data_10158_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10158
_Entry.PDB_ID 2EOU
_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 CA C 7 45.366 45.584 -0.218 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.975 4.031 -0.056 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.840 174.582 -0.742 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 3.975 4.023 -0.048 1
1 5 . 1 1 1 A 8 8 ALA N N 8 123.813 129.169 -5.356 1
1 6 . 1 1 1 A 8 8 ALA H H 8 8.108 8.483 -0.375 1
1 7 . 1 1 1 A 8 8 ALA CA C 8 52.400 50.821 1.579 1
1 8 . 1 1 1 A 8 8 ALA HA H 8 4.317 4.648 -0.331 1
1 9 . 1 1 1 A 8 8 ALA CB C 8 19.299 19.010 0.289 1
1 13 . 1 1 1 A 8 8 ALA C C 8 177.523 176.739 0.784 1
1 14 . 1 1 1 A 9 9 ALA N N 9 123.426 117.171 6.255 1
1 15 . 1 1 1 A 9 9 ALA H H 9 8.272 7.871 0.401 1
1 16 . 1 1 1 A 9 9 ALA CA C 9 52.433 53.187 -0.754 1
1 17 . 1 1 1 A 9 9 ALA HA H 9 4.313 3.965 0.348 1
1 18 . 1 1 1 A 9 9 ALA CB C 9 19.254 17.364 1.890 1
1 22 . 1 1 1 A 9 9 ALA C C 9 177.795 175.902 1.893 1
1 23 . 1 1 1 A 10 10 LYS N N 10 120.933 115.819 5.114 1
1 24 . 1 1 1 A 10 10 LYS H H 10 8.368 7.655 0.713 1
1 25 . 1 1 1 A 10 10 LYS CA C 10 56.323 55.766 0.557 1
1 26 . 1 1 1 A 10 10 LYS HA H 10 4.427 4.579 -0.152 1
1 27 . 1 1 1 A 10 10 LYS CB C 10 33.105 35.808 -2.703 1
1 35 . 1 1 1 A 10 10 LYS C C 10 176.978 174.426 2.552 1
1 40 . 1 1 1 A 11 11 THR N N 11 114.437 117.078 -2.641 1
1 41 . 1 1 1 A 11 11 THR H H 11 8.308 8.549 -0.241 1
1 42 . 1 1 1 A 11 11 THR CA C 11 61.617 62.365 -0.748 1
1 43 . 1 1 1 A 11 11 THR HA H 11 4.472 4.297 0.175 1
1 44 . 1 1 1 A 11 11 THR CB C 11 69.821 69.210 0.611 1
1 50 . 1 1 1 A 11 11 THR C C 11 174.562 174.644 -0.082 1
1 51 . 1 1 1 A 12 12 THR N N 12 114.598 119.282 -4.684 1
1 52 . 1 1 1 A 12 12 THR H H 12 7.915 8.928 -1.013 1
1 53 . 1 1 1 A 12 12 THR CA C 12 61.451 60.851 0.600 1
1 54 . 1 1 1 A 12 12 THR HA H 12 4.492 4.986 -0.494 1
1 55 . 1 1 1 A 12 12 THR CB C 12 70.427 73.191 -2.764 1
1 61 . 1 1 1 A 12 12 THR C C 12 174.236 173.557 0.679 1
1 62 . 1 1 1 A 13 13 SER N N 13 117.902 120.675 -2.773 1
1 63 . 1 1 1 A 13 13 SER H H 13 8.580 8.573 0.007 1
1 64 . 1 1 1 A 13 13 SER CA C 13 58.138 57.949 0.189 1
1 65 . 1 1 1 A 13 13 SER HA H 13 4.684 4.669 0.015 1
1 66 . 1 1 1 A 13 13 SER CB C 13 65.065 61.512 3.553 1
1 68 . 1 1 1 A 13 13 SER C C 13 172.108 173.532 -1.424 1
1 70 . 1 1 1 A 14 14 GLU N N 14 124.193 124.270 -0.077 1
1 71 . 1 1 1 A 14 14 GLU H H 14 8.386 8.328 0.058 1
1 72 . 1 1 1 A 14 14 GLU CA C 14 54.181 56.470 -2.289 1
1 73 . 1 1 1 A 14 14 GLU HA H 14 5.048 4.921 0.127 1
1 74 . 1 1 1 A 14 14 GLU CB C 14 33.085 30.847 2.238 1
1 78 . 1 1 1 A 14 14 GLU C C 14 175.059 176.534 -1.475 1
1 81 . 1 1 1 A 15 15 CYS N N 15 126.927 125.372 1.555 1
1 82 . 1 1 1 A 15 15 CYS H H 15 9.263 9.111 0.152 1
1 83 . 1 1 1 A 15 15 CYS CA C 15 59.573 59.273 0.300 1
1 84 . 1 1 1 A 15 15 CYS HA H 15 4.562 4.640 -0.078 1
1 85 . 1 1 1 A 15 15 CYS CB C 15 29.667 28.132 1.535 1
1 87 . 1 1 1 A 15 15 CYS C C 15 177.427 176.155 1.272 1
1 89 . 1 1 1 A 16 16 GLN N N 16 131.467 126.988 4.479 1
1 90 . 1 1 1 A 16 16 GLN H H 16 9.521 8.730 0.791 1
1 91 . 1 1 1 A 16 16 GLN CA C 16 57.973 57.985 -0.012 1
1 92 . 1 1 1 A 16 16 GLN HA H 16 4.175 4.092 0.083 1
1 93 . 1 1 1 A 16 16 GLN CB C 16 28.562 28.077 0.485 1
1 100 . 1 1 1 A 16 16 GLN C C 16 176.140 177.975 -1.835 1
1 103 . 1 1 1 A 17 17 GLU N N 17 120.316 118.528 1.788 1
1 104 . 1 1 1 A 17 17 GLU H H 17 8.682 7.980 0.702 1
1 105 . 1 1 1 A 17 17 GLU CA C 17 58.362 59.132 -0.770 1
1 106 . 1 1 1 A 17 17 GLU HA H 17 4.233 4.034 0.199 1
1 107 . 1 1 1 A 17 17 GLU CB C 17 29.552 29.632 -0.080 1
1 111 . 1 1 1 A 17 17 GLU C C 17 177.303 177.993 -0.690 1
1 114 . 1 1 1 A 18 18 CYS N N 18 114.810 115.020 -0.210 1
1 115 . 1 1 1 A 18 18 CYS H H 18 8.042 7.967 0.075 1
1 116 . 1 1 1 A 18 18 CYS CA C 18 58.513 59.513 -1.000 1
1 117 . 1 1 1 A 18 18 CYS HA H 18 5.154 4.709 0.445 1
1 118 . 1 1 1 A 18 18 CYS CB C 18 32.408 30.106 2.302 1
1 120 . 1 1 1 A 18 18 CYS C C 18 176.323 175.574 0.749 1
1 122 . 1 1 1 A 19 19 GLY N N 19 113.476 110.103 3.373 1
1 123 . 1 1 1 A 19 19 GLY H H 19 8.183 8.417 -0.234 1
1 124 . 1 1 1 A 19 19 GLY CA C 19 46.149 45.546 0.603 1
1 125 . 1 1 1 A 19 19 GLY HA3 H 19 4.200 4.050 0.150 1
1 126 . 1 1 1 A 19 19 GLY C C 19 173.814 174.351 -0.537 1
1 127 . 1 1 1 A 19 19 GLY HA2 H 19 3.921 4.043 -0.122 1
1 128 . 1 1 1 A 20 20 LYS N N 20 122.183 120.168 2.015 1
1 129 . 1 1 1 A 20 20 LYS H H 20 7.830 7.715 0.115 1
1 130 . 1 1 1 A 20 20 LYS CA C 20 58.063 54.619 3.444 1
1 131 . 1 1 1 A 20 20 LYS HA H 20 3.979 4.502 -0.523 1
1 132 . 1 1 1 A 20 20 LYS CB C 20 34.034 34.310 -0.276 1
1 140 . 1 1 1 A 20 20 LYS C C 20 174.133 175.186 -1.053 1
1 145 . 1 1 1 A 21 21 ILE N N 21 120.927 127.506 -6.579 1
1 146 . 1 1 1 A 21 21 ILE H H 21 7.770 8.429 -0.659 1
1 147 . 1 1 1 A 21 21 ILE CA C 21 60.180 61.058 -0.878 1
1 148 . 1 1 1 A 21 21 ILE HA H 21 4.452 4.220 0.232 1
1 149 . 1 1 1 A 21 21 ILE CB C 21 39.694 37.868 1.826 1
1 161 . 1 1 1 A 21 21 ILE C C 21 175.461 174.930 0.531 1
1 163 . 1 1 1 A 22 22 PHE N N 22 123.258 125.796 -2.538 1
1 164 . 1 1 1 A 22 22 PHE H H 22 8.648 8.879 -0.231 1
1 165 . 1 1 1 A 22 22 PHE CA C 22 56.828 56.430 0.398 1
1 166 . 1 1 1 A 22 22 PHE HA H 22 4.710 4.899 -0.189 1
1 167 . 1 1 1 A 22 22 PHE CB C 22 43.452 41.770 1.682 1
1 179 . 1 1 1 A 22 22 PHE C C 22 176.151 175.838 0.313 1
1 181 . 1 1 1 A 23 23 ARG N N 23 119.153 125.746 -6.593 1
1 182 . 1 1 1 A 23 23 ARG H H 23 9.094 8.932 0.162 1
1 183 . 1 1 1 A 23 23 ARG CA C 23 57.288 59.727 -2.439 1
1 184 . 1 1 1 A 23 23 ARG HA H 23 4.241 3.967 0.274 1
1 185 . 1 1 1 A 23 23 ARG CB C 23 30.571 30.414 0.157 1
1 191 . 1 1 1 A 23 23 ARG C C 23 174.928 176.017 -1.089 1
1 195 . 1 1 1 A 24 24 HIS N N 24 113.877 113.498 0.379 1
1 196 . 1 1 1 A 24 24 HIS H H 24 7.141 7.458 -0.317 1
1 197 . 1 1 1 A 24 24 HIS CA C 24 56.129 53.733 2.396 1
1 198 . 1 1 1 A 24 24 HIS HA H 24 4.863 4.903 -0.040 1
1 199 . 1 1 1 A 24 24 HIS CB C 24 34.501 32.205 2.296 1
1 205 . 1 1 1 A 24 24 HIS C C 24 176.303 176.202 0.101 1
1 207 . 1 1 1 A 25 25 SER CA C 25 61.779 62.498 -0.719 1
1 208 . 1 1 1 A 25 25 SER HA H 25 4.060 3.978 0.082 1
1 209 . 1 1 1 A 25 25 SER CB C 25 62.462 62.813 -0.351 1
1 212 . 1 1 1 A 26 26 SER N N 26 119.893 116.618 3.275 1
1 213 . 1 1 1 A 26 26 SER H H 26 9.650 8.233 1.417 1
1 214 . 1 1 1 A 26 26 SER CA C 26 61.866 62.524 -0.658 1
1 215 . 1 1 1 A 26 26 SER HA H 26 3.950 4.161 -0.211 1
1 216 . 1 1 1 A 26 26 SER CB C 26 61.788 62.696 -0.908 1
1 218 . 1 1 1 A 26 26 SER C C 26 176.964 176.464 0.500 1
1 220 . 1 1 1 A 27 27 LEU N N 27 121.674 120.419 1.255 1
1 221 . 1 1 1 A 27 27 LEU H H 27 7.141 7.676 -0.535 1
1 222 . 1 1 1 A 27 27 LEU CA C 27 56.669 57.969 -1.300 1
1 223 . 1 1 1 A 27 27 LEU HA H 27 4.170 3.812 0.358 1
1 224 . 1 1 1 A 27 27 LEU CB C 27 41.962 41.528 0.434 1
1 236 . 1 1 1 A 27 27 LEU C C 27 179.312 179.028 0.284 1
1 238 . 1 1 1 A 28 28 LEU N N 28 121.976 119.203 2.773 1
1 239 . 1 1 1 A 28 28 LEU H H 28 7.075 7.882 -0.807 1
1 240 . 1 1 1 A 28 28 LEU CA C 28 57.616 57.483 0.133 1
1 241 . 1 1 1 A 28 28 LEU HA H 28 3.216 2.796 0.420 1
1 242 . 1 1 1 A 28 28 LEU CB C 28 40.475 41.359 -0.884 1
1 254 . 1 1 1 A 28 28 LEU C C 28 177.651 178.356 -0.705 1
1 256 . 1 1 1 A 29 29 ILE N N 29 119.789 119.247 0.542 1
1 257 . 1 1 1 A 29 29 ILE H H 29 7.956 8.347 -0.391 1
1 258 . 1 1 1 A 29 29 ILE CA C 29 64.818 65.323 -0.505 1
1 259 . 1 1 1 A 29 29 ILE HA H 29 3.770 3.482 0.288 1
1 260 . 1 1 1 A 29 29 ILE CB C 29 37.729 37.886 -0.157 1
1 272 . 1 1 1 A 29 29 ILE C C 29 179.269 178.060 1.209 1
