data_10255_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10255
_Entry.PDB_ID 2COD
_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 H H 7 9.055 8.838 0.217 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.908 3.979 -0.071 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 3.968 3.982 -0.014 1
1 4 . 1 1 1 A 7 7 GLY C C 7 173.671 175.169 -1.498 1
1 5 . 1 1 1 A 7 7 GLY CA C 7 45.421 45.810 -0.389 1
1 6 . 1 1 1 A 8 8 LYS H H 8 8.145 8.155 -0.010 1
1 7 . 1 1 1 A 8 8 LYS HA H 8 4.345 4.337 0.008 1
1 16 . 1 1 1 A 8 8 LYS C C 8 175.255 175.861 -0.606 1
1 17 . 1 1 1 A 8 8 LYS CA C 8 56.330 56.288 0.042 1
1 18 . 1 1 1 A 8 8 LYS CB C 8 33.583 33.159 0.424 1
1 22 . 1 1 1 A 8 8 LYS N N 8 120.101 117.260 2.841 1
1 23 . 1 1 1 A 9 9 VAL H H 9 7.579 7.451 0.128 1
1 24 . 1 1 1 A 9 9 VAL HA H 9 4.473 5.042 -0.569 1
1 32 . 1 1 1 A 9 9 VAL C C 9 174.860 174.434 0.426 1
1 33 . 1 1 1 A 9 9 VAL CA C 9 59.989 58.544 1.445 1
1 34 . 1 1 1 A 9 9 VAL CB C 9 34.218 36.275 -2.057 1
1 37 . 1 1 1 A 9 9 VAL N N 9 114.437 114.873 -0.436 1
1 38 . 1 1 1 A 10 10 LYS H H 10 8.236 8.708 -0.472 1
1 39 . 1 1 1 A 10 10 LYS HA H 10 4.345 4.541 -0.196 1
1 48 . 1 1 1 A 10 10 LYS C C 10 172.963 174.152 -1.189 1
1 49 . 1 1 1 A 10 10 LYS CA C 10 56.096 55.673 0.423 1
1 50 . 1 1 1 A 10 10 LYS CB C 10 36.131 35.883 0.248 1
1 54 . 1 1 1 A 10 10 LYS N N 10 122.938 121.572 1.366 1
1 55 . 1 1 1 A 11 11 SER H H 11 8.168 8.601 -0.433 1
1 56 . 1 1 1 A 11 11 SER HA H 11 5.669 5.451 0.218 1
1 59 . 1 1 1 A 11 11 SER C C 11 173.281 173.138 0.143 1
1 60 . 1 1 1 A 11 11 SER CA C 11 55.960 57.023 -1.063 1
1 61 . 1 1 1 A 11 11 SER CB C 11 66.326 66.036 0.290 1
1 62 . 1 1 1 A 11 11 SER N N 11 119.068 118.058 1.010 1
1 63 . 1 1 1 A 12 12 GLY H H 12 8.248 7.637 0.611 1
1 64 . 1 1 1 A 12 12 GLY HA2 H 12 4.168 3.811 0.357 1
1 65 . 1 1 1 A 12 12 GLY HA3 H 12 3.478 4.099 -0.621 1
1 66 . 1 1 1 A 12 12 GLY C C 12 170.778 171.584 -0.806 1
1 67 . 1 1 1 A 12 12 GLY CA C 12 45.654 45.541 0.113 1
1 68 . 1 1 1 A 12 12 GLY N N 12 108.756 107.422 1.334 1
1 69 . 1 1 1 A 13 13 TRP H H 13 8.622 8.488 0.134 1
1 70 . 1 1 1 A 13 13 TRP HA H 13 5.398 4.835 0.563 1
1 79 . 1 1 1 A 13 13 TRP C C 13 177.511 176.676 0.835 1
1 80 . 1 1 1 A 13 13 TRP CA C 13 57.069 58.822 -1.753 1
1 81 . 1 1 1 A 13 13 TRP CB C 13 30.295 30.056 0.239 1
1 87 . 1 1 1 A 13 13 TRP N N 13 119.518 121.057 -1.539 1
1 89 . 1 1 1 A 14 14 LEU H H 14 9.524 8.788 0.736 1
1 90 . 1 1 1 A 14 14 LEU HA H 14 4.791 5.049 -0.258 1
1 100 . 1 1 1 A 14 14 LEU C C 14 175.381 175.291 0.090 1
1 101 . 1 1 1 A 14 14 LEU CA C 14 54.096 53.501 0.595 1
1 102 . 1 1 1 A 14 14 LEU CB C 14 47.682 45.820 1.862 1
1 106 . 1 1 1 A 14 14 LEU N N 14 124.165 125.437 -1.272 1
1 107 . 1 1 1 A 15 15 ASP H H 15 8.335 8.409 -0.074 1
1 108 . 1 1 1 A 15 15 ASP HA H 15 5.424 5.041 0.383 1
1 111 . 1 1 1 A 15 15 ASP C C 15 175.302 175.187 0.115 1
1 112 . 1 1 1 A 15 15 ASP CA C 15 53.252 53.766 -0.514 1
1 113 . 1 1 1 A 15 15 ASP CB C 15 42.420 41.841 0.579 1
1 114 . 1 1 1 A 15 15 ASP N N 15 120.275 123.923 -3.648 1
1 115 . 1 1 1 A 16 16 LYS H H 16 9.444 9.216 0.228 1
1 116 . 1 1 1 A 16 16 LYS HA H 16 4.781 4.553 0.228 1
1 125 . 1 1 1 A 16 16 LYS C C 16 176.244 175.602 0.642 1
1 126 . 1 1 1 A 16 16 LYS CA C 16 54.782 55.095 -0.313 1
1 127 . 1 1 1 A 16 16 LYS CB C 16 36.666 33.890 2.776 1
1 131 . 1 1 1 A 16 16 LYS N N 16 125.854 126.149 -0.295 1
1 132 . 1 1 1 A 17 17 LEU H H 17 8.387 8.340 0.047 1
1 133 . 1 1 1 A 17 17 LEU HA H 17 3.476 4.098 -0.622 1
1 143 . 1 1 1 A 17 17 LEU C C 17 175.840 176.154 -0.314 1
1 144 . 1 1 1 A 17 17 LEU CA C 17 55.715 53.693 2.022 1
1 145 . 1 1 1 A 17 17 LEU CB C 17 41.986 41.075 0.911 1
1 149 . 1 1 1 A 17 17 LEU N N 17 130.736 127.295 3.441 1
1 150 . 1 1 1 A 18 18 SER H H 18 8.378 8.630 -0.252 1
1 151 . 1 1 1 A 18 18 SER HA H 18 4.563 4.371 0.192 1
1 154 . 1 1 1 A 18 18 SER C C 18 172.291 174.097 -1.806 1
1 155 . 1 1 1 A 18 18 SER CA C 18 55.697 62.627 -6.930 1
1 156 . 1 1 1 A 18 18 SER CB C 18 62.885 62.218 0.667 1
1 157 . 1 1 1 A 18 18 SER N N 18 123.037 122.398 0.639 1
1 158 . 1 1 1 A 19 19 PRO HA H 19 4.414 4.580 -0.166 1
1 165 . 1 1 1 A 19 19 PRO CA C 19 63.946 62.596 1.350 1
1 166 . 1 1 1 A 19 19 PRO CB C 19 32.128 32.368 -0.240 1
1 169 . 1 1 1 A 20 20 GLN H H 20 8.085 8.586 -0.501 1
1 170 . 1 1 1 A 20 20 GLN HA H 20 4.353 4.520 -0.167 1
1 175 . 1 1 1 A 20 20 GLN CA C 20 55.533 55.472 0.061 1
1 176 . 1 1 1 A 20 20 GLN CB C 20 30.130 27.453 2.677 1
1 178 . 1 1 1 A 20 20 GLN N N 20 119.721 120.416 -0.695 1
1 179 . 1 1 1 A 22 22 LYS H H 22 8.151 7.925 0.226 1
1 180 . 1 1 1 A 22 22 LYS HA H 22 4.165 3.878 0.287 1
1 185 . 1 1 1 A 22 22 LYS C C 22 176.016 176.108 -0.092 1
1 186 . 1 1 1 A 22 22 LYS CA C 22 56.717 57.133 -0.416 1
1 187 . 1 1 1 A 22 22 LYS CB C 22 32.303 29.455 2.848 1
1 191 . 1 1 1 A 23 23 ARG H H 23 8.329 7.775 0.554 1
1 192 . 1 1 1 A 23 23 ARG HA H 23 3.937 4.180 -0.243 1
1 199 . 1 1 1 A 23 23 ARG C C 23 174.937 175.793 -0.856 1
1 200 . 1 1 1 A 23 23 ARG CA C 23 56.436 57.881 -1.445 1
1 201 . 1 1 1 A 23 23 ARG CB C 23 29.144 31.866 -2.722 1
1 204 . 1 1 1 A 23 23 ARG N N 23 119.006 119.457 -0.451 1
1 205 . 1 1 1 A 24 24 MET H H 24 7.965 7.642 0.323 1
1 206 . 1 1 1 A 24 24 MET HA H 24 4.492 4.766 -0.274 1
1 209 . 1 1 1 A 24 24 MET C C 24 174.737 173.286 1.451 1
1 210 . 1 1 1 A 24 24 MET CA C 24 55.134 54.133 1.001 1
1 211 . 1 1 1 A 24 24 MET CB C 24 33.665 34.543 -0.878 1
1 213 . 1 1 1 A 24 24 MET N N 24 120.460 114.744 5.716 1
1 214 . 1 1 1 A 25 25 PHE H H 25 8.593 8.741 -0.148 1
1 215 . 1 1 1 A 25 25 PHE HA H 25 4.788 5.062 -0.274 1
1 223 . 1 1 1 A 25 25 PHE C C 25 175.712 174.190 1.522 1
1 224 . 1 1 1 A 25 25 PHE CA C 25 57.421 56.170 1.251 1
1 225 . 1 1 1 A 25 25 PHE CB C 25 41.890 43.399 -1.509 1
1 231 . 1 1 1 A 25 25 PHE N N 25 121.330 116.271 5.059 1
1 232 . 1 1 1 A 26 26 GLN H H 26 8.758 8.798 -0.040 1
1 233 . 1 1 1 A 26 26 GLN HA H 26 4.777 5.083 -0.306 1
1 240 . 1 1 1 A 26 26 GLN C C 26 175.149 175.193 -0.044 1
1 241 . 1 1 1 A 26 26 GLN CA C 26 53.991 53.964 0.027 1
1 242 . 1 1 1 A 26 26 GLN CB C 26 32.144 32.264 -0.120 1
1 244 . 1 1 1 A 26 26 GLN N N 26 119.081 122.802 -3.721 1
1 246 . 1 1 1 A 27 27 LYS H H 27 8.913 8.866 0.047 1
1 247 . 1 1 1 A 27 27 LYS HA H 27 4.933 4.940 -0.007 1
1 256 . 1 1 1 A 27 27 LYS C C 27 177.786 175.821 1.965 1
1 257 . 1 1 1 A 27 27 LYS CA C 27 57.843 56.286 1.557 1
1 258 . 1 1 1 A 27 27 LYS CB C 27 32.720 33.484 -0.764 1
1 262 . 1 1 1 A 27 27 LYS N N 27 126.903 128.225 -1.322 1
1 263 . 1 1 1 A 28 28 ARG H H 28 9.847 9.526 0.321 1
1 264 . 1 1 1 A 28 28 ARG HA H 28 5.236 5.212 0.024 1
1 271 . 1 1 1 A 28 28 ARG C C 28 173.319 175.278 -1.959 1
1 272 . 1 1 1 A 28 28 ARG CA C 28 53.481 54.479 -0.998 1
1 273 . 1 1 1 A 28 28 ARG CB C 28 34.405 34.584 -0.179 1
1 276 . 1 1 1 A 28 28 ARG N N 28 127.032 125.351 1.681 1
1 277 . 1 1 1 A 29 29 TRP H H 29 8.408 8.745 -0.337 1
1 278 . 1 1 1 A 29 29 TRP HA H 29 4.424 4.799 -0.375 1
1 285 . 1 1 1 A 29 29 TRP C C 29 174.606 175.182 -0.576 1
1 286 . 1 1 1 A 29 29 TRP CA C 29 56.383 58.247 -1.864 1
1 287 . 1 1 1 A 29 29 TRP CB C 29 29.226 30.259 -1.033 1
1 292 . 1 1 1 A 29 29 TRP N N 29 124.511 125.227 -0.716 1
1 293 . 1 1 1 A 30 30 VAL H H 30 8.464 8.169 0.295 1
1 294 . 1 1 1 A 30 30 VAL HA H 30 4.736 4.892 -0.156 1
1 302 . 1 1 1 A 30 30 VAL C C 30 172.903 174.589 -1.686 1
1 303 . 1 1 1 A 30 30 VAL CA C 30 61.219 60.185 1.034 1
1 304 . 1 1 1 A 30 30 VAL CB C 30 32.925 34.995 -2.070 1
1 307 . 1 1 1 A 30 30 VAL N N 30 129.572 127.300 2.272 1
1 308 . 1 1 1 A 31 31 LYS H H 31 9.125 8.421 0.704 1
1 309 . 1 1 1 A 31 31 LYS HA H 31 5.095 4.909 0.186 1
1 318 . 1 1 1 A 31 31 LYS C C 31 175.396 174.058 1.338 1
1 319 . 1 1 1 A 31 31 LYS CA C 31 54.677 55.734 -1.057 1
1 320 . 1 1 1 A 31 31 LYS CB C 31 37.036 36.556 0.480 1
1 324 . 1 1 1 A 31 31 LYS N N 31 124.358 125.520 -1.162 1
1 325 . 1 1 1 A 32 32 PHE H H 32 9.725 9.092 0.633 1
1 326 . 1 1 1 A 32 32 PHE HA H 32 5.905 5.179 0.726 1
1 334 . 1 1 1 A 32 32 PHE C C 32 174.555 175.670 -1.115 1
1 335 . 1 1 1 A 32 32 PHE CA C 32 56.224 56.162 0.062 1
1 336 . 1 1 1 A 32 32 PHE CB C 32 41.804 41.759 0.045 1
1 342 . 1 1 1 A 32 32 PHE N N 32 125.979 127.490 -1.511 1
1 343 . 1 1 1 A 33 33 ASP H H 33 7.884 7.795 0.089 1
1 344 . 1 1 1 A 33 33 ASP HA H 33 4.555 4.679 -0.124 1
1 347 . 1 1 1 A 33 33 ASP C C 33 175.730 176.216 -0.486 1
1 348 . 1 1 1 A 33 33 ASP CA C 33 52.602 53.736 -1.134 1
1 349 . 1 1 1 A 33 33 ASP CB C 33 41.686 42.128 -0.442 1
1 350 . 1 1 1 A 33 33 ASP N N 33 126.924 124.766 2.158 1
1 351 . 1 1 1 A 34 34 GLY H H 34 4.680 7.040 -2.360 1
1 352 . 1 1 1 A 34 34 GLY HA2 H 34 4.252 3.320 0.932 1
1 353 . 1 1 1 A 34 34 GLY HA3 H 34 3.023 3.714 -0.691 1
1 354 . 1 1 1 A 34 34 GLY C C 34 172.363 175.146 -2.783 1
1 355 . 1 1 1 A 34 34 GLY CA C 34 45.672 44.971 0.701 1
1 356 . 1 1 1 A 35 35 LEU H H 35 8.148 7.733 0.415 1
1 357 . 1 1 1 A 35 35 LEU HA H 35 4.623 4.445 0.178 1
1 367 . 1 1 1 A 35 35 LEU C C 35 177.783 176.462 1.321 1
1 368 . 1 1 1 A 35 35 LEU CA C 35 55.978 55.898 0.080 1
1 369 . 1 1 1 A 35 35 LEU CB C 35 44.352 43.803 0.549 1
1 373 . 1 1 1 A 35 35 LEU N N 35 120.632 119.668 0.964 1
1 374 . 1 1 1 A 36 36 SER H H 36 9.064 7.795 1.269 1
1 375 . 1 1 1 A 36 36 SER HA H 36 5.059 5.058 0.001 1
1 378 . 1 1 1 A 36 36 SER C C 36 173.878 172.508 1.370 1
1 379 . 1 1 1 A 36 36 SER CA C 36 57.667 57.799 -0.132 1
1 380 . 1 1 1 A 36 36 SER CB C 36 66.140 67.842 -1.702 1
1 381 . 1 1 1 A 36 36 SER N N 36 115.030 111.443 3.587 1
1 382 . 1 1 1 A 37 37 ILE H H 37 8.981 9.199 -0.218 1
1 383 . 1 1 1 A 37 37 ILE HA H 37 5.055 4.991 0.064 1
1 393 . 1 1 1 A 37 37 ILE C C 37 174.995 174.678 0.317 1
1 394 . 1 1 1 A 37 37 ILE CA C 37 61.061 60.799 0.262 1
1 395 . 1 1 1 A 37 37 ILE CB C 37 39.355 39.087 0.268 1
1 399 . 1 1 1 A 37 37 ILE N N 37 122.186 121.984 0.202 1
1 400 . 1 1 1 A 38 38 SER H H 38 9.422 8.961 0.461 1
1 401 . 1 1 1 A 38 38 SER HA H 38 5.297 4.979 0.318 1
1 404 . 1 1 1 A 38 38 SER C C 38 172.177 173.218 -1.041 1
1 405 . 1 1 1 A 38 38 SER CA C 38 56.910 58.008 -1.098 1
1 406 . 1 1 1 A 38 38 SER CB C 38 66.018 63.771 2.247 1
1 407 . 1 1 1 A 38 38 SER N N 38 122.548 125.018 -2.470 1
1 408 . 1 1 1 A 39 39 TYR H H 39 7.649 8.460 -0.811 1
1 409 . 1 1 1 A 39 39 TYR HA H 39 6.025 5.994 0.031 1
1 416 . 1 1 1 A 39 39 TYR C C 39 173.937 173.474 0.463 1
1 417 . 1 1 1 A 39 39 TYR CA C 39 54.144 55.462 -1.318 1
1 418 . 1 1 1 A 39 39 TYR CB C 39 41.722 41.391 0.331 1
1 423 . 1 1 1 A 39 39 TYR N N 39 116.176 123.109 -6.933 1
1 424 . 1 1 1 A 40 40 TYR H H 40 9.647 9.054 0.593 1
1 425 . 1 1 1 A 40 40 TYR HA H 40 5.044 4.867 0.177 1
1 432 . 1 1 1 A 40 40 TYR CA C 40 56.928 57.411 -0.483 1
1 433 . 1 1 1 A 40 40 TYR CB C 40 43.678 41.645 2.033 1
1 438 . 1 1 1 A 40 40 TYR N N 40 118.964 123.060 -4.096 1
1 439 . 1 1 1 A 41 41 ASN H H 41 7.712 8.641 -0.929 1
1 440 . 1 1 1 A 41 41 ASN HA H 41 4.867 4.876 -0.009 1
1 445 . 1 1 1 A 41 41 ASN CB C 41 39.279 40.682 -1.403 1
1 446 . 1 1 1 A 41 41 ASN N N 41 109.731 120.709 -10.978 1
1 448 . 1 1 1 A 42 42 ASN H H 42 9.215 9.181 0.034 1
1 449 . 1 1 1 A 42 42 ASN HA H 42 4.868 4.849 0.019 1
1 452 . 1 1 1 A 42 42 ASN CA C 42 52.812 56.410 -3.598 1
1 453 . 1 1 1 A 42 42 ASN CB C 42 39.180 38.017 1.163 1
1 458 . 1 1 1 A 44 44 LYS CB C 44 35.364 33.000 2.364 1
1 460 . 1 1 1 A 46 46 MET H H 46 8.285 8.795 -0.510 1
1 461 . 1 1 1 A 46 46 MET HA H 46 4.218 5.052 -0.834 1
1 466 . 1 1 1 A 46 46 MET CA C 46 56.523 54.666 1.857 1
1 467 . 1 1 1 A 46 46 MET CB C 46 33.665 36.029 -2.364 1
1 469 . 1 1 1 A 47 47 TYR H H 47 7.965 8.404 -0.439 1
1 470 . 1 1 1 A 47 47 TYR HA H 47 4.935 3.999 0.936 1
1 477 . 1 1 1 A 47 47 TYR CA C 47 55.861 59.052 -3.191 1
1 478 . 1 1 1 A 47 47 TYR CB C 47 38.476 35.399 3.077 1
1 483 . 1 1 1 A 47 47 TYR N N 47 117.521 117.660 -0.139 1
1 484 . 1 1 1 A 49 49 LYS H H 49 8.704 8.889 -0.185 1
1 485 . 1 1 1 A 49 49 LYS HA H 49 4.369 5.362 -0.993 1
1 494 . 1 1 1 A 49 49 LYS CA C 49 54.891 54.642 0.249 1
1 495 . 1 1 1 A 49 49 LYS CB C 49 32.501 36.095 -3.594 1
1 499 . 1 1 1 A 50 50 GLY H H 50 6.985 8.396 -1.411 1
1 500 . 1 1 1 A 50 50 GLY HA2 H 50 3.825 3.893 -0.068 1
1 501 . 1 1 1 A 50 50 GLY HA3 H 50 3.265 4.169 -0.904 1
1 502 . 1 1 1 A 50 50 GLY C C 50 170.241 172.086 -1.845 1
1 503 . 1 1 1 A 50 50 GLY CA C 50 45.039 45.477 -0.438 1
1 504 . 1 1 1 A 50 50 GLY N N 50 108.097 110.218 -2.121 1
1 505 . 1 1 1 A 51 51 ILE H H 51 7.890 9.050 -1.160 1
1 506 . 1 1 1 A 51 51 ILE HA H 51 4.777 5.313 -0.536 1
1 516 . 1 1 1 A 51 51 ILE C C 51 175.026 173.554 1.472 1
1 517 . 1 1 1 A 51 51 ILE CA C 51 60.217 59.472 0.745 1
1 518 . 1 1 1 A 51 51 ILE CB C 51 42.388 41.594 0.794 1
1 522 . 1 1 1 A 51 51 ILE N N 51 117.769 124.289 -6.520 1
1 523 . 1 1 1 A 52 52 ILE H H 52 9.485 9.044 0.441 1
1 524 . 1 1 1 A 52 52 ILE HA H 52 4.533 4.787 -0.254 1
1 534 . 1 1 1 A 52 52 ILE C C 52 173.526 174.951 -1.425 1
1 535 . 1 1 1 A 52 52 ILE CA C 52 57.983 57.804 0.179 1
1 536 . 1 1 1 A 52 52 ILE CB C 52 40.324 38.898 1.426 1
1 540 . 1 1 1 A 52 52 ILE N N 52 127.899 129.515 -1.616 1
1 541 . 1 1 1 A 53 53 PRO HA H 53 4.501 5.076 -0.575 1
1 548 . 1 1 1 A 53 53 PRO C C 53 177.663 178.182 -0.519 1
1 549 . 1 1 1 A 53 53 PRO CA C 53 62.838 63.025 -0.187 1
1 550 . 1 1 1 A 53 53 PRO CB C 53 31.939 32.046 -0.107 1
1 553 . 1 1 1 A 54 54 LEU H H 54 8.647 8.882 -0.235 1
1 554 . 1 1 1 A 54 54 LEU HA H 54 3.985 4.189 -0.204 1
1 564 . 1 1 1 A 54 54 LEU C C 54 178.940 178.613 0.327 1
1 565 . 1 1 1 A 54 54 LEU CA C 54 58.371 57.753 0.618 1
1 566 . 1 1 1 A 54 54 LEU CB C 54 42.388 41.697 0.691 1
1 570 . 1 1 1 A 54 54 LEU N N 54 124.847 127.150 -2.303 1
1 571 . 1 1 1 A 55 55 SER H H 55 8.278 8.098 0.180 1
1 572 . 1 1 1 A 55 55 SER HA H 55 4.169 4.113 0.056 1
1 575 . 1 1 1 A 55 55 SER C C 55 174.956 176.425 -1.469 1
1 576 . 1 1 1 A 55 55 SER CA C 55 59.971 62.140 -2.169 1
1 577 . 1 1 1 A 55 55 SER CB C 55 62.721 62.769 -0.048 1
1 578 . 1 1 1 A 55 55 SER N N 55 109.639 116.658 -7.019 1
1 579 . 1 1 1 A 56 56 ALA H H 56 7.796 8.003 -0.207 1
1 580 . 1 1 1 A 56 56 ALA HA H 56 4.545 4.115 0.430 1
1 584 . 1 1 1 A 56 56 ALA C C 56 177.505 178.712 -1.207 1
1 585 . 1 1 1 A 56 56 ALA CA C 56 52.022 55.365 -3.343 1
1 586 . 1 1 1 A 56 56 ALA CB C 56 20.240 18.105 2.135 1
1 587 . 1 1 1 A 56 56 ALA N N 56 123.057 123.049 0.008 1
1 588 . 1 1 1 A 57 57 ILE H H 57 7.664 7.292 0.372 1
1 589 . 1 1 1 A 57 57 ILE HA H 57 4.035 4.235 -0.200 1
1 599 . 1 1 1 A 57 57 ILE C C 57 175.285 176.231 -0.946 1
1 600 . 1 1 1 A 57 57 ILE CA C 57 62.697 62.567 0.130 1
1 601 . 1 1 1 A 57 57 ILE CB C 57 38.474 37.458 1.016 1
1 605 . 1 1 1 A 57 57 ILE N N 57 119.512 118.485 1.027 1
1 606 . 1 1 1 A 58 58 SER H H 58 9.364 8.759 0.605 1
1 607 . 1 1 1 A 58 58 SER HA H 58 4.526 4.454 0.072 1
1 610 . 1 1 1 A 58 58 SER C C 58 175.125 173.855 1.270 1
1 611 . 1 1 1 A 58 58 SER CA C 58 59.215 60.585 -1.370 1
1 612 . 1 1 1 A 58 58 SER CB C 58 63.590 63.797 -0.207 1
1 613 . 1 1 1 A 58 58 SER N N 58 122.513 124.054 -1.541 1
1 614 . 1 1 1 A 59 59 THR H H 59 7.502 7.592 -0.090 1
1 615 . 1 1 1 A 59 59 THR HA H 59 4.355 4.611 -0.256 1
1 620 . 1 1 1 A 59 59 THR C C 59 170.784 171.844 -1.060 1
1 621 . 1 1 1 A 59 59 THR CA C 59 61.132 60.786 0.346 1
1 622 . 1 1 1 A 59 59 THR CB C 59 68.686 70.697 -2.011 1
1 624 . 1 1 1 A 59 59 THR N N 59 112.470 112.769 -0.299 1
1 625 . 1 1 1 A 60 60 VAL H H 60 7.766 8.459 -0.693 1
1 626 . 1 1 1 A 60 60 VAL HA H 60 5.326 5.122 0.204 1
1 634 . 1 1 1 A 60 60 VAL C C 60 174.166 174.163 0.003 1
1 635 . 1 1 1 A 60 60 VAL CA C 60 60.410 60.308 0.102 1
1 636 . 1 1 1 A 60 60 VAL CB C 60 34.979 34.874 0.105 1
1 639 . 1 1 1 A 60 60 VAL N N 60 121.276 124.802 -3.526 1
1 640 . 1 1 1 A 61 61 ARG H H 61 8.941 8.686 0.255 1
1 641 . 1 1 1 A 61 61 ARG HA H 61 5.053 4.932 0.121 1
1 648 . 1 1 1 A 61 61 ARG C C 61 175.460 174.921 0.539 1
1 649 . 1 1 1 A 61 61 ARG CA C 61 54.166 53.877 0.289 1
1 650 . 1 1 1 A 61 61 ARG CB C 61 34.000 34.009 -0.009 1
1 653 . 1 1 1 A 61 61 ARG N N 61 121.101 124.013 -2.912 1
1 654 . 1 1 1 A 62 62 VAL H H 62 8.627 8.533 0.094 1
1 655 . 1 1 1 A 62 62 VAL HA H 62 4.195 4.867 -0.672 1
1 663 . 1 1 1 A 62 62 VAL C C 62 175.216 174.490 0.726 1
1 664 . 1 1 1 A 62 62 VAL CA C 62 62.926 60.749 2.177 1
1 665 . 1 1 1 A 62 62 VAL CB C 62 33.459 33.365 0.094 1
1 668 . 1 1 1 A 62 62 VAL N N 62 118.451 116.684 1.767 1
1 669 . 1 1 1 A 63 63 GLN H H 63 7.628 8.926 -1.298 1
1 670 . 1 1 1 A 63 63 GLN HA H 63 4.575 4.749 -0.174 1
1 677 . 1 1 1 A 63 63 GLN C C 63 174.418 175.701 -1.283 1
1 678 . 1 1 1 A 63 63 GLN CA C 63 55.451 55.320 0.131 1
1 679 . 1 1 1 A 63 63 GLN CB C 63 32.062 32.162 -0.100 1
1 681 . 1 1 1 A 63 63 GLN N N 63 123.160 123.040 0.120 1
1 683 . 1 1 1 A 64 64 GLY H H 64 8.678 8.839 -0.161 1
1 684 . 1 1 1 A 64 64 GLY HA2 H 64 4.025 3.884 0.141 1
1 685 . 1 1 1 A 64 64 GLY HA3 H 64 3.895 3.888 0.007 1
1 686 . 1 1 1 A 64 64 GLY C C 64 174.592 173.053 1.539 1
1 687 . 1 1 1 A 64 64 GLY CA C 64 45.531 46.460 -0.929 1
1 688 . 1 1 1 A 64 64 GLY N N 64 112.406 114.199 -1.793 1
1 689 . 1 1 1 A 65 65 ASP HA H 65 4.625 4.989 -0.364 1
1 692 . 1 1 1 A 65 65 ASP C C 65 176.902 175.923 0.979 1
1 693 . 1 1 1 A 65 65 ASP CA C 65 55.486 53.035 2.451 1
1 694 . 1 1 1 A 65 65 ASP CB C 65 40.817 41.808 -0.991 1
1 695 . 1 1 1 A 66 66 ASN H H 66 7.979 8.863 -0.884 1
1 696 . 1 1 1 A 66 66 ASN HA H 66 4.554 4.361 0.193 1
1 701 . 1 1 1 A 66 66 ASN C C 66 174.456 174.164 0.292 1
1 702 . 1 1 1 A 66 66 ASN CA C 66 52.795 54.388 -1.593 1
1 703 . 1 1 1 A 66 66 ASN CB C 66 37.981 37.420 0.561 1
1 704 . 1 1 1 A 66 66 ASN N N 66 112.071 118.278 -6.207 1
1 706 . 1 1 1 A 67 67 LYS H H 67 7.476 7.583 -0.107 1
1 707 . 1 1 1 A 67 67 LYS HA H 67 5.914 5.228 0.686 1
1 716 . 1 1 1 A 67 67 LYS C C 67 177.922 175.611 2.311 1
1 717 . 1 1 1 A 67 67 LYS CA C 67 54.906 54.549 0.357 1
1 718 . 1 1 1 A 67 67 LYS CB C 67 36.707 36.945 -0.238 1
1 722 . 1 1 1 A 67 67 LYS N N 67 115.613 117.527 -1.914 1
1 723 . 1 1 1 A 68 68 PHE H H 68 9.227 8.454 0.773 1
1 724 . 1 1 1 A 68 68 PHE HA H 68 5.296 5.121 0.175 1
1 732 . 1 1 1 A 68 68 PHE C C 68 171.230 172.233 -1.003 1
1 733 . 1 1 1 A 68 68 PHE CA C 68 56.576 56.177 0.399 1
1 734 . 1 1 1 A 68 68 PHE CB C 68 42.790 41.399 1.391 1
1 740 . 1 1 1 A 68 68 PHE N N 68 117.009 117.036 -0.027 1
1 741 . 1 1 1 A 69 69 GLU H H 69 9.527 8.886 0.641 1
1 742 . 1 1 1 A 69 69 GLU HA H 69 5.434 5.043 0.391 1
1 747 . 1 1 1 A 69 69 GLU C C 69 175.659 175.082 0.577 1
1 748 . 1 1 1 A 69 69 GLU CA C 69 53.429 54.899 -1.470 1
1 749 . 1 1 1 A 69 69 GLU CB C 69 33.460 32.710 0.750 1
1 751 . 1 1 1 A 69 69 GLU N N 69 119.470 120.291 -0.821 1
1 752 . 1 1 1 A 70 70 VAL H H 70 9.486 9.567 -0.081 1
1 753 . 1 1 1 A 70 70 VAL HA H 70 4.486 4.610 -0.124 1
1 761 . 1 1 1 A 70 70 VAL C C 70 174.403 175.348 -0.945 1
1 762 . 1 1 1 A 70 70 VAL CA C 70 62.240 61.621 0.619 1
1 763 . 1 1 1 A 70 70 VAL CB C 70 33.706 32.721 0.985 1
1 766 . 1 1 1 A 70 70 VAL N N 70 123.935 126.625 -2.690 1
1 767 . 1 1 1 A 71 71 VAL H H 71 8.658 8.423 0.235 1
1 768 . 1 1 1 A 71 71 VAL HA H 71 4.345 4.182 0.163 1
1 776 . 1 1 1 A 71 71 VAL C C 71 175.524 175.567 -0.043 1
1 777 . 1 1 1 A 71 71 VAL CA C 71 63.365 62.745 0.620 1
1 778 . 1 1 1 A 71 71 VAL CB C 71 32.802 31.892 0.910 1
1 781 . 1 1 1 A 71 71 VAL N N 71 129.195 128.147 1.048 1
1 782 . 1 1 1 A 72 72 THR H H 72 8.134 8.073 0.061 1
1 783 . 1 1 1 A 72 72 THR HA H 72 5.515 5.031 0.484 1
1 788 . 1 1 1 A 72 72 THR C C 72 174.609 175.153 -0.544 1
1 789 . 1 1 1 A 72 72 THR CA C 72 59.496 59.712 -0.216 1
1 790 . 1 1 1 A 72 72 THR CB C 72 72.139 71.594 0.545 1
1 792 . 1 1 1 A 72 72 THR N N 72 117.639 117.313 0.326 1
1 793 . 1 1 1 A 73 73 THR H H 73 8.944 8.802 0.142 1
1 794 . 1 1 1 A 73 73 THR HA H 73 3.966 3.851 0.115 1
1 799 . 1 1 1 A 73 73 THR C C 73 175.783 176.505 -0.722 1
1 800 . 1 1 1 A 73 73 THR CA C 73 65.880 65.977 -0.097 1
1 801 . 1 1 1 A 73 73 THR CB C 73 68.604 68.797 -0.193 1
1 803 . 1 1 1 A 73 73 THR N N 73 114.027 118.541 -4.514 1
1 804 . 1 1 1 A 74 74 GLN H H 74 7.997 7.537 0.460 1
1 805 . 1 1 1 A 74 74 GLN HA H 74 4.350 4.302 0.048 1
1 812 . 1 1 1 A 74 74 GLN C C 74 175.698 175.494 0.204 1
1 813 . 1 1 1 A 74 74 GLN CA C 74 56.910 57.590 -0.680 1
1 814 . 1 1 1 A 74 74 GLN CB C 74 30.624 29.255 1.369 1
1 816 . 1 1 1 A 74 74 GLN N N 74 115.670 118.295 -2.625 1
1 818 . 1 1 1 A 75 75 ARG H H 75 7.366 7.079 0.287 1
1 819 . 1 1 1 A 75 75 ARG HA H 75 4.395 4.518 -0.123 1
1 826 . 1 1 1 A 75 75 ARG C C 75 174.546 175.004 -0.458 1
1 827 . 1 1 1 A 75 75 ARG CA C 75 55.802 54.193 1.609 1
1 828 . 1 1 1 A 75 75 ARG CB C 75 32.514 33.577 -1.063 1
1 831 . 1 1 1 A 75 75 ARG N N 75 115.650 117.767 -2.117 1
1 832 . 1 1 1 A 76 76 THR H H 76 8.679 8.488 0.191 1
1 833 . 1 1 1 A 76 76 THR HA H 76 5.065 3.914 1.151 1
1 838 . 1 1 1 A 76 76 THR C C 76 173.239 174.273 -1.034 1
1 839 . 1 1 1 A 76 76 THR CA C 76 61.888 63.871 -1.983 1
1 840 . 1 1 1 A 76 76 THR CB C 76 69.878 69.549 0.329 1
1 842 . 1 1 1 A 76 76 THR N N 76 120.285 117.987 2.298 1
1 843 . 1 1 1 A 77 77 PHE H H 77 9.156 9.270 -0.114 1
1 844 . 1 1 1 A 77 77 PHE HA H 77 4.385 4.901 -0.516 1
1 852 . 1 1 1 A 77 77 PHE C C 77 174.028 174.510 -0.482 1
1 853 . 1 1 1 A 77 77 PHE CA C 77 56.822 55.825 0.997 1
1 854 . 1 1 1 A 77 77 PHE CB C 77 41.640 42.952 -1.312 1
1 860 . 1 1 1 A 77 77 PHE N N 77 127.212 125.088 2.124 1
1 861 . 1 1 1 A 78 78 VAL H H 78 8.374 8.587 -0.213 1
1 862 . 1 1 1 A 78 78 VAL HA H 78 4.506 4.496 0.010 1
1 870 . 1 1 1 A 78 78 VAL C C 78 173.264 174.657 -1.393 1
1 871 . 1 1 1 A 78 78 VAL CA C 78 61.730 61.225 0.505 1
1 872 . 1 1 1 A 78 78 VAL CB C 78 33.254 33.950 -0.696 1
1 875 . 1 1 1 A 78 78 VAL N N 78 123.393 120.363 3.030 1
1 876 . 1 1 1 A 79 79 PHE H H 79 8.458 8.024 0.434 1
1 877 . 1 1 1 A 79 79 PHE HA H 79 5.403 4.967 0.436 1
1 885 . 1 1 1 A 79 79 PHE C C 79 173.855 173.844 0.011 1
1 886 . 1 1 1 A 79 79 PHE CA C 79 55.151 55.885 -0.734 1
1 887 . 1 1 1 A 79 79 PHE CB C 79 42.913 41.535 1.378 1
1 893 . 1 1 1 A 79 79 PHE N N 79 123.801 125.120 -1.319 1
1 894 . 1 1 1 A 80 80 ARG H H 80 9.407 8.901 0.506 1
1 895 . 1 1 1 A 80 80 ARG HA H 80 5.134 5.036 0.098 1
1 902 . 1 1 1 A 80 80 ARG C C 80 174.634 175.264 -0.630 1
1 903 . 1 1 1 A 80 80 ARG CA C 80 54.431 53.930 0.501 1
1 904 . 1 1 1 A 80 80 ARG CB C 80 35.227 33.897 1.330 1
1 907 . 1 1 1 A 80 80 ARG N N 80 121.570 123.303 -1.733 1
1 908 . 1 1 1 A 81 81 VAL H H 81 8.544 8.754 -0.210 1
1 909 . 1 1 1 A 81 81 VAL HA H 81 4.708 4.953 -0.245 1
1 917 . 1 1 1 A 81 81 VAL C C 81 175.050 175.766 -0.716 1
1 918 . 1 1 1 A 81 81 VAL CA C 81 59.602 59.493 0.109 1
1 919 . 1 1 1 A 81 81 VAL CB C 81 33.706 34.281 -0.575 1
1 922 . 1 1 1 A 81 81 VAL N N 81 122.128 120.502 1.626 1
1 923 . 1 1 1 A 82 82 GLU H H 82 8.549 9.165 -0.616 1
1 924 . 1 1 1 A 82 82 GLU HA H 82 4.132 4.478 -0.346 1
1 929 . 1 1 1 A 82 82 GLU C C 82 176.909 175.545 1.364 1
1 930 . 1 1 1 A 82 82 GLU CA C 82 58.973 57.001 1.972 1
1 931 . 1 1 1 A 82 82 GLU CB C 82 30.582 31.579 -0.997 1
1 933 . 1 1 1 A 82 82 GLU N N 82 121.776 121.867 -0.091 1
1 934 . 1 1 1 A 83 83 LYS H H 83 7.618 7.599 0.019 1
1 935 . 1 1 1 A 83 83 LYS HA H 83 4.708 4.714 -0.006 1
1 944 . 1 1 1 A 83 83 LYS C C 83 176.665 176.873 -0.208 1
1 945 . 1 1 1 A 83 83 LYS CA C 83 54.694 54.751 -0.057 1
1 946 . 1 1 1 A 83 83 LYS CB C 83 34.775 35.859 -1.084 1
1 950 . 1 1 1 A 83 83 LYS N N 83 115.778 118.148 -2.370 1
1 951 . 1 1 1 A 84 84 GLU H H 84 9.150 9.066 0.084 1
1 952 . 1 1 1 A 84 84 GLU HA H 84 3.953 4.141 -0.188 1
1 957 . 1 1 1 A 84 84 GLU C C 84 178.243 178.806 -0.563 1
1 958 . 1 1 1 A 84 84 GLU CA C 84 60.217 59.655 0.562 1
1 959 . 1 1 1 A 84 84 GLU CB C 84 29.843 29.137 0.706 1
1 961 . 1 1 1 A 84 84 GLU N N 84 127.798 121.747 6.051 1
1 962 . 1 1 1 A 85 85 GLU H H 85 9.626 8.318 1.308 1
1 963 . 1 1 1 A 85 85 GLU HA H 85 4.100 4.087 0.013 1
1 968 . 1 1 1 A 85 85 GLU C C 85 178.948 178.654 0.294 1
1 969 . 1 1 1 A 85 85 GLU CA C 85 59.847 59.284 0.563 1
1 970 . 1 1 1 A 85 85 GLU CB C 85 28.897 29.164 -0.267 1
1 972 . 1 1 1 A 85 85 GLU N N 85 117.844 118.947 -1.103 1
1 973 . 1 1 1 A 86 86 GLU H H 86 7.257 8.100 -0.843 1
1 974 . 1 1 1 A 86 86 GLU HA H 86 4.365 4.115 0.250 1
1 979 . 1 1 1 A 86 86 GLU C C 86 178.607 178.825 -0.218 1
1 980 . 1 1 1 A 86 86 GLU CA C 86 58.089 59.246 -1.157 1
1 981 . 1 1 1 A 86 86 GLU CB C 86 30.212 29.470 0.742 1
1 983 . 1 1 1 A 86 86 GLU N N 86 118.075 119.771 -1.696 1
1 984 . 1 1 1 A 87 87 ARG H H 87 7.919 7.679 0.240 1
1 985 . 1 1 1 A 87 87 ARG HA H 87 3.838 3.955 -0.117 1
1 992 . 1 1 1 A 87 87 ARG C C 87 177.977 179.075 -1.098 1
1 993 . 1 1 1 A 87 87 ARG CA C 87 60.815 59.277 1.538 1
1 994 . 1 1 1 A 87 87 ARG CB C 87 28.856 29.946 -1.090 1
1 997 . 1 1 1 A 87 87 ARG N N 87 121.287 120.692 0.595 1
1 998 . 1 1 1 A 88 88 ASN H H 88 8.421 7.945 0.476 1
1 999 . 1 1 1 A 88 88 ASN HA H 88 4.295 4.479 -0.184 1
1 1004 . 1 1 1 A 88 88 ASN C C 88 177.423 177.962 -0.539 1
1 1005 . 1 1 1 A 88 88 ASN CA C 88 55.627 56.216 -0.589 1
1 1006 . 1 1 1 A 88 88 ASN CB C 88 37.136 37.924 -0.788 1
1 1007 . 1 1 1 A 88 88 ASN N N 88 116.926 117.699 -0.773 1
1 1009 . 1 1 1 A 89 89 ASP H H 89 7.790 8.081 -0.291 1
1 1010 . 1 1 1 A 89 89 ASP HA H 89 4.389 4.239 0.150 1
1 1013 . 1 1 1 A 89 89 ASP C C 89 177.683 178.604 -0.921 1
1 1014 . 1 1 1 A 89 89 ASP CA C 89 57.737 57.229 0.508 1
1 1015 . 1 1 1 A 89 89 ASP CB C 89 41.352 40.457 0.895 1
1 1016 . 1 1 1 A 89 89 ASP N N 89 121.867 119.198 2.669 1
1 1017 . 1 1 1 A 90 90 TRP H H 90 7.690 8.421 -0.731 1
1 1018 . 1 1 1 A 90 90 TRP HA H 90 3.666 4.212 -0.546 1
1 1027 . 1 1 1 A 90 90 TRP C C 90 177.880 178.525 -0.645 1
1 1028 . 1 1 1 A 90 90 TRP CA C 90 61.704 59.604 2.100 1
1 1029 . 1 1 1 A 90 90 TRP CB C 90 29.594 29.332 0.262 1
1 1035 . 1 1 1 A 90 90 TRP N N 90 117.617 119.492 -1.875 1
1 1037 . 1 1 1 A 91 91 ILE H H 91 7.654 7.747 -0.093 1
1 1038 . 1 1 1 A 91 91 ILE HA H 91 3.275 3.612 -0.337 1
1 1048 . 1 1 1 A 91 91 ILE C C 91 177.138 178.060 -0.922 1
1 1049 . 1 1 1 A 91 91 ILE CA C 91 65.001 65.397 -0.396 1
1 1050 . 1 1 1 A 91 91 ILE CB C 91 36.913 37.431 -0.518 1
1 1054 . 1 1 1 A 91 91 ILE N N 91 114.248 120.277 -6.029 1
1 1055 . 1 1 1 A 92 92 SER H H 92 8.055 7.954 0.101 1
1 1056 . 1 1 1 A 92 92 SER HA H 92 4.045 4.068 -0.023 1
1 1059 . 1 1 1 A 92 92 SER C C 92 177.204 177.098 0.106 1
1 1060 . 1 1 1 A 92 92 SER CA C 92 61.923 61.753 0.170 1
1 1061 . 1 1 1 A 92 92 SER CB C 92 62.767 63.037 -0.270 1
1 1062 . 1 1 1 A 92 92 SER N N 92 114.018 115.147 -1.129 1
1 1063 . 1 1 1 A 93 93 ILE H H 93 7.926 8.057 -0.131 1
1 1064 . 1 1 1 A 93 93 ILE HA H 93 3.795 3.738 0.057 1
1 1074 . 1 1 1 A 93 93 ILE C C 93 178.947 178.652 0.295 1
1 1075 . 1 1 1 A 93 93 ILE CA C 93 64.825 65.055 -0.230 1
1 1076 . 1 1 1 A 93 93 ILE CB C 93 37.693 37.852 -0.159 1
1 1080 . 1 1 1 A 93 93 ILE N N 93 120.974 120.755 0.219 1
1 1081 . 1 1 1 A 94 94 LEU H H 94 7.678 7.929 -0.251 1
1 1082 . 1 1 1 A 94 94 LEU HA H 94 3.634 3.816 -0.182 1
1 1092 . 1 1 1 A 94 94 LEU C C 94 178.551 179.252 -0.701 1
1 1093 . 1 1 1 A 94 94 LEU CA C 94 57.861 57.792 0.069 1
1 1094 . 1 1 1 A 94 94 LEU CB C 94 42.356 41.612 0.744 1
1 1098 . 1 1 1 A 94 94 LEU N N 94 121.223 119.106 2.117 1
1 1099 . 1 1 1 A 95 95 LEU H H 95 8.954 8.523 0.431 1
1 1100 . 1 1 1 A 95 95 LEU HA H 95 4.037 3.918 0.119 1
1 1110 . 1 1 1 A 95 95 LEU C C 95 180.858 179.301 1.557 1
1 1111 . 1 1 1 A 95 95 LEU CA C 95 58.194 57.883 0.311 1
1 1112 . 1 1 1 A 95 95 LEU CB C 95 41.286 41.447 -0.161 1
1 1116 . 1 1 1 A 95 95 LEU N N 95 118.177 117.948 0.229 1
1 1117 . 1 1 1 A 96 96 ASN H H 96 8.235 8.776 -0.541 1
1 1118 . 1 1 1 A 96 96 ASN HA H 96 4.445 4.441 0.004 1
1 1123 . 1 1 1 A 96 96 ASN C C 96 177.901 177.108 0.793 1
1 1124 . 1 1 1 A 96 96 ASN CA C 96 56.347 56.781 -0.434 1
1 1125 . 1 1 1 A 96 96 ASN CB C 96 38.105 38.882 -0.777 1
1 1126 . 1 1 1 A 96 96 ASN N N 96 117.502 118.715 -1.213 1
1 1128 . 1 1 1 A 97 97 ALA H H 97 7.756 7.757 -0.001 1
1 1129 . 1 1 1 A 97 97 ALA HA H 97 4.305 4.198 0.107 1
1 1133 . 1 1 1 A 97 97 ALA C C 97 180.315 179.072 1.243 1
1 1134 . 1 1 1 A 97 97 ALA CA C 97 54.906 53.970 0.936 1
1 1135 . 1 1 1 A 97 97 ALA CB C 97 19.214 18.626 0.588 1
1 1136 . 1 1 1 A 97 97 ALA N N 97 123.457 121.008 2.449 1
1 1137 . 1 1 1 A 98 98 LEU H H 98 8.335 7.739 0.596 1
1 1138 . 1 1 1 A 98 98 LEU HA H 98 4.055 4.126 -0.071 1
1 1148 . 1 1 1 A 98 98 LEU C C 98 179.542 179.286 0.256 1
1 1149 . 1 1 1 A 98 98 LEU CA C 98 57.578 57.244 0.334 1
1 1150 . 1 1 1 A 98 98 LEU CB C 98 42.174 41.623 0.551 1
1 1154 . 1 1 1 A 98 98 LEU N N 98 119.610 118.088 1.522 1
1 1155 . 1 1 1 A 99 99 LYS H H 99 7.969 8.042 -0.073 1
1 1156 . 1 1 1 A 99 99 LYS HA H 99 4.203 4.137 0.066 1
1 1165 . 1 1 1 A 99 99 LYS C C 99 178.392 178.636 -0.244 1
1 1166 . 1 1 1 A 99 99 LYS CA C 99 58.563 58.951 -0.388 1
1 1167 . 1 1 1 A 99 99 LYS CB C 99 32.267 31.644 0.623 1
1 1171 . 1 1 1 A 99 99 LYS N N 99 119.323 118.910 0.413 1
1 1172 . 1 1 1 A 100 100 SER H H 100 7.854 7.442 0.412 1
1 1173 . 1 1 1 A 100 100 SER HA H 100 4.404 4.173 0.231 1
1 1176 . 1 1 1 A 100 100 SER C C 100 175.449 176.615 -1.166 1
1 1177 . 1 1 1 A 100 100 SER CA C 100 60.076 61.416 -1.340 1
1 1178 . 1 1 1 A 100 100 SER CB C 100 63.600 62.827 0.773 1
1 1179 . 1 1 1 A 100 100 SER N N 100 114.116 115.152 -1.036 1
1 1180 . 1 1 1 A 101 101 GLN H H 101 7.863 8.511 -0.648 1
1 1181 . 1 1 1 A 101 101 GLN HA H 101 4.294 4.243 0.051 1
1 1188 . 1 1 1 A 101 101 GLN C C 101 176.613 175.628 0.985 1
1 1189 . 1 1 1 A 101 101 GLN CA C 101 57.121 57.462 -0.341 1
1 1190 . 1 1 1 A 101 101 GLN CB C 101 29.761 27.769 1.992 1
1 1192 . 1 1 1 A 101 101 GLN N N 101 120.923 117.030 3.893 1
1 1194 . 1 1 1 A 102 102 SER H H 102 8.170 7.652 0.518 1
1 1195 . 1 1 1 A 102 102 SER HA H 102 4.445 4.872 -0.427 1
1 1198 . 1 1 1 A 102 102 SER C C 102 175.030 173.548 1.482 1
1 1199 . 1 1 1 A 102 102 SER CA C 102 59.162 56.582 2.580 1
1 1200 . 1 1 1 A 102 102 SER CB C 102 63.466 64.462 -0.996 1
1 1201 . 1 1 1 A 102 102 SER N N 102 115.689 115.376 0.313 1
1 1202 . 1 1 1 A 103 103 LEU H H 103 8.111 8.602 -0.491 1
1 1203 . 1 1 1 A 103 103 LEU HA H 103 4.400 4.274 0.126 1
1 1213 . 1 1 1 A 103 103 LEU C C 103 178.263 177.090 1.173 1
1 1214 . 1 1 1 A 103 103 LEU CA C 103 55.908 55.025 0.883 1
1 1215 . 1 1 1 A 103 103 LEU CB C 103 42.215 43.103 -0.888 1
1 1219 . 1 1 1 A 103 103 LEU N N 103 123.252 128.550 -5.298 1
1 1220 . 1 1 1 A 104 104 THR H H 104 8.064 8.561 -0.497 1
1 1221 . 1 1 1 A 104 104 THR HA H 104 4.354 3.875 0.479 1
1 1226 . 1 1 1 A 104 104 THR C C 104 175.092 173.172 1.920 1
1 1227 . 1 1 1 A 104 104 THR CA C 104 62.368 62.626 -0.258 1
1 1228 . 1 1 1 A 104 104 THR CB C 104 69.673 66.948 2.725 1
1 1230 . 1 1 1 A 104 104 THR N N 104 113.441 112.270 1.171 1
1 1231 . 1 1 1 A 105 105 SER H H 105 8.231 7.809 0.422 1
1 1232 . 1 1 1 A 105 105 SER C C 105 177.959 173.853 4.106 1
1 1233 . 1 1 1 A 105 105 SER CA C 105 58.406 56.311 2.095 1
1 1234 . 1 1 1 A 105 105 SER CB C 105 63.507 65.350 -1.843 1
1 1235 . 1 1 1 A 105 105 SER N N 105 117.638 114.318 3.320 1
1 1236 . 1 1 1 A 106 106 GLN HA H 106 4.365 4.278 0.087 1
1 1239 . 1 1 1 A 106 106 GLN C C 106 176.322 175.929 0.393 1
1 1240 . 1 1 1 A 106 106 GLN CA C 106 56.189 56.580 -0.391 1
1 1241 . 1 1 1 A 106 106 GLN CB C 106 29.226 28.849 0.377 1
1 1243 . 1 1 1 A 107 107 SER H H 107 8.287 8.993 -0.706 1
1 1244 . 1 1 1 A 107 107 SER HA H 107 4.404 4.429 -0.025 1
1 1246 . 1 1 1 A 107 107 SER C C 107 174.687 174.124 0.563 1
1 1247 . 1 1 1 A 107 107 SER CA C 107 58.722 59.465 -0.743 1
1 1248 . 1 1 1 A 107 107 SER CB C 107 63.713 63.740 -0.027 1
1 1249 . 1 1 1 A 107 107 SER N N 107 116.578 121.447 -4.869 1
1 1250 . 1 1 1 A 108 108 GLN H H 108 8.354 9.029 -0.675 1
1 1251 . 1 1 1 A 108 108 GLN HA H 108 4.349 4.407 -0.058 1
1 1258 . 1 1 1 A 108 108 GLN C C 108 175.798 175.366 0.432 1
1 1259 . 1 1 1 A 108 108 GLN CA C 108 55.820 57.270 -1.450 1
1 1260 . 1 1 1 A 108 108 GLN CB C 108 29.432 30.068 -0.636 1
1 1262 . 1 1 1 A 108 108 GLN N N 108 122.015 125.051 -3.036 1
1 1264 . 1 1 1 A 109 109 ALA H H 109 8.301 7.473 0.828 1
1 1265 . 1 1 1 A 109 109 ALA HA H 109 4.345 4.620 -0.275 1
1 1269 . 1 1 1 A 109 109 ALA C C 109 177.749 175.433 2.316 1
1 1270 . 1 1 1 A 109 109 ALA CA C 109 52.672 51.888 0.784 1
1 1271 . 1 1 1 A 109 109 ALA CB C 109 19.237 22.373 -3.136 1
1 1272 . 1 1 1 A 109 109 ALA N N 109 125.243 119.291 5.952 1
1 1273 . 1 1 1 A 110 110 SER H H 110 8.290 8.929 -0.639 1
1 1274 . 1 1 1 A 110 110 SER HA H 110 4.459 5.242 -0.783 1
1 1277 . 1 1 1 A 110 110 SER C C 110 174.593 174.199 0.394 1
1 1278 . 1 1 1 A 110 110 SER CA C 110 58.248 57.615 0.633 1
1 1279 . 1 1 1 A 110 110 SER CB C 110 63.918 64.746 -0.828 1
1 1280 . 1 1 1 A 110 110 SER N N 110 115.148 120.868 -5.720 1
1 1281 . 1 1 1 A 111 111 GLY H H 111 8.199 8.845 -0.646 1
1 1282 . 1 1 1 A 111 111 GLY HA2 H 111 4.167 4.497 -0.330 1
1 1283 . 1 1 1 A 111 111 GLY HA3 H 111 4.094 4.499 -0.405 1
1 1284 . 1 1 1 A 111 111 GLY C C 111 171.782 172.472 -0.690 1
1 1285 . 1 1 1 A 111 111 GLY CA C 111 44.652 46.042 -1.390 1
1 1286 . 1 1 1 A 111 111 GLY N N 111 110.586 114.115 -3.529 1
1 1287 . 1 1 1 A 112 112 PRO HA H 112 4.471 4.692 -0.221 1
1 1294 . 1 1 1 A 112 112 PRO CA C 112 63.154 62.611 0.543 1
1 1295 . 1 1 1 A 112 112 PRO CB C 112 32.314 30.365 1.949 1
1 1 . 2 1 1 A 7 7 GLY H H 7 9.055 8.905 0.150 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.908 3.922 -0.014 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 3.968 3.926 0.042 1
1 4 . 2 1 1 A 7 7 GLY C C 7 173.671 174.563 -0.892 1
1 5 . 2 1 1 A 7 7 GLY CA C 7 45.421 46.775 -1.354 1
1 6 . 2 1 1 A 8 8 LYS H H 8 8.145 8.030 0.115 1
1 7 . 2 1 1 A 8 8 LYS HA H 8 4.345 4.435 -0.090 1
1 16 . 2 1 1 A 8 8 LYS C C 8 175.255 175.964 -0.709 1
1 17 . 2 1 1 A 8 8 LYS CA C 8 56.330 55.978 0.352 1
1 18 . 2 1 1 A 8 8 LYS CB C 8 33.583 32.995 0.588 1
1 22 . 2 1 1 A 8 8 LYS N N 8 120.101 121.545 -1.444 1
1 23 . 2 1 1 A 9 9 VAL H H 9 7.579 7.481 0.098 1
1 24 . 2 1 1 A 9 9 VAL HA H 9 4.473 4.839 -0.366 1
1 32 . 2 1 1 A 9 9 VAL C C 9 174.860 174.168 0.692 1
1 33 . 2 1 1 A 9 9 VAL CA C 9 59.989 58.549 1.440 1
1 34 . 2 1 1 A 9 9 VAL CB C 9 34.218 36.565 -2.347 1
1 37 . 2 1 1 A 9 9 VAL N N 9 114.437 117.584 -3.147 1
1 38 . 2 1 1 A 10 10 LYS H H 10 8.236 8.636 -0.400 1
1 39 . 2 1 1 A 10 10 LYS HA H 10 4.345 4.571 -0.226 1
1 48 . 2 1 1 A 10 10 LYS C C 10 172.963 174.213 -1.250 1
1 49 . 2 1 1 A 10 10 LYS CA C 10 56.096 55.417 0.679 1
1 50 . 2 1 1 A 10 10 LYS CB C 10 36.131 35.982 0.149 1
1 54 . 2 1 1 A 10 10 LYS N N 10 122.938 121.836 1.102 1
1 55 . 2 1 1 A 11 11 SER H H 11 8.168 8.380 -0.212 1
1 56 . 2 1 1 A 11 11 SER HA H 11 5.669 5.366 0.303 1
1 59 . 2 1 1 A 11 11 SER C C 11 173.281 172.769 0.512 1
1 60 . 2 1 1 A 11 11 SER CA C 11 55.960 56.878 -0.918 1
1 61 . 2 1 1 A 11 11 SER CB C 11 66.326 66.377 -0.051 1
1 62 . 2 1 1 A 11 11 SER N N 11 119.068 116.768 2.300 1
1 63 . 2 1 1 A 12 12 GLY H H 12 8.248 7.890 0.358 1
1 64 . 2 1 1 A 12 12 GLY HA2 H 12 4.168 4.027 0.141 1
1 65 . 2 1 1 A 12 12 GLY HA3 H 12 3.478 4.201 -0.723 1
1 66 . 2 1 1 A 12 12 GLY C C 12 170.778 171.933 -1.155 1
1 67 . 2 1 1 A 12 12 GLY CA C 12 45.654 45.673 -0.019 1
1 68 . 2 1 1 A 12 12 GLY N N 12 108.756 106.978 1.778 1
1 69 . 2 1 1 A 13 13 TRP H H 13 8.622 8.729 -0.107 1
1 70 . 2 1 1 A 13 13 TRP HA H 13 5.398 4.733 0.665 1
1 79 . 2 1 1 A 13 13 TRP C C 13 177.511 176.092 1.419 1
1 80 . 2 1 1 A 13 13 TRP CA C 13 57.069 58.802 -1.733 1
1 81 . 2 1 1 A 13 13 TRP CB C 13 30.295 29.575 0.720 1
1 87 . 2 1 1 A 13 13 TRP N N 13 119.518 122.136 -2.618 1
1 89 . 2 1 1 A 14 14 LEU H H 14 9.524 8.923 0.601 1
1 90 . 2 1 1 A 14 14 LEU HA H 14 4.791 4.994 -0.203 1
1 100 . 2 1 1 A 14 14 LEU C C 14 175.381 175.526 -0.145 1
1 101 . 2 1 1 A 14 14 LEU CA C 14 54.096 53.229 0.867 1
1 102 . 2 1 1 A 14 14 LEU CB C 14 47.682 43.299 4.383 1
1 106 . 2 1 1 A 14 14 LEU N N 14 124.165 126.001 -1.836 1
1 107 . 2 1 1 A 15 15 ASP H H 15 8.335 8.418 -0.083 1
1 108 . 2 1 1 A 15 15 ASP HA H 15 5.424 5.450 -0.026 1
1 111 . 2 1 1 A 15 15 ASP C C 15 175.302 176.223 -0.921 1
1 112 . 2 1 1 A 15 15 ASP CA C 15 53.252 53.742 -0.490 1
1 113 . 2 1 1 A 15 15 ASP CB C 15 42.420 41.784 0.636 1
1 114 . 2 1 1 A 15 15 ASP N N 15 120.275 124.965 -4.690 1
1 115 . 2 1 1 A 16 16 LYS H H 16 9.444 8.534 0.910 1
1 116 . 2 1 1 A 16 16 LYS HA H 16 4.781 5.067 -0.286 1
1 125 . 2 1 1 A 16 16 LYS C C 16 176.244 174.952 1.292 1
1 126 . 2 1 1 A 16 16 LYS CA C 16 54.782 54.511 0.271 1
1 127 . 2 1 1 A 16 16 LYS CB C 16 36.666 33.900 2.766 1
1 131 . 2 1 1 A 16 16 LYS N N 16 125.854 121.667 4.187 1
1 132 . 2 1 1 A 17 17 LEU H H 17 8.387 8.352 0.035 1
1 133 . 2 1 1 A 17 17 LEU HA H 17 3.476 4.461 -0.985 1
1 143 . 2 1 1 A 17 17 LEU C C 17 175.840 176.281 -0.441 1
1 144 . 2 1 1 A 17 17 LEU CA C 17 55.715 53.495 2.220 1
1 145 . 2 1 1 A 17 17 LEU CB C 17 41.986 42.764 -0.778 1
1 149 . 2 1 1 A 17 17 LEU N N 17 130.736 122.488 8.248 1
1 150 . 2 1 1 A 18 18 SER H H 18 8.378 8.611 -0.233 1
1 151 . 2 1 1 A 18 18 SER HA H 18 4.563 4.306 0.257 1
1 154 . 2 1 1 A 18 18 SER C C 18 172.291 174.905 -2.614 1
1 155 . 2 1 1 A 18 18 SER CA C 18 55.697 63.324 -7.627 1
1 156 . 2 1 1 A 18 18 SER CB C 18 62.885 62.393 0.492 1
1 157 . 2 1 1 A 18 18 SER N N 18 123.037 121.053 1.984 1
1 158 . 2 1 1 A 19 19 PRO HA H 19 4.414 4.507 -0.093 1
1 165 . 2 1 1 A 19 19 PRO CA C 19 63.946 63.043 0.903 1
1 166 . 2 1 1 A 19 19 PRO CB C 19 32.128 32.231 -0.103 1
1 169 . 2 1 1 A 20 20 GLN H H 20 8.085 8.191 -0.106 1
1 170 . 2 1 1 A 20 20 GLN HA H 20 4.353 4.238 0.115 1
1 175 . 2 1 1 A 20 20 GLN CA C 20 55.533 57.719 -2.186 1
1 176 . 2 1 1 A 20 20 GLN CB C 20 30.130 29.679 0.451 1
1 178 . 2 1 1 A 20 20 GLN N N 20 119.721 120.945 -1.224 1
1 179 . 2 1 1 A 22 22 LYS H H 22 8.151 7.936 0.215 1
1 180 . 2 1 1 A 22 22 LYS HA H 22 4.165 4.210 -0.045 1
1 185 . 2 1 1 A 22 22 LYS C C 22 176.016 175.443 0.573 1
1 186 . 2 1 1 A 22 22 LYS CA C 22 56.717 56.228 0.489 1
1 187 . 2 1 1 A 22 22 LYS CB C 22 32.303 33.344 -1.041 1
1 191 . 2 1 1 A 23 23 ARG H H 23 8.329 8.521 -0.192 1
1 192 . 2 1 1 A 23 23 ARG HA H 23 3.937 4.583 -0.646 1
1 199 . 2 1 1 A 23 23 ARG C C 23 174.937 175.032 -0.095 1
1 200 . 2 1 1 A 23 23 ARG CA C 23 56.436 54.839 1.597 1
1 201 . 2 1 1 A 23 23 ARG CB C 23 29.144 31.183 -2.039 1
1 204 . 2 1 1 A 23 23 ARG N N 23 119.006 125.280 -6.274 1
1 205 . 2 1 1 A 24 24 MET H H 24 7.965 8.417 -0.452 1
1 206 . 2 1 1 A 24 24 MET HA H 24 4.492 5.262 -0.770 1
1 209 . 2 1 1 A 24 24 MET C C 24 174.737 174.947 -0.210 1
1 210 . 2 1 1 A 24 24 MET CA C 24 55.134 53.897 1.237 1
1 211 . 2 1 1 A 24 24 MET CB C 24 33.665 38.258 -4.593 1
1 213 . 2 1 1 A 24 24 MET N N 24 120.460 124.243 -3.783 1
1 214 . 2 1 1 A 25 25 PHE H H 25 8.593 8.773 -0.180 1
1 215 . 2 1 1 A 25 25 PHE HA H 25 4.788 5.303 -0.515 1
1 223 . 2 1 1 A 25 25 PHE C C 25 175.712 174.107 1.605 1
1 224 . 2 1 1 A 25 25 PHE CA C 25 57.421 56.246 1.175 1
1 225 . 2 1 1 A 25 25 PHE CB C 25 41.890 42.534 -0.644 1
1 231 . 2 1 1 A 25 25 PHE N N 25 121.330 117.225 4.105 1
1 232 . 2 1 1 A 26 26 GLN H H 26 8.758 8.832 -0.074 1
1 233 . 2 1 1 A 26 26 GLN HA H 26 4.777 4.976 -0.199 1
1 240 . 2 1 1 A 26 26 GLN C C 26 175.149 175.327 -0.178 1
1 241 . 2 1 1 A 26 26 GLN CA C 26 53.991 54.529 -0.538 1
1 242 . 2 1 1 A 26 26 GLN CB C 26 32.144 31.273 0.871 1
1 244 . 2 1 1 A 26 26 GLN N N 26 119.081 123.744 -4.663 1
1 246 . 2 1 1 A 27 27 LYS H H 27 8.913 8.839 0.074 1
1 247 . 2 1 1 A 27 27 LYS HA H 27 4.933 4.783 0.150 1
1 256 . 2 1 1 A 27 27 LYS C C 27 177.786 175.465 2.321 1
1 257 . 2 1 1 A 27 27 LYS CA C 27 57.843 56.653 1.190 1
1 258 . 2 1 1 A 27 27 LYS CB C 27 32.720 32.976 -0.256 1
1 262 . 2 1 1 A 27 27 LYS N N 27 126.903 128.904 -2.001 1
1 263 . 2 1 1 A 28 28 ARG H H 28 9.847 8.665 1.182 1
1 264 . 2 1 1 A 28 28 ARG HA H 28 5.236 5.285 -0.049 1
1 271 . 2 1 1 A 28 28 ARG C C 28 173.319 175.185 -1.866 1
1 272 . 2 1 1 A 28 28 ARG CA C 28 53.481 54.640 -1.159 1
1 273 . 2 1 1 A 28 28 ARG CB C 28 34.405 34.060 0.345 1
1 276 . 2 1 1 A 28 28 ARG N N 28 127.032 125.603 1.429 1
1 277 . 2 1 1 A 29 29 TRP H H 29 8.408 8.166 0.242 1
1 278 . 2 1 1 A 29 29 TRP HA H 29 4.424 4.012 0.412 1
1 285 . 2 1 1 A 29 29 TRP C C 29 174.606 175.142 -0.536 1
1 286 . 2 1 1 A 29 29 TRP CA C 29 56.383 58.499 -2.116 1
1 287 . 2 1 1 A 29 29 TRP CB C 29 29.226 29.535 -0.309 1
1 292 . 2 1 1 A 29 29 TRP N N 29 124.511 126.315 -1.804 1
1 293 . 2 1 1 A 30 30 VAL H H 30 8.464 7.769 0.695 1
1 294 . 2 1 1 A 30 30 VAL HA H 30 4.736 4.722 0.014 1
1 302 . 2 1 1 A 30 30 VAL C C 30 172.903 174.385 -1.482 1
1 303 . 2 1 1 A 30 30 VAL CA C 30 61.219 59.756 1.463 1
1 304 . 2 1 1 A 30 30 VAL CB C 30 32.925 34.895 -1.970 1
1 307 . 2 1 1 A 30 30 VAL N N 30 129.572 126.918 2.654 1
1 308 . 2 1 1 A 31 31 LYS H H 31 9.125 8.739 0.386 1
1 309 . 2 1 1 A 31 31 LYS HA H 31 5.095 4.885 0.210 1
1 318 . 2 1 1 A 31 31 LYS C C 31 175.396 174.100 1.296 1
1 319 . 2 1 1 A 31 31 LYS CA C 31 54.677 54.602 0.075 1
1 320 . 2 1 1 A 31 31 LYS CB C 31 37.036 36.385 0.651 1
1 324 . 2 1 1 A 31 31 LYS N N 31 124.358 127.121 -2.763 1
1 325 . 2 1 1 A 32 32 PHE H H 32 9.725 9.446 0.279 1
1 326 . 2 1 1 A 32 32 PHE HA H 32 5.905 5.067 0.838 1
1 334 . 2 1 1 A 32 32 PHE C C 32 174.555 174.560 -0.005 1
1 335 . 2 1 1 A 32 32 PHE CA C 32 56.224 56.663 -0.439 1
1 336 . 2 1 1 A 32 32 PHE CB C 32 41.804 41.259 0.545 1
1 342 . 2 1 1 A 32 32 PHE N N 32 125.979 128.545 -2.566 1
1 343 . 2 1 1 A 33 33 ASP H H 33 7.884 8.189 -0.305 1
1 344 . 2 1 1 A 33 33 ASP HA H 33 4.555 4.629 -0.074 1
1 347 . 2 1 1 A 33 33 ASP C C 33 175.730 175.864 -0.134 1
1 348 . 2 1 1 A 33 33 ASP CA C 33 52.602 53.093 -0.491 1
1 349 . 2 1 1 A 33 33 ASP CB C 33 41.686 40.956 0.730 1
1 350 . 2 1 1 A 33 33 ASP N N 33 126.924 127.735 -0.811 1
1 351 . 2 1 1 A 34 34 GLY H H 34 4.680 6.088 -1.408 1
1 352 . 2 1 1 A 34 34 GLY HA2 H 34 4.252 3.198 1.054 1
1 353 . 2 1 1 A 34 34 GLY HA3 H 34 3.023 3.667 -0.644 1
1 354 . 2 1 1 A 34 34 GLY C C 34 172.363 175.633 -3.270 1
1 355 . 2 1 1 A 34 34 GLY CA C 34 45.672 44.833 0.839 1
1 356 . 2 1 1 A 35 35 LEU H H 35 8.148 7.982 0.166 1
1 357 . 2 1 1 A 35 35 LEU HA H 35 4.623 4.107 0.516 1
1 367 . 2 1 1 A 35 35 LEU C C 35 177.783 177.060 0.723 1
1 368 . 2 1 1 A 35 35 LEU CA C 35 55.978 57.346 -1.368 1
1 369 . 2 1 1 A 35 35 LEU CB C 35 44.352 42.110 2.242 1
1 373 . 2 1 1 A 35 35 LEU N N 35 120.632 121.456 -0.824 1
1 374 . 2 1 1 A 36 36 SER H H 36 9.064 7.965 1.099 1
1 375 . 2 1 1 A 36 36 SER HA H 36 5.059 5.130 -0.071 1
1 378 . 2 1 1 A 36 36 SER C C 36 173.878 172.864 1.014 1
1 379 . 2 1 1 A 36 36 SER CA C 36 57.667 57.208 0.459 1
1 380 . 2 1 1 A 36 36 SER CB C 36 66.140 66.734 -0.594 1
1 381 . 2 1 1 A 36 36 SER N N 36 115.030 109.494 5.536 1
1 382 . 2 1 1 A 37 37 ILE H H 37 8.981 9.096 -0.115 1
1 383 . 2 1 1 A 37 37 ILE HA H 37 5.055 4.992 0.063 1
1 393 . 2 1 1 A 37 37 ILE C C 37 174.995 174.840 0.155 1
1 394 . 2 1 1 A 37 37 ILE CA C 37 61.061 60.641 0.420 1
1 395 . 2 1 1 A 37 37 ILE CB C 37 39.355 38.464 0.891 1
1 399 . 2 1 1 A 37 37 ILE N N 37 122.186 121.389 0.797 1
1 400 . 2 1 1 A 38 38 SER H H 38 9.422 8.967 0.455 1
1 401 . 2 1 1 A 38 38 SER HA H 38 5.297 4.794 0.503 1
1 404 . 2 1 1 A 38 38 SER C C 38 172.177 173.472 -1.295 1
1 405 . 2 1 1 A 38 38 SER CA C 38 56.910 58.096 -1.186 1
1 406 . 2 1 1 A 38 38 SER CB C 38 66.018 64.007 2.011 1
1 407 . 2 1 1 A 38 38 SER N N 38 122.548 125.062 -2.514 1
1 408 . 2 1 1 A 39 39 TYR H H 39 7.649 8.378 -0.729 1
1 409 . 2 1 1 A 39 39 TYR HA H 39 6.025 6.008 0.017 1
1 416 . 2 1 1 A 39 39 TYR C C 39 173.937 173.188 0.749 1
1 417 . 2 1 1 A 39 39 TYR CA C 39 54.144 55.356 -1.212 1
1 418 . 2 1 1 A 39 39 TYR CB C 39 41.722 41.714 0.008 1
1 423 . 2 1 1 A 39 39 TYR N N 39 116.176 122.244 -6.068 1
1 424 . 2 1 1 A 40 40 TYR H H 40 9.647 9.205 0.442 1
1 425 . 2 1 1 A 40 40 TYR HA H 40 5.044 5.125 -0.081 1
1 432 . 2 1 1 A 40 40 TYR CA C 40 56.928 56.949 -0.021 1
1 433 . 2 1 1 A 40 40 TYR CB C 40 43.678 42.773 0.905 1
1 438 . 2 1 1 A 40 40 TYR N N 40 118.964 121.258 -2.294 1
1 439 . 2 1 1 A 41 41 ASN H H 41 7.712 9.127 -1.415 1
1 440 . 2 1 1 A 41 41 ASN HA H 41 4.867 5.544 -0.677 1
1 445 . 2 1 1 A 41 41 ASN CB C 41 39.279 40.913 -1.634 1
1 446 . 2 1 1 A 41 41 ASN N N 41 109.731 117.738 -8.007 1
1 448 . 2 1 1 A 42 42 ASN H H 42 9.215 8.760 0.455 1
1 449 . 2 1 1 A 42 42 ASN HA H 42 4.868 4.993 -0.125 1
1 452 . 2 1 1 A 42 42 ASN CA C 42 52.812 52.360 0.452 1
1 453 . 2 1 1 A 42 42 ASN CB C 42 39.180 39.199 -0.019 1
1 458 . 2 1 1 A 44 44 LYS CB C 44 35.364 35.837 -0.473 1
1 460 . 2 1 1 A 46 46 MET H H 46 8.285 7.706 0.579 1
1 461 . 2 1 1 A 46 46 MET HA H 46 4.218 5.146 -0.928 1
1 466 . 2 1 1 A 46 46 MET CA C 46 56.523 54.172 2.351 1
1 467 . 2 1 1 A 46 46 MET CB C 46 33.665 38.736 -5.071 1
1 469 . 2 1 1 A 47 47 TYR H H 47 7.965 8.649 -0.684 1
1 470 . 2 1 1 A 47 47 TYR HA H 47 4.935 5.157 -0.222 1
1 477 . 2 1 1 A 47 47 TYR CA C 47 55.861 56.932 -1.071 1
1 478 . 2 1 1 A 47 47 TYR CB C 47 38.476 42.210 -3.734 1
1 483 . 2 1 1 A 47 47 TYR N N 47 117.521 118.063 -0.542 1
1 484 . 2 1 1 A 49 49 LYS H H 49 8.704 8.418 0.286 1
1 485 . 2 1 1 A 49 49 LYS HA H 49 4.369 4.157 0.212 1
1 494 . 2 1 1 A 49 49 LYS CA C 49 54.891 56.110 -1.219 1
1 495 . 2 1 1 A 49 49 LYS CB C 49 32.501 33.004 -0.503 1
1 499 . 2 1 1 A 50 50 GLY H H 50 6.985 8.089 -1.104 1
1 500 . 2 1 1 A 50 50 GLY HA2 H 50 3.825 3.467 0.358 1
1 501 . 2 1 1 A 50 50 GLY HA3 H 50 3.265 4.036 -0.771 1
1 502 . 2 1 1 A 50 50 GLY C C 50 170.241 171.837 -1.596 1
1 503 . 2 1 1 A 50 50 GLY CA C 50 45.039 45.241 -0.202 1
1 504 . 2 1 1 A 50 50 GLY N N 50 108.097 106.618 1.479 1
1 505 . 2 1 1 A 51 51 ILE H H 51 7.890 8.982 -1.092 1
1 506 . 2 1 1 A 51 51 ILE HA H 51 4.777 5.051 -0.274 1
1 516 . 2 1 1 A 51 51 ILE C C 51 175.026 173.075 1.951 1
1 517 . 2 1 1 A 51 51 ILE CA C 51 60.217 58.987 1.230 1
1 518 . 2 1 1 A 51 51 ILE CB C 51 42.388 42.114 0.274 1
1 522 . 2 1 1 A 51 51 ILE N N 51 117.769 124.259 -6.490 1
1 523 . 2 1 1 A 52 52 ILE H H 52 9.485 9.020 0.465 1
1 524 . 2 1 1 A 52 52 ILE HA H 52 4.533 4.706 -0.173 1
1 534 . 2 1 1 A 52 52 ILE C C 52 173.526 174.508 -0.982 1
1 535 . 2 1 1 A 52 52 ILE CA C 52 57.983 57.578 0.405 1
1 536 . 2 1 1 A 52 52 ILE CB C 52 40.324 40.565 -0.241 1
1 540 . 2 1 1 A 52 52 ILE N N 52 127.899 127.598 0.301 1
1 541 . 2 1 1 A 53 53 PRO HA H 53 4.501 4.749 -0.248 1
1 548 . 2 1 1 A 53 53 PRO C C 53 177.663 178.153 -0.490 1
1 549 . 2 1 1 A 53 53 PRO CA C 53 62.838 62.944 -0.106 1
1 550 . 2 1 1 A 53 53 PRO CB C 53 31.939 32.123 -0.184 1
1 553 . 2 1 1 A 54 54 LEU H H 54 8.647 8.694 -0.047 1
1 554 . 2 1 1 A 54 54 LEU HA H 54 3.985 4.200 -0.215 1
1 564 . 2 1 1 A 54 54 LEU C C 54 178.940 178.153 0.787 1
1 565 . 2 1 1 A 54 54 LEU CA C 54 58.371 57.804 0.567 1
1 566 . 2 1 1 A 54 54 LEU CB C 54 42.388 41.610 0.778 1
1 570 . 2 1 1 A 54 54 LEU N N 54 124.847 127.097 -2.250 1
1 571 . 2 1 1 A 55 55 SER H H 55 8.278 8.405 -0.127 1
1 572 . 2 1 1 A 55 55 SER HA H 55 4.169 4.241 -0.072 1
1 575 . 2 1 1 A 55 55 SER C C 55 174.956 177.359 -2.403 1
1 576 . 2 1 1 A 55 55 SER CA C 55 59.971 61.419 -1.448 1
1 577 . 2 1 1 A 55 55 SER CB C 55 62.721 62.307 0.414 1
1 578 . 2 1 1 A 55 55 SER N N 55 109.639 114.385 -4.746 1
1 579 . 2 1 1 A 56 56 ALA H H 56 7.796 8.016 -0.220 1
1 580 . 2 1 1 A 56 56 ALA HA H 56 4.545 4.193 0.352 1
1 584 . 2 1 1 A 56 56 ALA C C 56 177.505 178.766 -1.261 1
1 585 . 2 1 1 A 56 56 ALA CA C 56 52.022 55.295 -3.273 1
1 586 . 2 1 1 A 56 56 ALA CB C 56 20.240 18.079 2.161 1
1 587 . 2 1 1 A 56 56 ALA N N 56 123.057 122.423 0.634 1
1 588 . 2 1 1 A 57 57 ILE H H 57 7.664 7.251 0.413 1
1 589 . 2 1 1 A 57 57 ILE HA H 57 4.035 4.478 -0.443 1
1 599 . 2 1 1 A 57 57 ILE C C 57 175.285 176.273 -0.988 1
1 600 . 2 1 1 A 57 57 ILE CA C 57 62.697 62.319 0.378 1
1 601 . 2 1 1 A 57 57 ILE CB C 57 38.474 37.167 1.307 1
1 605 . 2 1 1 A 57 57 ILE N N 57 119.512 118.586 0.926 1
1 606 . 2 1 1 A 58 58 SER H H 58 9.364 8.830 0.534 1
1 607 . 2 1 1 A 58 58 SER HA H 58 4.526 4.475 0.051 1
1 610 . 2 1 1 A 58 58 SER C C 58 175.125 173.844 1.281 1
1 611 . 2 1 1 A 58 58 SER CA C 58 59.215 60.646 -1.431 1
1 612 . 2 1 1 A 58 58 SER CB C 58 63.590 63.501 0.089 1
1 613 . 2 1 1 A 58 58 SER N N 58 122.513 124.069 -1.556 1
1 614 . 2 1 1 A 59 59 THR H H 59 7.502 7.642 -0.140 1
1 615 . 2 1 1 A 59 59 THR HA H 59 4.355 4.671 -0.316 1
1 620 . 2 1 1 A 59 59 THR C C 59 170.784 171.859 -1.075 1
1 621 . 2 1 1 A 59 59 THR CA C 59 61.132 60.779 0.353 1
1 622 . 2 1 1 A 59 59 THR CB C 59 68.686 70.722 -2.036 1
1 624 . 2 1 1 A 59 59 THR N N 59 112.470 112.908 -0.438 1
1 625 . 2 1 1 A 60 60 VAL H H 60 7.766 8.488 -0.722 1
1 626 . 2 1 1 A 60 60 VAL HA H 60 5.326 5.247 0.079 1
1 634 . 2 1 1 A 60 60 VAL C C 60 174.166 174.346 -0.180 1
1 635 . 2 1 1 A 60 60 VAL CA C 60 60.410 60.412 -0.002 1
1 636 . 2 1 1 A 60 60 VAL CB C 60 34.979 34.820 0.159 1
1 639 . 2 1 1 A 60 60 VAL N N 60 121.276 125.516 -4.240 1
1 640 . 2 1 1 A 61 61 ARG H H 61 8.941 8.873 0.068 1
1 641 . 2 1 1 A 61 61 ARG HA H 61 5.053 5.004 0.049 1
1 648 . 2 1 1 A 61 61 ARG C C 61 175.460 175.179 0.281 1
1 649 . 2 1 1 A 61 61 ARG CA C 61 54.166 54.410 -0.244 1
1 650 . 2 1 1 A 61 61 ARG CB C 61 34.000 33.907 0.093 1
1 653 . 2 1 1 A 61 61 ARG N N 61 121.101 124.146 -3.045 1
1 654 . 2 1 1 A 62 62 VAL H H 62 8.627 8.571 0.056 1
1 655 . 2 1 1 A 62 62 VAL HA H 62 4.195 4.299 -0.104 1
1 663 . 2 1 1 A 62 62 VAL C C 62 175.216 175.888 -0.672 1
1 664 . 2 1 1 A 62 62 VAL CA C 62 62.926 62.042 0.884 1
1 665 . 2 1 1 A 62 62 VAL CB C 62 33.459 32.878 0.581 1
1 668 . 2 1 1 A 62 62 VAL N N 62 118.451 118.609 -0.158 1
1 669 . 2 1 1 A 63 63 GLN H H 63 7.628 8.967 -1.339 1
1 670 . 2 1 1 A 63 63 GLN HA H 63 4.575 4.828 -0.253 1
1 677 . 2 1 1 A 63 63 GLN C C 63 174.418 176.391 -1.973 1
1 678 . 2 1 1 A 63 63 GLN CA C 63 55.451 54.482 0.969 1
1 679 . 2 1 1 A 63 63 GLN CB C 63 32.062 32.172 -0.110 1
1 681 . 2 1 1 A 63 63 GLN N N 63 123.160 122.483 0.677 1
1 683 . 2 1 1 A 64 64 GLY H H 64 8.678 8.850 -0.172 1
1 684 . 2 1 1 A 64 64 GLY HA2 H 64 4.025 3.899 0.126 1
1 685 . 2 1 1 A 64 64 GLY HA3 H 64 3.895 3.903 -0.008 1
1 686 . 2 1 1 A 64 64 GLY C C 64 174.592 174.779 -0.187 1
1 687 . 2 1 1 A 64 64 GLY CA C 64 45.531 47.167 -1.636 1
1 688 . 2 1 1 A 64 64 GLY N N 64 112.406 111.263 1.143 1
1 689 . 2 1 1 A 65 65 ASP HA H 65 4.625 4.926 -0.301 1
1 692 . 2 1 1 A 65 65 ASP C C 65 176.902 177.017 -0.115 1
1 693 . 2 1 1 A 65 65 ASP CA C 65 55.486 55.045 0.441 1
1 694 . 2 1 1 A 65 65 ASP CB C 65 40.817 43.613 -2.796 1
1 695 . 2 1 1 A 66 66 ASN H H 66 7.979 8.349 -0.370 1
1 696 . 2 1 1 A 66 66 ASN HA H 66 4.554 4.880 -0.326 1
1 701 . 2 1 1 A 66 66 ASN C C 66 174.456 173.812 0.644 1
1 702 . 2 1 1 A 66 66 ASN CA C 66 52.795 52.974 -0.179 1
1 703 . 2 1 1 A 66 66 ASN CB C 66 37.981 39.018 -1.037 1
1 704 . 2 1 1 A 66 66 ASN N N 66 112.071 115.463 -3.392 1
1 706 . 2 1 1 A 67 67 LYS H H 67 7.476 7.324 0.152 1
1 707 . 2 1 1 A 67 67 LYS HA H 67 5.914 4.996 0.918 1
1 716 . 2 1 1 A 67 67 LYS C C 67 177.922 175.184 2.738 1
1 717 . 2 1 1 A 67 67 LYS CA C 67 54.906 54.695 0.211 1
1 718 . 2 1 1 A 67 67 LYS CB C 67 36.707 37.565 -0.858 1
1 722 . 2 1 1 A 67 67 LYS N N 67 115.613 117.468 -1.855 1
1 723 . 2 1 1 A 68 68 PHE H H 68 9.227 8.279 0.948 1
1 724 . 2 1 1 A 68 68 PHE HA H 68 5.296 5.010 0.286 1
1 732 . 2 1 1 A 68 68 PHE C C 68 171.230 172.067 -0.837 1
1 733 . 2 1 1 A 68 68 PHE CA C 68 56.576 56.345 0.231 1
1 734 . 2 1 1 A 68 68 PHE CB C 68 42.790 41.315 1.475 1
1 740 . 2 1 1 A 68 68 PHE N N 68 117.009 116.915 0.094 1
1 741 . 2 1 1 A 69 69 GLU H H 69 9.527 9.419 0.108 1
1 742 . 2 1 1 A 69 69 GLU HA H 69 5.434 5.021 0.413 1
1 747 . 2 1 1 A 69 69 GLU C C 69 175.659 175.695 -0.036 1
1 748 . 2 1 1 A 69 69 GLU CA C 69 53.429 55.173 -1.744 1
1 749 . 2 1 1 A 69 69 GLU CB C 69 33.460 32.670 0.790 1
1 751 . 2 1 1 A 69 69 GLU N N 69 119.470 120.420 -0.950 1
1 752 . 2 1 1 A 70 70 VAL H H 70 9.486 9.415 0.071 1
1 753 . 2 1 1 A 70 70 VAL HA H 70 4.486 4.589 -0.103 1
1 761 . 2 1 1 A 70 70 VAL C C 70 174.403 175.636 -1.233 1
1 762 . 2 1 1 A 70 70 VAL CA C 70 62.240 61.513 0.727 1
1 763 . 2 1 1 A 70 70 VAL CB C 70 33.706 31.988 1.718 1
1 766 . 2 1 1 A 70 70 VAL N N 70 123.935 127.034 -3.099 1
1 767 . 2 1 1 A 71 71 VAL H H 71 8.658 8.641 0.017 1
1 768 . 2 1 1 A 71 71 VAL HA H 71 4.345 4.535 -0.190 1
1 776 . 2 1 1 A 71 71 VAL C C 71 175.524 175.657 -0.133 1
1 777 . 2 1 1 A 71 71 VAL CA C 71 63.365 63.035 0.330 1
1 778 . 2 1 1 A 71 71 VAL CB C 71 32.802 32.176 0.626 1
1 781 . 2 1 1 A 71 71 VAL N N 71 129.195 128.458 0.737 1
1 782 . 2 1 1 A 72 72 THR H H 72 8.134 8.291 -0.157 1
1 783 . 2 1 1 A 72 72 THR HA H 72 5.515 5.326 0.189 1
1 788 . 2 1 1 A 72 72 THR C C 72 174.609 175.013 -0.404 1
1 789 . 2 1 1 A 72 72 THR CA C 72 59.496 59.336 0.160 1
1 790 . 2 1 1 A 72 72 THR CB C 72 72.139 72.690 -0.551 1
1 792 . 2 1 1 A 72 72 THR N N 72 117.639 117.313 0.326 1
1 793 . 2 1 1 A 73 73 THR H H 73 8.944 9.067 -0.123 1
1 794 . 2 1 1 A 73 73 THR HA H 73 3.966 3.930 0.036 1
1 799 . 2 1 1 A 73 73 THR C C 73 175.783 175.980 -0.197 1
1 800 . 2 1 1 A 73 73 THR CA C 73 65.880 66.699 -0.819 1
1 801 . 2 1 1 A 73 73 THR CB C 73 68.604 68.916 -0.312 1
1 803 . 2 1 1 A 73 73 THR N N 73 114.027 117.836 -3.809 1
1 804 . 2 1 1 A 74 74 GLN H H 74 7.997 7.936 0.061 1
1 805 . 2 1 1 A 74 74 GLN HA H 74 4.350 4.111 0.239 1
1 812 . 2 1 1 A 74 74 GLN C C 74 175.698 176.094 -0.396 1
1 813 . 2 1 1 A 74 74 GLN CA C 74 56.910 58.568 -1.658 1
1 814 . 2 1 1 A 74 74 GLN CB C 74 30.624 29.153 1.471 1
1 816 . 2 1 1 A 74 74 GLN N N 74 115.670 118.207 -2.537 1
1 818 . 2 1 1 A 75 75 ARG H H 75 7.366 7.532 -0.166 1
1 819 . 2 1 1 A 75 75 ARG HA H 75 4.395 4.499 -0.104 1
1 826 . 2 1 1 A 75 75 ARG C C 75 174.546 174.613 -0.067 1
1 827 . 2 1 1 A 75 75 ARG CA C 75 55.802 54.859 0.943 1
1 828 . 2 1 1 A 75 75 ARG CB C 75 32.514 33.040 -0.526 1
1 831 . 2 1 1 A 75 75 ARG N N 75 115.650 112.893 2.757 1
1 832 . 2 1 1 A 76 76 THR H H 76 8.679 8.542 0.137 1
1 833 . 2 1 1 A 76 76 THR HA H 76 5.065 4.173 0.892 1
1 838 . 2 1 1 A 76 76 THR C C 76 173.239 173.732 -0.493 1
1 839 . 2 1 1 A 76 76 THR CA C 76 61.888 63.669 -1.781 1
1 840 . 2 1 1 A 76 76 THR CB C 76 69.878 69.659 0.219 1
1 842 . 2 1 1 A 76 76 THR N N 76 120.285 118.528 1.757 1
1 843 . 2 1 1 A 77 77 PHE H H 77 9.156 9.419 -0.263 1
1 844 . 2 1 1 A 77 77 PHE HA H 77 4.385 4.933 -0.548 1
1 852 . 2 1 1 A 77 77 PHE C C 77 174.028 174.531 -0.503 1
1 853 . 2 1 1 A 77 77 PHE CA C 77 56.822 55.807 1.015 1
1 854 . 2 1 1 A 77 77 PHE CB C 77 41.640 43.551 -1.911 1
1 860 . 2 1 1 A 77 77 PHE N N 77 127.212 123.595 3.617 1
1 861 . 2 1 1 A 78 78 VAL H H 78 8.374 8.570 -0.196 1
1 862 . 2 1 1 A 78 78 VAL HA H 78 4.506 4.513 -0.007 1
1 870 . 2 1 1 A 78 78 VAL C C 78 173.264 174.710 -1.446 1
1 871 . 2 1 1 A 78 78 VAL CA C 78 61.730 61.319 0.411 1
1 872 . 2 1 1 A 78 78 VAL CB C 78 33.254 33.737 -0.483 1
1 875 . 2 1 1 A 78 78 VAL N N 78 123.393 119.684 3.709 1
1 876 . 2 1 1 A 79 79 PHE H H 79 8.458 8.158 0.300 1
1 877 . 2 1 1 A 79 79 PHE HA H 79 5.403 5.027 0.376 1
1 885 . 2 1 1 A 79 79 PHE C C 79 173.855 173.988 -0.133 1
1 886 . 2 1 1 A 79 79 PHE CA C 79 55.151 56.194 -1.043 1
1 887 . 2 1 1 A 79 79 PHE CB C 79 42.913 41.767 1.146 1
1 893 . 2 1 1 A 79 79 PHE N N 79 123.801 125.785 -1.984 1
1 894 . 2 1 1 A 80 80 ARG H H 80 9.407 8.414 0.993 1
1 895 . 2 1 1 A 80 80 ARG HA H 80 5.134 4.972 0.162 1
1 902 . 2 1 1 A 80 80 ARG C C 80 174.634 174.790 -0.156 1
1 903 . 2 1 1 A 80 80 ARG CA C 80 54.431 54.127 0.304 1
1 904 . 2 1 1 A 80 80 ARG CB C 80 35.227 33.748 1.479 1
1 907 . 2 1 1 A 80 80 ARG N N 80 121.570 120.997 0.573 1
1 908 . 2 1 1 A 81 81 VAL H H 81 8.544 8.522 0.022 1
1 909 . 2 1 1 A 81 81 VAL HA H 81 4.708 4.805 -0.097 1
1 917 . 2 1 1 A 81 81 VAL C C 81 175.050 175.580 -0.530 1
1 918 . 2 1 1 A 81 81 VAL CA C 81 59.602 59.554 0.048 1
1 919 . 2 1 1 A 81 81 VAL CB C 81 33.706 34.569 -0.863 1
1 922 . 2 1 1 A 81 81 VAL N N 81 122.128 120.329 1.799 1
1 923 . 2 1 1 A 82 82 GLU H H 82 8.549 8.917 -0.368 1
1 924 . 2 1 1 A 82 82 GLU HA H 82 4.132 4.554 -0.422 1
1 929 . 2 1 1 A 82 82 GLU C C 82 176.909 176.385 0.524 1
1 930 . 2 1 1 A 82 82 GLU CA C 82 58.973 57.081 1.892 1
1 931 . 2 1 1 A 82 82 GLU CB C 82 30.582 31.652 -1.070 1
1 933 . 2 1 1 A 82 82 GLU N N 82 121.776 119.693 2.083 1
1 934 . 2 1 1 A 83 83 LYS H H 83 7.618 7.613 0.005 1
1 935 . 2 1 1 A 83 83 LYS HA H 83 4.708 4.680 0.028 1
1 944 . 2 1 1 A 83 83 LYS C C 83 176.665 176.359 0.306 1
1 945 . 2 1 1 A 83 83 LYS CA C 83 54.694 54.836 -0.142 1
1 946 . 2 1 1 A 83 83 LYS CB C 83 34.775 35.956 -1.181 1
1 950 . 2 1 1 A 83 83 LYS N N 83 115.778 118.113 -2.335 1
1 951 . 2 1 1 A 84 84 GLU H H 84 9.150 8.946 0.204 1
1 952 . 2 1 1 A 84 84 GLU HA H 84 3.953 3.892 0.061 1
1 957 . 2 1 1 A 84 84 GLU C C 84 178.243 178.133 0.110 1
1 958 . 2 1 1 A 84 84 GLU CA C 84 60.217 60.205 0.012 1
1 959 . 2 1 1 A 84 84 GLU CB C 84 29.843 29.586 0.257 1
1 961 . 2 1 1 A 84 84 GLU N N 84 127.798 124.875 2.923 1
1 962 . 2 1 1 A 85 85 GLU H H 85 9.626 8.274 1.352 1
1 963 . 2 1 1 A 85 85 GLU HA H 85 4.100 4.080 0.020 1
1 968 . 2 1 1 A 85 85 GLU C C 85 178.948 179.377 -0.429 1
1 969 . 2 1 1 A 85 85 GLU CA C 85 59.847 59.151 0.696 1
1 970 . 2 1 1 A 85 85 GLU CB C 85 28.897 29.145 -0.248 1
1 972 . 2 1 1 A 85 85 GLU N N 85 117.844 118.681 -0.837 1
1 973 . 2 1 1 A 86 86 GLU H H 86 7.257 8.465 -1.208 1
1 974 . 2 1 1 A 86 86 GLU HA H 86 4.365 4.030 0.335 1
1 979 . 2 1 1 A 86 86 GLU C C 86 178.607 179.342 -0.735 1
1 980 . 2 1 1 A 86 86 GLU CA C 86 58.089 59.451 -1.362 1
1 981 . 2 1 1 A 86 86 GLU CB C 86 30.212 29.377 0.835 1
1 983 . 2 1 1 A 86 86 GLU N N 86 118.075 120.393 -2.318 1
1 984 . 2 1 1 A 87 87 ARG H H 87 7.919 7.556 0.363 1
1 985 . 2 1 1 A 87 87 ARG HA H 87 3.838 4.102 -0.264 1
1 992 . 2 1 1 A 87 87 ARG C C 87 177.977 178.977 -1.000 1
1 993 . 2 1 1 A 87 87 ARG CA C 87 60.815 59.371 1.444 1
1 994 . 2 1 1 A 87 87 ARG CB C 87 28.856 30.128 -1.272 1
1 997 . 2 1 1 A 87 87 ARG N N 87 121.287 120.749 0.538 1
1 998 . 2 1 1 A 88 88 ASN H H 88 8.421 7.671 0.750 1
1 999 . 2 1 1 A 88 88 ASN HA H 88 4.295 4.446 -0.151 1
1 1004 . 2 1 1 A 88 88 ASN C C 88 177.423 177.703 -0.280 1
1 1005 . 2 1 1 A 88 88 ASN CA C 88 55.627 56.427 -0.800 1
1 1006 . 2 1 1 A 88 88 ASN CB C 88 37.136 38.198 -1.062 1
1 1007 . 2 1 1 A 88 88 ASN N N 88 116.926 117.199 -0.273 1
1 1009 . 2 1 1 A 89 89 ASP H H 89 7.790 7.900 -0.110 1
1 1010 . 2 1 1 A 89 89 ASP HA H 89 4.389 4.254 0.135 1
1 1013 . 2 1 1 A 89 89 ASP C C 89 177.683 178.647 -0.964 1
1 1014 . 2 1 1 A 89 89 ASP CA C 89 57.737 57.426 0.311 1
1 1015 . 2 1 1 A 89 89 ASP CB C 89 41.352 40.395 0.957 1
1 1016 . 2 1 1 A 89 89 ASP N N 89 121.867 118.614 3.253 1
1 1017 . 2 1 1 A 90 90 TRP H H 90 7.690 8.200 -0.510 1
1 1018 . 2 1 1 A 90 90 TRP HA H 90 3.666 4.202 -0.536 1
1 1027 . 2 1 1 A 90 90 TRP C C 90 177.880 178.419 -0.539 1
1 1028 . 2 1 1 A 90 90 TRP CA C 90 61.704 59.603 2.101 1
1 1029 . 2 1 1 A 90 90 TRP CB C 90 29.594 29.163 0.431 1
1 1035 . 2 1 1 A 90 90 TRP N N 90 117.617 119.158 -1.541 1
1 1037 . 2 1 1 A 91 91 ILE H H 91 7.654 7.941 -0.287 1
1 1038 . 2 1 1 A 91 91 ILE HA H 91 3.275 3.534 -0.259 1
1 1048 . 2 1 1 A 91 91 ILE C C 91 177.138 177.872 -0.734 1
1 1049 . 2 1 1 A 91 91 ILE CA C 91 65.001 65.166 -0.165 1
1 1050 . 2 1 1 A 91 91 ILE CB C 91 36.913 37.567 -0.654 1
1 1054 . 2 1 1 A 91 91 ILE N N 91 114.248 120.454 -6.206 1
1 1055 . 2 1 1 A 92 92 SER H H 92 8.055 8.324 -0.269 1
1 1056 . 2 1 1 A 92 92 SER HA H 92 4.045 4.114 -0.069 1
1 1059 . 2 1 1 A 92 92 SER C C 92 177.204 177.125 0.079 1
1 1060 . 2 1 1 A 92 92 SER CA C 92 61.923 61.733 0.190 1
1 1061 . 2 1 1 A 92 92 SER CB C 92 62.767 62.981 -0.214 1
1 1062 . 2 1 1 A 92 92 SER N N 92 114.018 115.276 -1.258 1
1 1063 . 2 1 1 A 93 93 ILE H H 93 7.926 8.035 -0.109 1
1 1064 . 2 1 1 A 93 93 ILE HA H 93 3.795 3.675 0.120 1
1 1074 . 2 1 1 A 93 93 ILE C C 93 178.947 178.319 0.628 1
1 1075 . 2 1 1 A 93 93 ILE CA C 93 64.825 65.205 -0.380 1
1 1076 . 2 1 1 A 93 93 ILE CB C 93 37.693 37.969 -0.276 1
1 1080 . 2 1 1 A 93 93 ILE N N 93 120.974 120.762 0.212 1
1 1081 . 2 1 1 A 94 94 LEU H H 94 7.678 8.020 -0.342 1
1 1082 . 2 1 1 A 94 94 LEU HA H 94 3.634 3.775 -0.141 1
1 1092 . 2 1 1 A 94 94 LEU C C 94 178.551 178.878 -0.327 1
1 1093 . 2 1 1 A 94 94 LEU CA C 94 57.861 57.935 -0.074 1
1 1094 . 2 1 1 A 94 94 LEU CB C 94 42.356 41.799 0.557 1
1 1098 . 2 1 1 A 94 94 LEU N N 94 121.223 119.562 1.661 1
1 1099 . 2 1 1 A 95 95 LEU H H 95 8.954 8.086 0.868 1
1 1100 . 2 1 1 A 95 95 LEU HA H 95 4.037 3.851 0.186 1
1 1110 . 2 1 1 A 95 95 LEU C C 95 180.858 179.041 1.817 1
1 1111 . 2 1 1 A 95 95 LEU CA C 95 58.194 58.135 0.059 1
1 1112 . 2 1 1 A 95 95 LEU CB C 95 41.286 41.588 -0.302 1
1 1116 . 2 1 1 A 95 95 LEU N N 95 118.177 117.970 0.207 1
1 1117 . 2 1 1 A 96 96 ASN H H 96 8.235 8.438 -0.203 1
1 1118 . 2 1 1 A 96 96 ASN HA H 96 4.445 4.373 0.072 1
1 1123 . 2 1 1 A 96 96 ASN C C 96 177.901 177.432 0.469 1
1 1124 . 2 1 1 A 96 96 ASN CA C 96 56.347 57.031 -0.684 1
1 1125 . 2 1 1 A 96 96 ASN CB C 96 38.105 39.752 -1.647 1
1 1126 . 2 1 1 A 96 96 ASN N N 96 117.502 116.995 0.507 1
1 1128 . 2 1 1 A 97 97 ALA H H 97 7.756 7.709 0.047 1
1 1129 . 2 1 1 A 97 97 ALA HA H 97 4.305 4.186 0.119 1
1 1133 . 2 1 1 A 97 97 ALA C C 97 180.315 180.127 0.188 1
1 1134 . 2 1 1 A 97 97 ALA CA C 97 54.906 55.090 -0.184 1
1 1135 . 2 1 1 A 97 97 ALA CB C 97 19.214 18.470 0.744 1
1 1136 . 2 1 1 A 97 97 ALA N N 97 123.457 122.071 1.386 1
1 1137 . 2 1 1 A 98 98 LEU H H 98 8.335 8.449 -0.114 1
1 1138 . 2 1 1 A 98 98 LEU HA H 98 4.055 3.943 0.112 1
1 1148 . 2 1 1 A 98 98 LEU C C 98 179.542 179.626 -0.084 1
1 1149 . 2 1 1 A 98 98 LEU CA C 98 57.578 58.176 -0.598 1
1 1150 . 2 1 1 A 98 98 LEU CB C 98 42.174 41.506 0.668 1
1 1154 . 2 1 1 A 98 98 LEU N N 98 119.610 118.726 0.884 1
1 1155 . 2 1 1 A 99 99 LYS H H 99 7.969 8.124 -0.155 1
1 1156 . 2 1 1 A 99 99 LYS HA H 99 4.203 3.935 0.268 1
1 1165 . 2 1 1 A 99 99 LYS C C 99 178.392 179.253 -0.861 1
1 1166 . 2 1 1 A 99 99 LYS CA C 99 58.563 59.354 -0.791 1
1 1167 . 2 1 1 A 99 99 LYS CB C 99 32.267 32.002 0.265 1
1 1171 . 2 1 1 A 99 99 LYS N N 99 119.323 118.332 0.991 1
1 1172 . 2 1 1 A 100 100 SER H H 100 7.854 7.847 0.007 1
1 1173 . 2 1 1 A 100 100 SER HA H 100 4.404 4.077 0.327 1
1 1176 . 2 1 1 A 100 100 SER C C 100 175.449 177.514 -2.065 1
1 1177 . 2 1 1 A 100 100 SER CA C 100 60.076 61.722 -1.646 1
1 1178 . 2 1 1 A 100 100 SER CB C 100 63.600 62.997 0.603 1
1 1179 . 2 1 1 A 100 100 SER N N 100 114.116 114.884 -0.768 1
1 1180 . 2 1 1 A 101 101 GLN H H 101 7.863 7.752 0.111 1
1 1181 . 2 1 1 A 101 101 GLN HA H 101 4.294 4.084 0.210 1
1 1188 . 2 1 1 A 101 101 GLN C C 101 176.613 178.284 -1.671 1
1 1189 . 2 1 1 A 101 101 GLN CA C 101 57.121 59.332 -2.211 1
1 1190 . 2 1 1 A 101 101 GLN CB C 101 29.761 28.125 1.636 1
1 1192 . 2 1 1 A 101 101 GLN N N 101 120.923 121.383 -0.460 1
1 1194 . 2 1 1 A 102 102 SER H H 102 8.170 7.703 0.467 1
1 1195 . 2 1 1 A 102 102 SER HA H 102 4.445 4.135 0.310 1
1 1198 . 2 1 1 A 102 102 SER C C 102 175.030 174.206 0.824 1
1 1199 . 2 1 1 A 102 102 SER CA C 102 59.162 61.651 -2.489 1
1 1200 . 2 1 1 A 102 102 SER CB C 102 63.466 63.101 0.365 1
1 1201 . 2 1 1 A 102 102 SER N N 102 115.689 115.833 -0.144 1
1 1202 . 2 1 1 A 103 103 LEU H H 103 8.111 7.688 0.423 1
1 1203 . 2 1 1 A 103 103 LEU HA H 103 4.400 3.772 0.628 1
1 1213 . 2 1 1 A 103 103 LEU C C 103 178.263 175.613 2.650 1
1 1214 . 2 1 1 A 103 103 LEU CA C 103 55.908 56.075 -0.167 1
1 1215 . 2 1 1 A 103 103 LEU CB C 103 42.215 40.359 1.856 1
1 1219 . 2 1 1 A 103 103 LEU N N 103 123.252 120.410 2.842 1
1 1220 . 2 1 1 A 104 104 THR H H 104 8.064 7.832 0.232 1
1 1221 . 2 1 1 A 104 104 THR HA H 104 4.354 4.103 0.251 1
1 1226 . 2 1 1 A 104 104 THR C C 104 175.092 175.184 -0.092 1
1 1227 . 2 1 1 A 104 104 THR CA C 104 62.368 63.391 -1.023 1
1 1228 . 2 1 1 A 104 104 THR CB C 104 69.673 68.788 0.885 1
1 1230 . 2 1 1 A 104 104 THR N N 104 113.441 113.542 -0.101 1
1 1231 . 2 1 1 A 105 105 SER H H 105 8.231 8.847 -0.616 1
1 1232 . 2 1 1 A 105 105 SER C C 105 177.959 173.097 4.862 1
1 1233 . 2 1 1 A 105 105 SER CA C 105 58.406 59.276 -0.870 1
1 1234 . 2 1 1 A 105 105 SER CB C 105 63.507 61.795 1.712 1
1 1235 . 2 1 1 A 105 105 SER N N 105 117.638 118.872 -1.234 1
1 1236 . 2 1 1 A 106 106 GLN HA H 106 4.365 4.983 -0.618 1
1 1239 . 2 1 1 A 106 106 GLN C C 106 176.322 173.959 2.363 1
1 1240 . 2 1 1 A 106 106 GLN CA C 106 56.189 54.493 1.696 1
1 1241 . 2 1 1 A 106 106 GLN CB C 106 29.226 32.850 -3.624 1
1 1243 . 2 1 1 A 107 107 SER H H 107 8.287 8.638 -0.351 1
1 1244 . 2 1 1 A 107 107 SER HA H 107 4.404 5.154 -0.750 1
1 1246 . 2 1 1 A 107 107 SER C C 107 174.687 172.759 1.928 1
1 1247 . 2 1 1 A 107 107 SER CA C 107 58.722 56.770 1.952 1
1 1248 . 2 1 1 A 107 107 SER CB C 107 63.713 65.092 -1.379 1
1 1249 . 2 1 1 A 107 107 SER N N 107 116.578 117.021 -0.443 1
1 1250 . 2 1 1 A 108 108 GLN H H 108 8.354 8.857 -0.503 1
1 1251 . 2 1 1 A 108 108 GLN HA H 108 4.349 5.037 -0.688 1
1 1258 . 2 1 1 A 108 108 GLN C C 108 175.798 174.263 1.535 1
1 1259 . 2 1 1 A 108 108 GLN CA C 108 55.820 54.101 1.719 1
1 1260 . 2 1 1 A 108 108 GLN CB C 108 29.432 32.107 -2.675 1
1 1262 . 2 1 1 A 108 108 GLN N N 108 122.015 124.965 -2.950 1
1 1264 . 2 1 1 A 109 109 ALA H H 109 8.301 8.864 -0.563 1
1 1265 . 2 1 1 A 109 109 ALA HA H 109 4.345 5.315 -0.970 1
1 1269 . 2 1 1 A 109 109 ALA C C 109 177.749 176.023 1.726 1
1 1270 . 2 1 1 A 109 109 ALA CA C 109 52.672 50.614 2.058 1
1 1271 . 2 1 1 A 109 109 ALA CB C 109 19.237 21.159 -1.922 1
1 1272 . 2 1 1 A 109 109 ALA N N 109 125.243 123.309 1.934 1
1 1273 . 2 1 1 A 110 110 SER H H 110 8.290 8.912 -0.622 1
1 1274 . 2 1 1 A 110 110 SER HA H 110 4.459 4.997 -0.538 1
1 1277 . 2 1 1 A 110 110 SER C C 110 174.593 173.001 1.592 1
1 1278 . 2 1 1 A 110 110 SER CA C 110 58.248 57.340 0.908 1
1 1279 . 2 1 1 A 110 110 SER CB C 110 63.918 66.327 -2.409 1
1 1280 . 2 1 1 A 110 110 SER N N 110 115.148 117.242 -2.094 1
1 1281 . 2 1 1 A 111 111 GLY H H 111 8.199 8.692 -0.493 1
1 1282 . 2 1 1 A 111 111 GLY HA2 H 111 4.167 4.544 -0.377 1
1 1283 . 2 1 1 A 111 111 GLY HA3 H 111 4.094 4.546 -0.452 1
1 1284 . 2 1 1 A 111 111 GLY C C 111 171.782 173.970 -2.188 1
1 1285 . 2 1 1 A 111 111 GLY CA C 111 44.652 45.739 -1.087 1
1 1286 . 2 1 1 A 111 111 GLY N N 111 110.586 108.891 1.695 1
1 1287 . 2 1 1 A 112 112 PRO HA H 112 4.471 4.561 -0.090 1
1 1294 . 2 1 1 A 112 112 PRO CA C 112 63.154 63.715 -0.561 1
1 1295 . 2 1 1 A 112 112 PRO CB C 112 32.314 31.896 0.418 1
1 1 . 3 1 1 A 7 7 GLY H H 7 9.055 8.589 0.466 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.908 4.071 -0.163 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 3.968 4.085 -0.117 1
1 4 . 3 1 1 A 7 7 GLY C C 7 173.671 174.249 -0.578 1
1 5 . 3 1 1 A 7 7 GLY CA C 7 45.421 44.746 0.675 1
1 6 . 3 1 1 A 8 8 LYS H H 8 8.145 8.550 -0.405 1
1 7 . 3 1 1 A 8 8 LYS HA H 8 4.345 4.568 -0.223 1
1 16 . 3 1 1 A 8 8 LYS C C 8 175.255 176.161 -0.906 1
1 17 . 3 1 1 A 8 8 LYS CA C 8 56.330 56.253 0.077 1
1 18 . 3 1 1 A 8 8 LYS CB C 8 33.583 33.265 0.318 1
1 22 . 3 1 1 A 8 8 LYS N N 8 120.101 122.552 -2.451 1
1 23 . 3 1 1 A 9 9 VAL H H 9 7.579 7.504 0.075 1
1 24 . 3 1 1 A 9 9 VAL HA H 9 4.473 5.016 -0.543 1
1 32 . 3 1 1 A 9 9 VAL C C 9 174.860 174.448 0.412 1
1 33 . 3 1 1 A 9 9 VAL CA C 9 59.989 58.391 1.598 1
1 34 . 3 1 1 A 9 9 VAL CB C 9 34.218 36.454 -2.236 1
1 37 . 3 1 1 A 9 9 VAL N N 9 114.437 118.098 -3.661 1
1 38 . 3 1 1 A 10 10 LYS H H 10 8.236 8.263 -0.027 1
1 39 . 3 1 1 A 10 10 LYS HA H 10 4.345 4.564 -0.219 1
1 48 . 3 1 1 A 10 10 LYS C C 10 172.963 174.110 -1.147 1
1 49 . 3 1 1 A 10 10 LYS CA C 10 56.096 55.721 0.375 1
1 50 . 3 1 1 A 10 10 LYS CB C 10 36.131 35.976 0.155 1
1 54 . 3 1 1 A 10 10 LYS N N 10 122.938 121.777 1.161 1
1 55 . 3 1 1 A 11 11 SER H H 11 8.168 8.637 -0.469 1
1 56 . 3 1 1 A 11 11 SER HA H 11 5.669 5.532 0.137 1
1 59 . 3 1 1 A 11 11 SER C C 11 173.281 172.800 0.481 1
1 60 . 3 1 1 A 11 11 SER CA C 11 55.960 56.271 -0.311 1
1 61 . 3 1 1 A 11 11 SER CB C 11 66.326 66.208 0.118 1
1 62 . 3 1 1 A 11 11 SER N N 11 119.068 118.846 0.222 1
1 63 . 3 1 1 A 12 12 GLY H H 12 8.248 7.850 0.398 1
1 64 . 3 1 1 A 12 12 GLY HA2 H 12 4.168 3.934 0.234 1
1 65 . 3 1 1 A 12 12 GLY HA3 H 12 3.478 4.153 -0.675 1
1 66 . 3 1 1 A 12 12 GLY C C 12 170.778 172.068 -1.290 1
1 67 . 3 1 1 A 12 12 GLY CA C 12 45.654 45.452 0.202 1
1 68 . 3 1 1 A 12 12 GLY N N 12 108.756 110.121 -1.365 1
1 69 . 3 1 1 A 13 13 TRP H H 13 8.622 8.678 -0.056 1
1 70 . 3 1 1 A 13 13 TRP HA H 13 5.398 5.054 0.344 1
1 79 . 3 1 1 A 13 13 TRP C C 13 177.511 176.072 1.439 1
1 80 . 3 1 1 A 13 13 TRP CA C 13 57.069 58.290 -1.221 1
1 81 . 3 1 1 A 13 13 TRP CB C 13 30.295 29.520 0.775 1
1 87 . 3 1 1 A 13 13 TRP N N 13 119.518 121.674 -2.156 1
1 89 . 3 1 1 A 14 14 LEU H H 14 9.524 9.163 0.361 1
1 90 . 3 1 1 A 14 14 LEU HA H 14 4.791 5.104 -0.313 1
1 100 . 3 1 1 A 14 14 LEU C C 14 175.381 176.095 -0.714 1
1 101 . 3 1 1 A 14 14 LEU CA C 14 54.096 53.421 0.675 1
1 102 . 3 1 1 A 14 14 LEU CB C 14 47.682 44.194 3.488 1
1 106 . 3 1 1 A 14 14 LEU N N 14 124.165 126.048 -1.883 1
1 107 . 3 1 1 A 15 15 ASP H H 15 8.335 8.375 -0.040 1
1 108 . 3 1 1 A 15 15 ASP HA H 15 5.424 5.103 0.321 1
1 111 . 3 1 1 A 15 15 ASP C C 15 175.302 174.930 0.372 1
1 112 . 3 1 1 A 15 15 ASP CA C 15 53.252 53.670 -0.418 1
1 113 . 3 1 1 A 15 15 ASP CB C 15 42.420 40.908 1.512 1
1 114 . 3 1 1 A 15 15 ASP N N 15 120.275 124.095 -3.820 1
1 115 . 3 1 1 A 16 16 LYS H H 16 9.444 8.441 1.003 1
1 116 . 3 1 1 A 16 16 LYS HA H 16 4.781 4.720 0.061 1
1 125 . 3 1 1 A 16 16 LYS C C 16 176.244 175.041 1.203 1
1 126 . 3 1 1 A 16 16 LYS CA C 16 54.782 55.027 -0.245 1
1 127 . 3 1 1 A 16 16 LYS CB C 16 36.666 34.093 2.573 1
1 131 . 3 1 1 A 16 16 LYS N N 16 125.854 126.276 -0.422 1
1 132 . 3 1 1 A 17 17 LEU H H 17 8.387 8.517 -0.130 1
1 133 . 3 1 1 A 17 17 LEU HA H 17 3.476 4.505 -1.029 1
1 143 . 3 1 1 A 17 17 LEU C C 17 175.840 176.154 -0.314 1
1 144 . 3 1 1 A 17 17 LEU CA C 17 55.715 53.170 2.545 1
1 145 . 3 1 1 A 17 17 LEU CB C 17 41.986 41.802 0.184 1
1 149 . 3 1 1 A 17 17 LEU N N 17 130.736 127.242 3.494 1
1 150 . 3 1 1 A 18 18 SER H H 18 8.378 8.488 -0.110 1
1 151 . 3 1 1 A 18 18 SER HA H 18 4.563 4.279 0.284 1
1 154 . 3 1 1 A 18 18 SER C C 18 172.291 174.820 -2.529 1
1 155 . 3 1 1 A 18 18 SER CA C 18 55.697 63.339 -7.642 1
1 156 . 3 1 1 A 18 18 SER CB C 18 62.885 62.657 0.228 1
1 157 . 3 1 1 A 18 18 SER N N 18 123.037 120.655 2.382 1
1 158 . 3 1 1 A 19 19 PRO HA H 19 4.414 4.665 -0.251 1
1 165 . 3 1 1 A 19 19 PRO CA C 19 63.946 62.292 1.654 1
1 166 . 3 1 1 A 19 19 PRO CB C 19 32.128 32.780 -0.652 1
1 169 . 3 1 1 A 20 20 GLN H H 20 8.085 8.427 -0.342 1
1 170 . 3 1 1 A 20 20 GLN HA H 20 4.353 4.952 -0.599 1
1 175 . 3 1 1 A 20 20 GLN CA C 20 55.533 54.434 1.099 1
1 176 . 3 1 1 A 20 20 GLN CB C 20 30.130 31.884 -1.754 1
1 178 . 3 1 1 A 20 20 GLN N N 20 119.721 120.511 -0.790 1
1 179 . 3 1 1 A 22 22 LYS H H 22 8.151 8.166 -0.015 1
1 180 . 3 1 1 A 22 22 LYS HA H 22 4.165 4.153 0.012 1
1 185 . 3 1 1 A 22 22 LYS C C 22 176.016 176.193 -0.177 1
1 186 . 3 1 1 A 22 22 LYS CA C 22 56.717 56.291 0.426 1
1 187 . 3 1 1 A 22 22 LYS CB C 22 32.303 32.438 -0.135 1
1 191 . 3 1 1 A 23 23 ARG H H 23 8.329 8.880 -0.551 1
1 192 . 3 1 1 A 23 23 ARG HA H 23 3.937 3.667 0.270 1
1 199 . 3 1 1 A 23 23 ARG C C 23 174.937 174.373 0.564 1
1 200 . 3 1 1 A 23 23 ARG CA C 23 56.436 56.944 -0.508 1
1 201 . 3 1 1 A 23 23 ARG CB C 23 29.144 28.039 1.105 1
1 204 . 3 1 1 A 23 23 ARG N N 23 119.006 118.378 0.628 1
1 205 . 3 1 1 A 24 24 MET H H 24 7.965 7.704 0.261 1
1 206 . 3 1 1 A 24 24 MET HA H 24 4.492 5.098 -0.606 1
1 209 . 3 1 1 A 24 24 MET C C 24 174.737 174.400 0.337 1
1 210 . 3 1 1 A 24 24 MET CA C 24 55.134 53.441 1.693 1
1 211 . 3 1 1 A 24 24 MET CB C 24 33.665 34.854 -1.189 1
1 213 . 3 1 1 A 24 24 MET N N 24 120.460 117.390 3.070 1
1 214 . 3 1 1 A 25 25 PHE H H 25 8.593 9.303 -0.710 1
1 215 . 3 1 1 A 25 25 PHE HA H 25 4.788 5.237 -0.449 1
1 223 . 3 1 1 A 25 25 PHE C C 25 175.712 174.972 0.740 1
1 224 . 3 1 1 A 25 25 PHE CA C 25 57.421 56.467 0.954 1
1 225 . 3 1 1 A 25 25 PHE CB C 25 41.890 43.062 -1.172 1
1 231 . 3 1 1 A 25 25 PHE N N 25 121.330 126.510 -5.180 1
1 232 . 3 1 1 A 26 26 GLN H H 26 8.758 8.591 0.167 1
1 233 . 3 1 1 A 26 26 GLN HA H 26 4.777 4.987 -0.210 1
1 240 . 3 1 1 A 26 26 GLN C C 26 175.149 174.785 0.364 1
1 241 . 3 1 1 A 26 26 GLN CA C 26 53.991 54.245 -0.254 1
1 242 . 3 1 1 A 26 26 GLN CB C 26 32.144 32.299 -0.155 1
1 244 . 3 1 1 A 26 26 GLN N N 26 119.081 119.198 -0.117 1
1 246 . 3 1 1 A 27 27 LYS H H 27 8.913 8.662 0.251 1
1 247 . 3 1 1 A 27 27 LYS HA H 27 4.933 4.779 0.154 1
1 256 . 3 1 1 A 27 27 LYS C C 27 177.786 175.572 2.214 1
1 257 . 3 1 1 A 27 27 LYS CA C 27 57.843 56.725 1.118 1
1 258 . 3 1 1 A 27 27 LYS CB C 27 32.720 32.946 -0.226 1
1 262 . 3 1 1 A 27 27 LYS N N 27 126.903 124.369 2.534 1
1 263 . 3 1 1 A 28 28 ARG H H 28 9.847 8.998 0.849 1
1 264 . 3 1 1 A 28 28 ARG HA H 28 5.236 5.445 -0.209 1
1 271 . 3 1 1 A 28 28 ARG C C 28 173.319 174.657 -1.338 1
1 272 . 3 1 1 A 28 28 ARG CA C 28 53.481 54.570 -1.089 1
1 273 . 3 1 1 A 28 28 ARG CB C 28 34.405 33.856 0.549 1
1 276 . 3 1 1 A 28 28 ARG N N 28 127.032 125.900 1.132 1
1 277 . 3 1 1 A 29 29 TRP H H 29 8.408 8.636 -0.228 1
1 278 . 3 1 1 A 29 29 TRP HA H 29 4.424 4.505 -0.081 1
1 285 . 3 1 1 A 29 29 TRP C C 29 174.606 174.744 -0.138 1
1 286 . 3 1 1 A 29 29 TRP CA C 29 56.383 55.851 0.532 1
1 287 . 3 1 1 A 29 29 TRP CB C 29 29.226 29.748 -0.522 1
1 292 . 3 1 1 A 29 29 TRP N N 29 124.511 125.166 -0.655 1
1 293 . 3 1 1 A 30 30 VAL H H 30 8.464 8.231 0.233 1
1 294 . 3 1 1 A 30 30 VAL HA H 30 4.736 4.773 -0.037 1
1 302 . 3 1 1 A 30 30 VAL C C 30 172.903 174.372 -1.469 1
1 303 . 3 1 1 A 30 30 VAL CA C 30 61.219 60.606 0.613 1
1 304 . 3 1 1 A 30 30 VAL CB C 30 32.925 33.804 -0.879 1
1 307 . 3 1 1 A 30 30 VAL N N 30 129.572 127.497 2.075 1
1 308 . 3 1 1 A 31 31 LYS H H 31 9.125 8.384 0.741 1
1 309 . 3 1 1 A 31 31 LYS HA H 31 5.095 4.898 0.197 1
1 318 . 3 1 1 A 31 31 LYS C C 31 175.396 173.892 1.504 1
1 319 . 3 1 1 A 31 31 LYS CA C 31 54.677 54.550 0.127 1
1 320 . 3 1 1 A 31 31 LYS CB C 31 37.036 36.060 0.976 1
1 324 . 3 1 1 A 31 31 LYS N N 31 124.358 126.945 -2.587 1
1 325 . 3 1 1 A 32 32 PHE H H 32 9.725 9.649 0.076 1
1 326 . 3 1 1 A 32 32 PHE HA H 32 5.905 4.998 0.907 1
1 334 . 3 1 1 A 32 32 PHE C C 32 174.555 174.269 0.286 1
1 335 . 3 1 1 A 32 32 PHE CA C 32 56.224 56.622 -0.398 1
1 336 . 3 1 1 A 32 32 PHE CB C 32 41.804 41.307 0.497 1
1 342 . 3 1 1 A 32 32 PHE N N 32 125.979 128.219 -2.240 1
1 343 . 3 1 1 A 33 33 ASP H H 33 7.884 8.733 -0.849 1
1 344 . 3 1 1 A 33 33 ASP HA H 33 4.555 4.801 -0.246 1
1 347 . 3 1 1 A 33 33 ASP C C 33 175.730 175.536 0.194 1
1 348 . 3 1 1 A 33 33 ASP CA C 33 52.602 54.079 -1.477 1
1 349 . 3 1 1 A 33 33 ASP CB C 33 41.686 42.521 -0.835 1
1 350 . 3 1 1 A 33 33 ASP N N 33 126.924 126.371 0.553 1
1 351 . 3 1 1 A 34 34 GLY H H 34 4.680 6.813 -2.133 1
1 352 . 3 1 1 A 34 34 GLY HA2 H 34 4.252 3.299 0.953 1
1 353 . 3 1 1 A 34 34 GLY HA3 H 34 3.023 3.700 -0.677 1
1 354 . 3 1 1 A 34 34 GLY C C 34 172.363 174.998 -2.635 1
1 355 . 3 1 1 A 34 34 GLY CA C 34 45.672 44.811 0.861 1
1 356 . 3 1 1 A 35 35 LEU H H 35 8.148 7.817 0.331 1
1 357 . 3 1 1 A 35 35 LEU HA H 35 4.623 4.405 0.218 1
1 367 . 3 1 1 A 35 35 LEU C C 35 177.783 176.706 1.077 1
1 368 . 3 1 1 A 35 35 LEU CA C 35 55.978 55.853 0.125 1
1 369 . 3 1 1 A 35 35 LEU CB C 35 44.352 43.985 0.367 1
1 373 . 3 1 1 A 35 35 LEU N N 35 120.632 118.939 1.693 1
1 374 . 3 1 1 A 36 36 SER H H 36 9.064 7.921 1.143 1
1 375 . 3 1 1 A 36 36 SER HA H 36 5.059 5.111 -0.052 1
1 378 . 3 1 1 A 36 36 SER C C 36 173.878 172.494 1.384 1
1 379 . 3 1 1 A 36 36 SER CA C 36 57.667 57.512 0.155 1
1 380 . 3 1 1 A 36 36 SER CB C 36 66.140 66.303 -0.163 1
1 381 . 3 1 1 A 36 36 SER N N 36 115.030 109.687 5.343 1
1 382 . 3 1 1 A 37 37 ILE H H 37 8.981 9.114 -0.133 1
1 383 . 3 1 1 A 37 37 ILE HA H 37 5.055 4.972 0.083 1
1 393 . 3 1 1 A 37 37 ILE C C 37 174.995 174.814 0.181 1
1 394 . 3 1 1 A 37 37 ILE CA C 37 61.061 60.644 0.417 1
1 395 . 3 1 1 A 37 37 ILE CB C 37 39.355 38.980 0.375 1
1 399 . 3 1 1 A 37 37 ILE N N 37 122.186 123.039 -0.853 1
1 400 . 3 1 1 A 38 38 SER H H 38 9.422 8.830 0.592 1
1 401 . 3 1 1 A 38 38 SER HA H 38 5.297 4.930 0.367 1
1 404 . 3 1 1 A 38 38 SER C C 38 172.177 173.176 -0.999 1
1 405 . 3 1 1 A 38 38 SER CA C 38 56.910 57.932 -1.022 1
1 406 . 3 1 1 A 38 38 SER CB C 38 66.018 63.721 2.297 1
1 407 . 3 1 1 A 38 38 SER N N 38 122.548 124.907 -2.359 1
1 408 . 3 1 1 A 39 39 TYR H H 39 7.649 8.390 -0.741 1
1 409 . 3 1 1 A 39 39 TYR HA H 39 6.025 5.938 0.087 1
1 416 . 3 1 1 A 39 39 TYR C C 39 173.937 173.737 0.200 1
1 417 . 3 1 1 A 39 39 TYR CA C 39 54.144 55.355 -1.211 1
1 418 . 3 1 1 A 39 39 TYR CB C 39 41.722 41.260 0.462 1
1 423 . 3 1 1 A 39 39 TYR N N 39 116.176 123.087 -6.911 1
1 424 . 3 1 1 A 40 40 TYR H H 40 9.647 9.355 0.292 1
1 425 . 3 1 1 A 40 40 TYR HA H 40 5.044 5.202 -0.158 1
1 432 . 3 1 1 A 40 40 TYR CA C 40 56.928 56.604 0.324 1
1 433 . 3 1 1 A 40 40 TYR CB C 40 43.678 43.014 0.664 1
1 438 . 3 1 1 A 40 40 TYR N N 40 118.964 121.626 -2.662 1
1 439 . 3 1 1 A 41 41 ASN H H 41 7.712 9.142 -1.430 1
1 440 . 3 1 1 A 41 41 ASN HA H 41 4.867 5.403 -0.536 1
1 445 . 3 1 1 A 41 41 ASN CB C 41 39.279 42.303 -3.024 1
1 446 . 3 1 1 A 41 41 ASN N N 41 109.731 117.434 -7.703 1
1 448 . 3 1 1 A 42 42 ASN H H 42 9.215 8.844 0.371 1
1 449 . 3 1 1 A 42 42 ASN HA H 42 4.868 4.794 0.074 1
1 452 . 3 1 1 A 42 42 ASN CA C 42 52.812 52.769 0.043 1
1 453 . 3 1 1 A 42 42 ASN CB C 42 39.180 38.254 0.926 1
1 458 . 3 1 1 A 44 44 LYS CB C 44 35.364 34.086 1.278 1
1 460 . 3 1 1 A 46 46 MET H H 46 8.285 7.882 0.403 1
1 461 . 3 1 1 A 46 46 MET HA H 46 4.218 5.048 -0.830 1
1 466 . 3 1 1 A 46 46 MET CA C 46 56.523 54.415 2.108 1
1 467 . 3 1 1 A 46 46 MET CB C 46 33.665 37.526 -3.861 1
1 469 . 3 1 1 A 47 47 TYR H H 47 7.965 8.928 -0.963 1
1 470 . 3 1 1 A 47 47 TYR HA H 47 4.935 5.688 -0.753 1
1 477 . 3 1 1 A 47 47 TYR CA C 47 55.861 55.604 0.257 1
1 478 . 3 1 1 A 47 47 TYR CB C 47 38.476 42.217 -3.741 1
1 483 . 3 1 1 A 47 47 TYR N N 47 117.521 117.731 -0.210 1
1 484 . 3 1 1 A 49 49 LYS H H 49 8.704 8.543 0.161 1
1 485 . 3 1 1 A 49 49 LYS HA H 49 4.369 4.338 0.031 1
1 494 . 3 1 1 A 49 49 LYS CA C 49 54.891 57.277 -2.386 1
1 495 . 3 1 1 A 49 49 LYS CB C 49 32.501 33.153 -0.652 1
1 499 . 3 1 1 A 50 50 GLY H H 50 6.985 8.313 -1.328 1
1 500 . 3 1 1 A 50 50 GLY HA2 H 50 3.825 3.647 0.178 1
1 501 . 3 1 1 A 50 50 GLY HA3 H 50 3.265 4.211 -0.946 1
1 502 . 3 1 1 A 50 50 GLY C C 50 170.241 171.867 -1.626 1
1 503 . 3 1 1 A 50 50 GLY CA C 50 45.039 44.513 0.526 1
1 504 . 3 1 1 A 50 50 GLY N N 50 108.097 108.927 -0.830 1
1 505 . 3 1 1 A 51 51 ILE H H 51 7.890 8.956 -1.066 1
1 506 . 3 1 1 A 51 51 ILE HA H 51 4.777 5.135 -0.358 1
1 516 . 3 1 1 A 51 51 ILE C C 51 175.026 173.273 1.753 1
1 517 . 3 1 1 A 51 51 ILE CA C 51 60.217 59.001 1.216 1
1 518 . 3 1 1 A 51 51 ILE CB C 51 42.388 42.184 0.204 1
1 522 . 3 1 1 A 51 51 ILE N N 51 117.769 123.926 -6.157 1
1 523 . 3 1 1 A 52 52 ILE H H 52 9.485 8.988 0.497 1
1 524 . 3 1 1 A 52 52 ILE HA H 52 4.533 4.743 -0.210 1
1 534 . 3 1 1 A 52 52 ILE C C 52 173.526 174.672 -1.146 1
1 535 . 3 1 1 A 52 52 ILE CA C 52 57.983 57.692 0.291 1
1 536 . 3 1 1 A 52 52 ILE CB C 52 40.324 39.902 0.422 1
1 540 . 3 1 1 A 52 52 ILE N N 52 127.899 128.344 -0.445 1
1 541 . 3 1 1 A 53 53 PRO HA H 53 4.501 4.774 -0.273 1
1 548 . 3 1 1 A 53 53 PRO C C 53 177.663 178.061 -0.398 1
1 549 . 3 1 1 A 53 53 PRO CA C 53 62.838 63.044 -0.206 1
1 550 . 3 1 1 A 53 53 PRO CB C 53 31.939 31.809 0.130 1
1 553 . 3 1 1 A 54 54 LEU H H 54 8.647 8.720 -0.073 1
1 554 . 3 1 1 A 54 54 LEU HA H 54 3.985 4.204 -0.219 1
1 564 . 3 1 1 A 54 54 LEU C C 54 178.940 178.140 0.800 1
1 565 . 3 1 1 A 54 54 LEU CA C 54 58.371 57.896 0.475 1
1 566 . 3 1 1 A 54 54 LEU CB C 54 42.388 41.693 0.695 1
1 570 . 3 1 1 A 54 54 LEU N N 54 124.847 127.118 -2.271 1
1 571 . 3 1 1 A 55 55 SER H H 55 8.278 8.410 -0.132 1
1 572 . 3 1 1 A 55 55 SER HA H 55 4.169 4.229 -0.060 1
1 575 . 3 1 1 A 55 55 SER C C 55 174.956 176.649 -1.693 1
1 576 . 3 1 1 A 55 55 SER CA C 55 59.971 61.388 -1.417 1
1 577 . 3 1 1 A 55 55 SER CB C 55 62.721 62.390 0.331 1
1 578 . 3 1 1 A 55 55 SER N N 55 109.639 114.523 -4.884 1
1 579 . 3 1 1 A 56 56 ALA H H 56 7.796 8.164 -0.368 1
1 580 . 3 1 1 A 56 56 ALA HA H 56 4.545 4.325 0.220 1
1 584 . 3 1 1 A 56 56 ALA C C 56 177.505 178.754 -1.249 1
1 585 . 3 1 1 A 56 56 ALA CA C 56 52.022 55.435 -3.413 1
1 586 . 3 1 1 A 56 56 ALA CB C 56 20.240 18.424 1.816 1
1 587 . 3 1 1 A 56 56 ALA N N 56 123.057 122.261 0.796 1
1 588 . 3 1 1 A 57 57 ILE H H 57 7.664 7.306 0.358 1
1 589 . 3 1 1 A 57 57 ILE HA H 57 4.035 4.335 -0.300 1
1 599 . 3 1 1 A 57 57 ILE C C 57 175.285 176.418 -1.133 1
1 600 . 3 1 1 A 57 57 ILE CA C 57 62.697 62.738 -0.041 1
1 601 . 3 1 1 A 57 57 ILE CB C 57 38.474 37.411 1.063 1
1 605 . 3 1 1 A 57 57 ILE N N 57 119.512 118.302 1.210 1
1 606 . 3 1 1 A 58 58 SER H H 58 9.364 9.135 0.229 1
1 607 . 3 1 1 A 58 58 SER HA H 58 4.526 4.470 0.056 1
1 610 . 3 1 1 A 58 58 SER C C 58 175.125 173.947 1.178 1
1 611 . 3 1 1 A 58 58 SER CA C 58 59.215 60.478 -1.263 1
1 612 . 3 1 1 A 58 58 SER CB C 58 63.590 63.671 -0.081 1
1 613 . 3 1 1 A 58 58 SER N N 58 122.513 123.770 -1.257 1
1 614 . 3 1 1 A 59 59 THR H H 59 7.502 7.098 0.404 1
1 615 . 3 1 1 A 59 59 THR HA H 59 4.355 4.590 -0.235 1
1 620 . 3 1 1 A 59 59 THR C C 59 170.784 172.077 -1.293 1
1 621 . 3 1 1 A 59 59 THR CA C 59 61.132 60.872 0.260 1
1 622 . 3 1 1 A 59 59 THR CB C 59 68.686 70.539 -1.853 1
1 624 . 3 1 1 A 59 59 THR N N 59 112.470 112.752 -0.282 1
1 625 . 3 1 1 A 60 60 VAL H H 60 7.766 8.447 -0.681 1
1 626 . 3 1 1 A 60 60 VAL HA H 60 5.326 5.086 0.240 1
1 634 . 3 1 1 A 60 60 VAL C C 60 174.166 174.343 -0.177 1
1 635 . 3 1 1 A 60 60 VAL CA C 60 60.410 60.380 0.030 1
1 636 . 3 1 1 A 60 60 VAL CB C 60 34.979 35.104 -0.125 1
1 639 . 3 1 1 A 60 60 VAL N N 60 121.276 123.815 -2.539 1
1 640 . 3 1 1 A 61 61 ARG H H 61 8.941 8.817 0.124 1
1 641 . 3 1 1 A 61 61 ARG HA H 61 5.053 4.972 0.081 1
1 648 . 3 1 1 A 61 61 ARG C C 61 175.460 175.063 0.397 1
1 649 . 3 1 1 A 61 61 ARG CA C 61 54.166 54.440 -0.274 1
1 650 . 3 1 1 A 61 61 ARG CB C 61 34.000 33.821 0.179 1
1 653 . 3 1 1 A 61 61 ARG N N 61 121.101 124.009 -2.908 1
1 654 . 3 1 1 A 62 62 VAL H H 62 8.627 8.555 0.072 1
1 655 . 3 1 1 A 62 62 VAL HA H 62 4.195 4.501 -0.306 1
1 663 . 3 1 1 A 62 62 VAL C C 62 175.216 174.713 0.503 1
1 664 . 3 1 1 A 62 62 VAL CA C 62 62.926 61.848 1.078 1
1 665 . 3 1 1 A 62 62 VAL CB C 62 33.459 32.894 0.565 1
1 668 . 3 1 1 A 62 62 VAL N N 62 118.451 118.826 -0.375 1
1 669 . 3 1 1 A 63 63 GLN H H 63 7.628 8.330 -0.702 1
1 670 . 3 1 1 A 63 63 GLN HA H 63 4.575 4.977 -0.402 1
1 677 . 3 1 1 A 63 63 GLN C C 63 174.418 177.022 -2.604 1
1 678 . 3 1 1 A 63 63 GLN CA C 63 55.451 53.983 1.468 1
1 679 . 3 1 1 A 63 63 GLN CB C 63 32.062 31.774 0.288 1
1 681 . 3 1 1 A 63 63 GLN N N 63 123.160 123.781 -0.621 1
1 683 . 3 1 1 A 64 64 GLY H H 64 8.678 8.837 -0.159 1
1 684 . 3 1 1 A 64 64 GLY HA2 H 64 4.025 3.850 0.175 1
1 685 . 3 1 1 A 64 64 GLY HA3 H 64 3.895 3.852 0.043 1
1 686 . 3 1 1 A 64 64 GLY C C 64 174.592 175.297 -0.705 1
1 687 . 3 1 1 A 64 64 GLY CA C 64 45.531 47.483 -1.952 1
1 688 . 3 1 1 A 64 64 GLY N N 64 112.406 112.195 0.211 1
1 689 . 3 1 1 A 65 65 ASP HA H 65 4.625 4.658 -0.033 1
1 692 . 3 1 1 A 65 65 ASP C C 65 176.902 176.615 0.287 1
1 693 . 3 1 1 A 65 65 ASP CA C 65 55.486 54.505 0.981 1
1 694 . 3 1 1 A 65 65 ASP CB C 65 40.817 41.700 -0.883 1
1 695 . 3 1 1 A 66 66 ASN H H 66 7.979 8.797 -0.818 1
1 696 . 3 1 1 A 66 66 ASN HA H 66 4.554 4.826 -0.272 1
1 701 . 3 1 1 A 66 66 ASN C C 66 174.456 173.550 0.906 1
1 702 . 3 1 1 A 66 66 ASN CA C 66 52.795 52.970 -0.175 1
1 703 . 3 1 1 A 66 66 ASN CB C 66 37.981 36.406 1.575 1
1 704 . 3 1 1 A 66 66 ASN N N 66 112.071 119.048 -6.977 1
1 706 . 3 1 1 A 67 67 LYS H H 67 7.476 7.968 -0.492 1
1 707 . 3 1 1 A 67 67 LYS HA H 67 5.914 5.030 0.884 1
1 716 . 3 1 1 A 67 67 LYS C C 67 177.922 175.207 2.715 1
1 717 . 3 1 1 A 67 67 LYS CA C 67 54.906 54.690 0.216 1
1 718 . 3 1 1 A 67 67 LYS CB C 67 36.707 37.464 -0.757 1
1 722 . 3 1 1 A 67 67 LYS N N 67 115.613 118.295 -2.682 1
1 723 . 3 1 1 A 68 68 PHE H H 68 9.227 8.598 0.629 1
1 724 . 3 1 1 A 68 68 PHE HA H 68 5.296 5.558 -0.262 1
1 732 . 3 1 1 A 68 68 PHE C C 68 171.230 172.159 -0.929 1
1 733 . 3 1 1 A 68 68 PHE CA C 68 56.576 55.277 1.299 1
1 734 . 3 1 1 A 68 68 PHE CB C 68 42.790 42.743 0.047 1
1 740 . 3 1 1 A 68 68 PHE N N 68 117.009 117.583 -0.574 1
1 741 . 3 1 1 A 69 69 GLU H H 69 9.527 9.133 0.394 1
1 742 . 3 1 1 A 69 69 GLU HA H 69 5.434 4.906 0.528 1
1 747 . 3 1 1 A 69 69 GLU C C 69 175.659 175.021 0.638 1
1 748 . 3 1 1 A 69 69 GLU CA C 69 53.429 55.117 -1.688 1
1 749 . 3 1 1 A 69 69 GLU CB C 69 33.460 31.965 1.495 1
1 751 . 3 1 1 A 69 69 GLU N N 69 119.470 120.801 -1.331 1
1 752 . 3 1 1 A 70 70 VAL H H 70 9.486 8.942 0.544 1
1 753 . 3 1 1 A 70 70 VAL HA H 70 4.486 4.735 -0.249 1
1 761 . 3 1 1 A 70 70 VAL C C 70 174.403 175.292 -0.889 1
1 762 . 3 1 1 A 70 70 VAL CA C 70 62.240 61.342 0.898 1
1 763 . 3 1 1 A 70 70 VAL CB C 70 33.706 33.289 0.417 1
1 766 . 3 1 1 A 70 70 VAL N N 70 123.935 125.812 -1.877 1
1 767 . 3 1 1 A 71 71 VAL H H 71 8.658 8.721 -0.063 1
1 768 . 3 1 1 A 71 71 VAL HA H 71 4.345 4.364 -0.019 1
1 776 . 3 1 1 A 71 71 VAL C C 71 175.524 175.666 -0.142 1
1 777 . 3 1 1 A 71 71 VAL CA C 71 63.365 62.707 0.658 1
1 778 . 3 1 1 A 71 71 VAL CB C 71 32.802 31.962 0.840 1
1 781 . 3 1 1 A 71 71 VAL N N 71 129.195 128.339 0.856 1
1 782 . 3 1 1 A 72 72 THR H H 72 8.134 8.531 -0.397 1
1 783 . 3 1 1 A 72 72 THR HA H 72 5.515 5.222 0.293 1
1 788 . 3 1 1 A 72 72 THR C C 72 174.609 176.181 -1.572 1
1 789 . 3 1 1 A 72 72 THR CA C 72 59.496 59.787 -0.291 1
1 790 . 3 1 1 A 72 72 THR CB C 72 72.139 71.492 0.647 1
1 792 . 3 1 1 A 72 72 THR N N 72 117.639 116.348 1.291 1
1 793 . 3 1 1 A 73 73 THR H H 73 8.944 8.939 0.005 1
1 794 . 3 1 1 A 73 73 THR HA H 73 3.966 3.898 0.068 1
1 799 . 3 1 1 A 73 73 THR C C 73 175.783 175.742 0.041 1
1 800 . 3 1 1 A 73 73 THR CA C 73 65.880 66.715 -0.835 1
1 801 . 3 1 1 A 73 73 THR CB C 73 68.604 69.098 -0.494 1
1 803 . 3 1 1 A 73 73 THR N N 73 114.027 116.698 -2.671 1
1 804 . 3 1 1 A 74 74 GLN H H 74 7.997 7.922 0.075 1
1 805 . 3 1 1 A 74 74 GLN HA H 74 4.350 4.407 -0.057 1
1 812 . 3 1 1 A 74 74 GLN C C 74 175.698 175.573 0.125 1
1 813 . 3 1 1 A 74 74 GLN CA C 74 56.910 56.761 0.149 1
1 814 . 3 1 1 A 74 74 GLN CB C 74 30.624 31.262 -0.638 1
1 816 . 3 1 1 A 74 74 GLN N N 74 115.670 116.811 -1.141 1
1 818 . 3 1 1 A 75 75 ARG H H 75 7.366 7.502 -0.136 1
1 819 . 3 1 1 A 75 75 ARG HA H 75 4.395 4.347 0.048 1
1 826 . 3 1 1 A 75 75 ARG C C 75 174.546 174.866 -0.320 1
1 827 . 3 1 1 A 75 75 ARG CA C 75 55.802 55.136 0.666 1
1 828 . 3 1 1 A 75 75 ARG CB C 75 32.514 31.036 1.478 1
1 831 . 3 1 1 A 75 75 ARG N N 75 115.650 117.012 -1.362 1
1 832 . 3 1 1 A 76 76 THR H H 76 8.679 8.375 0.304 1
1 833 . 3 1 1 A 76 76 THR HA H 76 5.065 4.711 0.354 1
1 838 . 3 1 1 A 76 76 THR C C 76 173.239 173.106 0.133 1
1 839 . 3 1 1 A 76 76 THR CA C 76 61.888 60.746 1.142 1
1 840 . 3 1 1 A 76 76 THR CB C 76 69.878 72.149 -2.271 1
1 842 . 3 1 1 A 76 76 THR N N 76 120.285 112.649 7.636 1
1 843 . 3 1 1 A 77 77 PHE H H 77 9.156 9.073 0.083 1
1 844 . 3 1 1 A 77 77 PHE HA H 77 4.385 5.128 -0.743 1
1 852 . 3 1 1 A 77 77 PHE C C 77 174.028 174.746 -0.718 1
1 853 . 3 1 1 A 77 77 PHE CA C 77 56.822 55.836 0.986 1
1 854 . 3 1 1 A 77 77 PHE CB C 77 41.640 42.731 -1.091 1
1 860 . 3 1 1 A 77 77 PHE N N 77 127.212 124.338 2.874 1
1 861 . 3 1 1 A 78 78 VAL H H 78 8.374 8.307 0.067 1
1 862 . 3 1 1 A 78 78 VAL HA H 78 4.506 4.622 -0.116 1
1 870 . 3 1 1 A 78 78 VAL C C 78 173.264 174.490 -1.226 1
1 871 . 3 1 1 A 78 78 VAL CA C 78 61.730 60.891 0.839 1
1 872 . 3 1 1 A 78 78 VAL CB C 78 33.254 35.124 -1.870 1
1 875 . 3 1 1 A 78 78 VAL N N 78 123.393 119.303 4.090 1
1 876 . 3 1 1 A 79 79 PHE H H 79 8.458 8.412 0.046 1
1 877 . 3 1 1 A 79 79 PHE HA H 79 5.403 4.973 0.430 1
1 885 . 3 1 1 A 79 79 PHE C C 79 173.855 173.745 0.110 1
1 886 . 3 1 1 A 79 79 PHE CA C 79 55.151 55.480 -0.329 1
1 887 . 3 1 1 A 79 79 PHE CB C 79 42.913 42.967 -0.054 1
1 893 . 3 1 1 A 79 79 PHE N N 79 123.801 124.775 -0.974 1
