data_10166_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10166
_Entry.PDB_ID 2EM1
_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 N N 7 110.455 114.321 -3.866 1
1 2 . 1 1 1 A 7 7 GLY H H 7 8.367 8.564 -0.197 1
1 3 . 1 1 1 A 7 7 GLY CA C 7 45.260 46.383 -1.123 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 3.916 3.927 -0.011 1
1 5 . 1 1 1 A 7 7 GLY HA3 H 7 3.916 3.927 -0.011 1
1 6 . 1 1 1 A 7 7 GLY C C 7 174.007 173.633 0.374 1
1 7 . 1 1 1 A 8 8 GLU N N 8 120.208 117.489 2.719 1
1 8 . 1 1 1 A 8 8 GLU H H 8 8.176 7.849 0.327 1
1 9 . 1 1 1 A 8 8 GLU CA C 8 56.854 54.915 1.939 1
1 10 . 1 1 1 A 8 8 GLU HA H 8 4.160 4.781 -0.621 1
1 11 . 1 1 1 A 8 8 GLU CB C 8 30.376 33.277 -2.901 1
1 17 . 1 1 1 A 8 8 GLU C C 8 176.369 174.785 1.584 1
1 18 . 1 1 1 A 9 9 LYS N N 9 121.925 124.617 -2.692 1
1 19 . 1 1 1 A 9 9 LYS H H 9 8.248 8.654 -0.406 1
1 20 . 1 1 1 A 9 9 LYS CA C 9 53.835 52.676 1.159 1
1 21 . 1 1 1 A 9 9 LYS HA H 9 4.472 4.966 -0.494 1
1 22 . 1 1 1 A 9 9 LYS CB C 9 33.228 34.910 -1.682 1
1 34 . 1 1 1 A 9 9 LYS C C 9 174.035 175.678 -1.643 1
1 35 . 1 1 1 A 10 10 PRO CA C 10 63.591 63.799 -0.208 1
1 36 . 1 1 1 A 10 10 PRO HA H 10 4.246 4.345 -0.099 1
1 37 . 1 1 1 A 10 10 PRO CB C 10 32.267 31.141 1.126 1
1 46 . 1 1 1 A 10 10 PRO C C 10 176.492 175.700 0.792 1
1 47 . 1 1 1 A 11 11 TYR N N 11 117.866 119.565 -1.699 1
1 48 . 1 1 1 A 11 11 TYR H H 11 7.767 7.113 0.654 1
1 49 . 1 1 1 A 11 11 TYR CA C 11 57.355 56.780 0.575 1
1 50 . 1 1 1 A 11 11 TYR HA H 11 4.731 5.356 -0.625 1
1 51 . 1 1 1 A 11 11 TYR CB C 11 38.877 40.653 -1.776 1
1 62 . 1 1 1 A 11 11 TYR C C 11 174.849 175.072 -0.223 1
1 63 . 1 1 1 A 12 12 SER N N 12 117.933 117.931 0.002 1
1 64 . 1 1 1 A 12 12 SER H H 12 8.645 9.131 -0.486 1
1 65 . 1 1 1 A 12 12 SER CA C 12 57.174 56.619 0.555 1
1 66 . 1 1 1 A 12 12 SER HA H 12 5.270 5.604 -0.334 1
1 67 . 1 1 1 A 12 12 SER CB C 12 65.458 66.177 -0.719 1
1 70 . 1 1 1 A 12 12 SER C C 12 173.243 172.474 0.769 1
1 71 . 1 1 1 A 13 13 CYS N N 13 125.607 122.637 2.970 1
1 72 . 1 1 1 A 13 13 CYS H H 13 9.185 9.437 -0.252 1
1 73 . 1 1 1 A 13 13 CYS CA C 13 59.445 59.444 0.001 1
1 74 . 1 1 1 A 13 13 CYS HA H 13 4.513 4.752 -0.239 1
1 75 . 1 1 1 A 13 13 CYS CB C 13 30.133 29.108 1.025 1
1 78 . 1 1 1 A 13 13 CYS C C 13 176.806 174.512 2.294 1
1 79 . 1 1 1 A 14 14 ASN CA C 14 55.571 54.277 1.294 1
1 80 . 1 1 1 A 14 14 ASN HA H 14 4.532 4.937 -0.405 1
1 81 . 1 1 1 A 14 14 ASN CB C 14 37.747 40.996 -3.249 1
1 87 . 1 1 1 A 14 14 ASN C C 14 175.128 177.277 -2.149 1
1 88 . 1 1 1 A 15 15 GLU N N 15 121.346 118.510 2.836 1
1 89 . 1 1 1 A 15 15 GLU H H 15 8.862 8.228 0.634 1
1 90 . 1 1 1 A 15 15 GLU CA C 15 58.395 59.199 -0.804 1
1 91 . 1 1 1 A 15 15 GLU HA H 15 4.262 3.978 0.284 1
1 92 . 1 1 1 A 15 15 GLU CB C 15 29.692 29.068 0.624 1
1 98 . 1 1 1 A 15 15 GLU C C 15 177.050 177.955 -0.905 1
1 99 . 1 1 1 A 16 16 CYS N N 16 115.108 114.686 0.422 1
1 100 . 1 1 1 A 16 16 CYS H H 16 7.955 7.086 0.869 1
1 101 . 1 1 1 A 16 16 CYS CA C 16 58.406 59.537 -1.131 1
1 102 . 1 1 1 A 16 16 CYS HA H 16 5.166 4.484 0.682 1
1 103 . 1 1 1 A 16 16 CYS CB C 16 32.552 29.457 3.095 1
1 106 . 1 1 1 A 16 16 CYS C C 16 176.113 175.188 0.925 1
1 107 . 1 1 1 A 17 17 GLY N N 17 113.282 109.794 3.488 1
1 108 . 1 1 1 A 17 17 GLY H H 17 8.210 7.599 0.611 1
1 109 . 1 1 1 A 17 17 GLY CA C 17 46.158 44.835 1.323 1
1 110 . 1 1 1 A 17 17 GLY HA2 H 17 4.229 4.064 0.165 1
1 111 . 1 1 1 A 17 17 GLY HA3 H 17 3.869 4.080 -0.211 1
1 112 . 1 1 1 A 17 17 GLY C C 17 174.168 172.201 1.967 1
1 113 . 1 1 1 A 18 18 LYS N N 18 123.728 124.142 -0.414 1
1 114 . 1 1 1 A 18 18 LYS H H 18 8.024 8.422 -0.398 1
1 115 . 1 1 1 A 18 18 LYS CA C 18 58.388 55.349 3.039 1
1 116 . 1 1 1 A 18 18 LYS HA H 18 3.899 4.597 -0.698 1
1 117 . 1 1 1 A 18 18 LYS CB C 18 33.570 35.886 -2.316 1
1 129 . 1 1 1 A 18 18 LYS C C 18 173.522 174.148 -0.626 1
1 130 . 1 1 1 A 19 19 ALA N N 19 124.052 123.196 0.856 1
1 131 . 1 1 1 A 19 19 ALA H H 19 7.694 8.382 -0.688 1
1 132 . 1 1 1 A 19 19 ALA CA C 19 50.399 49.952 0.447 1
1 133 . 1 1 1 A 19 19 ALA HA H 19 5.061 5.468 -0.407 1
1 134 . 1 1 1 A 19 19 ALA CB C 19 22.152 23.481 -1.329 1
1 138 . 1 1 1 A 19 19 ALA C C 19 176.089 175.047 1.042 1
1 139 . 1 1 1 A 20 20 PHE N N 20 116.696 116.415 0.281 1
1 140 . 1 1 1 A 20 20 PHE H H 20 8.620 9.083 -0.463 1
1 141 . 1 1 1 A 20 20 PHE CA C 20 57.273 56.659 0.614 1
1 142 . 1 1 1 A 20 20 PHE HA H 20 4.731 4.862 -0.131 1
1 143 . 1 1 1 A 20 20 PHE CB C 20 43.640 43.186 0.454 1
1 156 . 1 1 1 A 20 20 PHE C C 20 174.983 175.601 -0.618 1
1 157 . 1 1 1 A 21 21 THR N N 21 118.634 116.115 2.519 1
1 158 . 1 1 1 A 21 21 THR H H 21 8.744 8.811 -0.067 1
1 159 . 1 1 1 A 21 21 THR CA C 21 66.285 64.400 1.885 1
1 160 . 1 1 1 A 21 21 THR HA H 21 4.059 4.324 -0.265 1
1 161 . 1 1 1 A 21 21 THR CB C 21 69.676 69.244 0.432 1
1 167 . 1 1 1 A 21 21 THR C C 21 173.364 174.899 -1.535 1
1 168 . 1 1 1 A 22 22 PHE N N 22 114.894 117.779 -2.885 1
1 169 . 1 1 1 A 22 22 PHE H H 22 7.843 8.039 -0.196 1
1 170 . 1 1 1 A 22 22 PHE CA C 22 55.721 56.810 -1.089 1
1 171 . 1 1 1 A 22 22 PHE HA H 22 5.181 4.761 0.420 1
1 172 . 1 1 1 A 22 22 PHE CB C 22 42.090 41.586 0.504 1
1 185 . 1 1 1 A 22 22 PHE C C 22 176.381 175.462 0.919 1
1 186 . 1 1 1 A 23 23 LYS N N 23 127.457 123.472 3.985 1
1 187 . 1 1 1 A 23 23 LYS H H 23 8.657 8.322 0.335 1
1 188 . 1 1 1 A 23 23 LYS CA C 23 59.680 59.621 0.059 1
1 189 . 1 1 1 A 23 23 LYS HA H 23 3.019 3.311 -0.292 1
1 190 . 1 1 1 A 23 23 LYS CB C 23 31.653 32.281 -0.628 1
1 202 . 1 1 1 A 23 23 LYS C C 23 178.376 177.898 0.478 1
1 203 . 1 1 1 A 24 24 SER N N 24 112.175 114.631 -2.456 1
1 204 . 1 1 1 A 24 24 SER H H 24 8.574 8.293 0.281 1
1 205 . 1 1 1 A 24 24 SER CA C 24 60.972 61.418 -0.446 1
1 206 . 1 1 1 A 24 24 SER HA H 24 3.910 4.149 -0.239 1
1 207 . 1 1 1 A 24 24 SER CB C 24 61.493 62.607 -1.114 1
1 210 . 1 1 1 A 24 24 SER C C 24 176.806 176.917 -0.111 1
1 211 . 1 1 1 A 25 25 GLN N N 25 119.551 120.009 -0.458 1
1 212 . 1 1 1 A 25 25 GLN H H 25 6.928 8.218 -1.290 1
1 213 . 1 1 1 A 25 25 GLN CA C 25 57.625 58.797 -1.172 1
1 214 . 1 1 1 A 25 25 GLN HA H 25 3.953 3.932 0.021 1
1 215 . 1 1 1 A 25 25 GLN CB C 25 28.886 28.518 0.368 1
1 224 . 1 1 1 A 25 25 GLN C C 25 178.754 177.619 1.135 1
1 225 . 1 1 1 A 26 26 LEU N N 26 122.090 120.076 2.014 1
1 226 . 1 1 1 A 26 26 LEU H H 26 6.947 7.773 -0.826 1
1 227 . 1 1 1 A 26 26 LEU CA C 26 57.533 57.093 0.440 1
1 228 . 1 1 1 A 26 26 LEU HA H 26 3.309 2.814 0.495 1
1 229 . 1 1 1 A 26 26 LEU CB C 26 40.550 41.844 -1.294 1
1 242 . 1 1 1 A 26 26 LEU C C 26 177.318 178.463 -1.145 1
1 243 . 1 1 1 A 27 27 ILE N N 27 118.535 119.482 -0.947 1
1 244 . 1 1 1 A 27 27 ILE H H 27 7.955 7.945 0.010 1
1 245 . 1 1 1 A 27 27 ILE CA C 27 64.986 65.282 -0.296 1
1 246 . 1 1 1 A 27 27 ILE HA H 27 3.526 3.556 -0.030 1
1 247 . 1 1 1 A 27 27 ILE CB C 27 37.335 37.623 -0.288 1
1 260 . 1 1 1 A 27 27 ILE C C 27 179.131 178.267 0.864 1
1 261 . 1 1 1 A 28 28 VAL N N 28 118.816 120.496 -1.680 1
1 262 . 1 1 1 A 28 28 VAL H H 28 7.337 7.743 -0.406 1
1 263 . 1 1 1 A 28 28 VAL CA C 28 66.188 66.312 -0.124 1
1 264 . 1 1 1 A 28 28 VAL HA H 28 3.647 3.466 0.181 1
1 265 . 1 1 1 A 28 28 VAL CB C 28 32.100 31.746 0.354 1
1 275 . 1 1 1 A 28 28 VAL C C 28 179.034 177.923 1.111 1
1 276 . 1 1 1 A 29 29 HIS N N 29 120.386 119.058 1.328 1
1 277 . 1 1 1 A 29 29 HIS H H 29 7.693 7.737 -0.044 1
1 278 . 1 1 1 A 29 29 HIS CA C 29 59.203 59.283 -0.080 1
1 279 . 1 1 1 A 29 29 HIS HA H 29 4.191 4.147 0.044 1
1 280 . 1 1 1 A 29 29 HIS CB C 29 28.639 29.862 -1.223 1
1 287 . 1 1 1 A 29 29 HIS C C 29 175.639 176.970 -1.331 1
1 288 . 1 1 1 A 30 30 LYS N N 30 116.039 118.389 -2.350 1
1 289 . 1 1 1 A 30 30 LYS H H 30 8.110 8.093 0.017 1
1 290 . 1 1 1 A 30 30 LYS CA C 30 59.972 59.055 0.917 1
1 291 . 1 1 1 A 30 30 LYS HA H 30 3.744 3.970 -0.226 1
1 292 . 1 1 1 A 30 30 LYS CB C 30 31.811 32.217 -0.406 1
1 304 . 1 1 1 A 30 30 LYS C C 30 178.535 179.798 -1.263 1
1 305 . 1 1 1 A 31 31 GLY N N 31 105.302 107.972 -2.670 1
1 306 . 1 1 1 A 31 31 GLY H H 31 7.535 8.010 -0.475 1
1 307 . 1 1 1 A 31 31 GLY CA C 31 46.631 46.972 -0.341 1
1 308 . 1 1 1 A 31 31 GLY HA2 H 31 3.896 3.693 0.203 1
1 309 . 1 1 1 A 31 31 GLY HA3 H 31 4.014 3.712 0.302 1
1 310 . 1 1 1 A 31 31 GLY C C 31 175.882 176.319 -0.437 1
1 311 . 1 1 1 A 32 32 VAL N N 32 117.819 119.662 -1.843 1
1 312 . 1 1 1 A 32 32 VAL H H 32 8.006 7.804 0.202 1
1 313 . 1 1 1 A 32 32 VAL CA C 32 63.726 65.708 -1.982 1
1 314 . 1 1 1 A 32 32 VAL HA H 32 3.991 3.717 0.274 1
1 315 . 1 1 1 A 32 32 VAL CB C 32 31.119 31.131 -0.012 1
1 325 . 1 1 1 A 32 32 VAL C C 32 177.331 177.851 -0.520 1
1 326 . 1 1 1 A 33 33 HIS N N 33 117.685 119.583 -1.898 1
1 327 . 1 1 1 A 33 33 HIS H H 33 7.293 7.436 -0.143 1
1 328 . 1 1 1 A 33 33 HIS CA C 33 55.035 58.663 -3.628 1
1 329 . 1 1 1 A 33 33 HIS HA H 33 4.877 4.466 0.411 1
1 330 . 1 1 1 A 33 33 HIS CB C 33 28.797 30.702 -1.905 1
1 337 . 1 1 1 A 33 33 HIS C C 33 175.408 176.231 -0.823 1
1 338 . 1 1 1 A 34 34 THR N N 34 112.317 112.187 0.130 1
1 339 . 1 1 1 A 34 34 THR H H 34 7.791 7.745 0.046 1
1 340 . 1 1 1 A 34 34 THR CA C 34 62.359 63.768 -1.409 1
1 341 . 1 1 1 A 34 34 THR HA H 34 4.379 3.914 0.465 1
1 342 . 1 1 1 A 34 34 THR CB C 34 69.838 68.613 1.225 1
1 348 . 1 1 1 A 34 34 THR C C 34 175.262 175.494 -0.232 1
1 349 . 1 1 1 A 35 35 GLY N N 35 111.103 116.158 -5.055 1
1 350 . 1 1 1 A 35 35 GLY H H 35 8.318 9.207 -0.889 1
1 351 . 1 1 1 A 35 35 GLY CA C 35 45.398 46.985 -1.587 1
1 352 . 1 1 1 A 35 35 GLY HA2 H 35 3.994 3.891 0.103 1
1 353 . 1 1 1 A 35 35 GLY HA3 H 35 3.994 3.895 0.099 1
1 354 . 1 1 1 A 35 35 GLY C C 35 173.875 175.585 -1.710 1
1 355 . 1 1 1 A 36 36 VAL N N 36 119.868 119.665 0.203 1
1 356 . 1 1 1 A 36 36 VAL H H 36 7.956 8.201 -0.245 1
1 357 . 1 1 1 A 36 36 VAL CA C 36 62.215 62.527 -0.312 1
1 358 . 1 1 1 A 36 36 VAL HA H 36 4.087 4.194 -0.107 1
1 359 . 1 1 1 A 36 36 VAL CB C 36 32.793 31.542 1.251 1
1 369 . 1 1 1 A 36 36 VAL C C 36 176.041 174.805 1.236 1
1 370 . 1 1 1 A 37 37 LYS N N 37 127.378 120.447 6.931 1
1 371 . 1 1 1 A 37 37 LYS H H 37 8.475 7.347 1.128 1
1 372 . 1 1 1 A 37 37 LYS CA C 37 54.080 53.029 1.051 1
1 373 . 1 1 1 A 37 37 LYS HA H 37 4.624 4.745 -0.121 1
1 374 . 1 1 1 A 37 37 LYS CB C 37 32.545 34.790 -2.245 1
1 385 . 1 1 1 A 37 37 LYS C C 37 174.473 176.056 -1.583 1
1 386 . 1 1 1 A 38 38 PRO CA C 38 63.166 64.137 -0.971 1
1 387 . 1 1 1 A 38 38 PRO HA H 38 4.465 4.501 -0.036 1
1 388 . 1 1 1 A 38 38 PRO CB C 38 32.220 31.614 0.606 1
1 397 . 1 1 1 A 41 41 PRO CA C 41 63.295 62.794 0.501 1
1 398 . 1 1 1 A 41 41 PRO HA H 41 4.485 4.522 -0.037 1
1 399 . 1 1 1 A 41 41 PRO CB C 41 32.225 31.650 0.575 1
1 408 . 1 1 1 A 43 43 SER CA C 43 58.583 56.988 1.595 1
1 409 . 1 1 1 A 43 43 SER HA H 43 4.460 4.901 -0.441 1
1 410 . 1 1 1 A 43 43 SER CB C 43 63.880 66.441 -2.561 1
1 413 . 1 1 1 A 43 43 SER C C 43 173.861 173.458 0.403 1
1 1 . 2 1 1 A 7 7 GLY N N 7 110.455 113.510 -3.055 1
1 2 . 2 1 1 A 7 7 GLY H H 7 8.367 8.339 0.028 1
1 3 . 2 1 1 A 7 7 GLY CA C 7 45.260 45.314 -0.054 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 3.916 4.127 -0.211 1
1 5 . 2 1 1 A 7 7 GLY HA3 H 7 3.916 4.127 -0.211 1
1 6 . 2 1 1 A 7 7 GLY C C 7 174.007 172.351 1.656 1
1 7 . 2 1 1 A 8 8 GLU N N 8 120.208 124.353 -4.145 1
1 8 . 2 1 1 A 8 8 GLU H H 8 8.176 8.820 -0.644 1
1 9 . 2 1 1 A 8 8 GLU CA C 8 56.854 54.700 2.154 1
1 10 . 2 1 1 A 8 8 GLU HA H 8 4.160 5.040 -0.880 1
1 11 . 2 1 1 A 8 8 GLU CB C 8 30.376 33.713 -3.337 1
1 17 . 2 1 1 A 8 8 GLU C C 8 176.369 175.441 0.928 1
1 18 . 2 1 1 A 9 9 LYS N N 9 121.925 122.943 -1.018 1
1 19 . 2 1 1 A 9 9 LYS H H 9 8.248 8.746 -0.498 1
1 20 . 2 1 1 A 9 9 LYS CA C 9 53.835 52.248 1.587 1
1 21 . 2 1 1 A 9 9 LYS HA H 9 4.472 4.936 -0.464 1
1 22 . 2 1 1 A 9 9 LYS CB C 9 33.228 33.205 0.023 1
1 34 . 2 1 1 A 9 9 LYS C C 9 174.035 176.148 -2.113 1
1 35 . 2 1 1 A 10 10 PRO CA C 10 63.591 63.816 -0.225 1
1 36 . 2 1 1 A 10 10 PRO HA H 10 4.246 4.341 -0.095 1
1 37 . 2 1 1 A 10 10 PRO CB C 10 32.267 31.297 0.970 1
1 46 . 2 1 1 A 10 10 PRO C C 10 176.492 175.615 0.877 1
1 47 . 2 1 1 A 11 11 TYR N N 11 117.866 119.542 -1.676 1
1 48 . 2 1 1 A 11 11 TYR H H 11 7.767 7.075 0.692 1
1 49 . 2 1 1 A 11 11 TYR CA C 11 57.355 56.688 0.667 1
1 50 . 2 1 1 A 11 11 TYR HA H 11 4.731 5.358 -0.627 1
1 51 . 2 1 1 A 11 11 TYR CB C 11 38.877 40.783 -1.906 1
1 62 . 2 1 1 A 11 11 TYR C C 11 174.849 175.000 -0.151 1
1 63 . 2 1 1 A 12 12 SER N N 12 117.933 117.642 0.291 1
1 64 . 2 1 1 A 12 12 SER H H 12 8.645 9.134 -0.489 1
1 65 . 2 1 1 A 12 12 SER CA C 12 57.174 56.632 0.542 1
1 66 . 2 1 1 A 12 12 SER HA H 12 5.270 5.606 -0.336 1
1 67 . 2 1 1 A 12 12 SER CB C 12 65.458 66.213 -0.755 1
1 70 . 2 1 1 A 12 12 SER C C 12 173.243 172.391 0.852 1
1 71 . 2 1 1 A 13 13 CYS N N 13 125.607 122.630 2.977 1
1 72 . 2 1 1 A 13 13 CYS H H 13 9.185 9.426 -0.241 1
1 73 . 2 1 1 A 13 13 CYS CA C 13 59.445 59.003 0.442 1
1 74 . 2 1 1 A 13 13 CYS HA H 13 4.513 4.741 -0.228 1
1 75 . 2 1 1 A 13 13 CYS CB C 13 30.133 28.965 1.168 1
1 78 . 2 1 1 A 13 13 CYS C C 13 176.806 174.596 2.210 1
1 79 . 2 1 1 A 14 14 ASN CA C 14 55.571 54.203 1.368 1
1 80 . 2 1 1 A 14 14 ASN HA H 14 4.532 5.019 -0.487 1
1 81 . 2 1 1 A 14 14 ASN CB C 14 37.747 40.071 -2.324 1
1 87 . 2 1 1 A 14 14 ASN C C 14 175.128 177.128 -2.000 1
1 88 . 2 1 1 A 15 15 GLU N N 15 121.346 119.364 1.982 1
1 89 . 2 1 1 A 15 15 GLU H H 15 8.862 8.162 0.700 1
1 90 . 2 1 1 A 15 15 GLU CA C 15 58.395 59.265 -0.870 1
1 91 . 2 1 1 A 15 15 GLU HA H 15 4.262 3.984 0.278 1
1 92 . 2 1 1 A 15 15 GLU CB C 15 29.692 29.108 0.584 1
1 98 . 2 1 1 A 15 15 GLU C C 15 177.050 178.159 -1.109 1
1 99 . 2 1 1 A 16 16 CYS N N 16 115.108 114.738 0.370 1
1 100 . 2 1 1 A 16 16 CYS H H 16 7.955 7.092 0.863 1
1 101 . 2 1 1 A 16 16 CYS CA C 16 58.406 59.629 -1.223 1
1 102 . 2 1 1 A 16 16 CYS HA H 16 5.166 4.480 0.686 1
1 103 . 2 1 1 A 16 16 CYS CB C 16 32.552 29.425 3.127 1
1 106 . 2 1 1 A 16 16 CYS C C 16 176.113 175.191 0.922 1
1 107 . 2 1 1 A 17 17 GLY N N 17 113.282 109.801 3.481 1
1 108 . 2 1 1 A 17 17 GLY H H 17 8.210 8.026 0.184 1
1 109 . 2 1 1 A 17 17 GLY CA C 17 46.158 44.837 1.321 1
1 110 . 2 1 1 A 17 17 GLY HA2 H 17 4.229 4.064 0.165 1
1 111 . 2 1 1 A 17 17 GLY HA3 H 17 3.869 4.076 -0.207 1
1 112 . 2 1 1 A 17 17 GLY C C 17 174.168 172.321 1.847 1
1 113 . 2 1 1 A 18 18 LYS N N 18 123.728 124.137 -0.409 1
1 114 . 2 1 1 A 18 18 LYS H H 18 8.024 8.422 -0.398 1
1 115 . 2 1 1 A 18 18 LYS CA C 18 58.388 55.452 2.936 1
1 116 . 2 1 1 A 18 18 LYS HA H 18 3.899 4.619 -0.720 1
1 117 . 2 1 1 A 18 18 LYS CB C 18 33.570 35.944 -2.374 1
1 129 . 2 1 1 A 18 18 LYS C C 18 173.522 174.162 -0.640 1
1 130 . 2 1 1 A 19 19 ALA N N 19 124.052 123.248 0.804 1
1 131 . 2 1 1 A 19 19 ALA H H 19 7.694 8.491 -0.797 1
1 132 . 2 1 1 A 19 19 ALA CA C 19 50.399 49.993 0.406 1
1 133 . 2 1 1 A 19 19 ALA HA H 19 5.061 5.428 -0.367 1
1 134 . 2 1 1 A 19 19 ALA CB C 19 22.152 23.507 -1.355 1
1 138 . 2 1 1 A 19 19 ALA C C 19 176.089 175.151 0.938 1
1 139 . 2 1 1 A 20 20 PHE N N 20 116.696 116.423 0.273 1
1 140 . 2 1 1 A 20 20 PHE H H 20 8.620 9.138 -0.518 1
1 141 . 2 1 1 A 20 20 PHE CA C 20 57.273 56.640 0.633 1
1 142 . 2 1 1 A 20 20 PHE HA H 20 4.731 4.898 -0.167 1
1 143 . 2 1 1 A 20 20 PHE CB C 20 43.640 43.183 0.457 1
1 156 . 2 1 1 A 20 20 PHE C C 20 174.983 175.615 -0.632 1
1 157 . 2 1 1 A 21 21 THR N N 21 118.634 116.464 2.170 1
1 158 . 2 1 1 A 21 21 THR H H 21 8.744 8.865 -0.121 1
1 159 . 2 1 1 A 21 21 THR CA C 21 66.285 64.729 1.556 1
1 160 . 2 1 1 A 21 21 THR HA H 21 4.059 4.512 -0.453 1
1 161 . 2 1 1 A 21 21 THR CB C 21 69.676 69.515 0.161 1
1 167 . 2 1 1 A 21 21 THR C C 21 173.364 175.414 -2.050 1
1 168 . 2 1 1 A 22 22 PHE N N 22 114.894 117.910 -3.016 1
1 169 . 2 1 1 A 22 22 PHE H H 22 7.843 8.029 -0.186 1
1 170 . 2 1 1 A 22 22 PHE CA C 22 55.721 56.991 -1.270 1
1 171 . 2 1 1 A 22 22 PHE HA H 22 5.181 4.769 0.412 1
1 172 . 2 1 1 A 22 22 PHE CB C 22 42.090 41.302 0.788 1
1 185 . 2 1 1 A 22 22 PHE C C 22 176.381 175.575 0.806 1
1 186 . 2 1 1 A 23 23 LYS N N 23 127.457 123.660 3.797 1
1 187 . 2 1 1 A 23 23 LYS H H 23 8.657 8.208 0.449 1
1 188 . 2 1 1 A 23 23 LYS CA C 23 59.680 59.545 0.135 1
1 189 . 2 1 1 A 23 23 LYS HA H 23 3.019 3.074 -0.055 1
1 190 . 2 1 1 A 23 23 LYS CB C 23 31.653 32.074 -0.421 1
1 202 . 2 1 1 A 23 23 LYS C C 23 178.376 178.018 0.358 1
1 203 . 2 1 1 A 24 24 SER N N 24 112.175 113.694 -1.519 1
1 204 . 2 1 1 A 24 24 SER H H 24 8.574 8.139 0.435 1
1 205 . 2 1 1 A 24 24 SER CA C 24 60.972 61.559 -0.587 1
1 206 . 2 1 1 A 24 24 SER HA H 24 3.910 4.019 -0.109 1
1 207 . 2 1 1 A 24 24 SER CB C 24 61.493 63.034 -1.541 1
1 210 . 2 1 1 A 24 24 SER C C 24 176.806 177.151 -0.345 1
1 211 . 2 1 1 A 25 25 GLN N N 25 119.551 120.698 -1.147 1
1 212 . 2 1 1 A 25 25 GLN H H 25 6.928 8.285 -1.357 1
1 213 . 2 1 1 A 25 25 GLN CA C 25 57.625 58.879 -1.254 1
1 214 . 2 1 1 A 25 25 GLN HA H 25 3.953 3.893 0.060 1
1 215 . 2 1 1 A 25 25 GLN CB C 25 28.886 28.319 0.567 1
1 224 . 2 1 1 A 25 25 GLN C C 25 178.754 177.969 0.785 1
1 225 . 2 1 1 A 26 26 LEU N N 26 122.090 120.044 2.046 1
1 226 . 2 1 1 A 26 26 LEU H H 26 6.947 7.852 -0.905 1
1 227 . 2 1 1 A 26 26 LEU CA C 26 57.533 57.043 0.490 1
1 228 . 2 1 1 A 26 26 LEU HA H 26 3.309 3.012 0.297 1
1 229 . 2 1 1 A 26 26 LEU CB C 26 40.550 41.519 -0.969 1
1 242 . 2 1 1 A 26 26 LEU C C 26 177.318 178.717 -1.399 1
1 243 . 2 1 1 A 27 27 ILE N N 27 118.535 119.029 -0.494 1
1 244 . 2 1 1 A 27 27 ILE H H 27 7.955 7.893 0.062 1
1 245 . 2 1 1 A 27 27 ILE CA C 27 64.986 64.535 0.451 1
1 246 . 2 1 1 A 27 27 ILE HA H 27 3.526 3.707 -0.181 1
1 247 . 2 1 1 A 27 27 ILE CB C 27 37.335 36.964 0.371 1
1 260 . 2 1 1 A 27 27 ILE C C 27 179.131 178.215 0.916 1
1 261 . 2 1 1 A 28 28 VAL N N 28 118.816 121.319 -2.503 1
1 262 . 2 1 1 A 28 28 VAL H H 28 7.337 8.046 -0.709 1
1 263 . 2 1 1 A 28 28 VAL CA C 28 66.188 66.022 0.166 1
1 264 . 2 1 1 A 28 28 VAL HA H 28 3.647 3.585 0.062 1
1 265 . 2 1 1 A 28 28 VAL CB C 28 32.100 31.694 0.406 1
1 275 . 2 1 1 A 28 28 VAL C C 28 179.034 178.156 0.878 1
1 276 . 2 1 1 A 29 29 HIS N N 29 120.386 119.302 1.084 1
1 277 . 2 1 1 A 29 29 HIS H H 29 7.693 7.751 -0.058 1
1 278 . 2 1 1 A 29 29 HIS CA C 29 59.203 58.972 0.231 1
1 279 . 2 1 1 A 29 29 HIS HA H 29 4.191 4.181 0.010 1
1 280 . 2 1 1 A 29 29 HIS CB C 29 28.639 29.685 -1.046 1
1 287 . 2 1 1 A 29 29 HIS C C 29 175.639 177.060 -1.421 1
1 288 . 2 1 1 A 30 30 LYS N N 30 116.039 118.369 -2.330 1
1 289 . 2 1 1 A 30 30 LYS H H 30 8.110 8.137 -0.027 1
1 290 . 2 1 1 A 30 30 LYS CA C 30 59.972 59.185 0.787 1
1 291 . 2 1 1 A 30 30 LYS HA H 30 3.744 4.080 -0.336 1
1 292 . 2 1 1 A 30 30 LYS CB C 30 31.811 32.165 -0.354 1
1 304 . 2 1 1 A 30 30 LYS C C 30 178.535 179.815 -1.280 1
1 305 . 2 1 1 A 31 31 GLY N N 31 105.302 108.044 -2.742 1
1 306 . 2 1 1 A 31 31 GLY H H 31 7.535 8.103 -0.568 1
1 307 . 2 1 1 A 31 31 GLY CA C 31 46.631 47.163 -0.532 1
1 308 . 2 1 1 A 31 31 GLY HA2 H 31 3.896 3.692 0.204 1
1 309 . 2 1 1 A 31 31 GLY HA3 H 31 4.014 3.714 0.300 1
1 310 . 2 1 1 A 31 31 GLY C C 31 175.882 176.197 -0.315 1
1 311 . 2 1 1 A 32 32 VAL N N 32 117.819 120.274 -2.455 1
1 312 . 2 1 1 A 32 32 VAL H H 32 8.006 7.867 0.139 1
1 313 . 2 1 1 A 32 32 VAL CA C 32 63.726 65.618 -1.892 1
1 314 . 2 1 1 A 32 32 VAL HA H 32 3.991 3.651 0.340 1
1 315 . 2 1 1 A 32 32 VAL CB C 32 31.119 31.107 0.012 1
1 325 . 2 1 1 A 32 32 VAL C C 32 177.331 177.802 -0.471 1
1 326 . 2 1 1 A 33 33 HIS N N 33 117.685 119.918 -2.233 1
1 327 . 2 1 1 A 33 33 HIS H H 33 7.293 7.229 0.064 1
1 328 . 2 1 1 A 33 33 HIS CA C 33 55.035 58.647 -3.612 1
1 329 . 2 1 1 A 33 33 HIS HA H 33 4.877 4.452 0.425 1
1 330 . 2 1 1 A 33 33 HIS CB C 33 28.797 30.845 -2.048 1
1 337 . 2 1 1 A 33 33 HIS C C 33 175.408 176.462 -1.054 1
1 338 . 2 1 1 A 34 34 THR N N 34 112.317 111.195 1.122 1
1 339 . 2 1 1 A 34 34 THR H H 34 7.791 7.537 0.254 1
1 340 . 2 1 1 A 34 34 THR CA C 34 62.359 61.749 0.610 1
1 341 . 2 1 1 A 34 34 THR HA H 34 4.379 4.261 0.118 1
1 342 . 2 1 1 A 34 34 THR CB C 34 69.838 69.310 0.528 1
1 348 . 2 1 1 A 34 34 THR C C 34 175.262 174.538 0.724 1
1 349 . 2 1 1 A 35 35 GLY N N 35 111.103 115.046 -3.943 1
1 350 . 2 1 1 A 35 35 GLY H H 35 8.318 8.842 -0.524 1
1 351 . 2 1 1 A 35 35 GLY CA C 35 45.398 44.184 1.214 1
1 352 . 2 1 1 A 35 35 GLY HA2 H 35 3.994 4.093 -0.099 1
1 353 . 2 1 1 A 35 35 GLY HA3 H 35 3.994 4.101 -0.107 1
1 354 . 2 1 1 A 35 35 GLY C C 35 173.875 173.467 0.408 1
1 355 . 2 1 1 A 36 36 VAL N N 36 119.868 120.231 -0.363 1
1 356 . 2 1 1 A 36 36 VAL H H 36 7.956 8.427 -0.471 1
1 357 . 2 1 1 A 36 36 VAL CA C 36 62.215 63.318 -1.103 1
1 358 . 2 1 1 A 36 36 VAL HA H 36 4.087 3.989 0.098 1
1 359 . 2 1 1 A 36 36 VAL CB C 36 32.793 32.151 0.642 1
1 369 . 2 1 1 A 36 36 VAL C C 36 176.041 175.794 0.247 1
1 370 . 2 1 1 A 37 37 LYS N N 37 127.378 125.425 1.953 1
1 371 . 2 1 1 A 37 37 LYS H H 37 8.475 8.427 0.048 1
1 372 . 2 1 1 A 37 37 LYS CA C 37 54.080 52.784 1.296 1
1 373 . 2 1 1 A 37 37 LYS HA H 37 4.624 4.809 -0.185 1
1 374 . 2 1 1 A 37 37 LYS CB C 37 32.545 36.389 -3.844 1
1 385 . 2 1 1 A 37 37 LYS C C 37 174.473 174.521 -0.048 1
1 386 . 2 1 1 A 38 38 PRO CA C 38 63.166 62.497 0.669 1
1 387 . 2 1 1 A 38 38 PRO HA H 38 4.465 4.527 -0.062 1
1 388 . 2 1 1 A 38 38 PRO CB C 38 32.220 32.434 -0.214 1
1 397 . 2 1 1 A 41 41 PRO CA C 41 63.295 62.287 1.008 1
1 398 . 2 1 1 A 41 41 PRO HA H 41 4.485 4.470 0.015 1
1 399 . 2 1 1 A 41 41 PRO CB C 41 32.225 29.658 2.567 1
1 408 . 2 1 1 A 43 43 SER CA C 43 58.583 57.538 1.045 1
1 409 . 2 1 1 A 43 43 SER HA H 43 4.460 4.686 -0.226 1
1 410 . 2 1 1 A 43 43 SER CB C 43 63.880 61.404 2.476 1
1 413 . 2 1 1 A 43 43 SER C C 43 173.861 173.659 0.202 1
1 1 . 3 1 1 A 7 7 GLY N N 7 110.455 115.427 -4.972 1
1 2 . 3 1 1 A 7 7 GLY H H 7 8.367 8.717 -0.350 1
1 3 . 3 1 1 A 7 7 GLY CA C 7 45.260 44.794 0.466 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 3.916 4.069 -0.153 1
1 5 . 3 1 1 A 7 7 GLY HA3 H 7 3.916 4.069 -0.153 1
1 6 . 3 1 1 A 7 7 GLY C C 7 174.007 172.926 1.081 1
1 7 . 3 1 1 A 8 8 GLU N N 8 120.208 119.566 0.642 1
1 8 . 3 1 1 A 8 8 GLU H H 8 8.176 8.376 -0.200 1
1 9 . 3 1 1 A 8 8 GLU CA C 8 56.854 55.766 1.088 1
1 10 . 3 1 1 A 8 8 GLU HA H 8 4.160 4.651 -0.491 1
1 11 . 3 1 1 A 8 8 GLU CB C 8 30.376 30.921 -0.545 1
1 17 . 3 1 1 A 8 8 GLU C C 8 176.369 175.506 0.863 1
1 18 . 3 1 1 A 9 9 LYS N N 9 121.925 123.754 -1.829 1
1 19 . 3 1 1 A 9 9 LYS H H 9 8.248 8.613 -0.365 1
1 20 . 3 1 1 A 9 9 LYS CA C 9 53.835 52.230 1.605 1
1 21 . 3 1 1 A 9 9 LYS HA H 9 4.472 4.893 -0.421 1
1 22 . 3 1 1 A 9 9 LYS CB C 9 33.228 33.599 -0.371 1
1 34 . 3 1 1 A 9 9 LYS C C 9 174.035 175.880 -1.845 1
1 35 . 3 1 1 A 10 10 PRO CA C 10 63.591 63.800 -0.209 1
1 36 . 3 1 1 A 10 10 PRO HA H 10 4.246 4.331 -0.085 1
1 37 . 3 1 1 A 10 10 PRO CB C 10 32.267 31.277 0.990 1
1 46 . 3 1 1 A 10 10 PRO C C 10 176.492 175.605 0.887 1
1 47 . 3 1 1 A 11 11 TYR N N 11 117.866 119.537 -1.671 1
1 48 . 3 1 1 A 11 11 TYR H H 11 7.767 7.127 0.640 1
1 49 . 3 1 1 A 11 11 TYR CA C 11 57.355 56.681 0.674 1
1 50 . 3 1 1 A 11 11 TYR HA H 11 4.731 5.356 -0.625 1
1 51 . 3 1 1 A 11 11 TYR CB C 11 38.877 40.656 -1.779 1
1 62 . 3 1 1 A 11 11 TYR C C 11 174.849 175.096 -0.247 1
1 63 . 3 1 1 A 12 12 SER N N 12 117.933 117.641 0.292 1
1 64 . 3 1 1 A 12 12 SER H H 12 8.645 9.134 -0.489 1
1 65 . 3 1 1 A 12 12 SER CA C 12 57.174 56.611 0.563 1
1 66 . 3 1 1 A 12 12 SER HA H 12 5.270 5.572 -0.302 1
1 67 . 3 1 1 A 12 12 SER CB C 12 65.458 66.047 -0.589 1
1 70 . 3 1 1 A 12 12 SER C C 12 173.243 172.472 0.771 1
1 71 . 3 1 1 A 13 13 CYS N N 13 125.607 122.696 2.911 1
1 72 . 3 1 1 A 13 13 CYS H H 13 9.185 9.443 -0.258 1
1 73 . 3 1 1 A 13 13 CYS CA C 13 59.445 59.574 -0.129 1
1 74 . 3 1 1 A 13 13 CYS HA H 13 4.513 4.772 -0.259 1
1 75 . 3 1 1 A 13 13 CYS CB C 13 30.133 29.070 1.063 1
1 78 . 3 1 1 A 13 13 CYS C C 13 176.806 174.551 2.255 1
1 79 . 3 1 1 A 14 14 ASN CA C 14 55.571 54.208 1.363 1
1 80 . 3 1 1 A 14 14 ASN HA H 14 4.532 5.013 -0.481 1
1 81 . 3 1 1 A 14 14 ASN CB C 14 37.747 40.153 -2.406 1
1 87 . 3 1 1 A 14 14 ASN C C 14 175.128 177.046 -1.918 1
1 88 . 3 1 1 A 15 15 GLU N N 15 121.346 119.269 2.077 1
1 89 . 3 1 1 A 15 15 GLU H H 15 8.862 8.187 0.675 1
1 90 . 3 1 1 A 15 15 GLU CA C 15 58.395 59.234 -0.839 1
1 91 . 3 1 1 A 15 15 GLU HA H 15 4.262 3.982 0.280 1
1 92 . 3 1 1 A 15 15 GLU CB C 15 29.692 29.125 0.567 1
1 98 . 3 1 1 A 15 15 GLU C C 15 177.050 177.832 -0.782 1
1 99 . 3 1 1 A 16 16 CYS N N 16 115.108 114.646 0.462 1
1 100 . 3 1 1 A 16 16 CYS H H 16 7.955 7.093 0.862 1
1 101 . 3 1 1 A 16 16 CYS CA C 16 58.406 59.517 -1.111 1
1 102 . 3 1 1 A 16 16 CYS HA H 16 5.166 4.498 0.668 1
1 103 . 3 1 1 A 16 16 CYS CB C 16 32.552 29.545 3.007 1
1 106 . 3 1 1 A 16 16 CYS C C 16 176.113 175.176 0.937 1
1 107 . 3 1 1 A 17 17 GLY N N 17 113.282 108.935 4.347 1
1 108 . 3 1 1 A 17 17 GLY H H 17 8.210 7.387 0.823 1
1 109 . 3 1 1 A 17 17 GLY CA C 17 46.158 44.793 1.365 1
1 110 . 3 1 1 A 17 17 GLY HA2 H 17 4.229 4.080 0.149 1
1 111 . 3 1 1 A 17 17 GLY HA3 H 17 3.869 4.093 -0.224 1
1 112 . 3 1 1 A 17 17 GLY C C 17 174.168 172.104 2.064 1
1 113 . 3 1 1 A 18 18 LYS N N 18 123.728 124.060 -0.332 1
1 114 . 3 1 1 A 18 18 LYS H H 18 8.024 8.485 -0.461 1
1 115 . 3 1 1 A 18 18 LYS CA C 18 58.388 55.339 3.049 1
1 116 . 3 1 1 A 18 18 LYS HA H 18 3.899 4.593 -0.694 1
1 117 . 3 1 1 A 18 18 LYS CB C 18 33.570 35.656 -2.086 1
1 129 . 3 1 1 A 18 18 LYS C C 18 173.522 174.119 -0.597 1
1 130 . 3 1 1 A 19 19 ALA N N 19 124.052 123.492 0.560 1
1 131 . 3 1 1 A 19 19 ALA H H 19 7.694 8.396 -0.702 1
1 132 . 3 1 1 A 19 19 ALA CA C 19 50.399 49.948 0.451 1
1 133 . 3 1 1 A 19 19 ALA HA H 19 5.061 5.404 -0.343 1
1 134 . 3 1 1 A 19 19 ALA CB C 19 22.152 23.335 -1.183 1
1 138 . 3 1 1 A 19 19 ALA C C 19 176.089 175.042 1.047 1
1 139 . 3 1 1 A 20 20 PHE N N 20 116.696 116.388 0.308 1
1 140 . 3 1 1 A 20 20 PHE H H 20 8.620 9.070 -0.450 1
1 141 . 3 1 1 A 20 20 PHE CA C 20 57.273 56.607 0.666 1
1 142 . 3 1 1 A 20 20 PHE HA H 20 4.731 4.825 -0.094 1
1 143 . 3 1 1 A 20 20 PHE CB C 20 43.640 43.243 0.397 1
1 156 . 3 1 1 A 20 20 PHE C C 20 174.983 175.618 -0.635 1
1 157 . 3 1 1 A 21 21 THR N N 21 118.634 116.038 2.596 1
1 158 . 3 1 1 A 21 21 THR H H 21 8.744 8.529 0.215 1
1 159 . 3 1 1 A 21 21 THR CA C 21 66.285 63.883 2.402 1
1 160 . 3 1 1 A 21 21 THR HA H 21 4.059 4.406 -0.347 1
1 161 . 3 1 1 A 21 21 THR CB C 21 69.676 69.362 0.314 1
1 167 . 3 1 1 A 21 21 THR C C 21 173.364 175.034 -1.670 1
1 168 . 3 1 1 A 22 22 PHE N N 22 114.894 117.286 -2.392 1
1 169 . 3 1 1 A 22 22 PHE H H 22 7.843 7.931 -0.088 1
1 170 . 3 1 1 A 22 22 PHE CA C 22 55.721 56.359 -0.638 1
1 171 . 3 1 1 A 22 22 PHE HA H 22 5.181 4.803 0.378 1
1 172 . 3 1 1 A 22 22 PHE CB C 22 42.090 42.043 0.047 1
1 185 . 3 1 1 A 22 22 PHE C C 22 176.381 175.757 0.624 1
1 186 . 3 1 1 A 23 23 LYS N N 23 127.457 123.394 4.063 1
1 187 . 3 1 1 A 23 23 LYS H H 23 8.657 8.326 0.331 1
1 188 . 3 1 1 A 23 23 LYS CA C 23 59.680 59.653 0.027 1
1 189 . 3 1 1 A 23 23 LYS HA H 23 3.019 3.416 -0.397 1
1 190 . 3 1 1 A 23 23 LYS CB C 23 31.653 32.362 -0.709 1
1 202 . 3 1 1 A 23 23 LYS C C 23 178.376 177.836 0.540 1
1 203 . 3 1 1 A 24 24 SER N N 24 112.175 113.869 -1.694 1
1 204 . 3 1 1 A 24 24 SER H H 24 8.574 8.300 0.274 1
1 205 . 3 1 1 A 24 24 SER CA C 24 60.972 61.688 -0.716 1
1 206 . 3 1 1 A 24 24 SER HA H 24 3.910 4.211 -0.301 1
1 207 . 3 1 1 A 24 24 SER CB C 24 61.493 62.769 -1.276 1
1 210 . 3 1 1 A 24 24 SER C C 24 176.806 176.919 -0.113 1
1 211 . 3 1 1 A 25 25 GLN N N 25 119.551 121.188 -1.637 1
1 212 . 3 1 1 A 25 25 GLN H H 25 6.928 8.214 -1.286 1
1 213 . 3 1 1 A 25 25 GLN CA C 25 57.625 58.886 -1.261 1
1 214 . 3 1 1 A 25 25 GLN HA H 25 3.953 3.882 0.071 1
1 215 . 3 1 1 A 25 25 GLN CB C 25 28.886 28.059 0.827 1
1 224 . 3 1 1 A 25 25 GLN C C 25 178.754 177.954 0.800 1
1 225 . 3 1 1 A 26 26 LEU N N 26 122.090 120.404 1.686 1
1 226 . 3 1 1 A 26 26 LEU H H 26 6.947 7.852 -0.905 1
1 227 . 3 1 1 A 26 26 LEU CA C 26 57.533 56.935 0.598 1
1 228 . 3 1 1 A 26 26 LEU HA H 26 3.309 2.676 0.633 1
1 229 . 3 1 1 A 26 26 LEU CB C 26 40.550 41.431 -0.881 1
1 242 . 3 1 1 A 26 26 LEU C C 26 177.318 178.765 -1.447 1
1 243 . 3 1 1 A 27 27 ILE N N 27 118.535 119.135 -0.600 1
1 244 . 3 1 1 A 27 27 ILE H H 27 7.955 7.943 0.012 1
1 245 . 3 1 1 A 27 27 ILE CA C 27 64.986 65.412 -0.426 1
1 246 . 3 1 1 A 27 27 ILE HA H 27 3.526 3.504 0.022 1
1 247 . 3 1 1 A 27 27 ILE CB C 27 37.335 37.636 -0.301 1
1 260 . 3 1 1 A 27 27 ILE C C 27 179.131 178.226 0.905 1
1 261 . 3 1 1 A 28 28 VAL N N 28 118.816 119.828 -1.012 1
1 262 . 3 1 1 A 28 28 VAL H H 28 7.337 7.771 -0.434 1
1 263 . 3 1 1 A 28 28 VAL CA C 28 66.188 66.384 -0.196 1
1 264 . 3 1 1 A 28 28 VAL HA H 28 3.647 3.520 0.127 1
1 265 . 3 1 1 A 28 28 VAL CB C 28 32.100 31.581 0.519 1
1 275 . 3 1 1 A 28 28 VAL C C 28 179.034 177.991 1.043 1
1 276 . 3 1 1 A 29 29 HIS N N 29 120.386 119.051 1.335 1
1 277 . 3 1 1 A 29 29 HIS H H 29 7.693 7.756 -0.063 1
1 278 . 3 1 1 A 29 29 HIS CA C 29 59.203 59.058 0.145 1
1 279 . 3 1 1 A 29 29 HIS HA H 29 4.191 4.158 0.033 1
1 280 . 3 1 1 A 29 29 HIS CB C 29 28.639 29.729 -1.090 1
1 287 . 3 1 1 A 29 29 HIS C C 29 175.639 177.125 -1.486 1
1 288 . 3 1 1 A 30 30 LYS N N 30 116.039 118.312 -2.273 1
1 289 . 3 1 1 A 30 30 LYS H H 30 8.110 8.274 -0.164 1
1 290 . 3 1 1 A 30 30 LYS CA C 30 59.972 59.230 0.742 1