1 274 . 1 1 1 A 30 30 GLU N N 30 119.089 119.509 -0.420 1
1 275 . 1 1 1 A 30 30 GLU H H 30 7.425 8.011 -0.586 1
1 276 . 1 1 1 A 30 30 GLU CA C 30 59.239 59.421 -0.182 1
1 277 . 1 1 1 A 30 30 GLU HA H 30 4.030 3.977 0.053 1
1 278 . 1 1 1 A 30 30 GLU CB C 30 29.976 29.273 0.703 1
1 282 . 1 1 1 A 30 30 GLU C C 30 178.534 178.585 -0.051 1
1 285 . 1 1 1 A 31 31 HIS N N 31 118.679 120.411 -1.732 1
1 286 . 1 1 1 A 31 31 HIS H H 31 7.493 7.834 -0.341 1
1 287 . 1 1 1 A 31 31 HIS CA C 31 58.956 59.574 -0.618 1
1 288 . 1 1 1 A 31 31 HIS HA H 31 4.224 4.143 0.081 1
1 289 . 1 1 1 A 31 31 HIS CB C 31 28.605 29.297 -0.692 1
1 295 . 1 1 1 A 31 31 HIS C C 31 176.314 177.198 -0.884 1
1 297 . 1 1 1 A 32 32 GLN N N 32 116.911 117.561 -0.650 1
1 298 . 1 1 1 A 32 32 GLN H H 32 8.454 8.589 -0.135 1
1 299 . 1 1 1 A 32 32 GLN CA C 32 59.194 59.040 0.154 1
1 300 . 1 1 1 A 32 32 GLN HA H 32 3.772 3.865 -0.093 1
1 301 . 1 1 1 A 32 32 GLN CB C 32 28.057 28.170 -0.113 1
1 308 . 1 1 1 A 32 32 GLN C C 32 178.135 178.093 0.042 1
1 311 . 1 1 1 A 33 33 ALA N N 33 121.580 121.579 0.001 1
1 312 . 1 1 1 A 33 33 ALA H H 33 7.279 7.547 -0.268 1
1 313 . 1 1 1 A 33 33 ALA CA C 33 54.593 54.937 -0.344 1
1 314 . 1 1 1 A 33 33 ALA HA H 33 4.163 4.062 0.101 1
1 315 . 1 1 1 A 33 33 ALA CB C 33 18.182 18.479 -0.297 1
1 319 . 1 1 1 A 33 33 ALA C C 33 179.581 179.799 -0.218 1
1 320 . 1 1 1 A 34 34 LEU N N 34 117.524 116.819 0.705 1
1 321 . 1 1 1 A 34 34 LEU H H 34 7.733 7.592 0.141 1
1 322 . 1 1 1 A 34 34 LEU CA C 34 56.653 57.851 -1.198 1
1 323 . 1 1 1 A 34 34 LEU HA H 34 4.058 3.892 0.166 1
1 324 . 1 1 1 A 34 34 LEU CB C 34 41.217 41.188 0.029 1
1 336 . 1 1 1 A 34 34 LEU C C 34 179.011 178.464 0.547 1
1 338 . 1 1 1 A 35 35 HIS N N 35 115.390 118.143 -2.753 1
1 339 . 1 1 1 A 35 35 HIS H H 35 7.175 7.986 -0.811 1
1 340 . 1 1 1 A 35 35 HIS CA C 35 55.525 58.978 -3.453 1
1 341 . 1 1 1 A 35 35 HIS HA H 35 4.738 4.377 0.361 1
1 342 . 1 1 1 A 35 35 HIS CB C 35 28.715 29.387 -0.672 1
1 348 . 1 1 1 A 35 35 HIS C C 35 175.385 176.675 -1.290 1
1 350 . 1 1 1 A 36 36 ALA N N 36 122.651 119.887 2.764 1
1 351 . 1 1 1 A 36 36 ALA H H 36 7.634 7.436 0.198 1
1 352 . 1 1 1 A 36 36 ALA CA C 36 53.281 53.979 -0.698 1
1 353 . 1 1 1 A 36 36 ALA HA H 36 4.328 3.951 0.377 1
1 354 . 1 1 1 A 36 36 ALA CB C 36 19.154 18.507 0.647 1
1 358 . 1 1 1 A 36 36 ALA C C 36 178.273 177.980 0.293 1
1 359 . 1 1 1 A 37 37 GLY N N 37 107.266 110.593 -3.327 1
1 360 . 1 1 1 A 37 37 GLY H H 37 8.163 8.488 -0.325 1
1 361 . 1 1 1 A 37 37 GLY CA C 37 45.358 45.434 -0.076 1
1 362 . 1 1 1 A 37 37 GLY HA3 H 37 3.964 4.042 -0.078 1
1 363 . 1 1 1 A 37 37 GLY C C 37 174.369 174.386 -0.017 1
1 364 . 1 1 1 A 37 37 GLY HA2 H 37 4.027 4.040 -0.013 1
1 365 . 1 1 1 A 38 38 GLU N N 38 120.486 120.095 0.391 1
1 366 . 1 1 1 A 38 38 GLU H H 38 8.160 7.647 0.513 1
1 367 . 1 1 1 A 38 38 GLU CA C 38 56.658 55.194 1.464 1
1 368 . 1 1 1 A 38 38 GLU HA H 38 4.357 4.433 -0.076 1
1 369 . 1 1 1 A 38 38 GLU CB C 38 30.381 30.871 -0.490 1
1 373 . 1 1 1 A 38 38 GLU C C 38 176.730 176.028 0.702 1
1 376 . 1 1 1 A 39 39 SER N N 39 116.555 114.038 2.517 1
1 377 . 1 1 1 A 39 39 SER H H 39 8.391 8.526 -0.135 1
1 378 . 1 1 1 A 39 39 SER CA C 39 58.397 56.767 1.630 1
1 379 . 1 1 1 A 39 39 SER HA H 39 4.515 5.207 -0.692 1
1 380 . 1 1 1 A 39 39 SER CB C 39 63.960 64.584 -0.624 1
1 382 . 1 1 1 A 39 39 SER C C 39 174.602 174.764 -0.162 1
1 384 . 1 1 1 A 40 40 GLY N N 40 110.681 110.281 0.400 1
1 385 . 1 1 1 A 40 40 GLY H H 40 8.239 8.884 -0.645 1
1 386 . 1 1 1 A 40 40 GLY CA C 40 44.666 44.483 0.183 1
1 387 . 1 1 1 A 40 40 GLY HA3 H 40 4.087 4.023 0.064 1
1 388 . 1 1 1 A 40 40 GLY C C 40 171.769 173.242 -1.473 1
1 389 . 1 1 1 A 40 40 GLY HA2 H 40 4.185 4.019 0.166 1
1 390 . 1 1 1 A 41 41 PRO CA C 41 63.229 62.329 0.900 1
1 391 . 1 1 1 A 41 41 PRO HA H 41 4.489 4.715 -0.226 1
1 392 . 1 1 1 A 41 41 PRO CB C 41 32.192 29.909 2.283 1
1 398 . 1 1 1 A 41 41 PRO C C 41 177.375 176.310 1.065 1
1 402 . 1 1 1 A 42 42 SER N N 42 116.504 119.532 -3.028 1
1 403 . 1 1 1 A 42 42 SER H H 42 8.544 8.301 0.243 1
1 404 . 1 1 1 A 42 42 SER CA C 42 58.364 58.800 -0.436 1
1 405 . 1 1 1 A 42 42 SER HA H 42 4.470 4.389 0.081 1
1 406 . 1 1 1 A 42 42 SER CB C 42 64.062 64.096 -0.034 1
1 408 . 1 1 1 A 42 42 SER C C 42 174.704 174.442 0.262 1
1 410 . 1 1 1 A 43 43 SER N N 43 117.992 124.506 -6.514 1
1 411 . 1 1 1 A 43 43 SER H H 43 8.358 9.016 -0.658 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.366 45.740 -0.374 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.975 4.053 -0.078 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.840 174.433 -0.593 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 3.975 4.044 -0.069 1
1 5 . 2 1 1 A 8 8 ALA N N 8 123.813 123.452 0.361 1
1 6 . 2 1 1 A 8 8 ALA H H 8 8.108 8.186 -0.078 1
1 7 . 2 1 1 A 8 8 ALA CA C 8 52.400 53.050 -0.650 1
1 8 . 2 1 1 A 8 8 ALA HA H 8 4.317 4.560 -0.243 1
1 9 . 2 1 1 A 8 8 ALA CB C 8 19.299 20.775 -1.476 1
1 13 . 2 1 1 A 8 8 ALA C C 8 177.523 178.092 -0.569 1
1 14 . 2 1 1 A 9 9 ALA N N 9 123.426 119.907 3.519 1
1 15 . 2 1 1 A 9 9 ALA H H 9 8.272 8.000 0.272 1
1 16 . 2 1 1 A 9 9 ALA CA C 9 52.433 55.464 -3.031 1
1 17 . 2 1 1 A 9 9 ALA HA H 9 4.313 4.082 0.231 1
1 18 . 2 1 1 A 9 9 ALA CB C 9 19.254 18.690 0.564 1
1 22 . 2 1 1 A 9 9 ALA C C 9 177.795 178.506 -0.711 1
1 23 . 2 1 1 A 10 10 LYS N N 10 120.933 117.081 3.852 1
1 24 . 2 1 1 A 10 10 LYS H H 10 8.368 7.653 0.715 1
1 25 . 2 1 1 A 10 10 LYS CA C 10 56.323 56.180 0.143 1
1 26 . 2 1 1 A 10 10 LYS HA H 10 4.427 4.372 0.055 1
1 27 . 2 1 1 A 10 10 LYS CB C 10 33.105 32.783 0.322 1
1 35 . 2 1 1 A 10 10 LYS C C 10 176.978 177.524 -0.546 1
1 40 . 2 1 1 A 11 11 THR N N 11 114.437 113.839 0.598 1
1 41 . 2 1 1 A 11 11 THR H H 11 8.308 8.718 -0.410 1
1 42 . 2 1 1 A 11 11 THR CA C 11 61.617 61.425 0.192 1
1 43 . 2 1 1 A 11 11 THR HA H 11 4.472 4.521 -0.049 1
1 44 . 2 1 1 A 11 11 THR CB C 11 69.821 68.870 0.951 1
1 50 . 2 1 1 A 11 11 THR C C 11 174.562 174.527 0.035 1
1 51 . 2 1 1 A 12 12 THR N N 12 114.598 119.861 -5.263 1
1 52 . 2 1 1 A 12 12 THR H H 12 7.915 7.391 0.524 1
1 53 . 2 1 1 A 12 12 THR CA C 12 61.451 62.716 -1.265 1
1 54 . 2 1 1 A 12 12 THR HA H 12 4.492 4.364 0.128 1
1 55 . 2 1 1 A 12 12 THR CB C 12 70.427 69.853 0.574 1
1 61 . 2 1 1 A 12 12 THR C C 12 174.236 174.917 -0.681 1
1 62 . 2 1 1 A 13 13 SER N N 13 117.902 121.620 -3.718 1
1 63 . 2 1 1 A 13 13 SER H H 13 8.580 8.772 -0.192 1
1 64 . 2 1 1 A 13 13 SER CA C 13 58.138 58.028 0.110 1
1 65 . 2 1 1 A 13 13 SER HA H 13 4.684 4.637 0.047 1
1 66 . 2 1 1 A 13 13 SER CB C 13 65.065 61.370 3.695 1
1 68 . 2 1 1 A 13 13 SER C C 13 172.108 173.582 -1.474 1
1 70 . 2 1 1 A 14 14 GLU N N 14 124.193 124.056 0.137 1
1 71 . 2 1 1 A 14 14 GLU H H 14 8.386 8.684 -0.298 1
1 72 . 2 1 1 A 14 14 GLU CA C 14 54.181 56.698 -2.517 1
1 73 . 2 1 1 A 14 14 GLU HA H 14 5.048 4.849 0.199 1
1 74 . 2 1 1 A 14 14 GLU CB C 14 33.085 30.947 2.138 1
1 78 . 2 1 1 A 14 14 GLU C C 14 175.059 176.183 -1.124 1
1 81 . 2 1 1 A 15 15 CYS N N 15 126.927 125.174 1.753 1
1 82 . 2 1 1 A 15 15 CYS H H 15 9.263 9.036 0.227 1
1 83 . 2 1 1 A 15 15 CYS CA C 15 59.573 58.514 1.059 1
1 84 . 2 1 1 A 15 15 CYS HA H 15 4.562 4.545 0.017 1
1 85 . 2 1 1 A 15 15 CYS CB C 15 29.667 27.401 2.266 1
1 87 . 2 1 1 A 15 15 CYS C C 15 177.427 175.605 1.822 1
1 89 . 2 1 1 A 16 16 GLN N N 16 131.467 126.861 4.606 1
1 90 . 2 1 1 A 16 16 GLN H H 16 9.521 8.453 1.068 1
1 91 . 2 1 1 A 16 16 GLN CA C 16 57.973 58.316 -0.343 1
1 92 . 2 1 1 A 16 16 GLN HA H 16 4.175 4.058 0.117 1