1 894 . 3 1 1 A 80 80 ARG H H 80 9.407 8.423 0.984 1
1 895 . 3 1 1 A 80 80 ARG HA H 80 5.134 5.090 0.044 1
1 902 . 3 1 1 A 80 80 ARG C C 80 174.634 175.535 -0.901 1
1 903 . 3 1 1 A 80 80 ARG CA C 80 54.431 54.064 0.367 1
1 904 . 3 1 1 A 80 80 ARG CB C 80 35.227 33.378 1.849 1
1 907 . 3 1 1 A 80 80 ARG N N 80 121.570 122.500 -0.930 1
1 908 . 3 1 1 A 81 81 VAL H H 81 8.544 8.377 0.167 1
1 909 . 3 1 1 A 81 81 VAL HA H 81 4.708 4.874 -0.166 1
1 917 . 3 1 1 A 81 81 VAL C C 81 175.050 175.713 -0.663 1
1 918 . 3 1 1 A 81 81 VAL CA C 81 59.602 59.801 -0.199 1
1 919 . 3 1 1 A 81 81 VAL CB C 81 33.706 34.876 -1.170 1
1 922 . 3 1 1 A 81 81 VAL N N 81 122.128 121.837 0.291 1
1 923 . 3 1 1 A 82 82 GLU H H 82 8.549 8.833 -0.284 1
1 924 . 3 1 1 A 82 82 GLU HA H 82 4.132 4.432 -0.300 1
1 929 . 3 1 1 A 82 82 GLU C C 82 176.909 175.639 1.270 1
1 930 . 3 1 1 A 82 82 GLU CA C 82 58.973 57.267 1.706 1
1 931 . 3 1 1 A 82 82 GLU CB C 82 30.582 31.494 -0.912 1
1 933 . 3 1 1 A 82 82 GLU N N 82 121.776 121.935 -0.159 1
1 934 . 3 1 1 A 83 83 LYS H H 83 7.618 7.769 -0.151 1
1 935 . 3 1 1 A 83 83 LYS HA H 83 4.708 4.702 0.006 1
1 944 . 3 1 1 A 83 83 LYS C C 83 176.665 176.670 -0.005 1
1 945 . 3 1 1 A 83 83 LYS CA C 83 54.694 54.500 0.194 1
1 946 . 3 1 1 A 83 83 LYS CB C 83 34.775 35.136 -0.361 1
1 950 . 3 1 1 A 83 83 LYS N N 83 115.778 117.938 -2.160 1
1 951 . 3 1 1 A 84 84 GLU H H 84 9.150 8.962 0.188 1
1 952 . 3 1 1 A 84 84 GLU HA H 84 3.953 4.006 -0.053 1
1 957 . 3 1 1 A 84 84 GLU C C 84 178.243 178.097 0.146 1
1 958 . 3 1 1 A 84 84 GLU CA C 84 60.217 59.324 0.893 1
1 959 . 3 1 1 A 84 84 GLU CB C 84 29.843 29.830 0.013 1
1 961 . 3 1 1 A 84 84 GLU N N 84 127.798 123.025 4.773 1
1 962 . 3 1 1 A 85 85 GLU H H 85 9.626 8.065 1.561 1
1 963 . 3 1 1 A 85 85 GLU HA H 85 4.100 3.986 0.114 1
1 968 . 3 1 1 A 85 85 GLU C C 85 178.948 179.161 -0.213 1
1 969 . 3 1 1 A 85 85 GLU CA C 85 59.847 59.662 0.185 1
1 970 . 3 1 1 A 85 85 GLU CB C 85 28.897 29.129 -0.232 1
1 972 . 3 1 1 A 85 85 GLU N N 85 117.844 117.742 0.102 1
1 973 . 3 1 1 A 86 86 GLU H H 86 7.257 8.282 -1.025 1
1 974 . 3 1 1 A 86 86 GLU HA H 86 4.365 3.896 0.469 1
1 979 . 3 1 1 A 86 86 GLU C C 86 178.607 178.817 -0.210 1
1 980 . 3 1 1 A 86 86 GLU CA C 86 58.089 59.333 -1.244 1
1 981 . 3 1 1 A 86 86 GLU CB C 86 30.212 29.349 0.863 1
1 983 . 3 1 1 A 86 86 GLU N N 86 118.075 120.460 -2.385 1
1 984 . 3 1 1 A 87 87 ARG H H 87 7.919 8.020 -0.101 1
1 985 . 3 1 1 A 87 87 ARG HA H 87 3.838 3.912 -0.074 1
1 992 . 3 1 1 A 87 87 ARG C C 87 177.977 178.687 -0.710 1
1 993 . 3 1 1 A 87 87 ARG CA C 87 60.815 59.635 1.180 1
1 994 . 3 1 1 A 87 87 ARG CB C 87 28.856 30.281 -1.425 1
1 997 . 3 1 1 A 87 87 ARG N N 87 121.287 121.267 0.020 1
1 998 . 3 1 1 A 88 88 ASN H H 88 8.421 8.242 0.179 1
1 999 . 3 1 1 A 88 88 ASN HA H 88 4.295 4.492 -0.197 1
1 1004 . 3 1 1 A 88 88 ASN C C 88 177.423 177.670 -0.247 1
1 1005 . 3 1 1 A 88 88 ASN CA C 88 55.627 56.408 -0.781 1
1 1006 . 3 1 1 A 88 88 ASN CB C 88 37.136 38.300 -1.164 1
1 1007 . 3 1 1 A 88 88 ASN N N 88 116.926 117.245 -0.319 1
1 1009 . 3 1 1 A 89 89 ASP H H 89 7.790 8.059 -0.269 1
1 1010 . 3 1 1 A 89 89 ASP HA H 89 4.389 4.224 0.165 1
1 1013 . 3 1 1 A 89 89 ASP C C 89 177.683 178.552 -0.869 1
1 1014 . 3 1 1 A 89 89 ASP CA C 89 57.737 57.373 0.364 1
1 1015 . 3 1 1 A 89 89 ASP CB C 89 41.352 40.249 1.103 1
1 1016 . 3 1 1 A 89 89 ASP N N 89 121.867 118.568 3.299 1
1 1017 . 3 1 1 A 90 90 TRP H H 90 7.690 8.179 -0.489 1
1 1018 . 3 1 1 A 90 90 TRP HA H 90 3.666 4.168 -0.502 1
1 1027 . 3 1 1 A 90 90 TRP C C 90 177.880 178.504 -0.624 1
1 1028 . 3 1 1 A 90 90 TRP CA C 90 61.704 59.731 1.973 1
1 1029 . 3 1 1 A 90 90 TRP CB C 90 29.594 29.140 0.454 1
1 1035 . 3 1 1 A 90 90 TRP N N 90 117.617 119.324 -1.707 1
1 1037 . 3 1 1 A 91 91 ILE H H 91 7.654 7.822 -0.168 1
1 1038 . 3 1 1 A 91 91 ILE HA H 91 3.275 3.587 -0.312 1
1 1048 . 3 1 1 A 91 91 ILE C C 91 177.138 177.748 -0.610 1
1 1049 . 3 1 1 A 91 91 ILE CA C 91 65.001 65.043 -0.042 1
1 1050 . 3 1 1 A 91 91 ILE CB C 91 36.913 37.584 -0.671 1
1 1054 . 3 1 1 A 91 91 ILE N N 91 114.248 120.424 -6.176 1
1 1055 . 3 1 1 A 92 92 SER H H 92 8.055 8.557 -0.502 1
1 1056 . 3 1 1 A 92 92 SER HA H 92 4.045 4.078 -0.033 1
1 1059 . 3 1 1 A 92 92 SER C C 92 177.204 177.282 -0.078 1
1 1060 . 3 1 1 A 92 92 SER CA C 92 61.923 61.678 0.245 1
1 1061 . 3 1 1 A 92 92 SER CB C 92 62.767 62.937 -0.170 1
1 1062 . 3 1 1 A 92 92 SER N N 92 114.018 115.198 -1.180 1
1 1063 . 3 1 1 A 93 93 ILE H H 93 7.926 7.974 -0.048 1
1 1064 . 3 1 1 A 93 93 ILE HA H 93 3.795 3.739 0.056 1
1 1074 . 3 1 1 A 93 93 ILE C C 93 178.947 178.341 0.606 1
1 1075 . 3 1 1 A 93 93 ILE CA C 93 64.825 64.735 0.090 1
1 1076 . 3 1 1 A 93 93 ILE CB C 93 37.693 37.842 -0.149 1
1 1080 . 3 1 1 A 93 93 ILE N N 93 120.974 120.700 0.274 1
1 1081 . 3 1 1 A 94 94 LEU H H 94 7.678 8.105 -0.427 1
1 1082 . 3 1 1 A 94 94 LEU HA H 94 3.634 3.703 -0.069 1
1 1092 . 3 1 1 A 94 94 LEU C C 94 178.551 178.800 -0.249 1
1 1093 . 3 1 1 A 94 94 LEU CA C 94 57.861 57.920 -0.059 1
1 1094 . 3 1 1 A 94 94 LEU CB C 94 42.356 41.610 0.746 1
1 1098 . 3 1 1 A 94 94 LEU N N 94 121.223 120.008 1.215 1
1 1099 . 3 1 1 A 95 95 LEU H H 95 8.954 8.149 0.805 1
1 1100 . 3 1 1 A 95 95 LEU HA H 95 4.037 3.893 0.144 1
1 1110 . 3 1 1 A 95 95 LEU C C 95 180.858 179.163 1.695 1
1 1111 . 3 1 1 A 95 95 LEU CA C 95 58.194 58.041 0.153 1
1 1112 . 3 1 1 A 95 95 LEU CB C 95 41.286 41.557 -0.271 1
1 1116 . 3 1 1 A 95 95 LEU N N 95 118.177 117.699 0.478 1
1 1117 . 3 1 1 A 96 96 ASN H H 96 8.235 8.584 -0.349 1
1 1118 . 3 1 1 A 96 96 ASN HA H 96 4.445 4.429 0.016 1
1 1123 . 3 1 1 A 96 96 ASN C C 96 177.901 176.820 1.081 1
1 1124 . 3 1 1 A 96 96 ASN CA C 96 56.347 56.754 -0.407 1
1 1125 . 3 1 1 A 96 96 ASN CB C 96 38.105 39.848 -1.743 1
1 1126 . 3 1 1 A 96 96 ASN N N 96 117.502 116.967 0.535 1
1 1128 . 3 1 1 A 97 97 ALA H H 97 7.756 7.872 -0.116 1
1 1129 . 3 1 1 A 97 97 ALA HA H 97 4.305 4.175 0.130 1
1 1133 . 3 1 1 A 97 97 ALA C C 97 180.315 179.055 1.260 1
1 1134 . 3 1 1 A 97 97 ALA CA C 97 54.906 54.042 0.864 1
1 1135 . 3 1 1 A 97 97 ALA CB C 97 19.214 18.556 0.658 1
1 1136 . 3 1 1 A 97 97 ALA N N 97 123.457 120.969 2.488 1
1 1137 . 3 1 1 A 98 98 LEU H H 98 8.335 7.901 0.434 1
1 1138 . 3 1 1 A 98 98 LEU HA H 98 4.055 4.132 -0.077 1
1 1148 . 3 1 1 A 98 98 LEU C C 98 179.542 179.288 0.254 1
1 1149 . 3 1 1 A 98 98 LEU CA C 98 57.578 57.105 0.473 1
1 1150 . 3 1 1 A 98 98 LEU CB C 98 42.174 41.808 0.366 1
1 1154 . 3 1 1 A 98 98 LEU N N 98 119.610 118.235 1.375 1
1 1155 . 3 1 1 A 99 99 LYS H H 99 7.969 8.325 -0.356 1
1 1156 . 3 1 1 A 99 99 LYS HA H 99 4.203 4.093 0.110 1
1 1165 . 3 1 1 A 99 99 LYS C C 99 178.392 178.647 -0.255 1
1 1166 . 3 1 1 A 99 99 LYS CA C 99 58.563 58.973 -0.410 1
1 1167 . 3 1 1 A 99 99 LYS CB C 99 32.267 31.661 0.606 1
1 1171 . 3 1 1 A 99 99 LYS N N 99 119.323 119.065 0.258 1
1 1172 . 3 1 1 A 100 100 SER H H 100 7.854 7.891 -0.037 1
1 1173 . 3 1 1 A 100 100 SER HA H 100 4.404 4.157 0.247 1
1 1176 . 3 1 1 A 100 100 SER C C 100 175.449 177.418 -1.969 1
1 1177 . 3 1 1 A 100 100 SER CA C 100 60.076 61.527 -1.451 1
1 1178 . 3 1 1 A 100 100 SER CB C 100 63.600 62.813 0.787 1
1 1179 . 3 1 1 A 100 100 SER N N 100 114.116 115.210 -1.094 1
1 1180 . 3 1 1 A 101 101 GLN H H 101 7.863 8.072 -0.209 1
1 1181 . 3 1 1 A 101 101 GLN HA H 101 4.294 4.095 0.199 1
1 1188 . 3 1 1 A 101 101 GLN C C 101 176.613 176.433 0.180 1
1 1189 . 3 1 1 A 101 101 GLN CA C 101 57.121 59.261 -2.140 1
1 1190 . 3 1 1 A 101 101 GLN CB C 101 29.761 28.316 1.445 1
1 1192 . 3 1 1 A 101 101 GLN N N 101 120.923 120.752 0.171 1
1 1194 . 3 1 1 A 102 102 SER H H 102 8.170 7.839 0.331 1
1 1195 . 3 1 1 A 102 102 SER HA H 102 4.445 4.846 -0.401 1
1 1198 . 3 1 1 A 102 102 SER C C 102 175.030 173.314 1.716 1
1 1199 . 3 1 1 A 102 102 SER CA C 102 59.162 56.819 2.343 1
1 1200 . 3 1 1 A 102 102 SER CB C 102 63.466 64.401 -0.935 1
1 1201 . 3 1 1 A 102 102 SER N N 102 115.689 114.654 1.035 1
1 1202 . 3 1 1 A 103 103 LEU H H 103 8.111 9.001 -0.890 1
1 1203 . 3 1 1 A 103 103 LEU HA H 103 4.400 4.995 -0.595 1
1 1213 . 3 1 1 A 103 103 LEU C C 103 178.263 176.128 2.135 1
1 1214 . 3 1 1 A 103 103 LEU CA C 103 55.908 53.171 2.737 1
1 1215 . 3 1 1 A 103 103 LEU CB C 103 42.215 45.167 -2.952 1
1 1219 . 3 1 1 A 103 103 LEU N N 103 123.252 128.527 -5.275 1
1 1220 . 3 1 1 A 104 104 THR H H 104 8.064 8.332 -0.268 1
1 1221 . 3 1 1 A 104 104 THR HA H 104 4.354 5.060 -0.706 1
1 1226 . 3 1 1 A 104 104 THR C C 104 175.092 174.835 0.257 1
1 1227 . 3 1 1 A 104 104 THR CA C 104 62.368 59.780 2.588 1
1 1228 . 3 1 1 A 104 104 THR CB C 104 69.673 71.703 -2.030 1
1 1230 . 3 1 1 A 104 104 THR N N 104 113.441 111.076 2.365 1
1 1231 . 3 1 1 A 105 105 SER H H 105 8.231 8.786 -0.555 1
1 1232 . 3 1 1 A 105 105 SER C C 105 177.959 174.411 3.548 1
1 1233 . 3 1 1 A 105 105 SER CA C 105 58.406 61.352 -2.946 1
1 1234 . 3 1 1 A 105 105 SER CB C 105 63.507 63.087 0.420 1
1 1235 . 3 1 1 A 105 105 SER N N 105 117.638 116.519 1.119 1
1 1236 . 3 1 1 A 106 106 GLN HA H 106 4.365 4.267 0.098 1
1 1239 . 3 1 1 A 106 106 GLN C C 106 176.322 175.930 0.392 1
1 1240 . 3 1 1 A 106 106 GLN CA C 106 56.189 56.471 -0.282 1
1 1241 . 3 1 1 A 106 106 GLN CB C 106 29.226 28.410 0.816 1
1 1243 . 3 1 1 A 107 107 SER H H 107 8.287 8.839 -0.552 1
1 1244 . 3 1 1 A 107 107 SER HA H 107 4.404 4.001 0.403 1
1 1246 . 3 1 1 A 107 107 SER C C 107 174.687 173.405 1.282 1
1 1247 . 3 1 1 A 107 107 SER CA C 107 58.722 58.984 -0.262 1
1 1248 . 3 1 1 A 107 107 SER CB C 107 63.713 61.510 2.203 1
1 1249 . 3 1 1 A 107 107 SER N N 107 116.578 113.963 2.615 1
1 1250 . 3 1 1 A 108 108 GLN H H 108 8.354 7.381 0.973 1
1 1251 . 3 1 1 A 108 108 GLN HA H 108 4.349 3.999 0.350 1
1 1258 . 3 1 1 A 108 108 GLN C C 108 175.798 176.328 -0.530 1
1 1259 . 3 1 1 A 108 108 GLN CA C 108 55.820 57.209 -1.389 1
1 1260 . 3 1 1 A 108 108 GLN CB C 108 29.432 28.597 0.835 1
1 1262 . 3 1 1 A 108 108 GLN N N 108 122.015 119.676 2.339 1
1 1264 . 3 1 1 A 109 109 ALA H H 109 8.301 8.725 -0.424 1
1 1265 . 3 1 1 A 109 109 ALA HA H 109 4.345 3.848 0.497 1
1 1269 . 3 1 1 A 109 109 ALA C C 109 177.749 175.794 1.955 1
1 1270 . 3 1 1 A 109 109 ALA CA C 109 52.672 52.977 -0.305 1
1 1271 . 3 1 1 A 109 109 ALA CB C 109 19.237 17.411 1.826 1
1 1272 . 3 1 1 A 109 109 ALA N N 109 125.243 124.383 0.860 1
1 1273 . 3 1 1 A 110 110 SER H H 110 8.290 7.333 0.957 1
1 1274 . 3 1 1 A 110 110 SER HA H 110 4.459 4.924 -0.465 1
1 1277 . 3 1 1 A 110 110 SER C C 110 174.593 174.050 0.543 1
1 1278 . 3 1 1 A 110 110 SER CA C 110 58.248 56.825 1.423 1
1 1279 . 3 1 1 A 110 110 SER CB C 110 63.918 64.814 -0.896 1
1 1280 . 3 1 1 A 110 110 SER N N 110 115.148 111.341 3.807 1
1 1281 . 3 1 1 A 111 111 GLY H H 111 8.199 9.160 -0.961 1
1 1282 . 3 1 1 A 111 111 GLY HA2 H 111 4.167 4.156 0.011 1
1 1283 . 3 1 1 A 111 111 GLY HA3 H 111 4.094 4.157 -0.063 1
1 1284 . 3 1 1 A 111 111 GLY C C 111 171.782 173.153 -1.371 1
1 1285 . 3 1 1 A 111 111 GLY CA C 111 44.652 44.355 0.297 1
1 1286 . 3 1 1 A 111 111 GLY N N 111 110.586 114.331 -3.745 1
1 1287 . 3 1 1 A 112 112 PRO HA H 112 4.471 4.524 -0.053 1
1 1294 . 3 1 1 A 112 112 PRO CA C 112 63.154 62.936 0.218 1
1 1295 . 3 1 1 A 112 112 PRO CB C 112 32.314 32.300 0.014 1
1 1 . 4 1 1 A 7 7 GLY H H 7 9.055 8.460 0.595 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.908 4.162 -0.254 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 3.968 4.172 -0.204 1
1 4 . 4 1 1 A 7 7 GLY C C 7 173.671 173.744 -0.073 1
1 5 . 4 1 1 A 7 7 GLY CA C 7 45.421 45.451 -0.030 1
1 6 . 4 1 1 A 8 8 LYS H H 8 8.145 9.091 -0.946 1
1 7 . 4 1 1 A 8 8 LYS HA H 8 4.345 4.526 -0.181 1
1 16 . 4 1 1 A 8 8 LYS C C 8 175.255 175.974 -0.719 1
1 17 . 4 1 1 A 8 8 LYS CA C 8 56.330 55.837 0.493 1
1 18 . 4 1 1 A 8 8 LYS CB C 8 33.583 33.017 0.566 1
1 22 . 4 1 1 A 8 8 LYS N N 8 120.101 124.537 -4.436 1
1 23 . 4 1 1 A 9 9 VAL H H 9 7.579 7.494 0.085 1
1 24 . 4 1 1 A 9 9 VAL HA H 9 4.473 4.905 -0.432 1
1 32 . 4 1 1 A 9 9 VAL C C 9 174.860 174.278 0.582 1
1 33 . 4 1 1 A 9 9 VAL CA C 9 59.989 58.592 1.397 1
1 34 . 4 1 1 A 9 9 VAL CB C 9 34.218 36.550 -2.332 1
1 37 . 4 1 1 A 9 9 VAL N N 9 114.437 117.679 -3.242 1
1 38 . 4 1 1 A 10 10 LYS H H 10 8.236 8.707 -0.471 1
1 39 . 4 1 1 A 10 10 LYS HA H 10 4.345 4.579 -0.234 1
1 48 . 4 1 1 A 10 10 LYS C C 10 172.963 174.310 -1.347 1
1 49 . 4 1 1 A 10 10 LYS CA C 10 56.096 55.587 0.509 1
1 50 . 4 1 1 A 10 10 LYS CB C 10 36.131 36.136 -0.005 1
1 54 . 4 1 1 A 10 10 LYS N N 10 122.938 121.908 1.030 1
1 55 . 4 1 1 A 11 11 SER H H 11 8.168 8.391 -0.223 1
1 56 . 4 1 1 A 11 11 SER HA H 11 5.669 5.290 0.379 1
1 59 . 4 1 1 A 11 11 SER C C 11 173.281 172.941 0.340 1
1 60 . 4 1 1 A 11 11 SER CA C 11 55.960 57.131 -1.171 1
1 61 . 4 1 1 A 11 11 SER CB C 11 66.326 66.056 0.270 1
1 62 . 4 1 1 A 11 11 SER N N 11 119.068 116.576 2.492 1
1 63 . 4 1 1 A 12 12 GLY H H 12 8.248 7.600 0.648 1
1 64 . 4 1 1 A 12 12 GLY HA2 H 12 4.168 3.778 0.390 1
1 65 . 4 1 1 A 12 12 GLY HA3 H 12 3.478 4.113 -0.635 1
1 66 . 4 1 1 A 12 12 GLY C C 12 170.778 171.480 -0.702 1
1 67 . 4 1 1 A 12 12 GLY CA C 12 45.654 45.612 0.042 1
1 68 . 4 1 1 A 12 12 GLY N N 12 108.756 107.450 1.306 1
1 69 . 4 1 1 A 13 13 TRP H H 13 8.622 8.391 0.231 1
1 70 . 4 1 1 A 13 13 TRP HA H 13 5.398 4.767 0.631 1
1 79 . 4 1 1 A 13 13 TRP C C 13 177.511 176.029 1.482 1
1 80 . 4 1 1 A 13 13 TRP CA C 13 57.069 57.930 -0.861 1
1 81 . 4 1 1 A 13 13 TRP CB C 13 30.295 29.051 1.244 1
1 87 . 4 1 1 A 13 13 TRP N N 13 119.518 121.213 -1.695 1
1 89 . 4 1 1 A 14 14 LEU H H 14 9.524 9.031 0.493 1
1 90 . 4 1 1 A 14 14 LEU HA H 14 4.791 5.098 -0.307 1
1 100 . 4 1 1 A 14 14 LEU C C 14 175.381 175.328 0.053 1
1 101 . 4 1 1 A 14 14 LEU CA C 14 54.096 53.218 0.878 1
1 102 . 4 1 1 A 14 14 LEU CB C 14 47.682 44.693 2.989 1
1 106 . 4 1 1 A 14 14 LEU N N 14 124.165 125.758 -1.593 1
1 107 . 4 1 1 A 15 15 ASP H H 15 8.335 8.373 -0.038 1
1 108 . 4 1 1 A 15 15 ASP HA H 15 5.424 5.282 0.142 1
1 111 . 4 1 1 A 15 15 ASP C C 15 175.302 175.380 -0.078 1
1 112 . 4 1 1 A 15 15 ASP CA C 15 53.252 53.754 -0.502 1
1 113 . 4 1 1 A 15 15 ASP CB C 15 42.420 43.153 -0.733 1
1 114 . 4 1 1 A 15 15 ASP N N 15 120.275 122.511 -2.236 1
1 115 . 4 1 1 A 16 16 LYS H H 16 9.444 8.644 0.800 1
1 116 . 4 1 1 A 16 16 LYS HA H 16 4.781 4.829 -0.048 1
1 125 . 4 1 1 A 16 16 LYS C C 16 176.244 175.051 1.193 1
1 126 . 4 1 1 A 16 16 LYS CA C 16 54.782 54.344 0.438 1
1 127 . 4 1 1 A 16 16 LYS CB C 16 36.666 35.947 0.719 1
1 131 . 4 1 1 A 16 16 LYS N N 16 125.854 122.758 3.096 1
1 132 . 4 1 1 A 17 17 LEU H H 17 8.387 8.313 0.074 1
1 133 . 4 1 1 A 17 17 LEU HA H 17 3.476 3.775 -0.299 1
1 143 . 4 1 1 A 17 17 LEU C C 17 175.840 175.672 0.168 1
1 144 . 4 1 1 A 17 17 LEU CA C 17 55.715 54.724 0.991 1
1 145 . 4 1 1 A 17 17 LEU CB C 17 41.986 41.415 0.571 1
1 149 . 4 1 1 A 17 17 LEU N N 17 130.736 127.512 3.224 1
1 150 . 4 1 1 A 18 18 SER H H 18 8.378 8.131 0.247 1
1 151 . 4 1 1 A 18 18 SER HA H 18 4.563 4.879 -0.316 1
1 154 . 4 1 1 A 18 18 SER C C 18 172.291 171.934 0.357 1
1 155 . 4 1 1 A 18 18 SER CA C 18 55.697 55.862 -0.165 1
1 156 . 4 1 1 A 18 18 SER CB C 18 62.885 63.478 -0.593 1
1 157 . 4 1 1 A 18 18 SER N N 18 123.037 123.188 -0.151 1
1 158 . 4 1 1 A 19 19 PRO HA H 19 4.414 4.387 0.027 1
1 165 . 4 1 1 A 19 19 PRO CA C 19 63.946 62.852 1.094 1
1 166 . 4 1 1 A 19 19 PRO CB C 19 32.128 31.850 0.278 1
1 169 . 4 1 1 A 20 20 GLN H H 20 8.085 8.692 -0.607 1
1 170 . 4 1 1 A 20 20 GLN HA H 20 4.353 4.529 -0.176 1
1 175 . 4 1 1 A 20 20 GLN CA C 20 55.533 54.969 0.564 1
1 176 . 4 1 1 A 20 20 GLN CB C 20 30.130 29.307 0.823 1
1 178 . 4 1 1 A 20 20 GLN N N 20 119.721 121.761 -2.040 1
1 179 . 4 1 1 A 22 22 LYS H H 22 8.151 8.569 -0.418 1
1 180 . 4 1 1 A 22 22 LYS HA H 22 4.165 4.102 0.063 1
1 185 . 4 1 1 A 22 22 LYS C C 22 176.016 176.252 -0.236 1
1 186 . 4 1 1 A 22 22 LYS CA C 22 56.717 58.116 -1.399 1
1 187 . 4 1 1 A 22 22 LYS CB C 22 32.303 32.761 -0.458 1
1 191 . 4 1 1 A 23 23 ARG H H 23 8.329 7.717 0.612 1
1 192 . 4 1 1 A 23 23 ARG HA H 23 3.937 4.414 -0.477 1
1 199 . 4 1 1 A 23 23 ARG C C 23 174.937 175.356 -0.419 1
1 200 . 4 1 1 A 23 23 ARG CA C 23 56.436 55.871 0.565 1
1 201 . 4 1 1 A 23 23 ARG CB C 23 29.144 31.335 -2.191 1
1 204 . 4 1 1 A 23 23 ARG N N 23 119.006 115.821 3.185 1
1 205 . 4 1 1 A 24 24 MET H H 24 7.965 8.930 -0.965 1
1 206 . 4 1 1 A 24 24 MET HA H 24 4.492 4.614 -0.122 1
1 209 . 4 1 1 A 24 24 MET C C 24 174.737 175.614 -0.877 1
1 210 . 4 1 1 A 24 24 MET CA C 24 55.134 56.199 -1.065 1
1 211 . 4 1 1 A 24 24 MET CB C 24 33.665 34.663 -0.998 1
1 213 . 4 1 1 A 24 24 MET N N 24 120.460 118.748 1.712 1
1 214 . 4 1 1 A 25 25 PHE H H 25 8.593 8.081 0.512 1
1 215 . 4 1 1 A 25 25 PHE HA H 25 4.788 5.083 -0.295 1
1 223 . 4 1 1 A 25 25 PHE C C 25 175.712 175.252 0.460 1
1 224 . 4 1 1 A 25 25 PHE CA C 25 57.421 57.052 0.369 1
1 225 . 4 1 1 A 25 25 PHE CB C 25 41.890 41.465 0.425 1
1 231 . 4 1 1 A 25 25 PHE N N 25 121.330 114.746 6.584 1
1 232 . 4 1 1 A 26 26 GLN H H 26 8.758 8.748 0.010 1
1 233 . 4 1 1 A 26 26 GLN HA H 26 4.777 5.090 -0.313 1
1 240 . 4 1 1 A 26 26 GLN C C 26 175.149 174.663 0.486 1
1 241 . 4 1 1 A 26 26 GLN CA C 26 53.991 54.422 -0.431 1
1 242 . 4 1 1 A 26 26 GLN CB C 26 32.144 32.045 0.099 1
1 244 . 4 1 1 A 26 26 GLN N N 26 119.081 119.112 -0.031 1
1 246 . 4 1 1 A 27 27 LYS H H 27 8.913 8.708 0.205 1
1 247 . 4 1 1 A 27 27 LYS HA H 27 4.933 4.680 0.253 1
1 256 . 4 1 1 A 27 27 LYS C C 27 177.786 175.482 2.304 1
1 257 . 4 1 1 A 27 27 LYS CA C 27 57.843 56.615 1.228 1
1 258 . 4 1 1 A 27 27 LYS CB C 27 32.720 32.831 -0.111 1
1 262 . 4 1 1 A 27 27 LYS N N 27 126.903 125.607 1.296 1
1 263 . 4 1 1 A 28 28 ARG H H 28 9.847 8.616 1.231 1
1 264 . 4 1 1 A 28 28 ARG HA H 28 5.236 5.221 0.015 1
1 271 . 4 1 1 A 28 28 ARG C C 28 173.319 175.473 -2.154 1
1 272 . 4 1 1 A 28 28 ARG CA C 28 53.481 54.556 -1.075 1
1 273 . 4 1 1 A 28 28 ARG CB C 28 34.405 33.630 0.775 1
1 276 . 4 1 1 A 28 28 ARG N N 28 127.032 125.456 1.576 1
1 277 . 4 1 1 A 29 29 TRP H H 29 8.408 9.263 -0.855 1
1 278 . 4 1 1 A 29 29 TRP HA H 29 4.424 4.706 -0.282 1
1 285 . 4 1 1 A 29 29 TRP C C 29 174.606 175.580 -0.974 1
1 286 . 4 1 1 A 29 29 TRP CA C 29 56.383 59.378 -2.995 1
1 287 . 4 1 1 A 29 29 TRP CB C 29 29.226 30.361 -1.135 1
1 292 . 4 1 1 A 29 29 TRP N N 29 124.511 127.964 -3.453 1
1 293 . 4 1 1 A 30 30 VAL H H 30 8.464 7.804 0.660 1
1 294 . 4 1 1 A 30 30 VAL HA H 30 4.736 4.822 -0.086 1
1 302 . 4 1 1 A 30 30 VAL C C 30 172.903 174.310 -1.407 1
1 303 . 4 1 1 A 30 30 VAL CA C 30 61.219 60.031 1.188 1
1 304 . 4 1 1 A 30 30 VAL CB C 30 32.925 35.695 -2.770 1
1 307 . 4 1 1 A 30 30 VAL N N 30 129.572 126.940 2.632 1
1 308 . 4 1 1 A 31 31 LYS H H 31 9.125 8.589 0.536 1
1 309 . 4 1 1 A 31 31 LYS HA H 31 5.095 4.844 0.251 1
1 318 . 4 1 1 A 31 31 LYS C C 31 175.396 174.284 1.112 1
1 319 . 4 1 1 A 31 31 LYS CA C 31 54.677 55.555 -0.878 1
1 320 . 4 1 1 A 31 31 LYS CB C 31 37.036 36.380 0.656 1
1 324 . 4 1 1 A 31 31 LYS N N 31 124.358 126.452 -2.094 1
1 325 . 4 1 1 A 32 32 PHE H H 32 9.725 8.815 0.910 1
1 326 . 4 1 1 A 32 32 PHE HA H 32 5.905 5.275 0.630 1
1 334 . 4 1 1 A 32 32 PHE C C 32 174.555 174.198 0.357 1
1 335 . 4 1 1 A 32 32 PHE CA C 32 56.224 56.346 -0.122 1
1 336 . 4 1 1 A 32 32 PHE CB C 32 41.804 42.709 -0.905 1
1 342 . 4 1 1 A 32 32 PHE N N 32 125.979 127.245 -1.266 1
1 343 . 4 1 1 A 33 33 ASP H H 33 7.884 8.496 -0.612 1
1 344 . 4 1 1 A 33 33 ASP HA H 33 4.555 4.501 0.054 1
1 347 . 4 1 1 A 33 33 ASP C C 33 175.730 175.761 -0.031 1
1 348 . 4 1 1 A 33 33 ASP CA C 33 52.602 55.058 -2.456 1
1 349 . 4 1 1 A 33 33 ASP CB C 33 41.686 43.519 -1.833 1
1 350 . 4 1 1 A 33 33 ASP N N 33 126.924 124.622 2.302 1
1 351 . 4 1 1 A 34 34 GLY H H 34 4.680 7.058 -2.378 1
1 352 . 4 1 1 A 34 34 GLY HA2 H 34 4.252 3.589 0.663 1
1 353 . 4 1 1 A 34 34 GLY HA3 H 34 3.023 3.783 -0.760 1
1 354 . 4 1 1 A 34 34 GLY C C 34 172.363 175.772 -3.409 1
1 355 . 4 1 1 A 34 34 GLY CA C 34 45.672 45.119 0.553 1
1 356 . 4 1 1 A 35 35 LEU H H 35 8.148 8.073 0.075 1
1 357 . 4 1 1 A 35 35 LEU HA H 35 4.623 4.263 0.360 1
1 367 . 4 1 1 A 35 35 LEU C C 35 177.783 177.173 0.610 1
1 368 . 4 1 1 A 35 35 LEU CA C 35 55.978 56.200 -0.222 1
1 369 . 4 1 1 A 35 35 LEU CB C 35 44.352 42.592 1.760 1
1 373 . 4 1 1 A 35 35 LEU N N 35 120.632 120.607 0.025 1
1 374 . 4 1 1 A 36 36 SER H H 36 9.064 7.761 1.303 1
1 375 . 4 1 1 A 36 36 SER HA H 36 5.059 5.077 -0.018 1
1 378 . 4 1 1 A 36 36 SER C C 36 173.878 172.622 1.256 1
1 379 . 4 1 1 A 36 36 SER CA C 36 57.667 57.522 0.145 1
1 380 . 4 1 1 A 36 36 SER CB C 36 66.140 66.141 -0.001 1
1 381 . 4 1 1 A 36 36 SER N N 36 115.030 109.101 5.929 1
1 382 . 4 1 1 A 37 37 ILE H H 37 8.981 9.003 -0.022 1
1 383 . 4 1 1 A 37 37 ILE HA H 37 5.055 5.046 0.009 1
1 393 . 4 1 1 A 37 37 ILE C C 37 174.995 174.615 0.380 1
1 394 . 4 1 1 A 37 37 ILE CA C 37 61.061 60.755 0.306 1
1 395 . 4 1 1 A 37 37 ILE CB C 37 39.355 39.299 0.056 1
1 399 . 4 1 1 A 37 37 ILE N N 37 122.186 120.045 2.141 1
1 400 . 4 1 1 A 38 38 SER H H 38 9.422 9.023 0.399 1
1 401 . 4 1 1 A 38 38 SER HA H 38 5.297 4.883 0.414 1
1 404 . 4 1 1 A 38 38 SER C C 38 172.177 173.408 -1.231 1
1 405 . 4 1 1 A 38 38 SER CA C 38 56.910 58.023 -1.113 1
1 406 . 4 1 1 A 38 38 SER CB C 38 66.018 64.079 1.939 1
1 407 . 4 1 1 A 38 38 SER N N 38 122.548 124.656 -2.108 1
1 408 . 4 1 1 A 39 39 TYR H H 39 7.649 8.188 -0.539 1
1 409 . 4 1 1 A 39 39 TYR HA H 39 6.025 6.044 -0.019 1
1 416 . 4 1 1 A 39 39 TYR C C 39 173.937 173.849 0.088 1
1 417 . 4 1 1 A 39 39 TYR CA C 39 54.144 55.471 -1.327 1
1 418 . 4 1 1 A 39 39 TYR CB C 39 41.722 41.438 0.284 1
1 423 . 4 1 1 A 39 39 TYR N N 39 116.176 122.695 -6.519 1
1 424 . 4 1 1 A 40 40 TYR H H 40 9.647 9.508 0.139 1
1 425 . 4 1 1 A 40 40 TYR HA H 40 5.044 5.053 -0.009 1
1 432 . 4 1 1 A 40 40 TYR CA C 40 56.928 57.213 -0.285 1
1 433 . 4 1 1 A 40 40 TYR CB C 40 43.678 42.550 1.128 1
1 438 . 4 1 1 A 40 40 TYR N N 40 118.964 121.949 -2.985 1
1 439 . 4 1 1 A 41 41 ASN H H 41 7.712 8.895 -1.183 1
1 440 . 4 1 1 A 41 41 ASN HA H 41 4.867 5.021 -0.154 1
1 445 . 4 1 1 A 41 41 ASN CB C 41 39.279 39.850 -0.571 1
1 446 . 4 1 1 A 41 41 ASN N N 41 109.731 119.753 -10.022 1
1 448 . 4 1 1 A 42 42 ASN H H 42 9.215 9.026 0.189 1
1 449 . 4 1 1 A 42 42 ASN HA H 42 4.868 5.034 -0.166 1
1 452 . 4 1 1 A 42 42 ASN CA C 42 52.812 54.907 -2.095 1
1 453 . 4 1 1 A 42 42 ASN CB C 42 39.180 40.353 -1.173 1
1 458 . 4 1 1 A 44 44 LYS CB C 44 35.364 31.366 3.998 1
1 460 . 4 1 1 A 46 46 MET H H 46 8.285 7.998 0.287 1
1 461 . 4 1 1 A 46 46 MET HA H 46 4.218 5.179 -0.961 1
1 466 . 4 1 1 A 46 46 MET CA C 46 56.523 54.167 2.356 1
1 467 . 4 1 1 A 46 46 MET CB C 46 33.665 37.712 -4.047 1
1 469 . 4 1 1 A 47 47 TYR H H 47 7.965 8.658 -0.693 1
1 470 . 4 1 1 A 47 47 TYR HA H 47 4.935 4.729 0.206 1
1 477 . 4 1 1 A 47 47 TYR CA C 47 55.861 56.538 -0.677 1
1 478 . 4 1 1 A 47 47 TYR CB C 47 38.476 37.299 1.177 1
1 483 . 4 1 1 A 47 47 TYR N N 47 117.521 119.915 -2.394 1
1 484 . 4 1 1 A 49 49 LYS H H 49 8.704 8.697 0.007 1
1 485 . 4 1 1 A 49 49 LYS HA H 49 4.369 4.447 -0.078 1
1 494 . 4 1 1 A 49 49 LYS CA C 49 54.891 55.583 -0.692 1
1 495 . 4 1 1 A 49 49 LYS CB C 49 32.501 31.141 1.360 1
1 499 . 4 1 1 A 50 50 GLY H H 50 6.985 8.267 -1.282 1
1 500 . 4 1 1 A 50 50 GLY HA2 H 50 3.825 3.391 0.434 1
1 501 . 4 1 1 A 50 50 GLY HA3 H 50 3.265 4.082 -0.817 1
1 502 . 4 1 1 A 50 50 GLY C C 50 170.241 171.613 -1.372 1
1 503 . 4 1 1 A 50 50 GLY CA C 50 45.039 44.458 0.581 1
1 504 . 4 1 1 A 50 50 GLY N N 50 108.097 110.739 -2.642 1
1 505 . 4 1 1 A 51 51 ILE H H 51 7.890 8.840 -0.950 1
1 506 . 4 1 1 A 51 51 ILE HA H 51 4.777 5.134 -0.357 1
1 516 . 4 1 1 A 51 51 ILE C C 51 175.026 173.253 1.773 1
1 517 . 4 1 1 A 51 51 ILE CA C 51 60.217 58.878 1.339 1
1 518 . 4 1 1 A 51 51 ILE CB C 51 42.388 42.244 0.144 1
1 522 . 4 1 1 A 51 51 ILE N N 51 117.769 124.553 -6.784 1
1 523 . 4 1 1 A 52 52 ILE H H 52 9.485 9.019 0.466 1
1 524 . 4 1 1 A 52 52 ILE HA H 52 4.533 4.767 -0.234 1
1 534 . 4 1 1 A 52 52 ILE C C 52 173.526 174.527 -1.001 1
1 535 . 4 1 1 A 52 52 ILE CA C 52 57.983 57.927 0.056 1
1 536 . 4 1 1 A 52 52 ILE CB C 52 40.324 40.775 -0.451 1
1 540 . 4 1 1 A 52 52 ILE N N 52 127.899 127.598 0.301 1
1 541 . 4 1 1 A 53 53 PRO HA H 53 4.501 4.773 -0.272 1
1 548 . 4 1 1 A 53 53 PRO C C 53 177.663 178.123 -0.460 1
1 549 . 4 1 1 A 53 53 PRO CA C 53 62.838 63.043 -0.205 1
1 550 . 4 1 1 A 53 53 PRO CB C 53 31.939 31.815 0.124 1
1 553 . 4 1 1 A 54 54 LEU H H 54 8.647 8.932 -0.285 1
1 554 . 4 1 1 A 54 54 LEU HA H 54 3.985 4.215 -0.230 1
1 564 . 4 1 1 A 54 54 LEU C C 54 178.940 177.794 1.146 1
1 565 . 4 1 1 A 54 54 LEU CA C 54 58.371 57.991 0.380 1
1 566 . 4 1 1 A 54 54 LEU CB C 54 42.388 41.654 0.734 1
1 570 . 4 1 1 A 54 54 LEU N N 54 124.847 127.144 -2.297 1
1 571 . 4 1 1 A 55 55 SER H H 55 8.278 8.189 0.089 1
1 572 . 4 1 1 A 55 55 SER HA H 55 4.169 4.096 0.073 1
1 575 . 4 1 1 A 55 55 SER C C 55 174.956 177.218 -2.262 1
1 576 . 4 1 1 A 55 55 SER CA C 55 59.971 61.687 -1.716 1
1 577 . 4 1 1 A 55 55 SER CB C 55 62.721 62.910 -0.189 1
1 578 . 4 1 1 A 55 55 SER N N 55 109.639 114.109 -4.470 1
1 579 . 4 1 1 A 56 56 ALA H H 56 7.796 8.120 -0.324 1
1 580 . 4 1 1 A 56 56 ALA HA H 56 4.545 4.164 0.381 1
1 584 . 4 1 1 A 56 56 ALA C C 56 177.505 178.761 -1.256 1
1 585 . 4 1 1 A 56 56 ALA CA C 56 52.022 55.407 -3.385 1
1 586 . 4 1 1 A 56 56 ALA CB C 56 20.240 18.350 1.890 1
1 587 . 4 1 1 A 56 56 ALA N N 56 123.057 121.983 1.074 1
1 588 . 4 1 1 A 57 57 ILE H H 57 7.664 7.363 0.301 1
1 589 . 4 1 1 A 57 57 ILE HA H 57 4.035 4.195 -0.160 1
1 599 . 4 1 1 A 57 57 ILE C C 57 175.285 176.187 -0.902 1
1 600 . 4 1 1 A 57 57 ILE CA C 57 62.697 62.726 -0.029 1
1 601 . 4 1 1 A 57 57 ILE CB C 57 38.474 37.761 0.713 1
1 605 . 4 1 1 A 57 57 ILE N N 57 119.512 118.717 0.795 1
1 606 . 4 1 1 A 58 58 SER H H 58 9.364 9.272 0.092 1
1 607 . 4 1 1 A 58 58 SER HA H 58 4.526 4.492 0.034 1
1 610 . 4 1 1 A 58 58 SER C C 58 175.125 173.772 1.353 1
1 611 . 4 1 1 A 58 58 SER CA C 58 59.215 60.654 -1.439 1
1 612 . 4 1 1 A 58 58 SER CB C 58 63.590 63.669 -0.079 1
1 613 . 4 1 1 A 58 58 SER N N 58 122.513 123.923 -1.410 1
1 614 . 4 1 1 A 59 59 THR H H 59 7.502 7.658 -0.156 1
1 615 . 4 1 1 A 59 59 THR HA H 59 4.355 4.673 -0.318 1
1 620 . 4 1 1 A 59 59 THR C C 59 170.784 171.927 -1.143 1
1 621 . 4 1 1 A 59 59 THR CA C 59 61.132 60.528 0.604 1
1 622 . 4 1 1 A 59 59 THR CB C 59 68.686 70.609 -1.923 1
1 624 . 4 1 1 A 59 59 THR N N 59 112.470 113.035 -0.565 1
1 625 . 4 1 1 A 60 60 VAL H H 60 7.766 8.466 -0.700 1
1 626 . 4 1 1 A 60 60 VAL HA H 60 5.326 5.213 0.113 1
1 634 . 4 1 1 A 60 60 VAL C C 60 174.166 174.475 -0.309 1
1 635 . 4 1 1 A 60 60 VAL CA C 60 60.410 60.366 0.044 1
1 636 . 4 1 1 A 60 60 VAL CB C 60 34.979 35.789 -0.810 1
1 639 . 4 1 1 A 60 60 VAL N N 60 121.276 123.042 -1.766 1
1 640 . 4 1 1 A 61 61 ARG H H 61 8.941 8.652 0.289 1
1 641 . 4 1 1 A 61 61 ARG HA H 61 5.053 5.072 -0.019 1
1 648 . 4 1 1 A 61 61 ARG C C 61 175.460 174.993 0.467 1
1 649 . 4 1 1 A 61 61 ARG CA C 61 54.166 54.513 -0.347 1
1 650 . 4 1 1 A 61 61 ARG CB C 61 34.000 33.896 0.104 1
1 653 . 4 1 1 A 61 61 ARG N N 61 121.101 123.553 -2.452 1
1 654 . 4 1 1 A 62 62 VAL H H 62 8.627 8.673 -0.046 1
1 655 . 4 1 1 A 62 62 VAL HA H 62 4.195 4.245 -0.050 1
1 663 . 4 1 1 A 62 62 VAL C C 62 175.216 176.262 -1.046 1
1 664 . 4 1 1 A 62 62 VAL CA C 62 62.926 62.335 0.591 1
1 665 . 4 1 1 A 62 62 VAL CB C 62 33.459 32.495 0.964 1
1 668 . 4 1 1 A 62 62 VAL N N 62 118.451 120.602 -2.151 1
1 669 . 4 1 1 A 63 63 GLN H H 63 7.628 8.334 -0.706 1
1 670 . 4 1 1 A 63 63 GLN HA H 63 4.575 4.892 -0.317 1
1 677 . 4 1 1 A 63 63 GLN C C 63 174.418 176.229 -1.811 1
1 678 . 4 1 1 A 63 63 GLN CA C 63 55.451 53.820 1.631 1
1 679 . 4 1 1 A 63 63 GLN CB C 63 32.062 31.739 0.323 1
1 681 . 4 1 1 A 63 63 GLN N N 63 123.160 123.071 0.089 1
1 683 . 4 1 1 A 64 64 GLY H H 64 8.678 8.735 -0.057 1
1 684 . 4 1 1 A 64 64 GLY HA2 H 64 4.025 3.882 0.143 1
1 685 . 4 1 1 A 64 64 GLY HA3 H 64 3.895 3.884 0.011 1
1 686 . 4 1 1 A 64 64 GLY C C 64 174.592 173.029 1.563 1
1 687 . 4 1 1 A 64 64 GLY CA C 64 45.531 46.559 -1.028 1
1 688 . 4 1 1 A 64 64 GLY N N 64 112.406 110.090 2.316 1
1 689 . 4 1 1 A 65 65 ASP HA H 65 4.625 5.116 -0.491 1
1 692 . 4 1 1 A 65 65 ASP C C 65 176.902 175.739 1.163 1
1 693 . 4 1 1 A 65 65 ASP CA C 65 55.486 52.846 2.640 1
1 694 . 4 1 1 A 65 65 ASP CB C 65 40.817 42.807 -1.990 1
1 695 . 4 1 1 A 66 66 ASN H H 66 7.979 8.869 -0.890 1
1 696 . 4 1 1 A 66 66 ASN HA H 66 4.554 4.316 0.238 1
1 701 . 4 1 1 A 66 66 ASN C C 66 174.456 173.979 0.477 1
1 702 . 4 1 1 A 66 66 ASN CA C 66 52.795 54.362 -1.567 1
1 703 . 4 1 1 A 66 66 ASN CB C 66 37.981 37.247 0.734 1
1 704 . 4 1 1 A 66 66 ASN N N 66 112.071 117.088 -5.017 1
1 706 . 4 1 1 A 67 67 LYS H H 67 7.476 7.477 -0.001 1
1 707 . 4 1 1 A 67 67 LYS HA H 67 5.914 4.980 0.934 1
1 716 . 4 1 1 A 67 67 LYS C C 67 177.922 175.369 2.553 1
1 717 . 4 1 1 A 67 67 LYS CA C 67 54.906 54.811 0.095 1
1 718 . 4 1 1 A 67 67 LYS CB C 67 36.707 36.725 -0.018 1
1 722 . 4 1 1 A 67 67 LYS N N 67 115.613 117.118 -1.505 1
1 723 . 4 1 1 A 68 68 PHE H H 68 9.227 8.327 0.900 1
1 724 . 4 1 1 A 68 68 PHE HA H 68 5.296 5.188 0.108 1
1 732 . 4 1 1 A 68 68 PHE C C 68 171.230 172.103 -0.873 1
1 733 . 4 1 1 A 68 68 PHE CA C 68 56.576 56.038 0.538 1
1 734 . 4 1 1 A 68 68 PHE CB C 68 42.790 41.933 0.857 1
1 740 . 4 1 1 A 68 68 PHE N N 68 117.009 117.460 -0.451 1
1 741 . 4 1 1 A 69 69 GLU H H 69 9.527 9.278 0.249 1
1 742 . 4 1 1 A 69 69 GLU HA H 69 5.434 5.015 0.419 1
1 747 . 4 1 1 A 69 69 GLU C C 69 175.659 175.663 -0.004 1
1 748 . 4 1 1 A 69 69 GLU CA C 69 53.429 55.087 -1.658 1
1 749 . 4 1 1 A 69 69 GLU CB C 69 33.460 32.888 0.572 1
1 751 . 4 1 1 A 69 69 GLU N N 69 119.470 120.446 -0.976 1
1 752 . 4 1 1 A 70 70 VAL H H 70 9.486 9.158 0.328 1
1 753 . 4 1 1 A 70 70 VAL HA H 70 4.486 4.624 -0.138 1
1 761 . 4 1 1 A 70 70 VAL C C 70 174.403 175.544 -1.141 1
1 762 . 4 1 1 A 70 70 VAL CA C 70 62.240 61.909 0.331 1
1 763 . 4 1 1 A 70 70 VAL CB C 70 33.706 31.558 2.148 1
1 766 . 4 1 1 A 70 70 VAL N N 70 123.935 127.314 -3.379 1
1 767 . 4 1 1 A 71 71 VAL H H 71 8.658 8.381 0.277 1
1 768 . 4 1 1 A 71 71 VAL HA H 71 4.345 4.155 0.190 1
1 776 . 4 1 1 A 71 71 VAL C C 71 175.524 176.115 -0.591 1
1 777 . 4 1 1 A 71 71 VAL CA C 71 63.365 62.694 0.671 1
1 778 . 4 1 1 A 71 71 VAL CB C 71 32.802 31.707 1.095 1
1 781 . 4 1 1 A 71 71 VAL N N 71 129.195 127.957 1.238 1
1 782 . 4 1 1 A 72 72 THR H H 72 8.134 8.449 -0.315 1
1 783 . 4 1 1 A 72 72 THR HA H 72 5.515 4.909 0.606 1
1 788 . 4 1 1 A 72 72 THR C C 72 174.609 175.723 -1.114 1
1 789 . 4 1 1 A 72 72 THR CA C 72 59.496 59.795 -0.299 1
1 790 . 4 1 1 A 72 72 THR CB C 72 72.139 72.164 -0.025 1
1 792 . 4 1 1 A 72 72 THR N N 72 117.639 117.425 0.214 1
1 793 . 4 1 1 A 73 73 THR H H 73 8.944 8.985 -0.041 1
1 794 . 4 1 1 A 73 73 THR HA H 73 3.966 4.028 -0.062 1
1 799 . 4 1 1 A 73 73 THR C C 73 175.783 175.636 0.147 1
1 800 . 4 1 1 A 73 73 THR CA C 73 65.880 65.470 0.410 1
1 801 . 4 1 1 A 73 73 THR CB C 73 68.604 69.125 -0.521 1
1 803 . 4 1 1 A 73 73 THR N N 73 114.027 116.371 -2.344 1
1 804 . 4 1 1 A 74 74 GLN H H 74 7.997 7.935 0.062 1
1 805 . 4 1 1 A 74 74 GLN HA H 74 4.350 4.439 -0.089 1
1 812 . 4 1 1 A 74 74 GLN C C 74 175.698 175.530 0.168 1
1 813 . 4 1 1 A 74 74 GLN CA C 74 56.910 56.838 0.072 1
1 814 . 4 1 1 A 74 74 GLN CB C 74 30.624 31.036 -0.412 1
1 816 . 4 1 1 A 74 74 GLN N N 74 115.670 118.073 -2.403 1
1 818 . 4 1 1 A 75 75 ARG H H 75 7.366 7.836 -0.470 1
1 819 . 4 1 1 A 75 75 ARG HA H 75 4.395 4.149 0.246 1
1 826 . 4 1 1 A 75 75 ARG C C 75 174.546 175.200 -0.654 1
1 827 . 4 1 1 A 75 75 ARG CA C 75 55.802 55.404 0.398 1
1 828 . 4 1 1 A 75 75 ARG CB C 75 32.514 31.094 1.420 1
1 831 . 4 1 1 A 75 75 ARG N N 75 115.650 119.175 -3.525 1
1 832 . 4 1 1 A 76 76 THR H H 76 8.679 8.307 0.372 1
1 833 . 4 1 1 A 76 76 THR HA H 76 5.065 4.735 0.330 1
1 838 . 4 1 1 A 76 76 THR C C 76 173.239 173.138 0.101 1
1 839 . 4 1 1 A 76 76 THR CA C 76 61.888 60.738 1.150 1
1 840 . 4 1 1 A 76 76 THR CB C 76 69.878 71.622 -1.744 1
1 842 . 4 1 1 A 76 76 THR N N 76 120.285 117.248 3.037 1
1 843 . 4 1 1 A 77 77 PHE H H 77 9.156 9.184 -0.028 1
1 844 . 4 1 1 A 77 77 PHE HA H 77 4.385 5.101 -0.716 1
1 852 . 4 1 1 A 77 77 PHE C C 77 174.028 175.012 -0.984 1
1 853 . 4 1 1 A 77 77 PHE CA C 77 56.822 56.086 0.736 1
1 854 . 4 1 1 A 77 77 PHE CB C 77 41.640 42.824 -1.184 1
1 860 . 4 1 1 A 77 77 PHE N N 77 127.212 125.680 1.532 1
1 861 . 4 1 1 A 78 78 VAL H H 78 8.374 8.322 0.052 1
1 862 . 4 1 1 A 78 78 VAL HA H 78 4.506 4.826 -0.320 1
1 870 . 4 1 1 A 78 78 VAL C C 78 173.264 174.222 -0.958 1
1 871 . 4 1 1 A 78 78 VAL CA C 78 61.730 60.422 1.308 1
1 872 . 4 1 1 A 78 78 VAL CB C 78 33.254 35.888 -2.634 1
1 875 . 4 1 1 A 78 78 VAL N N 78 123.393 119.657 3.736 1
1 876 . 4 1 1 A 79 79 PHE H H 79 8.458 8.561 -0.103 1
1 877 . 4 1 1 A 79 79 PHE HA H 79 5.403 5.155 0.248 1
1 885 . 4 1 1 A 79 79 PHE C C 79 173.855 173.666 0.189 1
1 886 . 4 1 1 A 79 79 PHE CA C 79 55.151 55.585 -0.434 1
1 887 . 4 1 1 A 79 79 PHE CB C 79 42.913 43.310 -0.397 1
1 893 . 4 1 1 A 79 79 PHE N N 79 123.801 124.530 -0.729 1
1 894 . 4 1 1 A 80 80 ARG H H 80 9.407 8.309 1.098 1
1 895 . 4 1 1 A 80 80 ARG HA H 80 5.134 4.833 0.301 1
1 902 . 4 1 1 A 80 80 ARG C C 80 174.634 175.320 -0.686 1
1 903 . 4 1 1 A 80 80 ARG CA C 80 54.431 54.533 -0.102 1
1 904 . 4 1 1 A 80 80 ARG CB C 80 35.227 33.690 1.537 1
1 907 . 4 1 1 A 80 80 ARG N N 80 121.570 121.183 0.387 1
1 908 . 4 1 1 A 81 81 VAL H H 81 8.544 8.470 0.074 1
1 909 . 4 1 1 A 81 81 VAL HA H 81 4.708 4.794 -0.086 1
1 917 . 4 1 1 A 81 81 VAL C C 81 175.050 175.743 -0.693 1
1 918 . 4 1 1 A 81 81 VAL CA C 81 59.602 59.802 -0.200 1
1 919 . 4 1 1 A 81 81 VAL CB C 81 33.706 34.572 -0.866 1
1 922 . 4 1 1 A 81 81 VAL N N 81 122.128 121.004 1.124 1
1 923 . 4 1 1 A 82 82 GLU H H 82 8.549 9.173 -0.624 1
1 924 . 4 1 1 A 82 82 GLU HA H 82 4.132 4.531 -0.399 1
1 929 . 4 1 1 A 82 82 GLU C C 82 176.909 175.480 1.429 1
1 930 . 4 1 1 A 82 82 GLU CA C 82 58.973 56.981 1.992 1
1 931 . 4 1 1 A 82 82 GLU CB C 82 30.582 31.871 -1.289 1
1 933 . 4 1 1 A 82 82 GLU N N 82 121.776 121.949 -0.173 1
1 934 . 4 1 1 A 83 83 LYS H H 83 7.618 7.594 0.024 1
1 935 . 4 1 1 A 83 83 LYS HA H 83 4.708 4.712 -0.004 1
1 944 . 4 1 1 A 83 83 LYS C C 83 176.665 176.582 0.083 1
1 945 . 4 1 1 A 83 83 LYS CA C 83 54.694 54.658 0.036 1
1 946 . 4 1 1 A 83 83 LYS CB C 83 34.775 36.412 -1.637 1
1 950 . 4 1 1 A 83 83 LYS N N 83 115.778 118.155 -2.377 1
1 951 . 4 1 1 A 84 84 GLU H H 84 9.150 8.920 0.230 1
1 952 . 4 1 1 A 84 84 GLU HA H 84 3.953 3.919 0.034 1
1 957 . 4 1 1 A 84 84 GLU C C 84 178.243 178.014 0.229 1
1 958 . 4 1 1 A 84 84 GLU CA C 84 60.217 60.044 0.173 1
1 959 . 4 1 1 A 84 84 GLU CB C 84 29.843 29.531 0.312 1
1 961 . 4 1 1 A 84 84 GLU N N 84 127.798 123.562 4.236 1
1 962 . 4 1 1 A 85 85 GLU H H 85 9.626 8.335 1.291 1
1 963 . 4 1 1 A 85 85 GLU HA H 85 4.100 4.076 0.024 1
1 968 . 4 1 1 A 85 85 GLU C C 85 178.948 178.702 0.246 1
1 969 . 4 1 1 A 85 85 GLU CA C 85 59.847 59.412 0.435 1
1 970 . 4 1 1 A 85 85 GLU CB C 85 28.897 29.311 -0.414 1
1 972 . 4 1 1 A 85 85 GLU N N 85 117.844 117.839 0.005 1
1 973 . 4 1 1 A 86 86 GLU H H 86 7.257 8.469 -1.212 1
1 974 . 4 1 1 A 86 86 GLU HA H 86 4.365 4.000 0.365 1
1 979 . 4 1 1 A 86 86 GLU C C 86 178.607 179.322 -0.715 1
1 980 . 4 1 1 A 86 86 GLU CA C 86 58.089 59.352 -1.263 1
1 981 . 4 1 1 A 86 86 GLU CB C 86 30.212 29.479 0.733 1
1 983 . 4 1 1 A 86 86 GLU N N 86 118.075 119.601 -1.526 1
1 984 . 4 1 1 A 87 87 ARG H H 87 7.919 7.663 0.256 1
1 985 . 4 1 1 A 87 87 ARG HA H 87 3.838 4.153 -0.315 1
1 992 . 4 1 1 A 87 87 ARG C C 87 177.977 179.172 -1.195 1
1 993 . 4 1 1 A 87 87 ARG CA C 87 60.815 59.434 1.381 1
1 994 . 4 1 1 A 87 87 ARG CB C 87 28.856 30.012 -1.156 1
1 997 . 4 1 1 A 87 87 ARG N N 87 121.287 120.798 0.489 1
1 998 . 4 1 1 A 88 88 ASN H H 88 8.421 7.715 0.706 1
1 999 . 4 1 1 A 88 88 ASN HA H 88 4.295 4.538 -0.243 1
1 1004 . 4 1 1 A 88 88 ASN C C 88 177.423 177.506 -0.083 1
1 1005 . 4 1 1 A 88 88 ASN CA C 88 55.627 56.420 -0.793 1
1 1006 . 4 1 1 A 88 88 ASN CB C 88 37.136 38.319 -1.183 1
1 1007 . 4 1 1 A 88 88 ASN N N 88 116.926 117.709 -0.783 1
1 1009 . 4 1 1 A 89 89 ASP H H 89 7.790 8.362 -0.572 1
1 1010 . 4 1 1 A 89 89 ASP HA H 89 4.389 4.181 0.208 1
1 1013 . 4 1 1 A 89 89 ASP C C 89 177.683 178.320 -0.637 1
1 1014 . 4 1 1 A 89 89 ASP CA C 89 57.737 57.190 0.547 1
1 1015 . 4 1 1 A 89 89 ASP CB C 89 41.352 41.650 -0.298 1
1 1016 . 4 1 1 A 89 89 ASP N N 89 121.867 118.758 3.109 1
1 1017 . 4 1 1 A 90 90 TRP H H 90 7.690 8.402 -0.712 1
1 1018 . 4 1 1 A 90 90 TRP HA H 90 3.666 4.212 -0.546 1
1 1027 . 4 1 1 A 90 90 TRP C C 90 177.880 178.553 -0.673 1
1 1028 . 4 1 1 A 90 90 TRP CA C 90 61.704 59.775 1.929 1
1 1029 . 4 1 1 A 90 90 TRP CB C 90 29.594 29.151 0.443 1
1 1035 . 4 1 1 A 90 90 TRP N N 90 117.617 119.685 -2.068 1
1 1037 . 4 1 1 A 91 91 ILE H H 91 7.654 8.033 -0.379 1
1 1038 . 4 1 1 A 91 91 ILE HA H 91 3.275 3.534 -0.259 1
1 1048 . 4 1 1 A 91 91 ILE C C 91 177.138 177.995 -0.857 1
1 1049 . 4 1 1 A 91 91 ILE CA C 91 65.001 65.365 -0.364 1
1 1050 . 4 1 1 A 91 91 ILE CB C 91 36.913 37.631 -0.718 1
1 1054 . 4 1 1 A 91 91 ILE N N 91 114.248 120.227 -5.979 1
1 1055 . 4 1 1 A 92 92 SER H H 92 8.055 8.399 -0.344 1
1 1056 . 4 1 1 A 92 92 SER HA H 92 4.045 4.049 -0.004 1
1 1059 . 4 1 1 A 92 92 SER C C 92 177.204 177.127 0.077 1
1 1060 . 4 1 1 A 92 92 SER CA C 92 61.923 61.764 0.159 1
1 1061 . 4 1 1 A 92 92 SER CB C 92 62.767 63.001 -0.234 1
1 1062 . 4 1 1 A 92 92 SER N N 92 114.018 115.043 -1.025 1
1 1063 . 4 1 1 A 93 93 ILE H H 93 7.926 7.861 0.065 1
1 1064 . 4 1 1 A 93 93 ILE HA H 93 3.795 3.671 0.124 1
1 1074 . 4 1 1 A 93 93 ILE C C 93 178.947 178.152 0.795 1
1 1075 . 4 1 1 A 93 93 ILE CA C 93 64.825 65.242 -0.417 1
1 1076 . 4 1 1 A 93 93 ILE CB C 93 37.693 37.899 -0.206 1
1 1080 . 4 1 1 A 93 93 ILE N N 93 120.974 120.849 0.125 1
1 1081 . 4 1 1 A 94 94 LEU H H 94 7.678 7.978 -0.300 1
1 1082 . 4 1 1 A 94 94 LEU HA H 94 3.634 3.717 -0.083 1
1 1092 . 4 1 1 A 94 94 LEU C C 94 178.551 179.035 -0.484 1
1 1093 . 4 1 1 A 94 94 LEU CA C 94 57.861 57.938 -0.077 1
1 1094 . 4 1 1 A 94 94 LEU CB C 94 42.356 41.927 0.429 1
1 1098 . 4 1 1 A 94 94 LEU N N 94 121.223 119.133 2.090 1
1 1099 . 4 1 1 A 95 95 LEU H H 95 8.954 8.492 0.462 1
1 1100 . 4 1 1 A 95 95 LEU HA H 95 4.037 3.838 0.199 1
1 1110 . 4 1 1 A 95 95 LEU C C 95 180.858 179.024 1.834 1
1 1111 . 4 1 1 A 95 95 LEU CA C 95 58.194 58.126 0.068 1
1 1112 . 4 1 1 A 95 95 LEU CB C 95 41.286 41.563 -0.277 1
1 1116 . 4 1 1 A 95 95 LEU N N 95 118.177 118.074 0.103 1
1 1117 . 4 1 1 A 96 96 ASN H H 96 8.235 8.599 -0.364 1
1 1118 . 4 1 1 A 96 96 ASN HA H 96 4.445 4.348 0.097 1
1 1123 . 4 1 1 A 96 96 ASN C C 96 177.901 177.422 0.479 1
1 1124 . 4 1 1 A 96 96 ASN CA C 96 56.347 57.029 -0.682 1
1 1125 . 4 1 1 A 96 96 ASN CB C 96 38.105 39.744 -1.639 1
1 1126 . 4 1 1 A 96 96 ASN N N 96 117.502 116.988 0.514 1
1 1128 . 4 1 1 A 97 97 ALA H H 97 7.756 7.587 0.169 1
1 1129 . 4 1 1 A 97 97 ALA HA H 97 4.305 4.191 0.114 1
1 1133 . 4 1 1 A 97 97 ALA C C 97 180.315 179.952 0.363 1
1 1134 . 4 1 1 A 97 97 ALA CA C 97 54.906 55.241 -0.335 1
1 1135 . 4 1 1 A 97 97 ALA CB C 97 19.214 18.593 0.621 1
1 1136 . 4 1 1 A 97 97 ALA N N 97 123.457 121.996 1.461 1
1 1137 . 4 1 1 A 98 98 LEU H H 98 8.335 8.184 0.151 1
1 1138 . 4 1 1 A 98 98 LEU HA H 98 4.055 4.324 -0.269 1
1 1148 . 4 1 1 A 98 98 LEU C C 98 179.542 179.617 -0.075 1
1 1149 . 4 1 1 A 98 98 LEU CA C 98 57.578 58.114 -0.536 1
1 1150 . 4 1 1 A 98 98 LEU CB C 98 42.174 41.487 0.687 1
1 1154 . 4 1 1 A 98 98 LEU N N 98 119.610 118.114 1.496 1
1 1155 . 4 1 1 A 99 99 LYS H H 99 7.969 7.976 -0.007 1
1 1156 . 4 1 1 A 99 99 LYS HA H 99 4.203 3.978 0.225 1
1 1165 . 4 1 1 A 99 99 LYS C C 99 178.392 178.877 -0.485 1
1 1166 . 4 1 1 A 99 99 LYS CA C 99 58.563 59.448 -0.885 1
1 1167 . 4 1 1 A 99 99 LYS CB C 99 32.267 32.348 -0.081 1
1 1171 . 4 1 1 A 99 99 LYS N N 99 119.323 119.044 0.279 1
1 1172 . 4 1 1 A 100 100 SER H H 100 7.854 7.596 0.258 1
1 1173 . 4 1 1 A 100 100 SER HA H 100 4.404 4.116 0.288 1
1 1176 . 4 1 1 A 100 100 SER C C 100 175.449 176.833 -1.384 1
1 1177 . 4 1 1 A 100 100 SER CA C 100 60.076 61.654 -1.578 1
1 1178 . 4 1 1 A 100 100 SER CB C 100 63.600 63.150 0.450 1
1 1179 . 4 1 1 A 100 100 SER N N 100 114.116 114.663 -0.547 1
1 1180 . 4 1 1 A 101 101 GLN H H 101 7.863 8.190 -0.327 1
1 1181 . 4 1 1 A 101 101 GLN HA H 101 4.294 4.113 0.181 1
1 1188 . 4 1 1 A 101 101 GLN C C 101 176.613 177.874 -1.261 1
1 1189 . 4 1 1 A 101 101 GLN CA C 101 57.121 58.262 -1.141 1
1 1190 . 4 1 1 A 101 101 GLN CB C 101 29.761 28.822 0.939 1
1 1192 . 4 1 1 A 101 101 GLN N N 101 120.923 119.327 1.596 1
1 1194 . 4 1 1 A 102 102 SER H H 102 8.170 8.327 -0.157 1
1 1195 . 4 1 1 A 102 102 SER HA H 102 4.445 4.169 0.276 1
1 1198 . 4 1 1 A 102 102 SER C C 102 175.030 175.148 -0.118 1
1 1199 . 4 1 1 A 102 102 SER CA C 102 59.162 61.607 -2.445 1
1 1200 . 4 1 1 A 102 102 SER CB C 102 63.466 63.280 0.186 1
1 1201 . 4 1 1 A 102 102 SER N N 102 115.689 114.464 1.225 1
1 1202 . 4 1 1 A 103 103 LEU H H 103 8.111 7.539 0.572 1
1 1203 . 4 1 1 A 103 103 LEU HA H 103 4.400 4.221 0.179 1
1 1213 . 4 1 1 A 103 103 LEU C C 103 178.263 177.714 0.549 1
1 1214 . 4 1 1 A 103 103 LEU CA C 103 55.908 56.260 -0.352 1
1 1215 . 4 1 1 A 103 103 LEU CB C 103 42.215 41.792 0.423 1
1 1219 . 4 1 1 A 103 103 LEU N N 103 123.252 121.794 1.458 1
1 1220 . 4 1 1 A 104 104 THR H H 104 8.064 8.766 -0.702 1
1 1221 . 4 1 1 A 104 104 THR HA H 104 4.354 4.030 0.324 1
1 1226 . 4 1 1 A 104 104 THR C C 104 175.092 174.097 0.995 1
1 1227 . 4 1 1 A 104 104 THR CA C 104 62.368 63.045 -0.677 1
1 1228 . 4 1 1 A 104 104 THR CB C 104 69.673 66.713 2.960 1
1 1230 . 4 1 1 A 104 104 THR N N 104 113.441 118.901 -5.460 1
1 1231 . 4 1 1 A 105 105 SER H H 105 8.231 7.719 0.512 1
1 1232 . 4 1 1 A 105 105 SER C C 105 177.959 173.549 4.410 1
1 1233 . 4 1 1 A 105 105 SER CA C 105 58.406 57.508 0.898 1
1 1234 . 4 1 1 A 105 105 SER CB C 105 63.507 65.642 -2.135 1
1 1235 . 4 1 1 A 105 105 SER N N 105 117.638 116.857 0.781 1
1 1236 . 4 1 1 A 106 106 GLN HA H 106 4.365 4.912 -0.547 1
1 1239 . 4 1 1 A 106 106 GLN C C 106 176.322 173.829 2.493 1
1 1240 . 4 1 1 A 106 106 GLN CA C 106 56.189 54.741 1.448 1
1 1241 . 4 1 1 A 106 106 GLN CB C 106 29.226 30.021 -0.795 1
1 1243 . 4 1 1 A 107 107 SER H H 107 8.287 8.987 -0.700 1
1 1244 . 4 1 1 A 107 107 SER HA H 107 4.404 5.092 -0.688 1
1 1246 . 4 1 1 A 107 107 SER C C 107 174.687 173.285 1.402 1
1 1247 . 4 1 1 A 107 107 SER CA C 107 58.722 56.713 2.009 1
1 1248 . 4 1 1 A 107 107 SER CB C 107 63.713 63.645 0.068 1
1 1249 . 4 1 1 A 107 107 SER N N 107 116.578 120.532 -3.954 1
1 1250 . 4 1 1 A 108 108 GLN H H 108 8.354 8.476 -0.122 1
1 1251 . 4 1 1 A 108 108 GLN HA H 108 4.349 4.847 -0.498 1
1 1258 . 4 1 1 A 108 108 GLN C C 108 175.798 174.851 0.947 1
1 1259 . 4 1 1 A 108 108 GLN CA C 108 55.820 55.007 0.813 1
1 1260 . 4 1 1 A 108 108 GLN CB C 108 29.432 30.852 -1.420 1
1 1262 . 4 1 1 A 108 108 GLN N N 108 122.015 124.535 -2.520 1
1 1264 . 4 1 1 A 109 109 ALA H H 109 8.301 8.186 0.115 1
1 1265 . 4 1 1 A 109 109 ALA HA H 109 4.345 4.752 -0.407 1
1 1269 . 4 1 1 A 109 109 ALA C C 109 177.749 177.104 0.645 1
1 1270 . 4 1 1 A 109 109 ALA CA C 109 52.672 50.649 2.023 1
1 1271 . 4 1 1 A 109 109 ALA CB C 109 19.237 18.941 0.296 1
1 1272 . 4 1 1 A 109 109 ALA N N 109 125.243 122.138 3.105 1
1 1273 . 4 1 1 A 110 110 SER H H 110 8.290 8.199 0.091 1
1 1274 . 4 1 1 A 110 110 SER HA H 110 4.459 4.071 0.388 1
1 1277 . 4 1 1 A 110 110 SER C C 110 174.593 173.222 1.371 1
1 1278 . 4 1 1 A 110 110 SER CA C 110 58.248 59.273 -1.025 1
1 1279 . 4 1 1 A 110 110 SER CB C 110 63.918 62.468 1.450 1
1 1280 . 4 1 1 A 110 110 SER N N 110 115.148 112.511 2.637 1
1 1281 . 4 1 1 A 111 111 GLY H H 111 8.199 8.143 0.056 1
1 1282 . 4 1 1 A 111 111 GLY HA2 H 111 4.167 4.074 0.093 1
1 1283 . 4 1 1 A 111 111 GLY HA3 H 111 4.094 4.074 0.020 1
1 1284 . 4 1 1 A 111 111 GLY C C 111 171.782 171.788 -0.006 1
1 1285 . 4 1 1 A 111 111 GLY CA C 111 44.652 45.597 -0.945 1
1 1286 . 4 1 1 A 111 111 GLY N N 111 110.586 106.400 4.186 1
1 1287 . 4 1 1 A 112 112 PRO HA H 112 4.471 4.541 -0.070 1
1 1294 . 4 1 1 A 112 112 PRO CA C 112 63.154 62.787 0.367 1
1 1295 . 4 1 1 A 112 112 PRO CB C 112 32.314 31.579 0.735 1
1 1 . 5 1 1 A 7 7 GLY H H 7 9.055 8.503 0.552 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.908 4.139 -0.231 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 3.968 4.147 -0.179 1
1 4 . 5 1 1 A 7 7 GLY C C 7 173.671 173.727 -0.056 1
1 5 . 5 1 1 A 7 7 GLY CA C 7 45.421 44.770 0.651 1
1 6 . 5 1 1 A 8 8 LYS H H 8 8.145 8.630 -0.485 1
1 7 . 5 1 1 A 8 8 LYS HA H 8 4.345 4.552 -0.207 1
1 16 . 5 1 1 A 8 8 LYS C C 8 175.255 176.270 -1.015 1
1 17 . 5 1 1 A 8 8 LYS CA C 8 56.330 56.255 0.075 1
1 18 . 5 1 1 A 8 8 LYS CB C 8 33.583 33.069 0.514 1
1 22 . 5 1 1 A 8 8 LYS N N 8 120.101 121.706 -1.605 1
1 23 . 5 1 1 A 9 9 VAL H H 9 7.579 7.461 0.118 1
1 24 . 5 1 1 A 9 9 VAL HA H 9 4.473 5.026 -0.553 1
1 32 . 5 1 1 A 9 9 VAL C C 9 174.860 174.335 0.525 1
1 33 . 5 1 1 A 9 9 VAL CA C 9 59.989 58.724 1.265 1
1 34 . 5 1 1 A 9 9 VAL CB C 9 34.218 35.971 -1.753 1
1 37 . 5 1 1 A 9 9 VAL N N 9 114.437 118.058 -3.621 1
1 38 . 5 1 1 A 10 10 LYS H H 10 8.236 8.358 -0.122 1
1 39 . 5 1 1 A 10 10 LYS HA H 10 4.345 4.678 -0.333 1
1 48 . 5 1 1 A 10 10 LYS C C 10 172.963 174.274 -1.311 1
1 49 . 5 1 1 A 10 10 LYS CA C 10 56.096 55.651 0.445 1
1 50 . 5 1 1 A 10 10 LYS CB C 10 36.131 36.361 -0.230 1
1 54 . 5 1 1 A 10 10 LYS N N 10 122.938 121.722 1.216 1
1 55 . 5 1 1 A 11 11 SER H H 11 8.168 8.529 -0.361 1
1 56 . 5 1 1 A 11 11 SER HA H 11 5.669 5.284 0.385 1
1 59 . 5 1 1 A 11 11 SER C C 11 173.281 173.197 0.084 1
1 60 . 5 1 1 A 11 11 SER CA C 11 55.960 57.306 -1.346 1
1 61 . 5 1 1 A 11 11 SER CB C 11 66.326 66.045 0.281 1
1 62 . 5 1 1 A 11 11 SER N N 11 119.068 116.656 2.412 1
1 63 . 5 1 1 A 12 12 GLY H H 12 8.248 8.150 0.098 1
1 64 . 5 1 1 A 12 12 GLY HA2 H 12 4.168 4.181 -0.013 1
1 65 . 5 1 1 A 12 12 GLY HA3 H 12 3.478 4.329 -0.851 1
1 66 . 5 1 1 A 12 12 GLY C C 12 170.778 171.592 -0.814 1
1 67 . 5 1 1 A 12 12 GLY CA C 12 45.654 45.480 0.174 1
1 68 . 5 1 1 A 12 12 GLY N N 12 108.756 108.456 0.300 1
1 69 . 5 1 1 A 13 13 TRP H H 13 8.622 8.777 -0.155 1
1 70 . 5 1 1 A 13 13 TRP HA H 13 5.398 4.990 0.408 1
1 79 . 5 1 1 A 13 13 TRP C C 13 177.511 176.117 1.394 1
1 80 . 5 1 1 A 13 13 TRP CA C 13 57.069 57.788 -0.719 1
1 81 . 5 1 1 A 13 13 TRP CB C 13 30.295 29.110 1.185 1
1 87 . 5 1 1 A 13 13 TRP N N 13 119.518 121.279 -1.761 1
1 89 . 5 1 1 A 14 14 LEU H H 14 9.524 9.165 0.359 1
1 90 . 5 1 1 A 14 14 LEU HA H 14 4.791 5.135 -0.344 1
1 100 . 5 1 1 A 14 14 LEU C C 14 175.381 175.986 -0.605 1
1 101 . 5 1 1 A 14 14 LEU CA C 14 54.096 53.289 0.807 1
1 102 . 5 1 1 A 14 14 LEU CB C 14 47.682 44.941 2.741 1
1 106 . 5 1 1 A 14 14 LEU N N 14 124.165 125.726 -1.561 1
1 107 . 5 1 1 A 15 15 ASP H H 15 8.335 8.605 -0.270 1
1 108 . 5 1 1 A 15 15 ASP HA H 15 5.424 5.771 -0.347 1
1 111 . 5 1 1 A 15 15 ASP C C 15 175.302 174.541 0.761 1
1 112 . 5 1 1 A 15 15 ASP CA C 15 53.252 52.918 0.334 1
1 113 . 5 1 1 A 15 15 ASP CB C 15 42.420 43.672 -1.252 1
1 114 . 5 1 1 A 15 15 ASP N N 15 120.275 120.777 -0.502 1
1 115 . 5 1 1 A 16 16 LYS H H 16 9.444 8.868 0.576 1
1 116 . 5 1 1 A 16 16 LYS HA H 16 4.781 4.862 -0.081 1
1 125 . 5 1 1 A 16 16 LYS C C 16 176.244 174.872 1.372 1
1 126 . 5 1 1 A 16 16 LYS CA C 16 54.782 54.818 -0.036 1
1 127 . 5 1 1 A 16 16 LYS CB C 16 36.666 34.673 1.993 1
1 131 . 5 1 1 A 16 16 LYS N N 16 125.854 126.085 -0.231 1
1 132 . 5 1 1 A 17 17 LEU H H 17 8.387 7.920 0.467 1
1 133 . 5 1 1 A 17 17 LEU HA H 17 3.476 3.845 -0.369 1
1 143 . 5 1 1 A 17 17 LEU C C 17 175.840 176.101 -0.261 1
1 144 . 5 1 1 A 17 17 LEU CA C 17 55.715 52.900 2.815 1
1 145 . 5 1 1 A 17 17 LEU CB C 17 41.986 41.067 0.919 1
1 149 . 5 1 1 A 17 17 LEU N N 17 130.736 126.881 3.855 1
1 150 . 5 1 1 A 18 18 SER H H 18 8.378 8.497 -0.119 1
1 151 . 5 1 1 A 18 18 SER HA H 18 4.563 4.286 0.277 1
1 154 . 5 1 1 A 18 18 SER C C 18 172.291 174.087 -1.796 1
1 155 . 5 1 1 A 18 18 SER CA C 18 55.697 62.748 -7.051 1
1 156 . 5 1 1 A 18 18 SER CB C 18 62.885 61.782 1.103 1
1 157 . 5 1 1 A 18 18 SER N N 18 123.037 121.351 1.686 1
1 158 . 5 1 1 A 19 19 PRO HA H 19 4.414 4.568 -0.154 1
1 165 . 5 1 1 A 19 19 PRO CA C 19 63.946 62.502 1.444 1
1 166 . 5 1 1 A 19 19 PRO CB C 19 32.128 32.098 0.030 1
1 169 . 5 1 1 A 20 20 GLN H H 20 8.085 8.543 -0.458 1
1 170 . 5 1 1 A 20 20 GLN HA H 20 4.353 4.196 0.157 1
1 175 . 5 1 1 A 20 20 GLN CA C 20 55.533 56.306 -0.773 1
1 176 . 5 1 1 A 20 20 GLN CB C 20 30.130 29.258 0.872 1
1 178 . 5 1 1 A 20 20 GLN N N 20 119.721 121.442 -1.721 1
1 179 . 5 1 1 A 22 22 LYS H H 22 8.151 7.575 0.576 1
1 180 . 5 1 1 A 22 22 LYS HA H 22 4.165 4.756 -0.591 1
1 185 . 5 1 1 A 22 22 LYS C C 22 176.016 175.210 0.806 1
1 186 . 5 1 1 A 22 22 LYS CA C 22 56.717 54.317 2.400 1
1 187 . 5 1 1 A 22 22 LYS CB C 22 32.303 36.228 -3.925 1
1 191 . 5 1 1 A 23 23 ARG H H 23 8.329 8.589 -0.260 1
1 192 . 5 1 1 A 23 23 ARG HA H 23 3.937 4.523 -0.586 1
1 199 . 5 1 1 A 23 23 ARG C C 23 174.937 175.024 -0.087 1
1 200 . 5 1 1 A 23 23 ARG CA C 23 56.436 55.519 0.917 1
1 201 . 5 1 1 A 23 23 ARG CB C 23 29.144 28.532 0.612 1
1 204 . 5 1 1 A 23 23 ARG N N 23 119.006 124.704 -5.698 1
1 205 . 5 1 1 A 24 24 MET H H 24 7.965 7.940 0.025 1
1 206 . 5 1 1 A 24 24 MET HA H 24 4.492 5.075 -0.583 1
1 209 . 5 1 1 A 24 24 MET C C 24 174.737 174.347 0.390 1
1 210 . 5 1 1 A 24 24 MET CA C 24 55.134 54.819 0.315 1
1 211 . 5 1 1 A 24 24 MET CB C 24 33.665 35.892 -2.227 1
1 213 . 5 1 1 A 24 24 MET N N 24 120.460 124.298 -3.838 1
1 214 . 5 1 1 A 25 25 PHE H H 25 8.593 9.346 -0.753 1
1 215 . 5 1 1 A 25 25 PHE HA H 25 4.788 5.322 -0.534 1
1 223 . 5 1 1 A 25 25 PHE C C 25 175.712 175.351 0.361 1
1 224 . 5 1 1 A 25 25 PHE CA C 25 57.421 56.213 1.208 1
1 225 . 5 1 1 A 25 25 PHE CB C 25 41.890 42.573 -0.683 1
1 231 . 5 1 1 A 25 25 PHE N N 25 121.330 123.605 -2.275 1
1 232 . 5 1 1 A 26 26 GLN H H 26 8.758 8.492 0.266 1
1 233 . 5 1 1 A 26 26 GLN HA H 26 4.777 4.503 0.274 1
1 240 . 5 1 1 A 26 26 GLN C C 26 175.149 175.074 0.075 1
1 241 . 5 1 1 A 26 26 GLN CA C 26 53.991 55.682 -1.691 1
1 242 . 5 1 1 A 26 26 GLN CB C 26 32.144 29.578 2.566 1
1 244 . 5 1 1 A 26 26 GLN N N 26 119.081 120.846 -1.765 1
1 246 . 5 1 1 A 27 27 LYS H H 27 8.913 8.684 0.229 1
1 247 . 5 1 1 A 27 27 LYS HA H 27 4.933 5.054 -0.121 1
1 256 . 5 1 1 A 27 27 LYS C C 27 177.786 175.604 2.182 1
1 257 . 5 1 1 A 27 27 LYS CA C 27 57.843 54.917 2.926 1
1 258 . 5 1 1 A 27 27 LYS CB C 27 32.720 34.123 -1.403 1
1 262 . 5 1 1 A 27 27 LYS N N 27 126.903 123.209 3.694 1
1 263 . 5 1 1 A 28 28 ARG H H 28 9.847 8.443 1.404 1
1 264 . 5 1 1 A 28 28 ARG HA H 28 5.236 5.101 0.135 1
1 271 . 5 1 1 A 28 28 ARG C C 28 173.319 175.278 -1.959 1
1 272 . 5 1 1 A 28 28 ARG CA C 28 53.481 54.302 -0.821 1
1 273 . 5 1 1 A 28 28 ARG CB C 28 34.405 34.042 0.363 1
1 276 . 5 1 1 A 28 28 ARG N N 28 127.032 125.749 1.283 1
1 277 . 5 1 1 A 29 29 TRP H H 29 8.408 8.713 -0.305 1
1 278 . 5 1 1 A 29 29 TRP HA H 29 4.424 4.544 -0.120 1
1 285 . 5 1 1 A 29 29 TRP C C 29 174.606 175.026 -0.420 1
1 286 . 5 1 1 A 29 29 TRP CA C 29 56.383 58.181 -1.798 1
1 287 . 5 1 1 A 29 29 TRP CB C 29 29.226 30.110 -0.884 1
1 292 . 5 1 1 A 29 29 TRP N N 29 124.511 125.029 -0.518 1
1 293 . 5 1 1 A 30 30 VAL H H 30 8.464 7.935 0.529 1
1 294 . 5 1 1 A 30 30 VAL HA H 30 4.736 4.784 -0.048 1
1 302 . 5 1 1 A 30 30 VAL C C 30 172.903 174.290 -1.387 1
1 303 . 5 1 1 A 30 30 VAL CA C 30 61.219 60.211 1.008 1
1 304 . 5 1 1 A 30 30 VAL CB C 30 32.925 34.622 -1.697 1
1 307 . 5 1 1 A 30 30 VAL N N 30 129.572 127.077 2.495 1
1 308 . 5 1 1 A 31 31 LYS H H 31 9.125 8.352 0.773 1
1 309 . 5 1 1 A 31 31 LYS HA H 31 5.095 4.738 0.357 1
1 318 . 5 1 1 A 31 31 LYS C C 31 175.396 174.057 1.339 1
1 319 . 5 1 1 A 31 31 LYS CA C 31 54.677 55.443 -0.766 1
1 320 . 5 1 1 A 31 31 LYS CB C 31 37.036 36.316 0.720 1
1 324 . 5 1 1 A 31 31 LYS N N 31 124.358 125.452 -1.094 1
1 325 . 5 1 1 A 32 32 PHE H H 32 9.725 9.225 0.500 1
1 326 . 5 1 1 A 32 32 PHE HA H 32 5.905 5.247 0.658 1
1 334 . 5 1 1 A 32 32 PHE C C 32 174.555 174.363 0.192 1
1 335 . 5 1 1 A 32 32 PHE CA C 32 56.224 56.284 -0.060 1
1 336 . 5 1 1 A 32 32 PHE CB C 32 41.804 41.914 -0.110 1
1 342 . 5 1 1 A 32 32 PHE N N 32 125.979 127.737 -1.758 1
1 343 . 5 1 1 A 33 33 ASP H H 33 7.884 8.241 -0.357 1
1 344 . 5 1 1 A 33 33 ASP HA H 33 4.555 4.552 0.003 1
1 347 . 5 1 1 A 33 33 ASP C C 33 175.730 175.879 -0.149 1
1 348 . 5 1 1 A 33 33 ASP CA C 33 52.602 53.554 -0.952 1
1 349 . 5 1 1 A 33 33 ASP CB C 33 41.686 41.068 0.618 1
1 350 . 5 1 1 A 33 33 ASP N N 33 126.924 128.234 -1.310 1
1 351 . 5 1 1 A 34 34 GLY H H 34 4.680 6.290 -1.610 1
1 352 . 5 1 1 A 34 34 GLY HA2 H 34 4.252 3.184 1.068 1
1 353 . 5 1 1 A 34 34 GLY HA3 H 34 3.023 3.669 -0.646 1
1 354 . 5 1 1 A 34 34 GLY C C 34 172.363 174.712 -2.349 1
1 355 . 5 1 1 A 34 34 GLY CA C 34 45.672 44.717 0.955 1
1 356 . 5 1 1 A 35 35 LEU H H 35 8.148 7.718 0.430 1
1 357 . 5 1 1 A 35 35 LEU HA H 35 4.623 4.353 0.270 1
1 367 . 5 1 1 A 35 35 LEU C C 35 177.783 176.559 1.224 1
1 368 . 5 1 1 A 35 35 LEU CA C 35 55.978 55.772 0.206 1
1 369 . 5 1 1 A 35 35 LEU CB C 35 44.352 43.603 0.749 1
1 373 . 5 1 1 A 35 35 LEU N N 35 120.632 118.954 1.678 1
1 374 . 5 1 1 A 36 36 SER H H 36 9.064 7.820 1.244 1
1 375 . 5 1 1 A 36 36 SER HA H 36 5.059 5.105 -0.046 1
1 378 . 5 1 1 A 36 36 SER C C 36 173.878 172.540 1.338 1
1 379 . 5 1 1 A 36 36 SER CA C 36 57.667 57.520 0.147 1
1 380 . 5 1 1 A 36 36 SER CB C 36 66.140 66.210 -0.070 1
1 381 . 5 1 1 A 36 36 SER N N 36 115.030 109.623 5.407 1
1 382 . 5 1 1 A 37 37 ILE H H 37 8.981 9.155 -0.174 1
1 383 . 5 1 1 A 37 37 ILE HA H 37 5.055 5.018 0.037 1
1 393 . 5 1 1 A 37 37 ILE C C 37 174.995 174.489 0.506 1
1 394 . 5 1 1 A 37 37 ILE CA C 37 61.061 60.660 0.401 1
1 395 . 5 1 1 A 37 37 ILE CB C 37 39.355 38.139 1.216 1
1 399 . 5 1 1 A 37 37 ILE N N 37 122.186 122.631 -0.445 1
1 400 . 5 1 1 A 38 38 SER H H 38 9.422 8.736 0.686 1
1 401 . 5 1 1 A 38 38 SER HA H 38 5.297 4.899 0.398 1
1 404 . 5 1 1 A 38 38 SER C C 38 172.177 173.011 -0.834 1
1 405 . 5 1 1 A 38 38 SER CA C 38 56.910 57.387 -0.477 1
1 406 . 5 1 1 A 38 38 SER CB C 38 66.018 63.921 2.097 1
1 407 . 5 1 1 A 38 38 SER N N 38 122.548 124.614 -2.066 1
1 408 . 5 1 1 A 39 39 TYR H H 39 7.649 8.571 -0.922 1
1 409 . 5 1 1 A 39 39 TYR HA H 39 6.025 6.141 -0.116 1
1 416 . 5 1 1 A 39 39 TYR C C 39 173.937 173.483 0.454 1
1 417 . 5 1 1 A 39 39 TYR CA C 39 54.144 55.261 -1.117 1
1 418 . 5 1 1 A 39 39 TYR CB C 39 41.722 41.676 0.046 1
1 423 . 5 1 1 A 39 39 TYR N N 39 116.176 123.399 -7.223 1
1 424 . 5 1 1 A 40 40 TYR H H 40 9.647 9.562 0.085 1
1 425 . 5 1 1 A 40 40 TYR HA H 40 5.044 5.236 -0.192 1
1 432 . 5 1 1 A 40 40 TYR CA C 40 56.928 56.841 0.087 1
1 433 . 5 1 1 A 40 40 TYR CB C 40 43.678 42.953 0.725 1
1 438 . 5 1 1 A 40 40 TYR N N 40 118.964 120.942 -1.978 1
1 439 . 5 1 1 A 41 41 ASN H H 41 7.712 9.178 -1.466 1
1 440 . 5 1 1 A 41 41 ASN HA H 41 4.867 5.496 -0.629 1
1 445 . 5 1 1 A 41 41 ASN CB C 41 39.279 40.559 -1.280 1
1 446 . 5 1 1 A 41 41 ASN N N 41 109.731 119.401 -9.670 1
1 448 . 5 1 1 A 42 42 ASN H H 42 9.215 8.950 0.265 1
1 449 . 5 1 1 A 42 42 ASN HA H 42 4.868 4.764 0.104 1
1 452 . 5 1 1 A 42 42 ASN CA C 42 52.812 54.138 -1.326 1
1 453 . 5 1 1 A 42 42 ASN CB C 42 39.180 38.316 0.864 1
1 458 . 5 1 1 A 44 44 LYS CB C 44 35.364 30.920 4.444 1
1 460 . 5 1 1 A 46 46 MET H H 46 8.285 8.714 -0.429 1
1 461 . 5 1 1 A 46 46 MET HA H 46 4.218 5.092 -0.874 1
1 466 . 5 1 1 A 46 46 MET CA C 46 56.523 54.117 2.406 1
1 467 . 5 1 1 A 46 46 MET CB C 46 33.665 32.754 0.911 1
1 469 . 5 1 1 A 47 47 TYR H H 47 7.965 8.879 -0.914 1
1 470 . 5 1 1 A 47 47 TYR HA H 47 4.935 5.029 -0.094 1
1 477 . 5 1 1 A 47 47 TYR CA C 47 55.861 56.632 -0.771 1
1 478 . 5 1 1 A 47 47 TYR CB C 47 38.476 41.860 -3.384 1
1 483 . 5 1 1 A 47 47 TYR N N 47 117.521 122.356 -4.835 1
1 484 . 5 1 1 A 49 49 LYS H H 49 8.704 8.625 0.079 1
1 485 . 5 1 1 A 49 49 LYS HA H 49 4.369 4.776 -0.407 1
1 494 . 5 1 1 A 49 49 LYS CA C 49 54.891 55.429 -0.538 1
1 495 . 5 1 1 A 49 49 LYS CB C 49 32.501 35.409 -2.908 1
1 499 . 5 1 1 A 50 50 GLY H H 50 6.985 8.323 -1.338 1
1 500 . 5 1 1 A 50 50 GLY HA2 H 50 3.825 3.288 0.537 1
1 501 . 5 1 1 A 50 50 GLY HA3 H 50 3.265 3.927 -0.662 1
1 502 . 5 1 1 A 50 50 GLY C C 50 170.241 171.920 -1.679 1
1 503 . 5 1 1 A 50 50 GLY CA C 50 45.039 44.709 0.330 1
1 504 . 5 1 1 A 50 50 GLY N N 50 108.097 111.539 -3.442 1
1 505 . 5 1 1 A 51 51 ILE H H 51 7.890 8.679 -0.789 1
1 506 . 5 1 1 A 51 51 ILE HA H 51 4.777 5.033 -0.256 1
1 516 . 5 1 1 A 51 51 ILE C C 51 175.026 173.130 1.896 1
1 517 . 5 1 1 A 51 51 ILE CA C 51 60.217 58.759 1.458 1
1 518 . 5 1 1 A 51 51 ILE CB C 51 42.388 42.204 0.184 1
1 522 . 5 1 1 A 51 51 ILE N N 51 117.769 124.722 -6.953 1
1 523 . 5 1 1 A 52 52 ILE H H 52 9.485 9.049 0.436 1
1 524 . 5 1 1 A 52 52 ILE HA H 52 4.533 4.669 -0.136 1
1 534 . 5 1 1 A 52 52 ILE C C 52 173.526 174.628 -1.102 1
1 535 . 5 1 1 A 52 52 ILE CA C 52 57.983 57.608 0.375 1
1 536 . 5 1 1 A 52 52 ILE CB C 52 40.324 39.475 0.849 1
1 540 . 5 1 1 A 52 52 ILE N N 52 127.899 128.157 -0.258 1
1 541 . 5 1 1 A 53 53 PRO HA H 53 4.501 4.735 -0.234 1
1 548 . 5 1 1 A 53 53 PRO C C 53 177.663 178.071 -0.408 1
1 549 . 5 1 1 A 53 53 PRO CA C 53 62.838 63.017 -0.179 1
1 550 . 5 1 1 A 53 53 PRO CB C 53 31.939 31.813 0.126 1
1 553 . 5 1 1 A 54 54 LEU H H 54 8.647 8.818 -0.171 1
1 554 . 5 1 1 A 54 54 LEU HA H 54 3.985 4.232 -0.247 1
1 564 . 5 1 1 A 54 54 LEU C C 54 178.940 178.127 0.813 1
1 565 . 5 1 1 A 54 54 LEU CA C 54 58.371 57.883 0.488 1
1 566 . 5 1 1 A 54 54 LEU CB C 54 42.388 41.674 0.714 1
1 570 . 5 1 1 A 54 54 LEU N N 54 124.847 127.147 -2.300 1
1 571 . 5 1 1 A 55 55 SER H H 55 8.278 8.401 -0.123 1
1 572 . 5 1 1 A 55 55 SER HA H 55 4.169 4.548 -0.379 1
1 575 . 5 1 1 A 55 55 SER C C 55 174.956 177.400 -2.444 1
1 576 . 5 1 1 A 55 55 SER CA C 55 59.971 61.530 -1.559 1
1 577 . 5 1 1 A 55 55 SER CB C 55 62.721 62.206 0.515 1
1 578 . 5 1 1 A 55 55 SER N N 55 109.639 114.274 -4.635 1
1 579 . 5 1 1 A 56 56 ALA H H 56 7.796 8.356 -0.560 1
1 580 . 5 1 1 A 56 56 ALA HA H 56 4.545 4.195 0.350 1
1 584 . 5 1 1 A 56 56 ALA C C 56 177.505 178.737 -1.232 1
1 585 . 5 1 1 A 56 56 ALA CA C 56 52.022 55.324 -3.302 1
1 586 . 5 1 1 A 56 56 ALA CB C 56 20.240 18.080 2.160 1
1 587 . 5 1 1 A 56 56 ALA N N 56 123.057 122.121 0.936 1
1 588 . 5 1 1 A 57 57 ILE H H 57 7.664 7.208 0.456 1
1 589 . 5 1 1 A 57 57 ILE HA H 57 4.035 4.463 -0.428 1
1 599 . 5 1 1 A 57 57 ILE C C 57 175.285 176.218 -0.933 1
1 600 . 5 1 1 A 57 57 ILE CA C 57 62.697 62.459 0.238 1
1 601 . 5 1 1 A 57 57 ILE CB C 57 38.474 37.621 0.853 1
1 605 . 5 1 1 A 57 57 ILE N N 57 119.512 118.601 0.911 1
1 606 . 5 1 1 A 58 58 SER H H 58 9.364 9.286 0.078 1
1 607 . 5 1 1 A 58 58 SER HA H 58 4.526 4.594 -0.068 1
1 610 . 5 1 1 A 58 58 SER C C 58 175.125 174.327 0.798 1
1 611 . 5 1 1 A 58 58 SER CA C 58 59.215 59.815 -0.600 1
1 612 . 5 1 1 A 58 58 SER CB C 58 63.590 64.559 -0.969 1
1 613 . 5 1 1 A 58 58 SER N N 58 122.513 122.687 -0.174 1
1 614 . 5 1 1 A 59 59 THR H H 59 7.502 7.521 -0.019 1
1 615 . 5 1 1 A 59 59 THR HA H 59 4.355 4.586 -0.231 1
1 620 . 5 1 1 A 59 59 THR C C 59 170.784 171.907 -1.123 1
1 621 . 5 1 1 A 59 59 THR CA C 59 61.132 61.334 -0.202 1
1 622 . 5 1 1 A 59 59 THR CB C 59 68.686 71.000 -2.314 1
1 624 . 5 1 1 A 59 59 THR N N 59 112.470 111.782 0.688 1
1 625 . 5 1 1 A 60 60 VAL H H 60 7.766 8.466 -0.700 1
1 626 . 5 1 1 A 60 60 VAL HA H 60 5.326 5.161 0.165 1
1 634 . 5 1 1 A 60 60 VAL C C 60 174.166 174.339 -0.173 1
1 635 . 5 1 1 A 60 60 VAL CA C 60 60.410 60.381 0.029 1
1 636 . 5 1 1 A 60 60 VAL CB C 60 34.979 34.913 0.066 1
1 639 . 5 1 1 A 60 60 VAL N N 60 121.276 125.702 -4.426 1
1 640 . 5 1 1 A 61 61 ARG H H 61 8.941 8.781 0.160 1
1 641 . 5 1 1 A 61 61 ARG HA H 61 5.053 4.984 0.069 1
1 648 . 5 1 1 A 61 61 ARG C C 61 175.460 175.047 0.413 1
1 649 . 5 1 1 A 61 61 ARG CA C 61 54.166 54.491 -0.325 1
1 650 . 5 1 1 A 61 61 ARG CB C 61 34.000 33.825 0.175 1
1 653 . 5 1 1 A 61 61 ARG N N 61 121.101 123.747 -2.646 1
1 654 . 5 1 1 A 62 62 VAL H H 62 8.627 8.571 0.056 1
1 655 . 5 1 1 A 62 62 VAL HA H 62 4.195 4.547 -0.352 1
1 663 . 5 1 1 A 62 62 VAL C C 62 175.216 174.638 0.578 1
1 664 . 5 1 1 A 62 62 VAL CA C 62 62.926 61.634 1.292 1
1 665 . 5 1 1 A 62 62 VAL CB C 62 33.459 32.978 0.481 1
1 668 . 5 1 1 A 62 62 VAL N N 62 118.451 118.546 -0.095 1
1 669 . 5 1 1 A 63 63 GLN H H 63 7.628 8.778 -1.150 1
1 670 . 5 1 1 A 63 63 GLN HA H 63 4.575 4.981 -0.406 1
1 677 . 5 1 1 A 63 63 GLN C C 63 174.418 176.931 -2.513 1
1 678 . 5 1 1 A 63 63 GLN CA C 63 55.451 54.263 1.188 1
1 679 . 5 1 1 A 63 63 GLN CB C 63 32.062 31.985 0.077 1
1 681 . 5 1 1 A 63 63 GLN N N 63 123.160 122.580 0.580 1
1 683 . 5 1 1 A 64 64 GLY H H 64 8.678 8.809 -0.131 1
1 684 . 5 1 1 A 64 64 GLY HA2 H 64 4.025 3.871 0.154 1
1 685 . 5 1 1 A 64 64 GLY HA3 H 64 3.895 3.875 0.020 1
1 686 . 5 1 1 A 64 64 GLY C C 64 174.592 173.936 0.656 1
1 687 . 5 1 1 A 64 64 GLY CA C 64 45.531 45.751 -0.220 1
1 688 . 5 1 1 A 64 64 GLY N N 64 112.406 111.706 0.700 1
1 689 . 5 1 1 A 65 65 ASP HA H 65 4.625 5.006 -0.381 1
1 692 . 5 1 1 A 65 65 ASP C C 65 176.902 175.369 1.533 1
1 693 . 5 1 1 A 65 65 ASP CA C 65 55.486 52.705 2.781 1
1 694 . 5 1 1 A 65 65 ASP CB C 65 40.817 41.530 -0.713 1
1 695 . 5 1 1 A 66 66 ASN H H 66 7.979 8.292 -0.313 1
1 696 . 5 1 1 A 66 66 ASN HA H 66 4.554 4.307 0.247 1
1 701 . 5 1 1 A 66 66 ASN C C 66 174.456 174.073 0.383 1
1 702 . 5 1 1 A 66 66 ASN CA C 66 52.795 54.413 -1.618 1
1 703 . 5 1 1 A 66 66 ASN CB C 66 37.981 37.064 0.917 1
1 704 . 5 1 1 A 66 66 ASN N N 66 112.071 114.955 -2.884 1
1 706 . 5 1 1 A 67 67 LYS H H 67 7.476 7.471 0.005 1
1 707 . 5 1 1 A 67 67 LYS HA H 67 5.914 5.265 0.649 1
1 716 . 5 1 1 A 67 67 LYS C C 67 177.922 175.524 2.398 1
1 717 . 5 1 1 A 67 67 LYS CA C 67 54.906 54.331 0.575 1
1 718 . 5 1 1 A 67 67 LYS CB C 67 36.707 36.759 -0.052 1
1 722 . 5 1 1 A 67 67 LYS N N 67 115.613 117.317 -1.704 1
1 723 . 5 1 1 A 68 68 PHE H H 68 9.227 8.408 0.819 1
1 724 . 5 1 1 A 68 68 PHE HA H 68 5.296 5.230 0.066 1
1 732 . 5 1 1 A 68 68 PHE C C 68 171.230 172.136 -0.906 1
1 733 . 5 1 1 A 68 68 PHE CA C 68 56.576 56.104 0.472 1
1 734 . 5 1 1 A 68 68 PHE CB C 68 42.790 42.119 0.671 1
1 740 . 5 1 1 A 68 68 PHE N N 68 117.009 117.213 -0.204 1
1 741 . 5 1 1 A 69 69 GLU H H 69 9.527 8.974 0.553 1
1 742 . 5 1 1 A 69 69 GLU HA H 69 5.434 4.901 0.533 1
1 747 . 5 1 1 A 69 69 GLU C C 69 175.659 175.174 0.485 1
1 748 . 5 1 1 A 69 69 GLU CA C 69 53.429 55.270 -1.841 1
1 749 . 5 1 1 A 69 69 GLU CB C 69 33.460 31.590 1.870 1
1 751 . 5 1 1 A 69 69 GLU N N 69 119.470 121.509 -2.039 1
1 752 . 5 1 1 A 70 70 VAL H H 70 9.486 8.830 0.656 1
1 753 . 5 1 1 A 70 70 VAL HA H 70 4.486 4.662 -0.176 1
1 761 . 5 1 1 A 70 70 VAL C C 70 174.403 175.288 -0.885 1
1 762 . 5 1 1 A 70 70 VAL CA C 70 62.240 61.303 0.937 1
1 763 . 5 1 1 A 70 70 VAL CB C 70 33.706 33.204 0.502 1
1 766 . 5 1 1 A 70 70 VAL N N 70 123.935 126.292 -2.357 1
1 767 . 5 1 1 A 71 71 VAL H H 71 8.658 8.680 -0.022 1
1 768 . 5 1 1 A 71 71 VAL HA H 71 4.345 4.280 0.065 1
1 776 . 5 1 1 A 71 71 VAL C C 71 175.524 175.720 -0.196 1
1 777 . 5 1 1 A 71 71 VAL CA C 71 63.365 63.341 0.024 1
1 778 . 5 1 1 A 71 71 VAL CB C 71 32.802 31.285 1.517 1
1 781 . 5 1 1 A 71 71 VAL N N 71 129.195 128.261 0.934 1
1 782 . 5 1 1 A 72 72 THR H H 72 8.134 8.135 -0.001 1
1 783 . 5 1 1 A 72 72 THR HA H 72 5.515 5.465 0.050 1
1 788 . 5 1 1 A 72 72 THR C C 72 174.609 175.475 -0.866 1
1 789 . 5 1 1 A 72 72 THR CA C 72 59.496 59.132 0.364 1
1 790 . 5 1 1 A 72 72 THR CB C 72 72.139 72.312 -0.173 1
1 792 . 5 1 1 A 72 72 THR N N 72 117.639 117.424 0.215 1
1 793 . 5 1 1 A 73 73 THR H H 73 8.944 9.145 -0.201 1
1 794 . 5 1 1 A 73 73 THR HA H 73 3.966 3.924 0.042 1
1 799 . 5 1 1 A 73 73 THR C C 73 175.783 175.898 -0.115 1
1 800 . 5 1 1 A 73 73 THR CA C 73 65.880 66.847 -0.967 1
1 801 . 5 1 1 A 73 73 THR CB C 73 68.604 69.071 -0.467 1
1 803 . 5 1 1 A 73 73 THR N N 73 114.027 118.175 -4.148 1
1 804 . 5 1 1 A 74 74 GLN H H 74 7.997 7.906 0.091 1
1 805 . 5 1 1 A 74 74 GLN HA H 74 4.350 4.071 0.279 1
1 812 . 5 1 1 A 74 74 GLN C C 74 175.698 176.014 -0.316 1
1 813 . 5 1 1 A 74 74 GLN CA C 74 56.910 59.067 -2.157 1
1 814 . 5 1 1 A 74 74 GLN CB C 74 30.624 28.814 1.810 1
1 816 . 5 1 1 A 74 74 GLN N N 74 115.670 118.197 -2.527 1
1 818 . 5 1 1 A 75 75 ARG H H 75 7.366 7.459 -0.093 1
1 819 . 5 1 1 A 75 75 ARG HA H 75 4.395 4.458 -0.063 1
1 826 . 5 1 1 A 75 75 ARG C C 75 174.546 174.487 0.059 1
1 827 . 5 1 1 A 75 75 ARG CA C 75 55.802 54.827 0.975 1
1 828 . 5 1 1 A 75 75 ARG CB C 75 32.514 32.453 0.061 1
1 831 . 5 1 1 A 75 75 ARG N N 75 115.650 112.899 2.751 1
1 832 . 5 1 1 A 76 76 THR H H 76 8.679 8.253 0.426 1
1 833 . 5 1 1 A 76 76 THR HA H 76 5.065 4.202 0.863 1
1 838 . 5 1 1 A 76 76 THR C C 76 173.239 174.043 -0.804 1
1 839 . 5 1 1 A 76 76 THR CA C 76 61.888 63.546 -1.658 1
1 840 . 5 1 1 A 76 76 THR CB C 76 69.878 69.219 0.659 1
1 842 . 5 1 1 A 76 76 THR N N 76 120.285 116.111 4.174 1
1 843 . 5 1 1 A 77 77 PHE H H 77 9.156 9.209 -0.053 1
1 844 . 5 1 1 A 77 77 PHE HA H 77 4.385 5.116 -0.731 1
1 852 . 5 1 1 A 77 77 PHE C C 77 174.028 174.983 -0.955 1
1 853 . 5 1 1 A 77 77 PHE CA C 77 56.822 55.930 0.892 1
1 854 . 5 1 1 A 77 77 PHE CB C 77 41.640 43.127 -1.487 1
1 860 . 5 1 1 A 77 77 PHE N N 77 127.212 126.186 1.026 1
1 861 . 5 1 1 A 78 78 VAL H H 78 8.374 8.457 -0.083 1
1 862 . 5 1 1 A 78 78 VAL HA H 78 4.506 4.417 0.089 1
1 870 . 5 1 1 A 78 78 VAL C C 78 173.264 174.270 -1.006 1
1 871 . 5 1 1 A 78 78 VAL CA C 78 61.730 61.589 0.141 1
1 872 . 5 1 1 A 78 78 VAL CB C 78 33.254 34.578 -1.324 1
1 875 . 5 1 1 A 78 78 VAL N N 78 123.393 119.646 3.747 1
1 876 . 5 1 1 A 79 79 PHE H H 79 8.458 8.191 0.267 1
1 877 . 5 1 1 A 79 79 PHE HA H 79 5.403 4.988 0.415 1
1 885 . 5 1 1 A 79 79 PHE C C 79 173.855 174.176 -0.321 1
1 886 . 5 1 1 A 79 79 PHE CA C 79 55.151 56.366 -1.215 1
1 887 . 5 1 1 A 79 79 PHE CB C 79 42.913 42.344 0.569 1
1 893 . 5 1 1 A 79 79 PHE N N 79 123.801 125.787 -1.986 1
1 894 . 5 1 1 A 80 80 ARG H H 80 9.407 8.515 0.892 1
1 895 . 5 1 1 A 80 80 ARG HA H 80 5.134 4.959 0.175 1
1 902 . 5 1 1 A 80 80 ARG C C 80 174.634 174.472 0.162 1
1 903 . 5 1 1 A 80 80 ARG CA C 80 54.431 54.806 -0.375 1
1 904 . 5 1 1 A 80 80 ARG CB C 80 35.227 34.142 1.085 1
1 907 . 5 1 1 A 80 80 ARG N N 80 121.570 120.686 0.884 1
1 908 . 5 1 1 A 81 81 VAL H H 81 8.544 8.324 0.220 1
1 909 . 5 1 1 A 81 81 VAL HA H 81 4.708 4.898 -0.190 1
1 917 . 5 1 1 A 81 81 VAL C C 81 175.050 175.660 -0.610 1
1 918 . 5 1 1 A 81 81 VAL CA C 81 59.602 59.094 0.508 1
1 919 . 5 1 1 A 81 81 VAL CB C 81 33.706 34.754 -1.048 1
1 922 . 5 1 1 A 81 81 VAL N N 81 122.128 118.998 3.130 1
1 923 . 5 1 1 A 82 82 GLU H H 82 8.549 8.960 -0.411 1
1 924 . 5 1 1 A 82 82 GLU HA H 82 4.132 4.563 -0.431 1
1 929 . 5 1 1 A 82 82 GLU C C 82 176.909 176.557 0.352 1
1 930 . 5 1 1 A 82 82 GLU CA C 82 58.973 58.089 0.884 1
1 931 . 5 1 1 A 82 82 GLU CB C 82 30.582 31.589 -1.007 1
1 933 . 5 1 1 A 82 82 GLU N N 82 121.776 120.118 1.658 1
1 934 . 5 1 1 A 83 83 LYS H H 83 7.618 7.495 0.123 1
1 935 . 5 1 1 A 83 83 LYS HA H 83 4.708 4.711 -0.003 1
1 944 . 5 1 1 A 83 83 LYS C C 83 176.665 176.509 0.156 1
1 945 . 5 1 1 A 83 83 LYS CA C 83 54.694 54.738 -0.044 1
1 946 . 5 1 1 A 83 83 LYS CB C 83 34.775 35.421 -0.646 1
1 950 . 5 1 1 A 83 83 LYS N N 83 115.778 118.339 -2.561 1
1 951 . 5 1 1 A 84 84 GLU H H 84 9.150 9.084 0.066 1
1 952 . 5 1 1 A 84 84 GLU HA H 84 3.953 3.900 0.053 1
1 957 . 5 1 1 A 84 84 GLU C C 84 178.243 178.199 0.044 1
1 958 . 5 1 1 A 84 84 GLU CA C 84 60.217 60.255 -0.038 1
1 959 . 5 1 1 A 84 84 GLU CB C 84 29.843 29.513 0.330 1
1 961 . 5 1 1 A 84 84 GLU N N 84 127.798 124.614 3.184 1
1 962 . 5 1 1 A 85 85 GLU H H 85 9.626 8.394 1.232 1
1 963 . 5 1 1 A 85 85 GLU HA H 85 4.100 4.003 0.097 1
1 968 . 5 1 1 A 85 85 GLU C C 85 178.948 179.278 -0.330 1
1 969 . 5 1 1 A 85 85 GLU CA C 85 59.847 59.322 0.525 1
1 970 . 5 1 1 A 85 85 GLU CB C 85 28.897 29.330 -0.433 1
1 972 . 5 1 1 A 85 85 GLU N N 85 117.844 118.022 -0.178 1
1 973 . 5 1 1 A 86 86 GLU H H 86 7.257 8.409 -1.152 1
1 974 . 5 1 1 A 86 86 GLU HA H 86 4.365 4.002 0.363 1
1 979 . 5 1 1 A 86 86 GLU C C 86 178.607 179.266 -0.659 1
1 980 . 5 1 1 A 86 86 GLU CA C 86 58.089 59.161 -1.072 1
1 981 . 5 1 1 A 86 86 GLU CB C 86 30.212 29.547 0.665 1
1 983 . 5 1 1 A 86 86 GLU N N 86 118.075 120.265 -2.190 1
1 984 . 5 1 1 A 87 87 ARG H H 87 7.919 7.553 0.366 1
1 985 . 5 1 1 A 87 87 ARG HA H 87 3.838 3.900 -0.062 1
1 992 . 5 1 1 A 87 87 ARG C C 87 177.977 178.004 -0.027 1
1 993 . 5 1 1 A 87 87 ARG CA C 87 60.815 59.264 1.551 1
1 994 . 5 1 1 A 87 87 ARG CB C 87 28.856 29.959 -1.103 1
1 997 . 5 1 1 A 87 87 ARG N N 87 121.287 120.688 0.599 1
1 998 . 5 1 1 A 88 88 ASN H H 88 8.421 8.200 0.221 1
1 999 . 5 1 1 A 88 88 ASN HA H 88 4.295 4.402 -0.107 1
1 1004 . 5 1 1 A 88 88 ASN C C 88 177.423 177.127 0.296 1
1 1005 . 5 1 1 A 88 88 ASN CA C 88 55.627 56.160 -0.533 1
1 1006 . 5 1 1 A 88 88 ASN CB C 88 37.136 37.774 -0.638 1
1 1007 . 5 1 1 A 88 88 ASN N N 88 116.926 115.313 1.613 1
1 1009 . 5 1 1 A 89 89 ASP H H 89 7.790 8.319 -0.529 1
1 1010 . 5 1 1 A 89 89 ASP HA H 89 4.389 4.176 0.213 1
1 1013 . 5 1 1 A 89 89 ASP C C 89 177.683 178.389 -0.706 1
1 1014 . 5 1 1 A 89 89 ASP CA C 89 57.737 57.189 0.548 1
1 1015 . 5 1 1 A 89 89 ASP CB C 89 41.352 41.527 -0.175 1
1 1016 . 5 1 1 A 89 89 ASP N N 89 121.867 119.455 2.412 1
1 1017 . 5 1 1 A 90 90 TRP H H 90 7.690 8.318 -0.628 1
1 1018 . 5 1 1 A 90 90 TRP HA H 90 3.666 4.198 -0.532 1
1 1027 . 5 1 1 A 90 90 TRP C C 90 177.880 178.466 -0.586 1
1 1028 . 5 1 1 A 90 90 TRP CA C 90 61.704 59.691 2.013 1
1 1029 . 5 1 1 A 90 90 TRP CB C 90 29.594 29.160 0.434 1
1 1035 . 5 1 1 A 90 90 TRP N N 90 117.617 119.926 -2.309 1
1 1037 . 5 1 1 A 91 91 ILE H H 91 7.654 7.846 -0.192 1
1 1038 . 5 1 1 A 91 91 ILE HA H 91 3.275 3.633 -0.358 1
1 1048 . 5 1 1 A 91 91 ILE C C 91 177.138 177.887 -0.749 1
1 1049 . 5 1 1 A 91 91 ILE CA C 91 65.001 65.344 -0.343 1
1 1050 . 5 1 1 A 91 91 ILE CB C 91 36.913 37.569 -0.656 1
1 1054 . 5 1 1 A 91 91 ILE N N 91 114.248 120.272 -6.024 1
1 1055 . 5 1 1 A 92 92 SER H H 92 8.055 8.344 -0.289 1
1 1056 . 5 1 1 A 92 92 SER HA H 92 4.045 4.049 -0.004 1
1 1059 . 5 1 1 A 92 92 SER C C 92 177.204 176.261 0.943 1
1 1060 . 5 1 1 A 92 92 SER CA C 92 61.923 62.483 -0.560 1
1 1061 . 5 1 1 A 92 92 SER CB C 92 62.767 62.830 -0.063 1
1 1062 . 5 1 1 A 92 92 SER N N 92 114.018 115.590 -1.572 1
1 1063 . 5 1 1 A 93 93 ILE H H 93 7.926 7.784 0.142 1
1 1064 . 5 1 1 A 93 93 ILE HA H 93 3.795 3.731 0.064 1
1 1074 . 5 1 1 A 93 93 ILE C C 93 178.947 178.603 0.344 1
1 1075 . 5 1 1 A 93 93 ILE CA C 93 64.825 64.446 0.379 1
1 1076 . 5 1 1 A 93 93 ILE CB C 93 37.693 37.588 0.105 1
1 1080 . 5 1 1 A 93 93 ILE N N 93 120.974 121.261 -0.287 1
1 1081 . 5 1 1 A 94 94 LEU H H 94 7.678 8.177 -0.499 1
1 1082 . 5 1 1 A 94 94 LEU HA H 94 3.634 3.891 -0.257 1
1 1092 . 5 1 1 A 94 94 LEU C C 94 178.551 179.251 -0.700 1
1 1093 . 5 1 1 A 94 94 LEU CA C 94 57.861 57.847 0.014 1
1 1094 . 5 1 1 A 94 94 LEU CB C 94 42.356 41.669 0.687 1
1 1098 . 5 1 1 A 94 94 LEU N N 94 121.223 120.609 0.614 1
1 1099 . 5 1 1 A 95 95 LEU H H 95 8.954 8.438 0.516 1
1 1100 . 5 1 1 A 95 95 LEU HA H 95 4.037 3.887 0.150 1
1 1110 . 5 1 1 A 95 95 LEU C C 95 180.858 178.993 1.865 1
1 1111 . 5 1 1 A 95 95 LEU CA C 95 58.194 57.985 0.209 1
1 1112 . 5 1 1 A 95 95 LEU CB C 95 41.286 41.251 0.035 1
1 1116 . 5 1 1 A 95 95 LEU N N 95 118.177 118.196 -0.019 1
1 1117 . 5 1 1 A 96 96 ASN H H 96 8.235 8.208 0.027 1
1 1118 . 5 1 1 A 96 96 ASN HA H 96 4.445 4.399 0.046 1
1 1123 . 5 1 1 A 96 96 ASN C C 96 177.901 177.267 0.634 1
1 1124 . 5 1 1 A 96 96 ASN CA C 96 56.347 56.980 -0.633 1
1 1125 . 5 1 1 A 96 96 ASN CB C 96 38.105 39.746 -1.641 1
1 1126 . 5 1 1 A 96 96 ASN N N 96 117.502 117.333 0.169 1
1 1128 . 5 1 1 A 97 97 ALA H H 97 7.756 7.614 0.142 1
1 1129 . 5 1 1 A 97 97 ALA HA H 97 4.305 4.134 0.171 1
1 1133 . 5 1 1 A 97 97 ALA C C 97 180.315 179.854 0.461 1
1 1134 . 5 1 1 A 97 97 ALA CA C 97 54.906 54.986 -0.080 1
1 1135 . 5 1 1 A 97 97 ALA CB C 97 19.214 18.255 0.959 1
1 1136 . 5 1 1 A 97 97 ALA N N 97 123.457 121.976 1.481 1
1 1137 . 5 1 1 A 98 98 LEU H H 98 8.335 8.583 -0.248 1
1 1138 . 5 1 1 A 98 98 LEU HA H 98 4.055 3.940 0.115 1
1 1148 . 5 1 1 A 98 98 LEU C C 98 179.542 179.283 0.259 1
1 1149 . 5 1 1 A 98 98 LEU CA C 98 57.578 58.142 -0.564 1
1 1150 . 5 1 1 A 98 98 LEU CB C 98 42.174 41.380 0.794 1
1 1154 . 5 1 1 A 98 98 LEU N N 98 119.610 118.988 0.622 1
1 1155 . 5 1 1 A 99 99 LYS H H 99 7.969 8.150 -0.181 1
1 1156 . 5 1 1 A 99 99 LYS HA H 99 4.203 4.016 0.187 1
1 1165 . 5 1 1 A 99 99 LYS C C 99 178.392 178.867 -0.475 1
1 1166 . 5 1 1 A 99 99 LYS CA C 99 58.563 59.033 -0.470 1
1 1167 . 5 1 1 A 99 99 LYS CB C 99 32.267 32.260 0.007 1
1 1171 . 5 1 1 A 99 99 LYS N N 99 119.323 117.695 1.628 1
1 1172 . 5 1 1 A 100 100 SER H H 100 7.854 8.012 -0.158 1
1 1173 . 5 1 1 A 100 100 SER HA H 100 4.404 4.225 0.179 1
1 1176 . 5 1 1 A 100 100 SER C C 100 175.449 176.800 -1.351 1
1 1177 . 5 1 1 A 100 100 SER CA C 100 60.076 61.335 -1.259 1
1 1178 . 5 1 1 A 100 100 SER CB C 100 63.600 62.880 0.720 1
1 1179 . 5 1 1 A 100 100 SER N N 100 114.116 115.509 -1.393 1
1 1180 . 5 1 1 A 101 101 GLN H H 101 7.863 8.021 -0.158 1
1 1181 . 5 1 1 A 101 101 GLN HA H 101 4.294 4.250 0.044 1
1 1188 . 5 1 1 A 101 101 GLN C C 101 176.613 175.802 0.811 1
1 1189 . 5 1 1 A 101 101 GLN CA C 101 57.121 57.000 0.121 1
1 1190 . 5 1 1 A 101 101 GLN CB C 101 29.761 27.448 2.313 1
1 1192 . 5 1 1 A 101 101 GLN N N 101 120.923 117.619 3.304 1
1 1194 . 5 1 1 A 102 102 SER H H 102 8.170 7.513 0.657 1
1 1195 . 5 1 1 A 102 102 SER HA H 102 4.445 4.709 -0.264 1
1 1198 . 5 1 1 A 102 102 SER C C 102 175.030 173.516 1.514 1
1 1199 . 5 1 1 A 102 102 SER CA C 102 59.162 58.192 0.970 1
1 1200 . 5 1 1 A 102 102 SER CB C 102 63.466 62.513 0.953 1
1 1201 . 5 1 1 A 102 102 SER N N 102 115.689 117.169 -1.480 1
1 1202 . 5 1 1 A 103 103 LEU H H 103 8.111 8.563 -0.452 1
1 1203 . 5 1 1 A 103 103 LEU HA H 103 4.400 4.744 -0.344 1
1 1213 . 5 1 1 A 103 103 LEU C C 103 178.263 176.777 1.486 1
1 1214 . 5 1 1 A 103 103 LEU CA C 103 55.908 53.167 2.741 1
1 1215 . 5 1 1 A 103 103 LEU CB C 103 42.215 45.349 -3.134 1
1 1219 . 5 1 1 A 103 103 LEU N N 103 123.252 126.506 -3.254 1
1 1220 . 5 1 1 A 104 104 THR H H 104 8.064 8.880 -0.816 1
1 1221 . 5 1 1 A 104 104 THR HA H 104 4.354 3.990 0.364 1
1 1226 . 5 1 1 A 104 104 THR C C 104 175.092 173.854 1.238 1
1 1227 . 5 1 1 A 104 104 THR CA C 104 62.368 62.887 -0.519 1
1 1228 . 5 1 1 A 104 104 THR CB C 104 69.673 67.271 2.402 1
1 1230 . 5 1 1 A 104 104 THR N N 104 113.441 117.016 -3.575 1
1 1231 . 5 1 1 A 105 105 SER H H 105 8.231 7.769 0.462 1
1 1232 . 5 1 1 A 105 105 SER C C 105 177.959 173.930 4.029 1
1 1233 . 5 1 1 A 105 105 SER CA C 105 58.406 56.187 2.219 1
1 1234 . 5 1 1 A 105 105 SER CB C 105 63.507 65.478 -1.971 1
1 1235 . 5 1 1 A 105 105 SER N N 105 117.638 116.647 0.991 1
1 1236 . 5 1 1 A 106 106 GLN HA H 106 4.365 4.463 -0.098 1
1 1239 . 5 1 1 A 106 106 GLN C C 106 176.322 174.446 1.876 1
1 1240 . 5 1 1 A 106 106 GLN CA C 106 56.189 55.769 0.420 1
1 1241 . 5 1 1 A 106 106 GLN CB C 106 29.226 26.816 2.410 1
1 1243 . 5 1 1 A 107 107 SER H H 107 8.287 7.952 0.335 1
1 1244 . 5 1 1 A 107 107 SER HA H 107 4.404 4.766 -0.362 1
1 1246 . 5 1 1 A 107 107 SER C C 107 174.687 171.727 2.960 1
1 1247 . 5 1 1 A 107 107 SER CA C 107 58.722 57.192 1.530 1
1 1248 . 5 1 1 A 107 107 SER CB C 107 63.713 64.312 -0.599 1
1 1249 . 5 1 1 A 107 107 SER N N 107 116.578 117.351 -0.773 1
1 1250 . 5 1 1 A 108 108 GLN H H 108 8.354 8.577 -0.223 1
1 1251 . 5 1 1 A 108 108 GLN HA H 108 4.349 4.766 -0.417 1
1 1258 . 5 1 1 A 108 108 GLN C C 108 175.798 174.881 0.917 1
1 1259 . 5 1 1 A 108 108 GLN CA C 108 55.820 54.416 1.404 1
1 1260 . 5 1 1 A 108 108 GLN CB C 108 29.432 29.623 -0.191 1
1 1262 . 5 1 1 A 108 108 GLN N N 108 122.015 124.151 -2.136 1
1 1264 . 5 1 1 A 109 109 ALA H H 109 8.301 8.540 -0.239 1
1 1265 . 5 1 1 A 109 109 ALA HA H 109 4.345 4.841 -0.496 1
1 1269 . 5 1 1 A 109 109 ALA C C 109 177.749 176.070 1.679 1
1 1270 . 5 1 1 A 109 109 ALA CA C 109 52.672 50.679 1.993 1
1 1271 . 5 1 1 A 109 109 ALA CB C 109 19.237 20.332 -1.095 1
1 1272 . 5 1 1 A 109 109 ALA N N 109 125.243 129.684 -4.441 1
1 1273 . 5 1 1 A 110 110 SER H H 110 8.290 8.605 -0.315 1
1 1274 . 5 1 1 A 110 110 SER HA H 110 4.459 4.410 0.049 1
1 1277 . 5 1 1 A 110 110 SER C C 110 174.593 174.753 -0.160 1
1 1278 . 5 1 1 A 110 110 SER CA C 110 58.248 60.128 -1.880 1
1 1279 . 5 1 1 A 110 110 SER CB C 110 63.918 63.615 0.303 1
1 1280 . 5 1 1 A 110 110 SER N N 110 115.148 118.833 -3.685 1
1 1281 . 5 1 1 A 111 111 GLY H H 111 8.199 8.828 -0.629 1
1 1282 . 5 1 1 A 111 111 GLY HA2 H 111 4.167 4.241 -0.074 1
1 1283 . 5 1 1 A 111 111 GLY HA3 H 111 4.094 4.242 -0.148 1
1 1284 . 5 1 1 A 111 111 GLY C C 111 171.782 173.138 -1.356 1
1 1285 . 5 1 1 A 111 111 GLY CA C 111 44.652 43.951 0.701 1
1 1286 . 5 1 1 A 111 111 GLY N N 111 110.586 114.241 -3.655 1
1 1287 . 5 1 1 A 112 112 PRO HA H 112 4.471 4.467 0.004 1
1 1294 . 5 1 1 A 112 112 PRO CA C 112 63.154 62.889 0.265 1
1 1295 . 5 1 1 A 112 112 PRO CB C 112 32.314 31.944 0.370 1
1 1 . 6 1 1 A 7 7 GLY H H 7 9.055 8.784 0.271 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.908 3.911 -0.003 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 3.968 3.917 0.051 1
1 4 . 6 1 1 A 7 7 GLY C C 7 173.671 175.350 -1.679 1
1 5 . 6 1 1 A 7 7 GLY CA C 7 45.421 46.620 -1.199 1
1 6 . 6 1 1 A 8 8 LYS H H 8 8.145 8.118 0.027 1
1 7 . 6 1 1 A 8 8 LYS HA H 8 4.345 4.294 0.051 1
1 16 . 6 1 1 A 8 8 LYS C C 8 175.255 175.862 -0.607 1
1 17 . 6 1 1 A 8 8 LYS CA C 8 56.330 56.416 -0.086 1
1 18 . 6 1 1 A 8 8 LYS CB C 8 33.583 32.837 0.746 1
1 22 . 6 1 1 A 8 8 LYS N N 8 120.101 117.373 2.728 1
1 23 . 6 1 1 A 9 9 VAL H H 9 7.579 7.491 0.088 1
1 24 . 6 1 1 A 9 9 VAL HA H 9 4.473 5.017 -0.544 1
1 32 . 6 1 1 A 9 9 VAL C C 9 174.860 174.395 0.465 1
1 33 . 6 1 1 A 9 9 VAL CA C 9 59.989 58.377 1.612 1
1 34 . 6 1 1 A 9 9 VAL CB C 9 34.218 36.363 -2.145 1
1 37 . 6 1 1 A 9 9 VAL N N 9 114.437 114.885 -0.448 1
1 38 . 6 1 1 A 10 10 LYS H H 10 8.236 8.653 -0.417 1
1 39 . 6 1 1 A 10 10 LYS HA H 10 4.345 4.596 -0.251 1
1 48 . 6 1 1 A 10 10 LYS C C 10 172.963 174.313 -1.350 1
1 49 . 6 1 1 A 10 10 LYS CA C 10 56.096 55.719 0.377 1
1 50 . 6 1 1 A 10 10 LYS CB C 10 36.131 36.192 -0.061 1
1 54 . 6 1 1 A 10 10 LYS N N 10 122.938 121.738 1.200 1
1 55 . 6 1 1 A 11 11 SER H H 11 8.168 8.463 -0.295 1
1 56 . 6 1 1 A 11 11 SER HA H 11 5.669 5.348 0.321 1
1 59 . 6 1 1 A 11 11 SER C C 11 173.281 172.880 0.401 1
1 60 . 6 1 1 A 11 11 SER CA C 11 55.960 56.901 -0.941 1
1 61 . 6 1 1 A 11 11 SER CB C 11 66.326 66.530 -0.204 1
1 62 . 6 1 1 A 11 11 SER N N 11 119.068 116.463 2.605 1
1 63 . 6 1 1 A 12 12 GLY H H 12 8.248 7.802 0.446 1
1 64 . 6 1 1 A 12 12 GLY HA2 H 12 4.168 3.575 0.593 1
1 65 . 6 1 1 A 12 12 GLY HA3 H 12 3.478 4.007 -0.529 1
1 66 . 6 1 1 A 12 12 GLY C C 12 170.778 171.216 -0.438 1
1 67 . 6 1 1 A 12 12 GLY CA C 12 45.654 45.458 0.196 1
1 68 . 6 1 1 A 12 12 GLY N N 12 108.756 107.002 1.754 1
1 69 . 6 1 1 A 13 13 TRP H H 13 8.622 8.339 0.283 1
1 70 . 6 1 1 A 13 13 TRP HA H 13 5.398 4.710 0.688 1
1 79 . 6 1 1 A 13 13 TRP C C 13 177.511 176.248 1.263 1
1 80 . 6 1 1 A 13 13 TRP CA C 13 57.069 58.638 -1.569 1
1 81 . 6 1 1 A 13 13 TRP CB C 13 30.295 29.808 0.487 1
1 87 . 6 1 1 A 13 13 TRP N N 13 119.518 121.257 -1.739 1
1 89 . 6 1 1 A 14 14 LEU H H 14 9.524 8.346 1.178 1
1 90 . 6 1 1 A 14 14 LEU HA H 14 4.791 4.944 -0.153 1
1 100 . 6 1 1 A 14 14 LEU C C 14 175.381 175.863 -0.482 1
1 101 . 6 1 1 A 14 14 LEU CA C 14 54.096 53.210 0.886 1
1 102 . 6 1 1 A 14 14 LEU CB C 14 47.682 45.399 2.283 1
1 106 . 6 1 1 A 14 14 LEU N N 14 124.165 125.622 -1.457 1
1 107 . 6 1 1 A 15 15 ASP H H 15 8.335 8.281 0.054 1
1 108 . 6 1 1 A 15 15 ASP HA H 15 5.424 4.915 0.509 1
1 111 . 6 1 1 A 15 15 ASP C C 15 175.302 175.264 0.038 1
1 112 . 6 1 1 A 15 15 ASP CA C 15 53.252 54.080 -0.828 1
1 113 . 6 1 1 A 15 15 ASP CB C 15 42.420 40.588 1.832 1
1 114 . 6 1 1 A 15 15 ASP N N 15 120.275 125.046 -4.771 1
1 115 . 6 1 1 A 16 16 LYS H H 16 9.444 8.876 0.568 1
1 116 . 6 1 1 A 16 16 LYS HA H 16 4.781 4.593 0.188 1
1 125 . 6 1 1 A 16 16 LYS C C 16 176.244 175.455 0.789 1
1 126 . 6 1 1 A 16 16 LYS CA C 16 54.782 55.471 -0.689 1
1 127 . 6 1 1 A 16 16 LYS CB C 16 36.666 33.769 2.897 1
1 131 . 6 1 1 A 16 16 LYS N N 16 125.854 125.833 0.021 1
1 132 . 6 1 1 A 17 17 LEU H H 17 8.387 8.469 -0.082 1
1 133 . 6 1 1 A 17 17 LEU HA H 17 3.476 4.508 -1.032 1
1 143 . 6 1 1 A 17 17 LEU C C 17 175.840 176.310 -0.470 1
1 144 . 6 1 1 A 17 17 LEU CA C 17 55.715 53.142 2.573 1
1 145 . 6 1 1 A 17 17 LEU CB C 17 41.986 41.675 0.311 1
1 149 . 6 1 1 A 17 17 LEU N N 17 130.736 127.334 3.402 1
1 150 . 6 1 1 A 18 18 SER H H 18 8.378 8.505 -0.127 1
1 151 . 6 1 1 A 18 18 SER HA H 18 4.563 4.348 0.215 1
1 154 . 6 1 1 A 18 18 SER C C 18 172.291 174.141 -1.850 1
1 155 . 6 1 1 A 18 18 SER CA C 18 55.697 62.636 -6.939 1
1 156 . 6 1 1 A 18 18 SER CB C 18 62.885 62.625 0.260 1
1 157 . 6 1 1 A 18 18 SER N N 18 123.037 121.482 1.555 1
1 158 . 6 1 1 A 19 19 PRO HA H 19 4.414 4.718 -0.304 1
1 165 . 6 1 1 A 19 19 PRO CA C 19 63.946 62.610 1.336 1
1 166 . 6 1 1 A 19 19 PRO CB C 19 32.128 32.923 -0.795 1
1 169 . 6 1 1 A 20 20 GLN H H 20 8.085 8.560 -0.475 1
1 170 . 6 1 1 A 20 20 GLN HA H 20 4.353 5.066 -0.713 1
1 175 . 6 1 1 A 20 20 GLN CA C 20 55.533 54.513 1.020 1
1 176 . 6 1 1 A 20 20 GLN CB C 20 30.130 32.596 -2.466 1
1 178 . 6 1 1 A 20 20 GLN N N 20 119.721 121.668 -1.947 1
1 179 . 6 1 1 A 22 22 LYS H H 22 8.151 7.751 0.400 1
1 180 . 6 1 1 A 22 22 LYS HA H 22 4.165 4.435 -0.270 1
1 185 . 6 1 1 A 22 22 LYS C C 22 176.016 177.042 -1.026 1
1 186 . 6 1 1 A 22 22 LYS CA C 22 56.717 55.541 1.176 1
1 187 . 6 1 1 A 22 22 LYS CB C 22 32.303 33.771 -1.468 1
1 191 . 6 1 1 A 23 23 ARG H H 23 8.329 8.632 -0.303 1
1 192 . 6 1 1 A 23 23 ARG HA H 23 3.937 4.208 -0.271 1
1 199 . 6 1 1 A 23 23 ARG C C 23 174.937 177.015 -2.078 1
1 200 . 6 1 1 A 23 23 ARG CA C 23 56.436 58.035 -1.599 1
1 201 . 6 1 1 A 23 23 ARG CB C 23 29.144 30.912 -1.768 1
1 204 . 6 1 1 A 23 23 ARG N N 23 119.006 121.092 -2.086 1
1 205 . 6 1 1 A 24 24 MET H H 24 7.965 7.836 0.129 1
1 206 . 6 1 1 A 24 24 MET HA H 24 4.492 4.371 0.121 1
1 209 . 6 1 1 A 24 24 MET C C 24 174.737 175.961 -1.224 1
1 210 . 6 1 1 A 24 24 MET CA C 24 55.134 56.516 -1.382 1
1 211 . 6 1 1 A 24 24 MET CB C 24 33.665 32.833 0.832 1
1 213 . 6 1 1 A 24 24 MET N N 24 120.460 119.902 0.558 1
1 214 . 6 1 1 A 25 25 PHE H H 25 8.593 8.997 -0.404 1
1 215 . 6 1 1 A 25 25 PHE HA H 25 4.788 4.821 -0.033 1
1 223 . 6 1 1 A 25 25 PHE C C 25 175.712 175.619 0.093 1
1 224 . 6 1 1 A 25 25 PHE CA C 25 57.421 57.862 -0.441 1
1 225 . 6 1 1 A 25 25 PHE CB C 25 41.890 40.520 1.370 1
1 231 . 6 1 1 A 25 25 PHE N N 25 121.330 122.868 -1.538 1
1 232 . 6 1 1 A 26 26 GLN H H 26 8.758 9.097 -0.339 1
1 233 . 6 1 1 A 26 26 GLN HA H 26 4.777 4.937 -0.160 1
1 240 . 6 1 1 A 26 26 GLN C C 26 175.149 174.464 0.685 1
1 241 . 6 1 1 A 26 26 GLN CA C 26 53.991 54.608 -0.617 1
1 242 . 6 1 1 A 26 26 GLN CB C 26 32.144 31.148 0.996 1
1 244 . 6 1 1 A 26 26 GLN N N 26 119.081 119.822 -0.741 1
1 246 . 6 1 1 A 27 27 LYS H H 27 8.913 8.878 0.035 1
1 247 . 6 1 1 A 27 27 LYS HA H 27 4.933 4.783 0.150 1
1 256 . 6 1 1 A 27 27 LYS C C 27 177.786 175.512 2.274 1
1 257 . 6 1 1 A 27 27 LYS CA C 27 57.843 56.549 1.294 1
1 258 . 6 1 1 A 27 27 LYS CB C 27 32.720 33.015 -0.295 1
1 262 . 6 1 1 A 27 27 LYS N N 27 126.903 126.533 0.370 1
1 263 . 6 1 1 A 28 28 ARG H H 28 9.847 8.537 1.310 1
1 264 . 6 1 1 A 28 28 ARG HA H 28 5.236 5.249 -0.013 1
1 271 . 6 1 1 A 28 28 ARG C C 28 173.319 175.358 -2.039 1
1 272 . 6 1 1 A 28 28 ARG CA C 28 53.481 54.537 -1.056 1
1 273 . 6 1 1 A 28 28 ARG CB C 28 34.405 34.167 0.238 1
1 276 . 6 1 1 A 28 28 ARG N N 28 127.032 125.439 1.593 1
1 277 . 6 1 1 A 29 29 TRP H H 29 8.408 8.803 -0.395 1
1 278 . 6 1 1 A 29 29 TRP HA H 29 4.424 4.627 -0.203 1
1 285 . 6 1 1 A 29 29 TRP C C 29 174.606 175.184 -0.578 1
1 286 . 6 1 1 A 29 29 TRP CA C 29 56.383 58.983 -2.600 1
1 287 . 6 1 1 A 29 29 TRP CB C 29 29.226 30.145 -0.919 1
1 292 . 6 1 1 A 29 29 TRP N N 29 124.511 126.842 -2.331 1
1 293 . 6 1 1 A 30 30 VAL H H 30 8.464 7.839 0.625 1
1 294 . 6 1 1 A 30 30 VAL HA H 30 4.736 4.910 -0.174 1
1 302 . 6 1 1 A 30 30 VAL C C 30 172.903 174.371 -1.468 1
1 303 . 6 1 1 A 30 30 VAL CA C 30 61.219 60.393 0.826 1
1 304 . 6 1 1 A 30 30 VAL CB C 30 32.925 34.910 -1.985 1
1 307 . 6 1 1 A 30 30 VAL N N 30 129.572 126.964 2.608 1
1 308 . 6 1 1 A 31 31 LYS H H 31 9.125 8.512 0.613 1
1 309 . 6 1 1 A 31 31 LYS HA H 31 5.095 5.291 -0.196 1
1 318 . 6 1 1 A 31 31 LYS C C 31 175.396 174.383 1.013 1
1 319 . 6 1 1 A 31 31 LYS CA C 31 54.677 55.393 -0.716 1
1 320 . 6 1 1 A 31 31 LYS CB C 31 37.036 36.835 0.201 1
1 324 . 6 1 1 A 31 31 LYS N N 31 124.358 127.360 -3.002 1
1 325 . 6 1 1 A 32 32 PHE H H 32 9.725 8.702 1.023 1
1 326 . 6 1 1 A 32 32 PHE HA H 32 5.905 5.220 0.685 1
1 334 . 6 1 1 A 32 32 PHE C C 32 174.555 174.285 0.270 1
1 335 . 6 1 1 A 32 32 PHE CA C 32 56.224 56.399 -0.175 1
1 336 . 6 1 1 A 32 32 PHE CB C 32 41.804 42.920 -1.116 1
1 342 . 6 1 1 A 32 32 PHE N N 32 125.979 126.562 -0.583 1
1 343 . 6 1 1 A 33 33 ASP H H 33 7.884 8.424 -0.540 1
1 344 . 6 1 1 A 33 33 ASP HA H 33 4.555 4.777 -0.222 1
1 347 . 6 1 1 A 33 33 ASP C C 33 175.730 175.456 0.274 1
1 348 . 6 1 1 A 33 33 ASP CA C 33 52.602 54.187 -1.585 1
1 349 . 6 1 1 A 33 33 ASP CB C 33 41.686 43.086 -1.400 1
1 350 . 6 1 1 A 33 33 ASP N N 33 126.924 124.505 2.419 1
1 351 . 6 1 1 A 34 34 GLY H H 34 4.680 6.908 -2.228 1
1 352 . 6 1 1 A 34 34 GLY HA2 H 34 4.252 3.559 0.693 1
1 353 . 6 1 1 A 34 34 GLY HA3 H 34 3.023 3.755 -0.732 1
1 354 . 6 1 1 A 34 34 GLY C C 34 172.363 175.310 -2.947 1
1 355 . 6 1 1 A 34 34 GLY CA C 34 45.672 45.029 0.643 1
1 356 . 6 1 1 A 35 35 LEU H H 35 8.148 7.974 0.174 1
1 357 . 6 1 1 A 35 35 LEU HA H 35 4.623 4.439 0.184 1
1 367 . 6 1 1 A 35 35 LEU C C 35 177.783 176.333 1.450 1
1 368 . 6 1 1 A 35 35 LEU CA C 35 55.978 55.839 0.139 1
1 369 . 6 1 1 A 35 35 LEU CB C 35 44.352 43.641 0.711 1
1 373 . 6 1 1 A 35 35 LEU N N 35 120.632 119.748 0.884 1
1 374 . 6 1 1 A 36 36 SER H H 36 9.064 7.863 1.201 1
1 375 . 6 1 1 A 36 36 SER HA H 36 5.059 5.089 -0.030 1
1 378 . 6 1 1 A 36 36 SER C C 36 173.878 172.352 1.526 1
1 379 . 6 1 1 A 36 36 SER CA C 36 57.667 57.882 -0.215 1
1 380 . 6 1 1 A 36 36 SER CB C 36 66.140 67.388 -1.248 1
1 381 . 6 1 1 A 36 36 SER N N 36 115.030 111.284 3.746 1
1 382 . 6 1 1 A 37 37 ILE H H 37 8.981 9.088 -0.107 1
1 383 . 6 1 1 A 37 37 ILE HA H 37 5.055 5.131 -0.076 1
1 393 . 6 1 1 A 37 37 ILE C C 37 174.995 174.705 0.290 1
1 394 . 6 1 1 A 37 37 ILE CA C 37 61.061 60.675 0.386 1
1 395 . 6 1 1 A 37 37 ILE CB C 37 39.355 39.148 0.207 1
1 399 . 6 1 1 A 37 37 ILE N N 37 122.186 122.568 -0.382 1
1 400 . 6 1 1 A 38 38 SER H H 38 9.422 8.817 0.605 1
1 401 . 6 1 1 A 38 38 SER HA H 38 5.297 4.736 0.561 1
1 404 . 6 1 1 A 38 38 SER C C 38 172.177 173.292 -1.115 1
1 405 . 6 1 1 A 38 38 SER CA C 38 56.910 57.925 -1.015 1
1 406 . 6 1 1 A 38 38 SER CB C 38 66.018 63.664 2.354 1
1 407 . 6 1 1 A 38 38 SER N N 38 122.548 124.195 -1.647 1
1 408 . 6 1 1 A 39 39 TYR H H 39 7.649 8.072 -0.423 1
1 409 . 6 1 1 A 39 39 TYR HA H 39 6.025 5.987 0.038 1
1 416 . 6 1 1 A 39 39 TYR C C 39 173.937 174.181 -0.244 1
1 417 . 6 1 1 A 39 39 TYR CA C 39 54.144 55.520 -1.376 1
1 418 . 6 1 1 A 39 39 TYR CB C 39 41.722 41.324 0.398 1
1 423 . 6 1 1 A 39 39 TYR N N 39 116.176 123.268 -7.092 1
1 424 . 6 1 1 A 40 40 TYR H H 40 9.647 9.073 0.574 1
1 425 . 6 1 1 A 40 40 TYR HA H 40 5.044 5.054 -0.010 1
1 432 . 6 1 1 A 40 40 TYR CA C 40 56.928 57.182 -0.254 1
1 433 . 6 1 1 A 40 40 TYR CB C 40 43.678 42.362 1.316 1
1 438 . 6 1 1 A 40 40 TYR N N 40 118.964 121.831 -2.867 1
1 439 . 6 1 1 A 41 41 ASN H H 41 7.712 8.814 -1.102 1
1 440 . 6 1 1 A 41 41 ASN HA H 41 4.867 4.980 -0.113 1
