A 9 9 LYS HA H 9 4.319 4.990 -0.671 1
1 29 . 11 1 1 A 9 9 LYS CA C 9 56.195 54.304 1.891 1
1 30 . 11 1 1 A 9 9 LYS CB C 9 32.820 36.947 -4.127 1
1 34 . 11 1 1 A 9 9 LYS N N 9 122.335 120.324 2.011 1
1 35 . 11 1 1 A 10 10 ARG HA H 10 4.306 5.374 -1.068 1
1 42 . 11 1 1 A 10 10 ARG C C 10 175.845 174.371 1.474 1
1 43 . 11 1 1 A 10 10 ARG CA C 10 56.146 53.712 2.434 1
1 44 . 11 1 1 A 10 10 ARG CB C 10 31.005 34.647 -3.642 1
1 47 . 11 1 1 A 11 11 ASP H H 11 8.293 8.932 -0.639 1
1 48 . 11 1 1 A 11 11 ASP HA H 11 4.582 4.830 -0.248 1
1 51 . 11 1 1 A 11 11 ASP C C 11 175.382 174.570 0.812 1
1 52 . 11 1 1 A 11 11 ASP CA C 11 54.612 53.230 1.382 1
1 53 . 11 1 1 A 11 11 ASP CB C 11 41.572 44.271 -2.699 1
1 54 . 11 1 1 A 11 11 ASP N N 11 120.563 119.370 1.193 1
1 55 . 11 1 1 A 12 12 PHE H H 12 7.961 8.535 -0.574 1
1 56 . 11 1 1 A 12 12 PHE HA H 12 4.758 4.035 0.723 1
1 63 . 11 1 1 A 12 12 PHE C C 12 175.068 175.707 -0.639 1
1 64 . 11 1 1 A 12 12 PHE CA C 12 58.990 58.547 0.443 1
1 65 . 11 1 1 A 12 12 PHE CB C 12 40.037 36.142 3.895 1
1 70 . 11 1 1 A 12 12 PHE N N 12 118.808 117.491 1.317 1
1 71 . 11 1 1 A 13 13 ILE H H 13 8.167 7.835 0.332 1
1 72 . 11 1 1 A 13 13 ILE HA H 13 4.167 4.123 0.044 1
1 82 . 11 1 1 A 13 13 ILE C C 13 175.712 176.551 -0.839 1
1 83 . 11 1 1 A 13 13 ILE CA C 13 60.976 62.946 -1.970 1
1 84 . 11 1 1 A 13 13 ILE CB C 13 39.277 38.208 1.069 1
1 88 . 11 1 1 A 13 13 ILE N N 13 122.190 119.143 3.047 1
1 89 . 11 1 1 A 14 14 ILE H H 14 8.287 7.556 0.731 1
1 90 . 11 1 1 A 14 14 ILE HA H 14 4.163 3.979 0.184 1
1 100 . 11 1 1 A 14 14 ILE C C 14 176.116 176.141 -0.025 1
1 101 . 11 1 1 A 14 14 ILE CA C 14 61.142 62.597 -1.455 1
1 102 . 11 1 1 A 14 14 ILE CB C 14 38.438 38.383 0.055 1
1 106 . 11 1 1 A 14 14 ILE N N 14 125.550 124.516 1.034 1
1 107 . 11 1 1 A 15 15 LEU H H 15 8.398 8.588 -0.190 1
1 108 . 11 1 1 A 15 15 LEU HA H 15 4.397 4.793 -0.396 1
1 118 . 11 1 1 A 15 15 LEU C C 15 177.749 175.046 2.703 1
1 119 . 11 1 1 A 15 15 LEU CA C 15 55.123 53.622 1.501 1
1 120 . 11 1 1 A 15 15 LEU CB C 15 42.560 44.332 -1.772 1
1 124 . 11 1 1 A 15 15 LEU N N 15 127.408 123.970 3.438 1
1 125 . 11 1 1 A 16 16 GLY H H 16 8.347 8.404 -0.057 1
1 126 . 11 1 1 A 16 16 GLY HA2 H 16 3.964 4.128 -0.164 1
1 127 . 11 1 1 A 16 16 GLY HA3 H 16 3.964 4.130 -0.166 1
1 128 . 11 1 1 A 16 16 GLY C C 16 172.979 171.914 1.065 1
1 129 . 11 1 1 A 16 16 GLY CA C 16 45.286 45.788 -0.502 1
1 130 . 11 1 1 A 16 16 GLY N N 16 109.546 106.573 2.973 1
1 131 . 11 1 1 A 17 17 ASN H H 17 7.974 8.898 -0.924 1
1 132 . 11 1 1 A 17 17 ASN HA H 17 4.577 5.458 -0.881 1
1 137 . 11 1 1 A 17 17 ASN C C 17 175.869 174.223 1.646 1
1 138 . 11 1 1 A 17 17 ASN CA C 17 54.665 52.447 2.218 1
1 139 . 11 1 1 A 17 17 ASN CB C 17 40.830 42.730 -1.900 1
1 140 . 11 1 1 A 17 17 ASN N N 17 124.057 122.524 1.533 1
1 142 . 11 1 1 A 18 18 GLY H H 18 8.150 8.444 -0.294 1
1 143 . 11 1 1 A 18 18 GLY HA2 H 18 4.073 4.157 -0.084 1
1 144 . 11 1 1 A 18 18 GLY HA3 H 18 4.073 4.157 -0.084 1
1 145 . 11 1 1 A 18 18 GLY C C 18 172.372 171.647 0.725 1
1 146 . 11 1 1 A 18 18 GLY CA C 18 44.898 45.231 -0.333 1
1 147 . 11 1 1 A 18 18 GLY N N 18 113.988 108.640 5.348 1
1 148 . 11 1 1 A 19 19 PRO HA H 19 4.441 4.689 -0.248 1
1 155 . 11 1 1 A 19 19 PRO C C 19 177.039 176.494 0.545 1
1 156 . 11 1 1 A 19 19 PRO CA C 19 63.268 62.648 0.620 1
1 157 . 11 1 1 A 19 19 PRO CB C 19 32.159 31.059 1.100 1
1 160 . 11 1 1 A 20 20 ARG H H 20 8.414 8.647 -0.233 1
1 161 . 11 1 1 A 20 20 ARG HA H 20 4.339 4.347 -0.008 1
1 167 . 11 1 1 A 20 20 ARG C C 20 176.312 177.056 -0.744 1
1 168 . 11 1 1 A 20 20 ARG CA C 20 56.111 57.943 -1.832 1
1 169 . 11 1 1 A 20 20 ARG CB C 20 30.612 31.135 -0.523 1
1 172 . 11 1 1 A 20 20 ARG N N 20 120.839 121.071 -0.232 1
1 173 . 11 1 1 A 21 21 LEU H H 21 8.306 7.505 0.801 1
1 174 . 11 1 1 A 21 21 LEU HA H 21 4.405 4.151 0.254 1
1 183 . 11 1 1 A 21 21 LEU C C 21 177.403 176.142 1.261 1
1 184 . 11 1 1 A 21 21 LEU CA C 21 55.141 55.923 -0.782 1
1 185 . 11 1 1 A 21 21 LEU CB C 21 42.190 42.236 -0.046 1
1 189 . 11 1 1 A 21 21 LEU N N 21 123.561 121.312 2.249 1
1 190 . 11 1 1 A 22 22 GLN H H 22 8.406 8.677 -0.271 1
1 191 . 11 1 1 A 22 22 GLN HA H 22 4.336 4.808 -0.472 1
1 198 . 11 1 1 A 22 22 GLN C C 22 175.699 174.379 1.320 1
1 199 . 11 1 1 A 22 22 GLN CA C 22 56.181 54.874 1.307 1
1 200 . 11 1 1 A 22 22 GLN CB C 22 29.492 29.215 0.277 1
1 202 . 11 1 1 A 22 22 GLN N N 22 120.835 125.828 -4.993 1
1 204 . 11 1 1 A 24 24 SER HA H 24 4.451 4.679 -0.228 1
1 207 . 11 1 1 A 24 24 SER C C 24 173.514 173.992 -0.478 1
1 208 . 11 1 1 A 24 24 SER CA C 24 58.579 57.755 0.824 1
1 209 . 11 1 1 A 24 24 SER CB C 24 63.967 62.964 1.003 1
1 210 . 11 1 1 A 25 25 THR H H 25 7.806 7.553 0.253 1
1 211 . 11 1 1 A 25 25 THR HA H 25 4.348 4.561 -0.213 1
1 216 . 11 1 1 A 25 25 THR C C 25 173.359 173.826 -0.467 1
1 217 . 11 1 1 A 25 25 THR CA C 25 61.593 62.319 -0.726 1
1 218 . 11 1 1 A 25 25 THR CB C 25 70.716 70.284 0.432 1
1 220 . 11 1 1 A 25 25 THR N N 25 114.185 113.794 0.391 1
1 221 . 11 1 1 A 26 26 TYR H H 26 8.598 9.556 -0.958 1
1 222 . 11 1 1 A 26 26 TYR HA H 26 4.670 5.241 -0.571 1
1 229 . 11 1 1 A 26 26 TYR C C 26 174.444 175.182 -0.738 1
1 230 . 11 1 1 A 26 26 TYR CA C 26 56.798 56.540 0.258 1
1 231 . 11 1 1 A 26 26 TYR CB C 26 39.717 40.696 -0.979 1
1 236 . 11 1 1 A 26 26 TYR N N 26 121.326 119.952 1.374 1
1 237 . 11 1 1 A 27 27 GLN H H 27 8.528 8.782 -0.254 1
1 238 . 11 1 1 A 27 27 GLN HA H 27 4.670 5.102 -0.432 1
1 245 . 11 1 1 A 27 27 GLN C C 27 175.055 175.364 -0.309 1
1 246 . 11 1 1 A 27 27 GLN CA C 27 54.718 55.357 -0.639 1
1 247 . 11 1 1 A 27 27 GLN CB C 27 30.938 29.099 1.839 1
1 249 . 11 1 1 A 27 27 GLN N N 27 123.045 122.824 0.221 1
1 251 . 11 1 1 A 28 28 CYS H H 28 8.682 8.344 0.338 1
1 252 . 11 1 1 A 28 28 CYS HA H 28 4.331 4.529 -0.198 1
1 255 . 11 1 1 A 28 28 CYS C C 28 176.610 176.482 0.128 1
1 256 . 11 1 1 A 28 28 CYS CA C 28 60.394 60.174 0.220 1
1 257 . 11 1 1 A 28 28 CYS CB C 28 29.850 28.401 1.449 1
1 258 . 11 1 1 A 28 28 CYS N N 28 129.276 125.105 4.171 1
1 259 . 11 1 1 A 29 29 LYS H H 29 8.454 8.548 -0.094 1
1 260 . 11 1 1 A 29 29 LYS HA H 29 4.257 4.526 -0.269 1
1 269 . 11 1 1 A 29 29 LYS C C 29 176.581 175.775 0.806 1
1 270 . 11 1 1 A 29 29 LYS CA C 29 57.584 56.441 1.143 1
1 271 . 11 1 1 A 29 29 LYS CB C 29 32.145 32.257 -0.112 1
1 275 . 11 1 1 A 29 29 LYS N N 29 127.445 122.613 4.832 1
1 276 . 11 1 1 A 30 30 HIS H H 30 9.625 8.113 1.512 1
1 277 . 11 1 1 A 30 30 HIS HA H 30 4.608 4.729 -0.121 1
1 281 . 11 1 1 A 30 30 HIS C C 30 175.524 176.303 -0.779 1
1 282 . 11 1 1 A 30 30 HIS CA C 30 56.956 56.906 0.050 1
1 283 . 11 1 1 A 30 30 HIS CB C 30 30.732 31.764 -1.032 1
1 285 . 11 1 1 A 30 30 HIS N N 30 121.657 116.576 5.081 1
1 286 . 11 1 1 A 31 31 CYS H H 31 8.086 8.153 -0.067 1
1 287 . 11 1 1 A 31 31 CYS HA H 31 5.078 4.557 0.521 1
1 290 . 11 1 1 A 31 31 CYS C C 31 173.769 174.724 -0.955 1
1 291 . 11 1 1 A 31 31 CYS CA C 31 58.349 58.405 -0.056 1
1 292 . 11 1 1 A 31 31 CYS CB C 31 31.268 29.852 1.416 1
1 293 . 11 1 1 A 31 31 CYS N N 31 118.457 113.375 5.082 1
1 294 . 11 1 1 A 32 32 ASP H H 32 8.135 8.336 -0.201 1
1 295 . 11 1 1 A 32 32 ASP HA H 32 4.637 4.510 0.127 1
1 298 . 11 1 1 A 32 32 ASP C C 32 176.540 175.612 0.928 1
1 299 . 11 1 1 A 32 32 ASP CA C 32 55.687 55.126 0.561 1
1 300 . 11 1 1 A 32 32 ASP CB C 32 40.418 39.593 0.825 1
1 301 . 11 1 1 A 32 32 ASP N N 32 116.820 120.820 -4.000 1
1 302 . 11 1 1 A 33 33 SER H H 33 8.667 7.925 0.742 1
1 303 . 11 1 1 A 33 33 SER HA H 33 4.267 4.699 -0.432 1
1 306 . 11 1 1 A 33 33 SER C C 33 172.462 173.169 -0.707 1
1 307 . 11 1 1 A 33 33 SER CA C 33 61.452 56.404 5.048 1
1 308 . 11 1 1 A 33 33 SER CB C 33 63.893 65.264 -1.371 1
1 309 . 11 1 1 A 33 33 SER N N 33 119.488 113.370 6.118 1
1 310 . 11 1 1 A 34 34 LYS H H 34 8.389 8.330 0.059 1
1 311 . 11 1 1 A 34 34 LYS HA H 34 4.747 5.567 -0.820 1
1 320 . 11 1 1 A 34 34 LYS C C 34 175.517 175.159 0.358 1
1 321 . 11 1 1 A 34 34 LYS CA C 34 55.476 54.787 0.689 1
1 322 . 11 1 1 A 34 34 LYS CB C 34 33.526 35.328 -1.802 1
1 326 . 11 1 1 A 34 34 LYS N N 34 122.954 121.238 1.716 1
1 327 . 11 1 1 A 35 35 LEU H H 35 8.825 8.669 0.156 1
1 328 . 11 1 1 A 35 35 LEU HA H 35 4.847 4.838 0.009 1
1 338 . 11 1 1 A 35 35 LEU C C 35 177.476 177.225 0.251 1
1 339 . 11 1 1 A 35 35 LEU CA C 35 52.673 53.238 -0.565 1
1 340 . 11 1 1 A 35 35 LEU CB C 35 42.115 44.882 -2.767 1
1 344 . 11 1 1 A 35 35 LEU N N 35 126.489 126.078 0.411 1
1 345 . 11 1 1 A 36 36 GLN H H 36 8.883 8.549 0.334 1
1 346 . 11 1 1 A 36 36 GLN HA H 36 4.565 4.170 0.395 1
1 353 . 11 1 1 A 36 36 GLN C C 36 175.227 176.124 -0.897 1
1 354 . 11 1 1 A 36 36 GLN CA C 36 56.763 58.424 -1.661 1
1 355 . 11 1 1 A 36 36 GLN CB C 36 30.225 29.577 0.648 1
1 357 . 11 1 1 A 36 36 GLN N N 36 116.410 121.243 -4.833 1
1 359 . 11 1 1 A 37 37 SER H H 37 7.345 7.236 0.109 1
1 360 . 11 1 1 A 37 37 SER HA H 37 4.569 3.887 0.682 1
1 363 . 11 1 1 A 37 37 SER C C 37 179.414 173.444 5.970 1
1 364 . 11 1 1 A 37 37 SER CA C 37 56.780 56.888 -0.108 1
1 365 . 11 1 1 A 37 37 SER CB C 37 66.444 66.828 -0.384 1
1 366 . 11 1 1 A 37 37 SER N N 37 110.125 112.643 -2.518 1
1 367 . 11 1 1 A 38 38 THR H H 38 8.099 8.321 -0.222 1
1 368 . 11 1 1 A 38 38 THR HA H 38 3.627 3.693 -0.066 1
1 373 . 11 1 1 A 38 38 THR CA C 38 65.831 66.333 -0.502 1
1 374 . 11 1 1 A 38 38 THR CB C 38 68.118 68.818 -0.700 1
1 376 . 11 1 1 A 38 38 THR N N 38 121.696 116.080 5.616 1
1 377 . 11 1 1 A 39 39 ALA HA H 39 4.155 4.021 0.134 1
1 381 . 11 1 1 A 39 39 ALA C C 39 180.623 179.441 1.182 1
1 382 . 11 1 1 A 39 39 ALA CA C 39 55.406 55.270 0.136 1
1 383 . 11 1 1 A 39 39 ALA CB C 39 18.098 18.611 -0.513 1
1 384 . 11 1 1 A 40 40 GLU H H 40 7.881 7.976 -0.095 1
1 385 . 11 1 1 A 40 40 GLU HA H 40 4.114 4.090 0.024 1
1 390 . 11 1 1 A 40 40 GLU C C 40 179.352 178.858 0.494 1
1 391 . 11 1 1 A 40 40 GLU CA C 40 58.914 59.173 -0.259 1
1 392 . 11 1 1 A 40 40 GLU CB C 40 30.822 29.892 0.930 1
1 394 . 11 1 1 A 40 40 GLU N N 40 118.475 117.992 0.483 1
1 395 . 11 1 1 A 41 41 LEU H H 41 8.096 7.906 0.190 1
1 396 . 11 1 1 A 41 41 LEU HA H 41 4.115 4.131 -0.016 1
1 406 . 11 1 1 A 41 41 LEU C C 41 177.620 178.739 -1.119 1
1 407 . 11 1 1 A 41 41 LEU CA C 41 58.841 58.238 0.603 1
1 408 . 11 1 1 A 41 41 LEU CB C 41 41.442 41.605 -0.163 1
1 412 . 11 1 1 A 41 41 LEU N N 41 121.715 121.922 -0.207 1
1 413 . 11 1 1 A 42 42 THR H H 42 8.599 8.308 0.291 1
1 414 . 11 1 1 A 42 42 THR HA H 42 3.860 3.915 -0.055 1
1 419 . 11 1 1 A 42 42 THR C C 42 176.761 176.453 0.308 1
1 420 . 11 1 1 A 42 42 THR CA C 42 67.345 66.033 1.312 1
1 421 . 11 1 1 A 42 42 THR CB C 42 68.758 68.833 -0.075 1
1 423 . 11 1 1 A 42 42 THR N N 42 115.801 114.921 0.880 1
1 424 . 11 1 1 A 43 43 SER H H 43 7.833 7.631 0.202 1
1 425 . 11 1 1 A 43 43 SER HA H 43 4.251 4.375 -0.124 1
1 428 . 11 1 1 A 43 43 SER C C 43 176.836 176.779 0.057 1
1 429 . 11 1 1 A 43 43 SER CA C 43 61.646 61.232 0.414 1
1 430 . 11 1 1 A 43 43 SER CB C 43 62.750 63.042 -0.292 1
1 431 . 11 1 1 A 43 43 SER N N 43 115.657 116.553 -0.896 1
1 432 . 11 1 1 A 44 44 HIS H H 44 8.415 8.245 0.170 1
1 433 . 11 1 1 A 44 44 HIS HA H 44 4.182 4.219 -0.037 1
1 438 . 11 1 1 A 44 44 HIS C C 44 177.125 177.050 0.075 1
1 439 . 11 1 1 A 44 44 HIS CA C 44 60.094 60.029 0.065 1
1 440 . 11 1 1 A 44 44 HIS CB C 44 28.846 30.143 -1.297 1
1 443 . 11 1 1 A 44 44 HIS N N 44 122.271 121.828 0.443 1
1 444 . 11 1 1 A 45 45 LEU H H 45 8.854 8.782 0.072 1
1 445 . 11 1 1 A 45 45 LEU HA H 45 4.100 3.551 0.549 1
1 455 . 11 1 1 A 45 45 LEU C C 45 179.448 178.681 0.767 1
1 456 . 11 1 1 A 45 45 LEU CA C 45 58.297 58.259 0.038 1
1 457 . 11 1 1 A 45 45 LEU CB C 45 41.666 41.166 0.500 1
1 461 . 11 1 1 A 45 45 LEU N N 45 118.289 119.868 -1.579 1
1 462 . 11 1 1 A 46 46 ASN H H 46 7.730 8.331 -0.601 1
1 463 . 11 1 1 A 46 46 ASN HA H 46 4.502 4.369 0.133 1
1 468 . 11 1 1 A 46 46 ASN C C 46 177.759 177.974 -0.215 1
1 469 . 11 1 1 A 46 46 ASN CA C 46 56.163 56.410 -0.247 1
1 470 . 11 1 1 A 46 46 ASN CB C 46 38.069 37.880 0.189 1
1 471 . 11 1 1 A 46 46 ASN N N 46 117.155 116.400 0.755 1
1 473 . 11 1 1 A 47 47 ILE H H 47 7.670 8.025 -0.355 1
1 474 . 11 1 1 A 47 47 ILE HA H 47 3.787 3.578 0.209 1
1 484 . 11 1 1 A 47 47 ILE C C 47 178.447 178.148 0.299 1
1 485 . 11 1 1 A 47 47 ILE CA C 47 64.273 65.193 -0.920 1
1 486 . 11 1 1 A 47 47 ILE CB C 47 37.214 37.916 -0.702 1
1 490 . 11 1 1 A 47 47 ILE N N 47 119.392 119.719 -0.327 1
1 491 . 11 1 1 A 48 48 HIS H H 48 6.999 8.051 -1.052 1
1 492 . 11 1 1 A 48 48 HIS HA H 48 4.437 4.129 0.308 1
1 497 . 11 1 1 A 48 48 HIS C C 48 175.932 177.705 -1.773 1
1 498 . 11 1 1 A 48 48 HIS CA C 48 56.855 59.101 -2.246 1
1 499 . 11 1 1 A 48 48 HIS CB C 48 27.971 29.722 -1.751 1
1 502 . 11 1 1 A 48 48 HIS N N 48 116.931 119.261 -2.330 1
1 503 . 11 1 1 A 49 49 ASN H H 49 8.059 8.168 -0.109 1
1 504 . 11 1 1 A 49 49 ASN HA H 49 4.555 4.287 0.268 1
1 509 . 11 1 1 A 49 49 ASN C C 49 177.139 178.034 -0.895 1
1 510 . 11 1 1 A 49 49 ASN CA C 49 55.552 56.450 -0.898 1
1 511 . 11 1 1 A 49 49 ASN CB C 49 38.495 37.877 0.618 1
1 512 . 11 1 1 A 49 49 ASN N N 49 118.208 117.196 1.012 1
1 514 . 11 1 1 A 50 50 GLU H H 50 8.336 8.406 -0.070 1
1 515 . 11 1 1 A 50 50 GLU HA H 50 4.090 3.999 0.091 1
1 520 . 11 1 1 A 50 50 GLU C C 50 178.637 179.290 -0.653 1
1 521 . 11 1 1 A 50 50 GLU CA C 50 59.246 59.606 -0.360 1
1 522 . 11 1 1 A 50 50 GLU CB C 50 29.582 29.266 0.316 1
1 524 . 11 1 1 A 50 50 GLU N N 50 121.316 119.326 1.990 1
1 525 . 11 1 1 A 51 51 GLU H H 51 7.932 8.464 -0.532 1
1 526 . 11 1 1 A 51 51 GLU HA H 51 4.093 4.051 0.042 1
1 531 . 11 1 1 A 51 51 GLU C C 51 179.088 179.079 0.009 1
1 532 . 11 1 1 A 51 51 GLU CA C 51 59.037 59.294 -0.257 1
1 533 . 11 1 1 A 51 51 GLU CB C 51 29.183 29.595 -0.412 1
1 535 . 11 1 1 A 51 51 GLU N N 51 120.058 120.255 -0.197 1
1 536 . 11 1 1 A 52 52 PHE H H 52 8.345 8.353 -0.008 1
1 537 . 11 1 1 A 52 52 PHE HA H 52 4.411 4.127 0.284 1
1 545 . 11 1 1 A 52 52 PHE C C 52 178.654 177.428 1.226 1
1 546 . 11 1 1 A 52 52 PHE CA C 52 59.523 61.461 -1.938 1
1 547 . 11 1 1 A 52 52 PHE CB C 52 38.261 39.110 -0.849 1
1 553 . 11 1 1 A 52 52 PHE N N 52 119.698 121.347 -1.649 1
1 554 . 11 1 1 A 53 53 GLN H H 53 8.197 7.971 0.226 1
1 555 . 11 1 1 A 53 53 GLN HA H 53 4.153 4.111 0.042 1
1 562 . 11 1 1 A 53 53 GLN C C 53 178.059 177.941 0.118 1
1 563 . 11 1 1 A 53 53 GLN CA C 53 58.120 59.262 -1.142 1
1 564 . 11 1 1 A 53 53 GLN CB C 53 28.591 28.454 0.137 1
1 566 . 11 1 1 A 53 53 GLN N N 53 118.967 117.600 1.367 1
1 568 . 11 1 1 A 54 54 LYS H H 54 8.008 7.673 0.335 1
1 569 . 11 1 1 A 54 54 LYS HA H 54 4.118 3.963 0.155 1
1 577 . 11 1 1 A 54 54 LYS C C 54 178.686 178.883 -0.197 1
1 578 . 11 1 1 A 54 54 LYS CA C 54 59.002 59.785 -0.783 1
1 579 . 11 1 1 A 54 54 LYS CB C 54 32.608 32.218 0.390 1
1 583 . 11 1 1 A 54 54 LYS N N 54 119.791 117.492 2.299 1
1 584 . 11 1 1 A 55 55 ARG H H 55 7.978 7.518 0.460 1
1 585 . 11 1 1 A 55 55 ARG HA H 55 4.136 3.948 0.188 1
1 592 . 11 1 1 A 55 55 ARG C C 55 177.610 175.921 1.689 1
1 593 . 11 1 1 A 55 55 ARG CA C 55 58.183 59.386 -1.203 1
1 594 . 11 1 1 A 55 55 ARG CB C 55 30.410 29.678 0.732 1
1 597 . 11 1 1 A 55 55 ARG N N 55 119.619 119.476 0.143 1
1 598 . 11 1 1 A 56 56 ALA H H 56 8.008 7.680 0.328 1
1 599 . 11 1 1 A 56 56 ALA HA H 56 4.196 4.034 0.162 1
1 603 . 11 1 1 A 56 56 ALA C C 56 179.269 176.009 3.260 1
1 604 . 11 1 1 A 56 56 ALA CA C 56 53.930 53.223 0.707 1
1 605 . 11 1 1 A 56 56 ALA CB C 56 18.539 17.363 1.176 1
1 606 . 11 1 1 A 56 56 ALA N N 56 122.850 120.633 2.217 1
1 607 . 11 1 1 A 57 57 LYS H H 57 8.014 7.726 0.288 1
1 608 . 11 1 1 A 57 57 LYS HA H 57 4.225 4.956 -0.731 1
1 617 . 11 1 1 A 57 57 LYS C C 57 177.892 174.315 3.577 1
1 618 . 11 1 1 A 57 57 LYS CA C 57 57.504 54.856 2.648 1
1 619 . 11 1 1 A 57 57 LYS CB C 57 32.646 36.086 -3.440 1
1 623 . 11 1 1 A 57 57 LYS N N 57 118.986 116.369 2.617 1
1 624 . 11 1 1 A 58 58 ARG H H 58 8.039 8.739 -0.700 1
1 625 . 11 1 1 A 58 58 ARG HA H 58 4.229 5.189 -0.960 1
1 632 . 11 1 1 A 58 58 ARG C C 58 177.156 175.245 1.911 1
1 633 . 11 1 1 A 58 58 ARG CA C 58 57.425 54.031 3.394 1
1 634 . 11 1 1 A 58 58 ARG CB C 58 30.561 33.961 -3.400 1
1 637 . 11 1 1 A 58 58 ARG N N 58 120.747 124.502 -3.755 1
1 638 . 11 1 1 A 59 59 GLN H H 59 8.195 8.430 -0.235 1
1 639 . 11 1 1 A 59 59 GLN HA H 59 4.228 4.182 0.046 1
1 644 . 11 1 1 A 59 59 GLN CA C 59 57.412 56.540 0.872 1
1 645 . 11 1 1 A 59 59 GLN CB C 59 32.773 29.374 3.399 1
1 647 . 11 1 1 A 59 59 GLN N N 59 121.145 124.218 -3.073 1
1 648 . 11 1 1 A 60 60 GLU HA H 60 4.256 4.180 0.076 1
1 653 . 11 1 1 A 60 60 GLU CA C 60 56.093 56.890 -0.797 1
1 654 . 11 1 1 A 60 60 GLU CB C 60 29.429 29.921 -0.492 1
1 656 . 11 1 1 A 63 63 LYS HA H 63 4.263 5.097 -0.834 1
1 663 . 11 1 1 A 63 63 LYS CA C 63 56.908 55.024 1.884 1
1 664 . 11 1 1 A 63 63 LYS CB C 63 32.778 36.586 -3.808 1
1 665 . 11 1 1 A 64 64 GLN H H 64 8.261 8.867 -0.606 1
1 666 . 11 1 1 A 64 64 GLN HA H 64 4.253 5.080 -0.827 1
1 673 . 11 1 1 A 64 64 GLN C C 64 176.687 174.373 2.314 1
1 674 . 11 1 1 A 64 64 GLN CA C 64 56.780 54.064 2.716 1
1 675 . 11 1 1 A 64 64 GLN CB C 64 29.198 31.839 -2.641 1
1 677 . 11 1 1 A 64 64 GLN N N 64 120.299 122.444 -2.145 1
1 679 . 11 1 1 A 65 65 LEU H H 65 8.190 8.868 -0.678 1
1 680 . 11 1 1 A 65 65 LEU HA H 65 4.306 4.871 -0.565 1
1 690 . 11 1 1 A 65 65 LEU C C 65 177.894 175.670 2.224 1
1 691 . 11 1 1 A 65 65 LEU CA C 65 55.952 53.680 2.272 1
1 692 . 11 1 1 A 65 65 LEU CB C 65 42.313 42.689 -0.376 1
1 696 . 11 1 1 A 65 65 LEU N N 65 122.723 125.606 -2.883 1
1 697 . 11 1 1 A 66 66 LEU H H 66 8.165 8.807 -0.642 1
1 698 . 11 1 1 A 66 66 LEU HA H 66 4.305 5.249 -0.944 1
1 708 . 11 1 1 A 66 66 LEU C C 66 177.867 175.320 2.547 1
1 709 . 11 1 1 A 66 66 LEU CA C 66 55.775 53.352 2.423 1
1 710 . 11 1 1 A 66 66 LEU CB C 66 42.336 46.460 -4.124 1
1 714 . 11 1 1 A 66 66 LEU N N 66 121.812 117.564 4.248 1
1 715 . 11 1 1 A 67 67 SER H H 67 8.104 8.698 -0.594 1
1 716 . 11 1 1 A 67 67 SER CA C 67 58.896 57.326 1.570 1
1 717 . 11 1 1 A 67 67 SER CB C 67 63.674 65.948 -2.274 1
1 718 . 11 1 1 A 67 67 SER N N 67 115.632 114.478 1.154 1
1 719 . 11 1 1 A 69 69 GLN HA H 69 4.221 5.043 -0.822 1
1 724 . 11 1 1 A 69 69 GLN CA C 69 57.547 54.677 2.870 1
1 725 . 11 1 1 A 69 69 GLN CB C 69 30.314 32.215 -1.901 1
1 727 . 11 1 1 A 70 70 LYS H H 70 8.255 8.775 -0.520 1
1 728 . 11 1 1 A 70 70 LYS HA H 70 4.220 4.772 -0.552 1
1 737 . 11 1 1 A 70 70 LYS C C 70 176.303 174.102 2.201 1
1 738 . 11 1 1 A 70 70 LYS CA C 70 56.639 54.462 2.177 1
1 739 . 11 1 1 A 70 70 LYS CB C 70 33.080 37.307 -4.227 1
1 743 . 11 1 1 A 70 70 LYS N N 70 121.417 121.231 0.186 1
1 744 . 11 1 1 A 71 71 TYR H H 71 8.142 8.467 -0.325 1
1 745 . 11 1 1 A 71 71 TYR HA H 71 4.571 5.292 -0.721 1
1 752 . 11 1 1 A 71 71 TYR C C 71 175.736 173.005 2.731 1
1 753 . 11 1 1 A 71 71 TYR CA C 71 57.768 56.406 1.362 1
1 754 . 11 1 1 A 71 71 TYR CB C 71 38.894 40.836 -1.942 1
1 759 . 11 1 1 A 71 71 TYR N N 71 120.561 117.119 3.442 1
1 760 . 11 1 1 A 72 72 ALA H H 72 8.237 8.774 -0.537 1
1 761 . 11 1 1 A 72 72 ALA HA H 72 4.292 5.116 -0.824 1
1 765 . 11 1 1 A 72 72 ALA C C 72 177.276 175.403 1.873 1
1 766 . 11 1 1 A 72 72 ALA CA C 72 52.642 51.569 1.073 1
1 767 . 11 1 1 A 72 72 ALA CB C 72 19.405 23.491 -4.086 1
1 768 . 11 1 1 A 72 72 ALA N N 72 125.192 121.736 3.456 1
1 769 . 11 1 1 A 73 73 ASP H H 73 8.220 8.906 -0.686 1
1 770 . 11 1 1 A 73 73 ASP HA H 73 4.549 5.032 -0.483 1
1 773 . 11 1 1 A 73 73 ASP C C 73 176.922 174.852 2.070 1
1 774 . 11 1 1 A 73 73 ASP CA C 73 54.682 53.180 1.502 1
1 775 . 11 1 1 A 73 73 ASP CB C 73 41.239 45.071 -3.832 1
1 776 . 11 1 1 A 73 73 ASP N N 73 119.269 118.637 0.632 1
1 777 . 11 1 1 A 74 74 GLY H H 74 8.269 8.441 -0.172 1
1 778 . 11 1 1 A 74 74 GLY HA2 H 74 3.963 4.430 -0.467 1
1 779 . 11 1 1 A 74 74 GLY HA3 H 74 3.879 4.451 -0.572 1
1 780 . 11 1 1 A 74 74 GLY C C 74 174.132 172.619 1.513 1
1 781 . 11 1 1 A 74 74 GLY CA C 74 45.551 45.717 -0.166 1
1 782 . 11 1 1 A 74 74 GLY N N 74 109.209 108.362 0.847 1
1 783 . 11 1 1 A 75 75 ALA H H 75 8.048 8.425 -0.377 1
1 784 . 11 1 1 A 75 75 ALA HA H 75 4.221 5.098 -0.877 1
1 788 . 11 1 1 A 75 75 ALA C C 75 177.507 175.628 1.879 1
1 789 . 11 1 1 A 75 75 ALA CA C 75 52.638 51.492 1.146 1
1 790 . 11 1 1 A 75 75 ALA CB C 75 19.281 23.463 -4.182 1
1 791 . 11 1 1 A 75 75 ALA N N 75 123.382 121.604 1.778 1
1 792 . 11 1 1 A 76 76 PHE H H 76 8.126 8.475 -0.349 1
1 793 . 11 1 1 A 76 76 PHE HA H 76 4.541 5.426 -0.885 1
1 798 . 11 1 1 A 76 76 PHE C C 76 175.620 172.708 2.912 1
1 799 . 11 1 1 A 76 76 PHE CA C 76 57.733 55.568 2.165 1
1 800 . 11 1 1 A 76 76 PHE CB C 76 39.429 42.108 -2.679 1
1 801 . 11 1 1 A 76 76 PHE N N 76 118.540 115.482 3.058 1
1 802 . 11 1 1 A 77 77 ALA H H 77 8.017 8.886 -0.869 1
1 803 . 11 1 1 A 77 77 ALA HA H 77 4.207 5.205 -0.998 1
1 807 . 11 1 1 A 77 77 ALA C C 77 176.990 175.169 1.821 1
1 808 . 11 1 1 A 77 77 ALA CA C 77 52.602 50.962 1.640 1
1 809 . 11 1 1 A 77 77 ALA CB C 77 19.528 23.449 -3.921 1
1 810 . 11 1 1 A 77 77 ALA N N 77 124.826 121.637 3.189 1
1 811 . 11 1 1 A 78 78 ASP H H 78 8.061 8.914 -0.853 1
1 812 . 11 1 1 A 78 78 ASP HA H 78 4.538 5.567 -1.029 1
1 815 . 11 1 1 A 78 78 ASP C C 78 175.908 175.184 0.724 1
1 816 . 11 1 1 A 78 78 ASP CA C 78 54.189 52.997 1.192 1
1 817 . 11 1 1 A 78 78 ASP CB C 78 41.242 44.332 -3.090 1
1 818 . 11 1 1 A 78 78 ASP N N 78 119.019 118.726 0.293 1
1 819 . 11 1 1 A 79 79 PHE H H 79 8.023 8.770 -0.747 1
1 820 . 11 1 1 A 79 79 PHE HA H 79 4.586 5.285 -0.699 1
1 825 . 11 1 1 A 79 79 PHE C C 79 175.551 172.886 2.665 1
1 826 . 11 1 1 A 79 79 PHE CA C 79 57.891 55.690 2.201 1
1 827 . 11 1 1 A 79 79 PHE CB C 79 39.484 41.547 -2.063 1
1 828 . 11 1 1 A 79 79 PHE N N 79 120.449 116.741 3.708 1
1 829 . 11 1 1 A 80 80 LYS H H 80 8.161 8.394 -0.233 1
1 830 . 11 1 1 A 80 80 LYS HA H 80 4.251 4.577 -0.326 1
1 836 . 11 1 1 A 80 80 LYS C C 80 176.027 175.797 0.230 1
1 837 . 11 1 1 A 80 80 LYS CA C 80 56.233 55.876 0.357 1
1 838 . 11 1 1 A 80 80 LYS CB C 80 33.084 34.054 -0.970 1
1 842 . 11 1 1 A 80 80 LYS N N 80 123.309 119.648 3.661 1
1 843 . 11 1 1 A 81 81 GLN H H 81 8.329 8.509 -0.180 1
1 844 . 11 1 1 A 81 81 GLN HA H 81 4.284 4.970 -0.686 1
1 851 . 11 1 1 A 81 81 GLN C C 81 176.009 173.551 2.458 1
1 852 . 11 1 1 A 81 81 GLN CA C 81 55.952 54.531 1.421 1
1 853 . 11 1 1 A 81 81 GLN CB C 81 29.623 32.633 -3.010 1
1 855 . 11 1 1 A 81 81 GLN N N 81 121.944 120.622 1.322 1
1 857 . 11 1 1 A 82 82 GLU H H 82 8.542 8.654 -0.112 1
1 858 . 11 1 1 A 82 82 GLU HA H 82 4.350 5.243 -0.893 1
1 862 . 11 1 1 A 82 82 GLU C C 82 176.509 175.109 1.400 1
1 863 . 11 1 1 A 82 82 GLU CA C 82 56.675 54.715 1.960 1
1 864 . 11 1 1 A 82 82 GLU CB C 82 30.447 33.496 -3.049 1
1 866 . 11 1 1 A 82 82 GLU N N 82 122.687 123.274 -0.587 1
1 867 . 11 1 1 A 83 83 SER H H 83 8.418 9.011 -0.593 1
1 868 . 11 1 1 A 83 83 SER HA H 83 4.516 4.694 -0.178 1
1 871 . 11 1 1 A 83 83 SER C C 83 174.538 175.235 -0.697 1
1 872 . 11 1 1 A 83 83 SER CA C 83 58.403 59.193 -0.790 1
1 873 . 11 1 1 A 83 83 SER CB C 83 64.018 65.026 -1.008 1
1 874 . 11 1 1 A 83 83 SER N N 83 116.897 119.953 -3.056 1
1 875 . 11 1 1 A 84 84 GLY H H 84 8.276 7.914 0.362 1
1 876 . 11 1 1 A 84 84 GLY C C 84 171.814 173.209 -1.395 1
1 877 . 11 1 1 A 84 84 GLY CA C 84 44.722 44.808 -0.086 1
1 878 . 11 1 1 A 84 84 GLY N N 84 110.673 106.611 4.062 1
1 879 . 11 1 1 A 85 85 PRO HA H 85 4.497 4.671 -0.174 1
1 885 . 11 1 1 A 85 85 PRO C C 85 177.204 175.239 1.965 1
1 886 . 11 1 1 A 85 85 PRO CA C 85 63.290 62.589 0.701 1
1 887 . 11 1 1 A 85 85 PRO CB C 85 32.228 33.274 -1.046 1
1 890 . 11 1 1 A 86 86 SER H H 86 8.331 8.498 -0.167 1
1 891 . 11 1 1 A 86 86 SER HA H 86 4.339 5.005 -0.666 1
1 892 . 11 1 1 A 86 86 SER C C 86 174.935 172.582 2.353 1
1 893 . 11 1 1 A 86 86 SER CA C 86 61.769 57.391 4.378 1
1 894 . 11 1 1 A 86 86 SER CB C 86 69.836 67.908 1.928 1
1 895 . 11 1 1 A 86 86 SER N N 86 114.681 114.804 -0.123 1
1 896 . 11 1 1 A 87 87 SER H H 87 8.121 8.587 -0.466 1
1 897 . 11 1 1 A 87 87 SER CA C 87 61.963 57.120 4.843 1
1 898 . 11 1 1 A 87 87 SER CB C 87 69.818 66.199 3.619 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.975 4.200 -0.225 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.975 4.200 -0.225 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.115 172.852 1.263 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.392 45.437 -0.045 1
1 5 . 12 1 1 A 8 8 LEU H H 8 8.037 8.015 0.022 1
1 6 . 12 1 1 A 8 8 LEU HA H 8 4.347 4.774 -0.427 1
1 16 . 12 1 1 A 8 8 LEU C C 8 177.426 174.478 2.948 1
1 17 . 12 1 1 A 8 8 LEU CA C 8 55.352 54.808 0.544 1
1 18 . 12 1 1 A 8 8 LEU CB C 8 42.478 44.982 -2.504 1
1 22 . 12 1 1 A 8 8 LEU N N 8 121.686 120.125 1.561 1
1 23 . 12 1 1 A 9 9 LYS H H 9 8.309 8.802 -0.493 1
1 24 . 12 1 1 A 9 9 LYS HA H 9 4.319 5.041 -0.722 1
1 29 . 12 1 1 A 9 9 LYS CA C 9 56.195 55.125 1.070 1
1 30 . 12 1 1 A 9 9 LYS CB C 9 32.820 36.158 -3.338 1
1 34 . 12 1 1 A 9 9 LYS N N 9 122.335 125.906 -3.571 1
1 35 . 12 1 1 A 10 10 ARG HA H 10 4.306 5.033 -0.727 1
1 42 . 12 1 1 A 10 10 ARG C C 10 175.845 174.415 1.430 1
1 43 . 12 1 1 A 10 10 ARG CA C 10 56.146 55.006 1.140 1
1 44 . 12 1 1 A 10 10 ARG CB C 10 31.005 32.578 -1.573 1
1 47 . 12 1 1 A 11 11 ASP H H 11 8.293 8.903 -0.610 1
1 48 . 12 1 1 A 11 11 ASP HA H 11 4.582 4.911 -0.329 1
1 51 . 12 1 1 A 11 11 ASP C C 11 175.382 176.459 -1.077 1
1 52 . 12 1 1 A 11 11 ASP CA C 11 54.612 55.914 -1.302 1
1 53 . 12 1 1 A 11 11 ASP CB C 11 41.572 41.889 -0.317 1
1 54 . 12 1 1 A 11 11 ASP N N 11 120.563 119.526 1.037 1
1 55 . 12 1 1 A 12 12 PHE H H 12 7.961 7.874 0.087 1
1 56 . 12 1 1 A 12 12 PHE HA H 12 4.758 5.007 -0.249 1
1 63 . 12 1 1 A 12 12 PHE C C 12 175.068 173.078 1.990 1
1 64 . 12 1 1 A 12 12 PHE CA C 12 58.990 56.574 2.416 1
1 65 . 12 1 1 A 12 12 PHE CB C 12 40.037 40.483 -0.446 1
1 70 . 12 1 1 A 12 12 PHE N N 12 118.808 113.257 5.551 1
1 71 . 12 1 1 A 13 13 ILE H H 13 8.167 8.610 -0.443 1
1 72 . 12 1 1 A 13 13 ILE HA H 13 4.167 4.562 -0.395 1
1 82 . 12 1 1 A 13 13 ILE C C 13 175.712 174.664 1.048 1
1 83 . 12 1 1 A 13 13 ILE CA C 13 60.976 60.292 0.684 1
1 84 . 12 1 1 A 13 13 ILE CB C 13 39.277 42.141 -2.864 1
1 88 . 12 1 1 A 13 13 ILE N N 13 122.190 119.455 2.735 1
1 89 . 12 1 1 A 14 14 ILE H H 14 8.287 8.737 -0.450 1
1 90 . 12 1 1 A 14 14 ILE HA H 14 4.163 4.984 -0.821 1
1 100 . 12 1 1 A 14 14 ILE C C 14 176.116 175.555 0.561 1
1 101 . 12 1 1 A 14 14 ILE CA C 14 61.142 60.052 1.090 1
1 102 . 12 1 1 A 14 14 ILE CB C 14 38.438 40.313 -1.875 1
1 106 . 12 1 1 A 14 14 ILE N N 14 125.550 126.839 -1.289 1
1 107 . 12 1 1 A 15 15 LEU H H 15 8.398 8.784 -0.386 1
1 108 . 12 1 1 A 15 15 LEU HA H 15 4.397 4.931 -0.534 1
1 118 . 12 1 1 A 15 15 LEU C C 15 177.749 176.096 1.653 1
1 119 . 12 1 1 A 15 15 LEU CA C 15 55.123 53.466 1.657 1
1 120 . 12 1 1 A 15 15 LEU CB C 15 42.560 45.051 -2.491 1
1 124 . 12 1 1 A 15 15 LEU N N 15 127.408 126.470 0.938 1
1 125 . 12 1 1 A 16 16 GLY H H 16 8.347 8.614 -0.267 1
1 126 . 12 1 1 A 16 16 GLY HA2 H 16 3.964 4.263 -0.299 1
1 127 . 12 1 1 A 16 16 GLY HA3 H 16 3.964 4.266 -0.302 1
1 128 . 12 1 1 A 16 16 GLY C C 16 172.979 172.684 0.295 1
1 129 . 12 1 1 A 16 16 GLY CA C 16 45.286 45.408 -0.122 1
1 130 . 12 1 1 A 16 16 GLY N N 16 109.546 110.808 -1.262 1
1 131 . 12 1 1 A 17 17 ASN H H 17 7.974 8.740 -0.766 1
1 132 . 12 1 1 A 17 17 ASN HA H 17 4.577 5.596 -1.019 1
1 137 . 12 1 1 A 17 17 ASN C C 17 175.869 173.483 2.386 1
1 138 . 12 1 1 A 17 17 ASN CA C 17 54.665 52.095 2.570 1
1 139 . 12 1 1 A 17 17 ASN CB C 17 40.830 40.915 -0.085 1
1 140 . 12 1 1 A 17 17 ASN N N 17 124.057 118.363 5.694 1
1 142 . 12 1 1 A 18 18 GLY H H 18 8.150 8.545 -0.395 1
1 143 . 12 1 1 A 18 18 GLY HA2 H 18 4.073 4.222 -0.149 1
1 144 . 12 1 1 A 18 18 GLY HA3 H 18 4.073 4.234 -0.161 1
1 145 . 12 1 1 A 18 18 GLY C C 18 172.372 171.310 1.062 1
1 146 . 12 1 1 A 18 18 GLY CA C 18 44.898 45.388 -0.490 1
1 147 . 12 1 1 A 18 18 GLY N N 18 113.988 109.100 4.888 1
1 148 . 12 1 1 A 19 19 PRO HA H 19 4.441 4.617 -0.176 1
1 155 . 12 1 1 A 19 19 PRO C C 19 177.039 175.177 1.862 1
1 156 . 12 1 1 A 19 19 PRO CA C 19 63.268 62.544 0.724 1
1 157 . 12 1 1 A 19 19 PRO CB C 19 32.159 33.232 -1.073 1
1 160 . 12 1 1 A 20 20 ARG H H 20 8.414 8.650 -0.236 1
1 161 . 12 1 1 A 20 20 ARG HA H 20 4.339 4.696 -0.357 1
1 167 . 12 1 1 A 20 20 ARG C C 20 176.312 176.248 0.064 1
1 168 . 12 1 1 A 20 20 ARG CA C 20 56.111 54.745 1.366 1
1 169 . 12 1 1 A 20 20 ARG CB C 20 30.612 31.993 -1.381 1
1 172 . 12 1 1 A 20 20 ARG N N 20 120.839 120.974 -0.135 1
1 173 . 12 1 1 A 21 21 LEU H H 21 8.306 8.815 -0.509 1
1 174 . 12 1 1 A 21 21 LEU HA H 21 4.405 4.345 0.060 1
1 183 . 12 1 1 A 21 21 LEU C C 21 177.403 176.613 0.790 1
1 184 . 12 1 1 A 21 21 LEU CA C 21 55.141 55.663 -0.522 1
1 185 . 12 1 1 A 21 21 LEU CB C 21 42.190 42.583 -0.393 1
1 189 . 12 1 1 A 21 21 LEU N N 21 123.561 122.218 1.343 1
1 190 . 12 1 1 A 22 22 GLN H H 22 8.406 7.528 0.878 1
1 191 . 12 1 1 A 22 22 GLN HA H 22 4.336 4.613 -0.277 1
1 198 . 12 1 1 A 22 22 GLN C C 22 175.699 174.328 1.371 1
1 199 . 12 1 1 A 22 22 GLN CA C 22 56.181 55.642 0.539 1
1 200 . 12 1 1 A 22 22 GLN CB C 22 29.492 32.241 -2.749 1
1 202 . 12 1 1 A 22 22 GLN N N 22 120.835 117.201 3.634 1
1 204 . 12 1 1 A 24 24 SER HA H 24 4.451 4.201 0.250 1
1 207 . 12 1 1 A 24 24 SER C C 24 173.514 173.389 0.125 1
1 208 . 12 1 1 A 24 24 SER CA C 24 58.579 58.851 -0.272 1
1 209 . 12 1 1 A 24 24 SER CB C 24 63.967 61.790 2.177 1
1 210 . 12 1 1 A 25 25 THR H H 25 7.806 7.678 0.128 1
1 211 . 12 1 1 A 25 25 THR HA H 25 4.348 4.803 -0.455 1
1 216 . 12 1 1 A 25 25 THR C C 25 173.359 174.166 -0.807 1
1 217 . 12 1 1 A 25 25 THR CA C 25 61.593 62.535 -0.942 1
1 218 . 12 1 1 A 25 25 THR CB C 25 70.716 69.828 0.888 1
1 220 . 12 1 1 A 25 25 THR N N 25 114.185 112.708 1.477 1
1 221 . 12 1 1 A 26 26 TYR H H 26 8.598 9.429 -0.831 1
1 222 . 12 1 1 A 26 26 TYR HA H 26 4.670 5.048 -0.378 1
1 229 . 12 1 1 A 26 26 TYR C C 26 174.444 174.946 -0.502 1
1 230 . 12 1 1 A 26 26 TYR CA C 26 56.798 57.204 -0.406 1
1 231 . 12 1 1 A 26 26 TYR CB C 26 39.717 39.274 0.443 1
1 236 . 12 1 1 A 26 26 TYR N N 26 121.326 122.702 -1.376 1
1 237 . 12 1 1 A 27 27 GLN H H 27 8.528 8.740 -0.212 1
1 238 . 12 1 1 A 27 27 GLN HA H 27 4.670 4.811 -0.141 1
1 245 . 12 1 1 A 27 27 GLN C C 27 175.055 175.770 -0.715 1
1 246 . 12 1 1 A 27 27 GLN CA C 27 54.718 55.174 -0.456 1
1 247 . 12 1 1 A 27 27 GLN CB C 27 30.938 30.070 0.868 1
1 249 . 12 1 1 A 27 27 GLN N N 27 123.045 124.815 -1.770 1
1 251 . 12 1 1 A 28 28 CYS H H 28 8.682 8.510 0.172 1
1 252 . 12 1 1 A 28 28 CYS HA H 28 4.331 4.573 -0.242 1
1 255 . 12 1 1 A 28 28 CYS C C 28 176.610 176.070 0.540 1
1 256 . 12 1 1 A 28 28 CYS CA C 28 60.394 59.205 1.189 1
1 257 . 12 1 1 A 28 28 CYS CB C 28 29.850 28.916 0.934 1
1 258 . 12 1 1 A 28 28 CYS N N 28 129.276 125.549 3.727 1
1 259 . 12 1 1 A 29 29 LYS H H 29 8.454 8.412 0.042 1
1 260 . 12 1 1 A 29 29 LYS HA H 29 4.257 4.593 -0.336 1
1 269 . 12 1 1 A 29 29 LYS C C 29 176.581 177.224 -0.643 1
1 270 . 12 1 1 A 29 29 LYS CA C 29 57.584 56.790 0.794 1
1 271 . 12 1 1 A 29 29 LYS CB C 29 32.145 33.345 -1.200 1
1 275 . 12 1 1 A 29 29 LYS N N 29 127.445 122.340 5.105 1
1 276 . 12 1 1 A 30 30 HIS H H 30 9.625 7.428 2.197 1
1 277 . 12 1 1 A 30 30 HIS HA H 30 4.608 4.417 0.191 1
1 281 . 12 1 1 A 30 30 HIS C C 30 175.524 176.490 -0.966 1
1 282 . 12 1 1 A 30 30 HIS CA C 30 56.956 58.654 -1.698 1
1 283 . 12 1 1 A 30 30 HIS CB C 30 30.732 30.739 -0.007 1
1 285 . 12 1 1 A 30 30 HIS N N 30 121.657 117.024 4.633 1
1 286 . 12 1 1 A 31 31 CYS H H 31 8.086 8.110 -0.024 1
1 287 . 12 1 1 A 31 31 CYS HA H 31 5.078 4.522 0.556 1
1 290 . 12 1 1 A 31 31 CYS C C 31 173.769 174.801 -1.032 1
1 291 . 12 1 1 A 31 31 CYS CA C 31 58.349 58.465 -0.116 1
1 292 . 12 1 1 A 31 31 CYS CB C 31 31.268 29.989 1.279 1
1 293 . 12 1 1 A 31 31 CYS N N 31 118.457 113.997 4.460 1
1 294 . 12 1 1 A 32 32 ASP H H 32 8.135 8.307 -0.172 1
1 295 . 12 1 1 A 32 32 ASP HA H 32 4.637 4.612 0.025 1
1 298 . 12 1 1 A 32 32 ASP C C 32 176.540 175.736 0.804 1
1 299 . 12 1 1 A 32 32 ASP CA C 32 55.687 55.232 0.455 1
1 300 . 12 1 1 A 32 32 ASP CB C 32 40.418 39.452 0.966 1
1 301 . 12 1 1 A 32 32 ASP N N 32 116.820 120.866 -4.046 1
1 302 . 12 1 1 A 33 33 SER H H 33 8.667 7.842 0.825 1
1 303 . 12 1 1 A 33 33 SER HA H 33 4.267 4.630 -0.363 1
1 306 . 12 1 1 A 33 33 SER C C 33 172.462 173.356 -0.894 1
1 307 . 12 1 1 A 33 33 SER CA C 33 61.452 56.692 4.760 1
1 308 . 12 1 1 A 33 33 SER CB C 33 63.893 65.126 -1.233 1
1 309 . 12 1 1 A 33 33 SER N N 33 119.488 113.478 6.010 1
1 310 . 12 1 1 A 34 34 LYS H H 34 8.389 8.360 0.029 1
1 311 . 12 1 1 A 34 34 LYS HA H 34 4.747 5.118 -0.371 1
1 320 . 12 1 1 A 34 34 LYS C C 34 175.517 175.172 0.345 1
1 321 . 12 1 1 A 34 34 LYS CA C 34 55.476 54.811 0.665 1
1 322 . 12 1 1 A 34 34 LYS CB C 34 33.526 35.076 -1.550 1
1 326 . 12 1 1 A 34 34 LYS N N 34 122.954 121.188 1.766 1
1 327 . 12 1 1 A 35 35 LEU H H 35 8.825 8.569 0.256 1
1 328 . 12 1 1 A 35 35 LEU HA H 35 4.847 4.862 -0.015 1
1 338 . 12 1 1 A 35 35 LEU C C 35 177.476 177.306 0.170 1
1 339 . 12 1 1 A 35 35 LEU CA C 35 52.673 53.252 -0.579 1
1 340 . 12 1 1 A 35 35 LEU CB C 35 42.115 44.957 -2.842 1
1 344 . 12 1 1 A 35 35 LEU N N 35 126.489 125.900 0.589 1
1 345 . 12 1 1 A 36 36 GLN H H 36 8.883 8.568 0.315 1
1 346 . 12 1 1 A 36 36 GLN HA H 36 4.565 4.148 0.417 1
1 353 . 12 1 1 A 36 36 GLN C C 36 175.227 176.214 -0.987 1
1 354 . 12 1 1 A 36 36 GLN CA C 36 56.763 58.608 -1.845 1
1 355 . 12 1 1 A 36 36 GLN CB C 36 30.225 29.555 0.670 1
1 357 . 12 1 1 A 36 36 GLN N N 36 116.410 121.569 -5.159 1
1 359 . 12 1 1 A 37 37 SER H H 37 7.345 7.618 -0.273 1
1 360 . 12 1 1 A 37 37 SER HA H 37 4.569 4.100 0.469 1
1 363 . 12 1 1 A 37 37 SER C C 37 179.414 173.683 5.731 1
1 364 . 12 1 1 A 37 37 SER CA C 37 56.780 56.872 -0.092 1
1 365 . 12 1 1 A 37 37 SER CB C 37 66.444 66.771 -0.327 1
1 366 . 12 1 1 A 37 37 SER N N 37 110.125 112.420 -2.295 1
1 367 . 12 1 1 A 38 38 THR H H 38 8.099 7.575 0.524 1
1 368 . 12 1 1 A 38 38 THR HA H 38 3.627 3.643 -0.016 1
1 373 . 12 1 1 A 38 38 THR CA C 38 65.831 65.280 0.551 1
1 374 . 12 1 1 A 38 38 THR CB C 38 68.118 69.069 -0.951 1
1 376 . 12 1 1 A 38 38 THR N N 38 121.696 116.639 5.057 1
1 377 . 12 1 1 A 39 39 ALA HA H 39 4.155 3.898 0.257 1
1 381 . 12 1 1 A 39 39 ALA C C 39 180.623 179.660 0.963 1
1 382 . 12 1 1 A 39 39 ALA CA C 39 55.406 55.333 0.073 1
1 383 . 12 1 1 A 39 39 ALA CB C 39 18.098 18.419 -0.321 1
1 384 . 12 1 1 A 40 40 GLU H H 40 7.881 7.909 -0.028 1