1 93 . 2 1 1 A 16 16 GLN CB C 16 28.562 27.980 0.582 1
1 100 . 2 1 1 A 16 16 GLN C C 16 176.140 177.809 -1.669 1
1 103 . 2 1 1 A 17 17 GLU N N 17 120.316 118.804 1.512 1
1 104 . 2 1 1 A 17 17 GLU H H 17 8.682 8.355 0.327 1
1 105 . 2 1 1 A 17 17 GLU CA C 17 58.362 58.783 -0.421 1
1 106 . 2 1 1 A 17 17 GLU HA H 17 4.233 4.040 0.193 1
1 107 . 2 1 1 A 17 17 GLU CB C 17 29.552 29.198 0.354 1
1 111 . 2 1 1 A 17 17 GLU C C 17 177.303 178.281 -0.978 1
1 114 . 2 1 1 A 18 18 CYS N N 18 114.810 115.025 -0.215 1
1 115 . 2 1 1 A 18 18 CYS H H 18 8.042 7.667 0.375 1
1 116 . 2 1 1 A 18 18 CYS CA C 18 58.513 59.555 -1.042 1
1 117 . 2 1 1 A 18 18 CYS HA H 18 5.154 4.668 0.486 1
1 118 . 2 1 1 A 18 18 CYS CB C 18 32.408 29.977 2.431 1
1 120 . 2 1 1 A 18 18 CYS C C 18 176.323 175.421 0.902 1
1 122 . 2 1 1 A 19 19 GLY N N 19 113.476 110.216 3.260 1
1 123 . 2 1 1 A 19 19 GLY H H 19 8.183 8.580 -0.397 1
1 124 . 2 1 1 A 19 19 GLY CA C 19 46.149 45.339 0.810 1
1 125 . 2 1 1 A 19 19 GLY HA3 H 19 4.200 4.041 0.159 1
1 126 . 2 1 1 A 19 19 GLY C C 19 173.814 174.280 -0.466 1
1 127 . 2 1 1 A 19 19 GLY HA2 H 19 3.921 4.037 -0.116 1
1 128 . 2 1 1 A 20 20 LYS N N 20 122.183 120.522 1.661 1
1 129 . 2 1 1 A 20 20 LYS H H 20 7.830 7.700 0.130 1
1 130 . 2 1 1 A 20 20 LYS CA C 20 58.063 54.590 3.473 1
1 131 . 2 1 1 A 20 20 LYS HA H 20 3.979 4.490 -0.511 1
1 132 . 2 1 1 A 20 20 LYS CB C 20 34.034 33.977 0.057 1
1 140 . 2 1 1 A 20 20 LYS C C 20 174.133 175.063 -0.930 1
1 145 . 2 1 1 A 21 21 ILE N N 21 120.927 128.687 -7.760 1
1 146 . 2 1 1 A 21 21 ILE H H 21 7.770 8.497 -0.727 1
1 147 . 2 1 1 A 21 21 ILE CA C 21 60.180 60.933 -0.753 1
1 148 . 2 1 1 A 21 21 ILE HA H 21 4.452 4.277 0.175 1
1 149 . 2 1 1 A 21 21 ILE CB C 21 39.694 38.004 1.690 1
1 161 . 2 1 1 A 21 21 ILE C C 21 175.461 175.193 0.268 1
1 163 . 2 1 1 A 22 22 PHE N N 22 123.258 125.426 -2.168 1
1 164 . 2 1 1 A 22 22 PHE H H 22 8.648 8.872 -0.224 1
1 165 . 2 1 1 A 22 22 PHE CA C 22 56.828 56.398 0.430 1
1 166 . 2 1 1 A 22 22 PHE HA H 22 4.710 4.929 -0.219 1
1 167 . 2 1 1 A 22 22 PHE CB C 22 43.452 41.891 1.561 1
1 179 . 2 1 1 A 22 22 PHE C C 22 176.151 175.803 0.348 1
1 181 . 2 1 1 A 23 23 ARG N N 23 119.153 125.542 -6.389 1
1 182 . 2 1 1 A 23 23 ARG H H 23 9.094 8.933 0.161 1
1 183 . 2 1 1 A 23 23 ARG CA C 23 57.288 59.719 -2.431 1
1 184 . 2 1 1 A 23 23 ARG HA H 23 4.241 3.976 0.265 1
1 185 . 2 1 1 A 23 23 ARG CB C 23 30.571 30.458 0.113 1
1 191 . 2 1 1 A 23 23 ARG C C 23 174.928 176.007 -1.079 1
1 195 . 2 1 1 A 24 24 HIS N N 24 113.877 113.712 0.165 1
1 196 . 2 1 1 A 24 24 HIS H H 24 7.141 7.434 -0.293 1
1 197 . 2 1 1 A 24 24 HIS CA C 24 56.129 53.734 2.395 1
1 198 . 2 1 1 A 24 24 HIS HA H 24 4.863 4.881 -0.018 1
1 199 . 2 1 1 A 24 24 HIS CB C 24 34.501 32.294 2.207 1
1 205 . 2 1 1 A 24 24 HIS C C 24 176.303 176.099 0.204 1
1 207 . 2 1 1 A 25 25 SER CA C 25 61.779 62.485 -0.706 1
1 208 . 2 1 1 A 25 25 SER HA H 25 4.060 3.980 0.080 1
1 209 . 2 1 1 A 25 25 SER CB C 25 62.462 62.991 -0.529 1
1 212 . 2 1 1 A 26 26 SER N N 26 119.893 116.371 3.522 1
1 213 . 2 1 1 A 26 26 SER H H 26 9.650 8.192 1.458 1
1 214 . 2 1 1 A 26 26 SER CA C 26 61.866 62.485 -0.619 1
1 215 . 2 1 1 A 26 26 SER HA H 26 3.950 4.149 -0.199 1
1 216 . 2 1 1 A 26 26 SER CB C 26 61.788 62.740 -0.952 1
1 218 . 2 1 1 A 26 26 SER C C 26 176.964 176.473 0.491 1
1 220 . 2 1 1 A 27 27 LEU N N 27 121.674 121.104 0.570 1
1 221 . 2 1 1 A 27 27 LEU H H 27 7.141 7.933 -0.792 1
1 222 . 2 1 1 A 27 27 LEU CA C 27 56.669 57.970 -1.301 1
1 223 . 2 1 1 A 27 27 LEU HA H 27 4.170 3.816 0.354 1
1 224 . 2 1 1 A 27 27 LEU CB C 27 41.962 41.487 0.475 1
1 236 . 2 1 1 A 27 27 LEU C C 27 179.312 178.906 0.406 1
1 238 . 2 1 1 A 28 28 LEU N N 28 121.976 119.173 2.803 1
1 239 . 2 1 1 A 28 28 LEU H H 28 7.075 7.997 -0.922 1
1 240 . 2 1 1 A 28 28 LEU CA C 28 57.616 57.532 0.084 1
1 241 . 2 1 1 A 28 28 LEU HA H 28 3.216 2.872 0.344 1
1 242 . 2 1 1 A 28 28 LEU CB C 28 40.475 41.484 -1.009 1
1 254 . 2 1 1 A 28 28 LEU C C 28 177.651 178.515 -0.864 1
1 256 . 2 1 1 A 29 29 ILE N N 29 119.789 119.228 0.561 1
1 257 . 2 1 1 A 29 29 ILE H H 29 7.956 8.322 -0.366 1
1 258 . 2 1 1 A 29 29 ILE CA C 29 64.818 65.340 -0.522 1
1 259 . 2 1 1 A 29 29 ILE HA H 29 3.770 3.466 0.304 1
1 260 . 2 1 1 A 29 29 ILE CB C 29 37.729 37.688 0.041 1
1 272 . 2 1 1 A 29 29 ILE C C 29 179.269 178.079 1.190 1
1 274 . 2 1 1 A 30 30 GLU N N 30 119.089 119.834 -0.745 1
1 275 . 2 1 1 A 30 30 GLU H H 30 7.425 8.030 -0.605 1
1 276 . 2 1 1 A 30 30 GLU CA C 30 59.239 59.455 -0.216 1
1 277 . 2 1 1 A 30 30 GLU HA H 30 4.030 3.967 0.063 1
1 278 . 2 1 1 A 30 30 GLU CB C 30 29.976 29.255 0.721 1
1 282 . 2 1 1 A 30 30 GLU C C 30 178.534 178.709 -0.175 1
1 285 . 2 1 1 A 31 31 HIS N N 31 118.679 120.785 -2.106 1
1 286 . 2 1 1 A 31 31 HIS H H 31 7.493 7.814 -0.321 1
1 287 . 2 1 1 A 31 31 HIS CA C 31 58.956 59.326 -0.370 1
1 288 . 2 1 1 A 31 31 HIS HA H 31 4.224 4.118 0.106 1
1 289 . 2 1 1 A 31 31 HIS CB C 31 28.605 29.610 -1.005 1
1 295 . 2 1 1 A 31 31 HIS C C 31 176.314 177.343 -1.029 1
1 297 . 2 1 1 A 32 32 GLN N N 32 116.911 117.979 -1.068 1
1 298 . 2 1 1 A 32 32 GLN H H 32 8.454 8.657 -0.203 1
1 299 . 2 1 1 A 32 32 GLN CA C 32 59.194 59.098 0.096 1
1 300 . 2 1 1 A 32 32 GLN HA H 32 3.772 3.910 -0.138 1
1 301 . 2 1 1 A 32 32 GLN CB C 32 28.057 28.220 -0.163 1
1 308 . 2 1 1 A 32 32 GLN C C 32 178.135 178.107 0.028 1
1 311 . 2 1 1 A 33 33 ALA N N 33 121.580 121.767 -0.187 1
1 312 . 2 1 1 A 33 33 ALA H H 33 7.279 7.520 -0.241 1
1 313 . 2 1 1 A 33 33 ALA CA C 33 54.593 54.921 -0.328 1
1 314 . 2 1 1 A 33 33 ALA HA H 33 4.163 4.064 0.099 1
1 315 . 2 1 1 A 33 33 ALA CB C 33 18.182 18.495 -0.313 1
1 319 . 2 1 1 A 33 33 ALA C C 33 179.581 179.790 -0.209 1
1 320 . 2 1 1 A 34 34 LEU N N 34 117.524 117.028 0.496 1
1 321 . 2 1 1 A 34 34 LEU H H 34 7.733 7.696 0.037 1
1 322 . 2 1 1 A 34 34 LEU CA C 34 56.653 57.893 -1.240 1
1 323 . 2 1 1 A 34 34 LEU HA H 34 4.058 3.883 0.175 1
1 324 . 2 1 1 A 34 34 LEU CB C 34 41.217 41.139 0.078 1
1 336 . 2 1 1 A 34 34 LEU C C 34 179.011 178.663 0.348 1
1 338 . 2 1 1 A 35 35 HIS N N 35 115.390 118.549 -3.159 1
1 339 . 2 1 1 A 35 35 HIS H H 35 7.175 8.459 -1.284 1
1 340 . 2 1 1 A 35 35 HIS CA C 35 55.525 59.723 -4.198 1
1 341 . 2 1 1 A 35 35 HIS HA H 35 4.738 4.344 0.394 1
1 342 . 2 1 1 A 35 35 HIS CB C 35 28.715 29.187 -0.472 1
1 348 . 2 1 1 A 35 35 HIS C C 35 175.385 177.751 -2.366 1
1 350 . 2 1 1 A 36 36 ALA N N 36 122.651 122.042 0.609 1
1 351 . 2 1 1 A 36 36 ALA H H 36 7.634 8.142 -0.508 1
1 352 . 2 1 1 A 36 36 ALA CA C 36 53.281 55.171 -1.890 1
1 353 . 2 1 1 A 36 36 ALA HA H 36 4.328 3.938 0.390 1
1 354 . 2 1 1 A 36 36 ALA CB C 36 19.154 18.066 1.088 1
1 358 . 2 1 1 A 36 36 ALA C C 36 178.273 180.223 -1.950 1
1 359 . 2 1 1 A 37 37 GLY N N 37 107.266 106.781 0.485 1
1 360 . 2 1 1 A 37 37 GLY H H 37 8.163 8.289 -0.126 1
1 361 . 2 1 1 A 37 37 GLY CA C 37 45.358 47.141 -1.783 1
1 362 . 2 1 1 A 37 37 GLY HA3 H 37 3.964 3.767 0.197 1
1 363 . 2 1 1 A 37 37 GLY C C 37 174.369 174.886 -0.517 1
1 364 . 2 1 1 A 37 37 GLY HA2 H 37 4.027 3.756 0.271 1
1 365 . 2 1 1 A 38 38 GLU N N 38 120.486 119.131 1.355 1
1 366 . 2 1 1 A 38 38 GLU H H 38 8.160 7.861 0.299 1
1 367 . 2 1 1 A 38 38 GLU CA C 38 56.658 55.472 1.186 1
1 368 . 2 1 1 A 38 38 GLU HA H 38 4.357 4.459 -0.102 1
1 369 . 2 1 1 A 38 38 GLU CB C 38 30.381 28.422 1.959 1
1 373 . 2 1 1 A 38 38 GLU C C 38 176.730 175.279 1.451 1
1 376 . 2 1 1 A 39 39 SER N N 39 116.555 119.991 -3.436 1
1 377 . 2 1 1 A 39 39 SER H H 39 8.391 8.535 -0.144 1
1 378 . 2 1 1 A 39 39 SER CA C 39 58.397 55.993 2.404 1