1 445 . 6 1 1 A 41 41 ASN CB C 41 39.279 39.019 0.260 1
1 446 . 6 1 1 A 41 41 ASN N N 41 109.731 120.021 -10.290 1
1 448 . 6 1 1 A 42 42 ASN H H 42 9.215 9.381 -0.166 1
1 449 . 6 1 1 A 42 42 ASN HA H 42 4.868 4.935 -0.067 1
1 452 . 6 1 1 A 42 42 ASN CA C 42 52.812 56.362 -3.550 1
1 453 . 6 1 1 A 42 42 ASN CB C 42 39.180 38.087 1.093 1
1 458 . 6 1 1 A 44 44 LYS CB C 44 35.364 31.342 4.022 1
1 460 . 6 1 1 A 46 46 MET H H 46 8.285 8.233 0.052 1
1 461 . 6 1 1 A 46 46 MET HA H 46 4.218 3.980 0.238 1
1 466 . 6 1 1 A 46 46 MET CA C 46 56.523 58.508 -1.985 1
1 467 . 6 1 1 A 46 46 MET CB C 46 33.665 32.647 1.018 1
1 469 . 6 1 1 A 47 47 TYR H H 47 7.965 7.827 0.138 1
1 470 . 6 1 1 A 47 47 TYR HA H 47 4.935 5.384 -0.449 1
1 477 . 6 1 1 A 47 47 TYR CA C 47 55.861 56.487 -0.626 1
1 478 . 6 1 1 A 47 47 TYR CB C 47 38.476 41.168 -2.692 1
1 483 . 6 1 1 A 47 47 TYR N N 47 117.521 115.400 2.121 1
1 484 . 6 1 1 A 49 49 LYS H H 49 8.704 8.724 -0.020 1
1 485 . 6 1 1 A 49 49 LYS HA H 49 4.369 5.228 -0.859 1
1 494 . 6 1 1 A 49 49 LYS CA C 49 54.891 54.385 0.506 1
1 495 . 6 1 1 A 49 49 LYS CB C 49 32.501 36.409 -3.908 1
1 499 . 6 1 1 A 50 50 GLY H H 50 6.985 8.502 -1.517 1
1 500 . 6 1 1 A 50 50 GLY HA2 H 50 3.825 3.744 0.081 1
1 501 . 6 1 1 A 50 50 GLY HA3 H 50 3.265 4.120 -0.855 1
1 502 . 6 1 1 A 50 50 GLY C C 50 170.241 171.995 -1.754 1
1 503 . 6 1 1 A 50 50 GLY CA C 50 45.039 44.577 0.462 1
1 504 . 6 1 1 A 50 50 GLY N N 50 108.097 111.354 -3.257 1
1 505 . 6 1 1 A 51 51 ILE H H 51 7.890 8.556 -0.666 1
1 506 . 6 1 1 A 51 51 ILE HA H 51 4.777 4.968 -0.191 1
1 516 . 6 1 1 A 51 51 ILE C C 51 175.026 173.419 1.607 1
1 517 . 6 1 1 A 51 51 ILE CA C 51 60.217 58.895 1.322 1
1 518 . 6 1 1 A 51 51 ILE CB C 51 42.388 42.115 0.273 1
1 522 . 6 1 1 A 51 51 ILE N N 51 117.769 125.590 -7.821 1
1 523 . 6 1 1 A 52 52 ILE H H 52 9.485 8.892 0.593 1
1 524 . 6 1 1 A 52 52 ILE HA H 52 4.533 4.675 -0.142 1
1 534 . 6 1 1 A 52 52 ILE C C 52 173.526 174.696 -1.170 1
1 535 . 6 1 1 A 52 52 ILE CA C 52 57.983 57.782 0.201 1
1 536 . 6 1 1 A 52 52 ILE CB C 52 40.324 39.334 0.990 1
1 540 . 6 1 1 A 52 52 ILE N N 52 127.899 128.223 -0.324 1
1 541 . 6 1 1 A 53 53 PRO HA H 53 4.501 4.745 -0.244 1
1 548 . 6 1 1 A 53 53 PRO C C 53 177.663 178.066 -0.403 1
1 549 . 6 1 1 A 53 53 PRO CA C 53 62.838 63.013 -0.175 1
1 550 . 6 1 1 A 53 53 PRO CB C 53 31.939 31.818 0.121 1
1 553 . 6 1 1 A 54 54 LEU H H 54 8.647 9.301 -0.654 1
1 554 . 6 1 1 A 54 54 LEU HA H 54 3.985 4.200 -0.215 1
1 564 . 6 1 1 A 54 54 LEU C C 54 178.940 178.125 0.815 1
1 565 . 6 1 1 A 54 54 LEU CA C 54 58.371 57.878 0.493 1
1 566 . 6 1 1 A 54 54 LEU CB C 54 42.388 41.786 0.602 1
1 570 . 6 1 1 A 54 54 LEU N N 54 124.847 127.133 -2.286 1
1 571 . 6 1 1 A 55 55 SER H H 55 8.278 8.390 -0.112 1
1 572 . 6 1 1 A 55 55 SER HA H 55 4.169 4.255 -0.086 1
1 575 . 6 1 1 A 55 55 SER C C 55 174.956 176.837 -1.881 1
1 576 . 6 1 1 A 55 55 SER CA C 55 59.971 61.551 -1.580 1
1 577 . 6 1 1 A 55 55 SER CB C 55 62.721 62.314 0.407 1
1 578 . 6 1 1 A 55 55 SER N N 55 109.639 114.679 -5.040 1
1 579 . 6 1 1 A 56 56 ALA H H 56 7.796 8.334 -0.538 1
1 580 . 6 1 1 A 56 56 ALA HA H 56 4.545 4.349 0.196 1
1 584 . 6 1 1 A 56 56 ALA C C 56 177.505 178.768 -1.263 1
1 585 . 6 1 1 A 56 56 ALA CA C 56 52.022 55.447 -3.425 1
1 586 . 6 1 1 A 56 56 ALA CB C 56 20.240 18.388 1.852 1
1 587 . 6 1 1 A 56 56 ALA N N 56 123.057 122.284 0.773 1
1 588 . 6 1 1 A 57 57 ILE H H 57 7.664 7.197 0.467 1
1 589 . 6 1 1 A 57 57 ILE HA H 57 4.035 4.354 -0.319 1
1 599 . 6 1 1 A 57 57 ILE C C 57 175.285 175.917 -0.632 1
1 600 . 6 1 1 A 57 57 ILE CA C 57 62.697 62.146 0.551 1
1 601 . 6 1 1 A 57 57 ILE CB C 57 38.474 37.102 1.372 1
1 605 . 6 1 1 A 57 57 ILE N N 57 119.512 118.287 1.225 1
1 606 . 6 1 1 A 58 58 SER H H 58 9.364 9.178 0.186 1
1 607 . 6 1 1 A 58 58 SER HA H 58 4.526 4.554 -0.028 1
1 610 . 6 1 1 A 58 58 SER C C 58 175.125 174.702 0.423 1
1 611 . 6 1 1 A 58 58 SER CA C 58 59.215 60.605 -1.390 1
1 612 . 6 1 1 A 58 58 SER CB C 58 63.590 64.359 -0.769 1
1 613 . 6 1 1 A 58 58 SER N N 58 122.513 123.859 -1.346 1
1 614 . 6 1 1 A 59 59 THR H H 59 7.502 7.609 -0.107 1
1 615 . 6 1 1 A 59 59 THR HA H 59 4.355 4.646 -0.291 1
1 620 . 6 1 1 A 59 59 THR C C 59 170.784 171.810 -1.026 1
1 621 . 6 1 1 A 59 59 THR CA C 59 61.132 61.203 -0.071 1
1 622 . 6 1 1 A 59 59 THR CB C 59 68.686 71.055 -2.369 1
1 624 . 6 1 1 A 59 59 THR N N 59 112.470 111.931 0.539 1
1 625 . 6 1 1 A 60 60 VAL H H 60 7.766 8.668 -0.902 1
1 626 . 6 1 1 A 60 60 VAL HA H 60 5.326 5.171 0.155 1
1 634 . 6 1 1 A 60 60 VAL C C 60 174.166 174.387 -0.221 1
1 635 . 6 1 1 A 60 60 VAL CA C 60 60.410 60.631 -0.221 1
1 636 . 6 1 1 A 60 60 VAL CB C 60 34.979 34.430 0.549 1
1 639 . 6 1 1 A 60 60 VAL N N 60 121.276 126.136 -4.860 1
1 640 . 6 1 1 A 61 61 ARG H H 61 8.941 8.715 0.226 1
1 641 . 6 1 1 A 61 61 ARG HA H 61 5.053 5.050 0.003 1
1 648 . 6 1 1 A 61 61 ARG C C 61 175.460 174.848 0.612 1
1 649 . 6 1 1 A 61 61 ARG CA C 61 54.166 54.372 -0.206 1
1 650 . 6 1 1 A 61 61 ARG CB C 61 34.000 33.801 0.199 1
1 653 . 6 1 1 A 61 61 ARG N N 61 121.101 124.151 -3.050 1
1 654 . 6 1 1 A 62 62 VAL H H 62 8.627 8.619 0.008 1
1 655 . 6 1 1 A 62 62 VAL HA H 62 4.195 4.524 -0.329 1
1 663 . 6 1 1 A 62 62 VAL C C 62 175.216 175.545 -0.329 1
1 664 . 6 1 1 A 62 62 VAL CA C 62 62.926 61.718 1.208 1
1 665 . 6 1 1 A 62 62 VAL CB C 62 33.459 32.975 0.484 1
1 668 . 6 1 1 A 62 62 VAL N N 62 118.451 118.680 -0.229 1
1 669 . 6 1 1 A 63 63 GLN H H 63 7.628 8.463 -0.835 1
1 670 . 6 1 1 A 63 63 GLN HA H 63 4.575 4.875 -0.300 1
1 677 . 6 1 1 A 63 63 GLN C C 63 174.418 176.030 -1.612 1
1 678 . 6 1 1 A 63 63 GLN CA C 63 55.451 54.243 1.208 1
1 679 . 6 1 1 A 63 63 GLN CB C 63 32.062 31.616 0.446 1
1 681 . 6 1 1 A 63 63 GLN N N 63 123.160 121.021 2.139 1
1 683 . 6 1 1 A 64 64 GLY H H 64 8.678 8.688 -0.010 1
1 684 . 6 1 1 A 64 64 GLY HA2 H 64 4.025 3.926 0.099 1
1 685 . 6 1 1 A 64 64 GLY HA3 H 64 3.895 3.928 -0.033 1
1 686 . 6 1 1 A 64 64 GLY C C 64 174.592 172.950 1.642 1
1 687 . 6 1 1 A 64 64 GLY CA C 64 45.531 45.199 0.332 1
1 688 . 6 1 1 A 64 64 GLY N N 64 112.406 109.743 2.663 1
1 689 . 6 1 1 A 65 65 ASP HA H 65 4.625 4.961 -0.336 1
1 692 . 6 1 1 A 65 65 ASP C C 65 176.902 176.639 0.263 1
1 693 . 6 1 1 A 65 65 ASP CA C 65 55.486 53.031 2.455 1
1 694 . 6 1 1 A 65 65 ASP CB C 65 40.817 42.220 -1.403 1
1 695 . 6 1 1 A 66 66 ASN H H 66 7.979 8.987 -1.008 1
1 696 . 6 1 1 A 66 66 ASN HA H 66 4.554 4.446 0.108 1
1 701 . 6 1 1 A 66 66 ASN C C 66 174.456 174.011 0.445 1
1 702 . 6 1 1 A 66 66 ASN CA C 66 52.795 54.075 -1.280 1
1 703 . 6 1 1 A 66 66 ASN CB C 66 37.981 36.225 1.756 1
1 704 . 6 1 1 A 66 66 ASN N N 66 112.071 121.953 -9.882 1
1 706 . 6 1 1 A 67 67 LYS H H 67 7.476 7.478 -0.002 1
1 707 . 6 1 1 A 67 67 LYS HA H 67 5.914 5.093 0.821 1
1 716 . 6 1 1 A 67 67 LYS C C 67 177.922 175.477 2.445 1
1 717 . 6 1 1 A 67 67 LYS CA C 67 54.906 54.592 0.314 1
1 718 . 6 1 1 A 67 67 LYS CB C 67 36.707 36.944 -0.237 1
1 722 . 6 1 1 A 67 67 LYS N N 67 115.613 118.912 -3.299 1
1 723 . 6 1 1 A 68 68 PHE H H 68 9.227 8.388 0.839 1
1 724 . 6 1 1 A 68 68 PHE HA H 68 5.296 5.161 0.135 1
1 732 . 6 1 1 A 68 68 PHE C C 68 171.230 172.121 -0.891 1
1 733 . 6 1 1 A 68 68 PHE CA C 68 56.576 55.996 0.580 1
1 734 . 6 1 1 A 68 68 PHE CB C 68 42.790 41.629 1.161 1
1 740 . 6 1 1 A 68 68 PHE N N 68 117.009 117.105 -0.096 1
1 741 . 6 1 1 A 69 69 GLU H H 69 9.527 9.343 0.184 1
1 742 . 6 1 1 A 69 69 GLU HA H 69 5.434 4.839 0.595 1
1 747 . 6 1 1 A 69 69 GLU C C 69 175.659 175.690 -0.031 1
1 748 . 6 1 1 A 69 69 GLU CA C 69 53.429 55.274 -1.845 1
1 749 . 6 1 1 A 69 69 GLU CB C 69 33.460 31.975 1.485 1
1 751 . 6 1 1 A 69 69 GLU N N 69 119.470 120.613 -1.143 1
1 752 . 6 1 1 A 70 70 VAL H H 70 9.486 9.214 0.272 1
1 753 . 6 1 1 A 70 70 VAL HA H 70 4.486 4.686 -0.200 1
1 761 . 6 1 1 A 70 70 VAL C C 70 174.403 175.569 -1.166 1
1 762 . 6 1 1 A 70 70 VAL CA C 70 62.240 61.807 0.433 1
1 763 . 6 1 1 A 70 70 VAL CB C 70 33.706 31.481 2.225 1
1 766 . 6 1 1 A 70 70 VAL N N 70 123.935 127.468 -3.533 1
1 767 . 6 1 1 A 71 71 VAL H H 71 8.658 8.427 0.231 1
1 768 . 6 1 1 A 71 71 VAL HA H 71 4.345 4.144 0.201 1
1 776 . 6 1 1 A 71 71 VAL C C 71 175.524 175.705 -0.181 1
1 777 . 6 1 1 A 71 71 VAL CA C 71 63.365 63.505 -0.140 1
1 778 . 6 1 1 A 71 71 VAL CB C 71 32.802 31.244 1.558 1
1 781 . 6 1 1 A 71 71 VAL N N 71 129.195 128.254 0.941 1
1 782 . 6 1 1 A 72 72 THR H H 72 8.134 8.216 -0.082 1
1 783 . 6 1 1 A 72 72 THR HA H 72 5.515 5.288 0.227 1
1 788 . 6 1 1 A 72 72 THR C C 72 174.609 176.063 -1.454 1
1 789 . 6 1 1 A 72 72 THR CA C 72 59.496 59.599 -0.103 1
1 790 . 6 1 1 A 72 72 THR CB C 72 72.139 72.129 0.010 1
1 792 . 6 1 1 A 72 72 THR N N 72 117.639 117.429 0.210 1
1 793 . 6 1 1 A 73 73 THR H H 73 8.944 9.204 -0.260 1
1 794 . 6 1 1 A 73 73 THR HA H 73 3.966 3.929 0.037 1
1 799 . 6 1 1 A 73 73 THR C C 73 175.783 176.298 -0.515 1
1 800 . 6 1 1 A 73 73 THR CA C 73 65.880 66.899 -1.019 1
1 801 . 6 1 1 A 73 73 THR CB C 73 68.604 68.803 -0.199 1
1 803 . 6 1 1 A 73 73 THR N N 73 114.027 117.811 -3.784 1
1 804 . 6 1 1 A 74 74 GLN H H 74 7.997 7.826 0.171 1
1 805 . 6 1 1 A 74 74 GLN HA H 74 4.350 4.219 0.131 1
1 812 . 6 1 1 A 74 74 GLN C C 74 175.698 176.135 -0.437 1
1 813 . 6 1 1 A 74 74 GLN CA C 74 56.910 58.157 -1.247 1
1 814 . 6 1 1 A 74 74 GLN CB C 74 30.624 29.395 1.229 1
1 816 . 6 1 1 A 74 74 GLN N N 74 115.670 118.538 -2.868 1
1 818 . 6 1 1 A 75 75 ARG H H 75 7.366 7.298 0.068 1
1 819 . 6 1 1 A 75 75 ARG HA H 75 4.395 4.526 -0.131 1
1 826 . 6 1 1 A 75 75 ARG C C 75 174.546 174.707 -0.161 1
1 827 . 6 1 1 A 75 75 ARG CA C 75 55.802 55.067 0.735 1
1 828 . 6 1 1 A 75 75 ARG CB C 75 32.514 32.678 -0.164 1
1 831 . 6 1 1 A 75 75 ARG N N 75 115.650 113.290 2.360 1
1 832 . 6 1 1 A 76 76 THR H H 76 8.679 8.572 0.107 1
1 833 . 6 1 1 A 76 76 THR HA H 76 5.065 4.260 0.805 1
1 838 . 6 1 1 A 76 76 THR C C 76 173.239 174.090 -0.851 1
1 839 . 6 1 1 A 76 76 THR CA C 76 61.888 63.853 -1.965 1
1 840 . 6 1 1 A 76 76 THR CB C 76 69.878 69.514 0.364 1
1 842 . 6 1 1 A 76 76 THR N N 76 120.285 118.564 1.721 1
1 843 . 6 1 1 A 77 77 PHE H H 77 9.156 9.277 -0.121 1
1 844 . 6 1 1 A 77 77 PHE HA H 77 4.385 4.924 -0.539 1
1 852 . 6 1 1 A 77 77 PHE C C 77 174.028 174.178 -0.150 1
1 853 . 6 1 1 A 77 77 PHE CA C 77 56.822 56.210 0.612 1
1 854 . 6 1 1 A 77 77 PHE CB C 77 41.640 42.463 -0.823 1
1 860 . 6 1 1 A 77 77 PHE N N 77 127.212 124.535 2.677 1
1 861 . 6 1 1 A 78 78 VAL H H 78 8.374 8.598 -0.224 1
1 862 . 6 1 1 A 78 78 VAL HA H 78 4.506 4.400 0.106 1
1 870 . 6 1 1 A 78 78 VAL C C 78 173.264 174.579 -1.315 1
1 871 . 6 1 1 A 78 78 VAL CA C 78 61.730 61.167 0.563 1
1 872 . 6 1 1 A 78 78 VAL CB C 78 33.254 32.613 0.641 1
1 875 . 6 1 1 A 78 78 VAL N N 78 123.393 122.853 0.540 1
1 876 . 6 1 1 A 79 79 PHE H H 79 8.458 8.271 0.187 1
1 877 . 6 1 1 A 79 79 PHE HA H 79 5.403 4.955 0.448 1
1 885 . 6 1 1 A 79 79 PHE C C 79 173.855 173.616 0.239 1
1 886 . 6 1 1 A 79 79 PHE CA C 79 55.151 55.587 -0.436 1
1 887 . 6 1 1 A 79 79 PHE CB C 79 42.913 43.381 -0.468 1
1 893 . 6 1 1 A 79 79 PHE N N 79 123.801 125.828 -2.027 1
1 894 . 6 1 1 A 80 80 ARG H H 80 9.407 8.729 0.678 1
1 895 . 6 1 1 A 80 80 ARG HA H 80 5.134 5.103 0.031 1
1 902 . 6 1 1 A 80 80 ARG C C 80 174.634 175.248 -0.614 1
1 903 . 6 1 1 A 80 80 ARG CA C 80 54.431 54.151 0.280 1
1 904 . 6 1 1 A 80 80 ARG CB C 80 35.227 33.955 1.272 1
1 907 . 6 1 1 A 80 80 ARG N N 80 121.570 121.546 0.024 1
1 908 . 6 1 1 A 81 81 VAL H H 81 8.544 8.987 -0.443 1
1 909 . 6 1 1 A 81 81 VAL HA H 81 4.708 4.783 -0.075 1
1 917 . 6 1 1 A 81 81 VAL C C 81 175.050 175.910 -0.860 1
1 918 . 6 1 1 A 81 81 VAL CA C 81 59.602 59.693 -0.091 1
1 919 . 6 1 1 A 81 81 VAL CB C 81 33.706 34.846 -1.140 1
1 922 . 6 1 1 A 81 81 VAL N N 81 122.128 121.522 0.606 1
1 923 . 6 1 1 A 82 82 GLU H H 82 8.549 8.866 -0.317 1
1 924 . 6 1 1 A 82 82 GLU HA H 82 4.132 4.387 -0.255 1
1 929 . 6 1 1 A 82 82 GLU C C 82 176.909 175.679 1.230 1
1 930 . 6 1 1 A 82 82 GLU CA C 82 58.973 57.417 1.556 1
1 931 . 6 1 1 A 82 82 GLU CB C 82 30.582 31.374 -0.792 1
1 933 . 6 1 1 A 82 82 GLU N N 82 121.776 121.964 -0.188 1
1 934 . 6 1 1 A 83 83 LYS H H 83 7.618 7.230 0.388 1
1 935 . 6 1 1 A 83 83 LYS HA H 83 4.708 4.688 0.020 1
1 944 . 6 1 1 A 83 83 LYS C C 83 176.665 176.434 0.231 1
1 945 . 6 1 1 A 83 83 LYS CA C 83 54.694 54.785 -0.091 1
1 946 . 6 1 1 A 83 83 LYS CB C 83 34.775 35.605 -0.830 1
1 950 . 6 1 1 A 83 83 LYS N N 83 115.778 117.193 -1.415 1
1 951 . 6 1 1 A 84 84 GLU H H 84 9.150 8.956 0.194 1
1 952 . 6 1 1 A 84 84 GLU HA H 84 3.953 3.908 0.045 1
1 957 . 6 1 1 A 84 84 GLU C C 84 178.243 178.087 0.156 1
1 958 . 6 1 1 A 84 84 GLU CA C 84 60.217 60.533 -0.316 1
1 959 . 6 1 1 A 84 84 GLU CB C 84 29.843 29.548 0.295 1
1 961 . 6 1 1 A 84 84 GLU N N 84 127.798 124.820 2.978 1
1 962 . 6 1 1 A 85 85 GLU H H 85 9.626 8.283 1.343 1
1 963 . 6 1 1 A 85 85 GLU HA H 85 4.100 4.099 0.001 1
1 968 . 6 1 1 A 85 85 GLU C C 85 178.948 178.499 0.449 1
1 969 . 6 1 1 A 85 85 GLU CA C 85 59.847 59.326 0.521 1
1 970 . 6 1 1 A 85 85 GLU CB C 85 28.897 29.398 -0.501 1
1 972 . 6 1 1 A 85 85 GLU N N 85 117.844 117.674 0.170 1
1 973 . 6 1 1 A 86 86 GLU H H 86 7.257 8.526 -1.269 1
1 974 . 6 1 1 A 86 86 GLU HA H 86 4.365 4.093 0.272 1
1 979 . 6 1 1 A 86 86 GLU C C 86 178.607 178.856 -0.249 1
1 980 . 6 1 1 A 86 86 GLU CA C 86 58.089 59.253 -1.164 1
1 981 . 6 1 1 A 86 86 GLU CB C 86 30.212 29.294 0.918 1
1 983 . 6 1 1 A 86 86 GLU N N 86 118.075 119.846 -1.771 1
1 984 . 6 1 1 A 87 87 ARG H H 87 7.919 7.947 -0.028 1
1 985 . 6 1 1 A 87 87 ARG HA H 87 3.838 4.011 -0.173 1
1 992 . 6 1 1 A 87 87 ARG C C 87 177.977 179.019 -1.042 1
1 993 . 6 1 1 A 87 87 ARG CA C 87 60.815 59.364 1.451 1
1 994 . 6 1 1 A 87 87 ARG CB C 87 28.856 30.033 -1.177 1
1 997 . 6 1 1 A 87 87 ARG N N 87 121.287 121.010 0.277 1
1 998 . 6 1 1 A 88 88 ASN H H 88 8.421 7.695 0.726 1
1 999 . 6 1 1 A 88 88 ASN HA H 88 4.295 4.485 -0.190 1
1 1004 . 6 1 1 A 88 88 ASN C C 88 177.423 177.912 -0.489 1
1 1005 . 6 1 1 A 88 88 ASN CA C 88 55.627 56.249 -0.622 1
1 1006 . 6 1 1 A 88 88 ASN CB C 88 37.136 37.934 -0.798 1
1 1007 . 6 1 1 A 88 88 ASN N N 88 116.926 117.610 -0.684 1
1 1009 . 6 1 1 A 89 89 ASP H H 89 7.790 7.959 -0.169 1
1 1010 . 6 1 1 A 89 89 ASP HA H 89 4.389 4.230 0.159 1
1 1013 . 6 1 1 A 89 89 ASP C C 89 177.683 178.491 -0.808 1
1 1014 . 6 1 1 A 89 89 ASP CA C 89 57.737 57.240 0.497 1
1 1015 . 6 1 1 A 89 89 ASP CB C 89 41.352 40.363 0.989 1
1 1016 . 6 1 1 A 89 89 ASP N N 89 121.867 119.135 2.732 1
1 1017 . 6 1 1 A 90 90 TRP H H 90 7.690 8.170 -0.480 1
1 1018 . 6 1 1 A 90 90 TRP HA H 90 3.666 4.195 -0.529 1
1 1027 . 6 1 1 A 90 90 TRP C C 90 177.880 178.673 -0.793 1
1 1028 . 6 1 1 A 90 90 TRP CA C 90 61.704 59.680 2.024 1
1 1029 . 6 1 1 A 90 90 TRP CB C 90 29.594 29.255 0.339 1
1 1035 . 6 1 1 A 90 90 TRP N N 90 117.617 119.171 -1.554 1
1 1037 . 6 1 1 A 91 91 ILE H H 91 7.654 7.834 -0.180 1
1 1038 . 6 1 1 A 91 91 ILE HA H 91 3.275 3.569 -0.294 1
1 1048 . 6 1 1 A 91 91 ILE C C 91 177.138 178.239 -1.101 1
1 1049 . 6 1 1 A 91 91 ILE CA C 91 65.001 65.599 -0.598 1
1 1050 . 6 1 1 A 91 91 ILE CB C 91 36.913 37.780 -0.867 1
1 1054 . 6 1 1 A 91 91 ILE N N 91 114.248 120.202 -5.954 1
1 1055 . 6 1 1 A 92 92 SER H H 92 8.055 8.329 -0.274 1
1 1056 . 6 1 1 A 92 92 SER HA H 92 4.045 4.043 0.002 1
1 1059 . 6 1 1 A 92 92 SER C C 92 177.204 177.430 -0.226 1
1 1060 . 6 1 1 A 92 92 SER CA C 92 61.923 61.607 0.316 1
1 1061 . 6 1 1 A 92 92 SER CB C 92 62.767 63.048 -0.281 1
1 1062 . 6 1 1 A 92 92 SER N N 92 114.018 115.312 -1.294 1
1 1063 . 6 1 1 A 93 93 ILE H H 93 7.926 7.999 -0.073 1
1 1064 . 6 1 1 A 93 93 ILE HA H 93 3.795 3.672 0.123 1
1 1074 . 6 1 1 A 93 93 ILE C C 93 178.947 178.401 0.546 1
1 1075 . 6 1 1 A 93 93 ILE CA C 93 64.825 64.735 0.090 1
1 1076 . 6 1 1 A 93 93 ILE CB C 93 37.693 37.741 -0.048 1
1 1080 . 6 1 1 A 93 93 ILE N N 93 120.974 120.715 0.259 1
1 1081 . 6 1 1 A 94 94 LEU H H 94 7.678 7.935 -0.257 1
1 1082 . 6 1 1 A 94 94 LEU HA H 94 3.634 3.797 -0.163 1
1 1092 . 6 1 1 A 94 94 LEU C C 94 178.551 179.105 -0.554 1
1 1093 . 6 1 1 A 94 94 LEU CA C 94 57.861 57.880 -0.019 1
1 1094 . 6 1 1 A 94 94 LEU CB C 94 42.356 41.624 0.732 1
1 1098 . 6 1 1 A 94 94 LEU N N 94 121.223 119.512 1.711 1
1 1099 . 6 1 1 A 95 95 LEU H H 95 8.954 8.300 0.654 1
1 1100 . 6 1 1 A 95 95 LEU HA H 95 4.037 3.830 0.207 1
1 1110 . 6 1 1 A 95 95 LEU C C 95 180.858 178.977 1.881 1
1 1111 . 6 1 1 A 95 95 LEU CA C 95 58.194 58.123 0.071 1
1 1112 . 6 1 1 A 95 95 LEU CB C 95 41.286 41.553 -0.267 1
1 1116 . 6 1 1 A 95 95 LEU N N 95 118.177 118.192 -0.015 1
1 1117 . 6 1 1 A 96 96 ASN H H 96 8.235 8.494 -0.259 1
1 1118 . 6 1 1 A 96 96 ASN HA H 96 4.445 4.396 0.049 1
1 1123 . 6 1 1 A 96 96 ASN C C 96 177.901 177.316 0.585 1
1 1124 . 6 1 1 A 96 96 ASN CA C 96 56.347 56.991 -0.644 1
1 1125 . 6 1 1 A 96 96 ASN CB C 96 38.105 39.791 -1.686 1
1 1126 . 6 1 1 A 96 96 ASN N N 96 117.502 116.952 0.550 1
1 1128 . 6 1 1 A 97 97 ALA H H 97 7.756 7.582 0.174 1
1 1129 . 6 1 1 A 97 97 ALA HA H 97 4.305 4.096 0.209 1
1 1133 . 6 1 1 A 97 97 ALA C C 97 180.315 179.851 0.464 1
1 1134 . 6 1 1 A 97 97 ALA CA C 97 54.906 55.231 -0.325 1
1 1135 . 6 1 1 A 97 97 ALA CB C 97 19.214 18.778 0.436 1
1 1136 . 6 1 1 A 97 97 ALA N N 97 123.457 121.662 1.795 1
1 1137 . 6 1 1 A 98 98 LEU H H 98 8.335 8.587 -0.252 1
1 1138 . 6 1 1 A 98 98 LEU HA H 98 4.055 3.984 0.071 1
1 1148 . 6 1 1 A 98 98 LEU C C 98 179.542 179.571 -0.029 1
1 1149 . 6 1 1 A 98 98 LEU CA C 98 57.578 57.853 -0.275 1
1 1150 . 6 1 1 A 98 98 LEU CB C 98 42.174 41.410 0.764 1
1 1154 . 6 1 1 A 98 98 LEU N N 98 119.610 117.718 1.892 1
1 1155 . 6 1 1 A 99 99 LYS H H 99 7.969 7.931 0.038 1
1 1156 . 6 1 1 A 99 99 LYS HA H 99 4.203 4.392 -0.189 1
1 1165 . 6 1 1 A 99 99 LYS C C 99 178.392 178.809 -0.417 1
1 1166 . 6 1 1 A 99 99 LYS CA C 99 58.563 59.238 -0.675 1
1 1167 . 6 1 1 A 99 99 LYS CB C 99 32.267 31.982 0.285 1
1 1171 . 6 1 1 A 99 99 LYS N N 99 119.323 119.446 -0.123 1
1 1172 . 6 1 1 A 100 100 SER H H 100 7.854 8.198 -0.344 1
1 1173 . 6 1 1 A 100 100 SER HA H 100 4.404 4.301 0.103 1
1 1176 . 6 1 1 A 100 100 SER C C 100 175.449 176.640 -1.191 1
1 1177 . 6 1 1 A 100 100 SER CA C 100 60.076 61.208 -1.132 1
1 1178 . 6 1 1 A 100 100 SER CB C 100 63.600 62.923 0.677 1
1 1179 . 6 1 1 A 100 100 SER N N 100 114.116 115.457 -1.341 1
1 1180 . 6 1 1 A 101 101 GLN H H 101 7.863 8.272 -0.409 1
1 1181 . 6 1 1 A 101 101 GLN HA H 101 4.294 4.289 0.005 1
1 1188 . 6 1 1 A 101 101 GLN C C 101 176.613 175.658 0.955 1
1 1189 . 6 1 1 A 101 101 GLN CA C 101 57.121 56.984 0.137 1
1 1190 . 6 1 1 A 101 101 GLN CB C 101 29.761 28.214 1.547 1
1 1192 . 6 1 1 A 101 101 GLN N N 101 120.923 116.642 4.281 1
1 1194 . 6 1 1 A 102 102 SER H H 102 8.170 7.458 0.712 1
1 1195 . 6 1 1 A 102 102 SER HA H 102 4.445 4.851 -0.406 1
1 1198 . 6 1 1 A 102 102 SER C C 102 175.030 172.267 2.763 1
1 1199 . 6 1 1 A 102 102 SER CA C 102 59.162 57.231 1.931 1
1 1200 . 6 1 1 A 102 102 SER CB C 102 63.466 65.356 -1.890 1
1 1201 . 6 1 1 A 102 102 SER N N 102 115.689 114.401 1.288 1
1 1202 . 6 1 1 A 103 103 LEU H H 103 8.111 8.933 -0.822 1
1 1203 . 6 1 1 A 103 103 LEU HA H 103 4.400 5.074 -0.674 1
1 1213 . 6 1 1 A 103 103 LEU C C 103 178.263 175.744 2.519 1
1 1214 . 6 1 1 A 103 103 LEU CA C 103 55.908 53.182 2.726 1
1 1215 . 6 1 1 A 103 103 LEU CB C 103 42.215 45.317 -3.102 1
1 1219 . 6 1 1 A 103 103 LEU N N 103 123.252 128.542 -5.290 1
1 1220 . 6 1 1 A 104 104 THR H H 104 8.064 8.770 -0.706 1
1 1221 . 6 1 1 A 104 104 THR HA H 104 4.354 5.016 -0.662 1
1 1226 . 6 1 1 A 104 104 THR C C 104 175.092 172.112 2.980 1
1 1227 . 6 1 1 A 104 104 THR CA C 104 62.368 60.355 2.013 1
1 1228 . 6 1 1 A 104 104 THR CB C 104 69.673 71.598 -1.925 1
1 1230 . 6 1 1 A 104 104 THR N N 104 113.441 115.038 -1.597 1
1 1231 . 6 1 1 A 105 105 SER H H 105 8.231 8.667 -0.436 1
1 1232 . 6 1 1 A 105 105 SER C C 105 177.959 173.240 4.719 1
1 1233 . 6 1 1 A 105 105 SER CA C 105 58.406 57.327 1.079 1
1 1234 . 6 1 1 A 105 105 SER CB C 105 63.507 61.694 1.813 1
1 1235 . 6 1 1 A 105 105 SER N N 105 117.638 123.330 -5.692 1
1 1236 . 6 1 1 A 106 106 GLN HA H 106 4.365 4.837 -0.472 1
1 1239 . 6 1 1 A 106 106 GLN C C 106 176.322 174.740 1.582 1
1 1240 . 6 1 1 A 106 106 GLN CA C 106 56.189 54.437 1.752 1
1 1241 . 6 1 1 A 106 106 GLN CB C 106 29.226 32.289 -3.063 1
1 1243 . 6 1 1 A 107 107 SER H H 107 8.287 8.700 -0.413 1
1 1244 . 6 1 1 A 107 107 SER HA H 107 4.404 4.398 0.006 1
1 1246 . 6 1 1 A 107 107 SER C C 107 174.687 173.738 0.949 1
1 1247 . 6 1 1 A 107 107 SER CA C 107 58.722 58.617 0.105 1
1 1248 . 6 1 1 A 107 107 SER CB C 107 63.713 63.333 0.380 1
1 1249 . 6 1 1 A 107 107 SER N N 107 116.578 121.205 -4.627 1
1 1250 . 6 1 1 A 108 108 GLN H H 108 8.354 8.330 0.024 1
1 1251 . 6 1 1 A 108 108 GLN HA H 108 4.349 4.242 0.107 1
1 1258 . 6 1 1 A 108 108 GLN C C 108 175.798 175.287 0.511 1
1 1259 . 6 1 1 A 108 108 GLN CA C 108 55.820 55.981 -0.161 1
1 1260 . 6 1 1 A 108 108 GLN CB C 108 29.432 29.092 0.340 1
1 1262 . 6 1 1 A 108 108 GLN N N 108 122.015 126.792 -4.777 1
1 1264 . 6 1 1 A 109 109 ALA H H 109 8.301 8.549 -0.248 1
1 1265 . 6 1 1 A 109 109 ALA HA H 109 4.345 4.710 -0.365 1
1 1269 . 6 1 1 A 109 109 ALA C C 109 177.749 176.756 0.993 1
1 1270 . 6 1 1 A 109 109 ALA CA C 109 52.672 51.286 1.386 1
1 1271 . 6 1 1 A 109 109 ALA CB C 109 19.237 19.865 -0.628 1
1 1272 . 6 1 1 A 109 109 ALA N N 109 125.243 125.010 0.233 1
1 1273 . 6 1 1 A 110 110 SER H H 110 8.290 8.849 -0.559 1
1 1274 . 6 1 1 A 110 110 SER HA H 110 4.459 4.535 -0.076 1
1 1277 . 6 1 1 A 110 110 SER C C 110 174.593 174.891 -0.298 1
1 1278 . 6 1 1 A 110 110 SER CA C 110 58.248 58.218 0.030 1
1 1279 . 6 1 1 A 110 110 SER CB C 110 63.918 63.467 0.451 1
1 1280 . 6 1 1 A 110 110 SER N N 110 115.148 115.950 -0.802 1
1 1281 . 6 1 1 A 111 111 GLY H H 111 8.199 8.907 -0.708 1
1 1282 . 6 1 1 A 111 111 GLY HA2 H 111 4.167 4.298 -0.131 1
1 1283 . 6 1 1 A 111 111 GLY HA3 H 111 4.094 4.298 -0.204 1
1 1284 . 6 1 1 A 111 111 GLY C C 111 171.782 172.269 -0.487 1
1 1285 . 6 1 1 A 111 111 GLY CA C 111 44.652 46.755 -2.103 1
1 1286 . 6 1 1 A 111 111 GLY N N 111 110.586 110.663 -0.077 1
1 1287 . 6 1 1 A 112 112 PRO HA H 112 4.471 4.499 -0.028 1
1 1294 . 6 1 1 A 112 112 PRO CA C 112 63.154 62.909 0.245 1
1 1295 . 6 1 1 A 112 112 PRO CB C 112 32.314 32.457 -0.143 1
1 1 . 7 1 1 A 7 7 GLY H H 7 9.055 8.418 0.637 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.908 4.088 -0.180 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 3.968 4.103 -0.135 1
1 4 . 7 1 1 A 7 7 GLY C C 7 173.671 174.512 -0.841 1
1 5 . 7 1 1 A 7 7 GLY CA C 7 45.421 44.754 0.667 1
1 6 . 7 1 1 A 8 8 LYS H H 8 8.145 8.688 -0.543 1
1 7 . 7 1 1 A 8 8 LYS HA H 8 4.345 4.597 -0.252 1
1 16 . 7 1 1 A 8 8 LYS C C 8 175.255 175.879 -0.624 1
1 17 . 7 1 1 A 8 8 LYS CA C 8 56.330 55.616 0.714 1
1 18 . 7 1 1 A 8 8 LYS CB C 8 33.583 33.875 -0.292 1
1 22 . 7 1 1 A 8 8 LYS N N 8 120.101 119.913 0.188 1
1 23 . 7 1 1 A 9 9 VAL H H 9 7.579 7.436 0.143 1
1 24 . 7 1 1 A 9 9 VAL HA H 9 4.473 5.133 -0.660 1
1 32 . 7 1 1 A 9 9 VAL C C 9 174.860 174.366 0.494 1
1 33 . 7 1 1 A 9 9 VAL CA C 9 59.989 58.788 1.201 1
1 34 . 7 1 1 A 9 9 VAL CB C 9 34.218 35.838 -1.620 1
1 37 . 7 1 1 A 9 9 VAL N N 9 114.437 115.132 -0.695 1
1 38 . 7 1 1 A 10 10 LYS H H 10 8.236 8.772 -0.536 1
1 39 . 7 1 1 A 10 10 LYS HA H 10 4.345 4.607 -0.262 1
1 48 . 7 1 1 A 10 10 LYS C C 10 172.963 174.235 -1.272 1
1 49 . 7 1 1 A 10 10 LYS CA C 10 56.096 55.825 0.271 1
1 50 . 7 1 1 A 10 10 LYS CB C 10 36.131 36.036 0.095 1
1 54 . 7 1 1 A 10 10 LYS N N 10 122.938 121.608 1.330 1
1 55 . 7 1 1 A 11 11 SER H H 11 8.168 8.597 -0.429 1
1 56 . 7 1 1 A 11 11 SER HA H 11 5.669 5.331 0.338 1
1 59 . 7 1 1 A 11 11 SER C C 11 173.281 173.125 0.156 1
1 60 . 7 1 1 A 11 11 SER CA C 11 55.960 56.963 -1.003 1
1 61 . 7 1 1 A 11 11 SER CB C 11 66.326 66.178 0.148 1
1 62 . 7 1 1 A 11 11 SER N N 11 119.068 118.758 0.310 1
1 63 . 7 1 1 A 12 12 GLY H H 12 8.248 7.775 0.473 1
1 64 . 7 1 1 A 12 12 GLY HA2 H 12 4.168 3.969 0.199 1
1 65 . 7 1 1 A 12 12 GLY HA3 H 12 3.478 4.238 -0.760 1
1 66 . 7 1 1 A 12 12 GLY C C 12 170.778 171.392 -0.614 1
1 67 . 7 1 1 A 12 12 GLY CA C 12 45.654 45.040 0.614 1
1 68 . 7 1 1 A 12 12 GLY N N 12 108.756 109.499 -0.743 1
1 69 . 7 1 1 A 13 13 TRP H H 13 8.622 8.610 0.012 1
1 70 . 7 1 1 A 13 13 TRP HA H 13 5.398 4.732 0.666 1
1 79 . 7 1 1 A 13 13 TRP C C 13 177.511 175.990 1.521 1
1 80 . 7 1 1 A 13 13 TRP CA C 13 57.069 57.267 -0.198 1
1 81 . 7 1 1 A 13 13 TRP CB C 13 30.295 28.876 1.419 1
1 87 . 7 1 1 A 13 13 TRP N N 13 119.518 120.775 -1.257 1
1 89 . 7 1 1 A 14 14 LEU H H 14 9.524 8.929 0.595 1
1 90 . 7 1 1 A 14 14 LEU HA H 14 4.791 4.988 -0.197 1
1 100 . 7 1 1 A 14 14 LEU C C 14 175.381 175.635 -0.254 1
1 101 . 7 1 1 A 14 14 LEU CA C 14 54.096 53.208 0.888 1
1 102 . 7 1 1 A 14 14 LEU CB C 14 47.682 43.875 3.807 1
1 106 . 7 1 1 A 14 14 LEU N N 14 124.165 125.569 -1.404 1
1 107 . 7 1 1 A 15 15 ASP H H 15 8.335 8.704 -0.369 1
1 108 . 7 1 1 A 15 15 ASP HA H 15 5.424 5.459 -0.035 1
1 111 . 7 1 1 A 15 15 ASP C C 15 175.302 175.221 0.081 1
1 112 . 7 1 1 A 15 15 ASP CA C 15 53.252 53.191 0.061 1
1 113 . 7 1 1 A 15 15 ASP CB C 15 42.420 42.971 -0.551 1
1 114 . 7 1 1 A 15 15 ASP N N 15 120.275 121.080 -0.805 1
1 115 . 7 1 1 A 16 16 LYS H H 16 9.444 8.687 0.757 1
1 116 . 7 1 1 A 16 16 LYS HA H 16 4.781 4.643 0.138 1
1 125 . 7 1 1 A 16 16 LYS C C 16 176.244 174.827 1.417 1
1 126 . 7 1 1 A 16 16 LYS CA C 16 54.782 54.952 -0.170 1
1 127 . 7 1 1 A 16 16 LYS CB C 16 36.666 34.207 2.459 1
1 131 . 7 1 1 A 16 16 LYS N N 16 125.854 124.276 1.578 1
1 132 . 7 1 1 A 17 17 LEU H H 17 8.387 8.627 -0.240 1
1 133 . 7 1 1 A 17 17 LEU HA H 17 3.476 4.680 -1.204 1
1 143 . 7 1 1 A 17 17 LEU C C 17 175.840 176.199 -0.359 1
1 144 . 7 1 1 A 17 17 LEU CA C 17 55.715 53.754 1.961 1
1 145 . 7 1 1 A 17 17 LEU CB C 17 41.986 40.183 1.803 1
1 149 . 7 1 1 A 17 17 LEU N N 17 130.736 128.679 2.057 1
1 150 . 7 1 1 A 18 18 SER H H 18 8.378 8.665 -0.287 1
1 151 . 7 1 1 A 18 18 SER HA H 18 4.563 4.222 0.341 1
1 154 . 7 1 1 A 18 18 SER C C 18 172.291 174.222 -1.931 1
1 155 . 7 1 1 A 18 18 SER CA C 18 55.697 62.405 -6.708 1
1 156 . 7 1 1 A 18 18 SER CB C 18 62.885 62.642 0.243 1
1 157 . 7 1 1 A 18 18 SER N N 18 123.037 121.640 1.397 1
1 158 . 7 1 1 A 19 19 PRO HA H 19 4.414 4.588 -0.174 1
1 165 . 7 1 1 A 19 19 PRO CA C 19 63.946 62.276 1.670 1
1 166 . 7 1 1 A 19 19 PRO CB C 19 32.128 33.004 -0.876 1
1 169 . 7 1 1 A 20 20 GLN H H 20 8.085 8.384 -0.299 1
1 170 . 7 1 1 A 20 20 GLN HA H 20 4.353 4.917 -0.564 1
1 175 . 7 1 1 A 20 20 GLN CA C 20 55.533 54.355 1.178 1
1 176 . 7 1 1 A 20 20 GLN CB C 20 30.130 31.548 -1.418 1
1 178 . 7 1 1 A 20 20 GLN N N 20 119.721 116.366 3.355 1
1 179 . 7 1 1 A 22 22 LYS H H 22 8.151 8.813 -0.662 1
1 180 . 7 1 1 A 22 22 LYS HA H 22 4.165 4.243 -0.078 1
1 185 . 7 1 1 A 22 22 LYS C C 22 176.016 176.904 -0.888 1
1 186 . 7 1 1 A 22 22 LYS CA C 22 56.717 58.601 -1.884 1
1 187 . 7 1 1 A 22 22 LYS CB C 22 32.303 32.221 0.082 1
1 191 . 7 1 1 A 23 23 ARG H H 23 8.329 7.768 0.561 1
1 192 . 7 1 1 A 23 23 ARG HA H 23 3.937 4.611 -0.674 1
1 199 . 7 1 1 A 23 23 ARG C C 23 174.937 175.600 -0.663 1
1 200 . 7 1 1 A 23 23 ARG CA C 23 56.436 54.812 1.624 1
1 201 . 7 1 1 A 23 23 ARG CB C 23 29.144 30.961 -1.817 1
1 204 . 7 1 1 A 23 23 ARG N N 23 119.006 119.461 -0.455 1
1 205 . 7 1 1 A 24 24 MET H H 24 7.965 8.696 -0.731 1
1 206 . 7 1 1 A 24 24 MET HA H 24 4.492 4.434 0.058 1
1 209 . 7 1 1 A 24 24 MET C C 24 174.737 175.858 -1.121 1
1 210 . 7 1 1 A 24 24 MET CA C 24 55.134 56.881 -1.747 1
1 211 . 7 1 1 A 24 24 MET CB C 24 33.665 33.488 0.177 1
1 213 . 7 1 1 A 24 24 MET N N 24 120.460 122.587 -2.127 1
1 214 . 7 1 1 A 25 25 PHE H H 25 8.593 7.739 0.854 1
1 215 . 7 1 1 A 25 25 PHE HA H 25 4.788 4.501 0.287 1
1 223 . 7 1 1 A 25 25 PHE C C 25 175.712 175.631 0.081 1
1 224 . 7 1 1 A 25 25 PHE CA C 25 57.421 58.597 -1.176 1
1 225 . 7 1 1 A 25 25 PHE CB C 25 41.890 39.098 2.792 1
1 231 . 7 1 1 A 25 25 PHE N N 25 121.330 119.424 1.906 1
1 232 . 7 1 1 A 26 26 GLN H H 26 8.758 8.909 -0.151 1
1 233 . 7 1 1 A 26 26 GLN HA H 26 4.777 4.976 -0.199 1
1 240 . 7 1 1 A 26 26 GLN C C 26 175.149 174.195 0.954 1
1 241 . 7 1 1 A 26 26 GLN CA C 26 53.991 54.063 -0.072 1
1 242 . 7 1 1 A 26 26 GLN CB C 26 32.144 32.441 -0.297 1
1 244 . 7 1 1 A 26 26 GLN N N 26 119.081 123.065 -3.984 1
1 246 . 7 1 1 A 27 27 LYS H H 27 8.913 8.789 0.124 1
1 247 . 7 1 1 A 27 27 LYS HA H 27 4.933 5.390 -0.457 1
1 256 . 7 1 1 A 27 27 LYS C C 27 177.786 175.546 2.240 1
1 257 . 7 1 1 A 27 27 LYS CA C 27 57.843 54.887 2.956 1
1 258 . 7 1 1 A 27 27 LYS CB C 27 32.720 35.452 -2.732 1
1 262 . 7 1 1 A 27 27 LYS N N 27 126.903 122.931 3.972 1
1 263 . 7 1 1 A 28 28 ARG H H 28 9.847 8.456 1.391 1
1 264 . 7 1 1 A 28 28 ARG HA H 28 5.236 5.172 0.064 1
1 271 . 7 1 1 A 28 28 ARG C C 28 173.319 175.133 -1.814 1
1 272 . 7 1 1 A 28 28 ARG CA C 28 53.481 54.506 -1.025 1
1 273 . 7 1 1 A 28 28 ARG CB C 28 34.405 34.264 0.141 1
1 276 . 7 1 1 A 28 28 ARG N N 28 127.032 125.385 1.647 1
1 277 . 7 1 1 A 29 29 TRP H H 29 8.408 8.566 -0.158 1
1 278 . 7 1 1 A 29 29 TRP HA H 29 4.424 3.914 0.510 1
1 285 . 7 1 1 A 29 29 TRP C C 29 174.606 174.867 -0.261 1
1 286 . 7 1 1 A 29 29 TRP CA C 29 56.383 58.347 -1.964 1
1 287 . 7 1 1 A 29 29 TRP CB C 29 29.226 29.472 -0.246 1
1 292 . 7 1 1 A 29 29 TRP N N 29 124.511 126.516 -2.005 1
1 293 . 7 1 1 A 30 30 VAL H H 30 8.464 7.022 1.442 1
1 294 . 7 1 1 A 30 30 VAL HA H 30 4.736 4.669 0.067 1
1 302 . 7 1 1 A 30 30 VAL C C 30 172.903 174.450 -1.547 1
1 303 . 7 1 1 A 30 30 VAL CA C 30 61.219 60.017 1.202 1
1 304 . 7 1 1 A 30 30 VAL CB C 30 32.925 34.909 -1.984 1
1 307 . 7 1 1 A 30 30 VAL N N 30 129.572 125.942 3.630 1
1 308 . 7 1 1 A 31 31 LYS H H 31 9.125 8.144 0.981 1
1 309 . 7 1 1 A 31 31 LYS HA H 31 5.095 4.727 0.368 1
1 318 . 7 1 1 A 31 31 LYS C C 31 175.396 174.053 1.343 1
1 319 . 7 1 1 A 31 31 LYS CA C 31 54.677 55.555 -0.878 1
1 320 . 7 1 1 A 31 31 LYS CB C 31 37.036 36.462 0.574 1
1 324 . 7 1 1 A 31 31 LYS N N 31 124.358 125.764 -1.406 1
1 325 . 7 1 1 A 32 32 PHE H H 32 9.725 9.182 0.543 1
1 326 . 7 1 1 A 32 32 PHE HA H 32 5.905 5.140 0.765 1
1 334 . 7 1 1 A 32 32 PHE C C 32 174.555 174.398 0.157 1
1 335 . 7 1 1 A 32 32 PHE CA C 32 56.224 56.458 -0.234 1
1 336 . 7 1 1 A 32 32 PHE CB C 32 41.804 42.299 -0.495 1
1 342 . 7 1 1 A 32 32 PHE N N 32 125.979 128.260 -2.281 1
1 343 . 7 1 1 A 33 33 ASP H H 33 7.884 7.832 0.052 1
1 344 . 7 1 1 A 33 33 ASP HA H 33 4.555 4.616 -0.061 1
1 347 . 7 1 1 A 33 33 ASP C C 33 175.730 175.942 -0.212 1
1 348 . 7 1 1 A 33 33 ASP CA C 33 52.602 53.220 -0.618 1
1 349 . 7 1 1 A 33 33 ASP CB C 33 41.686 41.304 0.382 1
1 350 . 7 1 1 A 33 33 ASP N N 33 126.924 126.376 0.548 1
1 351 . 7 1 1 A 34 34 GLY H H 34 4.680 6.158 -1.478 1
1 352 . 7 1 1 A 34 34 GLY HA2 H 34 4.252 3.319 0.933 1
1 353 . 7 1 1 A 34 34 GLY HA3 H 34 3.023 3.684 -0.661 1
1 354 . 7 1 1 A 34 34 GLY C C 34 172.363 175.278 -2.915 1
1 355 . 7 1 1 A 34 34 GLY CA C 34 45.672 44.538 1.134 1
1 356 . 7 1 1 A 35 35 LEU H H 35 8.148 7.747 0.401 1
1 357 . 7 1 1 A 35 35 LEU HA H 35 4.623 4.193 0.430 1
1 367 . 7 1 1 A 35 35 LEU C C 35 177.783 177.009 0.774 1
1 368 . 7 1 1 A 35 35 LEU CA C 35 55.978 56.679 -0.701 1
1 369 . 7 1 1 A 35 35 LEU CB C 35 44.352 42.452 1.900 1
1 373 . 7 1 1 A 35 35 LEU N N 35 120.632 120.383 0.249 1
1 374 . 7 1 1 A 36 36 SER H H 36 9.064 7.793 1.271 1
1 375 . 7 1 1 A 36 36 SER HA H 36 5.059 5.059 0.000 1
1 378 . 7 1 1 A 36 36 SER C C 36 173.878 172.643 1.235 1
1 379 . 7 1 1 A 36 36 SER CA C 36 57.667 57.307 0.360 1
1 380 . 7 1 1 A 36 36 SER CB C 36 66.140 67.013 -0.873 1
1 381 . 7 1 1 A 36 36 SER N N 36 115.030 109.284 5.746 1
1 382 . 7 1 1 A 37 37 ILE H H 37 8.981 8.941 0.040 1
1 383 . 7 1 1 A 37 37 ILE HA H 37 5.055 4.983 0.072 1
1 393 . 7 1 1 A 37 37 ILE C C 37 174.995 174.899 0.096 1
1 394 . 7 1 1 A 37 37 ILE CA C 37 61.061 60.743 0.318 1
1 395 . 7 1 1 A 37 37 ILE CB C 37 39.355 39.241 0.114 1
1 399 . 7 1 1 A 37 37 ILE N N 37 122.186 120.127 2.059 1
1 400 . 7 1 1 A 38 38 SER H H 38 9.422 8.768 0.654 1
1 401 . 7 1 1 A 38 38 SER HA H 38 5.297 5.234 0.063 1
1 404 . 7 1 1 A 38 38 SER C C 38 172.177 173.528 -1.351 1
1 405 . 7 1 1 A 38 38 SER CA C 38 56.910 57.789 -0.879 1
1 406 . 7 1 1 A 38 38 SER CB C 38 66.018 64.555 1.463 1
1 407 . 7 1 1 A 38 38 SER N N 38 122.548 124.476 -1.928 1
1 408 . 7 1 1 A 39 39 TYR H H 39 7.649 8.285 -0.636 1
1 409 . 7 1 1 A 39 39 TYR HA H 39 6.025 6.012 0.013 1
1 416 . 7 1 1 A 39 39 TYR C C 39 173.937 173.108 0.829 1
1 417 . 7 1 1 A 39 39 TYR CA C 39 54.144 55.274 -1.130 1
1 418 . 7 1 1 A 39 39 TYR CB C 39 41.722 42.155 -0.433 1
1 423 . 7 1 1 A 39 39 TYR N N 39 116.176 123.296 -7.120 1
1 424 . 7 1 1 A 40 40 TYR H H 40 9.647 8.455 1.192 1
1 425 . 7 1 1 A 40 40 TYR HA H 40 5.044 5.447 -0.403 1
1 432 . 7 1 1 A 40 40 TYR CA C 40 56.928 55.508 1.420 1
1 433 . 7 1 1 A 40 40 TYR CB C 40 43.678 41.028 2.650 1
1 438 . 7 1 1 A 40 40 TYR N N 40 118.964 118.057 0.907 1
1 439 . 7 1 1 A 41 41 ASN H H 41 7.712 8.893 -1.181 1
1 440 . 7 1 1 A 41 41 ASN HA H 41 4.867 5.237 -0.370 1
1 445 . 7 1 1 A 41 41 ASN CB C 41 39.279 39.677 -0.398 1
1 446 . 7 1 1 A 41 41 ASN N N 41 109.731 117.807 -8.076 1
1 448 . 7 1 1 A 42 42 ASN H H 42 9.215 9.109 0.106 1
1 449 . 7 1 1 A 42 42 ASN HA H 42 4.868 4.825 0.043 1
1 452 . 7 1 1 A 42 42 ASN CA C 42 52.812 55.122 -2.310 1
1 453 . 7 1 1 A 42 42 ASN CB C 42 39.180 38.242 0.938 1
1 458 . 7 1 1 A 44 44 LYS CB C 44 35.364 30.084 5.280 1
1 460 . 7 1 1 A 46 46 MET H H 46 8.285 7.691 0.594 1
1 461 . 7 1 1 A 46 46 MET HA H 46 4.218 4.836 -0.618 1
1 466 . 7 1 1 A 46 46 MET CA C 46 56.523 54.602 1.921 1
1 467 . 7 1 1 A 46 46 MET CB C 46 33.665 35.764 -2.099 1
1 469 . 7 1 1 A 47 47 TYR H H 47 7.965 8.856 -0.891 1
1 470 . 7 1 1 A 47 47 TYR HA H 47 4.935 4.462 0.473 1
1 477 . 7 1 1 A 47 47 TYR CA C 47 55.861 58.373 -2.512 1
1 478 . 7 1 1 A 47 47 TYR CB C 47 38.476 38.660 -0.184 1
1 483 . 7 1 1 A 47 47 TYR N N 47 117.521 124.746 -7.225 1
1 484 . 7 1 1 A 49 49 LYS H H 49 8.704 8.395 0.309 1
1 485 . 7 1 1 A 49 49 LYS HA H 49 4.369 5.045 -0.676 1
1 494 . 7 1 1 A 49 49 LYS CA C 49 54.891 54.966 -0.075 1
1 495 . 7 1 1 A 49 49 LYS CB C 49 32.501 36.970 -4.469 1
1 499 . 7 1 1 A 50 50 GLY H H 50 6.985 8.407 -1.422 1
1 500 . 7 1 1 A 50 50 GLY HA2 H 50 3.825 3.794 0.031 1
1 501 . 7 1 1 A 50 50 GLY HA3 H 50 3.265 4.119 -0.854 1
1 502 . 7 1 1 A 50 50 GLY C C 50 170.241 172.047 -1.806 1
1 503 . 7 1 1 A 50 50 GLY CA C 50 45.039 45.319 -0.280 1
1 504 . 7 1 1 A 50 50 GLY N N 50 108.097 108.113 -0.016 1
1 505 . 7 1 1 A 51 51 ILE H H 51 7.890 8.884 -0.994 1
1 506 . 7 1 1 A 51 51 ILE HA H 51 4.777 5.107 -0.330 1
1 516 . 7 1 1 A 51 51 ILE C C 51 175.026 173.094 1.932 1
1 517 . 7 1 1 A 51 51 ILE CA C 51 60.217 59.178 1.039 1
1 518 . 7 1 1 A 51 51 ILE CB C 51 42.388 42.018 0.370 1
1 522 . 7 1 1 A 51 51 ILE N N 51 117.769 124.843 -7.074 1
1 523 . 7 1 1 A 52 52 ILE H H 52 9.485 9.218 0.267 1
1 524 . 7 1 1 A 52 52 ILE HA H 52 4.533 4.616 -0.083 1
1 534 . 7 1 1 A 52 52 ILE C C 52 173.526 174.522 -0.996 1
1 535 . 7 1 1 A 52 52 ILE CA C 52 57.983 57.666 0.317 1
1 536 . 7 1 1 A 52 52 ILE CB C 52 40.324 39.819 0.505 1
1 540 . 7 1 1 A 52 52 ILE N N 52 127.899 127.952 -0.053 1
1 541 . 7 1 1 A 53 53 PRO HA H 53 4.501 4.741 -0.240 1
1 548 . 7 1 1 A 53 53 PRO C C 53 177.663 178.072 -0.409 1
1 549 . 7 1 1 A 53 53 PRO CA C 53 62.838 62.957 -0.119 1
1 550 . 7 1 1 A 53 53 PRO CB C 53 31.939 31.871 0.068 1
1 553 . 7 1 1 A 54 54 LEU H H 54 8.647 8.663 -0.016 1
1 554 . 7 1 1 A 54 54 LEU HA H 54 3.985 4.221 -0.236 1
1 564 . 7 1 1 A 54 54 LEU C C 54 178.940 177.779 1.161 1
1 565 . 7 1 1 A 54 54 LEU CA C 54 58.371 57.961 0.410 1
1 566 . 7 1 1 A 54 54 LEU CB C 54 42.388 41.479 0.909 1
1 570 . 7 1 1 A 54 54 LEU N N 54 124.847 127.099 -2.252 1
1 571 . 7 1 1 A 55 55 SER H H 55 8.278 8.185 0.093 1
1 572 . 7 1 1 A 55 55 SER HA H 55 4.169 4.054 0.115 1
1 575 . 7 1 1 A 55 55 SER C C 55 174.956 176.997 -2.041 1
1 576 . 7 1 1 A 55 55 SER CA C 55 59.971 61.638 -1.667 1
1 577 . 7 1 1 A 55 55 SER CB C 55 62.721 62.929 -0.208 1
1 578 . 7 1 1 A 55 55 SER N N 55 109.639 114.419 -4.780 1
1 579 . 7 1 1 A 56 56 ALA H H 56 7.796 7.759 0.037 1
1 580 . 7 1 1 A 56 56 ALA HA H 56 4.545 4.129 0.416 1
1 584 . 7 1 1 A 56 56 ALA C C 56 177.505 178.727 -1.222 1
1 585 . 7 1 1 A 56 56 ALA CA C 56 52.022 55.380 -3.358 1
1 586 . 7 1 1 A 56 56 ALA CB C 56 20.240 18.496 1.744 1
1 587 . 7 1 1 A 56 56 ALA N N 56 123.057 121.873 1.184 1
1 588 . 7 1 1 A 57 57 ILE H H 57 7.664 7.240 0.424 1
1 589 . 7 1 1 A 57 57 ILE HA H 57 4.035 4.160 -0.125 1
1 599 . 7 1 1 A 57 57 ILE C C 57 175.285 176.107 -0.822 1
1 600 . 7 1 1 A 57 57 ILE CA C 57 62.697 62.654 0.043 1
1 601 . 7 1 1 A 57 57 ILE CB C 57 38.474 37.846 0.628 1
1 605 . 7 1 1 A 57 57 ILE N N 57 119.512 118.661 0.851 1
1 606 . 7 1 1 A 58 58 SER H H 58 9.364 9.361 0.003 1
1 607 . 7 1 1 A 58 58 SER HA H 58 4.526 4.552 -0.026 1
1 610 . 7 1 1 A 58 58 SER C C 58 175.125 173.743 1.382 1
1 611 . 7 1 1 A 58 58 SER CA C 58 59.215 60.164 -0.949 1
1 612 . 7 1 1 A 58 58 SER CB C 58 63.590 63.891 -0.301 1
1 613 . 7 1 1 A 58 58 SER N N 58 122.513 123.901 -1.388 1
1 614 . 7 1 1 A 59 59 THR H H 59 7.502 7.615 -0.113 1
1 615 . 7 1 1 A 59 59 THR HA H 59 4.355 4.638 -0.283 1
1 620 . 7 1 1 A 59 59 THR C C 59 170.784 171.700 -0.916 1
1 621 . 7 1 1 A 59 59 THR CA C 59 61.132 61.337 -0.205 1
1 622 . 7 1 1 A 59 59 THR CB C 59 68.686 71.402 -2.716 1
1 624 . 7 1 1 A 59 59 THR N N 59 112.470 113.116 -0.646 1
1 625 . 7 1 1 A 60 60 VAL H H 60 7.766 8.894 -1.128 1
1 626 . 7 1 1 A 60 60 VAL HA H 60 5.326 5.113 0.213 1
1 634 . 7 1 1 A 60 60 VAL C C 60 174.166 174.467 -0.301 1
1 635 . 7 1 1 A 60 60 VAL CA C 60 60.410 60.955 -0.545 1
1 636 . 7 1 1 A 60 60 VAL CB C 60 34.979 33.799 1.180 1
1 639 . 7 1 1 A 60 60 VAL N N 60 121.276 126.911 -5.635 1
1 640 . 7 1 1 A 61 61 ARG H H 61 8.941 8.929 0.012 1
1 641 . 7 1 1 A 61 61 ARG HA H 61 5.053 5.072 -0.019 1
1 648 . 7 1 1 A 61 61 ARG C C 61 175.460 174.847 0.613 1
1 649 . 7 1 1 A 61 61 ARG CA C 61 54.166 53.981 0.185 1
1 650 . 7 1 1 A 61 61 ARG CB C 61 34.000 34.129 -0.129 1
1 653 . 7 1 1 A 61 61 ARG N N 61 121.101 124.261 -3.160 1
1 654 . 7 1 1 A 62 62 VAL H H 62 8.627 8.684 -0.057 1
1 655 . 7 1 1 A 62 62 VAL HA H 62 4.195 4.927 -0.732 1
1 663 . 7 1 1 A 62 62 VAL C C 62 175.216 175.415 -0.199 1
1 664 . 7 1 1 A 62 62 VAL CA C 62 62.926 60.509 2.417 1
1 665 . 7 1 1 A 62 62 VAL CB C 62 33.459 33.584 -0.125 1
1 668 . 7 1 1 A 62 62 VAL N N 62 118.451 116.075 2.376 1
1 669 . 7 1 1 A 63 63 GLN H H 63 7.628 8.925 -1.297 1
1 670 . 7 1 1 A 63 63 GLN HA H 63 4.575 4.664 -0.089 1
1 677 . 7 1 1 A 63 63 GLN C C 63 174.418 177.604 -3.186 1
1 678 . 7 1 1 A 63 63 GLN CA C 63 55.451 54.270 1.181 1
1 679 . 7 1 1 A 63 63 GLN CB C 63 32.062 30.437 1.625 1
1 681 . 7 1 1 A 63 63 GLN N N 63 123.160 123.973 -0.813 1
1 683 . 7 1 1 A 64 64 GLY H H 64 8.678 8.751 -0.073 1
1 684 . 7 1 1 A 64 64 GLY HA2 H 64 4.025 3.789 0.236 1
1 685 . 7 1 1 A 64 64 GLY HA3 H 64 3.895 3.791 0.104 1
1 686 . 7 1 1 A 64 64 GLY C C 64 174.592 174.809 -0.217 1
1 687 . 7 1 1 A 64 64 GLY CA C 64 45.531 47.424 -1.893 1
1 688 . 7 1 1 A 64 64 GLY N N 64 112.406 110.227 2.179 1
1 689 . 7 1 1 A 65 65 ASP HA H 65 4.625 4.594 0.031 1
1 692 . 7 1 1 A 65 65 ASP C C 65 176.902 176.147 0.755 1
1 693 . 7 1 1 A 65 65 ASP CA C 65 55.486 53.809 1.677 1
1 694 . 7 1 1 A 65 65 ASP CB C 65 40.817 41.768 -0.951 1
1 695 . 7 1 1 A 66 66 ASN H H 66 7.979 8.703 -0.724 1
1 696 . 7 1 1 A 66 66 ASN HA H 66 4.554 4.830 -0.276 1
1 701 . 7 1 1 A 66 66 ASN C C 66 174.456 173.658 0.798 1
1 702 . 7 1 1 A 66 66 ASN CA C 66 52.795 52.939 -0.144 1
1 703 . 7 1 1 A 66 66 ASN CB C 66 37.981 36.403 1.578 1
1 704 . 7 1 1 A 66 66 ASN N N 66 112.071 120.325 -8.254 1
1 706 . 7 1 1 A 67 67 LYS H H 67 7.476 8.181 -0.705 1
1 707 . 7 1 1 A 67 67 LYS HA H 67 5.914 5.047 0.867 1
1 716 . 7 1 1 A 67 67 LYS C C 67 177.922 175.361 2.561 1
1 717 . 7 1 1 A 67 67 LYS CA C 67 54.906 54.651 0.255 1
1 718 . 7 1 1 A 67 67 LYS CB C 67 36.707 37.135 -0.428 1
1 722 . 7 1 1 A 67 67 LYS N N 67 115.613 119.875 -4.262 1
1 723 . 7 1 1 A 68 68 PHE H H 68 9.227 8.381 0.846 1
1 724 . 7 1 1 A 68 68 PHE HA H 68 5.296 5.177 0.119 1
1 732 . 7 1 1 A 68 68 PHE C C 68 171.230 172.009 -0.779 1
1 733 . 7 1 1 A 68 68 PHE CA C 68 56.576 56.025 0.551 1
1 734 . 7 1 1 A 68 68 PHE CB C 68 42.790 41.632 1.158 1
1 740 . 7 1 1 A 68 68 PHE N N 68 117.009 117.095 -0.086 1
1 741 . 7 1 1 A 69 69 GLU H H 69 9.527 8.903 0.624 1
1 742 . 7 1 1 A 69 69 GLU HA H 69 5.434 5.000 0.434 1
1 747 . 7 1 1 A 69 69 GLU C C 69 175.659 175.481 0.178 1
1 748 . 7 1 1 A 69 69 GLU CA C 69 53.429 54.640 -1.211 1
1 749 . 7 1 1 A 69 69 GLU CB C 69 33.460 33.336 0.124 1
1 751 . 7 1 1 A 69 69 GLU N N 69 119.470 120.201 -0.731 1
1 752 . 7 1 1 A 70 70 VAL H H 70 9.486 8.923 0.563 1
1 753 . 7 1 1 A 70 70 VAL HA H 70 4.486 4.555 -0.069 1
1 761 . 7 1 1 A 70 70 VAL C C 70 174.403 175.599 -1.196 1
1 762 . 7 1 1 A 70 70 VAL CA C 70 62.240 61.559 0.681 1
1 763 . 7 1 1 A 70 70 VAL CB C 70 33.706 32.169 1.537 1
1 766 . 7 1 1 A 70 70 VAL N N 70 123.935 125.384 -1.449 1
1 767 . 7 1 1 A 71 71 VAL H H 71 8.658 8.440 0.218 1
1 768 . 7 1 1 A 71 71 VAL HA H 71 4.345 4.173 0.172 1
1 776 . 7 1 1 A 71 71 VAL C C 71 175.524 175.711 -0.187 1
1 777 . 7 1 1 A 71 71 VAL CA C 71 63.365 63.369 -0.004 1
1 778 . 7 1 1 A 71 71 VAL CB C 71 32.802 31.964 0.838 1
1 781 . 7 1 1 A 71 71 VAL N N 71 129.195 128.171 1.024 1
1 782 . 7 1 1 A 72 72 THR H H 72 8.134 8.391 -0.257 1
1 783 . 7 1 1 A 72 72 THR HA H 72 5.515 5.219 0.296 1
1 788 . 7 1 1 A 72 72 THR C C 72 174.609 175.248 -0.639 1
1 789 . 7 1 1 A 72 72 THR CA C 72 59.496 59.331 0.165 1
1 790 . 7 1 1 A 72 72 THR CB C 72 72.139 72.769 -0.630 1
1 792 . 7 1 1 A 72 72 THR N N 72 117.639 117.759 -0.120 1
1 793 . 7 1 1 A 73 73 THR H H 73 8.944 9.179 -0.235 1
1 794 . 7 1 1 A 73 73 THR HA H 73 3.966 3.934 0.032 1
1 799 . 7 1 1 A 73 73 THR C C 73 175.783 176.456 -0.673 1
1 800 . 7 1 1 A 73 73 THR CA C 73 65.880 66.526 -0.646 1
1 801 . 7 1 1 A 73 73 THR CB C 73 68.604 68.668 -0.064 1
1 803 . 7 1 1 A 73 73 THR N N 73 114.027 117.256 -3.229 1
1 804 . 7 1 1 A 74 74 GLN H H 74 7.997 7.847 0.150 1
1 805 . 7 1 1 A 74 74 GLN HA H 74 4.350 4.268 0.082 1
1 812 . 7 1 1 A 74 74 GLN C C 74 175.698 176.273 -0.575 1
1 813 . 7 1 1 A 74 74 GLN CA C 74 56.910 58.018 -1.108 1
1 814 . 7 1 1 A 74 74 GLN CB C 74 30.624 29.561 1.063 1
1 816 . 7 1 1 A 74 74 GLN N N 74 115.670 118.833 -3.163 1
1 818 . 7 1 1 A 75 75 ARG H H 75 7.366 7.368 -0.002 1
1 819 . 7 1 1 A 75 75 ARG HA H 75 4.395 4.644 -0.249 1
1 826 . 7 1 1 A 75 75 ARG C C 75 174.546 174.876 -0.330 1
1 827 . 7 1 1 A 75 75 ARG CA C 75 55.802 54.944 0.858 1
1 828 . 7 1 1 A 75 75 ARG CB C 75 32.514 33.252 -0.738 1
1 831 . 7 1 1 A 75 75 ARG N N 75 115.650 113.155 2.495 1
1 832 . 7 1 1 A 76 76 THR H H 76 8.679 8.560 0.119 1
1 833 . 7 1 1 A 76 76 THR HA H 76 5.065 4.344 0.721 1
1 838 . 7 1 1 A 76 76 THR C C 76 173.239 174.343 -1.104 1
1 839 . 7 1 1 A 76 76 THR CA C 76 61.888 64.082 -2.194 1
1 840 . 7 1 1 A 76 76 THR CB C 76 69.878 69.407 0.471 1
1 842 . 7 1 1 A 76 76 THR N N 76 120.285 117.464 2.821 1
1 843 . 7 1 1 A 77 77 PHE H H 77 9.156 9.082 0.074 1
1 844 . 7 1 1 A 77 77 PHE HA H 77 4.385 5.037 -0.652 1
1 852 . 7 1 1 A 77 77 PHE C C 77 174.028 174.666 -0.638 1
1 853 . 7 1 1 A 77 77 PHE CA C 77 56.822 55.692 1.130 1
1 854 . 7 1 1 A 77 77 PHE CB C 77 41.640 42.446 -0.806 1
1 860 . 7 1 1 A 77 77 PHE N N 77 127.212 125.907 1.305 1
1 861 . 7 1 1 A 78 78 VAL H H 78 8.374 8.119 0.255 1
1 862 . 7 1 1 A 78 78 VAL HA H 78 4.506 4.465 0.041 1
1 870 . 7 1 1 A 78 78 VAL C C 78 173.264 174.393 -1.129 1
1 871 . 7 1 1 A 78 78 VAL CA C 78 61.730 61.139 0.591 1
1 872 . 7 1 1 A 78 78 VAL CB C 78 33.254 34.183 -0.929 1
1 875 . 7 1 1 A 78 78 VAL N N 78 123.393 119.233 4.160 1
1 876 . 7 1 1 A 79 79 PHE H H 79 8.458 8.152 0.306 1
1 877 . 7 1 1 A 79 79 PHE HA H 79 5.403 4.950 0.453 1
1 885 . 7 1 1 A 79 79 PHE C C 79 173.855 174.611 -0.756 1
1 886 . 7 1 1 A 79 79 PHE CA C 79 55.151 55.413 -0.262 1
1 887 . 7 1 1 A 79 79 PHE CB C 79 42.913 42.159 0.754 1
1 893 . 7 1 1 A 79 79 PHE N N 79 123.801 124.597 -0.796 1
1 894 . 7 1 1 A 80 80 ARG H H 80 9.407 8.892 0.515 1
1 895 . 7 1 1 A 80 80 ARG HA H 80 5.134 5.182 -0.048 1
1 902 . 7 1 1 A 80 80 ARG C C 80 174.634 175.641 -1.007 1
1 903 . 7 1 1 A 80 80 ARG CA C 80 54.431 54.432 -0.001 1
1 904 . 7 1 1 A 80 80 ARG CB C 80 35.227 33.052 2.175 1
1 907 . 7 1 1 A 80 80 ARG N N 80 121.570 120.781 0.789 1
1 908 . 7 1 1 A 81 81 VAL H H 81 8.544 8.620 -0.076 1
1 909 . 7 1 1 A 81 81 VAL HA H 81 4.708 4.885 -0.177 1
1 917 . 7 1 1 A 81 81 VAL C C 81 175.050 175.546 -0.496 1
1 918 . 7 1 1 A 81 81 VAL CA C 81 59.602 59.179 0.423 1
1 919 . 7 1 1 A 81 81 VAL CB C 81 33.706 34.672 -0.966 1
1 922 . 7 1 1 A 81 81 VAL N N 81 122.128 113.271 8.857 1
1 923 . 7 1 1 A 82 82 GLU H H 82 8.549 9.178 -0.629 1
1 924 . 7 1 1 A 82 82 GLU HA H 82 4.132 4.646 -0.514 1
1 929 . 7 1 1 A 82 82 GLU C C 82 176.909 176.400 0.509 1
1 930 . 7 1 1 A 82 82 GLU CA C 82 58.973 57.149 1.824 1
1 931 . 7 1 1 A 82 82 GLU CB C 82 30.582 31.885 -1.303 1
1 933 . 7 1 1 A 82 82 GLU N N 82 121.776 120.081 1.695 1
1 934 . 7 1 1 A 83 83 LYS H H 83 7.618 7.588 0.030 1
1 935 . 7 1 1 A 83 83 LYS HA H 83 4.708 4.811 -0.103 1
1 944 . 7 1 1 A 83 83 LYS C C 83 176.665 176.423 0.242 1
1 945 . 7 1 1 A 83 83 LYS CA C 83 54.694 54.485 0.209 1
1 946 . 7 1 1 A 83 83 LYS CB C 83 34.775 36.793 -2.018 1
1 950 . 7 1 1 A 83 83 LYS N N 83 115.778 117.553 -1.775 1
1 951 . 7 1 1 A 84 84 GLU H H 84 9.150 8.836 0.314 1
1 952 . 7 1 1 A 84 84 GLU HA H 84 3.953 3.976 -0.023 1
1 957 . 7 1 1 A 84 84 GLU C C 84 178.243 177.680 0.563 1
1 958 . 7 1 1 A 84 84 GLU CA C 84 60.217 59.928 0.289 1
1 959 . 7 1 1 A 84 84 GLU CB C 84 29.843 29.558 0.285 1
1 961 . 7 1 1 A 84 84 GLU N N 84 127.798 123.086 4.712 1
1 962 . 7 1 1 A 85 85 GLU H H 85 9.626 8.232 1.394 1
1 963 . 7 1 1 A 85 85 GLU HA H 85 4.100 4.063 0.037 1
1 968 . 7 1 1 A 85 85 GLU C C 85 178.948 178.735 0.213 1
1 969 . 7 1 1 A 85 85 GLU CA C 85 59.847 59.526 0.321 1
1 970 . 7 1 1 A 85 85 GLU CB C 85 28.897 29.140 -0.243 1
1 972 . 7 1 1 A 85 85 GLU N N 85 117.844 119.010 -1.166 1
1 973 . 7 1 1 A 86 86 GLU H H 86 7.257 8.159 -0.902 1
1 974 . 7 1 1 A 86 86 GLU HA H 86 4.365 3.982 0.383 1
1 979 . 7 1 1 A 86 86 GLU C C 86 178.607 178.784 -0.177 1
1 980 . 7 1 1 A 86 86 GLU CA C 86 58.089 59.233 -1.144 1
1 981 . 7 1 1 A 86 86 GLU CB C 86 30.212 29.396 0.816 1
1 983 . 7 1 1 A 86 86 GLU N N 86 118.075 118.893 -0.818 1
1 984 . 7 1 1 A 87 87 ARG H H 87 7.919 7.699 0.220 1
1 985 . 7 1 1 A 87 87 ARG HA H 87 3.838 4.013 -0.175 1
1 992 . 7 1 1 A 87 87 ARG C C 87 177.977 178.659 -0.682 1
1 993 . 7 1 1 A 87 87 ARG CA C 87 60.815 59.619 1.196 1
1 994 . 7 1 1 A 87 87 ARG CB C 87 28.856 30.283 -1.427 1
1 997 . 7 1 1 A 87 87 ARG N N 87 121.287 121.206 0.081 1
1 998 . 7 1 1 A 88 88 ASN H H 88 8.421 7.804 0.617 1
1 999 . 7 1 1 A 88 88 ASN HA H 88 4.295 4.483 -0.188 1
1 1004 . 7 1 1 A 88 88 ASN C C 88 177.423 177.750 -0.327 1
1 1005 . 7 1 1 A 88 88 ASN CA C 88 55.627 56.063 -0.436 1
1 1006 . 7 1 1 A 88 88 ASN CB C 88 37.136 38.156 -1.020 1
1 1007 . 7 1 1 A 88 88 ASN N N 88 116.926 117.111 -0.185 1
1 1009 . 7 1 1 A 89 89 ASP H H 89 7.790 8.009 -0.219 1
1 1010 . 7 1 1 A 89 89 ASP HA H 89 4.389 4.241 0.148 1
1 1013 . 7 1 1 A 89 89 ASP C C 89 177.683 178.649 -0.966 1
1 1014 . 7 1 1 A 89 89 ASP CA C 89 57.737 56.869 0.868 1
1 1015 . 7 1 1 A 89 89 ASP CB C 89 41.352 40.310 1.042 1
1 1016 . 7 1 1 A 89 89 ASP N N 89 121.867 119.175 2.692 1
1 1017 . 7 1 1 A 90 90 TRP H H 90 7.690 8.338 -0.648 1
1 1018 . 7 1 1 A 90 90 TRP HA H 90 3.666 4.242 -0.576 1
1 1027 . 7 1 1 A 90 90 TRP C C 90 177.880 178.854 -0.974 1
1 1028 . 7 1 1 A 90 90 TRP CA C 90 61.704 59.954 1.750 1
1 1029 . 7 1 1 A 90 90 TRP CB C 90 29.594 29.080 0.514 1
1 1035 . 7 1 1 A 90 90 TRP N N 90 117.617 118.840 -1.223 1
1 1037 . 7 1 1 A 91 91 ILE H H 91 7.654 7.652 0.002 1
1 1038 . 7 1 1 A 91 91 ILE HA H 91 3.275 3.585 -0.310 1
1 1048 . 7 1 1 A 91 91 ILE C C 91 177.138 178.005 -0.867 1
1 1049 . 7 1 1 A 91 91 ILE CA C 91 65.001 63.983 1.018 1
1 1050 . 7 1 1 A 91 91 ILE CB C 91 36.913 37.372 -0.459 1
1 1054 . 7 1 1 A 91 91 ILE N N 91 114.248 119.998 -5.750 1
1 1055 . 7 1 1 A 92 92 SER H H 92 8.055 8.259 -0.204 1
1 1056 . 7 1 1 A 92 92 SER HA H 92 4.045 4.097 -0.052 1
1 1059 . 7 1 1 A 92 92 SER C C 92 177.204 176.433 0.771 1
1 1060 . 7 1 1 A 92 92 SER CA C 92 61.923 62.491 -0.568 1
1 1061 . 7 1 1 A 92 92 SER CB C 92 62.767 62.663 0.104 1
1 1062 . 7 1 1 A 92 92 SER N N 92 114.018 115.803 -1.785 1
1 1063 . 7 1 1 A 93 93 ILE H H 93 7.926 8.203 -0.277 1
1 1064 . 7 1 1 A 93 93 ILE HA H 93 3.795 3.677 0.118 1
1 1074 . 7 1 1 A 93 93 ILE C C 93 178.947 177.721 1.226 1
1 1075 . 7 1 1 A 93 93 ILE CA C 93 64.825 64.901 -0.076 1
1 1076 . 7 1 1 A 93 93 ILE CB C 93 37.693 37.887 -0.194 1
1 1080 . 7 1 1 A 93 93 ILE N N 93 120.974 121.324 -0.350 1
1 1081 . 7 1 1 A 94 94 LEU H H 94 7.678 7.722 -0.044 1
1 1082 . 7 1 1 A 94 94 LEU HA H 94 3.634 3.725 -0.091 1
1 1092 . 7 1 1 A 94 94 LEU C C 94 178.551 178.889 -0.338 1
1 1093 . 7 1 1 A 94 94 LEU CA C 94 57.861 57.933 -0.072 1
1 1094 . 7 1 1 A 94 94 LEU CB C 94 42.356 41.761 0.595 1
1 1098 . 7 1 1 A 94 94 LEU N N 94 121.223 119.032 2.191 1
1 1099 . 7 1 1 A 95 95 LEU H H 95 8.954 8.208 0.746 1
1 1100 . 7 1 1 A 95 95 LEU HA H 95 4.037 3.882 0.155 1
1 1110 . 7 1 1 A 95 95 LEU C C 95 180.858 179.085 1.773 1
1 1111 . 7 1 1 A 95 95 LEU CA C 95 58.194 58.121 0.073 1
1 1112 . 7 1 1 A 95 95 LEU CB C 95 41.286 41.663 -0.377 1
1 1116 . 7 1 1 A 95 95 LEU N N 95 118.177 118.113 0.064 1
1 1117 . 7 1 1 A 96 96 ASN H H 96 8.235 8.165 0.070 1
1 1118 . 7 1 1 A 96 96 ASN HA H 96 4.445 4.414 0.031 1
1 1123 . 7 1 1 A 96 96 ASN C C 96 177.901 177.278 0.623 1
1 1124 . 7 1 1 A 96 96 ASN CA C 96 56.347 56.843 -0.496 1
1 1125 . 7 1 1 A 96 96 ASN CB C 96 38.105 39.810 -1.705 1
1 1126 . 7 1 1 A 96 96 ASN N N 96 117.502 116.903 0.599 1
1 1128 . 7 1 1 A 97 97 ALA H H 97 7.756 7.766 -0.010 1
1 1129 . 7 1 1 A 97 97 ALA HA H 97 4.305 4.205 0.100 1
1 1133 . 7 1 1 A 97 97 ALA C C 97 180.315 178.916 1.399 1
1 1134 . 7 1 1 A 97 97 ALA CA C 97 54.906 54.270 0.636 1
1 1135 . 7 1 1 A 97 97 ALA CB C 97 19.214 18.587 0.627 1
1 1136 . 7 1 1 A 97 97 ALA N N 97 123.457 120.958 2.499 1
1 1137 . 7 1 1 A 98 98 LEU H H 98 8.335 7.853 0.482 1
1 1138 . 7 1 1 A 98 98 LEU HA H 98 4.055 4.181 -0.126 1
1 1148 . 7 1 1 A 98 98 LEU C C 98 179.542 179.349 0.193 1
1 1149 . 7 1 1 A 98 98 LEU CA C 98 57.578 57.161 0.417 1
1 1150 . 7 1 1 A 98 98 LEU CB C 98 42.174 41.954 0.220 1
1 1154 . 7 1 1 A 98 98 LEU N N 98 119.610 117.824 1.786 1
1 1155 . 7 1 1 A 99 99 LYS H H 99 7.969 8.218 -0.249 1
1 1156 . 7 1 1 A 99 99 LYS HA H 99 4.203 4.079 0.124 1
1 1165 . 7 1 1 A 99 99 LYS C C 99 178.392 178.683 -0.291 1
1 1166 . 7 1 1 A 99 99 LYS CA C 99 58.563 58.807 -0.244 1
1 1167 . 7 1 1 A 99 99 LYS CB C 99 32.267 31.852 0.415 1
1 1171 . 7 1 1 A 99 99 LYS N N 99 119.323 118.885 0.438 1
1 1172 . 7 1 1 A 100 100 SER H H 100 7.854 7.559 0.295 1
1 1173 . 7 1 1 A 100 100 SER HA H 100 4.404 4.105 0.299 1
1 1176 . 7 1 1 A 100 100 SER C C 100 175.449 177.370 -1.921 1
1 1177 . 7 1 1 A 100 100 SER CA C 100 60.076 61.507 -1.431 1
1 1178 . 7 1 1 A 100 100 SER CB C 100 63.600 62.888 0.712 1
1 1179 . 7 1 1 A 100 100 SER N N 100 114.116 115.056 -0.940 1
1 1180 . 7 1 1 A 101 101 GLN H H 101 7.863 8.074 -0.211 1
1 1181 . 7 1 1 A 101 101 GLN HA H 101 4.294 4.021 0.273 1
1 1188 . 7 1 1 A 101 101 GLN C C 101 176.613 178.311 -1.698 1
1 1189 . 7 1 1 A 101 101 GLN CA C 101 57.121 59.304 -2.183 1
1 1190 . 7 1 1 A 101 101 GLN CB C 101 29.761 28.168 1.593 1
1 1192 . 7 1 1 A 101 101 GLN N N 101 120.923 122.268 -1.345 1
1 1194 . 7 1 1 A 102 102 SER H H 102 8.170 7.943 0.227 1
1 1195 . 7 1 1 A 102 102 SER HA H 102 4.445 4.187 0.258 1
1 1198 . 7 1 1 A 102 102 SER C C 102 175.030 175.077 -0.047 1
1 1199 . 7 1 1 A 102 102 SER CA C 102 59.162 61.709 -2.547 1
1 1200 . 7 1 1 A 102 102 SER CB C 102 63.466 63.105 0.361 1
1 1201 . 7 1 1 A 102 102 SER N N 102 115.689 115.161 0.528 1
1 1202 . 7 1 1 A 103 103 LEU H H 103 8.111 7.727 0.384 1
1 1203 . 7 1 1 A 103 103 LEU HA H 103 4.400 4.232 0.168 1
1 1213 . 7 1 1 A 103 103 LEU C C 103 178.263 176.847 1.416 1
1 1214 . 7 1 1 A 103 103 LEU CA C 103 55.908 55.324 0.584 1
1 1215 . 7 1 1 A 103 103 LEU CB C 103 42.215 42.138 0.077 1
1 1219 . 7 1 1 A 103 103 LEU N N 103 123.252 121.274 1.978 1
1 1220 . 7 1 1 A 104 104 THR H H 104 8.064 8.310 -0.246 1
1 1221 . 7 1 1 A 104 104 THR HA H 104 4.354 4.284 0.070 1
1 1226 . 7 1 1 A 104 104 THR C C 104 175.092 173.587 1.505 1
1 1227 . 7 1 1 A 104 104 THR CA C 104 62.368 63.317 -0.949 1
1 1228 . 7 1 1 A 104 104 THR CB C 104 69.673 69.054 0.619 1
1 1230 . 7 1 1 A 104 104 THR N N 104 113.441 118.359 -4.918 1
1 1231 . 7 1 1 A 105 105 SER H H 105 8.231 8.949 -0.718 1
1 1232 . 7 1 1 A 105 105 SER C C 105 177.959 173.413 4.546 1
1 1233 . 7 1 1 A 105 105 SER CA C 105 58.406 57.420 0.986 1
1 1234 . 7 1 1 A 105 105 SER CB C 105 63.507 67.036 -3.529 1
1 1235 . 7 1 1 A 105 105 SER N N 105 117.638 124.614 -6.976 1
1 1236 . 7 1 1 A 106 106 GLN HA H 106 4.365 4.391 -0.026 1
1 1239 . 7 1 1 A 106 106 GLN C C 106 176.322 175.095 1.227 1
1 1240 . 7 1 1 A 106 106 GLN CA C 106 56.189 55.869 0.320 1
1 1241 . 7 1 1 A 106 106 GLN CB C 106 29.226 28.124 1.102 1
1 1243 . 7 1 1 A 107 107 SER H H 107 8.287 7.700 0.587 1
1 1244 . 7 1 1 A 107 107 SER HA H 107 4.404 4.917 -0.513 1
1 1246 . 7 1 1 A 107 107 SER C C 107 174.687 172.929 1.758 1
1 1247 . 7 1 1 A 107 107 SER CA C 107 58.722 56.290 2.432 1
1 1248 . 7 1 1 A 107 107 SER CB C 107 63.713 64.605 -0.892 1
1 1249 . 7 1 1 A 107 107 SER N N 107 116.578 115.889 0.689 1
1 1250 . 7 1 1 A 108 108 GLN H H 108 8.354 8.749 -0.395 1
1 1251 . 7 1 1 A 108 108 GLN HA H 108 4.349 4.604 -0.255 1
1 1258 . 7 1 1 A 108 108 GLN C C 108 175.798 174.744 1.054 1
1 1259 . 7 1 1 A 108 108 GLN CA C 108 55.820 55.022 0.798 1
1 1260 . 7 1 1 A 108 108 GLN CB C 108 29.432 28.507 0.925 1
1 1262 . 7 1 1 A 108 108 GLN N N 108 122.015 126.592 -4.577 1
1 1264 . 7 1 1 A 109 109 ALA H H 109 8.301 8.436 -0.135 1
1 1265 . 7 1 1 A 109 109 ALA HA H 109 4.345 5.342 -0.997 1
1 1269 . 7 1 1 A 109 109 ALA C C 109 177.749 175.404 2.345 1
1 1270 . 7 1 1 A 109 109 ALA CA C 109 52.672 50.501 2.171 1
1 1271 . 7 1 1 A 109 109 ALA CB C 109 19.237 23.796 -4.559 1
1 1272 . 7 1 1 A 109 109 ALA N N 109 125.243 128.533 -3.290 1
1 1273 . 7 1 1 A 110 110 SER H H 110 8.290 8.694 -0.404 1
1 1274 . 7 1 1 A 110 110 SER HA H 110 4.459 5.124 -0.665 1
1 1277 . 7 1 1 A 110 110 SER C C 110 174.593 173.211 1.382 1
1 1278 . 7 1 1 A 110 110 SER CA C 110 58.248 56.589 1.659 1
1 1279 . 7 1 1 A 110 110 SER CB C 110 63.918 66.300 -2.382 1
1 1280 . 7 1 1 A 110 110 SER N N 110 115.148 112.018 3.130 1
1 1281 . 7 1 1 A 111 111 GLY H H 111 8.199 8.437 -0.238 1
1 1282 . 7 1 1 A 111 111 GLY HA2 H 111 4.167 4.188 -0.021 1
1 1283 . 7 1 1 A 111 111 GLY HA3 H 111 4.094 4.190 -0.096 1
1 1284 . 7 1 1 A 111 111 GLY C C 111 171.782 173.081 -1.299 1
1 1285 . 7 1 1 A 111 111 GLY CA C 111 44.652 44.587 0.065 1
1 1286 . 7 1 1 A 111 111 GLY N N 111 110.586 108.273 2.313 1
1 1287 . 7 1 1 A 112 112 PRO HA H 112 4.471 4.602 -0.131 1
1 1294 . 7 1 1 A 112 112 PRO CA C 112 63.154 62.496 0.658 1
1 1295 . 7 1 1 A 112 112 PRO CB C 112 32.314 33.367 -1.053 1
1 1 . 8 1 1 A 7 7 GLY H H 7 9.055 8.371 0.684 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.908 4.082 -0.174 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 3.968 4.091 -0.123 1
1 4 . 8 1 1 A 7 7 GLY C C 7 173.671 174.619 -0.948 1
1 5 . 8 1 1 A 7 7 GLY CA C 7 45.421 44.676 0.745 1
1 6 . 8 1 1 A 8 8 LYS H H 8 8.145 8.596 -0.451 1
1 7 . 8 1 1 A 8 8 LYS HA H 8 4.345 4.553 -0.208 1
1 16 . 8 1 1 A 8 8 LYS C C 8 175.255 175.453 -0.198 1
1 17 . 8 1 1 A 8 8 LYS CA C 8 56.330 55.661 0.669 1
1 18 . 8 1 1 A 8 8 LYS CB C 8 33.583 33.727 -0.144 1
1 22 . 8 1 1 A 8 8 LYS N N 8 120.101 121.431 -1.330 1
1 23 . 8 1 1 A 9 9 VAL H H 9 7.579 7.446 0.133 1
1 24 . 8 1 1 A 9 9 VAL HA H 9 4.473 4.851 -0.378 1
1 32 . 8 1 1 A 9 9 VAL C C 9 174.860 174.307 0.553 1
1 33 . 8 1 1 A 9 9 VAL CA C 9 59.989 58.421 1.568 1
1 34 . 8 1 1 A 9 9 VAL CB C 9 34.218 36.456 -2.238 1
1 37 . 8 1 1 A 9 9 VAL N N 9 114.437 115.602 -1.165 1
1 38 . 8 1 1 A 10 10 LYS H H 10 8.236 8.564 -0.328 1
1 39 . 8 1 1 A 10 10 LYS HA H 10 4.345 4.535 -0.190 1
1 48 . 8 1 1 A 10 10 LYS C C 10 172.963 174.074 -1.111 1
1 49 . 8 1 1 A 10 10 LYS CA C 10 56.096 55.610 0.486 1
1 50 . 8 1 1 A 10 10 LYS CB C 10 36.131 35.755 0.376 1
1 54 . 8 1 1 A 10 10 LYS N N 10 122.938 121.470 1.468 1
1 55 . 8 1 1 A 11 11 SER H H 11 8.168 8.527 -0.359 1
1 56 . 8 1 1 A 11 11 SER HA H 11 5.669 5.509 0.160 1
1 59 . 8 1 1 A 11 11 SER C C 11 173.281 172.811 0.470 1
1 60 . 8 1 1 A 11 11 SER CA C 11 55.960 56.965 -1.005 1
1 61 . 8 1 1 A 11 11 SER CB C 11 66.326 65.906 0.420 1
1 62 . 8 1 1 A 11 11 SER N N 11 119.068 119.030 0.038 1
1 63 . 8 1 1 A 12 12 GLY H H 12 8.248 7.703 0.545 1
1 64 . 8 1 1 A 12 12 GLY HA2 H 12 4.168 3.608 0.560 1
1 65 . 8 1 1 A 12 12 GLY HA3 H 12 3.478 4.132 -0.654 1
1 66 . 8 1 1 A 12 12 GLY C C 12 170.778 171.029 -0.251 1
1 67 . 8 1 1 A 12 12 GLY CA C 12 45.654 45.647 0.007 1
1 68 . 8 1 1 A 12 12 GLY N N 12 108.756 108.805 -0.049 1
1 69 . 8 1 1 A 13 13 TRP H H 13 8.622 8.455 0.167 1
1 70 . 8 1 1 A 13 13 TRP HA H 13 5.398 5.122 0.276 1
1 79 . 8 1 1 A 13 13 TRP C C 13 177.511 175.708 1.803 1
1 80 . 8 1 1 A 13 13 TRP CA C 13 57.069 56.353 0.716 1
1 81 . 8 1 1 A 13 13 TRP CB C 13 30.295 30.251 0.044 1
1 87 . 8 1 1 A 13 13 TRP N N 13 119.518 120.888 -1.370 1
1 89 . 8 1 1 A 14 14 LEU H H 14 9.524 8.505 1.019 1
1 90 . 8 1 1 A 14 14 LEU HA H 14 4.791 5.212 -0.421 1
1 100 . 8 1 1 A 14 14 LEU C C 14 175.381 175.267 0.114 1
1 101 . 8 1 1 A 14 14 LEU CA C 14 54.096 53.194 0.902 1
1 102 . 8 1 1 A 14 14 LEU CB C 14 47.682 45.011 2.671 1
1 106 . 8 1 1 A 14 14 LEU N N 14 124.165 125.416 -1.251 1
1 107 . 8 1 1 A 15 15 ASP H H 15 8.335 8.335 0.000 1
1 108 . 8 1 1 A 15 15 ASP HA H 15 5.424 5.410 0.014 1
1 111 . 8 1 1 A 15 15 ASP C C 15 175.302 175.082 0.220 1
1 112 . 8 1 1 A 15 15 ASP CA C 15 53.252 53.928 -0.676 1
1 113 . 8 1 1 A 15 15 ASP CB C 15 42.420 41.636 0.784 1
1 114 . 8 1 1 A 15 15 ASP N N 15 120.275 124.381 -4.106 1
1 115 . 8 1 1 A 16 16 LYS H H 16 9.444 9.050 0.394 1
1 116 . 8 1 1 A 16 16 LYS HA H 16 4.781 4.511 0.270 1
1 125 . 8 1 1 A 16 16 LYS C C 16 176.244 175.853 0.391 1
1 126 . 8 1 1 A 16 16 LYS CA C 16 54.782 55.768 -0.986 1
1 127 . 8 1 1 A 16 16 LYS CB C 16 36.666 33.174 3.492 1
1 131 . 8 1 1 A 16 16 LYS N N 16 125.854 125.672 0.182 1
1 132 . 8 1 1 A 17 17 LEU H H 17 8.387 7.818 0.569 1
1 133 . 8 1 1 A 17 17 LEU HA H 17 3.476 3.646 -0.170 1
1 143 . 8 1 1 A 17 17 LEU C C 17 175.840 176.089 -0.249 1
1 144 . 8 1 1 A 17 17 LEU CA C 17 55.715 53.786 1.929 1
1 145 . 8 1 1 A 17 17 LEU CB C 17 41.986 40.373 1.613 1
1 149 . 8 1 1 A 17 17 LEU N N 17 130.736 129.055 1.681 1
1 150 . 8 1 1 A 18 18 SER H H 18 8.378 8.932 -0.554 1
1 151 . 8 1 1 A 18 18 SER HA H 18 4.563 4.307 0.256 1
1 154 . 8 1 1 A 18 18 SER C C 18 172.291 174.700 -2.409 1
1 155 . 8 1 1 A 18 18 SER CA C 18 55.697 62.927 -7.230 1
1 156 . 8 1 1 A 18 18 SER CB C 18 62.885 63.556 -0.671 1
1 157 . 8 1 1 A 18 18 SER N N 18 123.037 121.274 1.763 1
1 158 . 8 1 1 A 19 19 PRO HA H 19 4.414 4.586 -0.172 1
1 165 . 8 1 1 A 19 19 PRO CA C 19 63.946 62.275 1.671 1
1 166 . 8 1 1 A 19 19 PRO CB C 19 32.128 33.049 -0.921 1
1 169 . 8 1 1 A 20 20 GLN H H 20 8.085 8.500 -0.415 1
1 170 . 8 1 1 A 20 20 GLN HA H 20 4.353 4.818 -0.465 1
1 175 . 8 1 1 A 20 20 GLN CA C 20 55.533 54.533 1.000 1
1 176 . 8 1 1 A 20 20 GLN CB C 20 30.130 30.725 -0.595 1
1 178 . 8 1 1 A 20 20 GLN N N 20 119.721 120.686 -0.965 1
1 179 . 8 1 1 A 22 22 LYS H H 22 8.151 8.468 -0.317 1
1 180 . 8 1 1 A 22 22 LYS HA H 22 4.165 4.618 -0.453 1
1 185 . 8 1 1 A 22 22 LYS C C 22 176.016 174.840 1.176 1
1 186 . 8 1 1 A 22 22 LYS CA C 22 56.717 55.739 0.978 1
1 187 . 8 1 1 A 22 22 LYS CB C 22 32.303 31.022 1.281 1
1 191 . 8 1 1 A 23 23 ARG H H 23 8.329 7.850 0.479 1
1 192 . 8 1 1 A 23 23 ARG HA H 23 3.937 4.800 -0.863 1
1 199 . 8 1 1 A 23 23 ARG C C 23 174.937 175.869 -0.932 1
1 200 . 8 1 1 A 23 23 ARG CA C 23 56.436 53.956 2.480 1
1 201 . 8 1 1 A 23 23 ARG CB C 23 29.144 34.929 -5.785 1
1 204 . 8 1 1 A 23 23 ARG N N 23 119.006 120.731 -1.725 1
1 205 . 8 1 1 A 24 24 MET H H 24 7.965 8.448 -0.483 1
1 206 . 8 1 1 A 24 24 MET HA H 24 4.492 4.213 0.279 1
1 209 . 8 1 1 A 24 24 MET C C 24 174.737 176.123 -1.386 1
1 210 . 8 1 1 A 24 24 MET CA C 24 55.134 54.659 0.475 1
1 211 . 8 1 1 A 24 24 MET CB C 24 33.665 31.185 2.480 1
1 213 . 8 1 1 A 24 24 MET N N 24 120.460 120.888 -0.428 1
1 214 . 8 1 1 A 25 25 PHE H H 25 8.593 7.791 0.802 1
1 215 . 8 1 1 A 25 25 PHE HA H 25 4.788 4.157 0.631 1
1 223 . 8 1 1 A 25 25 PHE C C 25 175.712 176.280 -0.568 1
1 224 . 8 1 1 A 25 25 PHE CA C 25 57.421 60.685 -3.264 1
1 225 . 8 1 1 A 25 25 PHE CB C 25 41.890 39.209 2.681 1
1 231 . 8 1 1 A 25 25 PHE N N 25 121.330 124.138 -2.808 1
1 232 . 8 1 1 A 26 26 GLN H H 26 8.758 7.866 0.892 1
1 233 . 8 1 1 A 26 26 GLN HA H 26 4.777 4.678 0.099 1
1 240 . 8 1 1 A 26 26 GLN C C 26 175.149 173.925 1.224 1
1 241 . 8 1 1 A 26 26 GLN CA C 26 53.991 55.558 -1.567 1
1 242 . 8 1 1 A 26 26 GLN CB C 26 32.144 30.962 1.182 1
1 244 . 8 1 1 A 26 26 GLN N N 26 119.081 115.588 3.493 1
1 246 . 8 1 1 A 27 27 LYS H H 27 8.913 8.794 0.119 1
1 247 . 8 1 1 A 27 27 LYS HA H 27 4.933 4.733 0.200 1
1 256 . 8 1 1 A 27 27 LYS C C 27 177.786 175.522 2.264 1
1 257 . 8 1 1 A 27 27 LYS CA C 27 57.843 56.785 1.058 1
1 258 . 8 1 1 A 27 27 LYS CB C 27 32.720 32.951 -0.231 1
1 262 . 8 1 1 A 27 27 LYS N N 27 126.903 127.868 -0.965 1
1 263 . 8 1 1 A 28 28 ARG H H 28 9.847 8.646 1.201 1
1 264 . 8 1 1 A 28 28 ARG HA H 28 5.236 5.106 0.130 1
1 271 . 8 1 1 A 28 28 ARG C C 28 173.319 175.079 -1.760 1
1 272 . 8 1 1 A 28 28 ARG CA C 28 53.481 54.517 -1.036 1
1 273 . 8 1 1 A 28 28 ARG CB C 28 34.405 34.095 0.310 1
1 276 . 8 1 1 A 28 28 ARG N N 28 127.032 125.117 1.915 1
1 277 . 8 1 1 A 29 29 TRP H H 29 8.408 8.580 -0.172 1
1 278 . 8 1 1 A 29 29 TRP HA H 29 4.424 4.476 -0.052 1
1 285 . 8 1 1 A 29 29 TRP C C 29 174.606 174.997 -0.391 1
1 286 . 8 1 1 A 29 29 TRP CA C 29 56.383 58.835 -2.452 1
1 287 . 8 1 1 A 29 29 TRP CB C 29 29.226 29.988 -0.762 1
1 292 . 8 1 1 A 29 29 TRP N N 29 124.511 126.608 -2.097 1
1 293 . 8 1 1 A 30 30 VAL H H 30 8.464 7.978 0.486 1
1 294 . 8 1 1 A 30 30 VAL HA H 30 4.736 4.856 -0.120 1
1 302 . 8 1 1 A 30 30 VAL C C 30 172.903 174.426 -1.523 1
1 303 . 8 1 1 A 30 30 VAL CA C 30 61.219 60.224 0.995 1
1 304 . 8 1 1 A 30 30 VAL CB C 30 32.925 34.649 -1.724 1
1 307 . 8 1 1 A 30 30 VAL N N 30 129.572 127.664 1.908 1
1 308 . 8 1 1 A 31 31 LYS H H 31 9.125 8.194 0.931 1
1 309 . 8 1 1 A 31 31 LYS HA H 31 5.095 5.295 -0.200 1
1 318 . 8 1 1 A 31 31 LYS C C 31 175.396 174.433 0.963 1
1 319 . 8 1 1 A 31 31 LYS CA C 31 54.677 55.286 -0.609 1
1 320 . 8 1 1 A 31 31 LYS CB C 31 37.036 36.711 0.325 1
1 324 . 8 1 1 A 31 31 LYS N N 31 124.358 126.085 -1.727 1
1 325 . 8 1 1 A 32 32 PHE H H 32 9.725 8.647 1.078 1
1 326 . 8 1 1 A 32 32 PHE HA H 32 5.905 5.225 0.680 1
1 334 . 8 1 1 A 32 32 PHE C C 32 174.555 174.102 0.453 1
1 335 . 8 1 1 A 32 32 PHE CA C 32 56.224 56.763 -0.539 1
1 336 . 8 1 1 A 32 32 PHE CB C 32 41.804 42.275 -0.471 1
1 342 . 8 1 1 A 32 32 PHE N N 32 125.979 126.911 -0.932 1
1 343 . 8 1 1 A 33 33 ASP H H 33 7.884 8.201 -0.317 1
1 344 . 8 1 1 A 33 33 ASP HA H 33 4.555 4.621 -0.066 1
1 347 . 8 1 1 A 33 33 ASP C C 33 175.730 175.965 -0.235 1
1 348 . 8 1 1 A 33 33 ASP CA C 33 52.602 53.149 -0.547 1
1 349 . 8 1 1 A 33 33 ASP CB C 33 41.686 41.018 0.668 1
1 350 . 8 1 1 A 33 33 ASP N N 33 126.924 127.747 -0.823 1
1 351 . 8 1 1 A 34 34 GLY H H 34 4.680 6.525 -1.845 1
1 352 . 8 1 1 A 34 34 GLY HA2 H 34 4.252 3.301 0.951 1
1 353 . 8 1 1 A 34 34 GLY HA3 H 34 3.023 3.692 -0.669 1
1 354 . 8 1 1 A 34 34 GLY C C 34 172.363 175.802 -3.439 1
1 355 . 8 1 1 A 34 34 GLY CA C 34 45.672 44.838 0.834 1
1 356 . 8 1 1 A 35 35 LEU H H 35 8.148 8.075 0.073 1
1 357 . 8 1 1 A 35 35 LEU HA H 35 4.623 4.128 0.495 1
1 367 . 8 1 1 A 35 35 LEU C C 35 177.783 176.615 1.168 1
1 368 . 8 1 1 A 35 35 LEU CA C 35 55.978 57.201 -1.223 1
1 369 . 8 1 1 A 35 35 LEU CB C 35 44.352 42.094 2.258 1
1 373 . 8 1 1 A 35 35 LEU N N 35 120.632 120.755 -0.123 1
1 374 . 8 1 1 A 36 36 SER H H 36 9.064 7.703 1.361 1
1 375 . 8 1 1 A 36 36 SER HA H 36 5.059 4.849 0.210 1
1 378 . 8 1 1 A 36 36 SER C C 36 173.878 172.316 1.562 1
1 379 . 8 1 1 A 36 36 SER CA C 36 57.667 57.255 0.412 1
1 380 . 8 1 1 A 36 36 SER CB C 36 66.140 65.388 0.752 1
1 381 . 8 1 1 A 36 36 SER N N 36 115.030 109.620 5.410 1
1 382 . 8 1 1 A 37 37 ILE H H 37 8.981 9.004 -0.023 1
1 383 . 8 1 1 A 37 37 ILE HA H 37 5.055 5.053 0.002 1
1 393 . 8 1 1 A 37 37 ILE C C 37 174.995 174.208 0.787 1
1 394 . 8 1 1 A 37 37 ILE CA C 37 61.061 60.714 0.347 1
1 395 . 8 1 1 A 37 37 ILE CB C 37 39.355 39.373 -0.018 1
1 399 . 8 1 1 A 37 37 ILE N N 37 122.186 123.315 -1.129 1
1 400 . 8 1 1 A 38 38 SER H H 38 9.422 9.012 0.410 1
1 401 . 8 1 1 A 38 38 SER HA H 38 5.297 5.131 0.166 1
1 404 . 8 1 1 A 38 38 SER C C 38 172.177 172.563 -0.386 1
1 405 . 8 1 1 A 38 38 SER CA C 38 56.910 56.995 -0.085 1
1 406 . 8 1 1 A 38 38 SER CB C 38 66.018 64.384 1.634 1
1 407 . 8 1 1 A 38 38 SER N N 38 122.548 124.208 -1.660 1
1 408 . 8 1 1 A 39 39 TYR H H 39 7.649 8.055 -0.406 1
1 409 . 8 1 1 A 39 39 TYR HA H 39 6.025 5.992 0.033 1
1 416 . 8 1 1 A 39 39 TYR C C 39 173.937 173.839 0.098 1
1 417 . 8 1 1 A 39 39 TYR CA C 39 54.144 55.065 -0.921 1
1 418 . 8 1 1 A 39 39 TYR CB C 39 41.722 41.605 0.117 1
1 423 . 8 1 1 A 39 39 TYR N N 39 116.176 123.011 -6.835 1
1 424 . 8 1 1 A 40 40 TYR H H 40 9.647 8.978 0.669 1
1 425 . 8 1 1 A 40 40 TYR HA H 40 5.044 5.179 -0.135 1
1 432 . 8 1 1 A 40 40 TYR CA C 40 56.928 56.740 0.188 1
1 433 . 8 1 1 A 40 40 TYR CB C 40 43.678 43.149 0.529 1
1 438 . 8 1 1 A 40 40 TYR N N 40 118.964 120.497 -1.533 1
1 439 . 8 1 1 A 41 41 ASN H H 41 7.712 8.923 -1.211 1
1 440 . 8 1 1 A 41 41 ASN HA H 41 4.867 5.531 -0.664 1
1 445 . 8 1 1 A 41 41 ASN CB C 41 39.279 41.026 -1.747 1
1 446 . 8 1 1 A 41 41 ASN N N 41 109.731 120.664 -10.933 1
1 448 . 8 1 1 A 42 42 ASN H H 42 9.215 9.329 -0.114 1
1 449 . 8 1 1 A 42 42 ASN HA H 42 4.868 4.395 0.473 1
1 452 . 8 1 1 A 42 42 ASN CA C 42 52.812 57.359 -4.547 1
1 453 . 8 1 1 A 42 42 ASN CB C 42 39.180 38.802 0.378 1
1 458 . 8 1 1 A 44 44 LYS CB C 44 35.364 33.616 1.748 1
1 460 . 8 1 1 A 46 46 MET H H 46 8.285 8.500 -0.215 1
1 461 . 8 1 1 A 46 46 MET HA H 46 4.218 4.767 -0.549 1
1 466 . 8 1 1 A 46 46 MET CA C 46 56.523 54.161 2.362 1
1 467 . 8 1 1 A 46 46 MET CB C 46 33.665 35.047 -1.382 1
1 469 . 8 1 1 A 47 47 TYR H H 47 7.965 8.956 -0.991 1
1 470 . 8 1 1 A 47 47 TYR HA H 47 4.935 4.275 0.660 1
1 477 . 8 1 1 A 47 47 TYR CA C 47 55.861 58.817 -2.956 1
1 478 . 8 1 1 A 47 47 TYR CB C 47 38.476 36.257 2.219 1
1 483 . 8 1 1 A 47 47 TYR N N 47 117.521 124.443 -6.922 1
1 484 . 8 1 1 A 49 49 LYS H H 49 8.704 8.671 0.033 1
1 485 . 8 1 1 A 49 49 LYS HA H 49 4.369 5.230 -0.861 1
1 494 . 8 1 1 A 49 49 LYS CA C 49 54.891 54.926 -0.035 1
1 495 . 8 1 1 A 49 49 LYS CB C 49 32.501 36.941 -4.440 1
1 499 . 8 1 1 A 50 50 GLY H H 50 6.985 8.504 -1.519 1
1 500 . 8 1 1 A 50 50 GLY HA2 H 50 3.825 3.503 0.322 1
1 501 . 8 1 1 A 50 50 GLY HA3 H 50 3.265 4.107 -0.842 1
1 502 . 8 1 1 A 50 50 GLY C C 50 170.241 172.594 -2.353 1
1 503 . 8 1 1 A 50 50 GLY CA C 50 45.039 44.905 0.134 1
1 504 . 8 1 1 A 50 50 GLY N N 50 108.097 110.663 -2.566 1
1 505 . 8 1 1 A 51 51 ILE H H 51 7.890 8.583 -0.693 1
1 506 . 8 1 1 A 51 51 ILE HA H 51 4.777 5.348 -0.571 1
1 516 . 8 1 1 A 51 51 ILE C C 51 175.026 173.130 1.896 1
1 517 . 8 1 1 A 51 51 ILE CA C 51 60.217 58.903 1.314 1
1 518 . 8 1 1 A 51 51 ILE CB C 51 42.388 42.233 0.155 1
1 522 . 8 1 1 A 51 51 ILE N N 51 117.769 124.241 -6.472 1
1 523 . 8 1 1 A 52 52 ILE H H 52 9.485 9.254 0.231 1
1 524 . 8 1 1 A 52 52 ILE HA H 52 4.533 4.737 -0.204 1
1 534 . 8 1 1 A 52 52 ILE C C 52 173.526 174.546 -1.020 1
1 535 . 8 1 1 A 52 52 ILE CA C 52 57.983 57.754 0.229 1
1 536 . 8 1 1 A 52 52 ILE CB C 52 40.324 40.586 -0.262 1
1 540 . 8 1 1 A 52 52 ILE N N 52 127.899 127.708 0.191 1
1 541 . 8 1 1 A 53 53 PRO HA H 53 4.501 4.779 -0.278 1
1 548 . 8 1 1 A 53 53 PRO C C 53 177.663 178.103 -0.440 1
1 549 . 8 1 1 A 53 53 PRO CA C 53 62.838 63.066 -0.228 1
1 550 . 8 1 1 A 53 53 PRO CB C 53 31.939 31.786 0.153 1
1 553 . 8 1 1 A 54 54 LEU H H 54 8.647 8.849 -0.202 1
1 554 . 8 1 1 A 54 54 LEU HA H 54 3.985 4.165 -0.180 1
1 564 . 8 1 1 A 54 54 LEU C C 54 178.940 178.260 0.680 1
1 565 . 8 1 1 A 54 54 LEU CA C 54 58.371 58.101 0.270 1
1 566 . 8 1 1 A 54 54 LEU CB C 54 42.388 41.829 0.559 1
1 570 . 8 1 1 A 54 54 LEU N N 54 124.847 127.125 -2.278 1
1 571 . 8 1 1 A 55 55 SER H H 55 8.278 8.369 -0.091 1
1 572 . 8 1 1 A 55 55 SER HA H 55 4.169 4.375 -0.206 1
1 575 . 8 1 1 A 55 55 SER C C 55 174.956 176.718 -1.762 1
1 576 . 8 1 1 A 55 55 SER CA C 55 59.971 61.084 -1.113 1
1 577 . 8 1 1 A 55 55 SER CB C 55 62.721 62.453 0.268 1
1 578 . 8 1 1 A 55 55 SER N N 55 109.639 114.026 -4.387 1
1 579 . 8 1 1 A 56 56 ALA H H 56 7.796 8.077 -0.281 1
1 580 . 8 1 1 A 56 56 ALA HA H 56 4.545 4.175 0.370 1
1 584 . 8 1 1 A 56 56 ALA C C 56 177.505 178.741 -1.236 1
1 585 . 8 1 1 A 56 56 ALA CA C 56 52.022 55.406 -3.384 1
1 586 . 8 1 1 A 56 56 ALA CB C 56 20.240 18.388 1.852 1
1 587 . 8 1 1 A 56 56 ALA N N 56 123.057 122.421 0.636 1
1 588 . 8 1 1 A 57 57 ILE H H 57 7.664 7.293 0.371 1
1 589 . 8 1 1 A 57 57 ILE HA H 57 4.035 4.383 -0.348 1
1 599 . 8 1 1 A 57 57 ILE C C 57 175.285 176.323 -1.038 1
1 600 . 8 1 1 A 57 57 ILE CA C 57 62.697 62.731 -0.034 1
1 601 . 8 1 1 A 57 57 ILE CB C 57 38.474 37.436 1.038 1
1 605 . 8 1 1 A 57 57 ILE N N 57 119.512 118.468 1.044 1
1 606 . 8 1 1 A 58 58 SER H H 58 9.364 8.999 0.365 1
1 607 . 8 1 1 A 58 58 SER HA H 58 4.526 4.464 0.062 1
1 610 . 8 1 1 A 58 58 SER C C 58 175.125 173.958 1.167 1
1 611 . 8 1 1 A 58 58 SER CA C 58 59.215 60.230 -1.015 1
1 612 . 8 1 1 A 58 58 SER CB C 58 63.590 64.119 -0.529 1
1 613 . 8 1 1 A 58 58 SER N N 58 122.513 123.807 -1.294 1
1 614 . 8 1 1 A 59 59 THR H H 59 7.502 7.490 0.012 1
1 615 . 8 1 1 A 59 59 THR HA H 59 4.355 4.564 -0.209 1
1 620 . 8 1 1 A 59 59 THR C C 59 170.784 171.780 -0.996 1
1 621 . 8 1 1 A 59 59 THR CA C 59 61.132 61.051 0.081 1
1 622 . 8 1 1 A 59 59 THR CB C 59 68.686 70.880 -2.194 1
1 624 . 8 1 1 A 59 59 THR N N 59 112.470 112.599 -0.129 1
1 625 . 8 1 1 A 60 60 VAL H H 60 7.766 8.574 -0.808 1
1 626 . 8 1 1 A 60 60 VAL HA H 60 5.326 4.954 0.372 1
1 634 . 8 1 1 A 60 60 VAL C C 60 174.166 175.060 -0.894 1
1 635 . 8 1 1 A 60 60 VAL CA C 60 60.410 61.058 -0.648 1
1 636 . 8 1 1 A 60 60 VAL CB C 60 34.979 33.870 1.109 1
1 639 . 8 1 1 A 60 60 VAL N N 60 121.276 125.208 -3.932 1
1 640 . 8 1 1 A 61 61 ARG H H 61 8.941 8.855 0.086 1
1 641 . 8 1 1 A 61 61 ARG HA H 61 5.053 5.056 -0.003 1
1 648 . 8 1 1 A 61 61 ARG C C 61 175.460 175.300 0.160 1
1 649 . 8 1 1 A 61 61 ARG CA C 61 54.166 54.356 -0.190 1
1 650 . 8 1 1 A 61 61 ARG CB C 61 34.000 33.626 0.374 1
1 653 . 8 1 1 A 61 61 ARG N N 61 121.101 124.166 -3.065 1
1 654 . 8 1 1 A 62 62 VAL H H 62 8.627 8.724 -0.097 1
1 655 . 8 1 1 A 62 62 VAL HA H 62 4.195 4.098 0.097 1
1 663 . 8 1 1 A 62 62 VAL C C 62 175.216 175.355 -0.139 1
1 664 . 8 1 1 A 62 62 VAL CA C 62 62.926 62.404 0.522 1
1 665 . 8 1 1 A 62 62 VAL CB C 62 33.459 32.340 1.119 1
1 668 . 8 1 1 A 62 62 VAL N N 62 118.451 121.640 -3.189 1
1 669 . 8 1 1 A 63 63 GLN H H 63 7.628 8.588 -0.960 1
1 670 . 8 1 1 A 63 63 GLN HA H 63 4.575 4.759 -0.184 1
1 677 . 8 1 1 A 63 63 GLN C C 63 174.418 175.617 -1.199 1
1 678 . 8 1 1 A 63 63 GLN CA C 63 55.451 54.730 0.721 1
1 679 . 8 1 1 A 63 63 GLN CB C 63 32.062 32.046 0.016 1
1 681 . 8 1 1 A 63 63 GLN N N 63 123.160 124.091 -0.931 1
1 683 . 8 1 1 A 64 64 GLY H H 64 8.678 8.779 -0.101 1
1 684 . 8 1 1 A 64 64 GLY HA2 H 64 4.025 3.920 0.105 1
1 685 . 8 1 1 A 64 64 GLY HA3 H 64 3.895 3.928 -0.033 1
1 686 . 8 1 1 A 64 64 GLY C C 64 174.592 173.151 1.441 1
1 687 . 8 1 1 A 64 64 GLY CA C 64 45.531 46.099 -0.568 1
1 688 . 8 1 1 A 64 64 GLY N N 64 112.406 112.836 -0.430 1
1 689 . 8 1 1 A 65 65 ASP HA H 65 4.625 4.811 -0.186 1
1 692 . 8 1 1 A 65 65 ASP C C 65 176.902 176.071 0.831 1
1 693 . 8 1 1 A 65 65 ASP CA C 65 55.486 53.630 1.856 1
1 694 . 8 1 1 A 65 65 ASP CB C 65 40.817 41.521 -0.704 1
1 695 . 8 1 1 A 66 66 ASN H H 66 7.979 8.855 -0.876 1
1 696 . 8 1 1 A 66 66 ASN HA H 66 4.554 4.284 0.270 1
1 701 . 8 1 1 A 66 66 ASN C C 66 174.456 174.109 0.347 1
1 702 . 8 1 1 A 66 66 ASN CA C 66 52.795 54.327 -1.532 1
1 703 . 8 1 1 A 66 66 ASN CB C 66 37.981 37.121 0.860 1
1 704 . 8 1 1 A 66 66 ASN N N 66 112.071 116.862 -4.791 1
1 706 . 8 1 1 A 67 67 LYS H H 67 7.476 7.502 -0.026 1
1 707 . 8 1 1 A 67 67 LYS HA H 67 5.914 5.167 0.747 1
1 716 . 8 1 1 A 67 67 LYS C C 67 177.922 175.546 2.376 1
1 717 . 8 1 1 A 67 67 LYS CA C 67 54.906 54.572 0.334 1
1 718 . 8 1 1 A 67 67 LYS CB C 67 36.707 36.972 -0.265 1
1 722 . 8 1 1 A 67 67 LYS N N 67 115.613 117.332 -1.719 1
1 723 . 8 1 1 A 68 68 PHE H H 68 9.227 8.482 0.745 1
1 724 . 8 1 1 A 68 68 PHE HA H 68 5.296 5.338 -0.042 1
1 732 . 8 1 1 A 68 68 PHE C C 68 171.230 172.178 -0.948 1
1 733 . 8 1 1 A 68 68 PHE CA C 68 56.576 55.652 0.924 1
1 734 . 8 1 1 A 68 68 PHE CB C 68 42.790 42.329 0.461 1
1 740 . 8 1 1 A 68 68 PHE N N 68 117.009 117.444 -0.435 1
1 741 . 8 1 1 A 69 69 GLU H H 69 9.527 9.197 0.330 1
1 742 . 8 1 1 A 69 69 GLU HA H 69 5.434 4.737 0.697 1
1 747 . 8 1 1 A 69 69 GLU C C 69 175.659 175.431 0.228 1
1 748 . 8 1 1 A 69 69 GLU CA C 69 53.429 55.168 -1.739 1
1 749 . 8 1 1 A 69 69 GLU CB C 69 33.460 31.352 2.108 1
1 751 . 8 1 1 A 69 69 GLU N N 69 119.470 120.886 -1.416 1
1 752 . 8 1 1 A 70 70 VAL H H 70 9.486 8.968 0.518 1
1 753 . 8 1 1 A 70 70 VAL HA H 70 4.486 4.550 -0.064 1
1 761 . 8 1 1 A 70 70 VAL C C 70 174.403 175.902 -1.499 1
1 762 . 8 1 1 A 70 70 VAL CA C 70 62.240 62.268 -0.028 1
1 763 . 8 1 1 A 70 70 VAL CB C 70 33.706 31.649 2.057 1
1 766 . 8 1 1 A 70 70 VAL N N 70 123.935 127.552 -3.617 1
1 767 . 8 1 1 A 71 71 VAL H H 71 8.658 8.547 0.111 1
1 768 . 8 1 1 A 71 71 VAL HA H 71 4.345 4.101 0.244 1
1 776 . 8 1 1 A 71 71 VAL C C 71 175.524 175.725 -0.201 1
1 777 . 8 1 1 A 71 71 VAL CA C 71 63.365 63.300 0.065 1
1 778 . 8 1 1 A 71 71 VAL CB C 71 32.802 31.900 0.902 1
1 781 . 8 1 1 A 71 71 VAL N N 71 129.195 128.292 0.903 1
1 782 . 8 1 1 A 72 72 THR H H 72 8.134 8.051 0.083 1
1 783 . 8 1 1 A 72 72 THR HA H 72 5.515 5.227 0.288 1
1 788 . 8 1 1 A 72 72 THR C C 72 174.609 175.028 -0.419 1
1 789 . 8 1 1 A 72 72 THR CA C 72 59.496 59.082 0.414 1
1 790 . 8 1 1 A 72 72 THR CB C 72 72.139 72.298 -0.159 1
1 792 . 8 1 1 A 72 72 THR N N 72 117.639 117.540 0.099 1
1 793 . 8 1 1 A 73 73 THR H H 73 8.944 9.116 -0.172 1
1 794 . 8 1 1 A 73 73 THR HA H 73 3.966 3.886 0.080 1
1 799 . 8 1 1 A 73 73 THR C C 73 175.783 175.963 -0.180 1
1 800 . 8 1 1 A 73 73 THR CA C 73 65.880 66.894 -1.014 1
1 801 . 8 1 1 A 73 73 THR CB C 73 68.604 68.847 -0.243 1
1 803 . 8 1 1 A 73 73 THR N N 73 114.027 118.385 -4.358 1
1 804 . 8 1 1 A 74 74 GLN H H 74 7.997 7.950 0.047 1
1 805 . 8 1 1 A 74 74 GLN HA H 74 4.350 4.158 0.192 1
1 812 . 8 1 1 A 74 74 GLN C C 74 175.698 176.048 -0.350 1
1 813 . 8 1 1 A 74 74 GLN CA C 74 56.910 58.246 -1.336 1
1 814 . 8 1 1 A 74 74 GLN CB C 74 30.624 29.232 1.392 1
1 816 . 8 1 1 A 74 74 GLN N N 74 115.670 118.396 -2.726 1
1 818 . 8 1 1 A 75 75 ARG H H 75 7.366 7.362 0.004 1
1 819 . 8 1 1 A 75 75 ARG HA H 75 4.395 4.446 -0.051 1
1 826 . 8 1 1 A 75 75 ARG C C 75 174.546 174.376 0.170 1
1 827 . 8 1 1 A 75 75 ARG CA C 75 55.802 54.765 1.037 1
1 828 . 8 1 1 A 75 75 ARG CB C 75 32.514 32.911 -0.397 1
1 831 . 8 1 1 A 75 75 ARG N N 75 115.650 113.081 2.569 1
1 832 . 8 1 1 A 76 76 THR H H 76 8.679 8.449 0.230 1
1 833 . 8 1 1 A 76 76 THR HA H 76 5.065 3.895 1.170 1
1 838 . 8 1 1 A 76 76 THR C C 76 173.239 174.020 -0.781 1
1 839 . 8 1 1 A 76 76 THR CA C 76 61.888 63.647 -1.759 1
1 840 . 8 1 1 A 76 76 THR CB C 76 69.878 69.397 0.481 1
1 842 . 8 1 1 A 76 76 THR N N 76 120.285 118.142 2.143 1
1 843 . 8 1 1 A 77 77 PHE H H 77 9.156 8.990 0.166 1
1 844 . 8 1 1 A 77 77 PHE HA H 77 4.385 4.883 -0.498 1
1 852 . 8 1 1 A 77 77 PHE C C 77 174.028 174.330 -0.302 1
1 853 . 8 1 1 A 77 77 PHE CA C 77 56.822 56.135 0.687 1
1 854 . 8 1 1 A 77 77 PHE CB C 77 41.640 42.038 -0.398 1
1 860 . 8 1 1 A 77 77 PHE N N 77 127.212 125.311 1.901 1
1 861 . 8 1 1 A 78 78 VAL H H 78 8.374 8.555 -0.181 1
1 862 . 8 1 1 A 78 78 VAL HA H 78 4.506 4.567 -0.061 1
1 870 . 8 1 1 A 78 78 VAL C C 78 173.264 174.597 -1.333 1
1 871 . 8 1 1 A 78 78 VAL CA C 78 61.730 61.145 0.585 1
1 872 . 8 1 1 A 78 78 VAL CB C 78 33.254 33.421 -0.167 1
1 875 . 8 1 1 A 78 78 VAL N N 78 123.393 121.765 1.628 1
1 876 . 8 1 1 A 79 79 PHE H H 79 8.458 8.327 0.131 1
1 877 . 8 1 1 A 79 79 PHE HA H 79 5.403 5.076 0.327 1
1 885 . 8 1 1 A 79 79 PHE C C 79 173.855 173.749 0.106 1
1 886 . 8 1 1 A 79 79 PHE CA C 79 55.151 55.348 -0.197 1
1 887 . 8 1 1 A 79 79 PHE CB C 79 42.913 42.444 0.469 1
1 893 . 8 1 1 A 79 79 PHE N N 79 123.801 125.232 -1.431 1
1 894 . 8 1 1 A 80 80 ARG H H 80 9.407 8.595 0.812 1
1 895 . 8 1 1 A 80 80 ARG HA H 80 5.134 5.098 0.036 1
1 902 . 8 1 1 A 80 80 ARG C C 80 174.634 175.011 -0.377 1
1 903 . 8 1 1 A 80 80 ARG CA C 80 54.431 54.251 0.180 1
1 904 . 8 1 1 A 80 80 ARG CB C 80 35.227 33.577 1.650 1
1 907 . 8 1 1 A 80 80 ARG N N 80 121.570 123.501 -1.931 1
1 908 . 8 1 1 A 81 81 VAL H H 81 8.544 8.450 0.094 1
1 909 . 8 1 1 A 81 81 VAL HA H 81 4.708 4.833 -0.125 1
1 917 . 8 1 1 A 81 81 VAL C C 81 175.050 175.931 -0.881 1
1 918 . 8 1 1 A 81 81 VAL CA C 81 59.602 59.194 0.408 1
1 919 . 8 1 1 A 81 81 VAL CB C 81 33.706 34.890 -1.184 1
1 922 . 8 1 1 A 81 81 VAL N N 81 122.128 120.805 1.323 1
1 923 . 8 1 1 A 82 82 GLU H H 82 8.549 8.632 -0.083 1
1 924 . 8 1 1 A 82 82 GLU HA H 82 4.132 4.234 -0.102 1
1 929 . 8 1 1 A 82 82 GLU C C 82 176.909 176.038 0.871 1
1 930 . 8 1 1 A 82 82 GLU CA C 82 58.973 58.452 0.521 1
1 931 . 8 1 1 A 82 82 GLU CB C 82 30.582 30.787 -0.205 1
1 933 . 8 1 1 A 82 82 GLU N N 82 121.776 121.370 0.406 1
1 934 . 8 1 1 A 83 83 LYS H H 83 7.618 7.698 -0.080 1
1 935 . 8 1 1 A 83 83 LYS HA H 83 4.708 4.699 0.009 1
1 944 . 8 1 1 A 83 83 LYS C C 83 176.665 176.558 0.107 1
1 945 . 8 1 1 A 83 83 LYS CA C 83 54.694 54.854 -0.160 1
1 946 . 8 1 1 A 83 83 LYS CB C 83 34.775 36.105 -1.330 1
1 950 . 8 1 1 A 83 83 LYS N N 83 115.778 117.594 -1.816 1
1 951 . 8 1 1 A 84 84 GLU H H 84 9.150 9.085 0.065 1
1 952 . 8 1 1 A 84 84 GLU HA H 84 3.953 4.144 -0.191 1
1 957 . 8 1 1 A 84 84 GLU C C 84 178.243 178.309 -0.066 1
1 958 . 8 1 1 A 84 84 GLU CA C 84 60.217 59.677 0.540 1
1 959 . 8 1 1 A 84 84 GLU CB C 84 29.843 29.142 0.701 1
1 961 . 8 1 1 A 84 84 GLU N N 84 127.798 122.329 5.469 1
1 962 . 8 1 1 A 85 85 GLU H H 85 9.626 8.406 1.220 1
1 963 . 8 1 1 A 85 85 GLU HA H 85 4.100 3.998 0.102 1
1 968 . 8 1 1 A 85 85 GLU C C 85 178.948 179.271 -0.323 1
1 969 . 8 1 1 A 85 85 GLU CA C 85 59.847 59.811 0.036 1
1 970 . 8 1 1 A 85 85 GLU CB C 85 28.897 29.351 -0.454 1
1 972 . 8 1 1 A 85 85 GLU N N 85 117.844 119.809 -1.965 1
1 973 . 8 1 1 A 86 86 GLU H H 86 7.257 8.431 -1.174 1
1 974 . 8 1 1 A 86 86 GLU HA H 86 4.365 4.124 0.241 1
1 979 . 8 1 1 A 86 86 GLU C C 86 178.607 179.303 -0.696 1
1 980 . 8 1 1 A 86 86 GLU CA C 86 58.089 59.186 -1.097 1
1 981 . 8 1 1 A 86 86 GLU CB C 86 30.212 29.553 0.659 1
1 983 . 8 1 1 A 86 86 GLU N N 86 118.075 119.630 -1.555 1
1 984 . 8 1 1 A 87 87 ARG H H 87 7.919 8.132 -0.213 1
1 985 . 8 1 1 A 87 87 ARG HA H 87 3.838 3.951 -0.113 1
1 992 . 8 1 1 A 87 87 ARG C C 87 177.977 178.260 -0.283 1
1 993 . 8 1 1 A 87 87 ARG CA C 87 60.815 59.278 1.537 1
1 994 . 8 1 1 A 87 87 ARG CB C 87 28.856 30.089 -1.233 1
1 997 . 8 1 1 A 87 87 ARG N N 87 121.287 120.646 0.641 1
1 998 . 8 1 1 A 88 88 ASN H H 88 8.421 8.232 0.189 1
1 999 . 8 1 1 A 88 88 ASN HA H 88 4.295 4.426 -0.131 1
1 1004 . 8 1 1 A 88 88 ASN C C 88 177.423 177.084 0.339 1
1 1005 . 8 1 1 A 88 88 ASN CA C 88 55.627 56.234 -0.607 1
1 1006 . 8 1 1 A 88 88 ASN CB C 88 37.136 37.382 -0.246 1
1 1007 . 8 1 1 A 88 88 ASN N N 88 116.926 115.309 1.617 1
1 1009 . 8 1 1 A 89 89 ASP H H 89 7.790 8.231 -0.441 1
1 1010 . 8 1 1 A 89 89 ASP HA H 89 4.389 4.225 0.164 1
1 1013 . 8 1 1 A 89 89 ASP C C 89 177.683 178.628 -0.945 1
1 1014 . 8 1 1 A 89 89 ASP CA C 89 57.737 57.212 0.525 1
1 1015 . 8 1 1 A 89 89 ASP CB C 89 41.352 40.429 0.923 1
1 1016 . 8 1 1 A 89 89 ASP N N 89 121.867 119.333 2.534 1
1 1017 . 8 1 1 A 90 90 TRP H H 90 7.690 8.239 -0.549 1
1 1018 . 8 1 1 A 90 90 TRP HA H 90 3.666 4.250 -0.584 1
1 1027 . 8 1 1 A 90 90 TRP C C 90 177.880 178.565 -0.685 1
1 1028 . 8 1 1 A 90 90 TRP CA C 90 61.704 59.871 1.833 1
1 1029 . 8 1 1 A 90 90 TRP CB C 90 29.594 29.333 0.261 1
1 1035 . 8 1 1 A 90 90 TRP N N 90 117.617 119.297 -1.680 1
1 1037 . 8 1 1 A 91 91 ILE H H 91 7.654 7.659 -0.005 1
1 1038 . 8 1 1 A 91 91 ILE HA H 91 3.275 3.558 -0.283 1
1 1048 . 8 1 1 A 91 91 ILE C C 91 177.138 177.951 -0.813 1
1 1049 . 8 1 1 A 91 91 ILE CA C 91 65.001 65.399 -0.398 1
1 1050 . 8 1 1 A 91 91 ILE CB C 91 36.913 37.636 -0.723 1
1 1054 . 8 1 1 A 91 91 ILE N N 91 114.248 120.405 -6.157 1
1 1055 . 8 1 1 A 92 92 SER H H 92 8.055 7.989 0.066 1
1 1056 . 8 1 1 A 92 92 SER HA H 92 4.045 4.045 0.000 1
1 1059 . 8 1 1 A 92 92 SER C C 92 177.204 177.170 0.034 1
1 1060 . 8 1 1 A 92 92 SER CA C 92 61.923 61.718 0.205 1
1 1061 . 8 1 1 A 92 92 SER CB C 92 62.767 63.036 -0.269 1
1 1062 . 8 1 1 A 92 92 SER N N 92 114.018 114.846 -0.828 1
1 1063 . 8 1 1 A 93 93 ILE H H 93 7.926 7.849 0.077 1
1 1064 . 8 1 1 A 93 93 ILE HA H 93 3.795 3.627 0.168 1
1 1074 . 8 1 1 A 93 93 ILE C C 93 178.947 177.948 0.999 1
1 1075 . 8 1 1 A 93 93 ILE CA C 93 64.825 65.322 -0.497 1
1 1076 . 8 1 1 A 93 93 ILE CB C 93 37.693 38.084 -0.391 1
1 1080 . 8 1 1 A 93 93 ILE N N 93 120.974 121.955 -0.981 1
1 1081 . 8 1 1 A 94 94 LEU H H 94 7.678 8.383 -0.705 1
1 1082 . 8 1 1 A 94 94 LEU HA H 94 3.634 3.829 -0.195 1
1 1092 . 8 1 1 A 94 94 LEU C C 94 178.551 179.224 -0.673 1
1 1093 . 8 1 1 A 94 94 LEU CA C 94 57.861 58.093 -0.232 1
1 1094 . 8 1 1 A 94 94 LEU CB C 94 42.356 41.679 0.677 1
1 1098 . 8 1 1 A 94 94 LEU N N 94 121.223 119.444 1.779 1
1 1099 . 8 1 1 A 95 95 LEU H H 95 8.954 8.522 0.432 1
1 1100 . 8 1 1 A 95 95 LEU HA H 95 4.037 3.849 0.188 1
1 1110 . 8 1 1 A 95 95 LEU C C 95 180.858 179.123 1.735 1
1 1111 . 8 1 1 A 95 95 LEU CA C 95 58.194 58.179 0.015 1
1 1112 . 8 1 1 A 95 95 LEU CB C 95 41.286 41.821 -0.535 1
1 1116 . 8 1 1 A 95 95 LEU N N 95 118.177 118.278 -0.101 1
1 1117 . 8 1 1 A 96 96 ASN H H 96 8.235 8.250 -0.015 1
1 1118 . 8 1 1 A 96 96 ASN HA H 96 4.445 4.440 0.005 1
1 1123 . 8 1 1 A 96 96 ASN C C 96 177.901 177.338 0.563 1
1 1124 . 8 1 1 A 96 96 ASN CA C 96 56.347 56.922 -0.575 1
1 1125 . 8 1 1 A 96 96 ASN CB C 96 38.105 39.502 -1.397 1
1 1126 . 8 1 1 A 96 96 ASN N N 96 117.502 116.863 0.639 1
1 1128 . 8 1 1 A 97 97 ALA H H 97 7.756 7.731 0.025 1
1 1129 . 8 1 1 A 97 97 ALA HA H 97 4.305 4.134 0.171 1
1 1133 . 8 1 1 A 97 97 ALA C C 97 180.315 180.093 0.222 1
1 1134 . 8 1 1 A 97 97 ALA CA C 97 54.906 54.898 0.008 1
1 1135 . 8 1 1 A 97 97 ALA CB C 97 19.214 18.392 0.822 1
1 1136 . 8 1 1 A 97 97 ALA N N 97 123.457 121.880 1.577 1
1 1137 . 8 1 1 A 98 98 LEU H H 98 8.335 8.293 0.042 1
1 1138 . 8 1 1 A 98 98 LEU HA H 98 4.055 3.987 0.068 1
1 1148 . 8 1 1 A 98 98 LEU C C 98 179.542 179.505 0.037 1
1 1149 . 8 1 1 A 98 98 LEU CA C 98 57.578 58.116 -0.538 1
1 1150 . 8 1 1 A 98 98 LEU CB C 98 42.174 41.552 0.622 1
1 1154 . 8 1 1 A 98 98 LEU N N 98 119.610 118.956 0.654 1
1 1155 . 8 1 1 A 99 99 LYS H H 99 7.969 8.416 -0.447 1
1 1156 . 8 1 1 A 99 99 LYS HA H 99 4.203 3.946 0.257 1
1 1165 . 8 1 1 A 99 99 LYS C C 99 178.392 179.540 -1.148 1
1 1166 . 8 1 1 A 99 99 LYS CA C 99 58.563 59.683 -1.120 1
1 1167 . 8 1 1 A 99 99 LYS CB C 99 32.267 32.234 0.033 1
1 1171 . 8 1 1 A 99 99 LYS N N 99 119.323 117.885 1.438 1
1 1172 . 8 1 1 A 100 100 SER H H 100 7.854 7.783 0.071 1
1 1173 . 8 1 1 A 100 100 SER HA H 100 4.404 4.096 0.308 1
1 1176 . 8 1 1 A 100 100 SER C C 100 175.449 177.000 -1.551 1
1 1177 . 8 1 1 A 100 100 SER CA C 100 60.076 61.837 -1.761 1
1 1178 . 8 1 1 A 100 100 SER CB C 100 63.600 62.858 0.742 1
1 1179 . 8 1 1 A 100 100 SER N N 100 114.116 116.054 -1.938 1
1 1180 . 8 1 1 A 101 101 GLN H H 101 7.863 7.685 0.178 1
1 1181 . 8 1 1 A 101 101 GLN HA H 101 4.294 4.184 0.110 1
1 1188 . 8 1 1 A 101 101 GLN C C 101 176.613 177.210 -0.597 1
1 1189 . 8 1 1 A 101 101 GLN CA C 101 57.121 59.151 -2.030 1
1 1190 . 8 1 1 A 101 101 GLN CB C 101 29.761 28.253 1.508 1
1 1192 . 8 1 1 A 101 101 GLN N N 101 120.923 120.683 0.240 1
1 1194 . 8 1 1 A 102 102 SER H H 102 8.170 7.496 0.674 1
1 1195 . 8 1 1 A 102 102 SER HA H 102 4.445 4.522 -0.077 1
1 1198 . 8 1 1 A 102 102 SER C C 102 175.030 175.264 -0.234 1
1 1199 . 8 1 1 A 102 102 SER CA C 102 59.162 58.423 0.739 1
1 1200 . 8 1 1 A 102 102 SER CB C 102 63.466 64.351 -0.885 1
1 1201 . 8 1 1 A 102 102 SER N N 102 115.689 114.861 0.828 1
1 1202 . 8 1 1 A 103 103 LEU H H 103 8.111 8.817 -0.706 1
1 1203 . 8 1 1 A 103 103 LEU HA H 103 4.400 4.031 0.369 1
1 1213 . 8 1 1 A 103 103 LEU C C 103 178.263 176.340 1.923 1
1 1214 . 8 1 1 A 103 103 LEU CA C 103 55.908 55.614 0.294 1
1 1215 . 8 1 1 A 103 103 LEU CB C 103 42.215 39.819 2.396 1
1 1219 . 8 1 1 A 103 103 LEU N N 103 123.252 124.851 -1.599 1
1 1220 . 8 1 1 A 104 104 THR H H 104 8.064 7.770 0.294 1
1 1221 . 8 1 1 A 104 104 THR HA H 104 4.354 4.481 -0.127 1
1 1226 . 8 1 1 A 104 104 THR C C 104 175.092 175.759 -0.667 1
1 1227 . 8 1 1 A 104 104 THR CA C 104 62.368 61.229 1.139 1
1 1228 . 8 1 1 A 104 104 THR CB C 104 69.673 70.411 -0.738 1
1 1230 . 8 1 1 A 104 104 THR N N 104 113.441 115.932 -2.491 1
1 1231 . 8 1 1 A 105 105 SER H H 105 8.231 9.005 -0.774 1
1 1232 . 8 1 1 A 105 105 SER C C 105 177.959 175.367 2.592 1
1 1233 . 8 1 1 A 105 105 SER CA C 105 58.406 61.774 -3.368 1
1 1234 . 8 1 1 A 105 105 SER CB C 105 63.507 62.661 0.846 1
1 1235 . 8 1 1 A 105 105 SER N N 105 117.638 119.165 -1.527 1
1 1236 . 8 1 1 A 106 106 GLN HA H 106 4.365 4.495 -0.130 1
1 1239 . 8 1 1 A 106 106 GLN C C 106 176.322 175.586 0.736 1
1 1240 . 8 1 1 A 106 106 GLN CA C 106 56.189 55.254 0.935 1
1 1241 . 8 1 1 A 106 106 GLN CB C 106 29.226 29.838 -0.612 1
1 1243 . 8 1 1 A 107 107 SER H H 107 8.287 8.580 -0.293 1
1 1244 . 8 1 1 A 107 107 SER HA H 107 4.404 4.508 -0.104 1
1 1246 . 8 1 1 A 107 107 SER C C 107 174.687 174.786 -0.099 1
1 1247 . 8 1 1 A 107 107 SER CA C 107 58.722 60.123 -1.401 1
1 1248 . 8 1 1 A 107 107 SER CB C 107 63.713 63.632 0.081 1
1 1249 . 8 1 1 A 107 107 SER N N 107 116.578 118.071 -1.493 1
1 1250 . 8 1 1 A 108 108 GLN H H 108 8.354 8.750 -0.396 1
1 1251 . 8 1 1 A 108 108 GLN HA H 108 4.349 5.099 -0.750 1
1 1258 . 8 1 1 A 108 108 GLN C C 108 175.798 174.067 1.731 1
1 1259 . 8 1 1 A 108 108 GLN CA C 108 55.820 54.129 1.691 1
1 1260 . 8 1 1 A 108 108 GLN CB C 108 29.432 32.967 -3.535 1
1 1262 . 8 1 1 A 108 108 GLN N N 108 122.015 122.709 -0.694 1
1 1264 . 8 1 1 A 109 109 ALA H H 109 8.301 8.528 -0.227 1
1 1265 . 8 1 1 A 109 109 ALA HA H 109 4.345 5.075 -0.730 1
1 1269 . 8 1 1 A 109 109 ALA C C 109 177.749 175.496 2.253 1
1 1270 . 8 1 1 A 109 109 ALA CA C 109 52.672 51.852 0.820 1
1 1271 . 8 1 1 A 109 109 ALA CB C 109 19.237 20.915 -1.678 1
1 1272 . 8 1 1 A 109 109 ALA N N 109 125.243 121.290 3.953 1
1 1273 . 8 1 1 A 110 110 SER H H 110 8.290 8.785 -0.495 1
1 1274 . 8 1 1 A 110 110 SER HA H 110 4.459 4.933 -0.474 1
1 1277 . 8 1 1 A 110 110 SER C C 110 174.593 172.474 2.119 1
1 1278 . 8 1 1 A 110 110 SER CA C 110 58.248 56.341 1.907 1
1 1279 . 8 1 1 A 110 110 SER CB C 110 63.918 65.588 -1.670 1
1 1280 . 8 1 1 A 110 110 SER N N 110 115.148 117.587 -2.439 1
1 1281 . 8 1 1 A 111 111 GLY H H 111 8.199 8.317 -0.118 1
1 1282 . 8 1 1 A 111 111 GLY HA2 H 111 4.167 4.244 -0.077 1
1 1283 . 8 1 1 A 111 111 GLY HA3 H 111 4.094 4.245 -0.151 1