1 385 . 12 1 1 A 40 40 GLU HA H 40 4.114 4.042 0.072 1
1 390 . 12 1 1 A 40 40 GLU C C 40 179.352 179.029 0.323 1
1 391 . 12 1 1 A 40 40 GLU CA C 40 58.914 59.192 -0.278 1
1 392 . 12 1 1 A 40 40 GLU CB C 40 30.822 30.193 0.629 1
1 394 . 12 1 1 A 40 40 GLU N N 40 118.475 118.229 0.246 1
1 395 . 12 1 1 A 41 41 LEU H H 41 8.096 7.615 0.481 1
1 396 . 12 1 1 A 41 41 LEU HA H 41 4.115 4.117 -0.002 1
1 406 . 12 1 1 A 41 41 LEU C C 41 177.620 178.841 -1.221 1
1 407 . 12 1 1 A 41 41 LEU CA C 41 58.841 58.092 0.749 1
1 408 . 12 1 1 A 41 41 LEU CB C 41 41.442 41.640 -0.198 1
1 412 . 12 1 1 A 41 41 LEU N N 41 121.715 122.089 -0.374 1
1 413 . 12 1 1 A 42 42 THR H H 42 8.599 8.218 0.381 1
1 414 . 12 1 1 A 42 42 THR HA H 42 3.860 3.949 -0.089 1
1 419 . 12 1 1 A 42 42 THR C C 42 176.761 176.314 0.447 1
1 420 . 12 1 1 A 42 42 THR CA C 42 67.345 66.100 1.245 1
1 421 . 12 1 1 A 42 42 THR CB C 42 68.758 68.741 0.017 1
1 423 . 12 1 1 A 42 42 THR N N 42 115.801 115.307 0.494 1
1 424 . 12 1 1 A 43 43 SER H H 43 7.833 7.800 0.033 1
1 425 . 12 1 1 A 43 43 SER HA H 43 4.251 4.198 0.053 1
1 428 . 12 1 1 A 43 43 SER C C 43 176.836 176.202 0.634 1
1 429 . 12 1 1 A 43 43 SER CA C 43 61.646 61.963 -0.317 1
1 430 . 12 1 1 A 43 43 SER CB C 43 62.750 63.432 -0.682 1
1 431 . 12 1 1 A 43 43 SER N N 43 115.657 117.600 -1.943 1
1 432 . 12 1 1 A 44 44 HIS H H 44 8.415 8.283 0.132 1
1 433 . 12 1 1 A 44 44 HIS HA H 44 4.182 4.160 0.022 1
1 438 . 12 1 1 A 44 44 HIS C C 44 177.125 176.782 0.343 1
1 439 . 12 1 1 A 44 44 HIS CA C 44 60.094 60.098 -0.004 1
1 440 . 12 1 1 A 44 44 HIS CB C 44 28.846 29.985 -1.139 1
1 443 . 12 1 1 A 44 44 HIS N N 44 122.271 122.201 0.070 1
1 444 . 12 1 1 A 45 45 LEU H H 45 8.854 8.902 -0.048 1
1 445 . 12 1 1 A 45 45 LEU HA H 45 4.100 3.619 0.481 1
1 455 . 12 1 1 A 45 45 LEU C C 45 179.448 178.690 0.758 1
1 456 . 12 1 1 A 45 45 LEU CA C 45 58.297 58.304 -0.007 1
1 457 . 12 1 1 A 45 45 LEU CB C 45 41.666 41.133 0.533 1
1 461 . 12 1 1 A 45 45 LEU N N 45 118.289 119.656 -1.367 1
1 462 . 12 1 1 A 46 46 ASN H H 46 7.730 8.333 -0.603 1
1 463 . 12 1 1 A 46 46 ASN HA H 46 4.502 4.363 0.139 1
1 468 . 12 1 1 A 46 46 ASN C C 46 177.759 177.989 -0.230 1
1 469 . 12 1 1 A 46 46 ASN CA C 46 56.163 56.400 -0.237 1
1 470 . 12 1 1 A 46 46 ASN CB C 46 38.069 37.859 0.210 1
1 471 . 12 1 1 A 46 46 ASN N N 46 117.155 116.400 0.755 1
1 473 . 12 1 1 A 47 47 ILE H H 47 7.670 7.992 -0.322 1
1 474 . 12 1 1 A 47 47 ILE HA H 47 3.787 3.565 0.222 1
1 484 . 12 1 1 A 47 47 ILE C C 47 178.447 178.243 0.204 1
1 485 . 12 1 1 A 47 47 ILE CA C 47 64.273 65.207 -0.934 1
1 486 . 12 1 1 A 47 47 ILE CB C 47 37.214 37.873 -0.659 1
1 490 . 12 1 1 A 47 47 ILE N N 47 119.392 119.783 -0.391 1
1 491 . 12 1 1 A 48 48 HIS H H 48 6.999 8.066 -1.067 1
1 492 . 12 1 1 A 48 48 HIS HA H 48 4.437 4.178 0.259 1
1 497 . 12 1 1 A 48 48 HIS C C 48 175.932 177.658 -1.726 1
1 498 . 12 1 1 A 48 48 HIS CA C 48 56.855 59.788 -2.933 1
1 499 . 12 1 1 A 48 48 HIS CB C 48 27.971 29.841 -1.870 1
1 502 . 12 1 1 A 48 48 HIS N N 48 116.931 118.996 -2.065 1
1 503 . 12 1 1 A 49 49 ASN H H 49 8.059 7.845 0.214 1
1 504 . 12 1 1 A 49 49 ASN HA H 49 4.555 4.231 0.324 1
1 509 . 12 1 1 A 49 49 ASN C C 49 177.139 178.127 -0.988 1
1 510 . 12 1 1 A 49 49 ASN CA C 49 55.552 56.325 -0.773 1
1 511 . 12 1 1 A 49 49 ASN CB C 49 38.495 38.258 0.237 1
1 512 . 12 1 1 A 49 49 ASN N N 49 118.208 116.917 1.291 1
1 514 . 12 1 1 A 50 50 GLU H H 50 8.336 8.334 0.002 1
1 515 . 12 1 1 A 50 50 GLU HA H 50 4.090 3.992 0.098 1
1 520 . 12 1 1 A 50 50 GLU C C 50 178.637 179.376 -0.739 1
1 521 . 12 1 1 A 50 50 GLU CA C 50 59.246 59.508 -0.262 1
1 522 . 12 1 1 A 50 50 GLU CB C 50 29.582 29.234 0.348 1
1 524 . 12 1 1 A 50 50 GLU N N 50 121.316 120.046 1.270 1
1 525 . 12 1 1 A 51 51 GLU H H 51 7.932 8.621 -0.689 1
1 526 . 12 1 1 A 51 51 GLU HA H 51 4.093 4.056 0.037 1
1 531 . 12 1 1 A 51 51 GLU C C 51 179.088 178.901 0.187 1
1 532 . 12 1 1 A 51 51 GLU CA C 51 59.037 59.552 -0.515 1
1 533 . 12 1 1 A 51 51 GLU CB C 51 29.183 29.582 -0.399 1
1 535 . 12 1 1 A 51 51 GLU N N 51 120.058 119.826 0.232 1
1 536 . 12 1 1 A 52 52 PHE H H 52 8.345 8.508 -0.163 1
1 537 . 12 1 1 A 52 52 PHE HA H 52 4.411 4.033 0.378 1
1 545 . 12 1 1 A 52 52 PHE C C 52 178.654 177.682 0.972 1
1 546 . 12 1 1 A 52 52 PHE CA C 52 59.523 61.670 -2.147 1
1 547 . 12 1 1 A 52 52 PHE CB C 52 38.261 39.476 -1.215 1
1 553 . 12 1 1 A 52 52 PHE N N 52 119.698 121.270 -1.572 1
1 554 . 12 1 1 A 53 53 GLN H H 53 8.197 7.975 0.222 1
1 555 . 12 1 1 A 53 53 GLN HA H 53 4.153 4.092 0.061 1
1 562 . 12 1 1 A 53 53 GLN C C 53 178.059 178.088 -0.029 1
1 563 . 12 1 1 A 53 53 GLN CA C 53 58.120 59.312 -1.192 1
1 564 . 12 1 1 A 53 53 GLN CB C 53 28.591 28.739 -0.148 1
1 566 . 12 1 1 A 53 53 GLN N N 53 118.967 118.837 0.130 1
1 568 . 12 1 1 A 54 54 LYS H H 54 8.008 8.013 -0.005 1
1 569 . 12 1 1 A 54 54 LYS HA H 54 4.118 3.967 0.151 1
1 577 . 12 1 1 A 54 54 LYS C C 54 178.686 178.919 -0.233 1
1 578 . 12 1 1 A 54 54 LYS CA C 54 59.002 59.482 -0.480 1
1 579 . 12 1 1 A 54 54 LYS CB C 54 32.608 32.315 0.293 1
1 583 . 12 1 1 A 54 54 LYS N N 54 119.791 120.711 -0.920 1
1 584 . 12 1 1 A 55 55 ARG H H 55 7.978 8.016 -0.038 1
1 585 . 12 1 1 A 55 55 ARG HA H 55 4.136 4.065 0.071 1
1 592 . 12 1 1 A 55 55 ARG C C 55 177.610 175.711 1.899 1
1 593 . 12 1 1 A 55 55 ARG CA C 55 58.183 58.681 -0.498 1
1 594 . 12 1 1 A 55 55 ARG CB C 55 30.410 30.118 0.292 1
1 597 . 12 1 1 A 55 55 ARG N N 55 119.619 119.174 0.445 1
1 598 . 12 1 1 A 56 56 ALA H H 56 8.008 8.033 -0.025 1
1 599 . 12 1 1 A 56 56 ALA HA H 56 4.196 4.015 0.181 1
1 603 . 12 1 1 A 56 56 ALA C C 56 179.269 175.340 3.929 1
1 604 . 12 1 1 A 56 56 ALA CA C 56 53.930 53.077 0.853 1
1 605 . 12 1 1 A 56 56 ALA CB C 56 18.539 16.974 1.565 1
1 606 . 12 1 1 A 56 56 ALA N N 56 122.850 120.694 2.156 1
1 607 . 12 1 1 A 57 57 LYS H H 57 8.014 7.465 0.549 1
1 608 . 12 1 1 A 57 57 LYS HA H 57 4.225 4.720 -0.495 1
1 617 . 12 1 1 A 57 57 LYS C C 57 177.892 175.268 2.624 1
1 618 . 12 1 1 A 57 57 LYS CA C 57 57.504 54.249 3.255 1
1 619 . 12 1 1 A 57 57 LYS CB C 57 32.646 34.812 -2.166 1
1 623 . 12 1 1 A 57 57 LYS N N 57 118.986 116.646 2.340 1
1 624 . 12 1 1 A 58 58 ARG H H 58 8.039 8.545 -0.506 1
1 625 . 12 1 1 A 58 58 ARG HA H 58 4.229 4.265 -0.036 1
1 632 . 12 1 1 A 58 58 ARG C C 58 177.156 176.224 0.932 1
1 633 . 12 1 1 A 58 58 ARG CA C 58 57.425 56.020 1.405 1
1 634 . 12 1 1 A 58 58 ARG CB C 58 30.561 30.909 -0.348 1
1 637 . 12 1 1 A 58 58 ARG N N 58 120.747 126.460 -5.713 1
1 638 . 12 1 1 A 59 59 GLN H H 59 8.195 8.934 -0.739 1
1 639 . 12 1 1 A 59 59 GLN HA H 59 4.228 3.826 0.402 1
1 644 . 12 1 1 A 59 59 GLN CA C 59 57.412 56.772 0.640 1
1 645 . 12 1 1 A 59 59 GLN CB C 59 32.773 26.655 6.118 1
1 647 . 12 1 1 A 59 59 GLN N N 59 121.145 118.164 2.981 1
1 648 . 12 1 1 A 60 60 GLU HA H 60 4.256 4.797 -0.541 1
1 653 . 12 1 1 A 60 60 GLU CA C 60 56.093 56.258 -0.165 1
1 654 . 12 1 1 A 60 60 GLU CB C 60 29.429 31.910 -2.481 1
1 656 . 12 1 1 A 63 63 LYS HA H 63 4.263 4.823 -0.560 1
1 663 . 12 1 1 A 63 63 LYS CA C 63 56.908 56.134 0.774 1
1 664 . 12 1 1 A 63 63 LYS CB C 63 32.778 36.522 -3.744 1
1 665 . 12 1 1 A 64 64 GLN H H 64 8.261 8.842 -0.581 1
1 666 . 12 1 1 A 64 64 GLN HA H 64 4.253 5.130 -0.877 1
1 673 . 12 1 1 A 64 64 GLN C C 64 176.687 174.447 2.240 1
1 674 . 12 1 1 A 64 64 GLN CA C 64 56.780 54.732 2.048 1
1 675 . 12 1 1 A 64 64 GLN CB C 64 29.198 31.019 -1.821 1
1 677 . 12 1 1 A 64 64 GLN N N 64 120.299 124.899 -4.600 1
1 679 . 12 1 1 A 65 65 LEU H H 65 8.190 8.799 -0.609 1
1 680 . 12 1 1 A 65 65 LEU HA H 65 4.306 4.801 -0.495 1
1 690 . 12 1 1 A 65 65 LEU C C 65 177.894 176.286 1.608 1
1 691 . 12 1 1 A 65 65 LEU CA C 65 55.952 53.731 2.221 1
1 692 . 12 1 1 A 65 65 LEU CB C 65 42.313 45.516 -3.203 1
1 696 . 12 1 1 A 65 65 LEU N N 65 122.723 124.703 -1.980 1
1 697 . 12 1 1 A 66 66 LEU H H 66 8.165 8.613 -0.448 1
1 698 . 12 1 1 A 66 66 LEU HA H 66 4.305 4.154 0.151 1
1 708 . 12 1 1 A 66 66 LEU C C 66 177.867 177.038 0.829 1
1 709 . 12 1 1 A 66 66 LEU CA C 66 55.775 55.956 -0.181 1
1 710 . 12 1 1 A 66 66 LEU CB C 66 42.336 41.852 0.484 1
1 714 . 12 1 1 A 66 66 LEU N N 66 121.812 126.574 -4.762 1
1 715 . 12 1 1 A 67 67 SER H H 67 8.104 8.362 -0.258 1
1 716 . 12 1 1 A 67 67 SER CA C 67 58.896 56.993 1.903 1
1 717 . 12 1 1 A 67 67 SER CB C 67 63.674 64.506 -0.832 1
1 718 . 12 1 1 A 67 67 SER N N 67 115.632 119.596 -3.964 1
1 719 . 12 1 1 A 69 69 GLN HA H 69 4.221 4.325 -0.104 1
1 724 . 12 1 1 A 69 69 GLN CA C 69 57.547 55.316 2.231 1
1 725 . 12 1 1 A 69 69 GLN CB C 69 30.314 29.774 0.540 1
1 727 . 12 1 1 A 70 70 LYS H H 70 8.255 8.379 -0.124 1
1 728 . 12 1 1 A 70 70 LYS HA H 70 4.220 4.513 -0.293 1
1 737 . 12 1 1 A 70 70 LYS C C 70 176.303 176.740 -0.437 1
1 738 . 12 1 1 A 70 70 LYS CA C 70 56.639 57.370 -0.731 1
1 739 . 12 1 1 A 70 70 LYS CB C 70 33.080 34.162 -1.082 1
1 743 . 12 1 1 A 70 70 LYS N N 70 121.417 119.862 1.555 1
1 744 . 12 1 1 A 71 71 TYR H H 71 8.142 7.579 0.563 1
1 745 . 12 1 1 A 71 71 TYR HA H 71 4.571 4.810 -0.239 1
1 752 . 12 1 1 A 71 71 TYR C C 71 175.736 176.163 -0.427 1
1 753 . 12 1 1 A 71 71 TYR CA C 71 57.768 57.725 0.043 1
1 754 . 12 1 1 A 71 71 TYR CB C 71 38.894 38.810 0.084 1
1 759 . 12 1 1 A 71 71 TYR N N 71 120.561 118.546 2.015 1
1 760 . 12 1 1 A 72 72 ALA H H 72 8.237 7.826 0.411 1
1 761 . 12 1 1 A 72 72 ALA HA H 72 4.292 3.920 0.372 1
1 765 . 12 1 1 A 72 72 ALA C C 72 177.276 178.961 -1.685 1
1 766 . 12 1 1 A 72 72 ALA CA C 72 52.642 55.291 -2.649 1
1 767 . 12 1 1 A 72 72 ALA CB C 72 19.405 18.491 0.914 1
1 768 . 12 1 1 A 72 72 ALA N N 72 125.192 124.123 1.069 1
1 769 . 12 1 1 A 73 73 ASP H H 73 8.220 7.799 0.421 1
1 770 . 12 1 1 A 73 73 ASP HA H 73 4.549 4.910 -0.361 1
1 773 . 12 1 1 A 73 73 ASP C C 73 176.922 178.396 -1.474 1
1 774 . 12 1 1 A 73 73 ASP CA C 73 54.682 55.557 -0.875 1
1 775 . 12 1 1 A 73 73 ASP CB C 73 41.239 42.632 -1.393 1
1 776 . 12 1 1 A 73 73 ASP N N 73 119.269 118.333 0.936 1
1 777 . 12 1 1 A 74 74 GLY H H 74 8.269 8.522 -0.253 1
1 778 . 12 1 1 A 74 74 GLY HA2 H 74 3.963 3.852 0.111 1
1 779 . 12 1 1 A 74 74 GLY HA3 H 74 3.879 3.862 0.017 1
1 780 . 12 1 1 A 74 74 GLY C C 74 174.132 175.390 -1.258 1
1 781 . 12 1 1 A 74 74 GLY CA C 74 45.551 47.181 -1.630 1
1 782 . 12 1 1 A 74 74 GLY N N 74 109.209 107.909 1.300 1
1 783 . 12 1 1 A 75 75 ALA H H 75 8.048 8.090 -0.042 1
1 784 . 12 1 1 A 75 75 ALA HA H 75 4.221 4.442 -0.221 1
1 788 . 12 1 1 A 75 75 ALA C C 75 177.507 176.811 0.696 1
1 789 . 12 1 1 A 75 75 ALA CA C 75 52.638 52.668 -0.030 1
1 790 . 12 1 1 A 75 75 ALA CB C 75 19.281 19.174 0.107 1
1 791 . 12 1 1 A 75 75 ALA N N 75 123.382 125.355 -1.973 1
1 792 . 12 1 1 A 76 76 PHE H H 76 8.126 8.984 -0.858 1
1 793 . 12 1 1 A 76 76 PHE HA H 76 4.541 5.570 -1.029 1
1 798 . 12 1 1 A 76 76 PHE C C 76 175.620 174.151 1.469 1
1 799 . 12 1 1 A 76 76 PHE CA C 76 57.733 55.444 2.289 1
1 800 . 12 1 1 A 76 76 PHE CB C 76 39.429 40.285 -0.856 1
1 801 . 12 1 1 A 76 76 PHE N N 76 118.540 119.700 -1.160 1
1 802 . 12 1 1 A 77 77 ALA H H 77 8.017 9.186 -1.169 1
1 803 . 12 1 1 A 77 77 ALA HA H 77 4.207 5.096 -0.889 1
1 807 . 12 1 1 A 77 77 ALA C C 77 176.990 175.478 1.512 1
1 808 . 12 1 1 A 77 77 ALA CA C 77 52.602 50.272 2.330 1
1 809 . 12 1 1 A 77 77 ALA CB C 77 19.528 23.745 -4.217 1
1 810 . 12 1 1 A 77 77 ALA N N 77 124.826 126.090 -1.264 1
1 811 . 12 1 1 A 78 78 ASP H H 78 8.061 9.065 -1.004 1
1 812 . 12 1 1 A 78 78 ASP HA H 78 4.538 5.789 -1.251 1
1 815 . 12 1 1 A 78 78 ASP C C 78 175.908 174.825 1.083 1
1 816 . 12 1 1 A 78 78 ASP CA C 78 54.189 51.985 2.204 1
1 817 . 12 1 1 A 78 78 ASP CB C 78 41.242 45.288 -4.046 1
1 818 . 12 1 1 A 78 78 ASP N N 78 119.019 117.045 1.974 1
1 819 . 12 1 1 A 79 79 PHE H H 79 8.023 8.547 -0.524 1
1 820 . 12 1 1 A 79 79 PHE HA H 79 4.586 4.939 -0.353 1
1 825 . 12 1 1 A 79 79 PHE C C 79 175.551 172.334 3.217 1
1 826 . 12 1 1 A 79 79 PHE CA C 79 57.891 56.690 1.201 1
1 827 . 12 1 1 A 79 79 PHE CB C 79 39.484 40.922 -1.438 1
1 828 . 12 1 1 A 79 79 PHE N N 79 120.449 116.097 4.352 1
1 829 . 12 1 1 A 80 80 LYS H H 80 8.161 8.533 -0.372 1
1 830 . 12 1 1 A 80 80 LYS HA H 80 4.251 4.508 -0.257 1
1 836 . 12 1 1 A 80 80 LYS C C 80 176.027 175.967 0.060 1
1 837 . 12 1 1 A 80 80 LYS CA C 80 56.233 56.206 0.027 1
1 838 . 12 1 1 A 80 80 LYS CB C 80 33.084 33.402 -0.318 1
1 842 . 12 1 1 A 80 80 LYS N N 80 123.309 122.057 1.252 1
1 843 . 12 1 1 A 81 81 GLN H H 81 8.329 8.904 -0.575 1
1 844 . 12 1 1 A 81 81 GLN HA H 81 4.284 5.300 -1.016 1
1 851 . 12 1 1 A 81 81 GLN C C 81 176.009 174.515 1.494 1
1 852 . 12 1 1 A 81 81 GLN CA C 81 55.952 53.710 2.242 1
1 853 . 12 1 1 A 81 81 GLN CB C 81 29.623 33.036 -3.413 1
1 855 . 12 1 1 A 81 81 GLN N N 81 121.944 122.535 -0.591 1
1 857 . 12 1 1 A 82 82 GLU H H 82 8.542 8.640 -0.098 1
1 858 . 12 1 1 A 82 82 GLU HA H 82 4.350 4.969 -0.619 1
1 862 . 12 1 1 A 82 82 GLU C C 82 176.509 175.590 0.919 1
1 863 . 12 1 1 A 82 82 GLU CA C 82 56.675 54.987 1.688 1
1 864 . 12 1 1 A 82 82 GLU CB C 82 30.447 34.233 -3.786 1
1 866 . 12 1 1 A 82 82 GLU N N 82 122.687 120.398 2.289 1
1 867 . 12 1 1 A 83 83 SER H H 83 8.418 8.996 -0.578 1
1 868 . 12 1 1 A 83 83 SER HA H 83 4.516 4.737 -0.221 1
1 871 . 12 1 1 A 83 83 SER C C 83 174.538 175.296 -0.758 1
1 872 . 12 1 1 A 83 83 SER CA C 83 58.403 59.287 -0.884 1
1 873 . 12 1 1 A 83 83 SER CB C 83 64.018 64.928 -0.910 1
1 874 . 12 1 1 A 83 83 SER N N 83 116.897 118.275 -1.378 1
1 875 . 12 1 1 A 84 84 GLY H H 84 8.276 7.928 0.348 1
1 876 . 12 1 1 A 84 84 GLY C C 84 171.814 173.208 -1.394 1
1 877 . 12 1 1 A 84 84 GLY CA C 84 44.722 44.834 -0.112 1
1 878 . 12 1 1 A 84 84 GLY N N 84 110.673 107.045 3.628 1
1 879 . 12 1 1 A 85 85 PRO HA H 85 4.497 4.650 -0.153 1
1 885 . 12 1 1 A 85 85 PRO C C 85 177.204 175.220 1.984 1
1 886 . 12 1 1 A 85 85 PRO CA C 85 63.290 62.519 0.771 1
1 887 . 12 1 1 A 85 85 PRO CB C 85 32.228 33.381 -1.153 1
1 890 . 12 1 1 A 86 86 SER H H 86 8.331 8.649 -0.318 1
1 891 . 12 1 1 A 86 86 SER HA H 86 4.339 5.078 -0.739 1
1 892 . 12 1 1 A 86 86 SER C C 86 174.935 172.064 2.871 1
1 893 . 12 1 1 A 86 86 SER CA C 86 61.769 57.322 4.447 1
1 894 . 12 1 1 A 86 86 SER CB C 86 69.836 65.807 4.029 1
1 895 . 12 1 1 A 86 86 SER N N 86 114.681 116.356 -1.675 1
1 896 . 12 1 1 A 87 87 SER H H 87 8.121 8.631 -0.510 1
1 897 . 12 1 1 A 87 87 SER CA C 87 61.963 57.154 4.809 1
1 898 . 12 1 1 A 87 87 SER CB C 87 69.818 65.871 3.947 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.975 4.223 -0.248 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.975 4.224 -0.249 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.115 174.512 -0.397 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.392 45.428 -0.036 1
1 5 . 13 1 1 A 8 8 LEU H H 8 8.037 8.128 -0.091 1
1 6 . 13 1 1 A 8 8 LEU HA H 8 4.347 4.599 -0.252 1
1 16 . 13 1 1 A 8 8 LEU C C 8 177.426 176.811 0.615 1
1 17 . 13 1 1 A 8 8 LEU CA C 8 55.352 56.671 -1.319 1
1 18 . 13 1 1 A 8 8 LEU CB C 8 42.478 44.257 -1.779 1
1 22 . 13 1 1 A 8 8 LEU N N 8 121.686 123.114 -1.428 1
1 23 . 13 1 1 A 9 9 LYS H H 9 8.309 7.677 0.632 1
1 24 . 13 1 1 A 9 9 LYS HA H 9 4.319 4.090 0.229 1
1 29 . 13 1 1 A 9 9 LYS CA C 9 56.195 57.392 -1.197 1
1 30 . 13 1 1 A 9 9 LYS CB C 9 32.820 33.142 -0.322 1
1 34 . 13 1 1 A 9 9 LYS N N 9 122.335 119.678 2.657 1
1 35 . 13 1 1 A 10 10 ARG HA H 10 4.306 4.892 -0.586 1
1 42 . 13 1 1 A 10 10 ARG C C 10 175.845 173.683 2.162 1
1 43 . 13 1 1 A 10 10 ARG CA C 10 56.146 55.599 0.547 1
1 44 . 13 1 1 A 10 10 ARG CB C 10 31.005 34.106 -3.101 1
1 47 . 13 1 1 A 11 11 ASP H H 11 8.293 8.908 -0.615 1
1 48 . 13 1 1 A 11 11 ASP HA H 11 4.582 5.511 -0.929 1
1 51 . 13 1 1 A 11 11 ASP C C 11 175.382 174.648 0.734 1
1 52 . 13 1 1 A 11 11 ASP CA C 11 54.612 52.781 1.831 1
1 53 . 13 1 1 A 11 11 ASP CB C 11 41.572 45.686 -4.114 1
1 54 . 13 1 1 A 11 11 ASP N N 11 120.563 123.857 -3.294 1
1 55 . 13 1 1 A 12 12 PHE H H 12 7.961 8.852 -0.891 1
1 56 . 13 1 1 A 12 12 PHE HA H 12 4.758 5.550 -0.792 1
1 63 . 13 1 1 A 12 12 PHE C C 12 175.068 172.787 2.281 1
1 64 . 13 1 1 A 12 12 PHE CA C 12 58.990 55.876 3.114 1
1 65 . 13 1 1 A 12 12 PHE CB C 12 40.037 42.489 -2.452 1
1 70 . 13 1 1 A 12 12 PHE N N 12 118.808 116.260 2.548 1
1 71 . 13 1 1 A 13 13 ILE H H 13 8.167 8.961 -0.794 1
1 72 . 13 1 1 A 13 13 ILE HA H 13 4.167 4.897 -0.730 1
1 82 . 13 1 1 A 13 13 ILE C C 13 175.712 174.610 1.102 1
1 83 . 13 1 1 A 13 13 ILE CA C 13 60.976 59.303 1.673 1
1 84 . 13 1 1 A 13 13 ILE CB C 13 39.277 42.305 -3.028 1
1 88 . 13 1 1 A 13 13 ILE N N 13 122.190 116.477 5.713 1
1 89 . 13 1 1 A 14 14 ILE H H 14 8.287 8.770 -0.483 1
1 90 . 13 1 1 A 14 14 ILE HA H 14 4.163 4.841 -0.678 1
1 100 . 13 1 1 A 14 14 ILE C C 14 176.116 174.839 1.277 1
1 101 . 13 1 1 A 14 14 ILE CA C 14 61.142 59.887 1.255 1
1 102 . 13 1 1 A 14 14 ILE CB C 14 38.438 42.390 -3.952 1
1 106 . 13 1 1 A 14 14 ILE N N 14 125.550 123.416 2.134 1
1 107 . 13 1 1 A 15 15 LEU H H 15 8.398 8.898 -0.500 1
1 108 . 13 1 1 A 15 15 LEU HA H 15 4.397 5.194 -0.797 1
1 118 . 13 1 1 A 15 15 LEU C C 15 177.749 176.039 1.710 1
1 119 . 13 1 1 A 15 15 LEU CA C 15 55.123 52.937 2.186 1
1 120 . 13 1 1 A 15 15 LEU CB C 15 42.560 44.118 -1.558 1
1 124 . 13 1 1 A 15 15 LEU N N 15 127.408 126.567 0.841 1
1 125 . 13 1 1 A 16 16 GLY H H 16 8.347 8.512 -0.165 1
1 126 . 13 1 1 A 16 16 GLY HA2 H 16 3.964 4.406 -0.442 1
1 127 . 13 1 1 A 16 16 GLY HA3 H 16 3.964 4.409 -0.445 1
1 128 . 13 1 1 A 16 16 GLY C C 16 172.979 172.193 0.786 1
1 129 . 13 1 1 A 16 16 GLY CA C 16 45.286 45.022 0.264 1
1 130 . 13 1 1 A 16 16 GLY N N 16 109.546 111.769 -2.223 1
1 131 . 13 1 1 A 17 17 ASN H H 17 7.974 8.953 -0.979 1
1 132 . 13 1 1 A 17 17 ASN HA H 17 4.577 5.375 -0.798 1
1 137 . 13 1 1 A 17 17 ASN C C 17 175.869 173.115 2.754 1
1 138 . 13 1 1 A 17 17 ASN CA C 17 54.665 51.695 2.970 1
1 139 . 13 1 1 A 17 17 ASN CB C 17 40.830 42.201 -1.371 1
1 140 . 13 1 1 A 17 17 ASN N N 17 124.057 119.116 4.941 1
1 142 . 13 1 1 A 18 18 GLY H H 18 8.150 8.616 -0.466 1
1 143 . 13 1 1 A 18 18 GLY HA2 H 18 4.073 4.339 -0.266 1
1 144 . 13 1 1 A 18 18 GLY HA3 H 18 4.073 4.339 -0.266 1
1 145 . 13 1 1 A 18 18 GLY C C 18 172.372 172.636 -0.264 1
1 146 . 13 1 1 A 18 18 GLY CA C 18 44.898 44.461 0.437 1
1 147 . 13 1 1 A 18 18 GLY N N 18 113.988 106.384 7.604 1
1 148 . 13 1 1 A 19 19 PRO HA H 19 4.441 4.754 -0.313 1
1 155 . 13 1 1 A 19 19 PRO C C 19 177.039 177.038 0.001 1
1 156 . 13 1 1 A 19 19 PRO CA C 19 63.268 62.753 0.515 1
1 157 . 13 1 1 A 19 19 PRO CB C 19 32.159 31.540 0.619 1
1 160 . 13 1 1 A 20 20 ARG H H 20 8.414 8.419 -0.005 1
1 161 . 13 1 1 A 20 20 ARG HA H 20 4.339 4.501 -0.162 1
1 167 . 13 1 1 A 20 20 ARG C C 20 176.312 176.570 -0.258 1
1 168 . 13 1 1 A 20 20 ARG CA C 20 56.111 55.978 0.133 1
1 169 . 13 1 1 A 20 20 ARG CB C 20 30.612 31.282 -0.670 1
1 172 . 13 1 1 A 20 20 ARG N N 20 120.839 123.520 -2.681 1
1 173 . 13 1 1 A 21 21 LEU H H 21 8.306 8.403 -0.097 1
1 174 . 13 1 1 A 21 21 LEU HA H 21 4.405 4.162 0.243 1
1 183 . 13 1 1 A 21 21 LEU C C 21 177.403 176.174 1.229 1
1 184 . 13 1 1 A 21 21 LEU CA C 21 55.141 55.468 -0.327 1
1 185 . 13 1 1 A 21 21 LEU CB C 21 42.190 41.415 0.775 1
1 189 . 13 1 1 A 21 21 LEU N N 21 123.561 121.759 1.802 1
1 190 . 13 1 1 A 22 22 GLN H H 22 8.406 8.684 -0.278 1
1 191 . 13 1 1 A 22 22 GLN HA H 22 4.336 4.710 -0.374 1
1 198 . 13 1 1 A 22 22 GLN C C 22 175.699 174.454 1.245 1
1 199 . 13 1 1 A 22 22 GLN CA C 22 56.181 54.959 1.222 1
1 200 . 13 1 1 A 22 22 GLN CB C 22 29.492 28.695 0.797 1
1 202 . 13 1 1 A 22 22 GLN N N 22 120.835 125.847 -5.012 1
1 204 . 13 1 1 A 24 24 SER HA H 24 4.451 4.979 -0.528 1
1 207 . 13 1 1 A 24 24 SER C C 24 173.514 173.689 -0.175 1
1 208 . 13 1 1 A 24 24 SER CA C 24 58.579 56.650 1.929 1
1 209 . 13 1 1 A 24 24 SER CB C 24 63.967 64.254 -0.287 1
1 210 . 13 1 1 A 25 25 THR H H 25 7.806 8.778 -0.972 1
1 211 . 13 1 1 A 25 25 THR HA H 25 4.348 5.798 -1.450 1
1 216 . 13 1 1 A 25 25 THR C C 25 173.359 173.138 0.221 1
1 217 . 13 1 1 A 25 25 THR CA C 25 61.593 59.285 2.308 1
1 218 . 13 1 1 A 25 25 THR CB C 25 70.716 71.888 -1.172 1
1 220 . 13 1 1 A 25 25 THR N N 25 114.185 117.971 -3.786 1
1 221 . 13 1 1 A 26 26 TYR H H 26 8.598 9.384 -0.786 1
1 222 . 13 1 1 A 26 26 TYR HA H 26 4.670 5.130 -0.460 1
1 229 . 13 1 1 A 26 26 TYR C C 26 174.444 175.247 -0.803 1
1 230 . 13 1 1 A 26 26 TYR CA C 26 56.798 56.377 0.421 1
1 231 . 13 1 1 A 26 26 TYR CB C 26 39.717 40.043 -0.326 1
1 236 . 13 1 1 A 26 26 TYR N N 26 121.326 119.354 1.972 1
1 237 . 13 1 1 A 27 27 GLN H H 27 8.528 8.834 -0.306 1
1 238 . 13 1 1 A 27 27 GLN HA H 27 4.670 4.964 -0.294 1
1 245 . 13 1 1 A 27 27 GLN C C 27 175.055 175.487 -0.432 1
1 246 . 13 1 1 A 27 27 GLN CA C 27 54.718 55.859 -1.141 1
1 247 . 13 1 1 A 27 27 GLN CB C 27 30.938 29.036 1.902 1
1 249 . 13 1 1 A 27 27 GLN N N 27 123.045 124.838 -1.793 1
1 251 . 13 1 1 A 28 28 CYS H H 28 8.682 8.418 0.264 1
1 252 . 13 1 1 A 28 28 CYS HA H 28 4.331 4.555 -0.224 1
1 255 . 13 1 1 A 28 28 CYS C C 28 176.610 176.838 -0.228 1
1 256 . 13 1 1 A 28 28 CYS CA C 28 60.394 60.125 0.269 1
1 257 . 13 1 1 A 28 28 CYS CB C 28 29.850 28.525 1.325 1
1 258 . 13 1 1 A 28 28 CYS N N 28 129.276 125.711 3.565 1
1 259 . 13 1 1 A 29 29 LYS H H 29 8.454 8.522 -0.068 1
1 260 . 13 1 1 A 29 29 LYS HA H 29 4.257 4.322 -0.065 1
1 269 . 13 1 1 A 29 29 LYS C C 29 176.581 175.652 0.929 1
1 270 . 13 1 1 A 29 29 LYS CA C 29 57.584 57.469 0.115 1
1 271 . 13 1 1 A 29 29 LYS CB C 29 32.145 32.010 0.135 1
1 275 . 13 1 1 A 29 29 LYS N N 29 127.445 123.241 4.204 1
1 276 . 13 1 1 A 30 30 HIS H H 30 9.625 8.038 1.587 1
1 277 . 13 1 1 A 30 30 HIS HA H 30 4.608 4.558 0.050 1
1 281 . 13 1 1 A 30 30 HIS C C 30 175.524 176.538 -1.014 1
1 282 . 13 1 1 A 30 30 HIS CA C 30 56.956 57.089 -0.133 1
1 283 . 13 1 1 A 30 30 HIS CB C 30 30.732 31.432 -0.700 1
1 285 . 13 1 1 A 30 30 HIS N N 30 121.657 116.665 4.992 1
1 286 . 13 1 1 A 31 31 CYS H H 31 8.086 8.041 0.045 1
1 287 . 13 1 1 A 31 31 CYS HA H 31 5.078 4.594 0.484 1
1 290 . 13 1 1 A 31 31 CYS C C 31 173.769 174.494 -0.725 1
1 291 . 13 1 1 A 31 31 CYS CA C 31 58.349 58.247 0.102 1
1 292 . 13 1 1 A 31 31 CYS CB C 31 31.268 29.731 1.537 1
1 293 . 13 1 1 A 31 31 CYS N N 31 118.457 113.809 4.648 1
1 294 . 13 1 1 A 32 32 ASP H H 32 8.135 8.060 0.075 1
1 295 . 13 1 1 A 32 32 ASP HA H 32 4.637 4.575 0.062 1
1 298 . 13 1 1 A 32 32 ASP C C 32 176.540 174.693 1.847 1
1 299 . 13 1 1 A 32 32 ASP CA C 32 55.687 55.462 0.225 1
1 300 . 13 1 1 A 32 32 ASP CB C 32 40.418 39.011 1.407 1
1 301 . 13 1 1 A 32 32 ASP N N 32 116.820 118.138 -1.318 1
1 302 . 13 1 1 A 33 33 SER H H 33 8.667 7.850 0.817 1
1 303 . 13 1 1 A 33 33 SER HA H 33 4.267 4.653 -0.386 1
1 306 . 13 1 1 A 33 33 SER C C 33 172.462 173.295 -0.833 1
1 307 . 13 1 1 A 33 33 SER CA C 33 61.452 56.560 4.892 1
1 308 . 13 1 1 A 33 33 SER CB C 33 63.893 65.202 -1.309 1
1 309 . 13 1 1 A 33 33 SER N N 33 119.488 112.352 7.136 1
1 310 . 13 1 1 A 34 34 LYS H H 34 8.389 8.328 0.061 1
1 311 . 13 1 1 A 34 34 LYS HA H 34 4.747 5.278 -0.531 1
1 320 . 13 1 1 A 34 34 LYS C C 34 175.517 175.233 0.284 1
1 321 . 13 1 1 A 34 34 LYS CA C 34 55.476 54.810 0.666 1
1 322 . 13 1 1 A 34 34 LYS CB C 34 33.526 35.350 -1.824 1
1 326 . 13 1 1 A 34 34 LYS N N 34 122.954 121.229 1.725 1
1 327 . 13 1 1 A 35 35 LEU H H 35 8.825 8.588 0.237 1
1 328 . 13 1 1 A 35 35 LEU HA H 35 4.847 4.848 -0.001 1
1 338 . 13 1 1 A 35 35 LEU C C 35 177.476 177.244 0.232 1
1 339 . 13 1 1 A 35 35 LEU CA C 35 52.673 53.283 -0.610 1
1 340 . 13 1 1 A 35 35 LEU CB C 35 42.115 44.979 -2.864 1
1 344 . 13 1 1 A 35 35 LEU N N 35 126.489 125.912 0.577 1
1 345 . 13 1 1 A 36 36 GLN H H 36 8.883 8.576 0.307 1
1 346 . 13 1 1 A 36 36 GLN HA H 36 4.565 4.231 0.334 1
1 353 . 13 1 1 A 36 36 GLN C C 36 175.227 176.217 -0.990 1
1 354 . 13 1 1 A 36 36 GLN CA C 36 56.763 58.177 -1.414 1
1 355 . 13 1 1 A 36 36 GLN CB C 36 30.225 29.637 0.588 1
1 357 . 13 1 1 A 36 36 GLN N N 36 116.410 121.307 -4.897 1
1 359 . 13 1 1 A 37 37 SER H H 37 7.345 7.921 -0.576 1
1 360 . 13 1 1 A 37 37 SER HA H 37 4.569 4.341 0.228 1
1 363 . 13 1 1 A 37 37 SER C C 37 179.414 173.927 5.487 1
1 364 . 13 1 1 A 37 37 SER CA C 37 56.780 55.908 0.872 1
1 365 . 13 1 1 A 37 37 SER CB C 37 66.444 65.814 0.630 1
1 366 . 13 1 1 A 37 37 SER N N 37 110.125 112.276 -2.151 1
1 367 . 13 1 1 A 38 38 THR H H 38 8.099 8.408 -0.309 1
1 368 . 13 1 1 A 38 38 THR HA H 38 3.627 3.526 0.101 1
1 373 . 13 1 1 A 38 38 THR CA C 38 65.831 66.123 -0.292 1
1 374 . 13 1 1 A 38 38 THR CB C 38 68.118 68.746 -0.628 1
1 376 . 13 1 1 A 38 38 THR N N 38 121.696 116.198 5.498 1
1 377 . 13 1 1 A 39 39 ALA HA H 39 4.155 4.018 0.137 1
1 381 . 13 1 1 A 39 39 ALA C C 39 180.623 179.610 1.013 1
1 382 . 13 1 1 A 39 39 ALA CA C 39 55.406 55.319 0.087 1
1 383 . 13 1 1 A 39 39 ALA CB C 39 18.098 18.459 -0.361 1
1 384 . 13 1 1 A 40 40 GLU H H 40 7.881 7.688 0.193 1
1 385 . 13 1 1 A 40 40 GLU HA H 40 4.114 4.048 0.066 1
1 390 . 13 1 1 A 40 40 GLU C C 40 179.352 179.234 0.118 1
1 391 . 13 1 1 A 40 40 GLU CA C 40 58.914 59.068 -0.154 1
1 392 . 13 1 1 A 40 40 GLU CB C 40 30.822 29.736 1.086 1
1 394 . 13 1 1 A 40 40 GLU N N 40 118.475 118.120 0.355 1
1 395 . 13 1 1 A 41 41 LEU H H 41 8.096 7.701 0.395 1
1 396 . 13 1 1 A 41 41 LEU HA H 41 4.115 4.109 0.006 1
1 406 . 13 1 1 A 41 41 LEU C C 41 177.620 178.950 -1.330 1
1 407 . 13 1 1 A 41 41 LEU CA C 41 58.841 57.701 1.140 1
1 408 . 13 1 1 A 41 41 LEU CB C 41 41.442 41.751 -0.309 1
1 412 . 13 1 1 A 41 41 LEU N N 41 121.715 122.282 -0.567 1
1 413 . 13 1 1 A 42 42 THR H H 42 8.599 8.297 0.302 1
1 414 . 13 1 1 A 42 42 THR HA H 42 3.860 3.998 -0.138 1
1 419 . 13 1 1 A 42 42 THR C C 42 176.761 176.231 0.530 1
1 420 . 13 1 1 A 42 42 THR CA C 42 67.345 65.942 1.403 1
1 421 . 13 1 1 A 42 42 THR CB C 42 68.758 68.306 0.452 1
1 423 . 13 1 1 A 42 42 THR N N 42 115.801 115.546 0.255 1
1 424 . 13 1 1 A 43 43 SER H H 43 7.833 7.990 -0.157 1
1 425 . 13 1 1 A 43 43 SER HA H 43 4.251 4.306 -0.055 1
1 428 . 13 1 1 A 43 43 SER C C 43 176.836 175.957 0.879 1
1 429 . 13 1 1 A 43 43 SER CA C 43 61.646 61.689 -0.043 1
1 430 . 13 1 1 A 43 43 SER CB C 43 62.750 63.753 -1.003 1
1 431 . 13 1 1 A 43 43 SER N N 43 115.657 117.677 -2.020 1
1 432 . 13 1 1 A 44 44 HIS H H 44 8.415 8.080 0.335 1
1 433 . 13 1 1 A 44 44 HIS HA H 44 4.182 4.303 -0.121 1
1 438 . 13 1 1 A 44 44 HIS C C 44 177.125 177.321 -0.196 1
1 439 . 13 1 1 A 44 44 HIS CA C 44 60.094 59.903 0.191 1
1 440 . 13 1 1 A 44 44 HIS CB C 44 28.846 30.146 -1.300 1
1 443 . 13 1 1 A 44 44 HIS N N 44 122.271 122.268 0.003 1
1 444 . 13 1 1 A 45 45 LEU H H 45 8.854 8.989 -0.135 1
1 445 . 13 1 1 A 45 45 LEU HA H 45 4.100 3.713 0.387 1
1 455 . 13 1 1 A 45 45 LEU C C 45 179.448 178.904 0.544 1
1 456 . 13 1 1 A 45 45 LEU CA C 45 58.297 57.938 0.359 1
1 457 . 13 1 1 A 45 45 LEU CB C 45 41.666 41.279 0.387 1
1 461 . 13 1 1 A 45 45 LEU N N 45 118.289 119.635 -1.346 1
1 462 . 13 1 1 A 46 46 ASN H H 46 7.730 8.440 -0.710 1
1 463 . 13 1 1 A 46 46 ASN HA H 46 4.502 4.419 0.083 1
1 468 . 13 1 1 A 46 46 ASN C C 46 177.759 177.911 -0.152 1
1 469 . 13 1 1 A 46 46 ASN CA C 46 56.163 56.395 -0.232 1
1 470 . 13 1 1 A 46 46 ASN CB C 46 38.069 37.895 0.174 1
1 471 . 13 1 1 A 46 46 ASN N N 46 117.155 116.827 0.328 1
1 473 . 13 1 1 A 47 47 ILE H H 47 7.670 7.570 0.100 1
1 474 . 13 1 1 A 47 47 ILE HA H 47 3.787 3.630 0.157 1
1 484 . 13 1 1 A 47 47 ILE C C 47 178.447 178.371 0.076 1
1 485 . 13 1 1 A 47 47 ILE CA C 47 64.273 65.110 -0.837 1
1 486 . 13 1 1 A 47 47 ILE CB C 47 37.214 37.622 -0.408 1
1 490 . 13 1 1 A 47 47 ILE N N 47 119.392 119.577 -0.185 1
1 491 . 13 1 1 A 48 48 HIS H H 48 6.999 7.817 -0.818 1
1 492 . 13 1 1 A 48 48 HIS HA H 48 4.437 4.254 0.183 1
1 497 . 13 1 1 A 48 48 HIS C C 48 175.932 177.743 -1.811 1
1 498 . 13 1 1 A 48 48 HIS CA C 48 56.855 59.538 -2.683 1
1 499 . 13 1 1 A 48 48 HIS CB C 48 27.971 29.555 -1.584 1
1 502 . 13 1 1 A 48 48 HIS N N 48 116.931 119.463 -2.532 1
1 503 . 13 1 1 A 49 49 ASN H H 49 8.059 8.115 -0.056 1
1 504 . 13 1 1 A 49 49 ASN HA H 49 4.555 4.330 0.225 1
1 509 . 13 1 1 A 49 49 ASN C C 49 177.139 177.788 -0.649 1
1 510 . 13 1 1 A 49 49 ASN CA C 49 55.552 56.480 -0.928 1
1 511 . 13 1 1 A 49 49 ASN CB C 49 38.495 37.802 0.693 1
1 512 . 13 1 1 A 49 49 ASN N N 49 118.208 117.647 0.561 1
1 514 . 13 1 1 A 50 50 GLU H H 50 8.336 8.806 -0.470 1
1 515 . 13 1 1 A 50 50 GLU HA H 50 4.090 4.097 -0.007 1
1 520 . 13 1 1 A 50 50 GLU C C 50 178.637 178.626 0.011 1
1 521 . 13 1 1 A 50 50 GLU CA C 50 59.246 59.414 -0.168 1
1 522 . 13 1 1 A 50 50 GLU CB C 50 29.582 29.219 0.363 1
1 524 . 13 1 1 A 50 50 GLU N N 50 121.316 117.566 3.750 1
1 525 . 13 1 1 A 51 51 GLU H H 51 7.932 7.784 0.148 1
1 526 . 13 1 1 A 51 51 GLU HA H 51 4.093 3.992 0.101 1
1 531 . 13 1 1 A 51 51 GLU C C 51 179.088 179.172 -0.084 1
1 532 . 13 1 1 A 51 51 GLU CA C 51 59.037 58.858 0.179 1
1 533 . 13 1 1 A 51 51 GLU CB C 51 29.183 29.713 -0.530 1
1 535 . 13 1 1 A 51 51 GLU N N 51 120.058 119.938 0.120 1
1 536 . 13 1 1 A 52 52 PHE H H 52 8.345 8.661 -0.316 1
1 537 . 13 1 1 A 52 52 PHE HA H 52 4.411 4.124 0.287 1
1 545 . 13 1 1 A 52 52 PHE C C 52 178.654 177.413 1.241 1
1 546 . 13 1 1 A 52 52 PHE CA C 52 59.523 61.577 -2.054 1
1 547 . 13 1 1 A 52 52 PHE CB C 52 38.261 39.355 -1.094 1
1 553 . 13 1 1 A 52 52 PHE N N 52 119.698 121.260 -1.562 1
1 554 . 13 1 1 A 53 53 GLN H H 53 8.197 8.044 0.153 1
1 555 . 13 1 1 A 53 53 GLN HA H 53 4.153 3.624 0.529 1
1 562 . 13 1 1 A 53 53 GLN C C 53 178.059 178.084 -0.025 1
1 563 . 13 1 1 A 53 53 GLN CA C 53 58.120 59.073 -0.953 1
1 564 . 13 1 1 A 53 53 GLN CB C 53 28.591 28.000 0.591 1
1 566 . 13 1 1 A 53 53 GLN N N 53 118.967 117.152 1.815 1
1 568 . 13 1 1 A 54 54 LYS H H 54 8.008 7.817 0.191 1
1 569 . 13 1 1 A 54 54 LYS HA H 54 4.118 3.910 0.208 1
1 577 . 13 1 1 A 54 54 LYS C C 54 178.686 178.689 -0.003 1
1 578 . 13 1 1 A 54 54 LYS CA C 54 59.002 59.574 -0.572 1
1 579 . 13 1 1 A 54 54 LYS CB C 54 32.608 32.179 0.429 1
1 583 . 13 1 1 A 54 54 LYS N N 54 119.791 120.444 -0.653 1
1 584 . 13 1 1 A 55 55 ARG H H 55 7.978 7.509 0.469 1
1 585 . 13 1 1 A 55 55 ARG HA H 55 4.136 4.025 0.111 1
1 592 . 13 1 1 A 55 55 ARG C C 55 177.610 177.804 -0.194 1
1 593 . 13 1 1 A 55 55 ARG CA C 55 58.183 59.257 -1.074 1
1 594 . 13 1 1 A 55 55 ARG CB C 55 30.410 30.179 0.231 1
1 597 . 13 1 1 A 55 55 ARG N N 55 119.619 119.800 -0.181 1
1 598 . 13 1 1 A 56 56 ALA H H 56 8.008 7.239 0.769 1
1 599 . 13 1 1 A 56 56 ALA HA H 56 4.196 4.282 -0.086 1
1 603 . 13 1 1 A 56 56 ALA C C 56 179.269 176.618 2.651 1
1 604 . 13 1 1 A 56 56 ALA CA C 56 53.930 51.763 2.167 1
1 605 . 13 1 1 A 56 56 ALA CB C 56 18.539 18.407 0.132 1
1 606 . 13 1 1 A 56 56 ALA N N 56 122.850 118.901 3.949 1
1 607 . 13 1 1 A 57 57 LYS H H 57 8.014 6.872 1.142 1
1 608 . 13 1 1 A 57 57 LYS HA H 57 4.225 4.257 -0.032 1
1 617 . 13 1 1 A 57 57 LYS C C 57 177.892 176.052 1.840 1
1 618 . 13 1 1 A 57 57 LYS CA C 57 57.504 56.449 1.055 1
1 619 . 13 1 1 A 57 57 LYS CB C 57 32.646 32.575 0.071 1
1 623 . 13 1 1 A 57 57 LYS N N 57 118.986 116.971 2.015 1
1 624 . 13 1 1 A 58 58 ARG H H 58 8.039 8.550 -0.511 1
1 625 . 13 1 1 A 58 58 ARG HA H 58 4.229 4.348 -0.119 1
1 632 . 13 1 1 A 58 58 ARG C C 58 177.156 176.177 0.979 1
1 633 . 13 1 1 A 58 58 ARG CA C 58 57.425 57.251 0.174 1
1 634 . 13 1 1 A 58 58 ARG CB C 58 30.561 31.144 -0.583 1
1 637 . 13 1 1 A 58 58 ARG N N 58 120.747 121.792 -1.045 1
1 638 . 13 1 1 A 59 59 GLN H H 59 8.195 8.881 -0.686 1
1 639 . 13 1 1 A 59 59 GLN HA H 59 4.228 4.935 -0.707 1
1 644 . 13 1 1 A 59 59 GLN CA C 59 57.412 54.731 2.681 1
1 645 . 13 1 1 A 59 59 GLN CB C 59 32.773 31.058 1.715 1
1 647 . 13 1 1 A 59 59 GLN N N 59 121.145 119.056 2.089 1
1 648 . 13 1 1 A 60 60 GLU HA H 60 4.256 4.515 -0.259 1
1 653 . 13 1 1 A 60 60 GLU CA C 60 56.093 55.791 0.302 1
1 654 . 13 1 1 A 60 60 GLU CB C 60 29.429 29.084 0.345 1
1 656 . 13 1 1 A 63 63 LYS HA H 63 4.263 4.859 -0.596 1
1 663 . 13 1 1 A 63 63 LYS CA C 63 56.908 55.994 0.914 1
1 664 . 13 1 1 A 63 63 LYS CB C 63 32.778 36.517 -3.739 1
1 665 . 13 1 1 A 64 64 GLN H H 64 8.261 8.746 -0.485 1
1 666 . 13 1 1 A 64 64 GLN HA H 64 4.253 5.120 -0.867 1
1 673 . 13 1 1 A 64 64 GLN C C 64 176.687 173.374 3.313 1
1 674 . 13 1 1 A 64 64 GLN CA C 64 56.780 54.653 2.127 1
1 675 . 13 1 1 A 64 64 GLN CB C 64 29.198 32.309 -3.111 1
1 677 . 13 1 1 A 64 64 GLN N N 64 120.299 122.558 -2.259 1
1 679 . 13 1 1 A 65 65 LEU H H 65 8.190 8.674 -0.484 1
1 680 . 13 1 1 A 65 65 LEU HA H 65 4.306 4.914 -0.608 1
1 690 . 13 1 1 A 65 65 LEU C C 65 177.894 175.729 2.165 1
1 691 . 13 1 1 A 65 65 LEU CA C 65 55.952 53.527 2.425 1
1 692 . 13 1 1 A 65 65 LEU CB C 65 42.313 46.313 -4.000 1
1 696 . 13 1 1 A 65 65 LEU N N 65 122.723 120.873 1.850 1
1 697 . 13 1 1 A 66 66 LEU H H 66 8.165 8.499 -0.334 1
1 698 . 13 1 1 A 66 66 LEU HA H 66 4.305 4.972 -0.667 1
1 708 . 13 1 1 A 66 66 LEU C C 66 177.867 175.674 2.193 1
1 709 . 13 1 1 A 66 66 LEU CA C 66 55.775 53.370 2.405 1
1 710 . 13 1 1 A 66 66 LEU CB C 66 42.336 44.060 -1.724 1
1 714 . 13 1 1 A 66 66 LEU N N 66 121.812 121.802 0.010 1
1 715 . 13 1 1 A 67 67 SER H H 67 8.104 8.859 -0.755 1
1 716 . 13 1 1 A 67 67 SER CA C 67 58.896 56.758 2.138 1
1 717 . 13 1 1 A 67 67 SER CB C 67 63.674 67.228 -3.554 1
1 718 . 13 1 1 A 67 67 SER N N 67 115.632 112.701 2.931 1
1 719 . 13 1 1 A 69 69 GLN HA H 69 4.221 5.139 -0.918 1
1 724 . 13 1 1 A 69 69 GLN CA C 69 57.547 54.838 2.709 1
1 725 . 13 1 1 A 69 69 GLN CB C 69 30.314 32.633 -2.319 1
1 727 . 13 1 1 A 70 70 LYS H H 70 8.255 8.718 -0.463 1
1 728 . 13 1 1 A 70 70 LYS HA H 70 4.220 4.881 -0.661 1
1 737 . 13 1 1 A 70 70 LYS C C 70 176.303 174.007 2.296 1
1 738 . 13 1 1 A 70 70 LYS CA C 70 56.639 55.856 0.783 1
1 739 . 13 1 1 A 70 70 LYS CB C 70 33.080 36.330 -3.250 1
1 743 . 13 1 1 A 70 70 LYS N N 70 121.417 120.883 0.534 1
1 744 . 13 1 1 A 71 71 TYR H H 71 8.142 8.831 -0.689 1
1 745 . 13 1 1 A 71 71 TYR HA H 71 4.571 5.206 -0.635 1
1 752 . 13 1 1 A 71 71 TYR C C 71 175.736 174.540 1.196 1
1 753 . 13 1 1 A 71 71 TYR CA C 71 57.768 56.410 1.358 1
1 754 . 13 1 1 A 71 71 TYR CB C 71 38.894 43.172 -4.278 1
1 759 . 13 1 1 A 71 71 TYR N N 71 120.561 123.676 -3.115 1
1 760 . 13 1 1 A 72 72 ALA H H 72 8.237 8.643 -0.406 1
1 761 . 13 1 1 A 72 72 ALA HA H 72 4.292 4.867 -0.575 1
1 765 . 13 1 1 A 72 72 ALA C C 72 177.276 175.273 2.003 1
1 766 . 13 1 1 A 72 72 ALA CA C 72 52.642 51.353 1.289 1
1 767 . 13 1 1 A 72 72 ALA CB C 72 19.405 23.059 -3.654 1
1 768 . 13 1 1 A 72 72 ALA N N 72 125.192 122.553 2.639 1
1 769 . 13 1 1 A 73 73 ASP H H 73 8.220 8.434 -0.214 1