1 291 . 3 1 1 A 30 30 LYS HA H 30 3.744 4.067 -0.323 1
1 292 . 3 1 1 A 30 30 LYS CB C 30 31.811 32.178 -0.367 1
1 304 . 3 1 1 A 30 30 LYS C C 30 178.535 179.998 -1.463 1
1 305 . 3 1 1 A 31 31 GLY N N 31 105.302 108.029 -2.727 1
1 306 . 3 1 1 A 31 31 GLY H H 31 7.535 7.986 -0.451 1
1 307 . 3 1 1 A 31 31 GLY CA C 31 46.631 46.863 -0.232 1
1 308 . 3 1 1 A 31 31 GLY HA2 H 31 3.896 3.687 0.209 1
1 309 . 3 1 1 A 31 31 GLY HA3 H 31 4.014 3.707 0.307 1
1 310 . 3 1 1 A 31 31 GLY C C 31 175.882 176.290 -0.408 1
1 311 . 3 1 1 A 32 32 VAL N N 32 117.819 119.519 -1.700 1
1 312 . 3 1 1 A 32 32 VAL H H 32 8.006 7.754 0.252 1
1 313 . 3 1 1 A 32 32 VAL CA C 32 63.726 65.591 -1.865 1
1 314 . 3 1 1 A 32 32 VAL HA H 32 3.991 3.756 0.235 1
1 315 . 3 1 1 A 32 32 VAL CB C 32 31.119 30.968 0.151 1
1 325 . 3 1 1 A 32 32 VAL C C 32 177.331 176.480 0.851 1
1 326 . 3 1 1 A 33 33 HIS N N 33 117.685 119.738 -2.053 1
1 327 . 3 1 1 A 33 33 HIS H H 33 7.293 7.388 -0.095 1
1 328 . 3 1 1 A 33 33 HIS CA C 33 55.035 58.093 -3.058 1
1 329 . 3 1 1 A 33 33 HIS HA H 33 4.877 4.519 0.358 1
1 330 . 3 1 1 A 33 33 HIS CB C 33 28.797 31.288 -2.491 1
1 337 . 3 1 1 A 33 33 HIS C C 33 175.408 175.996 -0.588 1
1 338 . 3 1 1 A 34 34 THR N N 34 112.317 109.532 2.785 1
1 339 . 3 1 1 A 34 34 THR H H 34 7.791 7.417 0.374 1
1 340 . 3 1 1 A 34 34 THR CA C 34 62.359 61.102 1.257 1
1 341 . 3 1 1 A 34 34 THR HA H 34 4.379 4.343 0.036 1
1 342 . 3 1 1 A 34 34 THR CB C 34 69.838 68.740 1.098 1
1 348 . 3 1 1 A 34 34 THR C C 34 175.262 174.556 0.706 1
1 349 . 3 1 1 A 35 35 GLY N N 35 111.103 110.162 0.941 1
1 350 . 3 1 1 A 35 35 GLY H H 35 8.318 7.777 0.541 1
1 351 . 3 1 1 A 35 35 GLY CA C 35 45.398 46.165 -0.767 1
1 352 . 3 1 1 A 35 35 GLY HA2 H 35 3.994 3.988 0.006 1
1 353 . 3 1 1 A 35 35 GLY HA3 H 35 3.994 3.998 -0.004 1
1 354 . 3 1 1 A 35 35 GLY C C 35 173.875 173.366 0.509 1
1 355 . 3 1 1 A 36 36 VAL N N 36 119.868 118.632 1.236 1
1 356 . 3 1 1 A 36 36 VAL H H 36 7.956 7.920 0.036 1
1 357 . 3 1 1 A 36 36 VAL CA C 36 62.215 59.760 2.455 1
1 358 . 3 1 1 A 36 36 VAL HA H 36 4.087 4.746 -0.659 1
1 359 . 3 1 1 A 36 36 VAL CB C 36 32.793 34.868 -2.075 1
1 369 . 3 1 1 A 36 36 VAL C C 36 176.041 173.845 2.196 1
1 370 . 3 1 1 A 37 37 LYS N N 37 127.378 127.459 -0.081 1
1 371 . 3 1 1 A 37 37 LYS H H 37 8.475 8.573 -0.098 1
1 372 . 3 1 1 A 37 37 LYS CA C 37 54.080 54.413 -0.333 1
1 373 . 3 1 1 A 37 37 LYS HA H 37 4.624 4.634 -0.010 1
1 374 . 3 1 1 A 37 37 LYS CB C 37 32.545 36.350 -3.805 1
1 385 . 3 1 1 A 37 37 LYS C C 37 174.473 173.715 0.758 1
1 386 . 3 1 1 A 38 38 PRO CA C 38 63.166 62.325 0.841 1
1 387 . 3 1 1 A 38 38 PRO HA H 38 4.465 4.735 -0.270 1
1 388 . 3 1 1 A 38 38 PRO CB C 38 32.220 29.675 2.545 1
1 397 . 3 1 1 A 41 41 PRO CA C 41 63.295 63.499 -0.204 1
1 398 . 3 1 1 A 41 41 PRO HA H 41 4.485 4.351 0.134 1
1 399 . 3 1 1 A 41 41 PRO CB C 41 32.225 31.577 0.648 1
1 408 . 3 1 1 A 43 43 SER CA C 43 58.583 57.864 0.719 1
1 409 . 3 1 1 A 43 43 SER HA H 43 4.460 4.793 -0.333 1
1 410 . 3 1 1 A 43 43 SER CB C 43 63.880 63.704 0.176 1
1 413 . 3 1 1 A 43 43 SER C C 43 173.861 174.939 -1.078 1
1 1 . 4 1 1 A 7 7 GLY N N 7 110.455 116.008 -5.553 1
1 2 . 4 1 1 A 7 7 GLY H H 7 8.367 8.445 -0.078 1
1 3 . 4 1 1 A 7 7 GLY CA C 7 45.260 43.913 1.347 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 3.916 4.021 -0.105 1
1 5 . 4 1 1 A 7 7 GLY HA3 H 7 3.916 4.023 -0.107 1
1 6 . 4 1 1 A 7 7 GLY C C 7 174.007 172.658 1.349 1
1 7 . 4 1 1 A 8 8 GLU N N 8 120.208 120.866 -0.658 1
1 8 . 4 1 1 A 8 8 GLU H H 8 8.176 8.386 -0.210 1
1 9 . 4 1 1 A 8 8 GLU CA C 8 56.854 54.861 1.993 1
1 10 . 4 1 1 A 8 8 GLU HA H 8 4.160 5.010 -0.850 1
1 11 . 4 1 1 A 8 8 GLU CB C 8 30.376 33.438 -3.062 1
1 17 . 4 1 1 A 8 8 GLU C C 8 176.369 175.253 1.116 1
1 18 . 4 1 1 A 9 9 LYS N N 9 121.925 124.527 -2.602 1
1 19 . 4 1 1 A 9 9 LYS H H 9 8.248 8.802 -0.554 1
1 20 . 4 1 1 A 9 9 LYS CA C 9 53.835 52.298 1.537 1
1 21 . 4 1 1 A 9 9 LYS HA H 9 4.472 4.886 -0.414 1
1 22 . 4 1 1 A 9 9 LYS CB C 9 33.228 33.601 -0.373 1
1 34 . 4 1 1 A 9 9 LYS C C 9 174.035 175.937 -1.902 1
1 35 . 4 1 1 A 10 10 PRO CA C 10 63.591 63.803 -0.212 1
1 36 . 4 1 1 A 10 10 PRO HA H 10 4.246 4.323 -0.077 1
1 37 . 4 1 1 A 10 10 PRO CB C 10 32.267 31.206 1.061 1
1 46 . 4 1 1 A 10 10 PRO C C 10 176.492 175.602 0.890 1
1 47 . 4 1 1 A 11 11 TYR N N 11 117.866 119.506 -1.640 1
1 48 . 4 1 1 A 11 11 TYR H H 11 7.767 7.091 0.676 1
1 49 . 4 1 1 A 11 11 TYR CA C 11 57.355 56.675 0.680 1
1 50 . 4 1 1 A 11 11 TYR HA H 11 4.731 5.342 -0.611 1
1 51 . 4 1 1 A 11 11 TYR CB C 11 38.877 40.776 -1.899 1
1 62 . 4 1 1 A 11 11 TYR C C 11 174.849 174.805 0.044 1
1 63 . 4 1 1 A 12 12 SER N N 12 117.933 120.933 -3.000 1
1 64 . 4 1 1 A 12 12 SER H H 12 8.645 9.005 -0.360 1
1 65 . 4 1 1 A 12 12 SER CA C 12 57.174 57.528 -0.354 1
1 66 . 4 1 1 A 12 12 SER HA H 12 5.270 5.525 -0.255 1
1 67 . 4 1 1 A 12 12 SER CB C 12 65.458 66.404 -0.946 1
1 70 . 4 1 1 A 12 12 SER C C 12 173.243 172.655 0.588 1
1 71 . 4 1 1 A 13 13 CYS N N 13 125.607 124.765 0.842 1
1 72 . 4 1 1 A 13 13 CYS H H 13 9.185 9.462 -0.277 1
1 73 . 4 1 1 A 13 13 CYS CA C 13 59.445 59.353 0.092 1
1 74 . 4 1 1 A 13 13 CYS HA H 13 4.513 4.692 -0.179 1
1 75 . 4 1 1 A 13 13 CYS CB C 13 30.133 28.886 1.247 1
1 78 . 4 1 1 A 13 13 CYS C C 13 176.806 174.392 2.414 1
1 79 . 4 1 1 A 14 14 ASN CA C 14 55.571 54.353 1.218 1
1 80 . 4 1 1 A 14 14 ASN HA H 14 4.532 4.902 -0.370 1
1 81 . 4 1 1 A 14 14 ASN CB C 14 37.747 41.376 -3.629 1
1 87 . 4 1 1 A 14 14 ASN C C 14 175.128 177.252 -2.124 1
1 88 . 4 1 1 A 15 15 GLU N N 15 121.346 118.733 2.613 1
1 89 . 4 1 1 A 15 15 GLU H H 15 8.862 8.214 0.648 1
1 90 . 4 1 1 A 15 15 GLU CA C 15 58.395 59.267 -0.872 1
1 91 . 4 1 1 A 15 15 GLU HA H 15 4.262 3.981 0.281 1
1 92 . 4 1 1 A 15 15 GLU CB C 15 29.692 29.049 0.643 1
1 98 . 4 1 1 A 15 15 GLU C C 15 177.050 178.379 -1.329 1
1 99 . 4 1 1 A 16 16 CYS N N 16 115.108 114.787 0.321 1
1 100 . 4 1 1 A 16 16 CYS H H 16 7.955 7.020 0.935 1
1 101 . 4 1 1 A 16 16 CYS CA C 16 58.406 59.803 -1.397 1
1 102 . 4 1 1 A 16 16 CYS HA H 16 5.166 4.479 0.687 1
1 103 . 4 1 1 A 16 16 CYS CB C 16 32.552 29.430 3.122 1
1 106 . 4 1 1 A 16 16 CYS C C 16 176.113 175.158 0.955 1
1 107 . 4 1 1 A 17 17 GLY N N 17 113.282 108.967 4.315 1
1 108 . 4 1 1 A 17 17 GLY H H 17 8.210 7.478 0.732 1
1 109 . 4 1 1 A 17 17 GLY CA C 17 46.158 44.807 1.351 1
1 110 . 4 1 1 A 17 17 GLY HA2 H 17 4.229 4.090 0.139 1
1 111 . 4 1 1 A 17 17 GLY HA3 H 17 3.869 4.104 -0.235 1
1 112 . 4 1 1 A 17 17 GLY C C 17 174.168 172.125 2.043 1
1 113 . 4 1 1 A 18 18 LYS N N 18 123.728 124.089 -0.361 1
1 114 . 4 1 1 A 18 18 LYS H H 18 8.024 8.502 -0.478 1
1 115 . 4 1 1 A 18 18 LYS CA C 18 58.388 55.498 2.890 1
1 116 . 4 1 1 A 18 18 LYS HA H 18 3.899 4.647 -0.748 1
1 117 . 4 1 1 A 18 18 LYS CB C 18 33.570 35.945 -2.375 1
1 129 . 4 1 1 A 18 18 LYS C C 18 173.522 173.972 -0.450 1
1 130 . 4 1 1 A 19 19 ALA N N 19 124.052 123.505 0.547 1
1 131 . 4 1 1 A 19 19 ALA H H 19 7.694 8.501 -0.807 1
1 132 . 4 1 1 A 19 19 ALA CA C 19 50.399 49.877 0.522 1
1 133 . 4 1 1 A 19 19 ALA HA H 19 5.061 5.520 -0.459 1
1 134 . 4 1 1 A 19 19 ALA CB C 19 22.152 23.107 -0.955 1
1 138 . 4 1 1 A 19 19 ALA C C 19 176.089 175.131 0.958 1
1 139 . 4 1 1 A 20 20 PHE N N 20 116.696 115.985 0.711 1
1 140 . 4 1 1 A 20 20 PHE H H 20 8.620 9.087 -0.467 1
1 141 . 4 1 1 A 20 20 PHE CA C 20 57.273 56.634 0.639 1
1 142 . 4 1 1 A 20 20 PHE HA H 20 4.731 4.843 -0.112 1
1 143 . 4 1 1 A 20 20 PHE CB C 20 43.640 43.336 0.304 1
1 156 . 4 1 1 A 20 20 PHE C C 20 174.983 175.638 -0.655 1
1 157 . 4 1 1 A 21 21 THR N N 21 118.634 115.715 2.919 1
1 158 . 4 1 1 A 21 21 THR H H 21 8.744 8.421 0.323 1
1 159 . 4 1 1 A 21 21 THR CA C 21 66.285 63.681 2.604 1
1 160 . 4 1 1 A 21 21 THR HA H 21 4.059 4.371 -0.312 1
1 161 . 4 1 1 A 21 21 THR CB C 21 69.676 69.325 0.351 1
1 167 . 4 1 1 A 21 21 THR C C 21 173.364 174.860 -1.496 1
1 168 . 4 1 1 A 22 22 PHE N N 22 114.894 117.644 -2.750 1
1 169 . 4 1 1 A 22 22 PHE H H 22 7.843 7.773 0.070 1
1 170 . 4 1 1 A 22 22 PHE CA C 22 55.721 56.082 -0.361 1
1 171 . 4 1 1 A 22 22 PHE HA H 22 5.181 4.827 0.354 1
1 172 . 4 1 1 A 22 22 PHE CB C 22 42.090 42.297 -0.207 1
1 185 . 4 1 1 A 22 22 PHE C C 22 176.381 175.366 1.015 1
1 186 . 4 1 1 A 23 23 LYS N N 23 127.457 123.396 4.061 1
1 187 . 4 1 1 A 23 23 LYS H H 23 8.657 8.383 0.274 1
1 188 . 4 1 1 A 23 23 LYS CA C 23 59.680 59.743 -0.063 1
1 189 . 4 1 1 A 23 23 LYS HA H 23 3.019 3.420 -0.401 1
1 190 . 4 1 1 A 23 23 LYS CB C 23 31.653 32.305 -0.652 1
1 202 . 4 1 1 A 23 23 LYS C C 23 178.376 178.145 0.231 1
1 203 . 4 1 1 A 24 24 SER N N 24 112.175 115.390 -3.215 1
1 204 . 4 1 1 A 24 24 SER H H 24 8.574 8.195 0.379 1
1 205 . 4 1 1 A 24 24 SER CA C 24 60.972 61.978 -1.006 1
1 206 . 4 1 1 A 24 24 SER HA H 24 3.910 4.069 -0.159 1
1 207 . 4 1 1 A 24 24 SER CB C 24 61.493 62.508 -1.015 1
1 210 . 4 1 1 A 24 24 SER C C 24 176.806 176.863 -0.057 1
1 211 . 4 1 1 A 25 25 GLN N N 25 119.551 120.436 -0.885 1
1 212 . 4 1 1 A 25 25 GLN H H 25 6.928 8.383 -1.455 1
1 213 . 4 1 1 A 25 25 GLN CA C 25 57.625 58.721 -1.096 1
1 214 . 4 1 1 A 25 25 GLN HA H 25 3.953 3.978 -0.025 1
1 215 . 4 1 1 A 25 25 GLN CB C 25 28.886 28.229 0.657 1
1 224 . 4 1 1 A 25 25 GLN C C 25 178.754 178.110 0.644 1
1 225 . 4 1 1 A 26 26 LEU N N 26 122.090 120.350 1.740 1
1 226 . 4 1 1 A 26 26 LEU H H 26 6.947 7.861 -0.914 1
1 227 . 4 1 1 A 26 26 LEU CA C 26 57.533 56.919 0.614 1
1 228 . 4 1 1 A 26 26 LEU HA H 26 3.309 2.634 0.675 1
1 229 . 4 1 1 A 26 26 LEU CB C 26 40.550 41.400 -0.850 1
1 242 . 4 1 1 A 26 26 LEU C C 26 177.318 178.707 -1.389 1
1 243 . 4 1 1 A 27 27 ILE N N 27 118.535 119.143 -0.608 1
1 244 . 4 1 1 A 27 27 ILE H H 27 7.955 7.950 0.005 1
1 245 . 4 1 1 A 27 27 ILE CA C 27 64.986 65.387 -0.401 1
1 246 . 4 1 1 A 27 27 ILE HA H 27 3.526 3.487 0.039 1
1 247 . 4 1 1 A 27 27 ILE CB C 27 37.335 37.577 -0.242 1
1 260 . 4 1 1 A 27 27 ILE C C 27 179.131 178.154 0.977 1
1 261 . 4 1 1 A 28 28 VAL N N 28 118.816 119.797 -0.981 1
1 262 . 4 1 1 A 28 28 VAL H H 28 7.337 7.743 -0.406 1
1 263 . 4 1 1 A 28 28 VAL CA C 28 66.188 66.241 -0.053 1
1 264 . 4 1 1 A 28 28 VAL HA H 28 3.647 3.534 0.113 1
1 265 . 4 1 1 A 28 28 VAL CB C 28 32.100 31.517 0.583 1
1 275 . 4 1 1 A 28 28 VAL C C 28 179.034 177.964 1.070 1
1 276 . 4 1 1 A 29 29 HIS N N 29 120.386 119.104 1.282 1
1 277 . 4 1 1 A 29 29 HIS H H 29 7.693 7.452 0.241 1
1 278 . 4 1 1 A 29 29 HIS CA C 29 59.203 59.152 0.051 1
1 279 . 4 1 1 A 29 29 HIS HA H 29 4.191 4.262 -0.071 1
1 280 . 4 1 1 A 29 29 HIS CB C 29 28.639 29.826 -1.187 1
1 287 . 4 1 1 A 29 29 HIS C C 29 175.639 177.031 -1.392 1
1 288 . 4 1 1 A 30 30 LYS N N 30 116.039 118.318 -2.279 1
1 289 . 4 1 1 A 30 30 LYS H H 30 8.110 8.084 0.026 1
1 290 . 4 1 1 A 30 30 LYS CA C 30 59.972 59.073 0.899 1
1 291 . 4 1 1 A 30 30 LYS HA H 30 3.744 4.018 -0.274 1
1 292 . 4 1 1 A 30 30 LYS CB C 30 31.811 32.188 -0.377 1
1 304 . 4 1 1 A 30 30 LYS C C 30 178.535 179.822 -1.287 1
1 305 . 4 1 1 A 31 31 GLY N N 31 105.302 108.167 -2.865 1
1 306 . 4 1 1 A 31 31 GLY H H 31 7.535 8.270 -0.735 1
1 307 . 4 1 1 A 31 31 GLY CA C 31 46.631 47.356 -0.725 1
1 308 . 4 1 1 A 31 31 GLY HA2 H 31 3.896 3.666 0.230 1
1 309 . 4 1 1 A 31 31 GLY HA3 H 31 4.014 3.684 0.330 1
1 310 . 4 1 1 A 31 31 GLY C C 31 175.882 176.146 -0.264 1
1 311 . 4 1 1 A 32 32 VAL N N 32 117.819 120.197 -2.378 1
1 312 . 4 1 1 A 32 32 VAL H H 32 8.006 7.950 0.056 1
1 313 . 4 1 1 A 32 32 VAL CA C 32 63.726 65.690 -1.964 1
1 314 . 4 1 1 A 32 32 VAL HA H 32 3.991 3.663 0.328 1
1 315 . 4 1 1 A 32 32 VAL CB C 32 31.119 31.050 0.069 1
1 325 . 4 1 1 A 32 32 VAL C C 32 177.331 178.018 -0.687 1
1 326 . 4 1 1 A 33 33 HIS N N 33 117.685 119.786 -2.101 1
1 327 . 4 1 1 A 33 33 HIS H H 33 7.293 7.148 0.145 1
1 328 . 4 1 1 A 33 33 HIS CA C 33 55.035 58.899 -3.864 1
1 329 . 4 1 1 A 33 33 HIS HA H 33 4.877 4.408 0.469 1
1 330 . 4 1 1 A 33 33 HIS CB C 33 28.797 31.059 -2.262 1
1 337 . 4 1 1 A 33 33 HIS C C 33 175.408 175.542 -0.134 1
1 338 . 4 1 1 A 34 34 THR N N 34 112.317 110.609 1.708 1
1 339 . 4 1 1 A 34 34 THR H H 34 7.791 7.477 0.314 1
1 340 . 4 1 1 A 34 34 THR CA C 34 62.359 63.452 -1.093 1
1 341 . 4 1 1 A 34 34 THR HA H 34 4.379 4.074 0.305 1
1 342 . 4 1 1 A 34 34 THR CB C 34 69.838 68.361 1.477 1
1 348 . 4 1 1 A 34 34 THR C C 34 175.262 175.124 0.138 1
1 349 . 4 1 1 A 35 35 GLY N N 35 111.103 113.659 -2.556 1
1 350 . 4 1 1 A 35 35 GLY H H 35 8.318 8.956 -0.638 1
1 351 . 4 1 1 A 35 35 GLY CA C 35 45.398 45.966 -0.568 1
1 352 . 4 1 1 A 35 35 GLY HA2 H 35 3.994 3.990 0.004 1
1 353 . 4 1 1 A 35 35 GLY HA3 H 35 3.994 3.993 0.001 1
1 354 . 4 1 1 A 35 35 GLY C C 35 173.875 174.473 -0.598 1
1 355 . 4 1 1 A 36 36 VAL N N 36 119.868 122.289 -2.421 1
1 356 . 4 1 1 A 36 36 VAL H H 36 7.956 7.846 0.110 1
1 357 . 4 1 1 A 36 36 VAL CA C 36 62.215 62.869 -0.654 1
1 358 . 4 1 1 A 36 36 VAL HA H 36 4.087 3.934 0.153 1
1 359 . 4 1 1 A 36 36 VAL CB C 36 32.793 31.698 1.095 1
1 369 . 4 1 1 A 36 36 VAL C C 36 176.041 175.624 0.417 1
1 370 . 4 1 1 A 37 37 LYS N N 37 127.378 126.607 0.771 1
1 371 . 4 1 1 A 37 37 LYS H H 37 8.475 8.612 -0.137 1
1 372 . 4 1 1 A 37 37 LYS CA C 37 54.080 53.012 1.068 1
1 373 . 4 1 1 A 37 37 LYS HA H 37 4.624 4.865 -0.241 1
1 374 . 4 1 1 A 37 37 LYS CB C 37 32.545 34.777 -2.232 1
1 385 . 4 1 1 A 37 37 LYS C C 37 174.473 174.175 0.298 1
1 386 . 4 1 1 A 38 38 PRO CA C 38 63.166 62.234 0.932 1
1 387 . 4 1 1 A 38 38 PRO HA H 38 4.465 4.744 -0.279 1
1 388 . 4 1 1 A 38 38 PRO CB C 38 32.220 29.573 2.647 1
1 397 . 4 1 1 A 41 41 PRO CA C 41 63.295 63.234 0.061 1
1 398 . 4 1 1 A 41 41 PRO HA H 41 4.485 4.302 0.183 1
1 399 . 4 1 1 A 41 41 PRO CB C 41 32.225 32.202 0.023 1
1 408 . 4 1 1 A 43 43 SER CA C 43 58.583 60.137 -1.554 1
1 409 . 4 1 1 A 43 43 SER HA H 43 4.460 4.306 0.154 1
1 410 . 4 1 1 A 43 43 SER CB C 43 63.880 63.940 -0.060 1
1 413 . 4 1 1 A 43 43 SER C C 43 173.861 174.534 -0.673 1
1 1 . 5 1 1 A 7 7 GLY N N 7 110.455 109.920 0.535 1
1 2 . 5 1 1 A 7 7 GLY H H 7 8.367 7.797 0.570 1
1 3 . 5 1 1 A 7 7 GLY CA C 7 45.260 44.468 0.792 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 3.916 4.108 -0.192 1
1 5 . 5 1 1 A 7 7 GLY HA3 H 7 3.916 4.113 -0.197 1
1 6 . 5 1 1 A 7 7 GLY C C 7 174.007 173.089 0.918 1
1 7 . 5 1 1 A 8 8 GLU N N 8 120.208 120.101 0.107 1
1 8 . 5 1 1 A 8 8 GLU H H 8 8.176 8.612 -0.436 1
1 9 . 5 1 1 A 8 8 GLU CA C 8 56.854 54.906 1.948 1
1 10 . 5 1 1 A 8 8 GLU HA H 8 4.160 4.976 -0.816 1
1 11 . 5 1 1 A 8 8 GLU CB C 8 30.376 33.210 -2.834 1
1 17 . 5 1 1 A 8 8 GLU C C 8 176.369 175.235 1.134 1
1 18 . 5 1 1 A 9 9 LYS N N 9 121.925 124.317 -2.392 1
1 19 . 5 1 1 A 9 9 LYS H H 9 8.248 8.933 -0.685 1
1 20 . 5 1 1 A 9 9 LYS CA C 9 53.835 52.470 1.365 1
1 21 . 5 1 1 A 9 9 LYS HA H 9 4.472 4.941 -0.469 1
1 22 . 5 1 1 A 9 9 LYS CB C 9 33.228 32.909 0.319 1
1 34 . 5 1 1 A 9 9 LYS C C 9 174.035 176.306 -2.271 1
1 35 . 5 1 1 A 10 10 PRO CA C 10 63.591 63.839 -0.248 1
1 36 . 5 1 1 A 10 10 PRO HA H 10 4.246 4.360 -0.114 1
1 37 . 5 1 1 A 10 10 PRO CB C 10 32.267 31.268 0.999 1
1 46 . 5 1 1 A 10 10 PRO C C 10 176.492 175.620 0.872 1
1 47 . 5 1 1 A 11 11 TYR N N 11 117.866 119.620 -1.754 1
1 48 . 5 1 1 A 11 11 TYR H H 11 7.767 7.140 0.627 1
1 49 . 5 1 1 A 11 11 TYR CA C 11 57.355 56.824 0.531 1
1 50 . 5 1 1 A 11 11 TYR HA H 11 4.731 5.349 -0.618 1
1 51 . 5 1 1 A 11 11 TYR CB C 11 38.877 40.480 -1.603 1
1 62 . 5 1 1 A 11 11 TYR C C 11 174.849 175.049 -0.200 1
1 63 . 5 1 1 A 12 12 SER N N 12 117.933 117.690 0.243 1
1 64 . 5 1 1 A 12 12 SER H H 12 8.645 9.132 -0.487 1
1 65 . 5 1 1 A 12 12 SER CA C 12 57.174 56.480 0.694 1
1 66 . 5 1 1 A 12 12 SER HA H 12 5.270 5.700 -0.430 1
1 67 . 5 1 1 A 12 12 SER CB C 12 65.458 66.046 -0.588 1
1 70 . 5 1 1 A 12 12 SER C C 12 173.243 172.674 0.569 1
1 71 . 5 1 1 A 13 13 CYS N N 13 125.607 122.741 2.866 1
1 72 . 5 1 1 A 13 13 CYS H H 13 9.185 9.408 -0.223 1
1 73 . 5 1 1 A 13 13 CYS CA C 13 59.445 59.004 0.441 1
1 74 . 5 1 1 A 13 13 CYS HA H 13 4.513 4.759 -0.246 1
1 75 . 5 1 1 A 13 13 CYS CB C 13 30.133 29.263 0.870 1
1 78 . 5 1 1 A 13 13 CYS C C 13 176.806 174.359 2.447 1
1 79 . 5 1 1 A 14 14 ASN CA C 14 55.571 54.061 1.510 1
1 80 . 5 1 1 A 14 14 ASN HA H 14 4.532 4.880 -0.348 1
1 81 . 5 1 1 A 14 14 ASN CB C 14 37.747 40.562 -2.815 1
1 87 . 5 1 1 A 14 14 ASN C C 14 175.128 177.132 -2.004 1
1 88 . 5 1 1 A 15 15 GLU N N 15 121.346 118.596 2.750 1
1 89 . 5 1 1 A 15 15 GLU H H 15 8.862 8.185 0.677 1
1 90 . 5 1 1 A 15 15 GLU CA C 15 58.395 59.274 -0.879 1
1 91 . 5 1 1 A 15 15 GLU HA H 15 4.262 3.993 0.269 1
1 92 . 5 1 1 A 15 15 GLU CB C 15 29.692 29.069 0.623 1
1 98 . 5 1 1 A 15 15 GLU C C 15 177.050 177.815 -0.765 1
1 99 . 5 1 1 A 16 16 CYS N N 16 115.108 114.570 0.538 1
1 100 . 5 1 1 A 16 16 CYS H H 16 7.955 7.119 0.836 1
1 101 . 5 1 1 A 16 16 CYS CA C 16 58.406 59.582 -1.176 1
1 102 . 5 1 1 A 16 16 CYS HA H 16 5.166 4.511 0.655 1
1 103 . 5 1 1 A 16 16 CYS CB C 16 32.552 29.579 2.973 1
1 106 . 5 1 1 A 16 16 CYS C C 16 176.113 175.174 0.939 1
1 107 . 5 1 1 A 17 17 GLY N N 17 113.282 109.573 3.709 1
1 108 . 5 1 1 A 17 17 GLY H H 17 8.210 7.533 0.677 1
1 109 . 5 1 1 A 17 17 GLY CA C 17 46.158 44.769 1.389 1
1 110 . 5 1 1 A 17 17 GLY HA2 H 17 4.229 4.065 0.164 1
1 111 . 5 1 1 A 17 17 GLY HA3 H 17 3.869 4.082 -0.213 1
1 112 . 5 1 1 A 17 17 GLY C C 17 174.168 172.078 2.090 1
1 113 . 5 1 1 A 18 18 LYS N N 18 123.728 123.909 -0.181 1
1 114 . 5 1 1 A 18 18 LYS H H 18 8.024 8.496 -0.472 1
1 115 . 5 1 1 A 18 18 LYS CA C 18 58.388 55.394 2.994 1
1 116 . 5 1 1 A 18 18 LYS HA H 18 3.899 4.627 -0.728 1
1 117 . 5 1 1 A 18 18 LYS CB C 18 33.570 35.739 -2.169 1
1 129 . 5 1 1 A 18 18 LYS C C 18 173.522 174.188 -0.666 1
1 130 . 5 1 1 A 19 19 ALA N N 19 124.052 123.144 0.908 1
1 131 . 5 1 1 A 19 19 ALA H H 19 7.694 8.402 -0.708 1
1 132 . 5 1 1 A 19 19 ALA CA C 19 50.399 49.999 0.400 1
1 133 . 5 1 1 A 19 19 ALA HA H 19 5.061 5.541 -0.480 1
1 134 . 5 1 1 A 19 19 ALA CB C 19 22.152 23.770 -1.618 1
1 138 . 5 1 1 A 19 19 ALA C C 19 176.089 175.074 1.015 1
1 139 . 5 1 1 A 20 20 PHE N N 20 116.696 116.147 0.549 1
1 140 . 5 1 1 A 20 20 PHE H H 20 8.620 9.018 -0.398 1
1 141 . 5 1 1 A 20 20 PHE CA C 20 57.273 56.612 0.661 1
1 142 . 5 1 1 A 20 20 PHE HA H 20 4.731 4.859 -0.128 1
1 143 . 5 1 1 A 20 20 PHE CB C 20 43.640 43.353 0.287 1
1 156 . 5 1 1 A 20 20 PHE C C 20 174.983 175.664 -0.681 1
1 157 . 5 1 1 A 21 21 THR N N 21 118.634 116.112 2.522 1
1 158 . 5 1 1 A 21 21 THR H H 21 8.744 8.917 -0.173 1
1 159 . 5 1 1 A 21 21 THR CA C 21 66.285 63.991 2.294 1
1 160 . 5 1 1 A 21 21 THR HA H 21 4.059 4.515 -0.456 1
1 161 . 5 1 1 A 21 21 THR CB C 21 69.676 69.621 0.055 1
1 167 . 5 1 1 A 21 21 THR C C 21 173.364 174.972 -1.608 1
1 168 . 5 1 1 A 22 22 PHE N N 22 114.894 117.940 -3.046 1
1 169 . 5 1 1 A 22 22 PHE H H 22 7.843 8.224 -0.381 1
1 170 . 5 1 1 A 22 22 PHE CA C 22 55.721 56.397 -0.676 1
1 171 . 5 1 1 A 22 22 PHE HA H 22 5.181 4.811 0.370 1
1 172 . 5 1 1 A 22 22 PHE CB C 22 42.090 41.852 0.238 1
1 185 . 5 1 1 A 22 22 PHE C C 22 176.381 175.354 1.027 1
1 186 . 5 1 1 A 23 23 LYS N N 23 127.457 123.566 3.891 1
1 187 . 5 1 1 A 23 23 LYS H H 23 8.657 8.214 0.443 1
1 188 . 5 1 1 A 23 23 LYS CA C 23 59.680 59.645 0.035 1
1 189 . 5 1 1 A 23 23 LYS HA H 23 3.019 3.418 -0.399 1
1 190 . 5 1 1 A 23 23 LYS CB C 23 31.653 32.193 -0.540 1
1 202 . 5 1 1 A 23 23 LYS C C 23 178.376 177.920 0.456 1
1 203 . 5 1 1 A 24 24 SER N N 24 112.175 114.728 -2.553 1
1 204 . 5 1 1 A 24 24 SER H H 24 8.574 8.378 0.196 1
1 205 . 5 1 1 A 24 24 SER CA C 24 60.972 61.416 -0.444 1
1 206 . 5 1 1 A 24 24 SER HA H 24 3.910 4.163 -0.253 1
1 207 . 5 1 1 A 24 24 SER CB C 24 61.493 62.636 -1.143 1
1 210 . 5 1 1 A 24 24 SER C C 24 176.806 176.920 -0.114 1
1 211 . 5 1 1 A 25 25 GLN N N 25 119.551 120.015 -0.464 1
1 212 . 5 1 1 A 25 25 GLN H H 25 6.928 8.267 -1.339 1
1 213 . 5 1 1 A 25 25 GLN CA C 25 57.625 58.723 -1.098 1
1 214 . 5 1 1 A 25 25 GLN HA H 25 3.953 3.987 -0.034 1
1 215 . 5 1 1 A 25 25 GLN CB C 25 28.886 28.429 0.457 1
1 224 . 5 1 1 A 25 25 GLN C C 25 178.754 177.553 1.201 1
1 225 . 5 1 1 A 26 26 LEU N N 26 122.090 120.486 1.604 1
1 226 . 5 1 1 A 26 26 LEU H H 26 6.947 7.786 -0.839 1
1 227 . 5 1 1 A 26 26 LEU CA C 26 57.533 57.037 0.496 1
1 228 . 5 1 1 A 26 26 LEU HA H 26 3.309 2.855 0.454 1
1 229 . 5 1 1 A 26 26 LEU CB C 26 40.550 41.844 -1.294 1
1 242 . 5 1 1 A 26 26 LEU C C 26 177.318 178.539 -1.221 1
1 243 . 5 1 1 A 27 27 ILE N N 27 118.535 119.499 -0.964 1
1 244 . 5 1 1 A 27 27 ILE H H 27 7.955 7.976 -0.021 1
1 245 . 5 1 1 A 27 27 ILE CA C 27 64.986 65.286 -0.300 1
1 246 . 5 1 1 A 27 27 ILE HA H 27 3.526 3.557 -0.031 1
1 247 . 5 1 1 A 27 27 ILE CB C 27 37.335 37.644 -0.309 1
1 260 . 5 1 1 A 27 27 ILE C C 27 179.131 178.241 0.890 1
1 261 . 5 1 1 A 28 28 VAL N N 28 118.816 120.001 -1.185 1
1 262 . 5 1 1 A 28 28 VAL H H 28 7.337 7.803 -0.466 1
1 263 . 5 1 1 A 28 28 VAL CA C 28 66.188 66.252 -0.064 1
1 264 . 5 1 1 A 28 28 VAL HA H 28 3.647 3.494 0.153 1
1 265 . 5 1 1 A 28 28 VAL CB C 28 32.100 31.616 0.484 1
1 275 . 5 1 1 A 28 28 VAL C C 28 179.034 178.036 0.998 1
1 276 . 5 1 1 A 29 29 HIS N N 29 120.386 119.135 1.251 1
1 277 . 5 1 1 A 29 29 HIS H H 29 7.693 7.613 0.080 1
1 278 . 5 1 1 A 29 29 HIS CA C 29 59.203 58.870 0.333 1
1 279 . 5 1 1 A 29 29 HIS HA H 29 4.191 4.190 0.001 1
1 280 . 5 1 1 A 29 29 HIS CB C 29 28.639 29.848 -1.209 1
1 287 . 5 1 1 A 29 29 HIS C C 29 175.639 176.777 -1.138 1
1 288 . 5 1 1 A 30 30 LYS N N 30 116.039 118.423 -2.384 1
1 289 . 5 1 1 A 30 30 LYS H H 30 8.110 8.047 0.063 1
1 290 . 5 1 1 A 30 30 LYS CA C 30 59.972 58.950 1.022 1
1 291 . 5 1 1 A 30 30 LYS HA H 30 3.744 4.008 -0.264 1
1 292 . 5 1 1 A 30 30 LYS CB C 30 31.811 32.221 -0.410 1
1 304 . 5 1 1 A 30 30 LYS C C 30 178.535 179.905 -1.370 1
1 305 . 5 1 1 A 31 31 GLY N N 31 105.302 108.106 -2.804 1
1 306 . 5 1 1 A 31 31 GLY H H 31 7.535 7.795 -0.260 1
1 307 . 5 1 1 A 31 31 GLY CA C 31 46.631 46.745 -0.114 1
1 308 . 5 1 1 A 31 31 GLY HA2 H 31 3.896 3.695 0.201 1
1 309 . 5 1 1 A 31 31 GLY HA3 H 31 4.014 3.714 0.300 1
1 310 . 5 1 1 A 31 31 GLY C C 31 175.882 176.229 -0.347 1
1 311 . 5 1 1 A 32 32 VAL N N 32 117.819 119.562 -1.743 1
1 312 . 5 1 1 A 32 32 VAL H H 32 8.006 7.737 0.269 1
1 313 . 5 1 1 A 32 32 VAL CA C 32 63.726 65.593 -1.867 1
1 314 . 5 1 1 A 32 32 VAL HA H 32 3.991 3.754 0.237 1
1 315 . 5 1 1 A 32 32 VAL CB C 32 31.119 30.974 0.145 1
1 325 . 5 1 1 A 32 32 VAL C C 32 177.331 176.852 0.479 1
1 326 . 5 1 1 A 33 33 HIS N N 33 117.685 119.136 -1.451 1
1 327 . 5 1 1 A 33 33 HIS H H 33 7.293 7.101 0.192 1
1 328 . 5 1 1 A 33 33 HIS CA C 33 55.035 57.656 -2.621 1
1 329 . 5 1 1 A 33 33 HIS HA H 33 4.877 4.472 0.405 1
1 330 . 5 1 1 A 33 33 HIS CB C 33 28.797 31.098 -2.301 1
1 337 . 5 1 1 A 33 33 HIS C C 33 175.408 175.470 -0.062 1
1 338 . 5 1 1 A 34 34 THR N N 34 112.317 110.019 2.298 1
1 339 . 5 1 1 A 34 34 THR H H 34 7.791 7.344 0.447 1
1 340 . 5 1 1 A 34 34 THR CA C 34 62.359 63.406 -1.047 1
1 341 . 5 1 1 A 34 34 THR HA H 34 4.379 4.111 0.268 1
1 342 . 5 1 1 A 34 34 THR CB C 34 69.838 68.358 1.480 1
1 348 . 5 1 1 A 34 34 THR C C 34 175.262 174.921 0.341 1
1 349 . 5 1 1 A 35 35 GLY N N 35 111.103 112.882 -1.779 1
1 350 . 5 1 1 A 35 35 GLY H H 35 8.318 8.750 -0.432 1
1 351 . 5 1 1 A 35 35 GLY CA C 35 45.398 45.683 -0.285 1
1 352 . 5 1 1 A 35 35 GLY HA2 H 35 3.994 4.025 -0.031 1
1 353 . 5 1 1 A 35 35 GLY HA3 H 35 3.994 4.029 -0.035 1
1 354 . 5 1 1 A 35 35 GLY C C 35 173.875 174.690 -0.815 1
1 355 . 5 1 1 A 36 36 VAL N N 36 119.868 120.333 -0.465 1
1 356 . 5 1 1 A 36 36 VAL H H 36 7.956 7.875 0.081 1
1 357 . 5 1 1 A 36 36 VAL CA C 36 62.215 62.410 -0.195 1
1 358 . 5 1 1 A 36 36 VAL HA H 36 4.087 4.073 0.014 1
1 359 . 5 1 1 A 36 36 VAL CB C 36 32.793 32.109 0.684 1
1 369 . 5 1 1 A 36 36 VAL C C 36 176.041 175.528 0.513 1
1 370 . 5 1 1 A 37 37 LYS N N 37 127.378 126.723 0.655 1
1 371 . 5 1 1 A 37 37 LYS H H 37 8.475 8.435 0.040 1
1 372 . 5 1 1 A 37 37 LYS CA C 37 54.080 53.738 0.342 1
1 373 . 5 1 1 A 37 37 LYS HA H 37 4.624 4.955 -0.331 1
1 374 . 5 1 1 A 37 37 LYS CB C 37 32.545 32.949 -0.404 1
1 385 . 5 1 1 A 37 37 LYS C C 37 174.473 173.577 0.896 1
1 386 . 5 1 1 A 38 38 PRO CA C 38 63.166 62.857 0.309 1
1 387 . 5 1 1 A 38 38 PRO HA H 38 4.465 4.528 -0.063 1
1 388 . 5 1 1 A 38 38 PRO CB C 38 32.220 32.480 -0.260 1
1 397 . 5 1 1 A 41 41 PRO CA C 41 63.295 64.876 -1.581 1
1 398 . 5 1 1 A 41 41 PRO HA H 41 4.485 4.410 0.075 1
1 399 . 5 1 1 A 41 41 PRO CB C 41 32.225 31.930 0.295 1
1 408 . 5 1 1 A 43 43 SER CA C 43 58.583 57.947 0.636 1
1 409 . 5 1 1 A 43 43 SER HA H 43 4.460 5.043 -0.583 1
1 410 . 5 1 1 A 43 43 SER CB C 43 63.880 64.311 -0.431 1
1 413 . 5 1 1 A 43 43 SER C C 43 173.861 174.099 -0.238 1
1 1 . 6 1 1 A 7 7 GLY N N 7 110.455 113.237 -2.782 1
1 2 . 6 1 1 A 7 7 GLY H H 7 8.367 8.533 -0.166 1
1 3 . 6 1 1 A 7 7 GLY CA C 7 45.260 44.096 1.164 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 3.916 4.193 -0.277 1
1 5 . 6 1 1 A 7 7 GLY HA3 H 7 3.916 4.202 -0.286 1
1 6 . 6 1 1 A 7 7 GLY C C 7 174.007 173.180 0.827 1
1 7 . 6 1 1 A 8 8 GLU N N 8 120.208 120.195 0.013 1
1 8 . 6 1 1 A 8 8 GLU H H 8 8.176 8.466 -0.290 1
1 9 . 6 1 1 A 8 8 GLU CA C 8 56.854 56.285 0.569 1
1 10 . 6 1 1 A 8 8 GLU HA H 8 4.160 4.282 -0.122 1
1 11 . 6 1 1 A 8 8 GLU CB C 8 30.376 30.918 -0.542 1
1 17 . 6 1 1 A 8 8 GLU C C 8 176.369 175.985 0.384 1
1 18 . 6 1 1 A 9 9 LYS N N 9 121.925 122.200 -0.275 1
1 19 . 6 1 1 A 9 9 LYS H H 9 8.248 8.657 -0.409 1
1 20 . 6 1 1 A 9 9 LYS CA C 9 53.835 52.252 1.583 1
1 21 . 6 1 1 A 9 9 LYS HA H 9 4.472 4.907 -0.435 1
1 22 . 6 1 1 A 9 9 LYS CB C 9 33.228 33.131 0.097 1
1 34 . 6 1 1 A 9 9 LYS C C 9 174.035 176.138 -2.103 1
1 35 . 6 1 1 A 10 10 PRO CA C 10 63.591 63.815 -0.224 1
1 36 . 6 1 1 A 10 10 PRO HA H 10 4.246 4.340 -0.094 1
1 37 . 6 1 1 A 10 10 PRO CB C 10 32.267 31.297 0.970 1
1 46 . 6 1 1 A 10 10 PRO C C 10 176.492 175.620 0.872 1
1 47 . 6 1 1 A 11 11 TYR N N 11 117.866 119.534 -1.668 1
1 48 . 6 1 1 A 11 11 TYR H H 11 7.767 7.085 0.682 1
1 49 . 6 1 1 A 11 11 TYR CA C 11 57.355 56.688 0.667 1
1 50 . 6 1 1 A 11 11 TYR HA H 11 4.731 5.299 -0.568 1
1 51 . 6 1 1 A 11 11 TYR CB C 11 38.877 40.572 -1.695 1
1 62 . 6 1 1 A 11 11 TYR C C 11 174.849 174.807 0.042 1
1 63 . 6 1 1 A 12 12 SER N N 12 117.933 121.129 -3.196 1
1 64 . 6 1 1 A 12 12 SER H H 12 8.645 9.011 -0.366 1
1 65 . 6 1 1 A 12 12 SER CA C 12 57.174 57.611 -0.437 1
1 66 . 6 1 1 A 12 12 SER HA H 12 5.270 5.470 -0.200 1
1 67 . 6 1 1 A 12 12 SER CB C 12 65.458 66.351 -0.893 1
1 70 . 6 1 1 A 12 12 SER C C 12 173.243 172.808 0.435 1
1 71 . 6 1 1 A 13 13 CYS N N 13 125.607 124.861 0.746 1
1 72 . 6 1 1 A 13 13 CYS H H 13 9.185 9.327 -0.142 1
1 73 . 6 1 1 A 13 13 CYS CA C 13 59.445 59.456 -0.011 1
1 74 . 6 1 1 A 13 13 CYS HA H 13 4.513 4.681 -0.168 1
1 75 . 6 1 1 A 13 13 CYS CB C 13 30.133 28.862 1.271 1
1 78 . 6 1 1 A 13 13 CYS C C 13 176.806 174.675 2.131 1
1 79 . 6 1 1 A 14 14 ASN CA C 14 55.571 54.216 1.355 1
1 80 . 6 1 1 A 14 14 ASN HA H 14 4.532 5.019 -0.487 1
1 81 . 6 1 1 A 14 14 ASN CB C 14 37.747 40.362 -2.615 1
1 87 . 6 1 1 A 14 14 ASN C C 14 175.128 177.049 -1.921 1
1 88 . 6 1 1 A 15 15 GLU N N 15 121.346 119.296 2.050 1
1 89 . 6 1 1 A 15 15 GLU H H 15 8.862 8.236 0.626 1
1 90 . 6 1 1 A 15 15 GLU CA C 15 58.395 59.276 -0.881 1
1 91 . 6 1 1 A 15 15 GLU HA H 15 4.262 3.989 0.273 1
1 92 . 6 1 1 A 15 15 GLU CB C 15 29.692 29.096 0.596 1
1 98 . 6 1 1 A 15 15 GLU C C 15 177.050 178.452 -1.402 1
1 99 . 6 1 1 A 16 16 CYS N N 16 115.108 114.940 0.168 1
1 100 . 6 1 1 A 16 16 CYS H H 16 7.955 6.969 0.986 1
1 101 . 6 1 1 A 16 16 CYS CA C 16 58.406 59.818 -1.412 1
1 102 . 6 1 1 A 16 16 CYS HA H 16 5.166 4.447 0.719 1
1 103 . 6 1 1 A 16 16 CYS CB C 16 32.552 29.308 3.244 1
1 106 . 6 1 1 A 16 16 CYS C C 16 176.113 175.194 0.919 1
1 107 . 6 1 1 A 17 17 GLY N N 17 113.282 109.052 4.230 1
1 108 . 6 1 1 A 17 17 GLY H H 17 8.210 7.998 0.212 1
1 109 . 6 1 1 A 17 17 GLY CA C 17 46.158 44.790 1.368 1
1 110 . 6 1 1 A 17 17 GLY HA2 H 17 4.229 4.078 0.151 1
1 111 . 6 1 1 A 17 17 GLY HA3 H 17 3.869 4.091 -0.222 1
1 112 . 6 1 1 A 17 17 GLY C C 17 174.168 172.214 1.954 1
1 113 . 6 1 1 A 18 18 LYS N N 18 123.728 124.283 -0.555 1
1 114 . 6 1 1 A 18 18 LYS H H 18 8.024 8.427 -0.403 1
1 115 . 6 1 1 A 18 18 LYS CA C 18 58.388 55.487 2.901 1
1 116 . 6 1 1 A 18 18 LYS HA H 18 3.899 4.639 -0.740 1
1 117 . 6 1 1 A 18 18 LYS CB C 18 33.570 35.935 -2.365 1
1 129 . 6 1 1 A 18 18 LYS C C 18 173.522 174.036 -0.514 1
1 130 . 6 1 1 A 19 19 ALA N N 19 124.052 123.533 0.519 1
1 131 . 6 1 1 A 19 19 ALA H H 19 7.694 8.470 -0.776 1
1 132 . 6 1 1 A 19 19 ALA CA C 19 50.399 49.877 0.522 1
1 133 . 6 1 1 A 19 19 ALA HA H 19 5.061 5.461 -0.400 1
1 134 . 6 1 1 A 19 19 ALA CB C 19 22.152 23.313 -1.161 1
1 138 . 6 1 1 A 19 19 ALA C C 19 176.089 175.122 0.967 1
1 139 . 6 1 1 A 20 20 PHE N N 20 116.696 116.340 0.356 1
1 140 . 6 1 1 A 20 20 PHE H H 20 8.620 9.135 -0.515 1
1 141 . 6 1 1 A 20 20 PHE CA C 20 57.273 56.681 0.592 1
1 142 . 6 1 1 A 20 20 PHE HA H 20 4.731 4.901 -0.170 1
1 143 . 6 1 1 A 20 20 PHE CB C 20 43.640 43.259 0.381 1
1 156 . 6 1 1 A 20 20 PHE C C 20 174.983 175.619 -0.636 1
1 157 . 6 1 1 A 21 21 THR N N 21 118.634 116.462 2.172 1
1 158 . 6 1 1 A 21 21 THR H H 21 8.744 8.923 -0.179 1
1 159 . 6 1 1 A 21 21 THR CA C 21 66.285 64.454 1.831 1
1 160 . 6 1 1 A 21 21 THR HA H 21 4.059 4.524 -0.465 1