1 1284 . 8 1 1 A 111 111 GLY C C 111 171.782 172.034 -0.252 1
1 1285 . 8 1 1 A 111 111 GLY CA C 111 44.652 45.444 -0.792 1
1 1286 . 8 1 1 A 111 111 GLY N N 111 110.586 109.894 0.692 1
1 1287 . 8 1 1 A 112 112 PRO HA H 112 4.471 4.670 -0.199 1
1 1294 . 8 1 1 A 112 112 PRO CA C 112 63.154 62.534 0.620 1
1 1295 . 8 1 1 A 112 112 PRO CB C 112 32.314 33.324 -1.010 1
1 1 . 9 1 1 A 7 7 GLY H H 7 9.055 8.468 0.587 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.908 4.128 -0.220 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 3.968 4.145 -0.177 1
1 4 . 9 1 1 A 7 7 GLY C C 7 173.671 174.838 -1.167 1
1 5 . 9 1 1 A 7 7 GLY CA C 7 45.421 44.766 0.655 1
1 6 . 9 1 1 A 8 8 LYS H H 8 8.145 8.526 -0.381 1
1 7 . 9 1 1 A 8 8 LYS HA H 8 4.345 4.343 0.002 1
1 16 . 9 1 1 A 8 8 LYS C C 8 175.255 176.085 -0.830 1
1 17 . 9 1 1 A 8 8 LYS CA C 8 56.330 56.376 -0.046 1
1 18 . 9 1 1 A 8 8 LYS CB C 8 33.583 32.720 0.863 1
1 22 . 9 1 1 A 8 8 LYS N N 8 120.101 121.027 -0.926 1
1 23 . 9 1 1 A 9 9 VAL H H 9 7.579 7.460 0.119 1
1 24 . 9 1 1 A 9 9 VAL HA H 9 4.473 5.011 -0.538 1
1 32 . 9 1 1 A 9 9 VAL C C 9 174.860 174.411 0.449 1
1 33 . 9 1 1 A 9 9 VAL CA C 9 59.989 58.425 1.564 1
1 34 . 9 1 1 A 9 9 VAL CB C 9 34.218 36.157 -1.939 1
1 37 . 9 1 1 A 9 9 VAL N N 9 114.437 114.597 -0.160 1
1 38 . 9 1 1 A 10 10 LYS H H 10 8.236 8.707 -0.471 1
1 39 . 9 1 1 A 10 10 LYS HA H 10 4.345 4.533 -0.188 1
1 48 . 9 1 1 A 10 10 LYS C C 10 172.963 174.077 -1.114 1
1 49 . 9 1 1 A 10 10 LYS CA C 10 56.096 55.647 0.449 1
1 50 . 9 1 1 A 10 10 LYS CB C 10 36.131 35.800 0.331 1
1 54 . 9 1 1 A 10 10 LYS N N 10 122.938 121.573 1.365 1
1 55 . 9 1 1 A 11 11 SER H H 11 8.168 8.539 -0.371 1
1 56 . 9 1 1 A 11 11 SER HA H 11 5.669 5.687 -0.018 1
1 59 . 9 1 1 A 11 11 SER C C 11 173.281 173.084 0.197 1
1 60 . 9 1 1 A 11 11 SER CA C 11 55.960 57.379 -1.419 1
1 61 . 9 1 1 A 11 11 SER CB C 11 66.326 66.016 0.310 1
1 62 . 9 1 1 A 11 11 SER N N 11 119.068 118.591 0.477 1
1 63 . 9 1 1 A 12 12 GLY H H 12 8.248 8.023 0.225 1
1 64 . 9 1 1 A 12 12 GLY HA2 H 12 4.168 3.909 0.259 1
1 65 . 9 1 1 A 12 12 GLY HA3 H 12 3.478 4.291 -0.813 1
1 66 . 9 1 1 A 12 12 GLY C C 12 170.778 171.322 -0.544 1
1 67 . 9 1 1 A 12 12 GLY CA C 12 45.654 45.057 0.597 1
1 68 . 9 1 1 A 12 12 GLY N N 12 108.756 109.804 -1.048 1
1 69 . 9 1 1 A 13 13 TRP H H 13 8.622 8.489 0.133 1
1 70 . 9 1 1 A 13 13 TRP HA H 13 5.398 4.774 0.624 1
1 79 . 9 1 1 A 13 13 TRP C C 13 177.511 176.293 1.218 1
1 80 . 9 1 1 A 13 13 TRP CA C 13 57.069 58.114 -1.045 1
1 81 . 9 1 1 A 13 13 TRP CB C 13 30.295 29.254 1.041 1
1 87 . 9 1 1 A 13 13 TRP N N 13 119.518 120.916 -1.398 1
1 89 . 9 1 1 A 14 14 LEU H H 14 9.524 8.560 0.964 1
1 90 . 9 1 1 A 14 14 LEU HA H 14 4.791 5.201 -0.410 1
1 100 . 9 1 1 A 14 14 LEU C C 14 175.381 175.028 0.353 1
1 101 . 9 1 1 A 14 14 LEU CA C 14 54.096 53.333 0.763 1
1 102 . 9 1 1 A 14 14 LEU CB C 14 47.682 44.961 2.721 1
1 106 . 9 1 1 A 14 14 LEU N N 14 124.165 125.875 -1.710 1
1 107 . 9 1 1 A 15 15 ASP H H 15 8.335 8.930 -0.595 1
1 108 . 9 1 1 A 15 15 ASP HA H 15 5.424 5.352 0.072 1
1 111 . 9 1 1 A 15 15 ASP C C 15 175.302 174.893 0.409 1
1 112 . 9 1 1 A 15 15 ASP CA C 15 53.252 52.755 0.497 1
1 113 . 9 1 1 A 15 15 ASP CB C 15 42.420 42.507 -0.087 1
1 114 . 9 1 1 A 15 15 ASP N N 15 120.275 121.765 -1.490 1
1 115 . 9 1 1 A 16 16 LYS H H 16 9.444 8.962 0.482 1
1 116 . 9 1 1 A 16 16 LYS HA H 16 4.781 4.359 0.422 1
1 125 . 9 1 1 A 16 16 LYS C C 16 176.244 175.463 0.781 1
1 126 . 9 1 1 A 16 16 LYS CA C 16 54.782 55.744 -0.962 1
1 127 . 9 1 1 A 16 16 LYS CB C 16 36.666 32.514 4.152 1
1 131 . 9 1 1 A 16 16 LYS N N 16 125.854 127.713 -1.859 1
1 132 . 9 1 1 A 17 17 LEU H H 17 8.387 8.086 0.301 1
1 133 . 9 1 1 A 17 17 LEU HA H 17 3.476 4.005 -0.529 1
1 143 . 9 1 1 A 17 17 LEU C C 17 175.840 176.185 -0.345 1
1 144 . 9 1 1 A 17 17 LEU CA C 17 55.715 53.623 2.092 1
1 145 . 9 1 1 A 17 17 LEU CB C 17 41.986 40.156 1.830 1
1 149 . 9 1 1 A 17 17 LEU N N 17 130.736 129.321 1.415 1
1 150 . 9 1 1 A 18 18 SER H H 18 8.378 8.789 -0.411 1
1 151 . 9 1 1 A 18 18 SER HA H 18 4.563 4.249 0.314 1
1 154 . 9 1 1 A 18 18 SER C C 18 172.291 174.195 -1.904 1
1 155 . 9 1 1 A 18 18 SER CA C 18 55.697 62.440 -6.743 1
1 156 . 9 1 1 A 18 18 SER CB C 18 62.885 62.696 0.189 1
1 157 . 9 1 1 A 18 18 SER N N 18 123.037 121.820 1.217 1
1 158 . 9 1 1 A 19 19 PRO HA H 19 4.414 4.676 -0.262 1
1 165 . 9 1 1 A 19 19 PRO CA C 19 63.946 62.326 1.620 1
1 166 . 9 1 1 A 19 19 PRO CB C 19 32.128 32.957 -0.829 1
1 169 . 9 1 1 A 20 20 GLN H H 20 8.085 8.420 -0.335 1
1 170 . 9 1 1 A 20 20 GLN HA H 20 4.353 5.070 -0.717 1
1 175 . 9 1 1 A 20 20 GLN CA C 20 55.533 54.324 1.209 1
1 176 . 9 1 1 A 20 20 GLN CB C 20 30.130 30.683 -0.553 1
1 178 . 9 1 1 A 20 20 GLN N N 20 119.721 117.538 2.183 1
1 179 . 9 1 1 A 22 22 LYS H H 22 8.151 7.932 0.219 1
1 180 . 9 1 1 A 22 22 LYS HA H 22 4.165 4.547 -0.382 1
1 185 . 9 1 1 A 22 22 LYS C C 22 176.016 176.209 -0.193 1
1 186 . 9 1 1 A 22 22 LYS CA C 22 56.717 55.835 0.882 1
1 187 . 9 1 1 A 22 22 LYS CB C 22 32.303 34.967 -2.664 1
1 191 . 9 1 1 A 23 23 ARG H H 23 8.329 8.831 -0.502 1
1 192 . 9 1 1 A 23 23 ARG HA H 23 3.937 3.778 0.159 1
1 199 . 9 1 1 A 23 23 ARG C C 23 174.937 176.902 -1.965 1
1 200 . 9 1 1 A 23 23 ARG CA C 23 56.436 59.801 -3.365 1
1 201 . 9 1 1 A 23 23 ARG CB C 23 29.144 30.236 -1.092 1
1 204 . 9 1 1 A 23 23 ARG N N 23 119.006 126.780 -7.774 1
1 205 . 9 1 1 A 24 24 MET H H 24 7.965 8.096 -0.131 1
1 206 . 9 1 1 A 24 24 MET HA H 24 4.492 4.225 0.267 1
1 209 . 9 1 1 A 24 24 MET C C 24 174.737 176.357 -1.620 1
1 210 . 9 1 1 A 24 24 MET CA C 24 55.134 54.296 0.838 1
1 211 . 9 1 1 A 24 24 MET CB C 24 33.665 31.606 2.059 1
1 213 . 9 1 1 A 24 24 MET N N 24 120.460 115.664 4.796 1
1 214 . 9 1 1 A 25 25 PHE H H 25 8.593 6.985 1.608 1
1 215 . 9 1 1 A 25 25 PHE HA H 25 4.788 4.101 0.687 1
1 223 . 9 1 1 A 25 25 PHE C C 25 175.712 175.365 0.347 1
1 224 . 9 1 1 A 25 25 PHE CA C 25 57.421 61.015 -3.594 1
1 225 . 9 1 1 A 25 25 PHE CB C 25 41.890 39.340 2.550 1
1 231 . 9 1 1 A 25 25 PHE N N 25 121.330 123.752 -2.422 1
1 232 . 9 1 1 A 26 26 GLN H H 26 8.758 7.976 0.782 1
1 233 . 9 1 1 A 26 26 GLN HA H 26 4.777 4.797 -0.020 1
1 240 . 9 1 1 A 26 26 GLN C C 26 175.149 173.441 1.708 1
1 241 . 9 1 1 A 26 26 GLN CA C 26 53.991 55.138 -1.147 1
1 242 . 9 1 1 A 26 26 GLN CB C 26 32.144 32.231 -0.087 1
1 244 . 9 1 1 A 26 26 GLN N N 26 119.081 114.196 4.885 1
1 246 . 9 1 1 A 27 27 LYS H H 27 8.913 8.666 0.247 1
1 247 . 9 1 1 A 27 27 LYS HA H 27 4.933 5.519 -0.586 1
1 256 . 9 1 1 A 27 27 LYS C C 27 177.786 174.930 2.856 1
1 257 . 9 1 1 A 27 27 LYS CA C 27 57.843 55.036 2.807 1
1 258 . 9 1 1 A 27 27 LYS CB C 27 32.720 36.197 -3.477 1
1 262 . 9 1 1 A 27 27 LYS N N 27 126.903 123.495 3.408 1
1 263 . 9 1 1 A 28 28 ARG H H 28 9.847 8.581 1.266 1
1 264 . 9 1 1 A 28 28 ARG HA H 28 5.236 5.132 0.104 1
1 271 . 9 1 1 A 28 28 ARG C C 28 173.319 174.978 -1.659 1
1 272 . 9 1 1 A 28 28 ARG CA C 28 53.481 54.812 -1.331 1
1 273 . 9 1 1 A 28 28 ARG CB C 28 34.405 34.138 0.267 1
1 276 . 9 1 1 A 28 28 ARG N N 28 127.032 124.923 2.109 1
1 277 . 9 1 1 A 29 29 TRP H H 29 8.408 8.885 -0.477 1
1 278 . 9 1 1 A 29 29 TRP HA H 29 4.424 4.415 0.009 1
1 285 . 9 1 1 A 29 29 TRP C C 29 174.606 175.041 -0.435 1
1 286 . 9 1 1 A 29 29 TRP CA C 29 56.383 58.669 -2.286 1
1 287 . 9 1 1 A 29 29 TRP CB C 29 29.226 29.853 -0.627 1
1 292 . 9 1 1 A 29 29 TRP N N 29 124.511 126.744 -2.233 1
1 293 . 9 1 1 A 30 30 VAL H H 30 8.464 7.559 0.905 1
1 294 . 9 1 1 A 30 30 VAL HA H 30 4.736 4.861 -0.125 1
1 302 . 9 1 1 A 30 30 VAL C C 30 172.903 174.595 -1.692 1
1 303 . 9 1 1 A 30 30 VAL CA C 30 61.219 60.193 1.026 1
1 304 . 9 1 1 A 30 30 VAL CB C 30 32.925 34.609 -1.684 1
1 307 . 9 1 1 A 30 30 VAL N N 30 129.572 127.325 2.247 1
1 308 . 9 1 1 A 31 31 LYS H H 31 9.125 8.348 0.777 1
1 309 . 9 1 1 A 31 31 LYS HA H 31 5.095 5.139 -0.044 1
1 318 . 9 1 1 A 31 31 LYS C C 31 175.396 174.491 0.905 1
1 319 . 9 1 1 A 31 31 LYS CA C 31 54.677 55.549 -0.872 1
1 320 . 9 1 1 A 31 31 LYS CB C 31 37.036 37.026 0.010 1
1 324 . 9 1 1 A 31 31 LYS N N 31 124.358 126.172 -1.814 1
1 325 . 9 1 1 A 32 32 PHE H H 32 9.725 8.693 1.032 1
1 326 . 9 1 1 A 32 32 PHE HA H 32 5.905 5.225 0.680 1
1 334 . 9 1 1 A 32 32 PHE C C 32 174.555 174.275 0.280 1
1 335 . 9 1 1 A 32 32 PHE CA C 32 56.224 56.478 -0.254 1
1 336 . 9 1 1 A 32 32 PHE CB C 32 41.804 42.875 -1.071 1
1 342 . 9 1 1 A 32 32 PHE N N 32 125.979 126.141 -0.162 1
1 343 . 9 1 1 A 33 33 ASP H H 33 7.884 8.621 -0.737 1
1 344 . 9 1 1 A 33 33 ASP HA H 33 4.555 4.807 -0.252 1
1 347 . 9 1 1 A 33 33 ASP C C 33 175.730 175.473 0.257 1
1 348 . 9 1 1 A 33 33 ASP CA C 33 52.602 54.115 -1.513 1
1 349 . 9 1 1 A 33 33 ASP CB C 33 41.686 42.827 -1.141 1
1 350 . 9 1 1 A 33 33 ASP N N 33 126.924 125.205 1.719 1
1 351 . 9 1 1 A 34 34 GLY H H 34 4.680 7.015 -2.335 1
1 352 . 9 1 1 A 34 34 GLY HA2 H 34 4.252 3.444 0.808 1
1 353 . 9 1 1 A 34 34 GLY HA3 H 34 3.023 3.745 -0.722 1
1 354 . 9 1 1 A 34 34 GLY C C 34 172.363 174.970 -2.607 1
1 355 . 9 1 1 A 34 34 GLY CA C 34 45.672 44.904 0.768 1
1 356 . 9 1 1 A 35 35 LEU H H 35 8.148 7.896 0.252 1
1 357 . 9 1 1 A 35 35 LEU HA H 35 4.623 4.491 0.132 1
1 367 . 9 1 1 A 35 35 LEU C C 35 177.783 176.186 1.597 1
1 368 . 9 1 1 A 35 35 LEU CA C 35 55.978 55.769 0.209 1
1 369 . 9 1 1 A 35 35 LEU CB C 35 44.352 44.325 0.027 1
1 373 . 9 1 1 A 35 35 LEU N N 35 120.632 118.862 1.770 1
1 374 . 9 1 1 A 36 36 SER H H 36 9.064 7.883 1.181 1
1 375 . 9 1 1 A 36 36 SER HA H 36 5.059 5.050 0.009 1
1 378 . 9 1 1 A 36 36 SER C C 36 173.878 172.449 1.429 1
1 379 . 9 1 1 A 36 36 SER CA C 36 57.667 57.785 -0.118 1
1 380 . 9 1 1 A 36 36 SER CB C 36 66.140 67.477 -1.337 1
1 381 . 9 1 1 A 36 36 SER N N 36 115.030 111.569 3.461 1
1 382 . 9 1 1 A 37 37 ILE H H 37 8.981 9.383 -0.402 1
1 383 . 9 1 1 A 37 37 ILE HA H 37 5.055 5.066 -0.011 1
1 393 . 9 1 1 A 37 37 ILE C C 37 174.995 175.011 -0.016 1
1 394 . 9 1 1 A 37 37 ILE CA C 37 61.061 60.672 0.389 1
1 395 . 9 1 1 A 37 37 ILE CB C 37 39.355 39.524 -0.169 1
1 399 . 9 1 1 A 37 37 ILE N N 37 122.186 124.059 -1.873 1
1 400 . 9 1 1 A 38 38 SER H H 38 9.422 8.748 0.674 1
1 401 . 9 1 1 A 38 38 SER HA H 38 5.297 5.440 -0.143 1
1 404 . 9 1 1 A 38 38 SER C C 38 172.177 173.240 -1.063 1
1 405 . 9 1 1 A 38 38 SER CA C 38 56.910 56.842 0.068 1
1 406 . 9 1 1 A 38 38 SER CB C 38 66.018 64.766 1.252 1
1 407 . 9 1 1 A 38 38 SER N N 38 122.548 122.437 0.111 1
1 408 . 9 1 1 A 39 39 TYR H H 39 7.649 8.221 -0.572 1
1 409 . 9 1 1 A 39 39 TYR HA H 39 6.025 6.165 -0.140 1
1 416 . 9 1 1 A 39 39 TYR C C 39 173.937 173.925 0.012 1
1 417 . 9 1 1 A 39 39 TYR CA C 39 54.144 55.207 -1.063 1
1 418 . 9 1 1 A 39 39 TYR CB C 39 41.722 41.681 0.041 1
1 423 . 9 1 1 A 39 39 TYR N N 39 116.176 119.464 -3.288 1
1 424 . 9 1 1 A 40 40 TYR H H 40 9.647 9.372 0.275 1
1 425 . 9 1 1 A 40 40 TYR HA H 40 5.044 5.005 0.039 1
1 432 . 9 1 1 A 40 40 TYR CA C 40 56.928 56.469 0.459 1
1 433 . 9 1 1 A 40 40 TYR CB C 40 43.678 43.044 0.634 1
1 438 . 9 1 1 A 40 40 TYR N N 40 118.964 120.900 -1.936 1
1 439 . 9 1 1 A 41 41 ASN H H 41 7.712 8.701 -0.989 1
1 440 . 9 1 1 A 41 41 ASN HA H 41 4.867 5.209 -0.342 1
1 445 . 9 1 1 A 41 41 ASN CB C 41 39.279 39.297 -0.018 1
1 446 . 9 1 1 A 41 41 ASN N N 41 109.731 119.859 -10.128 1
1 448 . 9 1 1 A 42 42 ASN H H 42 9.215 9.119 0.096 1
1 449 . 9 1 1 A 42 42 ASN HA H 42 4.868 4.741 0.127 1
1 452 . 9 1 1 A 42 42 ASN CA C 42 52.812 56.634 -3.822 1
1 453 . 9 1 1 A 42 42 ASN CB C 42 39.180 39.330 -0.150 1
1 458 . 9 1 1 A 44 44 LYS CB C 44 35.364 32.753 2.611 1
1 460 . 9 1 1 A 46 46 MET H H 46 8.285 8.834 -0.549 1
1 461 . 9 1 1 A 46 46 MET HA H 46 4.218 4.935 -0.717 1
1 466 . 9 1 1 A 46 46 MET CA C 46 56.523 53.725 2.798 1
1 467 . 9 1 1 A 46 46 MET CB C 46 33.665 33.016 0.649 1
1 469 . 9 1 1 A 47 47 TYR H H 47 7.965 8.133 -0.168 1
1 470 . 9 1 1 A 47 47 TYR HA H 47 4.935 4.169 0.766 1
1 477 . 9 1 1 A 47 47 TYR CA C 47 55.861 58.957 -3.096 1
1 478 . 9 1 1 A 47 47 TYR CB C 47 38.476 35.469 3.007 1
1 483 . 9 1 1 A 47 47 TYR N N 47 117.521 120.171 -2.650 1
1 484 . 9 1 1 A 49 49 LYS H H 49 8.704 8.863 -0.159 1
1 485 . 9 1 1 A 49 49 LYS HA H 49 4.369 5.005 -0.636 1
1 494 . 9 1 1 A 49 49 LYS CA C 49 54.891 54.865 0.026 1
1 495 . 9 1 1 A 49 49 LYS CB C 49 32.501 34.931 -2.430 1
1 499 . 9 1 1 A 50 50 GLY H H 50 6.985 8.124 -1.139 1
1 500 . 9 1 1 A 50 50 GLY HA2 H 50 3.825 3.642 0.183 1
1 501 . 9 1 1 A 50 50 GLY HA3 H 50 3.265 4.073 -0.808 1
1 502 . 9 1 1 A 50 50 GLY C C 50 170.241 171.828 -1.587 1
1 503 . 9 1 1 A 50 50 GLY CA C 50 45.039 44.731 0.308 1
1 504 . 9 1 1 A 50 50 GLY N N 50 108.097 107.953 0.144 1
1 505 . 9 1 1 A 51 51 ILE H H 51 7.890 9.054 -1.164 1
1 506 . 9 1 1 A 51 51 ILE HA H 51 4.777 4.939 -0.162 1
1 516 . 9 1 1 A 51 51 ILE C C 51 175.026 173.585 1.441 1
1 517 . 9 1 1 A 51 51 ILE CA C 51 60.217 59.425 0.792 1
1 518 . 9 1 1 A 51 51 ILE CB C 51 42.388 41.806 0.582 1
1 522 . 9 1 1 A 51 51 ILE N N 51 117.769 124.082 -6.313 1
1 523 . 9 1 1 A 52 52 ILE H H 52 9.485 9.251 0.234 1
1 524 . 9 1 1 A 52 52 ILE HA H 52 4.533 4.776 -0.243 1
1 534 . 9 1 1 A 52 52 ILE C C 52 173.526 174.847 -1.321 1
1 535 . 9 1 1 A 52 52 ILE CA C 52 57.983 57.968 0.015 1
1 536 . 9 1 1 A 52 52 ILE CB C 52 40.324 39.112 1.212 1
1 540 . 9 1 1 A 52 52 ILE N N 52 127.899 129.033 -1.134 1
1 541 . 9 1 1 A 53 53 PRO HA H 53 4.501 4.994 -0.493 1
1 548 . 9 1 1 A 53 53 PRO C C 53 177.663 178.071 -0.408 1
1 549 . 9 1 1 A 53 53 PRO CA C 53 62.838 62.999 -0.161 1
1 550 . 9 1 1 A 53 53 PRO CB C 53 31.939 31.805 0.134 1
1 553 . 9 1 1 A 54 54 LEU H H 54 8.647 8.857 -0.210 1
1 554 . 9 1 1 A 54 54 LEU HA H 54 3.985 4.193 -0.208 1
1 564 . 9 1 1 A 54 54 LEU C C 54 178.940 178.121 0.819 1
1 565 . 9 1 1 A 54 54 LEU CA C 54 58.371 57.776 0.595 1
1 566 . 9 1 1 A 54 54 LEU CB C 54 42.388 41.821 0.567 1
1 570 . 9 1 1 A 54 54 LEU N N 54 124.847 127.099 -2.252 1
1 571 . 9 1 1 A 55 55 SER H H 55 8.278 8.434 -0.156 1
1 572 . 9 1 1 A 55 55 SER HA H 55 4.169 4.249 -0.080 1
1 575 . 9 1 1 A 55 55 SER C C 55 174.956 176.811 -1.855 1
1 576 . 9 1 1 A 55 55 SER CA C 55 59.971 61.508 -1.537 1
1 577 . 9 1 1 A 55 55 SER CB C 55 62.721 62.333 0.388 1
1 578 . 9 1 1 A 55 55 SER N N 55 109.639 114.720 -5.081 1
1 579 . 9 1 1 A 56 56 ALA H H 56 7.796 8.201 -0.405 1
1 580 . 9 1 1 A 56 56 ALA HA H 56 4.545 4.145 0.400 1
1 584 . 9 1 1 A 56 56 ALA C C 56 177.505 178.737 -1.232 1
1 585 . 9 1 1 A 56 56 ALA CA C 56 52.022 55.454 -3.432 1
1 586 . 9 1 1 A 56 56 ALA CB C 56 20.240 18.266 1.974 1
1 587 . 9 1 1 A 56 56 ALA N N 56 123.057 122.436 0.621 1
1 588 . 9 1 1 A 57 57 ILE H H 57 7.664 7.198 0.466 1
1 589 . 9 1 1 A 57 57 ILE HA H 57 4.035 4.032 0.003 1
1 599 . 9 1 1 A 57 57 ILE C C 57 175.285 176.068 -0.783 1
1 600 . 9 1 1 A 57 57 ILE CA C 57 62.697 62.729 -0.032 1
1 601 . 9 1 1 A 57 57 ILE CB C 57 38.474 37.812 0.662 1
1 605 . 9 1 1 A 57 57 ILE N N 57 119.512 118.649 0.863 1
1 606 . 9 1 1 A 58 58 SER H H 58 9.364 9.168 0.196 1
1 607 . 9 1 1 A 58 58 SER HA H 58 4.526 4.612 -0.086 1
1 610 . 9 1 1 A 58 58 SER C C 58 175.125 174.317 0.808 1
1 611 . 9 1 1 A 58 58 SER CA C 58 59.215 60.520 -1.305 1
1 612 . 9 1 1 A 58 58 SER CB C 58 63.590 64.501 -0.911 1
1 613 . 9 1 1 A 58 58 SER N N 58 122.513 122.602 -0.089 1
1 614 . 9 1 1 A 59 59 THR H H 59 7.502 7.504 -0.002 1
1 615 . 9 1 1 A 59 59 THR HA H 59 4.355 4.571 -0.216 1
1 620 . 9 1 1 A 59 59 THR C C 59 170.784 171.738 -0.954 1
1 621 . 9 1 1 A 59 59 THR CA C 59 61.132 61.051 0.081 1
1 622 . 9 1 1 A 59 59 THR CB C 59 68.686 70.607 -1.921 1
1 624 . 9 1 1 A 59 59 THR N N 59 112.470 111.607 0.863 1
1 625 . 9 1 1 A 60 60 VAL H H 60 7.766 8.526 -0.760 1
1 626 . 9 1 1 A 60 60 VAL HA H 60 5.326 5.184 0.142 1
1 634 . 9 1 1 A 60 60 VAL C C 60 174.166 174.069 0.097 1
1 635 . 9 1 1 A 60 60 VAL CA C 60 60.410 60.232 0.178 1
1 636 . 9 1 1 A 60 60 VAL CB C 60 34.979 34.963 0.016 1
1 639 . 9 1 1 A 60 60 VAL N N 60 121.276 125.119 -3.843 1
1 640 . 9 1 1 A 61 61 ARG H H 61 8.941 8.770 0.171 1
1 641 . 9 1 1 A 61 61 ARG HA H 61 5.053 5.076 -0.023 1
1 648 . 9 1 1 A 61 61 ARG C C 61 175.460 174.833 0.627 1
1 649 . 9 1 1 A 61 61 ARG CA C 61 54.166 54.367 -0.201 1
1 650 . 9 1 1 A 61 61 ARG CB C 61 34.000 33.785 0.215 1
1 653 . 9 1 1 A 61 61 ARG N N 61 121.101 122.940 -1.839 1
1 654 . 9 1 1 A 62 62 VAL H H 62 8.627 8.620 0.007 1
1 655 . 9 1 1 A 62 62 VAL HA H 62 4.195 4.607 -0.412 1
1 663 . 9 1 1 A 62 62 VAL C C 62 175.216 175.948 -0.732 1
1 664 . 9 1 1 A 62 62 VAL CA C 62 62.926 61.710 1.216 1
1 665 . 9 1 1 A 62 62 VAL CB C 62 33.459 32.962 0.497 1
1 668 . 9 1 1 A 62 62 VAL N N 62 118.451 118.538 -0.087 1
1 669 . 9 1 1 A 63 63 GLN H H 63 7.628 8.750 -1.122 1
1 670 . 9 1 1 A 63 63 GLN HA H 63 4.575 4.926 -0.351 1
1 677 . 9 1 1 A 63 63 GLN C C 63 174.418 176.322 -1.904 1
1 678 . 9 1 1 A 63 63 GLN CA C 63 55.451 53.901 1.550 1
1 679 . 9 1 1 A 63 63 GLN CB C 63 32.062 32.181 -0.119 1
1 681 . 9 1 1 A 63 63 GLN N N 63 123.160 121.395 1.765 1
1 683 . 9 1 1 A 64 64 GLY H H 64 8.678 8.842 -0.164 1
1 684 . 9 1 1 A 64 64 GLY HA2 H 64 4.025 3.917 0.108 1
1 685 . 9 1 1 A 64 64 GLY HA3 H 64 3.895 3.927 -0.032 1
1 686 . 9 1 1 A 64 64 GLY C C 64 174.592 174.680 -0.088 1
1 687 . 9 1 1 A 64 64 GLY CA C 64 45.531 47.131 -1.600 1
1 688 . 9 1 1 A 64 64 GLY N N 64 112.406 109.763 2.643 1
1 689 . 9 1 1 A 65 65 ASP HA H 65 4.625 4.876 -0.251 1
1 692 . 9 1 1 A 65 65 ASP C C 65 176.902 177.134 -0.232 1
1 693 . 9 1 1 A 65 65 ASP CA C 65 55.486 55.069 0.417 1
1 694 . 9 1 1 A 65 65 ASP CB C 65 40.817 43.802 -2.985 1
1 695 . 9 1 1 A 66 66 ASN H H 66 7.979 8.341 -0.362 1
1 696 . 9 1 1 A 66 66 ASN HA H 66 4.554 4.981 -0.427 1
1 701 . 9 1 1 A 66 66 ASN C C 66 174.456 173.629 0.827 1
1 702 . 9 1 1 A 66 66 ASN CA C 66 52.795 52.941 -0.146 1
1 703 . 9 1 1 A 66 66 ASN CB C 66 37.981 39.427 -1.446 1
1 704 . 9 1 1 A 66 66 ASN N N 66 112.071 113.766 -1.695 1
1 706 . 9 1 1 A 67 67 LYS H H 67 7.476 7.458 0.018 1
1 707 . 9 1 1 A 67 67 LYS HA H 67 5.914 5.040 0.874 1
1 716 . 9 1 1 A 67 67 LYS C C 67 177.922 175.445 2.477 1
1 717 . 9 1 1 A 67 67 LYS CA C 67 54.906 54.497 0.409 1
1 718 . 9 1 1 A 67 67 LYS CB C 67 36.707 36.611 0.096 1
1 722 . 9 1 1 A 67 67 LYS N N 67 115.613 116.810 -1.197 1
1 723 . 9 1 1 A 68 68 PHE H H 68 9.227 8.551 0.676 1
1 724 . 9 1 1 A 68 68 PHE HA H 68 5.296 5.245 0.051 1
1 732 . 9 1 1 A 68 68 PHE C C 68 171.230 172.116 -0.886 1
1 733 . 9 1 1 A 68 68 PHE CA C 68 56.576 55.868 0.708 1
1 734 . 9 1 1 A 68 68 PHE CB C 68 42.790 42.002 0.788 1
1 740 . 9 1 1 A 68 68 PHE N N 68 117.009 117.273 -0.264 1
1 741 . 9 1 1 A 69 69 GLU H H 69 9.527 9.210 0.317 1
1 742 . 9 1 1 A 69 69 GLU HA H 69 5.434 5.025 0.409 1
1 747 . 9 1 1 A 69 69 GLU C C 69 175.659 175.172 0.487 1
1 748 . 9 1 1 A 69 69 GLU CA C 69 53.429 54.678 -1.249 1
1 749 . 9 1 1 A 69 69 GLU CB C 69 33.460 33.094 0.366 1
1 751 . 9 1 1 A 69 69 GLU N N 69 119.470 120.176 -0.706 1
1 752 . 9 1 1 A 70 70 VAL H H 70 9.486 9.283 0.203 1
1 753 . 9 1 1 A 70 70 VAL HA H 70 4.486 4.483 0.003 1
1 761 . 9 1 1 A 70 70 VAL C C 70 174.403 175.183 -0.780 1
1 762 . 9 1 1 A 70 70 VAL CA C 70 62.240 61.483 0.757 1
1 763 . 9 1 1 A 70 70 VAL CB C 70 33.706 32.053 1.653 1
1 766 . 9 1 1 A 70 70 VAL N N 70 123.935 126.089 -2.154 1
1 767 . 9 1 1 A 71 71 VAL H H 71 8.658 8.464 0.194 1
1 768 . 9 1 1 A 71 71 VAL HA H 71 4.345 4.021 0.324 1
1 776 . 9 1 1 A 71 71 VAL C C 71 175.524 175.411 0.113 1
1 777 . 9 1 1 A 71 71 VAL CA C 71 63.365 63.448 -0.083 1
1 778 . 9 1 1 A 71 71 VAL CB C 71 32.802 31.353 1.449 1
1 781 . 9 1 1 A 71 71 VAL N N 71 129.195 128.338 0.857 1
1 782 . 9 1 1 A 72 72 THR H H 72 8.134 7.994 0.140 1
1 783 . 9 1 1 A 72 72 THR HA H 72 5.515 5.144 0.371 1
1 788 . 9 1 1 A 72 72 THR C C 72 174.609 175.787 -1.178 1
1 789 . 9 1 1 A 72 72 THR CA C 72 59.496 59.354 0.142 1
1 790 . 9 1 1 A 72 72 THR CB C 72 72.139 71.450 0.689 1
1 792 . 9 1 1 A 72 72 THR N N 72 117.639 116.746 0.893 1
1 793 . 9 1 1 A 73 73 THR H H 73 8.944 9.266 -0.322 1
1 794 . 9 1 1 A 73 73 THR HA H 73 3.966 3.950 0.016 1
1 799 . 9 1 1 A 73 73 THR C C 73 175.783 175.170 0.613 1
1 800 . 9 1 1 A 73 73 THR CA C 73 65.880 65.545 0.335 1
1 801 . 9 1 1 A 73 73 THR CB C 73 68.604 68.819 -0.215 1
1 803 . 9 1 1 A 73 73 THR N N 73 114.027 117.985 -3.958 1
1 804 . 9 1 1 A 74 74 GLN H H 74 7.997 7.731 0.266 1
1 805 . 9 1 1 A 74 74 GLN HA H 74 4.350 4.403 -0.053 1
1 812 . 9 1 1 A 74 74 GLN C C 74 175.698 175.708 -0.010 1
1 813 . 9 1 1 A 74 74 GLN CA C 74 56.910 57.114 -0.204 1
1 814 . 9 1 1 A 74 74 GLN CB C 74 30.624 29.932 0.692 1
1 816 . 9 1 1 A 74 74 GLN N N 74 115.670 118.188 -2.518 1
1 818 . 9 1 1 A 75 75 ARG H H 75 7.366 7.125 0.241 1
1 819 . 9 1 1 A 75 75 ARG HA H 75 4.395 4.507 -0.112 1
1 826 . 9 1 1 A 75 75 ARG C C 75 174.546 174.836 -0.290 1
1 827 . 9 1 1 A 75 75 ARG CA C 75 55.802 54.322 1.480 1
1 828 . 9 1 1 A 75 75 ARG CB C 75 32.514 33.438 -0.924 1
1 831 . 9 1 1 A 75 75 ARG N N 75 115.650 117.557 -1.907 1
1 832 . 9 1 1 A 76 76 THR H H 76 8.679 8.449 0.230 1
1 833 . 9 1 1 A 76 76 THR HA H 76 5.065 3.911 1.154 1
1 838 . 9 1 1 A 76 76 THR C C 76 173.239 174.109 -0.870 1
1 839 . 9 1 1 A 76 76 THR CA C 76 61.888 63.553 -1.665 1
1 840 . 9 1 1 A 76 76 THR CB C 76 69.878 69.365 0.513 1
1 842 . 9 1 1 A 76 76 THR N N 76 120.285 118.563 1.722 1
1 843 . 9 1 1 A 77 77 PHE H H 77 9.156 8.490 0.666 1
1 844 . 9 1 1 A 77 77 PHE HA H 77 4.385 4.686 -0.301 1
1 852 . 9 1 1 A 77 77 PHE C C 77 174.028 174.303 -0.275 1
1 853 . 9 1 1 A 77 77 PHE CA C 77 56.822 55.840 0.982 1
1 854 . 9 1 1 A 77 77 PHE CB C 77 41.640 42.864 -1.224 1
1 860 . 9 1 1 A 77 77 PHE N N 77 127.212 124.859 2.353 1
1 861 . 9 1 1 A 78 78 VAL H H 78 8.374 8.562 -0.188 1
1 862 . 9 1 1 A 78 78 VAL HA H 78 4.506 4.267 0.239 1
1 870 . 9 1 1 A 78 78 VAL C C 78 173.264 174.627 -1.363 1
1 871 . 9 1 1 A 78 78 VAL CA C 78 61.730 61.184 0.546 1
1 872 . 9 1 1 A 78 78 VAL CB C 78 33.254 32.904 0.350 1
1 875 . 9 1 1 A 78 78 VAL N N 78 123.393 121.415 1.978 1
1 876 . 9 1 1 A 79 79 PHE H H 79 8.458 8.032 0.426 1
1 877 . 9 1 1 A 79 79 PHE HA H 79 5.403 4.996 0.407 1
1 885 . 9 1 1 A 79 79 PHE C C 79 173.855 173.683 0.172 1
1 886 . 9 1 1 A 79 79 PHE CA C 79 55.151 55.830 -0.679 1
1 887 . 9 1 1 A 79 79 PHE CB C 79 42.913 41.401 1.512 1
1 893 . 9 1 1 A 79 79 PHE N N 79 123.801 125.282 -1.481 1
1 894 . 9 1 1 A 80 80 ARG H H 80 9.407 8.982 0.425 1
1 895 . 9 1 1 A 80 80 ARG HA H 80 5.134 5.149 -0.015 1
1 902 . 9 1 1 A 80 80 ARG C C 80 174.634 175.630 -0.996 1
1 903 . 9 1 1 A 80 80 ARG CA C 80 54.431 54.162 0.269 1
1 904 . 9 1 1 A 80 80 ARG CB C 80 35.227 33.737 1.490 1
1 907 . 9 1 1 A 80 80 ARG N N 80 121.570 124.206 -2.636 1
1 908 . 9 1 1 A 81 81 VAL H H 81 8.544 8.577 -0.033 1
1 909 . 9 1 1 A 81 81 VAL HA H 81 4.708 4.903 -0.195 1
1 917 . 9 1 1 A 81 81 VAL C C 81 175.050 175.621 -0.571 1
1 918 . 9 1 1 A 81 81 VAL CA C 81 59.602 59.636 -0.034 1
1 919 . 9 1 1 A 81 81 VAL CB C 81 33.706 34.732 -1.026 1
1 922 . 9 1 1 A 81 81 VAL N N 81 122.128 120.739 1.389 1
1 923 . 9 1 1 A 82 82 GLU H H 82 8.549 9.154 -0.605 1
1 924 . 9 1 1 A 82 82 GLU HA H 82 4.132 4.389 -0.257 1
1 929 . 9 1 1 A 82 82 GLU C C 82 176.909 176.020 0.889 1
1 930 . 9 1 1 A 82 82 GLU CA C 82 58.973 57.685 1.288 1
1 931 . 9 1 1 A 82 82 GLU CB C 82 30.582 31.345 -0.763 1
1 933 . 9 1 1 A 82 82 GLU N N 82 121.776 121.770 0.006 1
1 934 . 9 1 1 A 83 83 LYS H H 83 7.618 7.643 -0.025 1
1 935 . 9 1 1 A 83 83 LYS HA H 83 4.708 4.597 0.111 1
1 944 . 9 1 1 A 83 83 LYS C C 83 176.665 176.513 0.152 1
1 945 . 9 1 1 A 83 83 LYS CA C 83 54.694 54.903 -0.209 1
1 946 . 9 1 1 A 83 83 LYS CB C 83 34.775 35.497 -0.722 1
1 950 . 9 1 1 A 83 83 LYS N N 83 115.778 117.644 -1.866 1
1 951 . 9 1 1 A 84 84 GLU H H 84 9.150 8.948 0.202 1
1 952 . 9 1 1 A 84 84 GLU HA H 84 3.953 3.906 0.047 1
1 957 . 9 1 1 A 84 84 GLU C C 84 178.243 178.404 -0.161 1
1 958 . 9 1 1 A 84 84 GLU CA C 84 60.217 60.649 -0.432 1
1 959 . 9 1 1 A 84 84 GLU CB C 84 29.843 29.670 0.173 1
1 961 . 9 1 1 A 84 84 GLU N N 84 127.798 125.548 2.250 1
1 962 . 9 1 1 A 85 85 GLU H H 85 9.626 8.236 1.390 1
1 963 . 9 1 1 A 85 85 GLU HA H 85 4.100 4.012 0.088 1
1 968 . 9 1 1 A 85 85 GLU C C 85 178.948 179.074 -0.126 1
1 969 . 9 1 1 A 85 85 GLU CA C 85 59.847 60.019 -0.172 1
1 970 . 9 1 1 A 85 85 GLU CB C 85 28.897 29.576 -0.679 1
1 972 . 9 1 1 A 85 85 GLU N N 85 117.844 119.090 -1.246 1
1 973 . 9 1 1 A 86 86 GLU H H 86 7.257 8.522 -1.265 1
1 974 . 9 1 1 A 86 86 GLU HA H 86 4.365 3.976 0.389 1
1 979 . 9 1 1 A 86 86 GLU C C 86 178.607 178.940 -0.333 1
1 980 . 9 1 1 A 86 86 GLU CA C 86 58.089 59.312 -1.223 1
1 981 . 9 1 1 A 86 86 GLU CB C 86 30.212 29.292 0.920 1
1 983 . 9 1 1 A 86 86 GLU N N 86 118.075 117.737 0.338 1
1 984 . 9 1 1 A 87 87 ARG H H 87 7.919 7.915 0.004 1
1 985 . 9 1 1 A 87 87 ARG HA H 87 3.838 3.836 0.002 1
1 992 . 9 1 1 A 87 87 ARG C C 87 177.977 177.992 -0.015 1
1 993 . 9 1 1 A 87 87 ARG CA C 87 60.815 59.329 1.486 1
1 994 . 9 1 1 A 87 87 ARG CB C 87 28.856 30.040 -1.184 1
1 997 . 9 1 1 A 87 87 ARG N N 87 121.287 120.620 0.667 1
1 998 . 9 1 1 A 88 88 ASN H H 88 8.421 8.181 0.240 1
1 999 . 9 1 1 A 88 88 ASN HA H 88 4.295 4.422 -0.127 1
1 1004 . 9 1 1 A 88 88 ASN C C 88 177.423 177.019 0.404 1
1 1005 . 9 1 1 A 88 88 ASN CA C 88 55.627 55.914 -0.287 1
1 1006 . 9 1 1 A 88 88 ASN CB C 88 37.136 37.880 -0.744 1
1 1007 . 9 1 1 A 88 88 ASN N N 88 116.926 115.457 1.469 1
1 1009 . 9 1 1 A 89 89 ASP H H 89 7.790 7.694 0.096 1
1 1010 . 9 1 1 A 89 89 ASP HA H 89 4.389 4.246 0.143 1
1 1013 . 9 1 1 A 89 89 ASP C C 89 177.683 178.237 -0.554 1
1 1014 . 9 1 1 A 89 89 ASP CA C 89 57.737 57.295 0.442 1
1 1015 . 9 1 1 A 89 89 ASP CB C 89 41.352 41.071 0.281 1
1 1016 . 9 1 1 A 89 89 ASP N N 89 121.867 119.711 2.156 1
1 1017 . 9 1 1 A 90 90 TRP H H 90 7.690 8.355 -0.665 1
1 1018 . 9 1 1 A 90 90 TRP HA H 90 3.666 4.242 -0.576 1
1 1027 . 9 1 1 A 90 90 TRP C C 90 177.880 178.669 -0.789 1
1 1028 . 9 1 1 A 90 90 TRP CA C 90 61.704 59.658 2.046 1
1 1029 . 9 1 1 A 90 90 TRP CB C 90 29.594 29.375 0.219 1
1 1035 . 9 1 1 A 90 90 TRP N N 90 117.617 119.425 -1.808 1
1 1037 . 9 1 1 A 91 91 ILE H H 91 7.654 8.148 -0.494 1
1 1038 . 9 1 1 A 91 91 ILE HA H 91 3.275 3.599 -0.324 1
1 1048 . 9 1 1 A 91 91 ILE C C 91 177.138 177.869 -0.731 1
1 1049 . 9 1 1 A 91 91 ILE CA C 91 65.001 65.587 -0.586 1
1 1050 . 9 1 1 A 91 91 ILE CB C 91 36.913 37.456 -0.543 1
1 1054 . 9 1 1 A 91 91 ILE N N 91 114.248 120.112 -5.864 1
1 1055 . 9 1 1 A 92 92 SER H H 92 8.055 7.993 0.062 1
1 1056 . 9 1 1 A 92 92 SER HA H 92 4.045 4.032 0.013 1
1 1059 . 9 1 1 A 92 92 SER C C 92 177.204 176.217 0.987 1
1 1060 . 9 1 1 A 92 92 SER CA C 92 61.923 62.454 -0.531 1
1 1061 . 9 1 1 A 92 92 SER CB C 92 62.767 62.779 -0.012 1
1 1062 . 9 1 1 A 92 92 SER N N 92 114.018 115.889 -1.871 1
1 1063 . 9 1 1 A 93 93 ILE H H 93 7.926 7.884 0.042 1
1 1064 . 9 1 1 A 93 93 ILE HA H 93 3.795 3.724 0.071 1
1 1074 . 9 1 1 A 93 93 ILE C C 93 178.947 178.195 0.752 1
1 1075 . 9 1 1 A 93 93 ILE CA C 93 64.825 64.539 0.286 1
1 1076 . 9 1 1 A 93 93 ILE CB C 93 37.693 37.803 -0.110 1
1 1080 . 9 1 1 A 93 93 ILE N N 93 120.974 121.146 -0.172 1
1 1081 . 9 1 1 A 94 94 LEU H H 94 7.678 8.036 -0.358 1
1 1082 . 9 1 1 A 94 94 LEU HA H 94 3.634 3.739 -0.105 1
1 1092 . 9 1 1 A 94 94 LEU C C 94 178.551 178.723 -0.172 1
1 1093 . 9 1 1 A 94 94 LEU CA C 94 57.861 57.913 -0.052 1
1 1094 . 9 1 1 A 94 94 LEU CB C 94 42.356 41.771 0.585 1
1 1098 . 9 1 1 A 94 94 LEU N N 94 121.223 119.398 1.825 1
1 1099 . 9 1 1 A 95 95 LEU H H 95 8.954 8.641 0.313 1
1 1100 . 9 1 1 A 95 95 LEU HA H 95 4.037 3.950 0.087 1
1 1110 . 9 1 1 A 95 95 LEU C C 95 180.858 179.016 1.842 1
1 1111 . 9 1 1 A 95 95 LEU CA C 95 58.194 57.733 0.461 1
1 1112 . 9 1 1 A 95 95 LEU CB C 95 41.286 41.081 0.205 1
1 1116 . 9 1 1 A 95 95 LEU N N 95 118.177 118.064 0.113 1
1 1117 . 9 1 1 A 96 96 ASN H H 96 8.235 8.146 0.089 1
1 1118 . 9 1 1 A 96 96 ASN HA H 96 4.445 4.633 -0.188 1
1 1123 . 9 1 1 A 96 96 ASN C C 96 177.901 176.412 1.489 1
1 1124 . 9 1 1 A 96 96 ASN CA C 96 56.347 55.316 1.031 1
1 1125 . 9 1 1 A 96 96 ASN CB C 96 38.105 38.347 -0.242 1
1 1126 . 9 1 1 A 96 96 ASN N N 96 117.502 118.009 -0.507 1
1 1128 . 9 1 1 A 97 97 ALA H H 97 7.756 7.688 0.068 1
1 1129 . 9 1 1 A 97 97 ALA HA H 97 4.305 4.334 -0.029 1
1 1133 . 9 1 1 A 97 97 ALA C C 97 180.315 178.737 1.578 1
1 1134 . 9 1 1 A 97 97 ALA CA C 97 54.906 53.413 1.493 1
1 1135 . 9 1 1 A 97 97 ALA CB C 97 19.214 19.167 0.047 1
1 1136 . 9 1 1 A 97 97 ALA N N 97 123.457 121.668 1.789 1
1 1137 . 9 1 1 A 98 98 LEU H H 98 8.335 7.763 0.572 1
1 1138 . 9 1 1 A 98 98 LEU HA H 98 4.055 4.119 -0.064 1
1 1148 . 9 1 1 A 98 98 LEU C C 98 179.542 178.717 0.825 1
1 1149 . 9 1 1 A 98 98 LEU CA C 98 57.578 56.441 1.137 1
1 1150 . 9 1 1 A 98 98 LEU CB C 98 42.174 41.994 0.180 1
1 1154 . 9 1 1 A 98 98 LEU N N 98 119.610 118.386 1.224 1
1 1155 . 9 1 1 A 99 99 LYS H H 99 7.969 8.562 -0.593 1
1 1156 . 9 1 1 A 99 99 LYS HA H 99 4.203 4.154 0.049 1
1 1165 . 9 1 1 A 99 99 LYS C C 99 178.392 178.881 -0.489 1
1 1166 . 9 1 1 A 99 99 LYS CA C 99 58.563 59.186 -0.623 1
1 1167 . 9 1 1 A 99 99 LYS CB C 99 32.267 32.287 -0.020 1
1 1171 . 9 1 1 A 99 99 LYS N N 99 119.323 119.529 -0.206 1
1 1172 . 9 1 1 A 100 100 SER H H 100 7.854 7.989 -0.135 1
1 1173 . 9 1 1 A 100 100 SER HA H 100 4.404 4.193 0.211 1
1 1176 . 9 1 1 A 100 100 SER C C 100 175.449 176.304 -0.855 1
1 1177 . 9 1 1 A 100 100 SER CA C 100 60.076 61.282 -1.206 1
1 1178 . 9 1 1 A 100 100 SER CB C 100 63.600 63.145 0.455 1
1 1179 . 9 1 1 A 100 100 SER N N 100 114.116 115.294 -1.178 1
1 1180 . 9 1 1 A 101 101 GLN H H 101 7.863 8.269 -0.406 1
1 1181 . 9 1 1 A 101 101 GLN HA H 101 4.294 4.199 0.095 1
1 1188 . 9 1 1 A 101 101 GLN C C 101 176.613 178.267 -1.654 1
1 1189 . 9 1 1 A 101 101 GLN CA C 101 57.121 56.856 0.265 1
1 1190 . 9 1 1 A 101 101 GLN CB C 101 29.761 28.420 1.341 1
1 1192 . 9 1 1 A 101 101 GLN N N 101 120.923 118.702 2.221 1
1 1194 . 9 1 1 A 102 102 SER H H 102 8.170 7.822 0.348 1
1 1195 . 9 1 1 A 102 102 SER HA H 102 4.445 4.328 0.117 1
1 1198 . 9 1 1 A 102 102 SER C C 102 175.030 174.545 0.485 1
1 1199 . 9 1 1 A 102 102 SER CA C 102 59.162 60.627 -1.465 1
1 1200 . 9 1 1 A 102 102 SER CB C 102 63.466 63.420 0.046 1
1 1201 . 9 1 1 A 102 102 SER N N 102 115.689 115.048 0.641 1
1 1202 . 9 1 1 A 103 103 LEU H H 103 8.111 7.409 0.702 1
1 1203 . 9 1 1 A 103 103 LEU HA H 103 4.400 4.210 0.190 1
1 1213 . 9 1 1 A 103 103 LEU C C 103 178.263 176.914 1.349 1
1 1214 . 9 1 1 A 103 103 LEU CA C 103 55.908 55.312 0.596 1
1 1215 . 9 1 1 A 103 103 LEU CB C 103 42.215 42.103 0.112 1
1 1219 . 9 1 1 A 103 103 LEU N N 103 123.252 123.477 -0.225 1
1 1220 . 9 1 1 A 104 104 THR H H 104 8.064 8.323 -0.259 1
1 1221 . 9 1 1 A 104 104 THR HA H 104 4.354 4.135 0.219 1
1 1226 . 9 1 1 A 104 104 THR C C 104 175.092 174.078 1.014 1
1 1227 . 9 1 1 A 104 104 THR CA C 104 62.368 64.158 -1.790 1
1 1228 . 9 1 1 A 104 104 THR CB C 104 69.673 69.033 0.640 1
1 1230 . 9 1 1 A 104 104 THR N N 104 113.441 118.692 -5.251 1
1 1231 . 9 1 1 A 105 105 SER H H 105 8.231 8.796 -0.565 1
1 1232 . 9 1 1 A 105 105 SER C C 105 177.959 172.989 4.970 1
1 1233 . 9 1 1 A 105 105 SER CA C 105 58.406 56.188 2.218 1
1 1234 . 9 1 1 A 105 105 SER CB C 105 63.507 66.323 -2.816 1
1 1235 . 9 1 1 A 105 105 SER N N 105 117.638 122.200 -4.562 1
1 1236 . 9 1 1 A 106 106 GLN HA H 106 4.365 4.411 -0.046 1
1 1239 . 9 1 1 A 106 106 GLN C C 106 176.322 174.686 1.636 1
1 1240 . 9 1 1 A 106 106 GLN CA C 106 56.189 55.615 0.574 1
1 1241 . 9 1 1 A 106 106 GLN CB C 106 29.226 27.992 1.234 1
1 1243 . 9 1 1 A 107 107 SER H H 107 8.287 8.038 0.249 1
1 1244 . 9 1 1 A 107 107 SER HA H 107 4.404 4.919 -0.515 1
1 1246 . 9 1 1 A 107 107 SER C C 107 174.687 173.067 1.620 1
1 1247 . 9 1 1 A 107 107 SER CA C 107 58.722 57.167 1.555 1
1 1248 . 9 1 1 A 107 107 SER CB C 107 63.713 66.131 -2.418 1
1 1249 . 9 1 1 A 107 107 SER N N 107 116.578 119.174 -2.596 1
1 1250 . 9 1 1 A 108 108 GLN H H 108 8.354 8.422 -0.068 1
1 1251 . 9 1 1 A 108 108 GLN HA H 108 4.349 4.247 0.102 1
1 1258 . 9 1 1 A 108 108 GLN C C 108 175.798 175.521 0.277 1
1 1259 . 9 1 1 A 108 108 GLN CA C 108 55.820 56.071 -0.251 1
1 1260 . 9 1 1 A 108 108 GLN CB C 108 29.432 28.970 0.462 1
1 1262 . 9 1 1 A 108 108 GLN N N 108 122.015 121.646 0.369 1
1 1264 . 9 1 1 A 109 109 ALA H H 109 8.301 8.705 -0.404 1
1 1265 . 9 1 1 A 109 109 ALA HA H 109 4.345 4.900 -0.555 1
1 1269 . 9 1 1 A 109 109 ALA C C 109 177.749 175.767 1.982 1
1 1270 . 9 1 1 A 109 109 ALA CA C 109 52.672 51.614 1.058 1
1 1271 . 9 1 1 A 109 109 ALA CB C 109 19.237 23.149 -3.912 1
1 1272 . 9 1 1 A 109 109 ALA N N 109 125.243 123.598 1.645 1
1 1273 . 9 1 1 A 110 110 SER H H 110 8.290 8.623 -0.333 1
1 1274 . 9 1 1 A 110 110 SER HA H 110 4.459 5.104 -0.645 1
1 1277 . 9 1 1 A 110 110 SER C C 110 174.593 174.164 0.429 1
1 1278 . 9 1 1 A 110 110 SER CA C 110 58.248 55.842 2.406 1
1 1279 . 9 1 1 A 110 110 SER CB C 110 63.918 66.212 -2.294 1
1 1280 . 9 1 1 A 110 110 SER N N 110 115.148 113.780 1.368 1
1 1281 . 9 1 1 A 111 111 GLY H H 111 8.199 8.807 -0.608 1
1 1282 . 9 1 1 A 111 111 GLY HA2 H 111 4.167 3.901 0.266 1
1 1283 . 9 1 1 A 111 111 GLY HA3 H 111 4.094 3.902 0.192 1
1 1284 . 9 1 1 A 111 111 GLY C C 111 171.782 175.795 -4.013 1
1 1285 . 9 1 1 A 111 111 GLY CA C 111 44.652 46.985 -2.333 1
1 1286 . 9 1 1 A 111 111 GLY N N 111 110.586 111.217 -0.631 1
1 1287 . 9 1 1 A 112 112 PRO HA H 112 4.471 4.479 -0.008 1
1 1294 . 9 1 1 A 112 112 PRO CA C 112 63.154 64.002 -0.848 1
1 1295 . 9 1 1 A 112 112 PRO CB C 112 32.314 31.576 0.738 1
1 1 . 10 1 1 A 7 7 GLY H H 7 9.055 8.750 0.305 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.908 4.072 -0.164 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 3.968 4.077 -0.109 1
1 4 . 10 1 1 A 7 7 GLY C C 7 173.671 174.544 -0.873 1
1 5 . 10 1 1 A 7 7 GLY CA C 7 45.421 45.337 0.084 1
1 6 . 10 1 1 A 8 8 LYS H H 8 8.145 7.751 0.394 1
1 7 . 10 1 1 A 8 8 LYS HA H 8 4.345 4.437 -0.092 1
1 16 . 10 1 1 A 8 8 LYS C C 8 175.255 175.893 -0.638 1
1 17 . 10 1 1 A 8 8 LYS CA C 8 56.330 56.052 0.278 1
1 18 . 10 1 1 A 8 8 LYS CB C 8 33.583 33.014 0.569 1
1 22 . 10 1 1 A 8 8 LYS N N 8 120.101 121.264 -1.163 1
1 23 . 10 1 1 A 9 9 VAL H H 9 7.579 7.478 0.101 1
1 24 . 10 1 1 A 9 9 VAL HA H 9 4.473 4.990 -0.517 1
1 32 . 10 1 1 A 9 9 VAL C C 9 174.860 174.437 0.423 1
1 33 . 10 1 1 A 9 9 VAL CA C 9 59.989 58.558 1.431 1
1 34 . 10 1 1 A 9 9 VAL CB C 9 34.218 36.229 -2.011 1
1 37 . 10 1 1 A 9 9 VAL N N 9 114.437 118.032 -3.595 1
1 38 . 10 1 1 A 10 10 LYS H H 10 8.236 8.277 -0.041 1
1 39 . 10 1 1 A 10 10 LYS HA H 10 4.345 4.603 -0.258 1
1 48 . 10 1 1 A 10 10 LYS C C 10 172.963 174.048 -1.085 1
1 49 . 10 1 1 A 10 10 LYS CA C 10 56.096 55.863 0.233 1
1 50 . 10 1 1 A 10 10 LYS CB C 10 36.131 36.239 -0.108 1
1 54 . 10 1 1 A 10 10 LYS N N 10 122.938 121.811 1.127 1
1 55 . 10 1 1 A 11 11 SER H H 11 8.168 8.398 -0.230 1
1 56 . 10 1 1 A 11 11 SER HA H 11 5.669 5.721 -0.052 1
1 59 . 10 1 1 A 11 11 SER C C 11 173.281 173.180 0.101 1
1 60 . 10 1 1 A 11 11 SER CA C 11 55.960 57.426 -1.466 1
1 61 . 10 1 1 A 11 11 SER CB C 11 66.326 66.429 -0.103 1
1 62 . 10 1 1 A 11 11 SER N N 11 119.068 120.612 -1.544 1
1 63 . 10 1 1 A 12 12 GLY H H 12 8.248 7.666 0.582 1
1 64 . 10 1 1 A 12 12 GLY HA2 H 12 4.168 3.547 0.621 1
1 65 . 10 1 1 A 12 12 GLY HA3 H 12 3.478 4.061 -0.583 1
1 66 . 10 1 1 A 12 12 GLY C C 12 170.778 171.461 -0.683 1
1 67 . 10 1 1 A 12 12 GLY CA C 12 45.654 45.164 0.490 1
1 68 . 10 1 1 A 12 12 GLY N N 12 108.756 110.541 -1.785 1
1 69 . 10 1 1 A 13 13 TRP H H 13 8.622 8.415 0.207 1
1 70 . 10 1 1 A 13 13 TRP HA H 13 5.398 4.715 0.683 1
1 79 . 10 1 1 A 13 13 TRP C C 13 177.511 176.305 1.206 1
1 80 . 10 1 1 A 13 13 TRP CA C 13 57.069 58.126 -1.057 1
1 81 . 10 1 1 A 13 13 TRP CB C 13 30.295 29.472 0.823 1
1 87 . 10 1 1 A 13 13 TRP N N 13 119.518 121.727 -2.209 1
1 89 . 10 1 1 A 14 14 LEU H H 14 9.524 8.562 0.962 1
1 90 . 10 1 1 A 14 14 LEU HA H 14 4.791 5.057 -0.266 1
1 100 . 10 1 1 A 14 14 LEU C C 14 175.381 175.132 0.249 1
1 101 . 10 1 1 A 14 14 LEU CA C 14 54.096 53.590 0.506 1
1 102 . 10 1 1 A 14 14 LEU CB C 14 47.682 45.370 2.312 1
1 106 . 10 1 1 A 14 14 LEU N N 14 124.165 125.524 -1.359 1
1 107 . 10 1 1 A 15 15 ASP H H 15 8.335 8.083 0.252 1
1 108 . 10 1 1 A 15 15 ASP HA H 15 5.424 5.085 0.339 1
1 111 . 10 1 1 A 15 15 ASP C C 15 175.302 174.854 0.448 1
1 112 . 10 1 1 A 15 15 ASP CA C 15 53.252 53.826 -0.574 1
1 113 . 10 1 1 A 15 15 ASP CB C 15 42.420 41.803 0.617 1
1 114 . 10 1 1 A 15 15 ASP N N 15 120.275 121.778 -1.503 1
1 115 . 10 1 1 A 16 16 LYS H H 16 9.444 8.723 0.721 1
1 116 . 10 1 1 A 16 16 LYS HA H 16 4.781 4.618 0.163 1
1 125 . 10 1 1 A 16 16 LYS C C 16 176.244 174.798 1.446 1
1 126 . 10 1 1 A 16 16 LYS CA C 16 54.782 54.482 0.300 1
1 127 . 10 1 1 A 16 16 LYS CB C 16 36.666 34.522 2.144 1
1 131 . 10 1 1 A 16 16 LYS N N 16 125.854 125.874 -0.020 1
1 132 . 10 1 1 A 17 17 LEU H H 17 8.387 8.509 -0.122 1
1 133 . 10 1 1 A 17 17 LEU HA H 17 3.476 4.550 -1.074 1
1 143 . 10 1 1 A 17 17 LEU C C 17 175.840 176.464 -0.624 1
1 144 . 10 1 1 A 17 17 LEU CA C 17 55.715 53.676 2.039 1
1 145 . 10 1 1 A 17 17 LEU CB C 17 41.986 43.489 -1.503 1
1 149 . 10 1 1 A 17 17 LEU N N 17 130.736 129.369 1.367 1
1 150 . 10 1 1 A 18 18 SER H H 18 8.378 8.963 -0.585 1
1 151 . 10 1 1 A 18 18 SER HA H 18 4.563 4.125 0.438 1
1 154 . 10 1 1 A 18 18 SER C C 18 172.291 175.236 -2.945 1
1 155 . 10 1 1 A 18 18 SER CA C 18 55.697 58.810 -3.113 1
1 156 . 10 1 1 A 18 18 SER CB C 18 62.885 61.715 1.170 1
1 157 . 10 1 1 A 18 18 SER N N 18 123.037 122.294 0.743 1
1 158 . 10 1 1 A 19 19 PRO HA H 19 4.414 4.360 0.054 1
1 165 . 10 1 1 A 19 19 PRO CA C 19 63.946 64.319 -0.373 1
1 166 . 10 1 1 A 19 19 PRO CB C 19 32.128 31.757 0.371 1
1 169 . 10 1 1 A 20 20 GLN H H 20 8.085 8.456 -0.371 1
1 170 . 10 1 1 A 20 20 GLN HA H 20 4.353 4.632 -0.279 1
1 175 . 10 1 1 A 20 20 GLN CA C 20 55.533 57.209 -1.676 1
1 176 . 10 1 1 A 20 20 GLN CB C 20 30.130 31.448 -1.318 1
1 178 . 10 1 1 A 20 20 GLN N N 20 119.721 117.583 2.138 1
1 179 . 10 1 1 A 22 22 LYS H H 22 8.151 7.612 0.539 1
1 180 . 10 1 1 A 22 22 LYS HA H 22 4.165 4.655 -0.490 1
1 185 . 10 1 1 A 22 22 LYS C C 22 176.016 174.259 1.757 1
1 186 . 10 1 1 A 22 22 LYS CA C 22 56.717 55.838 0.879 1
1 187 . 10 1 1 A 22 22 LYS CB C 22 32.303 35.959 -3.656 1
1 191 . 10 1 1 A 23 23 ARG H H 23 8.329 8.548 -0.219 1
1 192 . 10 1 1 A 23 23 ARG HA H 23 3.937 4.595 -0.658 1
1 199 . 10 1 1 A 23 23 ARG C C 23 174.937 173.688 1.249 1
1 200 . 10 1 1 A 23 23 ARG CA C 23 56.436 55.338 1.098 1
1 201 . 10 1 1 A 23 23 ARG CB C 23 29.144 34.393 -5.249 1
1 204 . 10 1 1 A 23 23 ARG N N 23 119.006 125.525 -6.519 1
1 205 . 10 1 1 A 24 24 MET H H 24 7.965 8.440 -0.475 1
1 206 . 10 1 1 A 24 24 MET HA H 24 4.492 4.323 0.169 1
1 209 . 10 1 1 A 24 24 MET C C 24 174.737 176.028 -1.291 1
1 210 . 10 1 1 A 24 24 MET CA C 24 55.134 55.733 -0.599 1
1 211 . 10 1 1 A 24 24 MET CB C 24 33.665 33.694 -0.029 1
1 213 . 10 1 1 A 24 24 MET N N 24 120.460 122.597 -2.137 1
1 214 . 10 1 1 A 25 25 PHE H H 25 8.593 8.219 0.374 1
1 215 . 10 1 1 A 25 25 PHE HA H 25 4.788 4.343 0.445 1
1 223 . 10 1 1 A 25 25 PHE C C 25 175.712 175.295 0.417 1
1 224 . 10 1 1 A 25 25 PHE CA C 25 57.421 59.080 -1.659 1
1 225 . 10 1 1 A 25 25 PHE CB C 25 41.890 39.047 2.843 1
1 231 . 10 1 1 A 25 25 PHE N N 25 121.330 122.140 -0.810 1
1 232 . 10 1 1 A 26 26 GLN H H 26 8.758 8.758 0.000 1
1 233 . 10 1 1 A 26 26 GLN HA H 26 4.777 4.676 0.101 1
1 240 . 10 1 1 A 26 26 GLN C C 26 175.149 175.390 -0.241 1
1 241 . 10 1 1 A 26 26 GLN CA C 26 53.991 55.039 -1.048 1
1 242 . 10 1 1 A 26 26 GLN CB C 26 32.144 29.492 2.652 1
1 244 . 10 1 1 A 26 26 GLN N N 26 119.081 125.382 -6.301 1
1 246 . 10 1 1 A 27 27 LYS H H 27 8.913 8.757 0.156 1
1 247 . 10 1 1 A 27 27 LYS HA H 27 4.933 4.385 0.548 1
1 256 . 10 1 1 A 27 27 LYS C C 27 177.786 175.495 2.291 1
1 257 . 10 1 1 A 27 27 LYS CA C 27 57.843 57.412 0.431 1
1 258 . 10 1 1 A 27 27 LYS CB C 27 32.720 33.265 -0.545 1
1 262 . 10 1 1 A 27 27 LYS N N 27 126.903 129.287 -2.384 1
1 263 . 10 1 1 A 28 28 ARG H H 28 9.847 9.265 0.582 1
1 264 . 10 1 1 A 28 28 ARG HA H 28 5.236 5.275 -0.039 1
1 271 . 10 1 1 A 28 28 ARG C C 28 173.319 175.103 -1.784 1
1 272 . 10 1 1 A 28 28 ARG CA C 28 53.481 54.742 -1.261 1
1 273 . 10 1 1 A 28 28 ARG CB C 28 34.405 34.325 0.080 1
1 276 . 10 1 1 A 28 28 ARG N N 28 127.032 125.503 1.529 1
1 277 . 10 1 1 A 29 29 TRP H H 29 8.408 8.932 -0.524 1
1 278 . 10 1 1 A 29 29 TRP HA H 29 4.424 4.618 -0.194 1
1 285 . 10 1 1 A 29 29 TRP C C 29 174.606 174.802 -0.196 1
1 286 . 10 1 1 A 29 29 TRP CA C 29 56.383 58.187 -1.804 1
1 287 . 10 1 1 A 29 29 TRP CB C 29 29.226 29.367 -0.141 1
1 292 . 10 1 1 A 29 29 TRP N N 29 124.511 126.613 -2.102 1
1 293 . 10 1 1 A 30 30 VAL H H 30 8.464 7.878 0.586 1
1 294 . 10 1 1 A 30 30 VAL HA H 30 4.736 4.744 -0.008 1
1 302 . 10 1 1 A 30 30 VAL C C 30 172.903 174.174 -1.271 1
1 303 . 10 1 1 A 30 30 VAL CA C 30 61.219 60.805 0.414 1
1 304 . 10 1 1 A 30 30 VAL CB C 30 32.925 33.720 -0.795 1
1 307 . 10 1 1 A 30 30 VAL N N 30 129.572 127.321 2.251 1
1 308 . 10 1 1 A 31 31 LYS H H 31 9.125 8.704 0.421 1
1 309 . 10 1 1 A 31 31 LYS HA H 31 5.095 5.490 -0.395 1
1 318 . 10 1 1 A 31 31 LYS C C 31 175.396 174.045 1.351 1
1 319 . 10 1 1 A 31 31 LYS CA C 31 54.677 54.816 -0.139 1
1 320 . 10 1 1 A 31 31 LYS CB C 31 37.036 36.446 0.590 1
1 324 . 10 1 1 A 31 31 LYS N N 31 124.358 127.833 -3.475 1
1 325 . 10 1 1 A 32 32 PHE H H 32 9.725 8.861 0.864 1
1 326 . 10 1 1 A 32 32 PHE HA H 32 5.905 5.307 0.598 1
1 334 . 10 1 1 A 32 32 PHE C C 32 174.555 174.666 -0.111 1
1 335 . 10 1 1 A 32 32 PHE CA C 32 56.224 56.250 -0.026 1
1 336 . 10 1 1 A 32 32 PHE CB C 32 41.804 42.591 -0.787 1
1 342 . 10 1 1 A 32 32 PHE N N 32 125.979 127.632 -1.653 1
1 343 . 10 1 1 A 33 33 ASP H H 33 7.884 7.978 -0.094 1
1 344 . 10 1 1 A 33 33 ASP HA H 33 4.555 4.692 -0.137 1
1 347 . 10 1 1 A 33 33 ASP C C 33 175.730 176.939 -1.209 1
1 348 . 10 1 1 A 33 33 ASP CA C 33 52.602 52.762 -0.160 1
1 349 . 10 1 1 A 33 33 ASP CB C 33 41.686 40.943 0.743 1
1 350 . 10 1 1 A 33 33 ASP N N 33 126.924 124.164 2.760 1
1 351 . 10 1 1 A 34 34 GLY H H 34 4.680 6.162 -1.482 1
1 352 . 10 1 1 A 34 34 GLY HA2 H 34 4.252 3.315 0.937 1
1 353 . 10 1 1 A 34 34 GLY HA3 H 34 3.023 3.678 -0.655 1
1 354 . 10 1 1 A 34 34 GLY C C 34 172.363 175.510 -3.147 1
1 355 . 10 1 1 A 34 34 GLY CA C 34 45.672 44.937 0.735 1
1 356 . 10 1 1 A 35 35 LEU H H 35 8.148 7.880 0.268 1
1 357 . 10 1 1 A 35 35 LEU HA H 35 4.623 4.041 0.582 1
1 367 . 10 1 1 A 35 35 LEU C C 35 177.783 176.999 0.784 1
1 368 . 10 1 1 A 35 35 LEU CA C 35 55.978 57.677 -1.699 1
1 369 . 10 1 1 A 35 35 LEU CB C 35 44.352 41.895 2.457 1
1 373 . 10 1 1 A 35 35 LEU N N 35 120.632 121.833 -1.201 1
1 374 . 10 1 1 A 36 36 SER H H 36 9.064 7.782 1.282 1
1 375 . 10 1 1 A 36 36 SER HA H 36 5.059 5.122 -0.063 1
1 378 . 10 1 1 A 36 36 SER C C 36 173.878 172.624 1.254 1
1 379 . 10 1 1 A 36 36 SER CA C 36 57.667 57.796 -0.129 1
1 380 . 10 1 1 A 36 36 SER CB C 36 66.140 67.369 -1.229 1
1 381 . 10 1 1 A 36 36 SER N N 36 115.030 110.754 4.276 1
1 382 . 10 1 1 A 37 37 ILE H H 37 8.981 9.125 -0.144 1
1 383 . 10 1 1 A 37 37 ILE HA H 37 5.055 5.398 -0.343 1
1 393 . 10 1 1 A 37 37 ILE C C 37 174.995 174.291 0.704 1
1 394 . 10 1 1 A 37 37 ILE CA C 37 61.061 60.763 0.298 1
1 395 . 10 1 1 A 37 37 ILE CB C 37 39.355 38.660 0.695 1
1 399 . 10 1 1 A 37 37 ILE N N 37 122.186 122.180 0.006 1
1 400 . 10 1 1 A 38 38 SER H H 38 9.422 9.070 0.352 1
1 401 . 10 1 1 A 38 38 SER HA H 38 5.297 4.906 0.391 1
1 404 . 10 1 1 A 38 38 SER C C 38 172.177 172.454 -0.277 1
1 405 . 10 1 1 A 38 38 SER CA C 38 56.910 56.763 0.147 1
1 406 . 10 1 1 A 38 38 SER CB C 38 66.018 63.925 2.093 1
1 407 . 10 1 1 A 38 38 SER N N 38 122.548 123.849 -1.301 1
1 408 . 10 1 1 A 39 39 TYR H H 39 7.649 8.357 -0.708 1
1 409 . 10 1 1 A 39 39 TYR HA H 39 6.025 5.972 0.053 1
1 416 . 10 1 1 A 39 39 TYR C C 39 173.937 174.156 -0.219 1
1 417 . 10 1 1 A 39 39 TYR CA C 39 54.144 55.238 -1.094 1
1 418 . 10 1 1 A 39 39 TYR CB C 39 41.722 41.554 0.168 1
1 423 . 10 1 1 A 39 39 TYR N N 39 116.176 124.823 -8.647 1
1 424 . 10 1 1 A 40 40 TYR H H 40 9.647 9.133 0.514 1
1 425 . 10 1 1 A 40 40 TYR HA H 40 5.044 5.284 -0.240 1
1 432 . 10 1 1 A 40 40 TYR CA C 40 56.928 56.779 0.149 1
1 433 . 10 1 1 A 40 40 TYR CB C 40 43.678 43.136 0.542 1
1 438 . 10 1 1 A 40 40 TYR N N 40 118.964 120.285 -1.321 1
1 439 . 10 1 1 A 41 41 ASN H H 41 7.712 9.154 -1.442 1
1 440 . 10 1 1 A 41 41 ASN HA H 41 4.867 5.715 -0.848 1
1 445 . 10 1 1 A 41 41 ASN CB C 41 39.279 41.229 -1.950 1
1 446 . 10 1 1 A 41 41 ASN N N 41 109.731 117.409 -7.678 1
1 448 . 10 1 1 A 42 42 ASN H H 42 9.215 8.788 0.427 1
1 449 . 10 1 1 A 42 42 ASN HA H 42 4.868 4.942 -0.074 1
1 452 . 10 1 1 A 42 42 ASN CA C 42 52.812 52.741 0.071 1
1 453 . 10 1 1 A 42 42 ASN CB C 42 39.180 39.388 -0.208 1
1 458 . 10 1 1 A 44 44 LYS CB C 44 35.364 37.033 -1.669 1
1 460 . 10 1 1 A 46 46 MET H H 46 8.285 8.264 0.021 1
1 461 . 10 1 1 A 46 46 MET HA H 46 4.218 4.057 0.161 1
1 466 . 10 1 1 A 46 46 MET CA C 46 56.523 58.556 -2.033 1
1 467 . 10 1 1 A 46 46 MET CB C 46 33.665 33.708 -0.043 1
1 469 . 10 1 1 A 47 47 TYR H H 47 7.965 7.632 0.333 1
1 470 . 10 1 1 A 47 47 TYR HA H 47 4.935 5.159 -0.224 1
1 477 . 10 1 1 A 47 47 TYR CA C 47 55.861 56.701 -0.840 1
1 478 . 10 1 1 A 47 47 TYR CB C 47 38.476 43.131 -4.655 1
1 483 . 10 1 1 A 47 47 TYR N N 47 117.521 114.870 2.651 1
1 484 . 10 1 1 A 49 49 LYS H H 49 8.704 7.750 0.954 1
1 485 . 10 1 1 A 49 49 LYS HA H 49 4.369 4.758 -0.389 1
1 494 . 10 1 1 A 49 49 LYS CA C 49 54.891 54.982 -0.091 1
1 495 . 10 1 1 A 49 49 LYS CB C 49 32.501 37.222 -4.721 1
1 499 . 10 1 1 A 50 50 GLY H H 50 6.985 8.465 -1.480 1
1 500 . 10 1 1 A 50 50 GLY HA2 H 50 3.825 3.407 0.418 1
1 501 . 10 1 1 A 50 50 GLY HA3 H 50 3.265 4.124 -0.859 1
1 502 . 10 1 1 A 50 50 GLY C C 50 170.241 172.173 -1.932 1
1 503 . 10 1 1 A 50 50 GLY CA C 50 45.039 45.036 0.003 1
1 504 . 10 1 1 A 50 50 GLY N N 50 108.097 108.476 -0.379 1
1 505 . 10 1 1 A 51 51 ILE H H 51 7.890 8.945 -1.055 1
1 506 . 10 1 1 A 51 51 ILE HA H 51 4.777 5.126 -0.349 1
1 516 . 10 1 1 A 51 51 ILE C C 51 175.026 173.391 1.635 1
1 517 . 10 1 1 A 51 51 ILE CA C 51 60.217 59.006 1.211 1
1 518 . 10 1 1 A 51 51 ILE CB C 51 42.388 42.008 0.380 1
1 522 . 10 1 1 A 51 51 ILE N N 51 117.769 125.168 -7.399 1
1 523 . 10 1 1 A 52 52 ILE H H 52 9.485 9.256 0.229 1
1 524 . 10 1 1 A 52 52 ILE HA H 52 4.533 4.788 -0.255 1
1 534 . 10 1 1 A 52 52 ILE C C 52 173.526 174.703 -1.177 1
1 535 . 10 1 1 A 52 52 ILE CA C 52 57.983 57.895 0.088 1
1 536 . 10 1 1 A 52 52 ILE CB C 52 40.324 39.625 0.699 1
1 540 . 10 1 1 A 52 52 ILE N N 52 127.899 128.525 -0.626 1
1 541 . 10 1 1 A 53 53 PRO HA H 53 4.501 4.891 -0.390 1
1 548 . 10 1 1 A 53 53 PRO C C 53 177.663 178.088 -0.425 1
1 549 . 10 1 1 A 53 53 PRO CA C 53 62.838 63.089 -0.251 1
1 550 . 10 1 1 A 53 53 PRO CB C 53 31.939 31.847 0.092 1
1 553 . 10 1 1 A 54 54 LEU H H 54 8.647 9.008 -0.361 1
1 554 . 10 1 1 A 54 54 LEU HA H 54 3.985 4.219 -0.234 1
1 564 . 10 1 1 A 54 54 LEU C C 54 178.940 177.793 1.147 1
1 565 . 10 1 1 A 54 54 LEU CA C 54 58.371 57.988 0.383 1
1 566 . 10 1 1 A 54 54 LEU CB C 54 42.388 41.553 0.835 1
1 570 . 10 1 1 A 54 54 LEU N N 54 124.847 127.177 -2.330 1
1 571 . 10 1 1 A 55 55 SER H H 55 8.278 8.230 0.048 1
1 572 . 10 1 1 A 55 55 SER HA H 55 4.169 4.072 0.097 1
1 575 . 10 1 1 A 55 55 SER C C 55 174.956 176.950 -1.994 1
1 576 . 10 1 1 A 55 55 SER CA C 55 59.971 61.656 -1.685 1
1 577 . 10 1 1 A 55 55 SER CB C 55 62.721 62.967 -0.246 1
1 578 . 10 1 1 A 55 55 SER N N 55 109.639 114.446 -4.807 1
1 579 . 10 1 1 A 56 56 ALA H H 56 7.796 7.999 -0.203 1
1 580 . 10 1 1 A 56 56 ALA HA H 56 4.545 4.140 0.405 1
1 584 . 10 1 1 A 56 56 ALA C C 56 177.505 178.703 -1.198 1
1 585 . 10 1 1 A 56 56 ALA CA C 56 52.022 55.400 -3.378 1
1 586 . 10 1 1 A 56 56 ALA CB C 56 20.240 18.541 1.699 1
1 587 . 10 1 1 A 56 56 ALA N N 56 123.057 122.002 1.055 1
1 588 . 10 1 1 A 57 57 ILE H H 57 7.664 7.418 0.246 1
1 589 . 10 1 1 A 57 57 ILE HA H 57 4.035 4.428 -0.393 1
1 599 . 10 1 1 A 57 57 ILE C C 57 175.285 175.969 -0.684 1
1 600 . 10 1 1 A 57 57 ILE CA C 57 62.697 62.250 0.447 1
1 601 . 10 1 1 A 57 57 ILE CB C 57 38.474 37.288 1.186 1
1 605 . 10 1 1 A 57 57 ILE N N 57 119.512 117.450 2.062 1
1 606 . 10 1 1 A 58 58 SER H H 58 9.364 9.227 0.137 1
1 607 . 10 1 1 A 58 58 SER HA H 58 4.526 4.495 0.031 1
1 610 . 10 1 1 A 58 58 SER C C 58 175.125 174.622 0.503 1
1 611 . 10 1 1 A 58 58 SER CA C 58 59.215 60.573 -1.358 1
1 612 . 10 1 1 A 58 58 SER CB C 58 63.590 64.263 -0.673 1
1 613 . 10 1 1 A 58 58 SER N N 58 122.513 124.282 -1.769 1
1 614 . 10 1 1 A 59 59 THR H H 59 7.502 7.506 -0.004 1
1 615 . 10 1 1 A 59 59 THR HA H 59 4.355 4.590 -0.235 1
1 620 . 10 1 1 A 59 59 THR C C 59 170.784 171.855 -1.071 1
1 621 . 10 1 1 A 59 59 THR CA C 59 61.132 61.253 -0.121 1
1 622 . 10 1 1 A 59 59 THR CB C 59 68.686 71.014 -2.328 1
1 624 . 10 1 1 A 59 59 THR N N 59 112.470 111.806 0.664 1
1 625 . 10 1 1 A 60 60 VAL H H 60 7.766 8.541 -0.775 1
1 626 . 10 1 1 A 60 60 VAL HA H 60 5.326 5.473 -0.147 1
1 634 . 10 1 1 A 60 60 VAL C C 60 174.166 174.316 -0.150 1
1 635 . 10 1 1 A 60 60 VAL CA C 60 60.410 60.529 -0.119 1
1 636 . 10 1 1 A 60 60 VAL CB C 60 34.979 34.934 0.045 1
1 639 . 10 1 1 A 60 60 VAL N N 60 121.276 125.798 -4.522 1
1 640 . 10 1 1 A 61 61 ARG H H 61 8.941 8.883 0.058 1
1 641 . 10 1 1 A 61 61 ARG HA H 61 5.053 5.074 -0.021 1
1 648 . 10 1 1 A 61 61 ARG C C 61 175.460 175.001 0.459 1
1 649 . 10 1 1 A 61 61 ARG CA C 61 54.166 54.480 -0.314 1
1 650 . 10 1 1 A 61 61 ARG CB C 61 34.000 33.862 0.138 1
1 653 . 10 1 1 A 61 61 ARG N N 61 121.101 123.564 -2.463 1
1 654 . 10 1 1 A 62 62 VAL H H 62 8.627 8.633 -0.006 1
1 655 . 10 1 1 A 62 62 VAL HA H 62 4.195 4.279 -0.084 1
1 663 . 10 1 1 A 62 62 VAL C C 62 175.216 176.076 -0.860 1
1 664 . 10 1 1 A 62 62 VAL CA C 62 62.926 62.145 0.781 1
1 665 . 10 1 1 A 62 62 VAL CB C 62 33.459 32.731 0.728 1
1 668 . 10 1 1 A 62 62 VAL N N 62 118.451 120.203 -1.752 1
1 669 . 10 1 1 A 63 63 GLN H H 63 7.628 8.476 -0.848 1
1 670 . 10 1 1 A 63 63 GLN HA H 63 4.575 4.925 -0.350 1
1 677 . 10 1 1 A 63 63 GLN C C 63 174.418 176.025 -1.607 1
1 678 . 10 1 1 A 63 63 GLN CA C 63 55.451 54.174 1.277 1
1 679 . 10 1 1 A 63 63 GLN CB C 63 32.062 31.892 0.170 1
1 681 . 10 1 1 A 63 63 GLN N N 63 123.160 121.741 1.419 1
1 683 . 10 1 1 A 64 64 GLY H H 64 8.678 8.684 -0.006 1
1 684 . 10 1 1 A 64 64 GLY HA2 H 64 4.025 3.984 0.041 1
1 685 . 10 1 1 A 64 64 GLY HA3 H 64 3.895 3.986 -0.091 1
1 686 . 10 1 1 A 64 64 GLY C C 64 174.592 172.851 1.741 1
1 687 . 10 1 1 A 64 64 GLY CA C 64 45.531 44.952 0.579 1
1 688 . 10 1 1 A 64 64 GLY N N 64 112.406 109.803 2.603 1
1 689 . 10 1 1 A 65 65 ASP HA H 65 4.625 4.984 -0.359 1
1 692 . 10 1 1 A 65 65 ASP C C 65 176.902 175.499 1.403 1
1 693 . 10 1 1 A 65 65 ASP CA C 65 55.486 52.978 2.508 1
1 694 . 10 1 1 A 65 65 ASP CB C 65 40.817 42.505 -1.688 1
1 695 . 10 1 1 A 66 66 ASN H H 66 7.979 8.846 -0.867 1
1 696 . 10 1 1 A 66 66 ASN HA H 66 4.554 4.311 0.243 1
1 701 . 10 1 1 A 66 66 ASN C C 66 174.456 173.983 0.473 1
1 702 . 10 1 1 A 66 66 ASN CA C 66 52.795 54.400 -1.605 1
1 703 . 10 1 1 A 66 66 ASN CB C 66 37.981 37.158 0.823 1
1 704 . 10 1 1 A 66 66 ASN N N 66 112.071 119.742 -7.671 1
1 706 . 10 1 1 A 67 67 LYS H H 67 7.476 7.482 -0.006 1
1 707 . 10 1 1 A 67 67 LYS HA H 67 5.914 4.967 0.947 1
1 716 . 10 1 1 A 67 67 LYS C C 67 177.922 175.228 2.694 1
1 717 . 10 1 1 A 67 67 LYS CA C 67 54.906 54.543 0.363 1
1 718 . 10 1 1 A 67 67 LYS CB C 67 36.707 36.931 -0.224 1
1 722 . 10 1 1 A 67 67 LYS N N 67 115.613 117.127 -1.514 1
1 723 . 10 1 1 A 68 68 PHE H H 68 9.227 8.068 1.159 1
1 724 . 10 1 1 A 68 68 PHE HA H 68 5.296 5.401 -0.105 1
1 732 . 10 1 1 A 68 68 PHE C C 68 171.230 172.181 -0.951 1
1 733 . 10 1 1 A 68 68 PHE CA C 68 56.576 55.680 0.896 1
1 734 . 10 1 1 A 68 68 PHE CB C 68 42.790 42.034 0.756 1
1 740 . 10 1 1 A 68 68 PHE N N 68 117.009 117.361 -0.352 1
1 741 . 10 1 1 A 69 69 GLU H H 69 9.527 9.191 0.336 1
1 742 . 10 1 1 A 69 69 GLU HA H 69 5.434 5.219 0.215 1
1 747 . 10 1 1 A 69 69 GLU C C 69 175.659 175.179 0.480 1
1 748 . 10 1 1 A 69 69 GLU CA C 69 53.429 54.955 -1.526 1
1 749 . 10 1 1 A 69 69 GLU CB C 69 33.460 33.237 0.223 1
1 751 . 10 1 1 A 69 69 GLU N N 69 119.470 119.943 -0.473 1
1 752 . 10 1 1 A 70 70 VAL H H 70 9.486 9.086 0.400 1
1 753 . 10 1 1 A 70 70 VAL HA H 70 4.486 4.662 -0.176 1
1 761 . 10 1 1 A 70 70 VAL C C 70 174.403 175.433 -1.030 1
1 762 . 10 1 1 A 70 70 VAL CA C 70 62.240 61.456 0.784 1
1 763 . 10 1 1 A 70 70 VAL CB C 70 33.706 33.102 0.604 1
1 766 . 10 1 1 A 70 70 VAL N N 70 123.935 125.899 -1.964 1
1 767 . 10 1 1 A 71 71 VAL H H 71 8.658 8.779 -0.121 1
1 768 . 10 1 1 A 71 71 VAL HA H 71 4.345 4.288 0.057 1
1 776 . 10 1 1 A 71 71 VAL C C 71 175.524 175.607 -0.083 1
1 777 . 10 1 1 A 71 71 VAL CA C 71 63.365 62.944 0.421 1
1 778 . 10 1 1 A 71 71 VAL CB C 71 32.802 31.592 1.210 1
1 781 . 10 1 1 A 71 71 VAL N N 71 129.195 128.312 0.883 1
1 782 . 10 1 1 A 72 72 THR H H 72 8.134 8.118 0.016 1
1 783 . 10 1 1 A 72 72 THR HA H 72 5.515 5.362 0.153 1
1 788 . 10 1 1 A 72 72 THR C C 72 174.609 175.174 -0.565 1
1 789 . 10 1 1 A 72 72 THR CA C 72 59.496 59.166 0.330 1
1 790 . 10 1 1 A 72 72 THR CB C 72 72.139 72.674 -0.535 1
1 792 . 10 1 1 A 72 72 THR N N 72 117.639 117.576 0.063 1
1 793 . 10 1 1 A 73 73 THR H H 73 8.944 9.087 -0.143 1
1 794 . 10 1 1 A 73 73 THR HA H 73 3.966 3.908 0.058 1
1 799 . 10 1 1 A 73 73 THR C C 73 175.783 175.928 -0.145 1
1 800 . 10 1 1 A 73 73 THR CA C 73 65.880 66.693 -0.813 1
1 801 . 10 1 1 A 73 73 THR CB C 73 68.604 68.933 -0.329 1
1 803 . 10 1 1 A 73 73 THR N N 73 114.027 117.978 -3.951 1
1 804 . 10 1 1 A 74 74 GLN H H 74 7.997 7.849 0.148 1
1 805 . 10 1 1 A 74 74 GLN HA H 74 4.350 4.106 0.244 1
1 812 . 10 1 1 A 74 74 GLN C C 74 175.698 176.005 -0.307 1
1 813 . 10 1 1 A 74 74 GLN CA C 74 56.910 58.659 -1.749 1
1 814 . 10 1 1 A 74 74 GLN CB C 74 30.624 29.006 1.618 1
1 816 . 10 1 1 A 74 74 GLN N N 74 115.670 118.265 -2.595 1
1 818 . 10 1 1 A 75 75 ARG H H 75 7.366 6.962 0.404 1
1 819 . 10 1 1 A 75 75 ARG HA H 75 4.395 4.464 -0.069 1
1 826 . 10 1 1 A 75 75 ARG C C 75 174.546 174.311 0.235 1
1 827 . 10 1 1 A 75 75 ARG CA C 75 55.802 54.923 0.879 1
1 828 . 10 1 1 A 75 75 ARG CB C 75 32.514 32.846 -0.332 1
1 831 . 10 1 1 A 75 75 ARG N N 75 115.650 112.662 2.988 1
1 832 . 10 1 1 A 76 76 THR H H 76 8.679 8.325 0.354 1
1 833 . 10 1 1 A 76 76 THR HA H 76 5.065 4.115 0.950 1
1 838 . 10 1 1 A 76 76 THR C C 76 173.239 173.719 -0.480 1
1 839 . 10 1 1 A 76 76 THR CA C 76 61.888 63.297 -1.409 1
1 840 . 10 1 1 A 76 76 THR CB C 76 69.878 69.426 0.452 1
1 842 . 10 1 1 A 76 76 THR N N 76 120.285 116.982 3.303 1
1 843 . 10 1 1 A 77 77 PHE H H 77 9.156 9.035 0.121 1
1 844 . 10 1 1 A 77 77 PHE HA H 77 4.385 5.053 -0.668 1
1 852 . 10 1 1 A 77 77 PHE C C 77 174.028 174.689 -0.661 1
1 853 . 10 1 1 A 77 77 PHE CA C 77 56.822 55.935 0.887 1
1 854 . 10 1 1 A 77 77 PHE CB C 77 41.640 43.227 -1.587 1
1 860 . 10 1 1 A 77 77 PHE N N 77 127.212 125.038 2.174 1
1 861 . 10 1 1 A 78 78 VAL H H 78 8.374 8.464 -0.090 1
1 862 . 10 1 1 A 78 78 VAL HA H 78 4.506 4.524 -0.018 1
1 870 . 10 1 1 A 78 78 VAL C C 78 173.264 174.557 -1.293 1
1 871 . 10 1 1 A 78 78 VAL CA C 78 61.730 61.428 0.302 1
1 872 . 10 1 1 A 78 78 VAL CB C 78 33.254 34.187 -0.933 1
1 875 . 10 1 1 A 78 78 VAL N N 78 123.393 119.479 3.914 1
1 876 . 10 1 1 A 79 79 PHE H H 79 8.458 8.408 0.050 1
1 877 . 10 1 1 A 79 79 PHE HA H 79 5.403 4.982 0.421 1
1 885 . 10 1 1 A 79 79 PHE C C 79 173.855 174.237 -0.382 1
1 886 . 10 1 1 A 79 79 PHE CA C 79 55.151 56.298 -1.147 1
1 887 . 10 1 1 A 79 79 PHE CB C 79 42.913 41.180 1.733 1
1 893 . 10 1 1 A 79 79 PHE N N 79 123.801 125.538 -1.737 1
1 894 . 10 1 1 A 80 80 ARG H H 80 9.407 8.733 0.674 1
1 895 . 10 1 1 A 80 80 ARG HA H 80 5.134 4.942 0.192 1
1 902 . 10 1 1 A 80 80 ARG C C 80 174.634 175.433 -0.799 1
1 903 . 10 1 1 A 80 80 ARG CA C 80 54.431 54.248 0.183 1
1 904 . 10 1 1 A 80 80 ARG CB C 80 35.227 33.224 2.003 1
1 907 . 10 1 1 A 80 80 ARG N N 80 121.570 121.355 0.215 1
1 908 . 10 1 1 A 81 81 VAL H H 81 8.544 8.497 0.047 1
1 909 . 10 1 1 A 81 81 VAL HA H 81 4.708 4.764 -0.056 1
1 917 . 10 1 1 A 81 81 VAL C C 81 175.050 175.803 -0.753 1
1 918 . 10 1 1 A 81 81 VAL CA C 81 59.602 59.702 -0.100 1
1 919 . 10 1 1 A 81 81 VAL CB C 81 33.706 34.744 -1.038 1
1 922 . 10 1 1 A 81 81 VAL N N 81 122.128 122.914 -0.786 1
1 923 . 10 1 1 A 82 82 GLU H H 82 8.549 9.187 -0.638 1
1 924 . 10 1 1 A 82 82 GLU HA H 82 4.132 4.312 -0.180 1
1 929 . 10 1 1 A 82 82 GLU C C 82 176.909 175.879 1.030 1
1 930 . 10 1 1 A 82 82 GLU CA C 82 58.973 57.664 1.309 1
1 931 . 10 1 1 A 82 82 GLU CB C 82 30.582 31.375 -0.793 1
1 933 . 10 1 1 A 82 82 GLU N N 82 121.776 121.888 -0.112 1
1 934 . 10 1 1 A 83 83 LYS H H 83 7.618 7.632 -0.014 1
1 935 . 10 1 1 A 83 83 LYS HA H 83 4.708 4.722 -0.014 1
1 944 . 10 1 1 A 83 83 LYS C C 83 176.665 176.428 0.237 1
1 945 . 10 1 1 A 83 83 LYS CA C 83 54.694 54.512 0.182 1
1 946 . 10 1 1 A 83 83 LYS CB C 83 34.775 36.508 -1.733 1
1 950 . 10 1 1 A 83 83 LYS N N 83 115.778 117.266 -1.488 1
1 951 . 10 1 1 A 84 84 GLU H H 84 9.150 8.860 0.290 1
1 952 . 10 1 1 A 84 84 GLU HA H 84 3.953 3.937 0.016 1
1 957 . 10 1 1 A 84 84 GLU C C 84 178.243 178.257 -0.014 1
1 958 . 10 1 1 A 84 84 GLU CA C 84 60.217 60.317 -0.100 1
1 959 . 10 1 1 A 84 84 GLU CB C 84 29.843 29.532 0.311 1
1 961 . 10 1 1 A 84 84 GLU N N 84 127.798 123.635 4.163 1
1 962 . 10 1 1 A 85 85 GLU H H 85 9.626 8.320 1.306 1
1 963 . 10 1 1 A 85 85 GLU HA H 85 4.100 3.967 0.133 1
1 968 . 10 1 1 A 85 85 GLU C C 85 178.948 179.472 -0.524 1
1 969 . 10 1 1 A 85 85 GLU CA C 85 59.847 59.648 0.199 1
1 970 . 10 1 1 A 85 85 GLU CB C 85 28.897 29.283 -0.386 1
1 972 . 10 1 1 A 85 85 GLU N N 85 117.844 117.605 0.239 1
1 973 . 10 1 1 A 86 86 GLU H H 86 7.257 8.577 -1.320 1
1 974 . 10 1 1 A 86 86 GLU HA H 86 4.365 3.986 0.379 1
1 979 . 10 1 1 A 86 86 GLU C C 86 178.607 179.326 -0.719 1
1 980 . 10 1 1 A 86 86 GLU CA C 86 58.089 59.408 -1.319 1
1 981 . 10 1 1 A 86 86 GLU CB C 86 30.212 29.397 0.815 1
1 983 . 10 1 1 A 86 86 GLU N N 86 118.075 119.874 -1.799 1
1 984 . 10 1 1 A 87 87 ARG H H 87 7.919 8.208 -0.289 1
1 985 . 10 1 1 A 87 87 ARG HA H 87 3.838 4.087 -0.249 1
1 992 . 10 1 1 A 87 87 ARG C C 87 177.977 178.067 -0.090 1
1 993 . 10 1 1 A 87 87 ARG CA C 87 60.815 59.364 1.451 1
1 994 . 10 1 1 A 87 87 ARG CB C 87 28.856 30.064 -1.208 1
1 997 . 10 1 1 A 87 87 ARG N N 87 121.287 120.766 0.521 1
1 998 . 10 1 1 A 88 88 ASN H H 88 8.421 8.206 0.215 1
1 999 . 10 1 1 A 88 88 ASN HA H 88 4.295 4.403 -0.108 1
1 1004 . 10 1 1 A 88 88 ASN C C 88 177.423 177.488 -0.065 1
1 1005 . 10 1 1 A 88 88 ASN CA C 88 55.627 56.155 -0.528 1
1 1006 . 10 1 1 A 88 88 ASN CB C 88 37.136 37.694 -0.558 1
1 1007 . 10 1 1 A 88 88 ASN N N 88 116.926 115.605 1.321 1
1 1009 . 10 1 1 A 89 89 ASP H H 89 7.790 8.372 -0.582 1
1 1010 . 10 1 1 A 89 89 ASP HA H 89 4.389 4.210 0.179 1
1 1013 . 10 1 1 A 89 89 ASP C C 89 177.683 178.594 -0.911 1
1 1014 . 10 1 1 A 89 89 ASP CA C 89 57.737 57.246 0.491 1
1 1015 . 10 1 1 A 89 89 ASP CB C 89 41.352 40.363 0.989 1
1 1016 . 10 1 1 A 89 89 ASP N N 89 121.867 119.594 2.273 1
1 1017 . 10 1 1 A 90 90 TRP H H 90 7.690 8.416 -0.726 1
1 1018 . 10 1 1 A 90 90 TRP HA H 90 3.666 4.201 -0.535 1
1 1027 . 10 1 1 A 90 90 TRP C C 90 177.880 178.642 -0.762 1
1 1028 . 10 1 1 A 90 90 TRP CA C 90 61.704 59.651 2.053 1
1 1029 . 10 1 1 A 90 90 TRP CB C 90 29.594 29.251 0.343 1
1 1035 . 10 1 1 A 90 90 TRP N N 90 117.617 119.579 -1.962 1
1 1037 . 10 1 1 A 91 91 ILE H H 91 7.654 7.885 -0.231 1
1 1038 . 10 1 1 A 91 91 ILE HA H 91 3.275 3.487 -0.212 1
1 1048 . 10 1 1 A 91 91 ILE C C 91 177.138 178.116 -0.978 1
1 1049 . 10 1 1 A 91 91 ILE CA C 91 65.001 65.552 -0.551 1
1 1050 . 10 1 1 A 91 91 ILE CB C 91 36.913 37.596 -0.683 1
1 1054 . 10 1 1 A 91 91 ILE N N 91 114.248 120.264 -6.016 1
1 1055 . 10 1 1 A 92 92 SER H H 92 8.055 8.298 -0.243 1
1 1056 . 10 1 1 A 92 92 SER HA H 92 4.045 4.011 0.034 1
1 1059 . 10 1 1 A 92 92 SER C C 92 177.204 176.837 0.367 1
1 1060 . 10 1 1 A 92 92 SER CA C 92 61.923 61.618 0.305 1
1 1061 . 10 1 1 A 92 92 SER CB C 92 62.767 63.087 -0.320 1
1 1062 . 10 1 1 A 92 92 SER N N 92 114.018 115.366 -1.348 1
1 1063 . 10 1 1 A 93 93 ILE H H 93 7.926 8.010 -0.084 1
1 1064 . 10 1 1 A 93 93 ILE HA H 93 3.795 3.661 0.134 1
1 1074 . 10 1 1 A 93 93 ILE C C 93 178.947 178.401 0.546 1
1 1075 . 10 1 1 A 93 93 ILE CA C 93 64.825 65.443 -0.618 1
1 1076 . 10 1 1 A 93 93 ILE CB C 93 37.693 37.798 -0.105 1
1 1080 . 10 1 1 A 93 93 ILE N N 93 120.974 120.719 0.255 1
1 1081 . 10 1 1 A 94 94 LEU H H 94 7.678 7.805 -0.127 1
1 1082 . 10 1 1 A 94 94 LEU HA H 94 3.634 3.751 -0.117 1
1 1092 . 10 1 1 A 94 94 LEU C C 94 178.551 178.659 -0.108 1
1 1093 . 10 1 1 A 94 94 LEU CA C 94 57.861 57.898 -0.037 1
1 1094 . 10 1 1 A 94 94 LEU CB C 94 42.356 41.818 0.538 1
1 1098 . 10 1 1 A 94 94 LEU N N 94 121.223 119.075 2.148 1
1 1099 . 10 1 1 A 95 95 LEU H H 95 8.954 8.173 0.781 1
1 1100 . 10 1 1 A 95 95 LEU HA H 95 4.037 3.844 0.193 1
1 1110 . 10 1 1 A 95 95 LEU C C 95 180.858 179.135 1.723 1
1 1111 . 10 1 1 A 95 95 LEU CA C 95 58.194 58.116 0.078 1
1 1112 . 10 1 1 A 95 95 LEU CB C 95 41.286 41.578 -0.292 1
1 1116 . 10 1 1 A 95 95 LEU N N 95 118.177 117.626 0.551 1
1 1117 . 10 1 1 A 96 96 ASN H H 96 8.235 8.646 -0.411 1
1 1118 . 10 1 1 A 96 96 ASN HA H 96 4.445 4.370 0.075 1
1 1123 . 10 1 1 A 96 96 ASN C C 96 177.901 177.419 0.482 1
1 1124 . 10 1 1 A 96 96 ASN CA C 96 56.347 57.105 -0.758 1
1 1125 . 10 1 1 A 96 96 ASN CB C 96 38.105 39.825 -1.720 1
1 1126 . 10 1 1 A 96 96 ASN N N 96 117.502 117.124 0.378 1
1 1128 . 10 1 1 A 97 97 ALA H H 97 7.756 7.870 -0.114 1
1 1129 . 10 1 1 A 97 97 ALA HA H 97 4.305 4.166 0.139 1
1 1133 . 10 1 1 A 97 97 ALA C C 97 180.315 179.867 0.448 1
1 1134 . 10 1 1 A 97 97 ALA CA C 97 54.906 55.204 -0.298 1
1 1135 . 10 1 1 A 97 97 ALA CB C 97 19.214 18.559 0.655 1
1 1136 . 10 1 1 A 97 97 ALA N N 97 123.457 122.075 1.382 1
1 1137 . 10 1 1 A 98 98 LEU H H 98 8.335 8.699 -0.364 1
1 1138 . 10 1 1 A 98 98 LEU HA H 98 4.055 3.961 0.094 1
1 1148 . 10 1 1 A 98 98 LEU C C 98 179.542 179.456 0.086 1
1 1149 . 10 1 1 A 98 98 LEU CA C 98 57.578 58.083 -0.505 1
1 1150 . 10 1 1 A 98 98 LEU CB C 98 42.174 41.357 0.817 1
1 1154 . 10 1 1 A 98 98 LEU N N 98 119.610 118.639 0.971 1
1 1155 . 10 1 1 A 99 99 LYS H H 99 7.969 7.947 0.022 1
1 1156 . 10 1 1 A 99 99 LYS HA H 99 4.203 3.915 0.288 1
1 1165 . 10 1 1 A 99 99 LYS C C 99 178.392 178.942 -0.550 1
1 1166 . 10 1 1 A 99 99 LYS CA C 99 58.563 59.892 -1.329 1
1 1167 . 10 1 1 A 99 99 LYS CB C 99 32.267 32.057 0.210 1
1 1171 . 10 1 1 A 99 99 LYS N N 99 119.323 118.293 1.030 1
1 1172 . 10 1 1 A 100 100 SER H H 100 7.854 7.897 -0.043 1
1 1173 . 10 1 1 A 100 100 SER HA H 100 4.404 4.070 0.334 1
1 1176 . 10 1 1 A 100 100 SER C C 100 175.449 176.493 -1.044 1
1 1177 . 10 1 1 A 100 100 SER CA C 100 60.076 61.643 -1.567 1
1 1178 . 10 1 1 A 100 100 SER CB C 100 63.600 63.011 0.589 1
1 1179 . 10 1 1 A 100 100 SER N N 100 114.116 114.578 -0.462 1
1 1180 . 10 1 1 A 101 101 GLN H H 101 7.863 8.189 -0.326 1
1 1181 . 10 1 1 A 101 101 GLN HA H 101 4.294 4.242 0.052 1
1 1188 . 10 1 1 A 101 101 GLN C C 101 176.613 175.656 0.957 1
1 1189 . 10 1 1 A 101 101 GLN CA C 101 57.121 57.497 -0.376 1
1 1190 . 10 1 1 A 101 101 GLN CB C 101 29.761 27.906 1.855 1
1 1192 . 10 1 1 A 101 101 GLN N N 101 120.923 117.999 2.924 1
1 1194 . 10 1 1 A 102 102 SER H H 102 8.170 7.984 0.186 1
1 1195 . 10 1 1 A 102 102 SER HA H 102 4.445 4.797 -0.352 1
1 1198 . 10 1 1 A 102 102 SER C C 102 175.030 172.820 2.210 1
1 1199 . 10 1 1 A 102 102 SER CA C 102 59.162 56.911 2.251 1
1 1200 . 10 1 1 A 102 102 SER CB C 102 63.466 63.674 -0.208 1
1 1201 . 10 1 1 A 102 102 SER N N 102 115.689 116.669 -0.980 1
1 1202 . 10 1 1 A 103 103 LEU H H 103 8.111 8.452 -0.341 1
1 1203 . 10 1 1 A 103 103 LEU HA H 103 4.400 4.899 -0.499 1
1 1213 . 10 1 1 A 103 103 LEU C C 103 178.263 174.550 3.713 1
1 1214 . 10 1 1 A 103 103 LEU CA C 103 55.908 53.797 2.111 1
1 1215 . 10 1 1 A 103 103 LEU CB C 103 42.215 45.126 -2.911 1
1 1219 . 10 1 1 A 103 103 LEU N N 103 123.252 124.627 -1.375 1
1 1220 . 10 1 1 A 104 104 THR H H 104 8.064 8.673 -0.609 1
1 1221 . 10 1 1 A 104 104 THR HA H 104 4.354 4.575 -0.221 1
1 1226 . 10 1 1 A 104 104 THR C C 104 175.092 173.973 1.119 1
1 1227 . 10 1 1 A 104 104 THR CA C 104 62.368 62.542 -0.174 1
1 1228 . 10 1 1 A 104 104 THR CB C 104 69.673 69.815 -0.142 1
1 1230 . 10 1 1 A 104 104 THR N N 104 113.441 119.007 -5.566 1
1 1231 . 10 1 1 A 105 105 SER H H 105 8.231 8.590 -0.359 1
1 1232 . 10 1 1 A 105 105 SER C C 105 177.959 173.936 4.023 1
1 1233 . 10 1 1 A 105 105 SER CA C 105 58.406 58.360 0.046 1
1 1234 . 10 1 1 A 105 105 SER CB C 105 63.507 63.800 -0.293 1
1 1235 . 10 1 1 A 105 105 SER N N 105 117.638 121.367 -3.729 1
1 1236 . 10 1 1 A 106 106 GLN HA H 106 4.365 4.925 -0.560 1
1 1239 . 10 1 1 A 106 106 GLN C C 106 176.322 174.850 1.472 1
1 1240 . 10 1 1 A 106 106 GLN CA C 106 56.189 54.207 1.982 1
1 1241 . 10 1 1 A 106 106 GLN CB C 106 29.226 32.101 -2.875 1
1 1243 . 10 1 1 A 107 107 SER H H 107 8.287 8.797 -0.510 1
1 1244 . 10 1 1 A 107 107 SER HA H 107 4.404 4.391 0.013 1
1 1246 . 10 1 1 A 107 107 SER C C 107 174.687 174.505 0.182 1
1 1247 . 10 1 1 A 107 107 SER CA C 107 58.722 59.209 -0.487 1
1 1248 . 10 1 1 A 107 107 SER CB C 107 63.713 63.423 0.290 1
1 1249 . 10 1 1 A 107 107 SER N N 107 116.578 120.537 -3.959 1
1 1250 . 10 1 1 A 108 108 GLN H H 108 8.354 8.408 -0.054 1
1 1251 . 10 1 1 A 108 108 GLN HA H 108 4.349 5.075 -0.726 1
1 1258 . 10 1 1 A 108 108 GLN C C 108 175.798 173.962 1.836 1
1 1259 . 10 1 1 A 108 108 GLN CA C 108 55.820 54.947 0.873 1
1 1260 . 10 1 1 A 108 108 GLN CB C 108 29.432 31.363 -1.931 1
1 1262 . 10 1 1 A 108 108 GLN N N 108 122.015 122.093 -0.078 1
1 1264 . 10 1 1 A 109 109 ALA H H 109 8.301 8.263 0.038 1
1 1265 . 10 1 1 A 109 109 ALA HA H 109 4.345 4.838 -0.493 1
1 1269 . 10 1 1 A 109 109 ALA C C 109 177.749 175.842 1.907 1
1 1270 . 10 1 1 A 109 109 ALA CA C 109 52.672 52.055 0.617 1
1 1271 . 10 1 1 A 109 109 ALA CB C 109 19.237 20.710 -1.473 1
1 1272 . 10 1 1 A 109 109 ALA N N 109 125.243 121.676 3.567 1
1 1273 . 10 1 1 A 110 110 SER H H 110 8.290 8.842 -0.552 1
1 1274 . 10 1 1 A 110 110 SER HA H 110 4.459 4.417 0.042 1
1 1277 . 10 1 1 A 110 110 SER C C 110 174.593 174.390 0.203 1
1 1278 . 10 1 1 A 110 110 SER CA C 110 58.248 58.177 0.071 1
1 1279 . 10 1 1 A 110 110 SER CB C 110 63.918 63.472 0.446 1
1 1280 . 10 1 1 A 110 110 SER N N 110 115.148 120.841 -5.693 1
1 1281 . 10 1 1 A 111 111 GLY H H 111 8.199 8.776 -0.577 1
1 1282 . 10 1 1 A 111 111 GLY HA2 H 111 4.167 3.968 0.199 1
1 1283 . 10 1 1 A 111 111 GLY HA3 H 111 4.094 3.968 0.126 1
1 1284 . 10 1 1 A 111 111 GLY C C 111 171.782 173.532 -1.750 1
1 1285 . 10 1 1 A 111 111 GLY CA C 111 44.652 45.410 -0.758 1
1 1286 . 10 1 1 A 111 111 GLY N N 111 110.586 114.759 -4.173 1
1 1287 . 10 1 1 A 112 112 PRO HA H 112 4.471 4.597 -0.126 1
1 1294 . 10 1 1 A 112 112 PRO CA C 112 63.154 62.550 0.604 1
1 1295 . 10 1 1 A 112 112 PRO CB C 112 32.314 33.292 -0.978 1
1 1 . 11 1 1 A 7 7 GLY H H 7 9.055 8.284 0.771 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.908 4.089 -0.181 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 3.968 4.093 -0.125 1
1 4 . 11 1 1 A 7 7 GLY C C 7 173.671 173.703 -0.032 1
1 5 . 11 1 1 A 7 7 GLY CA C 7 45.421 45.471 -0.050 1
1 6 . 11 1 1 A 8 8 LYS H H 8 8.145 8.520 -0.375 1
1 7 . 11 1 1 A 8 8 LYS HA H 8 4.345 4.697 -0.352 1
1 16 . 11 1 1 A 8 8 LYS C C 8 175.255 175.289 -0.034 1
1 17 . 11 1 1 A 8 8 LYS CA C 8 56.330 56.065 0.265 1
1 18 . 11 1 1 A 8 8 LYS CB C 8 33.583 34.144 -0.561 1
1 22 . 11 1 1 A 8 8 LYS N N 8 120.101 120.248 -0.147 1
1 23 . 11 1 1 A 9 9 VAL H H 9 7.579 7.446 0.133 1
1 24 . 11 1 1 A 9 9 VAL HA H 9 4.473 5.025 -0.552 1
1 32 . 11 1 1 A 9 9 VAL C C 9 174.860 174.431 0.429 1
1 33 . 11 1 1 A 9 9 VAL CA C 9 59.989 58.671 1.318 1
1 34 . 11 1 1 A 9 9 VAL CB C 9 34.218 36.039 -1.821 1
1 37 . 11 1 1 A 9 9 VAL N N 9 114.437 115.408 -0.971 1
1 38 . 11 1 1 A 10 10 LYS H H 10 8.236 8.229 0.007 1
1 39 . 11 1 1 A 10 10 LYS HA H 10 4.345 4.493 -0.148 1
1 48 . 11 1 1 A 10 10 LYS C C 10 172.963 174.055 -1.092 1
1 49 . 11 1 1 A 10 10 LYS CA C 10 56.096 55.732 0.364 1
1 50 . 11 1 1 A 10 10 LYS CB C 10 36.131 35.821 0.310 1
1 54 . 11 1 1 A 10 10 LYS N N 10 122.938 121.701 1.237 1
1 55 . 11 1 1 A 11 11 SER H H 11 8.168 8.447 -0.279 1
1 56 . 11 1 1 A 11 11 SER HA H 11 5.669 5.458 0.211 1
1 59 . 11 1 1 A 11 11 SER C C 11 173.281 173.301 -0.020 1
1 60 . 11 1 1 A 11 11 SER CA C 11 55.960 57.204 -1.244 1
1 61 . 11 1 1 A 11 11 SER CB C 11 66.326 66.049 0.277 1
1 62 . 11 1 1 A 11 11 SER N N 11 119.068 117.366 1.702 1
1 63 . 11 1 1 A 12 12 GLY H H 12 8.248 7.946 0.302 1
1 64 . 11 1 1 A 12 12 GLY HA2 H 12 4.168 4.278 -0.110 1
1 65 . 11 1 1 A 12 12 GLY HA3 H 12 3.478 4.371 -0.893 1
1 66 . 11 1 1 A 12 12 GLY C C 12 170.778 171.877 -1.099 1
1 67 . 11 1 1 A 12 12 GLY CA C 12 45.654 46.132 -0.478 1
1 68 . 11 1 1 A 12 12 GLY N N 12 108.756 108.158 0.598 1
1 69 . 11 1 1 A 13 13 TRP H H 13 8.622 8.688 -0.066 1
1 70 . 11 1 1 A 13 13 TRP HA H 13 5.398 4.923 0.475 1
1 79 . 11 1 1 A 13 13 TRP C C 13 177.511 175.788 1.723 1
1 80 . 11 1 1 A 13 13 TRP CA C 13 57.069 57.385 -0.316 1
1 81 . 11 1 1 A 13 13 TRP CB C 13 30.295 28.868 1.427 1
1 87 . 11 1 1 A 13 13 TRP N N 13 119.518 121.011 -1.493 1
1 89 . 11 1 1 A 14 14 LEU H H 14 9.524 8.691 0.833 1
1 90 . 11 1 1 A 14 14 LEU HA H 14 4.791 5.119 -0.328 1
1 100 . 11 1 1 A 14 14 LEU C C 14 175.381 175.499 -0.118 1
1 101 . 11 1 1 A 14 14 LEU CA C 14 54.096 53.409 0.687 1
1 102 . 11 1 1 A 14 14 LEU CB C 14 47.682 42.589 5.093 1
1 106 . 11 1 1 A 14 14 LEU N N 14 124.165 126.014 -1.849 1
1 107 . 11 1 1 A 15 15 ASP H H 15 8.335 8.564 -0.229 1
1 108 . 11 1 1 A 15 15 ASP HA H 15 5.424 5.083 0.341 1
1 111 . 11 1 1 A 15 15 ASP C C 15 175.302 175.126 0.176 1
1 112 . 11 1 1 A 15 15 ASP CA C 15 53.252 53.821 -0.569 1
1 113 . 11 1 1 A 15 15 ASP CB C 15 42.420 41.826 0.594 1
1 114 . 11 1 1 A 15 15 ASP N N 15 120.275 125.766 -5.491 1
1 115 . 11 1 1 A 16 16 LYS H H 16 9.444 8.800 0.644 1
1 116 . 11 1 1 A 16 16 LYS HA H 16 4.781 4.782 -0.001 1
1 125 . 11 1 1 A 16 16 LYS C C 16 176.244 175.933 0.311 1
1 126 . 11 1 1 A 16 16 LYS CA C 16 54.782 54.787 -0.005 1
1 127 . 11 1 1 A 16 16 LYS CB C 16 36.666 34.638 2.028 1
1 131 . 11 1 1 A 16 16 LYS N N 16 125.854 124.551 1.303 1
1 132 . 11 1 1 A 17 17 LEU H H 17 8.387 8.548 -0.161 1
1 133 . 11 1 1 A 17 17 LEU HA H 17 3.476 4.544 -1.068 1
1 143 . 11 1 1 A 17 17 LEU C C 17 175.840 175.794 0.046 1
1 144 . 11 1 1 A 17 17 LEU CA C 17 55.715 54.658 1.057 1
1 145 . 11 1 1 A 17 17 LEU CB C 17 41.986 41.881 0.105 1
1 149 . 11 1 1 A 17 17 LEU N N 17 130.736 127.057 3.679 1
1 150 . 11 1 1 A 18 18 SER H H 18 8.378 8.717 -0.339 1
1 151 . 11 1 1 A 18 18 SER HA H 18 4.563 4.456 0.107 1
1 154 . 11 1 1 A 18 18 SER C C 18 172.291 174.598 -2.307 1
1 155 . 11 1 1 A 18 18 SER CA C 18 55.697 62.900 -7.203 1
1 156 . 11 1 1 A 18 18 SER CB C 18 62.885 62.942 -0.057 1
1 157 . 11 1 1 A 18 18 SER N N 18 123.037 123.354 -0.317 1
1 158 . 11 1 1 A 19 19 PRO HA H 19 4.414 4.510 -0.096 1
1 165 . 11 1 1 A 19 19 PRO CA C 19 63.946 62.883 1.063 1
1 166 . 11 1 1 A 19 19 PRO CB C 19 32.128 32.115 0.013 1
1 169 . 11 1 1 A 20 20 GLN H H 20 8.085 8.548 -0.463 1
1 170 . 11 1 1 A 20 20 GLN HA H 20 4.353 3.857 0.496 1
1 175 . 11 1 1 A 20 20 GLN CA C 20 55.533 59.150 -3.617 1
1 176 . 11 1 1 A 20 20 GLN CB C 20 30.130 28.549 1.581 1
1 178 . 11 1 1 A 20 20 GLN N N 20 119.721 121.882 -2.161 1
1 179 . 11 1 1 A 22 22 LYS H H 22 8.151 8.445 -0.294 1
1 180 . 11 1 1 A 22 22 LYS HA H 22 4.165 4.200 -0.035 1
1 185 . 11 1 1 A 22 22 LYS C C 22 176.016 176.232 -0.216 1
1 186 . 11 1 1 A 22 22 LYS CA C 22 56.717 55.542 1.175 1
1 187 . 11 1 1 A 22 22 LYS CB C 22 32.303 31.391 0.912 1
1 191 . 11 1 1 A 23 23 ARG H H 23 8.329 8.426 -0.097 1
1 192 . 11 1 1 A 23 23 ARG HA H 23 3.937 4.419 -0.482 1
1 199 . 11 1 1 A 23 23 ARG C C 23 174.937 174.525 0.412 1
1 200 . 11 1 1 A 23 23 ARG CA C 23 56.436 57.401 -0.965 1
1 201 . 11 1 1 A 23 23 ARG CB C 23 29.144 33.250 -4.106 1
1 204 . 11 1 1 A 23 23 ARG N N 23 119.006 127.530 -8.524 1
1 205 . 11 1 1 A 24 24 MET H H 24 7.965 7.760 0.205 1
1 206 . 11 1 1 A 24 24 MET HA H 24 4.492 4.996 -0.504 1
1 209 . 11 1 1 A 24 24 MET C C 24 174.737 174.034 0.703 1
1 210 . 11 1 1 A 24 24 MET CA C 24 55.134 54.187 0.947 1
1 211 . 11 1 1 A 24 24 MET CB C 24 33.665 37.560 -3.895 1
1 213 . 11 1 1 A 24 24 MET N N 24 120.460 117.095 3.365 1
1 214 . 11 1 1 A 25 25 PHE H H 25 8.593 8.591 0.002 1
1 215 . 11 1 1 A 25 25 PHE HA H 25 4.788 5.184 -0.396 1
1 223 . 11 1 1 A 25 25 PHE C C 25 175.712 175.155 0.557 1
1 224 . 11 1 1 A 25 25 PHE CA C 25 57.421 56.070 1.351 1
1 225 . 11 1 1 A 25 25 PHE CB C 25 41.890 42.178 -0.288 1
1 231 . 11 1 1 A 25 25 PHE N N 25 121.330 118.858 2.472 1
1 232 . 11 1 1 A 26 26 GLN H H 26 8.758 8.675 0.083 1
1 233 . 11 1 1 A 26 26 GLN HA H 26 4.777 4.866 -0.089 1
1 240 . 11 1 1 A 26 26 GLN C C 26 175.149 174.819 0.330 1
1 241 . 11 1 1 A 26 26 GLN CA C 26 53.991 54.532 -0.541 1
1 242 . 11 1 1 A 26 26 GLN CB C 26 32.144 31.831 0.313 1
1 244 . 11 1 1 A 26 26 GLN N N 26 119.081 121.089 -2.008 1
1 246 . 11 1 1 A 27 27 LYS H H 27 8.913 8.754 0.159 1
1 247 . 11 1 1 A 27 27 LYS HA H 27 4.933 4.556 0.377 1
1 256 . 11 1 1 A 27 27 LYS C C 27 177.786 175.635 2.151 1
1 257 . 11 1 1 A 27 27 LYS CA C 27 57.843 56.733 1.110 1
1 258 . 11 1 1 A 27 27 LYS CB C 27 32.720 33.215 -0.495 1
1 262 . 11 1 1 A 27 27 LYS N N 27 126.903 125.591 1.312 1
1 263 . 11 1 1 A 28 28 ARG H H 28 9.847 8.837 1.010 1
1 264 . 11 1 1 A 28 28 ARG HA H 28 5.236 4.952 0.284 1
1 271 . 11 1 1 A 28 28 ARG C C 28 173.319 174.497 -1.178 1
1 272 . 11 1 1 A 28 28 ARG CA C 28 53.481 55.705 -2.224 1
1 273 . 11 1 1 A 28 28 ARG CB C 28 34.405 34.067 0.338 1
1 276 . 11 1 1 A 28 28 ARG N N 28 127.032 124.911 2.121 1
1 277 . 11 1 1 A 29 29 TRP H H 29 8.408 8.899 -0.491 1
1 278 . 11 1 1 A 29 29 TRP HA H 29 4.424 4.731 -0.307 1
1 285 . 11 1 1 A 29 29 TRP C C 29 174.606 175.002 -0.396 1
1 286 . 11 1 1 A 29 29 TRP CA C 29 56.383 56.318 0.065 1
1 287 . 11 1 1 A 29 29 TRP CB C 29 29.226 29.673 -0.447 1
1 292 . 11 1 1 A 29 29 TRP N N 29 124.511 128.556 -4.045 1
1 293 . 11 1 1 A 30 30 VAL H H 30 8.464 8.742 -0.278 1
1 294 . 11 1 1 A 30 30 VAL HA H 30 4.736 4.678 0.058 1
1 302 . 11 1 1 A 30 30 VAL C C 30 172.903 174.241 -1.338 1
1 303 . 11 1 1 A 30 30 VAL CA C 30 61.219 60.680 0.539 1
1 304 . 11 1 1 A 30 30 VAL CB C 30 32.925 33.381 -0.456 1
1 307 . 11 1 1 A 30 30 VAL N N 30 129.572 128.139 1.433 1
1 308 . 11 1 1 A 31 31 LYS H H 31 9.125 8.281 0.844 1
1 309 . 11 1 1 A 31 31 LYS HA H 31 5.095 4.725 0.370 1
1 318 . 11 1 1 A 31 31 LYS C C 31 175.396 173.987 1.409 1
1 319 . 11 1 1 A 31 31 LYS CA C 31 54.677 54.557 0.120 1
1 320 . 11 1 1 A 31 31 LYS CB C 31 37.036 35.880 1.156 1
1 324 . 11 1 1 A 31 31 LYS N N 31 124.358 127.080 -2.722 1
1 325 . 11 1 1 A 32 32 PHE H H 32 9.725 9.424 0.301 1
1 326 . 11 1 1 A 32 32 PHE HA H 32 5.905 5.051 0.854 1
1 334 . 11 1 1 A 32 32 PHE C C 32 174.555 175.190 -0.635 1
1 335 . 11 1 1 A 32 32 PHE CA C 32 56.224 56.670 -0.446 1
1 336 . 11 1 1 A 32 32 PHE CB C 32 41.804 40.460 1.344 1
1 342 . 11 1 1 A 32 32 PHE N N 32 125.979 128.154 -2.175 1
1 343 . 11 1 1 A 33 33 ASP H H 33 7.884 8.379 -0.495 1
1 344 . 11 1 1 A 33 33 ASP HA H 33 4.555 4.481 0.074 1
1 347 . 11 1 1 A 33 33 ASP C C 33 175.730 175.866 -0.136 1
1 348 . 11 1 1 A 33 33 ASP CA C 33 52.602 53.791 -1.189 1
1 349 . 11 1 1 A 33 33 ASP CB C 33 41.686 41.612 0.074 1
1 350 . 11 1 1 A 33 33 ASP N N 33 126.924 127.527 -0.603 1
1 351 . 11 1 1 A 34 34 GLY H H 34 4.680 6.454 -1.774 1
1 352 . 11 1 1 A 34 34 GLY HA2 H 34 4.252 3.043 1.209 1
1 353 . 11 1 1 A 34 34 GLY HA3 H 34 3.023 3.652 -0.629 1
1 354 . 11 1 1 A 34 34 GLY C C 34 172.363 175.293 -2.930 1
1 355 . 11 1 1 A 34 34 GLY CA C 34 45.672 44.688 0.984 1
1 356 . 11 1 1 A 35 35 LEU H H 35 8.148 7.880 0.268 1
1 357 . 11 1 1 A 35 35 LEU HA H 35 4.623 4.219 0.404 1
1 367 . 11 1 1 A 35 35 LEU C C 35 177.783 176.715 1.068 1
1 368 . 11 1 1 A 35 35 LEU CA C 35 55.978 56.622 -0.644 1
1 369 . 11 1 1 A 35 35 LEU CB C 35 44.352 42.470 1.882 1
1 373 . 11 1 1 A 35 35 LEU N N 35 120.632 120.426 0.206 1
1 374 . 11 1 1 A 36 36 SER H H 36 9.064 7.869 1.195 1
1 375 . 11 1 1 A 36 36 SER HA H 36 5.059 5.007 0.052 1
1 378 . 11 1 1 A 36 36 SER C C 36 173.878 172.681 1.197 1
1 379 . 11 1 1 A 36 36 SER CA C 36 57.667 57.808 -0.141 1
1 380 . 11 1 1 A 36 36 SER CB C 36 66.140 67.594 -1.454 1
1 381 . 11 1 1 A 36 36 SER N N 36 115.030 110.555 4.475 1
1 382 . 11 1 1 A 37 37 ILE H H 37 8.981 9.172 -0.191 1
1 383 . 11 1 1 A 37 37 ILE HA H 37 5.055 4.956 0.099 1
1 393 . 11 1 1 A 37 37 ILE C C 37 174.995 174.969 0.026 1
1 394 . 11 1 1 A 37 37 ILE CA C 37 61.061 60.734 0.327 1
1 395 . 11 1 1 A 37 37 ILE CB C 37 39.355 39.238 0.117 1
1 399 . 11 1 1 A 37 37 ILE N N 37 122.186 122.687 -0.501 1
1 400 . 11 1 1 A 38 38 SER H H 38 9.422 8.661 0.761 1
1 401 . 11 1 1 A 38 38 SER HA H 38 5.297 5.322 -0.025 1
1 404 . 11 1 1 A 38 38 SER C C 38 172.177 173.596 -1.419 1
1 405 . 11 1 1 A 38 38 SER CA C 38 56.910 56.606 0.304 1
1 406 . 11 1 1 A 38 38 SER CB C 38 66.018 65.147 0.871 1
1 407 . 11 1 1 A 38 38 SER N N 38 122.548 122.619 -0.071 1
1 408 . 11 1 1 A 39 39 TYR H H 39 7.649 7.699 -0.050 1
1 409 . 11 1 1 A 39 39 TYR HA H 39 6.025 5.972 0.053 1
1 416 . 11 1 1 A 39 39 TYR C C 39 173.937 173.158 0.779 1
1 417 . 11 1 1 A 39 39 TYR CA C 39 54.144 54.847 -0.703 1
1 418 . 11 1 1 A 39 39 TYR CB C 39 41.722 41.928 -0.206 1
1 423 . 11 1 1 A 39 39 TYR N N 39 116.176 118.648 -2.472 1
1 424 . 11 1 1 A 40 40 TYR H H 40 9.647 8.860 0.787 1
1 425 . 11 1 1 A 40 40 TYR HA H 40 5.044 5.034 0.010 1
1 432 . 11 1 1 A 40 40 TYR CA C 40 56.928 56.657 0.271 1
1 433 . 11 1 1 A 40 40 TYR CB C 40 43.678 42.949 0.729 1
1 438 . 11 1 1 A 40 40 TYR N N 40 118.964 118.490 0.474 1
1 439 . 11 1 1 A 41 41 ASN H H 41 7.712 8.900 -1.188 1
1 440 . 11 1 1 A 41 41 ASN HA H 41 4.867 5.034 -0.167 1
1 445 . 11 1 1 A 41 41 ASN CB C 41 39.279 37.667 1.612 1
1 446 . 11 1 1 A 41 41 ASN N N 41 109.731 122.947 -13.216 1
1 448 . 11 1 1 A 42 42 ASN H H 42 9.215 8.597 0.618 1
1 449 . 11 1 1 A 42 42 ASN HA H 42 4.868 4.413 0.455 1
1 452 . 11 1 1 A 42 42 ASN CA C 42 52.812 54.273 -1.461 1
1 453 . 11 1 1 A 42 42 ASN CB C 42 39.180 37.651 1.529 1
1 458 . 11 1 1 A 44 44 LYS CB C 44 35.364 31.722 3.642 1
1 460 . 11 1 1 A 46 46 MET H H 46 8.285 8.559 -0.274 1
1 461 . 11 1 1 A 46 46 MET HA H 46 4.218 4.389 -0.171 1
1 466 . 11 1 1 A 46 46 MET CA C 46 56.523 58.497 -1.974 1
1 467 . 11 1 1 A 46 46 MET CB C 46 33.665 33.441 0.224 1
1 469 . 11 1 1 A 47 47 TYR H H 47 7.965 7.749 0.216 1
1 470 . 11 1 1 A 47 47 TYR HA H 47 4.935 4.524 0.411 1
1 477 . 11 1 1 A 47 47 TYR CA C 47 55.861 58.129 -2.268 1
1 478 . 11 1 1 A 47 47 TYR CB C 47 38.476 39.663 -1.187 1
1 483 . 11 1 1 A 47 47 TYR N N 47 117.521 118.596 -1.075 1
1 484 . 11 1 1 A 49 49 LYS H H 49 8.704 8.160 0.544 1
1 485 . 11 1 1 A 49 49 LYS HA H 49 4.369 4.073 0.296 1
1 494 . 11 1 1 A 49 49 LYS CA C 49 54.891 57.540 -2.649 1
1 495 . 11 1 1 A 49 49 LYS CB C 49 32.501 33.038 -0.537 1
1 499 . 11 1 1 A 50 50 GLY H H 50 6.985 8.232 -1.247 1
1 500 . 11 1 1 A 50 50 GLY HA2 H 50 3.825 4.178 -0.353 1
1 501 . 11 1 1 A 50 50 GLY HA3 H 50 3.265 4.261 -0.996 1
1 502 . 11 1 1 A 50 50 GLY C C 50 170.241 171.488 -1.247 1
1 503 . 11 1 1 A 50 50 GLY CA C 50 45.039 44.588 0.451 1
1 504 . 11 1 1 A 50 50 GLY N N 50 108.097 110.309 -2.212 1
1 505 . 11 1 1 A 51 51 ILE H H 51 7.890 8.971 -1.081 1
1 506 . 11 1 1 A 51 51 ILE HA H 51 4.777 4.622 0.155 1
1 516 . 11 1 1 A 51 51 ILE C C 51 175.026 173.503 1.523 1
1 517 . 11 1 1 A 51 51 ILE CA C 51 60.217 58.818 1.399 1
1 518 . 11 1 1 A 51 51 ILE CB C 51 42.388 42.304 0.084 1
1 522 . 11 1 1 A 51 51 ILE N N 51 117.769 123.814 -6.045 1
1 523 . 11 1 1 A 52 52 ILE H H 52 9.485 9.334 0.151 1
1 524 . 11 1 1 A 52 52 ILE HA H 52 4.533 4.727 -0.194 1
1 534 . 11 1 1 A 52 52 ILE C C 52 173.526 174.919 -1.393 1
1 535 . 11 1 1 A 52 52 ILE CA C 52 57.983 57.922 0.061 1
1 536 . 11 1 1 A 52 52 ILE CB C 52 40.324 38.997 1.327 1
1 540 . 11 1 1 A 52 52 ILE N N 52 127.899 128.315 -0.416 1
1 541 . 11 1 1 A 53 53 PRO HA H 53 4.501 5.050 -0.549 1
1 548 . 11 1 1 A 53 53 PRO C C 53 177.663 178.149 -0.486 1
1 549 . 11 1 1 A 53 53 PRO CA C 53 62.838 62.797 0.041 1
1 550 . 11 1 1 A 53 53 PRO CB C 53 31.939 32.465 -0.526 1
1 553 . 11 1 1 A 54 54 LEU H H 54 8.647 8.599 0.048 1
1 554 . 11 1 1 A 54 54 LEU HA H 54 3.985 4.187 -0.202 1
1 564 . 11 1 1 A 54 54 LEU C C 54 178.940 178.199 0.741 1
1 565 . 11 1 1 A 54 54 LEU CA C 54 58.371 57.810 0.561 1
1 566 . 11 1 1 A 54 54 LEU CB C 54 42.388 41.532 0.856 1
1 570 . 11 1 1 A 54 54 LEU N N 54 124.847 126.908 -2.061 1
1 571 . 11 1 1 A 55 55 SER H H 55 8.278 8.367 -0.089 1
1 572 . 11 1 1 A 55 55 SER HA H 55 4.169 4.201 -0.032 1
1 575 . 11 1 1 A 55 55 SER C C 55 174.956 176.701 -1.745 1
1 576 . 11 1 1 A 55 55 SER CA C 55 59.971 61.297 -1.326 1
1 577 . 11 1 1 A 55 55 SER CB C 55 62.721 62.316 0.405 1
1 578 . 11 1 1 A 55 55 SER N N 55 109.639 114.534 -4.895 1
1 579 . 11 1 1 A 56 56 ALA H H 56 7.796 8.072 -0.276 1
1 580 . 11 1 1 A 56 56 ALA HA H 56 4.545 4.178 0.367 1
1 584 . 11 1 1 A 56 56 ALA C C 56 177.505 178.740 -1.235 1
1 585 . 11 1 1 A 56 56 ALA CA C 56 52.022 55.355 -3.333 1
1 586 . 11 1 1 A 56 56 ALA CB C 56 20.240 18.451 1.789 1
1 587 . 11 1 1 A 56 56 ALA N N 56 123.057 122.242 0.815 1
1 588 . 11 1 1 A 57 57 ILE H H 57 7.664 7.190 0.474 1
1 589 . 11 1 1 A 57 57 ILE HA H 57 4.035 4.176 -0.141 1
1 599 . 11 1 1 A 57 57 ILE C C 57 175.285 176.329 -1.044 1
1 600 . 11 1 1 A 57 57 ILE CA C 57 62.697 62.238 0.459 1
1 601 . 11 1 1 A 57 57 ILE CB C 57 38.474 37.298 1.176 1
1 605 . 11 1 1 A 57 57 ILE N N 57 119.512 118.498 1.014 1
1 606 . 11 1 1 A 58 58 SER H H 58 9.364 9.214 0.150 1
1 607 . 11 1 1 A 58 58 SER HA H 58 4.526 4.504 0.022 1
1 610 . 11 1 1 A 58 58 SER C C 58 175.125 173.918 1.207 1
1 611 . 11 1 1 A 58 58 SER CA C 58 59.215 59.813 -0.598 1
1 612 . 11 1 1 A 58 58 SER CB C 58 63.590 64.307 -0.717 1
1 613 . 11 1 1 A 58 58 SER N N 58 122.513 123.731 -1.218 1
1 614 . 11 1 1 A 59 59 THR H H 59 7.502 7.489 0.013 1
1 615 . 11 1 1 A 59 59 THR HA H 59 4.355 4.595 -0.240 1
1 620 . 11 1 1 A 59 59 THR C C 59 170.784 171.886 -1.102 1
1 621 . 11 1 1 A 59 59 THR CA C 59 61.132 61.337 -0.205 1
1 622 . 11 1 1 A 59 59 THR CB C 59 68.686 71.192 -2.506 1
1 624 . 11 1 1 A 59 59 THR N N 59 112.470 112.529 -0.059 1
1 625 . 11 1 1 A 60 60 VAL H H 60 7.766 8.607 -0.841 1
1 626 . 11 1 1 A 60 60 VAL HA H 60 5.326 5.158 0.168 1
1 634 . 11 1 1 A 60 60 VAL C C 60 174.166 174.179 -0.013 1
1 635 . 11 1 1 A 60 60 VAL CA C 60 60.410 60.624 -0.214 1
1 636 . 11 1 1 A 60 60 VAL CB C 60 34.979 34.798 0.181 1
1 639 . 11 1 1 A 60 60 VAL N N 60 121.276 126.051 -4.775 1
1 640 . 11 1 1 A 61 61 ARG H H 61 8.941 8.793 0.148 1
1 641 . 11 1 1 A 61 61 ARG HA H 61 5.053 4.992 0.061 1
1 648 . 11 1 1 A 61 61 ARG C C 61 175.460 175.040 0.420 1
1 649 . 11 1 1 A 61 61 ARG CA C 61 54.166 53.777 0.389 1
1 650 . 11 1 1 A 61 61 ARG CB C 61 34.000 33.923 0.077 1
1 653 . 11 1 1 A 61 61 ARG N N 61 121.101 124.127 -3.026 1
1 654 . 11 1 1 A 62 62 VAL H H 62 8.627 8.447 0.180 1
1 655 . 11 1 1 A 62 62 VAL HA H 62 4.195 4.682 -0.487 1
1 663 . 11 1 1 A 62 62 VAL C C 62 175.216 174.907 0.309 1
1 664 . 11 1 1 A 62 62 VAL CA C 62 62.926 61.616 1.310 1
1 665 . 11 1 1 A 62 62 VAL CB C 62 33.459 33.147 0.312 1
1 668 . 11 1 1 A 62 62 VAL N N 62 118.451 118.255 0.196 1
1 669 . 11 1 1 A 63 63 GLN H H 63 7.628 9.069 -1.441 1
1 670 . 11 1 1 A 63 63 GLN HA H 63 4.575 4.916 -0.341 1
1 677 . 11 1 1 A 63 63 GLN C C 63 174.418 175.779 -1.361 1
1 678 . 11 1 1 A 63 63 GLN CA C 63 55.451 54.685 0.766 1
1 679 . 11 1 1 A 63 63 GLN CB C 63 32.062 31.483 0.579 1
1 681 . 11 1 1 A 63 63 GLN N N 63 123.160 123.383 -0.223 1
1 683 . 11 1 1 A 64 64 GLY H H 64 8.678 8.827 -0.149 1
1 684 . 11 1 1 A 64 64 GLY HA2 H 64 4.025 3.898 0.127 1
1 685 . 11 1 1 A 64 64 GLY HA3 H 64 3.895 3.906 -0.011 1
1 686 . 11 1 1 A 64 64 GLY C C 64 174.592 173.288 1.304 1
1 687 . 11 1 1 A 64 64 GLY CA C 64 45.531 46.980 -1.449 1
1 688 . 11 1 1 A 64 64 GLY N N 64 112.406 114.577 -2.171 1
1 689 . 11 1 1 A 65 65 ASP HA H 65 4.625 5.123 -0.498 1
1 692 . 11 1 1 A 65 65 ASP C C 65 176.902 175.969 0.933 1
1 693 . 11 1 1 A 65 65 ASP CA C 65 55.486 52.753 2.733 1
1 694 . 11 1 1 A 65 65 ASP CB C 65 40.817 42.192 -1.375 1
1 695 . 11 1 1 A 66 66 ASN H H 66 7.979 8.818 -0.839 1
1 696 . 11 1 1 A 66 66 ASN HA H 66 4.554 4.389 0.165 1
1 701 . 11 1 1 A 66 66 ASN C C 66 174.456 174.058 0.398 1
1 702 . 11 1 1 A 66 66 ASN CA C 66 52.795 54.399 -1.604 1
1 703 . 11 1 1 A 66 66 ASN CB C 66 37.981 37.267 0.714 1
1 704 . 11 1 1 A 66 66 ASN N N 66 112.071 118.823 -6.752 1
1 706 . 11 1 1 A 67 67 LYS H H 67 7.476 7.586 -0.110 1
1 707 . 11 1 1 A 67 67 LYS HA H 67 5.914 5.143 0.771 1
1 716 . 11 1 1 A 67 67 LYS C C 67 177.922 175.461 2.461 1
1 717 . 11 1 1 A 67 67 LYS CA C 67 54.906 54.505 0.401 1
1 718 . 11 1 1 A 67 67 LYS CB C 67 36.707 36.884 -0.177 1
1 722 . 11 1 1 A 67 67 LYS N N 67 115.613 117.551 -1.938 1
1 723 . 11 1 1 A 68 68 PHE H H 68 9.227 8.689 0.538 1
1 724 . 11 1 1 A 68 68 PHE HA H 68 5.296 5.214 0.082 1
1 732 . 11 1 1 A 68 68 PHE C C 68 171.230 172.100 -0.870 1
1 733 . 11 1 1 A 68 68 PHE CA C 68 56.576 56.055 0.521 1
1 734 . 11 1 1 A 68 68 PHE CB C 68 42.790 41.975 0.815 1
1 740 . 11 1 1 A 68 68 PHE N N 68 117.009 117.341 -0.332 1
1 741 . 11 1 1 A 69 69 GLU H H 69 9.527 9.129 0.398 1
1 742 . 11 1 1 A 69 69 GLU HA H 69 5.434 5.055 0.379 1
1 747 . 11 1 1 A 69 69 GLU C C 69 175.659 175.070 0.589 1
1 748 . 11 1 1 A 69 69 GLU CA C 69 53.429 54.642 -1.213 1
1 749 . 11 1 1 A 69 69 GLU CB C 69 33.460 33.189 0.271 1
1 751 . 11 1 1 A 69 69 GLU N N 69 119.470 120.088 -0.618 1
1 752 . 11 1 1 A 70 70 VAL H H 70 9.486 8.795 0.691 1
1 753 . 11 1 1 A 70 70 VAL HA H 70 4.486 4.699 -0.213 1
1 761 . 11 1 1 A 70 70 VAL C C 70 174.403 175.360 -0.957 1
1 762 . 11 1 1 A 70 70 VAL CA C 70 62.240 61.493 0.747 1
1 763 . 11 1 1 A 70 70 VAL CB C 70 33.706 33.037 0.669 1
1 766 . 11 1 1 A 70 70 VAL N N 70 123.935 126.288 -2.353 1
1 767 . 11 1 1 A 71 71 VAL H H 71 8.658 8.680 -0.022 1
1 768 . 11 1 1 A 71 71 VAL HA H 71 4.345 4.375 -0.030 1
1 776 . 11 1 1 A 71 71 VAL C C 71 175.524 175.567 -0.043 1
1 777 . 11 1 1 A 71 71 VAL CA C 71 63.365 62.731 0.634 1
1 778 . 11 1 1 A 71 71 VAL CB C 71 32.802 31.279 1.523 1
1 781 . 11 1 1 A 71 71 VAL N N 71 129.195 127.961 1.234 1
1 782 . 11 1 1 A 72 72 THR H H 72 8.134 8.069 0.065 1
1 783 . 11 1 1 A 72 72 THR HA H 72 5.515 5.321 0.194 1
1 788 . 11 1 1 A 72 72 THR C C 72 174.609 175.833 -1.224 1
1 789 . 11 1 1 A 72 72 THR CA C 72 59.496 59.286 0.210 1
1 790 . 11 1 1 A 72 72 THR CB C 72 72.139 71.930 0.209 1
1 792 . 11 1 1 A 72 72 THR N N 72 117.639 117.501 0.138 1
1 793 . 11 1 1 A 73 73 THR H H 73 8.944 9.204 -0.260 1
1 794 . 11 1 1 A 73 73 THR HA H 73 3.966 3.897 0.069 1
1 799 . 11 1 1 A 73 73 THR C C 73 175.783 175.869 -0.086 1
1 800 . 11 1 1 A 73 73 THR CA C 73 65.880 66.654 -0.774 1
1 801 . 11 1 1 A 73 73 THR CB C 73 68.604 69.111 -0.507 1
1 803 . 11 1 1 A 73 73 THR N N 73 114.027 118.136 -4.109 1
1 804 . 11 1 1 A 74 74 GLN H H 74 7.997 7.903 0.094 1
1 805 . 11 1 1 A 74 74 GLN HA H 74 4.350 4.092 0.258 1
1 812 . 11 1 1 A 74 74 GLN C C 74 175.698 175.966 -0.268 1
1 813 . 11 1 1 A 74 74 GLN CA C 74 56.910 58.998 -2.088 1
1 814 . 11 1 1 A 74 74 GLN CB C 74 30.624 28.803 1.821 1
1 816 . 11 1 1 A 74 74 GLN N N 74 115.670 118.227 -2.557 1
1 818 . 11 1 1 A 75 75 ARG H H 75 7.366 7.025 0.341 1
1 819 . 11 1 1 A 75 75 ARG HA H 75 4.395 4.479 -0.084 1
1 826 . 11 1 1 A 75 75 ARG C C 75 174.546 174.418 0.128 1
1 827 . 11 1 1 A 75 75 ARG CA C 75 55.802 54.948 0.854 1
1 828 . 11 1 1 A 75 75 ARG CB C 75 32.514 32.792 -0.278 1
1 831 . 11 1 1 A 75 75 ARG N N 75 115.650 113.057 2.593 1
1 832 . 11 1 1 A 76 76 THR H H 76 8.679 8.483 0.196 1
1 833 . 11 1 1 A 76 76 THR HA H 76 5.065 4.258 0.807 1
1 838 . 11 1 1 A 76 76 THR C C 76 173.239 174.116 -0.877 1