1 770 . 13 1 1 A 73 73 ASP HA H 73 4.549 4.927 -0.378 1
1 773 . 13 1 1 A 73 73 ASP C C 73 176.922 176.296 0.626 1
1 774 . 13 1 1 A 73 73 ASP CA C 73 54.682 54.539 0.143 1
1 775 . 13 1 1 A 73 73 ASP CB C 73 41.239 42.060 -0.821 1
1 776 . 13 1 1 A 73 73 ASP N N 73 119.269 119.300 -0.031 1
1 777 . 13 1 1 A 74 74 GLY H H 74 8.269 7.850 0.419 1
1 778 . 13 1 1 A 74 74 GLY HA2 H 74 3.963 4.022 -0.059 1
1 779 . 13 1 1 A 74 74 GLY HA3 H 74 3.879 4.030 -0.151 1
1 780 . 13 1 1 A 74 74 GLY C C 74 174.132 172.440 1.692 1
1 781 . 13 1 1 A 74 74 GLY CA C 74 45.551 44.862 0.689 1
1 782 . 13 1 1 A 74 74 GLY N N 74 109.209 107.397 1.812 1
1 783 . 13 1 1 A 75 75 ALA H H 75 8.048 8.133 -0.085 1
1 784 . 13 1 1 A 75 75 ALA HA H 75 4.221 5.058 -0.837 1
1 788 . 13 1 1 A 75 75 ALA C C 75 177.507 176.643 0.864 1
1 789 . 13 1 1 A 75 75 ALA CA C 75 52.638 51.300 1.338 1
1 790 . 13 1 1 A 75 75 ALA CB C 75 19.281 23.444 -4.163 1
1 791 . 13 1 1 A 75 75 ALA N N 75 123.382 119.773 3.609 1
1 792 . 13 1 1 A 76 76 PHE H H 76 8.126 9.086 -0.960 1
1 793 . 13 1 1 A 76 76 PHE HA H 76 4.541 4.655 -0.114 1
1 798 . 13 1 1 A 76 76 PHE C C 76 175.620 175.192 0.428 1
1 799 . 13 1 1 A 76 76 PHE CA C 76 57.733 59.443 -1.710 1
1 800 . 13 1 1 A 76 76 PHE CB C 76 39.429 41.256 -1.827 1
1 801 . 13 1 1 A 76 76 PHE N N 76 118.540 118.923 -0.383 1
1 802 . 13 1 1 A 77 77 ALA H H 77 8.017 7.697 0.320 1
1 803 . 13 1 1 A 77 77 ALA HA H 77 4.207 4.511 -0.304 1
1 807 . 13 1 1 A 77 77 ALA C C 77 176.990 174.806 2.184 1
1 808 . 13 1 1 A 77 77 ALA CA C 77 52.602 51.724 0.878 1
1 809 . 13 1 1 A 77 77 ALA CB C 77 19.528 22.566 -3.038 1
1 810 . 13 1 1 A 77 77 ALA N N 77 124.826 118.648 6.178 1
1 811 . 13 1 1 A 78 78 ASP H H 78 8.061 8.114 -0.053 1
1 812 . 13 1 1 A 78 78 ASP HA H 78 4.538 5.260 -0.722 1
1 815 . 13 1 1 A 78 78 ASP C C 78 175.908 173.984 1.924 1
1 816 . 13 1 1 A 78 78 ASP CA C 78 54.189 53.520 0.669 1
1 817 . 13 1 1 A 78 78 ASP CB C 78 41.242 43.556 -2.314 1
1 818 . 13 1 1 A 78 78 ASP N N 78 119.019 117.550 1.469 1
1 819 . 13 1 1 A 79 79 PHE H H 79 8.023 8.932 -0.909 1
1 820 . 13 1 1 A 79 79 PHE HA H 79 4.586 5.141 -0.555 1
1 825 . 13 1 1 A 79 79 PHE C C 79 175.551 174.742 0.809 1
1 826 . 13 1 1 A 79 79 PHE CA C 79 57.891 56.442 1.449 1
1 827 . 13 1 1 A 79 79 PHE CB C 79 39.484 42.000 -2.516 1
1 828 . 13 1 1 A 79 79 PHE N N 79 120.449 121.745 -1.296 1
1 829 . 13 1 1 A 80 80 LYS H H 80 8.161 8.751 -0.590 1
1 830 . 13 1 1 A 80 80 LYS HA H 80 4.251 5.066 -0.815 1
1 836 . 13 1 1 A 80 80 LYS C C 80 176.027 174.754 1.273 1
1 837 . 13 1 1 A 80 80 LYS CA C 80 56.233 55.155 1.078 1
1 838 . 13 1 1 A 80 80 LYS CB C 80 33.084 37.029 -3.945 1
1 842 . 13 1 1 A 80 80 LYS N N 80 123.309 121.928 1.381 1
1 843 . 13 1 1 A 81 81 GLN H H 81 8.329 8.799 -0.470 1
1 844 . 13 1 1 A 81 81 GLN HA H 81 4.284 5.027 -0.743 1
1 851 . 13 1 1 A 81 81 GLN C C 81 176.009 173.805 2.204 1
1 852 . 13 1 1 A 81 81 GLN CA C 81 55.952 55.035 0.917 1
1 853 . 13 1 1 A 81 81 GLN CB C 81 29.623 32.739 -3.116 1
1 855 . 13 1 1 A 81 81 GLN N N 81 121.944 122.591 -0.647 1
1 857 . 13 1 1 A 82 82 GLU H H 82 8.542 8.822 -0.280 1
1 858 . 13 1 1 A 82 82 GLU HA H 82 4.350 4.905 -0.555 1
1 862 . 13 1 1 A 82 82 GLU C C 82 176.509 174.881 1.628 1
1 863 . 13 1 1 A 82 82 GLU CA C 82 56.675 55.336 1.339 1
1 864 . 13 1 1 A 82 82 GLU CB C 82 30.447 32.263 -1.816 1
1 866 . 13 1 1 A 82 82 GLU N N 82 122.687 121.305 1.382 1
1 867 . 13 1 1 A 83 83 SER H H 83 8.418 8.564 -0.146 1
1 868 . 13 1 1 A 83 83 SER HA H 83 4.516 4.952 -0.436 1
1 871 . 13 1 1 A 83 83 SER C C 83 174.538 174.366 0.172 1
1 872 . 13 1 1 A 83 83 SER CA C 83 58.403 58.044 0.359 1
1 873 . 13 1 1 A 83 83 SER CB C 83 64.018 64.470 -0.452 1
1 874 . 13 1 1 A 83 83 SER N N 83 116.897 118.252 -1.355 1
1 875 . 13 1 1 A 84 84 GLY H H 84 8.276 7.932 0.344 1
1 876 . 13 1 1 A 84 84 GLY C C 84 171.814 170.966 0.848 1
1 877 . 13 1 1 A 84 84 GLY CA C 84 44.722 45.721 -0.999 1
1 878 . 13 1 1 A 84 84 GLY N N 84 110.673 109.542 1.131 1
1 879 . 13 1 1 A 85 85 PRO HA H 85 4.497 4.595 -0.098 1
1 885 . 13 1 1 A 85 85 PRO C C 85 177.204 175.948 1.256 1
1 886 . 13 1 1 A 85 85 PRO CA C 85 63.290 62.621 0.669 1
1 887 . 13 1 1 A 85 85 PRO CB C 85 32.228 33.524 -1.296 1
1 890 . 13 1 1 A 86 86 SER H H 86 8.331 8.626 -0.295 1
1 891 . 13 1 1 A 86 86 SER HA H 86 4.339 5.224 -0.885 1
1 892 . 13 1 1 A 86 86 SER C C 86 174.935 172.975 1.960 1
1 893 . 13 1 1 A 86 86 SER CA C 86 61.769 57.565 4.204 1
1 894 . 13 1 1 A 86 86 SER CB C 86 69.836 65.676 4.160 1
1 895 . 13 1 1 A 86 86 SER N N 86 114.681 113.943 0.738 1
1 896 . 13 1 1 A 87 87 SER H H 87 8.121 8.725 -0.604 1
1 897 . 13 1 1 A 87 87 SER CA C 87 61.963 57.473 4.490 1
1 898 . 13 1 1 A 87 87 SER CB C 87 69.818 64.958 4.860 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.975 4.145 -0.170 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.975 4.145 -0.170 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.115 171.579 2.536 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.392 45.726 -0.334 1
1 5 . 14 1 1 A 8 8 LEU H H 8 8.037 8.419 -0.382 1
1 6 . 14 1 1 A 8 8 LEU HA H 8 4.347 4.703 -0.356 1
1 16 . 14 1 1 A 8 8 LEU C C 8 177.426 174.805 2.621 1
1 17 . 14 1 1 A 8 8 LEU CA C 8 55.352 54.265 1.087 1
1 18 . 14 1 1 A 8 8 LEU CB C 8 42.478 45.649 -3.171 1
1 22 . 14 1 1 A 8 8 LEU N N 8 121.686 119.913 1.773 1
1 23 . 14 1 1 A 9 9 LYS H H 9 8.309 8.438 -0.129 1
1 24 . 14 1 1 A 9 9 LYS HA H 9 4.319 4.177 0.142 1
1 29 . 14 1 1 A 9 9 LYS CA C 9 56.195 56.534 -0.339 1
1 30 . 14 1 1 A 9 9 LYS CB C 9 32.820 32.720 0.100 1
1 34 . 14 1 1 A 9 9 LYS N N 9 122.335 122.738 -0.403 1
1 35 . 14 1 1 A 10 10 ARG HA H 10 4.306 4.909 -0.603 1
1 42 . 14 1 1 A 10 10 ARG C C 10 175.845 174.595 1.250 1
1 43 . 14 1 1 A 10 10 ARG CA C 10 56.146 54.178 1.968 1
1 44 . 14 1 1 A 10 10 ARG CB C 10 31.005 34.404 -3.399 1
1 47 . 14 1 1 A 11 11 ASP H H 11 8.293 8.729 -0.436 1
1 48 . 14 1 1 A 11 11 ASP HA H 11 4.582 5.156 -0.574 1
1 51 . 14 1 1 A 11 11 ASP C C 11 175.382 174.711 0.671 1
1 52 . 14 1 1 A 11 11 ASP CA C 11 54.612 52.810 1.802 1
1 53 . 14 1 1 A 11 11 ASP CB C 11 41.572 45.337 -3.765 1
1 54 . 14 1 1 A 11 11 ASP N N 11 120.563 119.004 1.559 1
1 55 . 14 1 1 A 12 12 PHE H H 12 7.961 8.147 -0.186 1
1 56 . 14 1 1 A 12 12 PHE HA H 12 4.758 5.502 -0.744 1
1 63 . 14 1 1 A 12 12 PHE C C 12 175.068 173.752 1.316 1
1 64 . 14 1 1 A 12 12 PHE CA C 12 58.990 54.881 4.109 1
1 65 . 14 1 1 A 12 12 PHE CB C 12 40.037 42.509 -2.472 1
1 70 . 14 1 1 A 12 12 PHE N N 12 118.808 117.053 1.755 1
1 71 . 14 1 1 A 13 13 ILE H H 13 8.167 8.926 -0.759 1
1 72 . 14 1 1 A 13 13 ILE HA H 13 4.167 4.920 -0.753 1
1 82 . 14 1 1 A 13 13 ILE C C 13 175.712 174.272 1.440 1
1 83 . 14 1 1 A 13 13 ILE CA C 13 60.976 59.447 1.529 1
1 84 . 14 1 1 A 13 13 ILE CB C 13 39.277 42.483 -3.206 1
1 88 . 14 1 1 A 13 13 ILE N N 13 122.190 115.247 6.943 1
1 89 . 14 1 1 A 14 14 ILE H H 14 8.287 8.810 -0.523 1
1 90 . 14 1 1 A 14 14 ILE HA H 14 4.163 4.939 -0.776 1
1 100 . 14 1 1 A 14 14 ILE C C 14 176.116 176.182 -0.066 1
1 101 . 14 1 1 A 14 14 ILE CA C 14 61.142 59.796 1.346 1
1 102 . 14 1 1 A 14 14 ILE CB C 14 38.438 41.413 -2.975 1
1 106 . 14 1 1 A 14 14 ILE N N 14 125.550 123.366 2.184 1
1 107 . 14 1 1 A 15 15 LEU H H 15 8.398 8.407 -0.009 1
1 108 . 14 1 1 A 15 15 LEU HA H 15 4.397 4.723 -0.326 1
1 118 . 14 1 1 A 15 15 LEU C C 15 177.749 177.010 0.739 1
1 119 . 14 1 1 A 15 15 LEU CA C 15 55.123 53.790 1.333 1
1 120 . 14 1 1 A 15 15 LEU CB C 15 42.560 41.625 0.935 1
1 124 . 14 1 1 A 15 15 LEU N N 15 127.408 121.593 5.815 1
1 125 . 14 1 1 A 16 16 GLY H H 16 8.347 8.330 0.017 1
1 126 . 14 1 1 A 16 16 GLY HA2 H 16 3.964 4.015 -0.051 1
1 127 . 14 1 1 A 16 16 GLY HA3 H 16 3.964 4.016 -0.052 1
1 128 . 14 1 1 A 16 16 GLY C C 16 172.979 174.898 -1.919 1
1 129 . 14 1 1 A 16 16 GLY CA C 16 45.286 45.834 -0.548 1
1 130 . 14 1 1 A 16 16 GLY N N 16 109.546 108.651 0.895 1
1 131 . 14 1 1 A 17 17 ASN H H 17 7.974 8.979 -1.005 1
1 132 . 14 1 1 A 17 17 ASN HA H 17 4.577 4.622 -0.045 1
1 137 . 14 1 1 A 17 17 ASN C C 17 175.869 175.406 0.463 1
1 138 . 14 1 1 A 17 17 ASN CA C 17 54.665 54.995 -0.330 1
1 139 . 14 1 1 A 17 17 ASN CB C 17 40.830 39.874 0.956 1
1 140 . 14 1 1 A 17 17 ASN N N 17 124.057 123.791 0.266 1
1 142 . 14 1 1 A 18 18 GLY H H 18 8.150 7.859 0.291 1
1 143 . 14 1 1 A 18 18 GLY HA2 H 18 4.073 4.081 -0.008 1
1 144 . 14 1 1 A 18 18 GLY HA3 H 18 4.073 4.082 -0.009 1
1 145 . 14 1 1 A 18 18 GLY C C 18 172.372 173.320 -0.948 1
1 146 . 14 1 1 A 18 18 GLY CA C 18 44.898 44.706 0.192 1
1 147 . 14 1 1 A 18 18 GLY N N 18 113.988 106.710 7.278 1
1 148 . 14 1 1 A 19 19 PRO HA H 19 4.441 4.685 -0.244 1
1 155 . 14 1 1 A 19 19 PRO C C 19 177.039 176.584 0.455 1
1 156 . 14 1 1 A 19 19 PRO CA C 19 63.268 62.748 0.520 1
1 157 . 14 1 1 A 19 19 PRO CB C 19 32.159 32.103 0.056 1
1 160 . 14 1 1 A 20 20 ARG H H 20 8.414 8.988 -0.574 1
1 161 . 14 1 1 A 20 20 ARG HA H 20 4.339 4.335 0.004 1
1 167 . 14 1 1 A 20 20 ARG C C 20 176.312 176.517 -0.205 1
1 168 . 14 1 1 A 20 20 ARG CA C 20 56.111 58.899 -2.788 1
1 169 . 14 1 1 A 20 20 ARG CB C 20 30.612 31.091 -0.479 1
1 172 . 14 1 1 A 20 20 ARG N N 20 120.839 120.894 -0.055 1
1 173 . 14 1 1 A 21 21 LEU H H 21 8.306 8.218 0.088 1
1 174 . 14 1 1 A 21 21 LEU HA H 21 4.405 4.594 -0.189 1
1 183 . 14 1 1 A 21 21 LEU C C 21 177.403 176.955 0.448 1
1 184 . 14 1 1 A 21 21 LEU CA C 21 55.141 54.102 1.039 1
1 185 . 14 1 1 A 21 21 LEU CB C 21 42.190 42.152 0.038 1
1 189 . 14 1 1 A 21 21 LEU N N 21 123.561 120.074 3.487 1
1 190 . 14 1 1 A 22 22 GLN H H 22 8.406 8.556 -0.150 1
1 191 . 14 1 1 A 22 22 GLN HA H 22 4.336 4.514 -0.178 1
1 198 . 14 1 1 A 22 22 GLN C C 22 175.699 176.414 -0.715 1
1 199 . 14 1 1 A 22 22 GLN CA C 22 56.181 56.398 -0.217 1
1 200 . 14 1 1 A 22 22 GLN CB C 22 29.492 30.223 -0.731 1
1 202 . 14 1 1 A 22 22 GLN N N 22 120.835 121.420 -0.585 1
1 204 . 14 1 1 A 24 24 SER HA H 24 4.451 4.157 0.294 1
1 207 . 14 1 1 A 24 24 SER C C 24 173.514 173.828 -0.314 1
1 208 . 14 1 1 A 24 24 SER CA C 24 58.579 59.126 -0.547 1
1 209 . 14 1 1 A 24 24 SER CB C 24 63.967 61.089 2.878 1
1 210 . 14 1 1 A 25 25 THR H H 25 7.806 7.929 -0.123 1
1 211 . 14 1 1 A 25 25 THR HA H 25 4.348 4.421 -0.073 1
1 216 . 14 1 1 A 25 25 THR C C 25 173.359 174.500 -1.141 1
1 217 . 14 1 1 A 25 25 THR CA C 25 61.593 63.538 -1.945 1
1 218 . 14 1 1 A 25 25 THR CB C 25 70.716 69.591 1.125 1
1 220 . 14 1 1 A 25 25 THR N N 25 114.185 116.148 -1.963 1
1 221 . 14 1 1 A 26 26 TYR H H 26 8.598 9.358 -0.760 1
1 222 . 14 1 1 A 26 26 TYR HA H 26 4.670 4.839 -0.169 1
1 229 . 14 1 1 A 26 26 TYR C C 26 174.444 175.141 -0.697 1
1 230 . 14 1 1 A 26 26 TYR CA C 26 56.798 57.963 -1.165 1
1 231 . 14 1 1 A 26 26 TYR CB C 26 39.717 40.093 -0.376 1
1 236 . 14 1 1 A 26 26 TYR N N 26 121.326 125.418 -4.092 1
1 237 . 14 1 1 A 27 27 GLN H H 27 8.528 8.816 -0.288 1
1 238 . 14 1 1 A 27 27 GLN HA H 27 4.670 5.172 -0.502 1
1 245 . 14 1 1 A 27 27 GLN C C 27 175.055 174.917 0.138 1
1 246 . 14 1 1 A 27 27 GLN CA C 27 54.718 54.320 0.398 1
1 247 . 14 1 1 A 27 27 GLN CB C 27 30.938 31.417 -0.479 1
1 249 . 14 1 1 A 27 27 GLN N N 27 123.045 120.840 2.205 1
1 251 . 14 1 1 A 28 28 CYS H H 28 8.682 8.649 0.033 1
1 252 . 14 1 1 A 28 28 CYS HA H 28 4.331 4.488 -0.157 1
1 255 . 14 1 1 A 28 28 CYS C C 28 176.610 176.622 -0.012 1
1 256 . 14 1 1 A 28 28 CYS CA C 28 60.394 60.178 0.216 1
1 257 . 14 1 1 A 28 28 CYS CB C 28 29.850 28.530 1.320 1
1 258 . 14 1 1 A 28 28 CYS N N 28 129.276 126.458 2.818 1
1 259 . 14 1 1 A 29 29 LYS H H 29 8.454 8.509 -0.055 1
1 260 . 14 1 1 A 29 29 LYS HA H 29 4.257 4.423 -0.166 1
1 269 . 14 1 1 A 29 29 LYS C C 29 176.581 175.726 0.855 1
1 270 . 14 1 1 A 29 29 LYS CA C 29 57.584 56.675 0.909 1
1 271 . 14 1 1 A 29 29 LYS CB C 29 32.145 32.359 -0.214 1
1 275 . 14 1 1 A 29 29 LYS N N 29 127.445 122.641 4.804 1
1 276 . 14 1 1 A 30 30 HIS H H 30 9.625 8.080 1.545 1
1 277 . 14 1 1 A 30 30 HIS HA H 30 4.608 4.732 -0.124 1
1 281 . 14 1 1 A 30 30 HIS C C 30 175.524 176.278 -0.754 1
1 282 . 14 1 1 A 30 30 HIS CA C 30 56.956 56.894 0.062 1
1 283 . 14 1 1 A 30 30 HIS CB C 30 30.732 31.721 -0.989 1
1 285 . 14 1 1 A 30 30 HIS N N 30 121.657 116.697 4.960 1
1 286 . 14 1 1 A 31 31 CYS H H 31 8.086 8.145 -0.059 1
1 287 . 14 1 1 A 31 31 CYS HA H 31 5.078 4.538 0.540 1
1 290 . 14 1 1 A 31 31 CYS C C 31 173.769 174.743 -0.974 1
1 291 . 14 1 1 A 31 31 CYS CA C 31 58.349 58.450 -0.101 1
1 292 . 14 1 1 A 31 31 CYS CB C 31 31.268 30.021 1.247 1
1 293 . 14 1 1 A 31 31 CYS N N 31 118.457 113.349 5.108 1
1 294 . 14 1 1 A 32 32 ASP H H 32 8.135 8.038 0.097 1
1 295 . 14 1 1 A 32 32 ASP HA H 32 4.637 4.433 0.204 1
1 298 . 14 1 1 A 32 32 ASP C C 32 176.540 175.540 1.000 1
1 299 . 14 1 1 A 32 32 ASP CA C 32 55.687 55.164 0.523 1
1 300 . 14 1 1 A 32 32 ASP CB C 32 40.418 39.404 1.014 1
1 301 . 14 1 1 A 32 32 ASP N N 32 116.820 120.955 -4.135 1
1 302 . 14 1 1 A 33 33 SER H H 33 8.667 7.890 0.777 1
1 303 . 14 1 1 A 33 33 SER HA H 33 4.267 4.764 -0.497 1
1 306 . 14 1 1 A 33 33 SER C C 33 172.462 172.610 -0.148 1
1 307 . 14 1 1 A 33 33 SER CA C 33 61.452 55.940 5.512 1
1 308 . 14 1 1 A 33 33 SER CB C 33 63.893 65.464 -1.571 1
1 309 . 14 1 1 A 33 33 SER N N 33 119.488 113.241 6.247 1
1 310 . 14 1 1 A 34 34 LYS H H 34 8.389 8.340 0.049 1
1 311 . 14 1 1 A 34 34 LYS HA H 34 4.747 5.563 -0.816 1
1 320 . 14 1 1 A 34 34 LYS C C 34 175.517 175.339 0.178 1
1 321 . 14 1 1 A 34 34 LYS CA C 34 55.476 54.760 0.716 1
1 322 . 14 1 1 A 34 34 LYS CB C 34 33.526 35.585 -2.059 1
1 326 . 14 1 1 A 34 34 LYS N N 34 122.954 121.250 1.704 1
1 327 . 14 1 1 A 35 35 LEU H H 35 8.825 8.519 0.306 1
1 328 . 14 1 1 A 35 35 LEU HA H 35 4.847 4.835 0.012 1
1 338 . 14 1 1 A 35 35 LEU C C 35 177.476 177.088 0.388 1
1 339 . 14 1 1 A 35 35 LEU CA C 35 52.673 53.281 -0.608 1
1 340 . 14 1 1 A 35 35 LEU CB C 35 42.115 44.932 -2.817 1
1 344 . 14 1 1 A 35 35 LEU N N 35 126.489 125.564 0.925 1
1 345 . 14 1 1 A 36 36 GLN H H 36 8.883 8.600 0.283 1
1 346 . 14 1 1 A 36 36 GLN HA H 36 4.565 4.117 0.448 1
1 353 . 14 1 1 A 36 36 GLN C C 36 175.227 175.696 -0.469 1
1 354 . 14 1 1 A 36 36 GLN CA C 36 56.763 58.313 -1.550 1
1 355 . 14 1 1 A 36 36 GLN CB C 36 30.225 29.564 0.661 1
1 357 . 14 1 1 A 36 36 GLN N N 36 116.410 120.987 -4.577 1
1 359 . 14 1 1 A 37 37 SER H H 37 7.345 7.578 -0.233 1
1 360 . 14 1 1 A 37 37 SER HA H 37 4.569 3.235 1.334 1
1 363 . 14 1 1 A 37 37 SER C C 37 179.414 173.764 5.650 1
1 364 . 14 1 1 A 37 37 SER CA C 37 56.780 56.940 -0.160 1
1 365 . 14 1 1 A 37 37 SER CB C 37 66.444 65.912 0.532 1
1 366 . 14 1 1 A 37 37 SER N N 37 110.125 111.261 -1.136 1
1 367 . 14 1 1 A 38 38 THR H H 38 8.099 8.125 -0.026 1
1 368 . 14 1 1 A 38 38 THR HA H 38 3.627 3.873 -0.246 1
1 373 . 14 1 1 A 38 38 THR CA C 38 65.831 65.449 0.382 1
1 374 . 14 1 1 A 38 38 THR CB C 38 68.118 68.434 -0.316 1
1 376 . 14 1 1 A 38 38 THR N N 38 121.696 116.919 4.777 1
1 377 . 14 1 1 A 39 39 ALA HA H 39 4.155 4.028 0.127 1
1 381 . 14 1 1 A 39 39 ALA C C 39 180.623 179.352 1.271 1
1 382 . 14 1 1 A 39 39 ALA CA C 39 55.406 55.421 -0.015 1
1 383 . 14 1 1 A 39 39 ALA CB C 39 18.098 18.668 -0.570 1
1 384 . 14 1 1 A 40 40 GLU H H 40 7.881 7.985 -0.104 1
1 385 . 14 1 1 A 40 40 GLU HA H 40 4.114 4.167 -0.053 1
1 390 . 14 1 1 A 40 40 GLU C C 40 179.352 178.889 0.463 1
1 391 . 14 1 1 A 40 40 GLU CA C 40 58.914 59.022 -0.108 1
1 392 . 14 1 1 A 40 40 GLU CB C 40 30.822 30.216 0.606 1
1 394 . 14 1 1 A 40 40 GLU N N 40 118.475 117.493 0.982 1
1 395 . 14 1 1 A 41 41 LEU H H 41 8.096 7.994 0.102 1
1 396 . 14 1 1 A 41 41 LEU HA H 41 4.115 4.126 -0.011 1
1 406 . 14 1 1 A 41 41 LEU C C 41 177.620 178.757 -1.137 1
1 407 . 14 1 1 A 41 41 LEU CA C 41 58.841 58.278 0.563 1
1 408 . 14 1 1 A 41 41 LEU CB C 41 41.442 41.758 -0.316 1
1 412 . 14 1 1 A 41 41 LEU N N 41 121.715 122.212 -0.497 1
1 413 . 14 1 1 A 42 42 THR H H 42 8.599 8.475 0.124 1
1 414 . 14 1 1 A 42 42 THR HA H 42 3.860 3.936 -0.076 1
1 419 . 14 1 1 A 42 42 THR C C 42 176.761 176.711 0.050 1
1 420 . 14 1 1 A 42 42 THR CA C 42 67.345 66.349 0.996 1
1 421 . 14 1 1 A 42 42 THR CB C 42 68.758 68.616 0.142 1
1 423 . 14 1 1 A 42 42 THR N N 42 115.801 114.588 1.213 1
1 424 . 14 1 1 A 43 43 SER H H 43 7.833 7.981 -0.148 1
1 425 . 14 1 1 A 43 43 SER HA H 43 4.251 4.622 -0.371 1
1 428 . 14 1 1 A 43 43 SER C C 43 176.836 177.043 -0.207 1
1 429 . 14 1 1 A 43 43 SER CA C 43 61.646 61.380 0.266 1
1 430 . 14 1 1 A 43 43 SER CB C 43 62.750 62.860 -0.110 1
1 431 . 14 1 1 A 43 43 SER N N 43 115.657 116.374 -0.717 1
1 432 . 14 1 1 A 44 44 HIS H H 44 8.415 8.552 -0.137 1
1 433 . 14 1 1 A 44 44 HIS HA H 44 4.182 4.044 0.138 1
1 438 . 14 1 1 A 44 44 HIS C C 44 177.125 176.863 0.262 1
1 439 . 14 1 1 A 44 44 HIS CA C 44 60.094 60.009 0.085 1
1 440 . 14 1 1 A 44 44 HIS CB C 44 28.846 29.973 -1.127 1
1 443 . 14 1 1 A 44 44 HIS N N 44 122.271 121.283 0.988 1
1 444 . 14 1 1 A 45 45 LEU H H 45 8.854 8.681 0.173 1
1 445 . 14 1 1 A 45 45 LEU HA H 45 4.100 3.739 0.361 1
1 455 . 14 1 1 A 45 45 LEU C C 45 179.448 178.980 0.468 1
1 456 . 14 1 1 A 45 45 LEU CA C 45 58.297 57.880 0.417 1
1 457 . 14 1 1 A 45 45 LEU CB C 45 41.666 41.270 0.396 1
1 461 . 14 1 1 A 45 45 LEU N N 45 118.289 119.816 -1.527 1
1 462 . 14 1 1 A 46 46 ASN H H 46 7.730 8.244 -0.514 1
1 463 . 14 1 1 A 46 46 ASN HA H 46 4.502 4.450 0.052 1
1 468 . 14 1 1 A 46 46 ASN C C 46 177.759 177.983 -0.224 1
1 469 . 14 1 1 A 46 46 ASN CA C 46 56.163 56.558 -0.395 1
1 470 . 14 1 1 A 46 46 ASN CB C 46 38.069 37.988 0.081 1
1 471 . 14 1 1 A 46 46 ASN N N 46 117.155 117.240 -0.085 1
1 473 . 14 1 1 A 47 47 ILE H H 47 7.670 7.128 0.542 1
1 474 . 14 1 1 A 47 47 ILE HA H 47 3.787 3.905 -0.118 1
1 484 . 14 1 1 A 47 47 ILE C C 47 178.447 178.011 0.436 1
1 485 . 14 1 1 A 47 47 ILE CA C 47 64.273 65.153 -0.880 1
1 486 . 14 1 1 A 47 47 ILE CB C 47 37.214 37.231 -0.017 1
1 490 . 14 1 1 A 47 47 ILE N N 47 119.392 119.329 0.063 1
1 491 . 14 1 1 A 48 48 HIS H H 48 6.999 7.854 -0.855 1
1 492 . 14 1 1 A 48 48 HIS HA H 48 4.437 4.190 0.247 1
1 497 . 14 1 1 A 48 48 HIS C C 48 175.932 177.910 -1.978 1
1 498 . 14 1 1 A 48 48 HIS CA C 48 56.855 60.119 -3.264 1
1 499 . 14 1 1 A 48 48 HIS CB C 48 27.971 29.528 -1.557 1
1 502 . 14 1 1 A 48 48 HIS N N 48 116.931 119.631 -2.700 1
1 503 . 14 1 1 A 49 49 ASN H H 49 8.059 8.302 -0.243 1
1 504 . 14 1 1 A 49 49 ASN HA H 49 4.555 4.265 0.290 1
1 509 . 14 1 1 A 49 49 ASN C C 49 177.139 177.854 -0.715 1
1 510 . 14 1 1 A 49 49 ASN CA C 49 55.552 56.460 -0.908 1
1 511 . 14 1 1 A 49 49 ASN CB C 49 38.495 37.920 0.575 1
1 512 . 14 1 1 A 49 49 ASN N N 49 118.208 116.880 1.328 1
1 514 . 14 1 1 A 50 50 GLU H H 50 8.336 8.576 -0.240 1
1 515 . 14 1 1 A 50 50 GLU HA H 50 4.090 4.117 -0.027 1
1 520 . 14 1 1 A 50 50 GLU C C 50 178.637 178.558 0.079 1
1 521 . 14 1 1 A 50 50 GLU CA C 50 59.246 59.453 -0.207 1
1 522 . 14 1 1 A 50 50 GLU CB C 50 29.582 29.071 0.511 1
1 524 . 14 1 1 A 50 50 GLU N N 50 121.316 117.709 3.607 1
1 525 . 14 1 1 A 51 51 GLU H H 51 7.932 7.328 0.604 1
1 526 . 14 1 1 A 51 51 GLU HA H 51 4.093 4.039 0.054 1
1 531 . 14 1 1 A 51 51 GLU C C 51 179.088 179.060 0.028 1
1 532 . 14 1 1 A 51 51 GLU CA C 51 59.037 58.847 0.190 1
1 533 . 14 1 1 A 51 51 GLU CB C 51 29.183 29.736 -0.553 1
1 535 . 14 1 1 A 51 51 GLU N N 51 120.058 120.009 0.049 1
1 536 . 14 1 1 A 52 52 PHE H H 52 8.345 8.198 0.147 1
1 537 . 14 1 1 A 52 52 PHE HA H 52 4.411 4.172 0.239 1
1 545 . 14 1 1 A 52 52 PHE C C 52 178.654 177.140 1.514 1
1 546 . 14 1 1 A 52 52 PHE CA C 52 59.523 61.554 -2.031 1
1 547 . 14 1 1 A 52 52 PHE CB C 52 38.261 39.232 -0.971 1
1 553 . 14 1 1 A 52 52 PHE N N 52 119.698 121.031 -1.333 1
1 554 . 14 1 1 A 53 53 GLN H H 53 8.197 8.544 -0.347 1
1 555 . 14 1 1 A 53 53 GLN HA H 53 4.153 4.015 0.138 1
1 562 . 14 1 1 A 53 53 GLN C C 53 178.059 178.249 -0.190 1
1 563 . 14 1 1 A 53 53 GLN CA C 53 58.120 58.722 -0.602 1
1 564 . 14 1 1 A 53 53 GLN CB C 53 28.591 28.280 0.311 1
1 566 . 14 1 1 A 53 53 GLN N N 53 118.967 118.494 0.473 1
1 568 . 14 1 1 A 54 54 LYS H H 54 8.008 7.792 0.216 1
1 569 . 14 1 1 A 54 54 LYS HA H 54 4.118 3.997 0.121 1
1 577 . 14 1 1 A 54 54 LYS C C 54 178.686 178.475 0.211 1
1 578 . 14 1 1 A 54 54 LYS CA C 54 59.002 59.674 -0.672 1
1 579 . 14 1 1 A 54 54 LYS CB C 54 32.608 32.329 0.279 1
1 583 . 14 1 1 A 54 54 LYS N N 54 119.791 118.278 1.513 1
1 584 . 14 1 1 A 55 55 ARG H H 55 7.978 8.538 -0.560 1
1 585 . 14 1 1 A 55 55 ARG HA H 55 4.136 3.977 0.159 1
1 592 . 14 1 1 A 55 55 ARG C C 55 177.610 177.477 0.133 1
1 593 . 14 1 1 A 55 55 ARG CA C 55 58.183 59.238 -1.055 1
1 594 . 14 1 1 A 55 55 ARG CB C 55 30.410 29.877 0.533 1
1 597 . 14 1 1 A 55 55 ARG N N 55 119.619 120.059 -0.440 1
1 598 . 14 1 1 A 56 56 ALA H H 56 8.008 7.430 0.578 1
1 599 . 14 1 1 A 56 56 ALA HA H 56 4.196 4.355 -0.159 1
1 603 . 14 1 1 A 56 56 ALA C C 56 179.269 177.739 1.530 1
1 604 . 14 1 1 A 56 56 ALA CA C 56 53.930 52.394 1.536 1
1 605 . 14 1 1 A 56 56 ALA CB C 56 18.539 18.545 -0.006 1
1 606 . 14 1 1 A 56 56 ALA N N 56 122.850 119.535 3.315 1
1 607 . 14 1 1 A 57 57 LYS H H 57 8.014 8.230 -0.216 1
1 608 . 14 1 1 A 57 57 LYS HA H 57 4.225 4.508 -0.283 1
1 617 . 14 1 1 A 57 57 LYS C C 57 177.892 175.438 2.454 1
1 618 . 14 1 1 A 57 57 LYS CA C 57 57.504 57.511 -0.007 1
1 619 . 14 1 1 A 57 57 LYS CB C 57 32.646 34.675 -2.029 1
1 623 . 14 1 1 A 57 57 LYS N N 57 118.986 118.008 0.978 1
1 624 . 14 1 1 A 58 58 ARG H H 58 8.039 7.803 0.236 1
1 625 . 14 1 1 A 58 58 ARG HA H 58 4.229 4.846 -0.617 1
1 632 . 14 1 1 A 58 58 ARG C C 58 177.156 175.774 1.382 1
1 633 . 14 1 1 A 58 58 ARG CA C 58 57.425 54.378 3.047 1
1 634 . 14 1 1 A 58 58 ARG CB C 58 30.561 32.962 -2.401 1
1 637 . 14 1 1 A 58 58 ARG N N 58 120.747 119.656 1.091 1
1 638 . 14 1 1 A 59 59 GLN H H 59 8.195 8.372 -0.177 1
1 639 . 14 1 1 A 59 59 GLN HA H 59 4.228 4.256 -0.028 1
1 644 . 14 1 1 A 59 59 GLN CA C 59 57.412 56.765 0.647 1
1 645 . 14 1 1 A 59 59 GLN CB C 59 32.773 29.009 3.764 1
1 647 . 14 1 1 A 59 59 GLN N N 59 121.145 125.685 -4.540 1
1 648 . 14 1 1 A 60 60 GLU HA H 60 4.256 4.907 -0.651 1
1 653 . 14 1 1 A 60 60 GLU CA C 60 56.093 54.838 1.255 1
1 654 . 14 1 1 A 60 60 GLU CB C 60 29.429 32.155 -2.726 1
1 656 . 14 1 1 A 63 63 LYS HA H 63 4.263 4.397 -0.134 1
1 663 . 14 1 1 A 63 63 LYS CA C 63 56.908 56.583 0.325 1
1 664 . 14 1 1 A 63 63 LYS CB C 63 32.778 33.452 -0.674 1
1 665 . 14 1 1 A 64 64 GLN H H 64 8.261 8.633 -0.372 1
1 666 . 14 1 1 A 64 64 GLN HA H 64 4.253 4.892 -0.639 1
1 673 . 14 1 1 A 64 64 GLN C C 64 176.687 175.495 1.192 1
1 674 . 14 1 1 A 64 64 GLN CA C 64 56.780 54.256 2.524 1
1 675 . 14 1 1 A 64 64 GLN CB C 64 29.198 32.300 -3.102 1
1 677 . 14 1 1 A 64 64 GLN N N 64 120.299 118.341 1.958 1
1 679 . 14 1 1 A 65 65 LEU H H 65 8.190 8.357 -0.167 1
1 680 . 14 1 1 A 65 65 LEU HA H 65 4.306 4.380 -0.074 1
1 690 . 14 1 1 A 65 65 LEU C C 65 177.894 176.196 1.698 1
1 691 . 14 1 1 A 65 65 LEU CA C 65 55.952 54.566 1.386 1
1 692 . 14 1 1 A 65 65 LEU CB C 65 42.313 42.439 -0.126 1
1 696 . 14 1 1 A 65 65 LEU N N 65 122.723 121.419 1.304 1
1 697 . 14 1 1 A 66 66 LEU H H 66 8.165 8.264 -0.099 1
1 698 . 14 1 1 A 66 66 LEU HA H 66 4.305 5.150 -0.845 1
1 708 . 14 1 1 A 66 66 LEU C C 66 177.867 175.627 2.240 1
1 709 . 14 1 1 A 66 66 LEU CA C 66 55.775 53.199 2.576 1
1 710 . 14 1 1 A 66 66 LEU CB C 66 42.336 45.843 -3.507 1
1 714 . 14 1 1 A 66 66 LEU N N 66 121.812 122.306 -0.494 1
1 715 . 14 1 1 A 67 67 SER H H 67 8.104 8.775 -0.671 1
1 716 . 14 1 1 A 67 67 SER CA C 67 58.896 56.469 2.427 1
1 717 . 14 1 1 A 67 67 SER CB C 67 63.674 65.818 -2.144 1
1 718 . 14 1 1 A 67 67 SER N N 67 115.632 115.631 0.001 1
1 719 . 14 1 1 A 69 69 GLN HA H 69 4.221 5.005 -0.784 1
1 724 . 14 1 1 A 69 69 GLN CA C 69 57.547 54.672 2.875 1
1 725 . 14 1 1 A 69 69 GLN CB C 69 30.314 32.875 -2.561 1
1 727 . 14 1 1 A 70 70 LYS H H 70 8.255 8.777 -0.522 1
1 728 . 14 1 1 A 70 70 LYS HA H 70 4.220 4.861 -0.641 1
1 737 . 14 1 1 A 70 70 LYS C C 70 176.303 174.219 2.084 1
1 738 . 14 1 1 A 70 70 LYS CA C 70 56.639 55.861 0.778 1
1 739 . 14 1 1 A 70 70 LYS CB C 70 33.080 36.631 -3.551 1
1 743 . 14 1 1 A 70 70 LYS N N 70 121.417 124.708 -3.291 1
1 744 . 14 1 1 A 71 71 TYR H H 71 8.142 8.439 -0.297 1
1 745 . 14 1 1 A 71 71 TYR HA H 71 4.571 5.313 -0.742 1
1 752 . 14 1 1 A 71 71 TYR C C 71 175.736 172.762 2.974 1
1 753 . 14 1 1 A 71 71 TYR CA C 71 57.768 56.098 1.670 1
1 754 . 14 1 1 A 71 71 TYR CB C 71 38.894 41.249 -2.355 1
1 759 . 14 1 1 A 71 71 TYR N N 71 120.561 119.712 0.849 1
1 760 . 14 1 1 A 72 72 ALA H H 72 8.237 8.789 -0.552 1
1 761 . 14 1 1 A 72 72 ALA HA H 72 4.292 4.908 -0.616 1
1 765 . 14 1 1 A 72 72 ALA C C 72 177.276 176.290 0.986 1
1 766 . 14 1 1 A 72 72 ALA CA C 72 52.642 50.984 1.658 1
1 767 . 14 1 1 A 72 72 ALA CB C 72 19.405 23.780 -4.375 1
1 768 . 14 1 1 A 72 72 ALA N N 72 125.192 122.068 3.124 1
1 769 . 14 1 1 A 73 73 ASP H H 73 8.220 9.306 -1.086 1
1 770 . 14 1 1 A 73 73 ASP HA H 73 4.549 4.811 -0.262 1
1 773 . 14 1 1 A 73 73 ASP C C 73 176.922 176.014 0.908 1
1 774 . 14 1 1 A 73 73 ASP CA C 73 54.682 55.650 -0.968 1
1 775 . 14 1 1 A 73 73 ASP CB C 73 41.239 43.075 -1.836 1
1 776 . 14 1 1 A 73 73 ASP N N 73 119.269 119.511 -0.242 1
1 777 . 14 1 1 A 74 74 GLY H H 74 8.269 7.567 0.702 1
1 778 . 14 1 1 A 74 74 GLY HA2 H 74 3.963 4.041 -0.078 1
1 779 . 14 1 1 A 74 74 GLY HA3 H 74 3.879 4.065 -0.186 1
1 780 . 14 1 1 A 74 74 GLY C C 74 174.132 171.444 2.688 1
1 781 . 14 1 1 A 74 74 GLY CA C 74 45.551 44.230 1.321 1
1 782 . 14 1 1 A 74 74 GLY N N 74 109.209 105.706 3.503 1
1 783 . 14 1 1 A 75 75 ALA H H 75 8.048 7.863 0.185 1
1 784 . 14 1 1 A 75 75 ALA HA H 75 4.221 4.870 -0.649 1
1 788 . 14 1 1 A 75 75 ALA C C 75 177.507 175.237 2.270 1
1 789 . 14 1 1 A 75 75 ALA CA C 75 52.638 51.530 1.108 1
1 790 . 14 1 1 A 75 75 ALA CB C 75 19.281 22.776 -3.495 1
1 791 . 14 1 1 A 75 75 ALA N N 75 123.382 121.185 2.197 1
1 792 . 14 1 1 A 76 76 PHE H H 76 8.126 8.719 -0.593 1
1 793 . 14 1 1 A 76 76 PHE HA H 76 4.541 5.155 -0.614 1
1 798 . 14 1 1 A 76 76 PHE C C 76 175.620 174.603 1.017 1
1 799 . 14 1 1 A 76 76 PHE CA C 76 57.733 56.428 1.305 1
1 800 . 14 1 1 A 76 76 PHE CB C 76 39.429 43.952 -4.523 1
1 801 . 14 1 1 A 76 76 PHE N N 76 118.540 115.167 3.373 1
1 802 . 14 1 1 A 77 77 ALA H H 77 8.017 8.822 -0.805 1
1 803 . 14 1 1 A 77 77 ALA HA H 77 4.207 4.855 -0.648 1
1 807 . 14 1 1 A 77 77 ALA C C 77 176.990 175.118 1.872 1
1 808 . 14 1 1 A 77 77 ALA CA C 77 52.602 51.422 1.180 1
1 809 . 14 1 1 A 77 77 ALA CB C 77 19.528 23.460 -3.932 1
1 810 . 14 1 1 A 77 77 ALA N N 77 124.826 121.553 3.273 1
1 811 . 14 1 1 A 78 78 ASP H H 78 8.061 8.602 -0.541 1
1 812 . 14 1 1 A 78 78 ASP HA H 78 4.538 5.356 -0.818 1
1 815 . 14 1 1 A 78 78 ASP C C 78 175.908 173.840 2.068 1
1 816 . 14 1 1 A 78 78 ASP CA C 78 54.189 53.269 0.920 1
1 817 . 14 1 1 A 78 78 ASP CB C 78 41.242 45.061 -3.819 1
1 818 . 14 1 1 A 78 78 ASP N N 78 119.019 118.768 0.251 1
1 819 . 14 1 1 A 79 79 PHE H H 79 8.023 8.848 -0.825 1
1 820 . 14 1 1 A 79 79 PHE HA H 79 4.586 5.213 -0.627 1
1 825 . 14 1 1 A 79 79 PHE C C 79 175.551 174.340 1.211 1
1 826 . 14 1 1 A 79 79 PHE CA C 79 57.891 56.746 1.145 1
1 827 . 14 1 1 A 79 79 PHE CB C 79 39.484 44.321 -4.837 1
1 828 . 14 1 1 A 79 79 PHE N N 79 120.449 119.543 0.906 1
1 829 . 14 1 1 A 80 80 LYS H H 80 8.161 8.693 -0.532 1
1 830 . 14 1 1 A 80 80 LYS HA H 80 4.251 5.248 -0.997 1
1 836 . 14 1 1 A 80 80 LYS C C 80 176.027 174.566 1.461 1
1 837 . 14 1 1 A 80 80 LYS CA C 80 56.233 55.008 1.225 1
1 838 . 14 1 1 A 80 80 LYS CB C 80 33.084 36.611 -3.527 1
1 842 . 14 1 1 A 80 80 LYS N N 80 123.309 120.807 2.502 1
1 843 . 14 1 1 A 81 81 GLN H H 81 8.329 8.839 -0.510 1
1 844 . 14 1 1 A 81 81 GLN HA H 81 4.284 5.041 -0.757 1
1 851 . 14 1 1 A 81 81 GLN C C 81 176.009 174.117 1.892 1
1 852 . 14 1 1 A 81 81 GLN CA C 81 55.952 54.550 1.402 1
1 853 . 14 1 1 A 81 81 GLN CB C 81 29.623 32.925 -3.302 1
1 855 . 14 1 1 A 81 81 GLN N N 81 121.944 123.916 -1.972 1
1 857 . 14 1 1 A 82 82 GLU H H 82 8.542 8.698 -0.156 1
1 858 . 14 1 1 A 82 82 GLU HA H 82 4.350 5.461 -1.111 1
1 862 . 14 1 1 A 82 82 GLU C C 82 176.509 174.606 1.903 1
1 863 . 14 1 1 A 82 82 GLU CA C 82 56.675 54.232 2.443 1
1 864 . 14 1 1 A 82 82 GLU CB C 82 30.447 34.185 -3.738 1
1 866 . 14 1 1 A 82 82 GLU N N 82 122.687 123.290 -0.603 1
1 867 . 14 1 1 A 83 83 SER H H 83 8.418 8.698 -0.280 1
1 868 . 14 1 1 A 83 83 SER HA H 83 4.516 4.994 -0.478 1
1 871 . 14 1 1 A 83 83 SER C C 83 174.538 172.266 2.272 1
1 872 . 14 1 1 A 83 83 SER CA C 83 58.403 57.514 0.889 1
1 873 . 14 1 1 A 83 83 SER CB C 83 64.018 65.193 -1.175 1
1 874 . 14 1 1 A 83 83 SER N N 83 116.897 114.327 2.570 1
1 875 . 14 1 1 A 84 84 GLY H H 84 8.276 8.454 -0.178 1
1 876 . 14 1 1 A 84 84 GLY C C 84 171.814 171.670 0.144 1
1 877 . 14 1 1 A 84 84 GLY CA C 84 44.722 45.739 -1.017 1
1 878 . 14 1 1 A 84 84 GLY N N 84 110.673 111.330 -0.657 1
1 879 . 14 1 1 A 85 85 PRO HA H 85 4.497 4.632 -0.135 1
1 885 . 14 1 1 A 85 85 PRO C C 85 177.204 175.269 1.935 1
1 886 . 14 1 1 A 85 85 PRO CA C 85 63.290 62.590 0.700 1
1 887 . 14 1 1 A 85 85 PRO CB C 85 32.228 33.331 -1.103 1
1 890 . 14 1 1 A 86 86 SER H H 86 8.331 8.658 -0.327 1
1 891 . 14 1 1 A 86 86 SER HA H 86 4.339 5.023 -0.684 1
1 892 . 14 1 1 A 86 86 SER C C 86 174.935 174.057 0.878 1
1 893 . 14 1 1 A 86 86 SER CA C 86 61.769 56.604 5.165 1
1 894 . 14 1 1 A 86 86 SER CB C 86 69.836 65.537 4.299 1
1 895 . 14 1 1 A 86 86 SER N N 86 114.681 117.411 -2.730 1
1 896 . 14 1 1 A 87 87 SER H H 87 8.121 8.819 -0.698 1
1 897 . 14 1 1 A 87 87 SER CA C 87 61.963 60.625 1.338 1
1 898 . 14 1 1 A 87 87 SER CB C 87 69.818 63.860 5.958 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.975 3.985 -0.010 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.975 3.986 -0.011 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.115 174.724 -0.609 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.392 45.723 -0.331 1
1 5 . 15 1 1 A 8 8 LEU H H 8 8.037 8.678 -0.641 1
1 6 . 15 1 1 A 8 8 LEU HA H 8 4.347 3.832 0.515 1
1 16 . 15 1 1 A 8 8 LEU C C 8 177.426 175.739 1.687 1
1 17 . 15 1 1 A 8 8 LEU CA C 8 55.352 56.071 -0.719 1
1 18 . 15 1 1 A 8 8 LEU CB C 8 42.478 40.631 1.847 1
1 22 . 15 1 1 A 8 8 LEU N N 8 121.686 123.192 -1.506 1
1 23 . 15 1 1 A 9 9 LYS H H 9 8.309 7.781 0.528 1
1 24 . 15 1 1 A 9 9 LYS HA H 9 4.319 4.312 0.007 1
1 29 . 15 1 1 A 9 9 LYS CA C 9 56.195 56.619 -0.424 1
1 30 . 15 1 1 A 9 9 LYS CB C 9 32.820 32.811 0.009 1
1 34 . 15 1 1 A 9 9 LYS N N 9 122.335 117.415 4.920 1
1 35 . 15 1 1 A 10 10 ARG HA H 10 4.306 5.089 -0.783 1
1 42 . 15 1 1 A 10 10 ARG C C 10 175.845 173.774 2.071 1
1 43 . 15 1 1 A 10 10 ARG CA C 10 56.146 54.823 1.323 1
1 44 . 15 1 1 A 10 10 ARG CB C 10 31.005 33.035 -2.030 1
1 47 . 15 1 1 A 11 11 ASP H H 11 8.293 8.922 -0.629 1
1 48 . 15 1 1 A 11 11 ASP HA H 11 4.582 5.488 -0.906 1
1 51 . 15 1 1 A 11 11 ASP C C 11 175.382 175.031 0.351 1
1 52 . 15 1 1 A 11 11 ASP CA C 11 54.612 52.432 2.180 1
1 53 . 15 1 1 A 11 11 ASP CB C 11 41.572 44.010 -2.438 1
1 54 . 15 1 1 A 11 11 ASP N N 11 120.563 119.321 1.242 1
1 55 . 15 1 1 A 12 12 PHE H H 12 7.961 8.210 -0.249 1
1 56 . 15 1 1 A 12 12 PHE HA H 12 4.758 5.527 -0.769 1
1 63 . 15 1 1 A 12 12 PHE C C 12 175.068 173.332 1.736 1
1 64 . 15 1 1 A 12 12 PHE CA C 12 58.990 55.305 3.685 1
1 65 . 15 1 1 A 12 12 PHE CB C 12 40.037 41.478 -1.441 1
1 70 . 15 1 1 A 12 12 PHE N N 12 118.808 116.911 1.897 1
1 71 . 15 1 1 A 13 13 ILE H H 13 8.167 8.949 -0.782 1
1 72 . 15 1 1 A 13 13 ILE HA H 13 4.167 4.773 -0.606 1
1 82 . 15 1 1 A 13 13 ILE C C 13 175.712 173.854 1.858 1
1 83 . 15 1 1 A 13 13 ILE CA C 13 60.976 60.275 0.701 1
1 84 . 15 1 1 A 13 13 ILE CB C 13 39.277 40.835 -1.558 1
1 88 . 15 1 1 A 13 13 ILE N N 13 122.190 123.900 -1.710 1
1 89 . 15 1 1 A 14 14 ILE H H 14 8.287 9.134 -0.847 1
1 90 . 15 1 1 A 14 14 ILE HA H 14 4.163 4.830 -0.667 1
1 100 . 15 1 1 A 14 14 ILE C C 14 176.116 174.645 1.471 1
1 101 . 15 1 1 A 14 14 ILE CA C 14 61.142 59.862 1.280 1
1 102 . 15 1 1 A 14 14 ILE CB C 14 38.438 39.996 -1.558 1
1 106 . 15 1 1 A 14 14 ILE N N 14 125.550 129.434 -3.884 1
1 107 . 15 1 1 A 15 15 LEU H H 15 8.398 9.116 -0.718 1
1 108 . 15 1 1 A 15 15 LEU HA H 15 4.397 4.701 -0.304 1
1 118 . 15 1 1 A 15 15 LEU C C 15 177.749 176.210 1.539 1
1 119 . 15 1 1 A 15 15 LEU CA C 15 55.123 53.727 1.396 1
1 120 . 15 1 1 A 15 15 LEU CB C 15 42.560 41.684 0.876 1
1 124 . 15 1 1 A 15 15 LEU N N 15 127.408 128.742 -1.334 1
1 125 . 15 1 1 A 16 16 GLY H H 16 8.347 8.461 -0.114 1
1 126 . 15 1 1 A 16 16 GLY HA2 H 16 3.964 4.160 -0.196 1
1 127 . 15 1 1 A 16 16 GLY HA3 H 16 3.964 4.163 -0.199 1
1 128 . 15 1 1 A 16 16 GLY C C 16 172.979 173.132 -0.153 1
1 129 . 15 1 1 A 16 16 GLY CA C 16 45.286 45.747 -0.461 1
1 130 . 15 1 1 A 16 16 GLY N N 16 109.546 111.515 -1.969 1
1 131 . 15 1 1 A 17 17 ASN H H 17 7.974 8.187 -0.213 1
1 132 . 15 1 1 A 17 17 ASN HA H 17 4.577 5.252 -0.675 1
1 137 . 15 1 1 A 17 17 ASN C C 17 175.869 174.450 1.419 1
1 138 . 15 1 1 A 17 17 ASN CA C 17 54.665 51.782 2.883 1
1 139 . 15 1 1 A 17 17 ASN CB C 17 40.830 39.949 0.881 1
1 140 . 15 1 1 A 17 17 ASN N N 17 124.057 119.637 4.420 1
1 142 . 15 1 1 A 18 18 GLY H H 18 8.150 8.406 -0.256 1
1 143 . 15 1 1 A 18 18 GLY HA2 H 18 4.073 4.375 -0.302 1
1 144 . 15 1 1 A 18 18 GLY HA3 H 18 4.073 4.375 -0.302 1
1 145 . 15 1 1 A 18 18 GLY C C 18 172.372 173.326 -0.954 1
1 146 . 15 1 1 A 18 18 GLY CA C 18 44.898 45.760 -0.862 1
1 147 . 15 1 1 A 18 18 GLY N N 18 113.988 113.276 0.712 1
1 148 . 15 1 1 A 19 19 PRO HA H 19 4.441 4.579 -0.138 1
1 155 . 15 1 1 A 19 19 PRO C C 19 177.039 176.660 0.379 1
1 156 . 15 1 1 A 19 19 PRO CA C 19 63.268 63.882 -0.614 1
1 157 . 15 1 1 A 19 19 PRO CB C 19 32.159 31.603 0.556 1
1 160 . 15 1 1 A 20 20 ARG H H 20 8.414 8.240 0.174 1
1 161 . 15 1 1 A 20 20 ARG HA H 20 4.339 4.273 0.066 1
1 167 . 15 1 1 A 20 20 ARG C C 20 176.312 175.646 0.666 1
1 168 . 15 1 1 A 20 20 ARG CA C 20 56.111 56.086 0.025 1
1 169 . 15 1 1 A 20 20 ARG CB C 20 30.612 29.856 0.756 1
1 172 . 15 1 1 A 20 20 ARG N N 20 120.839 120.436 0.403 1
1 173 . 15 1 1 A 21 21 LEU H H 21 8.306 8.703 -0.397 1
1 174 . 15 1 1 A 21 21 LEU HA H 21 4.405 4.468 -0.063 1
1 183 . 15 1 1 A 21 21 LEU C C 21 177.403 176.774 0.629 1
1 184 . 15 1 1 A 21 21 LEU CA C 21 55.141 56.543 -1.402 1
1 185 . 15 1 1 A 21 21 LEU CB C 21 42.190 43.791 -1.601 1
1 189 . 15 1 1 A 21 21 LEU N N 21 123.561 129.446 -5.885 1
1 190 . 15 1 1 A 22 22 GLN H H 22 8.406 7.967 0.439 1
1 191 . 15 1 1 A 22 22 GLN HA H 22 4.336 4.517 -0.181 1
1 198 . 15 1 1 A 22 22 GLN C C 22 175.699 173.955 1.744 1
1 199 . 15 1 1 A 22 22 GLN CA C 22 56.181 54.844 1.337 1