1 161 . 6 1 1 A 21 21 THR CB C 21 69.676 69.521 0.155 1
1 167 . 6 1 1 A 21 21 THR C C 21 173.364 175.360 -1.996 1
1 168 . 6 1 1 A 22 22 PHE N N 22 114.894 117.857 -2.963 1
1 169 . 6 1 1 A 22 22 PHE H H 22 7.843 8.287 -0.444 1
1 170 . 6 1 1 A 22 22 PHE CA C 22 55.721 56.806 -1.085 1
1 171 . 6 1 1 A 22 22 PHE HA H 22 5.181 4.819 0.362 1
1 172 . 6 1 1 A 22 22 PHE CB C 22 42.090 41.514 0.576 1
1 185 . 6 1 1 A 22 22 PHE C C 22 176.381 175.504 0.877 1
1 186 . 6 1 1 A 23 23 LYS N N 23 127.457 124.020 3.437 1
1 187 . 6 1 1 A 23 23 LYS H H 23 8.657 8.110 0.547 1
1 188 . 6 1 1 A 23 23 LYS CA C 23 59.680 59.618 0.062 1
1 189 . 6 1 1 A 23 23 LYS HA H 23 3.019 3.149 -0.130 1
1 190 . 6 1 1 A 23 23 LYS CB C 23 31.653 32.116 -0.463 1
1 202 . 6 1 1 A 23 23 LYS C C 23 178.376 178.061 0.315 1
1 203 . 6 1 1 A 24 24 SER N N 24 112.175 113.370 -1.195 1
1 204 . 6 1 1 A 24 24 SER H H 24 8.574 8.101 0.473 1
1 205 . 6 1 1 A 24 24 SER CA C 24 60.972 61.606 -0.634 1
1 206 . 6 1 1 A 24 24 SER HA H 24 3.910 4.047 -0.137 1
1 207 . 6 1 1 A 24 24 SER CB C 24 61.493 63.111 -1.618 1
1 210 . 6 1 1 A 24 24 SER C C 24 176.806 177.149 -0.343 1
1 211 . 6 1 1 A 25 25 GLN N N 25 119.551 120.760 -1.209 1
1 212 . 6 1 1 A 25 25 GLN H H 25 6.928 8.345 -1.417 1
1 213 . 6 1 1 A 25 25 GLN CA C 25 57.625 59.125 -1.500 1
1 214 . 6 1 1 A 25 25 GLN HA H 25 3.953 3.906 0.047 1
1 215 . 6 1 1 A 25 25 GLN CB C 25 28.886 28.284 0.602 1
1 224 . 6 1 1 A 25 25 GLN C C 25 178.754 178.062 0.692 1
1 225 . 6 1 1 A 26 26 LEU N N 26 122.090 120.108 1.982 1
1 226 . 6 1 1 A 26 26 LEU H H 26 6.947 7.943 -0.996 1
1 227 . 6 1 1 A 26 26 LEU CA C 26 57.533 57.129 0.404 1
1 228 . 6 1 1 A 26 26 LEU HA H 26 3.309 2.795 0.514 1
1 229 . 6 1 1 A 26 26 LEU CB C 26 40.550 41.573 -1.023 1
1 242 . 6 1 1 A 26 26 LEU C C 26 177.318 178.500 -1.182 1
1 243 . 6 1 1 A 27 27 ILE N N 27 118.535 119.304 -0.769 1
1 244 . 6 1 1 A 27 27 ILE H H 27 7.955 8.094 -0.139 1
1 245 . 6 1 1 A 27 27 ILE CA C 27 64.986 65.273 -0.287 1
1 246 . 6 1 1 A 27 27 ILE HA H 27 3.526 3.573 -0.047 1
1 247 . 6 1 1 A 27 27 ILE CB C 27 37.335 37.540 -0.205 1
1 260 . 6 1 1 A 27 27 ILE C C 27 179.131 178.332 0.799 1
1 261 . 6 1 1 A 28 28 VAL N N 28 118.816 120.759 -1.943 1
1 262 . 6 1 1 A 28 28 VAL H H 28 7.337 7.891 -0.554 1
1 263 . 6 1 1 A 28 28 VAL CA C 28 66.188 66.092 0.096 1
1 264 . 6 1 1 A 28 28 VAL HA H 28 3.647 3.470 0.177 1
1 265 . 6 1 1 A 28 28 VAL CB C 28 32.100 31.820 0.280 1
1 275 . 6 1 1 A 28 28 VAL C C 28 179.034 178.025 1.009 1
1 276 . 6 1 1 A 29 29 HIS N N 29 120.386 119.046 1.340 1
1 277 . 6 1 1 A 29 29 HIS H H 29 7.693 7.907 -0.214 1
1 278 . 6 1 1 A 29 29 HIS CA C 29 59.203 59.585 -0.382 1
1 279 . 6 1 1 A 29 29 HIS HA H 29 4.191 4.060 0.131 1
1 280 . 6 1 1 A 29 29 HIS CB C 29 28.639 29.861 -1.222 1
1 287 . 6 1 1 A 29 29 HIS C C 29 175.639 177.049 -1.410 1
1 288 . 6 1 1 A 30 30 LYS N N 30 116.039 118.327 -2.288 1
1 289 . 6 1 1 A 30 30 LYS H H 30 8.110 8.214 -0.104 1
1 290 . 6 1 1 A 30 30 LYS CA C 30 59.972 59.131 0.841 1
1 291 . 6 1 1 A 30 30 LYS HA H 30 3.744 4.051 -0.307 1
1 292 . 6 1 1 A 30 30 LYS CB C 30 31.811 32.202 -0.391 1
1 304 . 6 1 1 A 30 30 LYS C C 30 178.535 179.918 -1.383 1
1 305 . 6 1 1 A 31 31 GLY N N 31 105.302 108.052 -2.750 1
1 306 . 6 1 1 A 31 31 GLY H H 31 7.535 8.048 -0.513 1
1 307 . 6 1 1 A 31 31 GLY CA C 31 46.631 47.094 -0.463 1
1 308 . 6 1 1 A 31 31 GLY HA2 H 31 3.896 3.684 0.212 1
1 309 . 6 1 1 A 31 31 GLY HA3 H 31 4.014 3.705 0.309 1
1 310 . 6 1 1 A 31 31 GLY C C 31 175.882 176.285 -0.403 1
1 311 . 6 1 1 A 32 32 VAL N N 32 117.819 119.944 -2.125 1
1 312 . 6 1 1 A 32 32 VAL H H 32 8.006 7.852 0.154 1
1 313 . 6 1 1 A 32 32 VAL CA C 32 63.726 65.784 -2.058 1
1 314 . 6 1 1 A 32 32 VAL HA H 32 3.991 3.712 0.279 1
1 315 . 6 1 1 A 32 32 VAL CB C 32 31.119 31.070 0.049 1
1 325 . 6 1 1 A 32 32 VAL C C 32 177.331 177.859 -0.528 1
1 326 . 6 1 1 A 33 33 HIS N N 33 117.685 120.085 -2.400 1
1 327 . 6 1 1 A 33 33 HIS H H 33 7.293 7.183 0.110 1
1 328 . 6 1 1 A 33 33 HIS CA C 33 55.035 58.685 -3.650 1
1 329 . 6 1 1 A 33 33 HIS HA H 33 4.877 4.407 0.470 1
1 330 . 6 1 1 A 33 33 HIS CB C 33 28.797 30.914 -2.117 1
1 337 . 6 1 1 A 33 33 HIS C C 33 175.408 176.699 -1.291 1
1 338 . 6 1 1 A 34 34 THR N N 34 112.317 111.318 0.999 1
1 339 . 6 1 1 A 34 34 THR H H 34 7.791 7.907 -0.116 1
1 340 . 6 1 1 A 34 34 THR CA C 34 62.359 61.126 1.233 1
1 341 . 6 1 1 A 34 34 THR HA H 34 4.379 4.284 0.095 1
1 342 . 6 1 1 A 34 34 THR CB C 34 69.838 67.421 2.417 1
1 348 . 6 1 1 A 34 34 THR C C 34 175.262 174.538 0.724 1
1 349 . 6 1 1 A 35 35 GLY N N 35 111.103 111.284 -0.181 1
1 350 . 6 1 1 A 35 35 GLY H H 35 8.318 8.076 0.242 1
1 351 . 6 1 1 A 35 35 GLY CA C 35 45.398 46.006 -0.608 1
1 352 . 6 1 1 A 35 35 GLY HA2 H 35 3.994 4.018 -0.024 1
1 353 . 6 1 1 A 35 35 GLY HA3 H 35 3.994 4.032 -0.038 1
1 354 . 6 1 1 A 35 35 GLY C C 35 173.875 172.577 1.298 1
1 355 . 6 1 1 A 36 36 VAL N N 36 119.868 117.182 2.686 1
1 356 . 6 1 1 A 36 36 VAL H H 36 7.956 7.955 0.001 1
1 357 . 6 1 1 A 36 36 VAL CA C 36 62.215 60.848 1.367 1
1 358 . 6 1 1 A 36 36 VAL HA H 36 4.087 4.903 -0.816 1
1 359 . 6 1 1 A 36 36 VAL CB C 36 32.793 34.955 -2.162 1
1 369 . 6 1 1 A 36 36 VAL C C 36 176.041 174.501 1.540 1
1 370 . 6 1 1 A 37 37 LYS N N 37 127.378 125.860 1.518 1
1 371 . 6 1 1 A 37 37 LYS H H 37 8.475 8.671 -0.196 1
1 372 . 6 1 1 A 37 37 LYS CA C 37 54.080 52.894 1.186 1
1 373 . 6 1 1 A 37 37 LYS HA H 37 4.624 4.837 -0.213 1
1 374 . 6 1 1 A 37 37 LYS CB C 37 32.545 34.462 -1.917 1
1 385 . 6 1 1 A 37 37 LYS C C 37 174.473 173.951 0.522 1
1 386 . 6 1 1 A 38 38 PRO CA C 38 63.166 62.415 0.751 1
1 387 . 6 1 1 A 38 38 PRO HA H 38 4.465 4.655 -0.190 1
1 388 . 6 1 1 A 38 38 PRO CB C 38 32.220 33.187 -0.967 1
1 397 . 6 1 1 A 41 41 PRO CA C 41 63.295 63.447 -0.152 1
1 398 . 6 1 1 A 41 41 PRO HA H 41 4.485 4.571 -0.086 1
1 399 . 6 1 1 A 41 41 PRO CB C 41 32.225 32.007 0.218 1
1 408 . 6 1 1 A 43 43 SER CA C 43 58.583 59.068 -0.485 1
1 409 . 6 1 1 A 43 43 SER HA H 43 4.460 4.200 0.260 1
1 410 . 6 1 1 A 43 43 SER CB C 43 63.880 61.072 2.808 1
1 413 . 6 1 1 A 43 43 SER C C 43 173.861 173.950 -0.089 1
1 1 . 7 1 1 A 7 7 GLY N N 7 110.455 111.877 -1.422 1
1 2 . 7 1 1 A 7 7 GLY H H 7 8.367 8.337 0.030 1
1 3 . 7 1 1 A 7 7 GLY CA C 7 45.260 45.459 -0.199 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 3.916 4.109 -0.193 1
1 5 . 7 1 1 A 7 7 GLY HA3 H 7 3.916 4.111 -0.195 1
1 6 . 7 1 1 A 7 7 GLY C C 7 174.007 172.746 1.261 1
1 7 . 7 1 1 A 8 8 GLU N N 8 120.208 124.787 -4.579 1
1 8 . 7 1 1 A 8 8 GLU H H 8 8.176 8.478 -0.302 1
1 9 . 7 1 1 A 8 8 GLU CA C 8 56.854 57.576 -0.722 1
1 10 . 7 1 1 A 8 8 GLU HA H 8 4.160 4.247 -0.087 1
1 11 . 7 1 1 A 8 8 GLU CB C 8 30.376 30.515 -0.139 1
1 17 . 7 1 1 A 8 8 GLU C C 8 176.369 175.673 0.696 1
1 18 . 7 1 1 A 9 9 LYS N N 9 121.925 124.560 -2.635 1
1 19 . 7 1 1 A 9 9 LYS H H 9 8.248 8.121 0.127 1
1 20 . 7 1 1 A 9 9 LYS CA C 9 53.835 52.522 1.313 1
1 21 . 7 1 1 A 9 9 LYS HA H 9 4.472 4.913 -0.441 1
1 22 . 7 1 1 A 9 9 LYS CB C 9 33.228 34.112 -0.884 1
1 34 . 7 1 1 A 9 9 LYS C C 9 174.035 175.438 -1.403 1
1 35 . 7 1 1 A 10 10 PRO CA C 10 63.591 63.776 -0.185 1
1 36 . 7 1 1 A 10 10 PRO HA H 10 4.246 4.332 -0.086 1
1 37 . 7 1 1 A 10 10 PRO CB C 10 32.267 31.199 1.068 1
1 46 . 7 1 1 A 10 10 PRO C C 10 176.492 175.606 0.886 1
1 47 . 7 1 1 A 11 11 TYR N N 11 117.866 119.527 -1.661 1
1 48 . 7 1 1 A 11 11 TYR H H 11 7.767 7.055 0.712 1
1 49 . 7 1 1 A 11 11 TYR CA C 11 57.355 56.678 0.677 1
1 50 . 7 1 1 A 11 11 TYR HA H 11 4.731 5.351 -0.620 1
1 51 . 7 1 1 A 11 11 TYR CB C 11 38.877 40.653 -1.776 1
1 62 . 7 1 1 A 11 11 TYR C C 11 174.849 174.809 0.040 1
1 63 . 7 1 1 A 12 12 SER N N 12 117.933 120.956 -3.023 1
1 64 . 7 1 1 A 12 12 SER H H 12 8.645 8.970 -0.325 1
1 65 . 7 1 1 A 12 12 SER CA C 12 57.174 57.642 -0.468 1
1 66 . 7 1 1 A 12 12 SER HA H 12 5.270 5.431 -0.161 1
1 67 . 7 1 1 A 12 12 SER CB C 12 65.458 66.413 -0.955 1
1 70 . 7 1 1 A 12 12 SER C C 12 173.243 172.749 0.494 1
1 71 . 7 1 1 A 13 13 CYS N N 13 125.607 124.780 0.827 1
1 72 . 7 1 1 A 13 13 CYS H H 13 9.185 9.268 -0.083 1
1 73 . 7 1 1 A 13 13 CYS CA C 13 59.445 59.292 0.153 1
1 74 . 7 1 1 A 13 13 CYS HA H 13 4.513 4.673 -0.160 1
1 75 . 7 1 1 A 13 13 CYS CB C 13 30.133 28.681 1.452 1
1 78 . 7 1 1 A 13 13 CYS C C 13 176.806 174.347 2.459 1
1 79 . 7 1 1 A 14 14 ASN CA C 14 55.571 54.364 1.207 1
1 80 . 7 1 1 A 14 14 ASN HA H 14 4.532 4.900 -0.368 1
1 81 . 7 1 1 A 14 14 ASN CB C 14 37.747 41.275 -3.528 1
1 87 . 7 1 1 A 14 14 ASN C C 14 175.128 177.213 -2.085 1
1 88 . 7 1 1 A 15 15 GLU N N 15 121.346 118.553 2.793 1
1 89 . 7 1 1 A 15 15 GLU H H 15 8.862 8.242 0.620 1
1 90 . 7 1 1 A 15 15 GLU CA C 15 58.395 59.229 -0.834 1
1 91 . 7 1 1 A 15 15 GLU HA H 15 4.262 3.999 0.263 1
1 92 . 7 1 1 A 15 15 GLU CB C 15 29.692 29.215 0.477 1
1 98 . 7 1 1 A 15 15 GLU C C 15 177.050 178.099 -1.049 1
1 99 . 7 1 1 A 16 16 CYS N N 16 115.108 114.651 0.457 1
1 100 . 7 1 1 A 16 16 CYS H H 16 7.955 7.084 0.871 1
1 101 . 7 1 1 A 16 16 CYS CA C 16 58.406 59.503 -1.097 1
1 102 . 7 1 1 A 16 16 CYS HA H 16 5.166 4.462 0.704 1
1 103 . 7 1 1 A 16 16 CYS CB C 16 32.552 29.467 3.085 1
1 106 . 7 1 1 A 16 16 CYS C C 16 176.113 175.160 0.953 1
1 107 . 7 1 1 A 17 17 GLY N N 17 113.282 109.247 4.035 1
1 108 . 7 1 1 A 17 17 GLY H H 17 8.210 7.496 0.714 1
1 109 . 7 1 1 A 17 17 GLY CA C 17 46.158 44.778 1.380 1
1 110 . 7 1 1 A 17 17 GLY HA2 H 17 4.229 4.059 0.170 1
1 111 . 7 1 1 A 17 17 GLY HA3 H 17 3.869 4.073 -0.204 1
1 112 . 7 1 1 A 17 17 GLY C C 17 174.168 172.199 1.969 1
1 113 . 7 1 1 A 18 18 LYS N N 18 123.728 124.073 -0.345 1
1 114 . 7 1 1 A 18 18 LYS H H 18 8.024 8.455 -0.431 1
1 115 . 7 1 1 A 18 18 LYS CA C 18 58.388 55.349 3.039 1
1 116 . 7 1 1 A 18 18 LYS HA H 18 3.899 4.601 -0.702 1
1 117 . 7 1 1 A 18 18 LYS CB C 18 33.570 35.895 -2.325 1
1 129 . 7 1 1 A 18 18 LYS C C 18 173.522 174.081 -0.559 1
1 130 . 7 1 1 A 19 19 ALA N N 19 124.052 123.520 0.532 1
1 131 . 7 1 1 A 19 19 ALA H H 19 7.694 8.398 -0.704 1
1 132 . 7 1 1 A 19 19 ALA CA C 19 50.399 49.960 0.439 1
1 133 . 7 1 1 A 19 19 ALA HA H 19 5.061 5.433 -0.372 1
1 134 . 7 1 1 A 19 19 ALA CB C 19 22.152 23.371 -1.219 1
1 138 . 7 1 1 A 19 19 ALA C C 19 176.089 175.079 1.010 1
1 139 . 7 1 1 A 20 20 PHE N N 20 116.696 116.058 0.638 1
1 140 . 7 1 1 A 20 20 PHE H H 20 8.620 9.081 -0.461 1
1 141 . 7 1 1 A 20 20 PHE CA C 20 57.273 56.515 0.758 1
1 142 . 7 1 1 A 20 20 PHE HA H 20 4.731 4.859 -0.128 1
1 143 . 7 1 1 A 20 20 PHE CB C 20 43.640 43.356 0.284 1
1 156 . 7 1 1 A 20 20 PHE C C 20 174.983 175.648 -0.665 1
1 157 . 7 1 1 A 21 21 THR N N 21 118.634 116.002 2.632 1
1 158 . 7 1 1 A 21 21 THR H H 21 8.744 8.894 -0.150 1
1 159 . 7 1 1 A 21 21 THR CA C 21 66.285 63.831 2.454 1
1 160 . 7 1 1 A 21 21 THR HA H 21 4.059 4.455 -0.396 1
1 161 . 7 1 1 A 21 21 THR CB C 21 69.676 69.534 0.142 1
1 167 . 7 1 1 A 21 21 THR C C 21 173.364 174.921 -1.557 1
1 168 . 7 1 1 A 22 22 PHE N N 22 114.894 117.795 -2.901 1
1 169 . 7 1 1 A 22 22 PHE H H 22 7.843 8.241 -0.398 1
1 170 . 7 1 1 A 22 22 PHE CA C 22 55.721 55.968 -0.247 1
1 171 . 7 1 1 A 22 22 PHE HA H 22 5.181 4.853 0.328 1
1 172 . 7 1 1 A 22 22 PHE CB C 22 42.090 42.064 0.026 1
1 185 . 7 1 1 A 22 22 PHE C C 22 176.381 175.348 1.033 1
1 186 . 7 1 1 A 23 23 LYS N N 23 127.457 123.715 3.742 1
1 187 . 7 1 1 A 23 23 LYS H H 23 8.657 8.178 0.479 1
1 188 . 7 1 1 A 23 23 LYS CA C 23 59.680 59.659 0.021 1
1 189 . 7 1 1 A 23 23 LYS HA H 23 3.019 3.269 -0.250 1
1 190 . 7 1 1 A 23 23 LYS CB C 23 31.653 32.210 -0.557 1
1 202 . 7 1 1 A 23 23 LYS C C 23 178.376 177.980 0.396 1
1 203 . 7 1 1 A 24 24 SER N N 24 112.175 114.712 -2.537 1
1 204 . 7 1 1 A 24 24 SER H H 24 8.574 8.263 0.311 1
1 205 . 7 1 1 A 24 24 SER CA C 24 60.972 61.997 -1.025 1
1 206 . 7 1 1 A 24 24 SER HA H 24 3.910 4.063 -0.153 1
1 207 . 7 1 1 A 24 24 SER CB C 24 61.493 62.565 -1.072 1
1 210 . 7 1 1 A 24 24 SER C C 24 176.806 176.784 0.022 1
1 211 . 7 1 1 A 25 25 GLN N N 25 119.551 120.493 -0.942 1
1 212 . 7 1 1 A 25 25 GLN H H 25 6.928 8.294 -1.366 1
1 213 . 7 1 1 A 25 25 GLN CA C 25 57.625 58.992 -1.367 1
1 214 . 7 1 1 A 25 25 GLN HA H 25 3.953 3.875 0.078 1
1 215 . 7 1 1 A 25 25 GLN CB C 25 28.886 28.317 0.569 1
1 224 . 7 1 1 A 25 25 GLN C C 25 178.754 177.965 0.789 1
1 225 . 7 1 1 A 26 26 LEU N N 26 122.090 119.981 2.109 1
1 226 . 7 1 1 A 26 26 LEU H H 26 6.947 7.915 -0.968 1
1 227 . 7 1 1 A 26 26 LEU CA C 26 57.533 57.237 0.296 1
1 228 . 7 1 1 A 26 26 LEU HA H 26 3.309 2.596 0.713 1
1 229 . 7 1 1 A 26 26 LEU CB C 26 40.550 41.477 -0.927 1
1 242 . 7 1 1 A 26 26 LEU C C 26 177.318 178.320 -1.002 1
1 243 . 7 1 1 A 27 27 ILE N N 27 118.535 119.699 -1.164 1
1 244 . 7 1 1 A 27 27 ILE H H 27 7.955 8.171 -0.216 1
1 245 . 7 1 1 A 27 27 ILE CA C 27 64.986 65.267 -0.281 1
1 246 . 7 1 1 A 27 27 ILE HA H 27 3.526 3.552 -0.026 1
1 247 . 7 1 1 A 27 27 ILE CB C 27 37.335 37.728 -0.393 1
1 260 . 7 1 1 A 27 27 ILE C C 27 179.131 178.319 0.812 1
1 261 . 7 1 1 A 28 28 VAL N N 28 118.816 120.067 -1.251 1
1 262 . 7 1 1 A 28 28 VAL H H 28 7.337 7.851 -0.514 1
1 263 . 7 1 1 A 28 28 VAL CA C 28 66.188 66.343 -0.155 1
1 264 . 7 1 1 A 28 28 VAL HA H 28 3.647 3.464 0.183 1
1 265 . 7 1 1 A 28 28 VAL CB C 28 32.100 31.544 0.556 1
1 275 . 7 1 1 A 28 28 VAL C C 28 179.034 177.946 1.088 1
1 276 . 7 1 1 A 29 29 HIS N N 29 120.386 119.011 1.375 1
1 277 . 7 1 1 A 29 29 HIS H H 29 7.693 7.830 -0.137 1
1 278 . 7 1 1 A 29 29 HIS CA C 29 59.203 59.316 -0.113 1
1 279 . 7 1 1 A 29 29 HIS HA H 29 4.191 4.147 0.044 1
1 280 . 7 1 1 A 29 29 HIS CB C 29 28.639 29.883 -1.244 1
1 287 . 7 1 1 A 29 29 HIS C C 29 175.639 176.979 -1.340 1
1 288 . 7 1 1 A 30 30 LYS N N 30 116.039 118.331 -2.292 1
1 289 . 7 1 1 A 30 30 LYS H H 30 8.110 8.322 -0.212 1
1 290 . 7 1 1 A 30 30 LYS CA C 30 59.972 59.141 0.831 1
1 291 . 7 1 1 A 30 30 LYS HA H 30 3.744 4.059 -0.315 1
1 292 . 7 1 1 A 30 30 LYS CB C 30 31.811 32.142 -0.331 1
1 304 . 7 1 1 A 30 30 LYS C C 30 178.535 179.765 -1.230 1
1 305 . 7 1 1 A 31 31 GLY N N 31 105.302 108.216 -2.914 1
1 306 . 7 1 1 A 31 31 GLY H H 31 7.535 8.237 -0.702 1
1 307 . 7 1 1 A 31 31 GLY CA C 31 46.631 47.225 -0.594 1
1 308 . 7 1 1 A 31 31 GLY HA2 H 31 3.896 3.695 0.201 1
1 309 . 7 1 1 A 31 31 GLY HA3 H 31 4.014 3.716 0.298 1
1 310 . 7 1 1 A 31 31 GLY C C 31 175.882 176.167 -0.285 1
1 311 . 7 1 1 A 32 32 VAL N N 32 117.819 120.212 -2.393 1
1 312 . 7 1 1 A 32 32 VAL H H 32 8.006 7.829 0.177 1
1 313 . 7 1 1 A 32 32 VAL CA C 32 63.726 65.545 -1.819 1
1 314 . 7 1 1 A 32 32 VAL HA H 32 3.991 3.680 0.311 1
1 315 . 7 1 1 A 32 32 VAL CB C 32 31.119 31.128 -0.009 1
1 325 . 7 1 1 A 32 32 VAL C C 32 177.331 177.530 -0.199 1
1 326 . 7 1 1 A 33 33 HIS N N 33 117.685 120.023 -2.338 1
1 327 . 7 1 1 A 33 33 HIS H H 33 7.293 7.312 -0.019 1
1 328 . 7 1 1 A 33 33 HIS CA C 33 55.035 58.217 -3.182 1
1 329 . 7 1 1 A 33 33 HIS HA H 33 4.877 4.463 0.414 1
1 330 . 7 1 1 A 33 33 HIS CB C 33 28.797 31.049 -2.252 1
1 337 . 7 1 1 A 33 33 HIS C C 33 175.408 175.965 -0.557 1
1 338 . 7 1 1 A 34 34 THR N N 34 112.317 106.746 5.571 1
1 339 . 7 1 1 A 34 34 THR H H 34 7.791 7.566 0.225 1
1 340 . 7 1 1 A 34 34 THR CA C 34 62.359 61.178 1.181 1
1 341 . 7 1 1 A 34 34 THR HA H 34 4.379 4.379 0.000 1
1 342 . 7 1 1 A 34 34 THR CB C 34 69.838 68.818 1.020 1
1 348 . 7 1 1 A 34 34 THR C C 34 175.262 174.273 0.989 1
1 349 . 7 1 1 A 35 35 GLY N N 35 111.103 109.356 1.747 1
1 350 . 7 1 1 A 35 35 GLY H H 35 8.318 7.346 0.972 1
1 351 . 7 1 1 A 35 35 GLY CA C 35 45.398 45.135 0.263 1
1 352 . 7 1 1 A 35 35 GLY HA2 H 35 3.994 4.126 -0.132 1
1 353 . 7 1 1 A 35 35 GLY HA3 H 35 3.994 4.136 -0.142 1
1 354 . 7 1 1 A 35 35 GLY C C 35 173.875 173.578 0.297 1
1 355 . 7 1 1 A 36 36 VAL N N 36 119.868 119.988 -0.120 1
1 356 . 7 1 1 A 36 36 VAL H H 36 7.956 8.127 -0.171 1
1 357 . 7 1 1 A 36 36 VAL CA C 36 62.215 58.922 3.293 1
1 358 . 7 1 1 A 36 36 VAL HA H 36 4.087 5.112 -1.025 1
1 359 . 7 1 1 A 36 36 VAL CB C 36 32.793 35.588 -2.795 1
1 369 . 7 1 1 A 36 36 VAL C C 36 176.041 173.888 2.153 1
1 370 . 7 1 1 A 37 37 LYS N N 37 127.378 125.045 2.333 1
1 371 . 7 1 1 A 37 37 LYS H H 37 8.475 8.831 -0.356 1
1 372 . 7 1 1 A 37 37 LYS CA C 37 54.080 53.103 0.977 1
1 373 . 7 1 1 A 37 37 LYS HA H 37 4.624 5.003 -0.379 1
1 374 . 7 1 1 A 37 37 LYS CB C 37 32.545 35.415 -2.870 1
1 385 . 7 1 1 A 37 37 LYS C C 37 174.473 174.542 -0.069 1
1 386 . 7 1 1 A 38 38 PRO CA C 38 63.166 62.412 0.754 1
1 387 . 7 1 1 A 38 38 PRO HA H 38 4.465 4.566 -0.101 1
1 388 . 7 1 1 A 38 38 PRO CB C 38 32.220 32.522 -0.302 1
1 397 . 7 1 1 A 41 41 PRO CA C 41 63.295 64.049 -0.754 1
1 398 . 7 1 1 A 41 41 PRO HA H 41 4.485 4.502 -0.017 1
1 399 . 7 1 1 A 41 41 PRO CB C 41 32.225 32.038 0.187 1
1 408 . 7 1 1 A 43 43 SER CA C 43 58.583 56.848 1.735 1
1 409 . 7 1 1 A 43 43 SER HA H 43 4.460 4.733 -0.273 1
1 410 . 7 1 1 A 43 43 SER CB C 43 63.880 63.086 0.794 1
1 413 . 7 1 1 A 43 43 SER C C 43 173.861 172.748 1.113 1
1 1 . 8 1 1 A 7 7 GLY N N 7 110.455 108.738 1.717 1
1 2 . 8 1 1 A 7 7 GLY H H 7 8.367 8.664 -0.297 1
1 3 . 8 1 1 A 7 7 GLY CA C 7 45.260 44.463 0.797 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 3.916 4.024 -0.108 1
1 5 . 8 1 1 A 7 7 GLY HA3 H 7 3.916 4.025 -0.109 1
1 6 . 8 1 1 A 7 7 GLY C C 7 174.007 173.035 0.972 1
1 7 . 8 1 1 A 8 8 GLU N N 8 120.208 119.710 0.498 1
1 8 . 8 1 1 A 8 8 GLU H H 8 8.176 8.436 -0.260 1
1 9 . 8 1 1 A 8 8 GLU CA C 8 56.854 55.065 1.789 1
1 10 . 8 1 1 A 8 8 GLU HA H 8 4.160 4.799 -0.639 1
1 11 . 8 1 1 A 8 8 GLU CB C 8 30.376 32.342 -1.966 1
1 17 . 8 1 1 A 8 8 GLU C C 8 176.369 175.359 1.010 1
1 18 . 8 1 1 A 9 9 LYS N N 9 121.925 123.017 -1.092 1
1 19 . 8 1 1 A 9 9 LYS H H 9 8.248 8.669 -0.421 1
1 20 . 8 1 1 A 9 9 LYS CA C 9 53.835 52.592 1.243 1
1 21 . 8 1 1 A 9 9 LYS HA H 9 4.472 4.801 -0.329 1
1 22 . 8 1 1 A 9 9 LYS CB C 9 33.228 33.063 0.165 1
1 34 . 8 1 1 A 9 9 LYS C C 9 174.035 176.397 -2.362 1
1 35 . 8 1 1 A 10 10 PRO CA C 10 63.591 63.820 -0.229 1
1 36 . 8 1 1 A 10 10 PRO HA H 10 4.246 4.340 -0.094 1
1 37 . 8 1 1 A 10 10 PRO CB C 10 32.267 31.261 1.006 1
1 46 . 8 1 1 A 10 10 PRO C C 10 176.492 175.612 0.880 1
1 47 . 8 1 1 A 11 11 TYR N N 11 117.866 119.558 -1.692 1
1 48 . 8 1 1 A 11 11 TYR H H 11 7.767 7.116 0.651 1
1 49 . 8 1 1 A 11 11 TYR CA C 11 57.355 56.853 0.502 1
1 50 . 8 1 1 A 11 11 TYR HA H 11 4.731 5.383 -0.652 1
1 51 . 8 1 1 A 11 11 TYR CB C 11 38.877 40.526 -1.649 1
1 62 . 8 1 1 A 11 11 TYR C C 11 174.849 175.046 -0.197 1
1 63 . 8 1 1 A 12 12 SER N N 12 117.933 118.010 -0.077 1
1 64 . 8 1 1 A 12 12 SER H H 12 8.645 9.158 -0.513 1
1 65 . 8 1 1 A 12 12 SER CA C 12 57.174 56.460 0.714 1
1 66 . 8 1 1 A 12 12 SER HA H 12 5.270 5.566 -0.296 1
1 67 . 8 1 1 A 12 12 SER CB C 12 65.458 65.957 -0.499 1
1 70 . 8 1 1 A 12 12 SER C C 12 173.243 172.933 0.310 1
1 71 . 8 1 1 A 13 13 CYS N N 13 125.607 121.841 3.766 1
1 72 . 8 1 1 A 13 13 CYS H H 13 9.185 9.268 -0.083 1
1 73 . 8 1 1 A 13 13 CYS CA C 13 59.445 58.426 1.019 1
1 74 . 8 1 1 A 13 13 CYS HA H 13 4.513 4.860 -0.347 1
1 75 . 8 1 1 A 13 13 CYS CB C 13 30.133 29.281 0.852 1
1 78 . 8 1 1 A 13 13 CYS C C 13 176.806 174.645 2.161 1
1 79 . 8 1 1 A 14 14 ASN CA C 14 55.571 54.170 1.401 1
1 80 . 8 1 1 A 14 14 ASN HA H 14 4.532 5.008 -0.476 1
1 81 . 8 1 1 A 14 14 ASN CB C 14 37.747 40.388 -2.641 1
1 87 . 8 1 1 A 14 14 ASN C C 14 175.128 176.809 -1.681 1
1 88 . 8 1 1 A 15 15 GLU N N 15 121.346 120.205 1.141 1
1 89 . 8 1 1 A 15 15 GLU H H 15 8.862 8.155 0.707 1
1 90 . 8 1 1 A 15 15 GLU CA C 15 58.395 59.003 -0.608 1
1 91 . 8 1 1 A 15 15 GLU HA H 15 4.262 3.920 0.342 1
1 92 . 8 1 1 A 15 15 GLU CB C 15 29.692 28.808 0.884 1
1 98 . 8 1 1 A 15 15 GLU C C 15 177.050 178.328 -1.278 1
1 99 . 8 1 1 A 16 16 CYS N N 16 115.108 114.440 0.668 1
1 100 . 8 1 1 A 16 16 CYS H H 16 7.955 6.988 0.967 1
1 101 . 8 1 1 A 16 16 CYS CA C 16 58.406 58.994 -0.588 1
1 102 . 8 1 1 A 16 16 CYS HA H 16 5.166 4.484 0.682 1
1 103 . 8 1 1 A 16 16 CYS CB C 16 32.552 29.301 3.251 1
1 106 . 8 1 1 A 16 16 CYS C C 16 176.113 175.529 0.584 1
1 107 . 8 1 1 A 17 17 GLY N N 17 113.282 109.979 3.303 1
1 108 . 8 1 1 A 17 17 GLY H H 17 8.210 7.517 0.693 1
1 109 . 8 1 1 A 17 17 GLY CA C 17 46.158 44.745 1.413 1
1 110 . 8 1 1 A 17 17 GLY HA2 H 17 4.229 4.072 0.157 1
1 111 . 8 1 1 A 17 17 GLY HA3 H 17 3.869 4.093 -0.224 1
1 112 . 8 1 1 A 17 17 GLY C C 17 174.168 172.413 1.755 1
1 113 . 8 1 1 A 18 18 LYS N N 18 123.728 123.428 0.300 1
1 114 . 8 1 1 A 18 18 LYS H H 18 8.024 8.359 -0.335 1
1 115 . 8 1 1 A 18 18 LYS CA C 18 58.388 55.265 3.123 1
1 116 . 8 1 1 A 18 18 LYS HA H 18 3.899 4.625 -0.726 1
1 117 . 8 1 1 A 18 18 LYS CB C 18 33.570 35.685 -2.115 1
1 129 . 8 1 1 A 18 18 LYS C C 18 173.522 174.263 -0.741 1
1 130 . 8 1 1 A 19 19 ALA N N 19 124.052 123.101 0.951 1
1 131 . 8 1 1 A 19 19 ALA H H 19 7.694 8.370 -0.676 1
1 132 . 8 1 1 A 19 19 ALA CA C 19 50.399 50.003 0.396 1
1 133 . 8 1 1 A 19 19 ALA HA H 19 5.061 5.446 -0.385 1
1 134 . 8 1 1 A 19 19 ALA CB C 19 22.152 23.413 -1.261 1
1 138 . 8 1 1 A 19 19 ALA C C 19 176.089 175.079 1.010 1
1 139 . 8 1 1 A 20 20 PHE N N 20 116.696 116.646 0.050 1
1 140 . 8 1 1 A 20 20 PHE H H 20 8.620 9.093 -0.473 1
1 141 . 8 1 1 A 20 20 PHE CA C 20 57.273 56.645 0.628 1
1 142 . 8 1 1 A 20 20 PHE HA H 20 4.731 4.845 -0.114 1
1 143 . 8 1 1 A 20 20 PHE CB C 20 43.640 43.015 0.625 1
1 156 . 8 1 1 A 20 20 PHE C C 20 174.983 175.609 -0.626 1
1 157 . 8 1 1 A 21 21 THR N N 21 118.634 115.915 2.719 1
1 158 . 8 1 1 A 21 21 THR H H 21 8.744 8.805 -0.061 1
1 159 . 8 1 1 A 21 21 THR CA C 21 66.285 64.098 2.187 1
1 160 . 8 1 1 A 21 21 THR HA H 21 4.059 4.400 -0.341 1
1 161 . 8 1 1 A 21 21 THR CB C 21 69.676 69.314 0.362 1
1 167 . 8 1 1 A 21 21 THR C C 21 173.364 174.973 -1.609 1
1 168 . 8 1 1 A 22 22 PHE N N 22 114.894 117.763 -2.869 1
1 169 . 8 1 1 A 22 22 PHE H H 22 7.843 7.607 0.236 1
1 170 . 8 1 1 A 22 22 PHE CA C 22 55.721 56.982 -1.261 1
1 171 . 8 1 1 A 22 22 PHE HA H 22 5.181 4.720 0.461 1
1 172 . 8 1 1 A 22 22 PHE CB C 22 42.090 41.331 0.759 1
1 185 . 8 1 1 A 22 22 PHE C C 22 176.381 175.519 0.862 1
1 186 . 8 1 1 A 23 23 LYS N N 23 127.457 123.595 3.862 1
1 187 . 8 1 1 A 23 23 LYS H H 23 8.657 8.400 0.257 1
1 188 . 8 1 1 A 23 23 LYS CA C 23 59.680 59.673 0.007 1
1 189 . 8 1 1 A 23 23 LYS HA H 23 3.019 3.260 -0.241 1
1 190 . 8 1 1 A 23 23 LYS CB C 23 31.653 32.243 -0.590 1
1 202 . 8 1 1 A 23 23 LYS C C 23 178.376 177.863 0.513 1
1 203 . 8 1 1 A 24 24 SER N N 24 112.175 114.615 -2.440 1
1 204 . 8 1 1 A 24 24 SER H H 24 8.574 8.332 0.242 1
1 205 . 8 1 1 A 24 24 SER CA C 24 60.972 61.478 -0.506 1
1 206 . 8 1 1 A 24 24 SER HA H 24 3.910 4.137 -0.227 1
1 207 . 8 1 1 A 24 24 SER CB C 24 61.493 62.556 -1.063 1
1 210 . 8 1 1 A 24 24 SER C C 24 176.806 177.207 -0.401 1
1 211 . 8 1 1 A 25 25 GLN N N 25 119.551 120.862 -1.311 1
1 212 . 8 1 1 A 25 25 GLN H H 25 6.928 8.218 -1.290 1
1 213 . 8 1 1 A 25 25 GLN CA C 25 57.625 58.644 -1.019 1
1 214 . 8 1 1 A 25 25 GLN HA H 25 3.953 3.913 0.040 1
1 215 . 8 1 1 A 25 25 GLN CB C 25 28.886 28.107 0.779 1
1 224 . 8 1 1 A 25 25 GLN C C 25 178.754 177.866 0.888 1
1 225 . 8 1 1 A 26 26 LEU N N 26 122.090 120.383 1.707 1
1 226 . 8 1 1 A 26 26 LEU H H 26 6.947 7.869 -0.922 1
1 227 . 8 1 1 A 26 26 LEU CA C 26 57.533 57.246 0.287 1
1 228 . 8 1 1 A 26 26 LEU HA H 26 3.309 3.102 0.207 1
1 229 . 8 1 1 A 26 26 LEU CB C 26 40.550 41.746 -1.196 1
1 242 . 8 1 1 A 26 26 LEU C C 26 177.318 178.626 -1.308 1
1 243 . 8 1 1 A 27 27 ILE N N 27 118.535 119.382 -0.847 1
1 244 . 8 1 1 A 27 27 ILE H H 27 7.955 7.903 0.052 1
1 245 . 8 1 1 A 27 27 ILE CA C 27 64.986 65.308 -0.322 1
1 246 . 8 1 1 A 27 27 ILE HA H 27 3.526 3.561 -0.035 1
1 247 . 8 1 1 A 27 27 ILE CB C 27 37.335 37.644 -0.309 1
1 260 . 8 1 1 A 27 27 ILE C C 27 179.131 178.189 0.942 1
1 261 . 8 1 1 A 28 28 VAL N N 28 118.816 120.010 -1.194 1
1 262 . 8 1 1 A 28 28 VAL H H 28 7.337 7.882 -0.545 1
1 263 . 8 1 1 A 28 28 VAL CA C 28 66.188 66.354 -0.166 1
1 264 . 8 1 1 A 28 28 VAL HA H 28 3.647 3.485 0.162 1
1 265 . 8 1 1 A 28 28 VAL CB C 28 32.100 31.586 0.514 1
1 275 . 8 1 1 A 28 28 VAL C C 28 179.034 177.954 1.080 1
1 276 . 8 1 1 A 29 29 HIS N N 29 120.386 119.163 1.223 1
1 277 . 8 1 1 A 29 29 HIS H H 29 7.693 7.744 -0.051 1
1 278 . 8 1 1 A 29 29 HIS CA C 29 59.203 59.237 -0.034 1
1 279 . 8 1 1 A 29 29 HIS HA H 29 4.191 4.101 0.090 1
1 280 . 8 1 1 A 29 29 HIS CB C 29 28.639 29.643 -1.004 1
1 287 . 8 1 1 A 29 29 HIS C C 29 175.639 177.060 -1.421 1
1 288 . 8 1 1 A 30 30 LYS N N 30 116.039 118.255 -2.216 1
1 289 . 8 1 1 A 30 30 LYS H H 30 8.110 8.248 -0.138 1
1 290 . 8 1 1 A 30 30 LYS CA C 30 59.972 59.099 0.873 1
1 291 . 8 1 1 A 30 30 LYS HA H 30 3.744 3.973 -0.229 1
1 292 . 8 1 1 A 30 30 LYS CB C 30 31.811 32.263 -0.452 1
1 304 . 8 1 1 A 30 30 LYS C C 30 178.535 179.902 -1.367 1
1 305 . 8 1 1 A 31 31 GLY N N 31 105.302 107.964 -2.662 1
1 306 . 8 1 1 A 31 31 GLY H H 31 7.535 7.808 -0.273 1
1 307 . 8 1 1 A 31 31 GLY CA C 31 46.631 47.138 -0.507 1
1 308 . 8 1 1 A 31 31 GLY HA2 H 31 3.896 3.656 0.240 1
1 309 . 8 1 1 A 31 31 GLY HA3 H 31 4.014 3.676 0.338 1
1 310 . 8 1 1 A 31 31 GLY C C 31 175.882 176.236 -0.354 1
1 311 . 8 1 1 A 32 32 VAL N N 32 117.819 119.389 -1.570 1
1 312 . 8 1 1 A 32 32 VAL H H 32 8.006 7.821 0.185 1
1 313 . 8 1 1 A 32 32 VAL CA C 32 63.726 65.441 -1.715 1
1 314 . 8 1 1 A 32 32 VAL HA H 32 3.991 3.758 0.233 1
1 315 . 8 1 1 A 32 32 VAL CB C 32 31.119 30.999 0.120 1
1 325 . 8 1 1 A 32 32 VAL C C 32 177.331 176.448 0.883 1
1 326 . 8 1 1 A 33 33 HIS N N 33 117.685 119.563 -1.878 1
1 327 . 8 1 1 A 33 33 HIS H H 33 7.293 7.225 0.068 1
1 328 . 8 1 1 A 33 33 HIS CA C 33 55.035 57.796 -2.761 1
1 329 . 8 1 1 A 33 33 HIS HA H 33 4.877 4.467 0.410 1
1 330 . 8 1 1 A 33 33 HIS CB C 33 28.797 30.587 -1.790 1
1 337 . 8 1 1 A 33 33 HIS C C 33 175.408 175.759 -0.351 1
1 338 . 8 1 1 A 34 34 THR N N 34 112.317 107.051 5.266 1
1 339 . 8 1 1 A 34 34 THR H H 34 7.791 7.594 0.197 1
1 340 . 8 1 1 A 34 34 THR CA C 34 62.359 61.091 1.268 1
1 341 . 8 1 1 A 34 34 THR HA H 34 4.379 4.380 -0.001 1
1 342 . 8 1 1 A 34 34 THR CB C 34 69.838 68.457 1.381 1
1 348 . 8 1 1 A 34 34 THR C C 34 175.262 173.867 1.395 1
1 349 . 8 1 1 A 35 35 GLY N N 35 111.103 110.251 0.852 1
1 350 . 8 1 1 A 35 35 GLY H H 35 8.318 7.763 0.555 1
1 351 . 8 1 1 A 35 35 GLY CA C 35 45.398 44.638 0.760 1
1 352 . 8 1 1 A 35 35 GLY HA2 H 35 3.994 4.281 -0.287 1
1 353 . 8 1 1 A 35 35 GLY HA3 H 35 3.994 4.288 -0.294 1
1 354 . 8 1 1 A 35 35 GLY C C 35 173.875 172.790 1.085 1
1 355 . 8 1 1 A 36 36 VAL N N 36 119.868 123.366 -3.498 1
1 356 . 8 1 1 A 36 36 VAL H H 36 7.956 8.521 -0.565 1
1 357 . 8 1 1 A 36 36 VAL CA C 36 62.215 62.341 -0.126 1
1 358 . 8 1 1 A 36 36 VAL HA H 36 4.087 4.117 -0.030 1
1 359 . 8 1 1 A 36 36 VAL CB C 36 32.793 32.481 0.312 1
1 369 . 8 1 1 A 36 36 VAL C C 36 176.041 174.526 1.515 1
1 370 . 8 1 1 A 37 37 LYS N N 37 127.378 128.609 -1.231 1
1 371 . 8 1 1 A 37 37 LYS H H 37 8.475 8.705 -0.230 1
1 372 . 8 1 1 A 37 37 LYS CA C 37 54.080 52.613 1.467 1
1 373 . 8 1 1 A 37 37 LYS HA H 37 4.624 4.884 -0.260 1
1 374 . 8 1 1 A 37 37 LYS CB C 37 32.545 36.572 -4.027 1
1 385 . 8 1 1 A 37 37 LYS C C 37 174.473 174.228 0.245 1
1 386 . 8 1 1 A 38 38 PRO CA C 38 63.166 62.347 0.819 1
1 387 . 8 1 1 A 38 38 PRO HA H 38 4.465 4.628 -0.163 1
1 388 . 8 1 1 A 38 38 PRO CB C 38 32.220 29.703 2.517 1
1 397 . 8 1 1 A 41 41 PRO CA C 41 63.295 62.545 0.750 1
1 398 . 8 1 1 A 41 41 PRO HA H 41 4.485 4.507 -0.022 1
1 399 . 8 1 1 A 41 41 PRO CB C 41 32.225 32.713 -0.488 1
1 408 . 8 1 1 A 43 43 SER CA C 43 58.583 59.514 -0.931 1
1 409 . 8 1 1 A 43 43 SER HA H 43 4.460 4.199 0.261 1
1 410 . 8 1 1 A 43 43 SER CB C 43 63.880 61.723 2.157 1
1 413 . 8 1 1 A 43 43 SER C C 43 173.861 174.386 -0.525 1
1 1 . 9 1 1 A 7 7 GLY N N 7 110.455 107.921 2.534 1
1 2 . 9 1 1 A 7 7 GLY H H 7 8.367 7.403 0.964 1
1 3 . 9 1 1 A 7 7 GLY CA C 7 45.260 45.776 -0.516 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 3.916 4.045 -0.129 1
1 5 . 9 1 1 A 7 7 GLY HA3 H 7 3.916 4.048 -0.132 1
1 6 . 9 1 1 A 7 7 GLY C C 7 174.007 171.321 2.686 1
1 7 . 9 1 1 A 8 8 GLU N N 8 120.208 120.015 0.193 1
1 8 . 9 1 1 A 8 8 GLU H H 8 8.176 8.564 -0.388 1
1 9 . 9 1 1 A 8 8 GLU CA C 8 56.854 54.948 1.906 1
1 10 . 9 1 1 A 8 8 GLU HA H 8 4.160 4.999 -0.839 1
1 11 . 9 1 1 A 8 8 GLU CB C 8 30.376 33.608 -3.232 1
1 17 . 9 1 1 A 8 8 GLU C C 8 176.369 175.367 1.002 1
1 18 . 9 1 1 A 9 9 LYS N N 9 121.925 123.447 -1.522 1
1 19 . 9 1 1 A 9 9 LYS H H 9 8.248 8.678 -0.430 1
1 20 . 9 1 1 A 9 9 LYS CA C 9 53.835 52.468 1.367 1
1 21 . 9 1 1 A 9 9 LYS HA H 9 4.472 4.955 -0.483 1
1 22 . 9 1 1 A 9 9 LYS CB C 9 33.228 33.885 -0.657 1
1 34 . 9 1 1 A 9 9 LYS C C 9 174.035 175.909 -1.874 1
1 35 . 9 1 1 A 10 10 PRO CA C 10 63.591 63.853 -0.262 1
1 36 . 9 1 1 A 10 10 PRO HA H 10 4.246 4.359 -0.113 1
1 37 . 9 1 1 A 10 10 PRO CB C 10 32.267 31.269 0.998 1
1 46 . 9 1 1 A 10 10 PRO C C 10 176.492 175.627 0.865 1
1 47 . 9 1 1 A 11 11 TYR N N 11 117.866 119.798 -1.932 1
1 48 . 9 1 1 A 11 11 TYR H H 11 7.767 7.121 0.646 1
1 49 . 9 1 1 A 11 11 TYR CA C 11 57.355 56.745 0.610 1
1 50 . 9 1 1 A 11 11 TYR HA H 11 4.731 5.301 -0.570 1
1 51 . 9 1 1 A 11 11 TYR CB C 11 38.877 40.303 -1.426 1
1 62 . 9 1 1 A 11 11 TYR C C 11 174.849 175.096 -0.247 1
1 63 . 9 1 1 A 12 12 SER N N 12 117.933 117.495 0.438 1
1 64 . 9 1 1 A 12 12 SER H H 12 8.645 9.087 -0.442 1