1 839 . 11 1 1 A 76 76 THR CA C 76 61.888 63.928 -2.040 1
1 840 . 11 1 1 A 76 76 THR CB C 76 69.878 69.252 0.626 1
1 842 . 11 1 1 A 76 76 THR N N 76 120.285 117.334 2.951 1
1 843 . 11 1 1 A 77 77 PHE H H 77 9.156 9.269 -0.113 1
1 844 . 11 1 1 A 77 77 PHE HA H 77 4.385 5.047 -0.662 1
1 852 . 11 1 1 A 77 77 PHE C C 77 174.028 174.545 -0.517 1
1 853 . 11 1 1 A 77 77 PHE CA C 77 56.822 56.100 0.722 1
1 854 . 11 1 1 A 77 77 PHE CB C 77 41.640 42.898 -1.258 1
1 860 . 11 1 1 A 77 77 PHE N N 77 127.212 126.553 0.659 1
1 861 . 11 1 1 A 78 78 VAL H H 78 8.374 8.412 -0.038 1
1 862 . 11 1 1 A 78 78 VAL HA H 78 4.506 4.744 -0.238 1
1 870 . 11 1 1 A 78 78 VAL C C 78 173.264 174.408 -1.144 1
1 871 . 11 1 1 A 78 78 VAL CA C 78 61.730 60.693 1.037 1
1 872 . 11 1 1 A 78 78 VAL CB C 78 33.254 35.602 -2.348 1
1 875 . 11 1 1 A 78 78 VAL N N 78 123.393 119.071 4.322 1
1 876 . 11 1 1 A 79 79 PHE H H 79 8.458 8.518 -0.060 1
1 877 . 11 1 1 A 79 79 PHE HA H 79 5.403 4.938 0.465 1
1 885 . 11 1 1 A 79 79 PHE C C 79 173.855 173.659 0.196 1
1 886 . 11 1 1 A 79 79 PHE CA C 79 55.151 55.629 -0.478 1
1 887 . 11 1 1 A 79 79 PHE CB C 79 42.913 42.827 0.086 1
1 893 . 11 1 1 A 79 79 PHE N N 79 123.801 124.723 -0.922 1
1 894 . 11 1 1 A 80 80 ARG H H 80 9.407 8.824 0.583 1
1 895 . 11 1 1 A 80 80 ARG HA H 80 5.134 4.974 0.160 1
1 902 . 11 1 1 A 80 80 ARG C C 80 174.634 174.941 -0.307 1
1 903 . 11 1 1 A 80 80 ARG CA C 80 54.431 53.833 0.598 1
1 904 . 11 1 1 A 80 80 ARG CB C 80 35.227 33.612 1.615 1
1 907 . 11 1 1 A 80 80 ARG N N 80 121.570 123.128 -1.558 1
1 908 . 11 1 1 A 81 81 VAL H H 81 8.544 8.521 0.023 1
1 909 . 11 1 1 A 81 81 VAL HA H 81 4.708 4.894 -0.186 1
1 917 . 11 1 1 A 81 81 VAL C C 81 175.050 175.724 -0.674 1
1 918 . 11 1 1 A 81 81 VAL CA C 81 59.602 59.232 0.370 1
1 919 . 11 1 1 A 81 81 VAL CB C 81 33.706 34.688 -0.982 1
1 922 . 11 1 1 A 81 81 VAL N N 81 122.128 119.945 2.183 1
1 923 . 11 1 1 A 82 82 GLU H H 82 8.549 8.835 -0.286 1
1 924 . 11 1 1 A 82 82 GLU HA H 82 4.132 4.590 -0.458 1
1 929 . 11 1 1 A 82 82 GLU C C 82 176.909 176.542 0.367 1
1 930 . 11 1 1 A 82 82 GLU CA C 82 58.973 57.146 1.827 1
1 931 . 11 1 1 A 82 82 GLU CB C 82 30.582 31.280 -0.698 1
1 933 . 11 1 1 A 82 82 GLU N N 82 121.776 119.721 2.055 1
1 934 . 11 1 1 A 83 83 LYS H H 83 7.618 7.859 -0.241 1
1 935 . 11 1 1 A 83 83 LYS HA H 83 4.708 4.689 0.019 1
1 944 . 11 1 1 A 83 83 LYS C C 83 176.665 176.513 0.152 1
1 945 . 11 1 1 A 83 83 LYS CA C 83 54.694 54.865 -0.171 1
1 946 . 11 1 1 A 83 83 LYS CB C 83 34.775 35.348 -0.573 1
1 950 . 11 1 1 A 83 83 LYS N N 83 115.778 119.429 -3.651 1
1 951 . 11 1 1 A 84 84 GLU H H 84 9.150 9.171 -0.021 1
1 952 . 11 1 1 A 84 84 GLU HA H 84 3.953 3.905 0.048 1
1 957 . 11 1 1 A 84 84 GLU C C 84 178.243 178.188 0.055 1
1 958 . 11 1 1 A 84 84 GLU CA C 84 60.217 60.339 -0.122 1
1 959 . 11 1 1 A 84 84 GLU CB C 84 29.843 29.515 0.328 1
1 961 . 11 1 1 A 84 84 GLU N N 84 127.798 125.029 2.769 1
1 962 . 11 1 1 A 85 85 GLU H H 85 9.626 8.366 1.260 1
1 963 . 11 1 1 A 85 85 GLU HA H 85 4.100 3.996 0.104 1
1 968 . 11 1 1 A 85 85 GLU C C 85 178.948 179.243 -0.295 1
1 969 . 11 1 1 A 85 85 GLU CA C 85 59.847 59.442 0.405 1
1 970 . 11 1 1 A 85 85 GLU CB C 85 28.897 29.150 -0.253 1
1 972 . 11 1 1 A 85 85 GLU N N 85 117.844 118.421 -0.577 1
1 973 . 11 1 1 A 86 86 GLU H H 86 7.257 8.471 -1.214 1
1 974 . 11 1 1 A 86 86 GLU HA H 86 4.365 3.975 0.390 1
1 979 . 11 1 1 A 86 86 GLU C C 86 178.607 178.830 -0.223 1
1 980 . 11 1 1 A 86 86 GLU CA C 86 58.089 59.426 -1.337 1
1 981 . 11 1 1 A 86 86 GLU CB C 86 30.212 29.354 0.858 1
1 983 . 11 1 1 A 86 86 GLU N N 86 118.075 120.427 -2.352 1
1 984 . 11 1 1 A 87 87 ARG H H 87 7.919 7.552 0.367 1
1 985 . 11 1 1 A 87 87 ARG HA H 87 3.838 3.953 -0.115 1
1 992 . 11 1 1 A 87 87 ARG C C 87 177.977 178.903 -0.926 1
1 993 . 11 1 1 A 87 87 ARG CA C 87 60.815 59.612 1.203 1
1 994 . 11 1 1 A 87 87 ARG CB C 87 28.856 30.277 -1.421 1
1 997 . 11 1 1 A 87 87 ARG N N 87 121.287 120.991 0.296 1
1 998 . 11 1 1 A 88 88 ASN H H 88 8.421 7.860 0.561 1
1 999 . 11 1 1 A 88 88 ASN HA H 88 4.295 4.423 -0.128 1
1 1004 . 11 1 1 A 88 88 ASN C C 88 177.423 177.738 -0.315 1
1 1005 . 11 1 1 A 88 88 ASN CA C 88 55.627 56.484 -0.857 1
1 1006 . 11 1 1 A 88 88 ASN CB C 88 37.136 37.909 -0.773 1
1 1007 . 11 1 1 A 88 88 ASN N N 88 116.926 116.821 0.105 1
1 1009 . 11 1 1 A 89 89 ASP H H 89 7.790 7.945 -0.155 1
1 1010 . 11 1 1 A 89 89 ASP HA H 89 4.389 4.243 0.146 1
1 1013 . 11 1 1 A 89 89 ASP C C 89 177.683 178.614 -0.931 1
1 1014 . 11 1 1 A 89 89 ASP CA C 89 57.737 57.427 0.310 1
1 1015 . 11 1 1 A 89 89 ASP CB C 89 41.352 40.314 1.038 1
1 1016 . 11 1 1 A 89 89 ASP N N 89 121.867 118.644 3.223 1
1 1017 . 11 1 1 A 90 90 TRP H H 90 7.690 8.429 -0.739 1
1 1018 . 11 1 1 A 90 90 TRP HA H 90 3.666 4.193 -0.527 1
1 1027 . 11 1 1 A 90 90 TRP C C 90 177.880 178.433 -0.553 1
1 1028 . 11 1 1 A 90 90 TRP CA C 90 61.704 59.681 2.023 1
1 1029 . 11 1 1 A 90 90 TRP CB C 90 29.594 29.146 0.448 1
1 1035 . 11 1 1 A 90 90 TRP N N 90 117.617 119.304 -1.687 1
1 1037 . 11 1 1 A 91 91 ILE H H 91 7.654 8.141 -0.487 1
1 1038 . 11 1 1 A 91 91 ILE HA H 91 3.275 3.593 -0.318 1
1 1048 . 11 1 1 A 91 91 ILE C C 91 177.138 177.802 -0.664 1
1 1049 . 11 1 1 A 91 91 ILE CA C 91 65.001 65.172 -0.171 1
1 1050 . 11 1 1 A 91 91 ILE CB C 91 36.913 37.699 -0.786 1
1 1054 . 11 1 1 A 91 91 ILE N N 91 114.248 120.445 -6.197 1
1 1055 . 11 1 1 A 92 92 SER H H 92 8.055 8.499 -0.444 1
1 1056 . 11 1 1 A 92 92 SER HA H 92 4.045 4.086 -0.041 1
1 1059 . 11 1 1 A 92 92 SER C C 92 177.204 177.184 0.020 1
1 1060 . 11 1 1 A 92 92 SER CA C 92 61.923 61.789 0.134 1
1 1061 . 11 1 1 A 92 92 SER CB C 92 62.767 63.019 -0.252 1
1 1062 . 11 1 1 A 92 92 SER N N 92 114.018 115.047 -1.029 1
1 1063 . 11 1 1 A 93 93 ILE H H 93 7.926 8.191 -0.265 1
1 1064 . 11 1 1 A 93 93 ILE HA H 93 3.795 3.679 0.116 1
1 1074 . 11 1 1 A 93 93 ILE C C 93 178.947 178.171 0.776 1
1 1075 . 11 1 1 A 93 93 ILE CA C 93 64.825 65.362 -0.537 1
1 1076 . 11 1 1 A 93 93 ILE CB C 93 37.693 38.024 -0.331 1
1 1080 . 11 1 1 A 93 93 ILE N N 93 120.974 120.617 0.357 1
1 1081 . 11 1 1 A 94 94 LEU H H 94 7.678 8.247 -0.569 1
1 1082 . 11 1 1 A 94 94 LEU HA H 94 3.634 3.692 -0.058 1
1 1092 . 11 1 1 A 94 94 LEU C C 94 178.551 178.904 -0.353 1
1 1093 . 11 1 1 A 94 94 LEU CA C 94 57.861 57.941 -0.080 1
1 1094 . 11 1 1 A 94 94 LEU CB C 94 42.356 41.783 0.573 1
1 1098 . 11 1 1 A 94 94 LEU N N 94 121.223 119.436 1.787 1
1 1099 . 11 1 1 A 95 95 LEU H H 95 8.954 8.407 0.547 1
1 1100 . 11 1 1 A 95 95 LEU HA H 95 4.037 3.841 0.196 1
1 1110 . 11 1 1 A 95 95 LEU C C 95 180.858 179.148 1.710 1
1 1111 . 11 1 1 A 95 95 LEU CA C 95 58.194 58.137 0.057 1
1 1112 . 11 1 1 A 95 95 LEU CB C 95 41.286 41.669 -0.383 1
1 1116 . 11 1 1 A 95 95 LEU N N 95 118.177 118.104 0.073 1
1 1117 . 11 1 1 A 96 96 ASN H H 96 8.235 8.581 -0.346 1
1 1118 . 11 1 1 A 96 96 ASN HA H 96 4.445 4.379 0.066 1
1 1123 . 11 1 1 A 96 96 ASN C C 96 177.901 177.372 0.529 1
1 1124 . 11 1 1 A 96 96 ASN CA C 96 56.347 57.165 -0.818 1
1 1125 . 11 1 1 A 96 96 ASN CB C 96 38.105 39.832 -1.727 1
1 1126 . 11 1 1 A 96 96 ASN N N 96 117.502 117.157 0.345 1
1 1128 . 11 1 1 A 97 97 ALA H H 97 7.756 7.903 -0.147 1
1 1129 . 11 1 1 A 97 97 ALA HA H 97 4.305 4.267 0.038 1
1 1133 . 11 1 1 A 97 97 ALA C C 97 180.315 180.513 -0.198 1
1 1134 . 11 1 1 A 97 97 ALA CA C 97 54.906 55.180 -0.274 1
1 1135 . 11 1 1 A 97 97 ALA CB C 97 19.214 18.512 0.702 1
1 1136 . 11 1 1 A 97 97 ALA N N 97 123.457 121.836 1.621 1
1 1137 . 11 1 1 A 98 98 LEU H H 98 8.335 8.068 0.267 1
1 1138 . 11 1 1 A 98 98 LEU HA H 98 4.055 4.024 0.031 1
1 1148 . 11 1 1 A 98 98 LEU C C 98 179.542 179.270 0.272 1
1 1149 . 11 1 1 A 98 98 LEU CA C 98 57.578 58.195 -0.617 1
1 1150 . 11 1 1 A 98 98 LEU CB C 98 42.174 41.596 0.578 1
1 1154 . 11 1 1 A 98 98 LEU N N 98 119.610 119.722 -0.112 1
1 1155 . 11 1 1 A 99 99 LYS H H 99 7.969 8.138 -0.169 1
1 1156 . 11 1 1 A 99 99 LYS HA H 99 4.203 4.092 0.111 1
1 1165 . 11 1 1 A 99 99 LYS C C 99 178.392 178.720 -0.328 1
1 1166 . 11 1 1 A 99 99 LYS CA C 99 58.563 58.990 -0.427 1
1 1167 . 11 1 1 A 99 99 LYS CB C 99 32.267 31.763 0.504 1
1 1171 . 11 1 1 A 99 99 LYS N N 99 119.323 118.500 0.823 1
1 1172 . 11 1 1 A 100 100 SER H H 100 7.854 7.961 -0.107 1
1 1173 . 11 1 1 A 100 100 SER HA H 100 4.404 4.119 0.285 1
1 1176 . 11 1 1 A 100 100 SER C C 100 175.449 177.480 -2.031 1
1 1177 . 11 1 1 A 100 100 SER CA C 100 60.076 61.580 -1.504 1
1 1178 . 11 1 1 A 100 100 SER CB C 100 63.600 62.861 0.739 1
1 1179 . 11 1 1 A 100 100 SER N N 100 114.116 114.995 -0.879 1
1 1180 . 11 1 1 A 101 101 GLN H H 101 7.863 7.666 0.197 1
1 1181 . 11 1 1 A 101 101 GLN HA H 101 4.294 4.084 0.210 1
1 1188 . 11 1 1 A 101 101 GLN C C 101 176.613 176.451 0.162 1
1 1189 . 11 1 1 A 101 101 GLN CA C 101 57.121 59.104 -1.983 1
1 1190 . 11 1 1 A 101 101 GLN CB C 101 29.761 28.413 1.348 1
1 1192 . 11 1 1 A 101 101 GLN N N 101 120.923 121.322 -0.399 1
1 1194 . 11 1 1 A 102 102 SER H H 102 8.170 7.576 0.594 1
1 1195 . 11 1 1 A 102 102 SER HA H 102 4.445 4.654 -0.209 1
1 1198 . 11 1 1 A 102 102 SER C C 102 175.030 173.619 1.411 1
1 1199 . 11 1 1 A 102 102 SER CA C 102 59.162 56.869 2.293 1
1 1200 . 11 1 1 A 102 102 SER CB C 102 63.466 63.718 -0.252 1
1 1201 . 11 1 1 A 102 102 SER N N 102 115.689 114.754 0.935 1
1 1202 . 11 1 1 A 103 103 LEU H H 103 8.111 8.969 -0.858 1
1 1203 . 11 1 1 A 103 103 LEU HA H 103 4.400 4.648 -0.248 1
1 1213 . 11 1 1 A 103 103 LEU C C 103 178.263 177.050 1.213 1
1 1214 . 11 1 1 A 103 103 LEU CA C 103 55.908 54.223 1.685 1
1 1215 . 11 1 1 A 103 103 LEU CB C 103 42.215 42.328 -0.113 1
1 1219 . 11 1 1 A 103 103 LEU N N 103 123.252 129.043 -5.791 1
1 1220 . 11 1 1 A 104 104 THR H H 104 8.064 8.709 -0.645 1
1 1221 . 11 1 1 A 104 104 THR HA H 104 4.354 4.610 -0.256 1
1 1226 . 11 1 1 A 104 104 THR C C 104 175.092 173.181 1.911 1
1 1227 . 11 1 1 A 104 104 THR CA C 104 62.368 61.023 1.345 1
1 1228 . 11 1 1 A 104 104 THR CB C 104 69.673 69.499 0.174 1
1 1230 . 11 1 1 A 104 104 THR N N 104 113.441 116.579 -3.138 1
1 1231 . 11 1 1 A 105 105 SER H H 105 8.231 7.649 0.582 1
1 1232 . 11 1 1 A 105 105 SER C C 105 177.959 171.770 6.189 1
1 1233 . 11 1 1 A 105 105 SER CA C 105 58.406 57.690 0.716 1
1 1234 . 11 1 1 A 105 105 SER CB C 105 63.507 67.100 -3.593 1
1 1235 . 11 1 1 A 105 105 SER N N 105 117.638 116.521 1.117 1
1 1236 . 11 1 1 A 106 106 GLN HA H 106 4.365 4.570 -0.205 1
1 1239 . 11 1 1 A 106 106 GLN C C 106 176.322 175.559 0.763 1
1 1240 . 11 1 1 A 106 106 GLN CA C 106 56.189 55.029 1.160 1
1 1241 . 11 1 1 A 106 106 GLN CB C 106 29.226 30.293 -1.067 1
1 1243 . 11 1 1 A 107 107 SER H H 107 8.287 8.787 -0.500 1
1 1244 . 11 1 1 A 107 107 SER HA H 107 4.404 4.685 -0.281 1
1 1246 . 11 1 1 A 107 107 SER C C 107 174.687 173.983 0.704 1
1 1247 . 11 1 1 A 107 107 SER CA C 107 58.722 59.556 -0.834 1
1 1248 . 11 1 1 A 107 107 SER CB C 107 63.713 63.584 0.129 1
1 1249 . 11 1 1 A 107 107 SER N N 107 116.578 123.765 -7.187 1
1 1250 . 11 1 1 A 108 108 GLN H H 108 8.354 8.615 -0.261 1
1 1251 . 11 1 1 A 108 108 GLN HA H 108 4.349 4.928 -0.579 1
1 1258 . 11 1 1 A 108 108 GLN C C 108 175.798 175.460 0.338 1
1 1259 . 11 1 1 A 108 108 GLN CA C 108 55.820 54.077 1.743 1
1 1260 . 11 1 1 A 108 108 GLN CB C 108 29.432 31.385 -1.953 1
1 1262 . 11 1 1 A 108 108 GLN N N 108 122.015 126.603 -4.588 1
1 1264 . 11 1 1 A 109 109 ALA H H 109 8.301 8.349 -0.048 1
1 1265 . 11 1 1 A 109 109 ALA HA H 109 4.345 4.234 0.111 1
1 1269 . 11 1 1 A 109 109 ALA C C 109 177.749 177.440 0.309 1
1 1270 . 11 1 1 A 109 109 ALA CA C 109 52.672 53.149 -0.477 1
1 1271 . 11 1 1 A 109 109 ALA CB C 109 19.237 18.764 0.473 1
1 1272 . 11 1 1 A 109 109 ALA N N 109 125.243 127.108 -1.865 1
1 1273 . 11 1 1 A 110 110 SER H H 110 8.290 8.762 -0.472 1
1 1274 . 11 1 1 A 110 110 SER HA H 110 4.459 4.903 -0.444 1
1 1277 . 11 1 1 A 110 110 SER C C 110 174.593 172.375 2.218 1
1 1278 . 11 1 1 A 110 110 SER CA C 110 58.248 56.643 1.605 1
1 1279 . 11 1 1 A 110 110 SER CB C 110 63.918 64.917 -0.999 1
1 1280 . 11 1 1 A 110 110 SER N N 110 115.148 118.064 -2.916 1
1 1281 . 11 1 1 A 111 111 GLY H H 111 8.199 8.505 -0.306 1
1 1282 . 11 1 1 A 111 111 GLY HA2 H 111 4.167 4.387 -0.220 1
1 1283 . 11 1 1 A 111 111 GLY HA3 H 111 4.094 4.387 -0.293 1
1 1284 . 11 1 1 A 111 111 GLY C C 111 171.782 171.973 -0.191 1
1 1285 . 11 1 1 A 111 111 GLY CA C 111 44.652 45.481 -0.829 1
1 1286 . 11 1 1 A 111 111 GLY N N 111 110.586 110.187 0.399 1
1 1287 . 11 1 1 A 112 112 PRO HA H 112 4.471 4.756 -0.285 1
1 1294 . 11 1 1 A 112 112 PRO CA C 112 63.154 62.755 0.399 1
1 1295 . 11 1 1 A 112 112 PRO CB C 112 32.314 33.174 -0.860 1
1 1 . 12 1 1 A 7 7 GLY H H 7 9.055 8.484 0.571 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.908 4.124 -0.216 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 3.968 4.133 -0.165 1
1 4 . 12 1 1 A 7 7 GLY C C 7 173.671 174.709 -1.038 1
1 5 . 12 1 1 A 7 7 GLY CA C 7 45.421 45.425 -0.004 1
1 6 . 12 1 1 A 8 8 LYS H H 8 8.145 7.970 0.175 1
1 7 . 12 1 1 A 8 8 LYS HA H 8 4.345 4.424 -0.079 1
1 16 . 12 1 1 A 8 8 LYS C C 8 175.255 176.241 -0.986 1
1 17 . 12 1 1 A 8 8 LYS CA C 8 56.330 56.202 0.128 1
1 18 . 12 1 1 A 8 8 LYS CB C 8 33.583 32.830 0.753 1
1 22 . 12 1 1 A 8 8 LYS N N 8 120.101 121.407 -1.306 1
1 23 . 12 1 1 A 9 9 VAL H H 9 7.579 7.482 0.097 1
1 24 . 12 1 1 A 9 9 VAL HA H 9 4.473 5.054 -0.581 1
1 32 . 12 1 1 A 9 9 VAL C C 9 174.860 174.471 0.389 1
1 33 . 12 1 1 A 9 9 VAL CA C 9 59.989 58.820 1.169 1
1 34 . 12 1 1 A 9 9 VAL CB C 9 34.218 35.941 -1.723 1
1 37 . 12 1 1 A 9 9 VAL N N 9 114.437 117.959 -3.522 1
1 38 . 12 1 1 A 10 10 LYS H H 10 8.236 8.796 -0.560 1
1 39 . 12 1 1 A 10 10 LYS HA H 10 4.345 4.651 -0.306 1
1 48 . 12 1 1 A 10 10 LYS C C 10 172.963 174.485 -1.522 1
1 49 . 12 1 1 A 10 10 LYS CA C 10 56.096 55.518 0.578 1
1 50 . 12 1 1 A 10 10 LYS CB C 10 36.131 35.896 0.235 1
1 54 . 12 1 1 A 10 10 LYS N N 10 122.938 122.756 0.182 1
1 55 . 12 1 1 A 11 11 SER H H 11 8.168 8.642 -0.474 1
1 56 . 12 1 1 A 11 11 SER HA H 11 5.669 5.281 0.388 1
1 59 . 12 1 1 A 11 11 SER C C 11 173.281 172.870 0.411 1
1 60 . 12 1 1 A 11 11 SER CA C 11 55.960 56.829 -0.869 1
1 61 . 12 1 1 A 11 11 SER CB C 11 66.326 66.472 -0.146 1
1 62 . 12 1 1 A 11 11 SER N N 11 119.068 119.271 -0.203 1
1 63 . 12 1 1 A 12 12 GLY H H 12 8.248 7.338 0.910 1
1 64 . 12 1 1 A 12 12 GLY HA2 H 12 4.168 3.852 0.316 1
1 65 . 12 1 1 A 12 12 GLY HA3 H 12 3.478 4.163 -0.685 1
1 66 . 12 1 1 A 12 12 GLY C C 12 170.778 171.018 -0.240 1
1 67 . 12 1 1 A 12 12 GLY CA C 12 45.654 45.830 -0.176 1
1 68 . 12 1 1 A 12 12 GLY N N 12 108.756 107.358 1.398 1
1 69 . 12 1 1 A 13 13 TRP H H 13 8.622 8.458 0.164 1
1 70 . 12 1 1 A 13 13 TRP HA H 13 5.398 5.142 0.256 1
1 79 . 12 1 1 A 13 13 TRP C C 13 177.511 175.737 1.774 1
1 80 . 12 1 1 A 13 13 TRP CA C 13 57.069 56.280 0.789 1
1 81 . 12 1 1 A 13 13 TRP CB C 13 30.295 30.026 0.269 1
1 87 . 12 1 1 A 13 13 TRP N N 13 119.518 121.116 -1.598 1
1 89 . 12 1 1 A 14 14 LEU H H 14 9.524 8.820 0.704 1
1 90 . 12 1 1 A 14 14 LEU HA H 14 4.791 5.137 -0.346 1
1 100 . 12 1 1 A 14 14 LEU C C 14 175.381 175.446 -0.065 1
1 101 . 12 1 1 A 14 14 LEU CA C 14 54.096 53.387 0.709 1
1 102 . 12 1 1 A 14 14 LEU CB C 14 47.682 44.939 2.743 1
1 106 . 12 1 1 A 14 14 LEU N N 14 124.165 125.512 -1.347 1
1 107 . 12 1 1 A 15 15 ASP H H 15 8.335 8.710 -0.375 1
1 108 . 12 1 1 A 15 15 ASP HA H 15 5.424 5.584 -0.160 1
1 111 . 12 1 1 A 15 15 ASP C C 15 175.302 175.340 -0.038 1
1 112 . 12 1 1 A 15 15 ASP CA C 15 53.252 53.502 -0.250 1
1 113 . 12 1 1 A 15 15 ASP CB C 15 42.420 43.228 -0.808 1
1 114 . 12 1 1 A 15 15 ASP N N 15 120.275 121.414 -1.139 1
1 115 . 12 1 1 A 16 16 LYS H H 16 9.444 9.193 0.251 1
1 116 . 12 1 1 A 16 16 LYS HA H 16 4.781 4.916 -0.135 1
1 125 . 12 1 1 A 16 16 LYS C C 16 176.244 174.398 1.846 1
1 126 . 12 1 1 A 16 16 LYS CA C 16 54.782 54.660 0.122 1
1 127 . 12 1 1 A 16 16 LYS CB C 16 36.666 35.880 0.786 1
1 131 . 12 1 1 A 16 16 LYS N N 16 125.854 123.179 2.675 1
1 132 . 12 1 1 A 17 17 LEU H H 17 8.387 8.540 -0.153 1
1 133 . 12 1 1 A 17 17 LEU HA H 17 3.476 4.068 -0.592 1
1 143 . 12 1 1 A 17 17 LEU C C 17 175.840 176.103 -0.263 1
1 144 . 12 1 1 A 17 17 LEU CA C 17 55.715 53.122 2.593 1
1 145 . 12 1 1 A 17 17 LEU CB C 17 41.986 40.873 1.113 1
1 149 . 12 1 1 A 17 17 LEU N N 17 130.736 127.887 2.849 1
1 150 . 12 1 1 A 18 18 SER H H 18 8.378 8.360 0.018 1
1 151 . 12 1 1 A 18 18 SER HA H 18 4.563 4.240 0.323 1
1 154 . 12 1 1 A 18 18 SER C C 18 172.291 174.828 -2.537 1
1 155 . 12 1 1 A 18 18 SER CA C 18 55.697 63.241 -7.544 1
1 156 . 12 1 1 A 18 18 SER CB C 18 62.885 62.584 0.301 1
1 157 . 12 1 1 A 18 18 SER N N 18 123.037 120.913 2.124 1
1 158 . 12 1 1 A 19 19 PRO HA H 19 4.414 4.682 -0.268 1
1 165 . 12 1 1 A 19 19 PRO CA C 19 63.946 62.691 1.255 1
1 166 . 12 1 1 A 19 19 PRO CB C 19 32.128 32.725 -0.597 1
1 169 . 12 1 1 A 20 20 GLN H H 20 8.085 8.430 -0.345 1
1 170 . 12 1 1 A 20 20 GLN HA H 20 4.353 4.781 -0.428 1
1 175 . 12 1 1 A 20 20 GLN CA C 20 55.533 54.203 1.330 1
1 176 . 12 1 1 A 20 20 GLN CB C 20 30.130 31.903 -1.773 1
1 178 . 12 1 1 A 20 20 GLN N N 20 119.721 120.634 -0.913 1
1 179 . 12 1 1 A 22 22 LYS H H 22 8.151 7.705 0.446 1
1 180 . 12 1 1 A 22 22 LYS HA H 22 4.165 4.215 -0.050 1
1 185 . 12 1 1 A 22 22 LYS C C 22 176.016 176.112 -0.096 1
1 186 . 12 1 1 A 22 22 LYS CA C 22 56.717 55.578 1.139 1
1 187 . 12 1 1 A 22 22 LYS CB C 22 32.303 32.053 0.250 1
1 191 . 12 1 1 A 23 23 ARG H H 23 8.329 8.636 -0.307 1
1 192 . 12 1 1 A 23 23 ARG HA H 23 3.937 4.399 -0.462 1
1 199 . 12 1 1 A 23 23 ARG C C 23 174.937 174.902 0.035 1
1 200 . 12 1 1 A 23 23 ARG CA C 23 56.436 56.634 -0.198 1
1 201 . 12 1 1 A 23 23 ARG CB C 23 29.144 30.222 -1.078 1
1 204 . 12 1 1 A 23 23 ARG N N 23 119.006 126.243 -7.237 1
1 205 . 12 1 1 A 24 24 MET H H 24 7.965 7.797 0.168 1
1 206 . 12 1 1 A 24 24 MET HA H 24 4.492 4.958 -0.466 1
1 209 . 12 1 1 A 24 24 MET C C 24 174.737 174.180 0.557 1
1 210 . 12 1 1 A 24 24 MET CA C 24 55.134 54.792 0.342 1
1 211 . 12 1 1 A 24 24 MET CB C 24 33.665 35.948 -2.283 1
1 213 . 12 1 1 A 24 24 MET N N 24 120.460 124.404 -3.944 1
1 214 . 12 1 1 A 25 25 PHE H H 25 8.593 9.301 -0.708 1
1 215 . 12 1 1 A 25 25 PHE HA H 25 4.788 5.242 -0.454 1
1 223 . 12 1 1 A 25 25 PHE C C 25 175.712 174.941 0.771 1
1 224 . 12 1 1 A 25 25 PHE CA C 25 57.421 56.580 0.841 1
1 225 . 12 1 1 A 25 25 PHE CB C 25 41.890 43.501 -1.611 1
1 231 . 12 1 1 A 25 25 PHE N N 25 121.330 124.057 -2.727 1
1 232 . 12 1 1 A 26 26 GLN H H 26 8.758 8.789 -0.031 1
1 233 . 12 1 1 A 26 26 GLN HA H 26 4.777 5.118 -0.341 1
1 240 . 12 1 1 A 26 26 GLN C C 26 175.149 174.493 0.656 1
1 241 . 12 1 1 A 26 26 GLN CA C 26 53.991 54.781 -0.790 1
1 242 . 12 1 1 A 26 26 GLN CB C 26 32.144 32.556 -0.412 1
1 244 . 12 1 1 A 26 26 GLN N N 26 119.081 118.184 0.897 1
1 246 . 12 1 1 A 27 27 LYS H H 27 8.913 8.617 0.296 1
1 247 . 12 1 1 A 27 27 LYS HA H 27 4.933 4.754 0.179 1
1 256 . 12 1 1 A 27 27 LYS C C 27 177.786 175.263 2.523 1
1 257 . 12 1 1 A 27 27 LYS CA C 27 57.843 56.561 1.282 1
1 258 . 12 1 1 A 27 27 LYS CB C 27 32.720 33.227 -0.507 1
1 262 . 12 1 1 A 27 27 LYS N N 27 126.903 125.019 1.884 1
1 263 . 12 1 1 A 28 28 ARG H H 28 9.847 8.793 1.054 1
1 264 . 12 1 1 A 28 28 ARG HA H 28 5.236 5.199 0.037 1
1 271 . 12 1 1 A 28 28 ARG C C 28 173.319 175.424 -2.105 1
1 272 . 12 1 1 A 28 28 ARG CA C 28 53.481 54.744 -1.263 1
1 273 . 12 1 1 A 28 28 ARG CB C 28 34.405 32.880 1.525 1
1 276 . 12 1 1 A 28 28 ARG N N 28 127.032 126.009 1.023 1
1 277 . 12 1 1 A 29 29 TRP H H 29 8.408 8.750 -0.342 1
1 278 . 12 1 1 A 29 29 TRP HA H 29 4.424 4.607 -0.183 1
1 285 . 12 1 1 A 29 29 TRP C C 29 174.606 175.061 -0.455 1
1 286 . 12 1 1 A 29 29 TRP CA C 29 56.383 58.403 -2.020 1
1 287 . 12 1 1 A 29 29 TRP CB C 29 29.226 29.644 -0.418 1
1 292 . 12 1 1 A 29 29 TRP N N 29 124.511 127.236 -2.725 1
1 293 . 12 1 1 A 30 30 VAL H H 30 8.464 7.921 0.543 1
1 294 . 12 1 1 A 30 30 VAL HA H 30 4.736 4.936 -0.200 1
1 302 . 12 1 1 A 30 30 VAL C C 30 172.903 174.559 -1.656 1
1 303 . 12 1 1 A 30 30 VAL CA C 30 61.219 60.564 0.655 1
1 304 . 12 1 1 A 30 30 VAL CB C 30 32.925 34.583 -1.658 1
1 307 . 12 1 1 A 30 30 VAL N N 30 129.572 127.415 2.157 1
1 308 . 12 1 1 A 31 31 LYS H H 31 9.125 8.465 0.660 1
1 309 . 12 1 1 A 31 31 LYS HA H 31 5.095 4.833 0.262 1
1 318 . 12 1 1 A 31 31 LYS C C 31 175.396 174.081 1.315 1
1 319 . 12 1 1 A 31 31 LYS CA C 31 54.677 55.187 -0.510 1
1 320 . 12 1 1 A 31 31 LYS CB C 31 37.036 36.403 0.633 1
1 324 . 12 1 1 A 31 31 LYS N N 31 124.358 125.638 -1.280 1
1 325 . 12 1 1 A 32 32 PHE H H 32 9.725 9.562 0.163 1
1 326 . 12 1 1 A 32 32 PHE HA H 32 5.905 5.061 0.844 1
1 334 . 12 1 1 A 32 32 PHE C C 32 174.555 175.888 -1.333 1
1 335 . 12 1 1 A 32 32 PHE CA C 32 56.224 56.718 -0.494 1
1 336 . 12 1 1 A 32 32 PHE CB C 32 41.804 41.286 0.518 1
1 342 . 12 1 1 A 32 32 PHE N N 32 125.979 128.480 -2.501 1
1 343 . 12 1 1 A 33 33 ASP H H 33 7.884 7.829 0.055 1
1 344 . 12 1 1 A 33 33 ASP HA H 33 4.555 4.809 -0.254 1
1 347 . 12 1 1 A 33 33 ASP C C 33 175.730 176.711 -0.981 1
1 348 . 12 1 1 A 33 33 ASP CA C 33 52.602 52.665 -0.063 1
1 349 . 12 1 1 A 33 33 ASP CB C 33 41.686 40.847 0.839 1
1 350 . 12 1 1 A 33 33 ASP N N 33 126.924 124.198 2.726 1
1 351 . 12 1 1 A 34 34 GLY H H 34 4.680 6.237 -1.557 1
1 352 . 12 1 1 A 34 34 GLY HA2 H 34 4.252 3.407 0.845 1
1 353 . 12 1 1 A 34 34 GLY HA3 H 34 3.023 3.697 -0.674 1
1 354 . 12 1 1 A 34 34 GLY C C 34 172.363 174.885 -2.522 1
1 355 . 12 1 1 A 34 34 GLY CA C 34 45.672 44.827 0.845 1
1 356 . 12 1 1 A 35 35 LEU H H 35 8.148 7.691 0.457 1
1 357 . 12 1 1 A 35 35 LEU HA H 35 4.623 4.340 0.283 1
1 367 . 12 1 1 A 35 35 LEU C C 35 177.783 176.366 1.417 1
1 368 . 12 1 1 A 35 35 LEU CA C 35 55.978 55.825 0.153 1
1 369 . 12 1 1 A 35 35 LEU CB C 35 44.352 43.285 1.067 1
1 373 . 12 1 1 A 35 35 LEU N N 35 120.632 119.173 1.459 1
1 374 . 12 1 1 A 36 36 SER H H 36 9.064 7.669 1.395 1
1 375 . 12 1 1 A 36 36 SER HA H 36 5.059 5.040 0.019 1
1 378 . 12 1 1 A 36 36 SER C C 36 173.878 172.446 1.432 1
1 379 . 12 1 1 A 36 36 SER CA C 36 57.667 57.766 -0.099 1
1 380 . 12 1 1 A 36 36 SER CB C 36 66.140 67.364 -1.224 1
1 381 . 12 1 1 A 36 36 SER N N 36 115.030 111.003 4.027 1
1 382 . 12 1 1 A 37 37 ILE H H 37 8.981 9.230 -0.249 1
1 383 . 12 1 1 A 37 37 ILE HA H 37 5.055 5.031 0.024 1
1 393 . 12 1 1 A 37 37 ILE C C 37 174.995 175.072 -0.077 1
1 394 . 12 1 1 A 37 37 ILE CA C 37 61.061 60.849 0.212 1
1 395 . 12 1 1 A 37 37 ILE CB C 37 39.355 38.199 1.156 1
1 399 . 12 1 1 A 37 37 ILE N N 37 122.186 124.109 -1.923 1
1 400 . 12 1 1 A 38 38 SER H H 38 9.422 9.008 0.414 1
1 401 . 12 1 1 A 38 38 SER HA H 38 5.297 5.133 0.164 1
1 404 . 12 1 1 A 38 38 SER C C 38 172.177 173.684 -1.507 1
1 405 . 12 1 1 A 38 38 SER CA C 38 56.910 56.916 -0.006 1
1 406 . 12 1 1 A 38 38 SER CB C 38 66.018 64.350 1.668 1
1 407 . 12 1 1 A 38 38 SER N N 38 122.548 123.097 -0.549 1
1 408 . 12 1 1 A 39 39 TYR H H 39 7.649 8.309 -0.660 1
1 409 . 12 1 1 A 39 39 TYR HA H 39 6.025 6.347 -0.322 1
1 416 . 12 1 1 A 39 39 TYR C C 39 173.937 173.478 0.459 1
1 417 . 12 1 1 A 39 39 TYR CA C 39 54.144 55.151 -1.007 1
1 418 . 12 1 1 A 39 39 TYR CB C 39 41.722 41.986 -0.264 1
1 423 . 12 1 1 A 39 39 TYR N N 39 116.176 119.904 -3.728 1
1 424 . 12 1 1 A 40 40 TYR H H 40 9.647 9.459 0.188 1
1 425 . 12 1 1 A 40 40 TYR HA H 40 5.044 5.194 -0.150 1
1 432 . 12 1 1 A 40 40 TYR CA C 40 56.928 56.496 0.432 1
1 433 . 12 1 1 A 40 40 TYR CB C 40 43.678 43.339 0.339 1
1 438 . 12 1 1 A 40 40 TYR N N 40 118.964 119.972 -1.008 1
1 439 . 12 1 1 A 41 41 ASN H H 41 7.712 8.916 -1.204 1
1 440 . 12 1 1 A 41 41 ASN HA H 41 4.867 5.640 -0.773 1
1 445 . 12 1 1 A 41 41 ASN CB C 41 39.279 42.507 -3.228 1
1 446 . 12 1 1 A 41 41 ASN N N 41 109.731 117.773 -8.042 1
1 448 . 12 1 1 A 42 42 ASN H H 42 9.215 8.965 0.250 1
1 449 . 12 1 1 A 42 42 ASN HA H 42 4.868 4.931 -0.063 1
1 452 . 12 1 1 A 42 42 ASN CA C 42 52.812 52.331 0.481 1
1 453 . 12 1 1 A 42 42 ASN CB C 42 39.180 37.356 1.824 1
1 458 . 12 1 1 A 44 44 LYS CB C 44 35.364 33.045 2.319 1
1 460 . 12 1 1 A 46 46 MET H H 46 8.285 8.806 -0.521 1
1 461 . 12 1 1 A 46 46 MET HA H 46 4.218 4.672 -0.454 1
1 466 . 12 1 1 A 46 46 MET CA C 46 56.523 53.939 2.584 1
1 467 . 12 1 1 A 46 46 MET CB C 46 33.665 37.609 -3.944 1
1 469 . 12 1 1 A 47 47 TYR H H 47 7.965 8.549 -0.584 1
1 470 . 12 1 1 A 47 47 TYR HA H 47 4.935 5.072 -0.137 1
1 477 . 12 1 1 A 47 47 TYR CA C 47 55.861 57.572 -1.711 1
1 478 . 12 1 1 A 47 47 TYR CB C 47 38.476 39.341 -0.865 1
1 483 . 12 1 1 A 47 47 TYR N N 47 117.521 119.857 -2.336 1
1 484 . 12 1 1 A 49 49 LYS H H 49 8.704 8.491 0.213 1
1 485 . 12 1 1 A 49 49 LYS HA H 49 4.369 4.113 0.256 1
1 494 . 12 1 1 A 49 49 LYS CA C 49 54.891 58.256 -3.365 1
1 495 . 12 1 1 A 49 49 LYS CB C 49 32.501 32.940 -0.439 1
1 499 . 12 1 1 A 50 50 GLY H H 50 6.985 8.135 -1.150 1
1 500 . 12 1 1 A 50 50 GLY HA2 H 50 3.825 3.569 0.256 1
1 501 . 12 1 1 A 50 50 GLY HA3 H 50 3.265 3.862 -0.597 1
1 502 . 12 1 1 A 50 50 GLY C C 50 170.241 173.009 -2.768 1
1 503 . 12 1 1 A 50 50 GLY CA C 50 45.039 45.185 -0.146 1
1 504 . 12 1 1 A 50 50 GLY N N 50 108.097 106.087 2.010 1
1 505 . 12 1 1 A 51 51 ILE H H 51 7.890 7.946 -0.056 1
1 506 . 12 1 1 A 51 51 ILE HA H 51 4.777 4.908 -0.131 1
1 516 . 12 1 1 A 51 51 ILE C C 51 175.026 173.188 1.838 1
1 517 . 12 1 1 A 51 51 ILE CA C 51 60.217 59.410 0.807 1
1 518 . 12 1 1 A 51 51 ILE CB C 51 42.388 41.778 0.610 1
1 522 . 12 1 1 A 51 51 ILE N N 51 117.769 121.469 -3.700 1
1 523 . 12 1 1 A 52 52 ILE H H 52 9.485 9.009 0.476 1
1 524 . 12 1 1 A 52 52 ILE HA H 52 4.533 4.773 -0.240 1
1 534 . 12 1 1 A 52 52 ILE C C 52 173.526 175.006 -1.480 1
1 535 . 12 1 1 A 52 52 ILE CA C 52 57.983 57.984 -0.001 1
1 536 . 12 1 1 A 52 52 ILE CB C 52 40.324 38.905 1.419 1
1 540 . 12 1 1 A 52 52 ILE N N 52 127.899 128.756 -0.857 1
1 541 . 12 1 1 A 53 53 PRO HA H 53 4.501 4.767 -0.266 1
1 548 . 12 1 1 A 53 53 PRO C C 53 177.663 178.198 -0.535 1
1 549 . 12 1 1 A 53 53 PRO CA C 53 62.838 62.967 -0.129 1
1 550 . 12 1 1 A 53 53 PRO CB C 53 31.939 32.167 -0.228 1
1 553 . 12 1 1 A 54 54 LEU H H 54 8.647 9.054 -0.407 1
1 554 . 12 1 1 A 54 54 LEU HA H 54 3.985 4.221 -0.236 1
1 564 . 12 1 1 A 54 54 LEU C C 54 178.940 178.189 0.751 1
1 565 . 12 1 1 A 54 54 LEU CA C 54 58.371 57.824 0.547 1
1 566 . 12 1 1 A 54 54 LEU CB C 54 42.388 41.575 0.813 1
1 570 . 12 1 1 A 54 54 LEU N N 54 124.847 127.045 -2.198 1
1 571 . 12 1 1 A 55 55 SER H H 55 8.278 8.395 -0.117 1
1 572 . 12 1 1 A 55 55 SER HA H 55 4.169 4.223 -0.054 1
1 575 . 12 1 1 A 55 55 SER C C 55 174.956 176.625 -1.669 1
1 576 . 12 1 1 A 55 55 SER CA C 55 59.971 61.384 -1.413 1
1 577 . 12 1 1 A 55 55 SER CB C 55 62.721 62.379 0.342 1
1 578 . 12 1 1 A 55 55 SER N N 55 109.639 114.731 -5.092 1
1 579 . 12 1 1 A 56 56 ALA H H 56 7.796 7.960 -0.164 1
1 580 . 12 1 1 A 56 56 ALA HA H 56 4.545 4.150 0.395 1
1 584 . 12 1 1 A 56 56 ALA C C 56 177.505 178.745 -1.240 1
1 585 . 12 1 1 A 56 56 ALA CA C 56 52.022 55.450 -3.428 1
1 586 . 12 1 1 A 56 56 ALA CB C 56 20.240 18.392 1.848 1
1 587 . 12 1 1 A 56 56 ALA N N 56 123.057 122.291 0.766 1
1 588 . 12 1 1 A 57 57 ILE H H 57 7.664 7.273 0.391 1
1 589 . 12 1 1 A 57 57 ILE HA H 57 4.035 4.653 -0.618 1
1 599 . 12 1 1 A 57 57 ILE C C 57 175.285 176.318 -1.033 1
1 600 . 12 1 1 A 57 57 ILE CA C 57 62.697 62.099 0.598 1
1 601 . 12 1 1 A 57 57 ILE CB C 57 38.474 37.195 1.279 1
1 605 . 12 1 1 A 57 57 ILE N N 57 119.512 117.673 1.839 1
1 606 . 12 1 1 A 58 58 SER H H 58 9.364 9.262 0.102 1
1 607 . 12 1 1 A 58 58 SER HA H 58 4.526 4.409 0.117 1
1 610 . 12 1 1 A 58 58 SER C C 58 175.125 174.033 1.092 1
1 611 . 12 1 1 A 58 58 SER CA C 58 59.215 60.459 -1.244 1
1 612 . 12 1 1 A 58 58 SER CB C 58 63.590 63.802 -0.212 1
1 613 . 12 1 1 A 58 58 SER N N 58 122.513 124.442 -1.929 1
1 614 . 12 1 1 A 59 59 THR H H 59 7.502 7.542 -0.040 1
1 615 . 12 1 1 A 59 59 THR HA H 59 4.355 4.596 -0.241 1
1 620 . 12 1 1 A 59 59 THR C C 59 170.784 171.714 -0.930 1
1 621 . 12 1 1 A 59 59 THR CA C 59 61.132 61.441 -0.309 1
1 622 . 12 1 1 A 59 59 THR CB C 59 68.686 71.367 -2.681 1
1 624 . 12 1 1 A 59 59 THR N N 59 112.470 112.542 -0.072 1
1 625 . 12 1 1 A 60 60 VAL H H 60 7.766 8.921 -1.155 1
1 626 . 12 1 1 A 60 60 VAL HA H 60 5.326 5.124 0.202 1
1 634 . 12 1 1 A 60 60 VAL C C 60 174.166 174.179 -0.013 1
1 635 . 12 1 1 A 60 60 VAL CA C 60 60.410 60.913 -0.503 1
1 636 . 12 1 1 A 60 60 VAL CB C 60 34.979 33.894 1.085 1
1 639 . 12 1 1 A 60 60 VAL N N 60 121.276 127.683 -6.407 1
1 640 . 12 1 1 A 61 61 ARG H H 61 8.941 8.880 0.061 1
1 641 . 12 1 1 A 61 61 ARG HA H 61 5.053 5.035 0.018 1
1 648 . 12 1 1 A 61 61 ARG C C 61 175.460 174.813 0.647 1
1 649 . 12 1 1 A 61 61 ARG CA C 61 54.166 54.269 -0.103 1
1 650 . 12 1 1 A 61 61 ARG CB C 61 34.000 33.913 0.087 1
1 653 . 12 1 1 A 61 61 ARG N N 61 121.101 123.552 -2.451 1
1 654 . 12 1 1 A 62 62 VAL H H 62 8.627 8.497 0.130 1
1 655 . 12 1 1 A 62 62 VAL HA H 62 4.195 4.551 -0.356 1
1 663 . 12 1 1 A 62 62 VAL C C 62 175.216 175.627 -0.411 1
1 664 . 12 1 1 A 62 62 VAL CA C 62 62.926 61.560 1.366 1
1 665 . 12 1 1 A 62 62 VAL CB C 62 33.459 33.014 0.445 1
1 668 . 12 1 1 A 62 62 VAL N N 62 118.451 118.353 0.098 1
1 669 . 12 1 1 A 63 63 GLN H H 63 7.628 8.751 -1.123 1
1 670 . 12 1 1 A 63 63 GLN HA H 63 4.575 4.721 -0.146 1
1 677 . 12 1 1 A 63 63 GLN C C 63 174.418 177.222 -2.804 1
1 678 . 12 1 1 A 63 63 GLN CA C 63 55.451 54.260 1.191 1
1 679 . 12 1 1 A 63 63 GLN CB C 63 32.062 31.106 0.956 1
1 681 . 12 1 1 A 63 63 GLN N N 63 123.160 123.390 -0.230 1
1 683 . 12 1 1 A 64 64 GLY H H 64 8.678 8.848 -0.170 1
1 684 . 12 1 1 A 64 64 GLY HA2 H 64 4.025 3.854 0.171 1
1 685 . 12 1 1 A 64 64 GLY HA3 H 64 3.895 3.857 0.038 1
1 686 . 12 1 1 A 64 64 GLY C C 64 174.592 175.129 -0.537 1
1 687 . 12 1 1 A 64 64 GLY CA C 64 45.531 47.501 -1.970 1
1 688 . 12 1 1 A 64 64 GLY N N 64 112.406 110.864 1.542 1
1 689 . 12 1 1 A 65 65 ASP HA H 65 4.625 4.613 0.012 1
1 692 . 12 1 1 A 65 65 ASP C C 65 176.902 176.635 0.267 1
1 693 . 12 1 1 A 65 65 ASP CA C 65 55.486 53.856 1.630 1
1 694 . 12 1 1 A 65 65 ASP CB C 65 40.817 41.830 -1.013 1
1 695 . 12 1 1 A 66 66 ASN H H 66 7.979 8.814 -0.835 1
1 696 . 12 1 1 A 66 66 ASN HA H 66 4.554 4.840 -0.286 1
1 701 . 12 1 1 A 66 66 ASN C C 66 174.456 173.628 0.828 1
1 702 . 12 1 1 A 66 66 ASN CA C 66 52.795 52.944 -0.149 1
1 703 . 12 1 1 A 66 66 ASN CB C 66 37.981 36.465 1.516 1
1 704 . 12 1 1 A 66 66 ASN N N 66 112.071 119.837 -7.766 1
1 706 . 12 1 1 A 67 67 LYS H H 67 7.476 8.095 -0.619 1
1 707 . 12 1 1 A 67 67 LYS HA H 67 5.914 5.084 0.830 1
1 716 . 12 1 1 A 67 67 LYS C C 67 177.922 175.240 2.682 1
1 717 . 12 1 1 A 67 67 LYS CA C 67 54.906 54.558 0.348 1
1 718 . 12 1 1 A 67 67 LYS CB C 67 36.707 37.333 -0.626 1
1 722 . 12 1 1 A 67 67 LYS N N 67 115.613 117.761 -2.148 1
1 723 . 12 1 1 A 68 68 PHE H H 68 9.227 8.391 0.836 1
1 724 . 12 1 1 A 68 68 PHE HA H 68 5.296 5.650 -0.354 1
1 732 . 12 1 1 A 68 68 PHE C C 68 171.230 172.195 -0.965 1
1 733 . 12 1 1 A 68 68 PHE CA C 68 56.576 55.167 1.409 1
1 734 . 12 1 1 A 68 68 PHE CB C 68 42.790 42.762 0.028 1
1 740 . 12 1 1 A 68 68 PHE N N 68 117.009 117.172 -0.163 1
1 741 . 12 1 1 A 69 69 GLU H H 69 9.527 9.439 0.088 1
1 742 . 12 1 1 A 69 69 GLU HA H 69 5.434 4.977 0.457 1
1 747 . 12 1 1 A 69 69 GLU C C 69 175.659 175.330 0.329 1
1 748 . 12 1 1 A 69 69 GLU CA C 69 53.429 55.215 -1.786 1
1 749 . 12 1 1 A 69 69 GLU CB C 69 33.460 31.998 1.462 1
1 751 . 12 1 1 A 69 69 GLU N N 69 119.470 120.696 -1.226 1
1 752 . 12 1 1 A 70 70 VAL H H 70 9.486 9.090 0.396 1
1 753 . 12 1 1 A 70 70 VAL HA H 70 4.486 4.705 -0.219 1
1 761 . 12 1 1 A 70 70 VAL C C 70 174.403 175.392 -0.989 1
1 762 . 12 1 1 A 70 70 VAL CA C 70 62.240 61.490 0.750 1
1 763 . 12 1 1 A 70 70 VAL CB C 70 33.706 33.023 0.683 1
1 766 . 12 1 1 A 70 70 VAL N N 70 123.935 125.915 -1.980 1
1 767 . 12 1 1 A 71 71 VAL H H 71 8.658 8.659 -0.001 1
1 768 . 12 1 1 A 71 71 VAL HA H 71 4.345 4.145 0.200 1
1 776 . 12 1 1 A 71 71 VAL C C 71 175.524 175.597 -0.073 1
1 777 . 12 1 1 A 71 71 VAL CA C 71 63.365 63.315 0.050 1
1 778 . 12 1 1 A 71 71 VAL CB C 71 32.802 31.192 1.610 1
1 781 . 12 1 1 A 71 71 VAL N N 71 129.195 128.182 1.013 1
1 782 . 12 1 1 A 72 72 THR H H 72 8.134 8.116 0.018 1
1 783 . 12 1 1 A 72 72 THR HA H 72 5.515 5.313 0.202 1
1 788 . 12 1 1 A 72 72 THR C C 72 174.609 175.160 -0.551 1
1 789 . 12 1 1 A 72 72 THR CA C 72 59.496 59.898 -0.402 1
1 790 . 12 1 1 A 72 72 THR CB C 72 72.139 71.796 0.343 1
1 792 . 12 1 1 A 72 72 THR N N 72 117.639 117.299 0.340 1
1 793 . 12 1 1 A 73 73 THR H H 73 8.944 8.614 0.330 1
1 794 . 12 1 1 A 73 73 THR HA H 73 3.966 4.124 -0.158 1
1 799 . 12 1 1 A 73 73 THR C C 73 175.783 175.960 -0.177 1
1 800 . 12 1 1 A 73 73 THR CA C 73 65.880 64.284 1.596 1
1 801 . 12 1 1 A 73 73 THR CB C 73 68.604 69.439 -0.835 1
1 803 . 12 1 1 A 73 73 THR N N 73 114.027 116.543 -2.516 1
1 804 . 12 1 1 A 74 74 GLN H H 74 7.997 7.738 0.259 1
1 805 . 12 1 1 A 74 74 GLN HA H 74 4.350 4.365 -0.015 1
1 812 . 12 1 1 A 74 74 GLN C C 74 175.698 176.060 -0.362 1
1 813 . 12 1 1 A 74 74 GLN CA C 74 56.910 57.512 -0.602 1
1 814 . 12 1 1 A 74 74 GLN CB C 74 30.624 29.784 0.840 1
1 816 . 12 1 1 A 74 74 GLN N N 74 115.670 118.020 -2.350 1
1 818 . 12 1 1 A 75 75 ARG H H 75 7.366 7.096 0.270 1
1 819 . 12 1 1 A 75 75 ARG HA H 75 4.395 4.470 -0.075 1
1 826 . 12 1 1 A 75 75 ARG C C 75 174.546 174.607 -0.061 1
1 827 . 12 1 1 A 75 75 ARG CA C 75 55.802 54.659 1.143 1
1 828 . 12 1 1 A 75 75 ARG CB C 75 32.514 33.443 -0.929 1
1 831 . 12 1 1 A 75 75 ARG N N 75 115.650 113.152 2.498 1
1 832 . 12 1 1 A 76 76 THR H H 76 8.679 8.486 0.193 1
1 833 . 12 1 1 A 76 76 THR HA H 76 5.065 4.059 1.006 1
1 838 . 12 1 1 A 76 76 THR C C 76 173.239 174.121 -0.882 1
1 839 . 12 1 1 A 76 76 THR CA C 76 61.888 63.787 -1.899 1
1 840 . 12 1 1 A 76 76 THR CB C 76 69.878 69.505 0.373 1
1 842 . 12 1 1 A 76 76 THR N N 76 120.285 118.710 1.575 1
1 843 . 12 1 1 A 77 77 PHE H H 77 9.156 9.179 -0.023 1
1 844 . 12 1 1 A 77 77 PHE HA H 77 4.385 4.994 -0.609 1
1 852 . 12 1 1 A 77 77 PHE C C 77 174.028 174.447 -0.419 1
1 853 . 12 1 1 A 77 77 PHE CA C 77 56.822 56.161 0.661 1
1 854 . 12 1 1 A 77 77 PHE CB C 77 41.640 42.072 -0.432 1
1 860 . 12 1 1 A 77 77 PHE N N 77 127.212 125.424 1.788 1
1 861 . 12 1 1 A 78 78 VAL H H 78 8.374 8.752 -0.378 1
1 862 . 12 1 1 A 78 78 VAL HA H 78 4.506 4.436 0.070 1
1 870 . 12 1 1 A 78 78 VAL C C 78 173.264 174.859 -1.595 1
1 871 . 12 1 1 A 78 78 VAL CA C 78 61.730 61.234 0.496 1
1 872 . 12 1 1 A 78 78 VAL CB C 78 33.254 33.004 0.250 1
1 875 . 12 1 1 A 78 78 VAL N N 78 123.393 120.918 2.475 1
1 876 . 12 1 1 A 79 79 PHE H H 79 8.458 7.797 0.661 1
1 877 . 12 1 1 A 79 79 PHE HA H 79 5.403 4.761 0.642 1
1 885 . 12 1 1 A 79 79 PHE C C 79 173.855 174.077 -0.222 1
1 886 . 12 1 1 A 79 79 PHE CA C 79 55.151 56.471 -1.320 1
1 887 . 12 1 1 A 79 79 PHE CB C 79 42.913 41.010 1.903 1
1 893 . 12 1 1 A 79 79 PHE N N 79 123.801 125.605 -1.804 1
1 894 . 12 1 1 A 80 80 ARG H H 80 9.407 8.461 0.946 1
1 895 . 12 1 1 A 80 80 ARG HA H 80 5.134 5.017 0.117 1
1 902 . 12 1 1 A 80 80 ARG C C 80 174.634 175.251 -0.617 1
1 903 . 12 1 1 A 80 80 ARG CA C 80 54.431 53.947 0.484 1
1 904 . 12 1 1 A 80 80 ARG CB C 80 35.227 33.771 1.456 1
1 907 . 12 1 1 A 80 80 ARG N N 80 121.570 122.316 -0.746 1
1 908 . 12 1 1 A 81 81 VAL H H 81 8.544 8.426 0.118 1
1 909 . 12 1 1 A 81 81 VAL HA H 81 4.708 4.934 -0.226 1
1 917 . 12 1 1 A 81 81 VAL C C 81 175.050 175.701 -0.651 1
1 918 . 12 1 1 A 81 81 VAL CA C 81 59.602 59.479 0.123 1
1 919 . 12 1 1 A 81 81 VAL CB C 81 33.706 34.477 -0.771 1
1 922 . 12 1 1 A 81 81 VAL N N 81 122.128 120.471 1.657 1
1 923 . 12 1 1 A 82 82 GLU H H 82 8.549 9.169 -0.620 1
1 924 . 12 1 1 A 82 82 GLU HA H 82 4.132 4.373 -0.241 1
1 929 . 12 1 1 A 82 82 GLU C C 82 176.909 175.640 1.269 1
1 930 . 12 1 1 A 82 82 GLU CA C 82 58.973 57.391 1.582 1
1 931 . 12 1 1 A 82 82 GLU CB C 82 30.582 31.468 -0.886 1
1 933 . 12 1 1 A 82 82 GLU N N 82 121.776 121.631 0.145 1
1 934 . 12 1 1 A 83 83 LYS H H 83 7.618 7.626 -0.008 1
1 935 . 12 1 1 A 83 83 LYS HA H 83 4.708 4.675 0.033 1
1 944 . 12 1 1 A 83 83 LYS C C 83 176.665 176.426 0.239 1
1 945 . 12 1 1 A 83 83 LYS CA C 83 54.694 54.743 -0.049 1
1 946 . 12 1 1 A 83 83 LYS CB C 83 34.775 35.584 -0.809 1
1 950 . 12 1 1 A 83 83 LYS N N 83 115.778 117.659 -1.881 1
1 951 . 12 1 1 A 84 84 GLU H H 84 9.150 8.941 0.209 1
1 952 . 12 1 1 A 84 84 GLU HA H 84 3.953 3.882 0.071 1
1 957 . 12 1 1 A 84 84 GLU C C 84 178.243 178.136 0.107 1
1 958 . 12 1 1 A 84 84 GLU CA C 84 60.217 60.372 -0.155 1
1 959 . 12 1 1 A 84 84 GLU CB C 84 29.843 29.564 0.279 1
1 961 . 12 1 1 A 84 84 GLU N N 84 127.798 124.887 2.911 1
1 962 . 12 1 1 A 85 85 GLU H H 85 9.626 8.353 1.273 1
1 963 . 12 1 1 A 85 85 GLU HA H 85 4.100 4.030 0.070 1
1 968 . 12 1 1 A 85 85 GLU C C 85 178.948 179.426 -0.478 1
1 969 . 12 1 1 A 85 85 GLU CA C 85 59.847 59.124 0.723 1
1 970 . 12 1 1 A 85 85 GLU CB C 85 28.897 29.322 -0.425 1
1 972 . 12 1 1 A 85 85 GLU N N 85 117.844 118.857 -1.013 1
1 973 . 12 1 1 A 86 86 GLU H H 86 7.257 8.472 -1.215 1
1 974 . 12 1 1 A 86 86 GLU HA H 86 4.365 3.963 0.402 1
1 979 . 12 1 1 A 86 86 GLU C C 86 178.607 179.255 -0.648 1
1 980 . 12 1 1 A 86 86 GLU CA C 86 58.089 59.593 -1.504 1
1 981 . 12 1 1 A 86 86 GLU CB C 86 30.212 29.455 0.757 1
1 983 . 12 1 1 A 86 86 GLU N N 86 118.075 120.126 -2.051 1
1 984 . 12 1 1 A 87 87 ARG H H 87 7.919 7.652 0.267 1
1 985 . 12 1 1 A 87 87 ARG HA H 87 3.838 4.097 -0.259 1
1 992 . 12 1 1 A 87 87 ARG C C 87 177.977 178.990 -1.013 1
1 993 . 12 1 1 A 87 87 ARG CA C 87 60.815 59.392 1.423 1
1 994 . 12 1 1 A 87 87 ARG CB C 87 28.856 29.967 -1.111 1
1 997 . 12 1 1 A 87 87 ARG N N 87 121.287 121.001 0.286 1
1 998 . 12 1 1 A 88 88 ASN H H 88 8.421 7.921 0.500 1
1 999 . 12 1 1 A 88 88 ASN HA H 88 4.295 4.504 -0.209 1
1 1004 . 12 1 1 A 88 88 ASN C C 88 177.423 177.391 0.032 1
1 1005 . 12 1 1 A 88 88 ASN CA C 88 55.627 56.255 -0.628 1
1 1006 . 12 1 1 A 88 88 ASN CB C 88 37.136 37.830 -0.694 1
1 1007 . 12 1 1 A 88 88 ASN N N 88 116.926 117.519 -0.593 1
1 1009 . 12 1 1 A 89 89 ASP H H 89 7.790 8.032 -0.242 1
1 1010 . 12 1 1 A 89 89 ASP HA H 89 4.389 4.206 0.183 1
1 1013 . 12 1 1 A 89 89 ASP C C 89 177.683 178.209 -0.526 1
1 1014 . 12 1 1 A 89 89 ASP CA C 89 57.737 57.131 0.606 1
1 1015 . 12 1 1 A 89 89 ASP CB C 89 41.352 40.816 0.536 1
1 1016 . 12 1 1 A 89 89 ASP N N 89 121.867 118.445 3.422 1
1 1017 . 12 1 1 A 90 90 TRP H H 90 7.690 8.105 -0.415 1
1 1018 . 12 1 1 A 90 90 TRP HA H 90 3.666 4.153 -0.487 1
1 1027 . 12 1 1 A 90 90 TRP C C 90 177.880 178.302 -0.422 1
1 1028 . 12 1 1 A 90 90 TRP CA C 90 61.704 59.992 1.712 1
1 1029 . 12 1 1 A 90 90 TRP CB C 90 29.594 29.114 0.480 1
1 1035 . 12 1 1 A 90 90 TRP N N 90 117.617 119.374 -1.757 1
1 1037 . 12 1 1 A 91 91 ILE H H 91 7.654 7.723 -0.069 1
1 1038 . 12 1 1 A 91 91 ILE HA H 91 3.275 3.554 -0.279 1
1 1048 . 12 1 1 A 91 91 ILE C C 91 177.138 177.843 -0.705 1
1 1049 . 12 1 1 A 91 91 ILE CA C 91 65.001 65.030 -0.029 1
1 1050 . 12 1 1 A 91 91 ILE CB C 91 36.913 37.609 -0.696 1
1 1054 . 12 1 1 A 91 91 ILE N N 91 114.248 120.074 -5.826 1
1 1055 . 12 1 1 A 92 92 SER H H 92 8.055 8.289 -0.234 1
1 1056 . 12 1 1 A 92 92 SER HA H 92 4.045 4.062 -0.017 1
1 1059 . 12 1 1 A 92 92 SER C C 92 177.204 176.333 0.871 1
1 1060 . 12 1 1 A 92 92 SER CA C 92 61.923 62.078 -0.155 1
1 1061 . 12 1 1 A 92 92 SER CB C 92 62.767 62.534 0.233 1
1 1062 . 12 1 1 A 92 92 SER N N 92 114.018 115.021 -1.003 1
1 1063 . 12 1 1 A 93 93 ILE H H 93 7.926 7.827 0.099 1
1 1064 . 12 1 1 A 93 93 ILE HA H 93 3.795 3.688 0.107 1
1 1074 . 12 1 1 A 93 93 ILE C C 93 178.947 178.476 0.471 1
1 1075 . 12 1 1 A 93 93 ILE CA C 93 64.825 65.331 -0.506 1
1 1076 . 12 1 1 A 93 93 ILE CB C 93 37.693 37.959 -0.266 1
1 1080 . 12 1 1 A 93 93 ILE N N 93 120.974 121.924 -0.950 1
1 1081 . 12 1 1 A 94 94 LEU H H 94 7.678 7.861 -0.183 1
1 1082 . 12 1 1 A 94 94 LEU HA H 94 3.634 3.792 -0.158 1
1 1092 . 12 1 1 A 94 94 LEU C C 94 178.551 179.100 -0.549 1
1 1093 . 12 1 1 A 94 94 LEU CA C 94 57.861 57.934 -0.073 1
1 1094 . 12 1 1 A 94 94 LEU CB C 94 42.356 41.839 0.517 1
1 1098 . 12 1 1 A 94 94 LEU N N 94 121.223 118.944 2.279 1
1 1099 . 12 1 1 A 95 95 LEU H H 95 8.954 8.463 0.491 1
1 1100 . 12 1 1 A 95 95 LEU HA H 95 4.037 3.859 0.178 1
1 1110 . 12 1 1 A 95 95 LEU C C 95 180.858 179.194 1.664 1
1 1111 . 12 1 1 A 95 95 LEU CA C 95 58.194 58.071 0.123 1
1 1112 . 12 1 1 A 95 95 LEU CB C 95 41.286 41.408 -0.122 1
1 1116 . 12 1 1 A 95 95 LEU N N 95 118.177 118.260 -0.083 1
1 1117 . 12 1 1 A 96 96 ASN H H 96 8.235 8.597 -0.362 1
1 1118 . 12 1 1 A 96 96 ASN HA H 96 4.445 4.536 -0.091 1
1 1123 . 12 1 1 A 96 96 ASN C C 96 177.901 177.430 0.471 1
1 1124 . 12 1 1 A 96 96 ASN CA C 96 56.347 57.243 -0.896 1
1 1125 . 12 1 1 A 96 96 ASN CB C 96 38.105 39.090 -0.985 1
1 1126 . 12 1 1 A 96 96 ASN N N 96 117.502 117.163 0.339 1
1 1128 . 12 1 1 A 97 97 ALA H H 97 7.756 7.899 -0.143 1
1 1129 . 12 1 1 A 97 97 ALA HA H 97 4.305 4.222 0.083 1
1 1133 . 12 1 1 A 97 97 ALA C C 97 180.315 180.272 0.043 1
1 1134 . 12 1 1 A 97 97 ALA CA C 97 54.906 54.865 0.041 1
1 1135 . 12 1 1 A 97 97 ALA CB C 97 19.214 18.443 0.771 1
1 1136 . 12 1 1 A 97 97 ALA N N 97 123.457 121.574 1.883 1
1 1137 . 12 1 1 A 98 98 LEU H H 98 8.335 8.164 0.171 1
1 1138 . 12 1 1 A 98 98 LEU HA H 98 4.055 4.073 -0.018 1
1 1148 . 12 1 1 A 98 98 LEU C C 98 179.542 179.272 0.270 1
1 1149 . 12 1 1 A 98 98 LEU CA C 98 57.578 57.663 -0.085 1
1 1150 . 12 1 1 A 98 98 LEU CB C 98 42.174 41.441 0.733 1
1 1154 . 12 1 1 A 98 98 LEU N N 98 119.610 119.964 -0.354 1
1 1155 . 12 1 1 A 99 99 LYS H H 99 7.969 7.955 0.014 1
1 1156 . 12 1 1 A 99 99 LYS HA H 99 4.203 4.078 0.125 1
1 1165 . 12 1 1 A 99 99 LYS C C 99 178.392 179.137 -0.745 1
1 1166 . 12 1 1 A 99 99 LYS CA C 99 58.563 58.979 -0.416 1
1 1167 . 12 1 1 A 99 99 LYS CB C 99 32.267 31.744 0.523 1
1 1171 . 12 1 1 A 99 99 LYS N N 99 119.323 118.811 0.512 1
1 1172 . 12 1 1 A 100 100 SER H H 100 7.854 8.123 -0.269 1
1 1173 . 12 1 1 A 100 100 SER HA H 100 4.404 4.153 0.251 1
1 1176 . 12 1 1 A 100 100 SER C C 100 175.449 176.660 -1.211 1
1 1177 . 12 1 1 A 100 100 SER CA C 100 60.076 61.907 -1.831 1
1 1178 . 12 1 1 A 100 100 SER CB C 100 63.600 62.972 0.628 1
1 1179 . 12 1 1 A 100 100 SER N N 100 114.116 117.257 -3.141 1
1 1180 . 12 1 1 A 101 101 GLN H H 101 7.863 7.726 0.137 1
1 1181 . 12 1 1 A 101 101 GLN HA H 101 4.294 4.033 0.261 1
1 1188 . 12 1 1 A 101 101 GLN C C 101 176.613 178.223 -1.610 1
1 1189 . 12 1 1 A 101 101 GLN CA C 101 57.121 59.303 -2.182 1
1 1190 . 12 1 1 A 101 101 GLN CB C 101 29.761 28.203 1.558 1
1 1192 . 12 1 1 A 101 101 GLN N N 101 120.923 121.428 -0.505 1
1 1194 . 12 1 1 A 102 102 SER H H 102 8.170 7.739 0.431 1
1 1195 . 12 1 1 A 102 102 SER HA H 102 4.445 4.254 0.191 1
1 1198 . 12 1 1 A 102 102 SER C C 102 175.030 175.018 0.012 1
1 1199 . 12 1 1 A 102 102 SER CA C 102 59.162 61.583 -2.421 1
1 1200 . 12 1 1 A 102 102 SER CB C 102 63.466 62.987 0.479 1
1 1201 . 12 1 1 A 102 102 SER N N 102 115.689 115.548 0.141 1
1 1202 . 12 1 1 A 103 103 LEU H H 103 8.111 7.328 0.783 1
1 1203 . 12 1 1 A 103 103 LEU HA H 103 4.400 4.257 0.143 1
1 1213 . 12 1 1 A 103 103 LEU C C 103 178.263 177.671 0.592 1
1 1214 . 12 1 1 A 103 103 LEU CA C 103 55.908 55.828 0.080 1
1 1215 . 12 1 1 A 103 103 LEU CB C 103 42.215 42.193 0.022 1
1 1219 . 12 1 1 A 103 103 LEU N N 103 123.252 121.427 1.825 1
1 1220 . 12 1 1 A 104 104 THR H H 104 8.064 8.932 -0.868 1
1 1221 . 12 1 1 A 104 104 THR HA H 104 4.354 3.979 0.375 1
1 1226 . 12 1 1 A 104 104 THR C C 104 175.092 174.356 0.736 1
1 1227 . 12 1 1 A 104 104 THR CA C 104 62.368 62.873 -0.505 1
1 1228 . 12 1 1 A 104 104 THR CB C 104 69.673 67.259 2.414 1
1 1230 . 12 1 1 A 104 104 THR N N 104 113.441 118.078 -4.637 1
1 1231 . 12 1 1 A 105 105 SER H H 105 8.231 7.721 0.510 1
1 1232 . 12 1 1 A 105 105 SER C C 105 177.959 174.339 3.620 1
1 1233 . 12 1 1 A 105 105 SER CA C 105 58.406 59.243 -0.837 1
1 1234 . 12 1 1 A 105 105 SER CB C 105 63.507 63.465 0.042 1
1 1235 . 12 1 1 A 105 105 SER N N 105 117.638 116.333 1.305 1
1 1236 . 12 1 1 A 106 106 GLN HA H 106 4.365 5.013 -0.648 1
1 1239 . 12 1 1 A 106 106 GLN C C 106 176.322 173.727 2.595 1
1 1240 . 12 1 1 A 106 106 GLN CA C 106 56.189 54.696 1.493 1
1 1241 . 12 1 1 A 106 106 GLN CB C 106 29.226 32.245 -3.019 1
1 1243 . 12 1 1 A 107 107 SER H H 107 8.287 8.941 -0.654 1
1 1244 . 12 1 1 A 107 107 SER HA H 107 4.404 5.390 -0.986 1
1 1246 . 12 1 1 A 107 107 SER C C 107 174.687 173.163 1.524 1
1 1247 . 12 1 1 A 107 107 SER CA C 107 58.722 56.567 2.155 1
1 1248 . 12 1 1 A 107 107 SER CB C 107 63.713 65.124 -1.411 1
1 1249 . 12 1 1 A 107 107 SER N N 107 116.578 114.633 1.945 1
1 1250 . 12 1 1 A 108 108 GLN H H 108 8.354 8.739 -0.385 1
1 1251 . 12 1 1 A 108 108 GLN HA H 108 4.349 5.064 -0.715 1
1 1258 . 12 1 1 A 108 108 GLN C C 108 175.798 173.721 2.077 1
1 1259 . 12 1 1 A 108 108 GLN CA C 108 55.820 54.878 0.942 1
1 1260 . 12 1 1 A 108 108 GLN CB C 108 29.432 32.583 -3.151 1
1 1262 . 12 1 1 A 108 108 GLN N N 108 122.015 124.973 -2.958 1
1 1264 . 12 1 1 A 109 109 ALA H H 109 8.301 8.742 -0.441 1
1 1265 . 12 1 1 A 109 109 ALA HA H 109 4.345 5.187 -0.842 1
1 1269 . 12 1 1 A 109 109 ALA C C 109 177.749 176.297 1.452 1
1 1270 . 12 1 1 A 109 109 ALA CA C 109 52.672 50.714 1.958 1
1 1271 . 12 1 1 A 109 109 ALA CB C 109 19.237 21.829 -2.592 1
1 1272 . 12 1 1 A 109 109 ALA N N 109 125.243 127.483 -2.240 1
1 1273 . 12 1 1 A 110 110 SER H H 110 8.290 8.936 -0.646 1
1 1274 . 12 1 1 A 110 110 SER HA H 110 4.459 5.175 -0.716 1
1 1277 . 12 1 1 A 110 110 SER C C 110 174.593 174.561 0.032 1
1 1278 . 12 1 1 A 110 110 SER CA C 110 58.248 56.566 1.682 1
1 1279 . 12 1 1 A 110 110 SER CB C 110 63.918 65.350 -1.432 1
1 1280 . 12 1 1 A 110 110 SER N N 110 115.148 116.841 -1.693 1
1 1281 . 12 1 1 A 111 111 GLY H H 111 8.199 8.819 -0.620 1
1 1282 . 12 1 1 A 111 111 GLY HA2 H 111 4.167 4.058 0.109 1
1 1283 . 12 1 1 A 111 111 GLY HA3 H 111 4.094 4.060 0.034 1
1 1284 . 12 1 1 A 111 111 GLY C C 111 171.782 173.545 -1.763 1
1 1285 . 12 1 1 A 111 111 GLY CA C 111 44.652 45.253 -0.601 1
1 1286 . 12 1 1 A 111 111 GLY N N 111 110.586 108.557 2.029 1
1 1287 . 12 1 1 A 112 112 PRO HA H 112 4.471 4.604 -0.133 1
1 1294 . 12 1 1 A 112 112 PRO CA C 112 63.154 62.437 0.717 1
1 1295 . 12 1 1 A 112 112 PRO CB C 112 32.314 33.054 -0.740 1
1 1 . 13 1 1 A 7 7 GLY H H 7 9.055 8.365 0.690 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.908 4.139 -0.231 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 3.968 4.157 -0.189 1
1 4 . 13 1 1 A 7 7 GLY C C 7 173.671 173.646 0.025 1
1 5 . 13 1 1 A 7 7 GLY CA C 7 45.421 44.601 0.820 1
1 6 . 13 1 1 A 8 8 LYS H H 8 8.145 8.633 -0.488 1
1 7 . 13 1 1 A 8 8 LYS HA H 8 4.345 4.438 -0.093 1
1 16 . 13 1 1 A 8 8 LYS C C 8 175.255 176.422 -1.167 1
1 17 . 13 1 1 A 8 8 LYS CA C 8 56.330 56.544 -0.214 1
1 18 . 13 1 1 A 8 8 LYS CB C 8 33.583 33.372 0.211 1
1 22 . 13 1 1 A 8 8 LYS N N 8 120.101 121.651 -1.550 1
1 23 . 13 1 1 A 9 9 VAL H H 9 7.579 7.463 0.116 1
1 24 . 13 1 1 A 9 9 VAL HA H 9 4.473 5.081 -0.608 1
1 32 . 13 1 1 A 9 9 VAL C C 9 174.860 174.239 0.621 1
1 33 . 13 1 1 A 9 9 VAL CA C 9 59.989 58.581 1.408 1
1 34 . 13 1 1 A 9 9 VAL CB C 9 34.218 36.526 -2.308 1
1 37 . 13 1 1 A 9 9 VAL N N 9 114.437 117.263 -2.826 1
1 38 . 13 1 1 A 10 10 LYS H H 10 8.236 8.674 -0.438 1
1 39 . 13 1 1 A 10 10 LYS HA H 10 4.345 4.531 -0.186 1
1 48 . 13 1 1 A 10 10 LYS C C 10 172.963 174.241 -1.278 1
1 49 . 13 1 1 A 10 10 LYS CA C 10 56.096 55.680 0.416 1
1 50 . 13 1 1 A 10 10 LYS CB C 10 36.131 35.738 0.393 1
1 54 . 13 1 1 A 10 10 LYS N N 10 122.938 121.883 1.055 1
1 55 . 13 1 1 A 11 11 SER H H 11 8.168 8.627 -0.459 1
1 56 . 13 1 1 A 11 11 SER HA H 11 5.669 5.298 0.371 1
1 59 . 13 1 1 A 11 11 SER C C 11 173.281 173.049 0.232 1
1 60 . 13 1 1 A 11 11 SER CA C 11 55.960 57.186 -1.226 1
1 61 . 13 1 1 A 11 11 SER CB C 11 66.326 65.783 0.543 1
1 62 . 13 1 1 A 11 11 SER N N 11 119.068 118.625 0.443 1
1 63 . 13 1 1 A 12 12 GLY H H 12 8.248 7.488 0.760 1
1 64 . 13 1 1 A 12 12 GLY HA2 H 12 4.168 4.172 -0.004 1
1 65 . 13 1 1 A 12 12 GLY HA3 H 12 3.478 4.253 -0.775 1
1 66 . 13 1 1 A 12 12 GLY C C 12 170.778 171.541 -0.763 1
1 67 . 13 1 1 A 12 12 GLY CA C 12 45.654 45.365 0.289 1
1 68 . 13 1 1 A 12 12 GLY N N 12 108.756 108.773 -0.017 1
1 69 . 13 1 1 A 13 13 TRP H H 13 8.622 8.857 -0.235 1
1 70 . 13 1 1 A 13 13 TRP HA H 13 5.398 4.921 0.477 1
1 79 . 13 1 1 A 13 13 TRP C C 13 177.511 176.043 1.468 1
1 80 . 13 1 1 A 13 13 TRP CA C 13 57.069 58.753 -1.684 1
1 81 . 13 1 1 A 13 13 TRP CB C 13 30.295 29.552 0.743 1
1 87 . 13 1 1 A 13 13 TRP N N 13 119.518 121.268 -1.750 1
1 89 . 13 1 1 A 14 14 LEU H H 14 9.524 8.663 0.861 1
1 90 . 13 1 1 A 14 14 LEU HA H 14 4.791 5.058 -0.267 1
1 100 . 13 1 1 A 14 14 LEU C C 14 175.381 175.915 -0.534 1
1 101 . 13 1 1 A 14 14 LEU CA C 14 54.096 53.215 0.881 1
1 102 . 13 1 1 A 14 14 LEU CB C 14 47.682 43.289 4.393 1
1 106 . 13 1 1 A 14 14 LEU N N 14 124.165 125.802 -1.637 1
1 107 . 13 1 1 A 15 15 ASP H H 15 8.335 8.616 -0.281 1
1 108 . 13 1 1 A 15 15 ASP HA H 15 5.424 5.229 0.195 1
1 111 . 13 1 1 A 15 15 ASP C C 15 175.302 175.244 0.058 1
1 112 . 13 1 1 A 15 15 ASP CA C 15 53.252 54.199 -0.947 1
1 113 . 13 1 1 A 15 15 ASP CB C 15 42.420 41.352 1.068 1
1 114 . 13 1 1 A 15 15 ASP N N 15 120.275 125.516 -5.241 1
1 115 . 13 1 1 A 16 16 LYS H H 16 9.444 8.553 0.891 1
1 116 . 13 1 1 A 16 16 LYS HA H 16 4.781 4.906 -0.125 1
1 125 . 13 1 1 A 16 16 LYS C C 16 176.244 175.370 0.874 1
1 126 . 13 1 1 A 16 16 LYS CA C 16 54.782 54.864 -0.082 1
1 127 . 13 1 1 A 16 16 LYS CB C 16 36.666 35.325 1.341 1
1 131 . 13 1 1 A 16 16 LYS N N 16 125.854 125.968 -0.114 1
1 132 . 13 1 1 A 17 17 LEU H H 17 8.387 8.656 -0.269 1
1 133 . 13 1 1 A 17 17 LEU HA H 17 3.476 4.313 -0.837 1
1 143 . 13 1 1 A 17 17 LEU C C 17 175.840 176.816 -0.976 1
1 144 . 13 1 1 A 17 17 LEU CA C 17 55.715 53.607 2.108 1
1 145 . 13 1 1 A 17 17 LEU CB C 17 41.986 40.496 1.490 1
1 149 . 13 1 1 A 17 17 LEU N N 17 130.736 127.605 3.131 1
1 150 . 13 1 1 A 18 18 SER H H 18 8.378 8.252 0.126 1
1 151 . 13 1 1 A 18 18 SER HA H 18 4.563 4.231 0.332 1
1 154 . 13 1 1 A 18 18 SER C C 18 172.291 174.945 -2.654 1
1 155 . 13 1 1 A 18 18 SER CA C 18 55.697 63.347 -7.650 1
1 156 . 13 1 1 A 18 18 SER CB C 18 62.885 61.977 0.908 1
1 157 . 13 1 1 A 18 18 SER N N 18 123.037 120.788 2.249 1
1 158 . 13 1 1 A 19 19 PRO HA H 19 4.414 4.460 -0.046 1
1 165 . 13 1 1 A 19 19 PRO CA C 19 63.946 62.280 1.666 1
1 166 . 13 1 1 A 19 19 PRO CB C 19 32.128 33.226 -1.098 1
1 169 . 13 1 1 A 20 20 GLN H H 20 8.085 8.414 -0.329 1
1 170 . 13 1 1 A 20 20 GLN HA H 20 4.353 4.438 -0.085 1
1 175 . 13 1 1 A 20 20 GLN CA C 20 55.533 54.895 0.638 1
1 176 . 13 1 1 A 20 20 GLN CB C 20 30.130 28.604 1.526 1
1 178 . 13 1 1 A 20 20 GLN N N 20 119.721 120.527 -0.806 1
1 179 . 13 1 1 A 22 22 LYS H H 22 8.151 8.033 0.118 1
1 180 . 13 1 1 A 22 22 LYS HA H 22 4.165 4.395 -0.230 1
1 185 . 13 1 1 A 22 22 LYS C C 22 176.016 177.315 -1.299 1
1 186 . 13 1 1 A 22 22 LYS CA C 22 56.717 57.018 -0.301 1
1 187 . 13 1 1 A 22 22 LYS CB C 22 32.303 34.820 -2.517 1
1 191 . 13 1 1 A 23 23 ARG H H 23 8.329 8.201 0.128 1
1 192 . 13 1 1 A 23 23 ARG HA H 23 3.937 4.348 -0.411 1
1 199 . 13 1 1 A 23 23 ARG C C 23 174.937 176.144 -1.207 1
1 200 . 13 1 1 A 23 23 ARG CA C 23 56.436 57.509 -1.073 1
1 201 . 13 1 1 A 23 23 ARG CB C 23 29.144 31.281 -2.137 1
1 204 . 13 1 1 A 23 23 ARG N N 23 119.006 116.608 2.398 1
1 205 . 13 1 1 A 24 24 MET H H 24 7.965 7.587 0.378 1
1 206 . 13 1 1 A 24 24 MET HA H 24 4.492 4.658 -0.166 1
1 209 . 13 1 1 A 24 24 MET C C 24 174.737 174.554 0.183 1
1 210 . 13 1 1 A 24 24 MET CA C 24 55.134 54.493 0.641 1
1 211 . 13 1 1 A 24 24 MET CB C 24 33.665 35.473 -1.808 1
1 213 . 13 1 1 A 24 24 MET N N 24 120.460 114.538 5.922 1
1 214 . 13 1 1 A 25 25 PHE H H 25 8.593 8.671 -0.078 1
1 215 . 13 1 1 A 25 25 PHE HA H 25 4.788 4.557 0.231 1
1 223 . 13 1 1 A 25 25 PHE C C 25 175.712 176.096 -0.384 1
1 224 . 13 1 1 A 25 25 PHE CA C 25 57.421 58.572 -1.151 1
1 225 . 13 1 1 A 25 25 PHE CB C 25 41.890 39.328 2.562 1
1 231 . 13 1 1 A 25 25 PHE N N 25 121.330 121.581 -0.251 1
1 232 . 13 1 1 A 26 26 GLN H H 26 8.758 8.721 0.037 1
1 233 . 13 1 1 A 26 26 GLN HA H 26 4.777 4.707 0.070 1
1 240 . 13 1 1 A 26 26 GLN C C 26 175.149 175.139 0.010 1
1 241 . 13 1 1 A 26 26 GLN CA C 26 53.991 55.011 -1.020 1
1 242 . 13 1 1 A 26 26 GLN CB C 26 32.144 30.507 1.637 1
1 244 . 13 1 1 A 26 26 GLN N N 26 119.081 121.103 -2.022 1
1 246 . 13 1 1 A 27 27 LYS H H 27 8.913 8.707 0.206 1
1 247 . 13 1 1 A 27 27 LYS HA H 27 4.933 4.916 0.017 1
1 256 . 13 1 1 A 27 27 LYS C C 27 177.786 175.127 2.659 1
1 257 . 13 1 1 A 27 27 LYS CA C 27 57.843 54.946 2.897 1
1 258 . 13 1 1 A 27 27 LYS CB C 27 32.720 33.434 -0.714 1
1 262 . 13 1 1 A 27 27 LYS N N 27 126.903 123.265 3.638 1
1 263 . 13 1 1 A 28 28 ARG H H 28 9.847 9.198 0.649 1
1 264 . 13 1 1 A 28 28 ARG HA H 28 5.236 5.113 0.123 1
1 271 . 13 1 1 A 28 28 ARG C C 28 173.319 175.311 -1.992 1
1 272 . 13 1 1 A 28 28 ARG CA C 28 53.481 54.626 -1.145 1
1 273 . 13 1 1 A 28 28 ARG CB C 28 34.405 33.236 1.169 1
1 276 . 13 1 1 A 28 28 ARG N N 28 127.032 126.142 0.890 1
1 277 . 13 1 1 A 29 29 TRP H H 29 8.408 9.183 -0.775 1
1 278 . 13 1 1 A 29 29 TRP HA H 29 4.424 4.644 -0.220 1
1 285 . 13 1 1 A 29 29 TRP C C 29 174.606 174.957 -0.351 1
1 286 . 13 1 1 A 29 29 TRP CA C 29 56.383 57.795 -1.412 1
1 287 . 13 1 1 A 29 29 TRP CB C 29 29.226 30.294 -1.068 1
1 292 . 13 1 1 A 29 29 TRP N N 29 124.511 125.284 -0.773 1
1 293 . 13 1 1 A 30 30 VAL H H 30 8.464 7.560 0.904 1
1 294 . 13 1 1 A 30 30 VAL HA H 30 4.736 4.586 0.150 1
1 302 . 13 1 1 A 30 30 VAL C C 30 172.903 174.093 -1.190 1
1 303 . 13 1 1 A 30 30 VAL CA C 30 61.219 59.454 1.765 1
1 304 . 13 1 1 A 30 30 VAL CB C 30 32.925 34.965 -2.040 1
1 307 . 13 1 1 A 30 30 VAL N N 30 129.572 126.256 3.316 1
1 308 . 13 1 1 A 31 31 LYS H H 31 9.125 8.338 0.787 1
1 309 . 13 1 1 A 31 31 LYS HA H 31 5.095 4.713 0.382 1
1 318 . 13 1 1 A 31 31 LYS C C 31 175.396 174.233 1.163 1
1 319 . 13 1 1 A 31 31 LYS CA C 31 54.677 55.543 -0.866 1
1 320 . 13 1 1 A 31 31 LYS CB C 31 37.036 36.508 0.528 1
1 324 . 13 1 1 A 31 31 LYS N N 31 124.358 125.668 -1.310 1
1 325 . 13 1 1 A 32 32 PHE H H 32 9.725 8.701 1.024 1
1 326 . 13 1 1 A 32 32 PHE HA H 32 5.905 5.240 0.665 1
1 334 . 13 1 1 A 32 32 PHE C C 32 174.555 174.271 0.284 1
1 335 . 13 1 1 A 32 32 PHE CA C 32 56.224 56.277 -0.053 1
1 336 . 13 1 1 A 32 32 PHE CB C 32 41.804 42.611 -0.807 1
1 342 . 13 1 1 A 32 32 PHE N N 32 125.979 127.519 -1.540 1
1 343 . 13 1 1 A 33 33 ASP H H 33 7.884 8.572 -0.688 1
1 344 . 13 1 1 A 33 33 ASP HA H 33 4.555 4.554 0.001 1
1 347 . 13 1 1 A 33 33 ASP C C 33 175.730 175.872 -0.142 1
1 348 . 13 1 1 A 33 33 ASP CA C 33 52.602 54.329 -1.727 1
1 349 . 13 1 1 A 33 33 ASP CB C 33 41.686 42.803 -1.117 1
1 350 . 13 1 1 A 33 33 ASP N N 33 126.924 125.468 1.456 1
1 351 . 13 1 1 A 34 34 GLY H H 34 4.680 6.823 -2.143 1
1 352 . 13 1 1 A 34 34 GLY HA2 H 34 4.252 3.371 0.881 1
1 353 . 13 1 1 A 34 34 GLY HA3 H 34 3.023 3.707 -0.684 1
1 354 . 13 1 1 A 34 34 GLY C C 34 172.363 174.991 -2.628 1
1 355 . 13 1 1 A 34 34 GLY CA C 34 45.672 44.820 0.852 1
1 356 . 13 1 1 A 35 35 LEU H H 35 8.148 7.800 0.348 1
1 357 . 13 1 1 A 35 35 LEU HA H 35 4.623 4.387 0.236 1
1 367 . 13 1 1 A 35 35 LEU C C 35 177.783 176.860 0.923 1
1 368 . 13 1 1 A 35 35 LEU CA C 35 55.978 55.830 0.148 1
1 369 . 13 1 1 A 35 35 LEU CB C 35 44.352 43.917 0.435 1
1 373 . 13 1 1 A 35 35 LEU N N 35 120.632 118.926 1.706 1
1 374 . 13 1 1 A 36 36 SER H H 36 9.064 7.916 1.148 1
1 375 . 13 1 1 A 36 36 SER HA H 36 5.059 5.240 -0.181 1
1 378 . 13 1 1 A 36 36 SER C C 36 173.878 172.543 1.335 1
1 379 . 13 1 1 A 36 36 SER CA C 36 57.667 57.341 0.326 1
1 380 . 13 1 1 A 36 36 SER CB C 36 66.140 66.343 -0.203 1
1 381 . 13 1 1 A 36 36 SER N N 36 115.030 109.862 5.168 1
1 382 . 13 1 1 A 37 37 ILE H H 37 8.981 9.389 -0.408 1
1 383 . 13 1 1 A 37 37 ILE HA H 37 5.055 5.034 0.021 1
1 393 . 13 1 1 A 37 37 ILE C C 37 174.995 175.029 -0.034 1
1 394 . 13 1 1 A 37 37 ILE CA C 37 61.061 60.653 0.408 1
1 395 . 13 1 1 A 37 37 ILE CB C 37 39.355 38.581 0.774 1
1 399 . 13 1 1 A 37 37 ILE N N 37 122.186 122.471 -0.285 1
1 400 . 13 1 1 A 38 38 SER H H 38 9.422 8.672 0.750 1
1 401 . 13 1 1 A 38 38 SER HA H 38 5.297 5.360 -0.063 1
1 404 . 13 1 1 A 38 38 SER C C 38 172.177 173.604 -1.427 1
1 405 . 13 1 1 A 38 38 SER CA C 38 56.910 57.143 -0.233 1
1 406 . 13 1 1 A 38 38 SER CB C 38 66.018 64.827 1.191 1
1 407 . 13 1 1 A 38 38 SER N N 38 122.548 123.160 -0.612 1
1 408 . 13 1 1 A 39 39 TYR H H 39 7.649 8.811 -1.162 1
1 409 . 13 1 1 A 39 39 TYR HA H 39 6.025 6.061 -0.036 1
1 416 . 13 1 1 A 39 39 TYR C C 39 173.937 173.817 0.120 1
1 417 . 13 1 1 A 39 39 TYR CA C 39 54.144 55.558 -1.414 1
1 418 . 13 1 1 A 39 39 TYR CB C 39 41.722 41.525 0.197 1
1 423 . 13 1 1 A 39 39 TYR N N 39 116.176 119.461 -3.285 1
1 424 . 13 1 1 A 40 40 TYR H H 40 9.647 8.477 1.170 1
1 425 . 13 1 1 A 40 40 TYR HA H 40 5.044 5.354 -0.310 1
1 432 . 13 1 1 A 40 40 TYR CA C 40 56.928 55.514 1.414 1
1 433 . 13 1 1 A 40 40 TYR CB C 40 43.678 41.018 2.660 1
1 438 . 13 1 1 A 40 40 TYR N N 40 118.964 118.851 0.113 1
1 439 . 13 1 1 A 41 41 ASN H H 41 7.712 8.961 -1.249 1
1 440 . 13 1 1 A 41 41 ASN HA H 41 4.867 5.122 -0.255 1
1 445 . 13 1 1 A 41 41 ASN CB C 41 39.279 38.786 0.493 1
1 446 . 13 1 1 A 41 41 ASN N N 41 109.731 117.939 -8.208 1
1 448 . 13 1 1 A 42 42 ASN H H 42 9.215 8.927 0.288 1
1 449 . 13 1 1 A 42 42 ASN HA H 42 4.868 4.250 0.618 1
1 452 . 13 1 1 A 42 42 ASN CA C 42 52.812 56.756 -3.944 1
1 453 . 13 1 1 A 42 42 ASN CB C 42 39.180 38.299 0.881 1
1 458 . 13 1 1 A 44 44 LYS CB C 44 35.364 31.851 3.513 1
1 460 . 13 1 1 A 46 46 MET H H 46 8.285 7.243 1.042 1
1 461 . 13 1 1 A 46 46 MET HA H 46 4.218 4.698 -0.480 1
1 466 . 13 1 1 A 46 46 MET CA C 46 56.523 54.801 1.722 1
1 467 . 13 1 1 A 46 46 MET CB C 46 33.665 34.196 -0.531 1
1 469 . 13 1 1 A 47 47 TYR H H 47 7.965 8.672 -0.707 1
1 470 . 13 1 1 A 47 47 TYR HA H 47 4.935 4.485 0.450 1
1 477 . 13 1 1 A 47 47 TYR CA C 47 55.861 58.167 -2.306 1
1 478 . 13 1 1 A 47 47 TYR CB C 47 38.476 38.706 -0.230 1
1 483 . 13 1 1 A 47 47 TYR N N 47 117.521 120.414 -2.893 1
1 484 . 13 1 1 A 49 49 LYS H H 49 8.704 8.611 0.093 1
1 485 . 13 1 1 A 49 49 LYS HA H 49 4.369 5.177 -0.808 1
1 494 . 13 1 1 A 49 49 LYS CA C 49 54.891 54.551 0.340 1
1 495 . 13 1 1 A 49 49 LYS CB C 49 32.501 35.754 -3.253 1
1 499 . 13 1 1 A 50 50 GLY H H 50 6.985 8.336 -1.351 1
1 500 . 13 1 1 A 50 50 GLY HA2 H 50 3.825 3.470 0.355 1
1 501 . 13 1 1 A 50 50 GLY HA3 H 50 3.265 4.159 -0.894 1
1 502 . 13 1 1 A 50 50 GLY C C 50 170.241 172.271 -2.030 1
1 503 . 13 1 1 A 50 50 GLY CA C 50 45.039 45.476 -0.437 1
1 504 . 13 1 1 A 50 50 GLY N N 50 108.097 110.194 -2.097 1
1 505 . 13 1 1 A 51 51 ILE H H 51 7.890 8.862 -0.972 1
1 506 . 13 1 1 A 51 51 ILE HA H 51 4.777 5.391 -0.614 1
1 516 . 13 1 1 A 51 51 ILE C C 51 175.026 173.521 1.505 1
1 517 . 13 1 1 A 51 51 ILE CA C 51 60.217 59.136 1.081 1
1 518 . 13 1 1 A 51 51 ILE CB C 51 42.388 41.990 0.398 1
1 522 . 13 1 1 A 51 51 ILE N N 51 117.769 121.766 -3.997 1
1 523 . 13 1 1 A 52 52 ILE H H 52 9.485 9.024 0.461 1
1 524 . 13 1 1 A 52 52 ILE HA H 52 4.533 4.641 -0.108 1
1 534 . 13 1 1 A 52 52 ILE C C 52 173.526 174.640 -1.114 1
1 535 . 13 1 1 A 52 52 ILE CA C 52 57.983 57.653 0.330 1
1 536 . 13 1 1 A 52 52 ILE CB C 52 40.324 39.217 1.107 1
1 540 . 13 1 1 A 52 52 ILE N N 52 127.899 129.161 -1.262 1
1 541 . 13 1 1 A 53 53 PRO HA H 53 4.501 4.751 -0.250 1
1 548 . 13 1 1 A 53 53 PRO C C 53 177.663 178.129 -0.466 1
1 549 . 13 1 1 A 53 53 PRO CA C 53 62.838 62.990 -0.152 1
1 550 . 13 1 1 A 53 53 PRO CB C 53 31.939 31.867 0.072 1
1 553 . 13 1 1 A 54 54 LEU H H 54 8.647 9.309 -0.662 1
1 554 . 13 1 1 A 54 54 LEU HA H 54 3.985 4.221 -0.236 1
1 564 . 13 1 1 A 54 54 LEU C C 54 178.940 178.090 0.850 1
1 565 . 13 1 1 A 54 54 LEU CA C 54 58.371 57.856 0.515 1
1 566 . 13 1 1 A 54 54 LEU CB C 54 42.388 41.694 0.694 1
1 570 . 13 1 1 A 54 54 LEU N N 54 124.847 127.230 -2.383 1
1 571 . 13 1 1 A 55 55 SER H H 55 8.278 8.417 -0.139 1
1 572 . 13 1 1 A 55 55 SER HA H 55 4.169 4.255 -0.086 1
1 575 . 13 1 1 A 55 55 SER C C 55 174.956 177.031 -2.075 1
1 576 . 13 1 1 A 55 55 SER CA C 55 59.971 61.555 -1.584 1
1 577 . 13 1 1 A 55 55 SER CB C 55 62.721 62.334 0.387 1
1 578 . 13 1 1 A 55 55 SER N N 55 109.639 114.731 -5.092 1
1 579 . 13 1 1 A 56 56 ALA H H 56 7.796 8.110 -0.314 1
1 580 . 13 1 1 A 56 56 ALA HA H 56 4.545 4.175 0.370 1
1 584 . 13 1 1 A 56 56 ALA C C 56 177.505 178.759 -1.254 1
1 585 . 13 1 1 A 56 56 ALA CA C 56 52.022 55.417 -3.395 1
1 586 . 13 1 1 A 56 56 ALA CB C 56 20.240 18.236 2.004 1
1 587 . 13 1 1 A 56 56 ALA N N 56 123.057 122.313 0.744 1
1 588 . 13 1 1 A 57 57 ILE H H 57 7.664 7.369 0.295 1
1 589 . 13 1 1 A 57 57 ILE HA H 57 4.035 4.519 -0.484 1
1 599 . 13 1 1 A 57 57 ILE C C 57 175.285 175.876 -0.591 1
1 600 . 13 1 1 A 57 57 ILE CA C 57 62.697 62.107 0.590 1
1 601 . 13 1 1 A 57 57 ILE CB C 57 38.474 37.148 1.326 1
1 605 . 13 1 1 A 57 57 ILE N N 57 119.512 118.065 1.447 1
1 606 . 13 1 1 A 58 58 SER H H 58 9.364 9.180 0.184 1
1 607 . 13 1 1 A 58 58 SER HA H 58 4.526 4.405 0.121 1
1 610 . 13 1 1 A 58 58 SER C C 58 175.125 174.486 0.639 1
1 611 . 13 1 1 A 58 58 SER CA C 58 59.215 61.124 -1.909 1
1 612 . 13 1 1 A 58 58 SER CB C 58 63.590 63.922 -0.332 1
1 613 . 13 1 1 A 58 58 SER N N 58 122.513 124.166 -1.653 1
1 614 . 13 1 1 A 59 59 THR H H 59 7.502 7.527 -0.025 1
1 615 . 13 1 1 A 59 59 THR HA H 59 4.355 4.551 -0.196 1
1 620 . 13 1 1 A 59 59 THR C C 59 170.784 171.904 -1.120 1
1 621 . 13 1 1 A 59 59 THR CA C 59 61.132 61.087 0.045 1
1 622 . 13 1 1 A 59 59 THR CB C 59 68.686 70.902 -2.216 1
1 624 . 13 1 1 A 59 59 THR N N 59 112.470 111.599 0.871 1
1 625 . 13 1 1 A 60 60 VAL H H 60 7.766 8.449 -0.683 1
1 626 . 13 1 1 A 60 60 VAL HA H 60 5.326 5.289 0.037 1
1 634 . 13 1 1 A 60 60 VAL C C 60 174.166 174.196 -0.030 1
1 635 . 13 1 1 A 60 60 VAL CA C 60 60.410 60.328 0.082 1
1 636 . 13 1 1 A 60 60 VAL CB C 60 34.979 34.928 0.051 1
1 639 . 13 1 1 A 60 60 VAL N N 60 121.276 124.944 -3.668 1
1 640 . 13 1 1 A 61 61 ARG H H 61 8.941 8.689 0.252 1
1 641 . 13 1 1 A 61 61 ARG HA H 61 5.053 5.073 -0.020 1
1 648 . 13 1 1 A 61 61 ARG C C 61 175.460 175.111 0.349 1
1 649 . 13 1 1 A 61 61 ARG CA C 61 54.166 54.467 -0.301 1
1 650 . 13 1 1 A 61 61 ARG CB C 61 34.000 33.883 0.117 1
1 653 . 13 1 1 A 61 61 ARG N N 61 121.101 123.248 -2.147 1
1 654 . 13 1 1 A 62 62 VAL H H 62 8.627 8.625 0.002 1
1 655 . 13 1 1 A 62 62 VAL HA H 62 4.195 4.133 0.062 1
1 663 . 13 1 1 A 62 62 VAL C C 62 175.216 175.328 -0.112 1
1 664 . 13 1 1 A 62 62 VAL CA C 62 62.926 62.239 0.687 1
1 665 . 13 1 1 A 62 62 VAL CB C 62 33.459 32.348 1.111 1
1 668 . 13 1 1 A 62 62 VAL N N 62 118.451 119.638 -1.187 1
1 669 . 13 1 1 A 63 63 GLN H H 63 7.628 8.382 -0.754 1
1 670 . 13 1 1 A 63 63 GLN HA H 63 4.575 4.672 -0.097 1
1 677 . 13 1 1 A 63 63 GLN C C 63 174.418 175.465 -1.047 1
1 678 . 13 1 1 A 63 63 GLN CA C 63 55.451 55.178 0.273 1
1 679 . 13 1 1 A 63 63 GLN CB C 63 32.062 31.208 0.854 1
1 681 . 13 1 1 A 63 63 GLN N N 63 123.160 125.227 -2.067 1
1 683 . 13 1 1 A 64 64 GLY H H 64 8.678 8.661 0.017 1
1 684 . 13 1 1 A 64 64 GLY HA2 H 64 4.025 4.036 -0.011 1
1 685 . 13 1 1 A 64 64 GLY HA3 H 64 3.895 4.039 -0.144 1
1 686 . 13 1 1 A 64 64 GLY C C 64 174.592 173.223 1.369 1
1 687 . 13 1 1 A 64 64 GLY CA C 64 45.531 44.541 0.990 1
1 688 . 13 1 1 A 64 64 GLY N N 64 112.406 115.232 -2.826 1
1 689 . 13 1 1 A 65 65 ASP HA H 65 4.625 4.834 -0.209 1
1 692 . 13 1 1 A 65 65 ASP C C 65 176.902 176.230 0.672 1
1 693 . 13 1 1 A 65 65 ASP CA C 65 55.486 53.860 1.626 1
1 694 . 13 1 1 A 65 65 ASP CB C 65 40.817 40.512 0.305 1
1 695 . 13 1 1 A 66 66 ASN H H 66 7.979 8.906 -0.927 1
1 696 . 13 1 1 A 66 66 ASN HA H 66 4.554 4.317 0.237 1
1 701 . 13 1 1 A 66 66 ASN C C 66 174.456 173.995 0.461 1
1 702 . 13 1 1 A 66 66 ASN CA C 66 52.795 54.387 -1.592 1
1 703 . 13 1 1 A 66 66 ASN CB C 66 37.981 37.129 0.852 1
1 704 . 13 1 1 A 66 66 ASN N N 66 112.071 118.977 -6.906 1
1 706 . 13 1 1 A 67 67 LYS H H 67 7.476 7.487 -0.011 1
1 707 . 13 1 1 A 67 67 LYS HA H 67 5.914 5.102 0.812 1
1 716 . 13 1 1 A 67 67 LYS C C 67 177.922 175.386 2.536 1
1 717 . 13 1 1 A 67 67 LYS CA C 67 54.906 54.471 0.435 1
1 718 . 13 1 1 A 67 67 LYS CB C 67 36.707 36.791 -0.084 1
1 722 . 13 1 1 A 67 67 LYS N N 67 115.613 116.756 -1.143 1
1 723 . 13 1 1 A 68 68 PHE H H 68 9.227 8.248 0.979 1
1 724 . 13 1 1 A 68 68 PHE HA H 68 5.296 5.064 0.232 1
1 732 . 13 1 1 A 68 68 PHE C C 68 171.230 172.097 -0.867 1
1 733 . 13 1 1 A 68 68 PHE CA C 68 56.576 56.242 0.334 1
1 734 . 13 1 1 A 68 68 PHE CB C 68 42.790 41.785 1.005 1
1 740 . 13 1 1 A 68 68 PHE N N 68 117.009 117.154 -0.145 1
1 741 . 13 1 1 A 69 69 GLU H H 69 9.527 9.007 0.520 1
1 742 . 13 1 1 A 69 69 GLU HA H 69 5.434 4.897 0.537 1
1 747 . 13 1 1 A 69 69 GLU C C 69 175.659 175.454 0.205 1
1 748 . 13 1 1 A 69 69 GLU CA C 69 53.429 55.236 -1.807 1
1 749 . 13 1 1 A 69 69 GLU CB C 69 33.460 32.436 1.024 1
1 751 . 13 1 1 A 69 69 GLU N N 69 119.470 120.789 -1.319 1
1 752 . 13 1 1 A 70 70 VAL H H 70 9.486 8.917 0.569 1
1 753 . 13 1 1 A 70 70 VAL HA H 70 4.486 4.638 -0.152 1
1 761 . 13 1 1 A 70 70 VAL C C 70 174.403 175.224 -0.821 1
1 762 . 13 1 1 A 70 70 VAL CA C 70 62.240 61.716 0.524 1
1 763 . 13 1 1 A 70 70 VAL CB C 70 33.706 32.911 0.795 1
1 766 . 13 1 1 A 70 70 VAL N N 70 123.935 127.126 -3.191 1
1 767 . 13 1 1 A 71 71 VAL H H 71 8.658 8.689 -0.031 1
1 768 . 13 1 1 A 71 71 VAL HA H 71 4.345 4.392 -0.047 1
1 776 . 13 1 1 A 71 71 VAL C C 71 175.524 175.726 -0.202 1
1 777 . 13 1 1 A 71 71 VAL CA C 71 63.365 63.029 0.336 1
1 778 . 13 1 1 A 71 71 VAL CB C 71 32.802 31.407 1.395 1
1 781 . 13 1 1 A 71 71 VAL N N 71 129.195 127.899 1.296 1
1 782 . 13 1 1 A 72 72 THR H H 72 8.134 8.347 -0.213 1
1 783 . 13 1 1 A 72 72 THR HA H 72 5.515 5.469 0.046 1
1 788 . 13 1 1 A 72 72 THR C C 72 174.609 175.547 -0.938 1
1 789 . 13 1 1 A 72 72 THR CA C 72 59.496 59.457 0.039 1
1 790 . 13 1 1 A 72 72 THR CB C 72 72.139 72.422 -0.283 1
1 792 . 13 1 1 A 72 72 THR N N 72 117.639 117.271 0.368 1
1 793 . 13 1 1 A 73 73 THR H H 73 8.944 9.166 -0.222 1
1 794 . 13 1 1 A 73 73 THR HA H 73 3.966 3.957 0.009 1
1 799 . 13 1 1 A 73 73 THR C C 73 175.783 176.003 -0.220 1
1 800 . 13 1 1 A 73 73 THR CA C 73 65.880 66.781 -0.901 1
1 801 . 13 1 1 A 73 73 THR CB C 73 68.604 68.983 -0.379 1
1 803 . 13 1 1 A 73 73 THR N N 73 114.027 117.606 -3.579 1
1 804 . 13 1 1 A 74 74 GLN H H 74 7.997 8.053 -0.056 1
1 805 . 13 1 1 A 74 74 GLN HA H 74 4.350 4.128 0.222 1
1 812 . 13 1 1 A 74 74 GLN C C 74 175.698 176.084 -0.386 1
1 813 . 13 1 1 A 74 74 GLN CA C 74 56.910 59.242 -2.332 1
1 814 . 13 1 1 A 74 74 GLN CB C 74 30.624 28.783 1.841 1
1 816 . 13 1 1 A 74 74 GLN N N 74 115.670 118.451 -2.781 1
1 818 . 13 1 1 A 75 75 ARG H H 75 7.366 7.544 -0.178 1
1 819 . 13 1 1 A 75 75 ARG HA H 75 4.395 4.572 -0.177 1
1 826 . 13 1 1 A 75 75 ARG C C 75 174.546 174.640 -0.094 1
1 827 . 13 1 1 A 75 75 ARG CA C 75 55.802 54.860 0.942 1
1 828 . 13 1 1 A 75 75 ARG CB C 75 32.514 32.907 -0.393 1
1 831 . 13 1 1 A 75 75 ARG N N 75 115.650 113.258 2.392 1
1 832 . 13 1 1 A 76 76 THR H H 76 8.679 8.466 0.213 1
1 833 . 13 1 1 A 76 76 THR HA H 76 5.065 4.211 0.854 1
1 838 . 13 1 1 A 76 76 THR C C 76 173.239 173.937 -0.698 1
1 839 . 13 1 1 A 76 76 THR CA C 76 61.888 63.720 -1.832 1
1 840 . 13 1 1 A 76 76 THR CB C 76 69.878 69.617 0.261 1
1 842 . 13 1 1 A 76 76 THR N N 76 120.285 116.523 3.762 1
1 843 . 13 1 1 A 77 77 PHE H H 77 9.156 9.343 -0.187 1
1 844 . 13 1 1 A 77 77 PHE HA H 77 4.385 5.029 -0.644 1
1 852 . 13 1 1 A 77 77 PHE C C 77 174.028 174.694 -0.666 1
1 853 . 13 1 1 A 77 77 PHE CA C 77 56.822 55.767 1.055 1
1 854 . 13 1 1 A 77 77 PHE CB C 77 41.640 42.944 -1.304 1
1 860 . 13 1 1 A 77 77 PHE N N 77 127.212 125.050 2.162 1
1 861 . 13 1 1 A 78 78 VAL H H 78 8.374 8.244 0.130 1
1 862 . 13 1 1 A 78 78 VAL HA H 78 4.506 4.528 -0.022 1
1 870 . 13 1 1 A 78 78 VAL C C 78 173.264 174.605 -1.341 1
1 871 . 13 1 1 A 78 78 VAL CA C 78 61.730 61.244 0.486 1
1 872 . 13 1 1 A 78 78 VAL CB C 78 33.254 34.307 -1.053 1
1 875 . 13 1 1 A 78 78 VAL N N 78 123.393 119.315 4.078 1
1 876 . 13 1 1 A 79 79 PHE H H 79 8.458 8.148 0.310 1
1 877 . 13 1 1 A 79 79 PHE HA H 79 5.403 4.917 0.486 1
1 885 . 13 1 1 A 79 79 PHE C C 79 173.855 173.670 0.185 1
1 886 . 13 1 1 A 79 79 PHE CA C 79 55.151 55.538 -0.387 1
1 887 . 13 1 1 A 79 79 PHE CB C 79 42.913 42.145 0.768 1
1 893 . 13 1 1 A 79 79 PHE N N 79 123.801 124.926 -1.125 1
1 894 . 13 1 1 A 80 80 ARG H H 80 9.407 9.283 0.124 1
1 895 . 13 1 1 A 80 80 ARG HA H 80 5.134 5.023 0.111 1
1 902 . 13 1 1 A 80 80 ARG C C 80 174.634 174.815 -0.181 1
1 903 . 13 1 1 A 80 80 ARG CA C 80 54.431 53.742 0.689 1
1 904 . 13 1 1 A 80 80 ARG CB C 80 35.227 33.488 1.739 1
1 907 . 13 1 1 A 80 80 ARG N N 80 121.570 123.305 -1.735 1
1 908 . 13 1 1 A 81 81 VAL H H 81 8.544 8.230 0.314 1
1 909 . 13 1 1 A 81 81 VAL HA H 81 4.708 4.795 -0.087 1
1 917 . 13 1 1 A 81 81 VAL C C 81 175.050 175.794 -0.744 1
1 918 . 13 1 1 A 81 81 VAL CA C 81 59.602 59.014 0.588 1
1 919 . 13 1 1 A 81 81 VAL CB C 81 33.706 34.748 -1.042 1
1 922 . 13 1 1 A 81 81 VAL N N 81 122.128 118.612 3.516 1
1 923 . 13 1 1 A 82 82 GLU H H 82 8.549 8.965 -0.416 1
1 924 . 13 1 1 A 82 82 GLU HA H 82 4.132 4.418 -0.286 1
1 929 . 13 1 1 A 82 82 GLU C C 82 176.909 176.465 0.444 1
1 930 . 13 1 1 A 82 82 GLU CA C 82 58.973 57.192 1.781 1
1 931 . 13 1 1 A 82 82 GLU CB C 82 30.582 30.918 -0.336 1
1 933 . 13 1 1 A 82 82 GLU N N 82 121.776 120.485 1.291 1
1 934 . 13 1 1 A 83 83 LYS H H 83 7.618 7.615 0.003 1
1 935 . 13 1 1 A 83 83 LYS HA H 83 4.708 4.673 0.035 1
1 944 . 13 1 1 A 83 83 LYS C C 83 176.665 176.370 0.295 1
1 945 . 13 1 1 A 83 83 LYS CA C 83 54.694 54.866 -0.172 1
1 946 . 13 1 1 A 83 83 LYS CB C 83 34.775 36.088 -1.313 1
1 950 . 13 1 1 A 83 83 LYS N N 83 115.778 118.066 -2.288 1
1 951 . 13 1 1 A 84 84 GLU H H 84 9.150 8.898 0.252 1
1 952 . 13 1 1 A 84 84 GLU HA H 84 3.953 3.888 0.065 1
1 957 . 13 1 1 A 84 84 GLU C C 84 178.243 178.196 0.047 1
1 958 . 13 1 1 A 84 84 GLU CA C 84 60.217 60.545 -0.328 1
1 959 . 13 1 1 A 84 84 GLU CB C 84 29.843 29.407 0.436 1
1 961 . 13 1 1 A 84 84 GLU N N 84 127.798 124.844 2.954 1
1 962 . 13 1 1 A 85 85 GLU H H 85 9.626 8.516 1.110 1
1 963 . 13 1 1 A 85 85 GLU HA H 85 4.100 3.981 0.119 1
1 968 . 13 1 1 A 85 85 GLU C C 85 178.948 179.188 -0.240 1
1 969 . 13 1 1 A 85 85 GLU CA C 85 59.847 59.547 0.300 1
1 970 . 13 1 1 A 85 85 GLU CB C 85 28.897 29.195 -0.298 1
1 972 . 13 1 1 A 85 85 GLU N N 85 117.844 117.501 0.343 1
1 973 . 13 1 1 A 86 86 GLU H H 86 7.257 8.485 -1.228 1
1 974 . 13 1 1 A 86 86 GLU HA H 86 4.365 4.021 0.344 1
1 979 . 13 1 1 A 86 86 GLU C C 86 178.607 179.157 -0.550 1
1 980 . 13 1 1 A 86 86 GLU CA C 86 58.089 59.163 -1.074 1
1 981 . 13 1 1 A 86 86 GLU CB C 86 30.212 29.613 0.599 1
1 983 . 13 1 1 A 86 86 GLU N N 86 118.075 120.419 -2.344 1
1 984 . 13 1 1 A 87 87 ARG H H 87 7.919 7.723 0.196 1
1 985 . 13 1 1 A 87 87 ARG HA H 87 3.838 4.074 -0.236 1
1 992 . 13 1 1 A 87 87 ARG C C 87 177.977 178.041 -0.064 1
1 993 . 13 1 1 A 87 87 ARG CA C 87 60.815 59.302 1.513 1
1 994 . 13 1 1 A 87 87 ARG CB C 87 28.856 30.118 -1.262 1
1 997 . 13 1 1 A 87 87 ARG N N 87 121.287 120.739 0.548 1
1 998 . 13 1 1 A 88 88 ASN H H 88 8.421 8.201 0.220 1
1 999 . 13 1 1 A 88 88 ASN HA H 88 4.295 4.452 -0.157 1
1 1004 . 13 1 1 A 88 88 ASN C C 88 177.423 177.189 0.234 1
1 1005 . 13 1 1 A 88 88 ASN CA C 88 55.627 55.870 -0.243 1
1 1006 . 13 1 1 A 88 88 ASN CB C 88 37.136 37.963 -0.827 1
1 1007 . 13 1 1 A 88 88 ASN N N 88 116.926 116.029 0.897 1
1 1009 . 13 1 1 A 89 89 ASP H H 89 7.790 7.997 -0.207 1
1 1010 . 13 1 1 A 89 89 ASP HA H 89 4.389 4.180 0.209 1
1 1013 . 13 1 1 A 89 89 ASP C C 89 177.683 178.655 -0.972 1
1 1014 . 13 1 1 A 89 89 ASP CA C 89 57.737 57.144 0.593 1
1 1015 . 13 1 1 A 89 89 ASP CB C 89 41.352 40.507 0.845 1
1 1016 . 13 1 1 A 89 89 ASP N N 89 121.867 119.232 2.635 1
1 1017 . 13 1 1 A 90 90 TRP H H 90 7.690 8.127 -0.437 1
1 1018 . 13 1 1 A 90 90 TRP HA H 90 3.666 4.194 -0.528 1
1 1027 . 13 1 1 A 90 90 TRP C C 90 177.880 178.651 -0.771 1
1 1028 . 13 1 1 A 90 90 TRP CA C 90 61.704 59.518 2.186 1
1 1029 . 13 1 1 A 90 90 TRP CB C 90 29.594 29.017 0.577 1
1 1035 . 13 1 1 A 90 90 TRP N N 90 117.617 119.828 -2.211 1
1 1037 . 13 1 1 A 91 91 ILE H H 91 7.654 7.903 -0.249 1
1 1038 . 13 1 1 A 91 91 ILE HA H 91 3.275 3.567 -0.292 1
1 1048 . 13 1 1 A 91 91 ILE C C 91 177.138 178.006 -0.868 1
1 1049 . 13 1 1 A 91 91 ILE CA C 91 65.001 65.562 -0.561 1
1 1050 . 13 1 1 A 91 91 ILE CB C 91 36.913 37.455 -0.542 1
1 1054 . 13 1 1 A 91 91 ILE N N 91 114.248 120.234 -5.986 1
1 1055 . 13 1 1 A 92 92 SER H H 92 8.055 7.954 0.101 1
1 1056 . 13 1 1 A 92 92 SER HA H 92 4.045 4.015 0.030 1
1 1059 . 13 1 1 A 92 92 SER C C 92 177.204 176.079 1.125 1
1 1060 . 13 1 1 A 92 92 SER CA C 92 61.923 62.075 -0.152 1
1 1061 . 13 1 1 A 92 92 SER CB C 92 62.767 62.890 -0.123 1
1 1062 . 13 1 1 A 92 92 SER N N 92 114.018 116.037 -2.019 1
1 1063 . 13 1 1 A 93 93 ILE H H 93 7.926 7.820 0.106 1
1 1064 . 13 1 1 A 93 93 ILE HA H 93 3.795 3.646 0.149 1
1 1074 . 13 1 1 A 93 93 ILE C C 93 178.947 177.872 1.075 1
1 1075 . 13 1 1 A 93 93 ILE CA C 93 64.825 65.311 -0.486 1
1 1076 . 13 1 1 A 93 93 ILE CB C 93 37.693 38.145 -0.452 1
1 1080 . 13 1 1 A 93 93 ILE N N 93 120.974 121.427 -0.453 1
1 1081 . 13 1 1 A 94 94 LEU H H 94 7.678 7.983 -0.305 1
1 1082 . 13 1 1 A 94 94 LEU HA H 94 3.634 3.737 -0.103 1
1 1092 . 13 1 1 A 94 94 LEU C C 94 178.551 178.831 -0.280 1
1 1093 . 13 1 1 A 94 94 LEU CA C 94 57.861 57.951 -0.090 1
1 1094 . 13 1 1 A 94 94 LEU CB C 94 42.356 41.806 0.550 1
1 1098 . 13 1 1 A 94 94 LEU N N 94 121.223 119.247 1.976 1
1 1099 . 13 1 1 A 95 95 LEU H H 95 8.954 8.406 0.548 1
1 1100 . 13 1 1 A 95 95 LEU HA H 95 4.037 3.860 0.177 1
1 1110 . 13 1 1 A 95 95 LEU C C 95 180.858 178.932 1.926 1
1 1111 . 13 1 1 A 95 95 LEU CA C 95 58.194 58.055 0.139 1
1 1112 . 13 1 1 A 95 95 LEU CB C 95 41.286 41.351 -0.065 1
1 1116 . 13 1 1 A 95 95 LEU N N 95 118.177 118.087 0.090 1
1 1117 . 13 1 1 A 96 96 ASN H H 96 8.235 8.270 -0.035 1
1 1118 . 13 1 1 A 96 96 ASN HA H 96 4.445 4.376 0.069 1
1 1123 . 13 1 1 A 96 96 ASN C C 96 177.901 177.372 0.529 1
1 1124 . 13 1 1 A 96 96 ASN CA C 96 56.347 57.135 -0.788 1
1 1125 . 13 1 1 A 96 96 ASN CB C 96 38.105 39.867 -1.762 1
1 1126 . 13 1 1 A 96 96 ASN N N 96 117.502 117.421 0.081 1
1 1128 . 13 1 1 A 97 97 ALA H H 97 7.756 7.571 0.185 1
1 1129 . 13 1 1 A 97 97 ALA HA H 97 4.305 4.204 0.101 1
1 1133 . 13 1 1 A 97 97 ALA C C 97 180.315 180.096 0.219 1
1 1134 . 13 1 1 A 97 97 ALA CA C 97 54.906 55.213 -0.307 1
1 1135 . 13 1 1 A 97 97 ALA CB C 97 19.214 18.297 0.917 1
1 1136 . 13 1 1 A 97 97 ALA N N 97 123.457 122.167 1.290 1
1 1137 . 13 1 1 A 98 98 LEU H H 98 8.335 8.247 0.088 1
1 1138 . 13 1 1 A 98 98 LEU HA H 98 4.055 3.919 0.136 1
1 1148 . 13 1 1 A 98 98 LEU C C 98 179.542 179.314 0.228 1
1 1149 . 13 1 1 A 98 98 LEU CA C 98 57.578 58.050 -0.472 1
1 1150 . 13 1 1 A 98 98 LEU CB C 98 42.174 41.570 0.604 1
1 1154 . 13 1 1 A 98 98 LEU N N 98 119.610 118.290 1.320 1
1 1155 . 13 1 1 A 99 99 LYS H H 99 7.969 7.942 0.027 1
1 1156 . 13 1 1 A 99 99 LYS HA H 99 4.203 4.136 0.067 1
1 1165 . 13 1 1 A 99 99 LYS C C 99 178.392 178.619 -0.227 1
1 1166 . 13 1 1 A 99 99 LYS CA C 99 58.563 58.931 -0.368 1
1 1167 . 13 1 1 A 99 99 LYS CB C 99 32.267 32.016 0.251 1
1 1171 . 13 1 1 A 99 99 LYS N N 99 119.323 118.578 0.745 1
1 1172 . 13 1 1 A 100 100 SER H H 100 7.854 8.136 -0.282 1
1 1173 . 13 1 1 A 100 100 SER HA H 100 4.404 4.238 0.166 1
1 1176 . 13 1 1 A 100 100 SER C C 100 175.449 177.572 -2.123 1
1 1177 . 13 1 1 A 100 100 SER CA C 100 60.076 61.253 -1.177 1
1 1178 . 13 1 1 A 100 100 SER CB C 100 63.600 62.700 0.900 1
1 1179 . 13 1 1 A 100 100 SER N N 100 114.116 115.619 -1.503 1
1 1180 . 13 1 1 A 101 101 GLN H H 101 7.863 7.862 0.001 1
1 1181 . 13 1 1 A 101 101 GLN HA H 101 4.294 4.232 0.062 1
1 1188 . 13 1 1 A 101 101 GLN C C 101 176.613 177.147 -0.534 1
1 1189 . 13 1 1 A 101 101 GLN CA C 101 57.121 58.162 -1.041 1
1 1190 . 13 1 1 A 101 101 GLN CB C 101 29.761 28.731 1.030 1
1 1192 . 13 1 1 A 101 101 GLN N N 101 120.923 121.811 -0.888 1
1 1194 . 13 1 1 A 102 102 SER H H 102 8.170 7.581 0.589 1
1 1195 . 13 1 1 A 102 102 SER HA H 102 4.445 4.602 -0.157 1
1 1198 . 13 1 1 A 102 102 SER C C 102 175.030 172.855 2.175 1
1 1199 . 13 1 1 A 102 102 SER CA C 102 59.162 57.815 1.347 1
1 1200 . 13 1 1 A 102 102 SER CB C 102 63.466 61.596 1.870 1
1 1201 . 13 1 1 A 102 102 SER N N 102 115.689 113.433 2.256 1
1 1202 . 13 1 1 A 103 103 LEU H H 103 8.111 7.583 0.528 1
1 1203 . 13 1 1 A 103 103 LEU HA H 103 4.400 4.884 -0.484 1
1 1213 . 13 1 1 A 103 103 LEU C C 103 178.263 176.354 1.909 1
1 1214 . 13 1 1 A 103 103 LEU CA C 103 55.908 53.305 2.603 1
1 1215 . 13 1 1 A 103 103 LEU CB C 103 42.215 45.039 -2.824 1
1 1219 . 13 1 1 A 103 103 LEU N N 103 123.252 121.977 1.275 1
1 1220 . 13 1 1 A 104 104 THR H H 104 8.064 8.643 -0.579 1
1 1221 . 13 1 1 A 104 104 THR HA H 104 4.354 4.449 -0.095 1
1 1226 . 13 1 1 A 104 104 THR C C 104 175.092 174.102 0.990 1
1 1227 . 13 1 1 A 104 104 THR CA C 104 62.368 62.624 -0.256 1
1 1228 . 13 1 1 A 104 104 THR CB C 104 69.673 67.292 2.381 1
1 1230 . 13 1 1 A 104 104 THR N N 104 113.441 115.869 -2.428 1
1 1231 . 13 1 1 A 105 105 SER H H 105 8.231 8.474 -0.243 1
1 1232 . 13 1 1 A 105 105 SER C C 105 177.959 172.233 5.726 1
1 1233 . 13 1 1 A 105 105 SER CA C 105 58.406 57.674 0.732 1
1 1234 . 13 1 1 A 105 105 SER CB C 105 63.507 67.530 -4.023 1
1 1235 . 13 1 1 A 105 105 SER N N 105 117.638 121.198 -3.560 1
1 1236 . 13 1 1 A 106 106 GLN HA H 106 4.365 4.802 -0.437 1
1 1239 . 13 1 1 A 106 106 GLN C C 106 176.322 174.883 1.439 1
1 1240 . 13 1 1 A 106 106 GLN CA C 106 56.189 54.523 1.666 1
1 1241 . 13 1 1 A 106 106 GLN CB C 106 29.226 29.042 0.184 1
1 1243 . 13 1 1 A 107 107 SER H H 107 8.287 9.002 -0.715 1
1 1244 . 13 1 1 A 107 107 SER HA H 107 4.404 5.075 -0.671 1
1 1246 . 13 1 1 A 107 107 SER C C 107 174.687 173.510 1.177 1
1 1247 . 13 1 1 A 107 107 SER CA C 107 58.722 58.075 0.647 1
1 1248 . 13 1 1 A 107 107 SER CB C 107 63.713 63.857 -0.144 1
1 1249 . 13 1 1 A 107 107 SER N N 107 116.578 123.157 -6.579 1
1 1250 . 13 1 1 A 108 108 GLN H H 108 8.354 8.830 -0.476 1
1 1251 . 13 1 1 A 108 108 GLN HA H 108 4.349 5.064 -0.715 1
1 1258 . 13 1 1 A 108 108 GLN C C 108 175.798 174.145 1.653 1
1 1259 . 13 1 1 A 108 108 GLN CA C 108 55.820 54.048 1.772 1
1 1260 . 13 1 1 A 108 108 GLN CB C 108 29.432 32.197 -2.765 1
1 1262 . 13 1 1 A 108 108 GLN N N 108 122.015 124.961 -2.946 1
1 1264 . 13 1 1 A 109 109 ALA H H 109 8.301 8.306 -0.005 1
1 1265 . 13 1 1 A 109 109 ALA HA H 109 4.345 4.309 0.036 1
1 1269 . 13 1 1 A 109 109 ALA C C 109 177.749 177.938 -0.189 1
1 1270 . 13 1 1 A 109 109 ALA CA C 109 52.672 53.282 -0.610 1
1 1271 . 13 1 1 A 109 109 ALA CB C 109 19.237 20.416 -1.179 1
1 1272 . 13 1 1 A 109 109 ALA N N 109 125.243 122.544 2.699 1
1 1273 . 13 1 1 A 110 110 SER H H 110 8.290 8.146 0.144 1
1 1274 . 13 1 1 A 110 110 SER HA H 110 4.459 4.045 0.414 1
1 1277 . 13 1 1 A 110 110 SER C C 110 174.593 173.739 0.854 1
1 1278 . 13 1 1 A 110 110 SER CA C 110 58.248 59.296 -1.048 1
1 1279 . 13 1 1 A 110 110 SER CB C 110 63.918 62.052 1.866 1
1 1280 . 13 1 1 A 110 110 SER N N 110 115.148 113.102 2.046 1
1 1281 . 13 1 1 A 111 111 GLY H H 111 8.199 8.487 -0.288 1
1 1282 . 13 1 1 A 111 111 GLY HA2 H 111 4.167 4.082 0.085 1
1 1283 . 13 1 1 A 111 111 GLY HA3 H 111 4.094 4.085 0.009 1
1 1284 . 13 1 1 A 111 111 GLY C C 111 171.782 173.731 -1.949 1
1 1285 . 13 1 1 A 111 111 GLY CA C 111 44.652 45.020 -0.368 1
1 1286 . 13 1 1 A 111 111 GLY N N 111 110.586 107.064 3.522 1
1 1287 . 13 1 1 A 112 112 PRO HA H 112 4.471 4.471 0.000 1
1 1294 . 13 1 1 A 112 112 PRO CA C 112 63.154 64.057 -0.903 1
1 1295 . 13 1 1 A 112 112 PRO CB C 112 32.314 32.102 0.212 1
1 1 . 14 1 1 A 7 7 GLY H H 7 9.055 8.394 0.661 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.908 4.095 -0.187 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 3.968 4.113 -0.145 1
1 4 . 14 1 1 A 7 7 GLY C C 7 173.671 173.833 -0.162 1
1 5 . 14 1 1 A 7 7 GLY CA C 7 45.421 44.764 0.657 1
1 6 . 14 1 1 A 8 8 LYS H H 8 8.145 8.627 -0.482 1
1 7 . 14 1 1 A 8 8 LYS HA H 8 4.345 4.502 -0.157 1
1 16 . 14 1 1 A 8 8 LYS C C 8 175.255 176.154 -0.899 1
1 17 . 14 1 1 A 8 8 LYS CA C 8 56.330 56.778 -0.448 1
1 18 . 14 1 1 A 8 8 LYS CB C 8 33.583 33.202 0.381 1
1 22 . 14 1 1 A 8 8 LYS N N 8 120.101 121.711 -1.610 1
1 23 . 14 1 1 A 9 9 VAL H H 9 7.579 7.434 0.145 1
1 24 . 14 1 1 A 9 9 VAL HA H 9 4.473 5.009 -0.536 1
1 32 . 14 1 1 A 9 9 VAL C C 9 174.860 174.376 0.484 1
1 33 . 14 1 1 A 9 9 VAL CA C 9 59.989 58.409 1.580 1
1 34 . 14 1 1 A 9 9 VAL CB C 9 34.218 36.138 -1.920 1
1 37 . 14 1 1 A 9 9 VAL N N 9 114.437 117.955 -3.518 1
1 38 . 14 1 1 A 10 10 LYS H H 10 8.236 8.326 -0.090 1
1 39 . 14 1 1 A 10 10 LYS HA H 10 4.345 4.572 -0.227 1
1 48 . 14 1 1 A 10 10 LYS C C 10 172.963 174.183 -1.220 1
1 49 . 14 1 1 A 10 10 LYS CA C 10 56.096 55.344 0.752 1
1 50 . 14 1 1 A 10 10 LYS CB C 10 36.131 35.837 0.294 1
1 54 . 14 1 1 A 10 10 LYS N N 10 122.938 121.578 1.360 1
1 55 . 14 1 1 A 11 11 SER H H 11 8.168 8.281 -0.113 1
1 56 . 14 1 1 A 11 11 SER HA H 11 5.669 5.389 0.280 1
1 59 . 14 1 1 A 11 11 SER C C 11 173.281 173.079 0.202 1
1 60 . 14 1 1 A 11 11 SER CA C 11 55.960 57.378 -1.418 1
1 61 . 14 1 1 A 11 11 SER CB C 11 66.326 65.974 0.352 1
1 62 . 14 1 1 A 11 11 SER N N 11 119.068 116.398 2.670 1
1 63 . 14 1 1 A 12 12 GLY H H 12 8.248 7.834 0.414 1
1 64 . 14 1 1 A 12 12 GLY HA2 H 12 4.168 4.124 0.044 1
1 65 . 14 1 1 A 12 12 GLY HA3 H 12 3.478 4.315 -0.837 1
1 66 . 14 1 1 A 12 12 GLY C C 12 170.778 171.481 -0.703 1
1 67 . 14 1 1 A 12 12 GLY CA C 12 45.654 45.438 0.216 1
1 68 . 14 1 1 A 12 12 GLY N N 12 108.756 109.003 -0.247 1
1 69 . 14 1 1 A 13 13 TRP H H 13 8.622 8.677 -0.055 1
1 70 . 14 1 1 A 13 13 TRP HA H 13 5.398 4.787 0.611 1
1 79 . 14 1 1 A 13 13 TRP C C 13 177.511 175.829 1.682 1
1 80 . 14 1 1 A 13 13 TRP CA C 13 57.069 56.964 0.105 1
1 81 . 14 1 1 A 13 13 TRP CB C 13 30.295 28.431 1.864 1
1 87 . 14 1 1 A 13 13 TRP N N 13 119.518 120.544 -1.026 1
1 89 . 14 1 1 A 14 14 LEU H H 14 9.524 8.179 1.345 1
1 90 . 14 1 1 A 14 14 LEU HA H 14 4.791 5.057 -0.266 1
1 100 . 14 1 1 A 14 14 LEU C C 14 175.381 175.356 0.025 1
1 101 . 14 1 1 A 14 14 LEU CA C 14 54.096 53.268 0.828 1
1 102 . 14 1 1 A 14 14 LEU CB C 14 47.682 44.082 3.600 1
1 106 . 14 1 1 A 14 14 LEU N N 14 124.165 125.774 -1.609 1
1 107 . 14 1 1 A 15 15 ASP H H 15 8.335 8.174 0.161 1
1 108 . 14 1 1 A 15 15 ASP HA H 15 5.424 5.065 0.359 1
1 111 . 14 1 1 A 15 15 ASP C C 15 175.302 176.179 -0.877 1
1 112 . 14 1 1 A 15 15 ASP CA C 15 53.252 53.389 -0.137 1
1 113 . 14 1 1 A 15 15 ASP CB C 15 42.420 42.379 0.041 1
1 114 . 14 1 1 A 15 15 ASP N N 15 120.275 122.132 -1.857 1
1 115 . 14 1 1 A 16 16 LYS H H 16 9.444 8.350 1.094 1
1 116 . 14 1 1 A 16 16 LYS HA H 16 4.781 4.416 0.365 1
1 125 . 14 1 1 A 16 16 LYS C C 16 176.244 176.410 -0.166 1
1 126 . 14 1 1 A 16 16 LYS CA C 16 54.782 56.022 -1.240 1
1 127 . 14 1 1 A 16 16 LYS CB C 16 36.666 33.297 3.369 1
1 131 . 14 1 1 A 16 16 LYS N N 16 125.854 124.809 1.045 1
1 132 . 14 1 1 A 17 17 LEU H H 17 8.387 8.154 0.233 1
1 133 . 14 1 1 A 17 17 LEU HA H 17 3.476 4.667 -1.191 1
1 143 . 14 1 1 A 17 17 LEU C C 17 175.840 176.640 -0.800 1
1 144 . 14 1 1 A 17 17 LEU CA C 17 55.715 54.398 1.317 1
1 145 . 14 1 1 A 17 17 LEU CB C 17 41.986 41.899 0.087 1
1 149 . 14 1 1 A 17 17 LEU N N 17 130.736 126.027 4.709 1
1 150 . 14 1 1 A 18 18 SER H H 18 8.378 7.991 0.387 1
1 151 . 14 1 1 A 18 18 SER HA H 18 4.563 4.867 -0.304 1
1 154 . 14 1 1 A 18 18 SER C C 18 172.291 173.834 -1.543 1
1 155 . 14 1 1 A 18 18 SER CA C 18 55.697 55.227 0.470 1
1 156 . 14 1 1 A 18 18 SER CB C 18 62.885 63.147 -0.262 1
1 157 . 14 1 1 A 18 18 SER N N 18 123.037 118.546 4.491 1
1 158 . 14 1 1 A 19 19 PRO HA H 19 4.414 4.150 0.264 1
1 165 . 14 1 1 A 19 19 PRO CA C 19 63.946 63.901 0.045 1
1 166 . 14 1 1 A 19 19 PRO CB C 19 32.128 31.366 0.762 1
1 169 . 14 1 1 A 20 20 GLN H H 20 8.085 8.185 -0.100 1
1 170 . 14 1 1 A 20 20 GLN HA H 20 4.353 4.152 0.201 1
1 175 . 14 1 1 A 20 20 GLN CA C 20 55.533 57.728 -2.195 1
1 176 . 14 1 1 A 20 20 GLN CB C 20 30.130 29.073 1.057 1
1 178 . 14 1 1 A 20 20 GLN N N 20 119.721 116.770 2.951 1
1 179 . 14 1 1 A 22 22 LYS H H 22 8.151 7.907 0.244 1
1 180 . 14 1 1 A 22 22 LYS HA H 22 4.165 4.409 -0.244 1
1 185 . 14 1 1 A 22 22 LYS C C 22 176.016 177.679 -1.663 1
1 186 . 14 1 1 A 22 22 LYS CA C 22 56.717 55.999 0.718 1
1 187 . 14 1 1 A 22 22 LYS CB C 22 32.303 33.386 -1.083 1
1 191 . 14 1 1 A 23 23 ARG H H 23 8.329 8.668 -0.339 1
1 192 . 14 1 1 A 23 23 ARG HA H 23 3.937 3.917 0.020 1
1 199 . 14 1 1 A 23 23 ARG C C 23 174.937 177.705 -2.768 1
1 200 . 14 1 1 A 23 23 ARG CA C 23 56.436 59.559 -3.123 1
1 201 . 14 1 1 A 23 23 ARG CB C 23 29.144 30.506 -1.362 1
1 204 . 14 1 1 A 23 23 ARG N N 23 119.006 121.801 -2.795 1
1 205 . 14 1 1 A 24 24 MET H H 24 7.965 7.953 0.012 1
1 206 . 14 1 1 A 24 24 MET HA H 24 4.492 4.546 -0.054 1
1 209 . 14 1 1 A 24 24 MET C C 24 174.737 176.051 -1.314 1
1 210 . 14 1 1 A 24 24 MET CA C 24 55.134 56.088 -0.954 1
1 211 . 14 1 1 A 24 24 MET CB C 24 33.665 34.162 -0.497 1
1 213 . 14 1 1 A 24 24 MET N N 24 120.460 113.834 6.626 1
1 214 . 14 1 1 A 25 25 PHE H H 25 8.593 7.592 1.001 1
1 215 . 14 1 1 A 25 25 PHE HA H 25 4.788 4.935 -0.147 1
1 223 . 14 1 1 A 25 25 PHE C C 25 175.712 173.914 1.798 1
1 224 . 14 1 1 A 25 25 PHE CA C 25 57.421 56.570 0.851 1
1 225 . 14 1 1 A 25 25 PHE CB C 25 41.890 43.824 -1.934 1
1 231 . 14 1 1 A 25 25 PHE N N 25 121.330 117.285 4.045 1
1 232 . 14 1 1 A 26 26 GLN H H 26 8.758 8.584 0.174 1
1 233 . 14 1 1 A 26 26 GLN HA H 26 4.777 4.925 -0.148 1
1 240 . 14 1 1 A 26 26 GLN C C 26 175.149 175.192 -0.043 1
1 241 . 14 1 1 A 26 26 GLN CA C 26 53.991 54.382 -0.391 1
1 242 . 14 1 1 A 26 26 GLN CB C 26 32.144 29.627 2.517 1
1 244 . 14 1 1 A 26 26 GLN N N 26 119.081 119.728 -0.647 1
1 246 . 14 1 1 A 27 27 LYS H H 27 8.913 8.848 0.065 1
1 247 . 14 1 1 A 27 27 LYS HA H 27 4.933 4.423 0.510 1
1 256 . 14 1 1 A 27 27 LYS C C 27 177.786 175.423 2.363 1
1 257 . 14 1 1 A 27 27 LYS CA C 27 57.843 57.429 0.414 1
1 258 . 14 1 1 A 27 27 LYS CB C 27 32.720 33.343 -0.623 1
1 262 . 14 1 1 A 27 27 LYS N N 27 126.903 127.397 -0.494 1
1 263 . 14 1 1 A 28 28 ARG H H 28 9.847 8.707 1.140 1
1 264 . 14 1 1 A 28 28 ARG HA H 28 5.236 5.220 0.016 1
1 271 . 14 1 1 A 28 28 ARG C C 28 173.319 174.520 -1.201 1
1 272 . 14 1 1 A 28 28 ARG CA C 28 53.481 54.130 -0.649 1
1 273 . 14 1 1 A 28 28 ARG CB C 28 34.405 34.709 -0.304 1
1 276 . 14 1 1 A 28 28 ARG N N 28 127.032 125.258 1.774 1
1 277 . 14 1 1 A 29 29 TRP H H 29 8.408 8.451 -0.043 1
1 278 . 14 1 1 A 29 29 TRP HA H 29 4.424 4.437 -0.013 1
1 285 . 14 1 1 A 29 29 TRP C C 29 174.606 174.872 -0.266 1
1 286 . 14 1 1 A 29 29 TRP CA C 29 56.383 57.167 -0.784 1
1 287 . 14 1 1 A 29 29 TRP CB C 29 29.226 30.218 -0.992 1
1 292 . 14 1 1 A 29 29 TRP N N 29 124.511 124.030 0.481 1
1 293 . 14 1 1 A 30 30 VAL H H 30 8.464 7.310 1.154 1
1 294 . 14 1 1 A 30 30 VAL HA H 30 4.736 4.564 0.172 1
1 302 . 14 1 1 A 30 30 VAL C C 30 172.903 173.990 -1.087 1
1 303 . 14 1 1 A 30 30 VAL CA C 30 61.219 59.708 1.511 1
1 304 . 14 1 1 A 30 30 VAL CB C 30 32.925 35.175 -2.250 1
1 307 . 14 1 1 A 30 30 VAL N N 30 129.572 125.902 3.670 1
1 308 . 14 1 1 A 31 31 LYS H H 31 9.125 8.555 0.570 1
1 309 . 14 1 1 A 31 31 LYS HA H 31 5.095 5.057 0.038 1
1 318 . 14 1 1 A 31 31 LYS C C 31 175.396 173.882 1.514 1
1 319 . 14 1 1 A 31 31 LYS CA C 31 54.677 54.589 0.088 1
1 320 . 14 1 1 A 31 31 LYS CB C 31 37.036 36.307 0.729 1
1 324 . 14 1 1 A 31 31 LYS N N 31 124.358 127.458 -3.100 1
1 325 . 14 1 1 A 32 32 PHE H H 32 9.725 9.259 0.466 1
1 326 . 14 1 1 A 32 32 PHE HA H 32 5.905 5.319 0.586 1
1 334 . 14 1 1 A 32 32 PHE C C 32 174.555 174.215 0.340 1
1 335 . 14 1 1 A 32 32 PHE CA C 32 56.224 56.196 0.028 1
1 336 . 14 1 1 A 32 32 PHE CB C 32 41.804 42.045 -0.241 1