1 379 . 2 1 1 A 39 39 SER HA H 39 4.515 5.195 -0.680 1
1 380 . 2 1 1 A 39 39 SER CB C 39 63.960 66.165 -2.205 1
1 382 . 2 1 1 A 39 39 SER C C 39 174.602 173.290 1.312 1
1 384 . 2 1 1 A 40 40 GLY N N 40 110.681 111.816 -1.135 1
1 385 . 2 1 1 A 40 40 GLY H H 40 8.239 8.634 -0.395 1
1 386 . 2 1 1 A 40 40 GLY CA C 40 44.666 44.071 0.595 1
1 387 . 2 1 1 A 40 40 GLY HA3 H 40 4.087 4.161 -0.074 1
1 388 . 2 1 1 A 40 40 GLY C C 40 171.769 174.076 -2.307 1
1 389 . 2 1 1 A 40 40 GLY HA2 H 40 4.185 4.161 0.024 1
1 390 . 2 1 1 A 41 41 PRO CA C 41 63.229 64.529 -1.300 1
1 391 . 2 1 1 A 41 41 PRO HA H 41 4.489 4.375 0.114 1
1 392 . 2 1 1 A 41 41 PRO CB C 41 32.192 32.209 -0.017 1
1 398 . 2 1 1 A 41 41 PRO C C 41 177.375 176.292 1.083 1
1 402 . 2 1 1 A 42 42 SER N N 42 116.504 115.626 0.878 1
1 403 . 2 1 1 A 42 42 SER H H 42 8.544 7.837 0.707 1
1 404 . 2 1 1 A 42 42 SER CA C 42 58.364 57.666 0.698 1
1 405 . 2 1 1 A 42 42 SER HA H 42 4.470 4.642 -0.172 1
1 406 . 2 1 1 A 42 42 SER CB C 42 64.062 65.143 -1.081 1
1 408 . 2 1 1 A 42 42 SER C C 42 174.704 174.111 0.593 1
1 410 . 2 1 1 A 43 43 SER N N 43 117.992 114.870 3.122 1
1 411 . 2 1 1 A 43 43 SER H H 43 8.358 9.292 -0.934 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.366 45.702 -0.336 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.975 4.121 -0.146 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.840 172.796 1.044 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 3.975 4.120 -0.145 1
1 5 . 3 1 1 A 8 8 ALA N N 8 123.813 122.839 0.974 1
1 6 . 3 1 1 A 8 8 ALA H H 8 8.108 8.036 0.072 1
1 7 . 3 1 1 A 8 8 ALA CA C 8 52.400 50.873 1.527 1
1 8 . 3 1 1 A 8 8 ALA HA H 8 4.317 4.728 -0.411 1
1 9 . 3 1 1 A 8 8 ALA CB C 8 19.299 19.741 -0.442 1
1 13 . 3 1 1 A 8 8 ALA C C 8 177.523 175.779 1.744 1
1 14 . 3 1 1 A 9 9 ALA N N 9 123.426 125.490 -2.064 1
1 15 . 3 1 1 A 9 9 ALA H H 9 8.272 8.658 -0.386 1
1 16 . 3 1 1 A 9 9 ALA CA C 9 52.433 49.978 2.455 1
1 17 . 3 1 1 A 9 9 ALA HA H 9 4.313 4.784 -0.471 1
1 18 . 3 1 1 A 9 9 ALA CB C 9 19.254 22.653 -3.399 1
1 22 . 3 1 1 A 9 9 ALA C C 9 177.795 176.874 0.921 1
1 23 . 3 1 1 A 10 10 LYS N N 10 120.933 118.002 2.931 1
1 24 . 3 1 1 A 10 10 LYS H H 10 8.368 8.601 -0.233 1
1 25 . 3 1 1 A 10 10 LYS CA C 10 56.323 56.357 -0.034 1
1 26 . 3 1 1 A 10 10 LYS HA H 10 4.427 4.668 -0.241 1
1 27 . 3 1 1 A 10 10 LYS CB C 10 33.105 34.644 -1.539 1
1 35 . 3 1 1 A 10 10 LYS C C 10 176.978 177.206 -0.228 1
1 40 . 3 1 1 A 11 11 THR N N 11 114.437 106.922 7.515 1
1 41 . 3 1 1 A 11 11 THR H H 11 8.308 7.757 0.551 1
1 42 . 3 1 1 A 11 11 THR CA C 11 61.617 60.804 0.813 1
1 43 . 3 1 1 A 11 11 THR HA H 11 4.472 4.708 -0.236 1
1 44 . 3 1 1 A 11 11 THR CB C 11 69.821 69.061 0.760 1
1 50 . 3 1 1 A 11 11 THR C C 11 174.562 173.312 1.250 1
1 51 . 3 1 1 A 12 12 THR N N 12 114.598 117.198 -2.600 1
1 52 . 3 1 1 A 12 12 THR H H 12 7.915 7.532 0.383 1
1 53 . 3 1 1 A 12 12 THR CA C 12 61.451 60.934 0.517 1
1 54 . 3 1 1 A 12 12 THR HA H 12 4.492 4.946 -0.454 1
1 55 . 3 1 1 A 12 12 THR CB C 12 70.427 71.727 -1.300 1
1 61 . 3 1 1 A 12 12 THR C C 12 174.236 173.976 0.260 1
1 62 . 3 1 1 A 13 13 SER N N 13 117.902 121.782 -3.880 1
1 63 . 3 1 1 A 13 13 SER H H 13 8.580 8.680 -0.100 1
1 64 . 3 1 1 A 13 13 SER CA C 13 58.138 58.291 -0.153 1
1 65 . 3 1 1 A 13 13 SER HA H 13 4.684 4.561 0.123 1
1 66 . 3 1 1 A 13 13 SER CB C 13 65.065 61.447 3.618 1
1 68 . 3 1 1 A 13 13 SER C C 13 172.108 173.629 -1.521 1
1 70 . 3 1 1 A 14 14 GLU N N 14 124.193 125.382 -1.189 1
1 71 . 3 1 1 A 14 14 GLU H H 14 8.386 8.804 -0.418 1
1 72 . 3 1 1 A 14 14 GLU CA C 14 54.181 55.661 -1.480 1
1 73 . 3 1 1 A 14 14 GLU HA H 14 5.048 5.173 -0.125 1
1 74 . 3 1 1 A 14 14 GLU CB C 14 33.085 31.435 1.650 1
1 78 . 3 1 1 A 14 14 GLU C C 14 175.059 176.128 -1.069 1
1 81 . 3 1 1 A 15 15 CYS N N 15 126.927 124.901 2.026 1
1 82 . 3 1 1 A 15 15 CYS H H 15 9.263 9.125 0.138 1
1 83 . 3 1 1 A 15 15 CYS CA C 15 59.573 58.362 1.211 1
1 84 . 3 1 1 A 15 15 CYS HA H 15 4.562 4.672 -0.110 1
1 85 . 3 1 1 A 15 15 CYS CB C 15 29.667 28.233 1.434 1
1 87 . 3 1 1 A 15 15 CYS C C 15 177.427 176.080 1.347 1
1 89 . 3 1 1 A 16 16 GLN N N 16 131.467 127.023 4.444 1
1 90 . 3 1 1 A 16 16 GLN H H 16 9.521 8.760 0.761 1
1 91 . 3 1 1 A 16 16 GLN CA C 16 57.973 58.214 -0.241 1
1 92 . 3 1 1 A 16 16 GLN HA H 16 4.175 4.089 0.086 1
1 93 . 3 1 1 A 16 16 GLN CB C 16 28.562 28.022 0.540 1
1 100 . 3 1 1 A 16 16 GLN C C 16 176.140 177.830 -1.690 1
1 103 . 3 1 1 A 17 17 GLU N N 17 120.316 118.485 1.831 1
1 104 . 3 1 1 A 17 17 GLU H H 17 8.682 8.062 0.620 1
1 105 . 3 1 1 A 17 17 GLU CA C 17 58.362 58.808 -0.446 1
1 106 . 3 1 1 A 17 17 GLU HA H 17 4.233 4.014 0.219 1
1 107 . 3 1 1 A 17 17 GLU CB C 17 29.552 29.312 0.240 1
1 111 . 3 1 1 A 17 17 GLU C C 17 177.303 178.078 -0.775 1
1 114 . 3 1 1 A 18 18 CYS N N 18 114.810 115.024 -0.214 1
1 115 . 3 1 1 A 18 18 CYS H H 18 8.042 8.040 0.002 1
1 116 . 3 1 1 A 18 18 CYS CA C 18 58.513 59.521 -1.008 1
1 117 . 3 1 1 A 18 18 CYS HA H 18 5.154 4.684 0.470 1
1 118 . 3 1 1 A 18 18 CYS CB C 18 32.408 30.203 2.205 1
1 120 . 3 1 1 A 18 18 CYS C C 18 176.323 175.533 0.790 1
1 122 . 3 1 1 A 19 19 GLY N N 19 113.476 110.134 3.342 1
1 123 . 3 1 1 A 19 19 GLY H H 19 8.183 8.441 -0.258 1
1 124 . 3 1 1 A 19 19 GLY CA C 19 46.149 45.394 0.755 1
1 125 . 3 1 1 A 19 19 GLY HA3 H 19 4.200 4.042 0.158 1
1 126 . 3 1 1 A 19 19 GLY C C 19 173.814 174.287 -0.473 1
1 127 . 3 1 1 A 19 19 GLY HA2 H 19 3.921 4.034 -0.113 1
1 128 . 3 1 1 A 20 20 LYS N N 20 122.183 120.476 1.707 1
1 129 . 3 1 1 A 20 20 LYS H H 20 7.830 7.713 0.117 1
1 130 . 3 1 1 A 20 20 LYS CA C 20 58.063 54.589 3.474 1
1 131 . 3 1 1 A 20 20 LYS HA H 20 3.979 4.497 -0.518 1
1 132 . 3 1 1 A 20 20 LYS CB C 20 34.034 33.905 0.129 1
1 140 . 3 1 1 A 20 20 LYS C C 20 174.133 175.152 -1.019 1
1 145 . 3 1 1 A 21 21 ILE N N 21 120.927 128.446 -7.519 1
1 146 . 3 1 1 A 21 21 ILE H H 21 7.770 8.327 -0.557 1
1 147 . 3 1 1 A 21 21 ILE CA C 21 60.180 60.628 -0.448 1
1 148 . 3 1 1 A 21 21 ILE HA H 21 4.452 4.348 0.104 1
1 149 . 3 1 1 A 21 21 ILE CB C 21 39.694 37.770 1.924 1
1 161 . 3 1 1 A 21 21 ILE C C 21 175.461 175.179 0.282 1
1 163 . 3 1 1 A 22 22 PHE N N 22 123.258 126.173 -2.915 1
1 164 . 3 1 1 A 22 22 PHE H H 22 8.648 8.870 -0.222 1
1 165 . 3 1 1 A 22 22 PHE CA C 22 56.828 56.376 0.452 1
1 166 . 3 1 1 A 22 22 PHE HA H 22 4.710 4.909 -0.199 1
1 167 . 3 1 1 A 22 22 PHE CB C 22 43.452 41.888 1.564 1
1 179 . 3 1 1 A 22 22 PHE C C 22 176.151 175.894 0.257 1
1 181 . 3 1 1 A 23 23 ARG N N 23 119.153 125.277 -6.124 1
1 182 . 3 1 1 A 23 23 ARG H H 23 9.094 8.892 0.202 1
1 183 . 3 1 1 A 23 23 ARG CA C 23 57.288 59.780 -2.492 1
1 184 . 3 1 1 A 23 23 ARG HA H 23 4.241 3.962 0.279 1
1 185 . 3 1 1 A 23 23 ARG CB C 23 30.571 30.490 0.081 1
1 191 . 3 1 1 A 23 23 ARG C C 23 174.928 176.002 -1.074 1
1 195 . 3 1 1 A 24 24 HIS N N 24 113.877 113.532 0.345 1
1 196 . 3 1 1 A 24 24 HIS H H 24 7.141 7.444 -0.303 1
1 197 . 3 1 1 A 24 24 HIS CA C 24 56.129 53.839 2.290 1
1 198 . 3 1 1 A 24 24 HIS HA H 24 4.863 4.904 -0.041 1
1 199 . 3 1 1 A 24 24 HIS CB C 24 34.501 32.338 2.163 1
1 205 . 3 1 1 A 24 24 HIS C C 24 176.303 176.031 0.272 1
1 207 . 3 1 1 A 25 25 SER CA C 25 61.779 61.562 0.217 1
1 208 . 3 1 1 A 25 25 SER HA H 25 4.060 4.058 0.002 1
1 209 . 3 1 1 A 25 25 SER CB C 25 62.462 62.653 -0.191 1
1 212 . 3 1 1 A 26 26 SER N N 26 119.893 116.764 3.129 1
1 213 . 3 1 1 A 26 26 SER H H 26 9.650 8.232 1.418 1
1 214 . 3 1 1 A 26 26 SER CA C 26 61.866 62.491 -0.625 1
1 215 . 3 1 1 A 26 26 SER HA H 26 3.950 4.152 -0.202 1
1 216 . 3 1 1 A 26 26 SER CB C 26 61.788 62.703 -0.915 1