1 65 . 9 1 1 A 12 12 SER CA C 12 57.174 56.316 0.858 1
1 66 . 9 1 1 A 12 12 SER HA H 12 5.270 5.708 -0.438 1
1 67 . 9 1 1 A 12 12 SER CB C 12 65.458 65.978 -0.520 1
1 70 . 9 1 1 A 12 12 SER C C 12 173.243 172.698 0.545 1
1 71 . 9 1 1 A 13 13 CYS N N 13 125.607 122.563 3.044 1
1 72 . 9 1 1 A 13 13 CYS H H 13 9.185 9.330 -0.145 1
1 73 . 9 1 1 A 13 13 CYS CA C 13 59.445 58.590 0.855 1
1 74 . 9 1 1 A 13 13 CYS HA H 13 4.513 4.836 -0.323 1
1 75 . 9 1 1 A 13 13 CYS CB C 13 30.133 29.162 0.971 1
1 78 . 9 1 1 A 13 13 CYS C C 13 176.806 174.610 2.196 1
1 79 . 9 1 1 A 14 14 ASN CA C 14 55.571 54.149 1.422 1
1 80 . 9 1 1 A 14 14 ASN HA H 14 4.532 5.015 -0.483 1
1 81 . 9 1 1 A 14 14 ASN CB C 14 37.747 40.106 -2.359 1
1 87 . 9 1 1 A 14 14 ASN C C 14 175.128 177.051 -1.923 1
1 88 . 9 1 1 A 15 15 GLU N N 15 121.346 119.309 2.037 1
1 89 . 9 1 1 A 15 15 GLU H H 15 8.862 8.167 0.695 1
1 90 . 9 1 1 A 15 15 GLU CA C 15 58.395 59.283 -0.888 1
1 91 . 9 1 1 A 15 15 GLU HA H 15 4.262 3.992 0.270 1
1 92 . 9 1 1 A 15 15 GLU CB C 15 29.692 29.117 0.575 1
1 98 . 9 1 1 A 15 15 GLU C C 15 177.050 178.029 -0.979 1
1 99 . 9 1 1 A 16 16 CYS N N 16 115.108 114.710 0.398 1
1 100 . 9 1 1 A 16 16 CYS H H 16 7.955 7.127 0.828 1
1 101 . 9 1 1 A 16 16 CYS CA C 16 58.406 59.529 -1.123 1
1 102 . 9 1 1 A 16 16 CYS HA H 16 5.166 4.489 0.677 1
1 103 . 9 1 1 A 16 16 CYS CB C 16 32.552 29.505 3.047 1
1 106 . 9 1 1 A 16 16 CYS C C 16 176.113 175.186 0.927 1
1 107 . 9 1 1 A 17 17 GLY N N 17 113.282 109.031 4.251 1
1 108 . 9 1 1 A 17 17 GLY H H 17 8.210 7.451 0.759 1
1 109 . 9 1 1 A 17 17 GLY CA C 17 46.158 44.786 1.372 1
1 110 . 9 1 1 A 17 17 GLY HA2 H 17 4.229 4.083 0.146 1
1 111 . 9 1 1 A 17 17 GLY HA3 H 17 3.869 4.097 -0.228 1
1 112 . 9 1 1 A 17 17 GLY C C 17 174.168 172.201 1.967 1
1 113 . 9 1 1 A 18 18 LYS N N 18 123.728 124.112 -0.384 1
1 114 . 9 1 1 A 18 18 LYS H H 18 8.024 8.467 -0.443 1
1 115 . 9 1 1 A 18 18 LYS CA C 18 58.388 55.388 3.000 1
1 116 . 9 1 1 A 18 18 LYS HA H 18 3.899 4.629 -0.730 1
1 117 . 9 1 1 A 18 18 LYS CB C 18 33.570 35.725 -2.155 1
1 129 . 9 1 1 A 18 18 LYS C C 18 173.522 174.237 -0.715 1
1 130 . 9 1 1 A 19 19 ALA N N 19 124.052 123.136 0.916 1
1 131 . 9 1 1 A 19 19 ALA H H 19 7.694 8.417 -0.723 1
1 132 . 9 1 1 A 19 19 ALA CA C 19 50.399 50.051 0.348 1
1 133 . 9 1 1 A 19 19 ALA HA H 19 5.061 5.537 -0.476 1
1 134 . 9 1 1 A 19 19 ALA CB C 19 22.152 23.710 -1.558 1
1 138 . 9 1 1 A 19 19 ALA C C 19 176.089 175.073 1.016 1
1 139 . 9 1 1 A 20 20 PHE N N 20 116.696 116.437 0.259 1
1 140 . 9 1 1 A 20 20 PHE H H 20 8.620 9.110 -0.490 1
1 141 . 9 1 1 A 20 20 PHE CA C 20 57.273 56.607 0.666 1
1 142 . 9 1 1 A 20 20 PHE HA H 20 4.731 4.895 -0.164 1
1 143 . 9 1 1 A 20 20 PHE CB C 20 43.640 43.104 0.536 1
1 156 . 9 1 1 A 20 20 PHE C C 20 174.983 175.679 -0.696 1
1 157 . 9 1 1 A 21 21 THR N N 21 118.634 116.351 2.283 1
1 158 . 9 1 1 A 21 21 THR H H 21 8.744 8.843 -0.099 1
1 159 . 9 1 1 A 21 21 THR CA C 21 66.285 65.410 0.875 1
1 160 . 9 1 1 A 21 21 THR HA H 21 4.059 4.365 -0.306 1
1 161 . 9 1 1 A 21 21 THR CB C 21 69.676 69.074 0.602 1
1 167 . 9 1 1 A 21 21 THR C C 21 173.364 175.199 -1.835 1
1 168 . 9 1 1 A 22 22 PHE N N 22 114.894 117.559 -2.665 1
1 169 . 9 1 1 A 22 22 PHE H H 22 7.843 8.084 -0.241 1
1 170 . 9 1 1 A 22 22 PHE CA C 22 55.721 57.166 -1.445 1
1 171 . 9 1 1 A 22 22 PHE HA H 22 5.181 4.674 0.507 1
1 172 . 9 1 1 A 22 22 PHE CB C 22 42.090 41.250 0.840 1
1 185 . 9 1 1 A 22 22 PHE C C 22 176.381 175.532 0.849 1
1 186 . 9 1 1 A 23 23 LYS N N 23 127.457 123.184 4.273 1
1 187 . 9 1 1 A 23 23 LYS H H 23 8.657 8.347 0.310 1
1 188 . 9 1 1 A 23 23 LYS CA C 23 59.680 59.688 -0.008 1
1 189 . 9 1 1 A 23 23 LYS HA H 23 3.019 3.389 -0.370 1
1 190 . 9 1 1 A 23 23 LYS CB C 23 31.653 32.075 -0.422 1
1 202 . 9 1 1 A 23 23 LYS C C 23 178.376 177.900 0.476 1
1 203 . 9 1 1 A 24 24 SER N N 24 112.175 114.736 -2.561 1
1 204 . 9 1 1 A 24 24 SER H H 24 8.574 8.372 0.202 1
1 205 . 9 1 1 A 24 24 SER CA C 24 60.972 61.353 -0.381 1
1 206 . 9 1 1 A 24 24 SER HA H 24 3.910 4.147 -0.237 1
1 207 . 9 1 1 A 24 24 SER CB C 24 61.493 62.598 -1.105 1
1 210 . 9 1 1 A 24 24 SER C C 24 176.806 177.106 -0.300 1
1 211 . 9 1 1 A 25 25 GLN N N 25 119.551 121.037 -1.486 1
1 212 . 9 1 1 A 25 25 GLN H H 25 6.928 8.261 -1.333 1
1 213 . 9 1 1 A 25 25 GLN CA C 25 57.625 58.793 -1.168 1
1 214 . 9 1 1 A 25 25 GLN HA H 25 3.953 4.027 -0.074 1
1 215 . 9 1 1 A 25 25 GLN CB C 25 28.886 28.227 0.659 1
1 224 . 9 1 1 A 25 25 GLN C C 25 178.754 177.820 0.934 1
1 225 . 9 1 1 A 26 26 LEU N N 26 122.090 120.583 1.507 1
1 226 . 9 1 1 A 26 26 LEU H H 26 6.947 7.890 -0.943 1
1 227 . 9 1 1 A 26 26 LEU CA C 26 57.533 57.094 0.439 1
1 228 . 9 1 1 A 26 26 LEU HA H 26 3.309 2.846 0.463 1
1 229 . 9 1 1 A 26 26 LEU CB C 26 40.550 41.889 -1.339 1
1 242 . 9 1 1 A 26 26 LEU C C 26 177.318 178.437 -1.119 1
1 243 . 9 1 1 A 27 27 ILE N N 27 118.535 119.527 -0.992 1
1 244 . 9 1 1 A 27 27 ILE H H 27 7.955 7.945 0.010 1
1 245 . 9 1 1 A 27 27 ILE CA C 27 64.986 65.280 -0.294 1
1 246 . 9 1 1 A 27 27 ILE HA H 27 3.526 3.546 -0.020 1
1 247 . 9 1 1 A 27 27 ILE CB C 27 37.335 37.746 -0.411 1
1 260 . 9 1 1 A 27 27 ILE C C 27 179.131 178.270 0.861 1
1 261 . 9 1 1 A 28 28 VAL N N 28 118.816 119.978 -1.162 1
1 262 . 9 1 1 A 28 28 VAL H H 28 7.337 7.675 -0.338 1
1 263 . 9 1 1 A 28 28 VAL CA C 28 66.188 66.302 -0.114 1
1 264 . 9 1 1 A 28 28 VAL HA H 28 3.647 3.466 0.181 1
1 265 . 9 1 1 A 28 28 VAL CB C 28 32.100 31.655 0.445 1
1 275 . 9 1 1 A 28 28 VAL C C 28 179.034 177.920 1.114 1
1 276 . 9 1 1 A 29 29 HIS N N 29 120.386 119.049 1.337 1
1 277 . 9 1 1 A 29 29 HIS H H 29 7.693 7.738 -0.045 1
1 278 . 9 1 1 A 29 29 HIS CA C 29 59.203 59.289 -0.086 1
1 279 . 9 1 1 A 29 29 HIS HA H 29 4.191 4.139 0.052 1
1 280 . 9 1 1 A 29 29 HIS CB C 29 28.639 29.826 -1.187 1
1 287 . 9 1 1 A 29 29 HIS C C 29 175.639 177.053 -1.414 1
1 288 . 9 1 1 A 30 30 LYS N N 30 116.039 118.313 -2.274 1
1 289 . 9 1 1 A 30 30 LYS H H 30 8.110 8.221 -0.111 1
1 290 . 9 1 1 A 30 30 LYS CA C 30 59.972 59.172 0.800 1
1 291 . 9 1 1 A 30 30 LYS HA H 30 3.744 4.033 -0.289 1
1 292 . 9 1 1 A 30 30 LYS CB C 30 31.811 32.147 -0.336 1
1 304 . 9 1 1 A 30 30 LYS C C 30 178.535 179.830 -1.295 1
1 305 . 9 1 1 A 31 31 GLY N N 31 105.302 108.209 -2.907 1
1 306 . 9 1 1 A 31 31 GLY H H 31 7.535 8.065 -0.530 1
1 307 . 9 1 1 A 31 31 GLY CA C 31 46.631 47.341 -0.710 1
1 308 . 9 1 1 A 31 31 GLY HA2 H 31 3.896 3.688 0.208 1
1 309 . 9 1 1 A 31 31 GLY HA3 H 31 4.014 3.710 0.304 1
1 310 . 9 1 1 A 31 31 GLY C C 31 175.882 176.057 -0.175 1
1 311 . 9 1 1 A 32 32 VAL N N 32 117.819 120.183 -2.364 1
1 312 . 9 1 1 A 32 32 VAL H H 32 8.006 7.887 0.119 1
1 313 . 9 1 1 A 32 32 VAL CA C 32 63.726 65.700 -1.974 1
1 314 . 9 1 1 A 32 32 VAL HA H 32 3.991 3.731 0.260 1
1 315 . 9 1 1 A 32 32 VAL CB C 32 31.119 31.008 0.111 1
1 325 . 9 1 1 A 32 32 VAL C C 32 177.331 177.973 -0.642 1
1 326 . 9 1 1 A 33 33 HIS N N 33 117.685 120.530 -2.845 1
1 327 . 9 1 1 A 33 33 HIS H H 33 7.293 7.194 0.099 1
1 328 . 9 1 1 A 33 33 HIS CA C 33 55.035 58.689 -3.654 1
1 329 . 9 1 1 A 33 33 HIS HA H 33 4.877 4.414 0.463 1
1 330 . 9 1 1 A 33 33 HIS CB C 33 28.797 31.057 -2.260 1
1 337 . 9 1 1 A 33 33 HIS C C 33 175.408 176.677 -1.269 1
1 338 . 9 1 1 A 34 34 THR N N 34 112.317 111.899 0.418 1
1 339 . 9 1 1 A 34 34 THR H H 34 7.791 7.874 -0.083 1
1 340 . 9 1 1 A 34 34 THR CA C 34 62.359 61.303 1.056 1
1 341 . 9 1 1 A 34 34 THR HA H 34 4.379 4.289 0.090 1
1 342 . 9 1 1 A 34 34 THR CB C 34 69.838 67.568 2.270 1
1 348 . 9 1 1 A 34 34 THR C C 34 175.262 173.896 1.366 1
1 349 . 9 1 1 A 35 35 GLY N N 35 111.103 110.794 0.309 1
1 350 . 9 1 1 A 35 35 GLY H H 35 8.318 7.984 0.334 1
1 351 . 9 1 1 A 35 35 GLY CA C 35 45.398 44.321 1.077 1
1 352 . 9 1 1 A 35 35 GLY HA2 H 35 3.994 4.016 -0.022 1
1 353 . 9 1 1 A 35 35 GLY HA3 H 35 3.994 4.028 -0.034 1
1 354 . 9 1 1 A 35 35 GLY C C 35 173.875 173.106 0.769 1
1 355 . 9 1 1 A 36 36 VAL N N 36 119.868 119.355 0.513 1
1 356 . 9 1 1 A 36 36 VAL H H 36 7.956 8.412 -0.456 1
1 357 . 9 1 1 A 36 36 VAL CA C 36 62.215 61.853 0.362 1
1 358 . 9 1 1 A 36 36 VAL HA H 36 4.087 4.191 -0.104 1
1 359 . 9 1 1 A 36 36 VAL CB C 36 32.793 32.884 -0.091 1
1 369 . 9 1 1 A 36 36 VAL C C 36 176.041 175.187 0.854 1
1 370 . 9 1 1 A 37 37 LYS N N 37 127.378 123.134 4.244 1
1 371 . 9 1 1 A 37 37 LYS H H 37 8.475 8.298 0.177 1
1 372 . 9 1 1 A 37 37 LYS CA C 37 54.080 53.098 0.982 1
1 373 . 9 1 1 A 37 37 LYS HA H 37 4.624 4.635 -0.011 1
1 374 . 9 1 1 A 37 37 LYS CB C 37 32.545 35.827 -3.282 1
1 385 . 9 1 1 A 37 37 LYS C C 37 174.473 174.354 0.119 1
1 386 . 9 1 1 A 38 38 PRO CA C 38 63.166 62.699 0.467 1
1 387 . 9 1 1 A 38 38 PRO HA H 38 4.465 4.767 -0.302 1
1 388 . 9 1 1 A 38 38 PRO CB C 38 32.220 33.332 -1.112 1
1 397 . 9 1 1 A 41 41 PRO CA C 41 63.295 64.910 -1.615 1
1 398 . 9 1 1 A 41 41 PRO HA H 41 4.485 4.351 0.134 1
1 399 . 9 1 1 A 41 41 PRO CB C 41 32.225 31.843 0.382 1
1 408 . 9 1 1 A 43 43 SER CA C 43 58.583 57.298 1.285 1
1 409 . 9 1 1 A 43 43 SER HA H 43 4.460 4.727 -0.267 1
1 410 . 9 1 1 A 43 43 SER CB C 43 63.880 64.441 -0.561 1
1 413 . 9 1 1 A 43 43 SER C C 43 173.861 174.921 -1.060 1
1 1 . 10 1 1 A 7 7 GLY N N 7 110.455 108.076 2.379 1
1 2 . 10 1 1 A 7 7 GLY H H 7 8.367 8.204 0.163 1
1 3 . 10 1 1 A 7 7 GLY CA C 7 45.260 44.938 0.322 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 3.916 4.058 -0.142 1
1 5 . 10 1 1 A 7 7 GLY HA3 H 7 3.916 4.061 -0.145 1
1 6 . 10 1 1 A 7 7 GLY C C 7 174.007 174.145 -0.138 1
1 7 . 10 1 1 A 8 8 GLU N N 8 120.208 122.408 -2.200 1
1 8 . 10 1 1 A 8 8 GLU H H 8 8.176 8.257 -0.081 1
1 9 . 10 1 1 A 8 8 GLU CA C 8 56.854 56.992 -0.138 1
1 10 . 10 1 1 A 8 8 GLU HA H 8 4.160 4.312 -0.152 1
1 11 . 10 1 1 A 8 8 GLU CB C 8 30.376 30.401 -0.025 1
1 17 . 10 1 1 A 8 8 GLU C C 8 176.369 176.306 0.063 1
1 18 . 10 1 1 A 9 9 LYS N N 9 121.925 124.020 -2.095 1
1 19 . 10 1 1 A 9 9 LYS H H 9 8.248 8.242 0.006 1
1 20 . 10 1 1 A 9 9 LYS CA C 9 53.835 52.602 1.233 1
1 21 . 10 1 1 A 9 9 LYS HA H 9 4.472 4.953 -0.481 1
1 22 . 10 1 1 A 9 9 LYS CB C 9 33.228 33.627 -0.399 1
1 34 . 10 1 1 A 9 9 LYS C C 9 174.035 175.912 -1.877 1
1 35 . 10 1 1 A 10 10 PRO CA C 10 63.591 63.845 -0.254 1
1 36 . 10 1 1 A 10 10 PRO HA H 10 4.246 4.371 -0.125 1
1 37 . 10 1 1 A 10 10 PRO CB C 10 32.267 31.290 0.977 1
1 46 . 10 1 1 A 10 10 PRO C C 10 176.492 175.626 0.866 1
1 47 . 10 1 1 A 11 11 TYR N N 11 117.866 119.598 -1.732 1
1 48 . 10 1 1 A 11 11 TYR H H 11 7.767 7.163 0.604 1
1 49 . 10 1 1 A 11 11 TYR CA C 11 57.355 56.827 0.528 1
1 50 . 10 1 1 A 11 11 TYR HA H 11 4.731 5.377 -0.646 1
1 51 . 10 1 1 A 11 11 TYR CB C 11 38.877 40.520 -1.643 1
1 62 . 10 1 1 A 11 11 TYR C C 11 174.849 175.056 -0.207 1
1 63 . 10 1 1 A 12 12 SER N N 12 117.933 117.918 0.015 1
1 64 . 10 1 1 A 12 12 SER H H 12 8.645 9.084 -0.439 1
1 65 . 10 1 1 A 12 12 SER CA C 12 57.174 56.376 0.798 1
1 66 . 10 1 1 A 12 12 SER HA H 12 5.270 5.570 -0.300 1
1 67 . 10 1 1 A 12 12 SER CB C 12 65.458 65.847 -0.389 1
1 70 . 10 1 1 A 12 12 SER C C 12 173.243 172.907 0.336 1
1 71 . 10 1 1 A 13 13 CYS N N 13 125.607 121.463 4.144 1
1 72 . 10 1 1 A 13 13 CYS H H 13 9.185 9.213 -0.028 1
1 73 . 10 1 1 A 13 13 CYS CA C 13 59.445 58.216 1.229 1
1 74 . 10 1 1 A 13 13 CYS HA H 13 4.513 4.867 -0.354 1
1 75 . 10 1 1 A 13 13 CYS CB C 13 30.133 29.447 0.686 1
1 78 . 10 1 1 A 13 13 CYS C C 13 176.806 174.542 2.264 1
1 79 . 10 1 1 A 14 14 ASN CA C 14 55.571 54.180 1.391 1
1 80 . 10 1 1 A 14 14 ASN HA H 14 4.532 5.004 -0.472 1
1 81 . 10 1 1 A 14 14 ASN CB C 14 37.747 40.404 -2.657 1
1 87 . 10 1 1 A 14 14 ASN C C 14 175.128 176.916 -1.788 1
1 88 . 10 1 1 A 15 15 GLU N N 15 121.346 119.983 1.363 1
1 89 . 10 1 1 A 15 15 GLU H H 15 8.862 8.140 0.722 1
1 90 . 10 1 1 A 15 15 GLU CA C 15 58.395 59.035 -0.640 1
1 91 . 10 1 1 A 15 15 GLU HA H 15 4.262 3.911 0.351 1
1 92 . 10 1 1 A 15 15 GLU CB C 15 29.692 28.698 0.994 1
1 98 . 10 1 1 A 15 15 GLU C C 15 177.050 178.312 -1.262 1
1 99 . 10 1 1 A 16 16 CYS N N 16 115.108 114.433 0.675 1
1 100 . 10 1 1 A 16 16 CYS H H 16 7.955 6.966 0.989 1
1 101 . 10 1 1 A 16 16 CYS CA C 16 58.406 59.109 -0.703 1
1 102 . 10 1 1 A 16 16 CYS HA H 16 5.166 4.490 0.676 1
1 103 . 10 1 1 A 16 16 CYS CB C 16 32.552 29.337 3.215 1
1 106 . 10 1 1 A 16 16 CYS C C 16 176.113 175.503 0.610 1
1 107 . 10 1 1 A 17 17 GLY N N 17 113.282 110.180 3.102 1
1 108 . 10 1 1 A 17 17 GLY H H 17 8.210 7.514 0.696 1
1 109 . 10 1 1 A 17 17 GLY CA C 17 46.158 44.701 1.457 1
1 110 . 10 1 1 A 17 17 GLY HA2 H 17 4.229 4.071 0.158 1
1 111 . 10 1 1 A 17 17 GLY HA3 H 17 3.869 4.089 -0.220 1
1 112 . 10 1 1 A 17 17 GLY C C 17 174.168 172.410 1.758 1
1 113 . 10 1 1 A 18 18 LYS N N 18 123.728 123.417 0.311 1
1 114 . 10 1 1 A 18 18 LYS H H 18 8.024 8.352 -0.328 1
1 115 . 10 1 1 A 18 18 LYS CA C 18 58.388 55.252 3.136 1
1 116 . 10 1 1 A 18 18 LYS HA H 18 3.899 4.639 -0.740 1
1 117 . 10 1 1 A 18 18 LYS CB C 18 33.570 35.653 -2.083 1
1 129 . 10 1 1 A 18 18 LYS C C 18 173.522 174.176 -0.654 1
1 130 . 10 1 1 A 19 19 ALA N N 19 124.052 123.163 0.889 1
1 131 . 10 1 1 A 19 19 ALA H H 19 7.694 8.397 -0.703 1
1 132 . 10 1 1 A 19 19 ALA CA C 19 50.399 49.959 0.440 1
1 133 . 10 1 1 A 19 19 ALA HA H 19 5.061 5.496 -0.435 1
1 134 . 10 1 1 A 19 19 ALA CB C 19 22.152 23.511 -1.359 1
1 138 . 10 1 1 A 19 19 ALA C C 19 176.089 175.135 0.954 1
1 139 . 10 1 1 A 20 20 PHE N N 20 116.696 116.631 0.065 1
1 140 . 10 1 1 A 20 20 PHE H H 20 8.620 9.099 -0.479 1
1 141 . 10 1 1 A 20 20 PHE CA C 20 57.273 56.637 0.636 1
1 142 . 10 1 1 A 20 20 PHE HA H 20 4.731 4.914 -0.183 1
1 143 . 10 1 1 A 20 20 PHE CB C 20 43.640 43.210 0.430 1
1 156 . 10 1 1 A 20 20 PHE C C 20 174.983 175.666 -0.683 1
1 157 . 10 1 1 A 21 21 THR N N 21 118.634 116.093 2.541 1
1 158 . 10 1 1 A 21 21 THR H H 21 8.744 8.909 -0.165 1
1 159 . 10 1 1 A 21 21 THR CA C 21 66.285 64.172 2.113 1
1 160 . 10 1 1 A 21 21 THR HA H 21 4.059 4.540 -0.481 1
1 161 . 10 1 1 A 21 21 THR CB C 21 69.676 69.607 0.069 1
1 167 . 10 1 1 A 21 21 THR C C 21 173.364 175.158 -1.794 1
1 168 . 10 1 1 A 22 22 PHE N N 22 114.894 118.039 -3.145 1
1 169 . 10 1 1 A 22 22 PHE H H 22 7.843 8.246 -0.403 1
1 170 . 10 1 1 A 22 22 PHE CA C 22 55.721 56.668 -0.947 1
1 171 . 10 1 1 A 22 22 PHE HA H 22 5.181 4.778 0.403 1
1 172 . 10 1 1 A 22 22 PHE CB C 22 42.090 41.455 0.635 1
1 185 . 10 1 1 A 22 22 PHE C C 22 176.381 175.561 0.820 1
1 186 . 10 1 1 A 23 23 LYS N N 23 127.457 123.876 3.581 1
1 187 . 10 1 1 A 23 23 LYS H H 23 8.657 8.240 0.417 1
1 188 . 10 1 1 A 23 23 LYS CA C 23 59.680 59.633 0.047 1
1 189 . 10 1 1 A 23 23 LYS HA H 23 3.019 3.261 -0.242 1
1 190 . 10 1 1 A 23 23 LYS CB C 23 31.653 32.148 -0.495 1
1 202 . 10 1 1 A 23 23 LYS C C 23 178.376 177.894 0.482 1
1 203 . 10 1 1 A 24 24 SER N N 24 112.175 114.594 -2.419 1
1 204 . 10 1 1 A 24 24 SER H H 24 8.574 8.331 0.243 1
1 205 . 10 1 1 A 24 24 SER CA C 24 60.972 61.465 -0.493 1
1 206 . 10 1 1 A 24 24 SER HA H 24 3.910 4.151 -0.241 1
1 207 . 10 1 1 A 24 24 SER CB C 24 61.493 62.656 -1.163 1
1 210 . 10 1 1 A 24 24 SER C C 24 176.806 177.167 -0.361 1
1 211 . 10 1 1 A 25 25 GLN N N 25 119.551 120.497 -0.946 1
1 212 . 10 1 1 A 25 25 GLN H H 25 6.928 8.282 -1.354 1
1 213 . 10 1 1 A 25 25 GLN CA C 25 57.625 58.662 -1.037 1
1 214 . 10 1 1 A 25 25 GLN HA H 25 3.953 3.970 -0.017 1
1 215 . 10 1 1 A 25 25 GLN CB C 25 28.886 28.224 0.662 1
1 224 . 10 1 1 A 25 25 GLN C C 25 178.754 177.814 0.940 1
1 225 . 10 1 1 A 26 26 LEU N N 26 122.090 120.103 1.987 1
1 226 . 10 1 1 A 26 26 LEU H H 26 6.947 7.808 -0.861 1
1 227 . 10 1 1 A 26 26 LEU CA C 26 57.533 57.039 0.494 1
1 228 . 10 1 1 A 26 26 LEU HA H 26 3.309 2.664 0.645 1
1 229 . 10 1 1 A 26 26 LEU CB C 26 40.550 41.833 -1.283 1
1 242 . 10 1 1 A 26 26 LEU C C 26 177.318 178.393 -1.075 1
1 243 . 10 1 1 A 27 27 ILE N N 27 118.535 119.648 -1.113 1
1 244 . 10 1 1 A 27 27 ILE H H 27 7.955 7.960 -0.005 1
1 245 . 10 1 1 A 27 27 ILE CA C 27 64.986 65.319 -0.333 1
1 246 . 10 1 1 A 27 27 ILE HA H 27 3.526 3.542 -0.016 1
1 247 . 10 1 1 A 27 27 ILE CB C 27 37.335 37.661 -0.326 1
1 260 . 10 1 1 A 27 27 ILE C C 27 179.131 178.298 0.833 1
1 261 . 10 1 1 A 28 28 VAL N N 28 118.816 119.960 -1.144 1
1 262 . 10 1 1 A 28 28 VAL H H 28 7.337 7.837 -0.500 1
1 263 . 10 1 1 A 28 28 VAL CA C 28 66.188 66.374 -0.186 1
1 264 . 10 1 1 A 28 28 VAL HA H 28 3.647 3.494 0.153 1
1 265 . 10 1 1 A 28 28 VAL CB C 28 32.100 31.580 0.520 1
1 275 . 10 1 1 A 28 28 VAL C C 28 179.034 177.910 1.124 1
1 276 . 10 1 1 A 29 29 HIS N N 29 120.386 119.019 1.367 1
1 277 . 10 1 1 A 29 29 HIS H H 29 7.693 7.667 0.026 1
1 278 . 10 1 1 A 29 29 HIS CA C 29 59.203 59.568 -0.365 1
1 279 . 10 1 1 A 29 29 HIS HA H 29 4.191 4.171 0.020 1
1 280 . 10 1 1 A 29 29 HIS CB C 29 28.639 29.724 -1.085 1
1 287 . 10 1 1 A 29 29 HIS C C 29 175.639 177.281 -1.642 1
1 288 . 10 1 1 A 30 30 LYS N N 30 116.039 118.315 -2.276 1
1 289 . 10 1 1 A 30 30 LYS H H 30 8.110 8.493 -0.383 1
1 290 . 10 1 1 A 30 30 LYS CA C 30 59.972 59.225 0.747 1
1 291 . 10 1 1 A 30 30 LYS HA H 30 3.744 4.074 -0.330 1
1 292 . 10 1 1 A 30 30 LYS CB C 30 31.811 32.244 -0.433 1
1 304 . 10 1 1 A 30 30 LYS C C 30 178.535 180.036 -1.501 1
1 305 . 10 1 1 A 31 31 GLY N N 31 105.302 107.950 -2.648 1
1 306 . 10 1 1 A 31 31 GLY H H 31 7.535 7.922 -0.387 1
1 307 . 10 1 1 A 31 31 GLY CA C 31 46.631 46.965 -0.334 1
1 308 . 10 1 1 A 31 31 GLY HA2 H 31 3.896 3.682 0.214 1
1 309 . 10 1 1 A 31 31 GLY HA3 H 31 4.014 3.703 0.311 1
1 310 . 10 1 1 A 31 31 GLY C C 31 175.882 176.291 -0.409 1
1 311 . 10 1 1 A 32 32 VAL N N 32 117.819 119.577 -1.758 1
1 312 . 10 1 1 A 32 32 VAL H H 32 8.006 7.436 0.570 1
1 313 . 10 1 1 A 32 32 VAL CA C 32 63.726 65.573 -1.847 1
1 314 . 10 1 1 A 32 32 VAL HA H 32 3.991 3.685 0.306 1
1 315 . 10 1 1 A 32 32 VAL CB C 32 31.119 30.959 0.160 1
1 325 . 10 1 1 A 32 32 VAL C C 32 177.331 177.280 0.051 1
1 326 . 10 1 1 A 33 33 HIS N N 33 117.685 120.335 -2.650 1
1 327 . 10 1 1 A 33 33 HIS H H 33 7.293 7.253 0.040 1
1 328 . 10 1 1 A 33 33 HIS CA C 33 55.035 58.135 -3.100 1
1 329 . 10 1 1 A 33 33 HIS HA H 33 4.877 4.526 0.351 1
1 330 . 10 1 1 A 33 33 HIS CB C 33 28.797 30.663 -1.866 1
1 337 . 10 1 1 A 33 33 HIS C C 33 175.408 177.477 -2.069 1
1 338 . 10 1 1 A 34 34 THR N N 34 112.317 113.595 -1.278 1
1 339 . 10 1 1 A 34 34 THR H H 34 7.791 8.180 -0.389 1
1 340 . 10 1 1 A 34 34 THR CA C 34 62.359 65.475 -3.116 1
1 341 . 10 1 1 A 34 34 THR HA H 34 4.379 3.956 0.423 1
1 342 . 10 1 1 A 34 34 THR CB C 34 69.838 68.595 1.243 1
1 348 . 10 1 1 A 34 34 THR C C 34 175.262 176.496 -1.234 1
1 349 . 10 1 1 A 35 35 GLY N N 35 111.103 108.193 2.910 1
1 350 . 10 1 1 A 35 35 GLY H H 35 8.318 8.341 -0.023 1
1 351 . 10 1 1 A 35 35 GLY CA C 35 45.398 47.444 -2.046 1
1 352 . 10 1 1 A 35 35 GLY HA2 H 35 3.994 3.755 0.239 1
1 353 . 10 1 1 A 35 35 GLY HA3 H 35 3.994 3.769 0.225 1
1 354 . 10 1 1 A 35 35 GLY C C 35 173.875 175.185 -1.310 1
1 355 . 10 1 1 A 36 36 VAL N N 36 119.868 120.649 -0.781 1
1 356 . 10 1 1 A 36 36 VAL H H 36 7.956 7.538 0.418 1
1 357 . 10 1 1 A 36 36 VAL CA C 36 62.215 62.690 -0.475 1
1 358 . 10 1 1 A 36 36 VAL HA H 36 4.087 3.985 0.102 1
1 359 . 10 1 1 A 36 36 VAL CB C 36 32.793 32.629 0.164 1
1 369 . 10 1 1 A 36 36 VAL C C 36 176.041 175.274 0.767 1
1 370 . 10 1 1 A 37 37 LYS N N 37 127.378 127.661 -0.283 1
1 371 . 10 1 1 A 37 37 LYS H H 37 8.475 8.469 0.006 1
1 372 . 10 1 1 A 37 37 LYS CA C 37 54.080 52.699 1.381 1
1 373 . 10 1 1 A 37 37 LYS HA H 37 4.624 4.749 -0.125 1
1 374 . 10 1 1 A 37 37 LYS CB C 37 32.545 34.452 -1.907 1
1 385 . 10 1 1 A 37 37 LYS C C 37 174.473 173.995 0.478 1
1 386 . 10 1 1 A 38 38 PRO CA C 38 63.166 62.455 0.711 1
1 387 . 10 1 1 A 38 38 PRO HA H 38 4.465 4.679 -0.214 1
1 388 . 10 1 1 A 38 38 PRO CB C 38 32.220 33.172 -0.952 1
1 397 . 10 1 1 A 41 41 PRO CA C 41 63.295 63.390 -0.095 1
1 398 . 10 1 1 A 41 41 PRO HA H 41 4.485 4.324 0.161 1
1 399 . 10 1 1 A 41 41 PRO CB C 41 32.225 32.184 0.041 1
1 408 . 10 1 1 A 43 43 SER CA C 43 58.583 59.490 -0.907 1
1 409 . 10 1 1 A 43 43 SER HA H 43 4.460 4.535 -0.075 1
1 410 . 10 1 1 A 43 43 SER CB C 43 63.880 65.222 -1.342 1
1 413 . 10 1 1 A 43 43 SER C C 43 173.861 174.778 -0.917 1
1 1 . 11 1 1 A 7 7 GLY N N 7 110.455 106.055 4.400 1
1 2 . 11 1 1 A 7 7 GLY H H 7 8.367 7.479 0.888 1
1 3 . 11 1 1 A 7 7 GLY CA C 7 45.260 45.589 -0.329 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 3.916 4.125 -0.209 1
1 5 . 11 1 1 A 7 7 GLY HA3 H 7 3.916 4.127 -0.211 1
1 6 . 11 1 1 A 7 7 GLY C C 7 174.007 171.892 2.115 1
1 7 . 11 1 1 A 8 8 GLU N N 8 120.208 122.267 -2.059 1
1 8 . 11 1 1 A 8 8 GLU H H 8 8.176 8.400 -0.224 1
1 9 . 11 1 1 A 8 8 GLU CA C 8 56.854 55.106 1.748 1
1 10 . 11 1 1 A 8 8 GLU HA H 8 4.160 4.948 -0.788 1
1 11 . 11 1 1 A 8 8 GLU CB C 8 30.376 32.312 -1.936 1
1 17 . 11 1 1 A 8 8 GLU C C 8 176.369 175.302 1.067 1
1 18 . 11 1 1 A 9 9 LYS N N 9 121.925 121.647 0.278 1
1 19 . 11 1 1 A 9 9 LYS H H 9 8.248 8.554 -0.306 1
1 20 . 11 1 1 A 9 9 LYS CA C 9 53.835 52.340 1.495 1
1 21 . 11 1 1 A 9 9 LYS HA H 9 4.472 4.912 -0.440 1
1 22 . 11 1 1 A 9 9 LYS CB C 9 33.228 33.596 -0.368 1
1 34 . 11 1 1 A 9 9 LYS C C 9 174.035 176.017 -1.982 1
1 35 . 11 1 1 A 10 10 PRO CA C 10 63.591 63.815 -0.224 1
1 36 . 11 1 1 A 10 10 PRO HA H 10 4.246 4.346 -0.100 1
1 37 . 11 1 1 A 10 10 PRO CB C 10 32.267 31.280 0.987 1
1 46 . 11 1 1 A 10 10 PRO C C 10 176.492 175.612 0.880 1
1 47 . 11 1 1 A 11 11 TYR N N 11 117.866 119.582 -1.716 1
1 48 . 11 1 1 A 11 11 TYR H H 11 7.767 7.134 0.633 1
1 49 . 11 1 1 A 11 11 TYR CA C 11 57.355 56.651 0.704 1
1 50 . 11 1 1 A 11 11 TYR HA H 11 4.731 5.352 -0.621 1
1 51 . 11 1 1 A 11 11 TYR CB C 11 38.877 40.496 -1.619 1
1 62 . 11 1 1 A 11 11 TYR C C 11 174.849 174.909 -0.060 1
1 63 . 11 1 1 A 12 12 SER N N 12 117.933 120.300 -2.367 1
1 64 . 11 1 1 A 12 12 SER H H 12 8.645 8.940 -0.295 1
1 65 . 11 1 1 A 12 12 SER CA C 12 57.174 57.519 -0.345 1
1 66 . 11 1 1 A 12 12 SER HA H 12 5.270 5.675 -0.405 1
1 67 . 11 1 1 A 12 12 SER CB C 12 65.458 66.382 -0.924 1
1 70 . 11 1 1 A 12 12 SER C C 12 173.243 172.617 0.626 1
1 71 . 11 1 1 A 13 13 CYS N N 13 125.607 123.366 2.241 1
1 72 . 11 1 1 A 13 13 CYS H H 13 9.185 9.426 -0.241 1
1 73 . 11 1 1 A 13 13 CYS CA C 13 59.445 59.251 0.194 1
1 74 . 11 1 1 A 13 13 CYS HA H 13 4.513 4.808 -0.295 1
1 75 . 11 1 1 A 13 13 CYS CB C 13 30.133 29.242 0.891 1
1 78 . 11 1 1 A 13 13 CYS C C 13 176.806 174.605 2.201 1
1 79 . 11 1 1 A 14 14 ASN CA C 14 55.571 54.011 1.560 1
1 80 . 11 1 1 A 14 14 ASN HA H 14 4.532 4.998 -0.466 1
1 81 . 11 1 1 A 14 14 ASN CB C 14 37.747 40.545 -2.798 1
1 87 . 11 1 1 A 14 14 ASN C C 14 175.128 176.476 -1.348 1
1 88 . 11 1 1 A 15 15 GLU N N 15 121.346 120.381 0.965 1
1 89 . 11 1 1 A 15 15 GLU H H 15 8.862 7.906 0.956 1
1 90 . 11 1 1 A 15 15 GLU CA C 15 58.395 58.969 -0.574 1
1 91 . 11 1 1 A 15 15 GLU HA H 15 4.262 3.960 0.302 1
1 92 . 11 1 1 A 15 15 GLU CB C 15 29.692 29.148 0.544 1
1 98 . 11 1 1 A 15 15 GLU C C 15 177.050 178.559 -1.509 1
1 99 . 11 1 1 A 16 16 CYS N N 16 115.108 114.449 0.659 1
1 100 . 11 1 1 A 16 16 CYS H H 16 7.955 7.116 0.839 1
1 101 . 11 1 1 A 16 16 CYS CA C 16 58.406 59.360 -0.954 1
1 102 . 11 1 1 A 16 16 CYS HA H 16 5.166 4.509 0.657 1
1 103 . 11 1 1 A 16 16 CYS CB C 16 32.552 29.469 3.083 1
1 106 . 11 1 1 A 16 16 CYS C C 16 176.113 175.508 0.605 1
1 107 . 11 1 1 A 17 17 GLY N N 17 113.282 110.132 3.150 1
1 108 . 11 1 1 A 17 17 GLY H H 17 8.210 7.550 0.660 1
1 109 . 11 1 1 A 17 17 GLY CA C 17 46.158 44.700 1.458 1
1 110 . 11 1 1 A 17 17 GLY HA2 H 17 4.229 4.072 0.157 1
1 111 . 11 1 1 A 17 17 GLY HA3 H 17 3.869 4.088 -0.219 1
1 112 . 11 1 1 A 17 17 GLY C C 17 174.168 172.574 1.594 1
1 113 . 11 1 1 A 18 18 LYS N N 18 123.728 123.712 0.016 1
1 114 . 11 1 1 A 18 18 LYS H H 18 8.024 8.276 -0.252 1
1 115 . 11 1 1 A 18 18 LYS CA C 18 58.388 55.361 3.027 1
1 116 . 11 1 1 A 18 18 LYS HA H 18 3.899 4.652 -0.753 1
1 117 . 11 1 1 A 18 18 LYS CB C 18 33.570 35.681 -2.111 1
1 129 . 11 1 1 A 18 18 LYS C C 18 173.522 174.254 -0.732 1
1 130 . 11 1 1 A 19 19 ALA N N 19 124.052 123.416 0.636 1
1 131 . 11 1 1 A 19 19 ALA H H 19 7.694 8.454 -0.760 1
1 132 . 11 1 1 A 19 19 ALA CA C 19 50.399 49.911 0.488 1
1 133 . 11 1 1 A 19 19 ALA HA H 19 5.061 5.533 -0.472 1
1 134 . 11 1 1 A 19 19 ALA CB C 19 22.152 23.508 -1.356 1
1 138 . 11 1 1 A 19 19 ALA C C 19 176.089 175.172 0.917 1
1 139 . 11 1 1 A 20 20 PHE N N 20 116.696 116.325 0.371 1
1 140 . 11 1 1 A 20 20 PHE H H 20 8.620 9.100 -0.480 1
1 141 . 11 1 1 A 20 20 PHE CA C 20 57.273 56.616 0.657 1
1 142 . 11 1 1 A 20 20 PHE HA H 20 4.731 4.880 -0.149 1
1 143 . 11 1 1 A 20 20 PHE CB C 20 43.640 43.189 0.451 1
1 156 . 11 1 1 A 20 20 PHE C C 20 174.983 175.621 -0.638 1
1 157 . 11 1 1 A 21 21 THR N N 21 118.634 116.366 2.268 1
1 158 . 11 1 1 A 21 21 THR H H 21 8.744 8.871 -0.127 1
1 159 . 11 1 1 A 21 21 THR CA C 21 66.285 64.188 2.097 1
1 160 . 11 1 1 A 21 21 THR HA H 21 4.059 4.377 -0.318 1
1 161 . 11 1 1 A 21 21 THR CB C 21 69.676 69.351 0.325 1
1 167 . 11 1 1 A 21 21 THR C C 21 173.364 174.913 -1.549 1
1 168 . 11 1 1 A 22 22 PHE N N 22 114.894 117.552 -2.658 1
1 169 . 11 1 1 A 22 22 PHE H H 22 7.843 7.802 0.041 1
1 170 . 11 1 1 A 22 22 PHE CA C 22 55.721 56.454 -0.733 1
1 171 . 11 1 1 A 22 22 PHE HA H 22 5.181 4.767 0.414 1
1 172 . 11 1 1 A 22 22 PHE CB C 22 42.090 41.580 0.510 1
1 185 . 11 1 1 A 22 22 PHE C C 22 176.381 175.471 0.910 1
1 186 . 11 1 1 A 23 23 LYS N N 23 127.457 123.720 3.737 1
1 187 . 11 1 1 A 23 23 LYS H H 23 8.657 8.262 0.395 1
1 188 . 11 1 1 A 23 23 LYS CA C 23 59.680 59.742 -0.062 1
1 189 . 11 1 1 A 23 23 LYS HA H 23 3.019 3.267 -0.248 1
1 190 . 11 1 1 A 23 23 LYS CB C 23 31.653 32.269 -0.616 1
1 202 . 11 1 1 A 23 23 LYS C C 23 178.376 177.999 0.377 1
1 203 . 11 1 1 A 24 24 SER N N 24 112.175 113.724 -1.549 1
1 204 . 11 1 1 A 24 24 SER H H 24 8.574 8.139 0.435 1
1 205 . 11 1 1 A 24 24 SER CA C 24 60.972 61.611 -0.639 1
1 206 . 11 1 1 A 24 24 SER HA H 24 3.910 4.016 -0.106 1
1 207 . 11 1 1 A 24 24 SER CB C 24 61.493 62.992 -1.499 1
1 210 . 11 1 1 A 24 24 SER C C 24 176.806 177.147 -0.341 1
1 211 . 11 1 1 A 25 25 GLN N N 25 119.551 120.631 -1.080 1
1 212 . 11 1 1 A 25 25 GLN H H 25 6.928 8.284 -1.356 1
1 213 . 11 1 1 A 25 25 GLN CA C 25 57.625 58.930 -1.305 1
1 214 . 11 1 1 A 25 25 GLN HA H 25 3.953 3.955 -0.002 1
1 215 . 11 1 1 A 25 25 GLN CB C 25 28.886 28.417 0.469 1
1 224 . 11 1 1 A 25 25 GLN C C 25 178.754 177.787 0.967 1
1 225 . 11 1 1 A 26 26 LEU N N 26 122.090 120.203 1.887 1
1 226 . 11 1 1 A 26 26 LEU H H 26 6.947 7.853 -0.906 1
1 227 . 11 1 1 A 26 26 LEU CA C 26 57.533 56.865 0.668 1
1 228 . 11 1 1 A 26 26 LEU HA H 26 3.309 2.593 0.716 1
1 229 . 11 1 1 A 26 26 LEU CB C 26 40.550 41.561 -1.011 1
1 242 . 11 1 1 A 26 26 LEU C C 26 177.318 178.560 -1.242 1
1 243 . 11 1 1 A 27 27 ILE N N 27 118.535 119.129 -0.594 1
1 244 . 11 1 1 A 27 27 ILE H H 27 7.955 7.927 0.028 1
1 245 . 11 1 1 A 27 27 ILE CA C 27 64.986 65.281 -0.295 1
1 246 . 11 1 1 A 27 27 ILE HA H 27 3.526 3.563 -0.037 1
1 247 . 11 1 1 A 27 27 ILE CB C 27 37.335 37.595 -0.260 1
1 260 . 11 1 1 A 27 27 ILE C C 27 179.131 178.242 0.889 1
1 261 . 11 1 1 A 28 28 VAL N N 28 118.816 120.502 -1.686 1
1 262 . 11 1 1 A 28 28 VAL H H 28 7.337 7.768 -0.431 1
1 263 . 11 1 1 A 28 28 VAL CA C 28 66.188 66.307 -0.119 1
1 264 . 11 1 1 A 28 28 VAL HA H 28 3.647 3.472 0.175 1
1 265 . 11 1 1 A 28 28 VAL CB C 28 32.100 31.700 0.400 1
1 275 . 11 1 1 A 28 28 VAL C C 28 179.034 177.958 1.076 1
1 276 . 11 1 1 A 29 29 HIS N N 29 120.386 119.194 1.192 1
1 277 . 11 1 1 A 29 29 HIS H H 29 7.693 7.759 -0.066 1
1 278 . 11 1 1 A 29 29 HIS CA C 29 59.203 59.660 -0.457 1
1 279 . 11 1 1 A 29 29 HIS HA H 29 4.191 4.126 0.065 1
1 280 . 11 1 1 A 29 29 HIS CB C 29 28.639 29.800 -1.161 1
1 287 . 11 1 1 A 29 29 HIS C C 29 175.639 177.069 -1.430 1
1 288 . 11 1 1 A 30 30 LYS N N 30 116.039 118.225 -2.186 1
1 289 . 11 1 1 A 30 30 LYS H H 30 8.110 8.261 -0.151 1
1 290 . 11 1 1 A 30 30 LYS CA C 30 59.972 59.128 0.844 1
1 291 . 11 1 1 A 30 30 LYS HA H 30 3.744 4.041 -0.297 1
1 292 . 11 1 1 A 30 30 LYS CB C 30 31.811 32.295 -0.484 1
1 304 . 11 1 1 A 30 30 LYS C C 30 178.535 179.850 -1.315 1
1 305 . 11 1 1 A 31 31 GLY N N 31 105.302 108.200 -2.898 1
1 306 . 11 1 1 A 31 31 GLY H H 31 7.535 7.851 -0.316 1
1 307 . 11 1 1 A 31 31 GLY CA C 31 46.631 47.431 -0.800 1
1 308 . 11 1 1 A 31 31 GLY HA2 H 31 3.896 3.637 0.259 1
1 309 . 11 1 1 A 31 31 GLY HA3 H 31 4.014 3.659 0.355 1
1 310 . 11 1 1 A 31 31 GLY C C 31 175.882 176.091 -0.209 1
1 311 . 11 1 1 A 32 32 VAL N N 32 117.819 120.106 -2.287 1
1 312 . 11 1 1 A 32 32 VAL H H 32 8.006 7.875 0.131 1
1 313 . 11 1 1 A 32 32 VAL CA C 32 63.726 65.299 -1.573 1
1 314 . 11 1 1 A 32 32 VAL HA H 32 3.991 3.726 0.265 1
1 315 . 11 1 1 A 32 32 VAL CB C 32 31.119 31.078 0.041 1
1 325 . 11 1 1 A 32 32 VAL C C 32 177.331 177.020 0.311 1
1 326 . 11 1 1 A 33 33 HIS N N 33 117.685 120.233 -2.548 1
1 327 . 11 1 1 A 33 33 HIS H H 33 7.293 7.162 0.131 1
1 328 . 11 1 1 A 33 33 HIS CA C 33 55.035 58.108 -3.073 1
1 329 . 11 1 1 A 33 33 HIS HA H 33 4.877 4.507 0.370 1
1 330 . 11 1 1 A 33 33 HIS CB C 33 28.797 30.877 -2.080 1
1 337 . 11 1 1 A 33 33 HIS C C 33 175.408 178.242 -2.834 1
1 338 . 11 1 1 A 34 34 THR N N 34 112.317 113.397 -1.080 1
1 339 . 11 1 1 A 34 34 THR H H 34 7.791 8.361 -0.570 1
1 340 . 11 1 1 A 34 34 THR CA C 34 62.359 65.383 -3.024 1
1 341 . 11 1 1 A 34 34 THR HA H 34 4.379 4.028 0.351 1