1 342 . 14 1 1 A 32 32 PHE N N 32 125.979 128.105 -2.126 1
1 343 . 14 1 1 A 33 33 ASP H H 33 7.884 8.110 -0.226 1
1 344 . 14 1 1 A 33 33 ASP HA H 33 4.555 4.670 -0.115 1
1 347 . 14 1 1 A 33 33 ASP C C 33 175.730 175.784 -0.054 1
1 348 . 14 1 1 A 33 33 ASP CA C 33 52.602 52.836 -0.234 1
1 349 . 14 1 1 A 33 33 ASP CB C 33 41.686 40.912 0.774 1
1 350 . 14 1 1 A 33 33 ASP N N 33 126.924 127.789 -0.865 1
1 351 . 14 1 1 A 34 34 GLY H H 34 4.680 6.033 -1.353 1
1 352 . 14 1 1 A 34 34 GLY HA2 H 34 4.252 3.274 0.978 1
1 353 . 14 1 1 A 34 34 GLY HA3 H 34 3.023 3.659 -0.636 1
1 354 . 14 1 1 A 34 34 GLY C C 34 172.363 175.625 -3.262 1
1 355 . 14 1 1 A 34 34 GLY CA C 34 45.672 44.878 0.794 1
1 356 . 14 1 1 A 35 35 LEU H H 35 8.148 7.852 0.296 1
1 357 . 14 1 1 A 35 35 LEU HA H 35 4.623 4.038 0.585 1
1 367 . 14 1 1 A 35 35 LEU C C 35 177.783 177.017 0.766 1
1 368 . 14 1 1 A 35 35 LEU CA C 35 55.978 57.250 -1.272 1
1 369 . 14 1 1 A 35 35 LEU CB C 35 44.352 42.267 2.085 1
1 373 . 14 1 1 A 35 35 LEU N N 35 120.632 121.488 -0.856 1
1 374 . 14 1 1 A 36 36 SER H H 36 9.064 7.859 1.205 1
1 375 . 14 1 1 A 36 36 SER HA H 36 5.059 5.117 -0.058 1
1 378 . 14 1 1 A 36 36 SER C C 36 173.878 172.723 1.155 1
1 379 . 14 1 1 A 36 36 SER CA C 36 57.667 57.453 0.214 1
1 380 . 14 1 1 A 36 36 SER CB C 36 66.140 66.493 -0.353 1
1 381 . 14 1 1 A 36 36 SER N N 36 115.030 109.299 5.731 1
1 382 . 14 1 1 A 37 37 ILE H H 37 8.981 9.071 -0.090 1
1 383 . 14 1 1 A 37 37 ILE HA H 37 5.055 4.973 0.082 1
1 393 . 14 1 1 A 37 37 ILE C C 37 174.995 174.376 0.619 1
1 394 . 14 1 1 A 37 37 ILE CA C 37 61.061 60.624 0.437 1
1 395 . 14 1 1 A 37 37 ILE CB C 37 39.355 38.350 1.005 1
1 399 . 14 1 1 A 37 37 ILE N N 37 122.186 120.987 1.199 1
1 400 . 14 1 1 A 38 38 SER H H 38 9.422 8.831 0.591 1
1 401 . 14 1 1 A 38 38 SER HA H 38 5.297 4.908 0.389 1
1 404 . 14 1 1 A 38 38 SER C C 38 172.177 172.459 -0.282 1
1 405 . 14 1 1 A 38 38 SER CA C 38 56.910 56.947 -0.037 1
1 406 . 14 1 1 A 38 38 SER CB C 38 66.018 63.919 2.099 1
1 407 . 14 1 1 A 38 38 SER N N 38 122.548 124.639 -2.091 1
1 408 . 14 1 1 A 39 39 TYR H H 39 7.649 8.138 -0.489 1
1 409 . 14 1 1 A 39 39 TYR HA H 39 6.025 5.676 0.349 1
1 416 . 14 1 1 A 39 39 TYR C C 39 173.937 174.230 -0.293 1
1 417 . 14 1 1 A 39 39 TYR CA C 39 54.144 55.239 -1.095 1
1 418 . 14 1 1 A 39 39 TYR CB C 39 41.722 41.463 0.259 1
1 423 . 14 1 1 A 39 39 TYR N N 39 116.176 124.449 -8.273 1
1 424 . 14 1 1 A 40 40 TYR H H 40 9.647 8.719 0.928 1
1 425 . 14 1 1 A 40 40 TYR HA H 40 5.044 5.210 -0.166 1
1 432 . 14 1 1 A 40 40 TYR CA C 40 56.928 56.865 0.063 1
1 433 . 14 1 1 A 40 40 TYR CB C 40 43.678 43.163 0.515 1
1 438 . 14 1 1 A 40 40 TYR N N 40 118.964 120.653 -1.689 1
1 439 . 14 1 1 A 41 41 ASN H H 41 7.712 8.998 -1.286 1
1 440 . 14 1 1 A 41 41 ASN HA H 41 4.867 5.776 -0.909 1
1 445 . 14 1 1 A 41 41 ASN CB C 41 39.279 43.148 -3.869 1
1 446 . 14 1 1 A 41 41 ASN N N 41 109.731 118.901 -9.170 1
1 448 . 14 1 1 A 42 42 ASN H H 42 9.215 8.791 0.424 1
1 449 . 14 1 1 A 42 42 ASN HA H 42 4.868 5.144 -0.276 1
1 452 . 14 1 1 A 42 42 ASN CA C 42 52.812 52.871 -0.059 1
1 453 . 14 1 1 A 42 42 ASN CB C 42 39.180 39.298 -0.118 1
1 458 . 14 1 1 A 44 44 LYS CB C 44 35.364 33.329 2.035 1
1 460 . 14 1 1 A 46 46 MET H H 46 8.285 8.698 -0.413 1
1 461 . 14 1 1 A 46 46 MET HA H 46 4.218 5.148 -0.930 1
1 466 . 14 1 1 A 46 46 MET CA C 46 56.523 54.773 1.750 1
1 467 . 14 1 1 A 46 46 MET CB C 46 33.665 35.673 -2.008 1
1 469 . 14 1 1 A 47 47 TYR H H 47 7.965 8.824 -0.859 1
1 470 . 14 1 1 A 47 47 TYR HA H 47 4.935 5.242 -0.307 1
1 477 . 14 1 1 A 47 47 TYR CA C 47 55.861 56.825 -0.964 1
1 478 . 14 1 1 A 47 47 TYR CB C 47 38.476 40.819 -2.343 1
1 483 . 14 1 1 A 47 47 TYR N N 47 117.521 121.994 -4.473 1
1 484 . 14 1 1 A 49 49 LYS H H 49 8.704 8.575 0.129 1
1 485 . 14 1 1 A 49 49 LYS HA H 49 4.369 5.115 -0.746 1
1 494 . 14 1 1 A 49 49 LYS CA C 49 54.891 54.738 0.153 1
1 495 . 14 1 1 A 49 49 LYS CB C 49 32.501 34.634 -2.133 1
1 499 . 14 1 1 A 50 50 GLY H H 50 6.985 8.341 -1.356 1
1 500 . 14 1 1 A 50 50 GLY HA2 H 50 3.825 3.762 0.063 1
1 501 . 14 1 1 A 50 50 GLY HA3 H 50 3.265 4.164 -0.899 1
1 502 . 14 1 1 A 50 50 GLY C C 50 170.241 172.261 -2.020 1
1 503 . 14 1 1 A 50 50 GLY CA C 50 45.039 45.515 -0.476 1
1 504 . 14 1 1 A 50 50 GLY N N 50 108.097 110.772 -2.675 1
1 505 . 14 1 1 A 51 51 ILE H H 51 7.890 8.792 -0.902 1
1 506 . 14 1 1 A 51 51 ILE HA H 51 4.777 5.086 -0.309 1
1 516 . 14 1 1 A 51 51 ILE C C 51 175.026 173.335 1.691 1
1 517 . 14 1 1 A 51 51 ILE CA C 51 60.217 58.969 1.248 1
1 518 . 14 1 1 A 51 51 ILE CB C 51 42.388 42.054 0.334 1
1 522 . 14 1 1 A 51 51 ILE N N 51 117.769 122.220 -4.451 1
1 523 . 14 1 1 A 52 52 ILE H H 52 9.485 9.061 0.424 1
1 524 . 14 1 1 A 52 52 ILE HA H 52 4.533 4.646 -0.113 1
1 534 . 14 1 1 A 52 52 ILE C C 52 173.526 174.730 -1.204 1
1 535 . 14 1 1 A 52 52 ILE CA C 52 57.983 57.751 0.232 1
1 536 . 14 1 1 A 52 52 ILE CB C 52 40.324 39.319 1.005 1
1 540 . 14 1 1 A 52 52 ILE N N 52 127.899 128.432 -0.533 1
1 541 . 14 1 1 A 53 53 PRO HA H 53 4.501 4.730 -0.229 1
1 548 . 14 1 1 A 53 53 PRO C C 53 177.663 178.039 -0.376 1
1 549 . 14 1 1 A 53 53 PRO CA C 53 62.838 62.938 -0.100 1
1 550 . 14 1 1 A 53 53 PRO CB C 53 31.939 31.747 0.192 1
1 553 . 14 1 1 A 54 54 LEU H H 54 8.647 8.541 0.106 1
1 554 . 14 1 1 A 54 54 LEU HA H 54 3.985 4.082 -0.097 1
1 564 . 14 1 1 A 54 54 LEU C C 54 178.940 178.241 0.699 1
1 565 . 14 1 1 A 54 54 LEU CA C 54 58.371 58.087 0.284 1
1 566 . 14 1 1 A 54 54 LEU CB C 54 42.388 41.978 0.410 1
1 570 . 14 1 1 A 54 54 LEU N N 54 124.847 126.996 -2.149 1
1 571 . 14 1 1 A 55 55 SER H H 55 8.278 8.436 -0.158 1
1 572 . 14 1 1 A 55 55 SER HA H 55 4.169 4.154 0.015 1
1 575 . 14 1 1 A 55 55 SER C C 55 174.956 176.710 -1.754 1
1 576 . 14 1 1 A 55 55 SER CA C 55 59.971 61.292 -1.321 1
1 577 . 14 1 1 A 55 55 SER CB C 55 62.721 62.335 0.386 1
1 578 . 14 1 1 A 55 55 SER N N 55 109.639 113.830 -4.191 1
1 579 . 14 1 1 A 56 56 ALA H H 56 7.796 8.246 -0.450 1
1 580 . 14 1 1 A 56 56 ALA HA H 56 4.545 4.213 0.332 1
1 584 . 14 1 1 A 56 56 ALA C C 56 177.505 178.791 -1.286 1
1 585 . 14 1 1 A 56 56 ALA CA C 56 52.022 55.414 -3.392 1
1 586 . 14 1 1 A 56 56 ALA CB C 56 20.240 18.499 1.741 1
1 587 . 14 1 1 A 56 56 ALA N N 56 123.057 122.214 0.843 1
1 588 . 14 1 1 A 57 57 ILE H H 57 7.664 7.681 -0.017 1
1 589 . 14 1 1 A 57 57 ILE HA H 57 4.035 4.441 -0.406 1
1 599 . 14 1 1 A 57 57 ILE C C 57 175.285 176.007 -0.722 1
1 600 . 14 1 1 A 57 57 ILE CA C 57 62.697 62.583 0.114 1
1 601 . 14 1 1 A 57 57 ILE CB C 57 38.474 38.049 0.425 1
1 605 . 14 1 1 A 57 57 ILE N N 57 119.512 118.593 0.919 1
1 606 . 14 1 1 A 58 58 SER H H 58 9.364 8.991 0.373 1
1 607 . 14 1 1 A 58 58 SER HA H 58 4.526 4.571 -0.045 1
1 610 . 14 1 1 A 58 58 SER C C 58 175.125 173.517 1.608 1
1 611 . 14 1 1 A 58 58 SER CA C 58 59.215 59.715 -0.500 1
1 612 . 14 1 1 A 58 58 SER CB C 58 63.590 65.133 -1.543 1
1 613 . 14 1 1 A 58 58 SER N N 58 122.513 123.143 -0.630 1
1 614 . 14 1 1 A 59 59 THR H H 59 7.502 7.671 -0.169 1
1 615 . 14 1 1 A 59 59 THR HA H 59 4.355 4.638 -0.283 1
1 620 . 14 1 1 A 59 59 THR C C 59 170.784 171.762 -0.978 1
1 621 . 14 1 1 A 59 59 THR CA C 59 61.132 61.183 -0.051 1
1 622 . 14 1 1 A 59 59 THR CB C 59 68.686 71.358 -2.672 1
1 624 . 14 1 1 A 59 59 THR N N 59 112.470 112.971 -0.501 1
1 625 . 14 1 1 A 60 60 VAL H H 60 7.766 8.768 -1.002 1
1 626 . 14 1 1 A 60 60 VAL HA H 60 5.326 5.109 0.217 1
1 634 . 14 1 1 A 60 60 VAL C C 60 174.166 174.163 0.003 1
1 635 . 14 1 1 A 60 60 VAL CA C 60 60.410 60.951 -0.541 1
1 636 . 14 1 1 A 60 60 VAL CB C 60 34.979 34.033 0.946 1
1 639 . 14 1 1 A 60 60 VAL N N 60 121.276 126.612 -5.336 1
1 640 . 14 1 1 A 61 61 ARG H H 61 8.941 8.797 0.144 1
1 641 . 14 1 1 A 61 61 ARG HA H 61 5.053 4.997 0.056 1
1 648 . 14 1 1 A 61 61 ARG C C 61 175.460 174.884 0.576 1
1 649 . 14 1 1 A 61 61 ARG CA C 61 54.166 53.822 0.344 1
1 650 . 14 1 1 A 61 61 ARG CB C 61 34.000 33.977 0.023 1
1 653 . 14 1 1 A 61 61 ARG N N 61 121.101 124.189 -3.088 1
1 654 . 14 1 1 A 62 62 VAL H H 62 8.627 8.544 0.083 1
1 655 . 14 1 1 A 62 62 VAL HA H 62 4.195 4.729 -0.534 1
1 663 . 14 1 1 A 62 62 VAL C C 62 175.216 174.926 0.290 1
1 664 . 14 1 1 A 62 62 VAL CA C 62 62.926 61.333 1.593 1
1 665 . 14 1 1 A 62 62 VAL CB C 62 33.459 33.259 0.200 1
1 668 . 14 1 1 A 62 62 VAL N N 62 118.451 117.736 0.715 1
1 669 . 14 1 1 A 63 63 GLN H H 63 7.628 8.808 -1.180 1
1 670 . 14 1 1 A 63 63 GLN HA H 63 4.575 4.657 -0.082 1
1 677 . 14 1 1 A 63 63 GLN C C 63 174.418 175.251 -0.833 1
1 678 . 14 1 1 A 63 63 GLN CA C 63 55.451 55.357 0.094 1
1 679 . 14 1 1 A 63 63 GLN CB C 63 32.062 31.455 0.607 1
1 681 . 14 1 1 A 63 63 GLN N N 63 123.160 124.061 -0.901 1
1 683 . 14 1 1 A 64 64 GLY H H 64 8.678 8.591 0.087 1
1 684 . 14 1 1 A 64 64 GLY HA2 H 64 4.025 4.023 0.002 1
1 685 . 14 1 1 A 64 64 GLY HA3 H 64 3.895 4.027 -0.132 1
1 686 . 14 1 1 A 64 64 GLY C C 64 174.592 173.064 1.528 1
1 687 . 14 1 1 A 64 64 GLY CA C 64 45.531 44.593 0.938 1
1 688 . 14 1 1 A 64 64 GLY N N 64 112.406 114.750 -2.344 1
1 689 . 14 1 1 A 65 65 ASP HA H 65 4.625 4.671 -0.046 1
1 692 . 14 1 1 A 65 65 ASP C C 65 176.902 176.320 0.582 1
1 693 . 14 1 1 A 65 65 ASP CA C 65 55.486 54.395 1.091 1
1 694 . 14 1 1 A 65 65 ASP CB C 65 40.817 41.173 -0.356 1
1 695 . 14 1 1 A 66 66 ASN H H 66 7.979 8.971 -0.992 1
1 696 . 14 1 1 A 66 66 ASN HA H 66 4.554 4.302 0.252 1
1 701 . 14 1 1 A 66 66 ASN C C 66 174.456 173.992 0.464 1
1 702 . 14 1 1 A 66 66 ASN CA C 66 52.795 54.401 -1.606 1
1 703 . 14 1 1 A 66 66 ASN CB C 66 37.981 37.010 0.971 1
1 704 . 14 1 1 A 66 66 ASN N N 66 112.071 119.504 -7.433 1
1 706 . 14 1 1 A 67 67 LYS H H 67 7.476 7.445 0.031 1
1 707 . 14 1 1 A 67 67 LYS HA H 67 5.914 5.068 0.846 1
1 716 . 14 1 1 A 67 67 LYS C C 67 177.922 175.428 2.494 1
1 717 . 14 1 1 A 67 67 LYS CA C 67 54.906 54.574 0.332 1
1 718 . 14 1 1 A 67 67 LYS CB C 67 36.707 36.947 -0.240 1
1 722 . 14 1 1 A 67 67 LYS N N 67 115.613 116.774 -1.161 1
1 723 . 14 1 1 A 68 68 PHE H H 68 9.227 8.336 0.891 1
1 724 . 14 1 1 A 68 68 PHE HA H 68 5.296 5.304 -0.008 1
1 732 . 14 1 1 A 68 68 PHE C C 68 171.230 172.150 -0.920 1
1 733 . 14 1 1 A 68 68 PHE CA C 68 56.576 55.527 1.049 1
1 734 . 14 1 1 A 68 68 PHE CB C 68 42.790 42.261 0.529 1
1 740 . 14 1 1 A 68 68 PHE N N 68 117.009 117.280 -0.271 1
1 741 . 14 1 1 A 69 69 GLU H H 69 9.527 9.363 0.164 1
1 742 . 14 1 1 A 69 69 GLU HA H 69 5.434 4.917 0.517 1
1 747 . 14 1 1 A 69 69 GLU C C 69 175.659 175.521 0.138 1
1 748 . 14 1 1 A 69 69 GLU CA C 69 53.429 55.023 -1.594 1
1 749 . 14 1 1 A 69 69 GLU CB C 69 33.460 32.677 0.783 1
1 751 . 14 1 1 A 69 69 GLU N N 69 119.470 120.462 -0.992 1
1 752 . 14 1 1 A 70 70 VAL H H 70 9.486 8.844 0.642 1
1 753 . 14 1 1 A 70 70 VAL HA H 70 4.486 4.608 -0.122 1
1 761 . 14 1 1 A 70 70 VAL C C 70 174.403 175.632 -1.229 1
1 762 . 14 1 1 A 70 70 VAL CA C 70 62.240 61.997 0.243 1
1 763 . 14 1 1 A 70 70 VAL CB C 70 33.706 31.761 1.945 1
1 766 . 14 1 1 A 70 70 VAL N N 70 123.935 127.380 -3.445 1
1 767 . 14 1 1 A 71 71 VAL H H 71 8.658 8.474 0.184 1
1 768 . 14 1 1 A 71 71 VAL HA H 71 4.345 4.378 -0.033 1
1 776 . 14 1 1 A 71 71 VAL C C 71 175.524 175.630 -0.106 1
1 777 . 14 1 1 A 71 71 VAL CA C 71 63.365 62.895 0.470 1
1 778 . 14 1 1 A 71 71 VAL CB C 71 32.802 32.236 0.566 1
1 781 . 14 1 1 A 71 71 VAL N N 71 129.195 128.212 0.983 1
1 782 . 14 1 1 A 72 72 THR H H 72 8.134 8.427 -0.293 1
1 783 . 14 1 1 A 72 72 THR HA H 72 5.515 5.194 0.321 1
1 788 . 14 1 1 A 72 72 THR C C 72 174.609 174.242 0.367 1
1 789 . 14 1 1 A 72 72 THR CA C 72 59.496 59.971 -0.475 1
1 790 . 14 1 1 A 72 72 THR CB C 72 72.139 71.591 0.548 1
1 792 . 14 1 1 A 72 72 THR N N 72 117.639 117.317 0.322 1
1 793 . 14 1 1 A 73 73 THR H H 73 8.944 9.180 -0.236 1
1 794 . 14 1 1 A 73 73 THR HA H 73 3.966 3.919 0.047 1
1 799 . 14 1 1 A 73 73 THR C C 73 175.783 176.383 -0.600 1
1 800 . 14 1 1 A 73 73 THR CA C 73 65.880 66.552 -0.672 1
1 801 . 14 1 1 A 73 73 THR CB C 73 68.604 68.677 -0.073 1
1 803 . 14 1 1 A 73 73 THR N N 73 114.027 117.364 -3.337 1
1 804 . 14 1 1 A 74 74 GLN H H 74 7.997 7.834 0.163 1
1 805 . 14 1 1 A 74 74 GLN HA H 74 4.350 4.258 0.092 1
1 812 . 14 1 1 A 74 74 GLN C C 74 175.698 176.182 -0.484 1
1 813 . 14 1 1 A 74 74 GLN CA C 74 56.910 58.134 -1.224 1
1 814 . 14 1 1 A 74 74 GLN CB C 74 30.624 29.387 1.237 1
1 816 . 14 1 1 A 74 74 GLN N N 74 115.670 118.571 -2.901 1
1 818 . 14 1 1 A 75 75 ARG H H 75 7.366 7.328 0.038 1
1 819 . 14 1 1 A 75 75 ARG HA H 75 4.395 4.557 -0.162 1
1 826 . 14 1 1 A 75 75 ARG C C 75 174.546 174.710 -0.164 1
1 827 . 14 1 1 A 75 75 ARG CA C 75 55.802 55.035 0.767 1
1 828 . 14 1 1 A 75 75 ARG CB C 75 32.514 33.023 -0.509 1
1 831 . 14 1 1 A 75 75 ARG N N 75 115.650 113.236 2.414 1
1 832 . 14 1 1 A 76 76 THR H H 76 8.679 8.550 0.129 1
1 833 . 14 1 1 A 76 76 THR HA H 76 5.065 4.278 0.787 1
1 838 . 14 1 1 A 76 76 THR C C 76 173.239 174.278 -1.039 1
1 839 . 14 1 1 A 76 76 THR CA C 76 61.888 64.145 -2.257 1
1 840 . 14 1 1 A 76 76 THR CB C 76 69.878 69.518 0.360 1
1 842 . 14 1 1 A 76 76 THR N N 76 120.285 117.736 2.549 1
1 843 . 14 1 1 A 77 77 PHE H H 77 9.156 9.548 -0.392 1
1 844 . 14 1 1 A 77 77 PHE HA H 77 4.385 5.126 -0.741 1
1 852 . 14 1 1 A 77 77 PHE C C 77 174.028 174.623 -0.595 1
1 853 . 14 1 1 A 77 77 PHE CA C 77 56.822 56.007 0.815 1
1 854 . 14 1 1 A 77 77 PHE CB C 77 41.640 43.030 -1.390 1
1 860 . 14 1 1 A 77 77 PHE N N 77 127.212 126.334 0.878 1
1 861 . 14 1 1 A 78 78 VAL H H 78 8.374 8.355 0.019 1
1 862 . 14 1 1 A 78 78 VAL HA H 78 4.506 4.674 -0.168 1
1 870 . 14 1 1 A 78 78 VAL C C 78 173.264 174.490 -1.226 1
1 871 . 14 1 1 A 78 78 VAL CA C 78 61.730 60.734 0.996 1
1 872 . 14 1 1 A 78 78 VAL CB C 78 33.254 35.817 -2.563 1
1 875 . 14 1 1 A 78 78 VAL N N 78 123.393 119.113 4.280 1
1 876 . 14 1 1 A 79 79 PHE H H 79 8.458 8.240 0.218 1
1 877 . 14 1 1 A 79 79 PHE HA H 79 5.403 4.887 0.516 1
1 885 . 14 1 1 A 79 79 PHE C C 79 173.855 173.598 0.257 1
1 886 . 14 1 1 A 79 79 PHE CA C 79 55.151 55.564 -0.413 1
1 887 . 14 1 1 A 79 79 PHE CB C 79 42.913 43.286 -0.373 1
1 893 . 14 1 1 A 79 79 PHE N N 79 123.801 124.561 -0.760 1
1 894 . 14 1 1 A 80 80 ARG H H 80 9.407 8.210 1.197 1
1 895 . 14 1 1 A 80 80 ARG HA H 80 5.134 4.986 0.148 1
1 902 . 14 1 1 A 80 80 ARG C C 80 174.634 175.104 -0.470 1
1 903 . 14 1 1 A 80 80 ARG CA C 80 54.431 53.907 0.524 1
1 904 . 14 1 1 A 80 80 ARG CB C 80 35.227 33.853 1.374 1
1 907 . 14 1 1 A 80 80 ARG N N 80 121.570 121.703 -0.133 1
1 908 . 14 1 1 A 81 81 VAL H H 81 8.544 8.409 0.135 1
1 909 . 14 1 1 A 81 81 VAL HA H 81 4.708 4.808 -0.100 1
1 917 . 14 1 1 A 81 81 VAL C C 81 175.050 175.743 -0.693 1
1 918 . 14 1 1 A 81 81 VAL CA C 81 59.602 59.560 0.042 1
1 919 . 14 1 1 A 81 81 VAL CB C 81 33.706 34.547 -0.841 1
1 922 . 14 1 1 A 81 81 VAL N N 81 122.128 120.754 1.374 1
1 923 . 14 1 1 A 82 82 GLU H H 82 8.549 9.158 -0.609 1
1 924 . 14 1 1 A 82 82 GLU HA H 82 4.132 4.452 -0.320 1
1 929 . 14 1 1 A 82 82 GLU C C 82 176.909 175.548 1.361 1
1 930 . 14 1 1 A 82 82 GLU CA C 82 58.973 57.030 1.943 1
1 931 . 14 1 1 A 82 82 GLU CB C 82 30.582 31.370 -0.788 1
1 933 . 14 1 1 A 82 82 GLU N N 82 121.776 121.787 -0.011 1
1 934 . 14 1 1 A 83 83 LYS H H 83 7.618 7.566 0.052 1
1 935 . 14 1 1 A 83 83 LYS HA H 83 4.708 4.728 -0.020 1
1 944 . 14 1 1 A 83 83 LYS C C 83 176.665 176.448 0.217 1
1 945 . 14 1 1 A 83 83 LYS CA C 83 54.694 54.714 -0.020 1
1 946 . 14 1 1 A 83 83 LYS CB C 83 34.775 36.116 -1.341 1
1 950 . 14 1 1 A 83 83 LYS N N 83 115.778 118.023 -2.245 1
1 951 . 14 1 1 A 84 84 GLU H H 84 9.150 8.906 0.244 1
1 952 . 14 1 1 A 84 84 GLU HA H 84 3.953 3.924 0.029 1
1 957 . 14 1 1 A 84 84 GLU C C 84 178.243 178.140 0.103 1
1 958 . 14 1 1 A 84 84 GLU CA C 84 60.217 60.384 -0.167 1
1 959 . 14 1 1 A 84 84 GLU CB C 84 29.843 29.484 0.359 1
1 961 . 14 1 1 A 84 84 GLU N N 84 127.798 124.624 3.174 1
1 962 . 14 1 1 A 85 85 GLU H H 85 9.626 8.325 1.301 1
1 963 . 14 1 1 A 85 85 GLU HA H 85 4.100 3.987 0.113 1
1 968 . 14 1 1 A 85 85 GLU C C 85 178.948 179.147 -0.199 1
1 969 . 14 1 1 A 85 85 GLU CA C 85 59.847 59.424 0.423 1
1 970 . 14 1 1 A 85 85 GLU CB C 85 28.897 29.147 -0.250 1
1 972 . 14 1 1 A 85 85 GLU N N 85 117.844 117.980 -0.136 1
1 973 . 14 1 1 A 86 86 GLU H H 86 7.257 8.482 -1.225 1
1 974 . 14 1 1 A 86 86 GLU HA H 86 4.365 3.964 0.401 1
1 979 . 14 1 1 A 86 86 GLU C C 86 178.607 178.958 -0.351 1
1 980 . 14 1 1 A 86 86 GLU CA C 86 58.089 59.443 -1.354 1
1 981 . 14 1 1 A 86 86 GLU CB C 86 30.212 29.274 0.938 1
1 983 . 14 1 1 A 86 86 GLU N N 86 118.075 120.165 -2.090 1
1 984 . 14 1 1 A 87 87 ARG H H 87 7.919 7.542 0.377 1
1 985 . 14 1 1 A 87 87 ARG HA H 87 3.838 3.861 -0.023 1
1 992 . 14 1 1 A 87 87 ARG C C 87 177.977 178.897 -0.920 1
1 993 . 14 1 1 A 87 87 ARG CA C 87 60.815 59.385 1.430 1
1 994 . 14 1 1 A 87 87 ARG CB C 87 28.856 30.031 -1.175 1
1 997 . 14 1 1 A 87 87 ARG N N 87 121.287 120.903 0.384 1
1 998 . 14 1 1 A 88 88 ASN H H 88 8.421 7.745 0.676 1
1 999 . 14 1 1 A 88 88 ASN HA H 88 4.295 4.420 -0.125 1
1 1004 . 14 1 1 A 88 88 ASN C C 88 177.423 177.545 -0.122 1
1 1005 . 14 1 1 A 88 88 ASN CA C 88 55.627 56.399 -0.772 1
1 1006 . 14 1 1 A 88 88 ASN CB C 88 37.136 38.135 -0.999 1
1 1007 . 14 1 1 A 88 88 ASN N N 88 116.926 117.224 -0.298 1
1 1009 . 14 1 1 A 89 89 ASP H H 89 7.790 8.030 -0.240 1
1 1010 . 14 1 1 A 89 89 ASP HA H 89 4.389 4.199 0.190 1
1 1013 . 14 1 1 A 89 89 ASP C C 89 177.683 178.101 -0.418 1
1 1014 . 14 1 1 A 89 89 ASP CA C 89 57.737 57.180 0.557 1
1 1015 . 14 1 1 A 89 89 ASP CB C 89 41.352 40.752 0.600 1
1 1016 . 14 1 1 A 89 89 ASP N N 89 121.867 118.846 3.021 1
1 1017 . 14 1 1 A 90 90 TRP H H 90 7.690 8.275 -0.585 1
1 1018 . 14 1 1 A 90 90 TRP HA H 90 3.666 4.210 -0.544 1
1 1027 . 14 1 1 A 90 90 TRP C C 90 177.880 178.632 -0.752 1
1 1028 . 14 1 1 A 90 90 TRP CA C 90 61.704 59.865 1.839 1
1 1029 . 14 1 1 A 90 90 TRP CB C 90 29.594 29.362 0.232 1
1 1035 . 14 1 1 A 90 90 TRP N N 90 117.617 119.260 -1.643 1
1 1037 . 14 1 1 A 91 91 ILE H H 91 7.654 8.054 -0.400 1
1 1038 . 14 1 1 A 91 91 ILE HA H 91 3.275 3.608 -0.333 1
1 1048 . 14 1 1 A 91 91 ILE C C 91 177.138 177.775 -0.637 1
1 1049 . 14 1 1 A 91 91 ILE CA C 91 65.001 65.356 -0.355 1
1 1050 . 14 1 1 A 91 91 ILE CB C 91 36.913 37.614 -0.701 1
1 1054 . 14 1 1 A 91 91 ILE N N 91 114.248 120.346 -6.098 1
1 1055 . 14 1 1 A 92 92 SER H H 92 8.055 8.300 -0.245 1
1 1056 . 14 1 1 A 92 92 SER HA H 92 4.045 4.041 0.004 1
1 1059 . 14 1 1 A 92 92 SER C C 92 177.204 176.212 0.992 1
1 1060 . 14 1 1 A 92 92 SER CA C 92 61.923 62.258 -0.335 1
1 1061 . 14 1 1 A 92 92 SER CB C 92 62.767 62.869 -0.102 1
1 1062 . 14 1 1 A 92 92 SER N N 92 114.018 115.575 -1.557 1
1 1063 . 14 1 1 A 93 93 ILE H H 93 7.926 8.087 -0.161 1
1 1064 . 14 1 1 A 93 93 ILE HA H 93 3.795 3.641 0.154 1
1 1074 . 14 1 1 A 93 93 ILE C C 93 178.947 177.925 1.022 1
1 1075 . 14 1 1 A 93 93 ILE CA C 93 64.825 65.464 -0.639 1
1 1076 . 14 1 1 A 93 93 ILE CB C 93 37.693 38.093 -0.400 1
1 1080 . 14 1 1 A 93 93 ILE N N 93 120.974 121.310 -0.336 1
1 1081 . 14 1 1 A 94 94 LEU H H 94 7.678 8.163 -0.485 1
1 1082 . 14 1 1 A 94 94 LEU HA H 94 3.634 3.777 -0.143 1
1 1092 . 14 1 1 A 94 94 LEU C C 94 178.551 178.494 0.057 1
1 1093 . 14 1 1 A 94 94 LEU CA C 94 57.861 57.928 -0.067 1
1 1094 . 14 1 1 A 94 94 LEU CB C 94 42.356 41.786 0.570 1
1 1098 . 14 1 1 A 94 94 LEU N N 94 121.223 119.419 1.804 1
1 1099 . 14 1 1 A 95 95 LEU H H 95 8.954 8.323 0.631 1
1 1100 . 14 1 1 A 95 95 LEU HA H 95 4.037 3.956 0.081 1
1 1110 . 14 1 1 A 95 95 LEU C C 95 180.858 179.681 1.177 1
1 1111 . 14 1 1 A 95 95 LEU CA C 95 58.194 57.823 0.371 1
1 1112 . 14 1 1 A 95 95 LEU CB C 95 41.286 41.560 -0.274 1
1 1116 . 14 1 1 A 95 95 LEU N N 95 118.177 117.448 0.729 1
1 1117 . 14 1 1 A 96 96 ASN H H 96 8.235 8.087 0.148 1
1 1118 . 14 1 1 A 96 96 ASN HA H 96 4.445 4.527 -0.082 1
1 1123 . 14 1 1 A 96 96 ASN C C 96 177.901 177.979 -0.078 1
1 1124 . 14 1 1 A 96 96 ASN CA C 96 56.347 56.202 0.145 1
1 1125 . 14 1 1 A 96 96 ASN CB C 96 38.105 38.089 0.016 1
1 1126 . 14 1 1 A 96 96 ASN N N 96 117.502 118.138 -0.636 1
1 1128 . 14 1 1 A 97 97 ALA H H 97 7.756 8.196 -0.440 1
1 1129 . 14 1 1 A 97 97 ALA HA H 97 4.305 4.124 0.181 1
1 1133 . 14 1 1 A 97 97 ALA C C 97 180.315 179.815 0.500 1
1 1134 . 14 1 1 A 97 97 ALA CA C 97 54.906 55.178 -0.272 1
1 1135 . 14 1 1 A 97 97 ALA CB C 97 19.214 18.547 0.667 1
1 1136 . 14 1 1 A 97 97 ALA N N 97 123.457 123.399 0.058 1
1 1137 . 14 1 1 A 98 98 LEU H H 98 8.335 8.358 -0.023 1
1 1138 . 14 1 1 A 98 98 LEU HA H 98 4.055 3.974 0.081 1
1 1148 . 14 1 1 A 98 98 LEU C C 98 179.542 179.384 0.158 1
1 1149 . 14 1 1 A 98 98 LEU CA C 98 57.578 58.211 -0.633 1
1 1150 . 14 1 1 A 98 98 LEU CB C 98 42.174 41.805 0.369 1
1 1154 . 14 1 1 A 98 98 LEU N N 98 119.610 118.811 0.799 1
1 1155 . 14 1 1 A 99 99 LYS H H 99 7.969 7.695 0.274 1
1 1156 . 14 1 1 A 99 99 LYS HA H 99 4.203 3.932 0.271 1
1 1165 . 14 1 1 A 99 99 LYS C C 99 178.392 178.786 -0.394 1
1 1166 . 14 1 1 A 99 99 LYS CA C 99 58.563 60.119 -1.556 1
1 1167 . 14 1 1 A 99 99 LYS CB C 99 32.267 32.316 -0.049 1
1 1171 . 14 1 1 A 99 99 LYS N N 99 119.323 117.810 1.513 1
1 1172 . 14 1 1 A 100 100 SER H H 100 7.854 7.580 0.274 1
1 1173 . 14 1 1 A 100 100 SER HA H 100 4.404 4.092 0.312 1
1 1176 . 14 1 1 A 100 100 SER C C 100 175.449 177.328 -1.879 1
1 1177 . 14 1 1 A 100 100 SER CA C 100 60.076 61.656 -1.580 1
1 1178 . 14 1 1 A 100 100 SER CB C 100 63.600 62.977 0.623 1
1 1179 . 14 1 1 A 100 100 SER N N 100 114.116 114.167 -0.051 1
1 1180 . 14 1 1 A 101 101 GLN H H 101 7.863 7.842 0.021 1
1 1181 . 14 1 1 A 101 101 GLN HA H 101 4.294 4.043 0.251 1
1 1188 . 14 1 1 A 101 101 GLN C C 101 176.613 177.333 -0.720 1
1 1189 . 14 1 1 A 101 101 GLN CA C 101 57.121 59.290 -2.169 1
1 1190 . 14 1 1 A 101 101 GLN CB C 101 29.761 28.224 1.537 1
1 1192 . 14 1 1 A 101 101 GLN N N 101 120.923 121.179 -0.256 1
1 1194 . 14 1 1 A 102 102 SER H H 102 8.170 7.785 0.385 1
1 1195 . 14 1 1 A 102 102 SER HA H 102 4.445 4.440 0.005 1
1 1198 . 14 1 1 A 102 102 SER C C 102 175.030 173.454 1.576 1
1 1199 . 14 1 1 A 102 102 SER CA C 102 59.162 57.507 1.655 1
1 1200 . 14 1 1 A 102 102 SER CB C 102 63.466 63.398 0.068 1
1 1201 . 14 1 1 A 102 102 SER N N 102 115.689 114.112 1.577 1
1 1202 . 14 1 1 A 103 103 LEU H H 103 8.111 8.519 -0.408 1
1 1203 . 14 1 1 A 103 103 LEU HA H 103 4.400 4.765 -0.365 1
1 1213 . 14 1 1 A 103 103 LEU C C 103 178.263 176.755 1.508 1
1 1214 . 14 1 1 A 103 103 LEU CA C 103 55.908 53.252 2.656 1
1 1215 . 14 1 1 A 103 103 LEU CB C 103 42.215 44.887 -2.672 1
1 1219 . 14 1 1 A 103 103 LEU N N 103 123.252 128.951 -5.699 1
1 1220 . 14 1 1 A 104 104 THR H H 104 8.064 8.900 -0.836 1
1 1221 . 14 1 1 A 104 104 THR HA H 104 4.354 3.977 0.377 1
1 1226 . 14 1 1 A 104 104 THR C C 104 175.092 173.871 1.221 1
1 1227 . 14 1 1 A 104 104 THR CA C 104 62.368 62.925 -0.557 1
1 1228 . 14 1 1 A 104 104 THR CB C 104 69.673 67.266 2.407 1
1 1230 . 14 1 1 A 104 104 THR N N 104 113.441 117.188 -3.747 1
1 1231 . 14 1 1 A 105 105 SER H H 105 8.231 7.846 0.385 1
1 1232 . 14 1 1 A 105 105 SER C C 105 177.959 173.208 4.751 1
1 1233 . 14 1 1 A 105 105 SER CA C 105 58.406 56.246 2.160 1
1 1234 . 14 1 1 A 105 105 SER CB C 105 63.507 65.656 -2.149 1
1 1235 . 14 1 1 A 105 105 SER N N 105 117.638 116.239 1.399 1
1 1236 . 14 1 1 A 106 106 GLN HA H 106 4.365 4.183 0.182 1
1 1239 . 14 1 1 A 106 106 GLN C C 106 176.322 175.425 0.897 1
1 1240 . 14 1 1 A 106 106 GLN CA C 106 56.189 56.117 0.072 1
1 1241 . 14 1 1 A 106 106 GLN CB C 106 29.226 28.896 0.330 1
1 1243 . 14 1 1 A 107 107 SER H H 107 8.287 8.369 -0.082 1
1 1244 . 14 1 1 A 107 107 SER HA H 107 4.404 4.391 0.013 1
1 1246 . 14 1 1 A 107 107 SER C C 107 174.687 174.514 0.173 1
1 1247 . 14 1 1 A 107 107 SER CA C 107 58.722 60.184 -1.462 1
1 1248 . 14 1 1 A 107 107 SER CB C 107 63.713 63.125 0.588 1
1 1249 . 14 1 1 A 107 107 SER N N 107 116.578 118.141 -1.563 1
1 1250 . 14 1 1 A 108 108 GLN H H 108 8.354 8.503 -0.149 1
1 1251 . 14 1 1 A 108 108 GLN HA H 108 4.349 4.763 -0.414 1
1 1258 . 14 1 1 A 108 108 GLN C C 108 175.798 174.205 1.593 1
1 1259 . 14 1 1 A 108 108 GLN CA C 108 55.820 54.719 1.101 1
1 1260 . 14 1 1 A 108 108 GLN CB C 108 29.432 32.643 -3.211 1
1 1262 . 14 1 1 A 108 108 GLN N N 108 122.015 125.208 -3.193 1
1 1264 . 14 1 1 A 109 109 ALA H H 109 8.301 8.387 -0.086 1
1 1265 . 14 1 1 A 109 109 ALA HA H 109 4.345 4.214 0.131 1
1 1269 . 14 1 1 A 109 109 ALA C C 109 177.749 177.240 0.509 1
1 1270 . 14 1 1 A 109 109 ALA CA C 109 52.672 53.160 -0.488 1
1 1271 . 14 1 1 A 109 109 ALA CB C 109 19.237 18.579 0.658 1
1 1272 . 14 1 1 A 109 109 ALA N N 109 125.243 126.180 -0.937 1
1 1273 . 14 1 1 A 110 110 SER H H 110 8.290 8.725 -0.435 1
1 1274 . 14 1 1 A 110 110 SER HA H 110 4.459 4.915 -0.456 1
1 1277 . 14 1 1 A 110 110 SER C C 110 174.593 172.776 1.817 1
1 1278 . 14 1 1 A 110 110 SER CA C 110 58.248 57.262 0.986 1
1 1279 . 14 1 1 A 110 110 SER CB C 110 63.918 66.245 -2.327 1
1 1280 . 14 1 1 A 110 110 SER N N 110 115.148 117.689 -2.541 1
1 1281 . 14 1 1 A 111 111 GLY H H 111 8.199 8.458 -0.259 1
1 1282 . 14 1 1 A 111 111 GLY HA2 H 111 4.167 4.354 -0.187 1
1 1283 . 14 1 1 A 111 111 GLY HA3 H 111 4.094 4.354 -0.260 1
1 1284 . 14 1 1 A 111 111 GLY C C 111 171.782 172.029 -0.247 1
1 1285 . 14 1 1 A 111 111 GLY CA C 111 44.652 44.553 0.099 1
1 1286 . 14 1 1 A 111 111 GLY N N 111 110.586 107.107 3.479 1
1 1287 . 14 1 1 A 112 112 PRO HA H 112 4.471 4.571 -0.100 1
1 1294 . 14 1 1 A 112 112 PRO CA C 112 63.154 62.499 0.655 1
1 1295 . 14 1 1 A 112 112 PRO CB C 112 32.314 33.242 -0.928 1
1 1 . 15 1 1 A 7 7 GLY H H 7 9.055 8.327 0.728 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.908 4.070 -0.162 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 3.968 4.084 -0.116 1
1 4 . 15 1 1 A 7 7 GLY C C 7 173.671 174.941 -1.270 1
1 5 . 15 1 1 A 7 7 GLY CA C 7 45.421 44.798 0.623 1
1 6 . 15 1 1 A 8 8 LYS H H 8 8.145 8.537 -0.392 1
1 7 . 15 1 1 A 8 8 LYS HA H 8 4.345 4.352 -0.007 1
1 16 . 15 1 1 A 8 8 LYS C C 8 175.255 176.068 -0.813 1
1 17 . 15 1 1 A 8 8 LYS CA C 8 56.330 56.413 -0.083 1
1 18 . 15 1 1 A 8 8 LYS CB C 8 33.583 32.713 0.870 1
1 22 . 15 1 1 A 8 8 LYS N N 8 120.101 121.905 -1.804 1
1 23 . 15 1 1 A 9 9 VAL H H 9 7.579 7.497 0.082 1
1 24 . 15 1 1 A 9 9 VAL HA H 9 4.473 4.947 -0.474 1
1 32 . 15 1 1 A 9 9 VAL C C 9 174.860 174.439 0.421 1
1 33 . 15 1 1 A 9 9 VAL CA C 9 59.989 58.508 1.481 1
1 34 . 15 1 1 A 9 9 VAL CB C 9 34.218 36.499 -2.281 1
1 37 . 15 1 1 A 9 9 VAL N N 9 114.437 115.031 -0.594 1
1 38 . 15 1 1 A 10 10 LYS H H 10 8.236 8.632 -0.396 1
1 39 . 15 1 1 A 10 10 LYS HA H 10 4.345 4.585 -0.240 1
1 48 . 15 1 1 A 10 10 LYS C C 10 172.963 174.145 -1.182 1
1 49 . 15 1 1 A 10 10 LYS CA C 10 56.096 55.831 0.265 1
1 50 . 15 1 1 A 10 10 LYS CB C 10 36.131 36.108 0.023 1
1 54 . 15 1 1 A 10 10 LYS N N 10 122.938 121.915 1.023 1
1 55 . 15 1 1 A 11 11 SER H H 11 8.168 8.472 -0.304 1
1 56 . 15 1 1 A 11 11 SER HA H 11 5.669 5.263 0.406 1
1 59 . 15 1 1 A 11 11 SER C C 11 173.281 173.155 0.126 1
1 60 . 15 1 1 A 11 11 SER CA C 11 55.960 56.891 -0.931 1
1 61 . 15 1 1 A 11 11 SER CB C 11 66.326 65.943 0.383 1
1 62 . 15 1 1 A 11 11 SER N N 11 119.068 118.061 1.007 1
1 63 . 15 1 1 A 12 12 GLY H H 12 8.248 7.643 0.605 1
1 64 . 15 1 1 A 12 12 GLY HA2 H 12 4.168 4.223 -0.055 1
1 65 . 15 1 1 A 12 12 GLY HA3 H 12 3.478 4.295 -0.817 1
1 66 . 15 1 1 A 12 12 GLY C C 12 170.778 171.811 -1.033 1
1 67 . 15 1 1 A 12 12 GLY CA C 12 45.654 45.513 0.141 1
1 68 . 15 1 1 A 12 12 GLY N N 12 108.756 108.600 0.156 1
1 69 . 15 1 1 A 13 13 TRP H H 13 8.622 8.944 -0.322 1
1 70 . 15 1 1 A 13 13 TRP HA H 13 5.398 4.922 0.476 1
1 79 . 15 1 1 A 13 13 TRP C C 13 177.511 176.534 0.977 1
1 80 . 15 1 1 A 13 13 TRP CA C 13 57.069 58.998 -1.929 1
1 81 . 15 1 1 A 13 13 TRP CB C 13 30.295 29.859 0.436 1
1 87 . 15 1 1 A 13 13 TRP N N 13 119.518 121.944 -2.426 1
1 89 . 15 1 1 A 14 14 LEU H H 14 9.524 8.815 0.709 1
1 90 . 15 1 1 A 14 14 LEU HA H 14 4.791 5.094 -0.303 1
1 100 . 15 1 1 A 14 14 LEU C C 14 175.381 175.350 0.031 1
1 101 . 15 1 1 A 14 14 LEU CA C 14 54.096 53.567 0.529 1
1 102 . 15 1 1 A 14 14 LEU CB C 14 47.682 45.100 2.582 1
1 106 . 15 1 1 A 14 14 LEU N N 14 124.165 125.941 -1.776 1
1 107 . 15 1 1 A 15 15 ASP H H 15 8.335 8.825 -0.490 1
1 108 . 15 1 1 A 15 15 ASP HA H 15 5.424 5.815 -0.391 1
1 111 . 15 1 1 A 15 15 ASP C C 15 175.302 174.878 0.424 1
1 112 . 15 1 1 A 15 15 ASP CA C 15 53.252 52.828 0.424 1
1 113 . 15 1 1 A 15 15 ASP CB C 15 42.420 43.994 -1.574 1
1 114 . 15 1 1 A 15 15 ASP N N 15 120.275 120.317 -0.042 1
1 115 . 15 1 1 A 16 16 LYS H H 16 9.444 9.259 0.185 1
1 116 . 15 1 1 A 16 16 LYS HA H 16 4.781 4.596 0.185 1
1 125 . 15 1 1 A 16 16 LYS C C 16 176.244 175.604 0.640 1
1 126 . 15 1 1 A 16 16 LYS CA C 16 54.782 54.687 0.095 1
1 127 . 15 1 1 A 16 16 LYS CB C 16 36.666 34.281 2.385 1
1 131 . 15 1 1 A 16 16 LYS N N 16 125.854 123.963 1.891 1
1 132 . 15 1 1 A 17 17 LEU H H 17 8.387 7.973 0.414 1
1 133 . 15 1 1 A 17 17 LEU HA H 17 3.476 4.062 -0.586 1
1 143 . 15 1 1 A 17 17 LEU C C 17 175.840 176.135 -0.295 1
1 144 . 15 1 1 A 17 17 LEU CA C 17 55.715 56.162 -0.447 1
1 145 . 15 1 1 A 17 17 LEU CB C 17 41.986 41.781 0.205 1
1 149 . 15 1 1 A 17 17 LEU N N 17 130.736 128.926 1.810 1
1 150 . 15 1 1 A 18 18 SER H H 18 8.378 8.583 -0.205 1
1 151 . 15 1 1 A 18 18 SER HA H 18 4.563 5.036 -0.473 1
1 154 . 15 1 1 A 18 18 SER C C 18 172.291 172.718 -0.427 1
1 155 . 15 1 1 A 18 18 SER CA C 18 55.697 55.589 0.108 1
1 156 . 15 1 1 A 18 18 SER CB C 18 62.885 63.520 -0.635 1
1 157 . 15 1 1 A 18 18 SER N N 18 123.037 123.877 -0.840 1
1 158 . 15 1 1 A 19 19 PRO HA H 19 4.414 4.691 -0.277 1
1 165 . 15 1 1 A 19 19 PRO CA C 19 63.946 63.722 0.224 1
1 166 . 15 1 1 A 19 19 PRO CB C 19 32.128 31.618 0.510 1
1 169 . 15 1 1 A 20 20 GLN H H 20 8.085 7.603 0.482 1
1 170 . 15 1 1 A 20 20 GLN HA H 20 4.353 4.043 0.310 1
1 175 . 15 1 1 A 20 20 GLN CA C 20 55.533 57.915 -2.382 1
1 176 . 15 1 1 A 20 20 GLN CB C 20 30.130 28.499 1.631 1
1 178 . 15 1 1 A 20 20 GLN N N 20 119.721 119.581 0.140 1
1 179 . 15 1 1 A 22 22 LYS H H 22 8.151 7.768 0.383 1
1 180 . 15 1 1 A 22 22 LYS HA H 22 4.165 4.644 -0.479 1
1 185 . 15 1 1 A 22 22 LYS C C 22 176.016 175.540 0.476 1
1 186 . 15 1 1 A 22 22 LYS CA C 22 56.717 55.014 1.703 1
1 187 . 15 1 1 A 22 22 LYS CB C 22 32.303 34.652 -2.349 1
1 191 . 15 1 1 A 23 23 ARG H H 23 8.329 8.508 -0.179 1
1 192 . 15 1 1 A 23 23 ARG HA H 23 3.937 4.383 -0.446 1
1 199 . 15 1 1 A 23 23 ARG C C 23 174.937 174.940 -0.003 1
1 200 . 15 1 1 A 23 23 ARG CA C 23 56.436 55.681 0.755 1
1 201 . 15 1 1 A 23 23 ARG CB C 23 29.144 28.936 0.208 1
1 204 . 15 1 1 A 23 23 ARG N N 23 119.006 124.379 -5.373 1
1 205 . 15 1 1 A 24 24 MET H H 24 7.965 8.057 -0.092 1
1 206 . 15 1 1 A 24 24 MET HA H 24 4.492 5.146 -0.654 1
1 209 . 15 1 1 A 24 24 MET C C 24 174.737 174.418 0.319 1
1 210 . 15 1 1 A 24 24 MET CA C 24 55.134 54.166 0.968 1
1 211 . 15 1 1 A 24 24 MET CB C 24 33.665 38.245 -4.580 1
1 213 . 15 1 1 A 24 24 MET N N 24 120.460 122.463 -2.003 1
1 214 . 15 1 1 A 25 25 PHE H H 25 8.593 8.838 -0.245 1
1 215 . 15 1 1 A 25 25 PHE HA H 25 4.788 5.189 -0.401 1
1 223 . 15 1 1 A 25 25 PHE C C 25 175.712 175.104 0.608 1
1 224 . 15 1 1 A 25 25 PHE CA C 25 57.421 56.535 0.886 1
1 225 . 15 1 1 A 25 25 PHE CB C 25 41.890 41.739 0.151 1
1 231 . 15 1 1 A 25 25 PHE N N 25 121.330 118.905 2.425 1
1 232 . 15 1 1 A 26 26 GLN H H 26 8.758 8.714 0.044 1
1 233 . 15 1 1 A 26 26 GLN HA H 26 4.777 4.743 0.034 1
1 240 . 15 1 1 A 26 26 GLN C C 26 175.149 174.870 0.279 1
1 241 . 15 1 1 A 26 26 GLN CA C 26 53.991 54.941 -0.950 1
1 242 . 15 1 1 A 26 26 GLN CB C 26 32.144 30.377 1.767 1
1 244 . 15 1 1 A 26 26 GLN N N 26 119.081 121.873 -2.792 1
1 246 . 15 1 1 A 27 27 LYS H H 27 8.913 8.876 0.037 1
1 247 . 15 1 1 A 27 27 LYS HA H 27 4.933 4.931 0.002 1
1 256 . 15 1 1 A 27 27 LYS C C 27 177.786 175.532 2.254 1
1 257 . 15 1 1 A 27 27 LYS CA C 27 57.843 56.825 1.018 1
1 258 . 15 1 1 A 27 27 LYS CB C 27 32.720 33.477 -0.757 1
1 262 . 15 1 1 A 27 27 LYS N N 27 126.903 126.777 0.126 1
1 263 . 15 1 1 A 28 28 ARG H H 28 9.847 9.417 0.430 1
1 264 . 15 1 1 A 28 28 ARG HA H 28 5.236 5.162 0.074 1
1 271 . 15 1 1 A 28 28 ARG C C 28 173.319 175.159 -1.840 1
1 272 . 15 1 1 A 28 28 ARG CA C 28 53.481 54.829 -1.348 1
1 273 . 15 1 1 A 28 28 ARG CB C 28 34.405 34.344 0.061 1
1 276 . 15 1 1 A 28 28 ARG N N 28 127.032 124.498 2.534 1
1 277 . 15 1 1 A 29 29 TRP H H 29 8.408 8.616 -0.208 1
1 278 . 15 1 1 A 29 29 TRP HA H 29 4.424 4.471 -0.047 1
1 285 . 15 1 1 A 29 29 TRP C C 29 174.606 174.949 -0.343 1
1 286 . 15 1 1 A 29 29 TRP CA C 29 56.383 58.259 -1.876 1
1 287 . 15 1 1 A 29 29 TRP CB C 29 29.226 29.370 -0.144 1
1 292 . 15 1 1 A 29 29 TRP N N 29 124.511 126.640 -2.129 1
1 293 . 15 1 1 A 30 30 VAL H H 30 8.464 8.277 0.187 1
1 294 . 15 1 1 A 30 30 VAL HA H 30 4.736 4.770 -0.034 1
1 302 . 15 1 1 A 30 30 VAL C C 30 172.903 174.468 -1.565 1
1 303 . 15 1 1 A 30 30 VAL CA C 30 61.219 60.303 0.916 1
1 304 . 15 1 1 A 30 30 VAL CB C 30 32.925 34.469 -1.544 1
1 307 . 15 1 1 A 30 30 VAL N N 30 129.572 127.143 2.429 1
1 308 . 15 1 1 A 31 31 LYS H H 31 9.125 8.162 0.963 1
1 309 . 15 1 1 A 31 31 LYS HA H 31 5.095 4.862 0.233 1
1 318 . 15 1 1 A 31 31 LYS C C 31 175.396 174.257 1.139 1
1 319 . 15 1 1 A 31 31 LYS CA C 31 54.677 55.370 -0.693 1
1 320 . 15 1 1 A 31 31 LYS CB C 31 37.036 36.139 0.897 1
1 324 . 15 1 1 A 31 31 LYS N N 31 124.358 126.130 -1.772 1
1 325 . 15 1 1 A 32 32 PHE H H 32 9.725 8.624 1.101 1
1 326 . 15 1 1 A 32 32 PHE HA H 32 5.905 5.258 0.647 1
1 334 . 15 1 1 A 32 32 PHE C C 32 174.555 174.305 0.250 1
1 335 . 15 1 1 A 32 32 PHE CA C 32 56.224 56.223 0.001 1
1 336 . 15 1 1 A 32 32 PHE CB C 32 41.804 42.784 -0.980 1
1 342 . 15 1 1 A 32 32 PHE N N 32 125.979 127.480 -1.501 1
1 343 . 15 1 1 A 33 33 ASP H H 33 7.884 8.582 -0.698 1
1 344 . 15 1 1 A 33 33 ASP HA H 33 4.555 4.810 -0.255 1
1 347 . 15 1 1 A 33 33 ASP C C 33 175.730 175.478 0.252 1
1 348 . 15 1 1 A 33 33 ASP CA C 33 52.602 54.231 -1.629 1
1 349 . 15 1 1 A 33 33 ASP CB C 33 41.686 43.130 -1.444 1
1 350 . 15 1 1 A 33 33 ASP N N 33 126.924 125.869 1.055 1
1 351 . 15 1 1 A 34 34 GLY H H 34 4.680 6.999 -2.319 1
1 352 . 15 1 1 A 34 34 GLY HA2 H 34 4.252 3.506 0.746 1
1 353 . 15 1 1 A 34 34 GLY HA3 H 34 3.023 3.766 -0.743 1
1 354 . 15 1 1 A 34 34 GLY C C 34 172.363 175.314 -2.951 1
1 355 . 15 1 1 A 34 34 GLY CA C 34 45.672 45.025 0.647 1
1 356 . 15 1 1 A 35 35 LEU H H 35 8.148 7.971 0.177 1
1 357 . 15 1 1 A 35 35 LEU HA H 35 4.623 4.390 0.233 1
1 367 . 15 1 1 A 35 35 LEU C C 35 177.783 177.089 0.694 1
1 368 . 15 1 1 A 35 35 LEU CA C 35 55.978 55.909 0.069 1
1 369 . 15 1 1 A 35 35 LEU CB C 35 44.352 42.811 1.541 1
1 373 . 15 1 1 A 35 35 LEU N N 35 120.632 119.715 0.917 1
1 374 . 15 1 1 A 36 36 SER H H 36 9.064 7.763 1.301 1
1 375 . 15 1 1 A 36 36 SER HA H 36 5.059 5.095 -0.036 1
1 378 . 15 1 1 A 36 36 SER C C 36 173.878 172.429 1.449 1
1 379 . 15 1 1 A 36 36 SER CA C 36 57.667 57.547 0.120 1
1 380 . 15 1 1 A 36 36 SER CB C 36 66.140 66.179 -0.039 1
1 381 . 15 1 1 A 36 36 SER N N 36 115.030 109.283 5.747 1
1 382 . 15 1 1 A 37 37 ILE H H 37 8.981 9.064 -0.083 1
1 383 . 15 1 1 A 37 37 ILE HA H 37 5.055 5.055 0.000 1
1 393 . 15 1 1 A 37 37 ILE C C 37 174.995 175.181 -0.186 1
1 394 . 15 1 1 A 37 37 ILE CA C 37 61.061 60.828 0.233 1
1 395 . 15 1 1 A 37 37 ILE CB C 37 39.355 39.497 -0.142 1
1 399 . 15 1 1 A 37 37 ILE N N 37 122.186 122.114 0.072 1
1 400 . 15 1 1 A 38 38 SER H H 38 9.422 8.960 0.462 1
1 401 . 15 1 1 A 38 38 SER HA H 38 5.297 5.045 0.252 1
1 404 . 15 1 1 A 38 38 SER C C 38 172.177 173.194 -1.017 1
1 405 . 15 1 1 A 38 38 SER CA C 38 56.910 57.703 -0.793 1
1 406 . 15 1 1 A 38 38 SER CB C 38 66.018 64.185 1.833 1
1 407 . 15 1 1 A 38 38 SER N N 38 122.548 124.620 -2.072 1
1 408 . 15 1 1 A 39 39 TYR H H 39 7.649 8.540 -0.891 1
1 409 . 15 1 1 A 39 39 TYR HA H 39 6.025 6.014 0.011 1
1 416 . 15 1 1 A 39 39 TYR C C 39 173.937 173.911 0.026 1
1 417 . 15 1 1 A 39 39 TYR CA C 39 54.144 54.974 -0.830 1
1 418 . 15 1 1 A 39 39 TYR CB C 39 41.722 41.783 -0.061 1
1 423 . 15 1 1 A 39 39 TYR N N 39 116.176 122.984 -6.808 1
1 424 . 15 1 1 A 40 40 TYR H H 40 9.647 9.217 0.430 1
1 425 . 15 1 1 A 40 40 TYR HA H 40 5.044 5.139 -0.095 1
1 432 . 15 1 1 A 40 40 TYR CA C 40 56.928 56.291 0.637 1
1 433 . 15 1 1 A 40 40 TYR CB C 40 43.678 42.813 0.865 1
1 438 . 15 1 1 A 40 40 TYR N N 40 118.964 120.318 -1.354 1
1 439 . 15 1 1 A 41 41 ASN H H 41 7.712 8.711 -0.999 1
1 440 . 15 1 1 A 41 41 ASN HA H 41 4.867 5.803 -0.936 1
1 445 . 15 1 1 A 41 41 ASN CB C 41 39.279 40.030 -0.751 1
1 446 . 15 1 1 A 41 41 ASN N N 41 109.731 120.998 -11.267 1
1 448 . 15 1 1 A 42 42 ASN H H 42 9.215 9.380 -0.165 1
1 449 . 15 1 1 A 42 42 ASN HA H 42 4.868 4.723 0.145 1
1 452 . 15 1 1 A 42 42 ASN CA C 42 52.812 55.630 -2.818 1
1 453 . 15 1 1 A 42 42 ASN CB C 42 39.180 39.326 -0.146 1
1 458 . 15 1 1 A 44 44 LYS CB C 44 35.364 32.203 3.161 1
1 460 . 15 1 1 A 46 46 MET H H 46 8.285 8.718 -0.433 1
1 461 . 15 1 1 A 46 46 MET HA H 46 4.218 4.393 -0.175 1
1 466 . 15 1 1 A 46 46 MET CA C 46 56.523 58.257 -1.734 1
1 467 . 15 1 1 A 46 46 MET CB C 46 33.665 32.454 1.211 1
1 469 . 15 1 1 A 47 47 TYR H H 47 7.965 8.170 -0.205 1
1 470 . 15 1 1 A 47 47 TYR HA H 47 4.935 4.901 0.034 1
1 477 . 15 1 1 A 47 47 TYR CA C 47 55.861 57.685 -1.824 1
1 478 . 15 1 1 A 47 47 TYR CB C 47 38.476 39.333 -0.857 1
1 483 . 15 1 1 A 47 47 TYR N N 47 117.521 117.363 0.158 1
1 484 . 15 1 1 A 49 49 LYS H H 49 8.704 8.804 -0.100 1
1 485 . 15 1 1 A 49 49 LYS HA H 49 4.369 4.999 -0.630 1
1 494 . 15 1 1 A 49 49 LYS CA C 49 54.891 55.146 -0.255 1
1 495 . 15 1 1 A 49 49 LYS CB C 49 32.501 35.576 -3.075 1
1 499 . 15 1 1 A 50 50 GLY H H 50 6.985 8.422 -1.437 1
1 500 . 15 1 1 A 50 50 GLY HA2 H 50 3.825 3.959 -0.134 1
1 501 . 15 1 1 A 50 50 GLY HA3 H 50 3.265 4.108 -0.843 1
1 502 . 15 1 1 A 50 50 GLY C C 50 170.241 171.746 -1.505 1
1 503 . 15 1 1 A 50 50 GLY CA C 50 45.039 44.472 0.567 1
1 504 . 15 1 1 A 50 50 GLY N N 50 108.097 106.903 1.194 1
1 505 . 15 1 1 A 51 51 ILE H H 51 7.890 8.504 -0.614 1
1 506 . 15 1 1 A 51 51 ILE HA H 51 4.777 4.924 -0.147 1
1 516 . 15 1 1 A 51 51 ILE C C 51 175.026 173.098 1.928 1
1 517 . 15 1 1 A 51 51 ILE CA C 51 60.217 59.175 1.042 1
1 518 . 15 1 1 A 51 51 ILE CB C 51 42.388 42.170 0.218 1
1 522 . 15 1 1 A 51 51 ILE N N 51 117.769 121.947 -4.178 1
1 523 . 15 1 1 A 52 52 ILE H H 52 9.485 9.198 0.287 1
1 524 . 15 1 1 A 52 52 ILE HA H 52 4.533 4.729 -0.196 1
1 534 . 15 1 1 A 52 52 ILE C C 52 173.526 174.642 -1.116 1
1 535 . 15 1 1 A 52 52 ILE CA C 52 57.983 57.780 0.203 1
1 536 . 15 1 1 A 52 52 ILE CB C 52 40.324 39.885 0.439 1
1 540 . 15 1 1 A 52 52 ILE N N 52 127.899 127.997 -0.098 1
1 541 . 15 1 1 A 53 53 PRO HA H 53 4.501 4.761 -0.260 1
1 548 . 15 1 1 A 53 53 PRO C C 53 177.663 178.191 -0.528 1
1 549 . 15 1 1 A 53 53 PRO CA C 53 62.838 62.928 -0.090 1
1 550 . 15 1 1 A 53 53 PRO CB C 53 31.939 32.375 -0.436 1
1 553 . 15 1 1 A 54 54 LEU H H 54 8.647 8.707 -0.060 1
1 554 . 15 1 1 A 54 54 LEU HA H 54 3.985 4.185 -0.200 1
1 564 . 15 1 1 A 54 54 LEU C C 54 178.940 178.179 0.761 1
1 565 . 15 1 1 A 54 54 LEU CA C 54 58.371 57.731 0.640 1
1 566 . 15 1 1 A 54 54 LEU CB C 54 42.388 41.642 0.746 1
1 570 . 15 1 1 A 54 54 LEU N N 54 124.847 126.997 -2.150 1
1 571 . 15 1 1 A 55 55 SER H H 55 8.278 8.371 -0.093 1
1 572 . 15 1 1 A 55 55 SER HA H 55 4.169 4.251 -0.082 1
1 575 . 15 1 1 A 55 55 SER C C 55 174.956 177.347 -2.391 1
1 576 . 15 1 1 A 55 55 SER CA C 55 59.971 61.639 -1.668 1
1 577 . 15 1 1 A 55 55 SER CB C 55 62.721 62.220 0.501 1
1 578 . 15 1 1 A 55 55 SER N N 55 109.639 114.807 -5.168 1
1 579 . 15 1 1 A 56 56 ALA H H 56 7.796 7.951 -0.155 1
1 580 . 15 1 1 A 56 56 ALA HA H 56 4.545 4.151 0.394 1
1 584 . 15 1 1 A 56 56 ALA C C 56 177.505 178.686 -1.181 1
1 585 . 15 1 1 A 56 56 ALA CA C 56 52.022 55.372 -3.350 1
1 586 . 15 1 1 A 56 56 ALA CB C 56 20.240 18.188 2.052 1
1 587 . 15 1 1 A 56 56 ALA N N 56 123.057 122.305 0.752 1
1 588 . 15 1 1 A 57 57 ILE H H 57 7.664 7.284 0.380 1
1 589 . 15 1 1 A 57 57 ILE HA H 57 4.035 4.224 -0.189 1
1 599 . 15 1 1 A 57 57 ILE C C 57 175.285 176.287 -1.002 1
1 600 . 15 1 1 A 57 57 ILE CA C 57 62.697 62.222 0.475 1
1 601 . 15 1 1 A 57 57 ILE CB C 57 38.474 37.234 1.240 1
1 605 . 15 1 1 A 57 57 ILE N N 57 119.512 118.150 1.362 1
1 606 . 15 1 1 A 58 58 SER H H 58 9.364 9.229 0.135 1
1 607 . 15 1 1 A 58 58 SER HA H 58 4.526 4.376 0.150 1
1 610 . 15 1 1 A 58 58 SER C C 58 175.125 173.904 1.221 1
1 611 . 15 1 1 A 58 58 SER CA C 58 59.215 60.866 -1.651 1
1 612 . 15 1 1 A 58 58 SER CB C 58 63.590 63.735 -0.145 1
1 613 . 15 1 1 A 58 58 SER N N 58 122.513 124.617 -2.104 1
1 614 . 15 1 1 A 59 59 THR H H 59 7.502 6.981 0.521 1
1 615 . 15 1 1 A 59 59 THR HA H 59 4.355 4.565 -0.210 1
1 620 . 15 1 1 A 59 59 THR C C 59 170.784 171.697 -0.913 1
1 621 . 15 1 1 A 59 59 THR CA C 59 61.132 61.282 -0.150 1
1 622 . 15 1 1 A 59 59 THR CB C 59 68.686 71.061 -2.375 1
1 624 . 15 1 1 A 59 59 THR N N 59 112.470 112.591 -0.121 1
1 625 . 15 1 1 A 60 60 VAL H H 60 7.766 8.822 -1.056 1
1 626 . 15 1 1 A 60 60 VAL HA H 60 5.326 4.869 0.457 1
1 634 . 15 1 1 A 60 60 VAL C C 60 174.166 175.058 -0.892 1
1 635 . 15 1 1 A 60 60 VAL CA C 60 60.410 61.218 -0.808 1
1 636 . 15 1 1 A 60 60 VAL CB C 60 34.979 33.606 1.373 1
1 639 . 15 1 1 A 60 60 VAL N N 60 121.276 126.507 -5.231 1
1 640 . 15 1 1 A 61 61 ARG H H 61 8.941 8.667 0.274 1
1 641 . 15 1 1 A 61 61 ARG HA H 61 5.053 5.086 -0.033 1
1 648 . 15 1 1 A 61 61 ARG C C 61 175.460 175.265 0.195 1
1 649 . 15 1 1 A 61 61 ARG CA C 61 54.166 54.530 -0.364 1
1 650 . 15 1 1 A 61 61 ARG CB C 61 34.000 33.833 0.167 1
1 653 . 15 1 1 A 61 61 ARG N N 61 121.101 124.050 -2.949 1
1 654 . 15 1 1 A 62 62 VAL H H 62 8.627 8.726 -0.099 1
1 655 . 15 1 1 A 62 62 VAL HA H 62 4.195 4.309 -0.114 1
1 663 . 15 1 1 A 62 62 VAL C C 62 175.216 175.262 -0.046 1
1 664 . 15 1 1 A 62 62 VAL CA C 62 62.926 62.161 0.765 1
1 665 . 15 1 1 A 62 62 VAL CB C 62 33.459 32.788 0.671 1
1 668 . 15 1 1 A 62 62 VAL N N 62 118.451 122.163 -3.712 1
1 669 . 15 1 1 A 63 63 GLN H H 63 7.628 8.623 -0.995 1
1 670 . 15 1 1 A 63 63 GLN HA H 63 4.575 4.853 -0.278 1
1 677 . 15 1 1 A 63 63 GLN C C 63 174.418 177.056 -2.638 1
1 678 . 15 1 1 A 63 63 GLN CA C 63 55.451 53.971 1.480 1
1 679 . 15 1 1 A 63 63 GLN CB C 63 32.062 31.620 0.442 1
1 681 . 15 1 1 A 63 63 GLN N N 63 123.160 123.514 -0.354 1
1 683 . 15 1 1 A 64 64 GLY H H 64 8.678 8.806 -0.128 1
1 684 . 15 1 1 A 64 64 GLY HA2 H 64 4.025 3.853 0.172 1
1 685 . 15 1 1 A 64 64 GLY HA3 H 64 3.895 3.856 0.039 1
1 686 . 15 1 1 A 64 64 GLY C C 64 174.592 175.445 -0.853 1
1 687 . 15 1 1 A 64 64 GLY CA C 64 45.531 47.415 -1.884 1
1 688 . 15 1 1 A 64 64 GLY N N 64 112.406 111.504 0.902 1
1 689 . 15 1 1 A 65 65 ASP HA H 65 4.625 4.655 -0.030 1
1 692 . 15 1 1 A 65 65 ASP C C 65 176.902 176.753 0.149 1
1 693 . 15 1 1 A 65 65 ASP CA C 65 55.486 54.543 0.943 1
1 694 . 15 1 1 A 65 65 ASP CB C 65 40.817 41.779 -0.962 1
1 695 . 15 1 1 A 66 66 ASN H H 66 7.979 8.799 -0.820 1
1 696 . 15 1 1 A 66 66 ASN HA H 66 4.554 4.877 -0.323 1
1 701 . 15 1 1 A 66 66 ASN C C 66 174.456 173.614 0.842 1
1 702 . 15 1 1 A 66 66 ASN CA C 66 52.795 52.949 -0.154 1
1 703 . 15 1 1 A 66 66 ASN CB C 66 37.981 36.521 1.460 1
1 704 . 15 1 1 A 66 66 ASN N N 66 112.071 119.473 -7.402 1
1 706 . 15 1 1 A 67 67 LYS H H 67 7.476 8.043 -0.567 1
1 707 . 15 1 1 A 67 67 LYS HA H 67 5.914 5.034 0.880 1
1 716 . 15 1 1 A 67 67 LYS C C 67 177.922 175.355 2.567 1
1 717 . 15 1 1 A 67 67 LYS CA C 67 54.906 54.390 0.516 1
1 718 . 15 1 1 A 67 67 LYS CB C 67 36.707 36.729 -0.022 1
1 722 . 15 1 1 A 67 67 LYS N N 67 115.613 117.734 -2.121 1
1 723 . 15 1 1 A 68 68 PHE H H 68 9.227 8.278 0.949 1
1 724 . 15 1 1 A 68 68 PHE HA H 68 5.296 5.507 -0.211 1
1 732 . 15 1 1 A 68 68 PHE C C 68 171.230 172.255 -1.025 1
1 733 . 15 1 1 A 68 68 PHE CA C 68 56.576 55.465 1.111 1
1 734 . 15 1 1 A 68 68 PHE CB C 68 42.790 42.668 0.122 1
1 740 . 15 1 1 A 68 68 PHE N N 68 117.009 117.204 -0.195 1
1 741 . 15 1 1 A 69 69 GLU H H 69 9.527 8.949 0.578 1
1 742 . 15 1 1 A 69 69 GLU HA H 69 5.434 5.005 0.429 1
1 747 . 15 1 1 A 69 69 GLU C C 69 175.659 175.431 0.228 1
1 748 . 15 1 1 A 69 69 GLU CA C 69 53.429 54.897 -1.468 1
1 749 . 15 1 1 A 69 69 GLU CB C 69 33.460 32.749 0.711 1
1 751 . 15 1 1 A 69 69 GLU N N 69 119.470 120.220 -0.750 1
1 752 . 15 1 1 A 70 70 VAL H H 70 9.486 9.246 0.240 1
1 753 . 15 1 1 A 70 70 VAL HA H 70 4.486 4.656 -0.170 1
1 761 . 15 1 1 A 70 70 VAL C C 70 174.403 175.230 -0.827 1
1 762 . 15 1 1 A 70 70 VAL CA C 70 62.240 61.850 0.390 1
1 763 . 15 1 1 A 70 70 VAL CB C 70 33.706 31.955 1.751 1
1 766 . 15 1 1 A 70 70 VAL N N 70 123.935 127.240 -3.305 1
1 767 . 15 1 1 A 71 71 VAL H H 71 8.658 8.436 0.222 1
1 768 . 15 1 1 A 71 71 VAL HA H 71 4.345 4.178 0.167 1
1 776 . 15 1 1 A 71 71 VAL C C 71 175.524 175.582 -0.058 1
1 777 . 15 1 1 A 71 71 VAL CA C 71 63.365 63.205 0.160 1
1 778 . 15 1 1 A 71 71 VAL CB C 71 32.802 31.504 1.298 1
1 781 . 15 1 1 A 71 71 VAL N N 71 129.195 128.153 1.042 1
1 782 . 15 1 1 A 72 72 THR H H 72 8.134 8.112 0.022 1
1 783 . 15 1 1 A 72 72 THR HA H 72 5.515 5.197 0.318 1
1 788 . 15 1 1 A 72 72 THR C C 72 174.609 175.360 -0.751 1
1 789 . 15 1 1 A 72 72 THR CA C 72 59.496 59.596 -0.100 1
1 790 . 15 1 1 A 72 72 THR CB C 72 72.139 71.915 0.224 1
1 792 . 15 1 1 A 72 72 THR N N 72 117.639 117.095 0.544 1
1 793 . 15 1 1 A 73 73 THR H H 73 8.944 9.065 -0.121 1
1 794 . 15 1 1 A 73 73 THR HA H 73 3.966 3.952 0.014 1
1 799 . 15 1 1 A 73 73 THR C C 73 175.783 176.131 -0.348 1
1 800 . 15 1 1 A 73 73 THR CA C 73 65.880 65.440 0.440 1
1 801 . 15 1 1 A 73 73 THR CB C 73 68.604 68.816 -0.212 1
1 803 . 15 1 1 A 73 73 THR N N 73 114.027 116.981 -2.954 1
1 804 . 15 1 1 A 74 74 GLN H H 74 7.997 7.575 0.422 1
1 805 . 15 1 1 A 74 74 GLN HA H 74 4.350 4.353 -0.003 1
1 812 . 15 1 1 A 74 74 GLN C C 74 175.698 175.588 0.110 1
1 813 . 15 1 1 A 74 74 GLN CA C 74 56.910 57.655 -0.745 1
1 814 . 15 1 1 A 74 74 GLN CB C 74 30.624 29.218 1.406 1
1 816 . 15 1 1 A 74 74 GLN N N 74 115.670 118.336 -2.666 1
1 818 . 15 1 1 A 75 75 ARG H H 75 7.366 7.171 0.195 1
1 819 . 15 1 1 A 75 75 ARG HA H 75 4.395 4.503 -0.108 1
1 826 . 15 1 1 A 75 75 ARG C C 75 174.546 174.986 -0.440 1
1 827 . 15 1 1 A 75 75 ARG CA C 75 55.802 54.300 1.502 1
1 828 . 15 1 1 A 75 75 ARG CB C 75 32.514 33.389 -0.875 1
1 831 . 15 1 1 A 75 75 ARG N N 75 115.650 117.681 -2.031 1
1 832 . 15 1 1 A 76 76 THR H H 76 8.679 8.406 0.273 1
1 833 . 15 1 1 A 76 76 THR HA H 76 5.065 3.907 1.158 1
1 838 . 15 1 1 A 76 76 THR C C 76 173.239 174.031 -0.792 1
1 839 . 15 1 1 A 76 76 THR CA C 76 61.888 64.023 -2.135 1
1 840 . 15 1 1 A 76 76 THR CB C 76 69.878 69.208 0.670 1
1 842 . 15 1 1 A 76 76 THR N N 76 120.285 118.551 1.734 1
1 843 . 15 1 1 A 77 77 PHE H H 77 9.156 9.042 0.114 1
1 844 . 15 1 1 A 77 77 PHE HA H 77 4.385 5.035 -0.650 1
1 852 . 15 1 1 A 77 77 PHE C C 77 174.028 174.820 -0.792 1
1 853 . 15 1 1 A 77 77 PHE CA C 77 56.822 56.074 0.748 1
1 854 . 15 1 1 A 77 77 PHE CB C 77 41.640 42.224 -0.584 1
1 860 . 15 1 1 A 77 77 PHE N N 77 127.212 126.663 0.549 1
1 861 . 15 1 1 A 78 78 VAL H H 78 8.374 8.408 -0.034 1
1 862 . 15 1 1 A 78 78 VAL HA H 78 4.506 4.508 -0.002 1
1 870 . 15 1 1 A 78 78 VAL C C 78 173.264 174.497 -1.233 1
1 871 . 15 1 1 A 78 78 VAL CA C 78 61.730 61.417 0.313 1
1 872 . 15 1 1 A 78 78 VAL CB C 78 33.254 34.346 -1.092 1
1 875 . 15 1 1 A 78 78 VAL N N 78 123.393 119.404 3.989 1
1 876 . 15 1 1 A 79 79 PHE H H 79 8.458 8.123 0.335 1
1 877 . 15 1 1 A 79 79 PHE HA H 79 5.403 5.004 0.399 1
1 885 . 15 1 1 A 79 79 PHE C C 79 173.855 174.033 -0.178 1
1 886 . 15 1 1 A 79 79 PHE CA C 79 55.151 56.206 -1.055 1
1 887 . 15 1 1 A 79 79 PHE CB C 79 42.913 41.867 1.046 1
1 893 . 15 1 1 A 79 79 PHE N N 79 123.801 125.558 -1.757 1
1 894 . 15 1 1 A 80 80 ARG H H 80 9.407 8.819 0.588 1
1 895 . 15 1 1 A 80 80 ARG HA H 80 5.134 5.091 0.043 1
1 902 . 15 1 1 A 80 80 ARG C C 80 174.634 174.620 0.014 1
1 903 . 15 1 1 A 80 80 ARG CA C 80 54.431 54.040 0.391 1
1 904 . 15 1 1 A 80 80 ARG CB C 80 35.227 34.100 1.127 1
1 907 . 15 1 1 A 80 80 ARG N N 80 121.570 121.277 0.293 1
1 908 . 15 1 1 A 81 81 VAL H H 81 8.544 8.318 0.226 1
1 909 . 15 1 1 A 81 81 VAL HA H 81 4.708 4.898 -0.190 1
1 917 . 15 1 1 A 81 81 VAL C C 81 175.050 175.615 -0.565 1
1 918 . 15 1 1 A 81 81 VAL CA C 81 59.602 59.169 0.433 1
1 919 . 15 1 1 A 81 81 VAL CB C 81 33.706 34.749 -1.043 1
1 922 . 15 1 1 A 81 81 VAL N N 81 122.128 119.496 2.632 1
1 923 . 15 1 1 A 82 82 GLU H H 82 8.549 8.998 -0.449 1
1 924 . 15 1 1 A 82 82 GLU HA H 82 4.132 4.595 -0.463 1
1 929 . 15 1 1 A 82 82 GLU C C 82 176.909 176.348 0.561 1
1 930 . 15 1 1 A 82 82 GLU CA C 82 58.973 57.660 1.313 1
1 931 . 15 1 1 A 82 82 GLU CB C 82 30.582 31.920 -1.338 1
1 933 . 15 1 1 A 82 82 GLU N N 82 121.776 120.233 1.543 1
1 934 . 15 1 1 A 83 83 LYS H H 83 7.618 7.635 -0.017 1
1 935 . 15 1 1 A 83 83 LYS HA H 83 4.708 4.741 -0.033 1
1 944 . 15 1 1 A 83 83 LYS C C 83 176.665 176.665 0.000 1
1 945 . 15 1 1 A 83 83 LYS CA C 83 54.694 54.664 0.030 1
1 946 . 15 1 1 A 83 83 LYS CB C 83 34.775 35.776 -1.001 1
1 950 . 15 1 1 A 83 83 LYS N N 83 115.778 118.148 -2.370 1
1 951 . 15 1 1 A 84 84 GLU H H 84 9.150 8.942 0.208 1
1 952 . 15 1 1 A 84 84 GLU HA H 84 3.953 3.967 -0.014 1
1 957 . 15 1 1 A 84 84 GLU C C 84 178.243 178.169 0.074 1
1 958 . 15 1 1 A 84 84 GLU CA C 84 60.217 59.917 0.300 1
1 959 . 15 1 1 A 84 84 GLU CB C 84 29.843 29.566 0.277 1
1 961 . 15 1 1 A 84 84 GLU N N 84 127.798 123.334 4.464 1
1 962 . 15 1 1 A 85 85 GLU H H 85 9.626 8.145 1.481 1
1 963 . 15 1 1 A 85 85 GLU HA H 85 4.100 4.079 0.021 1
1 968 . 15 1 1 A 85 85 GLU C C 85 178.948 179.354 -0.406 1
1 969 . 15 1 1 A 85 85 GLU CA C 85 59.847 59.214 0.633 1
1 970 . 15 1 1 A 85 85 GLU CB C 85 28.897 29.247 -0.350 1
1 972 . 15 1 1 A 85 85 GLU N N 85 117.844 118.883 -1.039 1
1 973 . 15 1 1 A 86 86 GLU H H 86 7.257 8.403 -1.146 1
1 974 . 15 1 1 A 86 86 GLU HA H 86 4.365 4.301 0.064 1
1 979 . 15 1 1 A 86 86 GLU C C 86 178.607 179.200 -0.593 1
1 980 . 15 1 1 A 86 86 GLU CA C 86 58.089 59.687 -1.598 1
1 981 . 15 1 1 A 86 86 GLU CB C 86 30.212 29.358 0.854 1
1 983 . 15 1 1 A 86 86 GLU N N 86 118.075 119.637 -1.562 1
1 984 . 15 1 1 A 87 87 ARG H H 87 7.919 8.110 -0.191 1
1 985 . 15 1 1 A 87 87 ARG HA H 87 3.838 4.084 -0.246 1
1 992 . 15 1 1 A 87 87 ARG C C 87 177.977 179.095 -1.118 1
1 993 . 15 1 1 A 87 87 ARG CA C 87 60.815 59.424 1.391 1
1 994 . 15 1 1 A 87 87 ARG CB C 87 28.856 30.025 -1.169 1
1 997 . 15 1 1 A 87 87 ARG N N 87 121.287 120.645 0.642 1
1 998 . 15 1 1 A 88 88 ASN H H 88 8.421 8.001 0.420 1
1 999 . 15 1 1 A 88 88 ASN HA H 88 4.295 4.512 -0.217 1
1 1004 . 15 1 1 A 88 88 ASN C C 88 177.423 177.948 -0.525 1
1 1005 . 15 1 1 A 88 88 ASN CA C 88 55.627 56.295 -0.668 1
1 1006 . 15 1 1 A 88 88 ASN CB C 88 37.136 37.940 -0.804 1
1 1007 . 15 1 1 A 88 88 ASN N N 88 116.926 118.069 -1.143 1
1 1009 . 15 1 1 A 89 89 ASP H H 89 7.790 8.219 -0.429 1
1 1010 . 15 1 1 A 89 89 ASP HA H 89 4.389 4.197 0.192 1
1 1013 . 15 1 1 A 89 89 ASP C C 89 177.683 178.600 -0.917 1
1 1014 . 15 1 1 A 89 89 ASP CA C 89 57.737 57.181 0.556 1
1 1015 . 15 1 1 A 89 89 ASP CB C 89 41.352 40.218 1.134 1
1 1016 . 15 1 1 A 89 89 ASP N N 89 121.867 118.806 3.061 1
1 1017 . 15 1 1 A 90 90 TRP H H 90 7.690 7.954 -0.264 1
1 1018 . 15 1 1 A 90 90 TRP HA H 90 3.666 4.186 -0.520 1
1 1027 . 15 1 1 A 90 90 TRP C C 90 177.880 178.583 -0.703 1
1 1028 . 15 1 1 A 90 90 TRP CA C 90 61.704 59.675 2.029 1
1 1029 . 15 1 1 A 90 90 TRP CB C 90 29.594 29.234 0.360 1
1 1035 . 15 1 1 A 90 90 TRP N N 90 117.617 119.572 -1.955 1
1 1037 . 15 1 1 A 91 91 ILE H H 91 7.654 7.951 -0.297 1
1 1038 . 15 1 1 A 91 91 ILE HA H 91 3.275 3.600 -0.325 1
1 1048 . 15 1 1 A 91 91 ILE C C 91 177.138 177.880 -0.742 1
1 1049 . 15 1 1 A 91 91 ILE CA C 91 65.001 65.362 -0.361 1
1 1050 . 15 1 1 A 91 91 ILE CB C 91 36.913 37.594 -0.681 1
1 1054 . 15 1 1 A 91 91 ILE N N 91 114.248 120.309 -6.061 1
1 1055 . 15 1 1 A 92 92 SER H H 92 8.055 8.249 -0.194 1
1 1056 . 15 1 1 A 92 92 SER HA H 92 4.045 4.062 -0.017 1
1 1059 . 15 1 1 A 92 92 SER C C 92 177.204 177.195 0.009 1
1 1060 . 15 1 1 A 92 92 SER CA C 92 61.923 61.713 0.210 1
1 1061 . 15 1 1 A 92 92 SER CB C 92 62.767 63.061 -0.294 1
1 1062 . 15 1 1 A 92 92 SER N N 92 114.018 114.959 -0.941 1
1 1063 . 15 1 1 A 93 93 ILE H H 93 7.926 7.947 -0.021 1
1 1064 . 15 1 1 A 93 93 ILE HA H 93 3.795 3.706 0.089 1
1 1074 . 15 1 1 A 93 93 ILE C C 93 178.947 178.437 0.510 1
1 1075 . 15 1 1 A 93 93 ILE CA C 93 64.825 64.618 0.207 1
1 1076 . 15 1 1 A 93 93 ILE CB C 93 37.693 37.687 0.006 1
1 1080 . 15 1 1 A 93 93 ILE N N 93 120.974 121.022 -0.048 1
1 1081 . 15 1 1 A 94 94 LEU H H 94 7.678 7.959 -0.281 1
1 1082 . 15 1 1 A 94 94 LEU HA H 94 3.634 3.786 -0.152 1
1 1092 . 15 1 1 A 94 94 LEU C C 94 178.551 179.118 -0.567 1
1 1093 . 15 1 1 A 94 94 LEU CA C 94 57.861 57.880 -0.019 1
1 1094 . 15 1 1 A 94 94 LEU CB C 94 42.356 41.734 0.622 1
1 1098 . 15 1 1 A 94 94 LEU N N 94 121.223 119.553 1.670 1
1 1099 . 15 1 1 A 95 95 LEU H H 95 8.954 8.666 0.288 1
1 1100 . 15 1 1 A 95 95 LEU HA H 95 4.037 3.952 0.085 1
1 1110 . 15 1 1 A 95 95 LEU C C 95 180.858 179.601 1.257 1
1 1111 . 15 1 1 A 95 95 LEU CA C 95 58.194 57.617 0.577 1
1 1112 . 15 1 1 A 95 95 LEU CB C 95 41.286 41.462 -0.176 1
1 1116 . 15 1 1 A 95 95 LEU N N 95 118.177 117.516 0.661 1
1 1117 . 15 1 1 A 96 96 ASN H H 96 8.235 8.008 0.227 1
1 1118 . 15 1 1 A 96 96 ASN HA H 96 4.445 4.545 -0.100 1
1 1123 . 15 1 1 A 96 96 ASN C C 96 177.901 177.700 0.201 1
1 1124 . 15 1 1 A 96 96 ASN CA C 96 56.347 56.168 0.179 1
1 1125 . 15 1 1 A 96 96 ASN CB C 96 38.105 38.288 -0.183 1
1 1126 . 15 1 1 A 96 96 ASN N N 96 117.502 117.965 -0.463 1
1 1128 . 15 1 1 A 97 97 ALA H H 97 7.756 8.024 -0.268 1
1 1129 . 15 1 1 A 97 97 ALA HA H 97 4.305 4.170 0.135 1
1 1133 . 15 1 1 A 97 97 ALA C C 97 180.315 180.261 0.054 1
1 1134 . 15 1 1 A 97 97 ALA CA C 97 54.906 54.842 0.064 1
1 1135 . 15 1 1 A 97 97 ALA CB C 97 19.214 18.660 0.554 1
1 1136 . 15 1 1 A 97 97 ALA N N 97 123.457 122.887 0.570 1
1 1137 . 15 1 1 A 98 98 LEU H H 98 8.335 8.413 -0.078 1
1 1138 . 15 1 1 A 98 98 LEU HA H 98 4.055 4.021 0.034 1
1 1148 . 15 1 1 A 98 98 LEU C C 98 179.542 178.899 0.643 1
1 1149 . 15 1 1 A 98 98 LEU CA C 98 57.578 58.264 -0.686 1
1 1150 . 15 1 1 A 98 98 LEU CB C 98 42.174 41.628 0.546 1
1 1154 . 15 1 1 A 98 98 LEU N N 98 119.610 119.874 -0.264 1
1 1155 . 15 1 1 A 99 99 LYS H H 99 7.969 7.930 0.039 1
1 1156 . 15 1 1 A 99 99 LYS HA H 99 4.203 4.392 -0.189 1
1 1165 . 15 1 1 A 99 99 LYS C C 99 178.392 178.668 -0.276 1
1 1166 . 15 1 1 A 99 99 LYS CA C 99 58.563 58.874 -0.311 1
1 1167 . 15 1 1 A 99 99 LYS CB C 99 32.267 32.159 0.108 1
1 1171 . 15 1 1 A 99 99 LYS N N 99 119.323 118.385 0.938 1
1 1172 . 15 1 1 A 100 100 SER H H 100 7.854 7.508 0.346 1
1 1173 . 15 1 1 A 100 100 SER HA H 100 4.404 4.131 0.273 1
1 1176 . 15 1 1 A 100 100 SER C C 100 175.449 176.541 -1.092 1
1 1177 . 15 1 1 A 100 100 SER CA C 100 60.076 61.595 -1.519 1
1 1178 . 15 1 1 A 100 100 SER CB C 100 63.600 62.874 0.726 1
1 1179 . 15 1 1 A 100 100 SER N N 100 114.116 115.051 -0.935 1
1 1180 . 15 1 1 A 101 101 GLN H H 101 7.863 8.114 -0.251 1
1 1181 . 15 1 1 A 101 101 GLN HA H 101 4.294 4.242 0.052 1
1 1188 . 15 1 1 A 101 101 GLN C C 101 176.613 175.914 0.699 1
1 1189 . 15 1 1 A 101 101 GLN CA C 101 57.121 57.452 -0.331 1
1 1190 . 15 1 1 A 101 101 GLN CB C 101 29.761 27.944 1.817 1
1 1192 . 15 1 1 A 101 101 GLN N N 101 120.923 117.296 3.627 1
1 1194 . 15 1 1 A 102 102 SER H H 102 8.170 8.153 0.017 1
1 1195 . 15 1 1 A 102 102 SER HA H 102 4.445 4.996 -0.551 1
1 1198 . 15 1 1 A 102 102 SER C C 102 175.030 173.102 1.928 1
1 1199 . 15 1 1 A 102 102 SER CA C 102 59.162 57.665 1.497 1
1 1200 . 15 1 1 A 102 102 SER CB C 102 63.466 64.892 -1.426 1
1 1201 . 15 1 1 A 102 102 SER N N 102 115.689 115.838 -0.149 1
1 1202 . 15 1 1 A 103 103 LEU H H 103 8.111 8.891 -0.780 1
1 1203 . 15 1 1 A 103 103 LEU HA H 103 4.400 4.854 -0.454 1
1 1213 . 15 1 1 A 103 103 LEU C C 103 178.263 176.455 1.808 1
1 1214 . 15 1 1 A 103 103 LEU CA C 103 55.908 53.805 2.103 1
1 1215 . 15 1 1 A 103 103 LEU CB C 103 42.215 43.723 -1.508 1
1 1219 . 15 1 1 A 103 103 LEU N N 103 123.252 127.625 -4.373 1
1 1220 . 15 1 1 A 104 104 THR H H 104 8.064 8.504 -0.440 1
1 1221 . 15 1 1 A 104 104 THR HA H 104 4.354 4.357 -0.003 1
1 1226 . 15 1 1 A 104 104 THR C C 104 175.092 174.570 0.522 1
1 1227 . 15 1 1 A 104 104 THR CA C 104 62.368 62.153 0.215 1
1 1228 . 15 1 1 A 104 104 THR CB C 104 69.673 69.727 -0.054 1
1 1230 . 15 1 1 A 104 104 THR N N 104 113.441 116.102 -2.661 1
1 1231 . 15 1 1 A 105 105 SER H H 105 8.231 8.725 -0.494 1
1 1232 . 15 1 1 A 105 105 SER C C 105 177.959 174.405 3.554 1
1 1233 . 15 1 1 A 105 105 SER CA C 105 58.406 58.885 -0.479 1
1 1234 . 15 1 1 A 105 105 SER CB C 105 63.507 64.046 -0.539 1
1 1235 . 15 1 1 A 105 105 SER N N 105 117.638 121.156 -3.518 1
1 1236 . 15 1 1 A 106 106 GLN HA H 106 4.365 4.464 -0.099 1
1 1239 . 15 1 1 A 106 106 GLN C C 106 176.322 174.743 1.579 1
1 1240 . 15 1 1 A 106 106 GLN CA C 106 56.189 55.713 0.476 1
1 1241 . 15 1 1 A 106 106 GLN CB C 106 29.226 27.870 1.356 1
1 1243 . 15 1 1 A 107 107 SER H H 107 8.287 7.694 0.593 1
1 1244 . 15 1 1 A 107 107 SER HA H 107 4.404 4.780 -0.376 1
1 1246 . 15 1 1 A 107 107 SER C C 107 174.687 173.280 1.407 1
1 1247 . 15 1 1 A 107 107 SER CA C 107 58.722 55.717 3.005 1
1 1248 . 15 1 1 A 107 107 SER CB C 107 63.713 65.823 -2.110 1
1 1249 . 15 1 1 A 107 107 SER N N 107 116.578 116.459 0.119 1
1 1250 . 15 1 1 A 108 108 GLN H H 108 8.354 8.258 0.096 1
1 1251 . 15 1 1 A 108 108 GLN HA H 108 4.349 4.120 0.229 1
1 1258 . 15 1 1 A 108 108 GLN C C 108 175.798 175.552 0.246 1
1 1259 . 15 1 1 A 108 108 GLN CA C 108 55.820 57.103 -1.283 1
1 1260 . 15 1 1 A 108 108 GLN CB C 108 29.432 29.221 0.211 1
1 1262 . 15 1 1 A 108 108 GLN N N 108 122.015 124.365 -2.350 1
1 1264 . 15 1 1 A 109 109 ALA H H 109 8.301 8.116 0.185 1
1 1265 . 15 1 1 A 109 109 ALA HA H 109 4.345 4.775 -0.430 1
1 1269 . 15 1 1 A 109 109 ALA C C 109 177.749 176.630 1.119 1
1 1270 . 15 1 1 A 109 109 ALA CA C 109 52.672 50.253 2.419 1
1 1271 . 15 1 1 A 109 109 ALA CB C 109 19.237 21.712 -2.475 1
1 1272 . 15 1 1 A 109 109 ALA N N 109 125.243 129.031 -3.788 1
1 1273 . 15 1 1 A 110 110 SER H H 110 8.290 8.467 -0.177 1
1 1274 . 15 1 1 A 110 110 SER HA H 110 4.459 4.582 -0.123 1
1 1277 . 15 1 1 A 110 110 SER C C 110 174.593 174.879 -0.286 1
1 1278 . 15 1 1 A 110 110 SER CA C 110 58.248 59.684 -1.436 1
1 1279 . 15 1 1 A 110 110 SER CB C 110 63.918 64.869 -0.951 1
1 1280 . 15 1 1 A 110 110 SER N N 110 115.148 111.970 3.178 1
1 1281 . 15 1 1 A 111 111 GLY H H 111 8.199 8.077 0.122 1
1 1282 . 15 1 1 A 111 111 GLY HA2 H 111 4.167 3.885 0.282 1
1 1283 . 15 1 1 A 111 111 GLY HA3 H 111 4.094 3.885 0.209 1
1 1284 . 15 1 1 A 111 111 GLY C C 111 171.782 175.589 -3.807 1
1 1285 . 15 1 1 A 111 111 GLY CA C 111 44.652 47.068 -2.416 1
1 1286 . 15 1 1 A 111 111 GLY N N 111 110.586 108.384 2.202 1
1 1287 . 15 1 1 A 112 112 PRO HA H 112 4.471 4.424 0.047 1
1 1294 . 15 1 1 A 112 112 PRO CA C 112 63.154 64.781 -1.627 1
1 1295 . 15 1 1 A 112 112 PRO CB C 112 32.314 32.120 0.194 1
1 1 . 16 1 1 A 7 7 GLY H H 7 9.055 8.519 0.536 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.908 4.133 -0.225 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 3.968 4.155 -0.187 1
1 4 . 16 1 1 A 7 7 GLY C C 7 173.671 174.362 -0.691 1
1 5 . 16 1 1 A 7 7 GLY CA C 7 45.421 45.016 0.405 1
1 6 . 16 1 1 A 8 8 LYS H H 8 8.145 8.610 -0.465 1
1 7 . 16 1 1 A 8 8 LYS HA H 8 4.345 4.162 0.183 1
1 16 . 16 1 1 A 8 8 LYS C C 8 175.255 175.691 -0.436 1
1 17 . 16 1 1 A 8 8 LYS CA C 8 56.330 58.108 -1.778 1
1 18 . 16 1 1 A 8 8 LYS CB C 8 33.583 32.099 1.484 1
1 22 . 16 1 1 A 8 8 LYS N N 8 120.101 121.976 -1.875 1
1 23 . 16 1 1 A 9 9 VAL H H 9 7.579 7.493 0.086 1
1 24 . 16 1 1 A 9 9 VAL HA H 9 4.473 5.079 -0.606 1
1 32 . 16 1 1 A 9 9 VAL C C 9 174.860 174.455 0.405 1
1 33 . 16 1 1 A 9 9 VAL CA C 9 59.989 58.426 1.563 1
1 34 . 16 1 1 A 9 9 VAL CB C 9 34.218 36.304 -2.086 1
1 37 . 16 1 1 A 9 9 VAL N N 9 114.437 114.758 -0.321 1
1 38 . 16 1 1 A 10 10 LYS H H 10 8.236 8.769 -0.533 1
1 39 . 16 1 1 A 10 10 LYS HA H 10 4.345 4.579 -0.234 1
1 48 . 16 1 1 A 10 10 LYS C C 10 172.963 174.132 -1.169 1
1 49 . 16 1 1 A 10 10 LYS CA C 10 56.096 55.729 0.367 1
1 50 . 16 1 1 A 10 10 LYS CB C 10 36.131 36.041 0.090 1
1 54 . 16 1 1 A 10 10 LYS N N 10 122.938 121.742 1.196 1
1 55 . 16 1 1 A 11 11 SER H H 11 8.168 8.622 -0.454 1
1 56 . 16 1 1 A 11 11 SER HA H 11 5.669 5.322 0.347 1
1 59 . 16 1 1 A 11 11 SER C C 11 173.281 172.949 0.332 1
1 60 . 16 1 1 A 11 11 SER CA C 11 55.960 57.099 -1.139 1
1 61 . 16 1 1 A 11 11 SER CB C 11 66.326 66.126 0.200 1
1 62 . 16 1 1 A 11 11 SER N N 11 119.068 117.615 1.453 1
1 63 . 16 1 1 A 12 12 GLY H H 12 8.248 7.547 0.701 1
1 64 . 16 1 1 A 12 12 GLY HA2 H 12 4.168 3.859 0.309 1
1 65 . 16 1 1 A 12 12 GLY HA3 H 12 3.478 4.215 -0.737 1
1 66 . 16 1 1 A 12 12 GLY C C 12 170.778 171.194 -0.416 1
1 67 . 16 1 1 A 12 12 GLY CA C 12 45.654 45.989 -0.335 1
1 68 . 16 1 1 A 12 12 GLY N N 12 108.756 107.292 1.464 1
1 69 . 16 1 1 A 13 13 TRP H H 13 8.622 8.429 0.193 1
1 70 . 16 1 1 A 13 13 TRP HA H 13 5.398 5.231 0.167 1
1 79 . 16 1 1 A 13 13 TRP C C 13 177.511 175.121 2.390 1
1 80 . 16 1 1 A 13 13 TRP CA C 13 57.069 55.710 1.359 1
1 81 . 16 1 1 A 13 13 TRP CB C 13 30.295 30.678 -0.383 1
1 87 . 16 1 1 A 13 13 TRP N N 13 119.518 121.646 -2.128 1
1 89 . 16 1 1 A 14 14 LEU H H 14 9.524 8.835 0.689 1
1 90 . 16 1 1 A 14 14 LEU HA H 14 4.791 5.132 -0.341 1
1 100 . 16 1 1 A 14 14 LEU C C 14 175.381 175.336 0.045 1
1 101 . 16 1 1 A 14 14 LEU CA C 14 54.096 53.366 0.730 1
1 102 . 16 1 1 A 14 14 LEU CB C 14 47.682 42.692 4.990 1
1 106 . 16 1 1 A 14 14 LEU N N 14 124.165 125.790 -1.625 1
1 107 . 16 1 1 A 15 15 ASP H H 15 8.335 8.646 -0.311 1
1 108 . 16 1 1 A 15 15 ASP HA H 15 5.424 5.263 0.161 1
1 111 . 16 1 1 A 15 15 ASP C C 15 175.302 175.250 0.052 1
1 112 . 16 1 1 A 15 15 ASP CA C 15 53.252 53.894 -0.642 1
1 113 . 16 1 1 A 15 15 ASP CB C 15 42.420 41.996 0.424 1
1 114 . 16 1 1 A 15 15 ASP N N 15 120.275 125.662 -5.387 1
1 115 . 16 1 1 A 16 16 LYS H H 16 9.444 8.878 0.566 1
1 116 . 16 1 1 A 16 16 LYS HA H 16 4.781 5.175 -0.394 1
1 125 . 16 1 1 A 16 16 LYS C C 16 176.244 175.454 0.790 1
1 126 . 16 1 1 A 16 16 LYS CA C 16 54.782 54.394 0.388 1
1 127 . 16 1 1 A 16 16 LYS CB C 16 36.666 35.921 0.745 1
1 131 . 16 1 1 A 16 16 LYS N N 16 125.854 125.100 0.754 1
1 132 . 16 1 1 A 17 17 LEU H H 17 8.387 8.765 -0.378 1
1 133 . 16 1 1 A 17 17 LEU HA H 17 3.476 4.272 -0.796 1
1 143 . 16 1 1 A 17 17 LEU C C 17 175.840 176.265 -0.425 1
1 144 . 16 1 1 A 17 17 LEU CA C 17 55.715 55.004 0.711 1
1 145 . 16 1 1 A 17 17 LEU CB C 17 41.986 41.245 0.741 1
1 149 . 16 1 1 A 17 17 LEU N N 17 130.736 127.097 3.639 1
1 150 . 16 1 1 A 18 18 SER H H 18 8.378 8.317 0.061 1
1 151 . 16 1 1 A 18 18 SER HA H 18 4.563 4.410 0.153 1
1 154 . 16 1 1 A 18 18 SER C C 18 172.291 174.831 -2.540 1
1 155 . 16 1 1 A 18 18 SER CA C 18 55.697 63.321 -7.624 1
1 156 . 16 1 1 A 18 18 SER CB C 18 62.885 62.556 0.329 1
1 157 . 16 1 1 A 18 18 SER N N 18 123.037 118.646 4.391 1
1 158 . 16 1 1 A 19 19 PRO HA H 19 4.414 4.446 -0.032 1
1 165 . 16 1 1 A 19 19 PRO CA C 19 63.946 62.288 1.658 1
1 166 . 16 1 1 A 19 19 PRO CB C 19 32.128 33.157 -1.029 1
1 169 . 16 1 1 A 20 20 GLN H H 20 8.085 8.893 -0.808 1
1 170 . 16 1 1 A 20 20 GLN HA H 20 4.353 4.515 -0.162 1
1 175 . 16 1 1 A 20 20 GLN CA C 20 55.533 56.941 -1.408 1
1 176 . 16 1 1 A 20 20 GLN CB C 20 30.130 30.452 -0.322 1
1 178 . 16 1 1 A 20 20 GLN N N 20 119.721 119.035 0.686 1
1 179 . 16 1 1 A 22 22 LYS H H 22 8.151 7.524 0.627 1
1 180 . 16 1 1 A 22 22 LYS HA H 22 4.165 4.265 -0.100 1
1 185 . 16 1 1 A 22 22 LYS C C 22 176.016 176.989 -0.973 1
1 186 . 16 1 1 A 22 22 LYS CA C 22 56.717 56.357 0.360 1
1 187 . 16 1 1 A 22 22 LYS CB C 22 32.303 33.253 -0.950 1
1 191 . 16 1 1 A 23 23 ARG H H 23 8.329 8.502 -0.173 1
1 192 . 16 1 1 A 23 23 ARG HA H 23 3.937 4.410 -0.473 1
1 199 . 16 1 1 A 23 23 ARG C C 23 174.937 175.758 -0.821 1
1 200 . 16 1 1 A 23 23 ARG CA C 23 56.436 55.098 1.338 1
1 201 . 16 1 1 A 23 23 ARG CB C 23 29.144 29.710 -0.566 1
1 204 . 16 1 1 A 23 23 ARG N N 23 119.006 118.988 0.018 1
1 205 . 16 1 1 A 24 24 MET H H 24 7.965 7.589 0.376 1
1 206 . 16 1 1 A 24 24 MET HA H 24 4.492 4.685 -0.193 1
1 209 . 16 1 1 A 24 24 MET C C 24 174.737 174.794 -0.057 1
1 210 . 16 1 1 A 24 24 MET CA C 24 55.134 54.983 0.151 1
1 211 . 16 1 1 A 24 24 MET CB C 24 33.665 33.732 -0.067 1
1 213 . 16 1 1 A 24 24 MET N N 24 120.460 120.666 -0.206 1
1 214 . 16 1 1 A 25 25 PHE H H 25 8.593 9.045 -0.452 1
1 215 . 16 1 1 A 25 25 PHE HA H 25 4.788 4.888 -0.100 1
1 223 . 16 1 1 A 25 25 PHE C C 25 175.712 175.099 0.613 1
1 224 . 16 1 1 A 25 25 PHE CA C 25 57.421 57.615 -0.194 1
1 225 . 16 1 1 A 25 25 PHE CB C 25 41.890 40.107 1.783 1
1 231 . 16 1 1 A 25 25 PHE N N 25 121.330 127.249 -5.919 1
1 232 . 16 1 1 A 26 26 GLN H H 26 8.758 9.257 -0.499 1
1 233 . 16 1 1 A 26 26 GLN HA H 26 4.777 5.030 -0.253 1
1 240 . 16 1 1 A 26 26 GLN C C 26 175.149 174.610 0.539 1
1 241 . 16 1 1 A 26 26 GLN CA C 26 53.991 54.216 -0.225 1
1 242 . 16 1 1 A 26 26 GLN CB C 26 32.144 30.974 1.170 1
1 244 . 16 1 1 A 26 26 GLN N N 26 119.081 124.230 -5.149 1
1 246 . 16 1 1 A 27 27 LYS H H 27 8.913 8.727 0.186 1
1 247 . 16 1 1 A 27 27 LYS HA H 27 4.933 5.073 -0.140 1
1 256 . 16 1 1 A 27 27 LYS C C 27 177.786 175.444 2.342 1
1 257 . 16 1 1 A 27 27 LYS CA C 27 57.843 55.255 2.588 1
1 258 . 16 1 1 A 27 27 LYS CB C 27 32.720 34.189 -1.469 1
1 262 . 16 1 1 A 27 27 LYS N N 27 126.903 126.262 0.641 1
1 263 . 16 1 1 A 28 28 ARG H H 28 9.847 8.466 1.381 1
1 264 . 16 1 1 A 28 28 ARG HA H 28 5.236 5.112 0.124 1
1 271 . 16 1 1 A 28 28 ARG C C 28 173.319 175.027 -1.708 1
1 272 . 16 1 1 A 28 28 ARG CA C 28 53.481 54.650 -1.169 1
1 273 . 16 1 1 A 28 28 ARG CB C 28 34.405 34.133 0.272 1
1 276 . 16 1 1 A 28 28 ARG N N 28 127.032 125.332 1.700 1
1 277 . 16 1 1 A 29 29 TRP H H 29 8.408 8.787 -0.379 1
1 278 . 16 1 1 A 29 29 TRP HA H 29 4.424 4.685 -0.261 1
1 285 . 16 1 1 A 29 29 TRP C C 29 174.606 175.240 -0.634 1
1 286 . 16 1 1 A 29 29 TRP CA C 29 56.383 58.411 -2.028 1
1 287 . 16 1 1 A 29 29 TRP CB C 29 29.226 30.164 -0.938 1
1 292 . 16 1 1 A 29 29 TRP N N 29 124.511 126.013 -1.502 1
1 293 . 16 1 1 A 30 30 VAL H H 30 8.464 7.586 0.878 1
1 294 . 16 1 1 A 30 30 VAL HA H 30 4.736 4.967 -0.231 1
1 302 . 16 1 1 A 30 30 VAL C C 30 172.903 174.784 -1.881 1
1 303 . 16 1 1 A 30 30 VAL CA C 30 61.219 60.074 1.145 1
1 304 . 16 1 1 A 30 30 VAL CB C 30 32.925 35.260 -2.335 1
1 307 . 16 1 1 A 30 30 VAL N N 30 129.572 127.468 2.104 1
1 308 . 16 1 1 A 31 31 LYS H H 31 9.125 8.477 0.648 1
1 309 . 16 1 1 A 31 31 LYS HA H 31 5.095 4.889 0.206 1
1 318 . 16 1 1 A 31 31 LYS C C 31 175.396 174.249 1.147 1
1 319 . 16 1 1 A 31 31 LYS CA C 31 54.677 55.884 -1.207 1
1 320 . 16 1 1 A 31 31 LYS CB C 31 37.036 37.320 -0.284 1
1 324 . 16 1 1 A 31 31 LYS N N 31 124.358 124.901 -0.543 1
1 325 . 16 1 1 A 32 32 PHE H H 32 9.725 8.900 0.825 1
1 326 . 16 1 1 A 32 32 PHE HA H 32 5.905 5.321 0.584 1
1 334 . 16 1 1 A 32 32 PHE C C 32 174.555 174.682 -0.127 1
1 335 . 16 1 1 A 32 32 PHE CA C 32 56.224 56.219 0.005 1
1 336 . 16 1 1 A 32 32 PHE CB C 32 41.804 42.699 -0.895 1
1 342 . 16 1 1 A 32 32 PHE N N 32 125.979 127.760 -1.781 1
1 343 . 16 1 1 A 33 33 ASP H H 33 7.884 8.218 -0.334 1
1 344 . 16 1 1 A 33 33 ASP HA H 33 4.555 4.774 -0.219 1
1 347 . 16 1 1 A 33 33 ASP C C 33 175.730 176.750 -1.020 1
1 348 . 16 1 1 A 33 33 ASP CA C 33 52.602 52.598 0.004 1
1 349 . 16 1 1 A 33 33 ASP CB C 33 41.686 40.983 0.703 1
1 350 . 16 1 1 A 33 33 ASP N N 33 126.924 124.223 2.701 1
1 351 . 16 1 1 A 34 34 GLY H H 34 4.680 6.224 -1.544 1
1 352 . 16 1 1 A 34 34 GLY HA2 H 34 4.252 3.269 0.983 1
1 353 . 16 1 1 A 34 34 GLY HA3 H 34 3.023 3.681 -0.658 1
1 354 . 16 1 1 A 34 34 GLY C C 34 172.363 175.295 -2.932 1
1 355 . 16 1 1 A 34 34 GLY CA C 34 45.672 44.655 1.017 1
1 356 . 16 1 1 A 35 35 LEU H H 35 8.148 7.520 0.628 1
1 357 . 16 1 1 A 35 35 LEU HA H 35 4.623 4.239 0.384 1
1 367 . 16 1 1 A 35 35 LEU C C 35 177.783 176.839 0.944 1
1 368 . 16 1 1 A 35 35 LEU CA C 35 55.978 56.522 -0.544 1
1 369 . 16 1 1 A 35 35 LEU CB C 35 44.352 42.521 1.831 1
1 373 . 16 1 1 A 35 35 LEU N N 35 120.632 120.248 0.384 1
1 374 . 16 1 1 A 36 36 SER H H 36 9.064 7.800 1.264 1
1 375 . 16 1 1 A 36 36 SER HA H 36 5.059 5.138 -0.079 1
1 378 . 16 1 1 A 36 36 SER C C 36 173.878 172.812 1.066 1
1 379 . 16 1 1 A 36 36 SER CA C 36 57.667 57.590 0.077 1
1 380 . 16 1 1 A 36 36 SER CB C 36 66.140 67.084 -0.944 1
1 381 . 16 1 1 A 36 36 SER N N 36 115.030 111.489 3.541 1
1 382 . 16 1 1 A 37 37 ILE H H 37 8.981 9.489 -0.508 1
1 383 . 16 1 1 A 37 37 ILE HA H 37 5.055 5.131 -0.076 1
1 393 . 16 1 1 A 37 37 ILE C C 37 174.995 175.363 -0.368 1
1 394 . 16 1 1 A 37 37 ILE CA C 37 61.061 61.106 -0.045 1
1 395 . 16 1 1 A 37 37 ILE CB C 37 39.355 37.821 1.534 1
1 399 . 16 1 1 A 37 37 ILE N N 37 122.186 124.771 -2.585 1
1 400 . 16 1 1 A 38 38 SER H H 38 9.422 8.720 0.702 1
1 401 . 16 1 1 A 38 38 SER HA H 38 5.297 5.194 0.103 1
1 404 . 16 1 1 A 38 38 SER C C 38 172.177 173.750 -1.573 1
1 405 . 16 1 1 A 38 38 SER CA C 38 56.910 57.029 -0.119 1
1 406 . 16 1 1 A 38 38 SER CB C 38 66.018 64.790 1.228 1
1 407 . 16 1 1 A 38 38 SER N N 38 122.548 123.101 -0.553 1
1 408 . 16 1 1 A 39 39 TYR H H 39 7.649 8.157 -0.508 1
1 409 . 16 1 1 A 39 39 TYR HA H 39 6.025 6.184 -0.159 1
1 416 . 16 1 1 A 39 39 TYR C C 39 173.937 173.558 0.379 1
1 417 . 16 1 1 A 39 39 TYR CA C 39 54.144 55.250 -1.106 1
1 418 . 16 1 1 A 39 39 TYR CB C 39 41.722 42.163 -0.441 1
1 423 . 16 1 1 A 39 39 TYR N N 39 116.176 119.619 -3.443 1
1 424 . 16 1 1 A 40 40 TYR H H 40 9.647 9.612 0.035 1
1 425 . 16 1 1 A 40 40 TYR HA H 40 5.044 5.181 -0.137 1
1 432 . 16 1 1 A 40 40 TYR CA C 40 56.928 56.466 0.462 1
1 433 . 16 1 1 A 40 40 TYR CB C 40 43.678 43.194 0.484 1
1 438 . 16 1 1 A 40 40 TYR N N 40 118.964 120.040 -1.076 1
1 439 . 16 1 1 A 41 41 ASN H H 41 7.712 8.927 -1.215 1
1 440 . 16 1 1 A 41 41 ASN HA H 41 4.867 5.381 -0.514 1
1 445 . 16 1 1 A 41 41 ASN CB C 41 39.279 41.457 -2.178 1
1 446 . 16 1 1 A 41 41 ASN N N 41 109.731 121.033 -11.302 1
1 448 . 16 1 1 A 42 42 ASN H H 42 9.215 8.948 0.267 1
1 449 . 16 1 1 A 42 42 ASN HA H 42 4.868 4.787 0.081 1
1 452 . 16 1 1 A 42 42 ASN CA C 42 52.812 55.507 -2.695 1
1 453 . 16 1 1 A 42 42 ASN CB C 42 39.180 39.222 -0.042 1
1 458 . 16 1 1 A 44 44 LYS CB C 44 35.364 32.714 2.650 1
1 460 . 16 1 1 A 46 46 MET H H 46 8.285 8.670 -0.385 1
1 461 . 16 1 1 A 46 46 MET HA H 46 4.218 4.798 -0.580 1
1 466 . 16 1 1 A 46 46 MET CA C 46 56.523 54.329 2.194 1
1 467 . 16 1 1 A 46 46 MET CB C 46 33.665 32.083 1.582 1
1 469 . 16 1 1 A 47 47 TYR H H 47 7.965 8.879 -0.914 1
1 470 . 16 1 1 A 47 47 TYR HA H 47 4.935 4.422 0.513 1
1 477 . 16 1 1 A 47 47 TYR CA C 47 55.861 58.149 -2.288 1
1 478 . 16 1 1 A 47 47 TYR CB C 47 38.476 38.487 -0.011 1
1 483 . 16 1 1 A 47 47 TYR N N 47 117.521 123.497 -5.976 1
1 484 . 16 1 1 A 49 49 LYS H H 49 8.704 8.459 0.245 1
1 485 . 16 1 1 A 49 49 LYS HA H 49 4.369 4.088 0.281 1
1 494 . 16 1 1 A 49 49 LYS CA C 49 54.891 57.949 -3.058 1
1 495 . 16 1 1 A 49 49 LYS CB C 49 32.501 33.486 -0.985 1
1 499 . 16 1 1 A 50 50 GLY H H 50 6.985 8.339 -1.354 1
1 500 . 16 1 1 A 50 50 GLY HA2 H 50 3.825 3.640 0.185 1
1 501 . 16 1 1 A 50 50 GLY HA3 H 50 3.265 4.061 -0.796 1
1 502 . 16 1 1 A 50 50 GLY C C 50 170.241 171.803 -1.562 1
1 503 . 16 1 1 A 50 50 GLY CA C 50 45.039 45.421 -0.382 1
1 504 . 16 1 1 A 50 50 GLY N N 50 108.097 111.560 -3.463 1
1 505 . 16 1 1 A 51 51 ILE H H 51 7.890 8.806 -0.916 1
1 506 . 16 1 1 A 51 51 ILE HA H 51 4.777 4.987 -0.210 1
1 516 . 16 1 1 A 51 51 ILE C C 51 175.026 173.322 1.704 1
1 517 . 16 1 1 A 51 51 ILE CA C 51 60.217 58.939 1.278 1
1 518 . 16 1 1 A 51 51 ILE CB C 51 42.388 41.954 0.434 1
1 522 . 16 1 1 A 51 51 ILE N N 51 117.769 122.605 -4.836 1
1 523 . 16 1 1 A 52 52 ILE H H 52 9.485 9.008 0.477 1
1 524 . 16 1 1 A 52 52 ILE HA H 52 4.533 4.801 -0.268 1
1 534 . 16 1 1 A 52 52 ILE C C 52 173.526 174.784 -1.258 1
1 535 . 16 1 1 A 52 52 ILE CA C 52 57.983 57.819 0.164 1
1 536 . 16 1 1 A 52 52 ILE CB C 52 40.324 39.395 0.929 1
1 540 . 16 1 1 A 52 52 ILE N N 52 127.899 128.697 -0.798 1
1 541 . 16 1 1 A 53 53 PRO HA H 53 4.501 4.788 -0.287 1
1 548 . 16 1 1 A 53 53 PRO C C 53 177.663 178.161 -0.498 1
1 549 . 16 1 1 A 53 53 PRO CA C 53 62.838 63.029 -0.191 1
1 550 . 16 1 1 A 53 53 PRO CB C 53 31.939 31.892 0.047 1
1 553 . 16 1 1 A 54 54 LEU H H 54 8.647 8.908 -0.261 1
1 554 . 16 1 1 A 54 54 LEU HA H 54 3.985 4.248 -0.263 1
1 564 . 16 1 1 A 54 54 LEU C C 54 178.940 178.105 0.835 1
1 565 . 16 1 1 A 54 54 LEU CA C 54 58.371 57.884 0.487 1
1 566 . 16 1 1 A 54 54 LEU CB C 54 42.388 41.722 0.666 1
1 570 . 16 1 1 A 54 54 LEU N N 54 124.847 127.279 -2.432 1
1 571 . 16 1 1 A 55 55 SER H H 55 8.278 8.394 -0.116 1
1 572 . 16 1 1 A 55 55 SER HA H 55 4.169 4.257 -0.088 1
1 575 . 16 1 1 A 55 55 SER C C 55 174.956 177.347 -2.391 1
1 576 . 16 1 1 A 55 55 SER CA C 55 59.971 61.622 -1.651 1
1 577 . 16 1 1 A 55 55 SER CB C 55 62.721 62.246 0.475 1
1 578 . 16 1 1 A 55 55 SER N N 55 109.639 114.694 -5.055 1
1 579 . 16 1 1 A 56 56 ALA H H 56 7.796 8.210 -0.414 1
1 580 . 16 1 1 A 56 56 ALA HA H 56 4.545 4.262 0.283 1
1 584 . 16 1 1 A 56 56 ALA C C 56 177.505 178.605 -1.100 1
1 585 . 16 1 1 A 56 56 ALA CA C 56 52.022 55.381 -3.359 1
1 586 . 16 1 1 A 56 56 ALA CB C 56 20.240 18.084 2.156 1
1 587 . 16 1 1 A 56 56 ALA N N 56 123.057 122.878 0.179 1
1 588 . 16 1 1 A 57 57 ILE H H 57 7.664 7.243 0.421 1
1 589 . 16 1 1 A 57 57 ILE HA H 57 4.035 4.072 -0.037 1
1 599 . 16 1 1 A 57 57 ILE C C 57 175.285 176.071 -0.786 1
1 600 . 16 1 1 A 57 57 ILE CA C 57 62.697 62.611 0.086 1
1 601 . 16 1 1 A 57 57 ILE CB C 57 38.474 37.959 0.515 1
1 605 . 16 1 1 A 57 57 ILE N N 57 119.512 118.942 0.570 1
1 606 . 16 1 1 A 58 58 SER H H 58 9.364 9.177 0.187 1
1 607 . 16 1 1 A 58 58 SER HA H 58 4.526 4.636 -0.110 1
1 610 . 16 1 1 A 58 58 SER C C 58 175.125 174.341 0.784 1
1 611 . 16 1 1 A 58 58 SER CA C 58 59.215 60.320 -1.105 1
1 612 . 16 1 1 A 58 58 SER CB C 58 63.590 64.511 -0.921 1
1 613 . 16 1 1 A 58 58 SER N N 58 122.513 122.499 0.014 1
1 614 . 16 1 1 A 59 59 THR H H 59 7.502 7.174 0.328 1
1 615 . 16 1 1 A 59 59 THR HA H 59 4.355 4.595 -0.240 1
1 620 . 16 1 1 A 59 59 THR C C 59 170.784 171.794 -1.010 1
1 621 . 16 1 1 A 59 59 THR CA C 59 61.132 61.362 -0.230 1
1 622 . 16 1 1 A 59 59 THR CB C 59 68.686 71.216 -2.530 1
1 624 . 16 1 1 A 59 59 THR N N 59 112.470 111.650 0.820 1
1 625 . 16 1 1 A 60 60 VAL H H 60 7.766 8.616 -0.850 1
1 626 . 16 1 1 A 60 60 VAL HA H 60 5.326 5.213 0.113 1
1 634 . 16 1 1 A 60 60 VAL C C 60 174.166 174.172 -0.006 1
1 635 . 16 1 1 A 60 60 VAL CA C 60 60.410 60.606 -0.196 1
1 636 . 16 1 1 A 60 60 VAL CB C 60 34.979 34.760 0.219 1
1 639 . 16 1 1 A 60 60 VAL N N 60 121.276 126.275 -4.999 1
1 640 . 16 1 1 A 61 61 ARG H H 61 8.941 8.699 0.242 1
1 641 . 16 1 1 A 61 61 ARG HA H 61 5.053 5.070 -0.017 1
1 648 . 16 1 1 A 61 61 ARG C C 61 175.460 174.862 0.598 1
1 649 . 16 1 1 A 61 61 ARG CA C 61 54.166 54.381 -0.215 1
1 650 . 16 1 1 A 61 61 ARG CB C 61 34.000 33.843 0.157 1
1 653 . 16 1 1 A 61 61 ARG N N 61 121.101 124.075 -2.974 1
1 654 . 16 1 1 A 62 62 VAL H H 62 8.627 8.559 0.068 1
1 655 . 16 1 1 A 62 62 VAL HA H 62 4.195 4.388 -0.193 1
1 663 . 16 1 1 A 62 62 VAL C C 62 175.216 175.292 -0.076 1
1 664 . 16 1 1 A 62 62 VAL CA C 62 62.926 61.979 0.947 1
1 665 . 16 1 1 A 62 62 VAL CB C 62 33.459 32.758 0.701 1
1 668 . 16 1 1 A 62 62 VAL N N 62 118.451 118.730 -0.279 1
1 669 . 16 1 1 A 63 63 GLN H H 63 7.628 8.488 -0.860 1
1 670 . 16 1 1 A 63 63 GLN HA H 63 4.575 4.682 -0.107 1
1 677 . 16 1 1 A 63 63 GLN C C 63 174.418 175.349 -0.931 1
1 678 . 16 1 1 A 63 63 GLN CA C 63 55.451 55.157 0.294 1
1 679 . 16 1 1 A 63 63 GLN CB C 63 32.062 31.165 0.897 1
1 681 . 16 1 1 A 63 63 GLN N N 63 123.160 124.778 -1.618 1
1 683 . 16 1 1 A 64 64 GLY H H 64 8.678 8.658 0.020 1
1 684 . 16 1 1 A 64 64 GLY HA2 H 64 4.025 4.055 -0.030 1
1 685 . 16 1 1 A 64 64 GLY HA3 H 64 3.895 4.055 -0.160 1
1 686 . 16 1 1 A 64 64 GLY C C 64 174.592 173.452 1.140 1
1 687 . 16 1 1 A 64 64 GLY CA C 64 45.531 44.539 0.992 1
1 688 . 16 1 1 A 64 64 GLY N N 64 112.406 115.407 -3.001 1
1 689 . 16 1 1 A 65 65 ASP HA H 65 4.625 4.593 0.032 1
1 692 . 16 1 1 A 65 65 ASP C C 65 176.902 176.236 0.666 1
1 693 . 16 1 1 A 65 65 ASP CA C 65 55.486 54.940 0.546 1
1 694 . 16 1 1 A 65 65 ASP CB C 65 40.817 40.492 0.325 1
1 695 . 16 1 1 A 66 66 ASN H H 66 7.979 8.984 -1.005 1
1 696 . 16 1 1 A 66 66 ASN HA H 66 4.554 4.317 0.237 1
1 701 . 16 1 1 A 66 66 ASN C C 66 174.456 173.955 0.501 1
1 702 . 16 1 1 A 66 66 ASN CA C 66 52.795 54.434 -1.639 1
1 703 . 16 1 1 A 66 66 ASN CB C 66 37.981 36.952 1.029 1
1 704 . 16 1 1 A 66 66 ASN N N 66 112.071 119.165 -7.094 1
1 706 . 16 1 1 A 67 67 LYS H H 67 7.476 7.487 -0.011 1
1 707 . 16 1 1 A 67 67 LYS HA H 67 5.914 5.084 0.830 1
1 716 . 16 1 1 A 67 67 LYS C C 67 177.922 175.235 2.687 1
1 717 . 16 1 1 A 67 67 LYS CA C 67 54.906 54.781 0.125 1
1 718 . 16 1 1 A 67 67 LYS CB C 67 36.707 36.943 -0.236 1
1 722 . 16 1 1 A 67 67 LYS N N 67 115.613 116.681 -1.068 1
1 723 . 16 1 1 A 68 68 PHE H H 68 9.227 8.505 0.722 1
1 724 . 16 1 1 A 68 68 PHE HA H 68 5.296 5.152 0.144 1
1 732 . 16 1 1 A 68 68 PHE C C 68 171.230 172.145 -0.915 1
1 733 . 16 1 1 A 68 68 PHE CA C 68 56.576 56.133 0.443 1
1 734 . 16 1 1 A 68 68 PHE CB C 68 42.790 42.015 0.775 1
1 740 . 16 1 1 A 68 68 PHE N N 68 117.009 117.339 -0.330 1
1 741 . 16 1 1 A 69 69 GLU H H 69 9.527 9.245 0.282 1
1 742 . 16 1 1 A 69 69 GLU HA H 69 5.434 4.932 0.502 1
1 747 . 16 1 1 A 69 69 GLU C C 69 175.659 175.578 0.081 1
1 748 . 16 1 1 A 69 69 GLU CA C 69 53.429 55.071 -1.642 1
1 749 . 16 1 1 A 69 69 GLU CB C 69 33.460 32.425 1.035 1
1 751 . 16 1 1 A 69 69 GLU N N 69 119.470 120.661 -1.191 1
1 752 . 16 1 1 A 70 70 VAL H H 70 9.486 9.404 0.082 1
1 753 . 16 1 1 A 70 70 VAL HA H 70 4.486 4.639 -0.153 1
1 761 . 16 1 1 A 70 70 VAL C C 70 174.403 175.421 -1.018 1
1 762 . 16 1 1 A 70 70 VAL CA C 70 62.240 61.853 0.387 1
1 763 . 16 1 1 A 70 70 VAL CB C 70 33.706 31.476 2.230 1
1 766 . 16 1 1 A 70 70 VAL N N 70 123.935 127.417 -3.482 1
1 767 . 16 1 1 A 71 71 VAL H H 71 8.658 8.439 0.219 1
1 768 . 16 1 1 A 71 71 VAL HA H 71 4.345 4.165 0.180 1
1 776 . 16 1 1 A 71 71 VAL C C 71 175.524 175.542 -0.018 1
1 777 . 16 1 1 A 71 71 VAL CA C 71 63.365 63.204 0.161 1
1 778 . 16 1 1 A 71 71 VAL CB C 71 32.802 31.279 1.523 1
1 781 . 16 1 1 A 71 71 VAL N N 71 129.195 128.156 1.039 1
1 782 . 16 1 1 A 72 72 THR H H 72 8.134 8.885 -0.751 1
1 783 . 16 1 1 A 72 72 THR HA H 72 5.515 5.154 0.361 1
1 788 . 16 1 1 A 72 72 THR C C 72 174.609 174.007 0.602 1
1 789 . 16 1 1 A 72 72 THR CA C 72 59.496 59.965 -0.469 1
1 790 . 16 1 1 A 72 72 THR CB C 72 72.139 71.106 1.033 1
1 792 . 16 1 1 A 72 72 THR N N 72 117.639 117.682 -0.043 1
1 793 . 16 1 1 A 73 73 THR H H 73 8.944 8.287 0.657 1
1 794 . 16 1 1 A 73 73 THR HA H 73 3.966 3.865 0.101 1
1 799 . 16 1 1 A 73 73 THR C C 73 175.783 175.115 0.668 1
1 800 . 16 1 1 A 73 73 THR CA C 73 65.880 63.800 2.080 1
1 801 . 16 1 1 A 73 73 THR CB C 73 68.604 68.595 0.009 1
1 803 . 16 1 1 A 73 73 THR N N 73 114.027 115.447 -1.420 1
1 804 . 16 1 1 A 74 74 GLN H H 74 7.997 8.933 -0.936 1
1 805 . 16 1 1 A 74 74 GLN HA H 74 4.350 3.855 0.495 1
1 812 . 16 1 1 A 74 74 GLN C C 74 175.698 174.347 1.351 1
1 813 . 16 1 1 A 74 74 GLN CA C 74 56.910 57.282 -0.372 1
1 814 . 16 1 1 A 74 74 GLN CB C 74 30.624 27.312 3.312 1
1 816 . 16 1 1 A 74 74 GLN N N 74 115.670 123.064 -7.394 1
1 818 . 16 1 1 A 75 75 ARG H H 75 7.366 7.132 0.234 1
1 819 . 16 1 1 A 75 75 ARG HA H 75 4.395 4.568 -0.173 1
1 826 . 16 1 1 A 75 75 ARG C C 75 174.546 173.604 0.942 1
1 827 . 16 1 1 A 75 75 ARG CA C 75 55.802 55.446 0.356 1
1 828 . 16 1 1 A 75 75 ARG CB C 75 32.514 33.408 -0.894 1
1 831 . 16 1 1 A 75 75 ARG N N 75 115.650 118.127 -2.477 1
1 832 . 16 1 1 A 76 76 THR H H 76 8.679 8.281 0.398 1
1 833 . 16 1 1 A 76 76 THR HA H 76 5.065 4.670 0.395 1
1 838 . 16 1 1 A 76 76 THR C C 76 173.239 173.116 0.123 1
1 839 . 16 1 1 A 76 76 THR CA C 76 61.888 60.931 0.957 1
1 840 . 16 1 1 A 76 76 THR CB C 76 69.878 71.849 -1.971 1
1 842 . 16 1 1 A 76 76 THR N N 76 120.285 117.812 2.473 1
1 843 . 16 1 1 A 77 77 PHE H H 77 9.156 9.304 -0.148 1
1 844 . 16 1 1 A 77 77 PHE HA H 77 4.385 5.052 -0.667 1
1 852 . 16 1 1 A 77 77 PHE C C 77 174.028 174.079 -0.051 1
1 853 . 16 1 1 A 77 77 PHE CA C 77 56.822 56.232 0.590 1
1 854 . 16 1 1 A 77 77 PHE CB C 77 41.640 40.959 0.681 1
1 860 . 16 1 1 A 77 77 PHE N N 77 127.212 124.776 2.436 1
1 861 . 16 1 1 A 78 78 VAL H H 78 8.374 8.720 -0.346 1
1 862 . 16 1 1 A 78 78 VAL HA H 78 4.506 4.396 0.110 1
1 870 . 16 1 1 A 78 78 VAL C C 78 173.264 174.842 -1.578 1
1 871 . 16 1 1 A 78 78 VAL CA C 78 61.730 61.320 0.410 1
1 872 . 16 1 1 A 78 78 VAL CB C 78 33.254 33.194 0.060 1
1 875 . 16 1 1 A 78 78 VAL N N 78 123.393 122.743 0.650 1
1 876 . 16 1 1 A 79 79 PHE H H 79 8.458 8.303 0.155 1
1 877 . 16 1 1 A 79 79 PHE HA H 79 5.403 4.984 0.419 1
1 885 . 16 1 1 A 79 79 PHE C C 79 173.855 173.965 -0.110 1
1 886 . 16 1 1 A 79 79 PHE CA C 79 55.151 56.065 -0.914 1
1 887 . 16 1 1 A 79 79 PHE CB C 79 42.913 42.065 0.848 1
1 893 . 16 1 1 A 79 79 PHE N N 79 123.801 126.240 -2.439 1
1 894 . 16 1 1 A 80 80 ARG H H 80 9.407 8.728 0.679 1
1 895 . 16 1 1 A 80 80 ARG HA H 80 5.134 4.979 0.155 1
1 902 . 16 1 1 A 80 80 ARG C C 80 174.634 174.801 -0.167 1
1 903 . 16 1 1 A 80 80 ARG CA C 80 54.431 54.385 0.046 1
1 904 . 16 1 1 A 80 80 ARG CB C 80 35.227 33.848 1.379 1
1 907 . 16 1 1 A 80 80 ARG N N 80 121.570 120.929 0.641 1
1 908 . 16 1 1 A 81 81 VAL H H 81 8.544 8.731 -0.187 1
1 909 . 16 1 1 A 81 81 VAL HA H 81 4.708 4.889 -0.181 1
1 917 . 16 1 1 A 81 81 VAL C C 81 175.050 175.905 -0.855 1
1 918 . 16 1 1 A 81 81 VAL CA C 81 59.602 59.480 0.122 1
1 919 . 16 1 1 A 81 81 VAL CB C 81 33.706 34.443 -0.737 1
1 922 . 16 1 1 A 81 81 VAL N N 81 122.128 120.577 1.551 1
1 923 . 16 1 1 A 82 82 GLU H H 82 8.549 8.737 -0.188 1
1 924 . 16 1 1 A 82 82 GLU HA H 82 4.132 4.446 -0.314 1
1 929 . 16 1 1 A 82 82 GLU C C 82 176.909 175.600 1.309 1
1 930 . 16 1 1 A 82 82 GLU CA C 82 58.973 57.457 1.516 1
1 931 . 16 1 1 A 82 82 GLU CB C 82 30.582 31.542 -0.960 1
1 933 . 16 1 1 A 82 82 GLU N N 82 121.776 121.937 -0.161 1
1 934 . 16 1 1 A 83 83 LYS H H 83 7.618 7.813 -0.195 1
1 935 . 16 1 1 A 83 83 LYS HA H 83 4.708 4.728 -0.020 1
1 944 . 16 1 1 A 83 83 LYS C C 83 176.665 176.587 0.078 1
1 945 . 16 1 1 A 83 83 LYS CA C 83 54.694 54.675 0.019 1
1 946 . 16 1 1 A 83 83 LYS CB C 83 34.775 35.370 -0.595 1
1 950 . 16 1 1 A 83 83 LYS N N 83 115.778 117.479 -1.701 1
1 951 . 16 1 1 A 84 84 GLU H H 84 9.150 9.060 0.090 1
1 952 . 16 1 1 A 84 84 GLU HA H 84 3.953 3.888 0.065 1
1 957 . 16 1 1 A 84 84 GLU C C 84 178.243 178.244 -0.001 1
1 958 . 16 1 1 A 84 84 GLU CA C 84 60.217 60.198 0.019 1
1 959 . 16 1 1 A 84 84 GLU CB C 84 29.843 29.568 0.275 1
1 961 . 16 1 1 A 84 84 GLU N N 84 127.798 124.269 3.529 1
1 962 . 16 1 1 A 85 85 GLU H H 85 9.626 8.376 1.250 1
1 963 . 16 1 1 A 85 85 GLU HA H 85 4.100 3.964 0.136 1
1 968 . 16 1 1 A 85 85 GLU C C 85 178.948 179.241 -0.293 1
1 969 . 16 1 1 A 85 85 GLU CA C 85 59.847 59.409 0.438 1
1 970 . 16 1 1 A 85 85 GLU CB C 85 28.897 29.183 -0.286 1
1 972 . 16 1 1 A 85 85 GLU N N 85 117.844 117.551 0.293 1
1 973 . 16 1 1 A 86 86 GLU H H 86 7.257 8.572 -1.315 1
1 974 . 16 1 1 A 86 86 GLU HA H 86 4.365 3.960 0.405 1
1 979 . 16 1 1 A 86 86 GLU C C 86 178.607 179.309 -0.702 1
1 980 . 16 1 1 A 86 86 GLU CA C 86 58.089 59.379 -1.290 1
1 981 . 16 1 1 A 86 86 GLU CB C 86 30.212 29.277 0.935 1
1 983 . 16 1 1 A 86 86 GLU N N 86 118.075 120.049 -1.974 1
1 984 . 16 1 1 A 87 87 ARG H H 87 7.919 7.985 -0.066 1
1 985 . 16 1 1 A 87 87 ARG HA H 87 3.838 4.016 -0.178 1
1 992 . 16 1 1 A 87 87 ARG C C 87 177.977 178.093 -0.116 1
1 993 . 16 1 1 A 87 87 ARG CA C 87 60.815 59.368 1.447 1
1 994 . 16 1 1 A 87 87 ARG CB C 87 28.856 30.076 -1.220 1
1 997 . 16 1 1 A 87 87 ARG N N 87 121.287 120.681 0.606 1
1 998 . 16 1 1 A 88 88 ASN H H 88 8.421 8.038 0.383 1
1 999 . 16 1 1 A 88 88 ASN HA H 88 4.295 4.457 -0.162 1
1 1004 . 16 1 1 A 88 88 ASN C C 88 177.423 177.714 -0.291 1
1 1005 . 16 1 1 A 88 88 ASN CA C 88 55.627 56.149 -0.522 1
1 1006 . 16 1 1 A 88 88 ASN CB C 88 37.136 37.881 -0.745 1
1 1007 . 16 1 1 A 88 88 ASN N N 88 116.926 115.650 1.276 1
1 1009 . 16 1 1 A 89 89 ASP H H 89 7.790 8.163 -0.373 1
1 1010 . 16 1 1 A 89 89 ASP HA H 89 4.389 4.208 0.181 1
1 1013 . 16 1 1 A 89 89 ASP C C 89 177.683 178.499 -0.816 1
1 1014 . 16 1 1 A 89 89 ASP CA C 89 57.737 57.356 0.381 1
1 1015 . 16 1 1 A 89 89 ASP CB C 89 41.352 40.283 1.069 1
1 1016 . 16 1 1 A 89 89 ASP N N 89 121.867 119.289 2.578 1
1 1017 . 16 1 1 A 90 90 TRP H H 90 7.690 8.363 -0.673 1
1 1018 . 16 1 1 A 90 90 TRP HA H 90 3.666 4.246 -0.580 1
1 1027 . 16 1 1 A 90 90 TRP C C 90 177.880 178.585 -0.705 1
1 1028 . 16 1 1 A 90 90 TRP CA C 90 61.704 59.661 2.043 1
1 1029 . 16 1 1 A 90 90 TRP CB C 90 29.594 29.217 0.377 1
1 1035 . 16 1 1 A 90 90 TRP N N 90 117.617 119.875 -2.258 1
1 1037 . 16 1 1 A 91 91 ILE H H 91 7.654 8.031 -0.377 1
1 1038 . 16 1 1 A 91 91 ILE HA H 91 3.275 3.547 -0.272 1
1 1048 . 16 1 1 A 91 91 ILE C C 91 177.138 177.902 -0.764 1
1 1049 . 16 1 1 A 91 91 ILE CA C 91 65.001 65.421 -0.420 1
1 1050 . 16 1 1 A 91 91 ILE CB C 91 36.913 37.580 -0.667 1
1 1054 . 16 1 1 A 91 91 ILE N N 91 114.248 120.430 -6.182 1
1 1055 . 16 1 1 A 92 92 SER H H 92 8.055 8.387 -0.332 1
1 1056 . 16 1 1 A 92 92 SER HA H 92 4.045 4.084 -0.039 1
1 1059 . 16 1 1 A 92 92 SER C C 92 177.204 176.294 0.910 1
1 1060 . 16 1 1 A 92 92 SER CA C 92 61.923 62.085 -0.162 1
1 1061 . 16 1 1 A 92 92 SER CB C 92 62.767 62.586 0.181 1
1 1062 . 16 1 1 A 92 92 SER N N 92 114.018 115.354 -1.336 1
1 1063 . 16 1 1 A 93 93 ILE H H 93 7.926 8.042 -0.116 1
1 1064 . 16 1 1 A 93 93 ILE HA H 93 3.795 3.728 0.067 1
1 1074 . 16 1 1 A 93 93 ILE C C 93 178.947 178.486 0.461 1
1 1075 . 16 1 1 A 93 93 ILE CA C 93 64.825 65.132 -0.307 1
1 1076 . 16 1 1 A 93 93 ILE CB C 93 37.693 37.864 -0.171 1
1 1080 . 16 1 1 A 93 93 ILE N N 93 120.974 121.886 -0.912 1
1 1081 . 16 1 1 A 94 94 LEU H H 94 7.678 7.927 -0.249 1
1 1082 . 16 1 1 A 94 94 LEU HA H 94 3.634 3.801 -0.167 1
1 1092 . 16 1 1 A 94 94 LEU C C 94 178.551 178.827 -0.276 1
1 1093 . 16 1 1 A 94 94 LEU CA C 94 57.861 57.918 -0.057 1
1 1094 . 16 1 1 A 94 94 LEU CB C 94 42.356 41.743 0.613 1
1 1098 . 16 1 1 A 94 94 LEU N N 94 121.223 119.115 2.108 1
1 1099 . 16 1 1 A 95 95 LEU H H 95 8.954 8.578 0.376 1
1 1100 . 16 1 1 A 95 95 LEU HA H 95 4.037 3.954 0.083 1
1 1110 . 16 1 1 A 95 95 LEU C C 95 180.858 179.482 1.376 1
1 1111 . 16 1 1 A 95 95 LEU CA C 95 58.194 57.836 0.358 1
1 1112 . 16 1 1 A 95 95 LEU CB C 95 41.286 41.384 -0.098 1
1 1116 . 16 1 1 A 95 95 LEU N N 95 118.177 117.831 0.346 1
1 1117 . 16 1 1 A 96 96 ASN H H 96 8.235 8.552 -0.317 1
1 1118 . 16 1 1 A 96 96 ASN HA H 96 4.445 4.424 0.021 1
1 1123 . 16 1 1 A 96 96 ASN C C 96 177.901 177.319 0.582 1
1 1124 . 16 1 1 A 96 96 ASN CA C 96 56.347 56.617 -0.270 1
1 1125 . 16 1 1 A 96 96 ASN CB C 96 38.105 38.748 -0.643 1
1 1126 . 16 1 1 A 96 96 ASN N N 96 117.502 118.734 -1.232 1
1 1128 . 16 1 1 A 97 97 ALA H H 97 7.756 7.909 -0.153 1
1 1129 . 16 1 1 A 97 97 ALA HA H 97 4.305 4.227 0.078 1
1 1133 . 16 1 1 A 97 97 ALA C C 97 180.315 179.362 0.953 1
1 1134 . 16 1 1 A 97 97 ALA CA C 97 54.906 54.288 0.618 1
1 1135 . 16 1 1 A 97 97 ALA CB C 97 19.214 18.632 0.582 1
1 1136 . 16 1 1 A 97 97 ALA N N 97 123.457 121.355 2.102 1
1 1137 . 16 1 1 A 98 98 LEU H H 98 8.335 7.594 0.741 1
1 1138 . 16 1 1 A 98 98 LEU HA H 98 4.055 4.215 -0.160 1
1 1148 . 16 1 1 A 98 98 LEU C C 98 179.542 178.527 1.015 1
1 1149 . 16 1 1 A 98 98 LEU CA C 98 57.578 57.273 0.305 1
1 1150 . 16 1 1 A 98 98 LEU CB C 98 42.174 41.940 0.234 1
1 1154 . 16 1 1 A 98 98 LEU N N 98 119.610 118.235 1.375 1
1 1155 . 16 1 1 A 99 99 LYS H H 99 7.969 8.243 -0.274 1
1 1156 . 16 1 1 A 99 99 LYS HA H 99 4.203 4.122 0.081 1