1 200 . 15 1 1 A 22 22 GLN CB C 22 29.492 29.402 0.090 1
1 202 . 15 1 1 A 22 22 GLN N N 22 120.835 117.525 3.310 1
1 204 . 15 1 1 A 24 24 SER HA H 24 4.451 5.428 -0.977 1
1 207 . 15 1 1 A 24 24 SER C C 24 173.514 173.177 0.337 1
1 208 . 15 1 1 A 24 24 SER CA C 24 58.579 56.680 1.899 1
1 209 . 15 1 1 A 24 24 SER CB C 24 63.967 65.593 -1.626 1
1 210 . 15 1 1 A 25 25 THR H H 25 7.806 9.058 -1.252 1
1 211 . 15 1 1 A 25 25 THR HA H 25 4.348 5.578 -1.230 1
1 216 . 15 1 1 A 25 25 THR C C 25 173.359 172.114 1.245 1
1 217 . 15 1 1 A 25 25 THR CA C 25 61.593 59.647 1.946 1
1 218 . 15 1 1 A 25 25 THR CB C 25 70.716 71.923 -1.207 1
1 220 . 15 1 1 A 25 25 THR N N 25 114.185 114.403 -0.218 1
1 221 . 15 1 1 A 26 26 TYR H H 26 8.598 9.593 -0.995 1
1 222 . 15 1 1 A 26 26 TYR HA H 26 4.670 5.032 -0.362 1
1 229 . 15 1 1 A 26 26 TYR C C 26 174.444 174.886 -0.442 1
1 230 . 15 1 1 A 26 26 TYR CA C 26 56.798 57.118 -0.320 1
1 231 . 15 1 1 A 26 26 TYR CB C 26 39.717 40.154 -0.437 1
1 236 . 15 1 1 A 26 26 TYR N N 26 121.326 122.335 -1.009 1
1 237 . 15 1 1 A 27 27 GLN H H 27 8.528 8.698 -0.170 1
1 238 . 15 1 1 A 27 27 GLN HA H 27 4.670 4.944 -0.274 1
1 245 . 15 1 1 A 27 27 GLN C C 27 175.055 175.042 0.013 1
1 246 . 15 1 1 A 27 27 GLN CA C 27 54.718 54.299 0.419 1
1 247 . 15 1 1 A 27 27 GLN CB C 27 30.938 28.750 2.188 1
1 249 . 15 1 1 A 27 27 GLN N N 27 123.045 124.256 -1.211 1
1 251 . 15 1 1 A 28 28 CYS H H 28 8.682 8.227 0.455 1
1 252 . 15 1 1 A 28 28 CYS HA H 28 4.331 4.364 -0.033 1
1 255 . 15 1 1 A 28 28 CYS C C 28 176.610 176.794 -0.184 1
1 256 . 15 1 1 A 28 28 CYS CA C 28 60.394 60.110 0.284 1
1 257 . 15 1 1 A 28 28 CYS CB C 28 29.850 28.747 1.103 1
1 258 . 15 1 1 A 28 28 CYS N N 28 129.276 126.110 3.166 1
1 259 . 15 1 1 A 29 29 LYS H H 29 8.454 8.410 0.044 1
1 260 . 15 1 1 A 29 29 LYS HA H 29 4.257 4.380 -0.123 1
1 269 . 15 1 1 A 29 29 LYS C C 29 176.581 175.772 0.809 1
1 270 . 15 1 1 A 29 29 LYS CA C 29 57.584 57.486 0.098 1
1 271 . 15 1 1 A 29 29 LYS CB C 29 32.145 32.247 -0.102 1
1 275 . 15 1 1 A 29 29 LYS N N 29 127.445 123.536 3.909 1
1 276 . 15 1 1 A 30 30 HIS H H 30 9.625 8.128 1.497 1
1 277 . 15 1 1 A 30 30 HIS HA H 30 4.608 4.729 -0.121 1
1 281 . 15 1 1 A 30 30 HIS C C 30 175.524 176.299 -0.775 1
1 282 . 15 1 1 A 30 30 HIS CA C 30 56.956 57.039 -0.083 1
1 283 . 15 1 1 A 30 30 HIS CB C 30 30.732 31.754 -1.022 1
1 285 . 15 1 1 A 30 30 HIS N N 30 121.657 116.477 5.180 1
1 286 . 15 1 1 A 31 31 CYS H H 31 8.086 8.148 -0.062 1
1 287 . 15 1 1 A 31 31 CYS HA H 31 5.078 4.529 0.549 1
1 290 . 15 1 1 A 31 31 CYS C C 31 173.769 174.804 -1.035 1
1 291 . 15 1 1 A 31 31 CYS CA C 31 58.349 58.464 -0.115 1
1 292 . 15 1 1 A 31 31 CYS CB C 31 31.268 29.921 1.347 1
1 293 . 15 1 1 A 31 31 CYS N N 31 118.457 113.181 5.276 1
1 294 . 15 1 1 A 32 32 ASP H H 32 8.135 8.210 -0.075 1
1 295 . 15 1 1 A 32 32 ASP HA H 32 4.637 4.428 0.209 1
1 298 . 15 1 1 A 32 32 ASP C C 32 176.540 175.635 0.905 1
1 299 . 15 1 1 A 32 32 ASP CA C 32 55.687 55.208 0.479 1
1 300 . 15 1 1 A 32 32 ASP CB C 32 40.418 39.278 1.140 1
1 301 . 15 1 1 A 32 32 ASP N N 32 116.820 120.966 -4.146 1
1 302 . 15 1 1 A 33 33 SER H H 33 8.667 7.891 0.776 1
1 303 . 15 1 1 A 33 33 SER HA H 33 4.267 4.673 -0.406 1
1 306 . 15 1 1 A 33 33 SER C C 33 172.462 173.111 -0.649 1
1 307 . 15 1 1 A 33 33 SER CA C 33 61.452 56.400 5.052 1
1 308 . 15 1 1 A 33 33 SER CB C 33 63.893 65.274 -1.381 1
1 309 . 15 1 1 A 33 33 SER N N 33 119.488 113.338 6.150 1
1 310 . 15 1 1 A 34 34 LYS H H 34 8.389 8.330 0.059 1
1 311 . 15 1 1 A 34 34 LYS HA H 34 4.747 5.460 -0.713 1
1 320 . 15 1 1 A 34 34 LYS C C 34 175.517 175.175 0.342 1
1 321 . 15 1 1 A 34 34 LYS CA C 34 55.476 54.742 0.734 1
1 322 . 15 1 1 A 34 34 LYS CB C 34 33.526 35.129 -1.603 1
1 326 . 15 1 1 A 34 34 LYS N N 34 122.954 121.229 1.725 1
1 327 . 15 1 1 A 35 35 LEU H H 35 8.825 8.824 0.001 1
1 328 . 15 1 1 A 35 35 LEU HA H 35 4.847 4.888 -0.041 1
1 338 . 15 1 1 A 35 35 LEU C C 35 177.476 177.669 -0.193 1
1 339 . 15 1 1 A 35 35 LEU CA C 35 52.673 53.082 -0.409 1
1 340 . 15 1 1 A 35 35 LEU CB C 35 42.115 44.467 -2.352 1
1 344 . 15 1 1 A 35 35 LEU N N 35 126.489 125.753 0.736 1
1 345 . 15 1 1 A 36 36 GLN H H 36 8.883 8.834 0.049 1
1 346 . 15 1 1 A 36 36 GLN HA H 36 4.565 4.200 0.365 1
1 353 . 15 1 1 A 36 36 GLN C C 36 175.227 174.901 0.326 1
1 354 . 15 1 1 A 36 36 GLN CA C 36 56.763 58.114 -1.351 1
1 355 . 15 1 1 A 36 36 GLN CB C 36 30.225 29.349 0.876 1
1 357 . 15 1 1 A 36 36 GLN N N 36 116.410 122.963 -6.553 1
1 359 . 15 1 1 A 37 37 SER H H 37 7.345 7.238 0.107 1
1 360 . 15 1 1 A 37 37 SER HA H 37 4.569 4.303 0.266 1
1 363 . 15 1 1 A 37 37 SER C C 37 179.414 173.468 5.946 1
1 364 . 15 1 1 A 37 37 SER CA C 37 56.780 57.019 -0.239 1
1 365 . 15 1 1 A 37 37 SER CB C 37 66.444 66.805 -0.361 1
1 366 . 15 1 1 A 37 37 SER N N 37 110.125 110.584 -0.459 1
1 367 . 15 1 1 A 38 38 THR H H 38 8.099 8.430 -0.331 1
1 368 . 15 1 1 A 38 38 THR HA H 38 3.627 3.570 0.057 1
1 373 . 15 1 1 A 38 38 THR CA C 38 65.831 66.227 -0.396 1
1 374 . 15 1 1 A 38 38 THR CB C 38 68.118 68.668 -0.550 1
1 376 . 15 1 1 A 38 38 THR N N 38 121.696 116.041 5.655 1
1 377 . 15 1 1 A 39 39 ALA HA H 39 4.155 4.023 0.132 1
1 381 . 15 1 1 A 39 39 ALA C C 39 180.623 179.386 1.237 1
1 382 . 15 1 1 A 39 39 ALA CA C 39 55.406 55.331 0.075 1
1 383 . 15 1 1 A 39 39 ALA CB C 39 18.098 18.617 -0.519 1
1 384 . 15 1 1 A 40 40 GLU H H 40 7.881 7.764 0.117 1
1 385 . 15 1 1 A 40 40 GLU HA H 40 4.114 4.137 -0.023 1
1 390 . 15 1 1 A 40 40 GLU C C 40 179.352 178.906 0.446 1
1 391 . 15 1 1 A 40 40 GLU CA C 40 58.914 59.090 -0.176 1
1 392 . 15 1 1 A 40 40 GLU CB C 40 30.822 29.710 1.112 1
1 394 . 15 1 1 A 40 40 GLU N N 40 118.475 117.937 0.538 1
1 395 . 15 1 1 A 41 41 LEU H H 41 8.096 7.908 0.188 1
1 396 . 15 1 1 A 41 41 LEU HA H 41 4.115 4.008 0.107 1
1 406 . 15 1 1 A 41 41 LEU C C 41 177.620 178.894 -1.274 1
1 407 . 15 1 1 A 41 41 LEU CA C 41 58.841 58.137 0.704 1
1 408 . 15 1 1 A 41 41 LEU CB C 41 41.442 41.401 0.041 1
1 412 . 15 1 1 A 41 41 LEU N N 41 121.715 122.394 -0.679 1
1 413 . 15 1 1 A 42 42 THR H H 42 8.599 8.326 0.273 1
1 414 . 15 1 1 A 42 42 THR HA H 42 3.860 3.896 -0.036 1
1 419 . 15 1 1 A 42 42 THR C C 42 176.761 176.547 0.214 1
1 420 . 15 1 1 A 42 42 THR CA C 42 67.345 65.970 1.375 1
1 421 . 15 1 1 A 42 42 THR CB C 42 68.758 68.854 -0.096 1
1 423 . 15 1 1 A 42 42 THR N N 42 115.801 114.972 0.829 1
1 424 . 15 1 1 A 43 43 SER H H 43 7.833 7.904 -0.071 1
1 425 . 15 1 1 A 43 43 SER HA H 43 4.251 4.307 -0.056 1
1 428 . 15 1 1 A 43 43 SER C C 43 176.836 176.955 -0.119 1
1 429 . 15 1 1 A 43 43 SER CA C 43 61.646 61.250 0.396 1
1 430 . 15 1 1 A 43 43 SER CB C 43 62.750 62.843 -0.093 1
1 431 . 15 1 1 A 43 43 SER N N 43 115.657 116.525 -0.868 1
1 432 . 15 1 1 A 44 44 HIS H H 44 8.415 8.359 0.056 1
1 433 . 15 1 1 A 44 44 HIS HA H 44 4.182 4.070 0.112 1
1 438 . 15 1 1 A 44 44 HIS C C 44 177.125 177.074 0.051 1
1 439 . 15 1 1 A 44 44 HIS CA C 44 60.094 60.144 -0.050 1
1 440 . 15 1 1 A 44 44 HIS CB C 44 28.846 29.936 -1.090 1
1 443 . 15 1 1 A 44 44 HIS N N 44 122.271 122.010 0.261 1
1 444 . 15 1 1 A 45 45 LEU H H 45 8.854 8.926 -0.072 1
1 445 . 15 1 1 A 45 45 LEU HA H 45 4.100 3.728 0.372 1
1 455 . 15 1 1 A 45 45 LEU C C 45 179.448 178.801 0.647 1
1 456 . 15 1 1 A 45 45 LEU CA C 45 58.297 58.158 0.139 1
1 457 . 15 1 1 A 45 45 LEU CB C 45 41.666 41.462 0.204 1
1 461 . 15 1 1 A 45 45 LEU N N 45 118.289 119.875 -1.586 1
1 462 . 15 1 1 A 46 46 ASN H H 46 7.730 8.356 -0.626 1
1 463 . 15 1 1 A 46 46 ASN HA H 46 4.502 4.789 -0.287 1
1 468 . 15 1 1 A 46 46 ASN C C 46 177.759 178.049 -0.290 1
1 469 . 15 1 1 A 46 46 ASN CA C 46 56.163 56.484 -0.321 1
1 470 . 15 1 1 A 46 46 ASN CB C 46 38.069 37.900 0.169 1
1 471 . 15 1 1 A 46 46 ASN N N 46 117.155 116.312 0.843 1
1 473 . 15 1 1 A 47 47 ILE H H 47 7.670 7.698 -0.028 1
1 474 . 15 1 1 A 47 47 ILE HA H 47 3.787 3.553 0.234 1
1 484 . 15 1 1 A 47 47 ILE C C 47 178.447 178.253 0.194 1
1 485 . 15 1 1 A 47 47 ILE CA C 47 64.273 65.263 -0.990 1
1 486 . 15 1 1 A 47 47 ILE CB C 47 37.214 37.734 -0.520 1
1 490 . 15 1 1 A 47 47 ILE N N 47 119.392 119.533 -0.141 1
1 491 . 15 1 1 A 48 48 HIS H H 48 6.999 8.006 -1.007 1
1 492 . 15 1 1 A 48 48 HIS HA H 48 4.437 4.225 0.212 1
1 497 . 15 1 1 A 48 48 HIS C C 48 175.932 177.719 -1.787 1
1 498 . 15 1 1 A 48 48 HIS CA C 48 56.855 59.391 -2.536 1
1 499 . 15 1 1 A 48 48 HIS CB C 48 27.971 29.910 -1.939 1
1 502 . 15 1 1 A 48 48 HIS N N 48 116.931 119.358 -2.427 1
1 503 . 15 1 1 A 49 49 ASN H H 49 8.059 8.140 -0.081 1
1 504 . 15 1 1 A 49 49 ASN HA H 49 4.555 4.499 0.056 1
1 509 . 15 1 1 A 49 49 ASN C C 49 177.139 178.533 -1.394 1
1 510 . 15 1 1 A 49 49 ASN CA C 49 55.552 55.968 -0.416 1
1 511 . 15 1 1 A 49 49 ASN CB C 49 38.495 38.065 0.430 1
1 512 . 15 1 1 A 49 49 ASN N N 49 118.208 116.592 1.616 1
1 514 . 15 1 1 A 50 50 GLU H H 50 8.336 8.644 -0.308 1
1 515 . 15 1 1 A 50 50 GLU HA H 50 4.090 4.027 0.063 1
1 520 . 15 1 1 A 50 50 GLU C C 50 178.637 179.545 -0.908 1
1 521 . 15 1 1 A 50 50 GLU CA C 50 59.246 59.665 -0.419 1
1 522 . 15 1 1 A 50 50 GLU CB C 50 29.582 29.290 0.292 1
1 524 . 15 1 1 A 50 50 GLU N N 50 121.316 119.612 1.704 1
1 525 . 15 1 1 A 51 51 GLU H H 51 7.932 7.993 -0.061 1
1 526 . 15 1 1 A 51 51 GLU HA H 51 4.093 4.051 0.042 1
1 531 . 15 1 1 A 51 51 GLU C C 51 179.088 179.110 -0.022 1
1 532 . 15 1 1 A 51 51 GLU CA C 51 59.037 58.859 0.178 1
1 533 . 15 1 1 A 51 51 GLU CB C 51 29.183 29.619 -0.436 1
1 535 . 15 1 1 A 51 51 GLU N N 51 120.058 119.872 0.186 1
1 536 . 15 1 1 A 52 52 PHE H H 52 8.345 8.655 -0.310 1
1 537 . 15 1 1 A 52 52 PHE HA H 52 4.411 4.243 0.168 1
1 545 . 15 1 1 A 52 52 PHE C C 52 178.654 177.277 1.377 1
1 546 . 15 1 1 A 52 52 PHE CA C 52 59.523 61.711 -2.188 1
1 547 . 15 1 1 A 52 52 PHE CB C 52 38.261 39.157 -0.896 1
1 553 . 15 1 1 A 52 52 PHE N N 52 119.698 121.404 -1.706 1
1 554 . 15 1 1 A 53 53 GLN H H 53 8.197 8.645 -0.448 1
1 555 . 15 1 1 A 53 53 GLN HA H 53 4.153 3.874 0.279 1
1 562 . 15 1 1 A 53 53 GLN C C 53 178.059 178.539 -0.480 1
1 563 . 15 1 1 A 53 53 GLN CA C 53 58.120 59.211 -1.091 1
1 564 . 15 1 1 A 53 53 GLN CB C 53 28.591 28.223 0.368 1
1 566 . 15 1 1 A 53 53 GLN N N 53 118.967 117.782 1.185 1
1 568 . 15 1 1 A 54 54 LYS H H 54 8.008 7.628 0.380 1
1 569 . 15 1 1 A 54 54 LYS HA H 54 4.118 3.991 0.127 1
1 577 . 15 1 1 A 54 54 LYS C C 54 178.686 179.058 -0.372 1
1 578 . 15 1 1 A 54 54 LYS CA C 54 59.002 59.864 -0.862 1
1 579 . 15 1 1 A 54 54 LYS CB C 54 32.608 32.332 0.276 1
1 583 . 15 1 1 A 54 54 LYS N N 54 119.791 119.713 0.078 1
1 584 . 15 1 1 A 55 55 ARG H H 55 7.978 7.347 0.631 1
1 585 . 15 1 1 A 55 55 ARG HA H 55 4.136 4.011 0.125 1
1 592 . 15 1 1 A 55 55 ARG C C 55 177.610 176.049 1.561 1
1 593 . 15 1 1 A 55 55 ARG CA C 55 58.183 58.869 -0.686 1
1 594 . 15 1 1 A 55 55 ARG CB C 55 30.410 30.015 0.395 1
1 597 . 15 1 1 A 55 55 ARG N N 55 119.619 119.759 -0.140 1
1 598 . 15 1 1 A 56 56 ALA H H 56 8.008 7.491 0.517 1
1 599 . 15 1 1 A 56 56 ALA HA H 56 4.196 3.289 0.907 1
1 603 . 15 1 1 A 56 56 ALA C C 56 179.269 176.358 2.911 1
1 604 . 15 1 1 A 56 56 ALA CA C 56 53.930 52.607 1.323 1
1 605 . 15 1 1 A 56 56 ALA CB C 56 18.539 16.966 1.573 1
1 606 . 15 1 1 A 56 56 ALA N N 56 122.850 119.565 3.285 1
1 607 . 15 1 1 A 57 57 LYS H H 57 8.014 7.735 0.279 1
1 608 . 15 1 1 A 57 57 LYS HA H 57 4.225 4.233 -0.008 1
1 617 . 15 1 1 A 57 57 LYS C C 57 177.892 177.661 0.231 1
1 618 . 15 1 1 A 57 57 LYS CA C 57 57.504 56.861 0.643 1
1 619 . 15 1 1 A 57 57 LYS CB C 57 32.646 33.048 -0.402 1
1 623 . 15 1 1 A 57 57 LYS N N 57 118.986 117.454 1.532 1
1 624 . 15 1 1 A 58 58 ARG H H 58 8.039 8.622 -0.583 1
1 625 . 15 1 1 A 58 58 ARG HA H 58 4.229 4.003 0.226 1
1 632 . 15 1 1 A 58 58 ARG C C 58 177.156 177.039 0.117 1
1 633 . 15 1 1 A 58 58 ARG CA C 58 57.425 59.417 -1.992 1
1 634 . 15 1 1 A 58 58 ARG CB C 58 30.561 30.366 0.195 1
1 637 . 15 1 1 A 58 58 ARG N N 58 120.747 122.382 -1.635 1
1 638 . 15 1 1 A 59 59 GLN H H 59 8.195 7.796 0.399 1
1 639 . 15 1 1 A 59 59 GLN HA H 59 4.228 4.636 -0.408 1
1 644 . 15 1 1 A 59 59 GLN CA C 59 57.412 55.826 1.586 1
1 645 . 15 1 1 A 59 59 GLN CB C 59 32.773 29.729 3.044 1
1 647 . 15 1 1 A 59 59 GLN N N 59 121.145 117.510 3.635 1
1 648 . 15 1 1 A 60 60 GLU HA H 60 4.256 4.982 -0.726 1
1 653 . 15 1 1 A 60 60 GLU CA C 60 56.093 54.492 1.601 1
1 654 . 15 1 1 A 60 60 GLU CB C 60 29.429 34.014 -4.585 1
1 656 . 15 1 1 A 63 63 LYS HA H 63 4.263 5.089 -0.826 1
1 663 . 15 1 1 A 63 63 LYS CA C 63 56.908 54.663 2.245 1
1 664 . 15 1 1 A 63 63 LYS CB C 63 32.778 36.366 -3.588 1
1 665 . 15 1 1 A 64 64 GLN H H 64 8.261 8.615 -0.354 1
1 666 . 15 1 1 A 64 64 GLN HA H 64 4.253 4.951 -0.698 1
1 673 . 15 1 1 A 64 64 GLN C C 64 176.687 174.191 2.496 1
1 674 . 15 1 1 A 64 64 GLN CA C 64 56.780 55.084 1.696 1
1 675 . 15 1 1 A 64 64 GLN CB C 64 29.198 30.521 -1.323 1
1 677 . 15 1 1 A 64 64 GLN N N 64 120.299 119.324 0.975 1
1 679 . 15 1 1 A 65 65 LEU H H 65 8.190 8.923 -0.733 1
1 680 . 15 1 1 A 65 65 LEU HA H 65 4.306 5.284 -0.978 1
1 690 . 15 1 1 A 65 65 LEU C C 65 177.894 174.737 3.157 1
1 691 . 15 1 1 A 65 65 LEU CA C 65 55.952 53.321 2.631 1
1 692 . 15 1 1 A 65 65 LEU CB C 65 42.313 45.834 -3.521 1
1 696 . 15 1 1 A 65 65 LEU N N 65 122.723 124.286 -1.563 1
1 697 . 15 1 1 A 66 66 LEU H H 66 8.165 8.882 -0.717 1
1 698 . 15 1 1 A 66 66 LEU HA H 66 4.305 5.085 -0.780 1
1 708 . 15 1 1 A 66 66 LEU C C 66 177.867 175.799 2.068 1
1 709 . 15 1 1 A 66 66 LEU CA C 66 55.775 53.578 2.197 1
1 710 . 15 1 1 A 66 66 LEU CB C 66 42.336 44.299 -1.963 1
1 714 . 15 1 1 A 66 66 LEU N N 66 121.812 127.455 -5.643 1
1 715 . 15 1 1 A 67 67 SER H H 67 8.104 8.533 -0.429 1
1 716 . 15 1 1 A 67 67 SER CA C 67 58.896 59.569 -0.673 1
1 717 . 15 1 1 A 67 67 SER CB C 67 63.674 64.368 -0.694 1
1 718 . 15 1 1 A 67 67 SER N N 67 115.632 118.021 -2.389 1
1 719 . 15 1 1 A 69 69 GLN HA H 69 4.221 4.516 -0.295 1
1 724 . 15 1 1 A 69 69 GLN CA C 69 57.547 57.462 0.085 1
1 725 . 15 1 1 A 69 69 GLN CB C 69 30.314 31.133 -0.819 1
1 727 . 15 1 1 A 70 70 LYS H H 70 8.255 7.619 0.636 1
1 728 . 15 1 1 A 70 70 LYS HA H 70 4.220 5.049 -0.829 1
1 737 . 15 1 1 A 70 70 LYS C C 70 176.303 174.829 1.474 1
1 738 . 15 1 1 A 70 70 LYS CA C 70 56.639 54.724 1.915 1
1 739 . 15 1 1 A 70 70 LYS CB C 70 33.080 37.112 -4.032 1
1 743 . 15 1 1 A 70 70 LYS N N 70 121.417 116.927 4.490 1
1 744 . 15 1 1 A 71 71 TYR H H 71 8.142 8.574 -0.432 1
1 745 . 15 1 1 A 71 71 TYR HA H 71 4.571 5.466 -0.895 1
1 752 . 15 1 1 A 71 71 TYR C C 71 175.736 175.282 0.454 1
1 753 . 15 1 1 A 71 71 TYR CA C 71 57.768 56.731 1.037 1
1 754 . 15 1 1 A 71 71 TYR CB C 71 38.894 43.188 -4.294 1
1 759 . 15 1 1 A 71 71 TYR N N 71 120.561 118.182 2.379 1
1 760 . 15 1 1 A 72 72 ALA H H 72 8.237 8.522 -0.285 1
1 761 . 15 1 1 A 72 72 ALA HA H 72 4.292 4.827 -0.535 1
1 765 . 15 1 1 A 72 72 ALA C C 72 177.276 176.799 0.477 1
1 766 . 15 1 1 A 72 72 ALA CA C 72 52.642 51.790 0.852 1
1 767 . 15 1 1 A 72 72 ALA CB C 72 19.405 20.515 -1.110 1
1 768 . 15 1 1 A 72 72 ALA N N 72 125.192 123.614 1.578 1
1 769 . 15 1 1 A 73 73 ASP H H 73 8.220 9.011 -0.791 1
1 770 . 15 1 1 A 73 73 ASP HA H 73 4.549 4.723 -0.174 1
1 773 . 15 1 1 A 73 73 ASP C C 73 176.922 176.222 0.700 1
1 774 . 15 1 1 A 73 73 ASP CA C 73 54.682 55.269 -0.587 1
1 775 . 15 1 1 A 73 73 ASP CB C 73 41.239 42.659 -1.420 1
1 776 . 15 1 1 A 73 73 ASP N N 73 119.269 124.555 -5.286 1
1 777 . 15 1 1 A 74 74 GLY H H 74 8.269 7.851 0.418 1
1 778 . 15 1 1 A 74 74 GLY HA2 H 74 3.963 4.060 -0.097 1
1 779 . 15 1 1 A 74 74 GLY HA3 H 74 3.879 4.072 -0.193 1
1 780 . 15 1 1 A 74 74 GLY C C 74 174.132 172.240 1.892 1
1 781 . 15 1 1 A 74 74 GLY CA C 74 45.551 44.576 0.975 1
1 782 . 15 1 1 A 74 74 GLY N N 74 109.209 105.951 3.258 1
1 783 . 15 1 1 A 75 75 ALA H H 75 8.048 8.320 -0.272 1
1 784 . 15 1 1 A 75 75 ALA HA H 75 4.221 4.941 -0.720 1
1 788 . 15 1 1 A 75 75 ALA C C 75 177.507 175.658 1.849 1
1 789 . 15 1 1 A 75 75 ALA CA C 75 52.638 51.462 1.176 1
1 790 . 15 1 1 A 75 75 ALA CB C 75 19.281 22.976 -3.695 1
1 791 . 15 1 1 A 75 75 ALA N N 75 123.382 120.327 3.055 1
1 792 . 15 1 1 A 76 76 PHE H H 76 8.126 8.458 -0.332 1
1 793 . 15 1 1 A 76 76 PHE HA H 76 4.541 5.883 -1.342 1
1 798 . 15 1 1 A 76 76 PHE C C 76 175.620 173.491 2.129 1
1 799 . 15 1 1 A 76 76 PHE CA C 76 57.733 55.340 2.393 1
1 800 . 15 1 1 A 76 76 PHE CB C 76 39.429 42.770 -3.341 1
1 801 . 15 1 1 A 76 76 PHE N N 76 118.540 116.488 2.052 1
1 802 . 15 1 1 A 77 77 ALA H H 77 8.017 8.845 -0.828 1
1 803 . 15 1 1 A 77 77 ALA HA H 77 4.207 5.050 -0.843 1
1 807 . 15 1 1 A 77 77 ALA C C 77 176.990 175.118 1.872 1
1 808 . 15 1 1 A 77 77 ALA CA C 77 52.602 51.777 0.825 1
1 809 . 15 1 1 A 77 77 ALA CB C 77 19.528 23.501 -3.973 1
1 810 . 15 1 1 A 77 77 ALA N N 77 124.826 120.580 4.246 1
1 811 . 15 1 1 A 78 78 ASP H H 78 8.061 8.957 -0.896 1
1 812 . 15 1 1 A 78 78 ASP HA H 78 4.538 5.560 -1.022 1
1 815 . 15 1 1 A 78 78 ASP C C 78 175.908 174.668 1.240 1
1 816 . 15 1 1 A 78 78 ASP CA C 78 54.189 53.089 1.100 1
1 817 . 15 1 1 A 78 78 ASP CB C 78 41.242 42.241 -0.999 1
1 818 . 15 1 1 A 78 78 ASP N N 78 119.019 120.164 -1.145 1
1 819 . 15 1 1 A 79 79 PHE H H 79 8.023 8.815 -0.792 1
1 820 . 15 1 1 A 79 79 PHE HA H 79 4.586 5.221 -0.635 1
1 825 . 15 1 1 A 79 79 PHE C C 79 175.551 173.243 2.308 1
1 826 . 15 1 1 A 79 79 PHE CA C 79 57.891 56.428 1.463 1
1 827 . 15 1 1 A 79 79 PHE CB C 79 39.484 41.182 -1.698 1
1 828 . 15 1 1 A 79 79 PHE N N 79 120.449 119.465 0.984 1
1 829 . 15 1 1 A 80 80 LYS H H 80 8.161 8.876 -0.715 1
1 830 . 15 1 1 A 80 80 LYS HA H 80 4.251 4.719 -0.468 1
1 836 . 15 1 1 A 80 80 LYS C C 80 176.027 173.902 2.125 1
1 837 . 15 1 1 A 80 80 LYS CA C 80 56.233 54.981 1.252 1
1 838 . 15 1 1 A 80 80 LYS CB C 80 33.084 36.025 -2.941 1
1 842 . 15 1 1 A 80 80 LYS N N 80 123.309 116.937 6.372 1
1 843 . 15 1 1 A 81 81 GLN H H 81 8.329 8.644 -0.315 1
1 844 . 15 1 1 A 81 81 GLN HA H 81 4.284 4.902 -0.618 1
1 851 . 15 1 1 A 81 81 GLN C C 81 176.009 175.087 0.922 1
1 852 . 15 1 1 A 81 81 GLN CA C 81 55.952 54.553 1.399 1
1 853 . 15 1 1 A 81 81 GLN CB C 81 29.623 32.371 -2.748 1
1 855 . 15 1 1 A 81 81 GLN N N 81 121.944 119.215 2.729 1
1 857 . 15 1 1 A 82 82 GLU H H 82 8.542 8.622 -0.080 1
1 858 . 15 1 1 A 82 82 GLU HA H 82 4.350 4.438 -0.088 1
1 862 . 15 1 1 A 82 82 GLU C C 82 176.509 175.273 1.236 1
1 863 . 15 1 1 A 82 82 GLU CA C 82 56.675 56.300 0.375 1
1 864 . 15 1 1 A 82 82 GLU CB C 82 30.447 29.359 1.088 1
1 866 . 15 1 1 A 82 82 GLU N N 82 122.687 124.461 -1.774 1
1 867 . 15 1 1 A 83 83 SER H H 83 8.418 7.559 0.859 1
1 868 . 15 1 1 A 83 83 SER HA H 83 4.516 5.046 -0.530 1
1 871 . 15 1 1 A 83 83 SER C C 83 174.538 173.654 0.884 1
1 872 . 15 1 1 A 83 83 SER CA C 83 58.403 57.154 1.249 1
1 873 . 15 1 1 A 83 83 SER CB C 83 64.018 64.758 -0.740 1
1 874 . 15 1 1 A 83 83 SER N N 83 116.897 117.481 -0.584 1
1 875 . 15 1 1 A 84 84 GLY H H 84 8.276 8.249 0.027 1
1 876 . 15 1 1 A 84 84 GLY C C 84 171.814 172.762 -0.948 1
1 877 . 15 1 1 A 84 84 GLY CA C 84 44.722 44.754 -0.032 1
1 878 . 15 1 1 A 84 84 GLY N N 84 110.673 112.670 -1.997 1
1 879 . 15 1 1 A 85 85 PRO HA H 85 4.497 4.238 0.259 1
1 885 . 15 1 1 A 85 85 PRO C C 85 177.204 176.856 0.348 1
1 886 . 15 1 1 A 85 85 PRO CA C 85 63.290 63.478 -0.188 1
1 887 . 15 1 1 A 85 85 PRO CB C 85 32.228 32.096 0.132 1
1 890 . 15 1 1 A 86 86 SER H H 86 8.331 8.586 -0.255 1
1 891 . 15 1 1 A 86 86 SER HA H 86 4.339 3.939 0.400 1
1 892 . 15 1 1 A 86 86 SER C C 86 174.935 173.040 1.895 1
1 893 . 15 1 1 A 86 86 SER CA C 86 61.769 58.976 2.793 1
1 894 . 15 1 1 A 86 86 SER CB C 86 69.836 61.751 8.085 1
1 895 . 15 1 1 A 86 86 SER N N 86 114.681 112.728 1.953 1
1 896 . 15 1 1 A 87 87 SER H H 87 8.121 8.026 0.095 1
1 897 . 15 1 1 A 87 87 SER CA C 87 61.963 57.021 4.942 1
1 898 . 15 1 1 A 87 87 SER CB C 87 69.818 64.239 5.579 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.975 4.321 -0.346 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.975 4.322 -0.347 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.115 173.095 1.020 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.392 43.870 1.522 1
1 5 . 16 1 1 A 8 8 LEU H H 8 8.037 8.650 -0.613 1
1 6 . 16 1 1 A 8 8 LEU HA H 8 4.347 4.699 -0.352 1
1 16 . 16 1 1 A 8 8 LEU C C 8 177.426 176.668 0.758 1
1 17 . 16 1 1 A 8 8 LEU CA C 8 55.352 53.739 1.613 1
1 18 . 16 1 1 A 8 8 LEU CB C 8 42.478 42.681 -0.203 1
1 22 . 16 1 1 A 8 8 LEU N N 8 121.686 121.483 0.203 1
1 23 . 16 1 1 A 9 9 LYS H H 9 8.309 8.318 -0.009 1
1 24 . 16 1 1 A 9 9 LYS HA H 9 4.319 4.863 -0.544 1
1 29 . 16 1 1 A 9 9 LYS CA C 9 56.195 55.021 1.174 1
1 30 . 16 1 1 A 9 9 LYS CB C 9 32.820 34.771 -1.951 1
1 34 . 16 1 1 A 9 9 LYS N N 9 122.335 120.200 2.135 1
1 35 . 16 1 1 A 10 10 ARG HA H 10 4.306 5.088 -0.782 1
1 42 . 16 1 1 A 10 10 ARG C C 10 175.845 174.772 1.073 1
1 43 . 16 1 1 A 10 10 ARG CA C 10 56.146 54.320 1.826 1
1 44 . 16 1 1 A 10 10 ARG CB C 10 31.005 34.837 -3.832 1
1 47 . 16 1 1 A 11 11 ASP H H 11 8.293 8.914 -0.621 1
1 48 . 16 1 1 A 11 11 ASP HA H 11 4.582 5.343 -0.761 1
1 51 . 16 1 1 A 11 11 ASP C C 11 175.382 175.261 0.121 1
1 52 . 16 1 1 A 11 11 ASP CA C 11 54.612 52.477 2.135 1
1 53 . 16 1 1 A 11 11 ASP CB C 11 41.572 45.074 -3.502 1
1 54 . 16 1 1 A 11 11 ASP N N 11 120.563 119.987 0.576 1
1 55 . 16 1 1 A 12 12 PHE H H 12 7.961 8.171 -0.210 1
1 56 . 16 1 1 A 12 12 PHE HA H 12 4.758 5.228 -0.470 1
1 63 . 16 1 1 A 12 12 PHE C C 12 175.068 174.319 0.749 1
1 64 . 16 1 1 A 12 12 PHE CA C 12 58.990 55.084 3.906 1
1 65 . 16 1 1 A 12 12 PHE CB C 12 40.037 41.833 -1.796 1
1 70 . 16 1 1 A 12 12 PHE N N 12 118.808 117.512 1.296 1
1 71 . 16 1 1 A 13 13 ILE H H 13 8.167 8.487 -0.320 1
1 72 . 16 1 1 A 13 13 ILE HA H 13 4.167 4.244 -0.077 1
1 82 . 16 1 1 A 13 13 ILE C C 13 175.712 175.461 0.251 1
1 83 . 16 1 1 A 13 13 ILE CA C 13 60.976 61.865 -0.889 1
1 84 . 16 1 1 A 13 13 ILE CB C 13 39.277 39.048 0.229 1
1 88 . 16 1 1 A 13 13 ILE N N 13 122.190 121.287 0.903 1
1 89 . 16 1 1 A 14 14 ILE H H 14 8.287 8.840 -0.553 1
1 90 . 16 1 1 A 14 14 ILE HA H 14 4.163 4.498 -0.335 1
1 100 . 16 1 1 A 14 14 ILE C C 14 176.116 176.321 -0.205 1
1 101 . 16 1 1 A 14 14 ILE CA C 14 61.142 60.381 0.761 1
1 102 . 16 1 1 A 14 14 ILE CB C 14 38.438 38.168 0.270 1
1 106 . 16 1 1 A 14 14 ILE N N 14 125.550 129.801 -4.251 1
1 107 . 16 1 1 A 15 15 LEU H H 15 8.398 8.841 -0.443 1
1 108 . 16 1 1 A 15 15 LEU HA H 15 4.397 4.206 0.191 1
1 118 . 16 1 1 A 15 15 LEU C C 15 177.749 178.037 -0.288 1
1 119 . 16 1 1 A 15 15 LEU CA C 15 55.123 55.444 -0.321 1
1 120 . 16 1 1 A 15 15 LEU CB C 15 42.560 41.836 0.724 1
1 124 . 16 1 1 A 15 15 LEU N N 15 127.408 128.776 -1.368 1
1 125 . 16 1 1 A 16 16 GLY H H 16 8.347 8.606 -0.259 1
1 126 . 16 1 1 A 16 16 GLY HA2 H 16 3.964 4.086 -0.122 1
1 127 . 16 1 1 A 16 16 GLY HA3 H 16 3.964 4.087 -0.123 1
1 128 . 16 1 1 A 16 16 GLY C C 16 172.979 173.528 -0.549 1
1 129 . 16 1 1 A 16 16 GLY CA C 16 45.286 44.243 1.043 1
1 130 . 16 1 1 A 16 16 GLY N N 16 109.546 110.585 -1.039 1
1 131 . 16 1 1 A 17 17 ASN H H 17 7.974 8.485 -0.511 1
1 132 . 16 1 1 A 17 17 ASN HA H 17 4.577 5.092 -0.515 1
1 137 . 16 1 1 A 17 17 ASN C C 17 175.869 175.236 0.633 1
1 138 . 16 1 1 A 17 17 ASN CA C 17 54.665 52.464 2.201 1
1 139 . 16 1 1 A 17 17 ASN CB C 17 40.830 37.489 3.341 1
1 140 . 16 1 1 A 17 17 ASN N N 17 124.057 116.352 7.705 1
1 142 . 16 1 1 A 18 18 GLY H H 18 8.150 8.265 -0.115 1
1 143 . 16 1 1 A 18 18 GLY HA2 H 18 4.073 3.961 0.112 1
1 144 . 16 1 1 A 18 18 GLY HA3 H 18 4.073 3.962 0.111 1
1 145 . 16 1 1 A 18 18 GLY C C 18 172.372 173.369 -0.997 1
1 146 . 16 1 1 A 18 18 GLY CA C 18 44.898 45.424 -0.526 1
1 147 . 16 1 1 A 18 18 GLY N N 18 113.988 111.015 2.973 1
1 148 . 16 1 1 A 19 19 PRO HA H 19 4.441 4.631 -0.190 1
1 155 . 16 1 1 A 19 19 PRO C C 19 177.039 177.591 -0.552 1
1 156 . 16 1 1 A 19 19 PRO CA C 19 63.268 62.466 0.802 1
1 157 . 16 1 1 A 19 19 PRO CB C 19 32.159 30.721 1.438 1
1 160 . 16 1 1 A 20 20 ARG H H 20 8.414 8.780 -0.366 1
1 161 . 16 1 1 A 20 20 ARG HA H 20 4.339 4.071 0.268 1
1 167 . 16 1 1 A 20 20 ARG C C 20 176.312 177.229 -0.917 1
1 168 . 16 1 1 A 20 20 ARG CA C 20 56.111 59.273 -3.162 1
1 169 . 16 1 1 A 20 20 ARG CB C 20 30.612 30.482 0.130 1
1 172 . 16 1 1 A 20 20 ARG N N 20 120.839 122.339 -1.500 1
1 173 . 16 1 1 A 21 21 LEU H H 21 8.306 7.738 0.568 1
1 174 . 16 1 1 A 21 21 LEU HA H 21 4.405 4.201 0.204 1
1 183 . 16 1 1 A 21 21 LEU C C 21 177.403 176.806 0.597 1
1 184 . 16 1 1 A 21 21 LEU CA C 21 55.141 55.550 -0.409 1
1 185 . 16 1 1 A 21 21 LEU CB C 21 42.190 42.099 0.091 1
1 189 . 16 1 1 A 21 21 LEU N N 21 123.561 120.231 3.330 1
1 190 . 16 1 1 A 22 22 GLN H H 22 8.406 8.456 -0.050 1
1 191 . 16 1 1 A 22 22 GLN HA H 22 4.336 4.475 -0.139 1
1 198 . 16 1 1 A 22 22 GLN C C 22 175.699 175.898 -0.199 1
1 199 . 16 1 1 A 22 22 GLN CA C 22 56.181 55.822 0.359 1
1 200 . 16 1 1 A 22 22 GLN CB C 22 29.492 29.883 -0.391 1
1 202 . 16 1 1 A 22 22 GLN N N 22 120.835 122.654 -1.819 1
1 204 . 16 1 1 A 24 24 SER HA H 24 4.451 4.107 0.344 1
1 207 . 16 1 1 A 24 24 SER C C 24 173.514 173.956 -0.442 1
1 208 . 16 1 1 A 24 24 SER CA C 24 58.579 59.023 -0.444 1
1 209 . 16 1 1 A 24 24 SER CB C 24 63.967 61.277 2.690 1
1 210 . 16 1 1 A 25 25 THR H H 25 7.806 7.722 0.084 1
1 211 . 16 1 1 A 25 25 THR HA H 25 4.348 4.813 -0.465 1
1 216 . 16 1 1 A 25 25 THR C C 25 173.359 173.335 0.024 1
1 217 . 16 1 1 A 25 25 THR CA C 25 61.593 62.242 -0.649 1
1 218 . 16 1 1 A 25 25 THR CB C 25 70.716 70.219 0.497 1
1 220 . 16 1 1 A 25 25 THR N N 25 114.185 111.902 2.283 1
1 221 . 16 1 1 A 26 26 TYR H H 26 8.598 9.450 -0.852 1
1 222 . 16 1 1 A 26 26 TYR HA H 26 4.670 5.062 -0.392 1
1 229 . 16 1 1 A 26 26 TYR C C 26 174.444 174.843 -0.399 1
1 230 . 16 1 1 A 26 26 TYR CA C 26 56.798 56.505 0.293 1
1 231 . 16 1 1 A 26 26 TYR CB C 26 39.717 40.783 -1.066 1
1 236 . 16 1 1 A 26 26 TYR N N 26 121.326 119.651 1.675 1
1 237 . 16 1 1 A 27 27 GLN H H 27 8.528 8.578 -0.050 1
1 238 . 16 1 1 A 27 27 GLN HA H 27 4.670 4.558 0.112 1
1 245 . 16 1 1 A 27 27 GLN C C 27 175.055 175.041 0.014 1
1 246 . 16 1 1 A 27 27 GLN CA C 27 54.718 54.751 -0.033 1
1 247 . 16 1 1 A 27 27 GLN CB C 27 30.938 28.493 2.445 1
1 249 . 16 1 1 A 27 27 GLN N N 27 123.045 124.028 -0.983 1
1 251 . 16 1 1 A 28 28 CYS H H 28 8.682 8.464 0.218 1
1 252 . 16 1 1 A 28 28 CYS HA H 28 4.331 4.574 -0.243 1
1 255 . 16 1 1 A 28 28 CYS C C 28 176.610 176.656 -0.046 1
1 256 . 16 1 1 A 28 28 CYS CA C 28 60.394 60.021 0.373 1
1 257 . 16 1 1 A 28 28 CYS CB C 28 29.850 28.544 1.306 1
1 258 . 16 1 1 A 28 28 CYS N N 28 129.276 126.543 2.733 1
1 259 . 16 1 1 A 29 29 LYS H H 29 8.454 8.590 -0.136 1
1 260 . 16 1 1 A 29 29 LYS HA H 29 4.257 4.253 0.004 1
1 269 . 16 1 1 A 29 29 LYS C C 29 176.581 176.032 0.549 1
1 270 . 16 1 1 A 29 29 LYS CA C 29 57.584 57.888 -0.304 1
1 271 . 16 1 1 A 29 29 LYS CB C 29 32.145 31.600 0.545 1
1 275 . 16 1 1 A 29 29 LYS N N 29 127.445 124.070 3.375 1
1 276 . 16 1 1 A 30 30 HIS H H 30 9.625 8.137 1.488 1
1 277 . 16 1 1 A 30 30 HIS HA H 30 4.608 4.453 0.155 1
1 281 . 16 1 1 A 30 30 HIS C C 30 175.524 176.649 -1.125 1
1 282 . 16 1 1 A 30 30 HIS CA C 30 56.956 57.493 -0.537 1
1 283 . 16 1 1 A 30 30 HIS CB C 30 30.732 30.991 -0.259 1
1 285 . 16 1 1 A 30 30 HIS N N 30 121.657 117.004 4.653 1
1 286 . 16 1 1 A 31 31 CYS H H 31 8.086 8.153 -0.067 1
1 287 . 16 1 1 A 31 31 CYS HA H 31 5.078 4.563 0.515 1
1 290 . 16 1 1 A 31 31 CYS C C 31 173.769 174.189 -0.420 1
1 291 . 16 1 1 A 31 31 CYS CA C 31 58.349 58.240 0.109 1
1 292 . 16 1 1 A 31 31 CYS CB C 31 31.268 28.653 2.615 1
1 293 . 16 1 1 A 31 31 CYS N N 31 118.457 113.367 5.090 1
1 294 . 16 1 1 A 32 32 ASP H H 32 8.135 8.122 0.013 1
1 295 . 16 1 1 A 32 32 ASP HA H 32 4.637 4.530 0.107 1
1 298 . 16 1 1 A 32 32 ASP C C 32 176.540 174.740 1.800 1
1 299 . 16 1 1 A 32 32 ASP CA C 32 55.687 55.554 0.133 1
1 300 . 16 1 1 A 32 32 ASP CB C 32 40.418 39.021 1.397 1
1 301 . 16 1 1 A 32 32 ASP N N 32 116.820 118.026 -1.206 1
1 302 . 16 1 1 A 33 33 SER H H 33 8.667 7.925 0.742 1
1 303 . 16 1 1 A 33 33 SER HA H 33 4.267 4.767 -0.500 1
1 306 . 16 1 1 A 33 33 SER C C 33 172.462 172.701 -0.239 1
1 307 . 16 1 1 A 33 33 SER CA C 33 61.452 55.951 5.501 1
1 308 . 16 1 1 A 33 33 SER CB C 33 63.893 65.393 -1.500 1
1 309 . 16 1 1 A 33 33 SER N N 33 119.488 112.480 7.008 1
1 310 . 16 1 1 A 34 34 LYS H H 34 8.389 8.329 0.060 1
1 311 . 16 1 1 A 34 34 LYS HA H 34 4.747 5.465 -0.718 1
1 320 . 16 1 1 A 34 34 LYS C C 34 175.517 175.119 0.398 1
1 321 . 16 1 1 A 34 34 LYS CA C 34 55.476 54.624 0.852 1
1 322 . 16 1 1 A 34 34 LYS CB C 34 33.526 35.931 -2.405 1
1 326 . 16 1 1 A 34 34 LYS N N 34 122.954 121.228 1.726 1
1 327 . 16 1 1 A 35 35 LEU H H 35 8.825 8.613 0.212 1
1 328 . 16 1 1 A 35 35 LEU HA H 35 4.847 4.859 -0.012 1
1 338 . 16 1 1 A 35 35 LEU C C 35 177.476 177.895 -0.419 1
1 339 . 16 1 1 A 35 35 LEU CA C 35 52.673 53.168 -0.495 1
1 340 . 16 1 1 A 35 35 LEU CB C 35 42.115 44.953 -2.838 1
1 344 . 16 1 1 A 35 35 LEU N N 35 126.489 125.350 1.139 1
1 345 . 16 1 1 A 36 36 GLN H H 36 8.883 8.364 0.519 1
1 346 . 16 1 1 A 36 36 GLN HA H 36 4.565 4.182 0.383 1
1 353 . 16 1 1 A 36 36 GLN C C 36 175.227 175.645 -0.418 1
1 354 . 16 1 1 A 36 36 GLN CA C 36 56.763 57.934 -1.171 1
1 355 . 16 1 1 A 36 36 GLN CB C 36 30.225 28.516 1.709 1
1 357 . 16 1 1 A 36 36 GLN N N 36 116.410 120.150 -3.740 1
1 359 . 16 1 1 A 37 37 SER H H 37 7.345 7.463 -0.118 1
1 360 . 16 1 1 A 37 37 SER HA H 37 4.569 3.976 0.593 1
1 363 . 16 1 1 A 37 37 SER C C 37 179.414 172.919 6.495 1
1 364 . 16 1 1 A 37 37 SER CA C 37 56.780 56.440 0.340 1
1 365 . 16 1 1 A 37 37 SER CB C 37 66.444 64.815 1.629 1
1 366 . 16 1 1 A 37 37 SER N N 37 110.125 113.336 -3.211 1
1 367 . 16 1 1 A 38 38 THR H H 38 8.099 8.032 0.067 1
1 368 . 16 1 1 A 38 38 THR HA H 38 3.627 3.522 0.105 1
1 373 . 16 1 1 A 38 38 THR CA C 38 65.831 66.140 -0.309 1
1 374 . 16 1 1 A 38 38 THR CB C 38 68.118 68.729 -0.611 1
1 376 . 16 1 1 A 38 38 THR N N 38 121.696 118.393 3.303 1
1 377 . 16 1 1 A 39 39 ALA HA H 39 4.155 4.005 0.150 1
1 381 . 16 1 1 A 39 39 ALA C C 39 180.623 179.421 1.202 1
1 382 . 16 1 1 A 39 39 ALA CA C 39 55.406 55.348 0.058 1
1 383 . 16 1 1 A 39 39 ALA CB C 39 18.098 18.619 -0.521 1
1 384 . 16 1 1 A 40 40 GLU H H 40 7.881 7.965 -0.084 1
1 385 . 16 1 1 A 40 40 GLU HA H 40 4.114 4.128 -0.014 1
1 390 . 16 1 1 A 40 40 GLU C C 40 179.352 178.834 0.518 1
1 391 . 16 1 1 A 40 40 GLU CA C 40 58.914 58.951 -0.037 1
1 392 . 16 1 1 A 40 40 GLU CB C 40 30.822 29.529 1.293 1
1 394 . 16 1 1 A 40 40 GLU N N 40 118.475 118.029 0.446 1
1 395 . 16 1 1 A 41 41 LEU H H 41 8.096 7.978 0.118 1
1 396 . 16 1 1 A 41 41 LEU HA H 41 4.115 4.028 0.087 1
1 406 . 16 1 1 A 41 41 LEU C C 41 177.620 178.929 -1.309 1
1 407 . 16 1 1 A 41 41 LEU CA C 41 58.841 58.144 0.697 1
1 408 . 16 1 1 A 41 41 LEU CB C 41 41.442 41.451 -0.009 1
1 412 . 16 1 1 A 41 41 LEU N N 41 121.715 122.417 -0.702 1
1 413 . 16 1 1 A 42 42 THR H H 42 8.599 8.351 0.248 1
1 414 . 16 1 1 A 42 42 THR HA H 42 3.860 3.871 -0.011 1
1 419 . 16 1 1 A 42 42 THR C C 42 176.761 176.426 0.335 1
1 420 . 16 1 1 A 42 42 THR CA C 42 67.345 66.407 0.938 1
1 421 . 16 1 1 A 42 42 THR CB C 42 68.758 68.629 0.129 1
1 423 . 16 1 1 A 42 42 THR N N 42 115.801 114.889 0.912 1
1 424 . 16 1 1 A 43 43 SER H H 43 7.833 7.944 -0.111 1
1 425 . 16 1 1 A 43 43 SER HA H 43 4.251 4.370 -0.119 1
1 428 . 16 1 1 A 43 43 SER C C 43 176.836 176.713 0.123 1
1 429 . 16 1 1 A 43 43 SER CA C 43 61.646 61.204 0.442 1
1 430 . 16 1 1 A 43 43 SER CB C 43 62.750 63.114 -0.364 1
1 431 . 16 1 1 A 43 43 SER N N 43 115.657 116.266 -0.609 1
1 432 . 16 1 1 A 44 44 HIS H H 44 8.415 8.361 0.054 1
1 433 . 16 1 1 A 44 44 HIS HA H 44 4.182 4.136 0.046 1
1 438 . 16 1 1 A 44 44 HIS C C 44 177.125 176.798 0.327 1
1 439 . 16 1 1 A 44 44 HIS CA C 44 60.094 59.962 0.132 1
1 440 . 16 1 1 A 44 44 HIS CB C 44 28.846 30.008 -1.162 1
1 443 . 16 1 1 A 44 44 HIS N N 44 122.271 121.800 0.471 1
1 444 . 16 1 1 A 45 45 LEU H H 45 8.854 8.717 0.137 1
1 445 . 16 1 1 A 45 45 LEU HA H 45 4.100 3.585 0.515 1
1 455 . 16 1 1 A 45 45 LEU C C 45 179.448 178.778 0.670 1
1 456 . 16 1 1 A 45 45 LEU CA C 45 58.297 58.231 0.066 1
1 457 . 16 1 1 A 45 45 LEU CB C 45 41.666 40.964 0.702 1
1 461 . 16 1 1 A 45 45 LEU N N 45 118.289 119.868 -1.579 1
1 462 . 16 1 1 A 46 46 ASN H H 46 7.730 8.305 -0.575 1
1 463 . 16 1 1 A 46 46 ASN HA H 46 4.502 4.356 0.146 1
1 468 . 16 1 1 A 46 46 ASN C C 46 177.759 177.989 -0.230 1
1 469 . 16 1 1 A 46 46 ASN CA C 46 56.163 56.386 -0.223 1
1 470 . 16 1 1 A 46 46 ASN CB C 46 38.069 37.845 0.224 1
1 471 . 16 1 1 A 46 46 ASN N N 46 117.155 116.509 0.646 1
1 473 . 16 1 1 A 47 47 ILE H H 47 7.670 7.966 -0.296 1
1 474 . 16 1 1 A 47 47 ILE HA H 47 3.787 3.559 0.228 1
1 484 . 16 1 1 A 47 47 ILE C C 47 178.447 178.109 0.338 1
1 485 . 16 1 1 A 47 47 ILE CA C 47 64.273 65.180 -0.907 1
1 486 . 16 1 1 A 47 47 ILE CB C 47 37.214 37.852 -0.638 1
1 490 . 16 1 1 A 47 47 ILE N N 47 119.392 119.674 -0.282 1
1 491 . 16 1 1 A 48 48 HIS H H 48 6.999 8.040 -1.041 1
1 492 . 16 1 1 A 48 48 HIS HA H 48 4.437 4.469 -0.032 1
1 497 . 16 1 1 A 48 48 HIS C C 48 175.932 177.783 -1.851 1
1 498 . 16 1 1 A 48 48 HIS CA C 48 56.855 59.876 -3.021 1
1 499 . 16 1 1 A 48 48 HIS CB C 48 27.971 30.084 -2.113 1
1 502 . 16 1 1 A 48 48 HIS N N 48 116.931 119.196 -2.265 1
1 503 . 16 1 1 A 49 49 ASN H H 49 8.059 8.040 0.019 1
1 504 . 16 1 1 A 49 49 ASN HA H 49 4.555 4.315 0.240 1
1 509 . 16 1 1 A 49 49 ASN C C 49 177.139 178.127 -0.988 1
1 510 . 16 1 1 A 49 49 ASN CA C 49 55.552 56.417 -0.865 1
1 511 . 16 1 1 A 49 49 ASN CB C 49 38.495 38.267 0.228 1
1 512 . 16 1 1 A 49 49 ASN N N 49 118.208 116.563 1.645 1
1 514 . 16 1 1 A 50 50 GLU H H 50 8.336 8.333 0.003 1
1 515 . 16 1 1 A 50 50 GLU HA H 50 4.090 4.054 0.036 1
1 520 . 16 1 1 A 50 50 GLU C C 50 178.637 179.425 -0.788 1
1 521 . 16 1 1 A 50 50 GLU CA C 50 59.246 59.735 -0.489 1
1 522 . 16 1 1 A 50 50 GLU CB C 50 29.582 29.209 0.373 1
1 524 . 16 1 1 A 50 50 GLU N N 50 121.316 119.636 1.680 1
1 525 . 16 1 1 A 51 51 GLU H H 51 7.932 8.440 -0.508 1
1 526 . 16 1 1 A 51 51 GLU HA H 51 4.093 4.068 0.025 1
1 531 . 16 1 1 A 51 51 GLU C C 51 179.088 179.036 0.052 1
1 532 . 16 1 1 A 51 51 GLU CA C 51 59.037 59.528 -0.491 1
1 533 . 16 1 1 A 51 51 GLU CB C 51 29.183 29.564 -0.381 1
1 535 . 16 1 1 A 51 51 GLU N N 51 120.058 119.937 0.121 1
1 536 . 16 1 1 A 52 52 PHE H H 52 8.345 8.092 0.253 1
1 537 . 16 1 1 A 52 52 PHE HA H 52 4.411 4.269 0.142 1
1 545 . 16 1 1 A 52 52 PHE C C 52 178.654 177.231 1.423 1
1 546 . 16 1 1 A 52 52 PHE CA C 52 59.523 61.699 -2.176 1