1 218 . 3 1 1 A 26 26 SER C C 26 176.964 176.479 0.485 1
1 220 . 3 1 1 A 27 27 LEU N N 27 121.674 121.110 0.564 1
1 221 . 3 1 1 A 27 27 LEU H H 27 7.141 7.962 -0.821 1
1 222 . 3 1 1 A 27 27 LEU CA C 27 56.669 57.959 -1.290 1
1 223 . 3 1 1 A 27 27 LEU HA H 27 4.170 3.823 0.347 1
1 224 . 3 1 1 A 27 27 LEU CB C 27 41.962 41.635 0.327 1
1 236 . 3 1 1 A 27 27 LEU C C 27 179.312 178.893 0.419 1
1 238 . 3 1 1 A 28 28 LEU N N 28 121.976 119.008 2.968 1
1 239 . 3 1 1 A 28 28 LEU H H 28 7.075 7.970 -0.895 1
1 240 . 3 1 1 A 28 28 LEU CA C 28 57.616 57.486 0.130 1
1 241 . 3 1 1 A 28 28 LEU HA H 28 3.216 2.713 0.503 1
1 242 . 3 1 1 A 28 28 LEU CB C 28 40.475 41.390 -0.915 1
1 254 . 3 1 1 A 28 28 LEU C C 28 177.651 178.484 -0.833 1
1 256 . 3 1 1 A 29 29 ILE N N 29 119.789 119.211 0.578 1
1 257 . 3 1 1 A 29 29 ILE H H 29 7.956 8.398 -0.442 1
1 258 . 3 1 1 A 29 29 ILE CA C 29 64.818 65.334 -0.516 1
1 259 . 3 1 1 A 29 29 ILE HA H 29 3.770 3.479 0.291 1
1 260 . 3 1 1 A 29 29 ILE CB C 29 37.729 37.875 -0.146 1
1 272 . 3 1 1 A 29 29 ILE C C 29 179.269 178.057 1.212 1
1 274 . 3 1 1 A 30 30 GLU N N 30 119.089 119.520 -0.431 1
1 275 . 3 1 1 A 30 30 GLU H H 30 7.425 8.048 -0.623 1
1 276 . 3 1 1 A 30 30 GLU CA C 30 59.239 59.415 -0.176 1
1 277 . 3 1 1 A 30 30 GLU HA H 30 4.030 3.965 0.065 1
1 278 . 3 1 1 A 30 30 GLU CB C 30 29.976 29.266 0.710 1
1 282 . 3 1 1 A 30 30 GLU C C 30 178.534 178.569 -0.035 1
1 285 . 3 1 1 A 31 31 HIS N N 31 118.679 120.688 -2.009 1
1 286 . 3 1 1 A 31 31 HIS H H 31 7.493 7.851 -0.358 1
1 287 . 3 1 1 A 31 31 HIS CA C 31 58.956 59.421 -0.465 1
1 288 . 3 1 1 A 31 31 HIS HA H 31 4.224 4.136 0.088 1
1 289 . 3 1 1 A 31 31 HIS CB C 31 28.605 29.460 -0.855 1
1 295 . 3 1 1 A 31 31 HIS C C 31 176.314 177.333 -1.019 1
1 297 . 3 1 1 A 32 32 GLN N N 32 116.911 117.510 -0.599 1
1 298 . 3 1 1 A 32 32 GLN H H 32 8.454 8.645 -0.191 1
1 299 . 3 1 1 A 32 32 GLN CA C 32 59.194 59.049 0.145 1
1 300 . 3 1 1 A 32 32 GLN HA H 32 3.772 3.856 -0.084 1
1 301 . 3 1 1 A 32 32 GLN CB C 32 28.057 28.117 -0.060 1
1 308 . 3 1 1 A 32 32 GLN C C 32 178.135 178.157 -0.022 1
1 311 . 3 1 1 A 33 33 ALA N N 33 121.580 121.456 0.124 1
1 312 . 3 1 1 A 33 33 ALA H H 33 7.279 7.546 -0.267 1
1 313 . 3 1 1 A 33 33 ALA CA C 33 54.593 54.849 -0.256 1
1 314 . 3 1 1 A 33 33 ALA HA H 33 4.163 4.028 0.135 1
1 315 . 3 1 1 A 33 33 ALA CB C 33 18.182 18.539 -0.357 1
1 319 . 3 1 1 A 33 33 ALA C C 33 179.581 179.892 -0.311 1
1 320 . 3 1 1 A 34 34 LEU N N 34 117.524 117.116 0.408 1
1 321 . 3 1 1 A 34 34 LEU H H 34 7.733 7.646 0.087 1
1 322 . 3 1 1 A 34 34 LEU CA C 34 56.653 57.874 -1.221 1
1 323 . 3 1 1 A 34 34 LEU HA H 34 4.058 3.858 0.200 1
1 324 . 3 1 1 A 34 34 LEU CB C 34 41.217 41.179 0.038 1
1 336 . 3 1 1 A 34 34 LEU C C 34 179.011 178.348 0.663 1
1 338 . 3 1 1 A 35 35 HIS N N 35 115.390 118.073 -2.683 1
1 339 . 3 1 1 A 35 35 HIS H H 35 7.175 7.912 -0.737 1
1 340 . 3 1 1 A 35 35 HIS CA C 35 55.525 58.640 -3.115 1
1 341 . 3 1 1 A 35 35 HIS HA H 35 4.738 4.330 0.408 1
1 342 . 3 1 1 A 35 35 HIS CB C 35 28.715 29.703 -0.988 1
1 348 . 3 1 1 A 35 35 HIS C C 35 175.385 176.558 -1.173 1
1 350 . 3 1 1 A 36 36 ALA N N 36 122.651 119.419 3.232 1
1 351 . 3 1 1 A 36 36 ALA H H 36 7.634 7.488 0.146 1
1 352 . 3 1 1 A 36 36 ALA CA C 36 53.281 54.037 -0.756 1
1 353 . 3 1 1 A 36 36 ALA HA H 36 4.328 3.953 0.375 1
1 354 . 3 1 1 A 36 36 ALA CB C 36 19.154 18.439 0.715 1
1 358 . 3 1 1 A 36 36 ALA C C 36 178.273 178.372 -0.099 1
1 359 . 3 1 1 A 37 37 GLY N N 37 107.266 112.045 -4.779 1
1 360 . 3 1 1 A 37 37 GLY H H 37 8.163 8.837 -0.674 1
1 361 . 3 1 1 A 37 37 GLY CA C 37 45.358 45.574 -0.216 1
1 362 . 3 1 1 A 37 37 GLY HA3 H 37 3.964 4.108 -0.144 1
1 363 . 3 1 1 A 37 37 GLY C C 37 174.369 175.230 -0.861 1
1 364 . 3 1 1 A 37 37 GLY HA2 H 37 4.027 4.104 -0.077 1
1 365 . 3 1 1 A 38 38 GLU N N 38 120.486 120.078 0.408 1
1 366 . 3 1 1 A 38 38 GLU H H 38 8.160 8.155 0.005 1
1 367 . 3 1 1 A 38 38 GLU CA C 38 56.658 56.287 0.371 1
1 368 . 3 1 1 A 38 38 GLU HA H 38 4.357 4.308 0.049 1
1 369 . 3 1 1 A 38 38 GLU CB C 38 30.381 29.034 1.347 1
1 373 . 3 1 1 A 38 38 GLU C C 38 176.730 176.767 -0.037 1
1 376 . 3 1 1 A 39 39 SER N N 39 116.555 114.937 1.618 1
1 377 . 3 1 1 A 39 39 SER H H 39 8.391 7.627 0.764 1
1 378 . 3 1 1 A 39 39 SER CA C 39 58.397 57.983 0.414 1
1 379 . 3 1 1 A 39 39 SER HA H 39 4.515 4.530 -0.015 1
1 380 . 3 1 1 A 39 39 SER CB C 39 63.960 63.077 0.883 1
1 382 . 3 1 1 A 39 39 SER C C 39 174.602 174.934 -0.332 1
1 384 . 3 1 1 A 40 40 GLY N N 40 110.681 111.343 -0.662 1
1 385 . 3 1 1 A 40 40 GLY H H 40 8.239 8.433 -0.194 1
1 386 . 3 1 1 A 40 40 GLY CA C 40 44.666 44.006 0.660 1
1 387 . 3 1 1 A 40 40 GLY HA3 H 40 4.087 4.137 -0.050 1
1 388 . 3 1 1 A 40 40 GLY C C 40 171.769 174.733 -2.964 1
1 389 . 3 1 1 A 40 40 GLY HA2 H 40 4.185 4.136 0.049 1
1 390 . 3 1 1 A 41 41 PRO CA C 41 63.229 64.715 -1.486 1
1 391 . 3 1 1 A 41 41 PRO HA H 41 4.489 4.342 0.147 1
1 392 . 3 1 1 A 41 41 PRO CB C 41 32.192 31.526 0.666 1
1 398 . 3 1 1 A 41 41 PRO C C 41 177.375 177.060 0.315 1
1 402 . 3 1 1 A 42 42 SER N N 42 116.504 111.434 5.070 1
1 403 . 3 1 1 A 42 42 SER H H 42 8.544 8.091 0.453 1
1 404 . 3 1 1 A 42 42 SER CA C 42 58.364 59.008 -0.644 1
1 405 . 3 1 1 A 42 42 SER HA H 42 4.470 4.186 0.284 1
1 406 . 3 1 1 A 42 42 SER CB C 42 64.062 61.663 2.399 1
1 408 . 3 1 1 A 42 42 SER C C 42 174.704 174.893 -0.189 1
1 410 . 3 1 1 A 43 43 SER N N 43 117.992 114.779 3.213 1
1 411 . 3 1 1 A 43 43 SER H H 43 8.358 8.237 0.121 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.366 46.603 -1.237 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.975 3.972 0.003 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.840 175.174 -1.334 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 3.975 3.965 0.010 1
1 5 . 4 1 1 A 8 8 ALA N N 8 123.813 120.702 3.111 1
1 6 . 4 1 1 A 8 8 ALA H H 8 8.108 8.052 0.056 1
1 7 . 4 1 1 A 8 8 ALA CA C 8 52.400 54.566 -2.166 1
1 8 . 4 1 1 A 8 8 ALA HA H 8 4.317 4.074 0.243 1
1 9 . 4 1 1 A 8 8 ALA CB C 8 19.299 19.031 0.268 1
1 13 . 4 1 1 A 8 8 ALA C C 8 177.523 177.468 0.055 1
1 14 . 4 1 1 A 9 9 ALA N N 9 123.426 119.166 4.260 1
1 15 . 4 1 1 A 9 9 ALA H H 9 8.272 7.830 0.442 1
1 16 . 4 1 1 A 9 9 ALA CA C 9 52.433 51.426 1.007 1
1 17 . 4 1 1 A 9 9 ALA HA H 9 4.313 4.545 -0.232 1
1 18 . 4 1 1 A 9 9 ALA CB C 9 19.254 21.565 -2.311 1
1 22 . 4 1 1 A 9 9 ALA C C 9 177.795 176.283 1.512 1
1 23 . 4 1 1 A 10 10 LYS N N 10 120.933 118.636 2.297 1
1 24 . 4 1 1 A 10 10 LYS H H 10 8.368 8.476 -0.108 1
1 25 . 4 1 1 A 10 10 LYS CA C 10 56.323 54.744 1.579 1
1 26 . 4 1 1 A 10 10 LYS HA H 10 4.427 4.644 -0.217 1
1 27 . 4 1 1 A 10 10 LYS CB C 10 33.105 35.289 -2.184 1
1 35 . 4 1 1 A 10 10 LYS C C 10 176.978 176.848 0.130 1
1 40 . 4 1 1 A 11 11 THR N N 11 114.437 116.733 -2.296 1
1 41 . 4 1 1 A 11 11 THR H H 11 8.308 8.751 -0.443 1
1 42 . 4 1 1 A 11 11 THR CA C 11 61.617 62.986 -1.369 1
1 43 . 4 1 1 A 11 11 THR HA H 11 4.472 4.080 0.392 1
1 44 . 4 1 1 A 11 11 THR CB C 11 69.821 66.781 3.040 1
1 50 . 4 1 1 A 11 11 THR C C 11 174.562 173.571 0.991 1
1 51 . 4 1 1 A 12 12 THR N N 12 114.598 116.596 -1.998 1
1 52 . 4 1 1 A 12 12 THR H H 12 7.915 7.869 0.046 1
1 53 . 4 1 1 A 12 12 THR CA C 12 61.451 60.965 0.486 1
1 54 . 4 1 1 A 12 12 THR HA H 12 4.492 4.644 -0.152 1
1 55 . 4 1 1 A 12 12 THR CB C 12 70.427 70.968 -0.541 1
1 61 . 4 1 1 A 12 12 THR C C 12 174.236 174.061 0.175 1
1 62 . 4 1 1 A 13 13 SER N N 13 117.902 121.701 -3.799 1
1 63 . 4 1 1 A 13 13 SER H H 13 8.580 8.674 -0.094 1
1 64 . 4 1 1 A 13 13 SER CA C 13 58.138 58.034 0.104 1