1 1165 . 16 1 1 A 99 99 LYS C C 99 178.392 178.380 0.012 1
1 1166 . 16 1 1 A 99 99 LYS CA C 99 58.563 59.004 -0.441 1
1 1167 . 16 1 1 A 99 99 LYS CB C 99 32.267 31.999 0.268 1
1 1171 . 16 1 1 A 99 99 LYS N N 99 119.323 118.283 1.040 1
1 1172 . 16 1 1 A 100 100 SER H H 100 7.854 7.647 0.207 1
1 1173 . 16 1 1 A 100 100 SER HA H 100 4.404 4.112 0.292 1
1 1176 . 16 1 1 A 100 100 SER C C 100 175.449 175.938 -0.489 1
1 1177 . 16 1 1 A 100 100 SER CA C 100 60.076 61.837 -1.761 1
1 1178 . 16 1 1 A 100 100 SER CB C 100 63.600 63.148 0.452 1
1 1179 . 16 1 1 A 100 100 SER N N 100 114.116 117.662 -3.546 1
1 1180 . 16 1 1 A 101 101 GLN H H 101 7.863 8.508 -0.645 1
1 1181 . 16 1 1 A 101 101 GLN HA H 101 4.294 4.315 -0.021 1
1 1188 . 16 1 1 A 101 101 GLN C C 101 176.613 175.897 0.716 1
1 1189 . 16 1 1 A 101 101 GLN CA C 101 57.121 56.307 0.814 1
1 1190 . 16 1 1 A 101 101 GLN CB C 101 29.761 28.264 1.497 1
1 1192 . 16 1 1 A 101 101 GLN N N 101 120.923 117.467 3.456 1
1 1194 . 16 1 1 A 102 102 SER H H 102 8.170 7.894 0.276 1
1 1195 . 16 1 1 A 102 102 SER HA H 102 4.445 4.697 -0.252 1
1 1198 . 16 1 1 A 102 102 SER C C 102 175.030 173.563 1.467 1
1 1199 . 16 1 1 A 102 102 SER CA C 102 59.162 57.046 2.116 1
1 1200 . 16 1 1 A 102 102 SER CB C 102 63.466 63.831 -0.365 1
1 1201 . 16 1 1 A 102 102 SER N N 102 115.689 116.012 -0.323 1
1 1202 . 16 1 1 A 103 103 LEU H H 103 8.111 7.287 0.824 1
1 1203 . 16 1 1 A 103 103 LEU HA H 103 4.400 4.304 0.096 1
1 1213 . 16 1 1 A 103 103 LEU C C 103 178.263 178.367 -0.104 1
1 1214 . 16 1 1 A 103 103 LEU CA C 103 55.908 55.175 0.733 1
1 1215 . 16 1 1 A 103 103 LEU CB C 103 42.215 42.597 -0.382 1
1 1219 . 16 1 1 A 103 103 LEU N N 103 123.252 123.748 -0.496 1
1 1220 . 16 1 1 A 104 104 THR H H 104 8.064 8.803 -0.739 1
1 1221 . 16 1 1 A 104 104 THR HA H 104 4.354 3.931 0.423 1
1 1226 . 16 1 1 A 104 104 THR C C 104 175.092 175.370 -0.278 1
1 1227 . 16 1 1 A 104 104 THR CA C 104 62.368 66.407 -4.039 1
1 1228 . 16 1 1 A 104 104 THR CB C 104 69.673 68.821 0.852 1
1 1230 . 16 1 1 A 104 104 THR N N 104 113.441 116.464 -3.023 1
1 1231 . 16 1 1 A 105 105 SER H H 105 8.231 7.614 0.617 1
1 1232 . 16 1 1 A 105 105 SER C C 105 177.959 174.383 3.576 1
1 1233 . 16 1 1 A 105 105 SER CA C 105 58.406 58.848 -0.442 1
1 1234 . 16 1 1 A 105 105 SER CB C 105 63.507 63.688 -0.181 1
1 1235 . 16 1 1 A 105 105 SER N N 105 117.638 114.903 2.735 1
1 1236 . 16 1 1 A 106 106 GLN HA H 106 4.365 4.180 0.185 1
1 1239 . 16 1 1 A 106 106 GLN C C 106 176.322 175.897 0.425 1
1 1240 . 16 1 1 A 106 106 GLN CA C 106 56.189 57.111 -0.922 1
1 1241 . 16 1 1 A 106 106 GLN CB C 106 29.226 28.750 0.476 1
1 1243 . 16 1 1 A 107 107 SER H H 107 8.287 8.557 -0.270 1
1 1244 . 16 1 1 A 107 107 SER HA H 107 4.404 5.221 -0.817 1
1 1246 . 16 1 1 A 107 107 SER C C 107 174.687 173.383 1.304 1
1 1247 . 16 1 1 A 107 107 SER CA C 107 58.722 56.789 1.933 1
1 1248 . 16 1 1 A 107 107 SER CB C 107 63.713 65.470 -1.757 1
1 1249 . 16 1 1 A 107 107 SER N N 107 116.578 117.750 -1.172 1
1 1250 . 16 1 1 A 108 108 GLN H H 108 8.354 8.621 -0.267 1
1 1251 . 16 1 1 A 108 108 GLN HA H 108 4.349 4.273 0.076 1
1 1258 . 16 1 1 A 108 108 GLN C C 108 175.798 175.681 0.117 1
1 1259 . 16 1 1 A 108 108 GLN CA C 108 55.820 56.450 -0.630 1
1 1260 . 16 1 1 A 108 108 GLN CB C 108 29.432 28.744 0.688 1
1 1262 . 16 1 1 A 108 108 GLN N N 108 122.015 123.320 -1.305 1
1 1264 . 16 1 1 A 109 109 ALA H H 109 8.301 8.516 -0.215 1
1 1265 . 16 1 1 A 109 109 ALA HA H 109 4.345 4.880 -0.535 1
1 1269 . 16 1 1 A 109 109 ALA C C 109 177.749 175.650 2.099 1
1 1270 . 16 1 1 A 109 109 ALA CA C 109 52.672 51.660 1.012 1
1 1271 . 16 1 1 A 109 109 ALA CB C 109 19.237 23.144 -3.907 1
1 1272 . 16 1 1 A 109 109 ALA N N 109 125.243 125.723 -0.480 1
1 1273 . 16 1 1 A 110 110 SER H H 110 8.290 8.736 -0.446 1
1 1274 . 16 1 1 A 110 110 SER HA H 110 4.459 5.144 -0.685 1
1 1277 . 16 1 1 A 110 110 SER C C 110 174.593 174.087 0.506 1
1 1278 . 16 1 1 A 110 110 SER CA C 110 58.248 57.925 0.323 1
1 1279 . 16 1 1 A 110 110 SER CB C 110 63.918 64.399 -0.481 1
1 1280 . 16 1 1 A 110 110 SER N N 110 115.148 119.235 -4.087 1
1 1281 . 16 1 1 A 111 111 GLY H H 111 8.199 8.413 -0.214 1
1 1282 . 16 1 1 A 111 111 GLY HA2 H 111 4.167 4.270 -0.103 1
1 1283 . 16 1 1 A 111 111 GLY HA3 H 111 4.094 4.271 -0.177 1
1 1284 . 16 1 1 A 111 111 GLY C C 111 171.782 171.796 -0.014 1
1 1285 . 16 1 1 A 111 111 GLY CA C 111 44.652 45.539 -0.887 1
1 1286 . 16 1 1 A 111 111 GLY N N 111 110.586 111.681 -1.095 1
1 1287 . 16 1 1 A 112 112 PRO HA H 112 4.471 4.639 -0.168 1
1 1294 . 16 1 1 A 112 112 PRO CA C 112 63.154 62.443 0.711 1
1 1295 . 16 1 1 A 112 112 PRO CB C 112 32.314 33.166 -0.852 1
1 1 . 17 1 1 A 7 7 GLY H H 7 9.055 8.726 0.329 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.908 4.026 -0.118 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 3.968 4.035 -0.067 1
1 4 . 17 1 1 A 7 7 GLY C C 7 173.671 173.695 -0.024 1
1 5 . 17 1 1 A 7 7 GLY CA C 7 45.421 44.734 0.687 1
1 6 . 17 1 1 A 8 8 LYS H H 8 8.145 8.593 -0.448 1
1 7 . 17 1 1 A 8 8 LYS HA H 8 4.345 4.512 -0.167 1
1 16 . 17 1 1 A 8 8 LYS C C 8 175.255 175.789 -0.534 1
1 17 . 17 1 1 A 8 8 LYS CA C 8 56.330 55.741 0.589 1
1 18 . 17 1 1 A 8 8 LYS CB C 8 33.583 32.915 0.668 1
1 22 . 17 1 1 A 8 8 LYS N N 8 120.101 122.168 -2.067 1
1 23 . 17 1 1 A 9 9 VAL H H 9 7.579 7.423 0.156 1
1 24 . 17 1 1 A 9 9 VAL HA H 9 4.473 4.972 -0.499 1
1 32 . 17 1 1 A 9 9 VAL C C 9 174.860 174.160 0.700 1
1 33 . 17 1 1 A 9 9 VAL CA C 9 59.989 58.704 1.285 1
1 34 . 17 1 1 A 9 9 VAL CB C 9 34.218 36.722 -2.504 1
1 37 . 17 1 1 A 9 9 VAL N N 9 114.437 117.731 -3.294 1
1 38 . 17 1 1 A 10 10 LYS H H 10 8.236 8.649 -0.413 1
1 39 . 17 1 1 A 10 10 LYS HA H 10 4.345 4.556 -0.211 1
1 48 . 17 1 1 A 10 10 LYS C C 10 172.963 174.129 -1.166 1
1 49 . 17 1 1 A 10 10 LYS CA C 10 56.096 55.799 0.297 1
1 50 . 17 1 1 A 10 10 LYS CB C 10 36.131 35.831 0.300 1
1 54 . 17 1 1 A 10 10 LYS N N 10 122.938 122.006 0.932 1
1 55 . 17 1 1 A 11 11 SER H H 11 8.168 8.497 -0.329 1
1 56 . 17 1 1 A 11 11 SER HA H 11 5.669 5.504 0.165 1
1 59 . 17 1 1 A 11 11 SER C C 11 173.281 173.104 0.177 1
1 60 . 17 1 1 A 11 11 SER CA C 11 55.960 57.571 -1.611 1
1 61 . 17 1 1 A 11 11 SER CB C 11 66.326 66.320 0.006 1
1 62 . 17 1 1 A 11 11 SER N N 11 119.068 120.875 -1.807 1
1 63 . 17 1 1 A 12 12 GLY H H 12 8.248 7.605 0.643 1
1 64 . 17 1 1 A 12 12 GLY HA2 H 12 4.168 3.567 0.601 1
1 65 . 17 1 1 A 12 12 GLY HA3 H 12 3.478 4.128 -0.650 1
1 66 . 17 1 1 A 12 12 GLY C C 12 170.778 171.307 -0.529 1
1 67 . 17 1 1 A 12 12 GLY CA C 12 45.654 45.424 0.230 1
1 68 . 17 1 1 A 12 12 GLY N N 12 108.756 110.453 -1.697 1
1 69 . 17 1 1 A 13 13 TRP H H 13 8.622 8.680 -0.058 1
1 70 . 17 1 1 A 13 13 TRP HA H 13 5.398 4.857 0.541 1
1 79 . 17 1 1 A 13 13 TRP C C 13 177.511 176.342 1.169 1
1 80 . 17 1 1 A 13 13 TRP CA C 13 57.069 58.226 -1.157 1
1 81 . 17 1 1 A 13 13 TRP CB C 13 30.295 29.418 0.877 1
1 87 . 17 1 1 A 13 13 TRP N N 13 119.518 121.108 -1.590 1
1 89 . 17 1 1 A 14 14 LEU H H 14 9.524 8.443 1.081 1
1 90 . 17 1 1 A 14 14 LEU HA H 14 4.791 5.001 -0.210 1
1 100 . 17 1 1 A 14 14 LEU C C 14 175.381 175.889 -0.508 1
1 101 . 17 1 1 A 14 14 LEU CA C 14 54.096 53.060 1.036 1
1 102 . 17 1 1 A 14 14 LEU CB C 14 47.682 45.085 2.597 1
1 106 . 17 1 1 A 14 14 LEU N N 14 124.165 126.007 -1.842 1
1 107 . 17 1 1 A 15 15 ASP H H 15 8.335 8.423 -0.088 1
1 108 . 17 1 1 A 15 15 ASP HA H 15 5.424 4.884 0.540 1
1 111 . 17 1 1 A 15 15 ASP C C 15 175.302 175.530 -0.228 1
1 112 . 17 1 1 A 15 15 ASP CA C 15 53.252 54.195 -0.943 1
1 113 . 17 1 1 A 15 15 ASP CB C 15 42.420 41.067 1.353 1
1 114 . 17 1 1 A 15 15 ASP N N 15 120.275 125.131 -4.856 1
1 115 . 17 1 1 A 16 16 LYS H H 16 9.444 9.186 0.258 1
1 116 . 17 1 1 A 16 16 LYS HA H 16 4.781 4.345 0.436 1
1 125 . 17 1 1 A 16 16 LYS C C 16 176.244 176.302 -0.058 1
1 126 . 17 1 1 A 16 16 LYS CA C 16 54.782 55.380 -0.598 1
1 127 . 17 1 1 A 16 16 LYS CB C 16 36.666 33.660 3.006 1
1 131 . 17 1 1 A 16 16 LYS N N 16 125.854 125.360 0.494 1
1 132 . 17 1 1 A 17 17 LEU H H 17 8.387 8.207 0.180 1
1 133 . 17 1 1 A 17 17 LEU HA H 17 3.476 3.734 -0.258 1
1 143 . 17 1 1 A 17 17 LEU C C 17 175.840 176.080 -0.240 1
1 144 . 17 1 1 A 17 17 LEU CA C 17 55.715 54.354 1.361 1
1 145 . 17 1 1 A 17 17 LEU CB C 17 41.986 42.789 -0.803 1
1 149 . 17 1 1 A 17 17 LEU N N 17 130.736 121.690 9.046 1
1 150 . 17 1 1 A 18 18 SER H H 18 8.378 8.192 0.186 1
1 151 . 17 1 1 A 18 18 SER HA H 18 4.563 4.843 -0.280 1
1 154 . 17 1 1 A 18 18 SER C C 18 172.291 172.133 0.158 1
1 155 . 17 1 1 A 18 18 SER CA C 18 55.697 55.796 -0.099 1
1 156 . 17 1 1 A 18 18 SER CB C 18 62.885 63.437 -0.552 1
1 157 . 17 1 1 A 18 18 SER N N 18 123.037 117.121 5.916 1
1 158 . 17 1 1 A 19 19 PRO HA H 19 4.414 4.437 -0.023 1
1 165 . 17 1 1 A 19 19 PRO CA C 19 63.946 63.057 0.889 1
1 166 . 17 1 1 A 19 19 PRO CB C 19 32.128 32.523 -0.395 1
1 169 . 17 1 1 A 20 20 GLN H H 20 8.085 8.841 -0.756 1
1 170 . 17 1 1 A 20 20 GLN HA H 20 4.353 3.880 0.473 1
1 175 . 17 1 1 A 20 20 GLN CA C 20 55.533 56.820 -1.287 1
1 176 . 17 1 1 A 20 20 GLN CB C 20 30.130 27.801 2.329 1
1 178 . 17 1 1 A 20 20 GLN N N 20 119.721 121.110 -1.389 1
1 179 . 17 1 1 A 22 22 LYS H H 22 8.151 8.887 -0.736 1
1 180 . 17 1 1 A 22 22 LYS HA H 22 4.165 3.944 0.221 1
1 185 . 17 1 1 A 22 22 LYS C C 22 176.016 177.513 -1.497 1
1 186 . 17 1 1 A 22 22 LYS CA C 22 56.717 59.171 -2.454 1
1 187 . 17 1 1 A 22 22 LYS CB C 22 32.303 32.539 -0.236 1
1 191 . 17 1 1 A 23 23 ARG H H 23 8.329 7.636 0.693 1
1 192 . 17 1 1 A 23 23 ARG HA H 23 3.937 4.365 -0.428 1
1 199 . 17 1 1 A 23 23 ARG C C 23 174.937 175.856 -0.919 1
1 200 . 17 1 1 A 23 23 ARG CA C 23 56.436 56.642 -0.206 1
1 201 . 17 1 1 A 23 23 ARG CB C 23 29.144 31.126 -1.982 1
1 204 . 17 1 1 A 23 23 ARG N N 23 119.006 118.371 0.635 1
1 205 . 17 1 1 A 24 24 MET H H 24 7.965 8.928 -0.963 1
1 206 . 17 1 1 A 24 24 MET HA H 24 4.492 4.576 -0.084 1
1 209 . 17 1 1 A 24 24 MET C C 24 174.737 176.308 -1.571 1
1 210 . 17 1 1 A 24 24 MET CA C 24 55.134 56.952 -1.818 1
1 211 . 17 1 1 A 24 24 MET CB C 24 33.665 34.730 -1.065 1
1 213 . 17 1 1 A 24 24 MET N N 24 120.460 120.577 -0.117 1
1 214 . 17 1 1 A 25 25 PHE H H 25 8.593 7.654 0.939 1
1 215 . 17 1 1 A 25 25 PHE HA H 25 4.788 5.115 -0.327 1
1 223 . 17 1 1 A 25 25 PHE C C 25 175.712 174.382 1.330 1
1 224 . 17 1 1 A 25 25 PHE CA C 25 57.421 56.348 1.073 1
1 225 . 17 1 1 A 25 25 PHE CB C 25 41.890 43.332 -1.442 1
1 231 . 17 1 1 A 25 25 PHE N N 25 121.330 114.647 6.683 1
1 232 . 17 1 1 A 26 26 GLN H H 26 8.758 8.934 -0.176 1
1 233 . 17 1 1 A 26 26 GLN HA H 26 4.777 4.935 -0.158 1
1 240 . 17 1 1 A 26 26 GLN C C 26 175.149 174.053 1.096 1
1 241 . 17 1 1 A 26 26 GLN CA C 26 53.991 54.698 -0.707 1
1 242 . 17 1 1 A 26 26 GLN CB C 26 32.144 30.814 1.330 1
1 244 . 17 1 1 A 26 26 GLN N N 26 119.081 121.340 -2.259 1
1 246 . 17 1 1 A 27 27 LYS H H 27 8.913 8.863 0.050 1
1 247 . 17 1 1 A 27 27 LYS HA H 27 4.933 4.832 0.101 1
1 256 . 17 1 1 A 27 27 LYS C C 27 177.786 175.494 2.292 1
1 257 . 17 1 1 A 27 27 LYS CA C 27 57.843 55.722 2.121 1
1 258 . 17 1 1 A 27 27 LYS CB C 27 32.720 33.250 -0.530 1
1 262 . 17 1 1 A 27 27 LYS N N 27 126.903 124.797 2.106 1
1 263 . 17 1 1 A 28 28 ARG H H 28 9.847 8.614 1.233 1
1 264 . 17 1 1 A 28 28 ARG HA H 28 5.236 5.204 0.032 1
1 271 . 17 1 1 A 28 28 ARG C C 28 173.319 175.224 -1.905 1
1 272 . 17 1 1 A 28 28 ARG CA C 28 53.481 54.447 -0.966 1
1 273 . 17 1 1 A 28 28 ARG CB C 28 34.405 33.468 0.937 1
1 276 . 17 1 1 A 28 28 ARG N N 28 127.032 126.041 0.991 1
1 277 . 17 1 1 A 29 29 TRP H H 29 8.408 8.617 -0.209 1
1 278 . 17 1 1 A 29 29 TRP HA H 29 4.424 4.551 -0.127 1
1 285 . 17 1 1 A 29 29 TRP C C 29 174.606 174.849 -0.243 1
1 286 . 17 1 1 A 29 29 TRP CA C 29 56.383 57.645 -1.262 1
1 287 . 17 1 1 A 29 29 TRP CB C 29 29.226 30.049 -0.823 1
1 292 . 17 1 1 A 29 29 TRP N N 29 124.511 124.466 0.045 1
1 293 . 17 1 1 A 30 30 VAL H H 30 8.464 7.720 0.744 1
1 294 . 17 1 1 A 30 30 VAL HA H 30 4.736 4.766 -0.030 1
1 302 . 17 1 1 A 30 30 VAL C C 30 172.903 174.352 -1.449 1
1 303 . 17 1 1 A 30 30 VAL CA C 30 61.219 60.279 0.940 1
1 304 . 17 1 1 A 30 30 VAL CB C 30 32.925 34.459 -1.534 1
1 307 . 17 1 1 A 30 30 VAL N N 30 129.572 127.329 2.243 1
1 308 . 17 1 1 A 31 31 LYS H H 31 9.125 8.258 0.867 1
1 309 . 17 1 1 A 31 31 LYS HA H 31 5.095 5.390 -0.295 1
1 318 . 17 1 1 A 31 31 LYS C C 31 175.396 174.253 1.143 1
1 319 . 17 1 1 A 31 31 LYS CA C 31 54.677 55.217 -0.540 1
1 320 . 17 1 1 A 31 31 LYS CB C 31 37.036 36.411 0.625 1
1 324 . 17 1 1 A 31 31 LYS N N 31 124.358 126.664 -2.306 1
1 325 . 17 1 1 A 32 32 PHE H H 32 9.725 8.680 1.045 1
1 326 . 17 1 1 A 32 32 PHE HA H 32 5.905 5.278 0.627 1
1 334 . 17 1 1 A 32 32 PHE C C 32 174.555 173.636 0.919 1
1 335 . 17 1 1 A 32 32 PHE CA C 32 56.224 56.354 -0.130 1
1 336 . 17 1 1 A 32 32 PHE CB C 32 41.804 42.637 -0.833 1
1 342 . 17 1 1 A 32 32 PHE N N 32 125.979 127.671 -1.692 1
1 343 . 17 1 1 A 33 33 ASP H H 33 7.884 8.076 -0.192 1
1 344 . 17 1 1 A 33 33 ASP HA H 33 4.555 4.625 -0.070 1
1 347 . 17 1 1 A 33 33 ASP C C 33 175.730 175.706 0.024 1
1 348 . 17 1 1 A 33 33 ASP CA C 33 52.602 52.801 -0.199 1
1 349 . 17 1 1 A 33 33 ASP CB C 33 41.686 40.981 0.705 1
1 350 . 17 1 1 A 33 33 ASP N N 33 126.924 127.691 -0.767 1
1 351 . 17 1 1 A 34 34 GLY H H 34 4.680 5.987 -1.307 1
1 352 . 17 1 1 A 34 34 GLY HA2 H 34 4.252 3.314 0.938 1
1 353 . 17 1 1 A 34 34 GLY HA3 H 34 3.023 3.654 -0.631 1
1 354 . 17 1 1 A 34 34 GLY C C 34 172.363 175.521 -3.158 1
1 355 . 17 1 1 A 34 34 GLY CA C 34 45.672 44.827 0.845 1
1 356 . 17 1 1 A 35 35 LEU H H 35 8.148 7.940 0.208 1
1 357 . 17 1 1 A 35 35 LEU HA H 35 4.623 4.062 0.561 1
1 367 . 17 1 1 A 35 35 LEU C C 35 177.783 176.901 0.882 1
1 368 . 17 1 1 A 35 35 LEU CA C 35 55.978 57.766 -1.788 1
1 369 . 17 1 1 A 35 35 LEU CB C 35 44.352 42.174 2.178 1
1 373 . 17 1 1 A 35 35 LEU N N 35 120.632 120.459 0.173 1
1 374 . 17 1 1 A 36 36 SER H H 36 9.064 7.826 1.238 1
1 375 . 17 1 1 A 36 36 SER HA H 36 5.059 5.060 -0.001 1
1 378 . 17 1 1 A 36 36 SER C C 36 173.878 172.455 1.423 1
1 379 . 17 1 1 A 36 36 SER CA C 36 57.667 57.780 -0.113 1
1 380 . 17 1 1 A 36 36 SER CB C 36 66.140 67.525 -1.385 1
1 381 . 17 1 1 A 36 36 SER N N 36 115.030 110.664 4.366 1
1 382 . 17 1 1 A 37 37 ILE H H 37 8.981 8.749 0.232 1
1 383 . 17 1 1 A 37 37 ILE HA H 37 5.055 5.063 -0.008 1
1 393 . 17 1 1 A 37 37 ILE C C 37 174.995 174.612 0.383 1
1 394 . 17 1 1 A 37 37 ILE CA C 37 61.061 60.771 0.290 1
1 395 . 17 1 1 A 37 37 ILE CB C 37 39.355 38.903 0.452 1
1 399 . 17 1 1 A 37 37 ILE N N 37 122.186 121.976 0.210 1
1 400 . 17 1 1 A 38 38 SER H H 38 9.422 8.797 0.625 1
1 401 . 17 1 1 A 38 38 SER HA H 38 5.297 4.924 0.373 1
1 404 . 17 1 1 A 38 38 SER C C 38 172.177 173.006 -0.829 1
1 405 . 17 1 1 A 38 38 SER CA C 38 56.910 57.800 -0.890 1
1 406 . 17 1 1 A 38 38 SER CB C 38 66.018 63.789 2.229 1
1 407 . 17 1 1 A 38 38 SER N N 38 122.548 125.166 -2.618 1
1 408 . 17 1 1 A 39 39 TYR H H 39 7.649 8.666 -1.017 1
1 409 . 17 1 1 A 39 39 TYR HA H 39 6.025 5.781 0.244 1
1 416 . 17 1 1 A 39 39 TYR C C 39 173.937 174.486 -0.549 1
1 417 . 17 1 1 A 39 39 TYR CA C 39 54.144 55.601 -1.457 1
1 418 . 17 1 1 A 39 39 TYR CB C 39 41.722 40.765 0.957 1
1 423 . 17 1 1 A 39 39 TYR N N 39 116.176 123.516 -7.340 1
1 424 . 17 1 1 A 40 40 TYR H H 40 9.647 8.968 0.679 1
1 425 . 17 1 1 A 40 40 TYR HA H 40 5.044 5.111 -0.067 1
1 432 . 17 1 1 A 40 40 TYR CA C 40 56.928 57.339 -0.411 1
1 433 . 17 1 1 A 40 40 TYR CB C 40 43.678 42.189 1.489 1
1 438 . 17 1 1 A 40 40 TYR N N 40 118.964 122.692 -3.728 1
1 439 . 17 1 1 A 41 41 ASN H H 41 7.712 8.568 -0.856 1
1 440 . 17 1 1 A 41 41 ASN HA H 41 4.867 5.525 -0.658 1
1 445 . 17 1 1 A 41 41 ASN CB C 41 39.279 41.143 -1.864 1
1 446 . 17 1 1 A 41 41 ASN N N 41 109.731 118.126 -8.395 1
1 448 . 17 1 1 A 42 42 ASN H H 42 9.215 9.258 -0.043 1
1 449 . 17 1 1 A 42 42 ASN HA H 42 4.868 4.403 0.465 1
1 452 . 17 1 1 A 42 42 ASN CA C 42 52.812 57.608 -4.796 1
1 453 . 17 1 1 A 42 42 ASN CB C 42 39.180 38.982 0.198 1
1 458 . 17 1 1 A 44 44 LYS CB C 44 35.364 33.929 1.435 1
1 460 . 17 1 1 A 46 46 MET H H 46 8.285 8.567 -0.282 1
1 461 . 17 1 1 A 46 46 MET HA H 46 4.218 3.765 0.453 1
1 466 . 17 1 1 A 46 46 MET CA C 46 56.523 56.526 -0.003 1
1 467 . 17 1 1 A 46 46 MET CB C 46 33.665 31.357 2.308 1
1 469 . 17 1 1 A 47 47 TYR H H 47 7.965 7.718 0.247 1
1 470 . 17 1 1 A 47 47 TYR HA H 47 4.935 5.059 -0.124 1
1 477 . 17 1 1 A 47 47 TYR CA C 47 55.861 56.722 -0.861 1
1 478 . 17 1 1 A 47 47 TYR CB C 47 38.476 42.459 -3.983 1
1 483 . 17 1 1 A 47 47 TYR N N 47 117.521 118.151 -0.630 1
1 484 . 17 1 1 A 49 49 LYS H H 49 8.704 8.989 -0.285 1
1 485 . 17 1 1 A 49 49 LYS HA H 49 4.369 4.623 -0.254 1
1 494 . 17 1 1 A 49 49 LYS CA C 49 54.891 55.221 -0.330 1
1 495 . 17 1 1 A 49 49 LYS CB C 49 32.501 33.333 -0.832 1
1 499 . 17 1 1 A 50 50 GLY H H 50 6.985 7.528 -0.543 1
1 500 . 17 1 1 A 50 50 GLY HA2 H 50 3.825 4.203 -0.378 1
1 501 . 17 1 1 A 50 50 GLY HA3 H 50 3.265 4.306 -1.041 1
1 502 . 17 1 1 A 50 50 GLY C C 50 170.241 171.971 -1.730 1
1 503 . 17 1 1 A 50 50 GLY CA C 50 45.039 44.814 0.225 1
1 504 . 17 1 1 A 50 50 GLY N N 50 108.097 108.409 -0.312 1
1 505 . 17 1 1 A 51 51 ILE H H 51 7.890 8.973 -1.083 1
1 506 . 17 1 1 A 51 51 ILE HA H 51 4.777 4.849 -0.072 1
1 516 . 17 1 1 A 51 51 ILE C C 51 175.026 173.336 1.690 1
1 517 . 17 1 1 A 51 51 ILE CA C 51 60.217 58.912 1.305 1
1 518 . 17 1 1 A 51 51 ILE CB C 51 42.388 42.254 0.134 1
1 522 . 17 1 1 A 51 51 ILE N N 51 117.769 123.334 -5.565 1
1 523 . 17 1 1 A 52 52 ILE H H 52 9.485 8.763 0.722 1
1 524 . 17 1 1 A 52 52 ILE HA H 52 4.533 4.674 -0.141 1
1 534 . 17 1 1 A 52 52 ILE C C 52 173.526 174.589 -1.063 1
1 535 . 17 1 1 A 52 52 ILE CA C 52 57.983 57.691 0.292 1
1 536 . 17 1 1 A 52 52 ILE CB C 52 40.324 39.619 0.705 1
1 540 . 17 1 1 A 52 52 ILE N N 52 127.899 127.995 -0.096 1
1 541 . 17 1 1 A 53 53 PRO HA H 53 4.501 5.080 -0.579 1
1 548 . 17 1 1 A 53 53 PRO C C 53 177.663 178.004 -0.341 1
1 549 . 17 1 1 A 53 53 PRO CA C 53 62.838 63.028 -0.190 1
1 550 . 17 1 1 A 53 53 PRO CB C 53 31.939 31.770 0.169 1
1 553 . 17 1 1 A 54 54 LEU H H 54 8.647 8.696 -0.049 1
1 554 . 17 1 1 A 54 54 LEU HA H 54 3.985 4.100 -0.115 1
1 564 . 17 1 1 A 54 54 LEU C C 54 178.940 178.436 0.504 1
1 565 . 17 1 1 A 54 54 LEU CA C 54 58.371 57.962 0.409 1
1 566 . 17 1 1 A 54 54 LEU CB C 54 42.388 41.861 0.527 1
1 570 . 17 1 1 A 54 54 LEU N N 54 124.847 127.073 -2.226 1
1 571 . 17 1 1 A 55 55 SER H H 55 8.278 8.033 0.245 1
1 572 . 17 1 1 A 55 55 SER HA H 55 4.169 4.069 0.100 1
1 575 . 17 1 1 A 55 55 SER C C 55 174.956 176.588 -1.632 1
1 576 . 17 1 1 A 55 55 SER CA C 55 59.971 62.082 -2.111 1
1 577 . 17 1 1 A 55 55 SER CB C 55 62.721 62.754 -0.033 1
1 578 . 17 1 1 A 55 55 SER N N 55 109.639 115.988 -6.349 1
1 579 . 17 1 1 A 56 56 ALA H H 56 7.796 8.291 -0.495 1
1 580 . 17 1 1 A 56 56 ALA HA H 56 4.545 4.193 0.352 1
1 584 . 17 1 1 A 56 56 ALA C C 56 177.505 178.760 -1.255 1
1 585 . 17 1 1 A 56 56 ALA CA C 56 52.022 55.442 -3.420 1
1 586 . 17 1 1 A 56 56 ALA CB C 56 20.240 18.368 1.872 1
1 587 . 17 1 1 A 56 56 ALA N N 56 123.057 122.817 0.240 1
1 588 . 17 1 1 A 57 57 ILE H H 57 7.664 7.242 0.422 1
1 589 . 17 1 1 A 57 57 ILE HA H 57 4.035 4.347 -0.312 1
1 599 . 17 1 1 A 57 57 ILE C C 57 175.285 176.090 -0.805 1
1 600 . 17 1 1 A 57 57 ILE CA C 57 62.697 62.726 -0.029 1
1 601 . 17 1 1 A 57 57 ILE CB C 57 38.474 37.371 1.103 1
1 605 . 17 1 1 A 57 57 ILE N N 57 119.512 118.288 1.224 1
1 606 . 17 1 1 A 58 58 SER H H 58 9.364 9.116 0.248 1
1 607 . 17 1 1 A 58 58 SER HA H 58 4.526 4.555 -0.029 1
1 610 . 17 1 1 A 58 58 SER C C 58 175.125 174.429 0.696 1
1 611 . 17 1 1 A 58 58 SER CA C 58 59.215 60.344 -1.129 1
1 612 . 17 1 1 A 58 58 SER CB C 58 63.590 64.435 -0.845 1
1 613 . 17 1 1 A 58 58 SER N N 58 122.513 123.238 -0.725 1
1 614 . 17 1 1 A 59 59 THR H H 59 7.502 7.522 -0.020 1
1 615 . 17 1 1 A 59 59 THR HA H 59 4.355 4.561 -0.206 1
1 620 . 17 1 1 A 59 59 THR C C 59 170.784 172.058 -1.274 1
1 621 . 17 1 1 A 59 59 THR CA C 59 61.132 61.109 0.023 1
1 622 . 17 1 1 A 59 59 THR CB C 59 68.686 70.808 -2.122 1
1 624 . 17 1 1 A 59 59 THR N N 59 112.470 111.425 1.045 1
1 625 . 17 1 1 A 60 60 VAL H H 60 7.766 8.460 -0.694 1
1 626 . 17 1 1 A 60 60 VAL HA H 60 5.326 5.192 0.134 1
1 634 . 17 1 1 A 60 60 VAL C C 60 174.166 174.006 0.160 1
1 635 . 17 1 1 A 60 60 VAL CA C 60 60.410 60.319 0.091 1
1 636 . 17 1 1 A 60 60 VAL CB C 60 34.979 35.691 -0.712 1
1 639 . 17 1 1 A 60 60 VAL N N 60 121.276 124.112 -2.836 1
1 640 . 17 1 1 A 61 61 ARG H H 61 8.941 9.012 -0.071 1
1 641 . 17 1 1 A 61 61 ARG HA H 61 5.053 5.015 0.038 1
1 648 . 17 1 1 A 61 61 ARG C C 61 175.460 174.772 0.688 1
1 649 . 17 1 1 A 61 61 ARG CA C 61 54.166 54.397 -0.231 1
1 650 . 17 1 1 A 61 61 ARG CB C 61 34.000 34.061 -0.061 1
1 653 . 17 1 1 A 61 61 ARG N N 61 121.101 123.267 -2.166 1
1 654 . 17 1 1 A 62 62 VAL H H 62 8.627 8.475 0.152 1
1 655 . 17 1 1 A 62 62 VAL HA H 62 4.195 4.594 -0.399 1
1 663 . 17 1 1 A 62 62 VAL C C 62 175.216 175.049 0.167 1
1 664 . 17 1 1 A 62 62 VAL CA C 62 62.926 62.042 0.884 1
1 665 . 17 1 1 A 62 62 VAL CB C 62 33.459 32.326 1.133 1
1 668 . 17 1 1 A 62 62 VAL N N 62 118.451 118.550 -0.099 1
1 669 . 17 1 1 A 63 63 GLN H H 63 7.628 9.017 -1.389 1
1 670 . 17 1 1 A 63 63 GLN HA H 63 4.575 4.622 -0.047 1
1 677 . 17 1 1 A 63 63 GLN C C 63 174.418 175.956 -1.538 1
1 678 . 17 1 1 A 63 63 GLN CA C 63 55.451 54.810 0.641 1
1 679 . 17 1 1 A 63 63 GLN CB C 63 32.062 30.360 1.702 1
1 681 . 17 1 1 A 63 63 GLN N N 63 123.160 125.553 -2.393 1
1 683 . 17 1 1 A 64 64 GLY H H 64 8.678 8.932 -0.254 1
1 684 . 17 1 1 A 64 64 GLY HA2 H 64 4.025 3.883 0.142 1
1 685 . 17 1 1 A 64 64 GLY HA3 H 64 3.895 3.887 0.008 1
1 686 . 17 1 1 A 64 64 GLY C C 64 174.592 173.880 0.712 1
1 687 . 17 1 1 A 64 64 GLY CA C 64 45.531 47.300 -1.769 1
1 688 . 17 1 1 A 64 64 GLY N N 64 112.406 115.709 -3.303 1
1 689 . 17 1 1 A 65 65 ASP HA H 65 4.625 4.604 0.021 1
1 692 . 17 1 1 A 65 65 ASP C C 65 176.902 176.268 0.634 1
1 693 . 17 1 1 A 65 65 ASP CA C 65 55.486 53.259 2.227 1
1 694 . 17 1 1 A 65 65 ASP CB C 65 40.817 42.008 -1.191 1
1 695 . 17 1 1 A 66 66 ASN H H 66 7.979 8.638 -0.659 1
1 696 . 17 1 1 A 66 66 ASN HA H 66 4.554 4.870 -0.316 1
1 701 . 17 1 1 A 66 66 ASN C C 66 174.456 173.596 0.860 1
1 702 . 17 1 1 A 66 66 ASN CA C 66 52.795 52.936 -0.141 1
1 703 . 17 1 1 A 66 66 ASN CB C 66 37.981 36.740 1.241 1
1 704 . 17 1 1 A 66 66 ASN N N 66 112.071 115.998 -3.927 1
1 706 . 17 1 1 A 67 67 LYS H H 67 7.476 8.112 -0.636 1
1 707 . 17 1 1 A 67 67 LYS HA H 67 5.914 4.911 1.003 1
1 716 . 17 1 1 A 67 67 LYS C C 67 177.922 175.517 2.405 1
1 717 . 17 1 1 A 67 67 LYS CA C 67 54.906 54.410 0.496 1
1 718 . 17 1 1 A 67 67 LYS CB C 67 36.707 36.238 0.469 1
1 722 . 17 1 1 A 67 67 LYS N N 67 115.613 117.388 -1.775 1
1 723 . 17 1 1 A 68 68 PHE H H 68 9.227 8.101 1.126 1
1 724 . 17 1 1 A 68 68 PHE HA H 68 5.296 5.681 -0.385 1
1 732 . 17 1 1 A 68 68 PHE C C 68 171.230 172.360 -1.130 1
1 733 . 17 1 1 A 68 68 PHE CA C 68 56.576 55.858 0.718 1
1 734 . 17 1 1 A 68 68 PHE CB C 68 42.790 42.260 0.530 1
1 740 . 17 1 1 A 68 68 PHE N N 68 117.009 117.027 -0.018 1
1 741 . 17 1 1 A 69 69 GLU H H 69 9.527 9.064 0.463 1
1 742 . 17 1 1 A 69 69 GLU HA H 69 5.434 4.860 0.574 1
1 747 . 17 1 1 A 69 69 GLU C C 69 175.659 175.672 -0.013 1
1 748 . 17 1 1 A 69 69 GLU CA C 69 53.429 55.510 -2.081 1
1 749 . 17 1 1 A 69 69 GLU CB C 69 33.460 30.955 2.505 1
1 751 . 17 1 1 A 69 69 GLU N N 69 119.470 121.429 -1.959 1
1 752 . 17 1 1 A 70 70 VAL H H 70 9.486 8.744 0.742 1
1 753 . 17 1 1 A 70 70 VAL HA H 70 4.486 4.591 -0.105 1
1 761 . 17 1 1 A 70 70 VAL C C 70 174.403 176.006 -1.603 1
1 762 . 17 1 1 A 70 70 VAL CA C 70 62.240 62.580 -0.340 1
1 763 . 17 1 1 A 70 70 VAL CB C 70 33.706 31.681 2.025 1
1 766 . 17 1 1 A 70 70 VAL N N 70 123.935 128.013 -4.078 1
1 767 . 17 1 1 A 71 71 VAL H H 71 8.658 8.646 0.012 1
1 768 . 17 1 1 A 71 71 VAL HA H 71 4.345 4.278 0.067 1
1 776 . 17 1 1 A 71 71 VAL C C 71 175.524 175.667 -0.143 1
1 777 . 17 1 1 A 71 71 VAL CA C 71 63.365 63.255 0.110 1
1 778 . 17 1 1 A 71 71 VAL CB C 71 32.802 32.109 0.693 1
1 781 . 17 1 1 A 71 71 VAL N N 71 129.195 128.565 0.630 1
1 782 . 17 1 1 A 72 72 THR H H 72 8.134 8.326 -0.192 1
1 783 . 17 1 1 A 72 72 THR HA H 72 5.515 5.228 0.287 1
1 788 . 17 1 1 A 72 72 THR C C 72 174.609 174.728 -0.119 1
1 789 . 17 1 1 A 72 72 THR CA C 72 59.496 59.124 0.372 1
1 790 . 17 1 1 A 72 72 THR CB C 72 72.139 72.358 -0.219 1
1 792 . 17 1 1 A 72 72 THR N N 72 117.639 117.762 -0.123 1
1 793 . 17 1 1 A 73 73 THR H H 73 8.944 9.159 -0.215 1
1 794 . 17 1 1 A 73 73 THR HA H 73 3.966 3.923 0.043 1
1 799 . 17 1 1 A 73 73 THR C C 73 175.783 176.149 -0.366 1
1 800 . 17 1 1 A 73 73 THR CA C 73 65.880 66.847 -0.967 1
1 801 . 17 1 1 A 73 73 THR CB C 73 68.604 68.827 -0.223 1
1 803 . 17 1 1 A 73 73 THR N N 73 114.027 118.267 -4.240 1
1 804 . 17 1 1 A 74 74 GLN H H 74 7.997 7.989 0.008 1
1 805 . 17 1 1 A 74 74 GLN HA H 74 4.350 4.207 0.143 1
1 812 . 17 1 1 A 74 74 GLN C C 74 175.698 176.075 -0.377 1
1 813 . 17 1 1 A 74 74 GLN CA C 74 56.910 58.259 -1.349 1
1 814 . 17 1 1 A 74 74 GLN CB C 74 30.624 29.329 1.295 1
1 816 . 17 1 1 A 74 74 GLN N N 74 115.670 118.195 -2.525 1
1 818 . 17 1 1 A 75 75 ARG H H 75 7.366 7.172 0.194 1
1 819 . 17 1 1 A 75 75 ARG HA H 75 4.395 4.507 -0.112 1
1 826 . 17 1 1 A 75 75 ARG C C 75 174.546 174.582 -0.036 1
1 827 . 17 1 1 A 75 75 ARG CA C 75 55.802 54.867 0.935 1
1 828 . 17 1 1 A 75 75 ARG CB C 75 32.514 33.024 -0.510 1
1 831 . 17 1 1 A 75 75 ARG N N 75 115.650 112.785 2.865 1
1 832 . 17 1 1 A 76 76 THR H H 76 8.679 8.555 0.124 1
1 833 . 17 1 1 A 76 76 THR HA H 76 5.065 4.142 0.923 1
1 838 . 17 1 1 A 76 76 THR C C 76 173.239 174.346 -1.107 1
1 839 . 17 1 1 A 76 76 THR CA C 76 61.888 63.817 -1.929 1
1 840 . 17 1 1 A 76 76 THR CB C 76 69.878 69.527 0.351 1
1 842 . 17 1 1 A 76 76 THR N N 76 120.285 118.549 1.736 1
1 843 . 17 1 1 A 77 77 PHE H H 77 9.156 9.310 -0.154 1
1 844 . 17 1 1 A 77 77 PHE HA H 77 4.385 5.103 -0.718 1
1 852 . 17 1 1 A 77 77 PHE C C 77 174.028 174.533 -0.505 1
1 853 . 17 1 1 A 77 77 PHE CA C 77 56.822 55.885 0.937 1
1 854 . 17 1 1 A 77 77 PHE CB C 77 41.640 43.438 -1.798 1
1 860 . 17 1 1 A 77 77 PHE N N 77 127.212 124.952 2.260 1
1 861 . 17 1 1 A 78 78 VAL H H 78 8.374 8.401 -0.027 1
1 862 . 17 1 1 A 78 78 VAL HA H 78 4.506 4.772 -0.266 1
1 870 . 17 1 1 A 78 78 VAL C C 78 173.264 174.630 -1.366 1
1 871 . 17 1 1 A 78 78 VAL CA C 78 61.730 60.923 0.807 1
1 872 . 17 1 1 A 78 78 VAL CB C 78 33.254 35.607 -2.353 1
1 875 . 17 1 1 A 78 78 VAL N N 78 123.393 119.491 3.902 1
1 876 . 17 1 1 A 79 79 PHE H H 79 8.458 8.329 0.129 1
1 877 . 17 1 1 A 79 79 PHE HA H 79 5.403 4.902 0.501 1
1 885 . 17 1 1 A 79 79 PHE C C 79 173.855 173.690 0.165 1
1 886 . 17 1 1 A 79 79 PHE CA C 79 55.151 55.706 -0.555 1
1 887 . 17 1 1 A 79 79 PHE CB C 79 42.913 43.947 -1.034 1
1 893 . 17 1 1 A 79 79 PHE N N 79 123.801 125.079 -1.278 1
1 894 . 17 1 1 A 80 80 ARG H H 80 9.407 8.504 0.903 1
1 895 . 17 1 1 A 80 80 ARG HA H 80 5.134 4.927 0.207 1
1 902 . 17 1 1 A 80 80 ARG C C 80 174.634 175.202 -0.568 1
1 903 . 17 1 1 A 80 80 ARG CA C 80 54.431 53.954 0.477 1
1 904 . 17 1 1 A 80 80 ARG CB C 80 35.227 33.920 1.307 1
1 907 . 17 1 1 A 80 80 ARG N N 80 121.570 121.551 0.019 1
1 908 . 17 1 1 A 81 81 VAL H H 81 8.544 8.731 -0.187 1
1 909 . 17 1 1 A 81 81 VAL HA H 81 4.708 4.812 -0.104 1
1 917 . 17 1 1 A 81 81 VAL C C 81 175.050 175.792 -0.742 1
1 918 . 17 1 1 A 81 81 VAL CA C 81 59.602 59.577 0.025 1
1 919 . 17 1 1 A 81 81 VAL CB C 81 33.706 34.810 -1.104 1
1 922 . 17 1 1 A 81 81 VAL N N 81 122.128 120.722 1.406 1
1 923 . 17 1 1 A 82 82 GLU H H 82 8.549 9.207 -0.658 1
1 924 . 17 1 1 A 82 82 GLU HA H 82 4.132 4.477 -0.345 1
1 929 . 17 1 1 A 82 82 GLU C C 82 176.909 175.483 1.426 1
1 930 . 17 1 1 A 82 82 GLU CA C 82 58.973 57.032 1.941 1
1 931 . 17 1 1 A 82 82 GLU CB C 82 30.582 31.713 -1.131 1
1 933 . 17 1 1 A 82 82 GLU N N 82 121.776 121.826 -0.050 1
1 934 . 17 1 1 A 83 83 LYS H H 83 7.618 7.587 0.031 1
1 935 . 17 1 1 A 83 83 LYS HA H 83 4.708 4.778 -0.070 1
1 944 . 17 1 1 A 83 83 LYS C C 83 176.665 176.579 0.086 1
1 945 . 17 1 1 A 83 83 LYS CA C 83 54.694 54.747 -0.053 1
1 946 . 17 1 1 A 83 83 LYS CB C 83 34.775 36.215 -1.440 1
1 950 . 17 1 1 A 83 83 LYS N N 83 115.778 117.994 -2.216 1
1 951 . 17 1 1 A 84 84 GLU H H 84 9.150 8.913 0.237 1
1 952 . 17 1 1 A 84 84 GLU HA H 84 3.953 3.941 0.012 1
1 957 . 17 1 1 A 84 84 GLU C C 84 178.243 178.191 0.052 1
1 958 . 17 1 1 A 84 84 GLU CA C 84 60.217 60.269 -0.052 1
1 959 . 17 1 1 A 84 84 GLU CB C 84 29.843 29.543 0.300 1
1 961 . 17 1 1 A 84 84 GLU N N 84 127.798 123.873 3.925 1
1 962 . 17 1 1 A 85 85 GLU H H 85 9.626 8.176 1.450 1
1 963 . 17 1 1 A 85 85 GLU HA H 85 4.100 4.085 0.015 1
1 968 . 17 1 1 A 85 85 GLU C C 85 178.948 179.445 -0.497 1
1 969 . 17 1 1 A 85 85 GLU CA C 85 59.847 59.124 0.723 1
1 970 . 17 1 1 A 85 85 GLU CB C 85 28.897 29.162 -0.265 1
1 972 . 17 1 1 A 85 85 GLU N N 85 117.844 118.657 -0.813 1
1 973 . 17 1 1 A 86 86 GLU H H 86 7.257 8.489 -1.232 1
1 974 . 17 1 1 A 86 86 GLU HA H 86 4.365 4.012 0.353 1
1 979 . 17 1 1 A 86 86 GLU C C 86 178.607 179.394 -0.787 1
1 980 . 17 1 1 A 86 86 GLU CA C 86 58.089 59.670 -1.581 1
1 981 . 17 1 1 A 86 86 GLU CB C 86 30.212 29.442 0.770 1
1 983 . 17 1 1 A 86 86 GLU N N 86 118.075 120.187 -2.112 1
1 984 . 17 1 1 A 87 87 ARG H H 87 7.919 7.786 0.133 1
1 985 . 17 1 1 A 87 87 ARG HA H 87 3.838 4.197 -0.359 1
1 992 . 17 1 1 A 87 87 ARG C C 87 177.977 178.668 -0.691 1
1 993 . 17 1 1 A 87 87 ARG CA C 87 60.815 59.425 1.390 1
1 994 . 17 1 1 A 87 87 ARG CB C 87 28.856 29.895 -1.039 1
1 997 . 17 1 1 A 87 87 ARG N N 87 121.287 120.870 0.417 1
1 998 . 17 1 1 A 88 88 ASN H H 88 8.421 7.913 0.508 1
1 999 . 17 1 1 A 88 88 ASN HA H 88 4.295 4.575 -0.280 1
1 1004 . 17 1 1 A 88 88 ASN C C 88 177.423 177.655 -0.232 1
1 1005 . 17 1 1 A 88 88 ASN CA C 88 55.627 55.949 -0.322 1
1 1006 . 17 1 1 A 88 88 ASN CB C 88 37.136 38.537 -1.401 1
1 1007 . 17 1 1 A 88 88 ASN N N 88 116.926 118.056 -1.130 1
1 1009 . 17 1 1 A 89 89 ASP H H 89 7.790 8.519 -0.729 1
1 1010 . 17 1 1 A 89 89 ASP HA H 89 4.389 4.233 0.156 1
1 1013 . 17 1 1 A 89 89 ASP C C 89 177.683 178.518 -0.835 1
1 1014 . 17 1 1 A 89 89 ASP CA C 89 57.737 57.252 0.485 1
1 1015 . 17 1 1 A 89 89 ASP CB C 89 41.352 40.355 0.997 1
1 1016 . 17 1 1 A 89 89 ASP N N 89 121.867 119.338 2.529 1
1 1017 . 17 1 1 A 90 90 TRP H H 90 7.690 8.410 -0.720 1
1 1018 . 17 1 1 A 90 90 TRP HA H 90 3.666 4.234 -0.568 1
1 1027 . 17 1 1 A 90 90 TRP C C 90 177.880 178.671 -0.791 1
1 1028 . 17 1 1 A 90 90 TRP CA C 90 61.704 59.680 2.024 1
1 1029 . 17 1 1 A 90 90 TRP CB C 90 29.594 29.372 0.222 1
1 1035 . 17 1 1 A 90 90 TRP N N 90 117.617 119.371 -1.754 1
1 1037 . 17 1 1 A 91 91 ILE H H 91 7.654 7.664 -0.010 1
1 1038 . 17 1 1 A 91 91 ILE HA H 91 3.275 3.454 -0.179 1
1 1048 . 17 1 1 A 91 91 ILE C C 91 177.138 178.127 -0.989 1
1 1049 . 17 1 1 A 91 91 ILE CA C 91 65.001 65.572 -0.571 1
1 1050 . 17 1 1 A 91 91 ILE CB C 91 36.913 37.402 -0.489 1
1 1054 . 17 1 1 A 91 91 ILE N N 91 114.248 120.254 -6.006 1
1 1055 . 17 1 1 A 92 92 SER H H 92 8.055 8.369 -0.314 1
1 1056 . 17 1 1 A 92 92 SER HA H 92 4.045 4.058 -0.013 1
1 1059 . 17 1 1 A 92 92 SER C C 92 177.204 177.393 -0.189 1
1 1060 . 17 1 1 A 92 92 SER CA C 92 61.923 61.602 0.321 1
1 1061 . 17 1 1 A 92 92 SER CB C 92 62.767 62.924 -0.157 1
1 1062 . 17 1 1 A 92 92 SER N N 92 114.018 115.060 -1.042 1
1 1063 . 17 1 1 A 93 93 ILE H H 93 7.926 7.992 -0.066 1
1 1064 . 17 1 1 A 93 93 ILE HA H 93 3.795 3.689 0.106 1
1 1074 . 17 1 1 A 93 93 ILE C C 93 178.947 178.432 0.515 1
1 1075 . 17 1 1 A 93 93 ILE CA C 93 64.825 64.553 0.272 1
1 1076 . 17 1 1 A 93 93 ILE CB C 93 37.693 37.802 -0.109 1
1 1080 . 17 1 1 A 93 93 ILE N N 93 120.974 121.813 -0.839 1
1 1081 . 17 1 1 A 94 94 LEU H H 94 7.678 8.122 -0.444 1
1 1082 . 17 1 1 A 94 94 LEU HA H 94 3.634 3.833 -0.199 1
1 1092 . 17 1 1 A 94 94 LEU C C 94 178.551 178.831 -0.280 1
1 1093 . 17 1 1 A 94 94 LEU CA C 94 57.861 57.861 0.000 1
1 1094 . 17 1 1 A 94 94 LEU CB C 94 42.356 41.812 0.544 1
1 1098 . 17 1 1 A 94 94 LEU N N 94 121.223 119.560 1.663 1
1 1099 . 17 1 1 A 95 95 LEU H H 95 8.954 8.619 0.335 1
1 1100 . 17 1 1 A 95 95 LEU HA H 95 4.037 3.911 0.126 1
1 1110 . 17 1 1 A 95 95 LEU C C 95 180.858 179.665 1.193 1
1 1111 . 17 1 1 A 95 95 LEU CA C 95 58.194 57.889 0.305 1
1 1112 . 17 1 1 A 95 95 LEU CB C 95 41.286 41.340 -0.054 1
1 1116 . 17 1 1 A 95 95 LEU N N 95 118.177 117.889 0.288 1
1 1117 . 17 1 1 A 96 96 ASN H H 96 8.235 8.006 0.229 1
1 1118 . 17 1 1 A 96 96 ASN HA H 96 4.445 4.517 -0.072 1
1 1123 . 17 1 1 A 96 96 ASN C C 96 177.901 177.841 0.060 1
1 1124 . 17 1 1 A 96 96 ASN CA C 96 56.347 56.209 0.138 1
1 1125 . 17 1 1 A 96 96 ASN CB C 96 38.105 38.028 0.077 1
1 1126 . 17 1 1 A 96 96 ASN N N 96 117.502 118.162 -0.660 1
1 1128 . 17 1 1 A 97 97 ALA H H 97 7.756 8.199 -0.443 1
1 1129 . 17 1 1 A 97 97 ALA HA H 97 4.305 4.195 0.110 1
1 1133 . 17 1 1 A 97 97 ALA C C 97 180.315 180.148 0.167 1
1 1134 . 17 1 1 A 97 97 ALA CA C 97 54.906 55.104 -0.198 1
1 1135 . 17 1 1 A 97 97 ALA CB C 97 19.214 18.329 0.885 1
1 1136 . 17 1 1 A 97 97 ALA N N 97 123.457 123.411 0.046 1
1 1137 . 17 1 1 A 98 98 LEU H H 98 8.335 8.181 0.154 1
1 1138 . 17 1 1 A 98 98 LEU HA H 98 4.055 3.950 0.105 1
1 1148 . 17 1 1 A 98 98 LEU C C 98 179.542 179.502 0.040 1
1 1149 . 17 1 1 A 98 98 LEU CA C 98 57.578 58.116 -0.538 1
1 1150 . 17 1 1 A 98 98 LEU CB C 98 42.174 41.668 0.506 1
1 1154 . 17 1 1 A 98 98 LEU N N 98 119.610 118.853 0.757 1
1 1155 . 17 1 1 A 99 99 LYS H H 99 7.969 7.796 0.173 1
1 1156 . 17 1 1 A 99 99 LYS HA H 99 4.203 3.933 0.270 1
1 1165 . 17 1 1 A 99 99 LYS C C 99 178.392 178.923 -0.531 1
1 1166 . 17 1 1 A 99 99 LYS CA C 99 58.563 59.853 -1.290 1
1 1167 . 17 1 1 A 99 99 LYS CB C 99 32.267 32.033 0.234 1
1 1171 . 17 1 1 A 99 99 LYS N N 99 119.323 117.949 1.374 1
1 1172 . 17 1 1 A 100 100 SER H H 100 7.854 7.687 0.167 1
1 1173 . 17 1 1 A 100 100 SER HA H 100 4.404 4.087 0.317 1
1 1176 . 17 1 1 A 100 100 SER C C 100 175.449 177.201 -1.752 1
1 1177 . 17 1 1 A 100 100 SER CA C 100 60.076 61.648 -1.572 1
1 1178 . 17 1 1 A 100 100 SER CB C 100 63.600 62.971 0.629 1
1 1179 . 17 1 1 A 100 100 SER N N 100 114.116 114.428 -0.312 1
1 1180 . 17 1 1 A 101 101 GLN H H 101 7.863 7.564 0.299 1
1 1181 . 17 1 1 A 101 101 GLN HA H 101 4.294 4.076 0.218 1
1 1188 . 17 1 1 A 101 101 GLN C C 101 176.613 176.101 0.512 1
1 1189 . 17 1 1 A 101 101 GLN CA C 101 57.121 58.873 -1.752 1
1 1190 . 17 1 1 A 101 101 GLN CB C 101 29.761 28.420 1.341 1
1 1192 . 17 1 1 A 101 101 GLN N N 101 120.923 120.587 0.336 1
1 1194 . 17 1 1 A 102 102 SER H H 102 8.170 7.923 0.247 1
1 1195 . 17 1 1 A 102 102 SER HA H 102 4.445 4.928 -0.483 1
1 1198 . 17 1 1 A 102 102 SER C C 102 175.030 173.078 1.952 1
1 1199 . 17 1 1 A 102 102 SER CA C 102 59.162 56.528 2.634 1
1 1200 . 17 1 1 A 102 102 SER CB C 102 63.466 65.254 -1.788 1
1 1201 . 17 1 1 A 102 102 SER N N 102 115.689 112.111 3.578 1
1 1202 . 17 1 1 A 103 103 LEU H H 103 8.111 8.876 -0.765 1
1 1203 . 17 1 1 A 103 103 LEU HA H 103 4.400 5.041 -0.641 1
1 1213 . 17 1 1 A 103 103 LEU C C 103 178.263 174.806 3.457 1
1 1214 . 17 1 1 A 103 103 LEU CA C 103 55.908 53.464 2.444 1
1 1215 . 17 1 1 A 103 103 LEU CB C 103 42.215 46.447 -4.232 1
1 1219 . 17 1 1 A 103 103 LEU N N 103 123.252 128.227 -4.975 1
1 1220 . 17 1 1 A 104 104 THR H H 104 8.064 8.586 -0.522 1
1 1221 . 17 1 1 A 104 104 THR HA H 104 4.354 4.724 -0.370 1
1 1226 . 17 1 1 A 104 104 THR C C 104 175.092 174.092 1.000 1
1 1227 . 17 1 1 A 104 104 THR CA C 104 62.368 60.882 1.486 1
1 1228 . 17 1 1 A 104 104 THR CB C 104 69.673 70.488 -0.815 1
1 1230 . 17 1 1 A 104 104 THR N N 104 113.441 116.803 -3.362 1
1 1231 . 17 1 1 A 105 105 SER H H 105 8.231 8.614 -0.383 1
1 1232 . 17 1 1 A 105 105 SER C C 105 177.959 174.493 3.466 1
1 1233 . 17 1 1 A 105 105 SER CA C 105 58.406 59.052 -0.646 1
1 1234 . 17 1 1 A 105 105 SER CB C 105 63.507 63.442 0.065 1
1 1235 . 17 1 1 A 105 105 SER N N 105 117.638 121.750 -4.112 1
1 1236 . 17 1 1 A 106 106 GLN HA H 106 4.365 4.879 -0.514 1
1 1239 . 17 1 1 A 106 106 GLN C C 106 176.322 175.129 1.193 1
1 1240 . 17 1 1 A 106 106 GLN CA C 106 56.189 53.773 2.416 1
1 1241 . 17 1 1 A 106 106 GLN CB C 106 29.226 32.803 -3.577 1
1 1243 . 17 1 1 A 107 107 SER H H 107 8.287 8.420 -0.133 1
1 1244 . 17 1 1 A 107 107 SER HA H 107 4.404 4.625 -0.221 1
1 1246 . 17 1 1 A 107 107 SER C C 107 174.687 174.048 0.639 1
1 1247 . 17 1 1 A 107 107 SER CA C 107 58.722 58.302 0.420 1
1 1248 . 17 1 1 A 107 107 SER CB C 107 63.713 64.062 -0.349 1
1 1249 . 17 1 1 A 107 107 SER N N 107 116.578 116.469 0.109 1
1 1250 . 17 1 1 A 108 108 GLN H H 108 8.354 8.701 -0.347 1
1 1251 . 17 1 1 A 108 108 GLN HA H 108 4.349 4.813 -0.464 1
1 1258 . 17 1 1 A 108 108 GLN C C 108 175.798 174.110 1.688 1
1 1259 . 17 1 1 A 108 108 GLN CA C 108 55.820 55.457 0.363 1
1 1260 . 17 1 1 A 108 108 GLN CB C 108 29.432 33.142 -3.710 1
1 1262 . 17 1 1 A 108 108 GLN N N 108 122.015 122.830 -0.815 1
1 1264 . 17 1 1 A 109 109 ALA H H 109 8.301 8.456 -0.155 1
1 1265 . 17 1 1 A 109 109 ALA HA H 109 4.345 5.145 -0.800 1
1 1269 . 17 1 1 A 109 109 ALA C C 109 177.749 175.796 1.953 1
1 1270 . 17 1 1 A 109 109 ALA CA C 109 52.672 50.899 1.773 1
1 1271 . 17 1 1 A 109 109 ALA CB C 109 19.237 22.742 -3.505 1
1 1272 . 17 1 1 A 109 109 ALA N N 109 125.243 126.480 -1.237 1
1 1273 . 17 1 1 A 110 110 SER H H 110 8.290 8.952 -0.662 1
1 1274 . 17 1 1 A 110 110 SER HA H 110 4.459 5.355 -0.896 1
1 1277 . 17 1 1 A 110 110 SER C C 110 174.593 174.292 0.301 1
1 1278 . 17 1 1 A 110 110 SER CA C 110 58.248 56.598 1.650 1
1 1279 . 17 1 1 A 110 110 SER CB C 110 63.918 64.772 -0.854 1
1 1280 . 17 1 1 A 110 110 SER N N 110 115.148 115.940 -0.792 1
1 1281 . 17 1 1 A 111 111 GLY H H 111 8.199 8.832 -0.633 1
1 1282 . 17 1 1 A 111 111 GLY HA2 H 111 4.167 4.276 -0.109 1
1 1283 . 17 1 1 A 111 111 GLY HA3 H 111 4.094 4.277 -0.183 1
1 1284 . 17 1 1 A 111 111 GLY C C 111 171.782 172.791 -1.009 1
1 1285 . 17 1 1 A 111 111 GLY CA C 111 44.652 43.646 1.006 1
1 1286 . 17 1 1 A 111 111 GLY N N 111 110.586 110.679 -0.093 1
1 1287 . 17 1 1 A 112 112 PRO HA H 112 4.471 4.586 -0.115 1
1 1294 . 17 1 1 A 112 112 PRO CA C 112 63.154 62.451 0.703 1
1 1295 . 17 1 1 A 112 112 PRO CB C 112 32.314 33.121 -0.807 1
1 1 . 18 1 1 A 7 7 GLY H H 7 9.055 8.503 0.552 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.908 4.125 -0.217 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 3.968 4.135 -0.167 1
1 4 . 18 1 1 A 7 7 GLY C C 7 173.671 174.380 -0.709 1
1 5 . 18 1 1 A 7 7 GLY CA C 7 45.421 44.737 0.684 1
1 6 . 18 1 1 A 8 8 LYS H H 8 8.145 8.368 -0.223 1
1 7 . 18 1 1 A 8 8 LYS HA H 8 4.345 4.471 -0.126 1
1 16 . 18 1 1 A 8 8 LYS C C 8 175.255 176.064 -0.809 1
1 17 . 18 1 1 A 8 8 LYS CA C 8 56.330 56.340 -0.010 1
1 18 . 18 1 1 A 8 8 LYS CB C 8 33.583 32.745 0.838 1
1 22 . 18 1 1 A 8 8 LYS N N 8 120.101 122.275 -2.174 1
1 23 . 18 1 1 A 9 9 VAL H H 9 7.579 7.470 0.109 1
1 24 . 18 1 1 A 9 9 VAL HA H 9 4.473 5.070 -0.597 1
1 32 . 18 1 1 A 9 9 VAL C C 9 174.860 174.451 0.409 1
1 33 . 18 1 1 A 9 9 VAL CA C 9 59.989 58.427 1.562 1
1 34 . 18 1 1 A 9 9 VAL CB C 9 34.218 36.419 -2.201 1
1 37 . 18 1 1 A 9 9 VAL N N 9 114.437 117.889 -3.452 1
1 38 . 18 1 1 A 10 10 LYS H H 10 8.236 8.774 -0.538 1
1 39 . 18 1 1 A 10 10 LYS HA H 10 4.345 4.636 -0.291 1
1 48 . 18 1 1 A 10 10 LYS C C 10 172.963 174.240 -1.277 1
1 49 . 18 1 1 A 10 10 LYS CA C 10 56.096 55.788 0.308 1
1 50 . 18 1 1 A 10 10 LYS CB C 10 36.131 36.219 -0.088 1
1 54 . 18 1 1 A 10 10 LYS N N 10 122.938 121.932 1.006 1
1 55 . 18 1 1 A 11 11 SER H H 11 8.168 8.608 -0.440 1
1 56 . 18 1 1 A 11 11 SER HA H 11 5.669 5.600 0.069 1
1 59 . 18 1 1 A 11 11 SER C C 11 173.281 172.837 0.444 1
1 60 . 18 1 1 A 11 11 SER CA C 11 55.960 56.927 -0.967 1
1 61 . 18 1 1 A 11 11 SER CB C 11 66.326 66.491 -0.165 1
1 62 . 18 1 1 A 11 11 SER N N 11 119.068 117.949 1.119 1
1 63 . 18 1 1 A 12 12 GLY H H 12 8.248 7.447 0.801 1
1 64 . 18 1 1 A 12 12 GLY HA2 H 12 4.168 3.544 0.624 1
1 65 . 18 1 1 A 12 12 GLY HA3 H 12 3.478 3.972 -0.494 1
1 66 . 18 1 1 A 12 12 GLY C C 12 170.778 171.131 -0.353 1
1 67 . 18 1 1 A 12 12 GLY CA C 12 45.654 45.388 0.266 1
1 68 . 18 1 1 A 12 12 GLY N N 12 108.756 106.559 2.197 1
1 69 . 18 1 1 A 13 13 TRP H H 13 8.622 8.514 0.108 1
1 70 . 18 1 1 A 13 13 TRP HA H 13 5.398 4.729 0.669 1
1 79 . 18 1 1 A 13 13 TRP C C 13 177.511 176.153 1.358 1
1 80 . 18 1 1 A 13 13 TRP CA C 13 57.069 58.020 -0.951 1
1 81 . 18 1 1 A 13 13 TRP CB C 13 30.295 29.342 0.953 1
1 87 . 18 1 1 A 13 13 TRP N N 13 119.518 121.134 -1.616 1
1 89 . 18 1 1 A 14 14 LEU H H 14 9.524 8.793 0.731 1
1 90 . 18 1 1 A 14 14 LEU HA H 14 4.791 5.144 -0.353 1
1 100 . 18 1 1 A 14 14 LEU C C 14 175.381 176.028 -0.647 1
1 101 . 18 1 1 A 14 14 LEU CA C 14 54.096 53.274 0.822 1
1 102 . 18 1 1 A 14 14 LEU CB C 14 47.682 45.150 2.532 1
1 106 . 18 1 1 A 14 14 LEU N N 14 124.165 125.466 -1.301 1
1 107 . 18 1 1 A 15 15 ASP H H 15 8.335 8.188 0.147 1
1 108 . 18 1 1 A 15 15 ASP HA H 15 5.424 5.018 0.406 1
1 111 . 18 1 1 A 15 15 ASP C C 15 175.302 175.301 0.001 1
1 112 . 18 1 1 A 15 15 ASP CA C 15 53.252 54.407 -1.155 1
1 113 . 18 1 1 A 15 15 ASP CB C 15 42.420 41.271 1.149 1
1 114 . 18 1 1 A 15 15 ASP N N 15 120.275 123.851 -3.576 1
1 115 . 18 1 1 A 16 16 LYS H H 16 9.444 8.869 0.575 1
1 116 . 18 1 1 A 16 16 LYS HA H 16 4.781 4.706 0.075 1
1 125 . 18 1 1 A 16 16 LYS C C 16 176.244 177.226 -0.982 1
1 126 . 18 1 1 A 16 16 LYS CA C 16 54.782 54.652 0.130 1
1 127 . 18 1 1 A 16 16 LYS CB C 16 36.666 35.791 0.875 1
1 131 . 18 1 1 A 16 16 LYS N N 16 125.854 125.265 0.589 1
1 132 . 18 1 1 A 17 17 LEU H H 17 8.387 8.494 -0.107 1
1 133 . 18 1 1 A 17 17 LEU HA H 17 3.476 4.230 -0.754 1
1 143 . 18 1 1 A 17 17 LEU C C 17 175.840 176.893 -1.053 1
1 144 . 18 1 1 A 17 17 LEU CA C 17 55.715 55.046 0.669 1
1 145 . 18 1 1 A 17 17 LEU CB C 17 41.986 41.386 0.600 1
1 149 . 18 1 1 A 17 17 LEU N N 17 130.736 123.087 7.649 1
1 150 . 18 1 1 A 18 18 SER H H 18 8.378 7.985 0.393 1
1 151 . 18 1 1 A 18 18 SER HA H 18 4.563 4.811 -0.248 1
1 154 . 18 1 1 A 18 18 SER C C 18 172.291 173.591 -1.300 1
1 155 . 18 1 1 A 18 18 SER CA C 18 55.697 55.266 0.431 1
1 156 . 18 1 1 A 18 18 SER CB C 18 62.885 63.167 -0.282 1
1 157 . 18 1 1 A 18 18 SER N N 18 123.037 112.773 10.264 1
1 158 . 18 1 1 A 19 19 PRO HA H 19 4.414 4.647 -0.233 1
1 165 . 18 1 1 A 19 19 PRO CA C 19 63.946 62.245 1.701 1
1 166 . 18 1 1 A 19 19 PRO CB C 19 32.128 33.304 -1.176 1
1 169 . 18 1 1 A 20 20 GLN H H 20 8.085 8.512 -0.427 1
1 170 . 18 1 1 A 20 20 GLN HA H 20 4.353 4.375 -0.022 1
1 175 . 18 1 1 A 20 20 GLN CA C 20 55.533 55.685 -0.152 1
1 176 . 18 1 1 A 20 20 GLN CB C 20 30.130 28.900 1.230 1
1 178 . 18 1 1 A 20 20 GLN N N 20 119.721 120.988 -1.267 1
1 179 . 18 1 1 A 22 22 LYS H H 22 8.151 7.990 0.161 1
1 180 . 18 1 1 A 22 22 LYS HA H 22 4.165 4.335 -0.170 1
1 185 . 18 1 1 A 22 22 LYS C C 22 176.016 176.083 -0.067 1
1 186 . 18 1 1 A 22 22 LYS CA C 22 56.717 55.949 0.768 1
1 187 . 18 1 1 A 22 22 LYS CB C 22 32.303 32.999 -0.696 1
1 191 . 18 1 1 A 23 23 ARG H H 23 8.329 8.781 -0.452 1
1 192 . 18 1 1 A 23 23 ARG HA H 23 3.937 5.013 -1.076 1
1 199 . 18 1 1 A 23 23 ARG C C 23 174.937 174.766 0.171 1
1 200 . 18 1 1 A 23 23 ARG CA C 23 56.436 54.500 1.936 1
1 201 . 18 1 1 A 23 23 ARG CB C 23 29.144 31.777 -2.633 1
1 204 . 18 1 1 A 23 23 ARG N N 23 119.006 115.589 3.417 1
1 205 . 18 1 1 A 24 24 MET H H 24 7.965 8.518 -0.553 1
1 206 . 18 1 1 A 24 24 MET HA H 24 4.492 4.407 0.085 1
1 209 . 18 1 1 A 24 24 MET C C 24 174.737 174.594 0.143 1
1 210 . 18 1 1 A 24 24 MET CA C 24 55.134 54.542 0.592 1
1 211 . 18 1 1 A 24 24 MET CB C 24 33.665 35.628 -1.963 1
1 213 . 18 1 1 A 24 24 MET N N 24 120.460 122.046 -1.586 1
1 214 . 18 1 1 A 25 25 PHE H H 25 8.593 7.535 1.058 1
1 215 . 18 1 1 A 25 25 PHE HA H 25 4.788 4.654 0.134 1
1 223 . 18 1 1 A 25 25 PHE C C 25 175.712 175.215 0.497 1
1 224 . 18 1 1 A 25 25 PHE CA C 25 57.421 59.776 -2.355 1
1 225 . 18 1 1 A 25 25 PHE CB C 25 41.890 39.213 2.677 1
1 231 . 18 1 1 A 25 25 PHE N N 25 121.330 121.716 -0.386 1
1 232 . 18 1 1 A 26 26 GLN H H 26 8.758 8.672 0.086 1
1 233 . 18 1 1 A 26 26 GLN HA H 26 4.777 4.629 0.148 1
1 240 . 18 1 1 A 26 26 GLN C C 26 175.149 176.148 -0.999 1
1 241 . 18 1 1 A 26 26 GLN CA C 26 53.991 56.928 -2.937 1
1 242 . 18 1 1 A 26 26 GLN CB C 26 32.144 31.086 1.058 1
1 244 . 18 1 1 A 26 26 GLN N N 26 119.081 123.163 -4.082 1
1 246 . 18 1 1 A 27 27 LYS H H 27 8.913 7.763 1.150 1
1 247 . 18 1 1 A 27 27 LYS HA H 27 4.933 4.823 0.110 1
1 256 . 18 1 1 A 27 27 LYS C C 27 177.786 174.486 3.300 1
1 257 . 18 1 1 A 27 27 LYS CA C 27 57.843 56.303 1.540 1
1 258 . 18 1 1 A 27 27 LYS CB C 27 32.720 36.093 -3.373 1
1 262 . 18 1 1 A 27 27 LYS N N 27 126.903 116.741 10.162 1
1 263 . 18 1 1 A 28 28 ARG H H 28 9.847 8.881 0.966 1
1 264 . 18 1 1 A 28 28 ARG HA H 28 5.236 5.105 0.131 1
1 271 . 18 1 1 A 28 28 ARG C C 28 173.319 175.028 -1.709 1
1 272 . 18 1 1 A 28 28 ARG CA C 28 53.481 54.746 -1.265 1
1 273 . 18 1 1 A 28 28 ARG CB C 28 34.405 34.211 0.194 1
1 276 . 18 1 1 A 28 28 ARG N N 28 127.032 124.447 2.585 1
1 277 . 18 1 1 A 29 29 TRP H H 29 8.408 8.799 -0.391 1
1 278 . 18 1 1 A 29 29 TRP HA H 29 4.424 4.512 -0.088 1
1 285 . 18 1 1 A 29 29 TRP C C 29 174.606 175.052 -0.446 1
1 286 . 18 1 1 A 29 29 TRP CA C 29 56.383 58.214 -1.831 1
1 287 . 18 1 1 A 29 29 TRP CB C 29 29.226 29.821 -0.595 1
1 292 . 18 1 1 A 29 29 TRP N N 29 124.511 126.693 -2.182 1
1 293 . 18 1 1 A 30 30 VAL H H 30 8.464 7.165 1.299 1
1 294 . 18 1 1 A 30 30 VAL HA H 30 4.736 4.699 0.037 1
1 302 . 18 1 1 A 30 30 VAL C C 30 172.903 173.820 -0.917 1
1 303 . 18 1 1 A 30 30 VAL CA C 30 61.219 60.764 0.455 1
1 304 . 18 1 1 A 30 30 VAL CB C 30 32.925 35.103 -2.178 1
1 307 . 18 1 1 A 30 30 VAL N N 30 129.572 125.971 3.601 1
1 308 . 18 1 1 A 31 31 LYS H H 31 9.125 9.018 0.107 1
1 309 . 18 1 1 A 31 31 LYS HA H 31 5.095 5.516 -0.421 1
1 318 . 18 1 1 A 31 31 LYS C C 31 175.396 174.046 1.350 1
1 319 . 18 1 1 A 31 31 LYS CA C 31 54.677 54.911 -0.234 1
1 320 . 18 1 1 A 31 31 LYS CB C 31 37.036 36.522 0.514 1
1 324 . 18 1 1 A 31 31 LYS N N 31 124.358 128.416 -4.058 1
1 325 . 18 1 1 A 32 32 PHE H H 32 9.725 8.723 1.002 1
1 326 . 18 1 1 A 32 32 PHE HA H 32 5.905 5.282 0.623 1
1 334 . 18 1 1 A 32 32 PHE C C 32 174.555 174.308 0.247 1
1 335 . 18 1 1 A 32 32 PHE CA C 32 56.224 56.336 -0.112 1
1 336 . 18 1 1 A 32 32 PHE CB C 32 41.804 42.678 -0.874 1
1 342 . 18 1 1 A 32 32 PHE N N 32 125.979 127.356 -1.377 1
1 343 . 18 1 1 A 33 33 ASP H H 33 7.884 8.710 -0.826 1
1 344 . 18 1 1 A 33 33 ASP HA H 33 4.555 4.542 0.013 1
1 347 . 18 1 1 A 33 33 ASP C C 33 175.730 175.765 -0.035 1
1 348 . 18 1 1 A 33 33 ASP CA C 33 52.602 54.941 -2.339 1
1 349 . 18 1 1 A 33 33 ASP CB C 33 41.686 43.269 -1.583 1
1 350 . 18 1 1 A 33 33 ASP N N 33 126.924 125.368 1.556 1
1 351 . 18 1 1 A 34 34 GLY H H 34 4.680 7.139 -2.459 1
1 352 . 18 1 1 A 34 34 GLY HA2 H 34 4.252 3.491 0.761 1
1 353 . 18 1 1 A 34 34 GLY HA3 H 34 3.023 3.763 -0.740 1
1 354 . 18 1 1 A 34 34 GLY C C 34 172.363 175.379 -3.016 1
1 355 . 18 1 1 A 34 34 GLY CA C 34 45.672 45.105 0.567 1
1 356 . 18 1 1 A 35 35 LEU H H 35 8.148 8.042 0.106 1
1 357 . 18 1 1 A 35 35 LEU HA H 35 4.623 4.417 0.206 1
1 367 . 18 1 1 A 35 35 LEU C C 35 177.783 177.065 0.718 1
1 368 . 18 1 1 A 35 35 LEU CA C 35 55.978 56.029 -0.051 1
1 369 . 18 1 1 A 35 35 LEU CB C 35 44.352 42.937 1.415 1
1 373 . 18 1 1 A 35 35 LEU N N 35 120.632 120.169 0.463 1
1 374 . 18 1 1 A 36 36 SER H H 36 9.064 7.894 1.170 1
1 375 . 18 1 1 A 36 36 SER HA H 36 5.059 5.144 -0.085 1
1 378 . 18 1 1 A 36 36 SER C C 36 173.878 172.521 1.357 1
1 379 . 18 1 1 A 36 36 SER CA C 36 57.667 57.455 0.212 1
1 380 . 18 1 1 A 36 36 SER CB C 36 66.140 66.548 -0.408 1
1 381 . 18 1 1 A 36 36 SER N N 36 115.030 109.415 5.615 1
1 382 . 18 1 1 A 37 37 ILE H H 37 8.981 9.202 -0.221 1
1 383 . 18 1 1 A 37 37 ILE HA H 37 5.055 5.170 -0.115 1
1 393 . 18 1 1 A 37 37 ILE C C 37 174.995 174.847 0.148 1
1 394 . 18 1 1 A 37 37 ILE CA C 37 61.061 60.587 0.474 1
1 395 . 18 1 1 A 37 37 ILE CB C 37 39.355 39.329 0.026 1
1 399 . 18 1 1 A 37 37 ILE N N 37 122.186 120.518 1.668 1
1 400 . 18 1 1 A 38 38 SER H H 38 9.422 8.948 0.474 1
1 401 . 18 1 1 A 38 38 SER HA H 38 5.297 5.221 0.076 1
1 404 . 18 1 1 A 38 38 SER C C 38 172.177 173.818 -1.641 1
1 405 . 18 1 1 A 38 38 SER CA C 38 56.910 58.157 -1.247 1
1 406 . 18 1 1 A 38 38 SER CB C 38 66.018 64.550 1.468 1
1 407 . 18 1 1 A 38 38 SER N N 38 122.548 124.240 -1.692 1
1 408 . 18 1 1 A 39 39 TYR H H 39 7.649 8.892 -1.243 1
1 409 . 18 1 1 A 39 39 TYR HA H 39 6.025 6.226 -0.201 1
1 416 . 18 1 1 A 39 39 TYR C C 39 173.937 173.807 0.130 1
1 417 . 18 1 1 A 39 39 TYR CA C 39 54.144 55.433 -1.289 1
1 418 . 18 1 1 A 39 39 TYR CB C 39 41.722 42.040 -0.318 1
1 423 . 18 1 1 A 39 39 TYR N N 39 116.176 123.173 -6.997 1
1 424 . 18 1 1 A 40 40 TYR H H 40 9.647 8.144 1.503 1
1 425 . 18 1 1 A 40 40 TYR HA H 40 5.044 4.920 0.124 1
1 432 . 18 1 1 A 40 40 TYR CA C 40 56.928 56.544 0.384 1
1 433 . 18 1 1 A 40 40 TYR CB C 40 43.678 40.543 3.135 1
1 438 . 18 1 1 A 40 40 TYR N N 40 118.964 118.212 0.752 1
1 439 . 18 1 1 A 41 41 ASN H H 41 7.712 9.029 -1.317 1
1 440 . 18 1 1 A 41 41 ASN HA H 41 4.867 4.656 0.211 1
1 445 . 18 1 1 A 41 41 ASN CB C 41 39.279 38.292 0.987 1
1 446 . 18 1 1 A 41 41 ASN N N 41 109.731 122.405 -12.674 1
1 448 . 18 1 1 A 42 42 ASN H H 42 9.215 8.589 0.626 1
1 449 . 18 1 1 A 42 42 ASN HA H 42 4.868 5.182 -0.314 1
1 452 . 18 1 1 A 42 42 ASN CA C 42 52.812 55.232 -2.420 1
1 453 . 18 1 1 A 42 42 ASN CB C 42 39.180 41.515 -2.335 1
1 458 . 18 1 1 A 44 44 LYS CB C 44 35.364 36.570 -1.206 1
1 460 . 18 1 1 A 46 46 MET H H 46 8.285 8.646 -0.361 1
1 461 . 18 1 1 A 46 46 MET HA H 46 4.218 4.578 -0.360 1
1 466 . 18 1 1 A 46 46 MET CA C 46 56.523 54.762 1.761 1
1 467 . 18 1 1 A 46 46 MET CB C 46 33.665 31.559 2.106 1
1 469 . 18 1 1 A 47 47 TYR H H 47 7.965 7.860 0.105 1
1 470 . 18 1 1 A 47 47 TYR HA H 47 4.935 4.845 0.090 1
1 477 . 18 1 1 A 47 47 TYR CA C 47 55.861 56.610 -0.749 1
1 478 . 18 1 1 A 47 47 TYR CB C 47 38.476 41.137 -2.661 1
1 483 . 18 1 1 A 47 47 TYR N N 47 117.521 119.077 -1.556 1
1 484 . 18 1 1 A 49 49 LYS H H 49 8.704 7.738 0.966 1
1 485 . 18 1 1 A 49 49 LYS HA H 49 4.369 4.192 0.177 1
1 494 . 18 1 1 A 49 49 LYS CA C 49 54.891 56.275 -1.384 1
1 495 . 18 1 1 A 49 49 LYS CB C 49 32.501 33.030 -0.529 1
1 499 . 18 1 1 A 50 50 GLY H H 50 6.985 8.453 -1.468 1
1 500 . 18 1 1 A 50 50 GLY HA2 H 50 3.825 2.850 0.975 1
1 501 . 18 1 1 A 50 50 GLY HA3 H 50 3.265 3.828 -0.563 1
1 502 . 18 1 1 A 50 50 GLY C C 50 170.241 173.520 -3.279 1
1 503 . 18 1 1 A 50 50 GLY CA C 50 45.039 45.404 -0.365 1
1 504 . 18 1 1 A 50 50 GLY N N 50 108.097 112.422 -4.325 1
1 505 . 18 1 1 A 51 51 ILE H H 51 7.890 8.462 -0.572 1
1 506 . 18 1 1 A 51 51 ILE HA H 51 4.777 5.132 -0.355 1
1 516 . 18 1 1 A 51 51 ILE C C 51 175.026 173.709 1.317 1
1 517 . 18 1 1 A 51 51 ILE CA C 51 60.217 59.341 0.876 1
1 518 . 18 1 1 A 51 51 ILE CB C 51 42.388 42.018 0.370 1
1 522 . 18 1 1 A 51 51 ILE N N 51 117.769 124.403 -6.634 1
1 523 . 18 1 1 A 52 52 ILE H H 52 9.485 9.535 -0.050 1
1 524 . 18 1 1 A 52 52 ILE HA H 52 4.533 4.811 -0.278 1
1 534 . 18 1 1 A 52 52 ILE C C 52 173.526 174.688 -1.162 1
1 535 . 18 1 1 A 52 52 ILE CA C 52 57.983 57.827 0.156 1
1 536 . 18 1 1 A 52 52 ILE CB C 52 40.324 39.958 0.366 1
1 540 . 18 1 1 A 52 52 ILE N N 52 127.899 128.527 -0.628 1
1 541 . 18 1 1 A 53 53 PRO HA H 53 4.501 4.763 -0.262 1
1 548 . 18 1 1 A 53 53 PRO C C 53 177.663 178.074 -0.411 1
1 549 . 18 1 1 A 53 53 PRO CA C 53 62.838 63.025 -0.187 1
1 550 . 18 1 1 A 53 53 PRO CB C 53 31.939 31.722 0.217 1
1 553 . 18 1 1 A 54 54 LEU H H 54 8.647 8.834 -0.187 1
1 554 . 18 1 1 A 54 54 LEU HA H 54 3.985 4.106 -0.121 1
1 564 . 18 1 1 A 54 54 LEU C C 54 178.940 178.448 0.492 1
1 565 . 18 1 1 A 54 54 LEU CA C 54 58.371 58.084 0.287 1
1 566 . 18 1 1 A 54 54 LEU CB C 54 42.388 41.968 0.420 1
1 570 . 18 1 1 A 54 54 LEU N N 54 124.847 127.059 -2.212 1
1 571 . 18 1 1 A 55 55 SER H H 55 8.278 8.050 0.228 1
1 572 . 18 1 1 A 55 55 SER HA H 55 4.169 4.078 0.091 1
1 575 . 18 1 1 A 55 55 SER C C 55 174.956 176.593 -1.637 1
1 576 . 18 1 1 A 55 55 SER CA C 55 59.971 62.096 -2.125 1
1 577 . 18 1 1 A 55 55 SER CB C 55 62.721 62.762 -0.041 1
1 578 . 18 1 1 A 55 55 SER N N 55 109.639 116.281 -6.642 1
1 579 . 18 1 1 A 56 56 ALA H H 56 7.796 8.241 -0.445 1
1 580 . 18 1 1 A 56 56 ALA HA H 56 4.545 4.166 0.379 1
1 584 . 18 1 1 A 56 56 ALA C C 56 177.505 178.752 -1.247 1
1 585 . 18 1 1 A 56 56 ALA CA C 56 52.022 55.468 -3.446 1
1 586 . 18 1 1 A 56 56 ALA CB C 56 20.240 18.444 1.796 1
1 587 . 18 1 1 A 56 56 ALA N N 56 123.057 122.807 0.250 1
1 588 . 18 1 1 A 57 57 ILE H H 57 7.664 7.303 0.361 1
1 589 . 18 1 1 A 57 57 ILE HA H 57 4.035 4.411 -0.376 1
1 599 . 18 1 1 A 57 57 ILE C C 57 175.285 176.069 -0.784 1
1 600 . 18 1 1 A 57 57 ILE CA C 57 62.697 62.629 0.068 1
1 601 . 18 1 1 A 57 57 ILE CB C 57 38.474 37.722 0.752 1
1 605 . 18 1 1 A 57 57 ILE N N 57 119.512 118.733 0.779 1
1 606 . 18 1 1 A 58 58 SER H H 58 9.364 9.267 0.097 1
1 607 . 18 1 1 A 58 58 SER HA H 58 4.526 4.563 -0.037 1
1 610 . 18 1 1 A 58 58 SER C C 58 175.125 174.402 0.723 1
1 611 . 18 1 1 A 58 58 SER CA C 58 59.215 60.487 -1.272 1
1 612 . 18 1 1 A 58 58 SER CB C 58 63.590 64.334 -0.744 1
1 613 . 18 1 1 A 58 58 SER N N 58 122.513 123.008 -0.495 1
1 614 . 18 1 1 A 59 59 THR H H 59 7.502 7.669 -0.167 1
1 615 . 18 1 1 A 59 59 THR HA H 59 4.355 4.654 -0.299 1
1 620 . 18 1 1 A 59 59 THR C C 59 170.784 172.040 -1.256 1
1 621 . 18 1 1 A 59 59 THR CA C 59 61.132 60.674 0.458 1
1 622 . 18 1 1 A 59 59 THR CB C 59 68.686 70.605 -1.919 1
1 624 . 18 1 1 A 59 59 THR N N 59 112.470 112.164 0.306 1
1 625 . 18 1 1 A 60 60 VAL H H 60 7.766 8.468 -0.702 1
1 626 . 18 1 1 A 60 60 VAL HA H 60 5.326 4.873 0.453 1
1 634 . 18 1 1 A 60 60 VAL C C 60 174.166 174.550 -0.384 1
1 635 . 18 1 1 A 60 60 VAL CA C 60 60.410 61.160 -0.750 1
1 636 . 18 1 1 A 60 60 VAL CB C 60 34.979 35.192 -0.213 1
1 639 . 18 1 1 A 60 60 VAL N N 60 121.276 123.118 -1.842 1
1 640 . 18 1 1 A 61 61 ARG H H 61 8.941 9.045 -0.104 1
1 641 . 18 1 1 A 61 61 ARG HA H 61 5.053 4.959 0.094 1
1 648 . 18 1 1 A 61 61 ARG C C 61 175.460 174.552 0.908 1
1 649 . 18 1 1 A 61 61 ARG CA C 61 54.166 53.893 0.273 1
1 650 . 18 1 1 A 61 61 ARG CB C 61 34.000 33.993 0.007 1
1 653 . 18 1 1 A 61 61 ARG N N 61 121.101 124.536 -3.435 1
1 654 . 18 1 1 A 62 62 VAL H H 62 8.627 8.429 0.198 1
1 655 . 18 1 1 A 62 62 VAL HA H 62 4.195 4.786 -0.591 1
1 663 . 18 1 1 A 62 62 VAL C C 62 175.216 174.152 1.064 1
1 664 . 18 1 1 A 62 62 VAL CA C 62 62.926 60.674 2.252 1
1 665 . 18 1 1 A 62 62 VAL CB C 62 33.459 33.503 -0.044 1
1 668 . 18 1 1 A 62 62 VAL N N 62 118.451 115.356 3.095 1
1 669 . 18 1 1 A 63 63 GLN H H 63 7.628 8.938 -1.310 1
1 670 . 18 1 1 A 63 63 GLN HA H 63 4.575 4.816 -0.241 1
1 677 . 18 1 1 A 63 63 GLN C C 63 174.418 176.947 -2.529 1
1 678 . 18 1 1 A 63 63 GLN CA C 63 55.451 54.090 1.361 1
1 679 . 18 1 1 A 63 63 GLN CB C 63 32.062 31.377 0.685 1
1 681 . 18 1 1 A 63 63 GLN N N 63 123.160 124.063 -0.903 1
1 683 . 18 1 1 A 64 64 GLY H H 64 8.678 8.763 -0.085 1
1 684 . 18 1 1 A 64 64 GLY HA2 H 64 4.025 3.826 0.199 1
1 685 . 18 1 1 A 64 64 GLY HA3 H 64 3.895 3.829 0.066 1
1 686 . 18 1 1 A 64 64 GLY C C 64 174.592 175.316 -0.724 1
1 687 . 18 1 1 A 64 64 GLY CA C 64 45.531 47.492 -1.961 1
1 688 . 18 1 1 A 64 64 GLY N N 64 112.406 111.137 1.269 1
1 689 . 18 1 1 A 65 65 ASP HA H 65 4.625 4.650 -0.025 1
1 692 . 18 1 1 A 65 65 ASP C C 65 176.902 176.562 0.340 1
1 693 . 18 1 1 A 65 65 ASP CA C 65 55.486 54.353 1.133 1
1 694 . 18 1 1 A 65 65 ASP CB C 65 40.817 41.581 -0.764 1
1 695 . 18 1 1 A 66 66 ASN H H 66 7.979 8.757 -0.778 1
1 696 . 18 1 1 A 66 66 ASN HA H 66 4.554 4.844 -0.290 1
1 701 . 18 1 1 A 66 66 ASN C C 66 174.456 173.573 0.883 1
1 702 . 18 1 1 A 66 66 ASN CA C 66 52.795 52.912 -0.117 1
1 703 . 18 1 1 A 66 66 ASN CB C 66 37.981 36.447 1.534 1
1 704 . 18 1 1 A 66 66 ASN N N 66 112.071 119.172 -7.101 1
1 706 . 18 1 1 A 67 67 LYS H H 67 7.476 7.972 -0.496 1
1 707 . 18 1 1 A 67 67 LYS HA H 67 5.914 4.948 0.966 1
1 716 . 18 1 1 A 67 67 LYS C C 67 177.922 175.091 2.831 1
1 717 . 18 1 1 A 67 67 LYS CA C 67 54.906 54.440 0.466 1
1 718 . 18 1 1 A 67 67 LYS CB C 67 36.707 36.836 -0.129 1
1 722 . 18 1 1 A 67 67 LYS N N 67 115.613 117.478 -1.865 1
1 723 . 18 1 1 A 68 68 PHE H H 68 9.227 8.066 1.161 1
1 724 . 18 1 1 A 68 68 PHE HA H 68 5.296 5.471 -0.175 1
1 732 . 18 1 1 A 68 68 PHE C C 68 171.230 172.334 -1.104 1
1 733 . 18 1 1 A 68 68 PHE CA C 68 56.576 55.458 1.118 1
1 734 . 18 1 1 A 68 68 PHE CB C 68 42.790 42.251 0.539 1
1 740 . 18 1 1 A 68 68 PHE N N 68 117.009 116.890 0.119 1
1 741 . 18 1 1 A 69 69 GLU H H 69 9.527 8.888 0.639 1
1 742 . 18 1 1 A 69 69 GLU HA H 69 5.434 4.977 0.457 1
1 747 . 18 1 1 A 69 69 GLU C C 69 175.659 175.397 0.262 1
1 748 . 18 1 1 A 69 69 GLU CA C 69 53.429 55.312 -1.883 1
1 749 . 18 1 1 A 69 69 GLU CB C 69 33.460 31.903 1.557 1
1 751 . 18 1 1 A 69 69 GLU N N 69 119.470 120.302 -0.832 1
1 752 . 18 1 1 A 70 70 VAL H H 70 9.486 8.732 0.754 1
1 753 . 18 1 1 A 70 70 VAL HA H 70 4.486 4.529 -0.043 1
1 761 . 18 1 1 A 70 70 VAL C C 70 174.403 175.828 -1.425 1
1 762 . 18 1 1 A 70 70 VAL CA C 70 62.240 62.396 -0.156 1
1 763 . 18 1 1 A 70 70 VAL CB C 70 33.706 31.180 2.526 1
1 766 . 18 1 1 A 70 70 VAL N N 70 123.935 127.264 -3.329 1
1 767 . 18 1 1 A 71 71 VAL H H 71 8.658 8.252 0.406 1
1 768 . 18 1 1 A 71 71 VAL HA H 71 4.345 4.125 0.220 1
1 776 . 18 1 1 A 71 71 VAL C C 71 175.524 175.797 -0.273 1
1 777 . 18 1 1 A 71 71 VAL CA C 71 63.365 63.443 -0.078 1
1 778 . 18 1 1 A 71 71 VAL CB C 71 32.802 31.530 1.272 1
1 781 . 18 1 1 A 71 71 VAL N N 71 129.195 128.283 0.912 1
1 782 . 18 1 1 A 72 72 THR H H 72 8.134 8.145 -0.011 1
1 783 . 18 1 1 A 72 72 THR HA H 72 5.515 5.265 0.250 1
1 788 . 18 1 1 A 72 72 THR C C 72 174.609 174.867 -0.258 1
1 789 . 18 1 1 A 72 72 THR CA C 72 59.496 59.977 -0.481 1
1 790 . 18 1 1 A 72 72 THR CB C 72 72.139 71.899 0.240 1
1 792 . 18 1 1 A 72 72 THR N N 72 117.639 117.276 0.363 1
1 793 . 18 1 1 A 73 73 THR H H 73 8.944 8.727 0.217 1
1 794 . 18 1 1 A 73 73 THR HA H 73 3.966 3.844 0.122 1
1 799 . 18 1 1 A 73 73 THR C C 73 175.783 175.834 -0.051 1
1 800 . 18 1 1 A 73 73 THR CA C 73 65.880 66.785 -0.905 1
1 801 . 18 1 1 A 73 73 THR CB C 73 68.604 69.050 -0.446 1
1 803 . 18 1 1 A 73 73 THR N N 73 114.027 118.654 -4.627 1
1 804 . 18 1 1 A 74 74 GLN H H 74 7.997 7.948 0.049 1
1 805 . 18 1 1 A 74 74 GLN HA H 74 4.350 4.164 0.186 1
1 812 . 18 1 1 A 74 74 GLN C C 74 175.698 176.199 -0.501 1
1 813 . 18 1 1 A 74 74 GLN CA C 74 56.910 58.714 -1.804 1
1 814 . 18 1 1 A 74 74 GLN CB C 74 30.624 28.734 1.890 1
1 816 . 18 1 1 A 74 74 GLN N N 74 115.670 118.430 -2.760 1
1 818 . 18 1 1 A 75 75 ARG H H 75 7.366 7.507 -0.141 1
1 819 . 18 1 1 A 75 75 ARG HA H 75 4.395 4.468 -0.073 1
1 826 . 18 1 1 A 75 75 ARG C C 75 174.546 173.812 0.734 1
1 827 . 18 1 1 A 75 75 ARG CA C 75 55.802 55.358 0.444 1
1 828 . 18 1 1 A 75 75 ARG CB C 75 32.514 32.690 -0.176 1
1 831 . 18 1 1 A 75 75 ARG N N 75 115.650 116.781 -1.131 1
1 832 . 18 1 1 A 76 76 THR H H 76 8.679 8.460 0.219 1
1 833 . 18 1 1 A 76 76 THR HA H 76 5.065 4.050 1.015 1
1 838 . 18 1 1 A 76 76 THR C C 76 173.239 173.831 -0.592 1
1 839 . 18 1 1 A 76 76 THR CA C 76 61.888 63.629 -1.741 1
1 840 . 18 1 1 A 76 76 THR CB C 76 69.878 69.607 0.271 1
1 842 . 18 1 1 A 76 76 THR N N 76 120.285 120.906 -0.621 1
1 843 . 18 1 1 A 77 77 PHE H H 77 9.156 8.856 0.300 1
1 844 . 18 1 1 A 77 77 PHE HA H 77 4.385 5.049 -0.664 1
1 852 . 18 1 1 A 77 77 PHE C C 77 174.028 174.570 -0.542 1
1 853 . 18 1 1 A 77 77 PHE CA C 77 56.822 55.738 1.084 1
1 854 . 18 1 1 A 77 77 PHE CB C 77 41.640 43.724 -2.084 1
1 860 . 18 1 1 A 77 77 PHE N N 77 127.212 124.235 2.977 1
1 861 . 18 1 1 A 78 78 VAL H H 78 8.374 8.364 0.010 1
1 862 . 18 1 1 A 78 78 VAL HA H 78 4.506 4.696 -0.190 1
1 870 . 18 1 1 A 78 78 VAL C C 78 173.264 174.448 -1.184 1
1 871 . 18 1 1 A 78 78 VAL CA C 78 61.730 60.897 0.833 1
1 872 . 18 1 1 A 78 78 VAL CB C 78 33.254 35.639 -2.385 1
1 875 . 18 1 1 A 78 78 VAL N N 78 123.393 119.381 4.012 1
1 876 . 18 1 1 A 79 79 PHE H H 79 8.458 8.062 0.396 1
1 877 . 18 1 1 A 79 79 PHE HA H 79 5.403 4.965 0.438 1
1 885 . 18 1 1 A 79 79 PHE C C 79 173.855 173.486 0.369 1
1 886 . 18 1 1 A 79 79 PHE CA C 79 55.151 55.323 -0.172 1
1 887 . 18 1 1 A 79 79 PHE CB C 79 42.913 42.201 0.712 1
1 893 . 18 1 1 A 79 79 PHE N N 79 123.801 124.792 -0.991 1
1 894 . 18 1 1 A 80 80 ARG H H 80 9.407 8.575 0.832 1
1 895 . 18 1 1 A 80 80 ARG HA H 80 5.134 4.889 0.245 1
1 902 . 18 1 1 A 80 80 ARG C C 80 174.634 175.575 -0.941 1
1 903 . 18 1 1 A 80 80 ARG CA C 80 54.431 53.995 0.436 1
1 904 . 18 1 1 A 80 80 ARG CB C 80 35.227 33.211 2.016 1
1 907 . 18 1 1 A 80 80 ARG N N 80 121.570 123.580 -2.010 1
1 908 . 18 1 1 A 81 81 VAL H H 81 8.544 8.396 0.148 1
1 909 . 18 1 1 A 81 81 VAL HA H 81 4.708 4.859 -0.151 1
1 917 . 18 1 1 A 81 81 VAL C C 81 175.050 175.781 -0.731 1
1 918 . 18 1 1 A 81 81 VAL CA C 81 59.602 59.579 0.023 1
1 919 . 18 1 1 A 81 81 VAL CB C 81 33.706 34.566 -0.860 1
1 922 . 18 1 1 A 81 81 VAL N N 81 122.128 121.120 1.008 1
1 923 . 18 1 1 A 82 82 GLU H H 82 8.549 9.142 -0.593 1
1 924 . 18 1 1 A 82 82 GLU HA H 82 4.132 4.425 -0.293 1
1 929 . 18 1 1 A 82 82 GLU C C 82 176.909 175.493 1.416 1
1 930 . 18 1 1 A 82 82 GLU CA C 82 58.973 57.194 1.779 1
1 931 . 18 1 1 A 82 82 GLU CB C 82 30.582 31.390 -0.808 1
1 933 . 18 1 1 A 82 82 GLU N N 82 121.776 121.796 -0.020 1
1 934 . 18 1 1 A 83 83 LYS H H 83 7.618 7.572 0.046 1
1 935 . 18 1 1 A 83 83 LYS HA H 83 4.708 4.674 0.034 1
1 944 . 18 1 1 A 83 83 LYS C C 83 176.665 176.470 0.195 1
1 945 . 18 1 1 A 83 83 LYS CA C 83 54.694 54.778 -0.084 1
1 946 . 18 1 1 A 83 83 LYS CB C 83 34.775 35.633 -0.858 1
1 950 . 18 1 1 A 83 83 LYS N N 83 115.778 117.646 -1.868 1
1 951 . 18 1 1 A 84 84 GLU H H 84 9.150 8.932 0.218 1
1 952 . 18 1 1 A 84 84 GLU HA H 84 3.953 3.862 0.091 1
1 957 . 18 1 1 A 84 84 GLU C C 84 178.243 177.912 0.331 1
1 958 . 18 1 1 A 84 84 GLU CA C 84 60.217 60.265 -0.048 1
1 959 . 18 1 1 A 84 84 GLU CB C 84 29.843 29.605 0.238 1
1 961 . 18 1 1 A 84 84 GLU N N 84 127.798 124.702 3.096 1
1 962 . 18 1 1 A 85 85 GLU H H 85 9.626 8.408 1.218 1
1 963 . 18 1 1 A 85 85 GLU HA H 85 4.100 4.019 0.081 1
1 968 . 18 1 1 A 85 85 GLU C C 85 178.948 178.569 0.379 1
1 969 . 18 1 1 A 85 85 GLU CA C 85 59.847 59.677 0.170 1
1 970 . 18 1 1 A 85 85 GLU CB C 85 28.897 28.998 -0.101 1
1 972 . 18 1 1 A 85 85 GLU N N 85 117.844 118.732 -0.888 1
1 973 . 18 1 1 A 86 86 GLU H H 86 7.257 8.429 -1.172 1
1 974 . 18 1 1 A 86 86 GLU HA H 86 4.365 3.935 0.430 1
1 979 . 18 1 1 A 86 86 GLU C C 86 178.607 179.202 -0.595 1
1 980 . 18 1 1 A 86 86 GLU CA C 86 58.089 59.310 -1.221 1
1 981 . 18 1 1 A 86 86 GLU CB C 86 30.212 29.421 0.791 1
1 983 . 18 1 1 A 86 86 GLU N N 86 118.075 118.000 0.075 1
1 984 . 18 1 1 A 87 87 ARG H H 87 7.919 7.491 0.428 1
1 985 . 18 1 1 A 87 87 ARG HA H 87 3.838 4.106 -0.268 1
1 992 . 18 1 1 A 87 87 ARG C C 87 177.977 178.210 -0.233 1
1 993 . 18 1 1 A 87 87 ARG CA C 87 60.815 59.317 1.498 1
1 994 . 18 1 1 A 87 87 ARG CB C 87 28.856 30.194 -1.338 1
1 997 . 18 1 1 A 87 87 ARG N N 87 121.287 120.733 0.554 1
1 998 . 18 1 1 A 88 88 ASN H H 88 8.421 8.079 0.342 1
1 999 . 18 1 1 A 88 88 ASN HA H 88 4.295 4.425 -0.130 1
1 1004 . 18 1 1 A 88 88 ASN C C 88 177.423 177.259 0.164 1
1 1005 . 18 1 1 A 88 88 ASN CA C 88 55.627 55.916 -0.289 1
1 1006 . 18 1 1 A 88 88 ASN CB C 88 37.136 37.741 -0.605 1
1 1007 . 18 1 1 A 88 88 ASN N N 88 116.926 115.772 1.154 1
1 1009 . 18 1 1 A 89 89 ASP H H 89 7.790 8.132 -0.342 1
1 1010 . 18 1 1 A 89 89 ASP HA H 89 4.389 4.169 0.220 1
1 1013 . 18 1 1 A 89 89 ASP C C 89 177.683 178.875 -1.192 1
1 1014 . 18 1 1 A 89 89 ASP CA C 89 57.737 57.301 0.436 1
1 1015 . 18 1 1 A 89 89 ASP CB C 89 41.352 40.434 0.918 1
1 1016 . 18 1 1 A 89 89 ASP N N 89 121.867 119.205 2.662 1
1 1017 . 18 1 1 A 90 90 TRP H H 90 7.690 8.017 -0.327 1
1 1018 . 18 1 1 A 90 90 TRP HA H 90 3.666 4.308 -0.642 1
1 1027 . 18 1 1 A 90 90 TRP C C 90 177.880 178.765 -0.885 1
1 1028 . 18 1 1 A 90 90 TRP CA C 90 61.704 59.443 2.261 1
1 1029 . 18 1 1 A 90 90 TRP CB C 90 29.594 29.207 0.387 1
1 1035 . 18 1 1 A 90 90 TRP N N 90 117.617 120.294 -2.677 1
1 1037 . 18 1 1 A 91 91 ILE H H 91 7.654 7.980 -0.326 1
1 1038 . 18 1 1 A 91 91 ILE HA H 91 3.275 3.486 -0.211 1
1 1048 . 18 1 1 A 91 91 ILE C C 91 177.138 178.093 -0.955 1
1 1049 . 18 1 1 A 91 91 ILE CA C 91 65.001 65.660 -0.659 1
1 1050 . 18 1 1 A 91 91 ILE CB C 91 36.913 37.587 -0.674 1
1 1054 . 18 1 1 A 91 91 ILE N N 91 114.248 120.219 -5.971 1
1 1055 . 18 1 1 A 92 92 SER H H 92 8.055 8.177 -0.122 1
1 1056 . 18 1 1 A 92 92 SER HA H 92 4.045 4.081 -0.036 1
1 1059 . 18 1 1 A 92 92 SER C C 92 177.204 177.433 -0.229 1
1 1060 . 18 1 1 A 92 92 SER CA C 92 61.923 61.565 0.358 1
1 1061 . 18 1 1 A 92 92 SER CB C 92 62.767 62.895 -0.128 1
1 1062 . 18 1 1 A 92 92 SER N N 92 114.018 115.801 -1.783 1
1 1063 . 18 1 1 A 93 93 ILE H H 93 7.926 7.655 0.271 1
1 1064 . 18 1 1 A 93 93 ILE HA H 93 3.795 3.681 0.114 1
1 1074 . 18 1 1 A 93 93 ILE C C 93 178.947 178.204 0.743 1
1 1075 . 18 1 1 A 93 93 ILE CA C 93 64.825 64.540 0.285 1
1 1076 . 18 1 1 A 93 93 ILE CB C 93 37.693 37.740 -0.047 1
1 1080 . 18 1 1 A 93 93 ILE N N 93 120.974 121.416 -0.442 1
1 1081 . 18 1 1 A 94 94 LEU H H 94 7.678 8.202 -0.524 1
1 1082 . 18 1 1 A 94 94 LEU HA H 94 3.634 3.647 -0.013 1
1 1092 . 18 1 1 A 94 94 LEU C C 94 178.551 178.724 -0.173 1
1 1093 . 18 1 1 A 94 94 LEU CA C 94 57.861 57.849 0.012 1
1 1094 . 18 1 1 A 94 94 LEU CB C 94 42.356 41.884 0.472 1
1 1098 . 18 1 1 A 94 94 LEU N N 94 121.223 119.588 1.635 1
1 1099 . 18 1 1 A 95 95 LEU H H 95 8.954 8.588 0.366 1
1 1100 . 18 1 1 A 95 95 LEU HA H 95 4.037 3.940 0.097 1
1 1110 . 18 1 1 A 95 95 LEU C C 95 180.858 178.767 2.091 1
1 1111 . 18 1 1 A 95 95 LEU CA C 95 58.194 57.590 0.604 1
1 1112 . 18 1 1 A 95 95 LEU CB C 95 41.286 41.408 -0.122 1
1 1116 . 18 1 1 A 95 95 LEU N N 95 118.177 117.774 0.403 1
1 1117 . 18 1 1 A 96 96 ASN H H 96 8.235 7.931 0.304 1
1 1118 . 18 1 1 A 96 96 ASN HA H 96 4.445 4.596 -0.151 1
1 1123 . 18 1 1 A 96 96 ASN C C 96 177.901 176.714 1.187 1
1 1124 . 18 1 1 A 96 96 ASN CA C 96 56.347 55.328 1.019 1
1 1125 . 18 1 1 A 96 96 ASN CB C 96 38.105 38.414 -0.309 1
1 1126 . 18 1 1 A 96 96 ASN N N 96 117.502 117.694 -0.192 1
1 1128 . 18 1 1 A 97 97 ALA H H 97 7.756 8.087 -0.331 1
1 1129 . 18 1 1 A 97 97 ALA HA H 97 4.305 4.401 -0.096 1
1 1133 . 18 1 1 A 97 97 ALA C C 97 180.315 180.005 0.310 1
1 1134 . 18 1 1 A 97 97 ALA CA C 97 54.906 54.236 0.670 1
1 1135 . 18 1 1 A 97 97 ALA CB C 97 19.214 18.957 0.257 1
1 1136 . 18 1 1 A 97 97 ALA N N 97 123.457 122.244 1.213 1
1 1137 . 18 1 1 A 98 98 LEU H H 98 8.335 8.218 0.117 1
1 1138 . 18 1 1 A 98 98 LEU HA H 98 4.055 4.018 0.037 1
1 1148 . 18 1 1 A 98 98 LEU C C 98 179.542 178.890 0.652 1
1 1149 . 18 1 1 A 98 98 LEU CA C 98 57.578 58.081 -0.503 1
1 1150 . 18 1 1 A 98 98 LEU CB C 98 42.174 41.744 0.430 1
1 1154 . 18 1 1 A 98 98 LEU N N 98 119.610 119.962 -0.352 1
1 1155 . 18 1 1 A 99 99 LYS H H 99 7.969 7.846 0.123 1
1 1156 . 18 1 1 A 99 99 LYS HA H 99 4.203 4.415 -0.212 1
1 1165 . 18 1 1 A 99 99 LYS C C 99 178.392 178.620 -0.228 1
1 1166 . 18 1 1 A 99 99 LYS CA C 99 58.563 58.912 -0.349 1
1 1167 . 18 1 1 A 99 99 LYS CB C 99 32.267 31.943 0.324 1
1 1171 . 18 1 1 A 99 99 LYS N N 99 119.323 118.395 0.928 1
1 1172 . 18 1 1 A 100 100 SER H H 100 7.854 8.111 -0.257 1
1 1173 . 18 1 1 A 100 100 SER HA H 100 4.404 4.114 0.290 1
1 1176 . 18 1 1 A 100 100 SER C C 100 175.449 176.365 -0.916 1
1 1177 . 18 1 1 A 100 100 SER CA C 100 60.076 61.727 -1.651 1
1 1178 . 18 1 1 A 100 100 SER CB C 100 63.600 62.712 0.888 1
1 1179 . 18 1 1 A 100 100 SER N N 100 114.116 117.841 -3.725 1
1 1180 . 18 1 1 A 101 101 GLN H H 101 7.863 7.810 0.053 1
1 1181 . 18 1 1 A 101 101 GLN HA H 101 4.294 4.097 0.197 1
1 1188 . 18 1 1 A 101 101 GLN C C 101 176.613 178.213 -1.600 1
1 1189 . 18 1 1 A 101 101 GLN CA C 101 57.121 58.267 -1.146 1
1 1190 . 18 1 1 A 101 101 GLN CB C 101 29.761 27.645 2.116 1
1 1192 . 18 1 1 A 101 101 GLN N N 101 120.923 119.420 1.503 1
1 1194 . 18 1 1 A 102 102 SER H H 102 8.170 8.140 0.030 1
1 1195 . 18 1 1 A 102 102 SER HA H 102 4.445 4.164 0.281 1
1 1198 . 18 1 1 A 102 102 SER C C 102 175.030 175.140 -0.110 1
1 1199 . 18 1 1 A 102 102 SER CA C 102 59.162 62.427 -3.265 1
1 1200 . 18 1 1 A 102 102 SER CB C 102 63.466 62.842 0.624 1
1 1201 . 18 1 1 A 102 102 SER N N 102 115.689 116.526 -0.837 1
1 1202 . 18 1 1 A 103 103 LEU H H 103 8.111 7.278 0.833 1
1 1203 . 18 1 1 A 103 103 LEU HA H 103 4.400 4.416 -0.016 1
1 1213 . 18 1 1 A 103 103 LEU C C 103 178.263 176.416 1.847 1
1 1214 . 18 1 1 A 103 103 LEU CA C 103 55.908 54.719 1.189 1
1 1215 . 18 1 1 A 103 103 LEU CB C 103 42.215 42.448 -0.233 1
1 1219 . 18 1 1 A 103 103 LEU N N 103 123.252 118.478 4.774 1
1 1220 . 18 1 1 A 104 104 THR H H 104 8.064 8.414 -0.350 1
1 1221 . 18 1 1 A 104 104 THR HA H 104 4.354 4.248 0.106 1
1 1226 . 18 1 1 A 104 104 THR C C 104 175.092 173.426 1.666 1
1 1227 . 18 1 1 A 104 104 THR CA C 104 62.368 63.286 -0.918 1
1 1228 . 18 1 1 A 104 104 THR CB C 104 69.673 69.004 0.669 1
1 1230 . 18 1 1 A 104 104 THR N N 104 113.441 117.432 -3.991 1
1 1231 . 18 1 1 A 105 105 SER H H 105 8.231 8.833 -0.602 1
1 1232 . 18 1 1 A 105 105 SER C C 105 177.959 173.303 4.656 1
1 1233 . 18 1 1 A 105 105 SER CA C 105 58.406 57.081 1.325 1
1 1234 . 18 1 1 A 105 105 SER CB C 105 63.507 65.742 -2.235 1
1 1235 . 18 1 1 A 105 105 SER N N 105 117.638 122.978 -5.340 1
1 1236 . 18 1 1 A 106 106 GLN HA H 106 4.365 4.812 -0.447 1
1 1239 . 18 1 1 A 106 106 GLN C C 106 176.322 175.520 0.802 1
1 1240 . 18 1 1 A 106 106 GLN CA C 106 56.189 55.773 0.416 1
1 1241 . 18 1 1 A 106 106 GLN CB C 106 29.226 29.274 -0.048 1
1 1243 . 18 1 1 A 107 107 SER H H 107 8.287 8.997 -0.710 1
1 1244 . 18 1 1 A 107 107 SER HA H 107 4.404 5.037 -0.633 1
1 1246 . 18 1 1 A 107 107 SER C C 107 174.687 171.904 2.783 1
1 1247 . 18 1 1 A 107 107 SER CA C 107 58.722 57.723 0.999 1
1 1248 . 18 1 1 A 107 107 SER CB C 107 63.713 66.949 -3.236 1
1 1249 . 18 1 1 A 107 107 SER N N 107 116.578 119.687 -3.109 1
1 1250 . 18 1 1 A 108 108 GLN H H 108 8.354 8.589 -0.235 1
1 1251 . 18 1 1 A 108 108 GLN HA H 108 4.349 4.823 -0.474 1
1 1258 . 18 1 1 A 108 108 GLN C C 108 175.798 175.398 0.400 1
1 1259 . 18 1 1 A 108 108 GLN CA C 108 55.820 54.923 0.897 1
1 1260 . 18 1 1 A 108 108 GLN CB C 108 29.432 30.192 -0.760 1
1 1262 . 18 1 1 A 108 108 GLN N N 108 122.015 122.963 -0.948 1
1 1264 . 18 1 1 A 109 109 ALA H H 109 8.301 8.938 -0.637 1
1 1265 . 18 1 1 A 109 109 ALA HA H 109 4.345 5.281 -0.936 1
1 1269 . 18 1 1 A 109 109 ALA C C 109 177.749 175.412 2.337 1
1 1270 . 18 1 1 A 109 109 ALA CA C 109 52.672 50.731 1.941 1
1 1271 . 18 1 1 A 109 109 ALA CB C 109 19.237 24.246 -5.009 1
1 1272 . 18 1 1 A 109 109 ALA N N 109 125.243 128.991 -3.748 1
1 1273 . 18 1 1 A 110 110 SER H H 110 8.290 8.943 -0.653 1
1 1274 . 18 1 1 A 110 110 SER HA H 110 4.459 4.829 -0.370 1
1 1277 . 18 1 1 A 110 110 SER C C 110 174.593 172.667 1.926 1
1 1278 . 18 1 1 A 110 110 SER CA C 110 58.248 56.909 1.339 1
1 1279 . 18 1 1 A 110 110 SER CB C 110 63.918 65.112 -1.194 1
1 1280 . 18 1 1 A 110 110 SER N N 110 115.148 113.118 2.030 1
1 1281 . 18 1 1 A 111 111 GLY H H 111 8.199 8.568 -0.369 1
1 1282 . 18 1 1 A 111 111 GLY HA2 H 111 4.167 4.523 -0.356 1
1 1283 . 18 1 1 A 111 111 GLY HA3 H 111 4.094 4.530 -0.436 1
1 1284 . 18 1 1 A 111 111 GLY C C 111 171.782 172.331 -0.549 1
1 1285 . 18 1 1 A 111 111 GLY CA C 111 44.652 45.471 -0.819 1
1 1286 . 18 1 1 A 111 111 GLY N N 111 110.586 110.437 0.149 1
1 1287 . 18 1 1 A 112 112 PRO HA H 112 4.471 4.527 -0.056 1
1 1294 . 18 1 1 A 112 112 PRO CA C 112 63.154 62.849 0.305 1
1 1295 . 18 1 1 A 112 112 PRO CB C 112 32.314 31.912 0.402 1
1 1 . 19 1 1 A 7 7 GLY H H 7 9.055 8.452 0.603 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.908 4.120 -0.212 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 3.968 4.136 -0.168 1
1 4 . 19 1 1 A 7 7 GLY C C 7 173.671 173.434 0.237 1
1 5 . 19 1 1 A 7 7 GLY CA C 7 45.421 44.739 0.682 1
1 6 . 19 1 1 A 8 8 LYS H H 8 8.145 8.630 -0.485 1
1 7 . 19 1 1 A 8 8 LYS HA H 8 4.345 4.519 -0.174 1
1 16 . 19 1 1 A 8 8 LYS C C 8 175.255 175.791 -0.536 1
1 17 . 19 1 1 A 8 8 LYS CA C 8 56.330 55.864 0.466 1
1 18 . 19 1 1 A 8 8 LYS CB C 8 33.583 33.203 0.380 1
1 22 . 19 1 1 A 8 8 LYS N N 8 120.101 122.017 -1.916 1
1 23 . 19 1 1 A 9 9 VAL H H 9 7.579 7.477 0.102 1
1 24 . 19 1 1 A 9 9 VAL HA H 9 4.473 4.835 -0.362 1
1 32 . 19 1 1 A 9 9 VAL C C 9 174.860 174.278 0.582 1
1 33 . 19 1 1 A 9 9 VAL CA C 9 59.989 58.777 1.212 1
1 34 . 19 1 1 A 9 9 VAL CB C 9 34.218 35.983 -1.765 1
1 37 . 19 1 1 A 9 9 VAL N N 9 114.437 117.619 -3.182 1
1 38 . 19 1 1 A 10 10 LYS H H 10 8.236 8.138 0.098 1
1 39 . 19 1 1 A 10 10 LYS HA H 10 4.345 4.594 -0.249 1
1 48 . 19 1 1 A 10 10 LYS C C 10 172.963 174.038 -1.075 1
1 49 . 19 1 1 A 10 10 LYS CA C 10 56.096 55.401 0.695 1
1 50 . 19 1 1 A 10 10 LYS CB C 10 36.131 35.905 0.226 1
1 54 . 19 1 1 A 10 10 LYS N N 10 122.938 121.840 1.098 1
1 55 . 19 1 1 A 11 11 SER H H 11 8.168 8.286 -0.118 1
1 56 . 19 1 1 A 11 11 SER HA H 11 5.669 5.224 0.445 1
1 59 . 19 1 1 A 11 11 SER C C 11 173.281 172.958 0.323 1
1 60 . 19 1 1 A 11 11 SER CA C 11 55.960 57.165 -1.205 1
1 61 . 19 1 1 A 11 11 SER CB C 11 66.326 65.866 0.460 1
1 62 . 19 1 1 A 11 11 SER N N 11 119.068 116.698 2.370 1
1 63 . 19 1 1 A 12 12 GLY H H 12 8.248 7.693 0.555 1
1 64 . 19 1 1 A 12 12 GLY HA2 H 12 4.168 3.935 0.233 1
1 65 . 19 1 1 A 12 12 GLY HA3 H 12 3.478 4.139 -0.661 1
1 66 . 19 1 1 A 12 12 GLY C C 12 170.778 171.857 -1.079 1
1 67 . 19 1 1 A 12 12 GLY CA C 12 45.654 45.816 -0.162 1
1 68 . 19 1 1 A 12 12 GLY N N 12 108.756 107.560 1.196 1
1 69 . 19 1 1 A 13 13 TRP H H 13 8.622 8.749 -0.127 1
1 70 . 19 1 1 A 13 13 TRP HA H 13 5.398 4.725 0.673 1
1 79 . 19 1 1 A 13 13 TRP C C 13 177.511 176.441 1.070 1
1 80 . 19 1 1 A 13 13 TRP CA C 13 57.069 58.963 -1.894 1
1 81 . 19 1 1 A 13 13 TRP CB C 13 30.295 29.892 0.403 1
1 87 . 19 1 1 A 13 13 TRP N N 13 119.518 122.143 -2.625 1
1 89 . 19 1 1 A 14 14 LEU H H 14 9.524 8.694 0.830 1
1 90 . 19 1 1 A 14 14 LEU HA H 14 4.791 5.162 -0.371 1
1 100 . 19 1 1 A 14 14 LEU C C 14 175.381 175.961 -0.580 1
1 101 . 19 1 1 A 14 14 LEU CA C 14 54.096 53.215 0.881 1
1 102 . 19 1 1 A 14 14 LEU CB C 14 47.682 44.360 3.322 1
1 106 . 19 1 1 A 14 14 LEU N N 14 124.165 125.653 -1.488 1
1 107 . 19 1 1 A 15 15 ASP H H 15 8.335 8.604 -0.269 1
1 108 . 19 1 1 A 15 15 ASP HA H 15 5.424 5.016 0.408 1
1 111 . 19 1 1 A 15 15 ASP C C 15 175.302 175.119 0.183 1
1 112 . 19 1 1 A 15 15 ASP CA C 15 53.252 53.767 -0.515 1
1 113 . 19 1 1 A 15 15 ASP CB C 15 42.420 40.754 1.666 1
1 114 . 19 1 1 A 15 15 ASP N N 15 120.275 124.534 -4.259 1
1 115 . 19 1 1 A 16 16 LYS H H 16 9.444 8.901 0.543 1
1 116 . 19 1 1 A 16 16 LYS HA H 16 4.781 4.875 -0.094 1
1 125 . 19 1 1 A 16 16 LYS C C 16 176.244 174.989 1.255 1
1 126 . 19 1 1 A 16 16 LYS CA C 16 54.782 54.738 0.044 1
1 127 . 19 1 1 A 16 16 LYS CB C 16 36.666 34.262 2.404 1
1 131 . 19 1 1 A 16 16 LYS N N 16 125.854 126.396 -0.542 1
1 132 . 19 1 1 A 17 17 LEU H H 17 8.387 7.845 0.542 1
1 133 . 19 1 1 A 17 17 LEU HA H 17 3.476 4.172 -0.696 1
1 143 . 19 1 1 A 17 17 LEU C C 17 175.840 176.131 -0.291 1
1 144 . 19 1 1 A 17 17 LEU CA C 17 55.715 53.803 1.912 1
1 145 . 19 1 1 A 17 17 LEU CB C 17 41.986 41.716 0.270 1
1 149 . 19 1 1 A 17 17 LEU N N 17 130.736 126.943 3.793 1
1 150 . 19 1 1 A 18 18 SER H H 18 8.378 8.772 -0.394 1
1 151 . 19 1 1 A 18 18 SER HA H 18 4.563 4.371 0.192 1
1 154 . 19 1 1 A 18 18 SER C C 18 172.291 174.104 -1.813 1
1 155 . 19 1 1 A 18 18 SER CA C 18 55.697 62.150 -6.453 1
1 156 . 19 1 1 A 18 18 SER CB C 18 62.885 63.188 -0.303 1
1 157 . 19 1 1 A 18 18 SER N N 18 123.037 122.407 0.630 1
1 158 . 19 1 1 A 19 19 PRO HA H 19 4.414 4.514 -0.100 1
1 165 . 19 1 1 A 19 19 PRO CA C 19 63.946 62.188 1.758 1
1 166 . 19 1 1 A 19 19 PRO CB C 19 32.128 32.831 -0.703 1
1 169 . 19 1 1 A 20 20 GLN H H 20 8.085 8.456 -0.371 1
1 170 . 19 1 1 A 20 20 GLN HA H 20 4.353 4.516 -0.163 1
1 175 . 19 1 1 A 20 20 GLN CA C 20 55.533 55.883 -0.350 1
1 176 . 19 1 1 A 20 20 GLN CB C 20 30.130 29.573 0.557 1
1 178 . 19 1 1 A 20 20 GLN N N 20 119.721 120.933 -1.212 1
1 179 . 19 1 1 A 22 22 LYS H H 22 8.151 8.625 -0.474 1
1 180 . 19 1 1 A 22 22 LYS HA H 22 4.165 4.030 0.135 1
1 185 . 19 1 1 A 22 22 LYS C C 22 176.016 178.081 -2.065 1
1 186 . 19 1 1 A 22 22 LYS CA C 22 56.717 57.914 -1.197 1
1 187 . 19 1 1 A 22 22 LYS CB C 22 32.303 32.613 -0.310 1
1 191 . 19 1 1 A 23 23 ARG H H 23 8.329 7.632 0.697 1
1 192 . 19 1 1 A 23 23 ARG HA H 23 3.937 4.471 -0.534 1
1 199 . 19 1 1 A 23 23 ARG C C 23 174.937 174.857 0.080 1
1 200 . 19 1 1 A 23 23 ARG CA C 23 56.436 55.294 1.142 1
1 201 . 19 1 1 A 23 23 ARG CB C 23 29.144 28.907 0.237 1
1 204 . 19 1 1 A 23 23 ARG N N 23 119.006 118.917 0.089 1
1 205 . 19 1 1 A 24 24 MET H H 24 7.965 8.084 -0.119 1
1 206 . 19 1 1 A 24 24 MET HA H 24 4.492 5.041 -0.549 1
1 209 . 19 1 1 A 24 24 MET C C 24 174.737 174.100 0.637 1
1 210 . 19 1 1 A 24 24 MET CA C 24 55.134 54.133 1.001 1
1 211 . 19 1 1 A 24 24 MET CB C 24 33.665 35.408 -1.743 1
1 213 . 19 1 1 A 24 24 MET N N 24 120.460 117.419 3.041 1
1 214 . 19 1 1 A 25 25 PHE H H 25 8.593 9.310 -0.717 1
1 215 . 19 1 1 A 25 25 PHE HA H 25 4.788 5.037 -0.249 1
1 223 . 19 1 1 A 25 25 PHE C C 25 175.712 174.378 1.334 1
1 224 . 19 1 1 A 25 25 PHE CA C 25 57.421 56.269 1.152 1
1 225 . 19 1 1 A 25 25 PHE CB C 25 41.890 43.646 -1.756 1
1 231 . 19 1 1 A 25 25 PHE N N 25 121.330 119.204 2.126 1
1 232 . 19 1 1 A 26 26 GLN H H 26 8.758 9.298 -0.540 1
1 233 . 19 1 1 A 26 26 GLN HA H 26 4.777 4.919 -0.142 1
1 240 . 19 1 1 A 26 26 GLN C C 26 175.149 175.036 0.113 1
1 241 . 19 1 1 A 26 26 GLN CA C 26 53.991 54.552 -0.561 1
1 242 . 19 1 1 A 26 26 GLN CB C 26 32.144 30.344 1.800 1
1 244 . 19 1 1 A 26 26 GLN N N 26 119.081 120.879 -1.798 1
1 246 . 19 1 1 A 27 27 LYS H H 27 8.913 8.796 0.117 1
1 247 . 19 1 1 A 27 27 LYS HA H 27 4.933 4.468 0.465 1
1 256 . 19 1 1 A 27 27 LYS C C 27 177.786 175.481 2.305 1
1 257 . 19 1 1 A 27 27 LYS CA C 27 57.843 57.283 0.560 1
1 258 . 19 1 1 A 27 27 LYS CB C 27 32.720 33.053 -0.333 1
1 262 . 19 1 1 A 27 27 LYS N N 27 126.903 129.423 -2.520 1
1 263 . 19 1 1 A 28 28 ARG H H 28 9.847 8.746 1.101 1
1 264 . 19 1 1 A 28 28 ARG HA H 28 5.236 5.251 -0.015 1
1 271 . 19 1 1 A 28 28 ARG C C 28 173.319 174.994 -1.675 1
1 272 . 19 1 1 A 28 28 ARG CA C 28 53.481 54.709 -1.228 1
1 273 . 19 1 1 A 28 28 ARG CB C 28 34.405 33.991 0.414 1
1 276 . 19 1 1 A 28 28 ARG N N 28 127.032 125.314 1.718 1
1 277 . 19 1 1 A 29 29 TRP H H 29 8.408 8.090 0.318 1
1 278 . 19 1 1 A 29 29 TRP HA H 29 4.424 4.332 0.092 1
1 285 . 19 1 1 A 29 29 TRP C C 29 174.606 174.876 -0.270 1
1 286 . 19 1 1 A 29 29 TRP CA C 29 56.383 57.134 -0.751 1
1 287 . 19 1 1 A 29 29 TRP CB C 29 29.226 29.403 -0.177 1
1 292 . 19 1 1 A 29 29 TRP N N 29 124.511 125.587 -1.076 1
1 293 . 19 1 1 A 30 30 VAL H H 30 8.464 8.319 0.145 1
1 294 . 19 1 1 A 30 30 VAL HA H 30 4.736 4.862 -0.126 1
1 302 . 19 1 1 A 30 30 VAL C C 30 172.903 174.372 -1.469 1
1 303 . 19 1 1 A 30 30 VAL CA C 30 61.219 60.465 0.754 1
1 304 . 19 1 1 A 30 30 VAL CB C 30 32.925 34.185 -1.260 1
1 307 . 19 1 1 A 30 30 VAL N N 30 129.572 127.218 2.354 1
1 308 . 19 1 1 A 31 31 LYS H H 31 9.125 8.577 0.548 1
1 309 . 19 1 1 A 31 31 LYS HA H 31 5.095 4.848 0.247 1
1 318 . 19 1 1 A 31 31 LYS C C 31 175.396 174.186 1.210 1
1 319 . 19 1 1 A 31 31 LYS CA C 31 54.677 55.035 -0.358 1
1 320 . 19 1 1 A 31 31 LYS CB C 31 37.036 36.081 0.955 1
1 324 . 19 1 1 A 31 31 LYS N N 31 124.358 126.263 -1.905 1
1 325 . 19 1 1 A 32 32 PHE H H 32 9.725 8.914 0.811 1
1 326 . 19 1 1 A 32 32 PHE HA H 32 5.905 5.333 0.572 1
1 334 . 19 1 1 A 32 32 PHE C C 32 174.555 173.931 0.624 1
1 335 . 19 1 1 A 32 32 PHE CA C 32 56.224 56.124 0.100 1
1 336 . 19 1 1 A 32 32 PHE CB C 32 41.804 42.216 -0.412 1
1 342 . 19 1 1 A 32 32 PHE N N 32 125.979 127.833 -1.854 1
1 343 . 19 1 1 A 33 33 ASP H H 33 7.884 8.040 -0.156 1
1 344 . 19 1 1 A 33 33 ASP HA H 33 4.555 4.623 -0.068 1
1 347 . 19 1 1 A 33 33 ASP C C 33 175.730 175.833 -0.103 1
1 348 . 19 1 1 A 33 33 ASP CA C 33 52.602 52.998 -0.396 1
1 349 . 19 1 1 A 33 33 ASP CB C 33 41.686 40.903 0.783 1
1 350 . 19 1 1 A 33 33 ASP N N 33 126.924 128.143 -1.219 1
1 351 . 19 1 1 A 34 34 GLY H H 34 4.680 6.021 -1.341 1
1 352 . 19 1 1 A 34 34 GLY HA2 H 34 4.252 3.323 0.929 1
1 353 . 19 1 1 A 34 34 GLY HA3 H 34 3.023 3.687 -0.664 1
1 354 . 19 1 1 A 34 34 GLY C C 34 172.363 174.695 -2.332 1
1 355 . 19 1 1 A 34 34 GLY CA C 34 45.672 44.614 1.058 1
1 356 . 19 1 1 A 35 35 LEU H H 35 8.148 7.769 0.379 1
1 357 . 19 1 1 A 35 35 LEU HA H 35 4.623 4.210 0.413 1
1 367 . 19 1 1 A 35 35 LEU C C 35 177.783 176.526 1.257 1
1 368 . 19 1 1 A 35 35 LEU CA C 35 55.978 57.199 -1.221 1
1 369 . 19 1 1 A 35 35 LEU CB C 35 44.352 41.568 2.784 1
1 373 . 19 1 1 A 35 35 LEU N N 35 120.632 119.354 1.278 1
1 374 . 19 1 1 A 36 36 SER H H 36 9.064 7.772 1.292 1
1 375 . 19 1 1 A 36 36 SER HA H 36 5.059 5.097 -0.038 1
1 378 . 19 1 1 A 36 36 SER C C 36 173.878 172.349 1.529 1
1 379 . 19 1 1 A 36 36 SER CA C 36 57.667 57.867 -0.200 1
1 380 . 19 1 1 A 36 36 SER CB C 36 66.140 67.972 -1.832 1
1 381 . 19 1 1 A 36 36 SER N N 36 115.030 112.993 2.037 1
1 382 . 19 1 1 A 37 37 ILE H H 37 8.981 9.044 -0.063 1
1 383 . 19 1 1 A 37 37 ILE HA H 37 5.055 5.088 -0.033 1
1 393 . 19 1 1 A 37 37 ILE C C 37 174.995 174.652 0.343 1
1 394 . 19 1 1 A 37 37 ILE CA C 37 61.061 60.779 0.282 1
1 395 . 19 1 1 A 37 37 ILE CB C 37 39.355 39.423 -0.068 1
1 399 . 19 1 1 A 37 37 ILE N N 37 122.186 121.891 0.295 1
1 400 . 19 1 1 A 38 38 SER H H 38 9.422 8.832 0.590 1
1 401 . 19 1 1 A 38 38 SER HA H 38 5.297 4.841 0.456 1
1 404 . 19 1 1 A 38 38 SER C C 38 172.177 173.393 -1.216 1
1 405 . 19 1 1 A 38 38 SER CA C 38 56.910 57.749 -0.839 1
1 406 . 19 1 1 A 38 38 SER CB C 38 66.018 63.741 2.277 1
1 407 . 19 1 1 A 38 38 SER N N 38 122.548 125.301 -2.753 1
1 408 . 19 1 1 A 39 39 TYR H H 39 7.649 8.487 -0.838 1
1 409 . 19 1 1 A 39 39 TYR HA H 39 6.025 5.809 0.216 1
1 416 . 19 1 1 A 39 39 TYR C C 39 173.937 173.657 0.280 1
1 417 . 19 1 1 A 39 39 TYR CA C 39 54.144 54.864 -0.720 1
1 418 . 19 1 1 A 39 39 TYR CB C 39 41.722 42.136 -0.414 1
1 423 . 19 1 1 A 39 39 TYR N N 39 116.176 124.047 -7.871 1
1 424 . 19 1 1 A 40 40 TYR H H 40 9.647 9.111 0.536 1
1 425 . 19 1 1 A 40 40 TYR HA H 40 5.044 5.240 -0.196 1
1 432 . 19 1 1 A 40 40 TYR CA C 40 56.928 56.527 0.401 1
1 433 . 19 1 1 A 40 40 TYR CB C 40 43.678 43.155 0.523 1
1 438 . 19 1 1 A 40 40 TYR N N 40 118.964 118.939 0.025 1
1 439 . 19 1 1 A 41 41 ASN H H 41 7.712 8.941 -1.229 1
1 440 . 19 1 1 A 41 41 ASN HA H 41 4.867 5.445 -0.578 1
1 445 . 19 1 1 A 41 41 ASN CB C 41 39.279 40.973 -1.694 1
1 446 . 19 1 1 A 41 41 ASN N N 41 109.731 120.728 -10.997 1
1 448 . 19 1 1 A 42 42 ASN H H 42 9.215 9.367 -0.152 1
1 449 . 19 1 1 A 42 42 ASN HA H 42 4.868 4.596 0.272 1
1 452 . 19 1 1 A 42 42 ASN CA C 42 52.812 57.477 -4.665 1
1 453 . 19 1 1 A 42 42 ASN CB C 42 39.180 38.724 0.456 1
1 458 . 19 1 1 A 44 44 LYS CB C 44 35.364 33.159 2.205 1
1 460 . 19 1 1 A 46 46 MET H H 46 8.285 8.761 -0.476 1
1 461 . 19 1 1 A 46 46 MET HA H 46 4.218 4.777 -0.559 1
1 466 . 19 1 1 A 46 46 MET CA C 46 56.523 54.664 1.859 1
1 467 . 19 1 1 A 46 46 MET CB C 46 33.665 33.297 0.368 1
1 469 . 19 1 1 A 47 47 TYR H H 47 7.965 9.105 -1.140 1
1 470 . 19 1 1 A 47 47 TYR HA H 47 4.935 4.228 0.707 1
1 477 . 19 1 1 A 47 47 TYR CA C 47 55.861 61.372 -5.511 1
1 478 . 19 1 1 A 47 47 TYR CB C 47 38.476 37.613 0.863 1
1 483 . 19 1 1 A 47 47 TYR N N 47 117.521 122.189 -4.668 1
1 484 . 19 1 1 A 49 49 LYS H H 49 8.704 8.682 0.022 1
1 485 . 19 1 1 A 49 49 LYS HA H 49 4.369 5.098 -0.729 1
1 494 . 19 1 1 A 49 49 LYS CA C 49 54.891 54.476 0.415 1
1 495 . 19 1 1 A 49 49 LYS CB C 49 32.501 35.708 -3.207 1
1 499 . 19 1 1 A 50 50 GLY H H 50 6.985 8.289 -1.304 1
1 500 . 19 1 1 A 50 50 GLY HA2 H 50 3.825 3.916 -0.091 1
1 501 . 19 1 1 A 50 50 GLY HA3 H 50 3.265 4.106 -0.841 1
1 502 . 19 1 1 A 50 50 GLY C C 50 170.241 171.689 -1.448 1
1 503 . 19 1 1 A 50 50 GLY CA C 50 45.039 44.720 0.319 1
1 504 . 19 1 1 A 50 50 GLY N N 50 108.097 110.959 -2.862 1
1 505 . 19 1 1 A 51 51 ILE H H 51 7.890 8.945 -1.055 1
1 506 . 19 1 1 A 51 51 ILE HA H 51 4.777 4.827 -0.050 1
1 516 . 19 1 1 A 51 51 ILE C C 51 175.026 173.643 1.383 1
1 517 . 19 1 1 A 51 51 ILE CA C 51 60.217 58.739 1.478 1
1 518 . 19 1 1 A 51 51 ILE CB C 51 42.388 41.767 0.621 1
1 522 . 19 1 1 A 51 51 ILE N N 51 117.769 125.126 -7.357 1
1 523 . 19 1 1 A 52 52 ILE H H 52 9.485 9.138 0.347 1
1 524 . 19 1 1 A 52 52 ILE HA H 52 4.533 4.691 -0.158 1
1 534 . 19 1 1 A 52 52 ILE C C 52 173.526 174.794 -1.268 1
1 535 . 19 1 1 A 52 52 ILE CA C 52 57.983 57.885 0.098 1
1 536 . 19 1 1 A 52 52 ILE CB C 52 40.324 39.106 1.218 1
1 540 . 19 1 1 A 52 52 ILE N N 52 127.899 127.941 -0.042 1
1 541 . 19 1 1 A 53 53 PRO HA H 53 4.501 4.943 -0.442 1
1 548 . 19 1 1 A 53 53 PRO C C 53 177.663 178.149 -0.486 1
1 549 . 19 1 1 A 53 53 PRO CA C 53 62.838 62.828 0.010 1
1 550 . 19 1 1 A 53 53 PRO CB C 53 31.939 32.508 -0.569 1
1 553 . 19 1 1 A 54 54 LEU H H 54 8.647 8.613 0.034 1
1 554 . 19 1 1 A 54 54 LEU HA H 54 3.985 4.181 -0.196 1
1 564 . 19 1 1 A 54 54 LEU C C 54 178.940 177.826 1.114 1
1 565 . 19 1 1 A 54 54 LEU CA C 54 58.371 57.862 0.509 1
1 566 . 19 1 1 A 54 54 LEU CB C 54 42.388 41.459 0.929 1
1 570 . 19 1 1 A 54 54 LEU N N 54 124.847 126.902 -2.055 1
1 571 . 19 1 1 A 55 55 SER H H 55 8.278 8.175 0.103 1
1 572 . 19 1 1 A 55 55 SER HA H 55 4.169 4.071 0.098 1
1 575 . 19 1 1 A 55 55 SER C C 55 174.956 176.924 -1.968 1
1 576 . 19 1 1 A 55 55 SER CA C 55 59.971 61.657 -1.686 1
1 577 . 19 1 1 A 55 55 SER CB C 55 62.721 62.951 -0.230 1
1 578 . 19 1 1 A 55 55 SER N N 55 109.639 114.777 -5.138 1
1 579 . 19 1 1 A 56 56 ALA H H 56 7.796 8.151 -0.355 1
1 580 . 19 1 1 A 56 56 ALA HA H 56 4.545 4.161 0.384 1
1 584 . 19 1 1 A 56 56 ALA C C 56 177.505 178.717 -1.212 1
1 585 . 19 1 1 A 56 56 ALA CA C 56 52.022 55.406 -3.384 1
1 586 . 19 1 1 A 56 56 ALA CB C 56 20.240 18.435 1.805 1
1 587 . 19 1 1 A 56 56 ALA N N 56 123.057 121.919 1.138 1
1 588 . 19 1 1 A 57 57 ILE H H 57 7.664 7.299 0.365 1
1 589 . 19 1 1 A 57 57 ILE HA H 57 4.035 4.550 -0.515 1
1 599 . 19 1 1 A 57 57 ILE C C 57 175.285 176.266 -0.981 1
1 600 . 19 1 1 A 57 57 ILE CA C 57 62.697 62.231 0.466 1
1 601 . 19 1 1 A 57 57 ILE CB C 57 38.474 37.233 1.241 1
1 605 . 19 1 1 A 57 57 ILE N N 57 119.512 117.611 1.901 1
1 606 . 19 1 1 A 58 58 SER H H 58 9.364 8.941 0.423 1
1 607 . 19 1 1 A 58 58 SER HA H 58 4.526 4.425 0.101 1
1 610 . 19 1 1 A 58 58 SER C C 58 175.125 174.000 1.125 1
1 611 . 19 1 1 A 58 58 SER CA C 58 59.215 60.375 -1.160 1
1 612 . 19 1 1 A 58 58 SER CB C 58 63.590 63.802 -0.212 1
1 613 . 19 1 1 A 58 58 SER N N 58 122.513 124.446 -1.933 1
1 614 . 19 1 1 A 59 59 THR H H 59 7.502 7.479 0.023 1
1 615 . 19 1 1 A 59 59 THR HA H 59 4.355 4.612 -0.257 1
1 620 . 19 1 1 A 59 59 THR C C 59 170.784 171.689 -0.905 1
1 621 . 19 1 1 A 59 59 THR CA C 59 61.132 61.437 -0.305 1
1 622 . 19 1 1 A 59 59 THR CB C 59 68.686 71.282 -2.596 1
1 624 . 19 1 1 A 59 59 THR N N 59 112.470 112.526 -0.056 1
1 625 . 19 1 1 A 60 60 VAL H H 60 7.766 8.984 -1.218 1
1 626 . 19 1 1 A 60 60 VAL HA H 60 5.326 4.882 0.444 1
1 634 . 19 1 1 A 60 60 VAL C C 60 174.166 175.204 -1.038 1
1 635 . 19 1 1 A 60 60 VAL CA C 60 60.410 61.283 -0.873 1
1 636 . 19 1 1 A 60 60 VAL CB C 60 34.979 33.480 1.499 1
1 639 . 19 1 1 A 60 60 VAL N N 60 121.276 127.487 -6.211 1
1 640 . 19 1 1 A 61 61 ARG H H 61 8.941 9.014 -0.073 1
1 641 . 19 1 1 A 61 61 ARG HA H 61 5.053 5.056 -0.003 1
1 648 . 19 1 1 A 61 61 ARG C C 61 175.460 175.322 0.138 1
1 649 . 19 1 1 A 61 61 ARG CA C 61 54.166 54.353 -0.187 1
1 650 . 19 1 1 A 61 61 ARG CB C 61 34.000 33.542 0.458 1