1 547 . 16 1 1 A 52 52 PHE CB C 52 38.261 39.184 -0.923 1
1 553 . 16 1 1 A 52 52 PHE N N 52 119.698 121.304 -1.606 1
1 554 . 16 1 1 A 53 53 GLN H H 53 8.197 7.964 0.233 1
1 555 . 16 1 1 A 53 53 GLN HA H 53 4.153 4.085 0.068 1
1 562 . 16 1 1 A 53 53 GLN C C 53 178.059 178.413 -0.354 1
1 563 . 16 1 1 A 53 53 GLN CA C 53 58.120 59.195 -1.075 1
1 564 . 16 1 1 A 53 53 GLN CB C 53 28.591 28.846 -0.255 1
1 566 . 16 1 1 A 53 53 GLN N N 53 118.967 117.855 1.112 1
1 568 . 16 1 1 A 54 54 LYS H H 54 8.008 7.700 0.308 1
1 569 . 16 1 1 A 54 54 LYS HA H 54 4.118 3.960 0.158 1
1 577 . 16 1 1 A 54 54 LYS C C 54 178.686 179.725 -1.039 1
1 578 . 16 1 1 A 54 54 LYS CA C 54 59.002 59.886 -0.884 1
1 579 . 16 1 1 A 54 54 LYS CB C 54 32.608 32.223 0.385 1
1 583 . 16 1 1 A 54 54 LYS N N 54 119.791 117.843 1.948 1
1 584 . 16 1 1 A 55 55 ARG H H 55 7.978 7.980 -0.002 1
1 585 . 16 1 1 A 55 55 ARG HA H 55 4.136 3.947 0.189 1
1 592 . 16 1 1 A 55 55 ARG C C 55 177.610 178.383 -0.773 1
1 593 . 16 1 1 A 55 55 ARG CA C 55 58.183 59.472 -1.289 1
1 594 . 16 1 1 A 55 55 ARG CB C 55 30.410 29.693 0.717 1
1 597 . 16 1 1 A 55 55 ARG N N 55 119.619 119.528 0.091 1
1 598 . 16 1 1 A 56 56 ALA H H 56 8.008 7.817 0.191 1
1 599 . 16 1 1 A 56 56 ALA HA H 56 4.196 3.899 0.297 1
1 603 . 16 1 1 A 56 56 ALA C C 56 179.269 178.692 0.577 1
1 604 . 16 1 1 A 56 56 ALA CA C 56 53.930 54.861 -0.931 1
1 605 . 16 1 1 A 56 56 ALA CB C 56 18.539 18.726 -0.187 1
1 606 . 16 1 1 A 56 56 ALA N N 56 122.850 121.526 1.324 1
1 607 . 16 1 1 A 57 57 LYS H H 57 8.014 8.265 -0.251 1
1 608 . 16 1 1 A 57 57 LYS HA H 57 4.225 4.466 -0.241 1
1 617 . 16 1 1 A 57 57 LYS C C 57 177.892 177.280 0.612 1
1 618 . 16 1 1 A 57 57 LYS CA C 57 57.504 54.605 2.899 1
1 619 . 16 1 1 A 57 57 LYS CB C 57 32.646 30.253 2.393 1
1 623 . 16 1 1 A 57 57 LYS N N 57 118.986 117.192 1.794 1
1 624 . 16 1 1 A 58 58 ARG H H 58 8.039 7.947 0.092 1
1 625 . 16 1 1 A 58 58 ARG HA H 58 4.229 4.037 0.192 1
1 632 . 16 1 1 A 58 58 ARG C C 58 177.156 176.578 0.578 1
1 633 . 16 1 1 A 58 58 ARG CA C 58 57.425 58.912 -1.487 1
1 634 . 16 1 1 A 58 58 ARG CB C 58 30.561 30.143 0.418 1
1 637 . 16 1 1 A 58 58 ARG N N 58 120.747 121.628 -0.881 1
1 638 . 16 1 1 A 59 59 GLN H H 59 8.195 7.892 0.303 1
1 639 . 16 1 1 A 59 59 GLN HA H 59 4.228 3.851 0.377 1
1 644 . 16 1 1 A 59 59 GLN CA C 59 57.412 57.036 0.376 1
1 645 . 16 1 1 A 59 59 GLN CB C 59 32.773 26.311 6.462 1
1 647 . 16 1 1 A 59 59 GLN N N 59 121.145 114.994 6.151 1
1 648 . 16 1 1 A 60 60 GLU HA H 60 4.256 4.645 -0.389 1
1 653 . 16 1 1 A 60 60 GLU CA C 60 56.093 55.219 0.874 1
1 654 . 16 1 1 A 60 60 GLU CB C 60 29.429 31.174 -1.745 1
1 656 . 16 1 1 A 63 63 LYS HA H 63 4.263 3.935 0.328 1
1 663 . 16 1 1 A 63 63 LYS CA C 63 56.908 57.169 -0.261 1
1 664 . 16 1 1 A 63 63 LYS CB C 63 32.778 31.094 1.684 1
1 665 . 16 1 1 A 64 64 GLN H H 64 8.261 7.487 0.774 1
1 666 . 16 1 1 A 64 64 GLN HA H 64 4.253 5.016 -0.763 1
1 673 . 16 1 1 A 64 64 GLN C C 64 176.687 174.768 1.919 1
1 674 . 16 1 1 A 64 64 GLN CA C 64 56.780 54.295 2.485 1
1 675 . 16 1 1 A 64 64 GLN CB C 64 29.198 32.509 -3.311 1
1 677 . 16 1 1 A 64 64 GLN N N 64 120.299 117.712 2.587 1
1 679 . 16 1 1 A 65 65 LEU H H 65 8.190 8.704 -0.514 1
1 680 . 16 1 1 A 65 65 LEU HA H 65 4.306 5.216 -0.910 1
1 690 . 16 1 1 A 65 65 LEU C C 65 177.894 175.167 2.727 1
1 691 . 16 1 1 A 65 65 LEU CA C 65 55.952 53.339 2.613 1
1 692 . 16 1 1 A 65 65 LEU CB C 65 42.313 45.861 -3.548 1
1 696 . 16 1 1 A 65 65 LEU N N 65 122.723 118.599 4.124 1
1 697 . 16 1 1 A 66 66 LEU H H 66 8.165 8.846 -0.681 1
1 698 . 16 1 1 A 66 66 LEU HA H 66 4.305 5.032 -0.727 1
1 708 . 16 1 1 A 66 66 LEU C C 66 177.867 176.524 1.343 1
1 709 . 16 1 1 A 66 66 LEU CA C 66 55.775 53.410 2.365 1
1 710 . 16 1 1 A 66 66 LEU CB C 66 42.336 46.310 -3.974 1
1 714 . 16 1 1 A 66 66 LEU N N 66 121.812 124.571 -2.759 1
1 715 . 16 1 1 A 67 67 SER H H 67 8.104 8.721 -0.617 1
1 716 . 16 1 1 A 67 67 SER CA C 67 58.896 58.435 0.461 1
1 717 . 16 1 1 A 67 67 SER CB C 67 63.674 64.173 -0.499 1
1 718 . 16 1 1 A 67 67 SER N N 67 115.632 117.693 -2.061 1
1 719 . 16 1 1 A 69 69 GLN HA H 69 4.221 4.797 -0.576 1
1 724 . 16 1 1 A 69 69 GLN CA C 69 57.547 54.849 2.698 1
1 725 . 16 1 1 A 69 69 GLN CB C 69 30.314 32.720 -2.406 1
1 727 . 16 1 1 A 70 70 LYS H H 70 8.255 8.705 -0.450 1
1 728 . 16 1 1 A 70 70 LYS HA H 70 4.220 4.490 -0.270 1
1 737 . 16 1 1 A 70 70 LYS C C 70 176.303 174.935 1.368 1
1 738 . 16 1 1 A 70 70 LYS CA C 70 56.639 56.126 0.513 1
1 739 . 16 1 1 A 70 70 LYS CB C 70 33.080 32.289 0.791 1
1 743 . 16 1 1 A 70 70 LYS N N 70 121.417 121.603 -0.186 1
1 744 . 16 1 1 A 71 71 TYR H H 71 8.142 7.685 0.457 1
1 745 . 16 1 1 A 71 71 TYR HA H 71 4.571 4.784 -0.213 1
1 752 . 16 1 1 A 71 71 TYR C C 71 175.736 173.707 2.029 1
1 753 . 16 1 1 A 71 71 TYR CA C 71 57.768 58.030 -0.262 1
1 754 . 16 1 1 A 71 71 TYR CB C 71 38.894 41.130 -2.236 1
1 759 . 16 1 1 A 71 71 TYR N N 71 120.561 120.871 -0.310 1
1 760 . 16 1 1 A 72 72 ALA H H 72 8.237 8.060 0.177 1
1 761 . 16 1 1 A 72 72 ALA HA H 72 4.292 4.903 -0.611 1
1 765 . 16 1 1 A 72 72 ALA C C 72 177.276 176.602 0.674 1
1 766 . 16 1 1 A 72 72 ALA CA C 72 52.642 51.241 1.401 1
1 767 . 16 1 1 A 72 72 ALA CB C 72 19.405 21.942 -2.537 1
1 768 . 16 1 1 A 72 72 ALA N N 72 125.192 125.270 -0.078 1
1 769 . 16 1 1 A 73 73 ASP H H 73 8.220 9.018 -0.798 1
1 770 . 16 1 1 A 73 73 ASP HA H 73 4.549 4.841 -0.292 1
1 773 . 16 1 1 A 73 73 ASP C C 73 176.922 176.287 0.635 1
1 774 . 16 1 1 A 73 73 ASP CA C 73 54.682 55.444 -0.762 1
1 775 . 16 1 1 A 73 73 ASP CB C 73 41.239 43.074 -1.835 1
1 776 . 16 1 1 A 73 73 ASP N N 73 119.269 123.320 -4.051 1
1 777 . 16 1 1 A 74 74 GLY H H 74 8.269 7.904 0.365 1
1 778 . 16 1 1 A 74 74 GLY HA2 H 74 3.963 4.053 -0.090 1
1 779 . 16 1 1 A 74 74 GLY HA3 H 74 3.879 4.058 -0.179 1
1 780 . 16 1 1 A 74 74 GLY C C 74 174.132 172.668 1.464 1
1 781 . 16 1 1 A 74 74 GLY CA C 74 45.551 44.603 0.948 1
1 782 . 16 1 1 A 74 74 GLY N N 74 109.209 106.235 2.974 1
1 783 . 16 1 1 A 75 75 ALA H H 75 8.048 8.554 -0.506 1
1 784 . 16 1 1 A 75 75 ALA HA H 75 4.221 4.927 -0.706 1
1 788 . 16 1 1 A 75 75 ALA C C 75 177.507 175.510 1.997 1
1 789 . 16 1 1 A 75 75 ALA CA C 75 52.638 51.725 0.913 1
1 790 . 16 1 1 A 75 75 ALA CB C 75 19.281 22.735 -3.454 1
1 791 . 16 1 1 A 75 75 ALA N N 75 123.382 123.306 0.076 1
1 792 . 16 1 1 A 76 76 PHE H H 76 8.126 9.057 -0.931 1
1 793 . 16 1 1 A 76 76 PHE HA H 76 4.541 4.755 -0.214 1
1 798 . 16 1 1 A 76 76 PHE C C 76 175.620 174.672 0.948 1
1 799 . 16 1 1 A 76 76 PHE CA C 76 57.733 58.563 -0.830 1
1 800 . 16 1 1 A 76 76 PHE CB C 76 39.429 39.866 -0.437 1
1 801 . 16 1 1 A 76 76 PHE N N 76 118.540 124.447 -5.907 1
1 802 . 16 1 1 A 77 77 ALA H H 77 8.017 7.386 0.631 1
1 803 . 16 1 1 A 77 77 ALA HA H 77 4.207 4.832 -0.625 1
1 807 . 16 1 1 A 77 77 ALA C C 77 176.990 175.485 1.505 1
1 808 . 16 1 1 A 77 77 ALA CA C 77 52.602 50.725 1.877 1
1 809 . 16 1 1 A 77 77 ALA CB C 77 19.528 22.368 -2.840 1
1 810 . 16 1 1 A 77 77 ALA N N 77 124.826 125.136 -0.310 1
1 811 . 16 1 1 A 78 78 ASP H H 78 8.061 8.702 -0.641 1
1 812 . 16 1 1 A 78 78 ASP HA H 78 4.538 4.633 -0.095 1
1 815 . 16 1 1 A 78 78 ASP C C 78 175.908 175.527 0.381 1
1 816 . 16 1 1 A 78 78 ASP CA C 78 54.189 52.440 1.749 1
1 817 . 16 1 1 A 78 78 ASP CB C 78 41.242 42.331 -1.089 1
1 818 . 16 1 1 A 78 78 ASP N N 78 119.019 122.661 -3.642 1
1 819 . 16 1 1 A 79 79 PHE H H 79 8.023 7.995 0.028 1
1 820 . 16 1 1 A 79 79 PHE HA H 79 4.586 5.523 -0.937 1
1 825 . 16 1 1 A 79 79 PHE C C 79 175.551 173.540 2.011 1
1 826 . 16 1 1 A 79 79 PHE CA C 79 57.891 56.005 1.886 1
1 827 . 16 1 1 A 79 79 PHE CB C 79 39.484 43.091 -3.607 1
1 828 . 16 1 1 A 79 79 PHE N N 79 120.449 115.915 4.534 1
1 829 . 16 1 1 A 80 80 LYS H H 80 8.161 8.831 -0.670 1
1 830 . 16 1 1 A 80 80 LYS HA H 80 4.251 5.166 -0.915 1
1 836 . 16 1 1 A 80 80 LYS C C 80 176.027 175.053 0.974 1
1 837 . 16 1 1 A 80 80 LYS CA C 80 56.233 55.423 0.810 1
1 838 . 16 1 1 A 80 80 LYS CB C 80 33.084 36.939 -3.855 1
1 842 . 16 1 1 A 80 80 LYS N N 80 123.309 119.596 3.713 1
1 843 . 16 1 1 A 81 81 GLN H H 81 8.329 8.788 -0.459 1
1 844 . 16 1 1 A 81 81 GLN HA H 81 4.284 5.077 -0.793 1
1 851 . 16 1 1 A 81 81 GLN C C 81 176.009 174.996 1.013 1
1 852 . 16 1 1 A 81 81 GLN CA C 81 55.952 54.770 1.182 1
1 853 . 16 1 1 A 81 81 GLN CB C 81 29.623 31.919 -2.296 1
1 855 . 16 1 1 A 81 81 GLN N N 81 121.944 121.848 0.096 1
1 857 . 16 1 1 A 82 82 GLU H H 82 8.542 8.763 -0.221 1
1 858 . 16 1 1 A 82 82 GLU HA H 82 4.350 4.507 -0.157 1
1 862 . 16 1 1 A 82 82 GLU C C 82 176.509 175.671 0.838 1
1 863 . 16 1 1 A 82 82 GLU CA C 82 56.675 57.702 -1.027 1
1 864 . 16 1 1 A 82 82 GLU CB C 82 30.447 32.677 -2.230 1
1 866 . 16 1 1 A 82 82 GLU N N 82 122.687 126.437 -3.750 1
1 867 . 16 1 1 A 83 83 SER H H 83 8.418 7.859 0.559 1
1 868 . 16 1 1 A 83 83 SER HA H 83 4.516 4.741 -0.225 1
1 871 . 16 1 1 A 83 83 SER C C 83 174.538 173.943 0.595 1
1 872 . 16 1 1 A 83 83 SER CA C 83 58.403 57.504 0.899 1
1 873 . 16 1 1 A 83 83 SER CB C 83 64.018 64.447 -0.429 1
1 874 . 16 1 1 A 83 83 SER N N 83 116.897 115.424 1.473 1
1 875 . 16 1 1 A 84 84 GLY H H 84 8.276 8.641 -0.365 1
1 876 . 16 1 1 A 84 84 GLY C C 84 171.814 171.866 -0.052 1
1 877 . 16 1 1 A 84 84 GLY CA C 84 44.722 44.591 0.131 1
1 878 . 16 1 1 A 84 84 GLY N N 84 110.673 112.940 -2.267 1
1 879 . 16 1 1 A 85 85 PRO HA H 85 4.497 4.580 -0.083 1
1 885 . 16 1 1 A 85 85 PRO C C 85 177.204 175.196 2.008 1
1 886 . 16 1 1 A 85 85 PRO CA C 85 63.290 62.522 0.768 1
1 887 . 16 1 1 A 85 85 PRO CB C 85 32.228 33.221 -0.993 1
1 890 . 16 1 1 A 86 86 SER H H 86 8.331 8.345 -0.014 1
1 891 . 16 1 1 A 86 86 SER HA H 86 4.339 4.982 -0.643 1
1 892 . 16 1 1 A 86 86 SER C C 86 174.935 172.477 2.458 1
1 893 . 16 1 1 A 86 86 SER CA C 86 61.769 57.541 4.228 1
1 894 . 16 1 1 A 86 86 SER CB C 86 69.836 67.958 1.878 1
1 895 . 16 1 1 A 86 86 SER N N 86 114.681 114.876 -0.195 1
1 896 . 16 1 1 A 87 87 SER H H 87 8.121 8.284 -0.163 1
1 897 . 16 1 1 A 87 87 SER CA C 87 61.963 56.926 5.037 1
1 898 . 16 1 1 A 87 87 SER CB C 87 69.818 66.570 3.248 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.975 4.215 -0.240 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.975 4.216 -0.241 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.115 172.285 1.830 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.392 44.758 0.634 1
1 5 . 17 1 1 A 8 8 LEU H H 8 8.037 8.457 -0.420 1
1 6 . 17 1 1 A 8 8 LEU HA H 8 4.347 4.895 -0.548 1
1 16 . 17 1 1 A 8 8 LEU C C 8 177.426 174.257 3.169 1
1 17 . 17 1 1 A 8 8 LEU CA C 8 55.352 54.682 0.670 1
1 18 . 17 1 1 A 8 8 LEU CB C 8 42.478 45.966 -3.488 1
1 22 . 17 1 1 A 8 8 LEU N N 8 121.686 121.189 0.497 1
1 23 . 17 1 1 A 9 9 LYS H H 9 8.309 8.810 -0.501 1
1 24 . 17 1 1 A 9 9 LYS HA H 9 4.319 4.941 -0.622 1
1 29 . 17 1 1 A 9 9 LYS CA C 9 56.195 54.433 1.762 1
1 30 . 17 1 1 A 9 9 LYS CB C 9 32.820 37.106 -4.286 1
1 34 . 17 1 1 A 9 9 LYS N N 9 122.335 124.725 -2.390 1
1 35 . 17 1 1 A 10 10 ARG HA H 10 4.306 5.146 -0.840 1
1 42 . 17 1 1 A 10 10 ARG C C 10 175.845 174.495 1.350 1
1 43 . 17 1 1 A 10 10 ARG CA C 10 56.146 53.826 2.320 1
1 44 . 17 1 1 A 10 10 ARG CB C 10 31.005 33.857 -2.852 1
1 47 . 17 1 1 A 11 11 ASP H H 11 8.293 9.066 -0.773 1
1 48 . 17 1 1 A 11 11 ASP HA H 11 4.582 5.544 -0.962 1
1 51 . 17 1 1 A 11 11 ASP C C 11 175.382 174.897 0.485 1
1 52 . 17 1 1 A 11 11 ASP CA C 11 54.612 52.391 2.221 1
1 53 . 17 1 1 A 11 11 ASP CB C 11 41.572 44.966 -3.394 1
1 54 . 17 1 1 A 11 11 ASP N N 11 120.563 118.870 1.693 1
1 55 . 17 1 1 A 12 12 PHE H H 12 7.961 8.774 -0.813 1
1 56 . 17 1 1 A 12 12 PHE HA H 12 4.758 5.795 -1.037 1
1 63 . 17 1 1 A 12 12 PHE C C 12 175.068 173.580 1.488 1
1 64 . 17 1 1 A 12 12 PHE CA C 12 58.990 54.992 3.998 1
1 65 . 17 1 1 A 12 12 PHE CB C 12 40.037 42.660 -2.623 1
1 70 . 17 1 1 A 12 12 PHE N N 12 118.808 115.956 2.852 1
1 71 . 17 1 1 A 13 13 ILE H H 13 8.167 8.891 -0.724 1
1 72 . 17 1 1 A 13 13 ILE HA H 13 4.167 5.019 -0.852 1
1 82 . 17 1 1 A 13 13 ILE C C 13 175.712 174.923 0.789 1
1 83 . 17 1 1 A 13 13 ILE CA C 13 60.976 58.964 2.012 1
1 84 . 17 1 1 A 13 13 ILE CB C 13 39.277 42.173 -2.896 1
1 88 . 17 1 1 A 13 13 ILE N N 13 122.190 116.270 5.920 1
1 89 . 17 1 1 A 14 14 ILE H H 14 8.287 8.612 -0.325 1
1 90 . 17 1 1 A 14 14 ILE HA H 14 4.163 4.911 -0.748 1
1 100 . 17 1 1 A 14 14 ILE C C 14 176.116 174.911 1.205 1
1 101 . 17 1 1 A 14 14 ILE CA C 14 61.142 60.716 0.426 1
1 102 . 17 1 1 A 14 14 ILE CB C 14 38.438 40.596 -2.158 1
1 106 . 17 1 1 A 14 14 ILE N N 14 125.550 122.230 3.320 1
1 107 . 17 1 1 A 15 15 LEU H H 15 8.398 9.008 -0.610 1
1 108 . 17 1 1 A 15 15 LEU HA H 15 4.397 4.843 -0.446 1
1 118 . 17 1 1 A 15 15 LEU C C 15 177.749 177.035 0.714 1
1 119 . 17 1 1 A 15 15 LEU CA C 15 55.123 53.380 1.743 1
1 120 . 17 1 1 A 15 15 LEU CB C 15 42.560 45.194 -2.634 1
1 124 . 17 1 1 A 15 15 LEU N N 15 127.408 127.821 -0.413 1
1 125 . 17 1 1 A 16 16 GLY H H 16 8.347 8.672 -0.325 1
1 126 . 17 1 1 A 16 16 GLY HA2 H 16 3.964 4.037 -0.073 1
1 127 . 17 1 1 A 16 16 GLY HA3 H 16 3.964 4.043 -0.079 1
1 128 . 17 1 1 A 16 16 GLY C C 16 172.979 172.980 -0.001 1
1 129 . 17 1 1 A 16 16 GLY CA C 16 45.286 45.214 0.072 1
1 130 . 17 1 1 A 16 16 GLY N N 16 109.546 112.007 -2.461 1
1 131 . 17 1 1 A 17 17 ASN H H 17 7.974 8.706 -0.732 1
1 132 . 17 1 1 A 17 17 ASN HA H 17 4.577 5.517 -0.940 1
1 137 . 17 1 1 A 17 17 ASN C C 17 175.869 174.036 1.833 1
1 138 . 17 1 1 A 17 17 ASN CA C 17 54.665 52.295 2.370 1
1 139 . 17 1 1 A 17 17 ASN CB C 17 40.830 42.385 -1.555 1
1 140 . 17 1 1 A 17 17 ASN N N 17 124.057 118.779 5.278 1
1 142 . 17 1 1 A 18 18 GLY H H 18 8.150 8.358 -0.208 1
1 143 . 17 1 1 A 18 18 GLY HA2 H 18 4.073 4.154 -0.081 1
1 144 . 17 1 1 A 18 18 GLY HA3 H 18 4.073 4.159 -0.086 1
1 145 . 17 1 1 A 18 18 GLY C C 18 172.372 171.609 0.763 1
1 146 . 17 1 1 A 18 18 GLY CA C 18 44.898 45.849 -0.951 1
1 147 . 17 1 1 A 18 18 GLY N N 18 113.988 108.703 5.285 1
1 148 . 17 1 1 A 19 19 PRO HA H 19 4.441 4.713 -0.272 1
1 155 . 17 1 1 A 19 19 PRO C C 19 177.039 176.889 0.150 1
1 156 . 17 1 1 A 19 19 PRO CA C 19 63.268 62.826 0.442 1
1 157 . 17 1 1 A 19 19 PRO CB C 19 32.159 32.848 -0.689 1
1 160 . 17 1 1 A 20 20 ARG H H 20 8.414 8.833 -0.419 1
1 161 . 17 1 1 A 20 20 ARG HA H 20 4.339 4.535 -0.196 1
1 167 . 17 1 1 A 20 20 ARG C C 20 176.312 174.537 1.775 1
1 168 . 17 1 1 A 20 20 ARG CA C 20 56.111 55.637 0.474 1
1 169 . 17 1 1 A 20 20 ARG CB C 20 30.612 30.379 0.233 1
1 172 . 17 1 1 A 20 20 ARG N N 20 120.839 120.303 0.536 1
1 173 . 17 1 1 A 21 21 LEU H H 21 8.306 7.462 0.844 1
1 174 . 17 1 1 A 21 21 LEU HA H 21 4.405 4.733 -0.328 1
1 183 . 17 1 1 A 21 21 LEU C C 21 177.403 175.822 1.581 1
1 184 . 17 1 1 A 21 21 LEU CA C 21 55.141 53.598 1.543 1
1 185 . 17 1 1 A 21 21 LEU CB C 21 42.190 42.813 -0.623 1
1 189 . 17 1 1 A 21 21 LEU N N 21 123.561 121.669 1.892 1
1 190 . 17 1 1 A 22 22 GLN H H 22 8.406 8.938 -0.532 1
1 191 . 17 1 1 A 22 22 GLN HA H 22 4.336 4.639 -0.303 1
1 198 . 17 1 1 A 22 22 GLN C C 22 175.699 175.378 0.321 1
1 199 . 17 1 1 A 22 22 GLN CA C 22 56.181 55.090 1.091 1
1 200 . 17 1 1 A 22 22 GLN CB C 22 29.492 29.043 0.449 1
1 202 . 17 1 1 A 22 22 GLN N N 22 120.835 123.398 -2.563 1
1 204 . 17 1 1 A 24 24 SER HA H 24 4.451 4.613 -0.162 1
1 207 . 17 1 1 A 24 24 SER C C 24 173.514 174.445 -0.931 1
1 208 . 17 1 1 A 24 24 SER CA C 24 58.579 59.730 -1.151 1
1 209 . 17 1 1 A 24 24 SER CB C 24 63.967 63.096 0.871 1
1 210 . 17 1 1 A 25 25 THR H H 25 7.806 8.890 -1.084 1
1 211 . 17 1 1 A 25 25 THR HA H 25 4.348 5.452 -1.104 1
1 216 . 17 1 1 A 25 25 THR C C 25 173.359 172.831 0.528 1
1 217 . 17 1 1 A 25 25 THR CA C 25 61.593 59.231 2.362 1
1 218 . 17 1 1 A 25 25 THR CB C 25 70.716 71.874 -1.158 1
1 220 . 17 1 1 A 25 25 THR N N 25 114.185 116.731 -2.546 1
1 221 . 17 1 1 A 26 26 TYR H H 26 8.598 9.352 -0.754 1
1 222 . 17 1 1 A 26 26 TYR HA H 26 4.670 5.190 -0.520 1
1 229 . 17 1 1 A 26 26 TYR C C 26 174.444 174.803 -0.359 1
1 230 . 17 1 1 A 26 26 TYR CA C 26 56.798 56.391 0.407 1
1 231 . 17 1 1 A 26 26 TYR CB C 26 39.717 40.210 -0.493 1
1 236 . 17 1 1 A 26 26 TYR N N 26 121.326 119.860 1.466 1
1 237 . 17 1 1 A 27 27 GLN H H 27 8.528 8.670 -0.142 1
1 238 . 17 1 1 A 27 27 GLN HA H 27 4.670 4.803 -0.133 1
1 245 . 17 1 1 A 27 27 GLN C C 27 175.055 175.087 -0.032 1
1 246 . 17 1 1 A 27 27 GLN CA C 27 54.718 54.505 0.213 1
1 247 . 17 1 1 A 27 27 GLN CB C 27 30.938 28.521 2.417 1
1 249 . 17 1 1 A 27 27 GLN N N 27 123.045 124.351 -1.306 1
1 251 . 17 1 1 A 28 28 CYS H H 28 8.682 8.384 0.298 1
1 252 . 17 1 1 A 28 28 CYS HA H 28 4.331 4.461 -0.130 1
1 255 . 17 1 1 A 28 28 CYS C C 28 176.610 176.781 -0.171 1
1 256 . 17 1 1 A 28 28 CYS CA C 28 60.394 60.203 0.191 1
1 257 . 17 1 1 A 28 28 CYS CB C 28 29.850 28.977 0.873 1
1 258 . 17 1 1 A 28 28 CYS N N 28 129.276 126.453 2.823 1
1 259 . 17 1 1 A 29 29 LYS H H 29 8.454 8.431 0.023 1
1 260 . 17 1 1 A 29 29 LYS HA H 29 4.257 4.253 0.004 1
1 269 . 17 1 1 A 29 29 LYS C C 29 176.581 175.456 1.125 1
1 270 . 17 1 1 A 29 29 LYS CA C 29 57.584 57.383 0.201 1
1 271 . 17 1 1 A 29 29 LYS CB C 29 32.145 31.899 0.246 1
1 275 . 17 1 1 A 29 29 LYS N N 29 127.445 123.567 3.878 1
1 276 . 17 1 1 A 30 30 HIS H H 30 9.625 8.060 1.565 1
1 277 . 17 1 1 A 30 30 HIS HA H 30 4.608 4.580 0.028 1
1 281 . 17 1 1 A 30 30 HIS C C 30 175.524 176.364 -0.840 1
1 282 . 17 1 1 A 30 30 HIS CA C 30 56.956 57.117 -0.161 1
1 283 . 17 1 1 A 30 30 HIS CB C 30 30.732 31.362 -0.630 1
1 285 . 17 1 1 A 30 30 HIS N N 30 121.657 116.676 4.981 1
1 286 . 17 1 1 A 31 31 CYS H H 31 8.086 8.111 -0.025 1
1 287 . 17 1 1 A 31 31 CYS HA H 31 5.078 4.528 0.550 1
1 290 . 17 1 1 A 31 31 CYS C C 31 173.769 174.735 -0.966 1
1 291 . 17 1 1 A 31 31 CYS CA C 31 58.349 58.458 -0.109 1
1 292 . 17 1 1 A 31 31 CYS CB C 31 31.268 29.830 1.438 1
1 293 . 17 1 1 A 31 31 CYS N N 31 118.457 113.149 5.308 1
1 294 . 17 1 1 A 32 32 ASP H H 32 8.135 8.183 -0.048 1
1 295 . 17 1 1 A 32 32 ASP HA H 32 4.637 4.442 0.195 1
1 298 . 17 1 1 A 32 32 ASP C C 32 176.540 175.436 1.104 1
1 299 . 17 1 1 A 32 32 ASP CA C 32 55.687 55.155 0.532 1
1 300 . 17 1 1 A 32 32 ASP CB C 32 40.418 39.395 1.023 1
1 301 . 17 1 1 A 32 32 ASP N N 32 116.820 120.917 -4.097 1
1 302 . 17 1 1 A 33 33 SER H H 33 8.667 7.839 0.828 1
1 303 . 17 1 1 A 33 33 SER HA H 33 4.267 4.838 -0.571 1
1 306 . 17 1 1 A 33 33 SER C C 33 172.462 172.684 -0.222 1
1 307 . 17 1 1 A 33 33 SER CA C 33 61.452 55.966 5.486 1
1 308 . 17 1 1 A 33 33 SER CB C 33 63.893 65.296 -1.403 1
1 309 . 17 1 1 A 33 33 SER N N 33 119.488 113.201 6.287 1
1 310 . 17 1 1 A 34 34 LYS H H 34 8.389 8.322 0.067 1
1 311 . 17 1 1 A 34 34 LYS HA H 34 4.747 5.545 -0.798 1
1 320 . 17 1 1 A 34 34 LYS C C 34 175.517 175.161 0.356 1
1 321 . 17 1 1 A 34 34 LYS CA C 34 55.476 54.834 0.642 1
1 322 . 17 1 1 A 34 34 LYS CB C 34 33.526 35.340 -1.814 1
1 326 . 17 1 1 A 34 34 LYS N N 34 122.954 121.236 1.718 1
1 327 . 17 1 1 A 35 35 LEU H H 35 8.825 8.798 0.027 1
1 328 . 17 1 1 A 35 35 LEU HA H 35 4.847 4.872 -0.025 1
1 338 . 17 1 1 A 35 35 LEU C C 35 177.476 177.115 0.361 1
1 339 . 17 1 1 A 35 35 LEU CA C 35 52.673 53.235 -0.562 1
1 340 . 17 1 1 A 35 35 LEU CB C 35 42.115 44.749 -2.634 1
1 344 . 17 1 1 A 35 35 LEU N N 35 126.489 125.918 0.571 1
1 345 . 17 1 1 A 36 36 GLN H H 36 8.883 8.801 0.082 1
1 346 . 17 1 1 A 36 36 GLN HA H 36 4.565 4.048 0.517 1
1 353 . 17 1 1 A 36 36 GLN C C 36 175.227 174.875 0.352 1
1 354 . 17 1 1 A 36 36 GLN CA C 36 56.763 58.453 -1.690 1
1 355 . 17 1 1 A 36 36 GLN CB C 36 30.225 29.454 0.771 1
1 357 . 17 1 1 A 36 36 GLN N N 36 116.410 123.387 -6.977 1
1 359 . 17 1 1 A 37 37 SER H H 37 7.345 7.539 -0.194 1
1 360 . 17 1 1 A 37 37 SER HA H 37 4.569 3.816 0.753 1
1 363 . 17 1 1 A 37 37 SER C C 37 179.414 173.311 6.103 1
1 364 . 17 1 1 A 37 37 SER CA C 37 56.780 55.577 1.203 1
1 365 . 17 1 1 A 37 37 SER CB C 37 66.444 65.076 1.368 1
1 366 . 17 1 1 A 37 37 SER N N 37 110.125 112.606 -2.481 1
1 367 . 17 1 1 A 38 38 THR H H 38 8.099 8.383 -0.284 1
1 368 . 17 1 1 A 38 38 THR HA H 38 3.627 3.675 -0.048 1
1 373 . 17 1 1 A 38 38 THR CA C 38 65.831 66.464 -0.633 1
1 374 . 17 1 1 A 38 38 THR CB C 38 68.118 68.770 -0.652 1
1 376 . 17 1 1 A 38 38 THR N N 38 121.696 118.932 2.764 1
1 377 . 17 1 1 A 39 39 ALA HA H 39 4.155 4.030 0.125 1
1 381 . 17 1 1 A 39 39 ALA C C 39 180.623 179.175 1.448 1
1 382 . 17 1 1 A 39 39 ALA CA C 39 55.406 55.381 0.025 1
1 383 . 17 1 1 A 39 39 ALA CB C 39 18.098 18.634 -0.536 1
1 384 . 17 1 1 A 40 40 GLU H H 40 7.881 7.938 -0.057 1
1 385 . 17 1 1 A 40 40 GLU HA H 40 4.114 4.199 -0.085 1
1 390 . 17 1 1 A 40 40 GLU C C 40 179.352 178.893 0.459 1
1 391 . 17 1 1 A 40 40 GLU CA C 40 58.914 58.983 -0.069 1
1 392 . 17 1 1 A 40 40 GLU CB C 40 30.822 29.930 0.892 1
1 394 . 17 1 1 A 40 40 GLU N N 40 118.475 117.540 0.935 1
1 395 . 17 1 1 A 41 41 LEU H H 41 8.096 7.954 0.142 1
1 396 . 17 1 1 A 41 41 LEU HA H 41 4.115 4.103 0.012 1
1 406 . 17 1 1 A 41 41 LEU C C 41 177.620 178.684 -1.064 1
1 407 . 17 1 1 A 41 41 LEU CA C 41 58.841 57.760 1.081 1
1 408 . 17 1 1 A 41 41 LEU CB C 41 41.442 41.613 -0.171 1
1 412 . 17 1 1 A 41 41 LEU N N 41 121.715 122.459 -0.744 1
1 413 . 17 1 1 A 42 42 THR H H 42 8.599 8.422 0.177 1
1 414 . 17 1 1 A 42 42 THR HA H 42 3.860 4.011 -0.151 1
1 419 . 17 1 1 A 42 42 THR C C 42 176.761 176.290 0.471 1
1 420 . 17 1 1 A 42 42 THR CA C 42 67.345 66.125 1.220 1
1 421 . 17 1 1 A 42 42 THR CB C 42 68.758 68.469 0.289 1
1 423 . 17 1 1 A 42 42 THR N N 42 115.801 115.579 0.222 1
1 424 . 17 1 1 A 43 43 SER H H 43 7.833 7.849 -0.016 1
1 425 . 17 1 1 A 43 43 SER HA H 43 4.251 4.218 0.033 1
1 428 . 17 1 1 A 43 43 SER C C 43 176.836 176.308 0.528 1
1 429 . 17 1 1 A 43 43 SER CA C 43 61.646 61.839 -0.193 1
1 430 . 17 1 1 A 43 43 SER CB C 43 62.750 63.490 -0.740 1
1 431 . 17 1 1 A 43 43 SER N N 43 115.657 117.643 -1.986 1
1 432 . 17 1 1 A 44 44 HIS H H 44 8.415 8.218 0.197 1
1 433 . 17 1 1 A 44 44 HIS HA H 44 4.182 4.314 -0.132 1
1 438 . 17 1 1 A 44 44 HIS C C 44 177.125 177.309 -0.184 1
1 439 . 17 1 1 A 44 44 HIS CA C 44 60.094 59.831 0.263 1
1 440 . 17 1 1 A 44 44 HIS CB C 44 28.846 30.388 -1.542 1
1 443 . 17 1 1 A 44 44 HIS N N 44 122.271 122.297 -0.026 1
1 444 . 17 1 1 A 45 45 LEU H H 45 8.854 9.032 -0.178 1
1 445 . 17 1 1 A 45 45 LEU HA H 45 4.100 3.827 0.273 1
1 455 . 17 1 1 A 45 45 LEU C C 45 179.448 179.076 0.372 1
1 456 . 17 1 1 A 45 45 LEU CA C 45 58.297 57.924 0.373 1
1 457 . 17 1 1 A 45 45 LEU CB C 45 41.666 41.221 0.445 1
1 461 . 17 1 1 A 45 45 LEU N N 45 118.289 119.397 -1.108 1
1 462 . 17 1 1 A 46 46 ASN H H 46 7.730 8.399 -0.669 1
1 463 . 17 1 1 A 46 46 ASN HA H 46 4.502 4.445 0.057 1
1 468 . 17 1 1 A 46 46 ASN C C 46 177.759 177.925 -0.166 1
1 469 . 17 1 1 A 46 46 ASN CA C 46 56.163 56.551 -0.388 1
1 470 . 17 1 1 A 46 46 ASN CB C 46 38.069 38.105 -0.036 1
1 471 . 17 1 1 A 46 46 ASN N N 46 117.155 117.634 -0.479 1
1 473 . 17 1 1 A 47 47 ILE H H 47 7.670 7.443 0.227 1
1 474 . 17 1 1 A 47 47 ILE HA H 47 3.787 3.587 0.200 1
1 484 . 17 1 1 A 47 47 ILE C C 47 178.447 178.369 0.078 1
1 485 . 17 1 1 A 47 47 ILE CA C 47 64.273 65.289 -1.016 1
1 486 . 17 1 1 A 47 47 ILE CB C 47 37.214 37.244 -0.030 1
1 490 . 17 1 1 A 47 47 ILE N N 47 119.392 119.519 -0.127 1
1 491 . 17 1 1 A 48 48 HIS H H 48 6.999 7.869 -0.870 1
1 492 . 17 1 1 A 48 48 HIS HA H 48 4.437 4.283 0.154 1
1 497 . 17 1 1 A 48 48 HIS C C 48 175.932 177.773 -1.841 1
1 498 . 17 1 1 A 48 48 HIS CA C 48 56.855 59.234 -2.379 1
1 499 . 17 1 1 A 48 48 HIS CB C 48 27.971 29.659 -1.688 1
1 502 . 17 1 1 A 48 48 HIS N N 48 116.931 119.058 -2.127 1
1 503 . 17 1 1 A 49 49 ASN H H 49 8.059 8.239 -0.180 1
1 504 . 17 1 1 A 49 49 ASN HA H 49 4.555 4.273 0.282 1
1 509 . 17 1 1 A 49 49 ASN C C 49 177.139 177.722 -0.583 1
1 510 . 17 1 1 A 49 49 ASN CA C 49 55.552 56.565 -1.013 1
1 511 . 17 1 1 A 49 49 ASN CB C 49 38.495 37.784 0.711 1
1 512 . 17 1 1 A 49 49 ASN N N 49 118.208 117.487 0.721 1
1 514 . 17 1 1 A 50 50 GLU H H 50 8.336 8.388 -0.052 1
1 515 . 17 1 1 A 50 50 GLU HA H 50 4.090 4.080 0.010 1
1 520 . 17 1 1 A 50 50 GLU C C 50 178.637 178.791 -0.154 1
1 521 . 17 1 1 A 50 50 GLU CA C 50 59.246 59.498 -0.252 1
1 522 . 17 1 1 A 50 50 GLU CB C 50 29.582 29.412 0.170 1
1 524 . 17 1 1 A 50 50 GLU N N 50 121.316 117.572 3.744 1
1 525 . 17 1 1 A 51 51 GLU H H 51 7.932 8.096 -0.164 1
1 526 . 17 1 1 A 51 51 GLU HA H 51 4.093 4.040 0.053 1
1 531 . 17 1 1 A 51 51 GLU C C 51 179.088 179.167 -0.079 1
1 532 . 17 1 1 A 51 51 GLU CA C 51 59.037 59.527 -0.490 1
1 533 . 17 1 1 A 51 51 GLU CB C 51 29.183 29.210 -0.027 1
1 535 . 17 1 1 A 51 51 GLU N N 51 120.058 120.045 0.013 1
1 536 . 17 1 1 A 52 52 PHE H H 52 8.345 8.810 -0.465 1
1 537 . 17 1 1 A 52 52 PHE HA H 52 4.411 4.063 0.348 1
1 545 . 17 1 1 A 52 52 PHE C C 52 178.654 177.679 0.975 1
1 546 . 17 1 1 A 52 52 PHE CA C 52 59.523 61.472 -1.949 1
1 547 . 17 1 1 A 52 52 PHE CB C 52 38.261 39.014 -0.753 1
1 553 . 17 1 1 A 52 52 PHE N N 52 119.698 121.239 -1.541 1
1 554 . 17 1 1 A 53 53 GLN H H 53 8.197 8.938 -0.741 1
1 555 . 17 1 1 A 53 53 GLN HA H 53 4.153 3.860 0.293 1
1 562 . 17 1 1 A 53 53 GLN C C 53 178.059 177.927 0.132 1
1 563 . 17 1 1 A 53 53 GLN CA C 53 58.120 58.456 -0.336 1
1 564 . 17 1 1 A 53 53 GLN CB C 53 28.591 28.748 -0.157 1
1 566 . 17 1 1 A 53 53 GLN N N 53 118.967 118.387 0.580 1
1 568 . 17 1 1 A 54 54 LYS H H 54 8.008 8.208 -0.200 1
1 569 . 17 1 1 A 54 54 LYS HA H 54 4.118 4.029 0.089 1
1 577 . 17 1 1 A 54 54 LYS C C 54 178.686 178.942 -0.256 1
1 578 . 17 1 1 A 54 54 LYS CA C 54 59.002 59.790 -0.788 1
1 579 . 17 1 1 A 54 54 LYS CB C 54 32.608 32.420 0.188 1
1 583 . 17 1 1 A 54 54 LYS N N 54 119.791 119.911 -0.120 1
1 584 . 17 1 1 A 55 55 ARG H H 55 7.978 7.509 0.469 1
1 585 . 17 1 1 A 55 55 ARG HA H 55 4.136 4.057 0.079 1
1 592 . 17 1 1 A 55 55 ARG C C 55 177.610 175.794 1.816 1
1 593 . 17 1 1 A 55 55 ARG CA C 55 58.183 58.860 -0.677 1
1 594 . 17 1 1 A 55 55 ARG CB C 55 30.410 29.891 0.519 1
1 597 . 17 1 1 A 55 55 ARG N N 55 119.619 119.398 0.221 1
1 598 . 17 1 1 A 56 56 ALA H H 56 8.008 7.854 0.154 1
1 599 . 17 1 1 A 56 56 ALA HA H 56 4.196 3.654 0.542 1
1 603 . 17 1 1 A 56 56 ALA C C 56 179.269 176.251 3.018 1
1 604 . 17 1 1 A 56 56 ALA CA C 56 53.930 52.977 0.953 1
1 605 . 17 1 1 A 56 56 ALA CB C 56 18.539 16.896 1.643 1
1 606 . 17 1 1 A 56 56 ALA N N 56 122.850 120.745 2.105 1
1 607 . 17 1 1 A 57 57 LYS H H 57 8.014 7.629 0.385 1
1 608 . 17 1 1 A 57 57 LYS HA H 57 4.225 4.159 0.066 1
1 617 . 17 1 1 A 57 57 LYS C C 57 177.892 176.311 1.581 1
1 618 . 17 1 1 A 57 57 LYS CA C 57 57.504 55.664 1.840 1
1 619 . 17 1 1 A 57 57 LYS CB C 57 32.646 33.466 -0.820 1
1 623 . 17 1 1 A 57 57 LYS N N 57 118.986 117.846 1.140 1
1 624 . 17 1 1 A 58 58 ARG H H 58 8.039 8.281 -0.242 1
1 625 . 17 1 1 A 58 58 ARG HA H 58 4.229 4.132 0.097 1
1 632 . 17 1 1 A 58 58 ARG C C 58 177.156 176.911 0.245 1
1 633 . 17 1 1 A 58 58 ARG CA C 58 57.425 57.301 0.124 1
1 634 . 17 1 1 A 58 58 ARG CB C 58 30.561 30.386 0.175 1
1 637 . 17 1 1 A 58 58 ARG N N 58 120.747 124.640 -3.893 1
1 638 . 17 1 1 A 59 59 GLN H H 59 8.195 8.672 -0.477 1
1 639 . 17 1 1 A 59 59 GLN HA H 59 4.228 4.567 -0.339 1
1 644 . 17 1 1 A 59 59 GLN CA C 59 57.412 54.908 2.504 1
1 645 . 17 1 1 A 59 59 GLN CB C 59 32.773 29.704 3.069 1
1 647 . 17 1 1 A 59 59 GLN N N 59 121.145 123.163 -2.018 1
1 648 . 17 1 1 A 60 60 GLU HA H 60 4.256 3.952 0.304 1
1 653 . 17 1 1 A 60 60 GLU CA C 60 56.093 57.393 -1.300 1
1 654 . 17 1 1 A 60 60 GLU CB C 60 29.429 28.530 0.899 1
1 656 . 17 1 1 A 63 63 LYS HA H 63 4.263 4.783 -0.520 1
1 663 . 17 1 1 A 63 63 LYS CA C 63 56.908 55.860 1.048 1
1 664 . 17 1 1 A 63 63 LYS CB C 63 32.778 35.714 -2.936 1
1 665 . 17 1 1 A 64 64 GLN H H 64 8.261 8.641 -0.380 1
1 666 . 17 1 1 A 64 64 GLN HA H 64 4.253 4.869 -0.616 1
1 673 . 17 1 1 A 64 64 GLN C C 64 176.687 175.142 1.545 1
1 674 . 17 1 1 A 64 64 GLN CA C 64 56.780 54.338 2.442 1
1 675 . 17 1 1 A 64 64 GLN CB C 64 29.198 32.553 -3.355 1
1 677 . 17 1 1 A 64 64 GLN N N 64 120.299 124.720 -4.421 1
1 679 . 17 1 1 A 65 65 LEU H H 65 8.190 8.500 -0.310 1
1 680 . 17 1 1 A 65 65 LEU HA H 65 4.306 4.426 -0.120 1
1 690 . 17 1 1 A 65 65 LEU C C 65 177.894 176.632 1.262 1
1 691 . 17 1 1 A 65 65 LEU CA C 65 55.952 55.203 0.749 1
1 692 . 17 1 1 A 65 65 LEU CB C 65 42.313 41.220 1.093 1
1 696 . 17 1 1 A 65 65 LEU N N 65 122.723 124.703 -1.980 1
1 697 . 17 1 1 A 66 66 LEU H H 66 8.165 8.341 -0.176 1
1 698 . 17 1 1 A 66 66 LEU HA H 66 4.305 4.792 -0.487 1
1 708 . 17 1 1 A 66 66 LEU C C 66 177.867 174.655 3.212 1
1 709 . 17 1 1 A 66 66 LEU CA C 66 55.775 54.743 1.032 1
1 710 . 17 1 1 A 66 66 LEU CB C 66 42.336 45.161 -2.825 1
1 714 . 17 1 1 A 66 66 LEU N N 66 121.812 125.493 -3.681 1
1 715 . 17 1 1 A 67 67 SER H H 67 8.104 8.676 -0.572 1
1 716 . 17 1 1 A 67 67 SER CA C 67 58.896 57.124 1.772 1
1 717 . 17 1 1 A 67 67 SER CB C 67 63.674 64.922 -1.248 1
1 718 . 17 1 1 A 67 67 SER N N 67 115.632 119.109 -3.477 1
1 719 . 17 1 1 A 69 69 GLN HA H 69 4.221 4.952 -0.731 1
1 724 . 17 1 1 A 69 69 GLN CA C 69 57.547 54.578 2.969 1
1 725 . 17 1 1 A 69 69 GLN CB C 69 30.314 29.893 0.421 1
1 727 . 17 1 1 A 70 70 LYS H H 70 8.255 8.705 -0.450 1
1 728 . 17 1 1 A 70 70 LYS HA H 70 4.220 4.864 -0.644 1
1 737 . 17 1 1 A 70 70 LYS C C 70 176.303 174.197 2.106 1
1 738 . 17 1 1 A 70 70 LYS CA C 70 56.639 54.676 1.963 1
1 739 . 17 1 1 A 70 70 LYS CB C 70 33.080 32.860 0.220 1
1 743 . 17 1 1 A 70 70 LYS N N 70 121.417 127.603 -6.186 1
1 744 . 17 1 1 A 71 71 TYR H H 71 8.142 8.698 -0.556 1
1 745 . 17 1 1 A 71 71 TYR HA H 71 4.571 5.138 -0.567 1
1 752 . 17 1 1 A 71 71 TYR C C 71 175.736 174.467 1.269 1
1 753 . 17 1 1 A 71 71 TYR CA C 71 57.768 56.490 1.278 1
1 754 . 17 1 1 A 71 71 TYR CB C 71 38.894 43.519 -4.625 1
1 759 . 17 1 1 A 71 71 TYR N N 71 120.561 126.444 -5.883 1
1 760 . 17 1 1 A 72 72 ALA H H 72 8.237 8.787 -0.550 1
1 761 . 17 1 1 A 72 72 ALA HA H 72 4.292 4.955 -0.663 1
1 765 . 17 1 1 A 72 72 ALA C C 72 177.276 175.483 1.793 1
1 766 . 17 1 1 A 72 72 ALA CA C 72 52.642 51.482 1.160 1
1 767 . 17 1 1 A 72 72 ALA CB C 72 19.405 23.640 -4.235 1
1 768 . 17 1 1 A 72 72 ALA N N 72 125.192 121.671 3.521 1
1 769 . 17 1 1 A 73 73 ASP H H 73 8.220 8.868 -0.648 1
1 770 . 17 1 1 A 73 73 ASP HA H 73 4.549 5.621 -1.072 1
1 773 . 17 1 1 A 73 73 ASP C C 73 176.922 174.917 2.005 1
1 774 . 17 1 1 A 73 73 ASP CA C 73 54.682 52.371 2.311 1
1 775 . 17 1 1 A 73 73 ASP CB C 73 41.239 44.931 -3.692 1
1 776 . 17 1 1 A 73 73 ASP N N 73 119.269 117.032 2.237 1
1 777 . 17 1 1 A 74 74 GLY H H 74 8.269 8.433 -0.164 1
1 778 . 17 1 1 A 74 74 GLY HA2 H 74 3.963 4.212 -0.249 1
1 779 . 17 1 1 A 74 74 GLY HA3 H 74 3.879 4.228 -0.349 1
1 780 . 17 1 1 A 74 74 GLY C C 74 174.132 175.246 -1.114 1
1 781 . 17 1 1 A 74 74 GLY CA C 74 45.551 45.995 -0.444 1
1 782 . 17 1 1 A 74 74 GLY N N 74 109.209 106.290 2.919 1
1 783 . 17 1 1 A 75 75 ALA H H 75 8.048 8.158 -0.110 1
1 784 . 17 1 1 A 75 75 ALA HA H 75 4.221 4.008 0.213 1
1 788 . 17 1 1 A 75 75 ALA C C 75 177.507 175.853 1.654 1
1 789 . 17 1 1 A 75 75 ALA CA C 75 52.638 53.169 -0.531 1
1 790 . 17 1 1 A 75 75 ALA CB C 75 19.281 17.378 1.903 1
1 791 . 17 1 1 A 75 75 ALA N N 75 123.382 119.827 3.555 1
1 792 . 17 1 1 A 76 76 PHE H H 76 8.126 7.838 0.288 1
1 793 . 17 1 1 A 76 76 PHE HA H 76 4.541 5.131 -0.590 1
1 798 . 17 1 1 A 76 76 PHE C C 76 175.620 174.597 1.023 1
1 799 . 17 1 1 A 76 76 PHE CA C 76 57.733 56.367 1.366 1
1 800 . 17 1 1 A 76 76 PHE CB C 76 39.429 42.375 -2.946 1
1 801 . 17 1 1 A 76 76 PHE N N 76 118.540 117.067 1.473 1
1 802 . 17 1 1 A 77 77 ALA H H 77 8.017 8.652 -0.635 1
1 803 . 17 1 1 A 77 77 ALA HA H 77 4.207 5.046 -0.839 1
1 807 . 17 1 1 A 77 77 ALA C C 77 176.990 175.446 1.544 1
1 808 . 17 1 1 A 77 77 ALA CA C 77 52.602 51.689 0.913 1
1 809 . 17 1 1 A 77 77 ALA CB C 77 19.528 23.209 -3.681 1
1 810 . 17 1 1 A 77 77 ALA N N 77 124.826 122.035 2.791 1
1 811 . 17 1 1 A 78 78 ASP H H 78 8.061 8.879 -0.818 1
1 812 . 17 1 1 A 78 78 ASP HA H 78 4.538 5.485 -0.947 1
1 815 . 17 1 1 A 78 78 ASP C C 78 175.908 174.277 1.631 1
1 816 . 17 1 1 A 78 78 ASP CA C 78 54.189 53.355 0.834 1
1 817 . 17 1 1 A 78 78 ASP CB C 78 41.242 44.588 -3.346 1
1 818 . 17 1 1 A 78 78 ASP N N 78 119.019 117.244 1.775 1
1 819 . 17 1 1 A 79 79 PHE H H 79 8.023 8.889 -0.866 1
1 820 . 17 1 1 A 79 79 PHE HA H 79 4.586 4.836 -0.250 1
1 825 . 17 1 1 A 79 79 PHE C C 79 175.551 173.276 2.275 1
1 826 . 17 1 1 A 79 79 PHE CA C 79 57.891 58.203 -0.312 1
1 827 . 17 1 1 A 79 79 PHE CB C 79 39.484 42.487 -3.003 1
1 828 . 17 1 1 A 79 79 PHE N N 79 120.449 119.737 0.712 1
1 829 . 17 1 1 A 80 80 LYS H H 80 8.161 8.247 -0.086 1
1 830 . 17 1 1 A 80 80 LYS HA H 80 4.251 4.300 -0.049 1
1 836 . 17 1 1 A 80 80 LYS C C 80 176.027 175.293 0.734 1
1 837 . 17 1 1 A 80 80 LYS CA C 80 56.233 55.809 0.424 1
1 838 . 17 1 1 A 80 80 LYS CB C 80 33.084 33.256 -0.172 1
1 842 . 17 1 1 A 80 80 LYS N N 80 123.309 127.070 -3.761 1
1 843 . 17 1 1 A 81 81 GLN H H 81 8.329 8.760 -0.431 1
1 844 . 17 1 1 A 81 81 GLN HA H 81 4.284 4.310 -0.026 1
1 851 . 17 1 1 A 81 81 GLN C C 81 176.009 175.399 0.610 1
1 852 . 17 1 1 A 81 81 GLN CA C 81 55.952 56.908 -0.956 1
1 853 . 17 1 1 A 81 81 GLN CB C 81 29.623 31.416 -1.793 1
1 855 . 17 1 1 A 81 81 GLN N N 81 121.944 125.127 -3.183 1
1 857 . 17 1 1 A 82 82 GLU H H 82 8.542 7.484 1.058 1
1 858 . 17 1 1 A 82 82 GLU HA H 82 4.350 4.226 0.124 1
1 862 . 17 1 1 A 82 82 GLU C C 82 176.509 176.644 -0.135 1
1 863 . 17 1 1 A 82 82 GLU CA C 82 56.675 56.806 -0.131 1
1 864 . 17 1 1 A 82 82 GLU CB C 82 30.447 29.887 0.560 1
1 866 . 17 1 1 A 82 82 GLU N N 82 122.687 117.223 5.464 1
1 867 . 17 1 1 A 83 83 SER H H 83 8.418 8.743 -0.325 1
1 868 . 17 1 1 A 83 83 SER HA H 83 4.516 5.104 -0.588 1
1 871 . 17 1 1 A 83 83 SER C C 83 174.538 173.180 1.358 1
1 872 . 17 1 1 A 83 83 SER CA C 83 58.403 57.021 1.382 1
1 873 . 17 1 1 A 83 83 SER CB C 83 64.018 66.956 -2.938 1
1 874 . 17 1 1 A 83 83 SER N N 83 116.897 116.860 0.037 1
1 875 . 17 1 1 A 84 84 GLY H H 84 8.276 8.468 -0.192 1
1 876 . 17 1 1 A 84 84 GLY C C 84 171.814 172.255 -0.441 1
1 877 . 17 1 1 A 84 84 GLY CA C 84 44.722 44.661 0.061 1
1 878 . 17 1 1 A 84 84 GLY N N 84 110.673 107.174 3.499 1
1 879 . 17 1 1 A 85 85 PRO HA H 85 4.497 4.559 -0.062 1
1 885 . 17 1 1 A 85 85 PRO C C 85 177.204 175.356 1.848 1
1 886 . 17 1 1 A 85 85 PRO CA C 85 63.290 62.385 0.905 1
1 887 . 17 1 1 A 85 85 PRO CB C 85 32.228 33.109 -0.881 1
1 890 . 17 1 1 A 86 86 SER H H 86 8.331 8.439 -0.108 1
1 891 . 17 1 1 A 86 86 SER HA H 86 4.339 5.162 -0.823 1
1 892 . 17 1 1 A 86 86 SER C C 86 174.935 172.977 1.958 1