1 342 . 11 1 1 A 34 34 THR CB C 34 69.838 68.135 1.703 1
1 348 . 11 1 1 A 34 34 THR C C 34 175.262 175.825 -0.563 1
1 349 . 11 1 1 A 35 35 GLY N N 35 111.103 110.739 0.364 1
1 350 . 11 1 1 A 35 35 GLY H H 35 8.318 8.142 0.176 1
1 351 . 11 1 1 A 35 35 GLY CA C 35 45.398 44.508 0.890 1
1 352 . 11 1 1 A 35 35 GLY HA2 H 35 3.994 4.048 -0.054 1
1 353 . 11 1 1 A 35 35 GLY HA3 H 35 3.994 4.057 -0.063 1
1 354 . 11 1 1 A 35 35 GLY C C 35 173.875 173.563 0.312 1
1 355 . 11 1 1 A 36 36 VAL N N 36 119.868 117.939 1.929 1
1 356 . 11 1 1 A 36 36 VAL H H 36 7.956 8.363 -0.407 1
1 357 . 11 1 1 A 36 36 VAL CA C 36 62.215 62.489 -0.274 1
1 358 . 11 1 1 A 36 36 VAL HA H 36 4.087 4.020 0.067 1
1 359 . 11 1 1 A 36 36 VAL CB C 36 32.793 32.178 0.615 1
1 369 . 11 1 1 A 36 36 VAL C C 36 176.041 175.164 0.877 1
1 370 . 11 1 1 A 37 37 LYS N N 37 127.378 123.551 3.827 1
1 371 . 11 1 1 A 37 37 LYS H H 37 8.475 8.360 0.115 1
1 372 . 11 1 1 A 37 37 LYS CA C 37 54.080 53.023 1.057 1
1 373 . 11 1 1 A 37 37 LYS HA H 37 4.624 4.629 -0.005 1
1 374 . 11 1 1 A 37 37 LYS CB C 37 32.545 36.340 -3.795 1
1 385 . 11 1 1 A 37 37 LYS C C 37 174.473 174.051 0.422 1
1 386 . 11 1 1 A 38 38 PRO CA C 38 63.166 62.673 0.493 1
1 387 . 11 1 1 A 38 38 PRO HA H 38 4.465 4.497 -0.032 1
1 388 . 11 1 1 A 38 38 PRO CB C 38 32.220 32.204 0.016 1
1 397 . 11 1 1 A 41 41 PRO CA C 41 63.295 62.583 0.712 1
1 398 . 11 1 1 A 41 41 PRO HA H 41 4.485 4.484 0.001 1
1 399 . 11 1 1 A 41 41 PRO CB C 41 32.225 32.569 -0.344 1
1 408 . 11 1 1 A 43 43 SER CA C 43 58.583 60.029 -1.446 1
1 409 . 11 1 1 A 43 43 SER HA H 43 4.460 4.336 0.124 1
1 410 . 11 1 1 A 43 43 SER CB C 43 63.880 64.136 -0.256 1
1 413 . 11 1 1 A 43 43 SER C C 43 173.861 175.553 -1.692 1
1 1 . 12 1 1 A 7 7 GLY N N 7 110.455 113.865 -3.410 1
1 2 . 12 1 1 A 7 7 GLY H H 7 8.367 8.843 -0.476 1
1 3 . 12 1 1 A 7 7 GLY CA C 7 45.260 44.276 0.984 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 3.916 4.376 -0.460 1
1 5 . 12 1 1 A 7 7 GLY HA3 H 7 3.916 4.376 -0.460 1
1 6 . 12 1 1 A 7 7 GLY C C 7 174.007 172.475 1.532 1
1 7 . 12 1 1 A 8 8 GLU N N 8 120.208 119.627 0.581 1
1 8 . 12 1 1 A 8 8 GLU H H 8 8.176 8.543 -0.367 1
1 9 . 12 1 1 A 8 8 GLU CA C 8 56.854 57.673 -0.819 1
1 10 . 12 1 1 A 8 8 GLU HA H 8 4.160 4.106 0.054 1
1 11 . 12 1 1 A 8 8 GLU CB C 8 30.376 29.856 0.520 1
1 17 . 12 1 1 A 8 8 GLU C C 8 176.369 176.397 -0.028 1
1 18 . 12 1 1 A 9 9 LYS N N 9 121.925 124.734 -2.809 1
1 19 . 12 1 1 A 9 9 LYS H H 9 8.248 8.431 -0.183 1
1 20 . 12 1 1 A 9 9 LYS CA C 9 53.835 52.421 1.414 1
1 21 . 12 1 1 A 9 9 LYS HA H 9 4.472 4.886 -0.414 1
1 22 . 12 1 1 A 9 9 LYS CB C 9 33.228 33.722 -0.494 1
1 34 . 12 1 1 A 9 9 LYS C C 9 174.035 175.887 -1.852 1
1 35 . 12 1 1 A 10 10 PRO CA C 10 63.591 63.823 -0.232 1
1 36 . 12 1 1 A 10 10 PRO HA H 10 4.246 4.348 -0.102 1
1 37 . 12 1 1 A 10 10 PRO CB C 10 32.267 31.259 1.008 1
1 46 . 12 1 1 A 10 10 PRO C C 10 176.492 175.622 0.870 1
1 47 . 12 1 1 A 11 11 TYR N N 11 117.866 119.553 -1.687 1
1 48 . 12 1 1 A 11 11 TYR H H 11 7.767 7.109 0.658 1
1 49 . 12 1 1 A 11 11 TYR CA C 11 57.355 56.855 0.500 1
1 50 . 12 1 1 A 11 11 TYR HA H 11 4.731 5.372 -0.641 1
1 51 . 12 1 1 A 11 11 TYR CB C 11 38.877 40.519 -1.642 1
1 62 . 12 1 1 A 11 11 TYR C C 11 174.849 175.214 -0.365 1
1 63 . 12 1 1 A 12 12 SER N N 12 117.933 117.900 0.033 1
1 64 . 12 1 1 A 12 12 SER H H 12 8.645 9.092 -0.447 1
1 65 . 12 1 1 A 12 12 SER CA C 12 57.174 56.391 0.783 1
1 66 . 12 1 1 A 12 12 SER HA H 12 5.270 5.602 -0.332 1
1 67 . 12 1 1 A 12 12 SER CB C 12 65.458 65.911 -0.453 1
1 70 . 12 1 1 A 12 12 SER C C 12 173.243 172.928 0.315 1
1 71 . 12 1 1 A 13 13 CYS N N 13 125.607 121.779 3.828 1
1 72 . 12 1 1 A 13 13 CYS H H 13 9.185 9.185 0.000 1
1 73 . 12 1 1 A 13 13 CYS CA C 13 59.445 57.754 1.691 1
1 74 . 12 1 1 A 13 13 CYS HA H 13 4.513 4.994 -0.481 1
1 75 . 12 1 1 A 13 13 CYS CB C 13 30.133 29.904 0.229 1
1 78 . 12 1 1 A 13 13 CYS C C 13 176.806 174.540 2.266 1
1 79 . 12 1 1 A 14 14 ASN CA C 14 55.571 54.290 1.281 1
1 80 . 12 1 1 A 14 14 ASN HA H 14 4.532 4.922 -0.390 1
1 81 . 12 1 1 A 14 14 ASN CB C 14 37.747 39.905 -2.158 1
1 87 . 12 1 1 A 14 14 ASN C C 14 175.128 177.220 -2.092 1
1 88 . 12 1 1 A 15 15 GLU N N 15 121.346 118.724 2.622 1
1 89 . 12 1 1 A 15 15 GLU H H 15 8.862 8.278 0.584 1
1 90 . 12 1 1 A 15 15 GLU CA C 15 58.395 59.272 -0.877 1
1 91 . 12 1 1 A 15 15 GLU HA H 15 4.262 3.896 0.366 1
1 92 . 12 1 1 A 15 15 GLU CB C 15 29.692 28.852 0.840 1
1 98 . 12 1 1 A 15 15 GLU C C 15 177.050 178.265 -1.215 1
1 99 . 12 1 1 A 16 16 CYS N N 16 115.108 114.320 0.788 1
1 100 . 12 1 1 A 16 16 CYS H H 16 7.955 7.018 0.937 1
1 101 . 12 1 1 A 16 16 CYS CA C 16 58.406 58.965 -0.559 1
1 102 . 12 1 1 A 16 16 CYS HA H 16 5.166 4.524 0.642 1
1 103 . 12 1 1 A 16 16 CYS CB C 16 32.552 29.327 3.225 1
1 106 . 12 1 1 A 16 16 CYS C C 16 176.113 175.396 0.717 1
1 107 . 12 1 1 A 17 17 GLY N N 17 113.282 109.859 3.423 1
1 108 . 12 1 1 A 17 17 GLY H H 17 8.210 7.470 0.740 1
1 109 . 12 1 1 A 17 17 GLY CA C 17 46.158 44.702 1.456 1
1 110 . 12 1 1 A 17 17 GLY HA2 H 17 4.229 4.076 0.153 1
1 111 . 12 1 1 A 17 17 GLY HA3 H 17 3.869 4.095 -0.226 1
1 112 . 12 1 1 A 17 17 GLY C C 17 174.168 172.204 1.964 1
1 113 . 12 1 1 A 18 18 LYS N N 18 123.728 123.367 0.361 1
1 114 . 12 1 1 A 18 18 LYS H H 18 8.024 8.365 -0.341 1
1 115 . 12 1 1 A 18 18 LYS CA C 18 58.388 55.270 3.118 1
1 116 . 12 1 1 A 18 18 LYS HA H 18 3.899 4.656 -0.757 1
1 117 . 12 1 1 A 18 18 LYS CB C 18 33.570 35.709 -2.139 1
1 129 . 12 1 1 A 18 18 LYS C C 18 173.522 174.308 -0.786 1
1 130 . 12 1 1 A 19 19 ALA N N 19 124.052 123.123 0.929 1
1 131 . 12 1 1 A 19 19 ALA H H 19 7.694 8.376 -0.682 1
1 132 . 12 1 1 A 19 19 ALA CA C 19 50.399 50.022 0.377 1
1 133 . 12 1 1 A 19 19 ALA HA H 19 5.061 5.453 -0.392 1
1 134 . 12 1 1 A 19 19 ALA CB C 19 22.152 23.252 -1.100 1
1 138 . 12 1 1 A 19 19 ALA C C 19 176.089 175.074 1.015 1
1 139 . 12 1 1 A 20 20 PHE N N 20 116.696 116.691 0.005 1
1 140 . 12 1 1 A 20 20 PHE H H 20 8.620 9.078 -0.458 1
1 141 . 12 1 1 A 20 20 PHE CA C 20 57.273 56.602 0.671 1
1 142 . 12 1 1 A 20 20 PHE HA H 20 4.731 4.906 -0.175 1
1 143 . 12 1 1 A 20 20 PHE CB C 20 43.640 43.212 0.428 1
1 156 . 12 1 1 A 20 20 PHE C C 20 174.983 175.625 -0.642 1
1 157 . 12 1 1 A 21 21 THR N N 21 118.634 115.997 2.637 1
1 158 . 12 1 1 A 21 21 THR H H 21 8.744 8.814 -0.070 1
1 159 . 12 1 1 A 21 21 THR CA C 21 66.285 64.213 2.072 1
1 160 . 12 1 1 A 21 21 THR HA H 21 4.059 4.363 -0.304 1
1 161 . 12 1 1 A 21 21 THR CB C 21 69.676 69.135 0.541 1
1 167 . 12 1 1 A 21 21 THR C C 21 173.364 174.746 -1.382 1
1 168 . 12 1 1 A 22 22 PHE N N 22 114.894 117.740 -2.846 1
1 169 . 12 1 1 A 22 22 PHE H H 22 7.843 8.113 -0.270 1
1 170 . 12 1 1 A 22 22 PHE CA C 22 55.721 56.218 -0.497 1
1 171 . 12 1 1 A 22 22 PHE HA H 22 5.181 4.788 0.393 1
1 172 . 12 1 1 A 22 22 PHE CB C 22 42.090 42.207 -0.117 1
1 185 . 12 1 1 A 22 22 PHE C C 22 176.381 175.296 1.085 1
1 186 . 12 1 1 A 23 23 LYS N N 23 127.457 123.254 4.203 1
1 187 . 12 1 1 A 23 23 LYS H H 23 8.657 8.273 0.384 1
1 188 . 12 1 1 A 23 23 LYS CA C 23 59.680 59.603 0.077 1
1 189 . 12 1 1 A 23 23 LYS HA H 23 3.019 3.432 -0.413 1
1 190 . 12 1 1 A 23 23 LYS CB C 23 31.653 32.223 -0.570 1
1 202 . 12 1 1 A 23 23 LYS C C 23 178.376 178.126 0.250 1
1 203 . 12 1 1 A 24 24 SER N N 24 112.175 115.717 -3.542 1
1 204 . 12 1 1 A 24 24 SER H H 24 8.574 8.081 0.493 1
1 205 . 12 1 1 A 24 24 SER CA C 24 60.972 61.890 -0.918 1
1 206 . 12 1 1 A 24 24 SER HA H 24 3.910 4.057 -0.147 1
1 207 . 12 1 1 A 24 24 SER CB C 24 61.493 62.468 -0.975 1
1 210 . 12 1 1 A 24 24 SER C C 24 176.806 176.848 -0.042 1
1 211 . 12 1 1 A 25 25 GLN N N 25 119.551 120.803 -1.252 1
1 212 . 12 1 1 A 25 25 GLN H H 25 6.928 8.275 -1.347 1
1 213 . 12 1 1 A 25 25 GLN CA C 25 57.625 58.659 -1.034 1
1 214 . 12 1 1 A 25 25 GLN HA H 25 3.953 3.917 0.036 1
1 215 . 12 1 1 A 25 25 GLN CB C 25 28.886 28.244 0.642 1
1 224 . 12 1 1 A 25 25 GLN C C 25 178.754 177.860 0.894 1
1 225 . 12 1 1 A 26 26 LEU N N 26 122.090 120.157 1.933 1
1 226 . 12 1 1 A 26 26 LEU H H 26 6.947 7.834 -0.887 1
1 227 . 12 1 1 A 26 26 LEU CA C 26 57.533 57.151 0.382 1
1 228 . 12 1 1 A 26 26 LEU HA H 26 3.309 2.898 0.411 1
1 229 . 12 1 1 A 26 26 LEU CB C 26 40.550 41.716 -1.166 1
1 242 . 12 1 1 A 26 26 LEU C C 26 177.318 178.525 -1.207 1
1 243 . 12 1 1 A 27 27 ILE N N 27 118.535 119.370 -0.835 1
1 244 . 12 1 1 A 27 27 ILE H H 27 7.955 8.034 -0.079 1
1 245 . 12 1 1 A 27 27 ILE CA C 27 64.986 65.241 -0.255 1
1 246 . 12 1 1 A 27 27 ILE HA H 27 3.526 3.566 -0.040 1
1 247 . 12 1 1 A 27 27 ILE CB C 27 37.335 37.493 -0.158 1
1 260 . 12 1 1 A 27 27 ILE C C 27 179.131 178.212 0.919 1
1 261 . 12 1 1 A 28 28 VAL N N 28 118.816 120.842 -2.026 1
1 262 . 12 1 1 A 28 28 VAL H H 28 7.337 7.765 -0.428 1
1 263 . 12 1 1 A 28 28 VAL CA C 28 66.188 66.316 -0.128 1
1 264 . 12 1 1 A 28 28 VAL HA H 28 3.647 3.462 0.185 1
1 265 . 12 1 1 A 28 28 VAL CB C 28 32.100 31.723 0.377 1
1 275 . 12 1 1 A 28 28 VAL C C 28 179.034 177.939 1.095 1
1 276 . 12 1 1 A 29 29 HIS N N 29 120.386 119.096 1.290 1
1 277 . 12 1 1 A 29 29 HIS H H 29 7.693 7.780 -0.087 1
1 278 . 12 1 1 A 29 29 HIS CA C 29 59.203 59.210 -0.007 1
1 279 . 12 1 1 A 29 29 HIS HA H 29 4.191 4.137 0.054 1
1 280 . 12 1 1 A 29 29 HIS CB C 29 28.639 29.905 -1.266 1
1 287 . 12 1 1 A 29 29 HIS C C 29 175.639 177.080 -1.441 1
1 288 . 12 1 1 A 30 30 LYS N N 30 116.039 118.369 -2.330 1
1 289 . 12 1 1 A 30 30 LYS H H 30 8.110 8.311 -0.201 1
1 290 . 12 1 1 A 30 30 LYS CA C 30 59.972 59.158 0.814 1
1 291 . 12 1 1 A 30 30 LYS HA H 30 3.744 4.006 -0.262 1
1 292 . 12 1 1 A 30 30 LYS CB C 30 31.811 32.197 -0.386 1
1 304 . 12 1 1 A 30 30 LYS C C 30 178.535 179.843 -1.308 1
1 305 . 12 1 1 A 31 31 GLY N N 31 105.302 108.126 -2.824 1
1 306 . 12 1 1 A 31 31 GLY H H 31 7.535 8.020 -0.485 1
1 307 . 12 1 1 A 31 31 GLY CA C 31 46.631 47.375 -0.744 1
1 308 . 12 1 1 A 31 31 GLY HA2 H 31 3.896 3.641 0.255 1
1 309 . 12 1 1 A 31 31 GLY HA3 H 31 4.014 3.661 0.353 1
1 310 . 12 1 1 A 31 31 GLY C C 31 175.882 176.109 -0.227 1
1 311 . 12 1 1 A 32 32 VAL N N 32 117.819 120.304 -2.485 1
1 312 . 12 1 1 A 32 32 VAL H H 32 8.006 7.948 0.058 1
1 313 . 12 1 1 A 32 32 VAL CA C 32 63.726 65.644 -1.918 1
1 314 . 12 1 1 A 32 32 VAL HA H 32 3.991 3.723 0.268 1
1 315 . 12 1 1 A 32 32 VAL CB C 32 31.119 31.111 0.008 1
1 325 . 12 1 1 A 32 32 VAL C C 32 177.331 177.778 -0.447 1
1 326 . 12 1 1 A 33 33 HIS N N 33 117.685 119.549 -1.864 1
1 327 . 12 1 1 A 33 33 HIS H H 33 7.293 7.263 0.030 1
1 328 . 12 1 1 A 33 33 HIS CA C 33 55.035 58.488 -3.453 1
1 329 . 12 1 1 A 33 33 HIS HA H 33 4.877 4.471 0.406 1
1 330 . 12 1 1 A 33 33 HIS CB C 33 28.797 31.123 -2.326 1
1 337 . 12 1 1 A 33 33 HIS C C 33 175.408 175.706 -0.298 1
1 338 . 12 1 1 A 34 34 THR N N 34 112.317 111.588 0.729 1
1 339 . 12 1 1 A 34 34 THR H H 34 7.791 7.814 -0.023 1
1 340 . 12 1 1 A 34 34 THR CA C 34 62.359 62.344 0.015 1
1 341 . 12 1 1 A 34 34 THR HA H 34 4.379 4.308 0.071 1
1 342 . 12 1 1 A 34 34 THR CB C 34 69.838 69.479 0.359 1
1 348 . 12 1 1 A 34 34 THR C C 34 175.262 174.260 1.002 1
1 349 . 12 1 1 A 35 35 GLY N N 35 111.103 113.767 -2.664 1
1 350 . 12 1 1 A 35 35 GLY H H 35 8.318 8.463 -0.145 1
1 351 . 12 1 1 A 35 35 GLY CA C 35 45.398 45.533 -0.135 1
1 352 . 12 1 1 A 35 35 GLY HA2 H 35 3.994 4.069 -0.075 1
1 353 . 12 1 1 A 35 35 GLY HA3 H 35 3.994 4.070 -0.076 1
1 354 . 12 1 1 A 35 35 GLY C C 35 173.875 173.924 -0.049 1
1 355 . 12 1 1 A 36 36 VAL N N 36 119.868 119.029 0.839 1
1 356 . 12 1 1 A 36 36 VAL H H 36 7.956 7.817 0.139 1
1 357 . 12 1 1 A 36 36 VAL CA C 36 62.215 59.865 2.350 1
1 358 . 12 1 1 A 36 36 VAL HA H 36 4.087 4.605 -0.518 1
1 359 . 12 1 1 A 36 36 VAL CB C 36 32.793 34.427 -1.634 1
1 369 . 12 1 1 A 36 36 VAL C C 36 176.041 173.216 2.825 1
1 370 . 12 1 1 A 37 37 LYS N N 37 127.378 127.250 0.128 1
1 371 . 12 1 1 A 37 37 LYS H H 37 8.475 8.902 -0.427 1
1 372 . 12 1 1 A 37 37 LYS CA C 37 54.080 52.937 1.143 1
1 373 . 12 1 1 A 37 37 LYS HA H 37 4.624 4.835 -0.211 1
1 374 . 12 1 1 A 37 37 LYS CB C 37 32.545 36.622 -4.077 1
1 385 . 12 1 1 A 37 37 LYS C C 37 174.473 174.229 0.244 1
1 386 . 12 1 1 A 38 38 PRO CA C 38 63.166 62.820 0.346 1
1 387 . 12 1 1 A 38 38 PRO HA H 38 4.465 4.630 -0.165 1
1 388 . 12 1 1 A 38 38 PRO CB C 38 32.220 31.601 0.619 1
1 397 . 12 1 1 A 41 41 PRO CA C 41 63.295 63.913 -0.618 1
1 398 . 12 1 1 A 41 41 PRO HA H 41 4.485 4.489 -0.004 1
1 399 . 12 1 1 A 41 41 PRO CB C 41 32.225 31.894 0.331 1
1 408 . 12 1 1 A 43 43 SER CA C 43 58.583 56.326 2.257 1
1 409 . 12 1 1 A 43 43 SER HA H 43 4.460 4.769 -0.309 1
1 410 . 12 1 1 A 43 43 SER CB C 43 63.880 65.776 -1.896 1
1 413 . 12 1 1 A 43 43 SER C C 43 173.861 174.866 -1.005 1
1 1 . 13 1 1 A 7 7 GLY N N 7 110.455 113.973 -3.518 1
1 2 . 13 1 1 A 7 7 GLY H H 7 8.367 8.553 -0.186 1
1 3 . 13 1 1 A 7 7 GLY CA C 7 45.260 45.567 -0.307 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 3.916 4.012 -0.096 1
1 5 . 13 1 1 A 7 7 GLY HA3 H 7 3.916 4.018 -0.102 1
1 6 . 13 1 1 A 7 7 GLY C C 7 174.007 173.000 1.007 1
1 7 . 13 1 1 A 8 8 GLU N N 8 120.208 120.988 -0.780 1
1 8 . 13 1 1 A 8 8 GLU H H 8 8.176 8.430 -0.254 1
1 9 . 13 1 1 A 8 8 GLU CA C 8 56.854 56.002 0.852 1
1 10 . 13 1 1 A 8 8 GLU HA H 8 4.160 4.509 -0.349 1
1 11 . 13 1 1 A 8 8 GLU CB C 8 30.376 30.616 -0.240 1
1 17 . 13 1 1 A 8 8 GLU C C 8 176.369 176.119 0.250 1
1 18 . 13 1 1 A 9 9 LYS N N 9 121.925 123.568 -1.643 1
1 19 . 13 1 1 A 9 9 LYS H H 9 8.248 8.789 -0.541 1
1 20 . 13 1 1 A 9 9 LYS CA C 9 53.835 52.424 1.411 1
1 21 . 13 1 1 A 9 9 LYS HA H 9 4.472 4.829 -0.357 1
1 22 . 13 1 1 A 9 9 LYS CB C 9 33.228 33.050 0.178 1
1 34 . 13 1 1 A 9 9 LYS C C 9 174.035 176.387 -2.352 1
1 35 . 13 1 1 A 10 10 PRO CA C 10 63.591 63.815 -0.224 1
1 36 . 13 1 1 A 10 10 PRO HA H 10 4.246 4.337 -0.091 1
1 37 . 13 1 1 A 10 10 PRO CB C 10 32.267 31.285 0.982 1
1 46 . 13 1 1 A 10 10 PRO C C 10 176.492 175.607 0.885 1
1 47 . 13 1 1 A 11 11 TYR N N 11 117.866 119.554 -1.688 1
1 48 . 13 1 1 A 11 11 TYR H H 11 7.767 7.131 0.636 1
1 49 . 13 1 1 A 11 11 TYR CA C 11 57.355 56.851 0.504 1
1 50 . 13 1 1 A 11 11 TYR HA H 11 4.731 5.367 -0.636 1
1 51 . 13 1 1 A 11 11 TYR CB C 11 38.877 40.523 -1.646 1
1 62 . 13 1 1 A 11 11 TYR C C 11 174.849 175.079 -0.230 1
1 63 . 13 1 1 A 12 12 SER N N 12 117.933 117.881 0.052 1
1 64 . 13 1 1 A 12 12 SER H H 12 8.645 9.127 -0.482 1
1 65 . 13 1 1 A 12 12 SER CA C 12 57.174 56.392 0.782 1
1 66 . 13 1 1 A 12 12 SER HA H 12 5.270 5.572 -0.302 1
1 67 . 13 1 1 A 12 12 SER CB C 12 65.458 66.004 -0.546 1
1 70 . 13 1 1 A 12 12 SER C C 12 173.243 172.896 0.347 1
1 71 . 13 1 1 A 13 13 CYS N N 13 125.607 121.782 3.825 1
1 72 . 13 1 1 A 13 13 CYS H H 13 9.185 9.317 -0.132 1
1 73 . 13 1 1 A 13 13 CYS CA C 13 59.445 58.104 1.341 1
1 74 . 13 1 1 A 13 13 CYS HA H 13 4.513 4.933 -0.420 1
1 75 . 13 1 1 A 13 13 CYS CB C 13 30.133 29.681 0.452 1
1 78 . 13 1 1 A 13 13 CYS C C 13 176.806 174.604 2.202 1
1 79 . 13 1 1 A 14 14 ASN CA C 14 55.571 54.312 1.259 1
1 80 . 13 1 1 A 14 14 ASN HA H 14 4.532 4.953 -0.421 1
1 81 . 13 1 1 A 14 14 ASN CB C 14 37.747 39.550 -1.803 1
1 87 . 13 1 1 A 14 14 ASN C C 14 175.128 177.207 -2.079 1
1 88 . 13 1 1 A 15 15 GLU N N 15 121.346 118.582 2.764 1
1 89 . 13 1 1 A 15 15 GLU H H 15 8.862 8.289 0.573 1
1 90 . 13 1 1 A 15 15 GLU CA C 15 58.395 59.285 -0.890 1
1 91 . 13 1 1 A 15 15 GLU HA H 15 4.262 3.895 0.367 1
1 92 . 13 1 1 A 15 15 GLU CB C 15 29.692 28.843 0.849 1
1 98 . 13 1 1 A 15 15 GLU C C 15 177.050 178.265 -1.215 1
1 99 . 13 1 1 A 16 16 CYS N N 16 115.108 114.304 0.804 1
1 100 . 13 1 1 A 16 16 CYS H H 16 7.955 6.973 0.982 1
1 101 . 13 1 1 A 16 16 CYS CA C 16 58.406 59.114 -0.708 1
1 102 . 13 1 1 A 16 16 CYS HA H 16 5.166 4.500 0.666 1
1 103 . 13 1 1 A 16 16 CYS CB C 16 32.552 29.397 3.155 1
1 106 . 13 1 1 A 16 16 CYS C C 16 176.113 175.379 0.734 1
1 107 . 13 1 1 A 17 17 GLY N N 17 113.282 109.802 3.480 1
1 108 . 13 1 1 A 17 17 GLY H H 17 8.210 7.474 0.736 1
1 109 . 13 1 1 A 17 17 GLY CA C 17 46.158 44.695 1.463 1
1 110 . 13 1 1 A 17 17 GLY HA2 H 17 4.229 4.072 0.157 1
1 111 . 13 1 1 A 17 17 GLY HA3 H 17 3.869 4.090 -0.221 1
1 112 . 13 1 1 A 17 17 GLY C C 17 174.168 172.204 1.964 1
1 113 . 13 1 1 A 18 18 LYS N N 18 123.728 123.364 0.364 1
1 114 . 13 1 1 A 18 18 LYS H H 18 8.024 8.382 -0.358 1
1 115 . 13 1 1 A 18 18 LYS CA C 18 58.388 55.275 3.113 1
1 116 . 13 1 1 A 18 18 LYS HA H 18 3.899 4.644 -0.745 1
1 117 . 13 1 1 A 18 18 LYS CB C 18 33.570 35.712 -2.142 1
1 129 . 13 1 1 A 18 18 LYS C C 18 173.522 174.279 -0.757 1
1 130 . 13 1 1 A 19 19 ALA N N 19 124.052 123.126 0.926 1
1 131 . 13 1 1 A 19 19 ALA H H 19 7.694 8.387 -0.693 1
1 132 . 13 1 1 A 19 19 ALA CA C 19 50.399 50.063 0.336 1
1 133 . 13 1 1 A 19 19 ALA HA H 19 5.061 5.472 -0.411 1
1 134 . 13 1 1 A 19 19 ALA CB C 19 22.152 23.579 -1.427 1
1 138 . 13 1 1 A 19 19 ALA C C 19 176.089 175.072 1.017 1
1 139 . 13 1 1 A 20 20 PHE N N 20 116.696 116.329 0.367 1
1 140 . 13 1 1 A 20 20 PHE H H 20 8.620 9.133 -0.513 1
1 141 . 13 1 1 A 20 20 PHE CA C 20 57.273 56.640 0.633 1
1 142 . 13 1 1 A 20 20 PHE HA H 20 4.731 4.850 -0.119 1
1 143 . 13 1 1 A 20 20 PHE CB C 20 43.640 42.989 0.651 1
1 156 . 13 1 1 A 20 20 PHE C C 20 174.983 175.648 -0.665 1
1 157 . 13 1 1 A 21 21 THR N N 21 118.634 116.086 2.548 1
1 158 . 13 1 1 A 21 21 THR H H 21 8.744 8.865 -0.121 1
1 159 . 13 1 1 A 21 21 THR CA C 21 66.285 64.560 1.725 1
1 160 . 13 1 1 A 21 21 THR HA H 21 4.059 4.451 -0.392 1
1 161 . 13 1 1 A 21 21 THR CB C 21 69.676 69.522 0.154 1
1 167 . 13 1 1 A 21 21 THR C C 21 173.364 175.164 -1.800 1
1 168 . 13 1 1 A 22 22 PHE N N 22 114.894 117.772 -2.878 1
1 169 . 13 1 1 A 22 22 PHE H H 22 7.843 8.288 -0.445 1
1 170 . 13 1 1 A 22 22 PHE CA C 22 55.721 56.712 -0.991 1
1 171 . 13 1 1 A 22 22 PHE HA H 22 5.181 4.700 0.481 1
1 172 . 13 1 1 A 22 22 PHE CB C 22 42.090 41.551 0.539 1
1 185 . 13 1 1 A 22 22 PHE C C 22 176.381 175.449 0.932 1
1 186 . 13 1 1 A 23 23 LYS N N 23 127.457 123.456 4.001 1
1 187 . 13 1 1 A 23 23 LYS H H 23 8.657 8.199 0.458 1
1 188 . 13 1 1 A 23 23 LYS CA C 23 59.680 59.681 -0.001 1
1 189 . 13 1 1 A 23 23 LYS HA H 23 3.019 3.383 -0.364 1
1 190 . 13 1 1 A 23 23 LYS CB C 23 31.653 32.335 -0.682 1
1 202 . 13 1 1 A 23 23 LYS C C 23 178.376 177.876 0.500 1
1 203 . 13 1 1 A 24 24 SER N N 24 112.175 114.593 -2.418 1
1 204 . 13 1 1 A 24 24 SER H H 24 8.574 8.314 0.260 1
1 205 . 13 1 1 A 24 24 SER CA C 24 60.972 61.554 -0.582 1
1 206 . 13 1 1 A 24 24 SER HA H 24 3.910 4.153 -0.243 1
1 207 . 13 1 1 A 24 24 SER CB C 24 61.493 62.707 -1.214 1
1 210 . 13 1 1 A 24 24 SER C C 24 176.806 177.035 -0.229 1
1 211 . 13 1 1 A 25 25 GLN N N 25 119.551 120.872 -1.321 1
1 212 . 13 1 1 A 25 25 GLN H H 25 6.928 8.256 -1.328 1
1 213 . 13 1 1 A 25 25 GLN CA C 25 57.625 58.818 -1.193 1
1 214 . 13 1 1 A 25 25 GLN HA H 25 3.953 3.882 0.071 1
1 215 . 13 1 1 A 25 25 GLN CB C 25 28.886 28.137 0.749 1
1 224 . 13 1 1 A 25 25 GLN C C 25 178.754 177.952 0.802 1
1 225 . 13 1 1 A 26 26 LEU N N 26 122.090 119.993 2.097 1
1 226 . 13 1 1 A 26 26 LEU H H 26 6.947 7.856 -0.909 1
1 227 . 13 1 1 A 26 26 LEU CA C 26 57.533 57.237 0.296 1
1 228 . 13 1 1 A 26 26 LEU HA H 26 3.309 2.956 0.353 1
1 229 . 13 1 1 A 26 26 LEU CB C 26 40.550 41.739 -1.189 1
1 242 . 13 1 1 A 26 26 LEU C C 26 177.318 178.484 -1.166 1
1 243 . 13 1 1 A 27 27 ILE N N 27 118.535 119.491 -0.956 1
1 244 . 13 1 1 A 27 27 ILE H H 27 7.955 8.038 -0.083 1
1 245 . 13 1 1 A 27 27 ILE CA C 27 64.986 65.291 -0.305 1
1 246 . 13 1 1 A 27 27 ILE HA H 27 3.526 3.561 -0.035 1
1 247 . 13 1 1 A 27 27 ILE CB C 27 37.335 37.646 -0.311 1
1 260 . 13 1 1 A 27 27 ILE C C 27 179.131 178.310 0.821 1
1 261 . 13 1 1 A 28 28 VAL N N 28 118.816 120.465 -1.649 1
1 262 . 13 1 1 A 28 28 VAL H H 28 7.337 7.761 -0.424 1
1 263 . 13 1 1 A 28 28 VAL CA C 28 66.188 66.301 -0.113 1
1 264 . 13 1 1 A 28 28 VAL HA H 28 3.647 3.469 0.178 1
1 265 . 13 1 1 A 28 28 VAL CB C 28 32.100 31.720 0.380 1
1 275 . 13 1 1 A 28 28 VAL C C 28 179.034 177.868 1.166 1
1 276 . 13 1 1 A 29 29 HIS N N 29 120.386 118.865 1.521 1
1 277 . 13 1 1 A 29 29 HIS H H 29 7.693 7.745 -0.052 1
1 278 . 13 1 1 A 29 29 HIS CA C 29 59.203 59.119 0.084 1
1 279 . 13 1 1 A 29 29 HIS HA H 29 4.191 4.150 0.041 1
1 280 . 13 1 1 A 29 29 HIS CB C 29 28.639 29.879 -1.240 1
1 287 . 13 1 1 A 29 29 HIS C C 29 175.639 177.148 -1.509 1
1 288 . 13 1 1 A 30 30 LYS N N 30 116.039 118.303 -2.264 1
1 289 . 13 1 1 A 30 30 LYS H H 30 8.110 8.514 -0.404 1
1 290 . 13 1 1 A 30 30 LYS CA C 30 59.972 59.246 0.726 1
1 291 . 13 1 1 A 30 30 LYS HA H 30 3.744 4.065 -0.321 1
1 292 . 13 1 1 A 30 30 LYS CB C 30 31.811 32.154 -0.343 1
1 304 . 13 1 1 A 30 30 LYS C C 30 178.535 179.805 -1.270 1
1 305 . 13 1 1 A 31 31 GLY N N 31 105.302 108.221 -2.919 1
1 306 . 13 1 1 A 31 31 GLY H H 31 7.535 8.071 -0.536 1
1 307 . 13 1 1 A 31 31 GLY CA C 31 46.631 47.226 -0.595 1
1 308 . 13 1 1 A 31 31 GLY HA2 H 31 3.896 3.701 0.195 1
1 309 . 13 1 1 A 31 31 GLY HA3 H 31 4.014 3.722 0.292 1
1 310 . 13 1 1 A 31 31 GLY C C 31 175.882 176.250 -0.368 1
1 311 . 13 1 1 A 32 32 VAL N N 32 117.819 120.016 -2.197 1
1 312 . 13 1 1 A 32 32 VAL H H 32 8.006 7.841 0.165 1
1 313 . 13 1 1 A 32 32 VAL CA C 32 63.726 65.513 -1.787 1
1 314 . 13 1 1 A 32 32 VAL HA H 32 3.991 3.713 0.278 1
1 315 . 13 1 1 A 32 32 VAL CB C 32 31.119 31.095 0.024 1
1 325 . 13 1 1 A 32 32 VAL C C 32 177.331 177.148 0.183 1
1 326 . 13 1 1 A 33 33 HIS N N 33 117.685 119.563 -1.878 1
1 327 . 13 1 1 A 33 33 HIS H H 33 7.293 7.475 -0.182 1
1 328 . 13 1 1 A 33 33 HIS CA C 33 55.035 57.989 -2.954 1
1 329 . 13 1 1 A 33 33 HIS HA H 33 4.877 4.498 0.379 1
1 330 . 13 1 1 A 33 33 HIS CB C 33 28.797 30.970 -2.173 1
1 337 . 13 1 1 A 33 33 HIS C C 33 175.408 176.373 -0.965 1
1 338 . 13 1 1 A 34 34 THR N N 34 112.317 110.285 2.032 1
1 339 . 13 1 1 A 34 34 THR H H 34 7.791 7.987 -0.196 1
1 340 . 13 1 1 A 34 34 THR CA C 34 62.359 62.469 -0.110 1
1 341 . 13 1 1 A 34 34 THR HA H 34 4.379 4.187 0.192 1
1 342 . 13 1 1 A 34 34 THR CB C 34 69.838 68.137 1.701 1
1 348 . 13 1 1 A 34 34 THR C C 34 175.262 174.789 0.473 1
1 349 . 13 1 1 A 35 35 GLY N N 35 111.103 113.956 -2.853 1
1 350 . 13 1 1 A 35 35 GLY H H 35 8.318 8.328 -0.010 1
1 351 . 13 1 1 A 35 35 GLY CA C 35 45.398 45.798 -0.400 1
1 352 . 13 1 1 A 35 35 GLY HA2 H 35 3.994 4.089 -0.095 1
1 353 . 13 1 1 A 35 35 GLY HA3 H 35 3.994 4.098 -0.104 1
1 354 . 13 1 1 A 35 35 GLY C C 35 173.875 174.241 -0.366 1
1 355 . 13 1 1 A 36 36 VAL N N 36 119.868 121.142 -1.274 1
1 356 . 13 1 1 A 36 36 VAL H H 36 7.956 7.748 0.208 1
1 357 . 13 1 1 A 36 36 VAL CA C 36 62.215 62.577 -0.362 1
1 358 . 13 1 1 A 36 36 VAL HA H 36 4.087 3.991 0.096 1
1 359 . 13 1 1 A 36 36 VAL CB C 36 32.793 31.999 0.794 1
1 369 . 13 1 1 A 36 36 VAL C C 36 176.041 175.207 0.834 1
1 370 . 13 1 1 A 37 37 LYS N N 37 127.378 124.080 3.298 1
1 371 . 13 1 1 A 37 37 LYS H H 37 8.475 9.072 -0.597 1
1 372 . 13 1 1 A 37 37 LYS CA C 37 54.080 53.018 1.062 1
1 373 . 13 1 1 A 37 37 LYS HA H 37 4.624 5.002 -0.378 1
1 374 . 13 1 1 A 37 37 LYS CB C 37 32.545 35.571 -3.026 1
1 385 . 13 1 1 A 37 37 LYS C C 37 174.473 174.826 -0.353 1
1 386 . 13 1 1 A 38 38 PRO CA C 38 63.166 62.306 0.860 1
1 387 . 13 1 1 A 38 38 PRO HA H 38 4.465 4.607 -0.142 1
1 388 . 13 1 1 A 38 38 PRO CB C 38 32.220 33.369 -1.149 1
1 397 . 13 1 1 A 41 41 PRO CA C 41 63.295 62.402 0.893 1
1 398 . 13 1 1 A 41 41 PRO HA H 41 4.485 4.601 -0.116 1
1 399 . 13 1 1 A 41 41 PRO CB C 41 32.225 33.052 -0.827 1
1 408 . 13 1 1 A 43 43 SER CA C 43 58.583 56.613 1.970 1
1 409 . 13 1 1 A 43 43 SER HA H 43 4.460 5.207 -0.747 1
1 410 . 13 1 1 A 43 43 SER CB C 43 63.880 64.442 -0.562 1
1 413 . 13 1 1 A 43 43 SER C C 43 173.861 173.491 0.370 1
1 1 . 14 1 1 A 7 7 GLY N N 7 110.455 106.413 4.042 1
1 2 . 14 1 1 A 7 7 GLY H H 7 8.367 7.836 0.531 1
1 3 . 14 1 1 A 7 7 GLY CA C 7 45.260 44.185 1.075 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 3.916 4.097 -0.181 1
1 5 . 14 1 1 A 7 7 GLY HA3 H 7 3.916 4.101 -0.185 1
1 6 . 14 1 1 A 7 7 GLY C C 7 174.007 172.361 1.646 1
1 7 . 14 1 1 A 8 8 GLU N N 8 120.208 120.025 0.183 1
1 8 . 14 1 1 A 8 8 GLU H H 8 8.176 8.427 -0.251 1
1 9 . 14 1 1 A 8 8 GLU CA C 8 56.854 55.983 0.871 1
1 10 . 14 1 1 A 8 8 GLU HA H 8 4.160 4.551 -0.391 1
1 11 . 14 1 1 A 8 8 GLU CB C 8 30.376 30.882 -0.506 1
1 17 . 14 1 1 A 8 8 GLU C C 8 176.369 175.817 0.552 1
1 18 . 14 1 1 A 9 9 LYS N N 9 121.925 124.006 -2.081 1
1 19 . 14 1 1 A 9 9 LYS H H 9 8.248 8.719 -0.471 1
1 20 . 14 1 1 A 9 9 LYS CA C 9 53.835 52.156 1.679 1
1 21 . 14 1 1 A 9 9 LYS HA H 9 4.472 4.895 -0.423 1
1 22 . 14 1 1 A 9 9 LYS CB C 9 33.228 33.460 -0.232 1
1 34 . 14 1 1 A 9 9 LYS C C 9 174.035 176.039 -2.004 1
1 35 . 14 1 1 A 10 10 PRO CA C 10 63.591 63.805 -0.214 1
1 36 . 14 1 1 A 10 10 PRO HA H 10 4.246 4.333 -0.087 1
1 37 . 14 1 1 A 10 10 PRO CB C 10 32.267 31.272 0.995 1
1 46 . 14 1 1 A 10 10 PRO C C 10 176.492 175.609 0.883 1
1 47 . 14 1 1 A 11 11 TYR N N 11 117.866 119.549 -1.683 1
1 48 . 14 1 1 A 11 11 TYR H H 11 7.767 7.122 0.645 1
1 49 . 14 1 1 A 11 11 TYR CA C 11 57.355 56.651 0.704 1
1 50 . 14 1 1 A 11 11 TYR HA H 11 4.731 5.351 -0.620 1
1 51 . 14 1 1 A 11 11 TYR CB C 11 38.877 40.503 -1.626 1
1 62 . 14 1 1 A 11 11 TYR C C 11 174.849 174.999 -0.150 1
1 63 . 14 1 1 A 12 12 SER N N 12 117.933 120.452 -2.519 1
1 64 . 14 1 1 A 12 12 SER H H 12 8.645 8.917 -0.272 1
1 65 . 14 1 1 A 12 12 SER CA C 12 57.174 57.477 -0.303 1
1 66 . 14 1 1 A 12 12 SER HA H 12 5.270 5.637 -0.367 1
1 67 . 14 1 1 A 12 12 SER CB C 12 65.458 66.369 -0.911 1
1 70 . 14 1 1 A 12 12 SER C C 12 173.243 172.593 0.650 1
1 71 . 14 1 1 A 13 13 CYS N N 13 125.607 123.785 1.822 1
1 72 . 14 1 1 A 13 13 CYS H H 13 9.185 9.430 -0.245 1
1 73 . 14 1 1 A 13 13 CYS CA C 13 59.445 59.240 0.205 1
1 74 . 14 1 1 A 13 13 CYS HA H 13 4.513 4.787 -0.274 1
1 75 . 14 1 1 A 13 13 CYS CB C 13 30.133 29.208 0.925 1
1 78 . 14 1 1 A 13 13 CYS C C 13 176.806 174.579 2.227 1
1 79 . 14 1 1 A 14 14 ASN CA C 14 55.571 54.156 1.415 1
1 80 . 14 1 1 A 14 14 ASN HA H 14 4.532 4.998 -0.466 1
1 81 . 14 1 1 A 14 14 ASN CB C 14 37.747 40.550 -2.803 1
1 87 . 14 1 1 A 14 14 ASN C C 14 175.128 176.623 -1.495 1
1 88 . 14 1 1 A 15 15 GLU N N 15 121.346 120.846 0.500 1
1 89 . 14 1 1 A 15 15 GLU H H 15 8.862 7.870 0.992 1
1 90 . 14 1 1 A 15 15 GLU CA C 15 58.395 58.958 -0.563 1
1 91 . 14 1 1 A 15 15 GLU HA H 15 4.262 3.952 0.310 1
1 92 . 14 1 1 A 15 15 GLU CB C 15 29.692 28.993 0.699 1
1 98 . 14 1 1 A 15 15 GLU C C 15 177.050 178.392 -1.342 1
1 99 . 14 1 1 A 16 16 CYS N N 16 115.108 114.442 0.666 1
1 100 . 14 1 1 A 16 16 CYS H H 16 7.955 7.047 0.908 1
1 101 . 14 1 1 A 16 16 CYS CA C 16 58.406 59.334 -0.928 1
1 102 . 14 1 1 A 16 16 CYS HA H 16 5.166 4.496 0.670 1
1 103 . 14 1 1 A 16 16 CYS CB C 16 32.552 29.341 3.211 1
1 106 . 14 1 1 A 16 16 CYS C C 16 176.113 175.510 0.603 1
1 107 . 14 1 1 A 17 17 GLY N N 17 113.282 110.166 3.116 1
1 108 . 14 1 1 A 17 17 GLY H H 17 8.210 7.572 0.638 1
1 109 . 14 1 1 A 17 17 GLY CA C 17 46.158 44.731 1.427 1
1 110 . 14 1 1 A 17 17 GLY HA2 H 17 4.229 4.074 0.155 1
1 111 . 14 1 1 A 17 17 GLY HA3 H 17 3.869 4.090 -0.221 1
1 112 . 14 1 1 A 17 17 GLY C C 17 174.168 172.565 1.603 1
1 113 . 14 1 1 A 18 18 LYS N N 18 123.728 123.542 0.186 1
1 114 . 14 1 1 A 18 18 LYS H H 18 8.024 8.269 -0.245 1
1 115 . 14 1 1 A 18 18 LYS CA C 18 58.388 55.367 3.021 1
1 116 . 14 1 1 A 18 18 LYS HA H 18 3.899 4.651 -0.752 1
1 117 . 14 1 1 A 18 18 LYS CB C 18 33.570 35.694 -2.124 1
1 129 . 14 1 1 A 18 18 LYS C C 18 173.522 174.262 -0.740 1
1 130 . 14 1 1 A 19 19 ALA N N 19 124.052 123.140 0.912 1
1 131 . 14 1 1 A 19 19 ALA H H 19 7.694 8.414 -0.720 1
1 132 . 14 1 1 A 19 19 ALA CA C 19 50.399 50.034 0.365 1
1 133 . 14 1 1 A 19 19 ALA HA H 19 5.061 5.452 -0.391 1
1 134 . 14 1 1 A 19 19 ALA CB C 19 22.152 23.504 -1.352 1
1 138 . 14 1 1 A 19 19 ALA C C 19 176.089 175.095 0.994 1
1 139 . 14 1 1 A 20 20 PHE N N 20 116.696 116.068 0.628 1
1 140 . 14 1 1 A 20 20 PHE H H 20 8.620 9.115 -0.495 1
1 141 . 14 1 1 A 20 20 PHE CA C 20 57.273 56.622 0.651 1
1 142 . 14 1 1 A 20 20 PHE HA H 20 4.731 4.859 -0.128 1
1 143 . 14 1 1 A 20 20 PHE CB C 20 43.640 43.174 0.466 1
1 156 . 14 1 1 A 20 20 PHE C C 20 174.983 175.651 -0.668 1
1 157 . 14 1 1 A 21 21 THR N N 21 118.634 116.089 2.545 1
1 158 . 14 1 1 A 21 21 THR H H 21 8.744 8.897 -0.153 1
1 159 . 14 1 1 A 21 21 THR CA C 21 66.285 64.336 1.949 1
1 160 . 14 1 1 A 21 21 THR HA H 21 4.059 4.451 -0.392 1
1 161 . 14 1 1 A 21 21 THR CB C 21 69.676 69.409 0.267 1
1 167 . 14 1 1 A 21 21 THR C C 21 173.364 174.934 -1.570 1
1 168 . 14 1 1 A 22 22 PHE N N 22 114.894 117.658 -2.764 1
1 169 . 14 1 1 A 22 22 PHE H H 22 7.843 8.220 -0.377 1
1 170 . 14 1 1 A 22 22 PHE CA C 22 55.721 56.307 -0.586 1
1 171 . 14 1 1 A 22 22 PHE HA H 22 5.181 4.740 0.441 1
1 172 . 14 1 1 A 22 22 PHE CB C 22 42.090 42.211 -0.121 1
1 185 . 14 1 1 A 22 22 PHE C C 22 176.381 175.218 1.163 1
1 186 . 14 1 1 A 23 23 LYS N N 23 127.457 122.870 4.587 1
1 187 . 14 1 1 A 23 23 LYS H H 23 8.657 8.209 0.448 1
1 188 . 14 1 1 A 23 23 LYS CA C 23 59.680 59.644 0.036 1
1 189 . 14 1 1 A 23 23 LYS HA H 23 3.019 3.384 -0.365 1
1 190 . 14 1 1 A 23 23 LYS CB C 23 31.653 32.250 -0.597 1
1 202 . 14 1 1 A 23 23 LYS C C 23 178.376 178.024 0.352 1
1 203 . 14 1 1 A 24 24 SER N N 24 112.175 114.693 -2.518 1