1 65 . 4 1 1 A 13 13 SER HA H 13 4.684 4.613 0.071 1
1 66 . 4 1 1 A 13 13 SER CB C 13 65.065 61.444 3.621 1
1 68 . 4 1 1 A 13 13 SER C C 13 172.108 173.578 -1.470 1
1 70 . 4 1 1 A 14 14 GLU N N 14 124.193 124.242 -0.049 1
1 71 . 4 1 1 A 14 14 GLU H H 14 8.386 9.024 -0.638 1
1 72 . 4 1 1 A 14 14 GLU CA C 14 54.181 56.010 -1.829 1
1 73 . 4 1 1 A 14 14 GLU HA H 14 5.048 5.081 -0.033 1
1 74 . 4 1 1 A 14 14 GLU CB C 14 33.085 31.271 1.814 1
1 78 . 4 1 1 A 14 14 GLU C C 14 175.059 176.350 -1.291 1
1 81 . 4 1 1 A 15 15 CYS N N 15 126.927 124.782 2.145 1
1 82 . 4 1 1 A 15 15 CYS H H 15 9.263 9.219 0.044 1
1 83 . 4 1 1 A 15 15 CYS CA C 15 59.573 58.689 0.884 1
1 84 . 4 1 1 A 15 15 CYS HA H 15 4.562 4.581 -0.019 1
1 85 . 4 1 1 A 15 15 CYS CB C 15 29.667 28.188 1.479 1
1 87 . 4 1 1 A 15 15 CYS C C 15 177.427 176.009 1.418 1
1 89 . 4 1 1 A 16 16 GLN N N 16 131.467 126.855 4.612 1
1 90 . 4 1 1 A 16 16 GLN H H 16 9.521 8.752 0.769 1
1 91 . 4 1 1 A 16 16 GLN CA C 16 57.973 58.168 -0.195 1
1 92 . 4 1 1 A 16 16 GLN HA H 16 4.175 4.089 0.086 1
1 93 . 4 1 1 A 16 16 GLN CB C 16 28.562 27.885 0.677 1
1 100 . 4 1 1 A 16 16 GLN C C 16 176.140 177.870 -1.730 1
1 103 . 4 1 1 A 17 17 GLU N N 17 120.316 118.608 1.708 1
1 104 . 4 1 1 A 17 17 GLU H H 17 8.682 8.058 0.624 1
1 105 . 4 1 1 A 17 17 GLU CA C 17 58.362 58.822 -0.460 1
1 106 . 4 1 1 A 17 17 GLU HA H 17 4.233 4.021 0.212 1
1 107 . 4 1 1 A 17 17 GLU CB C 17 29.552 29.409 0.143 1
1 111 . 4 1 1 A 17 17 GLU C C 17 177.303 178.086 -0.783 1
1 114 . 4 1 1 A 18 18 CYS N N 18 114.810 115.036 -0.226 1
1 115 . 4 1 1 A 18 18 CYS H H 18 8.042 8.036 0.006 1
1 116 . 4 1 1 A 18 18 CYS CA C 18 58.513 59.523 -1.010 1
1 117 . 4 1 1 A 18 18 CYS HA H 18 5.154 4.685 0.469 1
1 118 . 4 1 1 A 18 18 CYS CB C 18 32.408 30.190 2.218 1
1 120 . 4 1 1 A 18 18 CYS C C 18 176.323 175.527 0.796 1
1 122 . 4 1 1 A 19 19 GLY N N 19 113.476 110.120 3.356 1
1 123 . 4 1 1 A 19 19 GLY H H 19 8.183 8.403 -0.220 1
1 124 . 4 1 1 A 19 19 GLY CA C 19 46.149 45.406 0.743 1
1 125 . 4 1 1 A 19 19 GLY HA3 H 19 4.200 4.041 0.159 1
1 126 . 4 1 1 A 19 19 GLY C C 19 173.814 174.294 -0.480 1
1 127 . 4 1 1 A 19 19 GLY HA2 H 19 3.921 4.035 -0.114 1
1 128 . 4 1 1 A 20 20 LYS N N 20 122.183 120.373 1.810 1
1 129 . 4 1 1 A 20 20 LYS H H 20 7.830 7.717 0.113 1
1 130 . 4 1 1 A 20 20 LYS CA C 20 58.063 54.562 3.501 1
1 131 . 4 1 1 A 20 20 LYS HA H 20 3.979 4.502 -0.523 1
1 132 . 4 1 1 A 20 20 LYS CB C 20 34.034 34.125 -0.091 1
1 140 . 4 1 1 A 20 20 LYS C C 20 174.133 175.151 -1.018 1
1 145 . 4 1 1 A 21 21 ILE N N 21 120.927 128.200 -7.273 1
1 146 . 4 1 1 A 21 21 ILE H H 21 7.770 8.399 -0.629 1
1 147 . 4 1 1 A 21 21 ILE CA C 21 60.180 60.800 -0.620 1
1 148 . 4 1 1 A 21 21 ILE HA H 21 4.452 4.332 0.120 1
1 149 . 4 1 1 A 21 21 ILE CB C 21 39.694 37.934 1.760 1
1 161 . 4 1 1 A 21 21 ILE C C 21 175.461 175.092 0.369 1
1 163 . 4 1 1 A 22 22 PHE N N 22 123.258 125.795 -2.537 1
1 164 . 4 1 1 A 22 22 PHE H H 22 8.648 8.520 0.128 1
1 165 . 4 1 1 A 22 22 PHE CA C 22 56.828 56.418 0.410 1
1 166 . 4 1 1 A 22 22 PHE HA H 22 4.710 4.912 -0.202 1
1 167 . 4 1 1 A 22 22 PHE CB C 22 43.452 41.798 1.654 1
1 179 . 4 1 1 A 22 22 PHE C C 22 176.151 175.843 0.308 1
1 181 . 4 1 1 A 23 23 ARG N N 23 119.153 125.329 -6.176 1
1 182 . 4 1 1 A 23 23 ARG H H 23 9.094 8.935 0.159 1
1 183 . 4 1 1 A 23 23 ARG CA C 23 57.288 59.750 -2.462 1
1 184 . 4 1 1 A 23 23 ARG HA H 23 4.241 3.961 0.280 1
1 185 . 4 1 1 A 23 23 ARG CB C 23 30.571 30.460 0.111 1
1 191 . 4 1 1 A 23 23 ARG C C 23 174.928 175.859 -0.931 1
1 195 . 4 1 1 A 24 24 HIS N N 24 113.877 113.467 0.410 1
1 196 . 4 1 1 A 24 24 HIS H H 24 7.141 7.441 -0.300 1
1 197 . 4 1 1 A 24 24 HIS CA C 24 56.129 53.590 2.539 1
1 198 . 4 1 1 A 24 24 HIS HA H 24 4.863 4.906 -0.043 1
1 199 . 4 1 1 A 24 24 HIS CB C 24 34.501 32.523 1.978 1
1 205 . 4 1 1 A 24 24 HIS C C 24 176.303 176.024 0.279 1
1 207 . 4 1 1 A 25 25 SER CA C 25 61.779 62.594 -0.815 1
1 208 . 4 1 1 A 25 25 SER HA H 25 4.060 3.978 0.082 1
1 209 . 4 1 1 A 25 25 SER CB C 25 62.462 63.015 -0.553 1
1 212 . 4 1 1 A 26 26 SER N N 26 119.893 116.840 3.053 1
1 213 . 4 1 1 A 26 26 SER H H 26 9.650 8.325 1.325 1
1 214 . 4 1 1 A 26 26 SER CA C 26 61.866 62.561 -0.695 1
1 215 . 4 1 1 A 26 26 SER HA H 26 3.950 4.140 -0.190 1
1 216 . 4 1 1 A 26 26 SER CB C 26 61.788 62.774 -0.986 1
1 218 . 4 1 1 A 26 26 SER C C 26 176.964 176.569 0.395 1
1 220 . 4 1 1 A 27 27 LEU N N 27 121.674 120.582 1.092 1
1 221 . 4 1 1 A 27 27 LEU H H 27 7.141 7.650 -0.509 1
1 222 . 4 1 1 A 27 27 LEU CA C 27 56.669 57.968 -1.299 1
1 223 . 4 1 1 A 27 27 LEU HA H 27 4.170 3.808 0.362 1
1 224 . 4 1 1 A 27 27 LEU CB C 27 41.962 41.529 0.433 1
1 236 . 4 1 1 A 27 27 LEU C C 27 179.312 179.010 0.302 1
1 238 . 4 1 1 A 28 28 LEU N N 28 121.976 119.459 2.517 1
1 239 . 4 1 1 A 28 28 LEU H H 28 7.075 7.859 -0.784 1
1 240 . 4 1 1 A 28 28 LEU CA C 28 57.616 57.338 0.278 1
1 241 . 4 1 1 A 28 28 LEU HA H 28 3.216 2.580 0.636 1
1 242 . 4 1 1 A 28 28 LEU CB C 28 40.475 41.363 -0.888 1
1 254 . 4 1 1 A 28 28 LEU C C 28 177.651 178.237 -0.586 1
1 256 . 4 1 1 A 29 29 ILE N N 29 119.789 119.382 0.407 1
1 257 . 4 1 1 A 29 29 ILE H H 29 7.956 8.426 -0.470 1
1 258 . 4 1 1 A 29 29 ILE CA C 29 64.818 65.423 -0.605 1
1 259 . 4 1 1 A 29 29 ILE HA H 29 3.770 3.447 0.323 1
1 260 . 4 1 1 A 29 29 ILE CB C 29 37.729 37.745 -0.016 1
1 272 . 4 1 1 A 29 29 ILE C C 29 179.269 177.633 1.636 1
1 274 . 4 1 1 A 30 30 GLU N N 30 119.089 119.414 -0.325 1
1 275 . 4 1 1 A 30 30 GLU H H 30 7.425 7.941 -0.516 1
1 276 . 4 1 1 A 30 30 GLU CA C 30 59.239 59.427 -0.188 1
1 277 . 4 1 1 A 30 30 GLU HA H 30 4.030 3.958 0.072 1
1 278 . 4 1 1 A 30 30 GLU CB C 30 29.976 29.312 0.664 1
1 282 . 4 1 1 A 30 30 GLU C C 30 178.534 178.575 -0.041 1
1 285 . 4 1 1 A 31 31 HIS N N 31 118.679 120.433 -1.754 1
1 286 . 4 1 1 A 31 31 HIS H H 31 7.493 7.719 -0.226 1
1 287 . 4 1 1 A 31 31 HIS CA C 31 58.956 59.724 -0.768 1
1 288 . 4 1 1 A 31 31 HIS HA H 31 4.224 4.129 0.095 1
1 289 . 4 1 1 A 31 31 HIS CB C 31 28.605 29.459 -0.854 1
1 295 . 4 1 1 A 31 31 HIS C C 31 176.314 176.800 -0.486 1
1 297 . 4 1 1 A 32 32 GLN N N 32 116.911 116.936 -0.025 1
1 298 . 4 1 1 A 32 32 GLN H H 32 8.454 8.612 -0.158 1
1 299 . 4 1 1 A 32 32 GLN CA C 32 59.194 59.055 0.139 1
1 300 . 4 1 1 A 32 32 GLN HA H 32 3.772 3.935 -0.163 1
1 301 . 4 1 1 A 32 32 GLN CB C 32 28.057 28.070 -0.013 1
1 308 . 4 1 1 A 32 32 GLN C C 32 178.135 178.141 -0.006 1
1 311 . 4 1 1 A 33 33 ALA N N 33 121.580 121.246 0.334 1
1 312 . 4 1 1 A 33 33 ALA H H 33 7.279 7.496 -0.217 1
1 313 . 4 1 1 A 33 33 ALA CA C 33 54.593 55.038 -0.445 1
1 314 . 4 1 1 A 33 33 ALA HA H 33 4.163 4.042 0.121 1
1 315 . 4 1 1 A 33 33 ALA CB C 33 18.182 18.589 -0.407 1
1 319 . 4 1 1 A 33 33 ALA C C 33 179.581 179.698 -0.117 1
1 320 . 4 1 1 A 34 34 LEU N N 34 117.524 116.971 0.553 1
1 321 . 4 1 1 A 34 34 LEU H H 34 7.733 7.683 0.050 1
1 322 . 4 1 1 A 34 34 LEU CA C 34 56.653 57.860 -1.207 1
1 323 . 4 1 1 A 34 34 LEU HA H 34 4.058 3.893 0.165 1
1 324 . 4 1 1 A 34 34 LEU CB C 34 41.217 41.294 -0.077 1
1 336 . 4 1 1 A 34 34 LEU C C 34 179.011 178.330 0.681 1
1 338 . 4 1 1 A 35 35 HIS N N 35 115.390 118.113 -2.723 1
1 339 . 4 1 1 A 35 35 HIS H H 35 7.175 7.828 -0.653 1
1 340 . 4 1 1 A 35 35 HIS CA C 35 55.525 58.633 -3.108 1
1 341 . 4 1 1 A 35 35 HIS HA H 35 4.738 4.342 0.396 1
1 342 . 4 1 1 A 35 35 HIS CB C 35 28.715 29.729 -1.014 1
1 348 . 4 1 1 A 35 35 HIS C C 35 175.385 176.601 -1.216 1
1 350 . 4 1 1 A 36 36 ALA N N 36 122.651 119.618 3.033 1
1 351 . 4 1 1 A 36 36 ALA H H 36 7.634 7.520 0.114 1