1 893 . 17 1 1 A 86 86 SER CA C 86 61.769 56.647 5.122 1
1 894 . 17 1 1 A 86 86 SER CB C 86 69.836 66.855 2.981 1
1 895 . 17 1 1 A 86 86 SER N N 86 114.681 115.698 -1.017 1
1 896 . 17 1 1 A 87 87 SER H H 87 8.121 8.702 -0.581 1
1 897 . 17 1 1 A 87 87 SER CA C 87 61.963 56.542 5.421 1
1 898 . 17 1 1 A 87 87 SER CB C 87 69.818 65.746 4.072 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.975 4.143 -0.168 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.975 4.143 -0.168 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.115 171.935 2.180 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.392 45.785 -0.393 1
1 5 . 18 1 1 A 8 8 LEU H H 8 8.037 8.662 -0.625 1
1 6 . 18 1 1 A 8 8 LEU HA H 8 4.347 5.292 -0.945 1
1 16 . 18 1 1 A 8 8 LEU C C 8 177.426 175.081 2.345 1
1 17 . 18 1 1 A 8 8 LEU CA C 8 55.352 52.502 2.850 1
1 18 . 18 1 1 A 8 8 LEU CB C 8 42.478 46.303 -3.825 1
1 22 . 18 1 1 A 8 8 LEU N N 8 121.686 118.009 3.677 1
1 23 . 18 1 1 A 9 9 LYS H H 9 8.309 8.388 -0.079 1
1 24 . 18 1 1 A 9 9 LYS HA H 9 4.319 5.073 -0.754 1
1 29 . 18 1 1 A 9 9 LYS CA C 9 56.195 54.901 1.294 1
1 30 . 18 1 1 A 9 9 LYS CB C 9 32.820 37.218 -4.398 1
1 34 . 18 1 1 A 9 9 LYS N N 9 122.335 118.307 4.028 1
1 35 . 18 1 1 A 10 10 ARG HA H 10 4.306 5.326 -1.020 1
1 42 . 18 1 1 A 10 10 ARG C C 10 175.845 174.368 1.477 1
1 43 . 18 1 1 A 10 10 ARG CA C 10 56.146 54.598 1.548 1
1 44 . 18 1 1 A 10 10 ARG CB C 10 31.005 34.058 -3.053 1
1 47 . 18 1 1 A 11 11 ASP H H 11 8.293 8.990 -0.697 1
1 48 . 18 1 1 A 11 11 ASP HA H 11 4.582 5.470 -0.888 1
1 51 . 18 1 1 A 11 11 ASP C C 11 175.382 174.833 0.549 1
1 52 . 18 1 1 A 11 11 ASP CA C 11 54.612 53.734 0.878 1
1 53 . 18 1 1 A 11 11 ASP CB C 11 41.572 43.707 -2.135 1
1 54 . 18 1 1 A 11 11 ASP N N 11 120.563 120.957 -0.394 1
1 55 . 18 1 1 A 12 12 PHE H H 12 7.961 9.057 -1.096 1
1 56 . 18 1 1 A 12 12 PHE HA H 12 4.758 4.937 -0.179 1
1 63 . 18 1 1 A 12 12 PHE C C 12 175.068 174.723 0.345 1
1 64 . 18 1 1 A 12 12 PHE CA C 12 58.990 56.486 2.504 1
1 65 . 18 1 1 A 12 12 PHE CB C 12 40.037 43.679 -3.642 1
1 70 . 18 1 1 A 12 12 PHE N N 12 118.808 119.953 -1.145 1
1 71 . 18 1 1 A 13 13 ILE H H 13 8.167 8.779 -0.612 1
1 72 . 18 1 1 A 13 13 ILE HA H 13 4.167 5.018 -0.851 1
1 82 . 18 1 1 A 13 13 ILE C C 13 175.712 174.458 1.254 1
1 83 . 18 1 1 A 13 13 ILE CA C 13 60.976 59.622 1.354 1
1 84 . 18 1 1 A 13 13 ILE CB C 13 39.277 40.415 -1.138 1
1 88 . 18 1 1 A 13 13 ILE N N 13 122.190 117.092 5.098 1
1 89 . 18 1 1 A 14 14 ILE H H 14 8.287 9.209 -0.922 1
1 90 . 18 1 1 A 14 14 ILE HA H 14 4.163 4.846 -0.683 1
1 100 . 18 1 1 A 14 14 ILE C C 14 176.116 173.583 2.533 1
1 101 . 18 1 1 A 14 14 ILE CA C 14 61.142 59.928 1.214 1
1 102 . 18 1 1 A 14 14 ILE CB C 14 38.438 40.158 -1.720 1
1 106 . 18 1 1 A 14 14 ILE N N 14 125.550 128.473 -2.923 1
1 107 . 18 1 1 A 15 15 LEU H H 15 8.398 8.960 -0.562 1
1 108 . 18 1 1 A 15 15 LEU HA H 15 4.397 5.163 -0.766 1
1 118 . 18 1 1 A 15 15 LEU C C 15 177.749 176.877 0.872 1
1 119 . 18 1 1 A 15 15 LEU CA C 15 55.123 53.583 1.540 1
1 120 . 18 1 1 A 15 15 LEU CB C 15 42.560 44.680 -2.120 1
1 124 . 18 1 1 A 15 15 LEU N N 15 127.408 130.181 -2.773 1
1 125 . 18 1 1 A 16 16 GLY H H 16 8.347 8.699 -0.352 1
1 126 . 18 1 1 A 16 16 GLY HA2 H 16 3.964 4.063 -0.099 1
1 127 . 18 1 1 A 16 16 GLY HA3 H 16 3.964 4.065 -0.101 1
1 128 . 18 1 1 A 16 16 GLY C C 16 172.979 173.416 -0.437 1
1 129 . 18 1 1 A 16 16 GLY CA C 16 45.286 44.513 0.773 1
1 130 . 18 1 1 A 16 16 GLY N N 16 109.546 113.400 -3.854 1
1 131 . 18 1 1 A 17 17 ASN H H 17 7.974 8.476 -0.502 1
1 132 . 18 1 1 A 17 17 ASN HA H 17 4.577 5.513 -0.936 1
1 137 . 18 1 1 A 17 17 ASN C C 17 175.869 175.396 0.473 1
1 138 . 18 1 1 A 17 17 ASN CA C 17 54.665 51.879 2.786 1
1 139 . 18 1 1 A 17 17 ASN CB C 17 40.830 42.155 -1.325 1
1 140 . 18 1 1 A 17 17 ASN N N 17 124.057 118.376 5.681 1
1 142 . 18 1 1 A 18 18 GLY H H 18 8.150 8.598 -0.448 1
1 143 . 18 1 1 A 18 18 GLY HA2 H 18 4.073 4.138 -0.065 1
1 144 . 18 1 1 A 18 18 GLY HA3 H 18 4.073 4.139 -0.066 1
1 145 . 18 1 1 A 18 18 GLY C C 18 172.372 174.828 -2.456 1
1 146 . 18 1 1 A 18 18 GLY CA C 18 44.898 43.831 1.067 1
1 147 . 18 1 1 A 18 18 GLY N N 18 113.988 107.175 6.813 1
1 148 . 18 1 1 A 19 19 PRO HA H 19 4.441 4.352 0.089 1
1 155 . 18 1 1 A 19 19 PRO C C 19 177.039 177.687 -0.648 1
1 156 . 18 1 1 A 19 19 PRO CA C 19 63.268 65.152 -1.884 1
1 157 . 18 1 1 A 19 19 PRO CB C 19 32.159 31.532 0.627 1
1 160 . 18 1 1 A 20 20 ARG H H 20 8.414 8.059 0.355 1
1 161 . 18 1 1 A 20 20 ARG HA H 20 4.339 3.960 0.379 1
1 167 . 18 1 1 A 20 20 ARG C C 20 176.312 174.736 1.576 1
1 168 . 18 1 1 A 20 20 ARG CA C 20 56.111 57.181 -1.070 1
1 169 . 18 1 1 A 20 20 ARG CB C 20 30.612 28.781 1.831 1
1 172 . 18 1 1 A 20 20 ARG N N 20 120.839 118.171 2.668 1
1 173 . 18 1 1 A 21 21 LEU H H 21 8.306 7.493 0.813 1
1 174 . 18 1 1 A 21 21 LEU HA H 21 4.405 5.014 -0.609 1
1 183 . 18 1 1 A 21 21 LEU C C 21 177.403 175.804 1.599 1
1 184 . 18 1 1 A 21 21 LEU CA C 21 55.141 53.129 2.012 1
1 185 . 18 1 1 A 21 21 LEU CB C 21 42.190 44.969 -2.779 1
1 189 . 18 1 1 A 21 21 LEU N N 21 123.561 119.533 4.028 1
1 190 . 18 1 1 A 22 22 GLN H H 22 8.406 8.555 -0.149 1
1 191 . 18 1 1 A 22 22 GLN HA H 22 4.336 5.122 -0.786 1
1 198 . 18 1 1 A 22 22 GLN C C 22 175.699 174.192 1.507 1
1 199 . 18 1 1 A 22 22 GLN CA C 22 56.181 54.583 1.598 1
1 200 . 18 1 1 A 22 22 GLN CB C 22 29.492 32.198 -2.706 1
1 202 . 18 1 1 A 22 22 GLN N N 22 120.835 120.626 0.209 1
1 204 . 18 1 1 A 24 24 SER HA H 24 4.451 4.754 -0.303 1
1 207 . 18 1 1 A 24 24 SER C C 24 173.514 173.911 -0.397 1
1 208 . 18 1 1 A 24 24 SER CA C 24 58.579 57.717 0.862 1
1 209 . 18 1 1 A 24 24 SER CB C 24 63.967 63.431 0.536 1
1 210 . 18 1 1 A 25 25 THR H H 25 7.806 7.500 0.306 1
1 211 . 18 1 1 A 25 25 THR HA H 25 4.348 4.586 -0.238 1
1 216 . 18 1 1 A 25 25 THR C C 25 173.359 174.247 -0.888 1
1 217 . 18 1 1 A 25 25 THR CA C 25 61.593 62.176 -0.583 1
1 218 . 18 1 1 A 25 25 THR CB C 25 70.716 69.346 1.370 1
1 220 . 18 1 1 A 25 25 THR N N 25 114.185 117.226 -3.041 1
1 221 . 18 1 1 A 26 26 TYR H H 26 8.598 9.506 -0.908 1
1 222 . 18 1 1 A 26 26 TYR HA H 26 4.670 5.105 -0.435 1
1 229 . 18 1 1 A 26 26 TYR C C 26 174.444 175.026 -0.582 1
1 230 . 18 1 1 A 26 26 TYR CA C 26 56.798 57.352 -0.554 1
1 231 . 18 1 1 A 26 26 TYR CB C 26 39.717 39.479 0.238 1
1 236 . 18 1 1 A 26 26 TYR N N 26 121.326 123.164 -1.838 1
1 237 . 18 1 1 A 27 27 GLN H H 27 8.528 8.800 -0.272 1
1 238 . 18 1 1 A 27 27 GLN HA H 27 4.670 4.957 -0.287 1
1 245 . 18 1 1 A 27 27 GLN C C 27 175.055 175.633 -0.578 1
1 246 . 18 1 1 A 27 27 GLN CA C 27 54.718 55.184 -0.466 1
1 247 . 18 1 1 A 27 27 GLN CB C 27 30.938 30.692 0.246 1
1 249 . 18 1 1 A 27 27 GLN N N 27 123.045 123.068 -0.023 1
1 251 . 18 1 1 A 28 28 CYS H H 28 8.682 8.844 -0.162 1
1 252 . 18 1 1 A 28 28 CYS HA H 28 4.331 4.763 -0.432 1
1 255 . 18 1 1 A 28 28 CYS C C 28 176.610 176.062 0.548 1
1 256 . 18 1 1 A 28 28 CYS CA C 28 60.394 58.781 1.613 1
1 257 . 18 1 1 A 28 28 CYS CB C 28 29.850 29.333 0.517 1
1 258 . 18 1 1 A 28 28 CYS N N 28 129.276 125.208 4.068 1
1 259 . 18 1 1 A 29 29 LYS H H 29 8.454 8.501 -0.047 1
1 260 . 18 1 1 A 29 29 LYS HA H 29 4.257 4.624 -0.367 1
1 269 . 18 1 1 A 29 29 LYS C C 29 176.581 177.210 -0.629 1
1 270 . 18 1 1 A 29 29 LYS CA C 29 57.584 56.676 0.908 1
1 271 . 18 1 1 A 29 29 LYS CB C 29 32.145 33.420 -1.275 1
1 275 . 18 1 1 A 29 29 LYS N N 29 127.445 122.825 4.620 1
1 276 . 18 1 1 A 30 30 HIS H H 30 9.625 7.535 2.090 1
1 277 . 18 1 1 A 30 30 HIS HA H 30 4.608 4.328 0.280 1
1 281 . 18 1 1 A 30 30 HIS C C 30 175.524 176.369 -0.845 1
1 282 . 18 1 1 A 30 30 HIS CA C 30 56.956 58.428 -1.472 1
1 283 . 18 1 1 A 30 30 HIS CB C 30 30.732 30.632 0.100 1
1 285 . 18 1 1 A 30 30 HIS N N 30 121.657 116.706 4.951 1
1 286 . 18 1 1 A 31 31 CYS H H 31 8.086 7.876 0.210 1
1 287 . 18 1 1 A 31 31 CYS HA H 31 5.078 4.551 0.527 1
1 290 . 18 1 1 A 31 31 CYS C C 31 173.769 174.669 -0.900 1
1 291 . 18 1 1 A 31 31 CYS CA C 31 58.349 58.508 -0.159 1
1 292 . 18 1 1 A 31 31 CYS CB C 31 31.268 29.964 1.304 1
1 293 . 18 1 1 A 31 31 CYS N N 31 118.457 113.305 5.152 1
1 294 . 18 1 1 A 32 32 ASP H H 32 8.135 8.138 -0.003 1
1 295 . 18 1 1 A 32 32 ASP HA H 32 4.637 4.625 0.012 1
1 298 . 18 1 1 A 32 32 ASP C C 32 176.540 174.766 1.774 1
1 299 . 18 1 1 A 32 32 ASP CA C 32 55.687 55.521 0.166 1
1 300 . 18 1 1 A 32 32 ASP CB C 32 40.418 39.024 1.394 1
1 301 . 18 1 1 A 32 32 ASP N N 32 116.820 118.733 -1.913 1
1 302 . 18 1 1 A 33 33 SER H H 33 8.667 7.848 0.819 1
1 303 . 18 1 1 A 33 33 SER HA H 33 4.267 4.618 -0.351 1
1 306 . 18 1 1 A 33 33 SER C C 33 172.462 173.372 -0.910 1
1 307 . 18 1 1 A 33 33 SER CA C 33 61.452 56.693 4.759 1
1 308 . 18 1 1 A 33 33 SER CB C 33 63.893 65.094 -1.201 1
1 309 . 18 1 1 A 33 33 SER N N 33 119.488 112.351 7.137 1
1 310 . 18 1 1 A 34 34 LYS H H 34 8.389 8.388 0.001 1
1 311 . 18 1 1 A 34 34 LYS HA H 34 4.747 5.220 -0.473 1
1 320 . 18 1 1 A 34 34 LYS C C 34 175.517 175.226 0.291 1
1 321 . 18 1 1 A 34 34 LYS CA C 34 55.476 55.046 0.430 1
1 322 . 18 1 1 A 34 34 LYS CB C 34 33.526 34.539 -1.013 1
1 326 . 18 1 1 A 34 34 LYS N N 34 122.954 121.220 1.734 1
1 327 . 18 1 1 A 35 35 LEU H H 35 8.825 9.185 -0.360 1
1 328 . 18 1 1 A 35 35 LEU HA H 35 4.847 4.781 0.066 1
1 338 . 18 1 1 A 35 35 LEU C C 35 177.476 177.310 0.166 1
1 339 . 18 1 1 A 35 35 LEU CA C 35 52.673 53.119 -0.446 1
1 340 . 18 1 1 A 35 35 LEU CB C 35 42.115 43.788 -1.673 1
1 344 . 18 1 1 A 35 35 LEU N N 35 126.489 125.711 0.778 1
1 345 . 18 1 1 A 36 36 GLN H H 36 8.883 8.758 0.125 1
1 346 . 18 1 1 A 36 36 GLN HA H 36 4.565 3.935 0.630 1
1 353 . 18 1 1 A 36 36 GLN C C 36 175.227 174.822 0.405 1
1 354 . 18 1 1 A 36 36 GLN CA C 36 56.763 58.660 -1.897 1
1 355 . 18 1 1 A 36 36 GLN CB C 36 30.225 29.141 1.084 1
1 357 . 18 1 1 A 36 36 GLN N N 36 116.410 124.493 -8.083 1
1 359 . 18 1 1 A 37 37 SER H H 37 7.345 7.486 -0.141 1
1 360 . 18 1 1 A 37 37 SER HA H 37 4.569 2.974 1.595 1
1 363 . 18 1 1 A 37 37 SER C C 37 179.414 173.091 6.323 1
1 364 . 18 1 1 A 37 37 SER CA C 37 56.780 55.568 1.212 1
1 365 . 18 1 1 A 37 37 SER CB C 37 66.444 64.589 1.855 1
1 366 . 18 1 1 A 37 37 SER N N 37 110.125 112.033 -1.908 1
1 367 . 18 1 1 A 38 38 THR H H 38 8.099 8.187 -0.088 1
1 368 . 18 1 1 A 38 38 THR HA H 38 3.627 3.866 -0.239 1
1 373 . 18 1 1 A 38 38 THR CA C 38 65.831 66.577 -0.746 1
1 374 . 18 1 1 A 38 38 THR CB C 38 68.118 68.770 -0.652 1
1 376 . 18 1 1 A 38 38 THR N N 38 121.696 118.674 3.022 1
1 377 . 18 1 1 A 39 39 ALA HA H 39 4.155 4.018 0.137 1
1 381 . 18 1 1 A 39 39 ALA C C 39 180.623 179.335 1.288 1
1 382 . 18 1 1 A 39 39 ALA CA C 39 55.406 55.388 0.018 1
1 383 . 18 1 1 A 39 39 ALA CB C 39 18.098 18.587 -0.489 1
1 384 . 18 1 1 A 40 40 GLU H H 40 7.881 7.905 -0.024 1
1 385 . 18 1 1 A 40 40 GLU HA H 40 4.114 4.241 -0.127 1
1 390 . 18 1 1 A 40 40 GLU C C 40 179.352 178.878 0.474 1
1 391 . 18 1 1 A 40 40 GLU CA C 40 58.914 58.538 0.376 1
1 392 . 18 1 1 A 40 40 GLU CB C 40 30.822 30.377 0.445 1
1 394 . 18 1 1 A 40 40 GLU N N 40 118.475 117.090 1.385 1
1 395 . 18 1 1 A 41 41 LEU H H 41 8.096 7.854 0.242 1
1 396 . 18 1 1 A 41 41 LEU HA H 41 4.115 4.158 -0.043 1
1 406 . 18 1 1 A 41 41 LEU C C 41 177.620 178.586 -0.966 1
1 407 . 18 1 1 A 41 41 LEU CA C 41 58.841 58.218 0.623 1
1 408 . 18 1 1 A 41 41 LEU CB C 41 41.442 41.591 -0.149 1
1 412 . 18 1 1 A 41 41 LEU N N 41 121.715 122.076 -0.361 1
1 413 . 18 1 1 A 42 42 THR H H 42 8.599 8.411 0.188 1
1 414 . 18 1 1 A 42 42 THR HA H 42 3.860 3.907 -0.047 1
1 419 . 18 1 1 A 42 42 THR C C 42 176.761 176.626 0.135 1
1 420 . 18 1 1 A 42 42 THR CA C 42 67.345 66.187 1.158 1
1 421 . 18 1 1 A 42 42 THR CB C 42 68.758 68.610 0.148 1
1 423 . 18 1 1 A 42 42 THR N N 42 115.801 115.102 0.699 1
1 424 . 18 1 1 A 43 43 SER H H 43 7.833 7.718 0.115 1
1 425 . 18 1 1 A 43 43 SER HA H 43 4.251 4.256 -0.005 1
1 428 . 18 1 1 A 43 43 SER C C 43 176.836 177.001 -0.165 1
1 429 . 18 1 1 A 43 43 SER CA C 43 61.646 61.295 0.351 1
1 430 . 18 1 1 A 43 43 SER CB C 43 62.750 62.647 0.103 1
1 431 . 18 1 1 A 43 43 SER N N 43 115.657 116.403 -0.746 1
1 432 . 18 1 1 A 44 44 HIS H H 44 8.415 8.386 0.029 1
1 433 . 18 1 1 A 44 44 HIS HA H 44 4.182 4.131 0.051 1
1 438 . 18 1 1 A 44 44 HIS C C 44 177.125 176.754 0.371 1
1 439 . 18 1 1 A 44 44 HIS CA C 44 60.094 60.186 -0.092 1
1 440 . 18 1 1 A 44 44 HIS CB C 44 28.846 30.052 -1.206 1
1 443 . 18 1 1 A 44 44 HIS N N 44 122.271 121.879 0.392 1
1 444 . 18 1 1 A 45 45 LEU H H 45 8.854 8.874 -0.020 1
1 445 . 18 1 1 A 45 45 LEU HA H 45 4.100 3.818 0.282 1
1 455 . 18 1 1 A 45 45 LEU C C 45 179.448 178.704 0.744 1
1 456 . 18 1 1 A 45 45 LEU CA C 45 58.297 58.373 -0.076 1
1 457 . 18 1 1 A 45 45 LEU CB C 45 41.666 41.317 0.349 1
1 461 . 18 1 1 A 45 45 LEU N N 45 118.289 120.138 -1.849 1
1 462 . 18 1 1 A 46 46 ASN H H 46 7.730 8.312 -0.582 1
1 463 . 18 1 1 A 46 46 ASN HA H 46 4.502 4.416 0.086 1
1 468 . 18 1 1 A 46 46 ASN C C 46 177.759 178.039 -0.280 1
1 469 . 18 1 1 A 46 46 ASN CA C 46 56.163 56.391 -0.228 1
1 470 . 18 1 1 A 46 46 ASN CB C 46 38.069 37.897 0.172 1
1 471 . 18 1 1 A 46 46 ASN N N 46 117.155 116.423 0.732 1
1 473 . 18 1 1 A 47 47 ILE H H 47 7.670 7.945 -0.275 1
1 474 . 18 1 1 A 47 47 ILE HA H 47 3.787 3.923 -0.136 1
1 484 . 18 1 1 A 47 47 ILE C C 47 178.447 178.032 0.415 1
1 485 . 18 1 1 A 47 47 ILE CA C 47 64.273 65.134 -0.861 1
1 486 . 18 1 1 A 47 47 ILE CB C 47 37.214 37.481 -0.267 1
1 490 . 18 1 1 A 47 47 ILE N N 47 119.392 119.425 -0.033 1
1 491 . 18 1 1 A 48 48 HIS H H 48 6.999 7.812 -0.813 1
1 492 . 18 1 1 A 48 48 HIS HA H 48 4.437 4.118 0.319 1
1 497 . 18 1 1 A 48 48 HIS C C 48 175.932 177.764 -1.832 1
1 498 . 18 1 1 A 48 48 HIS CA C 48 56.855 59.739 -2.884 1
1 499 . 18 1 1 A 48 48 HIS CB C 48 27.971 29.155 -1.184 1
1 502 . 18 1 1 A 48 48 HIS N N 48 116.931 119.469 -2.538 1
1 503 . 18 1 1 A 49 49 ASN H H 49 8.059 8.219 -0.160 1
1 504 . 18 1 1 A 49 49 ASN HA H 49 4.555 4.234 0.321 1
1 509 . 18 1 1 A 49 49 ASN C C 49 177.139 177.838 -0.699 1
1 510 . 18 1 1 A 49 49 ASN CA C 49 55.552 56.420 -0.868 1
1 511 . 18 1 1 A 49 49 ASN CB C 49 38.495 37.786 0.709 1
1 512 . 18 1 1 A 49 49 ASN N N 49 118.208 117.451 0.757 1
1 514 . 18 1 1 A 50 50 GLU H H 50 8.336 8.818 -0.482 1
1 515 . 18 1 1 A 50 50 GLU HA H 50 4.090 4.111 -0.021 1
1 520 . 18 1 1 A 50 50 GLU C C 50 178.637 178.529 0.108 1
1 521 . 18 1 1 A 50 50 GLU CA C 50 59.246 59.480 -0.234 1
1 522 . 18 1 1 A 50 50 GLU CB C 50 29.582 29.285 0.297 1
1 524 . 18 1 1 A 50 50 GLU N N 50 121.316 117.693 3.623 1
1 525 . 18 1 1 A 51 51 GLU H H 51 7.932 7.670 0.262 1
1 526 . 18 1 1 A 51 51 GLU HA H 51 4.093 4.021 0.072 1
1 531 . 18 1 1 A 51 51 GLU C C 51 179.088 178.938 0.150 1
1 532 . 18 1 1 A 51 51 GLU CA C 51 59.037 59.213 -0.176 1
1 533 . 18 1 1 A 51 51 GLU CB C 51 29.183 29.344 -0.161 1
1 535 . 18 1 1 A 51 51 GLU N N 51 120.058 119.979 0.079 1
1 536 . 18 1 1 A 52 52 PHE H H 52 8.345 8.136 0.209 1
1 537 . 18 1 1 A 52 52 PHE HA H 52 4.411 4.340 0.071 1
1 545 . 18 1 1 A 52 52 PHE C C 52 178.654 177.451 1.203 1
1 546 . 18 1 1 A 52 52 PHE CA C 52 59.523 61.779 -2.256 1
1 547 . 18 1 1 A 52 52 PHE CB C 52 38.261 39.124 -0.863 1
1 553 . 18 1 1 A 52 52 PHE N N 52 119.698 121.085 -1.387 1
1 554 . 18 1 1 A 53 53 GLN H H 53 8.197 8.097 0.100 1
1 555 . 18 1 1 A 53 53 GLN HA H 53 4.153 3.849 0.304 1
1 562 . 18 1 1 A 53 53 GLN C C 53 178.059 178.707 -0.648 1
1 563 . 18 1 1 A 53 53 GLN CA C 53 58.120 59.375 -1.255 1
1 564 . 18 1 1 A 53 53 GLN CB C 53 28.591 28.415 0.176 1
1 566 . 18 1 1 A 53 53 GLN N N 53 118.967 118.488 0.479 1
1 568 . 18 1 1 A 54 54 LYS H H 54 8.008 7.903 0.105 1
1 569 . 18 1 1 A 54 54 LYS HA H 54 4.118 3.963 0.155 1
1 577 . 18 1 1 A 54 54 LYS C C 54 178.686 179.214 -0.528 1
1 578 . 18 1 1 A 54 54 LYS CA C 54 59.002 59.691 -0.689 1
1 579 . 18 1 1 A 54 54 LYS CB C 54 32.608 32.315 0.293 1
1 583 . 18 1 1 A 54 54 LYS N N 54 119.791 119.502 0.289 1
1 584 . 18 1 1 A 55 55 ARG H H 55 7.978 7.151 0.827 1
1 585 . 18 1 1 A 55 55 ARG HA H 55 4.136 4.018 0.118 1
1 592 . 18 1 1 A 55 55 ARG C C 55 177.610 175.898 1.712 1
1 593 . 18 1 1 A 55 55 ARG CA C 55 58.183 59.080 -0.897 1
1 594 . 18 1 1 A 55 55 ARG CB C 55 30.410 30.520 -0.110 1
1 597 . 18 1 1 A 55 55 ARG N N 55 119.619 118.534 1.085 1
1 598 . 18 1 1 A 56 56 ALA H H 56 8.008 7.662 0.346 1
1 599 . 18 1 1 A 56 56 ALA HA H 56 4.196 3.900 0.296 1
1 603 . 18 1 1 A 56 56 ALA C C 56 179.269 177.022 2.247 1
1 604 . 18 1 1 A 56 56 ALA CA C 56 53.930 52.913 1.017 1
1 605 . 18 1 1 A 56 56 ALA CB C 56 18.539 17.218 1.321 1
1 606 . 18 1 1 A 56 56 ALA N N 56 122.850 119.486 3.364 1
1 607 . 18 1 1 A 57 57 LYS H H 57 8.014 7.693 0.321 1
1 608 . 18 1 1 A 57 57 LYS HA H 57 4.225 4.394 -0.169 1
1 617 . 18 1 1 A 57 57 LYS C C 57 177.892 178.042 -0.150 1
1 618 . 18 1 1 A 57 57 LYS CA C 57 57.504 57.885 -0.381 1
1 619 . 18 1 1 A 57 57 LYS CB C 57 32.646 33.959 -1.313 1
1 623 . 18 1 1 A 57 57 LYS N N 57 118.986 116.944 2.042 1
1 624 . 18 1 1 A 58 58 ARG H H 58 8.039 7.939 0.100 1
1 625 . 18 1 1 A 58 58 ARG HA H 58 4.229 4.049 0.180 1
1 632 . 18 1 1 A 58 58 ARG C C 58 177.156 175.614 1.542 1
1 633 . 18 1 1 A 58 58 ARG CA C 58 57.425 59.290 -1.865 1
1 634 . 18 1 1 A 58 58 ARG CB C 58 30.561 29.747 0.814 1
1 637 . 18 1 1 A 58 58 ARG N N 58 120.747 119.796 0.951 1
1 638 . 18 1 1 A 59 59 GLN H H 59 8.195 7.829 0.366 1
1 639 . 18 1 1 A 59 59 GLN HA H 59 4.228 4.801 -0.573 1
1 644 . 18 1 1 A 59 59 GLN CA C 59 57.412 54.318 3.094 1
1 645 . 18 1 1 A 59 59 GLN CB C 59 32.773 30.510 2.263 1
1 647 . 18 1 1 A 59 59 GLN N N 59 121.145 116.472 4.673 1
1 648 . 18 1 1 A 60 60 GLU HA H 60 4.256 4.492 -0.236 1
1 653 . 18 1 1 A 60 60 GLU CA C 60 56.093 58.063 -1.970 1
1 654 . 18 1 1 A 60 60 GLU CB C 60 29.429 30.843 -1.414 1
1 656 . 18 1 1 A 63 63 LYS HA H 63 4.263 4.854 -0.591 1
1 663 . 18 1 1 A 63 63 LYS CA C 63 56.908 55.780 1.128 1
1 664 . 18 1 1 A 63 63 LYS CB C 63 32.778 36.065 -3.287 1
1 665 . 18 1 1 A 64 64 GLN H H 64 8.261 8.886 -0.625 1
1 666 . 18 1 1 A 64 64 GLN HA H 64 4.253 5.075 -0.822 1
1 673 . 18 1 1 A 64 64 GLN C C 64 176.687 174.017 2.670 1
1 674 . 18 1 1 A 64 64 GLN CA C 64 56.780 54.615 2.165 1
1 675 . 18 1 1 A 64 64 GLN CB C 64 29.198 31.047 -1.849 1
1 677 . 18 1 1 A 64 64 GLN N N 64 120.299 124.551 -4.252 1
1 679 . 18 1 1 A 65 65 LEU H H 65 8.190 9.018 -0.828 1
1 680 . 18 1 1 A 65 65 LEU HA H 65 4.306 5.236 -0.930 1
1 690 . 18 1 1 A 65 65 LEU C C 65 177.894 174.420 3.474 1
1 691 . 18 1 1 A 65 65 LEU CA C 65 55.952 53.272 2.680 1
1 692 . 18 1 1 A 65 65 LEU CB C 65 42.313 45.284 -2.971 1
1 696 . 18 1 1 A 65 65 LEU N N 65 122.723 127.310 -4.587 1
1 697 . 18 1 1 A 66 66 LEU H H 66 8.165 9.086 -0.921 1
1 698 . 18 1 1 A 66 66 LEU HA H 66 4.305 4.779 -0.474 1
1 708 . 18 1 1 A 66 66 LEU C C 66 177.867 176.787 1.080 1
1 709 . 18 1 1 A 66 66 LEU CA C 66 55.775 54.077 1.698 1
1 710 . 18 1 1 A 66 66 LEU CB C 66 42.336 42.766 -0.430 1
1 714 . 18 1 1 A 66 66 LEU N N 66 121.812 128.044 -6.232 1
1 715 . 18 1 1 A 67 67 SER H H 67 8.104 8.714 -0.610 1
1 716 . 18 1 1 A 67 67 SER CA C 67 58.896 58.159 0.737 1
1 717 . 18 1 1 A 67 67 SER CB C 67 63.674 63.965 -0.291 1
1 718 . 18 1 1 A 67 67 SER N N 67 115.632 120.641 -5.009 1
1 719 . 18 1 1 A 69 69 GLN HA H 69 4.221 5.084 -0.863 1
1 724 . 18 1 1 A 69 69 GLN CA C 69 57.547 54.876 2.671 1
1 725 . 18 1 1 A 69 69 GLN CB C 69 30.314 30.756 -0.442 1
1 727 . 18 1 1 A 70 70 LYS H H 70 8.255 8.814 -0.559 1
1 728 . 18 1 1 A 70 70 LYS HA H 70 4.220 5.232 -1.012 1
1 737 . 18 1 1 A 70 70 LYS C C 70 176.303 174.239 2.064 1
1 738 . 18 1 1 A 70 70 LYS CA C 70 56.639 55.247 1.392 1
1 739 . 18 1 1 A 70 70 LYS CB C 70 33.080 36.251 -3.171 1
1 743 . 18 1 1 A 70 70 LYS N N 70 121.417 121.937 -0.520 1
1 744 . 18 1 1 A 71 71 TYR H H 71 8.142 8.719 -0.577 1
1 745 . 18 1 1 A 71 71 TYR HA H 71 4.571 5.346 -0.775 1
1 752 . 18 1 1 A 71 71 TYR C C 71 175.736 173.016 2.720 1
1 753 . 18 1 1 A 71 71 TYR CA C 71 57.768 56.484 1.284 1
1 754 . 18 1 1 A 71 71 TYR CB C 71 38.894 41.587 -2.693 1
1 759 . 18 1 1 A 71 71 TYR N N 71 120.561 117.698 2.863 1
1 760 . 18 1 1 A 72 72 ALA H H 72 8.237 8.718 -0.481 1
1 761 . 18 1 1 A 72 72 ALA HA H 72 4.292 5.064 -0.772 1
1 765 . 18 1 1 A 72 72 ALA C C 72 177.276 175.196 2.080 1
1 766 . 18 1 1 A 72 72 ALA CA C 72 52.642 51.094 1.548 1
1 767 . 18 1 1 A 72 72 ALA CB C 72 19.405 23.956 -4.551 1
1 768 . 18 1 1 A 72 72 ALA N N 72 125.192 122.143 3.049 1
1 769 . 18 1 1 A 73 73 ASP H H 73 8.220 8.909 -0.689 1
1 770 . 18 1 1 A 73 73 ASP HA H 73 4.549 5.122 -0.573 1
1 773 . 18 1 1 A 73 73 ASP C C 73 176.922 174.896 2.026 1
1 774 . 18 1 1 A 73 73 ASP CA C 73 54.682 53.154 1.528 1
1 775 . 18 1 1 A 73 73 ASP CB C 73 41.239 45.301 -4.062 1
1 776 . 18 1 1 A 73 73 ASP N N 73 119.269 117.291 1.978 1
1 777 . 18 1 1 A 74 74 GLY H H 74 8.269 8.300 -0.031 1
1 778 . 18 1 1 A 74 74 GLY HA2 H 74 3.963 4.248 -0.285 1
1 779 . 18 1 1 A 74 74 GLY HA3 H 74 3.879 4.294 -0.415 1
1 780 . 18 1 1 A 74 74 GLY C C 74 174.132 172.907 1.225 1
1 781 . 18 1 1 A 74 74 GLY CA C 74 45.551 44.797 0.754 1
1 782 . 18 1 1 A 74 74 GLY N N 74 109.209 107.097 2.112 1
1 783 . 18 1 1 A 75 75 ALA H H 75 8.048 8.195 -0.147 1
1 784 . 18 1 1 A 75 75 ALA HA H 75 4.221 4.728 -0.507 1
1 788 . 18 1 1 A 75 75 ALA C C 75 177.507 174.950 2.557 1
1 789 . 18 1 1 A 75 75 ALA CA C 75 52.638 51.001 1.637 1
1 790 . 18 1 1 A 75 75 ALA CB C 75 19.281 23.602 -4.321 1
1 791 . 18 1 1 A 75 75 ALA N N 75 123.382 121.332 2.050 1
1 792 . 18 1 1 A 76 76 PHE H H 76 8.126 8.441 -0.315 1
1 793 . 18 1 1 A 76 76 PHE HA H 76 4.541 5.318 -0.777 1
1 798 . 18 1 1 A 76 76 PHE C C 76 175.620 174.463 1.157 1
1 799 . 18 1 1 A 76 76 PHE CA C 76 57.733 56.314 1.419 1
1 800 . 18 1 1 A 76 76 PHE CB C 76 39.429 44.044 -4.615 1
1 801 . 18 1 1 A 76 76 PHE N N 76 118.540 115.265 3.275 1
1 802 . 18 1 1 A 77 77 ALA H H 77 8.017 8.745 -0.728 1
1 803 . 18 1 1 A 77 77 ALA HA H 77 4.207 5.287 -1.080 1
1 807 . 18 1 1 A 77 77 ALA C C 77 176.990 175.266 1.724 1
1 808 . 18 1 1 A 77 77 ALA CA C 77 52.602 51.381 1.221 1
1 809 . 18 1 1 A 77 77 ALA CB C 77 19.528 23.992 -4.464 1
1 810 . 18 1 1 A 77 77 ALA N N 77 124.826 121.919 2.907 1
1 811 . 18 1 1 A 78 78 ASP H H 78 8.061 8.931 -0.870 1
1 812 . 18 1 1 A 78 78 ASP HA H 78 4.538 5.431 -0.893 1
1 815 . 18 1 1 A 78 78 ASP C C 78 175.908 174.247 1.661 1
1 816 . 18 1 1 A 78 78 ASP CA C 78 54.189 53.295 0.894 1
1 817 . 18 1 1 A 78 78 ASP CB C 78 41.242 44.567 -3.325 1
1 818 . 18 1 1 A 78 78 ASP N N 78 119.019 116.441 2.578 1
1 819 . 18 1 1 A 79 79 PHE H H 79 8.023 8.867 -0.844 1
1 820 . 18 1 1 A 79 79 PHE HA H 79 4.586 4.892 -0.306 1
1 825 . 18 1 1 A 79 79 PHE C C 79 175.551 175.278 0.273 1
1 826 . 18 1 1 A 79 79 PHE CA C 79 57.891 58.212 -0.321 1
1 827 . 18 1 1 A 79 79 PHE CB C 79 39.484 41.748 -2.264 1
1 828 . 18 1 1 A 79 79 PHE N N 79 120.449 120.841 -0.392 1
1 829 . 18 1 1 A 80 80 LYS H H 80 8.161 8.284 -0.123 1
1 830 . 18 1 1 A 80 80 LYS HA H 80 4.251 4.525 -0.274 1
1 836 . 18 1 1 A 80 80 LYS C C 80 176.027 176.661 -0.634 1
1 837 . 18 1 1 A 80 80 LYS CA C 80 56.233 56.542 -0.309 1
1 838 . 18 1 1 A 80 80 LYS CB C 80 33.084 34.511 -1.427 1
1 842 . 18 1 1 A 80 80 LYS N N 80 123.309 122.615 0.694 1
1 843 . 18 1 1 A 81 81 GLN H H 81 8.329 7.289 1.040 1
1 844 . 18 1 1 A 81 81 GLN HA H 81 4.284 4.163 0.121 1
1 851 . 18 1 1 A 81 81 GLN C C 81 176.009 175.432 0.577 1
1 852 . 18 1 1 A 81 81 GLN CA C 81 55.952 56.709 -0.757 1
1 853 . 18 1 1 A 81 81 GLN CB C 81 29.623 29.237 0.386 1
1 855 . 18 1 1 A 81 81 GLN N N 81 121.944 120.059 1.885 1
1 857 . 18 1 1 A 82 82 GLU H H 82 8.542 8.596 -0.054 1
1 858 . 18 1 1 A 82 82 GLU HA H 82 4.350 5.201 -0.851 1
1 862 . 18 1 1 A 82 82 GLU C C 82 176.509 174.711 1.798 1
1 863 . 18 1 1 A 82 82 GLU CA C 82 56.675 54.742 1.933 1
1 864 . 18 1 1 A 82 82 GLU CB C 82 30.447 34.420 -3.973 1
1 866 . 18 1 1 A 82 82 GLU N N 82 122.687 120.909 1.778 1
1 867 . 18 1 1 A 83 83 SER H H 83 8.418 8.968 -0.550 1
1 868 . 18 1 1 A 83 83 SER HA H 83 4.516 5.325 -0.809 1
1 871 . 18 1 1 A 83 83 SER C C 83 174.538 172.831 1.707 1
1 872 . 18 1 1 A 83 83 SER CA C 83 58.403 56.179 2.224 1
1 873 . 18 1 1 A 83 83 SER CB C 83 64.018 67.109 -3.091 1
1 874 . 18 1 1 A 83 83 SER N N 83 116.897 116.633 0.264 1
1 875 . 18 1 1 A 84 84 GLY H H 84 8.276 8.393 -0.117 1
1 876 . 18 1 1 A 84 84 GLY C C 84 171.814 172.172 -0.358 1
1 877 . 18 1 1 A 84 84 GLY CA C 84 44.722 44.974 -0.252 1
1 878 . 18 1 1 A 84 84 GLY N N 84 110.673 110.316 0.357 1
1 879 . 18 1 1 A 85 85 PRO HA H 85 4.497 4.632 -0.135 1
1 885 . 18 1 1 A 85 85 PRO C C 85 177.204 175.237 1.967 1
1 886 . 18 1 1 A 85 85 PRO CA C 85 63.290 62.485 0.805 1
1 887 . 18 1 1 A 85 85 PRO CB C 85 32.228 33.184 -0.956 1
1 890 . 18 1 1 A 86 86 SER H H 86 8.331 8.518 -0.187 1
1 891 . 18 1 1 A 86 86 SER HA H 86 4.339 4.976 -0.637 1
1 892 . 18 1 1 A 86 86 SER C C 86 174.935 172.542 2.393 1
1 893 . 18 1 1 A 86 86 SER CA C 86 61.769 57.459 4.310 1
1 894 . 18 1 1 A 86 86 SER CB C 86 69.836 68.099 1.737 1
1 895 . 18 1 1 A 86 86 SER N N 86 114.681 114.667 0.014 1
1 896 . 18 1 1 A 87 87 SER H H 87 8.121 8.760 -0.639 1
1 897 . 18 1 1 A 87 87 SER CA C 87 61.963 57.548 4.415 1
1 898 . 18 1 1 A 87 87 SER CB C 87 69.818 65.347 4.471 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.975 4.181 -0.206 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.975 4.181 -0.206 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.115 172.258 1.857 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.392 46.060 -0.668 1
1 5 . 19 1 1 A 8 8 LEU H H 8 8.037 8.672 -0.635 1
1 6 . 19 1 1 A 8 8 LEU HA H 8 4.347 4.895 -0.548 1
1 16 . 19 1 1 A 8 8 LEU C C 8 177.426 174.640 2.786 1
1 17 . 19 1 1 A 8 8 LEU CA C 8 55.352 54.575 0.777 1
1 18 . 19 1 1 A 8 8 LEU CB C 8 42.478 45.465 -2.987 1
1 22 . 19 1 1 A 8 8 LEU N N 8 121.686 124.224 -2.538 1
1 23 . 19 1 1 A 9 9 LYS H H 9 8.309 8.628 -0.319 1
1 24 . 19 1 1 A 9 9 LYS HA H 9 4.319 4.839 -0.520 1
1 29 . 19 1 1 A 9 9 LYS CA C 9 56.195 56.148 0.047 1
1 30 . 19 1 1 A 9 9 LYS CB C 9 32.820 36.454 -3.634 1
1 34 . 19 1 1 A 9 9 LYS N N 9 122.335 125.169 -2.834 1
1 35 . 19 1 1 A 10 10 ARG HA H 10 4.306 5.230 -0.924 1
1 42 . 19 1 1 A 10 10 ARG C C 10 175.845 174.072 1.773 1
1 43 . 19 1 1 A 10 10 ARG CA C 10 56.146 54.423 1.723 1
1 44 . 19 1 1 A 10 10 ARG CB C 10 31.005 34.590 -3.585 1
1 47 . 19 1 1 A 11 11 ASP H H 11 8.293 8.780 -0.487 1
1 48 . 19 1 1 A 11 11 ASP HA H 11 4.582 5.394 -0.812 1
1 51 . 19 1 1 A 11 11 ASP C C 11 175.382 174.395 0.987 1
1 52 . 19 1 1 A 11 11 ASP CA C 11 54.612 53.182 1.430 1
1 53 . 19 1 1 A 11 11 ASP CB C 11 41.572 44.096 -2.524 1
1 54 . 19 1 1 A 11 11 ASP N N 11 120.563 117.384 3.179 1
1 55 . 19 1 1 A 12 12 PHE H H 12 7.961 8.965 -1.004 1
1 56 . 19 1 1 A 12 12 PHE HA H 12 4.758 5.635 -0.877 1
1 63 . 19 1 1 A 12 12 PHE C C 12 175.068 173.047 2.021 1
1 64 . 19 1 1 A 12 12 PHE CA C 12 58.990 55.591 3.399 1
1 65 . 19 1 1 A 12 12 PHE CB C 12 40.037 42.335 -2.298 1
1 70 . 19 1 1 A 12 12 PHE N N 12 118.808 115.984 2.824 1
1 71 . 19 1 1 A 13 13 ILE H H 13 8.167 8.745 -0.578 1
1 72 . 19 1 1 A 13 13 ILE HA H 13 4.167 4.588 -0.421 1
1 82 . 19 1 1 A 13 13 ILE C C 13 175.712 174.821 0.891 1
1 83 . 19 1 1 A 13 13 ILE CA C 13 60.976 59.662 1.314 1
1 84 . 19 1 1 A 13 13 ILE CB C 13 39.277 42.226 -2.949 1
1 88 . 19 1 1 A 13 13 ILE N N 13 122.190 119.165 3.025 1
1 89 . 19 1 1 A 14 14 ILE H H 14 8.287 8.841 -0.554 1
1 90 . 19 1 1 A 14 14 ILE HA H 14 4.163 4.861 -0.698 1
1 100 . 19 1 1 A 14 14 ILE C C 14 176.116 175.213 0.903 1
1 101 . 19 1 1 A 14 14 ILE CA C 14 61.142 59.772 1.370 1
1 102 . 19 1 1 A 14 14 ILE CB C 14 38.438 40.191 -1.753 1
1 106 . 19 1 1 A 14 14 ILE N N 14 125.550 127.002 -1.452 1
1 107 . 19 1 1 A 15 15 LEU H H 15 8.398 9.038 -0.640 1
1 108 . 19 1 1 A 15 15 LEU HA H 15 4.397 5.030 -0.633 1
1 118 . 19 1 1 A 15 15 LEU C C 15 177.749 176.516 1.233 1
1 119 . 19 1 1 A 15 15 LEU CA C 15 55.123 53.775 1.348 1
1 120 . 19 1 1 A 15 15 LEU CB C 15 42.560 43.996 -1.436 1
1 124 . 19 1 1 A 15 15 LEU N N 15 127.408 127.502 -0.094 1
1 125 . 19 1 1 A 16 16 GLY H H 16 8.347 8.337 0.010 1
1 126 . 19 1 1 A 16 16 GLY HA2 H 16 3.964 4.294 -0.330 1
1 127 . 19 1 1 A 16 16 GLY HA3 H 16 3.964 4.297 -0.333 1
1 128 . 19 1 1 A 16 16 GLY C C 16 172.979 172.386 0.593 1
1 129 . 19 1 1 A 16 16 GLY CA C 16 45.286 45.974 -0.688 1
1 130 . 19 1 1 A 16 16 GLY N N 16 109.546 108.621 0.925 1
1 131 . 19 1 1 A 17 17 ASN H H 17 7.974 8.747 -0.773 1
1 132 . 19 1 1 A 17 17 ASN HA H 17 4.577 5.474 -0.897 1
1 137 . 19 1 1 A 17 17 ASN C C 17 175.869 174.565 1.304 1
1 138 . 19 1 1 A 17 17 ASN CA C 17 54.665 51.314 3.351 1
1 139 . 19 1 1 A 17 17 ASN CB C 17 40.830 42.204 -1.374 1
1 140 . 19 1 1 A 17 17 ASN N N 17 124.057 118.833 5.224 1
1 142 . 19 1 1 A 18 18 GLY H H 18 8.150 8.565 -0.415 1
1 143 . 19 1 1 A 18 18 GLY HA2 H 18 4.073 4.056 0.017 1
1 144 . 19 1 1 A 18 18 GLY HA3 H 18 4.073 4.057 0.016 1
1 145 . 19 1 1 A 18 18 GLY C C 18 172.372 173.691 -1.319 1
1 146 . 19 1 1 A 18 18 GLY CA C 18 44.898 44.757 0.141 1
1 147 . 19 1 1 A 18 18 GLY N N 18 113.988 108.922 5.066 1
1 148 . 19 1 1 A 19 19 PRO HA H 19 4.441 4.614 -0.173 1
1 155 . 19 1 1 A 19 19 PRO C C 19 177.039 176.480 0.559 1
1 156 . 19 1 1 A 19 19 PRO CA C 19 63.268 62.860 0.408 1
1 157 . 19 1 1 A 19 19 PRO CB C 19 32.159 31.704 0.455 1
1 160 . 19 1 1 A 20 20 ARG H H 20 8.414 8.637 -0.223 1
1 161 . 19 1 1 A 20 20 ARG HA H 20 4.339 4.727 -0.388 1
1 167 . 19 1 1 A 20 20 ARG C C 20 176.312 175.970 0.342 1
1 168 . 19 1 1 A 20 20 ARG CA C 20 56.111 55.047 1.064 1
1 169 . 19 1 1 A 20 20 ARG CB C 20 30.612 31.504 -0.892 1
1 172 . 19 1 1 A 20 20 ARG N N 20 120.839 123.581 -2.742 1
1 173 . 19 1 1 A 21 21 LEU H H 21 8.306 8.470 -0.164 1
1 174 . 19 1 1 A 21 21 LEU HA H 21 4.405 4.833 -0.428 1
1 183 . 19 1 1 A 21 21 LEU C C 21 177.403 175.342 2.061 1
1 184 . 19 1 1 A 21 21 LEU CA C 21 55.141 53.796 1.345 1
1 185 . 19 1 1 A 21 21 LEU CB C 21 42.190 42.576 -0.386 1
1 189 . 19 1 1 A 21 21 LEU N N 21 123.561 122.732 0.829 1
1 190 . 19 1 1 A 22 22 GLN H H 22 8.406 8.879 -0.473 1
1 191 . 19 1 1 A 22 22 GLN HA H 22 4.336 4.902 -0.566 1
1 198 . 19 1 1 A 22 22 GLN C C 22 175.699 174.610 1.089 1
1 199 . 19 1 1 A 22 22 GLN CA C 22 56.181 54.654 1.527 1
1 200 . 19 1 1 A 22 22 GLN CB C 22 29.492 30.659 -1.167 1
1 202 . 19 1 1 A 22 22 GLN N N 22 120.835 125.143 -4.308 1
1 204 . 19 1 1 A 24 24 SER HA H 24 4.451 4.426 0.025 1
1 207 . 19 1 1 A 24 24 SER C C 24 173.514 174.585 -1.071 1
1 208 . 19 1 1 A 24 24 SER CA C 24 58.579 60.091 -1.512 1
1 209 . 19 1 1 A 24 24 SER CB C 24 63.967 63.426 0.541 1
1 210 . 19 1 1 A 25 25 THR H H 25 7.806 8.765 -0.959 1
1 211 . 19 1 1 A 25 25 THR HA H 25 4.348 5.445 -1.097 1
1 216 . 19 1 1 A 25 25 THR C C 25 173.359 173.257 0.102 1
1 217 . 19 1 1 A 25 25 THR CA C 25 61.593 59.323 2.270 1
1 218 . 19 1 1 A 25 25 THR CB C 25 70.716 71.789 -1.073 1
1 220 . 19 1 1 A 25 25 THR N N 25 114.185 116.360 -2.175 1
1 221 . 19 1 1 A 26 26 TYR H H 26 8.598 9.767 -1.169 1
1 222 . 19 1 1 A 26 26 TYR HA H 26 4.670 4.688 -0.018 1
1 229 . 19 1 1 A 26 26 TYR C C 26 174.444 175.243 -0.799 1
1 230 . 19 1 1 A 26 26 TYR CA C 26 56.798 58.673 -1.875 1
1 231 . 19 1 1 A 26 26 TYR CB C 26 39.717 38.609 1.108 1
1 236 . 19 1 1 A 26 26 TYR N N 26 121.326 124.043 -2.717 1
1 237 . 19 1 1 A 27 27 GLN H H 27 8.528 8.693 -0.165 1
1 238 . 19 1 1 A 27 27 GLN HA H 27 4.670 4.926 -0.256 1
1 245 . 19 1 1 A 27 27 GLN C C 27 175.055 175.116 -0.061 1
1 246 . 19 1 1 A 27 27 GLN CA C 27 54.718 54.490 0.228 1
1 247 . 19 1 1 A 27 27 GLN CB C 27 30.938 28.722 2.216 1
1 249 . 19 1 1 A 27 27 GLN N N 27 123.045 125.303 -2.258 1
1 251 . 19 1 1 A 28 28 CYS H H 28 8.682 8.494 0.188 1
1 252 . 19 1 1 A 28 28 CYS HA H 28 4.331 4.346 -0.015 1
1 255 . 19 1 1 A 28 28 CYS C C 28 176.610 176.315 0.295 1
1 256 . 19 1 1 A 28 28 CYS CA C 28 60.394 60.274 0.120 1
1 257 . 19 1 1 A 28 28 CYS CB C 28 29.850 28.140 1.710 1
1 258 . 19 1 1 A 28 28 CYS N N 28 129.276 126.138 3.138 1
1 259 . 19 1 1 A 29 29 LYS H H 29 8.454 8.644 -0.190 1
1 260 . 19 1 1 A 29 29 LYS HA H 29 4.257 4.634 -0.377 1
1 269 . 19 1 1 A 29 29 LYS C C 29 176.581 176.073 0.508 1
1 270 . 19 1 1 A 29 29 LYS CA C 29 57.584 56.543 1.041 1
1 271 . 19 1 1 A 29 29 LYS CB C 29 32.145 32.749 -0.604 1
1 275 . 19 1 1 A 29 29 LYS N N 29 127.445 123.235 4.210 1
1 276 . 19 1 1 A 30 30 HIS H H 30 9.625 8.097 1.528 1
1 277 . 19 1 1 A 30 30 HIS HA H 30 4.608 4.649 -0.041 1
1 281 . 19 1 1 A 30 30 HIS C C 30 175.524 176.447 -0.923 1
1 282 . 19 1 1 A 30 30 HIS CA C 30 56.956 56.979 -0.023 1
1 283 . 19 1 1 A 30 30 HIS CB C 30 30.732 31.613 -0.881 1
1 285 . 19 1 1 A 30 30 HIS N N 30 121.657 116.551 5.106 1
1 286 . 19 1 1 A 31 31 CYS H H 31 8.086 8.073 0.013 1
1 287 . 19 1 1 A 31 31 CYS HA H 31 5.078 4.588 0.490 1
1 290 . 19 1 1 A 31 31 CYS C C 31 173.769 174.504 -0.735 1
1 291 . 19 1 1 A 31 31 CYS CA C 31 58.349 58.279 0.070 1
1 292 . 19 1 1 A 31 31 CYS CB C 31 31.268 29.744 1.524 1
1 293 . 19 1 1 A 31 31 CYS N N 31 118.457 113.830 4.627 1
1 294 . 19 1 1 A 32 32 ASP H H 32 8.135 8.189 -0.054 1
1 295 . 19 1 1 A 32 32 ASP HA H 32 4.637 4.520 0.117 1
1 298 . 19 1 1 A 32 32 ASP C C 32 176.540 174.824 1.716 1
1 299 . 19 1 1 A 32 32 ASP CA C 32 55.687 55.523 0.164 1
1 300 . 19 1 1 A 32 32 ASP CB C 32 40.418 39.096 1.322 1
1 301 . 19 1 1 A 32 32 ASP N N 32 116.820 117.874 -1.054 1
1 302 . 19 1 1 A 33 33 SER H H 33 8.667 7.852 0.815 1
1 303 . 19 1 1 A 33 33 SER HA H 33 4.267 4.608 -0.341 1
1 306 . 19 1 1 A 33 33 SER C C 33 172.462 173.370 -0.908 1
1 307 . 19 1 1 A 33 33 SER CA C 33 61.452 56.861 4.591 1
1 308 . 19 1 1 A 33 33 SER CB C 33 63.893 65.046 -1.153 1
1 309 . 19 1 1 A 33 33 SER N N 33 119.488 112.154 7.334 1
1 310 . 19 1 1 A 34 34 LYS H H 34 8.389 8.381 0.008 1
1 311 . 19 1 1 A 34 34 LYS HA H 34 4.747 5.245 -0.498 1
1 320 . 19 1 1 A 34 34 LYS C C 34 175.517 175.242 0.275 1
1 321 . 19 1 1 A 34 34 LYS CA C 34 55.476 54.909 0.567 1
1 322 . 19 1 1 A 34 34 LYS CB C 34 33.526 34.578 -1.052 1
1 326 . 19 1 1 A 34 34 LYS N N 34 122.954 121.259 1.695 1
1 327 . 19 1 1 A 35 35 LEU H H 35 8.825 9.037 -0.212 1
1 328 . 19 1 1 A 35 35 LEU HA H 35 4.847 4.815 0.032 1
1 338 . 19 1 1 A 35 35 LEU C C 35 177.476 177.702 -0.226 1
1 339 . 19 1 1 A 35 35 LEU CA C 35 52.673 53.146 -0.473 1
1 340 . 19 1 1 A 35 35 LEU CB C 35 42.115 43.875 -1.760 1
1 344 . 19 1 1 A 35 35 LEU N N 35 126.489 125.385 1.104 1
1 345 . 19 1 1 A 36 36 GLN H H 36 8.883 8.618 0.265 1
1 346 . 19 1 1 A 36 36 GLN HA H 36 4.565 4.276 0.289 1
1 353 . 19 1 1 A 36 36 GLN C C 36 175.227 176.239 -1.012 1
1 354 . 19 1 1 A 36 36 GLN CA C 36 56.763 58.060 -1.297 1