1 204 . 14 1 1 A 24 24 SER H H 24 8.574 8.291 0.283 1
1 205 . 14 1 1 A 24 24 SER CA C 24 60.972 61.422 -0.450 1
1 206 . 14 1 1 A 24 24 SER HA H 24 3.910 4.159 -0.249 1
1 207 . 14 1 1 A 24 24 SER CB C 24 61.493 62.617 -1.124 1
1 210 . 14 1 1 A 24 24 SER C C 24 176.806 176.924 -0.118 1
1 211 . 14 1 1 A 25 25 GLN N N 25 119.551 120.004 -0.453 1
1 212 . 14 1 1 A 25 25 GLN H H 25 6.928 8.314 -1.386 1
1 213 . 14 1 1 A 25 25 GLN CA C 25 57.625 58.699 -1.074 1
1 214 . 14 1 1 A 25 25 GLN HA H 25 3.953 4.001 -0.048 1
1 215 . 14 1 1 A 25 25 GLN CB C 25 28.886 28.440 0.446 1
1 224 . 14 1 1 A 25 25 GLN C C 25 178.754 177.535 1.219 1
1 225 . 14 1 1 A 26 26 LEU N N 26 122.090 120.445 1.645 1
1 226 . 14 1 1 A 26 26 LEU H H 26 6.947 7.783 -0.836 1
1 227 . 14 1 1 A 26 26 LEU CA C 26 57.533 56.983 0.550 1
1 228 . 14 1 1 A 26 26 LEU HA H 26 3.309 2.736 0.573 1
1 229 . 14 1 1 A 26 26 LEU CB C 26 40.550 41.830 -1.280 1
1 242 . 14 1 1 A 26 26 LEU C C 26 177.318 178.421 -1.103 1
1 243 . 14 1 1 A 27 27 ILE N N 27 118.535 119.448 -0.913 1
1 244 . 14 1 1 A 27 27 ILE H H 27 7.955 7.946 0.009 1
1 245 . 14 1 1 A 27 27 ILE CA C 27 64.986 65.257 -0.271 1
1 246 . 14 1 1 A 27 27 ILE HA H 27 3.526 3.534 -0.008 1
1 247 . 14 1 1 A 27 27 ILE CB C 27 37.335 37.642 -0.307 1
1 260 . 14 1 1 A 27 27 ILE C C 27 179.131 178.295 0.836 1
1 261 . 14 1 1 A 28 28 VAL N N 28 118.816 119.858 -1.042 1
1 262 . 14 1 1 A 28 28 VAL H H 28 7.337 7.809 -0.472 1
1 263 . 14 1 1 A 28 28 VAL CA C 28 66.188 66.369 -0.181 1
1 264 . 14 1 1 A 28 28 VAL HA H 28 3.647 3.509 0.138 1
1 265 . 14 1 1 A 28 28 VAL CB C 28 32.100 31.607 0.493 1
1 275 . 14 1 1 A 28 28 VAL C C 28 179.034 177.931 1.103 1
1 276 . 14 1 1 A 29 29 HIS N N 29 120.386 119.111 1.275 1
1 277 . 14 1 1 A 29 29 HIS H H 29 7.693 7.695 -0.002 1
1 278 . 14 1 1 A 29 29 HIS CA C 29 59.203 59.393 -0.190 1
1 279 . 14 1 1 A 29 29 HIS HA H 29 4.191 4.185 0.006 1
1 280 . 14 1 1 A 29 29 HIS CB C 29 28.639 29.820 -1.181 1
1 287 . 14 1 1 A 29 29 HIS C C 29 175.639 177.253 -1.614 1
1 288 . 14 1 1 A 30 30 LYS N N 30 116.039 118.147 -2.108 1
1 289 . 14 1 1 A 30 30 LYS H H 30 8.110 8.391 -0.281 1
1 290 . 14 1 1 A 30 30 LYS CA C 30 59.972 59.142 0.830 1
1 291 . 14 1 1 A 30 30 LYS HA H 30 3.744 3.996 -0.252 1
1 292 . 14 1 1 A 30 30 LYS CB C 30 31.811 32.291 -0.480 1
1 304 . 14 1 1 A 30 30 LYS C C 30 178.535 179.850 -1.315 1
1 305 . 14 1 1 A 31 31 GLY N N 31 105.302 108.186 -2.884 1
1 306 . 14 1 1 A 31 31 GLY H H 31 7.535 7.860 -0.325 1
1 307 . 14 1 1 A 31 31 GLY CA C 31 46.631 47.408 -0.777 1
1 308 . 14 1 1 A 31 31 GLY HA2 H 31 3.896 3.632 0.264 1
1 309 . 14 1 1 A 31 31 GLY HA3 H 31 4.014 3.653 0.361 1
1 310 . 14 1 1 A 31 31 GLY C C 31 175.882 176.064 -0.182 1
1 311 . 14 1 1 A 32 32 VAL N N 32 117.819 120.236 -2.417 1
1 312 . 14 1 1 A 32 32 VAL H H 32 8.006 7.830 0.176 1
1 313 . 14 1 1 A 32 32 VAL CA C 32 63.726 65.444 -1.718 1
1 314 . 14 1 1 A 32 32 VAL HA H 32 3.991 3.722 0.269 1
1 315 . 14 1 1 A 32 32 VAL CB C 32 31.119 31.127 -0.008 1
1 325 . 14 1 1 A 32 32 VAL C C 32 177.331 177.212 0.119 1
1 326 . 14 1 1 A 33 33 HIS N N 33 117.685 118.842 -1.157 1
1 327 . 14 1 1 A 33 33 HIS H H 33 7.293 7.219 0.074 1
1 328 . 14 1 1 A 33 33 HIS CA C 33 55.035 58.440 -3.405 1
1 329 . 14 1 1 A 33 33 HIS HA H 33 4.877 4.468 0.409 1
1 330 . 14 1 1 A 33 33 HIS CB C 33 28.797 31.159 -2.362 1
1 337 . 14 1 1 A 33 33 HIS C C 33 175.408 175.497 -0.089 1
1 338 . 14 1 1 A 34 34 THR N N 34 112.317 111.573 0.744 1
1 339 . 14 1 1 A 34 34 THR H H 34 7.791 7.376 0.415 1
1 340 . 14 1 1 A 34 34 THR CA C 34 62.359 62.159 0.200 1
1 341 . 14 1 1 A 34 34 THR HA H 34 4.379 4.109 0.270 1
1 342 . 14 1 1 A 34 34 THR CB C 34 69.838 69.561 0.277 1
1 348 . 14 1 1 A 34 34 THR C C 34 175.262 174.144 1.118 1
1 349 . 14 1 1 A 35 35 GLY N N 35 111.103 109.692 1.411 1
1 350 . 14 1 1 A 35 35 GLY H H 35 8.318 8.191 0.127 1
1 351 . 14 1 1 A 35 35 GLY CA C 35 45.398 46.243 -0.845 1
1 352 . 14 1 1 A 35 35 GLY HA2 H 35 3.994 4.176 -0.182 1
1 353 . 14 1 1 A 35 35 GLY HA3 H 35 3.994 4.182 -0.188 1
1 354 . 14 1 1 A 35 35 GLY C C 35 173.875 172.385 1.490 1
1 355 . 14 1 1 A 36 36 VAL N N 36 119.868 123.081 -3.213 1
1 356 . 14 1 1 A 36 36 VAL H H 36 7.956 8.293 -0.337 1
1 357 . 14 1 1 A 36 36 VAL CA C 36 62.215 63.244 -1.029 1
1 358 . 14 1 1 A 36 36 VAL HA H 36 4.087 3.943 0.144 1
1 359 . 14 1 1 A 36 36 VAL CB C 36 32.793 32.550 0.243 1
1 369 . 14 1 1 A 36 36 VAL C C 36 176.041 175.524 0.517 1
1 370 . 14 1 1 A 37 37 LYS N N 37 127.378 126.419 0.959 1
1 371 . 14 1 1 A 37 37 LYS H H 37 8.475 8.356 0.119 1
1 372 . 14 1 1 A 37 37 LYS CA C 37 54.080 53.476 0.604 1
1 373 . 14 1 1 A 37 37 LYS HA H 37 4.624 4.941 -0.317 1
1 374 . 14 1 1 A 37 37 LYS CB C 37 32.545 33.137 -0.592 1
1 385 . 14 1 1 A 37 37 LYS C C 37 174.473 173.720 0.753 1
1 386 . 14 1 1 A 38 38 PRO CA C 38 63.166 62.865 0.301 1
1 387 . 14 1 1 A 38 38 PRO HA H 38 4.465 4.489 -0.024 1
1 388 . 14 1 1 A 38 38 PRO CB C 38 32.220 32.023 0.197 1
1 397 . 14 1 1 A 41 41 PRO CA C 41 63.295 62.578 0.717 1
1 398 . 14 1 1 A 41 41 PRO HA H 41 4.485 4.606 -0.121 1
1 399 . 14 1 1 A 41 41 PRO CB C 41 32.225 30.580 1.645 1
1 408 . 14 1 1 A 43 43 SER CA C 43 58.583 59.413 -0.830 1
1 409 . 14 1 1 A 43 43 SER HA H 43 4.460 4.185 0.275 1
1 410 . 14 1 1 A 43 43 SER CB C 43 63.880 61.899 1.981 1
1 413 . 14 1 1 A 43 43 SER C C 43 173.861 174.494 -0.633 1
1 1 . 15 1 1 A 7 7 GLY N N 7 110.455 113.098 -2.643 1
1 2 . 15 1 1 A 7 7 GLY H H 7 8.367 8.241 0.126 1
1 3 . 15 1 1 A 7 7 GLY CA C 7 45.260 45.135 0.125 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 3.916 4.009 -0.093 1
1 5 . 15 1 1 A 7 7 GLY HA3 H 7 3.916 4.009 -0.093 1
1 6 . 15 1 1 A 7 7 GLY C C 7 174.007 173.778 0.229 1
1 7 . 15 1 1 A 8 8 GLU N N 8 120.208 120.328 -0.120 1
1 8 . 15 1 1 A 8 8 GLU H H 8 8.176 8.243 -0.067 1
1 9 . 15 1 1 A 8 8 GLU CA C 8 56.854 55.495 1.359 1
1 10 . 15 1 1 A 8 8 GLU HA H 8 4.160 4.756 -0.596 1
1 11 . 15 1 1 A 8 8 GLU CB C 8 30.376 30.921 -0.545 1
1 17 . 15 1 1 A 8 8 GLU C C 8 176.369 175.528 0.841 1
1 18 . 15 1 1 A 9 9 LYS N N 9 121.925 125.968 -4.043 1
1 19 . 15 1 1 A 9 9 LYS H H 9 8.248 8.630 -0.382 1
1 20 . 15 1 1 A 9 9 LYS CA C 9 53.835 53.637 0.198 1
1 21 . 15 1 1 A 9 9 LYS HA H 9 4.472 4.588 -0.116 1
1 22 . 15 1 1 A 9 9 LYS CB C 9 33.228 32.896 0.332 1
1 34 . 15 1 1 A 9 9 LYS C C 9 174.035 176.630 -2.595 1
1 35 . 15 1 1 A 10 10 PRO CA C 10 63.591 63.825 -0.234 1
1 36 . 15 1 1 A 10 10 PRO HA H 10 4.246 4.342 -0.096 1
1 37 . 15 1 1 A 10 10 PRO CB C 10 32.267 31.267 1.000 1
1 46 . 15 1 1 A 10 10 PRO C C 10 176.492 175.609 0.883 1
1 47 . 15 1 1 A 11 11 TYR N N 11 117.866 119.572 -1.706 1
1 48 . 15 1 1 A 11 11 TYR H H 11 7.767 7.133 0.634 1
1 49 . 15 1 1 A 11 11 TYR CA C 11 57.355 56.820 0.535 1
1 50 . 15 1 1 A 11 11 TYR HA H 11 4.731 5.373 -0.642 1
1 51 . 15 1 1 A 11 11 TYR CB C 11 38.877 40.516 -1.639 1
1 62 . 15 1 1 A 11 11 TYR C C 11 174.849 175.084 -0.235 1
1 63 . 15 1 1 A 12 12 SER N N 12 117.933 117.998 -0.065 1
1 64 . 15 1 1 A 12 12 SER H H 12 8.645 9.126 -0.481 1
1 65 . 15 1 1 A 12 12 SER CA C 12 57.174 56.396 0.778 1
1 66 . 15 1 1 A 12 12 SER HA H 12 5.270 5.593 -0.323 1
1 67 . 15 1 1 A 12 12 SER CB C 12 65.458 65.964 -0.506 1
1 70 . 15 1 1 A 12 12 SER C C 12 173.243 172.864 0.379 1
1 71 . 15 1 1 A 13 13 CYS N N 13 125.607 122.014 3.593 1
1 72 . 15 1 1 A 13 13 CYS H H 13 9.185 9.283 -0.098 1
1 73 . 15 1 1 A 13 13 CYS CA C 13 59.445 58.416 1.029 1
1 74 . 15 1 1 A 13 13 CYS HA H 13 4.513 4.861 -0.348 1
1 75 . 15 1 1 A 13 13 CYS CB C 13 30.133 29.494 0.639 1
1 78 . 15 1 1 A 13 13 CYS C C 13 176.806 175.071 1.735 1
1 79 . 15 1 1 A 14 14 ASN CA C 14 55.571 53.594 1.977 1
1 80 . 15 1 1 A 14 14 ASN HA H 14 4.532 4.932 -0.400 1
1 81 . 15 1 1 A 14 14 ASN CB C 14 37.747 39.622 -1.875 1
1 87 . 15 1 1 A 14 14 ASN C C 14 175.128 176.144 -1.016 1
1 88 . 15 1 1 A 15 15 GLU N N 15 121.346 118.826 2.520 1
1 89 . 15 1 1 A 15 15 GLU H H 15 8.862 7.526 1.336 1
1 90 . 15 1 1 A 15 15 GLU CA C 15 58.395 58.587 -0.192 1
1 91 . 15 1 1 A 15 15 GLU HA H 15 4.262 4.109 0.153 1
1 92 . 15 1 1 A 15 15 GLU CB C 15 29.692 30.015 -0.323 1
1 98 . 15 1 1 A 15 15 GLU C C 15 177.050 178.293 -1.243 1
1 99 . 15 1 1 A 16 16 CYS N N 16 115.108 114.627 0.481 1
1 100 . 15 1 1 A 16 16 CYS H H 16 7.955 7.123 0.832 1
1 101 . 15 1 1 A 16 16 CYS CA C 16 58.406 59.268 -0.862 1
1 102 . 15 1 1 A 16 16 CYS HA H 16 5.166 4.427 0.739 1
1 103 . 15 1 1 A 16 16 CYS CB C 16 32.552 29.298 3.254 1
1 106 . 15 1 1 A 16 16 CYS C C 16 176.113 175.384 0.729 1
1 107 . 15 1 1 A 17 17 GLY N N 17 113.282 110.235 3.047 1
1 108 . 15 1 1 A 17 17 GLY H H 17 8.210 8.017 0.193 1
1 109 . 15 1 1 A 17 17 GLY CA C 17 46.158 44.681 1.477 1
1 110 . 15 1 1 A 17 17 GLY HA2 H 17 4.229 4.070 0.159 1
1 111 . 15 1 1 A 17 17 GLY HA3 H 17 3.869 4.088 -0.219 1
1 112 . 15 1 1 A 17 17 GLY C C 17 174.168 172.678 1.490 1
1 113 . 15 1 1 A 18 18 LYS N N 18 123.728 123.862 -0.134 1
1 114 . 15 1 1 A 18 18 LYS H H 18 8.024 8.213 -0.189 1
1 115 . 15 1 1 A 18 18 LYS CA C 18 58.388 55.331 3.057 1
1 116 . 15 1 1 A 18 18 LYS HA H 18 3.899 4.665 -0.766 1
1 117 . 15 1 1 A 18 18 LYS CB C 18 33.570 35.744 -2.174 1
1 129 . 15 1 1 A 18 18 LYS C C 18 173.522 174.213 -0.691 1
1 130 . 15 1 1 A 19 19 ALA N N 19 124.052 123.474 0.578 1
1 131 . 15 1 1 A 19 19 ALA H H 19 7.694 8.439 -0.745 1
1 132 . 15 1 1 A 19 19 ALA CA C 19 50.399 49.873 0.526 1
1 133 . 15 1 1 A 19 19 ALA HA H 19 5.061 5.570 -0.509 1
1 134 . 15 1 1 A 19 19 ALA CB C 19 22.152 23.394 -1.242 1
1 138 . 15 1 1 A 19 19 ALA C C 19 176.089 175.176 0.913 1
1 139 . 15 1 1 A 20 20 PHE N N 20 116.696 116.336 0.360 1
1 140 . 15 1 1 A 20 20 PHE H H 20 8.620 9.124 -0.504 1
1 141 . 15 1 1 A 20 20 PHE CA C 20 57.273 56.608 0.665 1
1 142 . 15 1 1 A 20 20 PHE HA H 20 4.731 4.869 -0.138 1
1 143 . 15 1 1 A 20 20 PHE CB C 20 43.640 43.285 0.355 1
1 156 . 15 1 1 A 20 20 PHE C C 20 174.983 175.551 -0.568 1
1 157 . 15 1 1 A 21 21 THR N N 21 118.634 116.357 2.277 1
1 158 . 15 1 1 A 21 21 THR H H 21 8.744 8.823 -0.079 1
1 159 . 15 1 1 A 21 21 THR CA C 21 66.285 64.403 1.882 1
1 160 . 15 1 1 A 21 21 THR HA H 21 4.059 4.304 -0.245 1
1 161 . 15 1 1 A 21 21 THR CB C 21 69.676 69.170 0.506 1
1 167 . 15 1 1 A 21 21 THR C C 21 173.364 174.857 -1.493 1
1 168 . 15 1 1 A 22 22 PHE N N 22 114.894 117.773 -2.879 1
1 169 . 15 1 1 A 22 22 PHE H H 22 7.843 8.150 -0.307 1
1 170 . 15 1 1 A 22 22 PHE CA C 22 55.721 56.757 -1.036 1
1 171 . 15 1 1 A 22 22 PHE HA H 22 5.181 4.748 0.433 1
1 172 . 15 1 1 A 22 22 PHE CB C 22 42.090 41.501 0.589 1
1 185 . 15 1 1 A 22 22 PHE C C 22 176.381 175.492 0.889 1
1 186 . 15 1 1 A 23 23 LYS N N 23 127.457 123.752 3.705 1
1 187 . 15 1 1 A 23 23 LYS H H 23 8.657 8.363 0.294 1
1 188 . 15 1 1 A 23 23 LYS CA C 23 59.680 59.522 0.158 1
1 189 . 15 1 1 A 23 23 LYS HA H 23 3.019 3.402 -0.383 1
1 190 . 15 1 1 A 23 23 LYS CB C 23 31.653 32.188 -0.535 1
1 202 . 15 1 1 A 23 23 LYS C C 23 178.376 177.884 0.492 1
1 203 . 15 1 1 A 24 24 SER N N 24 112.175 114.638 -2.463 1
1 204 . 15 1 1 A 24 24 SER H H 24 8.574 8.247 0.327 1
1 205 . 15 1 1 A 24 24 SER CA C 24 60.972 61.602 -0.630 1
1 206 . 15 1 1 A 24 24 SER HA H 24 3.910 4.159 -0.249 1
1 207 . 15 1 1 A 24 24 SER CB C 24 61.493 62.684 -1.191 1
1 210 . 15 1 1 A 24 24 SER C C 24 176.806 177.214 -0.408 1
1 211 . 15 1 1 A 25 25 GLN N N 25 119.551 120.537 -0.986 1
1 212 . 15 1 1 A 25 25 GLN H H 25 6.928 8.374 -1.446 1
1 213 . 15 1 1 A 25 25 GLN CA C 25 57.625 58.711 -1.086 1
1 214 . 15 1 1 A 25 25 GLN HA H 25 3.953 3.995 -0.042 1
1 215 . 15 1 1 A 25 25 GLN CB C 25 28.886 28.190 0.696 1
1 224 . 15 1 1 A 25 25 GLN C C 25 178.754 178.079 0.675 1
1 225 . 15 1 1 A 26 26 LEU N N 26 122.090 120.382 1.708 1
1 226 . 15 1 1 A 26 26 LEU H H 26 6.947 7.863 -0.916 1
1 227 . 15 1 1 A 26 26 LEU CA C 26 57.533 57.310 0.223 1
1 228 . 15 1 1 A 26 26 LEU HA H 26 3.309 2.955 0.354 1
1 229 . 15 1 1 A 26 26 LEU CB C 26 40.550 41.633 -1.083 1
1 242 . 15 1 1 A 26 26 LEU C C 26 177.318 178.445 -1.127 1
1 243 . 15 1 1 A 27 27 ILE N N 27 118.535 119.662 -1.127 1
1 244 . 15 1 1 A 27 27 ILE H H 27 7.955 8.030 -0.075 1
1 245 . 15 1 1 A 27 27 ILE CA C 27 64.986 65.295 -0.309 1
1 246 . 15 1 1 A 27 27 ILE HA H 27 3.526 3.541 -0.015 1
1 247 . 15 1 1 A 27 27 ILE CB C 27 37.335 37.733 -0.398 1
1 260 . 15 1 1 A 27 27 ILE C C 27 179.131 178.335 0.796 1
1 261 . 15 1 1 A 28 28 VAL N N 28 118.816 119.988 -1.172 1
1 262 . 15 1 1 A 28 28 VAL H H 28 7.337 7.723 -0.386 1
1 263 . 15 1 1 A 28 28 VAL CA C 28 66.188 66.241 -0.053 1
1 264 . 15 1 1 A 28 28 VAL HA H 28 3.647 3.473 0.174 1
1 265 . 15 1 1 A 28 28 VAL CB C 28 32.100 31.654 0.446 1
1 275 . 15 1 1 A 28 28 VAL C C 28 179.034 177.976 1.058 1
1 276 . 15 1 1 A 29 29 HIS N N 29 120.386 119.107 1.279 1
1 277 . 15 1 1 A 29 29 HIS H H 29 7.693 7.851 -0.158 1
1 278 . 15 1 1 A 29 29 HIS CA C 29 59.203 58.925 0.278 1
1 279 . 15 1 1 A 29 29 HIS HA H 29 4.191 4.156 0.035 1
1 280 . 15 1 1 A 29 29 HIS CB C 29 28.639 29.774 -1.135 1
1 287 . 15 1 1 A 29 29 HIS C C 29 175.639 177.052 -1.413 1
1 288 . 15 1 1 A 30 30 LYS N N 30 116.039 118.450 -2.411 1
1 289 . 15 1 1 A 30 30 LYS H H 30 8.110 8.330 -0.220 1
1 290 . 15 1 1 A 30 30 LYS CA C 30 59.972 59.152 0.820 1
1 291 . 15 1 1 A 30 30 LYS HA H 30 3.744 4.051 -0.307 1
1 292 . 15 1 1 A 30 30 LYS CB C 30 31.811 32.121 -0.310 1
1 304 . 15 1 1 A 30 30 LYS C C 30 178.535 179.802 -1.267 1
1 305 . 15 1 1 A 31 31 GLY N N 31 105.302 108.192 -2.890 1
1 306 . 15 1 1 A 31 31 GLY H H 31 7.535 8.079 -0.544 1
1 307 . 15 1 1 A 31 31 GLY CA C 31 46.631 47.120 -0.489 1
1 308 . 15 1 1 A 31 31 GLY HA2 H 31 3.896 3.681 0.215 1
1 309 . 15 1 1 A 31 31 GLY HA3 H 31 4.014 3.700 0.314 1
1 310 . 15 1 1 A 31 31 GLY C C 31 175.882 176.270 -0.388 1
1 311 . 15 1 1 A 32 32 VAL N N 32 117.819 119.580 -1.761 1
1 312 . 15 1 1 A 32 32 VAL H H 32 8.006 7.797 0.209 1
1 313 . 15 1 1 A 32 32 VAL CA C 32 63.726 65.500 -1.774 1
1 314 . 15 1 1 A 32 32 VAL HA H 32 3.991 3.688 0.303 1
1 315 . 15 1 1 A 32 32 VAL CB C 32 31.119 31.094 0.025 1
1 325 . 15 1 1 A 32 32 VAL C C 32 177.331 176.952 0.379 1
1 326 . 15 1 1 A 33 33 HIS N N 33 117.685 119.141 -1.456 1
1 327 . 15 1 1 A 33 33 HIS H H 33 7.293 7.491 -0.198 1
1 328 . 15 1 1 A 33 33 HIS CA C 33 55.035 57.717 -2.682 1
1 329 . 15 1 1 A 33 33 HIS HA H 33 4.877 4.488 0.389 1
1 330 . 15 1 1 A 33 33 HIS CB C 33 28.797 31.232 -2.435 1
1 337 . 15 1 1 A 33 33 HIS C C 33 175.408 175.475 -0.067 1
1 338 . 15 1 1 A 34 34 THR N N 34 112.317 111.496 0.821 1
1 339 . 15 1 1 A 34 34 THR H H 34 7.791 7.473 0.318 1
1 340 . 15 1 1 A 34 34 THR CA C 34 62.359 63.071 -0.712 1
1 341 . 15 1 1 A 34 34 THR HA H 34 4.379 4.121 0.258 1
1 342 . 15 1 1 A 34 34 THR CB C 34 69.838 68.585 1.253 1
1 348 . 15 1 1 A 34 34 THR C C 34 175.262 174.501 0.761 1
1 349 . 15 1 1 A 35 35 GLY N N 35 111.103 109.578 1.525 1
1 350 . 15 1 1 A 35 35 GLY H H 35 8.318 8.470 -0.152 1
1 351 . 15 1 1 A 35 35 GLY CA C 35 45.398 45.369 0.029 1
1 352 . 15 1 1 A 35 35 GLY HA2 H 35 3.994 4.158 -0.164 1
1 353 . 15 1 1 A 35 35 GLY HA3 H 35 3.994 4.159 -0.165 1
1 354 . 15 1 1 A 35 35 GLY C C 35 173.875 171.385 2.490 1
1 355 . 15 1 1 A 36 36 VAL N N 36 119.868 118.401 1.467 1
1 356 . 15 1 1 A 36 36 VAL H H 36 7.956 8.457 -0.501 1
1 357 . 15 1 1 A 36 36 VAL CA C 36 62.215 60.297 1.918 1
1 358 . 15 1 1 A 36 36 VAL HA H 36 4.087 4.787 -0.700 1
1 359 . 15 1 1 A 36 36 VAL CB C 36 32.793 34.561 -1.768 1
1 369 . 15 1 1 A 36 36 VAL C C 36 176.041 173.652 2.389 1
1 370 . 15 1 1 A 37 37 LYS N N 37 127.378 127.453 -0.075 1
1 371 . 15 1 1 A 37 37 LYS H H 37 8.475 8.654 -0.179 1
1 372 . 15 1 1 A 37 37 LYS CA C 37 54.080 53.099 0.981 1
1 373 . 15 1 1 A 37 37 LYS HA H 37 4.624 4.613 0.011 1
1 374 . 15 1 1 A 37 37 LYS CB C 37 32.545 36.462 -3.917 1
1 385 . 15 1 1 A 37 37 LYS C C 37 174.473 175.371 -0.898 1
1 386 . 15 1 1 A 38 38 PRO CA C 38 63.166 64.965 -1.799 1
1 387 . 15 1 1 A 38 38 PRO HA H 38 4.465 4.309 0.156 1
1 388 . 15 1 1 A 38 38 PRO CB C 38 32.220 32.168 0.052 1
1 397 . 15 1 1 A 41 41 PRO CA C 41 63.295 62.725 0.570 1
1 398 . 15 1 1 A 41 41 PRO HA H 41 4.485 4.757 -0.272 1
1 399 . 15 1 1 A 41 41 PRO CB C 41 32.225 32.725 -0.500 1
1 408 . 15 1 1 A 43 43 SER CA C 43 58.583 56.417 2.166 1
1 409 . 15 1 1 A 43 43 SER HA H 43 4.460 5.149 -0.689 1
1 410 . 15 1 1 A 43 43 SER CB C 43 63.880 65.728 -1.848 1
1 413 . 15 1 1 A 43 43 SER C C 43 173.861 173.696 0.165 1
1 1 . 16 1 1 A 7 7 GLY N N 7 110.455 110.251 0.204 1
1 2 . 16 1 1 A 7 7 GLY H H 7 8.367 7.882 0.485 1
1 3 . 16 1 1 A 7 7 GLY CA C 7 45.260 44.298 0.962 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 3.916 4.237 -0.321 1
1 5 . 16 1 1 A 7 7 GLY HA3 H 7 3.916 4.238 -0.322 1
1 6 . 16 1 1 A 7 7 GLY C C 7 174.007 171.728 2.279 1
1 7 . 16 1 1 A 8 8 GLU N N 8 120.208 120.459 -0.251 1
1 8 . 16 1 1 A 8 8 GLU H H 8 8.176 8.473 -0.297 1
1 9 . 16 1 1 A 8 8 GLU CA C 8 56.854 56.406 0.448 1
1 10 . 16 1 1 A 8 8 GLU HA H 8 4.160 4.639 -0.479 1
1 11 . 16 1 1 A 8 8 GLU CB C 8 30.376 30.460 -0.084 1
1 17 . 16 1 1 A 8 8 GLU C C 8 176.369 175.846 0.523 1
1 18 . 16 1 1 A 9 9 LYS N N 9 121.925 124.727 -2.802 1
1 19 . 16 1 1 A 9 9 LYS H H 9 8.248 8.297 -0.049 1
1 20 . 16 1 1 A 9 9 LYS CA C 9 53.835 52.435 1.400 1
1 21 . 16 1 1 A 9 9 LYS HA H 9 4.472 4.934 -0.462 1
1 22 . 16 1 1 A 9 9 LYS CB C 9 33.228 33.984 -0.756 1
1 34 . 16 1 1 A 9 9 LYS C C 9 174.035 175.734 -1.699 1
1 35 . 16 1 1 A 10 10 PRO CA C 10 63.591 63.823 -0.232 1
1 36 . 16 1 1 A 10 10 PRO HA H 10 4.246 4.341 -0.095 1
1 37 . 16 1 1 A 10 10 PRO CB C 10 32.267 31.216 1.051 1
1 46 . 16 1 1 A 10 10 PRO C C 10 176.492 175.623 0.869 1
1 47 . 16 1 1 A 11 11 TYR N N 11 117.866 119.536 -1.670 1
1 48 . 16 1 1 A 11 11 TYR H H 11 7.767 7.115 0.652 1
1 49 . 16 1 1 A 11 11 TYR CA C 11 57.355 56.714 0.641 1
1 50 . 16 1 1 A 11 11 TYR HA H 11 4.731 5.298 -0.567 1
1 51 . 16 1 1 A 11 11 TYR CB C 11 38.877 40.615 -1.738 1
1 62 . 16 1 1 A 11 11 TYR C C 11 174.849 174.882 -0.033 1
1 63 . 16 1 1 A 12 12 SER N N 12 117.933 120.534 -2.601 1
1 64 . 16 1 1 A 12 12 SER H H 12 8.645 8.918 -0.273 1
1 65 . 16 1 1 A 12 12 SER CA C 12 57.174 57.460 -0.286 1
1 66 . 16 1 1 A 12 12 SER HA H 12 5.270 5.633 -0.363 1
1 67 . 16 1 1 A 12 12 SER CB C 12 65.458 66.354 -0.896 1
1 70 . 16 1 1 A 12 12 SER C C 12 173.243 172.500 0.743 1
1 71 . 16 1 1 A 13 13 CYS N N 13 125.607 123.303 2.304 1
1 72 . 16 1 1 A 13 13 CYS H H 13 9.185 9.390 -0.205 1
1 73 . 16 1 1 A 13 13 CYS CA C 13 59.445 58.923 0.522 1
1 74 . 16 1 1 A 13 13 CYS HA H 13 4.513 4.822 -0.309 1
1 75 . 16 1 1 A 13 13 CYS CB C 13 30.133 29.175 0.958 1
1 78 . 16 1 1 A 13 13 CYS C C 13 176.806 174.565 2.241 1
1 79 . 16 1 1 A 14 14 ASN CA C 14 55.571 54.196 1.375 1
1 80 . 16 1 1 A 14 14 ASN HA H 14 4.532 5.007 -0.475 1
1 81 . 16 1 1 A 14 14 ASN CB C 14 37.747 40.444 -2.697 1
1 87 . 16 1 1 A 14 14 ASN C C 14 175.128 176.882 -1.754 1
1 88 . 16 1 1 A 15 15 GLU N N 15 121.346 119.684 1.662 1
1 89 . 16 1 1 A 15 15 GLU H H 15 8.862 8.207 0.655 1
1 90 . 16 1 1 A 15 15 GLU CA C 15 58.395 59.197 -0.802 1
1 91 . 16 1 1 A 15 15 GLU HA H 15 4.262 3.946 0.316 1
1 92 . 16 1 1 A 15 15 GLU CB C 15 29.692 28.937 0.755 1
1 98 . 16 1 1 A 15 15 GLU C C 15 177.050 178.322 -1.272 1
1 99 . 16 1 1 A 16 16 CYS N N 16 115.108 114.440 0.668 1
1 100 . 16 1 1 A 16 16 CYS H H 16 7.955 6.971 0.984 1
1 101 . 16 1 1 A 16 16 CYS CA C 16 58.406 59.144 -0.738 1
1 102 . 16 1 1 A 16 16 CYS HA H 16 5.166 4.474 0.692 1
1 103 . 16 1 1 A 16 16 CYS CB C 16 32.552 29.288 3.264 1
1 106 . 16 1 1 A 16 16 CYS C C 16 176.113 175.487 0.626 1
1 107 . 16 1 1 A 17 17 GLY N N 17 113.282 110.152 3.130 1
1 108 . 16 1 1 A 17 17 GLY H H 17 8.210 7.487 0.723 1
1 109 . 16 1 1 A 17 17 GLY CA C 17 46.158 44.696 1.462 1
1 110 . 16 1 1 A 17 17 GLY HA2 H 17 4.229 4.067 0.162 1
1 111 . 16 1 1 A 17 17 GLY HA3 H 17 3.869 4.084 -0.215 1
1 112 . 16 1 1 A 17 17 GLY C C 17 174.168 172.307 1.861 1
1 113 . 16 1 1 A 18 18 LYS N N 18 123.728 123.449 0.279 1
1 114 . 16 1 1 A 18 18 LYS H H 18 8.024 8.359 -0.335 1
1 115 . 16 1 1 A 18 18 LYS CA C 18 58.388 55.265 3.123 1
1 116 . 16 1 1 A 18 18 LYS HA H 18 3.899 4.634 -0.735 1
1 117 . 16 1 1 A 18 18 LYS CB C 18 33.570 35.679 -2.109 1
1 129 . 16 1 1 A 18 18 LYS C C 18 173.522 174.275 -0.753 1
1 130 . 16 1 1 A 19 19 ALA N N 19 124.052 123.109 0.943 1
1 131 . 16 1 1 A 19 19 ALA H H 19 7.694 8.364 -0.670 1
1 132 . 16 1 1 A 19 19 ALA CA C 19 50.399 50.126 0.273 1
1 133 . 16 1 1 A 19 19 ALA HA H 19 5.061 5.413 -0.352 1
1 134 . 16 1 1 A 19 19 ALA CB C 19 22.152 23.587 -1.435 1
1 138 . 16 1 1 A 19 19 ALA C C 19 176.089 175.046 1.043 1
1 139 . 16 1 1 A 20 20 PHE N N 20 116.696 116.553 0.143 1
1 140 . 16 1 1 A 20 20 PHE H H 20 8.620 9.075 -0.455 1
1 141 . 16 1 1 A 20 20 PHE CA C 20 57.273 56.591 0.682 1
1 142 . 16 1 1 A 20 20 PHE HA H 20 4.731 4.871 -0.140 1
1 143 . 16 1 1 A 20 20 PHE CB C 20 43.640 42.972 0.668 1
1 156 . 16 1 1 A 20 20 PHE C C 20 174.983 175.624 -0.641 1
1 157 . 16 1 1 A 21 21 THR N N 21 118.634 116.109 2.525 1
1 158 . 16 1 1 A 21 21 THR H H 21 8.744 8.871 -0.127 1
1 159 . 16 1 1 A 21 21 THR CA C 21 66.285 64.400 1.885 1
1 160 . 16 1 1 A 21 21 THR HA H 21 4.059 4.435 -0.376 1
1 161 . 16 1 1 A 21 21 THR CB C 21 69.676 69.376 0.300 1
1 167 . 16 1 1 A 21 21 THR C C 21 173.364 175.009 -1.645 1
1 168 . 16 1 1 A 22 22 PHE N N 22 114.894 117.847 -2.953 1
1 169 . 16 1 1 A 22 22 PHE H H 22 7.843 8.082 -0.239 1
1 170 . 16 1 1 A 22 22 PHE CA C 22 55.721 57.084 -1.363 1
1 171 . 16 1 1 A 22 22 PHE HA H 22 5.181 4.707 0.474 1
1 172 . 16 1 1 A 22 22 PHE CB C 22 42.090 41.321 0.769 1
1 185 . 16 1 1 A 22 22 PHE C C 22 176.381 175.544 0.837 1
1 186 . 16 1 1 A 23 23 LYS N N 23 127.457 123.046 4.411 1
1 187 . 16 1 1 A 23 23 LYS H H 23 8.657 8.513 0.144 1
1 188 . 16 1 1 A 23 23 LYS CA C 23 59.680 59.502 0.178 1
1 189 . 16 1 1 A 23 23 LYS HA H 23 3.019 3.234 -0.215 1
1 190 . 16 1 1 A 23 23 LYS CB C 23 31.653 32.105 -0.452 1
1 202 . 16 1 1 A 23 23 LYS C C 23 178.376 178.215 0.161 1
1 203 . 16 1 1 A 24 24 SER N N 24 112.175 115.825 -3.650 1
1 204 . 16 1 1 A 24 24 SER H H 24 8.574 8.150 0.424 1
1 205 . 16 1 1 A 24 24 SER CA C 24 60.972 62.033 -1.061 1
1 206 . 16 1 1 A 24 24 SER HA H 24 3.910 4.007 -0.097 1
1 207 . 16 1 1 A 24 24 SER CB C 24 61.493 62.865 -1.372 1
1 210 . 16 1 1 A 24 24 SER C C 24 176.806 176.723 0.083 1
1 211 . 16 1 1 A 25 25 GLN N N 25 119.551 121.077 -1.526 1
1 212 . 16 1 1 A 25 25 GLN H H 25 6.928 8.144 -1.216 1
1 213 . 16 1 1 A 25 25 GLN CA C 25 57.625 58.719 -1.094 1
1 214 . 16 1 1 A 25 25 GLN HA H 25 3.953 3.978 -0.025 1
1 215 . 16 1 1 A 25 25 GLN CB C 25 28.886 28.220 0.666 1
1 224 . 16 1 1 A 25 25 GLN C C 25 178.754 177.827 0.927 1
1 225 . 16 1 1 A 26 26 LEU N N 26 122.090 120.448 1.642 1
1 226 . 16 1 1 A 26 26 LEU H H 26 6.947 7.899 -0.952 1
1 227 . 16 1 1 A 26 26 LEU CA C 26 57.533 57.079 0.454 1
1 228 . 16 1 1 A 26 26 LEU HA H 26 3.309 3.072 0.237 1
1 229 . 16 1 1 A 26 26 LEU CB C 26 40.550 41.589 -1.039 1
1 242 . 16 1 1 A 26 26 LEU C C 26 177.318 178.717 -1.399 1
1 243 . 16 1 1 A 27 27 ILE N N 27 118.535 119.007 -0.472 1
1 244 . 16 1 1 A 27 27 ILE H H 27 7.955 7.795 0.160 1
1 245 . 16 1 1 A 27 27 ILE CA C 27 64.986 64.658 0.328 1
1 246 . 16 1 1 A 27 27 ILE HA H 27 3.526 3.702 -0.176 1
1 247 . 16 1 1 A 27 27 ILE CB C 27 37.335 36.934 0.401 1
1 260 . 16 1 1 A 27 27 ILE C C 27 179.131 178.142 0.989 1
1 261 . 16 1 1 A 28 28 VAL N N 28 118.816 121.131 -2.315 1
1 262 . 16 1 1 A 28 28 VAL H H 28 7.337 7.851 -0.514 1
1 263 . 16 1 1 A 28 28 VAL CA C 28 66.188 66.201 -0.013 1
1 264 . 16 1 1 A 28 28 VAL HA H 28 3.647 3.492 0.155 1
1 265 . 16 1 1 A 28 28 VAL CB C 28 32.100 31.627 0.473 1
1 275 . 16 1 1 A 28 28 VAL C C 28 179.034 178.005 1.029 1
1 276 . 16 1 1 A 29 29 HIS N N 29 120.386 119.158 1.228 1
1 277 . 16 1 1 A 29 29 HIS H H 29 7.693 7.348 0.345 1
1 278 . 16 1 1 A 29 29 HIS CA C 29 59.203 59.219 -0.016 1
1 279 . 16 1 1 A 29 29 HIS HA H 29 4.191 4.255 -0.064 1
1 280 . 16 1 1 A 29 29 HIS CB C 29 28.639 29.923 -1.284 1
1 287 . 16 1 1 A 29 29 HIS C C 29 175.639 177.126 -1.487 1
1 288 . 16 1 1 A 30 30 LYS N N 30 116.039 118.292 -2.253 1
1 289 . 16 1 1 A 30 30 LYS H H 30 8.110 8.302 -0.192 1
1 290 . 16 1 1 A 30 30 LYS CA C 30 59.972 59.237 0.735 1
1 291 . 16 1 1 A 30 30 LYS HA H 30 3.744 4.042 -0.298 1
1 292 . 16 1 1 A 30 30 LYS CB C 30 31.811 32.153 -0.342 1
1 304 . 16 1 1 A 30 30 LYS C C 30 178.535 179.842 -1.307 1
1 305 . 16 1 1 A 31 31 GLY N N 31 105.302 108.041 -2.739 1
1 306 . 16 1 1 A 31 31 GLY H H 31 7.535 8.128 -0.593 1
1 307 . 16 1 1 A 31 31 GLY CA C 31 46.631 46.999 -0.368 1
1 308 . 16 1 1 A 31 31 GLY HA2 H 31 3.896 3.706 0.190 1
1 309 . 16 1 1 A 31 31 GLY HA3 H 31 4.014 3.727 0.287 1
1 310 . 16 1 1 A 31 31 GLY C C 31 175.882 176.246 -0.364 1
1 311 . 16 1 1 A 32 32 VAL N N 32 117.819 119.638 -1.819 1
1 312 . 16 1 1 A 32 32 VAL H H 32 8.006 7.841 0.165 1
1 313 . 16 1 1 A 32 32 VAL CA C 32 63.726 65.645 -1.919 1
1 314 . 16 1 1 A 32 32 VAL HA H 32 3.991 3.693 0.298 1
1 315 . 16 1 1 A 32 32 VAL CB C 32 31.119 31.138 -0.019 1
1 325 . 16 1 1 A 32 32 VAL C C 32 177.331 177.448 -0.117 1
1 326 . 16 1 1 A 33 33 HIS N N 33 117.685 119.188 -1.503 1
1 327 . 16 1 1 A 33 33 HIS H H 33 7.293 7.525 -0.232 1
1 328 . 16 1 1 A 33 33 HIS CA C 33 55.035 58.023 -2.988 1
1 329 . 16 1 1 A 33 33 HIS HA H 33 4.877 4.508 0.369 1
1 330 . 16 1 1 A 33 33 HIS CB C 33 28.797 30.990 -2.193 1
1 337 . 16 1 1 A 33 33 HIS C C 33 175.408 175.664 -0.256 1
1 338 . 16 1 1 A 34 34 THR N N 34 112.317 112.712 -0.395 1
1 339 . 16 1 1 A 34 34 THR H H 34 7.791 7.750 0.041 1
1 340 . 16 1 1 A 34 34 THR CA C 34 62.359 63.771 -1.412 1
1 341 . 16 1 1 A 34 34 THR HA H 34 4.379 3.884 0.495 1
1 342 . 16 1 1 A 34 34 THR CB C 34 69.838 68.724 1.114 1
1 348 . 16 1 1 A 34 34 THR C C 34 175.262 175.816 -0.554 1
1 349 . 16 1 1 A 35 35 GLY N N 35 111.103 115.743 -4.640 1
1 350 . 16 1 1 A 35 35 GLY H H 35 8.318 9.033 -0.715 1
1 351 . 16 1 1 A 35 35 GLY CA C 35 45.398 46.757 -1.359 1
1 352 . 16 1 1 A 35 35 GLY HA2 H 35 3.994 3.846 0.148 1
1 353 . 16 1 1 A 35 35 GLY HA3 H 35 3.994 3.852 0.142 1
1 354 . 16 1 1 A 35 35 GLY C C 35 173.875 173.945 -0.070 1
1 355 . 16 1 1 A 36 36 VAL N N 36 119.868 119.372 0.496 1
1 356 . 16 1 1 A 36 36 VAL H H 36 7.956 7.724 0.232 1
1 357 . 16 1 1 A 36 36 VAL CA C 36 62.215 61.153 1.062 1
1 358 . 16 1 1 A 36 36 VAL HA H 36 4.087 4.530 -0.443 1
1 359 . 16 1 1 A 36 36 VAL CB C 36 32.793 34.876 -2.083 1
1 369 . 16 1 1 A 36 36 VAL C C 36 176.041 174.256 1.785 1
1 370 . 16 1 1 A 37 37 LYS N N 37 127.378 125.775 1.603 1
1 371 . 16 1 1 A 37 37 LYS H H 37 8.475 8.838 -0.363 1
1 372 . 16 1 1 A 37 37 LYS CA C 37 54.080 53.639 0.441 1
1 373 . 16 1 1 A 37 37 LYS HA H 37 4.624 4.974 -0.350 1
1 374 . 16 1 1 A 37 37 LYS CB C 37 32.545 32.980 -0.435 1
1 385 . 16 1 1 A 37 37 LYS C C 37 174.473 175.100 -0.627 1
1 386 . 16 1 1 A 38 38 PRO CA C 38 63.166 62.373 0.793 1
1 387 . 16 1 1 A 38 38 PRO HA H 38 4.465 4.656 -0.191 1
1 388 . 16 1 1 A 38 38 PRO CB C 38 32.220 32.941 -0.721 1
1 397 . 16 1 1 A 41 41 PRO CA C 41 63.295 62.834 0.461 1
1 398 . 16 1 1 A 41 41 PRO HA H 41 4.485 4.669 -0.184 1
1 399 . 16 1 1 A 41 41 PRO CB C 41 32.225 31.418 0.807 1
1 408 . 16 1 1 A 43 43 SER CA C 43 58.583 59.067 -0.484 1
1 409 . 16 1 1 A 43 43 SER HA H 43 4.460 4.114 0.346 1
1 410 . 16 1 1 A 43 43 SER CB C 43 63.880 61.403 2.477 1
1 413 . 16 1 1 A 43 43 SER C C 43 173.861 174.663 -0.802 1
1 1 . 17 1 1 A 7 7 GLY N N 7 110.455 107.994 2.461 1
1 2 . 17 1 1 A 7 7 GLY H H 7 8.367 7.860 0.507 1
1 3 . 17 1 1 A 7 7 GLY CA C 7 45.260 44.766 0.494 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 3.916 3.987 -0.071 1
1 5 . 17 1 1 A 7 7 GLY HA3 H 7 3.916 3.989 -0.073 1
1 6 . 17 1 1 A 7 7 GLY C C 7 174.007 172.873 1.134 1
1 7 . 17 1 1 A 8 8 GLU N N 8 120.208 119.354 0.854 1
1 8 . 17 1 1 A 8 8 GLU H H 8 8.176 8.473 -0.297 1
1 9 . 17 1 1 A 8 8 GLU CA C 8 56.854 54.835 2.019 1
1 10 . 17 1 1 A 8 8 GLU HA H 8 4.160 5.008 -0.848 1
1 11 . 17 1 1 A 8 8 GLU CB C 8 30.376 32.948 -2.572 1
1 17 . 17 1 1 A 8 8 GLU C C 8 176.369 175.555 0.814 1
1 18 . 17 1 1 A 9 9 LYS N N 9 121.925 123.535 -1.610 1
1 19 . 17 1 1 A 9 9 LYS H H 9 8.248 8.764 -0.516 1
1 20 . 17 1 1 A 9 9 LYS CA C 9 53.835 52.313 1.522 1
1 21 . 17 1 1 A 9 9 LYS HA H 9 4.472 4.877 -0.405 1
1 22 . 17 1 1 A 9 9 LYS CB C 9 33.228 33.158 0.070 1
1 34 . 17 1 1 A 9 9 LYS C C 9 174.035 176.352 -2.317 1
1 35 . 17 1 1 A 10 10 PRO CA C 10 63.591 63.783 -0.192 1
1 36 . 17 1 1 A 10 10 PRO HA H 10 4.246 4.318 -0.072 1
1 37 . 17 1 1 A 10 10 PRO CB C 10 32.267 31.253 1.014 1
1 46 . 17 1 1 A 10 10 PRO C C 10 176.492 175.593 0.899 1
1 47 . 17 1 1 A 11 11 TYR N N 11 117.866 119.525 -1.659 1
1 48 . 17 1 1 A 11 11 TYR H H 11 7.767 7.070 0.697 1
1 49 . 17 1 1 A 11 11 TYR CA C 11 57.355 56.679 0.676 1
1 50 . 17 1 1 A 11 11 TYR HA H 11 4.731 5.269 -0.538 1
1 51 . 17 1 1 A 11 11 TYR CB C 11 38.877 40.610 -1.733 1
1 62 . 17 1 1 A 11 11 TYR C C 11 174.849 174.810 0.039 1
1 63 . 17 1 1 A 12 12 SER N N 12 117.933 120.178 -2.245 1
1 64 . 17 1 1 A 12 12 SER H H 12 8.645 8.930 -0.285 1
1 65 . 17 1 1 A 12 12 SER CA C 12 57.174 57.412 -0.238 1
1 66 . 17 1 1 A 12 12 SER HA H 12 5.270 5.688 -0.418 1
1 67 . 17 1 1 A 12 12 SER CB C 12 65.458 66.206 -0.748 1
1 70 . 17 1 1 A 12 12 SER C C 12 173.243 172.526 0.717 1
1 71 . 17 1 1 A 13 13 CYS N N 13 125.607 123.367 2.240 1
1 72 . 17 1 1 A 13 13 CYS H H 13 9.185 9.440 -0.255 1
1 73 . 17 1 1 A 13 13 CYS CA C 13 59.445 58.961 0.484 1