1 352 . 4 1 1 A 36 36 ALA CA C 36 53.281 52.963 0.318 1
1 353 . 4 1 1 A 36 36 ALA HA H 36 4.328 4.065 0.263 1
1 354 . 4 1 1 A 36 36 ALA CB C 36 19.154 19.133 0.021 1
1 358 . 4 1 1 A 36 36 ALA C C 36 178.273 177.385 0.888 1
1 359 . 4 1 1 A 37 37 GLY N N 37 107.266 110.966 -3.700 1
1 360 . 4 1 1 A 37 37 GLY H H 37 8.163 8.329 -0.166 1
1 361 . 4 1 1 A 37 37 GLY CA C 37 45.358 45.806 -0.448 1
1 362 . 4 1 1 A 37 37 GLY HA3 H 37 3.964 4.095 -0.131 1
1 363 . 4 1 1 A 37 37 GLY C C 37 174.369 174.588 -0.219 1
1 364 . 4 1 1 A 37 37 GLY HA2 H 37 4.027 4.092 -0.065 1
1 365 . 4 1 1 A 38 38 GLU N N 38 120.486 124.034 -3.548 1
1 366 . 4 1 1 A 38 38 GLU H H 38 8.160 8.652 -0.492 1
1 367 . 4 1 1 A 38 38 GLU CA C 38 56.658 59.145 -2.487 1
1 368 . 4 1 1 A 38 38 GLU HA H 38 4.357 4.287 0.070 1
1 369 . 4 1 1 A 38 38 GLU CB C 38 30.381 30.282 0.099 1
1 373 . 4 1 1 A 38 38 GLU C C 38 176.730 176.498 0.232 1
1 376 . 4 1 1 A 39 39 SER N N 39 116.555 113.221 3.334 1
1 377 . 4 1 1 A 39 39 SER H H 39 8.391 7.618 0.773 1
1 378 . 4 1 1 A 39 39 SER CA C 39 58.397 59.468 -1.071 1
1 379 . 4 1 1 A 39 39 SER HA H 39 4.515 4.292 0.223 1
1 380 . 4 1 1 A 39 39 SER CB C 39 63.960 63.219 0.741 1
1 382 . 4 1 1 A 39 39 SER C C 39 174.602 174.134 0.468 1
1 384 . 4 1 1 A 40 40 GLY N N 40 110.681 111.504 -0.823 1
1 385 . 4 1 1 A 40 40 GLY H H 40 8.239 8.394 -0.155 1
1 386 . 4 1 1 A 40 40 GLY CA C 40 44.666 46.109 -1.443 1
1 387 . 4 1 1 A 40 40 GLY HA3 H 40 4.087 4.057 0.030 1
1 388 . 4 1 1 A 40 40 GLY C C 40 171.769 174.213 -2.444 1
1 389 . 4 1 1 A 40 40 GLY HA2 H 40 4.185 4.057 0.128 1
1 390 . 4 1 1 A 41 41 PRO CA C 41 63.229 64.806 -1.577 1
1 391 . 4 1 1 A 41 41 PRO HA H 41 4.489 4.354 0.135 1
1 392 . 4 1 1 A 41 41 PRO CB C 41 32.192 31.282 0.910 1
1 398 . 4 1 1 A 41 41 PRO C C 41 177.375 178.799 -1.424 1
1 402 . 4 1 1 A 42 42 SER N N 42 116.504 112.729 3.775 1
1 403 . 4 1 1 A 42 42 SER H H 42 8.544 8.200 0.344 1
1 404 . 4 1 1 A 42 42 SER CA C 42 58.364 61.044 -2.680 1
1 405 . 4 1 1 A 42 42 SER HA H 42 4.470 4.286 0.184 1
1 406 . 4 1 1 A 42 42 SER CB C 42 64.062 63.212 0.850 1
1 408 . 4 1 1 A 42 42 SER C C 42 174.704 175.846 -1.142 1
1 410 . 4 1 1 A 43 43 SER N N 43 117.992 114.158 3.834 1
1 411 . 4 1 1 A 43 43 SER H H 43 8.358 7.919 0.439 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.366 46.039 -0.673 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.975 3.963 0.012 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.840 173.303 0.537 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 3.975 3.949 0.026 1
1 5 . 5 1 1 A 8 8 ALA N N 8 123.813 129.131 -5.318 1
1 6 . 5 1 1 A 8 8 ALA H H 8 8.108 8.020 0.088 1
1 7 . 5 1 1 A 8 8 ALA CA C 8 52.400 51.949 0.451 1
1 8 . 5 1 1 A 8 8 ALA HA H 8 4.317 4.324 -0.007 1
1 9 . 5 1 1 A 8 8 ALA CB C 8 19.299 18.253 1.046 1
1 13 . 5 1 1 A 8 8 ALA C C 8 177.523 176.501 1.022 1
1 14 . 5 1 1 A 9 9 ALA N N 9 123.426 126.150 -2.724 1
1 15 . 5 1 1 A 9 9 ALA H H 9 8.272 8.219 0.053 1
1 16 . 5 1 1 A 9 9 ALA CA C 9 52.433 50.537 1.896 1
1 17 . 5 1 1 A 9 9 ALA HA H 9 4.313 4.623 -0.310 1
1 18 . 5 1 1 A 9 9 ALA CB C 9 19.254 19.352 -0.098 1
1 22 . 5 1 1 A 9 9 ALA C C 9 177.795 177.198 0.597 1
1 23 . 5 1 1 A 10 10 LYS N N 10 120.933 122.479 -1.546 1
1 24 . 5 1 1 A 10 10 LYS H H 10 8.368 8.435 -0.067 1
1 25 . 5 1 1 A 10 10 LYS CA C 10 56.323 59.141 -2.818 1
1 26 . 5 1 1 A 10 10 LYS HA H 10 4.427 4.042 0.385 1
1 27 . 5 1 1 A 10 10 LYS CB C 10 33.105 31.994 1.111 1
1 35 . 5 1 1 A 10 10 LYS C C 10 176.978 178.710 -1.732 1
1 40 . 5 1 1 A 11 11 THR N N 11 114.437 113.947 0.490 1
1 41 . 5 1 1 A 11 11 THR H H 11 8.308 7.964 0.344 1
1 42 . 5 1 1 A 11 11 THR CA C 11 61.617 64.736 -3.119 1
1 43 . 5 1 1 A 11 11 THR HA H 11 4.472 4.114 0.358 1
1 44 . 5 1 1 A 11 11 THR CB C 11 69.821 68.989 0.832 1
1 50 . 5 1 1 A 11 11 THR C C 11 174.562 174.622 -0.060 1
1 51 . 5 1 1 A 12 12 THR N N 12 114.598 115.634 -1.036 1
1 52 . 5 1 1 A 12 12 THR H H 12 7.915 7.737 0.178 1
1 53 . 5 1 1 A 12 12 THR CA C 12 61.451 61.555 -0.104 1
1 54 . 5 1 1 A 12 12 THR HA H 12 4.492 4.434 0.058 1
1 55 . 5 1 1 A 12 12 THR CB C 12 70.427 70.057 0.370 1
1 61 . 5 1 1 A 12 12 THR C C 12 174.236 175.049 -0.813 1
1 62 . 5 1 1 A 13 13 SER N N 13 117.902 121.725 -3.823 1
1 63 . 5 1 1 A 13 13 SER H H 13 8.580 8.777 -0.197 1
1 64 . 5 1 1 A 13 13 SER CA C 13 58.138 57.939 0.199 1
1 65 . 5 1 1 A 13 13 SER HA H 13 4.684 4.615 0.069 1
1 66 . 5 1 1 A 13 13 SER CB C 13 65.065 61.471 3.594 1
1 68 . 5 1 1 A 13 13 SER C C 13 172.108 173.669 -1.561 1
1 70 . 5 1 1 A 14 14 GLU N N 14 124.193 124.257 -0.064 1
1 71 . 5 1 1 A 14 14 GLU H H 14 8.386 8.869 -0.483 1
1 72 . 5 1 1 A 14 14 GLU CA C 14 54.181 56.616 -2.435 1
1 73 . 5 1 1 A 14 14 GLU HA H 14 5.048 4.826 0.222 1
1 74 . 5 1 1 A 14 14 GLU CB C 14 33.085 30.754 2.331 1
1 78 . 5 1 1 A 14 14 GLU C C 14 175.059 176.169 -1.110 1
1 81 . 5 1 1 A 15 15 CYS N N 15 126.927 124.580 2.347 1
1 82 . 5 1 1 A 15 15 CYS H H 15 9.263 8.928 0.335 1
1 83 . 5 1 1 A 15 15 CYS CA C 15 59.573 58.381 1.192 1
1 84 . 5 1 1 A 15 15 CYS HA H 15 4.562 4.671 -0.109 1
1 85 . 5 1 1 A 15 15 CYS CB C 15 29.667 27.734 1.933 1
1 87 . 5 1 1 A 15 15 CYS C C 15 177.427 176.099 1.328 1
1 89 . 5 1 1 A 16 16 GLN N N 16 131.467 126.984 4.483 1
1 90 . 5 1 1 A 16 16 GLN H H 16 9.521 8.769 0.752 1
1 91 . 5 1 1 A 16 16 GLN CA C 16 57.973 58.167 -0.194 1
1 92 . 5 1 1 A 16 16 GLN HA H 16 4.175 4.077 0.098 1
1 93 . 5 1 1 A 16 16 GLN CB C 16 28.562 28.030 0.532 1
1 100 . 5 1 1 A 16 16 GLN C C 16 176.140 177.924 -1.784 1
1 103 . 5 1 1 A 17 17 GLU N N 17 120.316 118.489 1.827 1
1 104 . 5 1 1 A 17 17 GLU H H 17 8.682 8.117 0.565 1
1 105 . 5 1 1 A 17 17 GLU CA C 17 58.362 58.817 -0.455 1
1 106 . 5 1 1 A 17 17 GLU HA H 17 4.233 4.031 0.202 1
1 107 . 5 1 1 A 17 17 GLU CB C 17 29.552 29.349 0.203 1
1 111 . 5 1 1 A 17 17 GLU C C 17 177.303 178.203 -0.900 1
1 114 . 5 1 1 A 18 18 CYS N N 18 114.810 115.018 -0.208 1
1 115 . 5 1 1 A 18 18 CYS H H 18 8.042 8.056 -0.014 1
1 116 . 5 1 1 A 18 18 CYS CA C 18 58.513 59.486 -0.973 1
1 117 . 5 1 1 A 18 18 CYS HA H 18 5.154 4.688 0.466 1
1 118 . 5 1 1 A 18 18 CYS CB C 18 32.408 30.222 2.186 1
1 120 . 5 1 1 A 18 18 CYS C C 18 176.323 175.546 0.777 1
1 122 . 5 1 1 A 19 19 GLY N N 19 113.476 110.134 3.342 1
1 123 . 5 1 1 A 19 19 GLY H H 19 8.183 8.625 -0.442 1
1 124 . 5 1 1 A 19 19 GLY CA C 19 46.149 45.510 0.639 1
1 125 . 5 1 1 A 19 19 GLY HA3 H 19 4.200 4.042 0.158 1
1 126 . 5 1 1 A 19 19 GLY C C 19 173.814 174.334 -0.520 1
1 127 . 5 1 1 A 19 19 GLY HA2 H 19 3.921 4.035 -0.114 1
1 128 . 5 1 1 A 20 20 LYS N N 20 122.183 120.362 1.821 1
1 129 . 5 1 1 A 20 20 LYS H H 20 7.830 7.730 0.100 1
1 130 . 5 1 1 A 20 20 LYS CA C 20 58.063 54.710 3.353 1
1 131 . 5 1 1 A 20 20 LYS HA H 20 3.979 4.488 -0.509 1
1 132 . 5 1 1 A 20 20 LYS CB C 20 34.034 34.079 -0.045 1
1 140 . 5 1 1 A 20 20 LYS C C 20 174.133 175.293 -1.160 1
1 145 . 5 1 1 A 21 21 ILE N N 21 120.927 127.739 -6.812 1
1 146 . 5 1 1 A 21 21 ILE H H 21 7.770 8.473 -0.703 1
1 147 . 5 1 1 A 21 21 ILE CA C 21 60.180 61.041 -0.861 1
1 148 . 5 1 1 A 21 21 ILE HA H 21 4.452 4.177 0.275 1
1 149 . 5 1 1 A 21 21 ILE CB C 21 39.694 37.966 1.728 1
1 161 . 5 1 1 A 21 21 ILE C C 21 175.461 175.284 0.177 1
1 163 . 5 1 1 A 22 22 PHE N N 22 123.258 124.888 -1.630 1
1 164 . 5 1 1 A 22 22 PHE H H 22 8.648 8.734 -0.086 1
1 165 . 5 1 1 A 22 22 PHE CA C 22 56.828 56.162 0.666 1
1 166 . 5 1 1 A 22 22 PHE HA H 22 4.710 4.885 -0.175 1
1 167 . 5 1 1 A 22 22 PHE CB C 22 43.452 42.180 1.272 1
1 179 . 5 1 1 A 22 22 PHE C C 22 176.151 175.731 0.420 1