1 355 . 19 1 1 A 36 36 GLN CB C 36 30.225 29.520 0.705 1
1 357 . 19 1 1 A 36 36 GLN N N 36 116.410 121.226 -4.816 1
1 359 . 19 1 1 A 37 37 SER H H 37 7.345 7.934 -0.589 1
1 360 . 19 1 1 A 37 37 SER HA H 37 4.569 4.462 0.107 1
1 363 . 19 1 1 A 37 37 SER C C 37 179.414 174.096 5.318 1
1 364 . 19 1 1 A 37 37 SER CA C 37 56.780 55.806 0.974 1
1 365 . 19 1 1 A 37 37 SER CB C 37 66.444 66.136 0.308 1
1 366 . 19 1 1 A 37 37 SER N N 37 110.125 112.395 -2.270 1
1 367 . 19 1 1 A 38 38 THR H H 38 8.099 8.580 -0.481 1
1 368 . 19 1 1 A 38 38 THR HA H 38 3.627 3.522 0.105 1
1 373 . 19 1 1 A 38 38 THR CA C 38 65.831 66.127 -0.296 1
1 374 . 19 1 1 A 38 38 THR CB C 38 68.118 68.686 -0.568 1
1 376 . 19 1 1 A 38 38 THR N N 38 121.696 116.373 5.323 1
1 377 . 19 1 1 A 39 39 ALA HA H 39 4.155 3.981 0.174 1
1 381 . 19 1 1 A 39 39 ALA C C 39 180.623 179.313 1.310 1
1 382 . 19 1 1 A 39 39 ALA CA C 39 55.406 55.174 0.232 1
1 383 . 19 1 1 A 39 39 ALA CB C 39 18.098 18.421 -0.323 1
1 384 . 19 1 1 A 40 40 GLU H H 40 7.881 7.689 0.192 1
1 385 . 19 1 1 A 40 40 GLU HA H 40 4.114 4.123 -0.009 1
1 390 . 19 1 1 A 40 40 GLU C C 40 179.352 178.891 0.461 1
1 391 . 19 1 1 A 40 40 GLU CA C 40 58.914 59.096 -0.182 1
1 392 . 19 1 1 A 40 40 GLU CB C 40 30.822 29.869 0.953 1
1 394 . 19 1 1 A 40 40 GLU N N 40 118.475 117.849 0.626 1
1 395 . 19 1 1 A 41 41 LEU H H 41 8.096 7.708 0.388 1
1 396 . 19 1 1 A 41 41 LEU HA H 41 4.115 4.042 0.073 1
1 406 . 19 1 1 A 41 41 LEU C C 41 177.620 178.684 -1.064 1
1 407 . 19 1 1 A 41 41 LEU CA C 41 58.841 57.684 1.157 1
1 408 . 19 1 1 A 41 41 LEU CB C 41 41.442 41.664 -0.222 1
1 412 . 19 1 1 A 41 41 LEU N N 41 121.715 122.282 -0.567 1
1 413 . 19 1 1 A 42 42 THR H H 42 8.599 8.279 0.320 1
1 414 . 19 1 1 A 42 42 THR HA H 42 3.860 3.957 -0.097 1
1 419 . 19 1 1 A 42 42 THR C C 42 176.761 176.203 0.558 1
1 420 . 19 1 1 A 42 42 THR CA C 42 67.345 66.032 1.313 1
1 421 . 19 1 1 A 42 42 THR CB C 42 68.758 68.396 0.362 1
1 423 . 19 1 1 A 42 42 THR N N 42 115.801 115.581 0.220 1
1 424 . 19 1 1 A 43 43 SER H H 43 7.833 8.057 -0.224 1
1 425 . 19 1 1 A 43 43 SER HA H 43 4.251 4.243 0.008 1
1 428 . 19 1 1 A 43 43 SER C C 43 176.836 175.935 0.901 1
1 429 . 19 1 1 A 43 43 SER CA C 43 61.646 61.898 -0.252 1
1 430 . 19 1 1 A 43 43 SER CB C 43 62.750 63.606 -0.856 1
1 431 . 19 1 1 A 43 43 SER N N 43 115.657 117.544 -1.887 1
1 432 . 19 1 1 A 44 44 HIS H H 44 8.415 8.271 0.144 1
1 433 . 19 1 1 A 44 44 HIS HA H 44 4.182 4.137 0.045 1
1 438 . 19 1 1 A 44 44 HIS C C 44 177.125 176.911 0.214 1
1 439 . 19 1 1 A 44 44 HIS CA C 44 60.094 60.180 -0.086 1
1 440 . 19 1 1 A 44 44 HIS CB C 44 28.846 30.030 -1.184 1
1 443 . 19 1 1 A 44 44 HIS N N 44 122.271 122.157 0.114 1
1 444 . 19 1 1 A 45 45 LEU H H 45 8.854 8.803 0.051 1
1 445 . 19 1 1 A 45 45 LEU HA H 45 4.100 3.664 0.436 1
1 455 . 19 1 1 A 45 45 LEU C C 45 179.448 178.738 0.710 1
1 456 . 19 1 1 A 45 45 LEU CA C 45 58.297 58.187 0.110 1
1 457 . 19 1 1 A 45 45 LEU CB C 45 41.666 41.083 0.583 1
1 461 . 19 1 1 A 45 45 LEU N N 45 118.289 119.708 -1.419 1
1 462 . 19 1 1 A 46 46 ASN H H 46 7.730 8.309 -0.579 1
1 463 . 19 1 1 A 46 46 ASN HA H 46 4.502 4.792 -0.290 1
1 468 . 19 1 1 A 46 46 ASN C C 46 177.759 178.006 -0.247 1
1 469 . 19 1 1 A 46 46 ASN CA C 46 56.163 56.406 -0.243 1
1 470 . 19 1 1 A 46 46 ASN CB C 46 38.069 37.833 0.236 1
1 471 . 19 1 1 A 46 46 ASN N N 46 117.155 116.691 0.464 1
1 473 . 19 1 1 A 47 47 ILE H H 47 7.670 7.955 -0.285 1
1 474 . 19 1 1 A 47 47 ILE HA H 47 3.787 3.549 0.238 1
1 484 . 19 1 1 A 47 47 ILE C C 47 178.447 178.201 0.246 1
1 485 . 19 1 1 A 47 47 ILE CA C 47 64.273 65.238 -0.965 1
1 486 . 19 1 1 A 47 47 ILE CB C 47 37.214 37.875 -0.661 1
1 490 . 19 1 1 A 47 47 ILE N N 47 119.392 119.868 -0.476 1
1 491 . 19 1 1 A 48 48 HIS H H 48 6.999 8.013 -1.014 1
1 492 . 19 1 1 A 48 48 HIS HA H 48 4.437 4.249 0.188 1
1 497 . 19 1 1 A 48 48 HIS C C 48 175.932 177.890 -1.958 1
1 498 . 19 1 1 A 48 48 HIS CA C 48 56.855 59.866 -3.011 1
1 499 . 19 1 1 A 48 48 HIS CB C 48 27.971 29.808 -1.837 1
1 502 . 19 1 1 A 48 48 HIS N N 48 116.931 119.237 -2.306 1
1 503 . 19 1 1 A 49 49 ASN H H 49 8.059 7.923 0.136 1
1 504 . 19 1 1 A 49 49 ASN HA H 49 4.555 4.286 0.269 1
1 509 . 19 1 1 A 49 49 ASN C C 49 177.139 178.365 -1.226 1
1 510 . 19 1 1 A 49 49 ASN CA C 49 55.552 56.446 -0.894 1
1 511 . 19 1 1 A 49 49 ASN CB C 49 38.495 37.693 0.802 1
1 512 . 19 1 1 A 49 49 ASN N N 49 118.208 116.882 1.326 1
1 514 . 19 1 1 A 50 50 GLU H H 50 8.336 8.295 0.041 1
1 515 . 19 1 1 A 50 50 GLU HA H 50 4.090 4.026 0.064 1
1 520 . 19 1 1 A 50 50 GLU C C 50 178.637 179.648 -1.011 1
1 521 . 19 1 1 A 50 50 GLU CA C 50 59.246 59.670 -0.424 1
1 522 . 19 1 1 A 50 50 GLU CB C 50 29.582 29.490 0.092 1
1 524 . 19 1 1 A 50 50 GLU N N 50 121.316 119.688 1.628 1
1 525 . 19 1 1 A 51 51 GLU H H 51 7.932 7.907 0.025 1
1 526 . 19 1 1 A 51 51 GLU HA H 51 4.093 4.088 0.005 1
1 531 . 19 1 1 A 51 51 GLU C C 51 179.088 179.026 0.062 1
1 532 . 19 1 1 A 51 51 GLU CA C 51 59.037 59.237 -0.200 1
1 533 . 19 1 1 A 51 51 GLU CB C 51 29.183 29.535 -0.352 1
1 535 . 19 1 1 A 51 51 GLU N N 51 120.058 120.253 -0.195 1
1 536 . 19 1 1 A 52 52 PHE H H 52 8.345 8.620 -0.275 1
1 537 . 19 1 1 A 52 52 PHE HA H 52 4.411 4.122 0.289 1
1 545 . 19 1 1 A 52 52 PHE C C 52 178.654 177.272 1.382 1
1 546 . 19 1 1 A 52 52 PHE CA C 52 59.523 61.792 -2.269 1
1 547 . 19 1 1 A 52 52 PHE CB C 52 38.261 39.272 -1.011 1
1 553 . 19 1 1 A 52 52 PHE N N 52 119.698 121.402 -1.704 1
1 554 . 19 1 1 A 53 53 GLN H H 53 8.197 7.901 0.296 1
1 555 . 19 1 1 A 53 53 GLN HA H 53 4.153 3.637 0.516 1
1 562 . 19 1 1 A 53 53 GLN C C 53 178.059 178.523 -0.464 1
1 563 . 19 1 1 A 53 53 GLN CA C 53 58.120 59.173 -1.053 1
1 564 . 19 1 1 A 53 53 GLN CB C 53 28.591 28.059 0.532 1
1 566 . 19 1 1 A 53 53 GLN N N 53 118.967 117.486 1.481 1
1 568 . 19 1 1 A 54 54 LYS H H 54 8.008 7.843 0.165 1
1 569 . 19 1 1 A 54 54 LYS HA H 54 4.118 3.977 0.141 1
1 577 . 19 1 1 A 54 54 LYS C C 54 178.686 178.819 -0.133 1
1 578 . 19 1 1 A 54 54 LYS CA C 54 59.002 59.858 -0.856 1
1 579 . 19 1 1 A 54 54 LYS CB C 54 32.608 32.211 0.397 1
1 583 . 19 1 1 A 54 54 LYS N N 54 119.791 119.592 0.199 1
1 584 . 19 1 1 A 55 55 ARG H H 55 7.978 7.962 0.016 1
1 585 . 19 1 1 A 55 55 ARG HA H 55 4.136 3.984 0.152 1
1 592 . 19 1 1 A 55 55 ARG C C 55 177.610 177.655 -0.045 1
1 593 . 19 1 1 A 55 55 ARG CA C 55 58.183 59.227 -1.044 1
1 594 . 19 1 1 A 55 55 ARG CB C 55 30.410 29.844 0.566 1
1 597 . 19 1 1 A 55 55 ARG N N 55 119.619 120.002 -0.383 1
1 598 . 19 1 1 A 56 56 ALA H H 56 8.008 7.315 0.693 1
1 599 . 19 1 1 A 56 56 ALA HA H 56 4.196 4.219 -0.023 1
1 603 . 19 1 1 A 56 56 ALA C C 56 179.269 175.940 3.329 1
1 604 . 19 1 1 A 56 56 ALA CA C 56 53.930 51.158 2.772 1
1 605 . 19 1 1 A 56 56 ALA CB C 56 18.539 17.115 1.424 1
1 606 . 19 1 1 A 56 56 ALA N N 56 122.850 119.620 3.230 1
1 607 . 19 1 1 A 57 57 LYS H H 57 8.014 7.885 0.129 1
1 608 . 19 1 1 A 57 57 LYS HA H 57 4.225 4.615 -0.390 1
1 617 . 19 1 1 A 57 57 LYS C C 57 177.892 175.133 2.759 1
1 618 . 19 1 1 A 57 57 LYS CA C 57 57.504 54.348 3.156 1
1 619 . 19 1 1 A 57 57 LYS CB C 57 32.646 34.918 -2.272 1
1 623 . 19 1 1 A 57 57 LYS N N 57 118.986 119.008 -0.022 1
1 624 . 19 1 1 A 58 58 ARG H H 58 8.039 8.456 -0.417 1
1 625 . 19 1 1 A 58 58 ARG HA H 58 4.229 4.398 -0.169 1
1 632 . 19 1 1 A 58 58 ARG C C 58 177.156 176.040 1.116 1
1 633 . 19 1 1 A 58 58 ARG CA C 58 57.425 55.599 1.826 1
1 634 . 19 1 1 A 58 58 ARG CB C 58 30.561 31.049 -0.488 1
1 637 . 19 1 1 A 58 58 ARG N N 58 120.747 121.471 -0.724 1
1 638 . 19 1 1 A 59 59 GLN H H 59 8.195 8.648 -0.453 1
1 639 . 19 1 1 A 59 59 GLN HA H 59 4.228 3.979 0.249 1
1 644 . 19 1 1 A 59 59 GLN CA C 59 57.412 56.634 0.778 1
1 645 . 19 1 1 A 59 59 GLN CB C 59 32.773 29.352 3.421 1
1 647 . 19 1 1 A 59 59 GLN N N 59 121.145 123.985 -2.840 1
1 648 . 19 1 1 A 60 60 GLU HA H 60 4.256 3.863 0.393 1
1 653 . 19 1 1 A 60 60 GLU CA C 60 56.093 57.242 -1.149 1
1 654 . 19 1 1 A 60 60 GLU CB C 60 29.429 27.784 1.645 1
1 656 . 19 1 1 A 63 63 LYS HA H 63 4.263 5.045 -0.782 1
1 663 . 19 1 1 A 63 63 LYS CA C 63 56.908 54.303 2.605 1
1 664 . 19 1 1 A 63 63 LYS CB C 63 32.778 36.043 -3.265 1
1 665 . 19 1 1 A 64 64 GLN H H 64 8.261 8.359 -0.098 1
1 666 . 19 1 1 A 64 64 GLN HA H 64 4.253 4.429 -0.176 1
1 673 . 19 1 1 A 64 64 GLN C C 64 176.687 175.233 1.454 1
1 674 . 19 1 1 A 64 64 GLN CA C 64 56.780 54.918 1.862 1
1 675 . 19 1 1 A 64 64 GLN CB C 64 29.198 29.463 -0.265 1
1 677 . 19 1 1 A 64 64 GLN N N 64 120.299 122.364 -2.065 1
1 679 . 19 1 1 A 65 65 LEU H H 65 8.190 8.212 -0.022 1
1 680 . 19 1 1 A 65 65 LEU HA H 65 4.306 5.023 -0.717 1
1 690 . 19 1 1 A 65 65 LEU C C 65 177.894 175.967 1.927 1
1 691 . 19 1 1 A 65 65 LEU CA C 65 55.952 53.320 2.632 1
1 692 . 19 1 1 A 65 65 LEU CB C 65 42.313 45.165 -2.852 1
1 696 . 19 1 1 A 65 65 LEU N N 65 122.723 122.106 0.617 1
1 697 . 19 1 1 A 66 66 LEU H H 66 8.165 8.794 -0.629 1
1 698 . 19 1 1 A 66 66 LEU HA H 66 4.305 5.123 -0.818 1
1 708 . 19 1 1 A 66 66 LEU C C 66 177.867 175.038 2.829 1
1 709 . 19 1 1 A 66 66 LEU CA C 66 55.775 53.532 2.243 1
1 710 . 19 1 1 A 66 66 LEU CB C 66 42.336 45.838 -3.502 1
1 714 . 19 1 1 A 66 66 LEU N N 66 121.812 117.864 3.948 1
1 715 . 19 1 1 A 67 67 SER H H 67 8.104 8.903 -0.799 1
1 716 . 19 1 1 A 67 67 SER CA C 67 58.896 57.898 0.998 1
1 717 . 19 1 1 A 67 67 SER CB C 67 63.674 64.684 -1.010 1
1 718 . 19 1 1 A 67 67 SER N N 67 115.632 117.952 -2.320 1
1 719 . 19 1 1 A 69 69 GLN HA H 69 4.221 4.522 -0.301 1
1 724 . 19 1 1 A 69 69 GLN CA C 69 57.547 54.827 2.720 1
1 725 . 19 1 1 A 69 69 GLN CB C 69 30.314 30.207 0.107 1
1 727 . 19 1 1 A 70 70 LYS H H 70 8.255 8.768 -0.513 1
1 728 . 19 1 1 A 70 70 LYS HA H 70 4.220 4.288 -0.068 1
1 737 . 19 1 1 A 70 70 LYS C C 70 176.303 176.033 0.270 1
1 738 . 19 1 1 A 70 70 LYS CA C 70 56.639 58.012 -1.373 1
1 739 . 19 1 1 A 70 70 LYS CB C 70 33.080 33.469 -0.389 1
1 743 . 19 1 1 A 70 70 LYS N N 70 121.417 123.227 -1.810 1
1 744 . 19 1 1 A 71 71 TYR H H 71 8.142 7.914 0.228 1
1 745 . 19 1 1 A 71 71 TYR HA H 71 4.571 4.118 0.453 1
1 752 . 19 1 1 A 71 71 TYR C C 71 175.736 175.080 0.656 1
1 753 . 19 1 1 A 71 71 TYR CA C 71 57.768 58.785 -1.017 1
1 754 . 19 1 1 A 71 71 TYR CB C 71 38.894 35.387 3.507 1
1 759 . 19 1 1 A 71 71 TYR N N 71 120.561 118.344 2.217 1
1 760 . 19 1 1 A 72 72 ALA H H 72 8.237 7.652 0.585 1
1 761 . 19 1 1 A 72 72 ALA HA H 72 4.292 4.427 -0.135 1
1 765 . 19 1 1 A 72 72 ALA C C 72 177.276 175.982 1.294 1
1 766 . 19 1 1 A 72 72 ALA CA C 72 52.642 52.229 0.413 1
1 767 . 19 1 1 A 72 72 ALA CB C 72 19.405 20.069 -0.664 1
1 768 . 19 1 1 A 72 72 ALA N N 72 125.192 121.305 3.887 1
1 769 . 19 1 1 A 73 73 ASP H H 73 8.220 8.691 -0.471 1
1 770 . 19 1 1 A 73 73 ASP HA H 73 4.549 5.290 -0.741 1
1 773 . 19 1 1 A 73 73 ASP C C 73 176.922 174.645 2.277 1
1 774 . 19 1 1 A 73 73 ASP CA C 73 54.682 52.724 1.958 1
1 775 . 19 1 1 A 73 73 ASP CB C 73 41.239 44.100 -2.861 1
1 776 . 19 1 1 A 73 73 ASP N N 73 119.269 114.848 4.421 1
1 777 . 19 1 1 A 74 74 GLY H H 74 8.269 8.461 -0.192 1
1 778 . 19 1 1 A 74 74 GLY HA2 H 74 3.963 4.036 -0.073 1
1 779 . 19 1 1 A 74 74 GLY HA3 H 74 3.879 4.084 -0.205 1
1 780 . 19 1 1 A 74 74 GLY C C 74 174.132 173.968 0.164 1
1 781 . 19 1 1 A 74 74 GLY CA C 74 45.551 45.795 -0.244 1
1 782 . 19 1 1 A 74 74 GLY N N 74 109.209 106.191 3.018 1
1 783 . 19 1 1 A 75 75 ALA H H 75 8.048 8.416 -0.368 1
1 784 . 19 1 1 A 75 75 ALA HA H 75 4.221 4.434 -0.213 1
1 788 . 19 1 1 A 75 75 ALA C C 75 177.507 177.125 0.382 1
1 789 . 19 1 1 A 75 75 ALA CA C 75 52.638 53.309 -0.671 1
1 790 . 19 1 1 A 75 75 ALA CB C 75 19.281 19.470 -0.189 1
1 791 . 19 1 1 A 75 75 ALA N N 75 123.382 124.836 -1.454 1
1 792 . 19 1 1 A 76 76 PHE H H 76 8.126 7.624 0.502 1
1 793 . 19 1 1 A 76 76 PHE HA H 76 4.541 4.770 -0.229 1
1 798 . 19 1 1 A 76 76 PHE C C 76 175.620 174.795 0.825 1
1 799 . 19 1 1 A 76 76 PHE CA C 76 57.733 55.596 2.137 1
1 800 . 19 1 1 A 76 76 PHE CB C 76 39.429 40.802 -1.373 1
1 801 . 19 1 1 A 76 76 PHE N N 76 118.540 115.368 3.172 1
1 802 . 19 1 1 A 77 77 ALA H H 77 8.017 8.570 -0.553 1
1 803 . 19 1 1 A 77 77 ALA HA H 77 4.207 4.371 -0.164 1
1 807 . 19 1 1 A 77 77 ALA C C 77 176.990 176.912 0.078 1
1 808 . 19 1 1 A 77 77 ALA CA C 77 52.602 53.807 -1.205 1
1 809 . 19 1 1 A 77 77 ALA CB C 77 19.528 20.427 -0.899 1
1 810 . 19 1 1 A 77 77 ALA N N 77 124.826 123.236 1.590 1
1 811 . 19 1 1 A 78 78 ASP H H 78 8.061 7.463 0.598 1
1 812 . 19 1 1 A 78 78 ASP HA H 78 4.538 4.882 -0.344 1
1 815 . 19 1 1 A 78 78 ASP C C 78 175.908 173.141 2.767 1
1 816 . 19 1 1 A 78 78 ASP CA C 78 54.189 53.145 1.044 1
1 817 . 19 1 1 A 78 78 ASP CB C 78 41.242 43.141 -1.899 1
1 818 . 19 1 1 A 78 78 ASP N N 78 119.019 112.617 6.402 1
1 819 . 19 1 1 A 79 79 PHE H H 79 8.023 8.837 -0.814 1
1 820 . 19 1 1 A 79 79 PHE HA H 79 4.586 5.163 -0.577 1
1 825 . 19 1 1 A 79 79 PHE C C 79 175.551 174.640 0.911 1
1 826 . 19 1 1 A 79 79 PHE CA C 79 57.891 56.463 1.428 1
1 827 . 19 1 1 A 79 79 PHE CB C 79 39.484 41.508 -2.024 1
1 828 . 19 1 1 A 79 79 PHE N N 79 120.449 117.747 2.702 1
1 829 . 19 1 1 A 80 80 LYS H H 80 8.161 8.574 -0.413 1
1 830 . 19 1 1 A 80 80 LYS HA H 80 4.251 4.727 -0.476 1
1 836 . 19 1 1 A 80 80 LYS C C 80 176.027 174.892 1.135 1
1 837 . 19 1 1 A 80 80 LYS CA C 80 56.233 55.717 0.516 1
1 838 . 19 1 1 A 80 80 LYS CB C 80 33.084 36.682 -3.598 1
1 842 . 19 1 1 A 80 80 LYS N N 80 123.309 123.871 -0.562 1
1 843 . 19 1 1 A 81 81 GLN H H 81 8.329 8.458 -0.129 1
1 844 . 19 1 1 A 81 81 GLN HA H 81 4.284 4.448 -0.164 1
1 851 . 19 1 1 A 81 81 GLN C C 81 176.009 175.389 0.620 1
1 852 . 19 1 1 A 81 81 GLN CA C 81 55.952 56.967 -1.015 1
1 853 . 19 1 1 A 81 81 GLN CB C 81 29.623 29.620 0.003 1
1 855 . 19 1 1 A 81 81 GLN N N 81 121.944 123.690 -1.746 1
1 857 . 19 1 1 A 82 82 GLU H H 82 8.542 8.637 -0.095 1
1 858 . 19 1 1 A 82 82 GLU HA H 82 4.350 5.148 -0.798 1
1 862 . 19 1 1 A 82 82 GLU C C 82 176.509 175.163 1.346 1
1 863 . 19 1 1 A 82 82 GLU CA C 82 56.675 54.589 2.086 1
1 864 . 19 1 1 A 82 82 GLU CB C 82 30.447 34.425 -3.978 1
1 866 . 19 1 1 A 82 82 GLU N N 82 122.687 120.591 2.096 1
1 867 . 19 1 1 A 83 83 SER H H 83 8.418 8.638 -0.220 1
1 868 . 19 1 1 A 83 83 SER HA H 83 4.516 5.061 -0.545 1
1 871 . 19 1 1 A 83 83 SER C C 83 174.538 173.474 1.064 1
1 872 . 19 1 1 A 83 83 SER CA C 83 58.403 56.815 1.588 1
1 873 . 19 1 1 A 83 83 SER CB C 83 64.018 66.907 -2.889 1
1 874 . 19 1 1 A 83 83 SER N N 83 116.897 113.765 3.132 1
1 875 . 19 1 1 A 84 84 GLY H H 84 8.276 8.315 -0.039 1
1 876 . 19 1 1 A 84 84 GLY C C 84 171.814 171.449 0.365 1
1 877 . 19 1 1 A 84 84 GLY CA C 84 44.722 45.469 -0.747 1
1 878 . 19 1 1 A 84 84 GLY N N 84 110.673 107.207 3.466 1
1 879 . 19 1 1 A 85 85 PRO HA H 85 4.497 4.588 -0.091 1
1 885 . 19 1 1 A 85 85 PRO C C 85 177.204 175.733 1.471 1
1 886 . 19 1 1 A 85 85 PRO CA C 85 63.290 62.393 0.897 1
1 887 . 19 1 1 A 85 85 PRO CB C 85 32.228 32.982 -0.754 1
1 890 . 19 1 1 A 86 86 SER H H 86 8.331 8.337 -0.006 1
1 891 . 19 1 1 A 86 86 SER HA H 86 4.339 4.884 -0.545 1
1 892 . 19 1 1 A 86 86 SER C C 86 174.935 175.408 -0.473 1
1 893 . 19 1 1 A 86 86 SER CA C 86 61.769 57.257 4.512 1
1 894 . 19 1 1 A 86 86 SER CB C 86 69.836 64.871 4.965 1
1 895 . 19 1 1 A 86 86 SER N N 86 114.681 117.469 -2.788 1
1 896 . 19 1 1 A 87 87 SER H H 87 8.121 8.851 -0.730 1
1 897 . 19 1 1 A 87 87 SER CA C 87 61.963 61.201 0.762 1
1 898 . 19 1 1 A 87 87 SER CB C 87 69.818 63.664 6.154 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.975 4.286 -0.311 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.975 4.286 -0.311 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.115 172.762 1.353 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.392 43.799 1.593 1
1 5 . 20 1 1 A 8 8 LEU H H 8 8.037 8.507 -0.470 1
1 6 . 20 1 1 A 8 8 LEU HA H 8 4.347 5.104 -0.757 1
1 16 . 20 1 1 A 8 8 LEU C C 8 177.426 175.359 2.067 1
1 17 . 20 1 1 A 8 8 LEU CA C 8 55.352 53.339 2.013 1
1 18 . 20 1 1 A 8 8 LEU CB C 8 42.478 45.977 -3.499 1
1 22 . 20 1 1 A 8 8 LEU N N 8 121.686 122.000 -0.314 1
1 23 . 20 1 1 A 9 9 LYS H H 9 8.309 9.046 -0.737 1
1 24 . 20 1 1 A 9 9 LYS HA H 9 4.319 5.146 -0.827 1
1 29 . 20 1 1 A 9 9 LYS CA C 9 56.195 54.611 1.584 1
1 30 . 20 1 1 A 9 9 LYS CB C 9 32.820 37.040 -4.220 1
1 34 . 20 1 1 A 9 9 LYS N N 9 122.335 118.191 4.144 1
1 35 . 20 1 1 A 10 10 ARG HA H 10 4.306 5.058 -0.752 1
1 42 . 20 1 1 A 10 10 ARG C C 10 175.845 174.671 1.174 1
1 43 . 20 1 1 A 10 10 ARG CA C 10 56.146 54.043 2.103 1
1 44 . 20 1 1 A 10 10 ARG CB C 10 31.005 34.531 -3.526 1
1 47 . 20 1 1 A 11 11 ASP H H 11 8.293 8.583 -0.290 1
1 48 . 20 1 1 A 11 11 ASP HA H 11 4.582 5.241 -0.659 1
1 51 . 20 1 1 A 11 11 ASP C C 11 175.382 175.824 -0.442 1
1 52 . 20 1 1 A 11 11 ASP CA C 11 54.612 53.802 0.810 1
1 53 . 20 1 1 A 11 11 ASP CB C 11 41.572 42.726 -1.154 1
1 54 . 20 1 1 A 11 11 ASP N N 11 120.563 121.057 -0.494 1
1 55 . 20 1 1 A 12 12 PHE H H 12 7.961 9.028 -1.067 1
1 56 . 20 1 1 A 12 12 PHE HA H 12 4.758 5.656 -0.898 1
1 63 . 20 1 1 A 12 12 PHE C C 12 175.068 172.612 2.456 1
1 64 . 20 1 1 A 12 12 PHE CA C 12 58.990 55.100 3.890 1
1 65 . 20 1 1 A 12 12 PHE CB C 12 40.037 41.816 -1.779 1
1 70 . 20 1 1 A 12 12 PHE N N 12 118.808 116.708 2.100 1
1 71 . 20 1 1 A 13 13 ILE H H 13 8.167 8.814 -0.647 1
1 72 . 20 1 1 A 13 13 ILE HA H 13 4.167 4.769 -0.602 1
1 82 . 20 1 1 A 13 13 ILE C C 13 175.712 173.850 1.862 1
1 83 . 20 1 1 A 13 13 ILE CA C 13 60.976 59.772 1.204 1
1 84 . 20 1 1 A 13 13 ILE CB C 13 39.277 40.751 -1.474 1
1 88 . 20 1 1 A 13 13 ILE N N 13 122.190 121.145 1.045 1
1 89 . 20 1 1 A 14 14 ILE H H 14 8.287 8.913 -0.626 1
1 90 . 20 1 1 A 14 14 ILE HA H 14 4.163 4.631 -0.468 1
1 100 . 20 1 1 A 14 14 ILE C C 14 176.116 174.756 1.360 1
1 101 . 20 1 1 A 14 14 ILE CA C 14 61.142 60.961 0.181 1
1 102 . 20 1 1 A 14 14 ILE CB C 14 38.438 36.937 1.501 1
1 106 . 20 1 1 A 14 14 ILE N N 14 125.550 129.278 -3.728 1
1 107 . 20 1 1 A 15 15 LEU H H 15 8.398 8.550 -0.152 1
1 108 . 20 1 1 A 15 15 LEU HA H 15 4.397 5.265 -0.868 1
1 118 . 20 1 1 A 15 15 LEU C C 15 177.749 175.852 1.897 1
1 119 . 20 1 1 A 15 15 LEU CA C 15 55.123 52.482 2.641 1
1 120 . 20 1 1 A 15 15 LEU CB C 15 42.560 45.812 -3.252 1
1 124 . 20 1 1 A 15 15 LEU N N 15 127.408 122.526 4.882 1
1 125 . 20 1 1 A 16 16 GLY H H 16 8.347 8.320 0.027 1
1 126 . 20 1 1 A 16 16 GLY HA2 H 16 3.964 4.188 -0.224 1
1 127 . 20 1 1 A 16 16 GLY HA3 H 16 3.964 4.188 -0.224 1
1 128 . 20 1 1 A 16 16 GLY C C 16 172.979 174.857 -1.878 1
1 129 . 20 1 1 A 16 16 GLY CA C 16 45.286 45.952 -0.666 1
1 130 . 20 1 1 A 16 16 GLY N N 16 109.546 106.311 3.235 1
1 131 . 20 1 1 A 17 17 ASN H H 17 7.974 9.389 -1.415 1
1 132 . 20 1 1 A 17 17 ASN HA H 17 4.577 4.387 0.190 1
1 137 . 20 1 1 A 17 17 ASN C C 17 175.869 176.050 -0.181 1
1 138 . 20 1 1 A 17 17 ASN CA C 17 54.665 56.062 -1.397 1
1 139 . 20 1 1 A 17 17 ASN CB C 17 40.830 38.155 2.675 1
1 140 . 20 1 1 A 17 17 ASN N N 17 124.057 120.863 3.194 1
1 142 . 20 1 1 A 18 18 GLY H H 18 8.150 8.017 0.133 1
1 143 . 20 1 1 A 18 18 GLY HA2 H 18 4.073 3.893 0.180 1
1 144 . 20 1 1 A 18 18 GLY HA3 H 18 4.073 3.893 0.180 1
1 145 . 20 1 1 A 18 18 GLY C C 18 172.372 174.188 -1.816 1
1 146 . 20 1 1 A 18 18 GLY CA C 18 44.898 47.115 -2.217 1
1 147 . 20 1 1 A 18 18 GLY N N 18 113.988 107.651 6.337 1
1 148 . 20 1 1 A 19 19 PRO HA H 19 4.441 4.517 -0.076 1
1 155 . 20 1 1 A 19 19 PRO C C 19 177.039 176.239 0.800 1
1 156 . 20 1 1 A 19 19 PRO CA C 19 63.268 63.016 0.252 1
1 157 . 20 1 1 A 19 19 PRO CB C 19 32.159 32.345 -0.186 1
1 160 . 20 1 1 A 20 20 ARG H H 20 8.414 8.489 -0.075 1
1 161 . 20 1 1 A 20 20 ARG HA H 20 4.339 4.740 -0.401 1
1 167 . 20 1 1 A 20 20 ARG C C 20 176.312 175.180 1.132 1
1 168 . 20 1 1 A 20 20 ARG CA C 20 56.111 55.861 0.250 1
1 169 . 20 1 1 A 20 20 ARG CB C 20 30.612 30.889 -0.277 1
1 172 . 20 1 1 A 20 20 ARG N N 20 120.839 122.150 -1.311 1
1 173 . 20 1 1 A 21 21 LEU H H 21 8.306 8.750 -0.444 1
1 174 . 20 1 1 A 21 21 LEU HA H 21 4.405 4.975 -0.570 1
1 183 . 20 1 1 A 21 21 LEU C C 21 177.403 175.197 2.206 1
1 184 . 20 1 1 A 21 21 LEU CA C 21 55.141 53.460 1.681 1
1 185 . 20 1 1 A 21 21 LEU CB C 21 42.190 45.692 -3.502 1
1 189 . 20 1 1 A 21 21 LEU N N 21 123.561 125.907 -2.346 1
1 190 . 20 1 1 A 22 22 GLN H H 22 8.406 8.605 -0.199 1
1 191 . 20 1 1 A 22 22 GLN HA H 22 4.336 4.609 -0.273 1
1 198 . 20 1 1 A 22 22 GLN C C 22 175.699 174.731 0.968 1
1 199 . 20 1 1 A 22 22 GLN CA C 22 56.181 55.540 0.641 1
1 200 . 20 1 1 A 22 22 GLN CB C 22 29.492 29.411 0.081 1
1 202 . 20 1 1 A 22 22 GLN N N 22 120.835 121.055 -0.220 1
1 204 . 20 1 1 A 24 24 SER HA H 24 4.451 4.718 -0.267 1
1 207 . 20 1 1 A 24 24 SER C C 24 173.514 173.185 0.329 1
1 208 . 20 1 1 A 24 24 SER CA C 24 58.579 56.877 1.702 1
1 209 . 20 1 1 A 24 24 SER CB C 24 63.967 63.079 0.888 1
1 210 . 20 1 1 A 25 25 THR H H 25 7.806 8.335 -0.529 1
1 211 . 20 1 1 A 25 25 THR HA H 25 4.348 4.636 -0.288 1
1 216 . 20 1 1 A 25 25 THR C C 25 173.359 174.184 -0.825 1
1 217 . 20 1 1 A 25 25 THR CA C 25 61.593 62.443 -0.850 1
1 218 . 20 1 1 A 25 25 THR CB C 25 70.716 70.174 0.542 1
1 220 . 20 1 1 A 25 25 THR N N 25 114.185 121.125 -6.940 1
1 221 . 20 1 1 A 26 26 TYR H H 26 8.598 9.576 -0.978 1
1 222 . 20 1 1 A 26 26 TYR HA H 26 4.670 5.064 -0.394 1
1 229 . 20 1 1 A 26 26 TYR C C 26 174.444 174.915 -0.471 1
1 230 . 20 1 1 A 26 26 TYR CA C 26 56.798 57.419 -0.621 1
1 231 . 20 1 1 A 26 26 TYR CB C 26 39.717 39.787 -0.070 1
1 236 . 20 1 1 A 26 26 TYR N N 26 121.326 125.338 -4.012 1
1 237 . 20 1 1 A 27 27 GLN H H 27 8.528 8.888 -0.360 1
1 238 . 20 1 1 A 27 27 GLN HA H 27 4.670 4.942 -0.272 1
1 245 . 20 1 1 A 27 27 GLN C C 27 175.055 175.087 -0.032 1
1 246 . 20 1 1 A 27 27 GLN CA C 27 54.718 54.398 0.320 1
1 247 . 20 1 1 A 27 27 GLN CB C 27 30.938 29.651 1.287 1
1 249 . 20 1 1 A 27 27 GLN N N 27 123.045 124.411 -1.366 1
1 251 . 20 1 1 A 28 28 CYS H H 28 8.682 8.486 0.196 1
1 252 . 20 1 1 A 28 28 CYS HA H 28 4.331 4.471 -0.140 1
1 255 . 20 1 1 A 28 28 CYS C C 28 176.610 176.743 -0.133 1
1 256 . 20 1 1 A 28 28 CYS CA C 28 60.394 60.399 -0.005 1
1 257 . 20 1 1 A 28 28 CYS CB C 28 29.850 28.589 1.261 1
1 258 . 20 1 1 A 28 28 CYS N N 28 129.276 126.278 2.998 1
1 259 . 20 1 1 A 29 29 LYS H H 29 8.454 8.654 -0.200 1
1 260 . 20 1 1 A 29 29 LYS HA H 29 4.257 4.475 -0.218 1
1 269 . 20 1 1 A 29 29 LYS C C 29 176.581 175.964 0.617 1
1 270 . 20 1 1 A 29 29 LYS CA C 29 57.584 57.548 0.036 1
1 271 . 20 1 1 A 29 29 LYS CB C 29 32.145 32.421 -0.276 1
1 275 . 20 1 1 A 29 29 LYS N N 29 127.445 123.142 4.303 1
1 276 . 20 1 1 A 30 30 HIS H H 30 9.625 8.048 1.577 1
1 277 . 20 1 1 A 30 30 HIS HA H 30 4.608 4.579 0.029 1
1 281 . 20 1 1 A 30 30 HIS C C 30 175.524 176.631 -1.107 1
1 282 . 20 1 1 A 30 30 HIS CA C 30 56.956 57.378 -0.422 1
1 283 . 20 1 1 A 30 30 HIS CB C 30 30.732 31.313 -0.581 1
1 285 . 20 1 1 A 30 30 HIS N N 30 121.657 116.667 4.990 1
1 286 . 20 1 1 A 31 31 CYS H H 31 8.086 8.200 -0.114 1
1 287 . 20 1 1 A 31 31 CYS HA H 31 5.078 4.516 0.562 1
1 290 . 20 1 1 A 31 31 CYS C C 31 173.769 174.261 -0.492 1
1 291 . 20 1 1 A 31 31 CYS CA C 31 58.349 58.188 0.161 1
1 292 . 20 1 1 A 31 31 CYS CB C 31 31.268 29.330 1.938 1
1 293 . 20 1 1 A 31 31 CYS N N 31 118.457 113.618 4.839 1
1 294 . 20 1 1 A 32 32 ASP H H 32 8.135 7.850 0.285 1
1 295 . 20 1 1 A 32 32 ASP HA H 32 4.637 4.633 0.004 1
1 298 . 20 1 1 A 32 32 ASP C C 32 176.540 174.665 1.875 1
1 299 . 20 1 1 A 32 32 ASP CA C 32 55.687 55.540 0.147 1
1 300 . 20 1 1 A 32 32 ASP CB C 32 40.418 39.070 1.348 1
1 301 . 20 1 1 A 32 32 ASP N N 32 116.820 117.884 -1.064 1
1 302 . 20 1 1 A 33 33 SER H H 33 8.667 8.022 0.645 1
1 303 . 20 1 1 A 33 33 SER HA H 33 4.267 4.646 -0.379 1
1 306 . 20 1 1 A 33 33 SER C C 33 172.462 173.315 -0.853 1
1 307 . 20 1 1 A 33 33 SER CA C 33 61.452 57.301 4.151 1
1 308 . 20 1 1 A 33 33 SER CB C 33 63.893 65.842 -1.949 1
1 309 . 20 1 1 A 33 33 SER N N 33 119.488 112.199 7.289 1
1 310 . 20 1 1 A 34 34 LYS H H 34 8.389 8.419 -0.030 1
1 311 . 20 1 1 A 34 34 LYS HA H 34 4.747 5.391 -0.644 1
1 320 . 20 1 1 A 34 34 LYS C C 34 175.517 175.301 0.216 1
1 321 . 20 1 1 A 34 34 LYS CA C 34 55.476 54.810 0.666 1
1 322 . 20 1 1 A 34 34 LYS CB C 34 33.526 34.944 -1.418 1
1 326 . 20 1 1 A 34 34 LYS N N 34 122.954 119.507 3.447 1
1 327 . 20 1 1 A 35 35 LEU H H 35 8.825 8.707 0.118 1
1 328 . 20 1 1 A 35 35 LEU HA H 35 4.847 4.896 -0.049 1
1 338 . 20 1 1 A 35 35 LEU C C 35 177.476 177.452 0.024 1
1 339 . 20 1 1 A 35 35 LEU CA C 35 52.673 53.010 -0.337 1
1 340 . 20 1 1 A 35 35 LEU CB C 35 42.115 44.610 -2.495 1
1 344 . 20 1 1 A 35 35 LEU N N 35 126.489 125.958 0.531 1
1 345 . 20 1 1 A 36 36 GLN H H 36 8.883 8.249 0.634 1
1 346 . 20 1 1 A 36 36 GLN HA H 36 4.565 3.999 0.566 1
1 353 . 20 1 1 A 36 36 GLN C C 36 175.227 175.714 -0.487 1
1 354 . 20 1 1 A 36 36 GLN CA C 36 56.763 59.449 -2.686 1
1 355 . 20 1 1 A 36 36 GLN CB C 36 30.225 29.037 1.188 1
1 357 . 20 1 1 A 36 36 GLN N N 36 116.410 122.820 -6.410 1
1 359 . 20 1 1 A 37 37 SER H H 37 7.345 7.478 -0.133 1
1 360 . 20 1 1 A 37 37 SER HA H 37 4.569 3.756 0.813 1
1 363 . 20 1 1 A 37 37 SER C C 37 179.414 173.100 6.314 1
1 364 . 20 1 1 A 37 37 SER CA C 37 56.780 56.266 0.514 1
1 365 . 20 1 1 A 37 37 SER CB C 37 66.444 64.659 1.785 1
1 366 . 20 1 1 A 37 37 SER N N 37 110.125 109.773 0.352 1
1 367 . 20 1 1 A 38 38 THR H H 38 8.099 8.175 -0.076 1
1 368 . 20 1 1 A 38 38 THR HA H 38 3.627 3.624 0.003 1
1 373 . 20 1 1 A 38 38 THR CA C 38 65.831 66.413 -0.582 1
1 374 . 20 1 1 A 38 38 THR CB C 38 68.118 68.766 -0.648 1
1 376 . 20 1 1 A 38 38 THR N N 38 121.696 118.595 3.101 1
1 377 . 20 1 1 A 39 39 ALA HA H 39 4.155 4.022 0.133 1
1 381 . 20 1 1 A 39 39 ALA C C 39 180.623 179.496 1.127 1
1 382 . 20 1 1 A 39 39 ALA CA C 39 55.406 55.331 0.075 1
1 383 . 20 1 1 A 39 39 ALA CB C 39 18.098 18.660 -0.562 1
1 384 . 20 1 1 A 40 40 GLU H H 40 7.881 8.003 -0.122 1
1 385 . 20 1 1 A 40 40 GLU HA H 40 4.114 4.174 -0.060 1
1 390 . 20 1 1 A 40 40 GLU C C 40 179.352 178.896 0.456 1
1 391 . 20 1 1 A 40 40 GLU CA C 40 58.914 59.152 -0.238 1
1 392 . 20 1 1 A 40 40 GLU CB C 40 30.822 29.859 0.963 1
1 394 . 20 1 1 A 40 40 GLU N N 40 118.475 117.955 0.520 1
1 395 . 20 1 1 A 41 41 LEU H H 41 8.096 7.930 0.166 1
1 396 . 20 1 1 A 41 41 LEU HA H 41 4.115 4.088 0.027 1
1 406 . 20 1 1 A 41 41 LEU C C 41 177.620 178.799 -1.179 1
1 407 . 20 1 1 A 41 41 LEU CA C 41 58.841 58.232 0.609 1
1 408 . 20 1 1 A 41 41 LEU CB C 41 41.442 41.611 -0.169 1
1 412 . 20 1 1 A 41 41 LEU N N 41 121.715 122.105 -0.390 1
1 413 . 20 1 1 A 42 42 THR H H 42 8.599 8.419 0.180 1
1 414 . 20 1 1 A 42 42 THR HA H 42 3.860 3.874 -0.014 1
1 419 . 20 1 1 A 42 42 THR C C 42 176.761 176.420 0.341 1
1 420 . 20 1 1 A 42 42 THR CA C 42 67.345 66.388 0.957 1
1 421 . 20 1 1 A 42 42 THR CB C 42 68.758 68.811 -0.053 1
1 423 . 20 1 1 A 42 42 THR N N 42 115.801 114.599 1.202 1
1 424 . 20 1 1 A 43 43 SER H H 43 7.833 8.060 -0.227 1
1 425 . 20 1 1 A 43 43 SER HA H 43 4.251 4.182 0.069 1
1 428 . 20 1 1 A 43 43 SER C C 43 176.836 176.175 0.661 1
1 429 . 20 1 1 A 43 43 SER CA C 43 61.646 62.034 -0.388 1
1 430 . 20 1 1 A 43 43 SER CB C 43 62.750 63.468 -0.718 1
1 431 . 20 1 1 A 43 43 SER N N 43 115.657 117.667 -2.010 1
1 432 . 20 1 1 A 44 44 HIS H H 44 8.415 8.155 0.260 1
1 433 . 20 1 1 A 44 44 HIS HA H 44 4.182 4.132 0.050 1
1 438 . 20 1 1 A 44 44 HIS C C 44 177.125 176.710 0.415 1
1 439 . 20 1 1 A 44 44 HIS CA C 44 60.094 59.995 0.099 1
1 440 . 20 1 1 A 44 44 HIS CB C 44 28.846 30.017 -1.171 1
1 443 . 20 1 1 A 44 44 HIS N N 44 122.271 122.244 0.027 1
1 444 . 20 1 1 A 45 45 LEU H H 45 8.854 8.745 0.109 1
1 445 . 20 1 1 A 45 45 LEU HA H 45 4.100 3.495 0.605 1
1 455 . 20 1 1 A 45 45 LEU C C 45 179.448 178.567 0.881 1
1 456 . 20 1 1 A 45 45 LEU CA C 45 58.297 58.198 0.099 1
1 457 . 20 1 1 A 45 45 LEU CB C 45 41.666 41.287 0.379 1
1 461 . 20 1 1 A 45 45 LEU N N 45 118.289 120.027 -1.738 1
1 462 . 20 1 1 A 46 46 ASN H H 46 7.730 8.344 -0.614 1
1 463 . 20 1 1 A 46 46 ASN HA H 46 4.502 4.358 0.144 1
1 468 . 20 1 1 A 46 46 ASN C C 46 177.759 177.971 -0.212 1
1 469 . 20 1 1 A 46 46 ASN CA C 46 56.163 56.394 -0.231 1
1 470 . 20 1 1 A 46 46 ASN CB C 46 38.069 37.869 0.200 1
1 471 . 20 1 1 A 46 46 ASN N N 46 117.155 116.175 0.980 1
1 473 . 20 1 1 A 47 47 ILE H H 47 7.670 8.080 -0.410 1
1 474 . 20 1 1 A 47 47 ILE HA H 47 3.787 3.569 0.218 1
1 484 . 20 1 1 A 47 47 ILE C C 47 178.447 178.142 0.305 1
1 485 . 20 1 1 A 47 47 ILE CA C 47 64.273 65.191 -0.918 1
1 486 . 20 1 1 A 47 47 ILE CB C 47 37.214 37.858 -0.644 1
1 490 . 20 1 1 A 47 47 ILE N N 47 119.392 119.641 -0.249 1
1 491 . 20 1 1 A 48 48 HIS H H 48 6.999 8.136 -1.137 1
1 492 . 20 1 1 A 48 48 HIS HA H 48 4.437 4.285 0.152 1
1 497 . 20 1 1 A 48 48 HIS C C 48 175.932 177.790 -1.858 1
1 498 . 20 1 1 A 48 48 HIS CA C 48 56.855 59.724 -2.869 1
1 499 . 20 1 1 A 48 48 HIS CB C 48 27.971 29.802 -1.831 1
1 502 . 20 1 1 A 48 48 HIS N N 48 116.931 119.022 -2.091 1
1 503 . 20 1 1 A 49 49 ASN H H 49 8.059 7.920 0.139 1
1 504 . 20 1 1 A 49 49 ASN HA H 49 4.555 4.365 0.190 1
1 509 . 20 1 1 A 49 49 ASN C C 49 177.139 178.290 -1.151 1
1 510 . 20 1 1 A 49 49 ASN CA C 49 55.552 56.450 -0.898 1
1 511 . 20 1 1 A 49 49 ASN CB C 49 38.495 37.923 0.572 1
1 512 . 20 1 1 A 49 49 ASN N N 49 118.208 116.920 1.288 1
1 514 . 20 1 1 A 50 50 GLU H H 50 8.336 8.264 0.072 1
1 515 . 20 1 1 A 50 50 GLU HA H 50 4.090 4.023 0.067 1
1 520 . 20 1 1 A 50 50 GLU C C 50 178.637 179.688 -1.051 1
1 521 . 20 1 1 A 50 50 GLU CA C 50 59.246 59.593 -0.347 1
1 522 . 20 1 1 A 50 50 GLU CB C 50 29.582 29.305 0.277 1
1 524 . 20 1 1 A 50 50 GLU N N 50 121.316 119.131 2.185 1
1 525 . 20 1 1 A 51 51 GLU H H 51 7.932 7.614 0.318 1
1 526 . 20 1 1 A 51 51 GLU HA H 51 4.093 4.146 -0.053 1
1 531 . 20 1 1 A 51 51 GLU C C 51 179.088 178.764 0.324 1
1 532 . 20 1 1 A 51 51 GLU CA C 51 59.037 58.933 0.104 1
1 533 . 20 1 1 A 51 51 GLU CB C 51 29.183 29.385 -0.202 1
1 535 . 20 1 1 A 51 51 GLU N N 51 120.058 119.749 0.309 1
1 536 . 20 1 1 A 52 52 PHE H H 52 8.345 8.715 -0.370 1
1 537 . 20 1 1 A 52 52 PHE HA H 52 4.411 4.146 0.265 1
1 545 . 20 1 1 A 52 52 PHE C C 52 178.654 177.560 1.094 1
1 546 . 20 1 1 A 52 52 PHE CA C 52 59.523 61.020 -1.497 1
1 547 . 20 1 1 A 52 52 PHE CB C 52 38.261 39.169 -0.908 1
1 553 . 20 1 1 A 52 52 PHE N N 52 119.698 122.595 -2.897 1
1 554 . 20 1 1 A 53 53 GLN H H 53 8.197 8.652 -0.455 1
1 555 . 20 1 1 A 53 53 GLN HA H 53 4.153 3.893 0.260 1
1 562 . 20 1 1 A 53 53 GLN C C 53 178.059 178.157 -0.098 1
1 563 . 20 1 1 A 53 53 GLN CA C 53 58.120 58.334 -0.214 1
1 564 . 20 1 1 A 53 53 GLN CB C 53 28.591 28.748 -0.157 1
1 566 . 20 1 1 A 53 53 GLN N N 53 118.967 117.254 1.713 1
1 568 . 20 1 1 A 54 54 LYS H H 54 8.008 7.429 0.579 1
1 569 . 20 1 1 A 54 54 LYS HA H 54 4.118 4.002 0.116 1
1 577 . 20 1 1 A 54 54 LYS C C 54 178.686 178.567 0.119 1
1 578 . 20 1 1 A 54 54 LYS CA C 54 59.002 59.476 -0.474 1
1 579 . 20 1 1 A 54 54 LYS CB C 54 32.608 32.260 0.348 1
1 583 . 20 1 1 A 54 54 LYS N N 54 119.791 119.544 0.247 1
1 584 . 20 1 1 A 55 55 ARG H H 55 7.978 7.857 0.121 1
1 585 . 20 1 1 A 55 55 ARG HA H 55 4.136 4.235 -0.099 1
1 592 . 20 1 1 A 55 55 ARG C C 55 177.610 177.819 -0.209 1
1 593 . 20 1 1 A 55 55 ARG CA C 55 58.183 59.367 -1.184 1
1 594 . 20 1 1 A 55 55 ARG CB C 55 30.410 30.076 0.334 1
1 597 . 20 1 1 A 55 55 ARG N N 55 119.619 119.726 -0.107 1
1 598 . 20 1 1 A 56 56 ALA H H 56 8.008 7.647 0.361 1
1 599 . 20 1 1 A 56 56 ALA HA H 56 4.196 3.931 0.265 1
1 603 . 20 1 1 A 56 56 ALA C C 56 179.269 178.994 0.275 1
1 604 . 20 1 1 A 56 56 ALA CA C 56 53.930 55.025 -1.095 1
1 605 . 20 1 1 A 56 56 ALA CB C 56 18.539 18.805 -0.266 1
1 606 . 20 1 1 A 56 56 ALA N N 56 122.850 121.767 1.083 1
1 607 . 20 1 1 A 57 57 LYS H H 57 8.014 7.620 0.394 1
1 608 . 20 1 1 A 57 57 LYS HA H 57 4.225 4.281 -0.056 1
1 617 . 20 1 1 A 57 57 LYS C C 57 177.892 175.861 2.031 1
1 618 . 20 1 1 A 57 57 LYS CA C 57 57.504 55.151 2.353 1
1 619 . 20 1 1 A 57 57 LYS CB C 57 32.646 31.162 1.484 1
1 623 . 20 1 1 A 57 57 LYS N N 57 118.986 118.085 0.901 1
1 624 . 20 1 1 A 58 58 ARG H H 58 8.039 7.840 0.199 1
1 625 . 20 1 1 A 58 58 ARG HA H 58 4.229 4.112 0.117 1
1 632 . 20 1 1 A 58 58 ARG C C 58 177.156 174.402 2.754 1
1 633 . 20 1 1 A 58 58 ARG CA C 58 57.425 57.146 0.279 1
1 634 . 20 1 1 A 58 58 ARG CB C 58 30.561 27.505 3.056 1
1 637 . 20 1 1 A 58 58 ARG N N 58 120.747 115.347 5.400 1
1 638 . 20 1 1 A 59 59 GLN H H 59 8.195 7.519 0.676 1
1 639 . 20 1 1 A 59 59 GLN HA H 59 4.228 4.440 -0.212 1
1 644 . 20 1 1 A 59 59 GLN CA C 59 57.412 54.883 2.529 1
1 645 . 20 1 1 A 59 59 GLN CB C 59 32.773 27.650 5.123 1
1 647 . 20 1 1 A 59 59 GLN N N 59 121.145 118.662 2.483 1
1 648 . 20 1 1 A 60 60 GLU HA H 60 4.256 5.009 -0.753 1
1 653 . 20 1 1 A 60 60 GLU CA C 60 56.093 54.911 1.182 1
1 654 . 20 1 1 A 60 60 GLU CB C 60 29.429 32.841 -3.412 1
1 656 . 20 1 1 A 63 63 LYS HA H 63 4.263 4.742 -0.479 1
1 663 . 20 1 1 A 63 63 LYS CA C 63 56.908 54.535 2.373 1
1 664 . 20 1 1 A 63 63 LYS CB C 63 32.778 35.315 -2.537 1
1 665 . 20 1 1 A 64 64 GLN H H 64 8.261 8.541 -0.280 1
1 666 . 20 1 1 A 64 64 GLN HA H 64 4.253 4.227 0.026 1
1 673 . 20 1 1 A 64 64 GLN C C 64 176.687 175.813 0.874 1
1 674 . 20 1 1 A 64 64 GLN CA C 64 56.780 55.906 0.874 1
1 675 . 20 1 1 A 64 64 GLN CB C 64 29.198 29.135 0.063 1
1 677 . 20 1 1 A 64 64 GLN N N 64 120.299 124.707 -4.408 1
1 679 . 20 1 1 A 65 65 LEU H H 65 8.190 8.615 -0.425 1
1 680 . 20 1 1 A 65 65 LEU HA H 65 4.306 4.933 -0.627 1
1 690 . 20 1 1 A 65 65 LEU C C 65 177.894 176.119 1.775 1
1 691 . 20 1 1 A 65 65 LEU CA C 65 55.952 53.444 2.508 1
1 692 . 20 1 1 A 65 65 LEU CB C 65 42.313 46.132 -3.819 1
1 696 . 20 1 1 A 65 65 LEU N N 65 122.723 121.301 1.422 1
1 697 . 20 1 1 A 66 66 LEU H H 66 8.165 8.568 -0.403 1
1 698 . 20 1 1 A 66 66 LEU HA H 66 4.305 4.546 -0.241 1
1 708 . 20 1 1 A 66 66 LEU C C 66 177.867 175.522 2.345 1
1 709 . 20 1 1 A 66 66 LEU CA C 66 55.775 54.608 1.167 1
1 710 . 20 1 1 A 66 66 LEU CB C 66 42.336 42.273 0.063 1
1 714 . 20 1 1 A 66 66 LEU N N 66 121.812 120.516 1.296 1
1 715 . 20 1 1 A 67 67 SER H H 67 8.104 8.549 -0.445 1
1 716 . 20 1 1 A 67 67 SER CA C 67 58.896 57.497 1.399 1
1 717 . 20 1 1 A 67 67 SER CB C 67 63.674 67.725 -4.051 1
1 718 . 20 1 1 A 67 67 SER N N 67 115.632 115.086 0.546 1
1 719 . 20 1 1 A 69 69 GLN HA H 69 4.221 5.166 -0.945 1
1 724 . 20 1 1 A 69 69 GLN CA C 69 57.547 54.012 3.535 1
1 725 . 20 1 1 A 69 69 GLN CB C 69 30.314 32.395 -2.081 1
1 727 . 20 1 1 A 70 70 LYS H H 70 8.255 8.565 -0.310 1
1 728 . 20 1 1 A 70 70 LYS HA H 70 4.220 4.963 -0.743 1