1 74 . 17 1 1 A 13 13 CYS HA H 13 4.513 4.728 -0.215 1
1 75 . 17 1 1 A 13 13 CYS CB C 13 30.133 29.146 0.987 1
1 78 . 17 1 1 A 13 13 CYS C C 13 176.806 174.559 2.247 1
1 79 . 17 1 1 A 14 14 ASN CA C 14 55.571 54.203 1.368 1
1 80 . 17 1 1 A 14 14 ASN HA H 14 4.532 5.009 -0.477 1
1 81 . 17 1 1 A 14 14 ASN CB C 14 37.747 40.550 -2.803 1
1 87 . 17 1 1 A 14 14 ASN C C 14 175.128 176.806 -1.678 1
1 88 . 17 1 1 A 15 15 GLU N N 15 121.346 119.928 1.418 1
1 89 . 17 1 1 A 15 15 GLU H H 15 8.862 8.178 0.684 1
1 90 . 17 1 1 A 15 15 GLU CA C 15 58.395 59.136 -0.741 1
1 91 . 17 1 1 A 15 15 GLU HA H 15 4.262 3.906 0.356 1
1 92 . 17 1 1 A 15 15 GLU CB C 15 29.692 28.758 0.934 1
1 98 . 17 1 1 A 15 15 GLU C C 15 177.050 178.356 -1.306 1
1 99 . 17 1 1 A 16 16 CYS N N 16 115.108 114.495 0.613 1
1 100 . 17 1 1 A 16 16 CYS H H 16 7.955 7.045 0.910 1
1 101 . 17 1 1 A 16 16 CYS CA C 16 58.406 59.364 -0.958 1
1 102 . 17 1 1 A 16 16 CYS HA H 16 5.166 4.513 0.653 1
1 103 . 17 1 1 A 16 16 CYS CB C 16 32.552 29.427 3.125 1
1 106 . 17 1 1 A 16 16 CYS C C 16 176.113 175.466 0.647 1
1 107 . 17 1 1 A 17 17 GLY N N 17 113.282 109.819 3.463 1
1 108 . 17 1 1 A 17 17 GLY H H 17 8.210 7.517 0.693 1
1 109 . 17 1 1 A 17 17 GLY CA C 17 46.158 44.664 1.494 1
1 110 . 17 1 1 A 17 17 GLY HA2 H 17 4.229 4.068 0.161 1
1 111 . 17 1 1 A 17 17 GLY HA3 H 17 3.869 4.084 -0.215 1
1 112 . 17 1 1 A 17 17 GLY C C 17 174.168 172.251 1.917 1
1 113 . 17 1 1 A 18 18 LYS N N 18 123.728 123.658 0.070 1
1 114 . 17 1 1 A 18 18 LYS H H 18 8.024 8.363 -0.339 1
1 115 . 17 1 1 A 18 18 LYS CA C 18 58.388 55.281 3.107 1
1 116 . 17 1 1 A 18 18 LYS HA H 18 3.899 4.634 -0.735 1
1 117 . 17 1 1 A 18 18 LYS CB C 18 33.570 35.651 -2.081 1
1 129 . 17 1 1 A 18 18 LYS C C 18 173.522 174.081 -0.559 1
1 130 . 17 1 1 A 19 19 ALA N N 19 124.052 123.405 0.647 1
1 131 . 17 1 1 A 19 19 ALA H H 19 7.694 8.387 -0.693 1
1 132 . 17 1 1 A 19 19 ALA CA C 19 50.399 49.867 0.532 1
1 133 . 17 1 1 A 19 19 ALA HA H 19 5.061 5.518 -0.457 1
1 134 . 17 1 1 A 19 19 ALA CB C 19 22.152 23.381 -1.229 1
1 138 . 17 1 1 A 19 19 ALA C C 19 176.089 175.062 1.027 1
1 139 . 17 1 1 A 20 20 PHE N N 20 116.696 116.598 0.098 1
1 140 . 17 1 1 A 20 20 PHE H H 20 8.620 9.059 -0.439 1
1 141 . 17 1 1 A 20 20 PHE CA C 20 57.273 56.647 0.626 1
1 142 . 17 1 1 A 20 20 PHE HA H 20 4.731 4.841 -0.110 1
1 143 . 17 1 1 A 20 20 PHE CB C 20 43.640 42.977 0.663 1
1 156 . 17 1 1 A 20 20 PHE C C 20 174.983 175.637 -0.654 1
1 157 . 17 1 1 A 21 21 THR N N 21 118.634 116.005 2.629 1
1 158 . 17 1 1 A 21 21 THR H H 21 8.744 8.850 -0.106 1
1 159 . 17 1 1 A 21 21 THR CA C 21 66.285 63.833 2.452 1
1 160 . 17 1 1 A 21 21 THR HA H 21 4.059 4.386 -0.327 1
1 161 . 17 1 1 A 21 21 THR CB C 21 69.676 69.323 0.353 1
1 167 . 17 1 1 A 21 21 THR C C 21 173.364 174.757 -1.393 1
1 168 . 17 1 1 A 22 22 PHE N N 22 114.894 117.463 -2.569 1
1 169 . 17 1 1 A 22 22 PHE H H 22 7.843 8.112 -0.269 1
1 170 . 17 1 1 A 22 22 PHE CA C 22 55.721 56.122 -0.401 1
1 171 . 17 1 1 A 22 22 PHE HA H 22 5.181 4.760 0.421 1
1 172 . 17 1 1 A 22 22 PHE CB C 22 42.090 41.971 0.119 1
1 185 . 17 1 1 A 22 22 PHE C C 22 176.381 175.386 0.995 1
1 186 . 17 1 1 A 23 23 LYS N N 23 127.457 123.944 3.513 1
1 187 . 17 1 1 A 23 23 LYS H H 23 8.657 8.354 0.303 1
1 188 . 17 1 1 A 23 23 LYS CA C 23 59.680 59.888 -0.208 1
1 189 . 17 1 1 A 23 23 LYS HA H 23 3.019 3.439 -0.420 1
1 190 . 17 1 1 A 23 23 LYS CB C 23 31.653 32.270 -0.617 1
1 202 . 17 1 1 A 23 23 LYS C C 23 178.376 177.843 0.533 1
1 203 . 17 1 1 A 24 24 SER N N 24 112.175 114.003 -1.828 1
1 204 . 17 1 1 A 24 24 SER H H 24 8.574 8.323 0.251 1
1 205 . 17 1 1 A 24 24 SER CA C 24 60.972 61.330 -0.358 1
1 206 . 17 1 1 A 24 24 SER HA H 24 3.910 4.165 -0.255 1
1 207 . 17 1 1 A 24 24 SER CB C 24 61.493 62.689 -1.196 1
1 210 . 17 1 1 A 24 24 SER C C 24 176.806 176.995 -0.189 1
1 211 . 17 1 1 A 25 25 GLN N N 25 119.551 119.887 -0.336 1
1 212 . 17 1 1 A 25 25 GLN H H 25 6.928 8.315 -1.387 1
1 213 . 17 1 1 A 25 25 GLN CA C 25 57.625 59.017 -1.392 1
1 214 . 17 1 1 A 25 25 GLN HA H 25 3.953 3.927 0.026 1
1 215 . 17 1 1 A 25 25 GLN CB C 25 28.886 28.428 0.458 1
1 224 . 17 1 1 A 25 25 GLN C C 25 178.754 178.074 0.680 1
1 225 . 17 1 1 A 26 26 LEU N N 26 122.090 120.068 2.022 1
1 226 . 17 1 1 A 26 26 LEU H H 26 6.947 7.846 -0.899 1
1 227 . 17 1 1 A 26 26 LEU CA C 26 57.533 56.719 0.814 1
1 228 . 17 1 1 A 26 26 LEU HA H 26 3.309 2.631 0.678 1
1 229 . 17 1 1 A 26 26 LEU CB C 26 40.550 41.127 -0.577 1
1 242 . 17 1 1 A 26 26 LEU C C 26 177.318 178.663 -1.345 1
1 243 . 17 1 1 A 27 27 ILE N N 27 118.535 119.097 -0.562 1
1 244 . 17 1 1 A 27 27 ILE H H 27 7.955 8.073 -0.118 1
1 245 . 17 1 1 A 27 27 ILE CA C 27 64.986 65.117 -0.131 1
1 246 . 17 1 1 A 27 27 ILE HA H 27 3.526 3.599 -0.073 1
1 247 . 17 1 1 A 27 27 ILE CB C 27 37.335 37.545 -0.210 1
1 260 . 17 1 1 A 27 27 ILE C C 27 179.131 177.932 1.199 1
1 261 . 17 1 1 A 28 28 VAL N N 28 118.816 120.067 -1.251 1
1 262 . 17 1 1 A 28 28 VAL H H 28 7.337 7.810 -0.473 1
1 263 . 17 1 1 A 28 28 VAL CA C 28 66.188 66.216 -0.028 1
1 264 . 17 1 1 A 28 28 VAL HA H 28 3.647 3.610 0.037 1
1 265 . 17 1 1 A 28 28 VAL CB C 28 32.100 31.434 0.666 1
1 275 . 17 1 1 A 28 28 VAL C C 28 179.034 178.029 1.005 1
1 276 . 17 1 1 A 29 29 HIS N N 29 120.386 119.031 1.355 1
1 277 . 17 1 1 A 29 29 HIS H H 29 7.693 7.405 0.288 1
1 278 . 17 1 1 A 29 29 HIS CA C 29 59.203 59.393 -0.190 1
1 279 . 17 1 1 A 29 29 HIS HA H 29 4.191 4.254 -0.063 1
1 280 . 17 1 1 A 29 29 HIS CB C 29 28.639 29.704 -1.065 1
1 287 . 17 1 1 A 29 29 HIS C C 29 175.639 177.225 -1.586 1
1 288 . 17 1 1 A 30 30 LYS N N 30 116.039 118.054 -2.015 1
1 289 . 17 1 1 A 30 30 LYS H H 30 8.110 8.374 -0.264 1
1 290 . 17 1 1 A 30 30 LYS CA C 30 59.972 59.189 0.783 1
1 291 . 17 1 1 A 30 30 LYS HA H 30 3.744 4.062 -0.318 1
1 292 . 17 1 1 A 30 30 LYS CB C 30 31.811 32.349 -0.538 1
1 304 . 17 1 1 A 30 30 LYS C C 30 178.535 179.894 -1.359 1
1 305 . 17 1 1 A 31 31 GLY N N 31 105.302 108.054 -2.752 1
1 306 . 17 1 1 A 31 31 GLY H H 31 7.535 7.873 -0.338 1
1 307 . 17 1 1 A 31 31 GLY CA C 31 46.631 47.399 -0.768 1
1 308 . 17 1 1 A 31 31 GLY HA2 H 31 3.896 3.610 0.286 1
1 309 . 17 1 1 A 31 31 GLY HA3 H 31 4.014 3.632 0.382 1
1 310 . 17 1 1 A 31 31 GLY C C 31 175.882 176.060 -0.178 1
1 311 . 17 1 1 A 32 32 VAL N N 32 117.819 120.190 -2.371 1
1 312 . 17 1 1 A 32 32 VAL H H 32 8.006 7.545 0.461 1
1 313 . 17 1 1 A 32 32 VAL CA C 32 63.726 65.540 -1.814 1
1 314 . 17 1 1 A 32 32 VAL HA H 32 3.991 3.722 0.269 1
1 315 . 17 1 1 A 32 32 VAL CB C 32 31.119 31.087 0.032 1
1 325 . 17 1 1 A 32 32 VAL C C 32 177.331 177.833 -0.502 1
1 326 . 17 1 1 A 33 33 HIS N N 33 117.685 119.750 -2.065 1
1 327 . 17 1 1 A 33 33 HIS H H 33 7.293 6.938 0.355 1
1 328 . 17 1 1 A 33 33 HIS CA C 33 55.035 58.655 -3.620 1
1 329 . 17 1 1 A 33 33 HIS HA H 33 4.877 4.459 0.418 1
1 330 . 17 1 1 A 33 33 HIS CB C 33 28.797 30.679 -1.882 1
1 337 . 17 1 1 A 33 33 HIS C C 33 175.408 176.392 -0.984 1
1 338 . 17 1 1 A 34 34 THR N N 34 112.317 110.813 1.504 1
1 339 . 17 1 1 A 34 34 THR H H 34 7.791 7.815 -0.024 1
1 340 . 17 1 1 A 34 34 THR CA C 34 62.359 61.388 0.971 1
1 341 . 17 1 1 A 34 34 THR HA H 34 4.379 4.315 0.064 1
1 342 . 17 1 1 A 34 34 THR CB C 34 69.838 68.127 1.711 1
1 348 . 17 1 1 A 34 34 THR C C 34 175.262 173.585 1.677 1
1 349 . 17 1 1 A 35 35 GLY N N 35 111.103 114.612 -3.509 1
1 350 . 17 1 1 A 35 35 GLY H H 35 8.318 8.104 0.214 1
1 351 . 17 1 1 A 35 35 GLY CA C 35 45.398 45.688 -0.290 1
1 352 . 17 1 1 A 35 35 GLY HA2 H 35 3.994 4.106 -0.112 1
1 353 . 17 1 1 A 35 35 GLY HA3 H 35 3.994 4.111 -0.117 1
1 354 . 17 1 1 A 35 35 GLY C C 35 173.875 172.796 1.079 1
1 355 . 17 1 1 A 36 36 VAL N N 36 119.868 122.688 -2.820 1
1 356 . 17 1 1 A 36 36 VAL H H 36 7.956 8.401 -0.445 1
1 357 . 17 1 1 A 36 36 VAL CA C 36 62.215 61.913 0.302 1
1 358 . 17 1 1 A 36 36 VAL HA H 36 4.087 4.136 -0.049 1
1 359 . 17 1 1 A 36 36 VAL CB C 36 32.793 29.509 3.284 1
1 369 . 17 1 1 A 36 36 VAL C C 36 176.041 174.610 1.431 1
1 370 . 17 1 1 A 37 37 LYS N N 37 127.378 126.667 0.711 1
1 371 . 17 1 1 A 37 37 LYS H H 37 8.475 7.868 0.607 1
1 372 . 17 1 1 A 37 37 LYS CA C 37 54.080 52.613 1.467 1
1 373 . 17 1 1 A 37 37 LYS HA H 37 4.624 4.812 -0.188 1
1 374 . 17 1 1 A 37 37 LYS CB C 37 32.545 36.250 -3.705 1
1 385 . 17 1 1 A 37 37 LYS C C 37 174.473 175.669 -1.196 1
1 386 . 17 1 1 A 38 38 PRO CA C 38 63.166 64.988 -1.822 1
1 387 . 17 1 1 A 38 38 PRO HA H 38 4.465 4.356 0.109 1
1 388 . 17 1 1 A 38 38 PRO CB C 38 32.220 32.250 -0.030 1
1 397 . 17 1 1 A 41 41 PRO CA C 41 63.295 62.438 0.857 1
1 398 . 17 1 1 A 41 41 PRO HA H 41 4.485 4.547 -0.062 1
1 399 . 17 1 1 A 41 41 PRO CB C 41 32.225 32.928 -0.703 1
1 408 . 17 1 1 A 43 43 SER CA C 43 58.583 57.808 0.775 1
1 409 . 17 1 1 A 43 43 SER HA H 43 4.460 4.731 -0.271 1
1 410 . 17 1 1 A 43 43 SER CB C 43 63.880 64.202 -0.322 1
1 413 . 17 1 1 A 43 43 SER C C 43 173.861 175.686 -1.825 1
1 1 . 18 1 1 A 7 7 GLY N N 7 110.455 106.136 4.319 1
1 2 . 18 1 1 A 7 7 GLY H H 7 8.367 7.959 0.408 1
1 3 . 18 1 1 A 7 7 GLY CA C 7 45.260 44.474 0.786 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 3.916 4.056 -0.140 1
1 5 . 18 1 1 A 7 7 GLY HA3 H 7 3.916 4.061 -0.145 1
1 6 . 18 1 1 A 7 7 GLY C C 7 174.007 172.639 1.368 1
1 7 . 18 1 1 A 8 8 GLU N N 8 120.208 120.245 -0.037 1
1 8 . 18 1 1 A 8 8 GLU H H 8 8.176 8.455 -0.279 1
1 9 . 18 1 1 A 8 8 GLU CA C 8 56.854 54.846 2.008 1
1 10 . 18 1 1 A 8 8 GLU HA H 8 4.160 4.941 -0.781 1
1 11 . 18 1 1 A 8 8 GLU CB C 8 30.376 32.895 -2.519 1
1 17 . 18 1 1 A 8 8 GLU C C 8 176.369 175.288 1.081 1
1 18 . 18 1 1 A 9 9 LYS N N 9 121.925 123.801 -1.876 1
1 19 . 18 1 1 A 9 9 LYS H H 9 8.248 8.592 -0.344 1
1 20 . 18 1 1 A 9 9 LYS CA C 9 53.835 52.408 1.427 1
1 21 . 18 1 1 A 9 9 LYS HA H 9 4.472 4.908 -0.436 1
1 22 . 18 1 1 A 9 9 LYS CB C 9 33.228 33.880 -0.652 1
1 34 . 18 1 1 A 9 9 LYS C C 9 174.035 175.814 -1.779 1
1 35 . 18 1 1 A 10 10 PRO CA C 10 63.591 63.803 -0.212 1
1 36 . 18 1 1 A 10 10 PRO HA H 10 4.246 4.338 -0.092 1
1 37 . 18 1 1 A 10 10 PRO CB C 10 32.267 31.212 1.055 1
1 46 . 18 1 1 A 10 10 PRO C C 10 176.492 175.609 0.883 1
1 47 . 18 1 1 A 11 11 TYR N N 11 117.866 119.542 -1.676 1
1 48 . 18 1 1 A 11 11 TYR H H 11 7.767 7.529 0.238 1
1 49 . 18 1 1 A 11 11 TYR CA C 11 57.355 56.684 0.671 1
1 50 . 18 1 1 A 11 11 TYR HA H 11 4.731 5.361 -0.630 1
1 51 . 18 1 1 A 11 11 TYR CB C 11 38.877 40.788 -1.911 1
1 62 . 18 1 1 A 11 11 TYR C C 11 174.849 174.806 0.043 1
1 63 . 18 1 1 A 12 12 SER N N 12 117.933 120.895 -2.962 1
1 64 . 18 1 1 A 12 12 SER H H 12 8.645 8.993 -0.348 1
1 65 . 18 1 1 A 12 12 SER CA C 12 57.174 57.481 -0.307 1
1 66 . 18 1 1 A 12 12 SER HA H 12 5.270 5.540 -0.270 1
1 67 . 18 1 1 A 12 12 SER CB C 12 65.458 66.322 -0.864 1
1 70 . 18 1 1 A 12 12 SER C C 12 173.243 172.676 0.567 1
1 71 . 18 1 1 A 13 13 CYS N N 13 125.607 124.705 0.902 1
1 72 . 18 1 1 A 13 13 CYS H H 13 9.185 9.489 -0.304 1
1 73 . 18 1 1 A 13 13 CYS CA C 13 59.445 59.361 0.084 1
1 74 . 18 1 1 A 13 13 CYS HA H 13 4.513 4.699 -0.186 1
1 75 . 18 1 1 A 13 13 CYS CB C 13 30.133 28.964 1.169 1
1 78 . 18 1 1 A 13 13 CYS C C 13 176.806 174.529 2.277 1
1 79 . 18 1 1 A 14 14 ASN CA C 14 55.571 54.196 1.375 1
1 80 . 18 1 1 A 14 14 ASN HA H 14 4.532 5.041 -0.509 1
1 81 . 18 1 1 A 14 14 ASN CB C 14 37.747 40.575 -2.828 1
1 87 . 18 1 1 A 14 14 ASN C C 14 175.128 176.802 -1.674 1
1 88 . 18 1 1 A 15 15 GLU N N 15 121.346 120.013 1.333 1
1 89 . 18 1 1 A 15 15 GLU H H 15 8.862 8.226 0.636 1
1 90 . 18 1 1 A 15 15 GLU CA C 15 58.395 59.002 -0.607 1
1 91 . 18 1 1 A 15 15 GLU HA H 15 4.262 3.915 0.347 1
1 92 . 18 1 1 A 15 15 GLU CB C 15 29.692 28.732 0.960 1
1 98 . 18 1 1 A 15 15 GLU C C 15 177.050 178.351 -1.301 1
1 99 . 18 1 1 A 16 16 CYS N N 16 115.108 114.468 0.640 1
1 100 . 18 1 1 A 16 16 CYS H H 16 7.955 6.989 0.966 1
1 101 . 18 1 1 A 16 16 CYS CA C 16 58.406 59.251 -0.845 1
1 102 . 18 1 1 A 16 16 CYS HA H 16 5.166 4.467 0.699 1
1 103 . 18 1 1 A 16 16 CYS CB C 16 32.552 29.346 3.206 1
1 106 . 18 1 1 A 16 16 CYS C C 16 176.113 175.503 0.610 1
1 107 . 18 1 1 A 17 17 GLY N N 17 113.282 110.145 3.137 1
1 108 . 18 1 1 A 17 17 GLY H H 17 8.210 7.527 0.683 1
1 109 . 18 1 1 A 17 17 GLY CA C 17 46.158 44.693 1.465 1
1 110 . 18 1 1 A 17 17 GLY HA2 H 17 4.229 4.068 0.161 1
1 111 . 18 1 1 A 17 17 GLY HA3 H 17 3.869 4.084 -0.215 1
1 112 . 18 1 1 A 17 17 GLY C C 17 174.168 172.553 1.615 1
1 113 . 18 1 1 A 18 18 LYS N N 18 123.728 123.507 0.221 1
1 114 . 18 1 1 A 18 18 LYS H H 18 8.024 8.353 -0.329 1
1 115 . 18 1 1 A 18 18 LYS CA C 18 58.388 55.374 3.014 1
1 116 . 18 1 1 A 18 18 LYS HA H 18 3.899 4.652 -0.753 1
1 117 . 18 1 1 A 18 18 LYS CB C 18 33.570 35.887 -2.317 1
1 129 . 18 1 1 A 18 18 LYS C C 18 173.522 174.323 -0.801 1
1 130 . 18 1 1 A 19 19 ALA N N 19 124.052 123.136 0.916 1
1 131 . 18 1 1 A 19 19 ALA H H 19 7.694 8.404 -0.710 1
1 132 . 18 1 1 A 19 19 ALA CA C 19 50.399 49.942 0.457 1
1 133 . 18 1 1 A 19 19 ALA HA H 19 5.061 5.378 -0.317 1
1 134 . 18 1 1 A 19 19 ALA CB C 19 22.152 23.279 -1.127 1
1 138 . 18 1 1 A 19 19 ALA C C 19 176.089 175.061 1.028 1
1 139 . 18 1 1 A 20 20 PHE N N 20 116.696 116.634 0.062 1
1 140 . 18 1 1 A 20 20 PHE H H 20 8.620 9.034 -0.414 1
1 141 . 18 1 1 A 20 20 PHE CA C 20 57.273 56.583 0.690 1
1 142 . 18 1 1 A 20 20 PHE HA H 20 4.731 4.913 -0.182 1
1 143 . 18 1 1 A 20 20 PHE CB C 20 43.640 43.028 0.612 1
1 156 . 18 1 1 A 20 20 PHE C C 20 174.983 175.556 -0.573 1
1 157 . 18 1 1 A 21 21 THR N N 21 118.634 116.302 2.332 1
1 158 . 18 1 1 A 21 21 THR H H 21 8.744 8.762 -0.018 1
1 159 . 18 1 1 A 21 21 THR CA C 21 66.285 64.170 2.115 1
1 160 . 18 1 1 A 21 21 THR HA H 21 4.059 4.348 -0.289 1
1 161 . 18 1 1 A 21 21 THR CB C 21 69.676 69.091 0.585 1
1 167 . 18 1 1 A 21 21 THR C C 21 173.364 174.732 -1.368 1
1 168 . 18 1 1 A 22 22 PHE N N 22 114.894 118.100 -3.206 1
1 169 . 18 1 1 A 22 22 PHE H H 22 7.843 8.030 -0.187 1
1 170 . 18 1 1 A 22 22 PHE CA C 22 55.721 56.842 -1.121 1
1 171 . 18 1 1 A 22 22 PHE HA H 22 5.181 4.860 0.321 1
1 172 . 18 1 1 A 22 22 PHE CB C 22 42.090 41.513 0.577 1
1 185 . 18 1 1 A 22 22 PHE C C 22 176.381 175.538 0.843 1
1 186 . 18 1 1 A 23 23 LYS N N 23 127.457 124.152 3.305 1
1 187 . 18 1 1 A 23 23 LYS H H 23 8.657 8.338 0.319 1
1 188 . 18 1 1 A 23 23 LYS CA C 23 59.680 59.528 0.152 1
1 189 . 18 1 1 A 23 23 LYS HA H 23 3.019 3.052 -0.033 1
1 190 . 18 1 1 A 23 23 LYS CB C 23 31.653 32.157 -0.504 1
1 202 . 18 1 1 A 23 23 LYS C C 23 178.376 178.155 0.221 1
1 203 . 18 1 1 A 24 24 SER N N 24 112.175 115.639 -3.464 1
1 204 . 18 1 1 A 24 24 SER H H 24 8.574 8.162 0.412 1
1 205 . 18 1 1 A 24 24 SER CA C 24 60.972 62.021 -1.049 1
1 206 . 18 1 1 A 24 24 SER HA H 24 3.910 4.019 -0.109 1
1 207 . 18 1 1 A 24 24 SER CB C 24 61.493 62.839 -1.346 1
1 210 . 18 1 1 A 24 24 SER C C 24 176.806 176.650 0.156 1
1 211 . 18 1 1 A 25 25 GLN N N 25 119.551 121.148 -1.597 1
1 212 . 18 1 1 A 25 25 GLN H H 25 6.928 8.199 -1.271 1
1 213 . 18 1 1 A 25 25 GLN CA C 25 57.625 58.761 -1.136 1
1 214 . 18 1 1 A 25 25 GLN HA H 25 3.953 3.994 -0.041 1
1 215 . 18 1 1 A 25 25 GLN CB C 25 28.886 28.323 0.563 1
1 224 . 18 1 1 A 25 25 GLN C C 25 178.754 178.026 0.728 1
1 225 . 18 1 1 A 26 26 LEU N N 26 122.090 120.293 1.797 1
1 226 . 18 1 1 A 26 26 LEU H H 26 6.947 7.793 -0.846 1
1 227 . 18 1 1 A 26 26 LEU CA C 26 57.533 57.292 0.241 1
1 228 . 18 1 1 A 26 26 LEU HA H 26 3.309 2.715 0.594 1
1 229 . 18 1 1 A 26 26 LEU CB C 26 40.550 41.490 -0.940 1
1 242 . 18 1 1 A 26 26 LEU C C 26 177.318 178.226 -0.908 1
1 243 . 18 1 1 A 27 27 ILE N N 27 118.535 120.134 -1.599 1
1 244 . 18 1 1 A 27 27 ILE H H 27 7.955 8.147 -0.192 1
1 245 . 18 1 1 A 27 27 ILE CA C 27 64.986 65.234 -0.248 1
1 246 . 18 1 1 A 27 27 ILE HA H 27 3.526 3.603 -0.077 1
1 247 . 18 1 1 A 27 27 ILE CB C 27 37.335 37.912 -0.577 1
1 260 . 18 1 1 A 27 27 ILE C C 27 179.131 178.355 0.776 1
1 261 . 18 1 1 A 28 28 VAL N N 28 118.816 119.744 -0.928 1
1 262 . 18 1 1 A 28 28 VAL H H 28 7.337 7.926 -0.589 1
1 263 . 18 1 1 A 28 28 VAL CA C 28 66.188 66.352 -0.164 1
1 264 . 18 1 1 A 28 28 VAL HA H 28 3.647 3.493 0.154 1
1 265 . 18 1 1 A 28 28 VAL CB C 28 32.100 31.603 0.497 1
1 275 . 18 1 1 A 28 28 VAL C C 28 179.034 177.860 1.174 1
1 276 . 18 1 1 A 29 29 HIS N N 29 120.386 119.048 1.338 1
1 277 . 18 1 1 A 29 29 HIS H H 29 7.693 7.671 0.022 1
1 278 . 18 1 1 A 29 29 HIS CA C 29 59.203 58.957 0.246 1
1 279 . 18 1 1 A 29 29 HIS HA H 29 4.191 4.129 0.062 1
1 280 . 18 1 1 A 29 29 HIS CB C 29 28.639 29.853 -1.214 1
1 287 . 18 1 1 A 29 29 HIS C C 29 175.639 177.065 -1.426 1
1 288 . 18 1 1 A 30 30 LYS N N 30 116.039 118.438 -2.399 1
1 289 . 18 1 1 A 30 30 LYS H H 30 8.110 8.396 -0.286 1
1 290 . 18 1 1 A 30 30 LYS CA C 30 59.972 59.221 0.751 1
1 291 . 18 1 1 A 30 30 LYS HA H 30 3.744 4.075 -0.331 1
1 292 . 18 1 1 A 30 30 LYS CB C 30 31.811 32.239 -0.428 1
1 304 . 18 1 1 A 30 30 LYS C C 30 178.535 179.970 -1.435 1
1 305 . 18 1 1 A 31 31 GLY N N 31 105.302 108.132 -2.830 1
1 306 . 18 1 1 A 31 31 GLY H H 31 7.535 7.937 -0.402 1
1 307 . 18 1 1 A 31 31 GLY CA C 31 46.631 47.439 -0.808 1
1 308 . 18 1 1 A 31 31 GLY HA2 H 31 3.896 3.635 0.261 1
1 309 . 18 1 1 A 31 31 GLY HA3 H 31 4.014 3.659 0.355 1
1 310 . 18 1 1 A 31 31 GLY C C 31 175.882 176.082 -0.200 1
1 311 . 18 1 1 A 32 32 VAL N N 32 117.819 120.224 -2.405 1
1 312 . 18 1 1 A 32 32 VAL H H 32 8.006 7.914 0.092 1
1 313 . 18 1 1 A 32 32 VAL CA C 32 63.726 65.504 -1.778 1
1 314 . 18 1 1 A 32 32 VAL HA H 32 3.991 3.719 0.272 1
1 315 . 18 1 1 A 32 32 VAL CB C 32 31.119 30.999 0.120 1
1 325 . 18 1 1 A 32 32 VAL C C 32 177.331 177.658 -0.327 1
1 326 . 18 1 1 A 33 33 HIS N N 33 117.685 119.339 -1.654 1
1 327 . 18 1 1 A 33 33 HIS H H 33 7.293 7.176 0.117 1
1 328 . 18 1 1 A 33 33 HIS CA C 33 55.035 58.127 -3.092 1
1 329 . 18 1 1 A 33 33 HIS HA H 33 4.877 4.429 0.448 1
1 330 . 18 1 1 A 33 33 HIS CB C 33 28.797 31.022 -2.225 1
1 337 . 18 1 1 A 33 33 HIS C C 33 175.408 175.517 -0.109 1
1 338 . 18 1 1 A 34 34 THR N N 34 112.317 111.719 0.598 1
1 339 . 18 1 1 A 34 34 THR H H 34 7.791 7.310 0.481 1
1 340 . 18 1 1 A 34 34 THR CA C 34 62.359 62.852 -0.493 1
1 341 . 18 1 1 A 34 34 THR HA H 34 4.379 4.084 0.295 1
1 342 . 18 1 1 A 34 34 THR CB C 34 69.838 68.971 0.867 1
1 348 . 18 1 1 A 34 34 THR C C 34 175.262 174.678 0.584 1
1 349 . 18 1 1 A 35 35 GLY N N 35 111.103 110.784 0.319 1
1 350 . 18 1 1 A 35 35 GLY H H 35 8.318 8.412 -0.094 1
1 351 . 18 1 1 A 35 35 GLY CA C 35 45.398 45.378 0.020 1
1 352 . 18 1 1 A 35 35 GLY HA2 H 35 3.994 4.188 -0.194 1
1 353 . 18 1 1 A 35 35 GLY HA3 H 35 3.994 4.191 -0.197 1
1 354 . 18 1 1 A 35 35 GLY C C 35 173.875 174.500 -0.625 1
1 355 . 18 1 1 A 36 36 VAL N N 36 119.868 117.569 2.299 1
1 356 . 18 1 1 A 36 36 VAL H H 36 7.956 7.924 0.032 1
1 357 . 18 1 1 A 36 36 VAL CA C 36 62.215 61.488 0.727 1
1 358 . 18 1 1 A 36 36 VAL HA H 36 4.087 4.363 -0.276 1
1 359 . 18 1 1 A 36 36 VAL CB C 36 32.793 33.084 -0.291 1
1 369 . 18 1 1 A 36 36 VAL C C 36 176.041 175.043 0.998 1
1 370 . 18 1 1 A 37 37 LYS N N 37 127.378 124.539 2.839 1
1 371 . 18 1 1 A 37 37 LYS H H 37 8.475 8.486 -0.011 1
1 372 . 18 1 1 A 37 37 LYS CA C 37 54.080 53.152 0.928 1
1 373 . 18 1 1 A 37 37 LYS HA H 37 4.624 4.573 0.051 1
1 374 . 18 1 1 A 37 37 LYS CB C 37 32.545 36.368 -3.823 1
1 385 . 18 1 1 A 37 37 LYS C C 37 174.473 175.509 -1.036 1
1 386 . 18 1 1 A 38 38 PRO CA C 38 63.166 64.052 -0.886 1
1 387 . 18 1 1 A 38 38 PRO HA H 38 4.465 4.396 0.069 1
1 388 . 18 1 1 A 38 38 PRO CB C 38 32.220 31.971 0.249 1
1 397 . 18 1 1 A 41 41 PRO CA C 41 63.295 62.404 0.891 1
1 398 . 18 1 1 A 41 41 PRO HA H 41 4.485 4.760 -0.275 1
1 399 . 18 1 1 A 41 41 PRO CB C 41 32.225 29.758 2.467 1
1 408 . 18 1 1 A 43 43 SER CA C 43 58.583 57.504 1.079 1
1 409 . 18 1 1 A 43 43 SER HA H 43 4.460 4.936 -0.476 1
1 410 . 18 1 1 A 43 43 SER CB C 43 63.880 65.556 -1.676 1
1 413 . 18 1 1 A 43 43 SER C C 43 173.861 172.839 1.022 1
1 1 . 19 1 1 A 7 7 GLY N N 7 110.455 114.454 -3.999 1
1 2 . 19 1 1 A 7 7 GLY H H 7 8.367 8.461 -0.094 1
1 3 . 19 1 1 A 7 7 GLY CA C 7 45.260 44.637 0.623 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 3.916 4.161 -0.245 1
1 5 . 19 1 1 A 7 7 GLY HA3 H 7 3.916 4.165 -0.249 1
1 6 . 19 1 1 A 7 7 GLY C C 7 174.007 172.753 1.254 1
1 7 . 19 1 1 A 8 8 GLU N N 8 120.208 121.034 -0.826 1
1 8 . 19 1 1 A 8 8 GLU H H 8 8.176 8.524 -0.348 1
1 9 . 19 1 1 A 8 8 GLU CA C 8 56.854 55.469 1.385 1
1 10 . 19 1 1 A 8 8 GLU HA H 8 4.160 4.640 -0.480 1
1 11 . 19 1 1 A 8 8 GLU CB C 8 30.376 30.784 -0.408 1
1 17 . 19 1 1 A 8 8 GLU C C 8 176.369 176.143 0.226 1
1 18 . 19 1 1 A 9 9 LYS N N 9 121.925 124.721 -2.796 1
1 19 . 19 1 1 A 9 9 LYS H H 9 8.248 8.695 -0.447 1
1 20 . 19 1 1 A 9 9 LYS CA C 9 53.835 53.731 0.104 1
1 21 . 19 1 1 A 9 9 LYS HA H 9 4.472 4.565 -0.093 1
1 22 . 19 1 1 A 9 9 LYS CB C 9 33.228 32.644 0.584 1
1 34 . 19 1 1 A 9 9 LYS C C 9 174.035 176.607 -2.572 1
1 35 . 19 1 1 A 10 10 PRO CA C 10 63.591 63.817 -0.226 1
1 36 . 19 1 1 A 10 10 PRO HA H 10 4.246 4.335 -0.089 1
1 37 . 19 1 1 A 10 10 PRO CB C 10 32.267 31.250 1.017 1
1 46 . 19 1 1 A 10 10 PRO C C 10 176.492 175.600 0.892 1
1 47 . 19 1 1 A 11 11 TYR N N 11 117.866 119.564 -1.698 1
1 48 . 19 1 1 A 11 11 TYR H H 11 7.767 7.132 0.635 1
1 49 . 19 1 1 A 11 11 TYR CA C 11 57.355 56.818 0.537 1
1 50 . 19 1 1 A 11 11 TYR HA H 11 4.731 5.369 -0.638 1
1 51 . 19 1 1 A 11 11 TYR CB C 11 38.877 40.519 -1.642 1
1 62 . 19 1 1 A 11 11 TYR C C 11 174.849 175.042 -0.193 1
1 63 . 19 1 1 A 12 12 SER N N 12 117.933 117.908 0.025 1
1 64 . 19 1 1 A 12 12 SER H H 12 8.645 9.141 -0.496 1
1 65 . 19 1 1 A 12 12 SER CA C 12 57.174 56.390 0.784 1
1 66 . 19 1 1 A 12 12 SER HA H 12 5.270 5.577 -0.307 1
1 67 . 19 1 1 A 12 12 SER CB C 12 65.458 65.975 -0.517 1
1 70 . 19 1 1 A 12 12 SER C C 12 173.243 172.885 0.358 1
1 71 . 19 1 1 A 13 13 CYS N N 13 125.607 121.634 3.973 1
1 72 . 19 1 1 A 13 13 CYS H H 13 9.185 9.151 0.034 1
1 73 . 19 1 1 A 13 13 CYS CA C 13 59.445 57.828 1.617 1
1 74 . 19 1 1 A 13 13 CYS HA H 13 4.513 5.036 -0.523 1
1 75 . 19 1 1 A 13 13 CYS CB C 13 30.133 29.907 0.226 1
1 78 . 19 1 1 A 13 13 CYS C C 13 176.806 174.562 2.244 1
1 79 . 19 1 1 A 14 14 ASN CA C 14 55.571 54.292 1.279 1
1 80 . 19 1 1 A 14 14 ASN HA H 14 4.532 4.927 -0.395 1
1 81 . 19 1 1 A 14 14 ASN CB C 14 37.747 39.548 -1.801 1
1 87 . 19 1 1 A 14 14 ASN C C 14 175.128 177.212 -2.084 1
1 88 . 19 1 1 A 15 15 GLU N N 15 121.346 118.588 2.758 1
1 89 . 19 1 1 A 15 15 GLU H H 15 8.862 8.265 0.597 1
1 90 . 19 1 1 A 15 15 GLU CA C 15 58.395 59.303 -0.908 1
1 91 . 19 1 1 A 15 15 GLU HA H 15 4.262 3.898 0.364 1
1 92 . 19 1 1 A 15 15 GLU CB C 15 29.692 28.833 0.859 1
1 98 . 19 1 1 A 15 15 GLU C C 15 177.050 178.281 -1.231 1
1 99 . 19 1 1 A 16 16 CYS N N 16 115.108 114.340 0.768 1
1 100 . 19 1 1 A 16 16 CYS H H 16 7.955 7.022 0.933 1
1 101 . 19 1 1 A 16 16 CYS CA C 16 58.406 59.308 -0.902 1
1 102 . 19 1 1 A 16 16 CYS HA H 16 5.166 4.522 0.644 1
1 103 . 19 1 1 A 16 16 CYS CB C 16 32.552 29.612 2.940 1
1 106 . 19 1 1 A 16 16 CYS C C 16 176.113 175.309 0.804 1
1 107 . 19 1 1 A 17 17 GLY N N 17 113.282 109.481 3.801 1
1 108 . 19 1 1 A 17 17 GLY H H 17 8.210 7.511 0.699 1
1 109 . 19 1 1 A 17 17 GLY CA C 17 46.158 44.592 1.566 1
1 110 . 19 1 1 A 17 17 GLY HA2 H 17 4.229 4.071 0.158 1
1 111 . 19 1 1 A 17 17 GLY HA3 H 17 3.869 4.090 -0.221 1
1 112 . 19 1 1 A 17 17 GLY C C 17 174.168 172.231 1.937 1
1 113 . 19 1 1 A 18 18 LYS N N 18 123.728 123.379 0.349 1
1 114 . 19 1 1 A 18 18 LYS H H 18 8.024 8.391 -0.367 1
1 115 . 19 1 1 A 18 18 LYS CA C 18 58.388 55.242 3.146 1
1 116 . 19 1 1 A 18 18 LYS HA H 18 3.899 4.618 -0.719 1
1 117 . 19 1 1 A 18 18 LYS CB C 18 33.570 35.636 -2.066 1
1 129 . 19 1 1 A 18 18 LYS C C 18 173.522 174.076 -0.554 1
1 130 . 19 1 1 A 19 19 ALA N N 19 124.052 123.114 0.938 1
1 131 . 19 1 1 A 19 19 ALA H H 19 7.694 8.349 -0.655 1
1 132 . 19 1 1 A 19 19 ALA CA C 19 50.399 49.989 0.410 1
1 133 . 19 1 1 A 19 19 ALA HA H 19 5.061 5.458 -0.397 1
1 134 . 19 1 1 A 19 19 ALA CB C 19 22.152 23.499 -1.347 1
1 138 . 19 1 1 A 19 19 ALA C C 19 176.089 175.020 1.069 1
1 139 . 19 1 1 A 20 20 PHE N N 20 116.696 116.516 0.180 1
1 140 . 19 1 1 A 20 20 PHE H H 20 8.620 9.112 -0.492 1
1 141 . 19 1 1 A 20 20 PHE CA C 20 57.273 56.653 0.620 1
1 142 . 19 1 1 A 20 20 PHE HA H 20 4.731 4.858 -0.127 1
1 143 . 19 1 1 A 20 20 PHE CB C 20 43.640 43.210 0.430 1
1 156 . 19 1 1 A 20 20 PHE C C 20 174.983 175.649 -0.666 1
1 157 . 19 1 1 A 21 21 THR N N 21 118.634 116.081 2.553 1
1 158 . 19 1 1 A 21 21 THR H H 21 8.744 8.852 -0.108 1
1 159 . 19 1 1 A 21 21 THR CA C 21 66.285 63.925 2.360 1
1 160 . 19 1 1 A 21 21 THR HA H 21 4.059 4.461 -0.402 1
1 161 . 19 1 1 A 21 21 THR CB C 21 69.676 69.390 0.286 1
1 167 . 19 1 1 A 21 21 THR C C 21 173.364 175.080 -1.716 1
1 168 . 19 1 1 A 22 22 PHE N N 22 114.894 117.488 -2.594 1
1 169 . 19 1 1 A 22 22 PHE H H 22 7.843 8.210 -0.367 1
1 170 . 19 1 1 A 22 22 PHE CA C 22 55.721 56.611 -0.890 1
1 171 . 19 1 1 A 22 22 PHE HA H 22 5.181 4.717 0.464 1
1 172 . 19 1 1 A 22 22 PHE CB C 22 42.090 41.651 0.439 1
1 185 . 19 1 1 A 22 22 PHE C C 22 176.381 175.579 0.802 1
1 186 . 19 1 1 A 23 23 LYS N N 23 127.457 123.440 4.017 1
1 187 . 19 1 1 A 23 23 LYS H H 23 8.657 8.401 0.256 1
1 188 . 19 1 1 A 23 23 LYS CA C 23 59.680 59.700 -0.020 1
1 189 . 19 1 1 A 23 23 LYS HA H 23 3.019 3.460 -0.441 1
1 190 . 19 1 1 A 23 23 LYS CB C 23 31.653 32.420 -0.767 1
1 202 . 19 1 1 A 23 23 LYS C C 23 178.376 177.855 0.521 1
1 203 . 19 1 1 A 24 24 SER N N 24 112.175 113.881 -1.706 1
1 204 . 19 1 1 A 24 24 SER H H 24 8.574 8.371 0.203 1
1 205 . 19 1 1 A 24 24 SER CA C 24 60.972 61.515 -0.543 1
1 206 . 19 1 1 A 24 24 SER HA H 24 3.910 4.174 -0.264 1
1 207 . 19 1 1 A 24 24 SER CB C 24 61.493 62.709 -1.216 1
1 210 . 19 1 1 A 24 24 SER C C 24 176.806 176.882 -0.076 1
1 211 . 19 1 1 A 25 25 GLN N N 25 119.551 119.853 -0.302 1
1 212 . 19 1 1 A 25 25 GLN H H 25 6.928 8.310 -1.382 1
1 213 . 19 1 1 A 25 25 GLN CA C 25 57.625 58.987 -1.362 1
1 214 . 19 1 1 A 25 25 GLN HA H 25 3.953 3.864 0.089 1
1 215 . 19 1 1 A 25 25 GLN CB C 25 28.886 28.303 0.583 1
1 224 . 19 1 1 A 25 25 GLN C C 25 178.754 177.958 0.796 1
1 225 . 19 1 1 A 26 26 LEU N N 26 122.090 120.020 2.070 1
1 226 . 19 1 1 A 26 26 LEU H H 26 6.947 7.918 -0.971 1
1 227 . 19 1 1 A 26 26 LEU CA C 26 57.533 57.064 0.469 1
1 228 . 19 1 1 A 26 26 LEU HA H 26 3.309 2.639 0.670 1
1 229 . 19 1 1 A 26 26 LEU CB C 26 40.550 41.605 -1.055 1
1 242 . 19 1 1 A 26 26 LEU C C 26 177.318 178.594 -1.276 1
1 243 . 19 1 1 A 27 27 ILE N N 27 118.535 119.184 -0.649 1
1 244 . 19 1 1 A 27 27 ILE H H 27 7.955 7.979 -0.024 1
1 245 . 19 1 1 A 27 27 ILE CA C 27 64.986 65.324 -0.338 1
1 246 . 19 1 1 A 27 27 ILE HA H 27 3.526 3.543 -0.017 1
1 247 . 19 1 1 A 27 27 ILE CB C 27 37.335 37.535 -0.200 1
1 260 . 19 1 1 A 27 27 ILE C C 27 179.131 178.165 0.966 1
1 261 . 19 1 1 A 28 28 VAL N N 28 118.816 120.055 -1.239 1
1 262 . 19 1 1 A 28 28 VAL H H 28 7.337 7.901 -0.564 1
1 263 . 19 1 1 A 28 28 VAL CA C 28 66.188 66.369 -0.181 1
1 264 . 19 1 1 A 28 28 VAL HA H 28 3.647 3.517 0.130 1
1 265 . 19 1 1 A 28 28 VAL CB C 28 32.100 31.612 0.488 1
1 275 . 19 1 1 A 28 28 VAL C C 28 179.034 177.901 1.133 1
1 276 . 19 1 1 A 29 29 HIS N N 29 120.386 119.067 1.319 1
1 277 . 19 1 1 A 29 29 HIS H H 29 7.693 7.552 0.141 1
1 278 . 19 1 1 A 29 29 HIS CA C 29 59.203 59.194 0.009 1
1 279 . 19 1 1 A 29 29 HIS HA H 29 4.191 4.210 -0.019 1
1 280 . 19 1 1 A 29 29 HIS CB C 29 28.639 29.823 -1.184 1
1 287 . 19 1 1 A 29 29 HIS C C 29 175.639 177.261 -1.622 1
1 288 . 19 1 1 A 30 30 LYS N N 30 116.039 118.255 -2.216 1
1 289 . 19 1 1 A 30 30 LYS H H 30 8.110 8.442 -0.332 1
1 290 . 19 1 1 A 30 30 LYS CA C 30 59.972 59.164 0.808 1
1 291 . 19 1 1 A 30 30 LYS HA H 30 3.744 3.983 -0.239 1
1 292 . 19 1 1 A 30 30 LYS CB C 30 31.811 32.227 -0.416 1
1 304 . 19 1 1 A 30 30 LYS C C 30 178.535 179.952 -1.417 1
1 305 . 19 1 1 A 31 31 GLY N N 31 105.302 107.925 -2.623 1
1 306 . 19 1 1 A 31 31 GLY H H 31 7.535 7.925 -0.390 1
1 307 . 19 1 1 A 31 31 GLY CA C 31 46.631 47.252 -0.621 1
1 308 . 19 1 1 A 31 31 GLY HA2 H 31 3.896 3.659 0.237 1
1 309 . 19 1 1 A 31 31 GLY HA3 H 31 4.014 3.678 0.336 1
1 310 . 19 1 1 A 31 31 GLY C C 31 175.882 176.220 -0.338 1
1 311 . 19 1 1 A 32 32 VAL N N 32 117.819 119.755 -1.936 1
1 312 . 19 1 1 A 32 32 VAL H H 32 8.006 7.446 0.560 1
1 313 . 19 1 1 A 32 32 VAL CA C 32 63.726 65.364 -1.638 1
1 314 . 19 1 1 A 32 32 VAL HA H 32 3.991 3.764 0.227 1
1 315 . 19 1 1 A 32 32 VAL CB C 32 31.119 31.017 0.102 1
1 325 . 19 1 1 A 32 32 VAL C C 32 177.331 176.780 0.551 1
1 326 . 19 1 1 A 33 33 HIS N N 33 117.685 119.854 -2.169 1
1 327 . 19 1 1 A 33 33 HIS H H 33 7.293 7.340 -0.047 1
1 328 . 19 1 1 A 33 33 HIS CA C 33 55.035 57.579 -2.544 1
1 329 . 19 1 1 A 33 33 HIS HA H 33 4.877 4.497 0.380 1
1 330 . 19 1 1 A 33 33 HIS CB C 33 28.797 31.309 -2.512 1
1 337 . 19 1 1 A 33 33 HIS C C 33 175.408 175.945 -0.537 1
1 338 . 19 1 1 A 34 34 THR N N 34 112.317 108.771 3.546 1
1 339 . 19 1 1 A 34 34 THR H H 34 7.791 7.455 0.336 1
1 340 . 19 1 1 A 34 34 THR CA C 34 62.359 61.224 1.135 1
1 341 . 19 1 1 A 34 34 THR HA H 34 4.379 4.369 0.010 1
1 342 . 19 1 1 A 34 34 THR CB C 34 69.838 68.644 1.194 1
1 348 . 19 1 1 A 34 34 THR C C 34 175.262 174.773 0.489 1
1 349 . 19 1 1 A 35 35 GLY N N 35 111.103 111.349 -0.246 1