1 653 . 19 1 1 A 61 61 ARG N N 61 121.101 123.361 -2.260 1
1 654 . 19 1 1 A 62 62 VAL H H 62 8.627 8.844 -0.217 1
1 655 . 19 1 1 A 62 62 VAL HA H 62 4.195 4.155 0.040 1
1 663 . 19 1 1 A 62 62 VAL C C 62 175.216 176.038 -0.822 1
1 664 . 19 1 1 A 62 62 VAL CA C 62 62.926 62.366 0.560 1
1 665 . 19 1 1 A 62 62 VAL CB C 62 33.459 32.380 1.079 1
1 668 . 19 1 1 A 62 62 VAL N N 62 118.451 121.738 -3.287 1
1 669 . 19 1 1 A 63 63 GLN H H 63 7.628 8.598 -0.970 1
1 670 . 19 1 1 A 63 63 GLN HA H 63 4.575 4.739 -0.164 1
1 677 . 19 1 1 A 63 63 GLN C C 63 174.418 177.656 -3.238 1
1 678 . 19 1 1 A 63 63 GLN CA C 63 55.451 53.969 1.482 1
1 679 . 19 1 1 A 63 63 GLN CB C 63 32.062 31.590 0.472 1
1 681 . 19 1 1 A 63 63 GLN N N 63 123.160 123.296 -0.136 1
1 683 . 19 1 1 A 64 64 GLY H H 64 8.678 8.609 0.069 1
1 684 . 19 1 1 A 64 64 GLY HA2 H 64 4.025 3.783 0.242 1
1 685 . 19 1 1 A 64 64 GLY HA3 H 64 3.895 3.783 0.112 1
1 686 . 19 1 1 A 64 64 GLY C C 64 174.592 174.049 0.543 1
1 687 . 19 1 1 A 64 64 GLY CA C 64 45.531 47.565 -2.034 1
1 688 . 19 1 1 A 64 64 GLY N N 64 112.406 110.125 2.281 1
1 689 . 19 1 1 A 65 65 ASP HA H 65 4.625 5.057 -0.432 1
1 692 . 19 1 1 A 65 65 ASP C C 65 176.902 175.414 1.488 1
1 693 . 19 1 1 A 65 65 ASP CA C 65 55.486 52.536 2.950 1
1 694 . 19 1 1 A 65 65 ASP CB C 65 40.817 43.741 -2.924 1
1 695 . 19 1 1 A 66 66 ASN H H 66 7.979 8.754 -0.775 1
1 696 . 19 1 1 A 66 66 ASN HA H 66 4.554 4.279 0.275 1
1 701 . 19 1 1 A 66 66 ASN C C 66 174.456 173.989 0.467 1
1 702 . 19 1 1 A 66 66 ASN CA C 66 52.795 54.272 -1.477 1
1 703 . 19 1 1 A 66 66 ASN CB C 66 37.981 37.164 0.817 1
1 704 . 19 1 1 A 66 66 ASN N N 66 112.071 115.981 -3.910 1
1 706 . 19 1 1 A 67 67 LYS H H 67 7.476 7.549 -0.073 1
1 707 . 19 1 1 A 67 67 LYS HA H 67 5.914 5.250 0.664 1
1 716 . 19 1 1 A 67 67 LYS C C 67 177.922 175.605 2.317 1
1 717 . 19 1 1 A 67 67 LYS CA C 67 54.906 54.536 0.370 1
1 718 . 19 1 1 A 67 67 LYS CB C 67 36.707 37.127 -0.420 1
1 722 . 19 1 1 A 67 67 LYS N N 67 115.613 116.755 -1.142 1
1 723 . 19 1 1 A 68 68 PHE H H 68 9.227 8.446 0.781 1
1 724 . 19 1 1 A 68 68 PHE HA H 68 5.296 5.011 0.285 1
1 732 . 19 1 1 A 68 68 PHE C C 68 171.230 171.997 -0.767 1
1 733 . 19 1 1 A 68 68 PHE CA C 68 56.576 56.875 -0.299 1
1 734 . 19 1 1 A 68 68 PHE CB C 68 42.790 41.016 1.774 1
1 740 . 19 1 1 A 68 68 PHE N N 68 117.009 116.999 0.010 1
1 741 . 19 1 1 A 69 69 GLU H H 69 9.527 9.204 0.323 1
1 742 . 19 1 1 A 69 69 GLU HA H 69 5.434 4.975 0.459 1
1 747 . 19 1 1 A 69 69 GLU C C 69 175.659 175.657 0.002 1
1 748 . 19 1 1 A 69 69 GLU CA C 69 53.429 54.998 -1.569 1
1 749 . 19 1 1 A 69 69 GLU CB C 69 33.460 32.870 0.590 1
1 751 . 19 1 1 A 69 69 GLU N N 69 119.470 120.254 -0.784 1
1 752 . 19 1 1 A 70 70 VAL H H 70 9.486 9.122 0.364 1
1 753 . 19 1 1 A 70 70 VAL HA H 70 4.486 4.563 -0.077 1
1 761 . 19 1 1 A 70 70 VAL C C 70 174.403 175.441 -1.038 1
1 762 . 19 1 1 A 70 70 VAL CA C 70 62.240 61.627 0.613 1
1 763 . 19 1 1 A 70 70 VAL CB C 70 33.706 32.239 1.467 1
1 766 . 19 1 1 A 70 70 VAL N N 70 123.935 126.526 -2.591 1
1 767 . 19 1 1 A 71 71 VAL H H 71 8.658 8.449 0.209 1
1 768 . 19 1 1 A 71 71 VAL HA H 71 4.345 4.148 0.197 1
1 776 . 19 1 1 A 71 71 VAL C C 71 175.524 175.762 -0.238 1
1 777 . 19 1 1 A 71 71 VAL CA C 71 63.365 63.243 0.122 1
1 778 . 19 1 1 A 71 71 VAL CB C 71 32.802 31.558 1.244 1
1 781 . 19 1 1 A 71 71 VAL N N 71 129.195 128.498 0.697 1
1 782 . 19 1 1 A 72 72 THR H H 72 8.134 8.058 0.076 1
1 783 . 19 1 1 A 72 72 THR HA H 72 5.515 5.388 0.127 1
1 788 . 19 1 1 A 72 72 THR C C 72 174.609 175.425 -0.816 1
1 789 . 19 1 1 A 72 72 THR CA C 72 59.496 59.193 0.303 1
1 790 . 19 1 1 A 72 72 THR CB C 72 72.139 72.089 0.050 1
1 792 . 19 1 1 A 72 72 THR N N 72 117.639 117.254 0.385 1
1 793 . 19 1 1 A 73 73 THR H H 73 8.944 9.172 -0.228 1
1 794 . 19 1 1 A 73 73 THR HA H 73 3.966 3.889 0.077 1
1 799 . 19 1 1 A 73 73 THR C C 73 175.783 176.052 -0.269 1
1 800 . 19 1 1 A 73 73 THR CA C 73 65.880 66.786 -0.906 1
1 801 . 19 1 1 A 73 73 THR CB C 73 68.604 68.836 -0.232 1
1 803 . 19 1 1 A 73 73 THR N N 73 114.027 118.301 -4.274 1
1 804 . 19 1 1 A 74 74 GLN H H 74 7.997 7.919 0.078 1
1 805 . 19 1 1 A 74 74 GLN HA H 74 4.350 4.196 0.154 1
1 812 . 19 1 1 A 74 74 GLN C C 74 175.698 176.096 -0.398 1
1 813 . 19 1 1 A 74 74 GLN CA C 74 56.910 58.356 -1.446 1
1 814 . 19 1 1 A 74 74 GLN CB C 74 30.624 29.282 1.342 1
1 816 . 19 1 1 A 74 74 GLN N N 74 115.670 118.305 -2.635 1
1 818 . 19 1 1 A 75 75 ARG H H 75 7.366 6.978 0.388 1
1 819 . 19 1 1 A 75 75 ARG HA H 75 4.395 4.474 -0.079 1
1 826 . 19 1 1 A 75 75 ARG C C 75 174.546 174.465 0.081 1
1 827 . 19 1 1 A 75 75 ARG CA C 75 55.802 54.870 0.932 1
1 828 . 19 1 1 A 75 75 ARG CB C 75 32.514 33.056 -0.542 1
1 831 . 19 1 1 A 75 75 ARG N N 75 115.650 113.110 2.540 1
1 832 . 19 1 1 A 76 76 THR H H 76 8.679 8.494 0.185 1
1 833 . 19 1 1 A 76 76 THR HA H 76 5.065 4.033 1.032 1
1 838 . 19 1 1 A 76 76 THR C C 76 173.239 174.051 -0.812 1
1 839 . 19 1 1 A 76 76 THR CA C 76 61.888 63.709 -1.821 1
1 840 . 19 1 1 A 76 76 THR CB C 76 69.878 69.450 0.428 1
1 842 . 19 1 1 A 76 76 THR N N 76 120.285 118.835 1.450 1
1 843 . 19 1 1 A 77 77 PHE H H 77 9.156 8.956 0.200 1
1 844 . 19 1 1 A 77 77 PHE HA H 77 4.385 4.933 -0.548 1
1 852 . 19 1 1 A 77 77 PHE C C 77 174.028 174.746 -0.718 1
1 853 . 19 1 1 A 77 77 PHE CA C 77 56.822 56.265 0.557 1
1 854 . 19 1 1 A 77 77 PHE CB C 77 41.640 42.432 -0.792 1
1 860 . 19 1 1 A 77 77 PHE N N 77 127.212 124.413 2.799 1
1 861 . 19 1 1 A 78 78 VAL H H 78 8.374 8.575 -0.201 1
1 862 . 19 1 1 A 78 78 VAL HA H 78 4.506 4.571 -0.065 1
1 870 . 19 1 1 A 78 78 VAL C C 78 173.264 174.749 -1.485 1
1 871 . 19 1 1 A 78 78 VAL CA C 78 61.730 61.485 0.245 1
1 872 . 19 1 1 A 78 78 VAL CB C 78 33.254 32.387 0.867 1
1 875 . 19 1 1 A 78 78 VAL N N 78 123.393 123.008 0.385 1
1 876 . 19 1 1 A 79 79 PHE H H 79 8.458 8.442 0.016 1
1 877 . 19 1 1 A 79 79 PHE HA H 79 5.403 4.962 0.441 1
1 885 . 19 1 1 A 79 79 PHE C C 79 173.855 173.892 -0.037 1
1 886 . 19 1 1 A 79 79 PHE CA C 79 55.151 55.677 -0.526 1
1 887 . 19 1 1 A 79 79 PHE CB C 79 42.913 43.391 -0.478 1
1 893 . 19 1 1 A 79 79 PHE N N 79 123.801 125.732 -1.931 1
1 894 . 19 1 1 A 80 80 ARG H H 80 9.407 8.806 0.601 1
1 895 . 19 1 1 A 80 80 ARG HA H 80 5.134 4.990 0.144 1
1 902 . 19 1 1 A 80 80 ARG C C 80 174.634 175.515 -0.881 1
1 903 . 19 1 1 A 80 80 ARG CA C 80 54.431 54.703 -0.272 1
1 904 . 19 1 1 A 80 80 ARG CB C 80 35.227 33.918 1.309 1
1 907 . 19 1 1 A 80 80 ARG N N 80 121.570 121.329 0.241 1
1 908 . 19 1 1 A 81 81 VAL H H 81 8.544 8.525 0.019 1
1 909 . 19 1 1 A 81 81 VAL HA H 81 4.708 4.785 -0.077 1
1 917 . 19 1 1 A 81 81 VAL C C 81 175.050 175.794 -0.744 1
1 918 . 19 1 1 A 81 81 VAL CA C 81 59.602 59.832 -0.230 1
1 919 . 19 1 1 A 81 81 VAL CB C 81 33.706 34.703 -0.997 1
1 922 . 19 1 1 A 81 81 VAL N N 81 122.128 123.151 -1.023 1
1 923 . 19 1 1 A 82 82 GLU H H 82 8.549 9.182 -0.633 1
1 924 . 19 1 1 A 82 82 GLU HA H 82 4.132 4.403 -0.271 1
1 929 . 19 1 1 A 82 82 GLU C C 82 176.909 175.667 1.242 1
1 930 . 19 1 1 A 82 82 GLU CA C 82 58.973 57.489 1.484 1
1 931 . 19 1 1 A 82 82 GLU CB C 82 30.582 31.403 -0.821 1
1 933 . 19 1 1 A 82 82 GLU N N 82 121.776 122.007 -0.231 1
1 934 . 19 1 1 A 83 83 LYS H H 83 7.618 7.651 -0.033 1
1 935 . 19 1 1 A 83 83 LYS HA H 83 4.708 4.702 0.006 1
1 944 . 19 1 1 A 83 83 LYS C C 83 176.665 176.547 0.118 1
1 945 . 19 1 1 A 83 83 LYS CA C 83 54.694 54.751 -0.057 1
1 946 . 19 1 1 A 83 83 LYS CB C 83 34.775 35.841 -1.066 1
1 950 . 19 1 1 A 83 83 LYS N N 83 115.778 117.236 -1.458 1
1 951 . 19 1 1 A 84 84 GLU H H 84 9.150 8.973 0.177 1
1 952 . 19 1 1 A 84 84 GLU HA H 84 3.953 3.911 0.042 1
1 957 . 19 1 1 A 84 84 GLU C C 84 178.243 178.159 0.084 1
1 958 . 19 1 1 A 84 84 GLU CA C 84 60.217 60.334 -0.117 1
1 959 . 19 1 1 A 84 84 GLU CB C 84 29.843 29.532 0.311 1
1 961 . 19 1 1 A 84 84 GLU N N 84 127.798 124.219 3.579 1
1 962 . 19 1 1 A 85 85 GLU H H 85 9.626 8.419 1.207 1
1 963 . 19 1 1 A 85 85 GLU HA H 85 4.100 4.021 0.079 1
1 968 . 19 1 1 A 85 85 GLU C C 85 178.948 179.099 -0.151 1
1 969 . 19 1 1 A 85 85 GLU CA C 85 59.847 59.413 0.434 1
1 970 . 19 1 1 A 85 85 GLU CB C 85 28.897 29.242 -0.345 1
1 972 . 19 1 1 A 85 85 GLU N N 85 117.844 118.093 -0.249 1
1 973 . 19 1 1 A 86 86 GLU H H 86 7.257 8.413 -1.156 1
1 974 . 19 1 1 A 86 86 GLU HA H 86 4.365 4.034 0.331 1
1 979 . 19 1 1 A 86 86 GLU C C 86 178.607 179.109 -0.502 1
1 980 . 19 1 1 A 86 86 GLU CA C 86 58.089 59.192 -1.103 1
1 981 . 19 1 1 A 86 86 GLU CB C 86 30.212 29.266 0.946 1
1 983 . 19 1 1 A 86 86 GLU N N 86 118.075 120.509 -2.434 1
1 984 . 19 1 1 A 87 87 ARG H H 87 7.919 7.718 0.201 1
1 985 . 19 1 1 A 87 87 ARG HA H 87 3.838 4.036 -0.198 1
1 992 . 19 1 1 A 87 87 ARG C C 87 177.977 178.794 -0.817 1
1 993 . 19 1 1 A 87 87 ARG CA C 87 60.815 59.249 1.566 1
1 994 . 19 1 1 A 87 87 ARG CB C 87 28.856 29.913 -1.057 1
1 997 . 19 1 1 A 87 87 ARG N N 87 121.287 120.827 0.460 1
1 998 . 19 1 1 A 88 88 ASN H H 88 8.421 7.671 0.750 1
1 999 . 19 1 1 A 88 88 ASN HA H 88 4.295 4.560 -0.265 1
1 1004 . 19 1 1 A 88 88 ASN C C 88 177.423 177.293 0.130 1
1 1005 . 19 1 1 A 88 88 ASN CA C 88 55.627 55.704 -0.077 1
1 1006 . 19 1 1 A 88 88 ASN CB C 88 37.136 38.739 -1.603 1
1 1007 . 19 1 1 A 88 88 ASN N N 88 116.926 117.811 -0.885 1
1 1009 . 19 1 1 A 89 89 ASP H H 89 7.790 8.623 -0.833 1
1 1010 . 19 1 1 A 89 89 ASP HA H 89 4.389 4.225 0.164 1
1 1013 . 19 1 1 A 89 89 ASP C C 89 177.683 178.312 -0.629 1
1 1014 . 19 1 1 A 89 89 ASP CA C 89 57.737 57.200 0.537 1
1 1015 . 19 1 1 A 89 89 ASP CB C 89 41.352 41.030 0.322 1
1 1016 . 19 1 1 A 89 89 ASP N N 89 121.867 118.779 3.088 1
1 1017 . 19 1 1 A 90 90 TRP H H 90 7.690 8.333 -0.643 1
1 1018 . 19 1 1 A 90 90 TRP HA H 90 3.666 4.168 -0.502 1
1 1027 . 19 1 1 A 90 90 TRP C C 90 177.880 178.601 -0.721 1
1 1028 . 19 1 1 A 90 90 TRP CA C 90 61.704 59.634 2.070 1
1 1029 . 19 1 1 A 90 90 TRP CB C 90 29.594 29.118 0.476 1
1 1035 . 19 1 1 A 90 90 TRP N N 90 117.617 119.497 -1.880 1
1 1037 . 19 1 1 A 91 91 ILE H H 91 7.654 7.687 -0.033 1
1 1038 . 19 1 1 A 91 91 ILE HA H 91 3.275 3.617 -0.342 1
1 1048 . 19 1 1 A 91 91 ILE C C 91 177.138 177.875 -0.737 1
1 1049 . 19 1 1 A 91 91 ILE CA C 91 65.001 65.375 -0.374 1
1 1050 . 19 1 1 A 91 91 ILE CB C 91 36.913 37.631 -0.718 1
1 1054 . 19 1 1 A 91 91 ILE N N 91 114.248 120.414 -6.166 1
1 1055 . 19 1 1 A 92 92 SER H H 92 8.055 8.083 -0.028 1
1 1056 . 19 1 1 A 92 92 SER HA H 92 4.045 4.099 -0.054 1
1 1059 . 19 1 1 A 92 92 SER C C 92 177.204 177.010 0.194 1
1 1060 . 19 1 1 A 92 92 SER CA C 92 61.923 61.756 0.167 1
1 1061 . 19 1 1 A 92 92 SER CB C 92 62.767 63.007 -0.240 1
1 1062 . 19 1 1 A 92 92 SER N N 92 114.018 114.859 -0.841 1
1 1063 . 19 1 1 A 93 93 ILE H H 93 7.926 8.030 -0.104 1
1 1064 . 19 1 1 A 93 93 ILE HA H 93 3.795 3.668 0.127 1
1 1074 . 19 1 1 A 93 93 ILE C C 93 178.947 177.985 0.962 1
1 1075 . 19 1 1 A 93 93 ILE CA C 93 64.825 65.361 -0.536 1
1 1076 . 19 1 1 A 93 93 ILE CB C 93 37.693 37.810 -0.117 1
1 1080 . 19 1 1 A 93 93 ILE N N 93 120.974 120.745 0.229 1
1 1081 . 19 1 1 A 94 94 LEU H H 94 7.678 7.932 -0.254 1
1 1082 . 19 1 1 A 94 94 LEU HA H 94 3.634 3.731 -0.097 1
1 1092 . 19 1 1 A 94 94 LEU C C 94 178.551 178.931 -0.380 1
1 1093 . 19 1 1 A 94 94 LEU CA C 94 57.861 57.929 -0.068 1
1 1094 . 19 1 1 A 94 94 LEU CB C 94 42.356 41.752 0.604 1
1 1098 . 19 1 1 A 94 94 LEU N N 94 121.223 119.587 1.636 1
1 1099 . 19 1 1 A 95 95 LEU H H 95 8.954 8.114 0.840 1
1 1100 . 19 1 1 A 95 95 LEU HA H 95 4.037 3.828 0.209 1
1 1110 . 19 1 1 A 95 95 LEU C C 95 180.858 179.048 1.810 1
1 1111 . 19 1 1 A 95 95 LEU CA C 95 58.194 58.119 0.075 1
1 1112 . 19 1 1 A 95 95 LEU CB C 95 41.286 41.512 -0.226 1
1 1116 . 19 1 1 A 95 95 LEU N N 95 118.177 118.133 0.044 1
1 1117 . 19 1 1 A 96 96 ASN H H 96 8.235 8.582 -0.347 1
1 1118 . 19 1 1 A 96 96 ASN HA H 96 4.445 4.395 0.050 1
1 1123 . 19 1 1 A 96 96 ASN C C 96 177.901 177.429 0.472 1
1 1124 . 19 1 1 A 96 96 ASN CA C 96 56.347 56.996 -0.649 1
1 1125 . 19 1 1 A 96 96 ASN CB C 96 38.105 39.796 -1.691 1
1 1126 . 19 1 1 A 96 96 ASN N N 96 117.502 117.093 0.409 1
1 1128 . 19 1 1 A 97 97 ALA H H 97 7.756 7.912 -0.156 1
1 1129 . 19 1 1 A 97 97 ALA HA H 97 4.305 4.188 0.117 1
1 1133 . 19 1 1 A 97 97 ALA C C 97 180.315 179.858 0.457 1
1 1134 . 19 1 1 A 97 97 ALA CA C 97 54.906 55.270 -0.364 1
1 1135 . 19 1 1 A 97 97 ALA CB C 97 19.214 18.792 0.422 1
1 1136 . 19 1 1 A 97 97 ALA N N 97 123.457 122.004 1.453 1
1 1137 . 19 1 1 A 98 98 LEU H H 98 8.335 8.230 0.105 1
1 1138 . 19 1 1 A 98 98 LEU HA H 98 4.055 3.947 0.108 1
1 1148 . 19 1 1 A 98 98 LEU C C 98 179.542 179.271 0.271 1
1 1149 . 19 1 1 A 98 98 LEU CA C 98 57.578 58.116 -0.538 1
1 1150 . 19 1 1 A 98 98 LEU CB C 98 42.174 41.572 0.602 1
1 1154 . 19 1 1 A 98 98 LEU N N 98 119.610 118.172 1.438 1
1 1155 . 19 1 1 A 99 99 LYS H H 99 7.969 7.779 0.190 1
1 1156 . 19 1 1 A 99 99 LYS HA H 99 4.203 3.933 0.270 1
1 1165 . 19 1 1 A 99 99 LYS C C 99 178.392 178.726 -0.334 1
1 1166 . 19 1 1 A 99 99 LYS CA C 99 58.563 60.135 -1.572 1
1 1167 . 19 1 1 A 99 99 LYS CB C 99 32.267 32.314 -0.047 1
1 1171 . 19 1 1 A 99 99 LYS N N 99 119.323 117.820 1.503 1
1 1172 . 19 1 1 A 100 100 SER H H 100 7.854 8.019 -0.165 1
1 1173 . 19 1 1 A 100 100 SER HA H 100 4.404 4.064 0.340 1
1 1176 . 19 1 1 A 100 100 SER C C 100 175.449 177.158 -1.709 1
1 1177 . 19 1 1 A 100 100 SER CA C 100 60.076 61.638 -1.562 1
1 1178 . 19 1 1 A 100 100 SER CB C 100 63.600 62.994 0.606 1
1 1179 . 19 1 1 A 100 100 SER N N 100 114.116 114.317 -0.201 1
1 1180 . 19 1 1 A 101 101 GLN H H 101 7.863 7.883 -0.020 1
1 1181 . 19 1 1 A 101 101 GLN HA H 101 4.294 4.045 0.249 1
1 1188 . 19 1 1 A 101 101 GLN C C 101 176.613 178.169 -1.556 1
1 1189 . 19 1 1 A 101 101 GLN CA C 101 57.121 58.965 -1.844 1
1 1190 . 19 1 1 A 101 101 GLN CB C 101 29.761 28.429 1.332 1
1 1192 . 19 1 1 A 101 101 GLN N N 101 120.923 121.817 -0.894 1
1 1194 . 19 1 1 A 102 102 SER H H 102 8.170 7.637 0.533 1
1 1195 . 19 1 1 A 102 102 SER HA H 102 4.445 4.129 0.316 1
1 1198 . 19 1 1 A 102 102 SER C C 102 175.030 174.264 0.766 1
1 1199 . 19 1 1 A 102 102 SER CA C 102 59.162 61.710 -2.548 1
1 1200 . 19 1 1 A 102 102 SER CB C 102 63.466 62.996 0.470 1
1 1201 . 19 1 1 A 102 102 SER N N 102 115.689 115.330 0.359 1
1 1202 . 19 1 1 A 103 103 LEU H H 103 8.111 7.519 0.592 1
1 1203 . 19 1 1 A 103 103 LEU HA H 103 4.400 3.934 0.466 1
1 1213 . 19 1 1 A 103 103 LEU C C 103 178.263 176.409 1.854 1
1 1214 . 19 1 1 A 103 103 LEU CA C 103 55.908 56.041 -0.133 1
1 1215 . 19 1 1 A 103 103 LEU CB C 103 42.215 39.879 2.336 1
1 1219 . 19 1 1 A 103 103 LEU N N 103 123.252 119.959 3.293 1
1 1220 . 19 1 1 A 104 104 THR H H 104 8.064 7.734 0.330 1
1 1221 . 19 1 1 A 104 104 THR HA H 104 4.354 3.811 0.543 1
1 1226 . 19 1 1 A 104 104 THR C C 104 175.092 175.244 -0.152 1
1 1227 . 19 1 1 A 104 104 THR CA C 104 62.368 66.623 -4.255 1
1 1228 . 19 1 1 A 104 104 THR CB C 104 69.673 68.502 1.171 1
1 1230 . 19 1 1 A 104 104 THR N N 104 113.441 113.605 -0.164 1
1 1231 . 19 1 1 A 105 105 SER H H 105 8.231 7.682 0.549 1
1 1232 . 19 1 1 A 105 105 SER C C 105 177.959 174.412 3.547 1
1 1233 . 19 1 1 A 105 105 SER CA C 105 58.406 59.224 -0.818 1
1 1234 . 19 1 1 A 105 105 SER CB C 105 63.507 63.355 0.152 1
1 1235 . 19 1 1 A 105 105 SER N N 105 117.638 114.141 3.497 1
1 1236 . 19 1 1 A 106 106 GLN HA H 106 4.365 4.248 0.117 1
1 1239 . 19 1 1 A 106 106 GLN C C 106 176.322 176.236 0.086 1
1 1240 . 19 1 1 A 106 106 GLN CA C 106 56.189 56.818 -0.629 1
1 1241 . 19 1 1 A 106 106 GLN CB C 106 29.226 28.948 0.278 1
1 1243 . 19 1 1 A 107 107 SER H H 107 8.287 8.991 -0.704 1
1 1244 . 19 1 1 A 107 107 SER HA H 107 4.404 4.941 -0.537 1
1 1246 . 19 1 1 A 107 107 SER C C 107 174.687 173.280 1.407 1
1 1247 . 19 1 1 A 107 107 SER CA C 107 58.722 57.721 1.001 1
1 1248 . 19 1 1 A 107 107 SER CB C 107 63.713 66.385 -2.672 1
1 1249 . 19 1 1 A 107 107 SER N N 107 116.578 119.693 -3.115 1
1 1250 . 19 1 1 A 108 108 GLN H H 108 8.354 8.520 -0.166 1
1 1251 . 19 1 1 A 108 108 GLN HA H 108 4.349 4.367 -0.018 1
1 1258 . 19 1 1 A 108 108 GLN C C 108 175.798 175.876 -0.078 1
1 1259 . 19 1 1 A 108 108 GLN CA C 108 55.820 56.969 -1.149 1
1 1260 . 19 1 1 A 108 108 GLN CB C 108 29.432 29.144 0.288 1
1 1262 . 19 1 1 A 108 108 GLN N N 108 122.015 124.997 -2.982 1
1 1264 . 19 1 1 A 109 109 ALA H H 109 8.301 8.702 -0.401 1
1 1265 . 19 1 1 A 109 109 ALA HA H 109 4.345 5.008 -0.663 1
1 1269 . 19 1 1 A 109 109 ALA C C 109 177.749 175.383 2.366 1
1 1270 . 19 1 1 A 109 109 ALA CA C 109 52.672 51.219 1.453 1
1 1271 . 19 1 1 A 109 109 ALA CB C 109 19.237 23.782 -4.545 1
1 1272 . 19 1 1 A 109 109 ALA N N 109 125.243 124.579 0.664 1
1 1273 . 19 1 1 A 110 110 SER H H 110 8.290 8.876 -0.586 1
1 1274 . 19 1 1 A 110 110 SER HA H 110 4.459 5.181 -0.722 1
1 1277 . 19 1 1 A 110 110 SER C C 110 174.593 173.985 0.608 1
1 1278 . 19 1 1 A 110 110 SER CA C 110 58.248 56.740 1.508 1
1 1279 . 19 1 1 A 110 110 SER CB C 110 63.918 66.698 -2.780 1
1 1280 . 19 1 1 A 110 110 SER N N 110 115.148 114.404 0.744 1
1 1281 . 19 1 1 A 111 111 GLY H H 111 8.199 8.524 -0.325 1
1 1282 . 19 1 1 A 111 111 GLY HA2 H 111 4.167 4.060 0.107 1
1 1283 . 19 1 1 A 111 111 GLY HA3 H 111 4.094 4.061 0.033 1
1 1284 . 19 1 1 A 111 111 GLY C C 111 171.782 174.435 -2.653 1
1 1285 . 19 1 1 A 111 111 GLY CA C 111 44.652 46.204 -1.552 1
1 1286 . 19 1 1 A 111 111 GLY N N 111 110.586 113.812 -3.226 1
1 1287 . 19 1 1 A 112 112 PRO HA H 112 4.471 4.662 -0.191 1
1 1294 . 19 1 1 A 112 112 PRO CA C 112 63.154 62.460 0.694 1
1 1295 . 19 1 1 A 112 112 PRO CB C 112 32.314 33.254 -0.940 1
1 1 . 20 1 1 A 7 7 GLY H H 7 9.055 8.805 0.250 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.908 4.041 -0.133 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 3.968 4.057 -0.089 1
1 4 . 20 1 1 A 7 7 GLY C C 7 173.671 174.963 -1.292 1
1 5 . 20 1 1 A 7 7 GLY CA C 7 45.421 44.965 0.456 1
1 6 . 20 1 1 A 8 8 LYS H H 8 8.145 8.427 -0.282 1
1 7 . 20 1 1 A 8 8 LYS HA H 8 4.345 4.372 -0.027 1
1 16 . 20 1 1 A 8 8 LYS C C 8 175.255 176.063 -0.808 1
1 17 . 20 1 1 A 8 8 LYS CA C 8 56.330 56.411 -0.081 1
1 18 . 20 1 1 A 8 8 LYS CB C 8 33.583 33.011 0.572 1
1 22 . 20 1 1 A 8 8 LYS N N 8 120.101 121.483 -1.382 1
1 23 . 20 1 1 A 9 9 VAL H H 9 7.579 7.467 0.112 1
1 24 . 20 1 1 A 9 9 VAL HA H 9 4.473 4.988 -0.515 1
1 32 . 20 1 1 A 9 9 VAL C C 9 174.860 174.328 0.532 1
1 33 . 20 1 1 A 9 9 VAL CA C 9 59.989 58.739 1.250 1
1 34 . 20 1 1 A 9 9 VAL CB C 9 34.218 36.530 -2.312 1
1 37 . 20 1 1 A 9 9 VAL N N 9 114.437 114.976 -0.539 1
1 38 . 20 1 1 A 10 10 LYS H H 10 8.236 8.617 -0.381 1
1 39 . 20 1 1 A 10 10 LYS HA H 10 4.345 4.545 -0.200 1
1 48 . 20 1 1 A 10 10 LYS C C 10 172.963 174.277 -1.314 1
1 49 . 20 1 1 A 10 10 LYS CA C 10 56.096 55.725 0.371 1
1 50 . 20 1 1 A 10 10 LYS CB C 10 36.131 35.815 0.316 1
1 54 . 20 1 1 A 10 10 LYS N N 10 122.938 121.938 1.000 1
1 55 . 20 1 1 A 11 11 SER H H 11 8.168 8.667 -0.499 1
1 56 . 20 1 1 A 11 11 SER HA H 11 5.669 5.123 0.546 1
1 59 . 20 1 1 A 11 11 SER C C 11 173.281 172.979 0.302 1
1 60 . 20 1 1 A 11 11 SER CA C 11 55.960 56.566 -0.606 1
1 61 . 20 1 1 A 11 11 SER CB C 11 66.326 66.415 -0.089 1
1 62 . 20 1 1 A 11 11 SER N N 11 119.068 118.566 0.502 1
1 63 . 20 1 1 A 12 12 GLY H H 12 8.248 7.550 0.698 1
1 64 . 20 1 1 A 12 12 GLY HA2 H 12 4.168 3.869 0.299 1
1 65 . 20 1 1 A 12 12 GLY HA3 H 12 3.478 4.140 -0.662 1
1 66 . 20 1 1 A 12 12 GLY C C 12 170.778 171.665 -0.887 1
1 67 . 20 1 1 A 12 12 GLY CA C 12 45.654 45.321 0.333 1
1 68 . 20 1 1 A 12 12 GLY N N 12 108.756 106.843 1.913 1
1 69 . 20 1 1 A 13 13 TRP H H 13 8.622 8.579 0.043 1
1 70 . 20 1 1 A 13 13 TRP HA H 13 5.398 4.814 0.584 1
1 79 . 20 1 1 A 13 13 TRP C C 13 177.511 176.038 1.473 1
1 80 . 20 1 1 A 13 13 TRP CA C 13 57.069 58.260 -1.191 1
1 81 . 20 1 1 A 13 13 TRP CB C 13 30.295 29.300 0.995 1
1 87 . 20 1 1 A 13 13 TRP N N 13 119.518 121.403 -1.885 1
1 89 . 20 1 1 A 14 14 LEU H H 14 9.524 9.107 0.417 1
1 90 . 20 1 1 A 14 14 LEU HA H 14 4.791 5.121 -0.330 1
1 100 . 20 1 1 A 14 14 LEU C C 14 175.381 175.425 -0.044 1
1 101 . 20 1 1 A 14 14 LEU CA C 14 54.096 53.223 0.873 1
1 102 . 20 1 1 A 14 14 LEU CB C 14 47.682 44.718 2.964 1
1 106 . 20 1 1 A 14 14 LEU N N 14 124.165 125.707 -1.542 1
1 107 . 20 1 1 A 15 15 ASP H H 15 8.335 8.204 0.131 1
1 108 . 20 1 1 A 15 15 ASP HA H 15 5.424 5.533 -0.109 1
1 111 . 20 1 1 A 15 15 ASP C C 15 175.302 174.734 0.568 1
1 112 . 20 1 1 A 15 15 ASP CA C 15 53.252 53.515 -0.263 1
1 113 . 20 1 1 A 15 15 ASP CB C 15 42.420 42.183 0.237 1
1 114 . 20 1 1 A 15 15 ASP N N 15 120.275 122.159 -1.884 1
1 115 . 20 1 1 A 16 16 LYS H H 16 9.444 8.928 0.516 1
1 116 . 20 1 1 A 16 16 LYS HA H 16 4.781 5.029 -0.248 1
1 125 . 20 1 1 A 16 16 LYS C C 16 176.244 174.065 2.179 1
1 126 . 20 1 1 A 16 16 LYS CA C 16 54.782 54.648 0.134 1
1 127 . 20 1 1 A 16 16 LYS CB C 16 36.666 35.823 0.843 1
1 131 . 20 1 1 A 16 16 LYS N N 16 125.854 125.247 0.607 1
1 132 . 20 1 1 A 17 17 LEU H H 17 8.387 8.070 0.317 1
1 133 . 20 1 1 A 17 17 LEU HA H 17 3.476 4.287 -0.811 1
1 143 . 20 1 1 A 17 17 LEU C C 17 175.840 176.395 -0.555 1
1 144 . 20 1 1 A 17 17 LEU CA C 17 55.715 53.531 2.184 1
1 145 . 20 1 1 A 17 17 LEU CB C 17 41.986 42.254 -0.268 1
1 149 . 20 1 1 A 17 17 LEU N N 17 130.736 125.942 4.794 1
1 150 . 20 1 1 A 18 18 SER H H 18 8.378 8.644 -0.266 1
1 151 . 20 1 1 A 18 18 SER HA H 18 4.563 4.278 0.285 1
1 154 . 20 1 1 A 18 18 SER C C 18 172.291 174.172 -1.881 1
1 155 . 20 1 1 A 18 18 SER CA C 18 55.697 62.727 -7.030 1
1 156 . 20 1 1 A 18 18 SER CB C 18 62.885 62.018 0.867 1
1 157 . 20 1 1 A 18 18 SER N N 18 123.037 121.503 1.534 1
1 158 . 20 1 1 A 19 19 PRO HA H 19 4.414 4.666 -0.252 1
1 165 . 20 1 1 A 19 19 PRO CA C 19 63.946 62.288 1.658 1
1 166 . 20 1 1 A 19 19 PRO CB C 19 32.128 32.804 -0.676 1
1 169 . 20 1 1 A 20 20 GLN H H 20 8.085 8.440 -0.355 1
1 170 . 20 1 1 A 20 20 GLN HA H 20 4.353 4.834 -0.481 1
1 175 . 20 1 1 A 20 20 GLN CA C 20 55.533 54.081 1.452 1
1 176 . 20 1 1 A 20 20 GLN CB C 20 30.130 32.089 -1.959 1
1 178 . 20 1 1 A 20 20 GLN N N 20 119.721 117.113 2.608 1
1 179 . 20 1 1 A 22 22 LYS H H 22 8.151 7.737 0.414 1
1 180 . 20 1 1 A 22 22 LYS HA H 22 4.165 4.701 -0.536 1
1 185 . 20 1 1 A 22 22 LYS C C 22 176.016 175.350 0.666 1
1 186 . 20 1 1 A 22 22 LYS CA C 22 56.717 54.379 2.338 1
1 187 . 20 1 1 A 22 22 LYS CB C 22 32.303 35.277 -2.974 1
1 191 . 20 1 1 A 23 23 ARG H H 23 8.329 8.559 -0.230 1
1 192 . 20 1 1 A 23 23 ARG HA H 23 3.937 4.520 -0.583 1
1 199 . 20 1 1 A 23 23 ARG C C 23 174.937 175.486 -0.549 1
1 200 . 20 1 1 A 23 23 ARG CA C 23 56.436 56.208 0.228 1
1 201 . 20 1 1 A 23 23 ARG CB C 23 29.144 30.198 -1.054 1
1 204 . 20 1 1 A 23 23 ARG N N 23 119.006 123.220 -4.214 1
1 205 . 20 1 1 A 24 24 MET H H 24 7.965 8.121 -0.156 1
1 206 . 20 1 1 A 24 24 MET HA H 24 4.492 4.935 -0.443 1
1 209 . 20 1 1 A 24 24 MET C C 24 174.737 174.180 0.557 1
1 210 . 20 1 1 A 24 24 MET CA C 24 55.134 55.188 -0.054 1
1 211 . 20 1 1 A 24 24 MET CB C 24 33.665 35.504 -1.839 1
1 213 . 20 1 1 A 24 24 MET N N 24 120.460 122.524 -2.064 1
1 214 . 20 1 1 A 25 25 PHE H H 25 8.593 9.292 -0.699 1
1 215 . 20 1 1 A 25 25 PHE HA H 25 4.788 5.142 -0.354 1
1 223 . 20 1 1 A 25 25 PHE C C 25 175.712 174.964 0.748 1
1 224 . 20 1 1 A 25 25 PHE CA C 25 57.421 56.378 1.043 1
1 225 . 20 1 1 A 25 25 PHE CB C 25 41.890 41.801 0.089 1
1 231 . 20 1 1 A 25 25 PHE N N 25 121.330 126.151 -4.821 1
1 232 . 20 1 1 A 26 26 GLN H H 26 8.758 9.056 -0.298 1
1 233 . 20 1 1 A 26 26 GLN HA H 26 4.777 4.689 0.088 1
1 240 . 20 1 1 A 26 26 GLN C C 26 175.149 174.490 0.659 1
1 241 . 20 1 1 A 26 26 GLN CA C 26 53.991 55.316 -1.325 1
1 242 . 20 1 1 A 26 26 GLN CB C 26 32.144 29.961 2.183 1
1 244 . 20 1 1 A 26 26 GLN N N 26 119.081 123.667 -4.586 1
1 246 . 20 1 1 A 27 27 LYS H H 27 8.913 8.730 0.183 1
1 247 . 20 1 1 A 27 27 LYS HA H 27 4.933 5.167 -0.234 1
1 256 . 20 1 1 A 27 27 LYS C C 27 177.786 175.588 2.198 1
1 257 . 20 1 1 A 27 27 LYS CA C 27 57.843 54.990 2.853 1
1 258 . 20 1 1 A 27 27 LYS CB C 27 32.720 34.996 -2.276 1
1 262 . 20 1 1 A 27 27 LYS N N 27 126.903 125.760 1.143 1
1 263 . 20 1 1 A 28 28 ARG H H 28 9.847 8.386 1.461 1
1 264 . 20 1 1 A 28 28 ARG HA H 28 5.236 5.151 0.085 1
1 271 . 20 1 1 A 28 28 ARG C C 28 173.319 175.051 -1.732 1
1 272 . 20 1 1 A 28 28 ARG CA C 28 53.481 54.484 -1.003 1
1 273 . 20 1 1 A 28 28 ARG CB C 28 34.405 34.320 0.085 1
1 276 . 20 1 1 A 28 28 ARG N N 28 127.032 125.315 1.717 1
1 277 . 20 1 1 A 29 29 TRP H H 29 8.408 8.704 -0.296 1
1 278 . 20 1 1 A 29 29 TRP HA H 29 4.424 4.294 0.130 1
1 285 . 20 1 1 A 29 29 TRP C C 29 174.606 175.024 -0.418 1
1 286 . 20 1 1 A 29 29 TRP CA C 29 56.383 58.402 -2.019 1
1 287 . 20 1 1 A 29 29 TRP CB C 29 29.226 29.675 -0.449 1
1 292 . 20 1 1 A 29 29 TRP N N 29 124.511 126.130 -1.619 1
1 293 . 20 1 1 A 30 30 VAL H H 30 8.464 7.766 0.698 1
1 294 . 20 1 1 A 30 30 VAL HA H 30 4.736 4.897 -0.161 1
1 302 . 20 1 1 A 30 30 VAL C C 30 172.903 174.915 -2.012 1
1 303 . 20 1 1 A 30 30 VAL CA C 30 61.219 60.415 0.804 1
1 304 . 20 1 1 A 30 30 VAL CB C 30 32.925 34.573 -1.648 1
1 307 . 20 1 1 A 30 30 VAL N N 30 129.572 127.246 2.326 1
1 308 . 20 1 1 A 31 31 LYS H H 31 9.125 8.685 0.440 1
1 309 . 20 1 1 A 31 31 LYS HA H 31 5.095 4.743 0.352 1
1 318 . 20 1 1 A 31 31 LYS C C 31 175.396 174.167 1.229 1
1 319 . 20 1 1 A 31 31 LYS CA C 31 54.677 55.813 -1.136 1
1 320 . 20 1 1 A 31 31 LYS CB C 31 37.036 36.745 0.291 1
1 324 . 20 1 1 A 31 31 LYS N N 31 124.358 124.896 -0.538 1
1 325 . 20 1 1 A 32 32 PHE H H 32 9.725 8.690 1.035 1
1 326 . 20 1 1 A 32 32 PHE HA H 32 5.905 5.280 0.625 1
1 334 . 20 1 1 A 32 32 PHE C C 32 174.555 174.494 0.061 1
1 335 . 20 1 1 A 32 32 PHE CA C 32 56.224 56.252 -0.028 1
1 336 . 20 1 1 A 32 32 PHE CB C 32 41.804 42.813 -1.009 1
1 342 . 20 1 1 A 32 32 PHE N N 32 125.979 127.203 -1.224 1
1 343 . 20 1 1 A 33 33 ASP H H 33 7.884 8.488 -0.604 1
1 344 . 20 1 1 A 33 33 ASP HA H 33 4.555 4.549 0.006 1
1 347 . 20 1 1 A 33 33 ASP C C 33 175.730 175.840 -0.110 1
1 348 . 20 1 1 A 33 33 ASP CA C 33 52.602 54.084 -1.482 1
1 349 . 20 1 1 A 33 33 ASP CB C 33 41.686 42.589 -0.903 1
1 350 . 20 1 1 A 33 33 ASP N N 33 126.924 124.954 1.970 1
1 351 . 20 1 1 A 34 34 GLY H H 34 4.680 6.509 -1.829 1
1 352 . 20 1 1 A 34 34 GLY HA2 H 34 4.252 3.415 0.837 1
1 353 . 20 1 1 A 34 34 GLY HA3 H 34 3.023 3.712 -0.689 1
1 354 . 20 1 1 A 34 34 GLY C C 34 172.363 175.060 -2.697 1
1 355 . 20 1 1 A 34 34 GLY CA C 34 45.672 44.736 0.936 1
1 356 . 20 1 1 A 35 35 LEU H H 35 8.148 7.734 0.414 1
1 357 . 20 1 1 A 35 35 LEU HA H 35 4.623 4.393 0.230 1
1 367 . 20 1 1 A 35 35 LEU C C 35 177.783 176.849 0.934 1
1 368 . 20 1 1 A 35 35 LEU CA C 35 55.978 55.832 0.146 1
1 369 . 20 1 1 A 35 35 LEU CB C 35 44.352 43.513 0.839 1
1 373 . 20 1 1 A 35 35 LEU N N 35 120.632 119.613 1.019 1
1 374 . 20 1 1 A 36 36 SER H H 36 9.064 7.842 1.222 1
1 375 . 20 1 1 A 36 36 SER HA H 36 5.059 5.075 -0.016 1
1 378 . 20 1 1 A 36 36 SER C C 36 173.878 172.458 1.420 1
1 379 . 20 1 1 A 36 36 SER CA C 36 57.667 57.511 0.156 1
1 380 . 20 1 1 A 36 36 SER CB C 36 66.140 66.087 0.053 1
1 381 . 20 1 1 A 36 36 SER N N 36 115.030 109.665 5.365 1
1 382 . 20 1 1 A 37 37 ILE H H 37 8.981 9.103 -0.122 1
1 383 . 20 1 1 A 37 37 ILE HA H 37 5.055 4.935 0.120 1
1 393 . 20 1 1 A 37 37 ILE C C 37 174.995 174.770 0.225 1
1 394 . 20 1 1 A 37 37 ILE CA C 37 61.061 60.812 0.249 1
1 395 . 20 1 1 A 37 37 ILE CB C 37 39.355 39.070 0.285 1
1 399 . 20 1 1 A 37 37 ILE N N 37 122.186 120.278 1.908 1
1 400 . 20 1 1 A 38 38 SER H H 38 9.422 8.579 0.843 1
1 401 . 20 1 1 A 38 38 SER HA H 38 5.297 4.973 0.324 1
1 404 . 20 1 1 A 38 38 SER C C 38 172.177 173.248 -1.071 1
1 405 . 20 1 1 A 38 38 SER CA C 38 56.910 57.577 -0.667 1
1 406 . 20 1 1 A 38 38 SER CB C 38 66.018 63.950 2.068 1
1 407 . 20 1 1 A 38 38 SER N N 38 122.548 125.405 -2.857 1
1 408 . 20 1 1 A 39 39 TYR H H 39 7.649 8.066 -0.417 1
1 409 . 20 1 1 A 39 39 TYR HA H 39 6.025 5.822 0.203 1
1 416 . 20 1 1 A 39 39 TYR C C 39 173.937 173.511 0.426 1
1 417 . 20 1 1 A 39 39 TYR CA C 39 54.144 55.042 -0.898 1
1 418 . 20 1 1 A 39 39 TYR CB C 39 41.722 41.896 -0.174 1
1 423 . 20 1 1 A 39 39 TYR N N 39 116.176 123.201 -7.025 1
1 424 . 20 1 1 A 40 40 TYR H H 40 9.647 9.188 0.459 1
1 425 . 20 1 1 A 40 40 TYR HA H 40 5.044 5.330 -0.286 1
1 432 . 20 1 1 A 40 40 TYR CA C 40 56.928 56.938 -0.010 1
1 433 . 20 1 1 A 40 40 TYR CB C 40 43.678 42.717 0.961 1
1 438 . 20 1 1 A 40 40 TYR N N 40 118.964 120.097 -1.133 1
1 439 . 20 1 1 A 41 41 ASN H H 41 7.712 8.717 -1.005 1
1 440 . 20 1 1 A 41 41 ASN HA H 41 4.867 5.467 -0.600 1
1 445 . 20 1 1 A 41 41 ASN CB C 41 39.279 40.562 -1.283 1
1 446 . 20 1 1 A 41 41 ASN N N 41 109.731 118.020 -8.289 1
1 448 . 20 1 1 A 42 42 ASN H H 42 9.215 9.080 0.135 1
1 449 . 20 1 1 A 42 42 ASN HA H 42 4.868 5.154 -0.286 1
1 452 . 20 1 1 A 42 42 ASN CA C 42 52.812 51.992 0.820 1
1 453 . 20 1 1 A 42 42 ASN CB C 42 39.180 39.459 -0.279 1
1 458 . 20 1 1 A 44 44 LYS CB C 44 35.364 31.791 3.573 1
1 460 . 20 1 1 A 46 46 MET H H 46 8.285 8.654 -0.369 1
1 461 . 20 1 1 A 46 46 MET HA H 46 4.218 4.619 -0.401 1
1 466 . 20 1 1 A 46 46 MET CA C 46 56.523 54.849 1.674 1
1 467 . 20 1 1 A 46 46 MET CB C 46 33.665 33.654 0.011 1
1 469 . 20 1 1 A 47 47 TYR H H 47 7.965 8.354 -0.389 1
1 470 . 20 1 1 A 47 47 TYR HA H 47 4.935 4.033 0.902 1
1 477 . 20 1 1 A 47 47 TYR CA C 47 55.861 58.706 -2.845 1
1 478 . 20 1 1 A 47 47 TYR CB C 47 38.476 35.750 2.726 1
1 483 . 20 1 1 A 47 47 TYR N N 47 117.521 116.600 0.921 1
1 484 . 20 1 1 A 49 49 LYS H H 49 8.704 8.227 0.477 1
1 485 . 20 1 1 A 49 49 LYS HA H 49 4.369 4.806 -0.437 1
1 494 . 20 1 1 A 49 49 LYS CA C 49 54.891 55.062 -0.171 1
1 495 . 20 1 1 A 49 49 LYS CB C 49 32.501 35.870 -3.369 1
1 499 . 20 1 1 A 50 50 GLY H H 50 6.985 8.523 -1.538 1
1 500 . 20 1 1 A 50 50 GLY HA2 H 50 3.825 3.596 0.229 1
1 501 . 20 1 1 A 50 50 GLY HA3 H 50 3.265 4.021 -0.756 1
1 502 . 20 1 1 A 50 50 GLY C C 50 170.241 172.881 -2.640 1
1 503 . 20 1 1 A 50 50 GLY CA C 50 45.039 45.451 -0.412 1
1 504 . 20 1 1 A 50 50 GLY N N 50 108.097 107.810 0.287 1
1 505 . 20 1 1 A 51 51 ILE H H 51 7.890 8.131 -0.241 1
1 506 . 20 1 1 A 51 51 ILE HA H 51 4.777 5.105 -0.328 1
1 516 . 20 1 1 A 51 51 ILE C C 51 175.026 173.596 1.430 1
1 517 . 20 1 1 A 51 51 ILE CA C 51 60.217 58.782 1.435 1
1 518 . 20 1 1 A 51 51 ILE CB C 51 42.388 41.890 0.498 1
1 522 . 20 1 1 A 51 51 ILE N N 51 117.769 121.285 -3.516 1
1 523 . 20 1 1 A 52 52 ILE H H 52 9.485 9.273 0.212 1
1 524 . 20 1 1 A 52 52 ILE HA H 52 4.533 4.783 -0.250 1
1 534 . 20 1 1 A 52 52 ILE C C 52 173.526 174.563 -1.037 1
1 535 . 20 1 1 A 52 52 ILE CA C 52 57.983 57.895 0.088 1
1 536 . 20 1 1 A 52 52 ILE CB C 52 40.324 40.682 -0.358 1
1 540 . 20 1 1 A 52 52 ILE N N 52 127.899 127.886 0.013 1
1 541 . 20 1 1 A 53 53 PRO HA H 53 4.501 4.774 -0.273 1
1 548 . 20 1 1 A 53 53 PRO C C 53 177.663 178.036 -0.373 1
1 549 . 20 1 1 A 53 53 PRO CA C 53 62.838 63.042 -0.204 1
1 550 . 20 1 1 A 53 53 PRO CB C 53 31.939 31.770 0.169 1
1 553 . 20 1 1 A 54 54 LEU H H 54 8.647 8.747 -0.100 1
1 554 . 20 1 1 A 54 54 LEU HA H 54 3.985 4.133 -0.148 1
1 564 . 20 1 1 A 54 54 LEU C C 54 178.940 177.974 0.966 1
1 565 . 20 1 1 A 54 54 LEU CA C 54 58.371 58.030 0.341 1
1 566 . 20 1 1 A 54 54 LEU CB C 54 42.388 41.891 0.497 1
1 570 . 20 1 1 A 54 54 LEU N N 54 124.847 127.091 -2.244 1
1 571 . 20 1 1 A 55 55 SER H H 55 8.278 8.262 0.016 1
1 572 . 20 1 1 A 55 55 SER HA H 55 4.169 4.082 0.087 1
1 575 . 20 1 1 A 55 55 SER C C 55 174.956 177.004 -2.048 1
1 576 . 20 1 1 A 55 55 SER CA C 55 59.971 61.650 -1.679 1
1 577 . 20 1 1 A 55 55 SER CB C 55 62.721 62.960 -0.239 1
1 578 . 20 1 1 A 55 55 SER N N 55 109.639 114.374 -4.735 1
1 579 . 20 1 1 A 56 56 ALA H H 56 7.796 8.200 -0.404 1
1 580 . 20 1 1 A 56 56 ALA HA H 56 4.545 4.162 0.383 1
1 584 . 20 1 1 A 56 56 ALA C C 56 177.505 178.741 -1.236 1
1 585 . 20 1 1 A 56 56 ALA CA C 56 52.022 55.423 -3.401 1
1 586 . 20 1 1 A 56 56 ALA CB C 56 20.240 18.495 1.745 1
1 587 . 20 1 1 A 56 56 ALA N N 56 123.057 121.499 1.558 1
1 588 . 20 1 1 A 57 57 ILE H H 57 7.664 7.252 0.412 1
1 589 . 20 1 1 A 57 57 ILE HA H 57 4.035 4.223 -0.188 1
1 599 . 20 1 1 A 57 57 ILE C C 57 175.285 176.176 -0.891 1
1 600 . 20 1 1 A 57 57 ILE CA C 57 62.697 62.773 -0.076 1
1 601 . 20 1 1 A 57 57 ILE CB C 57 38.474 38.172 0.302 1
1 605 . 20 1 1 A 57 57 ILE N N 57 119.512 118.933 0.579 1
1 606 . 20 1 1 A 58 58 SER H H 58 9.364 9.324 0.040 1
1 607 . 20 1 1 A 58 58 SER HA H 58 4.526 4.692 -0.166 1
1 610 . 20 1 1 A 58 58 SER C C 58 175.125 174.465 0.660 1
1 611 . 20 1 1 A 58 58 SER CA C 58 59.215 60.017 -0.802 1
1 612 . 20 1 1 A 58 58 SER CB C 58 63.590 65.064 -1.474 1
1 613 . 20 1 1 A 58 58 SER N N 58 122.513 122.262 0.251 1
1 614 . 20 1 1 A 59 59 THR H H 59 7.502 7.538 -0.036 1
1 615 . 20 1 1 A 59 59 THR HA H 59 4.355 4.580 -0.225 1
1 620 . 20 1 1 A 59 59 THR C C 59 170.784 171.776 -0.992 1
1 621 . 20 1 1 A 59 59 THR CA C 59 61.132 61.449 -0.317 1
1 622 . 20 1 1 A 59 59 THR CB C 59 68.686 71.408 -2.722 1
1 624 . 20 1 1 A 59 59 THR N N 59 112.470 111.953 0.517 1
1 625 . 20 1 1 A 60 60 VAL H H 60 7.766 9.011 -1.245 1
1 626 . 20 1 1 A 60 60 VAL HA H 60 5.326 4.817 0.509 1
1 634 . 20 1 1 A 60 60 VAL C C 60 174.166 174.718 -0.552 1
1 635 . 20 1 1 A 60 60 VAL CA C 60 60.410 61.373 -0.963 1
1 636 . 20 1 1 A 60 60 VAL CB C 60 34.979 32.956 2.023 1
1 639 . 20 1 1 A 60 60 VAL N N 60 121.276 128.289 -7.013 1
1 640 . 20 1 1 A 61 61 ARG H H 61 8.941 8.793 0.148 1
1 641 . 20 1 1 A 61 61 ARG HA H 61 5.053 4.960 0.093 1
1 648 . 20 1 1 A 61 61 ARG C C 61 175.460 174.916 0.544 1
1 649 . 20 1 1 A 61 61 ARG CA C 61 54.166 53.958 0.208 1
1 650 . 20 1 1 A 61 61 ARG CB C 61 34.000 33.855 0.145 1
1 653 . 20 1 1 A 61 61 ARG N N 61 121.101 124.269 -3.168 1
1 654 . 20 1 1 A 62 62 VAL H H 62 8.627 8.496 0.131 1
1 655 . 20 1 1 A 62 62 VAL HA H 62 4.195 4.800 -0.605 1
1 663 . 20 1 1 A 62 62 VAL C C 62 175.216 174.938 0.278 1
1 664 . 20 1 1 A 62 62 VAL CA C 62 62.926 61.443 1.483 1
1 665 . 20 1 1 A 62 62 VAL CB C 62 33.459 33.189 0.270 1
1 668 . 20 1 1 A 62 62 VAL N N 62 118.451 118.492 -0.041 1
1 669 . 20 1 1 A 63 63 GLN H H 63 7.628 8.760 -1.132 1
1 670 . 20 1 1 A 63 63 GLN HA H 63 4.575 4.915 -0.340 1
1 677 . 20 1 1 A 63 63 GLN C C 63 174.418 175.713 -1.295 1
1 678 . 20 1 1 A 63 63 GLN CA C 63 55.451 54.805 0.646 1
1 679 . 20 1 1 A 63 63 GLN CB C 63 32.062 32.798 -0.736 1
1 681 . 20 1 1 A 63 63 GLN N N 63 123.160 120.869 2.291 1
1 683 . 20 1 1 A 64 64 GLY H H 64 8.678 8.886 -0.208 1
1 684 . 20 1 1 A 64 64 GLY HA2 H 64 4.025 3.892 0.133 1
1 685 . 20 1 1 A 64 64 GLY HA3 H 64 3.895 3.896 -0.001 1
1 686 . 20 1 1 A 64 64 GLY C C 64 174.592 174.820 -0.228 1
1 687 . 20 1 1 A 64 64 GLY CA C 64 45.531 46.799 -1.268 1
1 688 . 20 1 1 A 64 64 GLY N N 64 112.406 110.865 1.541 1
1 689 . 20 1 1 A 65 65 ASP HA H 65 4.625 4.714 -0.089 1
1 692 . 20 1 1 A 65 65 ASP C C 65 176.902 177.401 -0.499 1
1 693 . 20 1 1 A 65 65 ASP CA C 65 55.486 55.673 -0.187 1
1 694 . 20 1 1 A 65 65 ASP CB C 65 40.817 41.523 -0.706 1
1 695 . 20 1 1 A 66 66 ASN H H 66 7.979 8.317 -0.338 1
1 696 . 20 1 1 A 66 66 ASN HA H 66 4.554 4.891 -0.337 1
1 701 . 20 1 1 A 66 66 ASN C C 66 174.456 173.584 0.872 1
1 702 . 20 1 1 A 66 66 ASN CA C 66 52.795 52.901 -0.106 1
1 703 . 20 1 1 A 66 66 ASN CB C 66 37.981 39.179 -1.198 1
1 704 . 20 1 1 A 66 66 ASN N N 66 112.071 115.556 -3.485 1
1 706 . 20 1 1 A 67 67 LYS H H 67 7.476 7.744 -0.268 1
1 707 . 20 1 1 A 67 67 LYS HA H 67 5.914 4.962 0.952 1
1 716 . 20 1 1 A 67 67 LYS C C 67 177.922 175.251 2.671 1
1 717 . 20 1 1 A 67 67 LYS CA C 67 54.906 54.529 0.377 1
1 718 . 20 1 1 A 67 67 LYS CB C 67 36.707 37.309 -0.602 1
1 722 . 20 1 1 A 67 67 LYS N N 67 115.613 116.834 -1.221 1
1 723 . 20 1 1 A 68 68 PHE H H 68 9.227 8.647 0.580 1
1 724 . 20 1 1 A 68 68 PHE HA H 68 5.296 5.468 -0.172 1
1 732 . 20 1 1 A 68 68 PHE C C 68 171.230 172.319 -1.089 1
1 733 . 20 1 1 A 68 68 PHE CA C 68 56.576 55.455 1.121 1
1 734 . 20 1 1 A 68 68 PHE CB C 68 42.790 42.527 0.263 1
1 740 . 20 1 1 A 68 68 PHE N N 68 117.009 117.276 -0.267 1
1 741 . 20 1 1 A 69 69 GLU H H 69 9.527 9.155 0.372 1
1 742 . 20 1 1 A 69 69 GLU HA H 69 5.434 4.902 0.532 1
1 747 . 20 1 1 A 69 69 GLU C C 69 175.659 175.333 0.326 1
1 748 . 20 1 1 A 69 69 GLU CA C 69 53.429 55.064 -1.635 1
1 749 . 20 1 1 A 69 69 GLU CB C 69 33.460 32.309 1.151 1
1 751 . 20 1 1 A 69 69 GLU N N 69 119.470 120.245 -0.775 1
1 752 . 20 1 1 A 70 70 VAL H H 70 9.486 8.778 0.708 1
1 753 . 20 1 1 A 70 70 VAL HA H 70 4.486 4.643 -0.157 1
1 761 . 20 1 1 A 70 70 VAL C C 70 174.403 175.631 -1.228 1
1 762 . 20 1 1 A 70 70 VAL CA C 70 62.240 61.856 0.384 1
1 763 . 20 1 1 A 70 70 VAL CB C 70 33.706 32.224 1.482 1
1 766 . 20 1 1 A 70 70 VAL N N 70 123.935 127.426 -3.491 1
1 767 . 20 1 1 A 71 71 VAL H H 71 8.658 8.488 0.170 1
1 768 . 20 1 1 A 71 71 VAL HA H 71 4.345 4.149 0.196 1
1 776 . 20 1 1 A 71 71 VAL C C 71 175.524 175.566 -0.042 1
1 777 . 20 1 1 A 71 71 VAL CA C 71 63.365 63.376 -0.011 1
1 778 . 20 1 1 A 71 71 VAL CB C 71 32.802 31.230 1.572 1
1 781 . 20 1 1 A 71 71 VAL N N 71 129.195 128.319 0.876 1
1 782 . 20 1 1 A 72 72 THR H H 72 8.134 8.006 0.128 1
1 783 . 20 1 1 A 72 72 THR HA H 72 5.515 5.129 0.386 1
1 788 . 20 1 1 A 72 72 THR C C 72 174.609 174.993 -0.384 1
1 789 . 20 1 1 A 72 72 THR CA C 72 59.496 59.926 -0.430 1
1 790 . 20 1 1 A 72 72 THR CB C 72 72.139 71.719 0.420 1
1 792 . 20 1 1 A 72 72 THR N N 72 117.639 116.805 0.834 1
1 793 . 20 1 1 A 73 73 THR H H 73 8.944 8.633 0.311 1
1 794 . 20 1 1 A 73 73 THR HA H 73 3.966 3.791 0.175 1
1 799 . 20 1 1 A 73 73 THR C C 73 175.783 175.825 -0.042 1
1 800 . 20 1 1 A 73 73 THR CA C 73 65.880 66.769 -0.889 1
1 801 . 20 1 1 A 73 73 THR CB C 73 68.604 69.039 -0.435 1
1 803 . 20 1 1 A 73 73 THR N N 73 114.027 118.857 -4.830 1
1 804 . 20 1 1 A 74 74 GLN H H 74 7.997 7.798 0.199 1
1 805 . 20 1 1 A 74 74 GLN HA H 74 4.350 4.113 0.237 1
1 812 . 20 1 1 A 74 74 GLN C C 74 175.698 176.469 -0.771 1
1 813 . 20 1 1 A 74 74 GLN CA C 74 56.910 59.093 -2.183 1
1 814 . 20 1 1 A 74 74 GLN CB C 74 30.624 28.930 1.694 1
1 816 . 20 1 1 A 74 74 GLN N N 74 115.670 118.417 -2.747 1
1 818 . 20 1 1 A 75 75 ARG H H 75 7.366 7.428 -0.062 1
1 819 . 20 1 1 A 75 75 ARG HA H 75 4.395 4.417 -0.022 1
1 826 . 20 1 1 A 75 75 ARG C C 75 174.546 173.761 0.785 1
1 827 . 20 1 1 A 75 75 ARG CA C 75 55.802 55.329 0.473 1
1 828 . 20 1 1 A 75 75 ARG CB C 75 32.514 32.385 0.129 1
1 831 . 20 1 1 A 75 75 ARG N N 75 115.650 116.607 -0.957 1
1 832 . 20 1 1 A 76 76 THR H H 76 8.679 8.422 0.257 1
1 833 . 20 1 1 A 76 76 THR HA H 76 5.065 3.999 1.066 1
1 838 . 20 1 1 A 76 76 THR C C 76 173.239 174.449 -1.210 1
1 839 . 20 1 1 A 76 76 THR CA C 76 61.888 63.736 -1.848 1
1 840 . 20 1 1 A 76 76 THR CB C 76 69.878 69.478 0.400 1
1 842 . 20 1 1 A 76 76 THR N N 76 120.285 121.254 -0.969 1
1 843 . 20 1 1 A 77 77 PHE H H 77 9.156 8.927 0.229 1
1 844 . 20 1 1 A 77 77 PHE HA H 77 4.385 5.088 -0.703 1
1 852 . 20 1 1 A 77 77 PHE C C 77 174.028 174.609 -0.581 1
1 853 . 20 1 1 A 77 77 PHE CA C 77 56.822 56.076 0.746 1
1 854 . 20 1 1 A 77 77 PHE CB C 77 41.640 43.064 -1.424 1
1 860 . 20 1 1 A 77 77 PHE N N 77 127.212 125.210 2.002 1
1 861 . 20 1 1 A 78 78 VAL H H 78 8.374 8.417 -0.043 1
1 862 . 20 1 1 A 78 78 VAL HA H 78 4.506 4.550 -0.044 1
1 870 . 20 1 1 A 78 78 VAL C C 78 173.264 174.350 -1.086 1
1 871 . 20 1 1 A 78 78 VAL CA C 78 61.730 61.339 0.391 1
1 872 . 20 1 1 A 78 78 VAL CB C 78 33.254 34.452 -1.198 1
1 875 . 20 1 1 A 78 78 VAL N N 78 123.393 119.474 3.919 1
1 876 . 20 1 1 A 79 79 PHE H H 79 8.458 8.387 0.071 1
1 877 . 20 1 1 A 79 79 PHE HA H 79 5.403 4.937 0.466 1
1 885 . 20 1 1 A 79 79 PHE C C 79 173.855 173.577 0.278 1
1 886 . 20 1 1 A 79 79 PHE CA C 79 55.151 55.634 -0.483 1
1 887 . 20 1 1 A 79 79 PHE CB C 79 42.913 41.688 1.225 1
1 893 . 20 1 1 A 79 79 PHE N N 79 123.801 124.949 -1.148 1
1 894 . 20 1 1 A 80 80 ARG H H 80 9.407 8.951 0.456 1
1 895 . 20 1 1 A 80 80 ARG HA H 80 5.134 5.010 0.124 1
1 902 . 20 1 1 A 80 80 ARG C C 80 174.634 175.192 -0.558 1
1 903 . 20 1 1 A 80 80 ARG CA C 80 54.431 53.827 0.604 1
1 904 . 20 1 1 A 80 80 ARG CB C 80 35.227 33.646 1.581 1
1 907 . 20 1 1 A 80 80 ARG N N 80 121.570 122.454 -0.884 1
1 908 . 20 1 1 A 81 81 VAL H H 81 8.544 8.763 -0.219 1
1 909 . 20 1 1 A 81 81 VAL HA H 81 4.708 4.900 -0.192 1
1 917 . 20 1 1 A 81 81 VAL C C 81 175.050 175.740 -0.690 1
1 918 . 20 1 1 A 81 81 VAL CA C 81 59.602 59.346 0.256 1
1 919 . 20 1 1 A 81 81 VAL CB C 81 33.706 34.575 -0.869 1
1 922 . 20 1 1 A 81 81 VAL N N 81 122.128 119.716 2.412 1
1 923 . 20 1 1 A 82 82 GLU H H 82 8.549 9.048 -0.499 1
1 924 . 20 1 1 A 82 82 GLU HA H 82 4.132 4.413 -0.281 1
1 929 . 20 1 1 A 82 82 GLU C C 82 176.909 175.822 1.087 1
1 930 . 20 1 1 A 82 82 GLU CA C 82 58.973 57.360 1.613 1
1 931 . 20 1 1 A 82 82 GLU CB C 82 30.582 31.654 -1.072 1
1 933 . 20 1 1 A 82 82 GLU N N 82 121.776 121.895 -0.119 1
1 934 . 20 1 1 A 83 83 LYS H H 83 7.618 7.612 0.006 1
1 935 . 20 1 1 A 83 83 LYS HA H 83 4.708 4.730 -0.022 1
1 944 . 20 1 1 A 83 83 LYS C C 83 176.665 176.709 -0.044 1
1 945 . 20 1 1 A 83 83 LYS CA C 83 54.694 54.535 0.159 1
1 946 . 20 1 1 A 83 83 LYS CB C 83 34.775 36.565 -1.790 1
1 950 . 20 1 1 A 83 83 LYS N N 83 115.778 117.276 -1.498 1
1 951 . 20 1 1 A 84 84 GLU H H 84 9.150 9.094 0.056 1
1 952 . 20 1 1 A 84 84 GLU HA H 84 3.953 4.135 -0.182 1
1 957 . 20 1 1 A 84 84 GLU C C 84 178.243 178.393 -0.150 1
1 958 . 20 1 1 A 84 84 GLU CA C 84 60.217 59.647 0.570 1
1 959 . 20 1 1 A 84 84 GLU CB C 84 29.843 29.172 0.671 1
1 961 . 20 1 1 A 84 84 GLU N N 84 127.798 121.609 6.189 1
1 962 . 20 1 1 A 85 85 GLU H H 85 9.626 8.415 1.211 1
1 963 . 20 1 1 A 85 85 GLU HA H 85 4.100 3.993 0.107 1
1 968 . 20 1 1 A 85 85 GLU C C 85 178.948 179.146 -0.198 1
1 969 . 20 1 1 A 85 85 GLU CA C 85 59.847 59.587 0.260 1
1 970 . 20 1 1 A 85 85 GLU CB C 85 28.897 29.190 -0.293 1
1 972 . 20 1 1 A 85 85 GLU N N 85 117.844 119.592 -1.748 1
1 973 . 20 1 1 A 86 86 GLU H H 86 7.257 8.602 -1.345 1
1 974 . 20 1 1 A 86 86 GLU HA H 86 4.365 3.975 0.390 1
1 979 . 20 1 1 A 86 86 GLU C C 86 178.607 179.233 -0.626 1
1 980 . 20 1 1 A 86 86 GLU CA C 86 58.089 59.342 -1.253 1
1 981 . 20 1 1 A 86 86 GLU CB C 86 30.212 29.514 0.698 1
1 983 . 20 1 1 A 86 86 GLU N N 86 118.075 120.436 -2.361 1
1 984 . 20 1 1 A 87 87 ARG H H 87 7.919 8.088 -0.169 1
1 985 . 20 1 1 A 87 87 ARG HA H 87 3.838 4.055 -0.217 1
1 992 . 20 1 1 A 87 87 ARG C C 87 177.977 179.065 -1.088 1
1 993 . 20 1 1 A 87 87 ARG CA C 87 60.815 59.403 1.412 1
1 994 . 20 1 1 A 87 87 ARG CB C 87 28.856 30.099 -1.243 1
1 997 . 20 1 1 A 87 87 ARG N N 87 121.287 120.780 0.507 1
1 998 . 20 1 1 A 88 88 ASN H H 88 8.421 7.726 0.695 1
1 999 . 20 1 1 A 88 88 ASN HA H 88 4.295 4.511 -0.216 1
1 1004 . 20 1 1 A 88 88 ASN C C 88 177.423 177.678 -0.255 1
1 1005 . 20 1 1 A 88 88 ASN CA C 88 55.627 56.432 -0.805 1
1 1006 . 20 1 1 A 88 88 ASN CB C 88 37.136 38.349 -1.213 1
1 1007 . 20 1 1 A 88 88 ASN N N 88 116.926 117.321 -0.395 1
1 1009 . 20 1 1 A 89 89 ASP H H 89 7.790 8.097 -0.307 1
1 1010 . 20 1 1 A 89 89 ASP HA H 89 4.389 4.208 0.181 1
1 1013 . 20 1 1 A 89 89 ASP C C 89 177.683 178.484 -0.801 1
1 1014 . 20 1 1 A 89 89 ASP CA C 89 57.737 57.365 0.372 1
1 1015 . 20 1 1 A 89 89 ASP CB C 89 41.352 40.386 0.966 1
1 1016 . 20 1 1 A 89 89 ASP N N 89 121.867 118.788 3.079 1
1 1017 . 20 1 1 A 90 90 TRP H H 90 7.690 8.443 -0.753 1
1 1018 . 20 1 1 A 90 90 TRP HA H 90 3.666 4.182 -0.516 1
1 1027 . 20 1 1 A 90 90 TRP C C 90 177.880 178.500 -0.620 1
1 1028 . 20 1 1 A 90 90 TRP CA C 90 61.704 59.730 1.974 1
1 1029 . 20 1 1 A 90 90 TRP CB C 90 29.594 29.103 0.491 1
1 1035 . 20 1 1 A 90 90 TRP N N 90 117.617 119.243 -1.626 1
1 1037 . 20 1 1 A 91 91 ILE H H 91 7.654 7.957 -0.303 1
1 1038 . 20 1 1 A 91 91 ILE HA H 91 3.275 3.497 -0.222 1
1 1048 . 20 1 1 A 91 91 ILE C C 91 177.138 177.760 -0.622 1
1 1049 . 20 1 1 A 91 91 ILE CA C 91 65.001 65.151 -0.150 1
1 1050 . 20 1 1 A 91 91 ILE CB C 91 36.913 37.608 -0.695 1
1 1054 . 20 1 1 A 91 91 ILE N N 91 114.248 120.384 -6.136 1
1 1055 . 20 1 1 A 92 92 SER H H 92 8.055 8.647 -0.592 1
1 1056 . 20 1 1 A 92 92 SER HA H 92 4.045 4.054 -0.009 1
1 1059 . 20 1 1 A 92 92 SER C C 92 177.204 177.140 0.064 1
1 1060 . 20 1 1 A 92 92 SER CA C 92 61.923 61.671 0.252 1
1 1061 . 20 1 1 A 92 92 SER CB C 92 62.767 63.014 -0.247 1
1 1062 . 20 1 1 A 92 92 SER N N 92 114.018 115.414 -1.396 1
1 1063 . 20 1 1 A 93 93 ILE H H 93 7.926 8.057 -0.131 1
1 1064 . 20 1 1 A 93 93 ILE HA H 93 3.795 3.704 0.091 1
1 1074 . 20 1 1 A 93 93 ILE C C 93 178.947 177.959 0.988 1
1 1075 . 20 1 1 A 93 93 ILE CA C 93 64.825 65.267 -0.442 1
1 1076 . 20 1 1 A 93 93 ILE CB C 93 37.693 38.061 -0.368 1
1 1080 . 20 1 1 A 93 93 ILE N N 93 120.974 120.913 0.061 1
1 1081 . 20 1 1 A 94 94 LEU H H 94 7.678 8.049 -0.371 1
1 1082 . 20 1 1 A 94 94 LEU HA H 94 3.634 3.677 -0.043 1
1 1092 . 20 1 1 A 94 94 LEU C C 94 178.551 178.913 -0.362 1
1 1093 . 20 1 1 A 94 94 LEU CA C 94 57.861 57.907 -0.046 1
1 1094 . 20 1 1 A 94 94 LEU CB C 94 42.356 41.759 0.597 1
1 1098 . 20 1 1 A 94 94 LEU N N 94 121.223 119.213 2.010 1
1 1099 . 20 1 1 A 95 95 LEU H H 95 8.954 8.318 0.636 1
1 1100 . 20 1 1 A 95 95 LEU HA H 95 4.037 3.835 0.202 1
1 1110 . 20 1 1 A 95 95 LEU C C 95 180.858 179.079 1.779 1
1 1111 . 20 1 1 A 95 95 LEU CA C 95 58.194 58.137 0.057 1
1 1112 . 20 1 1 A 95 95 LEU CB C 95 41.286 41.630 -0.344 1
1 1116 . 20 1 1 A 95 95 LEU N N 95 118.177 118.064 0.113 1
1 1117 . 20 1 1 A 96 96 ASN H H 96 8.235 8.444 -0.209 1
1 1118 . 20 1 1 A 96 96 ASN HA H 96 4.445 4.425 0.020 1
1 1123 . 20 1 1 A 96 96 ASN C C 96 177.901 177.374 0.527 1
1 1124 . 20 1 1 A 96 96 ASN CA C 96 56.347 56.964 -0.617 1
1 1125 . 20 1 1 A 96 96 ASN CB C 96 38.105 39.601 -1.496 1
1 1126 . 20 1 1 A 96 96 ASN N N 96 117.502 117.066 0.436 1
1 1128 . 20 1 1 A 97 97 ALA H H 97 7.756 7.623 0.133 1
1 1129 . 20 1 1 A 97 97 ALA HA H 97 4.305 4.191 0.114 1
1 1133 . 20 1 1 A 97 97 ALA C C 97 180.315 180.241 0.074 1
1 1134 . 20 1 1 A 97 97 ALA CA C 97 54.906 54.957 -0.051 1
1 1135 . 20 1 1 A 97 97 ALA CB C 97 19.214 18.396 0.818 1
1 1136 . 20 1 1 A 97 97 ALA N N 97 123.457 121.844 1.613 1
1 1137 . 20 1 1 A 98 98 LEU H H 98 8.335 8.110 0.225 1
1 1138 . 20 1 1 A 98 98 LEU HA H 98 4.055 4.032 0.023 1
1 1148 . 20 1 1 A 98 98 LEU C C 98 179.542 179.916 -0.374 1
1 1149 . 20 1 1 A 98 98 LEU CA C 98 57.578 57.670 -0.092 1
1 1150 . 20 1 1 A 98 98 LEU CB C 98 42.174 40.872 1.302 1
1 1154 . 20 1 1 A 98 98 LEU N N 98 119.610 119.219 0.391 1
1 1155 . 20 1 1 A 99 99 LYS H H 99 7.969 7.841 0.128 1
1 1156 . 20 1 1 A 99 99 LYS HA H 99 4.203 4.050 0.153 1
1 1165 . 20 1 1 A 99 99 LYS C C 99 178.392 178.642 -0.250 1
1 1166 . 20 1 1 A 99 99 LYS CA C 99 58.563 59.639 -1.076 1
1 1167 . 20 1 1 A 99 99 LYS CB C 99 32.267 32.589 -0.322 1
1 1171 . 20 1 1 A 99 99 LYS N N 99 119.323 119.922 -0.599 1
1 1172 . 20 1 1 A 100 100 SER H H 100 7.854 7.664 0.190 1
1 1173 . 20 1 1 A 100 100 SER HA H 100 4.404 4.120 0.284 1
1 1176 . 20 1 1 A 100 100 SER C C 100 175.449 176.620 -1.171 1
1 1177 . 20 1 1 A 100 100 SER CA C 100 60.076 61.613 -1.537 1
1 1178 . 20 1 1 A 100 100 SER CB C 100 63.600 63.066 0.534 1
1 1179 . 20 1 1 A 100 100 SER N N 100 114.116 114.175 -0.059 1
1 1180 . 20 1 1 A 101 101 GLN H H 101 7.863 8.573 -0.710 1
1 1181 . 20 1 1 A 101 101 GLN HA H 101 4.294 4.183 0.111 1
1 1188 . 20 1 1 A 101 101 GLN C C 101 176.613 175.994 0.619 1
1 1189 . 20 1 1 A 101 101 GLN CA C 101 57.121 58.271 -1.150 1
1 1190 . 20 1 1 A 101 101 GLN CB C 101 29.761 28.342 1.419 1
1 1192 . 20 1 1 A 101 101 GLN N N 101 120.923 118.676 2.247 1
1 1194 . 20 1 1 A 102 102 SER H H 102 8.170 7.331 0.839 1
1 1195 . 20 1 1 A 102 102 SER HA H 102 4.445 4.443 0.002 1
1 1198 . 20 1 1 A 102 102 SER C C 102 175.030 173.396 1.634 1
1 1199 . 20 1 1 A 102 102 SER CA C 102 59.162 57.834 1.328 1
1 1200 . 20 1 1 A 102 102 SER CB C 102 63.466 63.056 0.410 1
1 1201 . 20 1 1 A 102 102 SER N N 102 115.689 116.338 -0.649 1
1 1202 . 20 1 1 A 103 103 LEU H H 103 8.111 8.195 -0.084 1
1 1203 . 20 1 1 A 103 103 LEU HA H 103 4.400 4.849 -0.449 1
1 1213 . 20 1 1 A 103 103 LEU C C 103 178.263 174.770 3.493 1
1 1214 . 20 1 1 A 103 103 LEU CA C 103 55.908 53.806 2.102 1
1 1215 . 20 1 1 A 103 103 LEU CB C 103 42.215 46.900 -4.685 1
1 1219 . 20 1 1 A 103 103 LEU N N 103 123.252 128.673 -5.421 1
1 1220 . 20 1 1 A 104 104 THR H H 104 8.064 8.481 -0.417 1
1 1221 . 20 1 1 A 104 104 THR HA H 104 4.354 4.817 -0.463 1
1 1226 . 20 1 1 A 104 104 THR C C 104 175.092 175.448 -0.356 1
1 1227 . 20 1 1 A 104 104 THR CA C 104 62.368 59.577 2.791 1
1 1228 . 20 1 1 A 104 104 THR CB C 104 69.673 71.038 -1.365 1
1 1230 . 20 1 1 A 104 104 THR N N 104 113.441 115.466 -2.025 1
1 1231 . 20 1 1 A 105 105 SER H H 105 8.231 9.164 -0.933 1
1 1232 . 20 1 1 A 105 105 SER C C 105 177.959 175.572 2.387 1
1 1233 . 20 1 1 A 105 105 SER CA C 105 58.406 62.428 -4.022 1
1 1234 . 20 1 1 A 105 105 SER CB C 105 63.507 63.069 0.438 1
1 1235 . 20 1 1 A 105 105 SER N N 105 117.638 120.107 -2.469 1
1 1236 . 20 1 1 A 106 106 GLN HA H 106 4.365 4.336 0.029 1
1 1239 . 20 1 1 A 106 106 GLN C C 106 176.322 174.572 1.750 1
1 1240 . 20 1 1 A 106 106 GLN CA C 106 56.189 57.117 -0.928 1
1 1241 . 20 1 1 A 106 106 GLN CB C 106 29.226 29.212 0.014 1
1 1243 . 20 1 1 A 107 107 SER H H 107 8.287 8.671 -0.384 1
1 1244 . 20 1 1 A 107 107 SER HA H 107 4.404 5.363 -0.959 1
1 1246 . 20 1 1 A 107 107 SER C C 107 174.687 172.949 1.738 1
1 1247 . 20 1 1 A 107 107 SER CA C 107 58.722 56.532 2.190 1
1 1248 . 20 1 1 A 107 107 SER CB C 107 63.713 64.865 -1.152 1
1 1249 . 20 1 1 A 107 107 SER N N 107 116.578 117.723 -1.145 1
1 1250 . 20 1 1 A 108 108 GLN H H 108 8.354 8.593 -0.239 1
1 1251 . 20 1 1 A 108 108 GLN HA H 108 4.349 4.681 -0.332 1
1 1258 . 20 1 1 A 108 108 GLN C C 108 175.798 173.431 2.367 1
1 1259 . 20 1 1 A 108 108 GLN CA C 108 55.820 55.568 0.252 1
1 1260 . 20 1 1 A 108 108 GLN CB C 108 29.432 33.195 -3.763 1
1 1262 . 20 1 1 A 108 108 GLN N N 108 122.015 125.387 -3.372 1
1 1264 . 20 1 1 A 109 109 ALA H H 109 8.301 8.535 -0.234 1
1 1265 . 20 1 1 A 109 109 ALA HA H 109 4.345 4.950 -0.605 1
1 1269 . 20 1 1 A 109 109 ALA C C 109 177.749 176.454 1.295 1
1 1270 . 20 1 1 A 109 109 ALA CA C 109 52.672 50.504 2.168 1
1 1271 . 20 1 1 A 109 109 ALA CB C 109 19.237 20.501 -1.264 1
1 1272 . 20 1 1 A 109 109 ALA N N 109 125.243 127.232 -1.989 1
1 1273 . 20 1 1 A 110 110 SER H H 110 8.290 8.644 -0.354 1
1 1274 . 20 1 1 A 110 110 SER HA H 110 4.459 4.586 -0.127 1
1 1277 . 20 1 1 A 110 110 SER C C 110 174.593 174.832 -0.239 1
1 1278 . 20 1 1 A 110 110 SER CA C 110 58.248 60.339 -2.091 1
1 1279 . 20 1 1 A 110 110 SER CB C 110 63.918 64.665 -0.747 1
1 1280 . 20 1 1 A 110 110 SER N N 110 115.148 118.796 -3.648 1
1 1281 . 20 1 1 A 111 111 GLY H H 111 8.199 8.052 0.147 1
1 1282 . 20 1 1 A 111 111 GLY HA2 H 111 4.167 4.033 0.134 1
1 1283 . 20 1 1 A 111 111 GLY HA3 H 111 4.094 4.033 0.061 1
1 1284 . 20 1 1 A 111 111 GLY C C 111 171.782 174.209 -2.427 1
1 1285 . 20 1 1 A 111 111 GLY CA C 111 44.652 45.566 -0.914 1
1 1286 . 20 1 1 A 111 111 GLY N N 111 110.586 108.198 2.388 1
1 1287 . 20 1 1 A 112 112 PRO HA H 112 4.471 4.443 0.028 1
1 1294 . 20 1 1 A 112 112 PRO CA C 112 63.154 64.673 -1.519 1
1 1295 . 20 1 1 A 112 112 PRO CB C 112 32.314 32.106 0.208 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 92 1.147 1
2 1 1 1 "RMS(OBS, PRED)" CA 100 1.375 1
3 1 1 1 "RMS(OBS, PRED)" CB 96 1.329 1
4 1 1 1 "RMS(OBS, PRED)" H 96 0.574 1
5 1 1 1 "RMS(OBS, PRED)" HA 106 0.354 1
6 1 1 1 "RMS(OBS, PRED)" N 90 3.116 1
7 1 2 1 "RMS(OBS, PRED)" C 92 1.298 1
8 1 2 1 "RMS(OBS, PRED)" CA 100 1.387 1
9 1 2 1 "RMS(OBS, PRED)" CB 96 1.502 1
10 1 2 1 "RMS(OBS, PRED)" H 96 0.534 1
11 1 2 1 "RMS(OBS, PRED)" HA 106 0.378 1
12 1 2 1 "RMS(OBS, PRED)" N 90 2.854 1
13 1 3 1 "RMS(OBS, PRED)" C 92 1.155 1
14 1 3 1 "RMS(OBS, PRED)" CA 100 1.370 1
15 1 3 1 "RMS(OBS, PRED)" CB 96 1.288 1
16 1 3 1 "RMS(OBS, PRED)" H 96 0.591 1
17 1 3 1 "RMS(OBS, PRED)" HA 106 0.345 1
18 1 3 1 "RMS(OBS, PRED)" N 90 2.802 1
19 1 4 1 "RMS(OBS, PRED)" C 92 1.170 1
20 1 4 1 "RMS(OBS, PRED)" CA 100 1.125 1
21 1 4 1 "RMS(OBS, PRED)" CB 96 1.282 1
22 1 4 1 "RMS(OBS, PRED)" H 96 0.601 1
23 1 4 1 "RMS(OBS, PRED)" HA 106 0.317 1
24 1 4 1 "RMS(OBS, PRED)" N 90 2.884 1
25 1 5 1 "RMS(OBS, PRED)" C 92 1.176 1
26 1 5 1 "RMS(OBS, PRED)" CA 100 1.379 1
27 1 5 1 "RMS(OBS, PRED)" CB 96 1.376 1
28 1 5 1 "RMS(OBS, PRED)" H 96 0.559 1
29 1 5 1 "RMS(OBS, PRED)" HA 106 0.330 1
30 1 5 1 "RMS(OBS, PRED)" N 90 2.870 1
31 1 6 1 "RMS(OBS, PRED)" C 92 1.261 1
32 1 6 1 "RMS(OBS, PRED)" CA 100 1.381 1
33 1 6 1 "RMS(OBS, PRED)" CB 96 1.364 1
34 1 6 1 "RMS(OBS, PRED)" H 96 0.585 1
35 1 6 1 "RMS(OBS, PRED)" HA 106 0.330 1
36 1 6 1 "RMS(OBS, PRED)" N 90 3.013 1
37 1 7 1 "RMS(OBS, PRED)" C 92 1.258 1
38 1 7 1 "RMS(OBS, PRED)" CA 100 1.387 1
39 1 7 1 "RMS(OBS, PRED)" CB 96 1.515 1
40 1 7 1 "RMS(OBS, PRED)" H 96 0.607 1
41 1 7 1 "RMS(OBS, PRED)" HA 106 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 90 3.145 1
43 1 8 1 "RMS(OBS, PRED)" C 92 1.147 1
44 1 8 1 "RMS(OBS, PRED)" CA 100 1.468 1
45 1 8 1 "RMS(OBS, PRED)" CB 96 1.436 1
46 1 8 1 "RMS(OBS, PRED)" H 96 0.577 1
47 1 8 1 "RMS(OBS, PRED)" HA 106 0.346 1
48 1 8 1 "RMS(OBS, PRED)" N 90 2.741 1
49 1 9 1 "RMS(OBS, PRED)" C 92 1.285 1
50 1 9 1 "RMS(OBS, PRED)" CA 100 1.490 1
51 1 9 1 "RMS(OBS, PRED)" CB 96 1.374 1
52 1 9 1 "RMS(OBS, PRED)" H 96 0.607 1
53 1 9 1 "RMS(OBS, PRED)" HA 106 0.343 1
54 1 9 1 "RMS(OBS, PRED)" N 90 2.613 1
55 1 10 1 "RMS(OBS, PRED)" C 92 1.268 1
56 1 10 1 "RMS(OBS, PRED)" CA 100 1.096 1
57 1 10 1 "RMS(OBS, PRED)" CB 96 1.508 1
58 1 10 1 "RMS(OBS, PRED)" H 96 0.554 1
59 1 10 1 "RMS(OBS, PRED)" HA 106 0.348 1
60 1 10 1 "RMS(OBS, PRED)" N 90 3.012 1
61 1 11 1 "RMS(OBS, PRED)" C 92 1.202 1
62 1 11 1 "RMS(OBS, PRED)" CA 100 1.385 1
63 1 11 1 "RMS(OBS, PRED)" CB 96 1.343 1
64 1 11 1 "RMS(OBS, PRED)" H 96 0.556 1
65 1 11 1 "RMS(OBS, PRED)" HA 106 0.348 1
66 1 11 1 "RMS(OBS, PRED)" N 90 3.090 1
67 1 12 1 "RMS(OBS, PRED)" C 92 1.246 1
68 1 12 1 "RMS(OBS, PRED)" CA 100 1.388 1
69 1 12 1 "RMS(OBS, PRED)" CB 96 1.293 1
70 1 12 1 "RMS(OBS, PRED)" H 96 0.556 1
71 1 12 1 "RMS(OBS, PRED)" HA 106 0.359 1
72 1 12 1 "RMS(OBS, PRED)" N 90 2.621 1
73 1 13 1 "RMS(OBS, PRED)" C 92 1.258 1
74 1 13 1 "RMS(OBS, PRED)" CA 100 1.436 1
75 1 13 1 "RMS(OBS, PRED)" CB 96 1.422 1
76 1 13 1 "RMS(OBS, PRED)" H 96 0.597 1
77 1 13 1 "RMS(OBS, PRED)" HA 106 0.332 1
78 1 13 1 "RMS(OBS, PRED)" N 90 2.749 1
79 1 14 1 "RMS(OBS, PRED)" C 92 1.203 1
80 1 14 1 "RMS(OBS, PRED)" CA 100 1.092 1
81 1 14 1 "RMS(OBS, PRED)" CB 96 1.372 1
82 1 14 1 "RMS(OBS, PRED)" H 96 0.592 1
83 1 14 1 "RMS(OBS, PRED)" HA 106 0.356 1
84 1 14 1 "RMS(OBS, PRED)" N 90 2.961 1
85 1 15 1 "RMS(OBS, PRED)" C 92 1.155 1
86 1 15 1 "RMS(OBS, PRED)" CA 100 1.174 1
87 1 15 1 "RMS(OBS, PRED)" CB 96 1.266 1
88 1 15 1 "RMS(OBS, PRED)" H 96 0.562 1
89 1 15 1 "RMS(OBS, PRED)" HA 106 0.342 1
90 1 15 1 "RMS(OBS, PRED)" N 90 2.827 1
91 1 16 1 "RMS(OBS, PRED)" C 92 1.118 1
92 1 16 1 "RMS(OBS, PRED)" CA 100 1.412 1
93 1 16 1 "RMS(OBS, PRED)" CB 96 1.258 1
94 1 16 1 "RMS(OBS, PRED)" H 96 0.595 1
95 1 16 1 "RMS(OBS, PRED)" HA 106 0.310 1
96 1 16 1 "RMS(OBS, PRED)" N 90 2.945 1
97 1 17 1 "RMS(OBS, PRED)" C 92 1.160 1
98 1 17 1 "RMS(OBS, PRED)" CA 100 1.261 1
99 1 17 1 "RMS(OBS, PRED)" CB 96 1.479 1
100 1 17 1 "RMS(OBS, PRED)" H 96 0.591 1
101 1 17 1 "RMS(OBS, PRED)" HA 106 0.362 1
102 1 17 1 "RMS(OBS, PRED)" N 90 2.925 1
103 1 18 1 "RMS(OBS, PRED)" C 92 1.287 1
104 1 18 1 "RMS(OBS, PRED)" CA 100 1.217 1
105 1 18 1 "RMS(OBS, PRED)" CB 96 1.411 1
106 1 18 1 "RMS(OBS, PRED)" H 96 0.664 1
107 1 18 1 "RMS(OBS, PRED)" HA 106 0.349 1
108 1 18 1 "RMS(OBS, PRED)" N 90 3.502 1
109 1 19 1 "RMS(OBS, PRED)" C 92 1.188 1
110 1 19 1 "RMS(OBS, PRED)" CA 100 1.522 1
111 1 19 1 "RMS(OBS, PRED)" CB 96 1.346 1
112 1 19 1 "RMS(OBS, PRED)" H 96 0.568 1
113 1 19 1 "RMS(OBS, PRED)" HA 106 0.354 1
114 1 19 1 "RMS(OBS, PRED)" N 90 2.795 1
115 1 20 1 "RMS(OBS, PRED)" C 92 1.204 1
116 1 20 1 "RMS(OBS, PRED)" CA 100 1.442 1
117 1 20 1 "RMS(OBS, PRED)" CB 96 1.401 1
118 1 20 1 "RMS(OBS, PRED)" H 96 0.568 1
119 1 20 1 "RMS(OBS, PRED)" HA 106 0.365 1
120 1 20 1 "RMS(OBS, PRED)" N 90 2.769 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 H H 7 9.055 8.547 0.508 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.908 4.076 -0.168 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 3.968 4.087 -0.119 2
1 4 . 1 1 A 7 7 GLY C C 7 173.671 174.349 -0.678 2
1 5 . 1 1 A 7 7 GLY CA C 7 45.421 45.148 0.273 2
1 6 . 1 1 A 8 8 LYS H H 8 8.145 8.453 -0.307 2
1 7 . 1 1 A 8 8 LYS HA H 8 4.345 4.455 -0.110 2
1 16 . 1 1 A 8 8 LYS C C 8 175.255 175.949 -0.694 2
1 17 . 1 1 A 8 8 LYS CA C 8 56.330 56.260 0.070 2
1 18 . 1 1 A 8 8 LYS CB C 8 33.583 33.096 0.487 2
1 22 . 1 1 A 8 8 LYS N N 8 120.101 121.272 -1.171 2
1 23 . 1 1 A 9 9 VAL H H 9 7.579 7.468 0.111 2
1 24 . 1 1 A 9 9 VAL HA H 9 4.473 4.995 -0.522 2
1 32 . 1 1 A 9 9 VAL C C 9 174.860 174.360 0.500 2
1 33 . 1 1 A 9 9 VAL CA C 9 59.989 58.572 1.417 2
1 34 . 1 1 A 9 9 VAL CB C 9 34.218 36.298 -2.080 2
1 37 . 1 1 A 9 9 VAL N N 9 114.437 116.556 -2.119 2
1 38 . 1 1 A 10 10 LYS H H 10 8.236 8.562 -0.326 2
1 39 . 1 1 A 10 10 LYS HA H 10 4.345 4.577 -0.232 2
1 48 . 1 1 A 10 10 LYS C C 10 172.963 174.187 -1.224 2
1 49 . 1 1 A 10 10 LYS CA C 10 56.096 55.663 0.433 2
1 50 . 1 1 A 10 10 LYS CB C 10 36.131 35.979 0.152 2
1 54 . 1 1 A 10 10 LYS N N 10 122.938 121.815 1.123 2
1 55 . 1 1 A 11 11 SER H H 11 8.168 8.511 -0.343 2
1 56 . 1 1 A 11 11 SER HA H 11 5.669 5.399 0.270 2
1 59 . 1 1 A 11 11 SER C C 11 173.281 173.010 0.271 2
1 60 . 1 1 A 11 11 SER CA C 11 55.960 57.053 -1.093 2
1 61 . 1 1 A 11 11 SER CB C 11 66.326 66.161 0.165 2
1 62 . 1 1 A 11 11 SER N N 11 119.068 118.089 0.979 2
1 63 . 1 1 A 12 12 GLY H H 12 8.248 7.709 0.539 2
1 64 . 1 1 A 12 12 GLY HA2 H 12 4.168 3.888 0.280 2
1 65 . 1 1 A 12 12 GLY HA3 H 12 3.478 4.181 -0.703 2
1 66 . 1 1 A 12 12 GLY C C 12 170.778 171.498 -0.720 2
1 67 . 1 1 A 12 12 GLY CA C 12 45.654 45.517 0.137 2
1 68 . 1 1 A 12 12 GLY N N 12 108.756 108.334 0.422 2
1 69 . 1 1 A 13 13 TRP H H 13 8.622 8.597 0.025 2
1 70 . 1 1 A 13 13 TRP HA H 13 5.398 4.874 0.524 2
1 79 . 1 1 A 13 13 TRP C C 13 177.511 176.078 1.433 2
1 80 . 1 1 A 13 13 TRP CA C 13 57.069 57.884 -0.815 2
1 81 . 1 1 A 13 13 TRP CB C 13 30.295 29.517 0.778 2
1 87 . 1 1 A 13 13 TRP N N 13 119.518 121.312 -1.794 2
1 89 . 1 1 A 14 14 LEU H H 14 9.524 8.751 0.773 2
1 90 . 1 1 A 14 14 LEU HA H 14 4.791 5.090 -0.299 2
1 100 . 1 1 A 14 14 LEU C C 14 175.381 175.568 -0.187 2
1 101 . 1 1 A 14 14 LEU CA C 14 54.096 53.309 0.787 2
1 102 . 1 1 A 14 14 LEU CB C 14 47.682 44.478 3.204 2
1 106 . 1 1 A 14 14 LEU N N 14 124.165 125.732 -1.567 2
1 107 . 1 1 A 15 15 ASP H H 15 8.335 8.473 -0.138 2
1 108 . 1 1 A 15 15 ASP HA H 15 5.424 5.268 0.156 2
1 111 . 1 1 A 15 15 ASP C C 15 175.302 175.214 0.088 2
1 112 . 1 1 A 15 15 ASP CA C 15 53.252 53.657 -0.405 2
1 113 . 1 1 A 15 15 ASP CB C 15 42.420 42.046 0.374 2
1 114 . 1 1 A 15 15 ASP N N 15 120.275 123.340 -3.065 2
1 115 . 1 1 A 16 16 LYS H H 16 9.444 8.846 0.598 2
1 116 . 1 1 A 16 16 LYS HA H 16 4.781 4.725 0.056 2
1 125 . 1 1 A 16 16 LYS C C 16 176.244 175.383 0.861 2
1 126 . 1 1 A 16 16 LYS CA C 16 54.782 54.952 -0.170 2
1 127 . 1 1 A 16 16 LYS CB C 16 36.666 34.478 2.188 2
1 131 . 1 1 A 16 16 LYS N N 16 125.854 125.107 0.747 2
1 132 . 1 1 A 17 17 LEU H H 17 8.387 8.310 0.077 2
1 133 . 1 1 A 17 17 LEU HA H 17 3.476 4.221 -0.745 2
1 143 . 1 1 A 17 17 LEU C C 17 175.840 176.243 -0.403 2
1 144 . 1 1 A 17 17 LEU CA C 17 55.715 53.982 1.733 2
1 145 . 1 1 A 17 17 LEU CB C 17 41.986 41.516 0.470 2
1 149 . 1 1 A 17 17 LEU N N 17 130.736 126.872 3.864 2
1 150 . 1 1 A 18 18 SER H H 18 8.378 8.501 -0.123 2
1 151 . 1 1 A 18 18 SER HA H 18 4.563 4.446 0.117 2
1 154 . 1 1 A 18 18 SER C C 18 172.291 174.105 -1.814 2
1 155 . 1 1 A 18 18 SER CA C 18 55.697 60.834 -5.137 2
1 156 . 1 1 A 18 18 SER CB C 18 62.885 62.715 0.170 2
1 157 . 1 1 A 18 18 SER N N 18 123.037 120.854 2.183 2
1 158 . 1 1 A 19 19 PRO HA H 19 4.414 4.542 -0.128 2
1 165 . 1 1 A 19 19 PRO CA C 19 63.946 62.732 1.214 2
1 166 . 1 1 A 19 19 PRO CB C 19 32.128 32.534 -0.406 2
1 169 . 1 1 A 20 20 GLN H H 20 8.085 8.454 -0.369 2
1 170 . 1 1 A 20 20 GLN HA H 20 4.353 4.516 -0.163 2
1 175 . 1 1 A 20 20 GLN CA C 20 55.533 55.857 -0.324 2
1 176 . 1 1 A 20 20 GLN CB C 20 30.130 30.001 0.129 2
1 178 . 1 1 A 20 20 GLN N N 20 119.721 119.874 -0.153 2
1 179 . 1 1 A 22 22 LYS H H 22 8.151 8.068 0.083 2
1 180 . 1 1 A 22 22 LYS HA H 22 4.165 4.337 -0.172 2
1 185 . 1 1 A 22 22 LYS C C 22 176.016 176.268 -0.252 2
1 186 . 1 1 A 22 22 LYS CA C 22 56.717 56.328 0.389 2
1 187 . 1 1 A 22 22 LYS CB C 22 32.303 33.257 -0.954 2
1 191 . 1 1 A 23 23 ARG H H 23 8.329 8.333 -0.004 2
1 192 . 1 1 A 23 23 ARG HA H 23 3.937 4.380 -0.443 2
1 199 . 1 1 A 23 23 ARG C C 23 174.937 175.480 -0.543 2
1 200 . 1 1 A 23 23 ARG CA C 23 56.436 56.376 0.060 2
1 201 . 1 1 A 23 23 ARG CB C 23 29.144 30.915 -1.771 2
1 204 . 1 1 A 23 23 ARG N N 23 119.006 121.444 -2.438 2
1 205 . 1 1 A 24 24 MET H H 24 7.965 8.127 -0.162 2
1 206 . 1 1 A 24 24 MET HA H 24 4.492 4.716 -0.224 2
1 209 . 1 1 A 24 24 MET C C 24 174.737 175.007 -0.270 2
1 210 . 1 1 A 24 24 MET CA C 24 55.134 55.005 0.129 2
1 211 . 1 1 A 24 24 MET CB C 24 33.665 34.870 -1.205 2
1 213 . 1 1 A 24 24 MET N N 24 120.460 119.831 0.629 2
1 214 . 1 1 A 25 25 PHE H H 25 8.593 8.490 0.103 2
1 215 . 1 1 A 25 25 PHE HA H 25 4.788 4.894 -0.106 2
1 223 . 1 1 A 25 25 PHE C C 25 175.712 175.065 0.647 2
1 224 . 1 1 A 25 25 PHE CA C 25 57.421 57.505 -0.084 2
1 225 . 1 1 A 25 25 PHE CB C 25 41.890 41.446 0.444 2
1 231 . 1 1 A 25 25 PHE N N 25 121.330 121.017 0.313 2
1 232 . 1 1 A 26 26 GLN H H 26 8.758 8.738 0.020 2
1 233 . 1 1 A 26 26 GLN HA H 26 4.777 4.863 -0.086 2
1 240 . 1 1 A 26 26 GLN C C 26 175.149 174.765 0.384 2
1 241 . 1 1 A 26 26 GLN CA C 26 53.991 54.830 -0.839 2
1 242 . 1 1 A 26 26 GLN CB C 26 32.144 31.090 1.054 2
1 244 . 1 1 A 26 26 GLN N N 26 119.081 120.951 -1.870 2
1 246 . 1 1 A 27 27 LYS H H 27 8.913 8.716 0.197 2
1 247 . 1 1 A 27 27 LYS HA H 27 4.933 4.849 0.084 2
1 256 . 1 1 A 27 27 LYS C C 27 177.786 175.421 2.365 2
1 257 . 1 1 A 27 27 LYS CA C 27 57.843 56.196 1.647 2
1 258 . 1 1 A 27 27 LYS CB C 27 32.720 33.776 -1.056 2
1 262 . 1 1 A 27 27 LYS N N 27 126.903 125.573 1.330 2
1 263 . 1 1 A 28 28 ARG H H 28 9.847 8.789 1.058 2
1 264 . 1 1 A 28 28 ARG HA H 28 5.236 5.183 0.053 2
1 271 . 1 1 A 28 28 ARG C C 28 173.319 175.088 -1.769 2
1 272 . 1 1 A 28 28 ARG CA C 28 53.481 54.637 -1.156 2
1 273 . 1 1 A 28 28 ARG CB C 28 34.405 34.026 0.379 2
1 276 . 1 1 A 28 28 ARG N N 28 127.032 125.385 1.647 2
1 277 . 1 1 A 29 29 TRP H H 29 8.408 8.709 -0.301 2
1 278 . 1 1 A 29 29 TRP HA H 29 4.424 4.494 -0.070 2
1 285 . 1 1 A 29 29 TRP C C 29 174.606 175.022 -0.416 2
1 286 . 1 1 A 29 29 TRP CA C 29 56.383 58.046 -1.663 2
1 287 . 1 1 A 29 29 TRP CB C 29 29.226 29.857 -0.631 2
1 292 . 1 1 A 29 29 TRP N N 29 124.511 126.183 -1.672 2
1 293 . 1 1 A 30 30 VAL H H 30 8.464 7.827 0.637 2
1 294 . 1 1 A 30 30 VAL HA H 30 4.736 4.788 -0.052 2
1 302 . 1 1 A 30 30 VAL C C 30 172.903 174.378 -1.475 2
1 303 . 1 1 A 30 30 VAL CA C 30 61.219 60.256 0.963 2
1 304 . 1 1 A 30 30 VAL CB C 30 32.925 34.648 -1.723 2
1 307 . 1 1 A 30 30 VAL N N 30 129.572 127.052 2.520 2
1 308 . 1 1 A 31 31 LYS H H 31 9.125 8.460 0.665 2
1 309 . 1 1 A 31 31 LYS HA H 31 5.095 4.990 0.105 2
1 318 . 1 1 A 31 31 LYS C C 31 175.396 174.157 1.239 2
1 319 . 1 1 A 31 31 LYS CA C 31 54.677 55.229 -0.552 2
1 320 . 1 1 A 31 31 LYS CB C 31 37.036 36.475 0.561 2
1 324 . 1 1 A 31 31 LYS N N 31 124.358 126.391 -2.033 2
1 325 . 1 1 A 32 32 PHE H H 32 9.725 8.989 0.736 2
1 326 . 1 1 A 32 32 PHE HA H 32 5.905 5.215 0.690 2
1 334 . 1 1 A 32 32 PHE C C 32 174.555 174.485 0.070 2
1 335 . 1 1 A 32 32 PHE CA C 32 56.224 56.390 -0.166 2
1 336 . 1 1 A 32 32 PHE CB C 32 41.804 42.207 -0.403 2
1 342 . 1 1 A 32 32 PHE N N 32 125.979 127.615 -1.636 2
1 343 . 1 1 A 33 33 ASP H H 33 7.884 8.276 -0.392 2
1 344 . 1 1 A 33 33 ASP HA H 33 4.555 4.656 -0.101 2
1 347 . 1 1 A 33 33 ASP C C 33 175.730 175.932 -0.202 2
1 348 . 1 1 A 33 33 ASP CA C 33 52.602 53.611 -1.009 2
1 349 . 1 1 A 33 33 ASP CB C 33 41.686 41.870 -0.184 2
1 350 . 1 1 A 33 33 ASP N N 33 126.924 126.048 0.876 2
1 351 . 1 1 A 34 34 GLY H H 34 4.680 6.524 -1.844 2
1 352 . 1 1 A 34 34 GLY HA2 H 34 4.252 3.347 0.905 2
1 353 . 1 1 A 34 34 GLY HA3 H 34 3.023 3.703 -0.680 2
1 354 . 1 1 A 34 34 GLY C C 34 172.363 175.259 -2.896 2
1 355 . 1 1 A 34 34 GLY CA C 34 45.672 44.844 0.828 2
1 356 . 1 1 A 35 35 LEU H H 35 8.148 7.855 0.293 2
1 357 . 1 1 A 35 35 LEU HA H 35 4.623 4.278 0.345 2
1 367 . 1 1 A 35 35 LEU C C 35 177.783 176.766 1.017 2
1 368 . 1 1 A 35 35 LEU CA C 35 55.978 56.451 -0.473 2
1 369 . 1 1 A 35 35 LEU CB C 35 44.352 42.898 1.454 2
1 373 . 1 1 A 35 35 LEU N N 35 120.632 120.039 0.593 2
1 374 . 1 1 A 36 36 SER H H 36 9.064 7.825 1.239 2
1 375 . 1 1 A 36 36 SER HA H 36 5.059 5.083 -0.024 2
1 378 . 1 1 A 36 36 SER C C 36 173.878 172.541 1.337 2
1 379 . 1 1 A 36 36 SER CA C 36 57.667 57.585 0.082 2
1 380 . 1 1 A 36 36 SER CB C 36 66.140 66.853 -0.713 2
1 381 . 1 1 A 36 36 SER N N 36 115.030 110.304 4.726 2
1 382 . 1 1 A 37 37 ILE H H 37 8.981 9.131 -0.150 2
1 383 . 1 1 A 37 37 ILE HA H 37 5.055 5.054 0.001 2
1 393 . 1 1 A 37 37 ILE C C 37 174.995 174.771 0.224 2
1 394 . 1 1 A 37 37 ILE CA C 37 61.061 60.740 0.321 2
1 395 . 1 1 A 37 37 ILE CB C 37 39.355 38.916 0.439 2
1 399 . 1 1 A 37 37 ILE N N 37 122.186 122.157 0.029 2
1 400 . 1 1 A 38 38 SER H H 38 9.422 8.847 0.575 2
1 401 . 1 1 A 38 38 SER HA H 38 5.297 5.043 0.254 2
1 404 . 1 1 A 38 38 SER C C 38 172.177 173.256 -1.079 2
1 405 . 1 1 A 38 38 SER CA C 38 56.910 57.469 -0.559 2
1 406 . 1 1 A 38 38 SER CB C 38 66.018 64.202 1.816 2
1 407 . 1 1 A 38 38 SER N N 38 122.548 124.239 -1.690 2
1 408 . 1 1 A 39 39 TYR H H 39 7.649 8.337 -0.688 2
1 409 . 1 1 A 39 39 TYR HA H 39 6.025 6.007 0.018 2
1 416 . 1 1 A 39 39 TYR C C 39 173.937 173.728 0.209 2
1 417 . 1 1 A 39 39 TYR CA C 39 54.144 55.258 -1.114 2
1 418 . 1 1 A 39 39 TYR CB C 39 41.722 41.674 0.048 2
1 423 . 1 1 A 39 39 TYR N N 39 116.176 122.370 -6.194 2
1 424 . 1 1 A 40 40 TYR H H 40 9.647 9.072 0.575 2
1 425 . 1 1 A 40 40 TYR HA H 40 5.044 5.158 -0.114 2
1 432 . 1 1 A 40 40 TYR CA C 40 56.928 56.667 0.261 2
1 433 . 1 1 A 40 40 TYR CB C 40 43.678 42.537 1.141 2
1 438 . 1 1 A 40 40 TYR N N 40 118.964 120.433 -1.469 2
1 439 . 1 1 A 41 41 ASN H H 41 7.712 8.907 -1.195 2
1 440 . 1 1 A 41 41 ASN HA H 41 4.867 5.343 -0.476 2
1 445 . 1 1 A 41 41 ASN CB C 41 39.279 40.456 -1.177 2
1 446 . 1 1 A 41 41 ASN N N 41 109.731 119.483 -9.752 2
1 448 . 1 1 A 42 42 ASN H H 42 9.215 9.019 0.196 2
1 449 . 1 1 A 42 42 ASN HA H 42 4.868 4.793 0.075 2
1 452 . 1 1 A 42 42 ASN CA C 42 52.812 54.924 -2.112 2
1 453 . 1 1 A 42 42 ASN CB C 42 39.180 38.891 0.289 2
1 458 . 1 1 A 44 44 LYS CB C 44 35.364 33.017 2.346 2
1 460 . 1 1 A 46 46 MET H H 46 8.285 8.397 -0.112 2
1 461 . 1 1 A 46 46 MET HA H 46 4.218 4.696 -0.478 2
1 466 . 1 1 A 46 46 MET CA C 46 56.523 55.324 1.199 2
1 467 . 1 1 A 46 46 MET CB C 46 33.665 34.413 -0.748 2
1 469 . 1 1 A 47 47 TYR H H 47 7.965 8.440 -0.475 2
1 470 . 1 1 A 47 47 TYR HA H 47 4.935 4.743 0.192 2
1 477 . 1 1 A 47 47 TYR CA C 47 55.861 57.702 -1.841 2
1 478 . 1 1 A 47 47 TYR CB C 47 38.476 39.349 -0.873 2
1 483 . 1 1 A 47 47 TYR N N 47 117.521 119.655 -2.134 2
1 484 . 1 1 A 49 49 LYS H H 49 8.704 8.516 0.188 2
1 485 . 1 1 A 49 49 LYS HA H 49 4.369 4.731 -0.362 2
1 494 . 1 1 A 49 49 LYS CA C 49 54.891 55.619 -0.728 2
1 495 . 1 1 A 49 49 LYS CB C 49 32.501 34.732 -2.231 2
1 499 . 1 1 A 50 50 GLY H H 50 6.985 8.299 -1.314 2
1 500 . 1 1 A 50 50 GLY HA2 H 50 3.825 3.646 0.179 2
1 501 . 1 1 A 50 50 GLY HA3 H 50 3.265 4.092 -0.827 2
1 502 . 1 1 A 50 50 GLY C C 50 170.241 172.130 -1.889 2
1 503 . 1 1 A 50 50 GLY CA C 50 45.039 45.001 0.038 2
1 504 . 1 1 A 50 50 GLY N N 50 108.097 109.501 -1.404 2
1 505 . 1 1 A 51 51 ILE H H 51 7.890 8.746 -0.856 2
1 506 . 1 1 A 51 51 ILE HA H 51 4.777 5.049 -0.272 2
1 516 . 1 1 A 51 51 ILE C C 51 175.026 173.358 1.668 2
1 517 . 1 1 A 51 51 ILE CA C 51 60.217 59.036 1.181 2
1 518 . 1 1 A 51 51 ILE CB C 51 42.388 42.035 0.353 2
1 522 . 1 1 A 51 51 ILE N N 51 117.769 123.682 -5.913 2
1 523 . 1 1 A 52 52 ILE H H 52 9.485 9.117 0.368 2
1 524 . 1 1 A 52 52 ILE HA H 52 4.533 4.727 -0.194 2
1 534 . 1 1 A 52 52 ILE C C 52 173.526 174.698 -1.172 2
1 535 . 1 1 A 52 52 ILE CA C 52 57.983 57.794 0.189 2
1 536 . 1 1 A 52 52 ILE CB C 52 40.324 39.659 0.665 2
1 540 . 1 1 A 52 52 ILE N N 52 127.899 128.318 -0.419 2
1 541 . 1 1 A 53 53 PRO HA H 53 4.501 4.833 -0.332 2
1 548 . 1 1 A 53 53 PRO C C 53 177.663 178.106 -0.443 2
1 549 . 1 1 A 53 53 PRO CA C 53 62.838 62.988 -0.150 2
1 550 . 1 1 A 53 53 PRO CB C 53 31.939 31.951 -0.012 2
1 553 . 1 1 A 54 54 LEU H H 54 8.647 8.837 -0.190 2
1 554 . 1 1 A 54 54 LEU HA H 54 3.985 4.185 -0.200 2
1 564 . 1 1 A 54 54 LEU C C 54 178.940 178.130 0.810 2
1 565 . 1 1 A 54 54 LEU CA C 54 58.371 57.908 0.463 2
1 566 . 1 1 A 54 54 LEU CB C 54 42.388 41.706 0.682 2
1 570 . 1 1 A 54 54 LEU N N 54 124.847 127.093 -2.246 2
1 571 . 1 1 A 55 55 SER H H 55 8.278 8.301 -0.023 2
1 572 . 1 1 A 55 55 SER HA H 55 4.169 4.194 -0.025 2
1 575 . 1 1 A 55 55 SER C C 55 174.956 176.912 -1.956 2
1 576 . 1 1 A 55 55 SER CA C 55 59.971 61.594 -1.623 2
1 577 . 1 1 A 55 55 SER CB C 55 62.721 62.542 0.179 2
1 578 . 1 1 A 55 55 SER N N 55 109.639 114.749 -5.110 2
1 579 . 1 1 A 56 56 ALA H H 56 7.796 8.123 -0.327 2
1 580 . 1 1 A 56 56 ALA HA H 56 4.545 4.187 0.358 2
1 584 . 1 1 A 56 56 ALA C C 56 177.505 178.735 -1.230 2
1 585 . 1 1 A 56 56 ALA CA C 56 52.022 55.402 -3.380 2
1 586 . 1 1 A 56 56 ALA CB C 56 20.240 18.335 1.905 2
1 587 . 1 1 A 56 56 ALA N N 56 123.057 122.307 0.750 2
1 588 . 1 1 A 57 57 ILE H H 57 7.664 7.295 0.369 2
1 589 . 1 1 A 57 57 ILE HA H 57 4.035 4.334 -0.299 2
1 599 . 1 1 A 57 57 ILE C C 57 175.285 176.160 -0.875 2
1 600 . 1 1 A 57 57 ILE CA C 57 62.697 62.477 0.220 2
1 601 . 1 1 A 57 57 ILE CB C 57 38.474 37.514 0.960 2
1 605 . 1 1 A 57 57 ILE N N 57 119.512 118.385 1.127 2
1 606 . 1 1 A 58 58 SER H H 58 9.364 9.146 0.218 2
1 607 . 1 1 A 58 58 SER HA H 58 4.526 4.515 0.011 2
1 610 . 1 1 A 58 58 SER C C 58 175.125 174.129 0.996 2
1 611 . 1 1 A 58 58 SER CA C 58 59.215 60.389 -1.175 2
1 612 . 1 1 A 58 58 SER CB C 58 63.590 64.169 -0.579 2
1 613 . 1 1 A 58 58 SER N N 58 122.513 123.625 -1.112 2
1 614 . 1 1 A 59 59 THR H H 59 7.502 7.491 0.011 2
1 615 . 1 1 A 59 59 THR HA H 59 4.355 4.604 -0.249 2
1 620 . 1 1 A 59 59 THR C C 59 170.784 171.841 -1.057 2
1 621 . 1 1 A 59 59 THR CA C 59 61.132 61.128 0.004 2
1 622 . 1 1 A 59 59 THR CB C 59 68.686 70.986 -2.300 2
1 624 . 1 1 A 59 59 THR N N 59 112.470 112.313 0.157 2
1 625 . 1 1 A 60 60 VAL H H 60 7.766 8.632 -0.866 2
1 626 . 1 1 A 60 60 VAL HA H 60 5.326 5.112 0.213 2
1 634 . 1 1 A 60 60 VAL C C 60 174.166 174.419 -0.254 2
1 635 . 1 1 A 60 60 VAL CA C 60 60.410 60.701 -0.291 2
1 636 . 1 1 A 60 60 VAL CB C 60 34.979 34.542 0.437 2
1 639 . 1 1 A 60 60 VAL N N 60 121.276 125.656 -4.380 2
1 640 . 1 1 A 61 61 ARG H H 61 8.941 8.818 0.124 2
1 641 . 1 1 A 61 61 ARG HA H 61 5.053 5.027 0.026 2
1 648 . 1 1 A 61 61 ARG C C 61 175.460 174.978 0.482 2
1 649 . 1 1 A 61 61 ARG CA C 61 54.166 54.257 -0.091 2
1 650 . 1 1 A 61 61 ARG CB C 61 34.000 33.874 0.126 2
1 653 . 1 1 A 61 61 ARG N N 61 121.101 123.861 -2.760 2
1 654 . 1 1 A 62 62 VAL H H 62 8.627 8.591 0.036 2
1 655 . 1 1 A 62 62 VAL HA H 62 4.195 4.501 -0.306 2
1 663 . 1 1 A 62 62 VAL C C 62 175.216 175.292 -0.076 2
1 664 . 1 1 A 62 62 VAL CA C 62 62.926 61.725 1.201 2
1 665 . 1 1 A 62 62 VAL CB C 62 33.459 32.896 0.563 2
1 668 . 1 1 A 62 62 VAL N N 62 118.451 118.871 -0.420 2
1 669 . 1 1 A 63 63 GLN H H 63 7.628 8.699 -1.071 2
1 670 . 1 1 A 63 63 GLN HA H 63 4.575 4.808 -0.233 2
1 677 . 1 1 A 63 63 GLN C C 63 174.418 176.313 -1.895 2
1 678 . 1 1 A 63 63 GLN CA C 63 55.451 54.473 0.978 2
1 679 . 1 1 A 63 63 GLN CB C 63 32.062 31.608 0.454 2
1 681 . 1 1 A 63 63 GLN N N 63 123.160 123.266 -0.106 2
1 683 . 1 1 A 64 64 GLY H H 64 8.678 8.770 -0.092 2
1 684 . 1 1 A 64 64 GLY HA2 H 64 4.025 3.901 0.124 2
1 685 . 1 1 A 64 64 GLY HA3 H 64 3.895 3.905 -0.010 2
1 686 . 1 1 A 64 64 GLY C C 64 174.592 174.010 0.582 2
1 687 . 1 1 A 64 64 GLY CA C 64 45.531 46.447 -0.916 2
1 688 . 1 1 A 64 64 GLY N N 64 112.406 112.100 0.306 2
1 689 . 1 1 A 65 65 ASP HA H 65 4.625 4.822 -0.197 2
1 692 . 1 1 A 65 65 ASP C C 65 176.902 176.297 0.605 2
1 693 . 1 1 A 65 65 ASP CA C 65 55.486 53.841 1.645 2
1 694 . 1 1 A 65 65 ASP CB C 65 40.817 42.005 -1.188 2
1 695 . 1 1 A 66 66 ASN H H 66 7.979 8.733 -0.754 2
1 696 . 1 1 A 66 66 ASN HA H 66 4.554 4.573 -0.019 2
1 701 . 1 1 A 66 66 ASN C C 66 174.456 173.848 0.608 2
1 702 . 1 1 A 66 66 ASN CA C 66 52.795 53.716 -0.921 2
1 703 . 1 1 A 66 66 ASN CB C 66 37.981 37.218 0.763 2
1 704 . 1 1 A 66 66 ASN N N 66 112.071 117.998 -5.927 2
1 706 . 1 1 A 67 67 LYS H H 67 7.476 7.672 -0.196 2
1 707 . 1 1 A 67 67 LYS HA H 67 5.914 5.070 0.844 2
1 716 . 1 1 A 67 67 LYS C C 67 177.922 175.376 2.546 2
1 717 . 1 1 A 67 67 LYS CA C 67 54.906 54.556 0.350 2
1 718 . 1 1 A 67 67 LYS CB C 67 36.707 36.959 -0.252 2
1 722 . 1 1 A 67 67 LYS N N 67 115.613 117.475 -1.862 2
1 723 . 1 1 A 68 68 PHE H H 68 9.227 8.382 0.845 2
1 724 . 1 1 A 68 68 PHE HA H 68 5.296 5.298 -0.002 2
1 732 . 1 1 A 68 68 PHE C C 68 171.230 172.163 -0.933 2
1 733 . 1 1 A 68 68 PHE CA C 68 56.576 55.870 0.706 2
1 734 . 1 1 A 68 68 PHE CB C 68 42.790 42.033 0.757 2
1 740 . 1 1 A 68 68 PHE N N 68 117.009 117.208 -0.199 2
1 741 . 1 1 A 69 69 GLU H H 69 9.527 9.149 0.378 2
1 742 . 1 1 A 69 69 GLU HA H 69 5.434 4.960 0.474 2
1 747 . 1 1 A 69 69 GLU C C 69 175.659 175.402 0.257 2
1 748 . 1 1 A 69 69 GLU CA C 69 53.429 55.061 -1.632 2
1 749 . 1 1 A 69 69 GLU CB C 69 33.460 32.416 1.044 2
1 751 . 1 1 A 69 69 GLU N N 69 119.470 120.522 -1.052 2
1 752 . 1 1 A 70 70 VAL H H 70 9.486 9.053 0.433 2
1 753 . 1 1 A 70 70 VAL HA H 70 4.486 4.621 -0.135 2
1 761 . 1 1 A 70 70 VAL C C 70 174.403 175.498 -1.095 2
1 762 . 1 1 A 70 70 VAL CA C 70 62.240 61.756 0.484 2
1 763 . 1 1 A 70 70 VAL CB C 70 33.706 32.235 1.471 2
1 766 . 1 1 A 70 70 VAL N N 70 123.935 126.803 -2.868 2
1 767 . 1 1 A 71 71 VAL H H 71 8.658 8.536 0.122 2
1 768 . 1 1 A 71 71 VAL HA H 71 4.345 4.229 0.116 2
1 776 . 1 1 A 71 71 VAL C C 71 175.524 175.666 -0.142 2
1 777 . 1 1 A 71 71 VAL CA C 71 63.365 63.139 0.226 2
1 778 . 1 1 A 71 71 VAL CB C 71 32.802 31.620 1.182 2
1 781 . 1 1 A 71 71 VAL N N 71 129.195 128.238 0.957 2
1 782 . 1 1 A 72 72 THR H H 72 8.134 8.237 -0.103 2
1 783 . 1 1 A 72 72 THR HA H 72 5.515 5.243 0.272 2
1 788 . 1 1 A 72 72 THR C C 72 174.609 175.250 -0.641 2
1 789 . 1 1 A 72 72 THR CA C 72 59.496 59.534 -0.038 2
1 790 . 1 1 A 72 72 THR CB C 72 72.139 72.020 0.119 2
1 792 . 1 1 A 72 72 THR N N 72 117.639 117.307 0.332 2
1 793 . 1 1 A 73 73 THR H H 73 8.944 9.000 -0.056 2
1 794 . 1 1 A 73 73 THR HA H 73 3.966 3.920 0.046 2
1 799 . 1 1 A 73 73 THR C C 73 175.783 175.945 -0.162 2
1 800 . 1 1 A 73 73 THR CA C 73 65.880 66.248 -0.368 2
1 801 . 1 1 A 73 73 THR CB C 73 68.604 68.922 -0.318 2
1 803 . 1 1 A 73 73 THR N N 73 114.027 117.660 -3.633 2
1 804 . 1 1 A 74 74 GLN H H 74 7.997 7.906 0.091 2
1 805 . 1 1 A 74 74 GLN HA H 74 4.350 4.211 0.139 2
1 812 . 1 1 A 74 74 GLN C C 74 175.698 175.897 -0.199 2
1 813 . 1 1 A 74 74 GLN CA C 74 56.910 58.113 -1.203 2
1 814 . 1 1 A 74 74 GLN CB C 74 30.624 29.310 1.314 2
1 816 . 1 1 A 74 74 GLN N N 74 115.670 118.491 -2.821 2
1 818 . 1 1 A 75 75 ARG H H 75 7.366 7.295 0.071 2
1 819 . 1 1 A 75 75 ARG HA H 75 4.395 4.479 -0.084 2
1 826 . 1 1 A 75 75 ARG C C 75 174.546 174.543 0.003 2
1 827 . 1 1 A 75 75 ARG CA C 75 55.802 54.906 0.896 2
1 828 . 1 1 A 75 75 ARG CB C 75 32.514 32.822 -0.308 2
1 831 . 1 1 A 75 75 ARG N N 75 115.650 114.864 0.786 2
1 832 . 1 1 A 76 76 THR H H 76 8.679 8.446 0.233 2
1 833 . 1 1 A 76 76 THR HA H 76 5.065 4.193 0.872 2
1 838 . 1 1 A 76 76 THR C C 76 173.239 173.942 -0.703 2
1 839 . 1 1 A 76 76 THR CA C 76 61.888 63.321 -1.433 2
1 840 . 1 1 A 76 76 THR CB C 76 69.878 69.816 0.062 2
1 842 . 1 1 A 76 76 THR N N 76 120.285 117.922 2.363 2
1 843 . 1 1 A 77 77 PHE H H 77 9.156 9.138 0.018 2
1 844 . 1 1 A 77 77 PHE HA H 77 4.385 5.011 -0.626 2
1 852 . 1 1 A 77 77 PHE C C 77 174.028 174.581 -0.553 2
1 853 . 1 1 A 77 77 PHE CA C 77 56.822 55.980 0.842 2
1 854 . 1 1 A 77 77 PHE CB C 77 41.640 42.750 -1.110 2
1 860 . 1 1 A 77 77 PHE N N 77 127.212 125.207 2.005 2
1 861 . 1 1 A 78 78 VAL H H 78 8.374 8.459 -0.085 2
1 862 . 1 1 A 78 78 VAL HA H 78 4.506 4.549 -0.043 2
1 870 . 1 1 A 78 78 VAL C C 78 173.264 174.549 -1.285 2
1 871 . 1 1 A 78 78 VAL CA C 78 61.730 61.140 0.590 2
1 872 . 1 1 A 78 78 VAL CB C 78 33.254 34.247 -0.993 2
1 875 . 1 1 A 78 78 VAL N N 78 123.393 120.266 3.127 2
1 876 . 1 1 A 79 79 PHE H H 79 8.458 8.244 0.214 2
1 877 . 1 1 A 79 79 PHE HA H 79 5.403 4.966 0.437 2
1 885 . 1 1 A 79 79 PHE C C 79 173.855 173.848 0.007 2
1 886 . 1 1 A 79 79 PHE CA C 79 55.151 55.790 -0.639 2
1 887 . 1 1 A 79 79 PHE CB C 79 42.913 42.346 0.567 2
1 893 . 1 1 A 79 79 PHE N N 79 123.801 125.232 -1.431 2
1 894 . 1 1 A 80 80 ARG H H 80 9.407 8.683 0.724 2
1 895 . 1 1 A 80 80 ARG HA H 80 5.134 5.013 0.122 2
1 902 . 1 1 A 80 80 ARG C C 80 174.634 175.168 -0.534 2
1 903 . 1 1 A 80 80 ARG CA C 80 54.431 54.152 0.279 2
1 904 . 1 1 A 80 80 ARG CB C 80 35.227 33.688 1.539 2
1 907 . 1 1 A 80 80 ARG N N 80 121.570 122.082 -0.512 2
1 908 . 1 1 A 81 81 VAL H H 81 8.544 8.531 0.013 2
1 909 . 1 1 A 81 81 VAL HA H 81 4.708 4.853 -0.145 2
1 917 . 1 1 A 81 81 VAL C C 81 175.050 175.743 -0.693 2
1 918 . 1 1 A 81 81 VAL CA C 81 59.602 59.471 0.131 2
1 919 . 1 1 A 81 81 VAL CB C 81 33.706 34.662 -0.956 2
1 922 . 1 1 A 81 81 VAL N N 81 122.128 120.324 1.804 2
1 923 . 1 1 A 82 82 GLU H H 82 8.549 9.025 -0.476 2
1 924 . 1 1 A 82 82 GLU HA H 82 4.132 4.456 -0.324 2
1 929 . 1 1 A 82 82 GLU C C 82 176.909 175.911 0.998 2
1 930 . 1 1 A 82 82 GLU CA C 82 58.973 57.387 1.586 2
1 931 . 1 1 A 82 82 GLU CB C 82 30.582 31.480 -0.898 2
1 933 . 1 1 A 82 82 GLU N N 82 121.776 121.298 0.478 2
1 934 . 1 1 A 83 83 LYS H H 83 7.618 7.620 -0.002 2
1 935 . 1 1 A 83 83 LYS HA H 83 4.708 4.708 0.000 2
1 944 . 1 1 A 83 83 LYS C C 83 176.665 176.533 0.132 2
1 945 . 1 1 A 83 83 LYS CA C 83 54.694 54.718 -0.024 2
1 946 . 1 1 A 83 83 LYS CB C 83 34.775 35.891 -1.116 2
1 950 . 1 1 A 83 83 LYS N N 83 115.778 117.845 -2.067 2
1 951 . 1 1 A 84 84 GLU H H 84 9.150 8.975 0.175 2
1 952 . 1 1 A 84 84 GLU HA H 84 3.953 3.952 0.001 2
1 957 . 1 1 A 84 84 GLU C C 84 178.243 178.186 0.057 2
1 958 . 1 1 A 84 84 GLU CA C 84 60.217 60.143 0.074 2
1 959 . 1 1 A 84 84 GLU CB C 84 29.843 29.500 0.343 2
1 961 . 1 1 A 84 84 GLU N N 84 127.798 123.932 3.866 2
1 962 . 1 1 A 85 85 GLU H H 85 9.626 8.318 1.308 2
1 963 . 1 1 A 85 85 GLU HA H 85 4.100 4.026 0.074 2
1 968 . 1 1 A 85 85 GLU C C 85 178.948 179.104 -0.156 2
1 969 . 1 1 A 85 85 GLU CA C 85 59.847 59.456 0.391 2
1 970 . 1 1 A 85 85 GLU CB C 85 28.897 29.233 -0.336 2
1 972 . 1 1 A 85 85 GLU N N 85 117.844 118.434 -0.590 2
1 973 . 1 1 A 86 86 GLU H H 86 7.257 8.438 -1.181 2
1 974 . 1 1 A 86 86 GLU HA H 86 4.365 4.017 0.348 2
1 979 . 1 1 A 86 86 GLU C C 86 178.607 179.121 -0.514 2
1 980 . 1 1 A 86 86 GLU CA C 86 58.089 59.357 -1.268 2
1 981 . 1 1 A 86 86 GLU CB C 86 30.212 29.406 0.806 2
1 983 . 1 1 A 86 86 GLU N N 86 118.075 119.821 -1.746 2
1 984 . 1 1 A 87 87 ARG H H 87 7.919 7.801 0.118 2
1 985 . 1 1 A 87 87 ARG HA H 87 3.838 4.020 -0.182 2
1 992 . 1 1 A 87 87 ARG C C 87 177.977 178.633 -0.656 2
1 993 . 1 1 A 87 87 ARG CA C 87 60.815 59.391 1.424 2
1 994 . 1 1 A 87 87 ARG CB C 87 28.856 30.072 -1.216 2
1 997 . 1 1 A 87 87 ARG N N 87 121.287 120.831 0.456 2
1 998 . 1 1 A 88 88 ASN H H 88 8.421 7.952 0.469 2
1 999 . 1 1 A 88 88 ASN HA H 88 4.295 4.471 -0.176 2
1 1004 . 1 1 A 88 88 ASN C C 88 177.423 177.532 -0.109 2
1 1005 . 1 1 A 88 88 ASN CA C 88 55.627 56.185 -0.558 2
1 1006 . 1 1 A 88 88 ASN CB C 88 37.136 38.029 -0.893 2
1 1007 . 1 1 A 88 88 ASN N N 88 116.926 116.826 0.100 2
1 1009 . 1 1 A 89 89 ASP H H 89 7.790 8.137 -0.347 2
1 1010 . 1 1 A 89 89 ASP HA H 89 4.389 4.215 0.174 2
1 1013 . 1 1 A 89 89 ASP C C 89 177.683 178.499 -0.816 2
1 1014 . 1 1 A 89 89 ASP CA C 89 57.737 57.240 0.497 2
1 1015 . 1 1 A 89 89 ASP CB C 89 41.352 40.595 0.757 2
1 1016 . 1 1 A 89 89 ASP N N 89 121.867 119.046 2.821 2
1 1017 . 1 1 A 90 90 TRP H H 90 7.690 8.275 -0.585 2
1 1018 . 1 1 A 90 90 TRP HA H 90 3.666 4.210 -0.544 2
1 1027 . 1 1 A 90 90 TRP C C 90 177.880 178.580 -0.700 2
1 1028 . 1 1 A 90 90 TRP CA C 90 61.704 59.705 1.999 2
1 1029 . 1 1 A 90 90 TRP CB C 90 29.594 29.206 0.388 2
1 1035 . 1 1 A 90 90 TRP N N 90 117.617 119.476 -1.859 2
1 1037 . 1 1 A 91 91 ILE H H 91 7.654 7.883 -0.229 2
1 1038 . 1 1 A 91 91 ILE HA H 91 3.275 3.561 -0.286 2
1 1048 . 1 1 A 91 91 ILE C C 91 177.138 177.940 -0.802 2
1 1049 . 1 1 A 91 91 ILE CA C 91 65.001 65.305 -0.304 2
1 1050 . 1 1 A 91 91 ILE CB C 91 36.913 37.570 -0.657 2
1 1054 . 1 1 A 91 91 ILE N N 91 114.248 120.287 -6.039 2
1 1055 . 1 1 A 92 92 SER H H 92 8.055 8.270 -0.215 2
1 1056 . 1 1 A 92 92 SER HA H 92 4.045 4.061 -0.016 2
1 1059 . 1 1 A 92 92 SER C C 92 177.204 176.863 0.341 2
1 1060 . 1 1 A 92 92 SER CA C 92 61.923 61.895 0.028 2
1 1061 . 1 1 A 92 92 SER CB C 92 62.767 62.910 -0.143 2
1 1062 . 1 1 A 92 92 SER N N 92 114.018 115.330 -1.312 2
1 1063 . 1 1 A 93 93 ILE H H 93 7.926 7.965 -0.039 2
1 1064 . 1 1 A 93 93 ILE HA H 93 3.795 3.687 0.108 2
1 1074 . 1 1 A 93 93 ILE C C 93 178.947 178.234 0.713 2
1 1075 . 1 1 A 93 93 ILE CA C 93 64.825 65.028 -0.203 2
1 1076 . 1 1 A 93 93 ILE CB C 93 37.693 37.882 -0.189 2
1 1080 . 1 1 A 93 93 ILE N N 93 120.974 121.163 -0.189 2
1 1081 . 1 1 A 94 94 LEU H H 94 7.678 8.027 -0.349 2
1 1082 . 1 1 A 94 94 LEU HA H 94 3.634 3.761 -0.127 2
1 1092 . 1 1 A 94 94 LEU C C 94 178.551 178.924 -0.373 2
1 1093 . 1 1 A 94 94 LEU CA C 94 57.861 57.912 -0.051 2
1 1094 . 1 1 A 94 94 LEU CB C 94 42.356 41.758 0.598 2
1 1098 . 1 1 A 94 94 LEU N N 94 121.223 119.427 1.796 2
1 1099 . 1 1 A 95 95 LEU H H 95 8.954 8.401 0.553 2
1 1100 . 1 1 A 95 95 LEU HA H 95 4.037 3.884 0.153 2
1 1110 . 1 1 A 95 95 LEU C C 95 180.858 179.173 1.685 2
1 1111 . 1 1 A 95 95 LEU CA C 95 58.194 57.986 0.208 2
1 1112 . 1 1 A 95 95 LEU CB C 95 41.286 41.491 -0.205 2
1 1116 . 1 1 A 95 95 LEU N N 95 118.177 117.963 0.214 2
1 1117 . 1 1 A 96 96 ASN H H 96 8.235 8.368 -0.133 2
1 1118 . 1 1 A 96 96 ASN HA H 96 4.445 4.448 -0.003 2
1 1123 . 1 1 A 96 96 ASN C C 96 177.901 177.317 0.584 2
1 1124 . 1 1 A 96 96 ASN CA C 96 56.347 56.689 -0.342 2
1 1125 . 1 1 A 96 96 ASN CB C 96 38.105 39.250 -1.145 2
1 1126 . 1 1 A 96 96 ASN N N 96 117.502 117.472 0.030 2
1 1128 . 1 1 A 97 97 ALA H H 97 7.756 7.825 -0.069 2
1 1129 . 1 1 A 97 97 ALA HA H 97 4.305 4.200 0.105 2
1 1133 . 1 1 A 97 97 ALA C C 97 180.315 179.805 0.510 2
1 1134 . 1 1 A 97 97 ALA CA C 97 54.906 54.774 0.132 2
1 1135 . 1 1 A 97 97 ALA CB C 97 19.214 18.577 0.637 2
1 1136 . 1 1 A 97 97 ALA N N 97 123.457 121.949 1.508 2
1 1137 . 1 1 A 98 98 LEU H H 98 8.335 8.182 0.153 2
1 1138 . 1 1 A 98 98 LEU HA H 98 4.055 4.043 0.011 2
1 1148 . 1 1 A 98 98 LEU C C 98 179.542 179.297 0.245 2
1 1149 . 1 1 A 98 98 LEU CA C 98 57.578 57.804 -0.226 2
1 1150 . 1 1 A 98 98 LEU CB C 98 42.174 41.595 0.579 2
1 1154 . 1 1 A 98 98 LEU N N 98 119.610 118.739 0.871 2
1 1155 . 1 1 A 99 99 LYS H H 99 7.969 8.043 -0.074 2
1 1156 . 1 1 A 99 99 LYS HA H 99 4.203 4.086 0.117 2
1 1165 . 1 1 A 99 99 LYS C C 99 178.392 178.818 -0.426 2
1 1166 . 1 1 A 99 99 LYS CA C 99 58.563 59.300 -0.737 2
1 1167 . 1 1 A 99 99 LYS CB C 99 32.267 32.060 0.207 2
1 1171 . 1 1 A 99 99 LYS N N 99 119.323 118.577 0.746 2
1 1172 . 1 1 A 100 100 SER H H 100 7.854 7.832 0.022 2
1 1173 . 1 1 A 100 100 SER HA H 100 4.404 4.137 0.267 2
1 1176 . 1 1 A 100 100 SER C C 100 175.449 176.893 -1.443 2
1 1177 . 1 1 A 100 100 SER CA C 100 60.076 61.579 -1.503 2
1 1178 . 1 1 A 100 100 SER CB C 100 63.600 62.938 0.662 2
1 1179 . 1 1 A 100 100 SER N N 100 114.116 115.368 -1.252 2
1 1180 . 1 1 A 101 101 GLN H H 101 7.863 8.029 -0.166 2
1 1181 . 1 1 A 101 101 GLN HA H 101 4.294 4.154 0.141 2
1 1188 . 1 1 A 101 101 GLN C C 101 176.613 176.928 -0.315 2
1 1189 . 1 1 A 101 101 GLN CA C 101 57.121 58.255 -1.134 2
1 1190 . 1 1 A 101 101 GLN CB C 101 29.761 28.203 1.558 2
1 1192 . 1 1 A 101 101 GLN N N 101 120.923 119.670 1.253 2
1 1194 . 1 1 A 102 102 SER H H 102 8.170 7.775 0.395 2
1 1195 . 1 1 A 102 102 SER HA H 102 4.445 4.536 -0.091 2
1 1198 . 1 1 A 102 102 SER C C 102 175.030 173.860 1.170 2
1 1199 . 1 1 A 102 102 SER CA C 102 59.162 58.837 0.325 2
1 1200 . 1 1 A 102 102 SER CB C 102 63.466 63.612 -0.146 2
1 1201 . 1 1 A 102 102 SER N N 102 115.689 115.182 0.507 2
1 1202 . 1 1 A 103 103 LEU H H 103 8.111 8.159 -0.048 2
1 1203 . 1 1 A 103 103 LEU HA H 103 4.400 4.520 -0.120 2
1 1213 . 1 1 A 103 103 LEU C C 103 178.263 176.439 1.825 2
1 1214 . 1 1 A 103 103 LEU CA C 103 55.908 54.527 1.381 2
1 1215 . 1 1 A 103 103 LEU CB C 103 42.215 43.336 -1.121 2
1 1219 . 1 1 A 103 103 LEU N N 103 123.252 124.833 -1.581 2
1 1220 . 1 1 A 104 104 THR H H 104 8.064 8.496 -0.432 2
1 1221 . 1 1 A 104 104 THR HA H 104 4.354 4.323 0.031 2
1 1226 . 1 1 A 104 104 THR C C 104 175.092 174.216 0.876 2
1 1227 . 1 1 A 104 104 THR CA C 104 62.368 62.585 -0.217 2
1 1228 . 1 1 A 104 104 THR CB C 104 69.673 69.011 0.662 2
1 1230 . 1 1 A 104 104 THR N N 104 113.441 116.171 -2.730 2
1 1231 . 1 1 A 105 105 SER H H 105 8.231 8.363 -0.132 2
1 1232 . 1 1 A 105 105 SER C C 105 177.959 173.795 4.164 2
1 1233 . 1 1 A 105 105 SER CA C 105 58.406 58.404 0.002 2
1 1234 . 1 1 A 105 105 SER CB C 105 63.507 64.498 -0.991 2
1 1235 . 1 1 A 105 105 SER N N 105 117.638 118.961 -1.323 2
1 1236 . 1 1 A 106 106 GLN HA H 106 4.365 4.572 -0.207 2
1 1239 . 1 1 A 106 106 GLN C C 106 176.322 175.037 1.285 2
1 1240 . 1 1 A 106 106 GLN CA C 106 56.189 55.505 0.684 2
1 1241 . 1 1 A 106 106 GLN CB C 106 29.226 29.731 -0.505 2
1 1243 . 1 1 A 107 107 SER H H 107 8.287 8.583 -0.296 2
1 1244 . 1 1 A 107 107 SER HA H 107 4.404 4.804 -0.400 2
1 1246 . 1 1 A 107 107 SER C C 107 174.687 173.417 1.270 2
1 1247 . 1 1 A 107 107 SER CA C 107 58.722 57.885 0.837 2
1 1248 . 1 1 A 107 107 SER CB C 107 63.713 64.433 -0.720 2
1 1249 . 1 1 A 107 107 SER N N 107 116.578 118.633 -2.055 2
1 1250 . 1 1 A 108 108 GLN H H 108 8.354 8.547 -0.193 2
1 1251 . 1 1 A 108 108 GLN HA H 108 4.349 4.661 -0.312 2
1 1258 . 1 1 A 108 108 GLN C C 108 175.798 174.842 0.956 2
1 1259 . 1 1 A 108 108 GLN CA C 108 55.820 55.417 0.403 2
1 1260 . 1 1 A 108 108 GLN CB C 108 29.432 30.730 -1.298 2
1 1262 . 1 1 A 108 108 GLN N N 108 122.015 124.191 -2.176 2
1 1264 . 1 1 A 109 109 ALA H H 109 8.301 8.466 -0.165 2
1 1265 . 1 1 A 109 109 ALA HA H 109 4.345 4.811 -0.466 2
1 1269 . 1 1 A 109 109 ALA C C 109 177.749 176.196 1.553 2
1 1270 . 1 1 A 109 109 ALA CA C 109 52.672 51.484 1.188 2
1 1271 . 1 1 A 109 109 ALA CB C 109 19.237 21.218 -1.981 2
1 1272 . 1 1 A 109 109 ALA N N 109 125.243 125.213 0.030 2
1 1273 . 1 1 A 110 110 SER H H 110 8.290 8.648 -0.358 2
1 1274 . 1 1 A 110 110 SER HA H 110 4.459 4.824 -0.365 2
1 1277 . 1 1 A 110 110 SER C C 110 174.593 173.827 0.766 2
1 1278 . 1 1 A 110 110 SER CA C 110 58.248 57.715 0.532 2
1 1279 . 1 1 A 110 110 SER CB C 110 63.918 64.804 -0.886 2
1 1280 . 1 1 A 110 110 SER N N 110 115.148 116.007 -0.859 2
1 1281 . 1 1 A 111 111 GLY H H 111 8.199 8.582 -0.383 2
1 1282 . 1 1 A 111 111 GLY HA2 H 111 4.167 4.202 -0.035 2
1 1283 . 1 1 A 111 111 GLY HA3 H 111 4.094 4.203 -0.109 2
1 1284 . 1 1 A 111 111 GLY C C 111 171.782 173.183 -1.401 2
1 1285 . 1 1 A 111 111 GLY CA C 111 44.652 45.433 -0.781 2
1 1286 . 1 1 A 111 111 GLY N N 111 110.586 110.445 0.142 2
1 1287 . 1 1 A 112 112 PRO HA H 112 4.471 4.566 -0.095 2
1 1294 . 1 1 A 112 112 PRO CA C 112 63.154 63.042 0.112 2
1 1295 . 1 1 A 112 112 PRO CB C 112 32.314 32.468 -0.154 2
stop_
save_