1 737 . 20 1 1 A 70 70 LYS C C 70 176.303 175.046 1.257 1
1 738 . 20 1 1 A 70 70 LYS CA C 70 56.639 54.503 2.136 1
1 739 . 20 1 1 A 70 70 LYS CB C 70 33.080 36.477 -3.397 1
1 743 . 20 1 1 A 70 70 LYS N N 70 121.417 123.631 -2.214 1
1 744 . 20 1 1 A 71 71 TYR H H 71 8.142 8.825 -0.683 1
1 745 . 20 1 1 A 71 71 TYR HA H 71 4.571 5.527 -0.956 1
1 752 . 20 1 1 A 71 71 TYR C C 71 175.736 173.255 2.481 1
1 753 . 20 1 1 A 71 71 TYR CA C 71 57.768 56.008 1.760 1
1 754 . 20 1 1 A 71 71 TYR CB C 71 38.894 41.813 -2.919 1
1 759 . 20 1 1 A 71 71 TYR N N 71 120.561 117.189 3.372 1
1 760 . 20 1 1 A 72 72 ALA H H 72 8.237 8.720 -0.483 1
1 761 . 20 1 1 A 72 72 ALA HA H 72 4.292 4.608 -0.316 1
1 765 . 20 1 1 A 72 72 ALA C C 72 177.276 175.339 1.937 1
1 766 . 20 1 1 A 72 72 ALA CA C 72 52.642 51.402 1.240 1
1 767 . 20 1 1 A 72 72 ALA CB C 72 19.405 23.058 -3.653 1
1 768 . 20 1 1 A 72 72 ALA N N 72 125.192 121.732 3.460 1
1 769 . 20 1 1 A 73 73 ASP H H 73 8.220 8.612 -0.392 1
1 770 . 20 1 1 A 73 73 ASP HA H 73 4.549 5.091 -0.542 1
1 773 . 20 1 1 A 73 73 ASP C C 73 176.922 174.460 2.462 1
1 774 . 20 1 1 A 73 73 ASP CA C 73 54.682 53.039 1.643 1
1 775 . 20 1 1 A 73 73 ASP CB C 73 41.239 43.764 -2.525 1
1 776 . 20 1 1 A 73 73 ASP N N 73 119.269 116.132 3.137 1
1 777 . 20 1 1 A 74 74 GLY H H 74 8.269 8.403 -0.134 1
1 778 . 20 1 1 A 74 74 GLY HA2 H 74 3.963 4.215 -0.252 1
1 779 . 20 1 1 A 74 74 GLY HA3 H 74 3.879 4.237 -0.358 1
1 780 . 20 1 1 A 74 74 GLY C C 74 174.132 173.615 0.517 1
1 781 . 20 1 1 A 74 74 GLY CA C 74 45.551 44.439 1.112 1
1 782 . 20 1 1 A 74 74 GLY N N 74 109.209 106.052 3.157 1
1 783 . 20 1 1 A 75 75 ALA H H 75 8.048 8.724 -0.676 1
1 784 . 20 1 1 A 75 75 ALA HA H 75 4.221 3.879 0.342 1
1 788 . 20 1 1 A 75 75 ALA C C 75 177.507 175.999 1.508 1
1 789 . 20 1 1 A 75 75 ALA CA C 75 52.638 52.879 -0.241 1
1 790 . 20 1 1 A 75 75 ALA CB C 75 19.281 17.533 1.748 1
1 791 . 20 1 1 A 75 75 ALA N N 75 123.382 123.113 0.269 1
1 792 . 20 1 1 A 76 76 PHE H H 76 8.126 8.111 0.015 1
1 793 . 20 1 1 A 76 76 PHE HA H 76 4.541 4.980 -0.439 1
1 798 . 20 1 1 A 76 76 PHE C C 76 175.620 174.587 1.033 1
1 799 . 20 1 1 A 76 76 PHE CA C 76 57.733 57.398 0.335 1
1 800 . 20 1 1 A 76 76 PHE CB C 76 39.429 41.703 -2.274 1
1 801 . 20 1 1 A 76 76 PHE N N 76 118.540 116.634 1.906 1
1 802 . 20 1 1 A 77 77 ALA H H 77 8.017 8.054 -0.037 1
1 803 . 20 1 1 A 77 77 ALA HA H 77 4.207 4.788 -0.581 1
1 807 . 20 1 1 A 77 77 ALA C C 77 176.990 175.213 1.777 1
1 808 . 20 1 1 A 77 77 ALA CA C 77 52.602 51.405 1.197 1
1 809 . 20 1 1 A 77 77 ALA CB C 77 19.528 23.089 -3.561 1
1 810 . 20 1 1 A 77 77 ALA N N 77 124.826 128.691 -3.865 1
1 811 . 20 1 1 A 78 78 ASP H H 78 8.061 8.110 -0.049 1
1 812 . 20 1 1 A 78 78 ASP HA H 78 4.538 4.846 -0.308 1
1 815 . 20 1 1 A 78 78 ASP C C 78 175.908 174.200 1.708 1
1 816 . 20 1 1 A 78 78 ASP CA C 78 54.189 53.674 0.515 1
1 817 . 20 1 1 A 78 78 ASP CB C 78 41.242 44.629 -3.387 1
1 818 . 20 1 1 A 78 78 ASP N N 78 119.019 119.333 -0.314 1
1 819 . 20 1 1 A 79 79 PHE H H 79 8.023 8.700 -0.677 1
1 820 . 20 1 1 A 79 79 PHE HA H 79 4.586 4.641 -0.055 1
1 825 . 20 1 1 A 79 79 PHE C C 79 175.551 175.970 -0.419 1
1 826 . 20 1 1 A 79 79 PHE CA C 79 57.891 59.000 -1.109 1
1 827 . 20 1 1 A 79 79 PHE CB C 79 39.484 40.478 -0.994 1
1 828 . 20 1 1 A 79 79 PHE N N 79 120.449 121.542 -1.093 1
1 829 . 20 1 1 A 80 80 LYS H H 80 8.161 8.304 -0.143 1
1 830 . 20 1 1 A 80 80 LYS HA H 80 4.251 3.989 0.262 1
1 836 . 20 1 1 A 80 80 LYS C C 80 176.027 175.054 0.973 1
1 837 . 20 1 1 A 80 80 LYS CA C 80 56.233 57.365 -1.132 1
1 838 . 20 1 1 A 80 80 LYS CB C 80 33.084 31.151 1.933 1
1 842 . 20 1 1 A 80 80 LYS N N 80 123.309 119.771 3.538 1
1 843 . 20 1 1 A 81 81 GLN H H 81 8.329 7.630 0.699 1
1 844 . 20 1 1 A 81 81 GLN HA H 81 4.284 4.944 -0.660 1
1 851 . 20 1 1 A 81 81 GLN C C 81 176.009 174.466 1.543 1
1 852 . 20 1 1 A 81 81 GLN CA C 81 55.952 54.877 1.075 1
1 853 . 20 1 1 A 81 81 GLN CB C 81 29.623 33.099 -3.476 1
1 855 . 20 1 1 A 81 81 GLN N N 81 121.944 117.150 4.794 1
1 857 . 20 1 1 A 82 82 GLU H H 82 8.542 8.662 -0.120 1
1 858 . 20 1 1 A 82 82 GLU HA H 82 4.350 4.666 -0.316 1
1 862 . 20 1 1 A 82 82 GLU C C 82 176.509 176.002 0.507 1
1 863 . 20 1 1 A 82 82 GLU CA C 82 56.675 56.477 0.198 1
1 864 . 20 1 1 A 82 82 GLU CB C 82 30.447 33.198 -2.751 1
1 866 . 20 1 1 A 82 82 GLU N N 82 122.687 123.353 -0.666 1
1 867 . 20 1 1 A 83 83 SER H H 83 8.418 9.052 -0.634 1
1 868 . 20 1 1 A 83 83 SER HA H 83 4.516 4.364 0.152 1
1 871 . 20 1 1 A 83 83 SER C C 83 174.538 174.660 -0.122 1
1 872 . 20 1 1 A 83 83 SER CA C 83 58.403 60.150 -1.747 1
1 873 . 20 1 1 A 83 83 SER CB C 83 64.018 63.846 0.172 1
1 874 . 20 1 1 A 83 83 SER N N 83 116.897 121.963 -5.066 1
1 875 . 20 1 1 A 84 84 GLY H H 84 8.276 7.757 0.519 1
1 876 . 20 1 1 A 84 84 GLY C C 84 171.814 172.989 -1.175 1
1 877 . 20 1 1 A 84 84 GLY CA C 84 44.722 44.784 -0.062 1
1 878 . 20 1 1 A 84 84 GLY N N 84 110.673 107.610 3.063 1
1 879 . 20 1 1 A 85 85 PRO HA H 85 4.497 4.568 -0.071 1
1 885 . 20 1 1 A 85 85 PRO C C 85 177.204 175.202 2.002 1
1 886 . 20 1 1 A 85 85 PRO CA C 85 63.290 62.507 0.783 1
1 887 . 20 1 1 A 85 85 PRO CB C 85 32.228 33.314 -1.086 1
1 890 . 20 1 1 A 86 86 SER H H 86 8.331 8.660 -0.329 1
1 891 . 20 1 1 A 86 86 SER HA H 86 4.339 4.918 -0.579 1
1 892 . 20 1 1 A 86 86 SER C C 86 174.935 172.791 2.144 1
1 893 . 20 1 1 A 86 86 SER CA C 86 61.769 56.707 5.062 1
1 894 . 20 1 1 A 86 86 SER CB C 86 69.836 65.279 4.557 1
1 895 . 20 1 1 A 86 86 SER N N 86 114.681 116.392 -1.711 1
1 896 . 20 1 1 A 87 87 SER H H 87 8.121 8.691 -0.570 1
1 897 . 20 1 1 A 87 87 SER CA C 87 61.963 56.479 5.484 1
1 898 . 20 1 1 A 87 87 SER CB C 87 69.818 65.844 3.974 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 69 1.366 1
2 1 1 1 "RMS(OBS, PRED)" CA 77 1.602 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 2.097 1
4 1 1 1 "RMS(OBS, PRED)" H 68 0.506 1
5 1 1 1 "RMS(OBS, PRED)" HA 78 0.423 1
6 1 1 1 "RMS(OBS, PRED)" N 67 2.757 1
7 1 2 1 "RMS(OBS, PRED)" C 69 1.534 1
8 1 2 1 "RMS(OBS, PRED)" CA 77 1.546 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 2.654 1
10 1 2 1 "RMS(OBS, PRED)" H 68 0.468 1
11 1 2 1 "RMS(OBS, PRED)" HA 78 0.522 1
12 1 2 1 "RMS(OBS, PRED)" N 67 2.810 1
13 1 3 1 "RMS(OBS, PRED)" C 69 1.598 1
14 1 3 1 "RMS(OBS, PRED)" CA 77 1.490 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 1.768 1
16 1 3 1 "RMS(OBS, PRED)" H 68 0.505 1
17 1 3 1 "RMS(OBS, PRED)" HA 78 0.434 1
18 1 3 1 "RMS(OBS, PRED)" N 67 3.126 1
19 1 4 1 "RMS(OBS, PRED)" C 69 1.420 1
20 1 4 1 "RMS(OBS, PRED)" CA 77 1.529 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 2.079 1
22 1 4 1 "RMS(OBS, PRED)" H 68 0.543 1
23 1 4 1 "RMS(OBS, PRED)" HA 78 0.469 1
24 1 4 1 "RMS(OBS, PRED)" N 67 3.296 1
25 1 5 1 "RMS(OBS, PRED)" C 69 1.411 1
26 1 5 1 "RMS(OBS, PRED)" CA 77 1.474 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 1.641 1
28 1 5 1 "RMS(OBS, PRED)" H 68 0.505 1
29 1 5 1 "RMS(OBS, PRED)" HA 78 0.450 1
30 1 5 1 "RMS(OBS, PRED)" N 67 2.927 1
31 1 6 1 "RMS(OBS, PRED)" C 69 1.507 1
32 1 6 1 "RMS(OBS, PRED)" CA 77 1.624 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 2.045 1
34 1 6 1 "RMS(OBS, PRED)" H 68 0.485 1
35 1 6 1 "RMS(OBS, PRED)" HA 78 0.464 1
36 1 6 1 "RMS(OBS, PRED)" N 67 3.062 1
37 1 7 1 "RMS(OBS, PRED)" C 69 1.362 1
38 1 7 1 "RMS(OBS, PRED)" CA 77 1.324 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 2.017 1
40 1 7 1 "RMS(OBS, PRED)" H 68 0.538 1
41 1 7 1 "RMS(OBS, PRED)" HA 78 0.406 1
42 1 7 1 "RMS(OBS, PRED)" N 67 2.853 1
43 1 8 1 "RMS(OBS, PRED)" C 69 1.482 1
44 1 8 1 "RMS(OBS, PRED)" CA 77 1.627 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 2.326 1
46 1 8 1 "RMS(OBS, PRED)" H 68 0.529 1
47 1 8 1 "RMS(OBS, PRED)" HA 78 0.493 1
48 1 8 1 "RMS(OBS, PRED)" N 67 3.197 1
49 1 9 1 "RMS(OBS, PRED)" C 69 1.555 1
50 1 9 1 "RMS(OBS, PRED)" CA 77 1.707 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 2.094 1
52 1 9 1 "RMS(OBS, PRED)" H 68 0.501 1
53 1 9 1 "RMS(OBS, PRED)" HA 78 0.460 1
54 1 9 1 "RMS(OBS, PRED)" N 67 2.880 1
55 1 10 1 "RMS(OBS, PRED)" C 69 1.593 1
56 1 10 1 "RMS(OBS, PRED)" CA 77 1.527 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 2.144 1
58 1 10 1 "RMS(OBS, PRED)" H 68 0.520 1
59 1 10 1 "RMS(OBS, PRED)" HA 78 0.410 1
60 1 10 1 "RMS(OBS, PRED)" N 67 3.123 1
61 1 11 1 "RMS(OBS, PRED)" C 69 1.673 1
62 1 11 1 "RMS(OBS, PRED)" CA 77 1.683 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 2.174 1
64 1 11 1 "RMS(OBS, PRED)" H 68 0.507 1
65 1 11 1 "RMS(OBS, PRED)" HA 78 0.520 1
66 1 11 1 "RMS(OBS, PRED)" N 67 2.778 1
67 1 12 1 "RMS(OBS, PRED)" C 69 1.533 1
68 1 12 1 "RMS(OBS, PRED)" CA 77 1.579 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 1.924 1
70 1 12 1 "RMS(OBS, PRED)" H 68 0.547 1
71 1 12 1 "RMS(OBS, PRED)" HA 78 0.437 1
72 1 12 1 "RMS(OBS, PRED)" N 67 2.834 1
73 1 13 1 "RMS(OBS, PRED)" C 69 1.473 1
74 1 13 1 "RMS(OBS, PRED)" CA 77 1.589 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 2.133 1
76 1 13 1 "RMS(OBS, PRED)" H 68 0.542 1
77 1 13 1 "RMS(OBS, PRED)" HA 78 0.488 1
78 1 13 1 "RMS(OBS, PRED)" N 67 2.911 1
79 1 14 1 "RMS(OBS, PRED)" C 69 1.484 1
80 1 14 1 "RMS(OBS, PRED)" CA 77 1.622 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 2.335 1
82 1 14 1 "RMS(OBS, PRED)" H 68 0.484 1
83 1 14 1 "RMS(OBS, PRED)" HA 78 0.471 1
84 1 14 1 "RMS(OBS, PRED)" N 67 2.842 1
85 1 15 1 "RMS(OBS, PRED)" C 69 1.473 1
86 1 15 1 "RMS(OBS, PRED)" CA 77 1.535 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 2.128 1
88 1 15 1 "RMS(OBS, PRED)" H 68 0.535 1
89 1 15 1 "RMS(OBS, PRED)" HA 78 0.513 1
90 1 15 1 "RMS(OBS, PRED)" N 67 2.986 1
91 1 16 1 "RMS(OBS, PRED)" C 69 1.303 1
92 1 16 1 "RMS(OBS, PRED)" CA 77 1.642 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 2.040 1
94 1 16 1 "RMS(OBS, PRED)" H 68 0.464 1
95 1 16 1 "RMS(OBS, PRED)" HA 78 0.405 1
96 1 16 1 "RMS(OBS, PRED)" N 67 2.782 1
97 1 17 1 "RMS(OBS, PRED)" C 69 1.485 1
98 1 17 1 "RMS(OBS, PRED)" CA 77 1.685 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 2.051 1
100 1 17 1 "RMS(OBS, PRED)" H 68 0.521 1
101 1 17 1 "RMS(OBS, PRED)" HA 78 0.483 1
102 1 17 1 "RMS(OBS, PRED)" N 67 3.112 1
103 1 18 1 "RMS(OBS, PRED)" C 69 1.610 1
104 1 18 1 "RMS(OBS, PRED)" CA 77 1.653 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 2.157 1
106 1 18 1 "RMS(OBS, PRED)" H 68 0.567 1
107 1 18 1 "RMS(OBS, PRED)" HA 78 0.548 1
108 1 18 1 "RMS(OBS, PRED)" N 67 3.172 1
109 1 19 1 "RMS(OBS, PRED)" C 69 1.434 1
110 1 19 1 "RMS(OBS, PRED)" CA 77 1.621 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 1.996 1
112 1 19 1 "RMS(OBS, PRED)" H 68 0.508 1
113 1 19 1 "RMS(OBS, PRED)" HA 78 0.425 1
114 1 19 1 "RMS(OBS, PRED)" N 67 2.890 1
115 1 20 1 "RMS(OBS, PRED)" C 69 1.526 1
116 1 20 1 "RMS(OBS, PRED)" CA 77 1.682 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 2.198 1
118 1 20 1 "RMS(OBS, PRED)" H 68 0.515 1
119 1 20 1 "RMS(OBS, PRED)" HA 78 0.432 1
120 1 20 1 "RMS(OBS, PRED)" N 67 3.072 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.975 4.210 -0.235 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.975 4.211 -0.236 2
1 3 . 1 1 A 7 7 GLY C C 7 174.115 172.725 1.390 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.392 45.202 0.190 2
1 5 . 1 1 A 8 8 LEU H H 8 8.037 8.499 -0.462 2
1 6 . 1 1 A 8 8 LEU HA H 8 4.347 4.866 -0.519 2
1 16 . 1 1 A 8 8 LEU C C 8 177.426 175.195 2.231 2
1 17 . 1 1 A 8 8 LEU CA C 8 55.352 54.329 1.023 2
1 18 . 1 1 A 8 8 LEU CB C 8 42.478 44.769 -2.291 2
1 22 . 1 1 A 8 8 LEU N N 8 121.686 122.147 -0.461 2
1 23 . 1 1 A 9 9 LYS H H 9 8.309 8.530 -0.221 2
1 24 . 1 1 A 9 9 LYS HA H 9 4.319 4.786 -0.467 2
1 29 . 1 1 A 9 9 LYS CA C 9 56.195 55.416 0.779 2
1 30 . 1 1 A 9 9 LYS CB C 9 32.820 35.076 -2.256 2
1 34 . 1 1 A 9 9 LYS N N 9 122.335 122.549 -0.214 2
1 35 . 1 1 A 10 10 ARG HA H 10 4.306 5.041 -0.735 2
1 42 . 1 1 A 10 10 ARG C C 10 175.845 174.325 1.520 2
1 43 . 1 1 A 10 10 ARG CA C 10 56.146 54.628 1.518 2
1 44 . 1 1 A 10 10 ARG CB C 10 31.005 33.479 -2.474 2
1 47 . 1 1 A 11 11 ASP H H 11 8.293 8.852 -0.559 2
1 48 . 1 1 A 11 11 ASP HA H 11 4.582 5.293 -0.712 2
1 51 . 1 1 A 11 11 ASP C C 11 175.382 175.006 0.376 2
1 52 . 1 1 A 11 11 ASP CA C 11 54.612 53.180 1.432 2
1 53 . 1 1 A 11 11 ASP CB C 11 41.572 43.781 -2.209 2
1 54 . 1 1 A 11 11 ASP N N 11 120.563 121.375 -0.812 2
1 55 . 1 1 A 12 12 PHE H H 12 7.961 8.630 -0.669 2
1 56 . 1 1 A 12 12 PHE HA H 12 4.758 5.271 -0.513 2
1 63 . 1 1 A 12 12 PHE C C 12 175.068 173.723 1.345 2
1 64 . 1 1 A 12 12 PHE CA C 12 58.990 56.014 2.976 2
1 65 . 1 1 A 12 12 PHE CB C 12 40.037 41.670 -1.633 2
1 70 . 1 1 A 12 12 PHE N N 12 118.808 117.315 1.493 2
1 71 . 1 1 A 13 13 ILE H H 13 8.167 8.757 -0.590 2
1 72 . 1 1 A 13 13 ILE HA H 13 4.167 4.652 -0.485 2
1 82 . 1 1 A 13 13 ILE C C 13 175.712 174.917 0.795 2
1 83 . 1 1 A 13 13 ILE CA C 13 60.976 60.279 0.697 2
1 84 . 1 1 A 13 13 ILE CB C 13 39.277 40.548 -1.271 2
1 88 . 1 1 A 13 13 ILE N N 13 122.190 119.514 2.676 2
1 89 . 1 1 A 14 14 ILE H H 14 8.287 8.714 -0.427 2
1 90 . 1 1 A 14 14 ILE HA H 14 4.163 4.654 -0.491 2
1 100 . 1 1 A 14 14 ILE C C 14 176.116 175.248 0.869 2
1 101 . 1 1 A 14 14 ILE CA C 14 61.142 60.549 0.593 2
1 102 . 1 1 A 14 14 ILE CB C 14 38.438 39.496 -1.058 2
1 106 . 1 1 A 14 14 ILE N N 14 125.550 126.718 -1.168 2
1 107 . 1 1 A 15 15 LEU H H 15 8.398 8.741 -0.343 2
1 108 . 1 1 A 15 15 LEU HA H 15 4.397 4.834 -0.437 2
1 118 . 1 1 A 15 15 LEU C C 15 177.749 176.448 1.301 2
1 119 . 1 1 A 15 15 LEU CA C 15 55.123 53.754 1.369 2
1 120 . 1 1 A 15 15 LEU CB C 15 42.560 43.848 -1.288 2
1 124 . 1 1 A 15 15 LEU N N 15 127.408 126.041 1.367 2
1 125 . 1 1 A 16 16 GLY H H 16 8.347 8.474 -0.127 2
1 126 . 1 1 A 16 16 GLY HA2 H 16 3.964 4.127 -0.163 2
1 127 . 1 1 A 16 16 GLY HA3 H 16 3.964 4.129 -0.165 2
1 128 . 1 1 A 16 16 GLY C C 16 172.979 173.429 -0.450 2
1 129 . 1 1 A 16 16 GLY CA C 16 45.286 45.723 -0.437 2
1 130 . 1 1 A 16 16 GLY N N 16 109.546 109.371 0.175 2
1 131 . 1 1 A 17 17 ASN H H 17 7.974 8.470 -0.496 2
1 132 . 1 1 A 17 17 ASN HA H 17 4.577 5.128 -0.551 2
1 137 . 1 1 A 17 17 ASN C C 17 175.869 174.695 1.174 2
1 138 . 1 1 A 17 17 ASN CA C 17 54.665 52.874 1.791 2
1 139 . 1 1 A 17 17 ASN CB C 17 40.830 40.679 0.151 2
1 140 . 1 1 A 17 17 ASN N N 17 124.057 119.130 4.927 2
1 142 . 1 1 A 18 18 GLY H H 18 8.150 8.403 -0.253 2
1 143 . 1 1 A 18 18 GLY HA2 H 18 4.073 4.144 -0.071 2
1 144 . 1 1 A 18 18 GLY HA3 H 18 4.073 4.145 -0.072 2
1 145 . 1 1 A 18 18 GLY C C 18 172.372 172.873 -0.500 2
1 146 . 1 1 A 18 18 GLY CA C 18 44.898 45.015 -0.117 2
1 147 . 1 1 A 18 18 GLY N N 18 113.988 109.106 4.882 2
1 148 . 1 1 A 19 19 PRO HA H 19 4.441 4.621 -0.180 2
1 155 . 1 1 A 19 19 PRO C C 19 177.039 176.463 0.576 2
1 156 . 1 1 A 19 19 PRO CA C 19 63.268 62.951 0.317 2
1 157 . 1 1 A 19 19 PRO CB C 19 32.159 31.721 0.438 2
1 160 . 1 1 A 20 20 ARG H H 20 8.414 8.541 -0.127 2
1 161 . 1 1 A 20 20 ARG HA H 20 4.339 4.454 -0.115 2
1 167 . 1 1 A 20 20 ARG C C 20 176.312 175.736 0.576 2
1 168 . 1 1 A 20 20 ARG CA C 20 56.111 56.310 -0.199 2
1 169 . 1 1 A 20 20 ARG CB C 20 30.612 31.277 -0.665 2
1 172 . 1 1 A 20 20 ARG N N 20 120.839 121.462 -0.623 2
1 173 . 1 1 A 21 21 LEU H H 21 8.306 8.165 0.141 2
1 174 . 1 1 A 21 21 LEU HA H 21 4.405 4.522 -0.117 2
1 183 . 1 1 A 21 21 LEU C C 21 177.403 176.086 1.317 2
1 184 . 1 1 A 21 21 LEU CA C 21 55.141 54.690 0.451 2
1 185 . 1 1 A 21 21 LEU CB C 21 42.190 42.981 -0.791 2
1 189 . 1 1 A 21 21 LEU N N 21 123.561 122.170 1.391 2
1 190 . 1 1 A 22 22 GLN H H 22 8.406 8.565 -0.159 2
1 191 . 1 1 A 22 22 GLN HA H 22 4.336 4.647 -0.311 2
1 198 . 1 1 A 22 22 GLN C C 22 175.699 175.053 0.646 2
1 199 . 1 1 A 22 22 GLN CA C 22 56.181 55.412 0.769 2
1 200 . 1 1 A 22 22 GLN CB C 22 29.492 29.965 -0.473 2
1 202 . 1 1 A 22 22 GLN N N 22 120.835 122.560 -1.725 2
1 204 . 1 1 A 24 24 SER HA H 24 4.451 4.588 -0.137 2
1 207 . 1 1 A 24 24 SER C C 24 173.514 173.984 -0.470 2
1 208 . 1 1 A 24 24 SER CA C 24 58.579 58.479 0.100 2
1 209 . 1 1 A 24 24 SER CB C 24 63.967 63.188 0.779 2
1 210 . 1 1 A 25 25 THR H H 25 7.806 8.250 -0.444 2
1 211 . 1 1 A 25 25 THR HA H 25 4.348 5.120 -0.772 2
1 216 . 1 1 A 25 25 THR C C 25 173.359 173.629 -0.270 2
1 217 . 1 1 A 25 25 THR CA C 25 61.593 61.185 0.408 2
1 218 . 1 1 A 25 25 THR CB C 25 70.716 70.651 0.065 2
1 220 . 1 1 A 25 25 THR N N 25 114.185 115.754 -1.569 2
1 221 . 1 1 A 26 26 TYR H H 26 8.598 9.494 -0.896 2
1 222 . 1 1 A 26 26 TYR HA H 26 4.670 5.029 -0.358 2
1 229 . 1 1 A 26 26 TYR C C 26 174.444 175.071 -0.627 2
1 230 . 1 1 A 26 26 TYR CA C 26 56.798 57.195 -0.397 2
1 231 . 1 1 A 26 26 TYR CB C 26 39.717 39.667 0.050 2
1 236 . 1 1 A 26 26 TYR N N 26 121.326 122.761 -1.435 2
1 237 . 1 1 A 27 27 GLN H H 27 8.528 8.741 -0.213 2
1 238 . 1 1 A 27 27 GLN HA H 27 4.670 4.911 -0.241 2
1 245 . 1 1 A 27 27 GLN C C 27 175.055 175.295 -0.240 2
1 246 . 1 1 A 27 27 GLN CA C 27 54.718 54.929 -0.211 2
1 247 . 1 1 A 27 27 GLN CB C 27 30.938 29.227 1.711 2
1 249 . 1 1 A 27 27 GLN N N 27 123.045 124.026 -0.981 2
1 251 . 1 1 A 28 28 CYS H H 28 8.682 8.448 0.234 2
1 252 . 1 1 A 28 28 CYS HA H 28 4.331 4.521 -0.190 2
1 255 . 1 1 A 28 28 CYS C C 28 176.610 176.516 0.094 2
1 256 . 1 1 A 28 28 CYS CA C 28 60.394 59.896 0.498 2
1 257 . 1 1 A 28 28 CYS CB C 28 29.850 28.683 1.167 2
1 258 . 1 1 A 28 28 CYS N N 28 129.276 125.882 3.394 2
1 259 . 1 1 A 29 29 LYS H H 29 8.454 8.582 -0.128 2
1 260 . 1 1 A 29 29 LYS HA H 29 4.257 4.457 -0.200 2
1 269 . 1 1 A 29 29 LYS C C 29 176.581 176.177 0.404 2
1 270 . 1 1 A 29 29 LYS CA C 29 57.584 57.113 0.471 2
1 271 . 1 1 A 29 29 LYS CB C 29 32.145 32.400 -0.255 2
1 275 . 1 1 A 29 29 LYS N N 29 127.445 123.266 4.179 2
1 276 . 1 1 A 30 30 HIS H H 30 9.625 7.980 1.645 2
1 277 . 1 1 A 30 30 HIS HA H 30 4.608 4.558 0.050 2
1 281 . 1 1 A 30 30 HIS C C 30 175.524 176.477 -0.953 2
1 282 . 1 1 A 30 30 HIS CA C 30 56.956 57.390 -0.434 2
1 283 . 1 1 A 30 30 HIS CB C 30 30.732 31.345 -0.613 2
1 285 . 1 1 A 30 30 HIS N N 30 121.657 116.707 4.950 2
1 286 . 1 1 A 31 31 CYS H H 31 8.086 8.098 -0.012 2
1 287 . 1 1 A 31 31 CYS HA H 31 5.078 4.553 0.525 2
1 290 . 1 1 A 31 31 CYS C C 31 173.769 174.524 -0.755 2
1 291 . 1 1 A 31 31 CYS CA C 31 58.349 58.366 -0.017 2
1 292 . 1 1 A 31 31 CYS CB C 31 31.268 29.705 1.563 2
1 293 . 1 1 A 31 31 CYS N N 31 118.457 113.487 4.970 2
1 294 . 1 1 A 32 32 ASP H H 32 8.135 8.175 -0.040 2
1 295 . 1 1 A 32 32 ASP HA H 32 4.637 4.516 0.121 2
1 298 . 1 1 A 32 32 ASP C C 32 176.540 175.106 1.434 2
1 299 . 1 1 A 32 32 ASP CA C 32 55.687 55.419 0.268 2
1 300 . 1 1 A 32 32 ASP CB C 32 40.418 39.196 1.222 2
1 301 . 1 1 A 32 32 ASP N N 32 116.820 119.099 -2.279 2
1 302 . 1 1 A 33 33 SER H H 33 8.667 7.910 0.757 2
1 303 . 1 1 A 33 33 SER HA H 33 4.267 4.692 -0.425 2
1 306 . 1 1 A 33 33 SER C C 33 172.462 173.070 -0.608 2
1 307 . 1 1 A 33 33 SER CA C 33 61.452 56.799 4.653 2
1 308 . 1 1 A 33 33 SER CB C 33 63.893 65.269 -1.376 2
1 309 . 1 1 A 33 33 SER N N 33 119.488 112.938 6.550 2
1 310 . 1 1 A 34 34 LYS H H 34 8.389 8.357 0.032 2
1 311 . 1 1 A 34 34 LYS HA H 34 4.747 5.361 -0.614 2
1 320 . 1 1 A 34 34 LYS C C 34 175.517 175.230 0.287 2
1 321 . 1 1 A 34 34 LYS CA C 34 55.476 54.801 0.675 2
1 322 . 1 1 A 34 34 LYS CB C 34 33.526 35.222 -1.696 2
1 326 . 1 1 A 34 34 LYS N N 34 122.954 120.825 2.129 2
1 327 . 1 1 A 35 35 LEU H H 35 8.825 8.724 0.101 2
1 328 . 1 1 A 35 35 LEU HA H 35 4.847 4.842 0.005 2
1 338 . 1 1 A 35 35 LEU C C 35 177.476 177.357 0.119 2
1 339 . 1 1 A 35 35 LEU CA C 35 52.673 53.202 -0.529 2
1 340 . 1 1 A 35 35 LEU CB C 35 42.115 44.638 -2.523 2
1 344 . 1 1 A 35 35 LEU N N 35 126.489 125.709 0.780 2
1 345 . 1 1 A 36 36 GLN H H 36 8.883 8.618 0.265 2
1 346 . 1 1 A 36 36 GLN HA H 36 4.565 4.126 0.439 2
1 353 . 1 1 A 36 36 GLN C C 36 175.227 175.644 -0.417 2
1 354 . 1 1 A 36 36 GLN CA C 36 56.763 58.436 -1.673 2
1 355 . 1 1 A 36 36 GLN CB C 36 30.225 29.456 0.769 2
1 357 . 1 1 A 36 36 GLN N N 36 116.410 122.032 -5.622 2
1 359 . 1 1 A 37 37 SER H H 37 7.345 7.571 -0.226 2
1 360 . 1 1 A 37 37 SER HA H 37 4.569 3.852 0.717 2
1 363 . 1 1 A 37 37 SER C C 37 179.414 173.417 5.997 2
1 364 . 1 1 A 37 37 SER CA C 37 56.780 56.434 0.346 2
1 365 . 1 1 A 37 37 SER CB C 37 66.444 65.844 0.600 2
1 366 . 1 1 A 37 37 SER N N 37 110.125 111.744 -1.619 2
1 367 . 1 1 A 38 38 THR H H 38 8.099 8.228 -0.129 2
1 368 . 1 1 A 38 38 THR HA H 38 3.627 3.664 -0.037 2
1 373 . 1 1 A 38 38 THR CA C 38 65.831 66.159 -0.328 2
1 374 . 1 1 A 38 38 THR CB C 38 68.118 68.790 -0.672 2
1 376 . 1 1 A 38 38 THR N N 38 121.696 117.178 4.518 2
1 377 . 1 1 A 39 39 ALA HA H 39 4.155 3.999 0.156 2
1 381 . 1 1 A 39 39 ALA C C 39 180.623 179.417 1.206 2
1 382 . 1 1 A 39 39 ALA CA C 39 55.406 55.334 0.072 2
1 383 . 1 1 A 39 39 ALA CB C 39 18.098 18.564 -0.466 2
1 384 . 1 1 A 40 40 GLU H H 40 7.881 7.868 0.013 2
1 385 . 1 1 A 40 40 GLU HA H 40 4.114 4.134 -0.020 2
1 390 . 1 1 A 40 40 GLU C C 40 179.352 178.913 0.439 2
1 391 . 1 1 A 40 40 GLU CA C 40 58.914 58.982 -0.068 2
1 392 . 1 1 A 40 40 GLU CB C 40 30.822 29.846 0.976 2
1 394 . 1 1 A 40 40 GLU N N 40 118.475 117.833 0.642 2
1 395 . 1 1 A 41 41 LEU H H 41 8.096 7.862 0.234 2
1 396 . 1 1 A 41 41 LEU HA H 41 4.115 4.080 0.035 2
1 406 . 1 1 A 41 41 LEU C C 41 177.620 178.769 -1.149 2
1 407 . 1 1 A 41 41 LEU CA C 41 58.841 58.037 0.804 2
1 408 . 1 1 A 41 41 LEU CB C 41 41.442 41.633 -0.191 2
1 412 . 1 1 A 41 41 LEU N N 41 121.715 122.298 -0.583 2
1 413 . 1 1 A 42 42 THR H H 42 8.599 8.336 0.263 2
1 414 . 1 1 A 42 42 THR HA H 42 3.860 3.927 -0.067 2
1 419 . 1 1 A 42 42 THR C C 42 176.761 176.425 0.336 2
1 420 . 1 1 A 42 42 THR CA C 42 67.345 66.137 1.208 2
1 421 . 1 1 A 42 42 THR CB C 42 68.758 68.657 0.101 2
1 423 . 1 1 A 42 42 THR N N 42 115.801 115.123 0.678 2
1 424 . 1 1 A 43 43 SER H H 43 7.833 7.915 -0.082 2
1 425 . 1 1 A 43 43 SER HA H 43 4.251 4.303 -0.052 2
1 428 . 1 1 A 43 43 SER C C 43 176.836 176.428 0.408 2
1 429 . 1 1 A 43 43 SER CA C 43 61.646 61.571 0.075 2
1 430 . 1 1 A 43 43 SER CB C 43 62.750 63.227 -0.477 2
1 431 . 1 1 A 43 43 SER N N 43 115.657 117.039 -1.382 2
1 432 . 1 1 A 44 44 HIS H H 44 8.415 8.302 0.113 2
1 433 . 1 1 A 44 44 HIS HA H 44 4.182 4.157 0.025 2
1 438 . 1 1 A 44 44 HIS C C 44 177.125 176.997 0.128 2
1 439 . 1 1 A 44 44 HIS CA C 44 60.094 60.045 0.049 2
1 440 . 1 1 A 44 44 HIS CB C 44 28.846 30.028 -1.182 2
1 443 . 1 1 A 44 44 HIS N N 44 122.271 121.983 0.288 2
1 444 . 1 1 A 45 45 LEU H H 45 8.854 8.858 -0.004 2
1 445 . 1 1 A 45 45 LEU HA H 45 4.100 3.654 0.446 2
1 455 . 1 1 A 45 45 LEU C C 45 179.448 178.798 0.650 2
1 456 . 1 1 A 45 45 LEU CA C 45 58.297 58.102 0.195 2
1 457 . 1 1 A 45 45 LEU CB C 45 41.666 41.260 0.406 2
1 461 . 1 1 A 45 45 LEU N N 45 118.289 119.710 -1.421 2
1 462 . 1 1 A 46 46 ASN H H 46 7.730 8.329 -0.599 2
1 463 . 1 1 A 46 46 ASN HA H 46 4.502 4.471 0.031 2
1 468 . 1 1 A 46 46 ASN C C 46 177.759 177.971 -0.212 2
1 469 . 1 1 A 46 46 ASN CA C 46 56.163 56.443 -0.280 2
1 470 . 1 1 A 46 46 ASN CB C 46 38.069 37.928 0.141 2
1 471 . 1 1 A 46 46 ASN N N 46 117.155 116.773 0.382 2
1 473 . 1 1 A 47 47 ILE H H 47 7.670 7.765 -0.095 2
1 474 . 1 1 A 47 47 ILE HA H 47 3.787 3.688 0.099 2
1 484 . 1 1 A 47 47 ILE C C 47 178.447 178.200 0.247 2
1 485 . 1 1 A 47 47 ILE CA C 47 64.273 65.139 -0.866 2
1 486 . 1 1 A 47 47 ILE CB C 47 37.214 37.598 -0.384 2
1 490 . 1 1 A 47 47 ILE N N 47 119.392 119.611 -0.219 2
1 491 . 1 1 A 48 48 HIS H H 48 6.999 7.973 -0.974 2
1 492 . 1 1 A 48 48 HIS HA H 48 4.437 4.253 0.184 2
1 497 . 1 1 A 48 48 HIS C C 48 175.932 177.777 -1.845 2
1 498 . 1 1 A 48 48 HIS CA C 48 56.855 59.667 -2.812 2
1 499 . 1 1 A 48 48 HIS CB C 48 27.971 29.755 -1.784 2
1 502 . 1 1 A 48 48 HIS N N 48 116.931 119.320 -2.389 2
1 503 . 1 1 A 49 49 ASN H H 49 8.059 8.088 -0.029 2
1 504 . 1 1 A 49 49 ASN HA H 49 4.555 4.328 0.227 2
1 509 . 1 1 A 49 49 ASN C C 49 177.139 177.990 -0.851 2
1 510 . 1 1 A 49 49 ASN CA C 49 55.552 56.392 -0.840 2
1 511 . 1 1 A 49 49 ASN CB C 49 38.495 37.950 0.544 2
1 512 . 1 1 A 49 49 ASN N N 49 118.208 117.010 1.198 2
1 514 . 1 1 A 50 50 GLU H H 50 8.336 8.495 -0.159 2
1 515 . 1 1 A 50 50 GLU HA H 50 4.090 4.063 0.027 2
1 520 . 1 1 A 50 50 GLU C C 50 178.637 179.062 -0.425 2
1 521 . 1 1 A 50 50 GLU CA C 50 59.246 59.566 -0.320 2
1 522 . 1 1 A 50 50 GLU CB C 50 29.582 29.297 0.285 2
1 524 . 1 1 A 50 50 GLU N N 50 121.316 118.590 2.726 2
1 525 . 1 1 A 51 51 GLU H H 51 7.932 8.015 -0.083 2
1 526 . 1 1 A 51 51 GLU HA H 51 4.093 4.056 0.037 2
1 531 . 1 1 A 51 51 GLU C C 51 179.088 179.021 0.067 2
1 532 . 1 1 A 51 51 GLU CA C 51 59.037 59.142 -0.105 2
1 533 . 1 1 A 51 51 GLU CB C 51 29.183 29.522 -0.339 2
1 535 . 1 1 A 51 51 GLU N N 51 120.058 120.021 0.037 2
1 536 . 1 1 A 52 52 PHE H H 52 8.345 8.503 -0.158 2
1 537 . 1 1 A 52 52 PHE HA H 52 4.411 4.161 0.250 2
1 545 . 1 1 A 52 52 PHE C C 52 178.654 177.420 1.234 2
1 546 . 1 1 A 52 52 PHE CA C 52 59.523 61.606 -2.083 2
1 547 . 1 1 A 52 52 PHE CB C 52 38.261 39.239 -0.978 2
1 553 . 1 1 A 52 52 PHE N N 52 119.698 121.420 -1.722 2
1 554 . 1 1 A 53 53 GLN H H 53 8.197 8.212 -0.015 2
1 555 . 1 1 A 53 53 GLN HA H 53 4.153 3.887 0.266 2
1 562 . 1 1 A 53 53 GLN C C 53 178.059 178.339 -0.280 2
1 563 . 1 1 A 53 53 GLN CA C 53 58.120 59.188 -1.068 2
1 564 . 1 1 A 53 53 GLN CB C 53 28.591 28.470 0.121 2
1 566 . 1 1 A 53 53 GLN N N 53 118.967 117.979 0.988 2
1 568 . 1 1 A 54 54 LYS H H 54 8.008 7.799 0.209 2
1 569 . 1 1 A 54 54 LYS HA H 54 4.118 3.973 0.145 2
1 577 . 1 1 A 54 54 LYS C C 54 178.686 178.819 -0.133 2
1 578 . 1 1 A 54 54 LYS CA C 54 59.002 59.700 -0.698 2
1 579 . 1 1 A 54 54 LYS CB C 54 32.608 32.274 0.334 2
1 583 . 1 1 A 54 54 LYS N N 54 119.791 119.651 0.140 2
1 584 . 1 1 A 55 55 ARG H H 55 7.978 7.854 0.124 2
1 585 . 1 1 A 55 55 ARG HA H 55 4.136 4.010 0.126 2
1 592 . 1 1 A 55 55 ARG C C 55 177.610 176.956 0.654 2
1 593 . 1 1 A 55 55 ARG CA C 55 58.183 59.189 -1.006 2
1 594 . 1 1 A 55 55 ARG CB C 55 30.410 29.900 0.510 2
1 597 . 1 1 A 55 55 ARG N N 55 119.619 119.425 0.194 2
1 598 . 1 1 A 56 56 ALA H H 56 8.008 7.656 0.352 2
1 599 . 1 1 A 56 56 ALA HA H 56 4.196 4.024 0.172 2
1 603 . 1 1 A 56 56 ALA C C 56 179.269 176.962 2.307 2
1 604 . 1 1 A 56 56 ALA CA C 56 53.930 52.802 1.128 2
1 605 . 1 1 A 56 56 ALA CB C 56 18.539 17.729 0.810 2
1 606 . 1 1 A 56 56 ALA N N 56 122.850 120.211 2.639 2
1 607 . 1 1 A 57 57 LYS H H 57 8.014 7.854 0.160 2
1 608 . 1 1 A 57 57 LYS HA H 57 4.225 4.389 -0.164 2
1 617 . 1 1 A 57 57 LYS C C 57 177.892 176.354 1.538 2
1 618 . 1 1 A 57 57 LYS CA C 57 57.504 56.347 1.157 2
1 619 . 1 1 A 57 57 LYS CB C 57 32.646 33.358 -0.712 2
1 623 . 1 1 A 57 57 LYS N N 57 118.986 118.091 0.895 2
1 624 . 1 1 A 58 58 ARG H H 58 8.039 8.239 -0.200 2
1 625 . 1 1 A 58 58 ARG HA H 58 4.229 4.356 -0.127 2
1 632 . 1 1 A 58 58 ARG C C 58 177.156 175.997 1.159 2
1 633 . 1 1 A 58 58 ARG CA C 58 57.425 56.801 0.624 2
1 634 . 1 1 A 58 58 ARG CB C 58 30.561 31.182 -0.621 2
1 637 . 1 1 A 58 58 ARG N N 58 120.747 121.487 -0.740 2
1 638 . 1 1 A 59 59 GLN H H 59 8.195 8.222 -0.027 2
1 639 . 1 1 A 59 59 GLN HA H 59 4.228 4.408 -0.180 2
1 644 . 1 1 A 59 59 GLN CA C 59 57.412 55.667 1.745 2
1 645 . 1 1 A 59 59 GLN CB C 59 32.773 29.489 3.284 2
1 647 . 1 1 A 59 59 GLN N N 59 121.145 120.205 0.940 2
1 648 . 1 1 A 60 60 GLU HA H 60 4.256 4.491 -0.235 2
1 653 . 1 1 A 60 60 GLU CA C 60 56.093 56.372 -0.279 2
1 654 . 1 1 A 60 60 GLU CB C 60 29.429 30.542 -1.113 2
1 656 . 1 1 A 63 63 LYS HA H 63 4.263 4.701 -0.438 2
1 663 . 1 1 A 63 63 LYS CA C 63 56.908 55.588 1.320 2
1 664 . 1 1 A 63 63 LYS CB C 63 32.778 35.092 -2.314 2
1 665 . 1 1 A 64 64 GLN H H 64 8.261 8.518 -0.257 2
1 666 . 1 1 A 64 64 GLN HA H 64 4.253 4.668 -0.415 2
1 673 . 1 1 A 64 64 GLN C C 64 176.687 175.088 1.599 2
1 674 . 1 1 A 64 64 GLN CA C 64 56.780 55.335 1.445 2
1 675 . 1 1 A 64 64 GLN CB C 64 29.198 30.433 -1.235 2
1 677 . 1 1 A 64 64 GLN N N 64 120.299 121.087 -0.788 2
1 679 . 1 1 A 65 65 LEU H H 65 8.190 8.483 -0.293 2
1 680 . 1 1 A 65 65 LEU HA H 65 4.306 4.745 -0.439 2
1 690 . 1 1 A 65 65 LEU C C 65 177.894 176.023 1.871 2
1 691 . 1 1 A 65 65 LEU CA C 65 55.952 54.181 1.771 2
1 692 . 1 1 A 65 65 LEU CB C 65 42.313 44.163 -1.850 2
1 696 . 1 1 A 65 65 LEU N N 65 122.723 122.023 0.700 2
1 697 . 1 1 A 66 66 LEU H H 66 8.165 8.499 -0.334 2
1 698 . 1 1 A 66 66 LEU HA H 66 4.305 4.812 -0.507 2
1 708 . 1 1 A 66 66 LEU C C 66 177.867 175.881 1.986 2
1 709 . 1 1 A 66 66 LEU CA C 66 55.775 54.086 1.689 2
1 710 . 1 1 A 66 66 LEU CB C 66 42.336 44.133 -1.797 2
1 714 . 1 1 A 66 66 LEU N N 66 121.812 122.231 -0.419 2
1 715 . 1 1 A 67 67 SER H H 67 8.104 8.629 -0.525 2
1 716 . 1 1 A 67 67 SER CA C 67 58.896 57.490 1.406 2
1 717 . 1 1 A 67 67 SER CB C 67 63.674 65.498 -1.824 2
1 718 . 1 1 A 67 67 SER N N 67 115.632 117.140 -1.508 2
1 719 . 1 1 A 69 69 GLN HA H 69 4.221 4.892 -0.671 2
1 724 . 1 1 A 69 69 GLN CA C 69 57.547 54.864 2.683 2
1 725 . 1 1 A 69 69 GLN CB C 69 30.314 31.910 -1.596 2
1 727 . 1 1 A 70 70 LYS H H 70 8.255 8.621 -0.366 2
1 728 . 1 1 A 70 70 LYS HA H 70 4.220 4.965 -0.745 2
1 737 . 1 1 A 70 70 LYS C C 70 176.303 174.724 1.579 2
1 738 . 1 1 A 70 70 LYS CA C 70 56.639 55.257 1.382 2
1 739 . 1 1 A 70 70 LYS CB C 70 33.080 35.841 -2.761 2
1 743 . 1 1 A 70 70 LYS N N 70 121.417 121.917 -0.500 2
1 744 . 1 1 A 71 71 TYR H H 71 8.142 8.669 -0.527 2
1 745 . 1 1 A 71 71 TYR HA H 71 4.571 5.158 -0.587 2
1 752 . 1 1 A 71 71 TYR C C 71 175.736 174.047 1.689 2
1 753 . 1 1 A 71 71 TYR CA C 71 57.768 56.836 0.932 2
1 754 . 1 1 A 71 71 TYR CB C 71 38.894 41.256 -2.362 2
1 759 . 1 1 A 71 71 TYR N N 71 120.561 119.388 1.173 2
1 760 . 1 1 A 72 72 ALA H H 72 8.237 8.535 -0.298 2
1 761 . 1 1 A 72 72 ALA HA H 72 4.292 4.814 -0.522 2
1 765 . 1 1 A 72 72 ALA C C 72 177.276 175.947 1.329 2
1 766 . 1 1 A 72 72 ALA CA C 72 52.642 51.507 1.135 2
1 767 . 1 1 A 72 72 ALA CB C 72 19.405 22.466 -3.061 2
1 768 . 1 1 A 72 72 ALA N N 72 125.192 122.614 2.578 2
1 769 . 1 1 A 73 73 ASP H H 73 8.220 8.758 -0.538 2
1 770 . 1 1 A 73 73 ASP HA H 73 4.549 5.091 -0.542 2
1 773 . 1 1 A 73 73 ASP C C 73 176.922 175.448 1.474 2
1 774 . 1 1 A 73 73 ASP CA C 73 54.682 53.778 0.904 2
1 775 . 1 1 A 73 73 ASP CB C 73 41.239 43.836 -2.597 2
1 776 . 1 1 A 73 73 ASP N N 73 119.269 118.834 0.435 2
1 777 . 1 1 A 74 74 GLY H H 74 8.269 8.231 0.038 2
1 778 . 1 1 A 74 74 GLY HA2 H 74 3.963 4.149 -0.186 2
1 779 . 1 1 A 74 74 GLY HA3 H 74 3.879 4.169 -0.290 2
1 780 . 1 1 A 74 74 GLY C C 74 174.132 172.918 1.214 2
1 781 . 1 1 A 74 74 GLY CA C 74 45.551 45.308 0.243 2
1 782 . 1 1 A 74 74 GLY N N 74 109.209 107.368 1.841 2
1 783 . 1 1 A 75 75 ALA H H 75 8.048 8.349 -0.301 2
1 784 . 1 1 A 75 75 ALA HA H 75 4.221 4.761 -0.540 2
1 788 . 1 1 A 75 75 ALA C C 75 177.507 175.890 1.617 2
1 789 . 1 1 A 75 75 ALA CA C 75 52.638 51.957 0.681 2
1 790 . 1 1 A 75 75 ALA CB C 75 19.281 21.961 -2.680 2
1 791 . 1 1 A 75 75 ALA N N 75 123.382 122.498 0.884 2
1 792 . 1 1 A 76 76 PHE H H 76 8.126 8.516 -0.390 2
1 793 . 1 1 A 76 76 PHE HA H 76 4.541 5.058 -0.517 2
1 798 . 1 1 A 76 76 PHE C C 76 175.620 174.230 1.390 2
1 799 . 1 1 A 76 76 PHE CA C 76 57.733 57.107 0.626 2
1 800 . 1 1 A 76 76 PHE CB C 76 39.429 41.918 -2.489 2
1 801 . 1 1 A 76 76 PHE N N 76 118.540 117.858 0.682 2
1 802 . 1 1 A 77 77 ALA H H 77 8.017 8.253 -0.236 2
1 803 . 1 1 A 77 77 ALA HA H 77 4.207 4.806 -0.599 2
1 807 . 1 1 A 77 77 ALA C C 77 176.990 175.612 1.378 2
1 808 . 1 1 A 77 77 ALA CA C 77 52.602 51.607 0.995 2
1 809 . 1 1 A 77 77 ALA CB C 77 19.528 22.506 -2.978 2
1 810 . 1 1 A 77 77 ALA N N 77 124.826 123.629 1.197 2
1 811 . 1 1 A 78 78 ASP H H 78 8.061 8.607 -0.546 2
1 812 . 1 1 A 78 78 ASP HA H 78 4.538 5.228 -0.690 2
1 815 . 1 1 A 78 78 ASP C C 78 175.908 174.404 1.504 2
1 816 . 1 1 A 78 78 ASP CA C 78 54.189 53.187 1.002 2
1 817 . 1 1 A 78 78 ASP CB C 78 41.242 44.255 -3.013 2
1 818 . 1 1 A 78 78 ASP N N 78 119.019 118.402 0.617 2
1 819 . 1 1 A 79 79 PHE H H 79 8.023 8.652 -0.629 2
1 820 . 1 1 A 79 79 PHE HA H 79 4.586 5.101 -0.515 2
1 825 . 1 1 A 79 79 PHE C C 79 175.551 173.905 1.647 2
1 826 . 1 1 A 79 79 PHE CA C 79 57.891 56.856 1.035 2
1 827 . 1 1 A 79 79 PHE CB C 79 39.484 42.009 -2.525 2
1 828 . 1 1 A 79 79 PHE N N 79 120.449 118.781 1.668 2
1 829 . 1 1 A 80 80 LYS H H 80 8.161 8.576 -0.415 2
1 830 . 1 1 A 80 80 LYS HA H 80 4.251 4.695 -0.444 2
1 836 . 1 1 A 80 80 LYS C C 80 176.027 175.371 0.656 2
1 837 . 1 1 A 80 80 LYS CA C 80 56.233 55.584 0.649 2
1 838 . 1 1 A 80 80 LYS CB C 80 33.084 35.200 -2.116 2
1 842 . 1 1 A 80 80 LYS N N 80 123.309 121.726 1.583 2
1 843 . 1 1 A 81 81 GLN H H 81 8.329 8.500 -0.171 2
1 844 . 1 1 A 81 81 GLN HA H 81 4.284 4.716 -0.432 2
1 851 . 1 1 A 81 81 GLN C C 81 176.009 174.883 1.126 2
1 852 . 1 1 A 81 81 GLN CA C 81 55.952 55.385 0.567 2
1 853 . 1 1 A 81 81 GLN CB C 81 29.623 31.322 -1.699 2
1 855 . 1 1 A 81 81 GLN N N 81 121.944 121.542 0.402 2
1 857 . 1 1 A 82 82 GLU H H 82 8.542 8.502 0.040 2
1 858 . 1 1 A 82 82 GLU HA H 82 4.350 4.726 -0.376 2
1 862 . 1 1 A 82 82 GLU C C 82 176.509 175.488 1.021 2
1 863 . 1 1 A 82 82 GLU CA C 82 56.675 55.786 0.889 2
1 864 . 1 1 A 82 82 GLU CB C 82 30.447 31.860 -1.413 2
1 866 . 1 1 A 82 82 GLU N N 82 122.687 121.798 0.889 2
1 867 . 1 1 A 83 83 SER H H 83 8.418 8.523 -0.105 2
1 868 . 1 1 A 83 83 SER HA H 83 4.516 4.856 -0.340 2
1 871 . 1 1 A 83 83 SER C C 83 174.538 174.006 0.532 2
1 872 . 1 1 A 83 83 SER CA C 83 58.403 57.779 0.624 2
1 873 . 1 1 A 83 83 SER CB C 83 64.018 65.348 -1.330 2
1 874 . 1 1 A 83 83 SER N N 83 116.897 116.700 0.197 2
1 875 . 1 1 A 84 84 GLY H H 84 8.276 8.307 -0.031 2
1 876 . 1 1 A 84 84 GLY C C 84 171.814 172.397 -0.583 2
1 877 . 1 1 A 84 84 GLY CA C 84 44.722 45.163 -0.441 2
1 878 . 1 1 A 84 84 GLY N N 84 110.673 109.412 1.261 2
1 879 . 1 1 A 85 85 PRO HA H 85 4.497 4.586 -0.089 2
1 885 . 1 1 A 85 85 PRO C C 85 177.204 175.791 1.413 2
1 886 . 1 1 A 85 85 PRO CA C 85 63.290 62.608 0.682 2
1 887 . 1 1 A 85 85 PRO CB C 85 32.228 33.027 -0.799 2
1 890 . 1 1 A 86 86 SER H H 86 8.331 8.523 -0.192 2
1 891 . 1 1 A 86 86 SER HA H 86 4.339 4.850 -0.511 2
1 892 . 1 1 A 86 86 SER C C 86 174.935 173.409 1.526 2
1 893 . 1 1 A 86 86 SER CA C 86 61.769 57.880 3.889 2
1 894 . 1 1 A 86 86 SER CB C 86 69.836 65.634 4.202 2
1 895 . 1 1 A 86 86 SER N N 86 114.681 115.806 -1.125 2
1 896 . 1 1 A 87 87 SER H H 87 8.121 8.578 -0.457 2
1 897 . 1 1 A 87 87 SER CA C 87 61.963 58.109 3.854 2
1 898 . 1 1 A 87 87 SER CB C 87 69.818 64.949 4.869 2
stop_
save_