1 350 . 19 1 1 A 35 35 GLY H H 35 8.318 8.350 -0.032 1
1 351 . 19 1 1 A 35 35 GLY CA C 35 45.398 44.688 0.710 1
1 352 . 19 1 1 A 35 35 GLY HA2 H 35 3.994 4.029 -0.035 1
1 353 . 19 1 1 A 35 35 GLY HA3 H 35 3.994 4.032 -0.038 1
1 354 . 19 1 1 A 35 35 GLY C C 35 173.875 174.121 -0.246 1
1 355 . 19 1 1 A 36 36 VAL N N 36 119.868 124.192 -4.324 1
1 356 . 19 1 1 A 36 36 VAL H H 36 7.956 8.326 -0.370 1
1 357 . 19 1 1 A 36 36 VAL CA C 36 62.215 61.371 0.844 1
1 358 . 19 1 1 A 36 36 VAL HA H 36 4.087 4.353 -0.266 1
1 359 . 19 1 1 A 36 36 VAL CB C 36 32.793 33.021 -0.228 1
1 369 . 19 1 1 A 36 36 VAL C C 36 176.041 175.377 0.664 1
1 370 . 19 1 1 A 37 37 LYS N N 37 127.378 119.413 7.965 1
1 371 . 19 1 1 A 37 37 LYS H H 37 8.475 7.639 0.836 1
1 372 . 19 1 1 A 37 37 LYS CA C 37 54.080 53.172 0.908 1
1 373 . 19 1 1 A 37 37 LYS HA H 37 4.624 4.944 -0.320 1
1 374 . 19 1 1 A 37 37 LYS CB C 37 32.545 35.095 -2.550 1
1 385 . 19 1 1 A 37 37 LYS C C 37 174.473 174.676 -0.203 1
1 386 . 19 1 1 A 38 38 PRO CA C 38 63.166 62.304 0.862 1
1 387 . 19 1 1 A 38 38 PRO HA H 38 4.465 4.639 -0.174 1
1 388 . 19 1 1 A 38 38 PRO CB C 38 32.220 32.848 -0.628 1
1 397 . 19 1 1 A 41 41 PRO CA C 41 63.295 63.289 0.006 1
1 398 . 19 1 1 A 41 41 PRO HA H 41 4.485 4.607 -0.122 1
1 399 . 19 1 1 A 41 41 PRO CB C 41 32.225 31.314 0.911 1
1 408 . 19 1 1 A 43 43 SER CA C 43 58.583 57.465 1.118 1
1 409 . 19 1 1 A 43 43 SER HA H 43 4.460 5.070 -0.610 1
1 410 . 19 1 1 A 43 43 SER CB C 43 63.880 65.740 -1.860 1
1 413 . 19 1 1 A 43 43 SER C C 43 173.861 173.480 0.381 1
1 1 . 20 1 1 A 7 7 GLY N N 7 110.455 113.461 -3.006 1
1 2 . 20 1 1 A 7 7 GLY H H 7 8.367 8.613 -0.246 1
1 3 . 20 1 1 A 7 7 GLY CA C 7 45.260 44.203 1.057 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 3.916 4.102 -0.186 1
1 5 . 20 1 1 A 7 7 GLY HA3 H 7 3.916 4.103 -0.187 1
1 6 . 20 1 1 A 7 7 GLY C C 7 174.007 172.472 1.535 1
1 7 . 20 1 1 A 8 8 GLU N N 8 120.208 118.921 1.287 1
1 8 . 20 1 1 A 8 8 GLU H H 8 8.176 8.514 -0.338 1
1 9 . 20 1 1 A 8 8 GLU CA C 8 56.854 55.019 1.835 1
1 10 . 20 1 1 A 8 8 GLU HA H 8 4.160 5.069 -0.909 1
1 11 . 20 1 1 A 8 8 GLU CB C 8 30.376 33.408 -3.032 1
1 17 . 20 1 1 A 8 8 GLU C C 8 176.369 175.231 1.138 1
1 18 . 20 1 1 A 9 9 LYS N N 9 121.925 124.451 -2.526 1
1 19 . 20 1 1 A 9 9 LYS H H 9 8.248 8.851 -0.603 1
1 20 . 20 1 1 A 9 9 LYS CA C 9 53.835 52.358 1.477 1
1 21 . 20 1 1 A 9 9 LYS HA H 9 4.472 4.887 -0.415 1
1 22 . 20 1 1 A 9 9 LYS CB C 9 33.228 33.199 0.029 1
1 34 . 20 1 1 A 9 9 LYS C C 9 174.035 176.248 -2.213 1
1 35 . 20 1 1 A 10 10 PRO CA C 10 63.591 63.803 -0.212 1
1 36 . 20 1 1 A 10 10 PRO HA H 10 4.246 4.329 -0.083 1
1 37 . 20 1 1 A 10 10 PRO CB C 10 32.267 31.280 0.987 1
1 46 . 20 1 1 A 10 10 PRO C C 10 176.492 175.603 0.889 1
1 47 . 20 1 1 A 11 11 TYR N N 11 117.866 119.537 -1.671 1
1 48 . 20 1 1 A 11 11 TYR H H 11 7.767 7.103 0.664 1
1 49 . 20 1 1 A 11 11 TYR CA C 11 57.355 56.775 0.580 1
1 50 . 20 1 1 A 11 11 TYR HA H 11 4.731 5.362 -0.631 1
1 51 . 20 1 1 A 11 11 TYR CB C 11 38.877 40.637 -1.760 1
1 62 . 20 1 1 A 11 11 TYR C C 11 174.849 175.095 -0.246 1
1 63 . 20 1 1 A 12 12 SER N N 12 117.933 117.940 -0.007 1
1 64 . 20 1 1 A 12 12 SER H H 12 8.645 9.148 -0.503 1
1 65 . 20 1 1 A 12 12 SER CA C 12 57.174 56.367 0.807 1
1 66 . 20 1 1 A 12 12 SER HA H 12 5.270 5.674 -0.404 1
1 67 . 20 1 1 A 12 12 SER CB C 12 65.458 66.019 -0.561 1
1 70 . 20 1 1 A 12 12 SER C C 12 173.243 172.715 0.528 1
1 71 . 20 1 1 A 13 13 CYS N N 13 125.607 121.954 3.653 1
1 72 . 20 1 1 A 13 13 CYS H H 13 9.185 9.355 -0.170 1
1 73 . 20 1 1 A 13 13 CYS CA C 13 59.445 58.739 0.706 1
1 74 . 20 1 1 A 13 13 CYS HA H 13 4.513 4.856 -0.343 1
1 75 . 20 1 1 A 13 13 CYS CB C 13 30.133 29.383 0.750 1
1 78 . 20 1 1 A 13 13 CYS C C 13 176.806 174.563 2.243 1
1 79 . 20 1 1 A 14 14 ASN CA C 14 55.571 54.308 1.263 1
1 80 . 20 1 1 A 14 14 ASN HA H 14 4.532 4.875 -0.343 1
1 81 . 20 1 1 A 14 14 ASN CB C 14 37.747 40.224 -2.477 1
1 87 . 20 1 1 A 14 14 ASN C C 14 175.128 177.142 -2.014 1
1 88 . 20 1 1 A 15 15 GLU N N 15 121.346 118.124 3.222 1
1 89 . 20 1 1 A 15 15 GLU H H 15 8.862 8.274 0.588 1
1 90 . 20 1 1 A 15 15 GLU CA C 15 58.395 59.328 -0.933 1
1 91 . 20 1 1 A 15 15 GLU HA H 15 4.262 3.892 0.370 1
1 92 . 20 1 1 A 15 15 GLU CB C 15 29.692 28.674 1.018 1
1 98 . 20 1 1 A 15 15 GLU C C 15 177.050 178.267 -1.217 1
1 99 . 20 1 1 A 16 16 CYS N N 16 115.108 114.433 0.675 1
1 100 . 20 1 1 A 16 16 CYS H H 16 7.955 6.984 0.971 1
1 101 . 20 1 1 A 16 16 CYS CA C 16 58.406 59.133 -0.727 1
1 102 . 20 1 1 A 16 16 CYS HA H 16 5.166 4.480 0.686 1
1 103 . 20 1 1 A 16 16 CYS CB C 16 32.552 29.329 3.223 1
1 106 . 20 1 1 A 16 16 CYS C C 16 176.113 175.380 0.733 1
1 107 . 20 1 1 A 17 17 GLY N N 17 113.282 109.805 3.477 1
1 108 . 20 1 1 A 17 17 GLY H H 17 8.210 7.492 0.718 1
1 109 . 20 1 1 A 17 17 GLY CA C 17 46.158 44.694 1.464 1
1 110 . 20 1 1 A 17 17 GLY HA2 H 17 4.229 4.070 0.159 1
1 111 . 20 1 1 A 17 17 GLY HA3 H 17 3.869 4.086 -0.217 1
1 112 . 20 1 1 A 17 17 GLY C C 17 174.168 172.201 1.967 1
1 113 . 20 1 1 A 18 18 LYS N N 18 123.728 123.377 0.351 1
1 114 . 20 1 1 A 18 18 LYS H H 18 8.024 8.354 -0.330 1
1 115 . 20 1 1 A 18 18 LYS CA C 18 58.388 55.260 3.128 1
1 116 . 20 1 1 A 18 18 LYS HA H 18 3.899 4.644 -0.745 1
1 117 . 20 1 1 A 18 18 LYS CB C 18 33.570 35.678 -2.108 1
1 129 . 20 1 1 A 18 18 LYS C C 18 173.522 174.262 -0.740 1
1 130 . 20 1 1 A 19 19 ALA N N 19 124.052 123.172 0.880 1
1 131 . 20 1 1 A 19 19 ALA H H 19 7.694 8.397 -0.703 1
1 132 . 20 1 1 A 19 19 ALA CA C 19 50.399 49.965 0.434 1
1 133 . 20 1 1 A 19 19 ALA HA H 19 5.061 5.492 -0.431 1
1 134 . 20 1 1 A 19 19 ALA CB C 19 22.152 23.436 -1.284 1
1 138 . 20 1 1 A 19 19 ALA C C 19 176.089 175.135 0.954 1
1 139 . 20 1 1 A 20 20 PHE N N 20 116.696 116.627 0.069 1
1 140 . 20 1 1 A 20 20 PHE H H 20 8.620 9.107 -0.487 1
1 141 . 20 1 1 A 20 20 PHE CA C 20 57.273 56.662 0.611 1
1 142 . 20 1 1 A 20 20 PHE HA H 20 4.731 4.914 -0.183 1
1 143 . 20 1 1 A 20 20 PHE CB C 20 43.640 43.226 0.414 1
1 156 . 20 1 1 A 20 20 PHE C C 20 174.983 175.648 -0.665 1
1 157 . 20 1 1 A 21 21 THR N N 21 118.634 116.387 2.247 1
1 158 . 20 1 1 A 21 21 THR H H 21 8.744 8.901 -0.157 1
1 159 . 20 1 1 A 21 21 THR CA C 21 66.285 64.193 2.092 1
1 160 . 20 1 1 A 21 21 THR HA H 21 4.059 4.449 -0.390 1
1 161 . 20 1 1 A 21 21 THR CB C 21 69.676 69.399 0.277 1
1 167 . 20 1 1 A 21 21 THR C C 21 173.364 174.840 -1.476 1
1 168 . 20 1 1 A 22 22 PHE N N 22 114.894 117.989 -3.095 1
1 169 . 20 1 1 A 22 22 PHE H H 22 7.843 8.212 -0.369 1
1 170 . 20 1 1 A 22 22 PHE CA C 22 55.721 56.572 -0.851 1
1 171 . 20 1 1 A 22 22 PHE HA H 22 5.181 4.796 0.385 1
1 172 . 20 1 1 A 22 22 PHE CB C 22 42.090 41.594 0.496 1
1 185 . 20 1 1 A 22 22 PHE C C 22 176.381 175.511 0.870 1
1 186 . 20 1 1 A 23 23 LYS N N 23 127.457 123.894 3.563 1
1 187 . 20 1 1 A 23 23 LYS H H 23 8.657 8.229 0.428 1
1 188 . 20 1 1 A 23 23 LYS CA C 23 59.680 59.581 0.099 1
1 189 . 20 1 1 A 23 23 LYS HA H 23 3.019 3.128 -0.109 1
1 190 . 20 1 1 A 23 23 LYS CB C 23 31.653 32.189 -0.536 1
1 202 . 20 1 1 A 23 23 LYS C C 23 178.376 177.880 0.496 1
1 203 . 20 1 1 A 24 24 SER N N 24 112.175 114.721 -2.546 1
1 204 . 20 1 1 A 24 24 SER H H 24 8.574 8.284 0.290 1
1 205 . 20 1 1 A 24 24 SER CA C 24 60.972 61.359 -0.387 1
1 206 . 20 1 1 A 24 24 SER HA H 24 3.910 4.136 -0.226 1
1 207 . 20 1 1 A 24 24 SER CB C 24 61.493 62.520 -1.027 1
1 210 . 20 1 1 A 24 24 SER C C 24 176.806 176.969 -0.163 1
1 211 . 20 1 1 A 25 25 GLN N N 25 119.551 120.206 -0.655 1
1 212 . 20 1 1 A 25 25 GLN H H 25 6.928 8.217 -1.289 1
1 213 . 20 1 1 A 25 25 GLN CA C 25 57.625 58.717 -1.092 1
1 214 . 20 1 1 A 25 25 GLN HA H 25 3.953 3.974 -0.021 1
1 215 . 20 1 1 A 25 25 GLN CB C 25 28.886 28.442 0.444 1
1 224 . 20 1 1 A 25 25 GLN C C 25 178.754 177.732 1.022 1
1 225 . 20 1 1 A 26 26 LEU N N 26 122.090 120.569 1.521 1
1 226 . 20 1 1 A 26 26 LEU H H 26 6.947 7.700 -0.753 1
1 227 . 20 1 1 A 26 26 LEU CA C 26 57.533 57.214 0.319 1
1 228 . 20 1 1 A 26 26 LEU HA H 26 3.309 2.573 0.736 1
1 229 . 20 1 1 A 26 26 LEU CB C 26 40.550 41.555 -1.005 1
1 242 . 20 1 1 A 26 26 LEU C C 26 177.318 178.317 -0.999 1
1 243 . 20 1 1 A 27 27 ILE N N 27 118.535 120.316 -1.781 1
1 244 . 20 1 1 A 27 27 ILE H H 27 7.955 8.114 -0.159 1
1 245 . 20 1 1 A 27 27 ILE CA C 27 64.986 65.257 -0.271 1
1 246 . 20 1 1 A 27 27 ILE HA H 27 3.526 3.602 -0.076 1
1 247 . 20 1 1 A 27 27 ILE CB C 27 37.335 37.851 -0.516 1
1 260 . 20 1 1 A 27 27 ILE C C 27 179.131 178.408 0.723 1
1 261 . 20 1 1 A 28 28 VAL N N 28 118.816 119.867 -1.051 1
1 262 . 20 1 1 A 28 28 VAL H H 28 7.337 8.022 -0.685 1
1 263 . 20 1 1 A 28 28 VAL CA C 28 66.188 66.334 -0.146 1
1 264 . 20 1 1 A 28 28 VAL HA H 28 3.647 3.504 0.143 1
1 265 . 20 1 1 A 28 28 VAL CB C 28 32.100 31.613 0.487 1
1 275 . 20 1 1 A 28 28 VAL C C 28 179.034 177.897 1.137 1
1 276 . 20 1 1 A 29 29 HIS N N 29 120.386 118.941 1.445 1
1 277 . 20 1 1 A 29 29 HIS H H 29 7.693 7.650 0.043 1
1 278 . 20 1 1 A 29 29 HIS CA C 29 59.203 58.895 0.308 1
1 279 . 20 1 1 A 29 29 HIS HA H 29 4.191 4.179 0.012 1
1 280 . 20 1 1 A 29 29 HIS CB C 29 28.639 29.904 -1.265 1
1 287 . 20 1 1 A 29 29 HIS C C 29 175.639 177.027 -1.388 1
1 288 . 20 1 1 A 30 30 LYS N N 30 116.039 118.520 -2.481 1
1 289 . 20 1 1 A 30 30 LYS H H 30 8.110 8.419 -0.309 1
1 290 . 20 1 1 A 30 30 LYS CA C 30 59.972 59.317 0.655 1
1 291 . 20 1 1 A 30 30 LYS HA H 30 3.744 4.152 -0.408 1
1 292 . 20 1 1 A 30 30 LYS CB C 30 31.811 32.206 -0.395 1
1 304 . 20 1 1 A 30 30 LYS C C 30 178.535 179.915 -1.380 1
1 305 . 20 1 1 A 31 31 GLY N N 31 105.302 108.211 -2.909 1
1 306 . 20 1 1 A 31 31 GLY H H 31 7.535 7.973 -0.438 1
1 307 . 20 1 1 A 31 31 GLY CA C 31 46.631 47.379 -0.748 1
1 308 . 20 1 1 A 31 31 GLY HA2 H 31 3.896 3.657 0.239 1
1 309 . 20 1 1 A 31 31 GLY HA3 H 31 4.014 3.683 0.331 1
1 310 . 20 1 1 A 31 31 GLY C C 31 175.882 176.088 -0.206 1
1 311 . 20 1 1 A 32 32 VAL N N 32 117.819 120.245 -2.426 1
1 312 . 20 1 1 A 32 32 VAL H H 32 8.006 7.845 0.161 1
1 313 . 20 1 1 A 32 32 VAL CA C 32 63.726 65.387 -1.661 1
1 314 . 20 1 1 A 32 32 VAL HA H 32 3.991 3.702 0.289 1
1 315 . 20 1 1 A 32 32 VAL CB C 32 31.119 30.990 0.129 1
1 325 . 20 1 1 A 32 32 VAL C C 32 177.331 176.913 0.418 1
1 326 . 20 1 1 A 33 33 HIS N N 33 117.685 120.206 -2.521 1
1 327 . 20 1 1 A 33 33 HIS H H 33 7.293 7.168 0.125 1
1 328 . 20 1 1 A 33 33 HIS CA C 33 55.035 58.100 -3.065 1
1 329 . 20 1 1 A 33 33 HIS HA H 33 4.877 4.516 0.361 1
1 330 . 20 1 1 A 33 33 HIS CB C 33 28.797 30.758 -1.961 1
1 337 . 20 1 1 A 33 33 HIS C C 33 175.408 177.530 -2.122 1
1 338 . 20 1 1 A 34 34 THR N N 34 112.317 113.021 -0.704 1
1 339 . 20 1 1 A 34 34 THR H H 34 7.791 8.051 -0.260 1
1 340 . 20 1 1 A 34 34 THR CA C 34 62.359 65.264 -2.905 1
1 341 . 20 1 1 A 34 34 THR HA H 34 4.379 4.150 0.229 1
1 342 . 20 1 1 A 34 34 THR CB C 34 69.838 68.437 1.401 1
1 348 . 20 1 1 A 34 34 THR C C 34 175.262 175.680 -0.418 1
1 349 . 20 1 1 A 35 35 GLY N N 35 111.103 110.644 0.459 1
1 350 . 20 1 1 A 35 35 GLY H H 35 8.318 7.279 1.039 1
1 351 . 20 1 1 A 35 35 GLY CA C 35 45.398 43.891 1.507 1
1 352 . 20 1 1 A 35 35 GLY HA2 H 35 3.994 4.030 -0.036 1
1 353 . 20 1 1 A 35 35 GLY HA3 H 35 3.994 4.042 -0.048 1
1 354 . 20 1 1 A 35 35 GLY C C 35 173.875 173.570 0.305 1
1 355 . 20 1 1 A 36 36 VAL N N 36 119.868 119.888 -0.020 1
1 356 . 20 1 1 A 36 36 VAL H H 36 7.956 8.507 -0.551 1
1 357 . 20 1 1 A 36 36 VAL CA C 36 62.215 63.424 -1.209 1
1 358 . 20 1 1 A 36 36 VAL HA H 36 4.087 3.994 0.093 1
1 359 . 20 1 1 A 36 36 VAL CB C 36 32.793 32.199 0.594 1
1 369 . 20 1 1 A 36 36 VAL C C 36 176.041 175.659 0.382 1
1 370 . 20 1 1 A 37 37 LYS N N 37 127.378 124.078 3.300 1
1 371 . 20 1 1 A 37 37 LYS H H 37 8.475 9.058 -0.583 1
1 372 . 20 1 1 A 37 37 LYS CA C 37 54.080 52.958 1.122 1
1 373 . 20 1 1 A 37 37 LYS HA H 37 4.624 4.973 -0.349 1
1 374 . 20 1 1 A 37 37 LYS CB C 37 32.545 35.540 -2.995 1
1 385 . 20 1 1 A 37 37 LYS C C 37 174.473 173.932 0.541 1
1 386 . 20 1 1 A 38 38 PRO CA C 38 63.166 62.860 0.306 1
1 387 . 20 1 1 A 38 38 PRO HA H 38 4.465 4.416 0.049 1
1 388 . 20 1 1 A 38 38 PRO CB C 38 32.220 31.823 0.397 1
1 397 . 20 1 1 A 41 41 PRO CA C 41 63.295 62.163 1.132 1
1 398 . 20 1 1 A 41 41 PRO HA H 41 4.485 4.666 -0.181 1
1 399 . 20 1 1 A 41 41 PRO CB C 41 32.225 29.768 2.457 1
1 408 . 20 1 1 A 43 43 SER CA C 43 58.583 57.477 1.106 1
1 409 . 20 1 1 A 43 43 SER HA H 43 4.460 4.644 -0.184 1
1 410 . 20 1 1 A 43 43 SER CB C 43 63.880 65.272 -1.392 1
1 413 . 20 1 1 A 43 43 SER C C 43 173.861 173.019 0.842 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 32 1.186 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.306 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.552 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.553 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.337 1
6 1 1 1 "RMS(OBS, PRED)" N 29 2.688 1
7 1 2 1 "RMS(OBS, PRED)" C 32 1.147 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.285 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.653 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.544 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.344 1
12 1 2 1 "RMS(OBS, PRED)" N 29 2.274 1
13 1 3 1 "RMS(OBS, PRED)" C 32 1.193 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.259 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.504 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.516 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.347 1
18 1 3 1 "RMS(OBS, PRED)" N 29 2.189 1
19 1 4 1 "RMS(OBS, PRED)" C 32 1.130 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.349 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.574 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.553 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.356 1
24 1 4 1 "RMS(OBS, PRED)" N 29 2.435 1
25 1 5 1 "RMS(OBS, PRED)" C 32 1.139 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.188 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.330 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.530 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.361 1
30 1 5 1 "RMS(OBS, PRED)" N 29 1.999 1
31 1 6 1 "RMS(OBS, PRED)" C 32 1.165 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.261 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.500 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.531 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.347 1
36 1 6 1 "RMS(OBS, PRED)" N 29 2.036 1
37 1 7 1 "RMS(OBS, PRED)" C 32 1.149 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.341 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.497 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.555 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.362 1
42 1 7 1 "RMS(OBS, PRED)" N 29 2.522 1
43 1 8 1 "RMS(OBS, PRED)" C 32 1.163 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.208 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.574 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.521 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.330 1
48 1 8 1 "RMS(OBS, PRED)" N 29 2.237 1
49 1 9 1 "RMS(OBS, PRED)" C 32 1.240 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.280 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.520 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.543 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.357 1
54 1 9 1 "RMS(OBS, PRED)" N 29 2.212 1
55 1 10 1 "RMS(OBS, PRED)" C 32 1.166 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.323 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.266 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.521 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.344 1
60 1 10 1 "RMS(OBS, PRED)" N 29 2.115 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.250 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.312 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.456 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.545 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.356 1
66 1 11 1 "RMS(OBS, PRED)" N 29 2.168 1
67 1 12 1 "RMS(OBS, PRED)" C 32 1.216 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.332 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.443 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.512 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.348 1
72 1 12 1 "RMS(OBS, PRED)" N 29 2.283 1
73 1 13 1 "RMS(OBS, PRED)" C 32 1.128 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.185 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.327 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.534 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.348 1
78 1 13 1 "RMS(OBS, PRED)" N 29 2.316 1
79 1 14 1 "RMS(OBS, PRED)" C 32 1.134 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.175 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.301 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.534 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.341 1
84 1 14 1 "RMS(OBS, PRED)" N 29 2.126 1
85 1 15 1 "RMS(OBS, PRED)" C 32 1.172 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.255 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.447 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.548 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.367 1
90 1 15 1 "RMS(OBS, PRED)" N 29 2.083 1
91 1 16 1 "RMS(OBS, PRED)" C 32 1.168 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.194 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.392 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.528 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.350 1
96 1 16 1 "RMS(OBS, PRED)" N 29 2.232 1
97 1 17 1 "RMS(OBS, PRED)" C 32 1.250 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.324 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.586 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.542 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.358 1
102 1 17 1 "RMS(OBS, PRED)" N 29 2.059 1
103 1 18 1 "RMS(OBS, PRED)" C 32 1.079 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.217 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.613 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.491 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.356 1
108 1 18 1 "RMS(OBS, PRED)" N 29 2.181 1
109 1 19 1 "RMS(OBS, PRED)" C 32 1.150 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.187 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.288 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.550 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.357 1
114 1 19 1 "RMS(OBS, PRED)" N 29 2.817 1
115 1 20 1 "RMS(OBS, PRED)" C 32 1.186 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.344 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.513 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.573 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.369 1
120 1 20 1 "RMS(OBS, PRED)" N 29 2.223 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 N N 7 110.455 111.237 -0.782 2
1 2 . 1 1 A 7 7 GLY H H 7 8.367 8.236 0.130 2
1 3 . 1 1 A 7 7 GLY CA C 7 45.260 44.837 0.423 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 3.916 4.092 -0.176 2
1 5 . 1 1 A 7 7 GLY HA3 H 7 3.916 4.095 -0.179 2
1 6 . 1 1 A 7 7 GLY C C 7 174.007 172.753 1.254 2
1 7 . 1 1 A 8 8 GLU N N 8 120.208 120.637 -0.429 2
1 8 . 1 1 A 8 8 GLU H H 8 8.176 8.436 -0.260 2
1 9 . 1 1 A 8 8 GLU CA C 8 56.854 55.642 1.212 2
1 10 . 1 1 A 8 8 GLU HA H 8 4.160 4.713 -0.553 2
1 11 . 1 1 A 8 8 GLU CB C 8 30.376 31.871 -1.495 2
1 17 . 1 1 A 8 8 GLU C C 8 176.369 175.607 0.762 2
1 18 . 1 1 A 9 9 LYS N N 9 121.925 123.928 -2.003 2
1 19 . 1 1 A 9 9 LYS H H 9 8.248 8.622 -0.374 2
1 20 . 1 1 A 9 9 LYS CA C 9 53.835 52.529 1.306 2
1 21 . 1 1 A 9 9 LYS HA H 9 4.472 4.872 -0.400 2
1 22 . 1 1 A 9 9 LYS CB C 9 33.228 33.482 -0.254 2
1 34 . 1 1 A 9 9 LYS C C 9 174.035 176.073 -2.038 2
1 35 . 1 1 A 10 10 PRO CA C 10 63.591 63.814 -0.223 2
1 36 . 1 1 A 10 10 PRO HA H 10 4.246 4.340 -0.094 2
1 37 . 1 1 A 10 10 PRO CB C 10 32.267 31.254 1.013 2
1 46 . 1 1 A 10 10 PRO C C 10 176.492 175.616 0.876 2
1 47 . 1 1 A 11 11 TYR N N 11 117.866 119.565 -1.699 2
1 48 . 1 1 A 11 11 TYR H H 11 7.767 7.133 0.634 2
1 49 . 1 1 A 11 11 TYR CA C 11 57.355 56.747 0.608 2
1 50 . 1 1 A 11 11 TYR HA H 11 4.731 5.347 -0.616 2
1 51 . 1 1 A 11 11 TYR CB C 11 38.877 40.582 -1.705 2
1 62 . 1 1 A 11 11 TYR C C 11 174.849 174.988 -0.139 2
1 63 . 1 1 A 12 12 SER N N 12 117.933 118.967 -1.034 2
1 64 . 1 1 A 12 12 SER H H 12 8.645 9.059 -0.414 2
1 65 . 1 1 A 12 12 SER CA C 12 57.174 56.878 0.296 2
1 66 . 1 1 A 12 12 SER HA H 12 5.270 5.597 -0.327 2
1 67 . 1 1 A 12 12 SER CB C 12 65.458 66.147 -0.689 2
1 70 . 1 1 A 12 12 SER C C 12 173.243 172.698 0.545 2
1 71 . 1 1 A 13 13 CYS N N 13 125.607 122.933 2.674 2
1 72 . 1 1 A 13 13 CYS H H 13 9.185 9.352 -0.167 2
1 73 . 1 1 A 13 13 CYS CA C 13 59.445 58.847 0.598 2
1 74 . 1 1 A 13 13 CYS HA H 13 4.513 4.808 -0.295 2
1 75 . 1 1 A 13 13 CYS CB C 13 30.133 29.241 0.892 2
1 78 . 1 1 A 13 13 CYS C C 13 176.806 174.570 2.236 2
1 79 . 1 1 A 14 14 ASN CA C 14 55.571 54.187 1.384 2
1 80 . 1 1 A 14 14 ASN HA H 14 4.532 4.968 -0.436 2
1 81 . 1 1 A 14 14 ASN CB C 14 37.747 40.360 -2.613 2
1 87 . 1 1 A 14 14 ASN C C 14 175.128 176.969 -1.841 2
1 88 . 1 1 A 15 15 GLU N N 15 121.346 119.276 2.070 2
1 89 . 1 1 A 15 15 GLU H H 15 8.862 8.147 0.715 2
1 90 . 1 1 A 15 15 GLU CA C 15 58.395 59.155 -0.760 2
1 91 . 1 1 A 15 15 GLU HA H 15 4.262 3.955 0.307 2
1 92 . 1 1 A 15 15 GLU CB C 15 29.692 29.007 0.685 2
1 98 . 1 1 A 15 15 GLU C C 15 177.050 178.236 -1.186 2
1 99 . 1 1 A 16 16 CYS N N 16 115.108 114.546 0.562 2
1 100 . 1 1 A 16 16 CYS H H 16 7.955 7.042 0.913 2
1 101 . 1 1 A 16 16 CYS CA C 16 58.406 59.363 -0.957 2
1 102 . 1 1 A 16 16 CYS HA H 16 5.166 4.487 0.679 2
1 103 . 1 1 A 16 16 CYS CB C 16 32.552 29.409 3.143 2
1 106 . 1 1 A 16 16 CYS C C 16 176.113 175.339 0.774 2
1 107 . 1 1 A 17 17 GLY N N 17 113.282 109.708 3.574 2
1 108 . 1 1 A 17 17 GLY H H 17 8.210 7.581 0.629 2
1 109 . 1 1 A 17 17 GLY CA C 17 46.158 44.734 1.424 2
1 110 . 1 1 A 17 17 GLY HA2 H 17 4.229 4.072 0.157 2
1 111 . 1 1 A 17 17 GLY HA3 H 17 3.869 4.088 -0.219 2
1 112 . 1 1 A 17 17 GLY C C 17 174.168 172.302 1.866 2
1 113 . 1 1 A 18 18 LYS N N 18 123.728 123.743 -0.015 2
1 114 . 1 1 A 18 18 LYS H H 18 8.024 8.386 -0.362 2
1 115 . 1 1 A 18 18 LYS CA C 18 58.388 55.340 3.048 2
1 116 . 1 1 A 18 18 LYS HA H 18 3.899 4.633 -0.734 2
1 117 . 1 1 A 18 18 LYS CB C 18 33.570 35.757 -2.187 2
1 129 . 1 1 A 18 18 LYS C C 18 173.522 174.186 -0.664 2
1 130 . 1 1 A 19 19 ALA N N 19 124.052 123.263 0.789 2
1 131 . 1 1 A 19 19 ALA H H 19 7.694 8.410 -0.716 2
1 132 . 1 1 A 19 19 ALA CA C 19 50.399 49.971 0.428 2
1 133 . 1 1 A 19 19 ALA HA H 19 5.061 5.474 -0.413 2
1 134 . 1 1 A 19 19 ALA CB C 19 22.152 23.447 -1.295 2
1 138 . 1 1 A 19 19 ALA C C 19 176.089 175.092 0.997 2
1 139 . 1 1 A 20 20 PHE N N 20 116.696 116.407 0.289 2
1 140 . 1 1 A 20 20 PHE H H 20 8.620 9.093 -0.473 2
1 141 . 1 1 A 20 20 PHE CA C 20 57.273 56.623 0.650 2
1 142 . 1 1 A 20 20 PHE HA H 20 4.731 4.873 -0.142 2
1 143 . 1 1 A 20 20 PHE CB C 20 43.640 43.175 0.465 2
1 156 . 1 1 A 20 20 PHE C C 20 174.983 175.628 -0.645 2
1 157 . 1 1 A 21 21 THR N N 21 118.634 116.152 2.482 2
1 158 . 1 1 A 21 21 THR H H 21 8.744 8.821 -0.077 2
1 159 . 1 1 A 21 21 THR CA C 21 66.285 64.243 2.041 2
1 160 . 1 1 A 21 21 THR HA H 21 4.059 4.422 -0.363 2
1 161 . 1 1 A 21 21 THR CB C 21 69.676 69.364 0.312 2
1 167 . 1 1 A 21 21 THR C C 21 173.364 174.991 -1.627 2
1 168 . 1 1 A 22 22 PHE N N 22 114.894 117.748 -2.854 2
1 169 . 1 1 A 22 22 PHE H H 22 7.843 8.084 -0.241 2
1 170 . 1 1 A 22 22 PHE CA C 22 55.721 56.595 -0.874 2
1 171 . 1 1 A 22 22 PHE HA H 22 5.181 4.770 0.411 2
1 172 . 1 1 A 22 22 PHE CB C 22 42.090 41.690 0.400 2
1 185 . 1 1 A 22 22 PHE C C 22 176.381 175.473 0.908 2
1 186 . 1 1 A 23 23 LYS N N 23 127.457 123.570 3.887 2
1 187 . 1 1 A 23 23 LYS H H 23 8.657 8.293 0.364 2
1 188 . 1 1 A 23 23 LYS CA C 23 59.680 59.643 0.037 2
1 189 . 1 1 A 23 23 LYS HA H 23 3.019 3.307 -0.288 2
1 190 . 1 1 A 23 23 LYS CB C 23 31.653 32.221 -0.568 2
1 202 . 1 1 A 23 23 LYS C C 23 178.376 177.969 0.407 2
1 203 . 1 1 A 24 24 SER N N 24 112.175 114.589 -2.414 2
1 204 . 1 1 A 24 24 SER H H 24 8.574 8.253 0.321 2
1 205 . 1 1 A 24 24 SER CA C 24 60.972 61.615 -0.643 2
1 206 . 1 1 A 24 24 SER HA H 24 3.910 4.110 -0.200 2
1 207 . 1 1 A 24 24 SER CB C 24 61.493 62.706 -1.213 2
1 210 . 1 1 A 24 24 SER C C 24 176.806 176.978 -0.172 2
1 211 . 1 1 A 25 25 GLN N N 25 119.551 120.551 -1.000 2
1 212 . 1 1 A 25 25 GLN H H 25 6.928 8.273 -1.345 2
1 213 . 1 1 A 25 25 GLN CA C 25 57.625 58.812 -1.187 2
1 214 . 1 1 A 25 25 GLN HA H 25 3.953 3.942 0.011 2
1 215 . 1 1 A 25 25 GLN CB C 25 28.886 28.293 0.593 2
1 224 . 1 1 A 25 25 GLN C C 25 178.754 177.878 0.876 2
1 225 . 1 1 A 26 26 LEU N N 26 122.090 120.255 1.835 2
1 226 . 1 1 A 26 26 LEU H H 26 6.947 7.845 -0.898 2
1 227 . 1 1 A 26 26 LEU CA C 26 57.533 57.084 0.449 2
1 228 . 1 1 A 26 26 LEU HA H 26 3.309 2.788 0.521 2
1 229 . 1 1 A 26 26 LEU CB C 26 40.550 41.620 -1.070 2
1 242 . 1 1 A 26 26 LEU C C 26 177.318 178.521 -1.203 2
1 243 . 1 1 A 27 27 ILE N N 27 118.535 119.434 -0.899 2
1 244 . 1 1 A 27 27 ILE H H 27 7.955 7.993 -0.038 2
1 245 . 1 1 A 27 27 ILE CA C 27 64.986 65.215 -0.229 2
1 246 . 1 1 A 27 27 ILE HA H 27 3.526 3.570 -0.044 2
1 247 . 1 1 A 27 27 ILE CB C 27 37.335 37.582 -0.247 2
1 260 . 1 1 A 27 27 ILE C C 27 179.131 178.245 0.886 2
1 261 . 1 1 A 28 28 VAL N N 28 118.816 120.237 -1.421 2
1 262 . 1 1 A 28 28 VAL H H 28 7.337 7.829 -0.492 2
1 263 . 1 1 A 28 28 VAL CA C 28 66.188 66.284 -0.096 2
1 264 . 1 1 A 28 28 VAL HA H 28 3.647 3.499 0.148 2
1 265 . 1 1 A 28 28 VAL CB C 28 32.100 31.632 0.468 2
1 275 . 1 1 A 28 28 VAL C C 28 179.034 177.959 1.075 2
1 276 . 1 1 A 29 29 HIS N N 29 120.386 119.078 1.308 2
1 277 . 1 1 A 29 29 HIS H H 29 7.693 7.683 0.010 2
1 278 . 1 1 A 29 29 HIS CA C 29 59.203 59.215 -0.012 2
1 279 . 1 1 A 29 29 HIS HA H 29 4.191 4.167 0.024 2
1 280 . 1 1 A 29 29 HIS CB C 29 28.639 29.814 -1.175 2
1 287 . 1 1 A 29 29 HIS C C 29 175.639 177.085 -1.446 2
1 288 . 1 1 A 30 30 LYS N N 30 116.039 118.320 -2.281 2
1 289 . 1 1 A 30 30 LYS H H 30 8.110 8.294 -0.184 2
1 290 . 1 1 A 30 30 LYS CA C 30 59.972 59.161 0.811 2
1 291 . 1 1 A 30 30 LYS HA H 30 3.744 4.040 -0.296 2
1 292 . 1 1 A 30 30 LYS CB C 30 31.811 32.210 -0.399 2
1 304 . 1 1 A 30 30 LYS C C 30 178.535 179.876 -1.341 2
1 305 . 1 1 A 31 31 GLY N N 31 105.302 108.100 -2.798 2
1 306 . 1 1 A 31 31 GLY H H 31 7.535 7.998 -0.463 2
1 307 . 1 1 A 31 31 GLY CA C 31 46.631 47.194 -0.563 2
1 308 . 1 1 A 31 31 GLY HA2 H 31 3.896 3.670 0.226 2
1 309 . 1 1 A 31 31 GLY HA3 H 31 4.014 3.691 0.323 2
1 310 . 1 1 A 31 31 GLY C C 31 175.882 176.185 -0.303 2
1 311 . 1 1 A 32 32 VAL N N 32 117.819 119.941 -2.122 2
1 312 . 1 1 A 32 32 VAL H H 32 8.006 7.791 0.215 2
1 313 . 1 1 A 32 32 VAL CA C 32 63.726 65.554 -1.828 2
1 314 . 1 1 A 32 32 VAL HA H 32 3.991 3.714 0.277 2
1 315 . 1 1 A 32 32 VAL CB C 32 31.119 31.056 0.062 2
1 325 . 1 1 A 32 32 VAL C C 32 177.331 177.342 -0.011 2
1 326 . 1 1 A 33 33 HIS N N 33 117.685 119.718 -2.033 2
1 327 . 1 1 A 33 33 HIS H H 33 7.293 7.261 0.032 2
1 328 . 1 1 A 33 33 HIS CA C 33 55.035 58.235 -3.200 2
1 329 . 1 1 A 33 33 HIS HA H 33 4.877 4.472 0.405 2
1 330 . 1 1 A 33 33 HIS CB C 33 28.797 30.969 -2.172 2
1 337 . 1 1 A 33 33 HIS C C 33 175.408 176.231 -0.823 2
1 338 . 1 1 A 34 34 THR N N 34 112.317 110.976 1.341 2
1 339 . 1 1 A 34 34 THR H H 34 7.791 7.702 0.089 2
1 340 . 1 1 A 34 34 THR CA C 34 62.359 62.679 -0.320 2
1 341 . 1 1 A 34 34 THR HA H 34 4.379 4.177 0.202 2
1 342 . 1 1 A 34 34 THR CB C 34 69.838 68.552 1.286 2
1 348 . 1 1 A 34 34 THR C C 34 175.262 174.788 0.474 2
1 349 . 1 1 A 35 35 GLY N N 35 111.103 111.932 -0.829 2
1 350 . 1 1 A 35 35 GLY H H 35 8.318 8.291 0.027 2
1 351 . 1 1 A 35 35 GLY CA C 35 45.398 45.519 -0.121 2
1 352 . 1 1 A 35 35 GLY HA2 H 35 3.994 4.046 -0.052 2
1 353 . 1 1 A 35 35 GLY HA3 H 35 3.994 4.053 -0.059 2
1 354 . 1 1 A 35 35 GLY C C 35 173.875 173.662 0.213 2
1 355 . 1 1 A 36 36 VAL N N 36 119.868 120.250 -0.382 2
1 356 . 1 1 A 36 36 VAL H H 36 7.956 8.119 -0.163 2
1 357 . 1 1 A 36 36 VAL CA C 36 62.215 61.768 0.447 2
1 358 . 1 1 A 36 36 VAL HA H 36 4.087 4.298 -0.211 2
1 359 . 1 1 A 36 36 VAL CB C 36 32.793 32.965 -0.172 2
1 369 . 1 1 A 36 36 VAL C C 36 176.041 174.834 1.207 2
1 370 . 1 1 A 37 37 LYS N N 37 127.378 125.310 2.068 2
1 371 . 1 1 A 37 37 LYS H H 37 8.475 8.480 -0.005 2
1 372 . 1 1 A 37 37 LYS CA C 37 54.080 53.123 0.956 2
1 373 . 1 1 A 37 37 LYS HA H 37 4.624 4.821 -0.197 2
1 374 . 1 1 A 37 37 LYS CB C 37 32.545 35.317 -2.772 2
1 385 . 1 1 A 37 37 LYS C C 37 174.473 174.510 -0.037 2
1 386 . 1 1 A 38 38 PRO CA C 38 63.166 62.929 0.237 2
1 387 . 1 1 A 38 38 PRO HA H 38 4.465 4.566 -0.101 2
1 388 . 1 1 A 38 38 PRO CB C 38 32.220 32.044 0.175 2
1 397 . 1 1 A 41 41 PRO CA C 41 63.295 63.118 0.177 2
1 398 . 1 1 A 41 41 PRO HA H 41 4.485 4.525 -0.040 2
1 399 . 1 1 A 41 41 PRO CB C 41 32.225 31.690 0.535 2
1 408 . 1 1 A 43 43 SER CA C 43 58.583 58.041 0.542 2
1 409 . 1 1 A 43 43 SER HA H 43 4.460 4.663 -0.203 2
1 410 . 1 1 A 43 43 SER CB C 43 63.880 63.975 -0.095 2
1 413 . 1 1 A 43 43 SER C C 43 173.861 174.163 -0.302 2
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