1 181 . 5 1 1 A 23 23 ARG N N 23 119.153 124.850 -5.697 1
1 182 . 5 1 1 A 23 23 ARG H H 23 9.094 8.911 0.183 1
1 183 . 5 1 1 A 23 23 ARG CA C 23 57.288 59.499 -2.211 1
1 184 . 5 1 1 A 23 23 ARG HA H 23 4.241 3.996 0.245 1
1 185 . 5 1 1 A 23 23 ARG CB C 23 30.571 30.711 -0.140 1
1 191 . 5 1 1 A 23 23 ARG C C 23 174.928 175.969 -1.041 1
1 195 . 5 1 1 A 24 24 HIS N N 24 113.877 113.320 0.557 1
1 196 . 5 1 1 A 24 24 HIS H H 24 7.141 7.422 -0.281 1
1 197 . 5 1 1 A 24 24 HIS CA C 24 56.129 53.714 2.415 1
1 198 . 5 1 1 A 24 24 HIS HA H 24 4.863 4.900 -0.037 1
1 199 . 5 1 1 A 24 24 HIS CB C 24 34.501 32.505 1.996 1
1 205 . 5 1 1 A 24 24 HIS C C 24 176.303 176.087 0.216 1
1 207 . 5 1 1 A 25 25 SER CA C 25 61.779 62.486 -0.707 1
1 208 . 5 1 1 A 25 25 SER HA H 25 4.060 3.980 0.080 1
1 209 . 5 1 1 A 25 25 SER CB C 25 62.462 62.978 -0.516 1
1 212 . 5 1 1 A 26 26 SER N N 26 119.893 116.408 3.485 1
1 213 . 5 1 1 A 26 26 SER H H 26 9.650 8.235 1.415 1
1 214 . 5 1 1 A 26 26 SER CA C 26 61.866 62.530 -0.664 1
1 215 . 5 1 1 A 26 26 SER HA H 26 3.950 4.157 -0.207 1
1 216 . 5 1 1 A 26 26 SER CB C 26 61.788 62.722 -0.934 1
1 218 . 5 1 1 A 26 26 SER C C 26 176.964 176.512 0.452 1
1 220 . 5 1 1 A 27 27 LEU N N 27 121.674 120.969 0.705 1
1 221 . 5 1 1 A 27 27 LEU H H 27 7.141 7.910 -0.769 1
1 222 . 5 1 1 A 27 27 LEU CA C 27 56.669 57.977 -1.308 1
1 223 . 5 1 1 A 27 27 LEU HA H 27 4.170 3.819 0.351 1
1 224 . 5 1 1 A 27 27 LEU CB C 27 41.962 41.480 0.482 1
1 236 . 5 1 1 A 27 27 LEU C C 27 179.312 178.918 0.394 1
1 238 . 5 1 1 A 28 28 LEU N N 28 121.976 119.193 2.783 1
1 239 . 5 1 1 A 28 28 LEU H H 28 7.075 7.898 -0.823 1
1 240 . 5 1 1 A 28 28 LEU CA C 28 57.616 57.435 0.181 1
1 241 . 5 1 1 A 28 28 LEU HA H 28 3.216 2.671 0.545 1
1 242 . 5 1 1 A 28 28 LEU CB C 28 40.475 41.235 -0.760 1
1 254 . 5 1 1 A 28 28 LEU C C 28 177.651 178.338 -0.687 1
1 256 . 5 1 1 A 29 29 ILE N N 29 119.789 119.420 0.369 1
1 257 . 5 1 1 A 29 29 ILE H H 29 7.956 8.430 -0.474 1
1 258 . 5 1 1 A 29 29 ILE CA C 29 64.818 65.347 -0.529 1
1 259 . 5 1 1 A 29 29 ILE HA H 29 3.770 3.481 0.289 1
1 260 . 5 1 1 A 29 29 ILE CB C 29 37.729 37.792 -0.063 1
1 272 . 5 1 1 A 29 29 ILE C C 29 179.269 177.626 1.643 1
1 274 . 5 1 1 A 30 30 GLU N N 30 119.089 119.399 -0.310 1
1 275 . 5 1 1 A 30 30 GLU H H 30 7.425 8.002 -0.577 1
1 276 . 5 1 1 A 30 30 GLU CA C 30 59.239 59.468 -0.229 1
1 277 . 5 1 1 A 30 30 GLU HA H 30 4.030 3.979 0.051 1
1 278 . 5 1 1 A 30 30 GLU CB C 30 29.976 29.347 0.629 1
1 282 . 5 1 1 A 30 30 GLU C C 30 178.534 178.518 0.016 1
1 285 . 5 1 1 A 31 31 HIS N N 31 118.679 120.635 -1.956 1
1 286 . 5 1 1 A 31 31 HIS H H 31 7.493 7.818 -0.325 1
1 287 . 5 1 1 A 31 31 HIS CA C 31 58.956 59.441 -0.485 1
1 288 . 5 1 1 A 31 31 HIS HA H 31 4.224 4.145 0.079 1
1 289 . 5 1 1 A 31 31 HIS CB C 31 28.605 29.477 -0.872 1
1 295 . 5 1 1 A 31 31 HIS C C 31 176.314 177.156 -0.842 1
1 297 . 5 1 1 A 32 32 GLN N N 32 116.911 117.537 -0.626 1
1 298 . 5 1 1 A 32 32 GLN H H 32 8.454 8.612 -0.158 1
1 299 . 5 1 1 A 32 32 GLN CA C 32 59.194 59.046 0.148 1
1 300 . 5 1 1 A 32 32 GLN HA H 32 3.772 3.832 -0.060 1
1 301 . 5 1 1 A 32 32 GLN CB C 32 28.057 28.158 -0.101 1
1 308 . 5 1 1 A 32 32 GLN C C 32 178.135 178.072 0.063 1
1 311 . 5 1 1 A 33 33 ALA N N 33 121.580 121.564 0.016 1
1 312 . 5 1 1 A 33 33 ALA H H 33 7.279 7.547 -0.268 1
1 313 . 5 1 1 A 33 33 ALA CA C 33 54.593 54.863 -0.270 1
1 314 . 5 1 1 A 33 33 ALA HA H 33 4.163 4.029 0.134 1
1 315 . 5 1 1 A 33 33 ALA CB C 33 18.182 18.535 -0.353 1
1 319 . 5 1 1 A 33 33 ALA C C 33 179.581 179.820 -0.239 1
1 320 . 5 1 1 A 34 34 LEU N N 34 117.524 117.073 0.451 1
1 321 . 5 1 1 A 34 34 LEU H H 34 7.733 7.570 0.163 1
1 322 . 5 1 1 A 34 34 LEU CA C 34 56.653 57.877 -1.224 1
1 323 . 5 1 1 A 34 34 LEU HA H 34 4.058 3.883 0.175 1
1 324 . 5 1 1 A 34 34 LEU CB C 34 41.217 41.154 0.063 1
1 336 . 5 1 1 A 34 34 LEU C C 34 179.011 178.321 0.690 1
1 338 . 5 1 1 A 35 35 HIS N N 35 115.390 118.698 -3.308 1
1 339 . 5 1 1 A 35 35 HIS H H 35 7.175 8.136 -0.961 1
1 340 . 5 1 1 A 35 35 HIS CA C 35 55.525 59.129 -3.604 1
1 341 . 5 1 1 A 35 35 HIS HA H 35 4.738 4.250 0.488 1
1 342 . 5 1 1 A 35 35 HIS CB C 35 28.715 29.734 -1.019 1
1 348 . 5 1 1 A 35 35 HIS C C 35 175.385 177.582 -2.197 1
1 350 . 5 1 1 A 36 36 ALA N N 36 122.651 119.629 3.022 1
1 351 . 5 1 1 A 36 36 ALA H H 36 7.634 7.422 0.212 1
1 352 . 5 1 1 A 36 36 ALA CA C 36 53.281 54.579 -1.298 1
1 353 . 5 1 1 A 36 36 ALA HA H 36 4.328 4.019 0.309 1
1 354 . 5 1 1 A 36 36 ALA CB C 36 19.154 19.671 -0.517 1
1 358 . 5 1 1 A 36 36 ALA C C 36 178.273 178.136 0.137 1
1 359 . 5 1 1 A 37 37 GLY N N 37 107.266 102.860 4.406 1
1 360 . 5 1 1 A 37 37 GLY H H 37 8.163 7.637 0.526 1
1 361 . 5 1 1 A 37 37 GLY CA C 37 45.358 45.523 -0.165 1
1 362 . 5 1 1 A 37 37 GLY HA3 H 37 3.964 4.089 -0.125 1
1 363 . 5 1 1 A 37 37 GLY C C 37 174.369 174.432 -0.063 1
1 364 . 5 1 1 A 37 37 GLY HA2 H 37 4.027 4.081 -0.054 1
1 365 . 5 1 1 A 38 38 GLU N N 38 120.486 122.840 -2.354 1
1 366 . 5 1 1 A 38 38 GLU H H 38 8.160 8.790 -0.630 1
1 367 . 5 1 1 A 38 38 GLU CA C 38 56.658 58.469 -1.811 1
1 368 . 5 1 1 A 38 38 GLU HA H 38 4.357 4.056 0.301 1
1 369 . 5 1 1 A 38 38 GLU CB C 38 30.381 29.997 0.384 1
1 373 . 5 1 1 A 38 38 GLU C C 38 176.730 177.600 -0.870 1
1 376 . 5 1 1 A 39 39 SER N N 39 116.555 114.295 2.260 1
1 377 . 5 1 1 A 39 39 SER H H 39 8.391 8.155 0.236 1
1 378 . 5 1 1 A 39 39 SER CA C 39 58.397 60.922 -2.525 1
1 379 . 5 1 1 A 39 39 SER HA H 39 4.515 4.279 0.236 1
1 380 . 5 1 1 A 39 39 SER CB C 39 63.960 63.774 0.186 1
1 382 . 5 1 1 A 39 39 SER C C 39 174.602 175.329 -0.727 1
1 384 . 5 1 1 A 40 40 GLY N N 40 110.681 107.535 3.146 1
1 385 . 5 1 1 A 40 40 GLY H H 40 8.239 7.512 0.727 1
1 386 . 5 1 1 A 40 40 GLY CA C 40 44.666 46.113 -1.447 1
1 387 . 5 1 1 A 40 40 GLY HA3 H 40 4.087 4.085 0.002 1
1 388 . 5 1 1 A 40 40 GLY C C 40 171.769 173.308 -1.539 1
1 389 . 5 1 1 A 40 40 GLY HA2 H 40 4.185 4.084 0.101 1
1 390 . 5 1 1 A 41 41 PRO CA C 41 63.229 62.530 0.699 1
1 391 . 5 1 1 A 41 41 PRO HA H 41 4.489 4.614 -0.125 1
1 392 . 5 1 1 A 41 41 PRO CB C 41 32.192 33.014 -0.822 1
1 398 . 5 1 1 A 41 41 PRO C C 41 177.375 176.066 1.309 1
1 402 . 5 1 1 A 42 42 SER N N 42 116.504 113.657 2.847 1
1 403 . 5 1 1 A 42 42 SER H H 42 8.544 8.445 0.099 1
1 404 . 5 1 1 A 42 42 SER CA C 42 58.364 56.709 1.655 1
1 405 . 5 1 1 A 42 42 SER HA H 42 4.470 5.102 -0.632 1
1 406 . 5 1 1 A 42 42 SER CB C 42 64.062 66.279 -2.217 1
1 408 . 5 1 1 A 42 42 SER C C 42 174.704 173.591 1.113 1
1 410 . 5 1 1 A 43 43 SER N N 43 117.992 118.273 -0.281 1
1 411 . 5 1 1 A 43 43 SER H H 43 8.358 8.859 -0.501 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.366 45.325 0.041 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.975 4.147 -0.172 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.840 174.848 -1.008 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 3.975 4.140 -0.165 1
1 5 . 6 1 1 A 8 8 ALA N N 8 123.813 121.539 2.274 1
1 6 . 6 1 1 A 8 8 ALA H H 8 8.108 8.059 0.049 1
1 7 . 6 1 1 A 8 8 ALA CA C 8 52.400 53.670 -1.270 1
1 8 . 6 1 1 A 8 8 ALA HA H 8 4.317 4.438 -0.121 1
1 9 . 6 1 1 A 8 8 ALA CB C 8 19.299 20.129 -0.830 1
1 13 . 6 1 1 A 8 8 ALA C C 8 177.523 178.348 -0.825 1
1 14 . 6 1 1 A 9 9 ALA N N 9 123.426 119.891 3.535 1
1 15 . 6 1 1 A 9 9 ALA H H 9 8.272 7.851 0.421 1
1 16 . 6 1 1 A 9 9 ALA CA C 9 52.433 55.258 -2.825 1
1 17 . 6 1 1 A 9 9 ALA HA H 9 4.313 4.207 0.106 1
1 18 . 6 1 1 A 9 9 ALA CB C 9 19.254 18.917 0.337 1
1 22 . 6 1 1 A 9 9 ALA C C 9 177.795 178.169 -0.374 1
1 23 . 6 1 1 A 10 10 LYS N N 10 120.933 116.741 4.192 1
1 24 . 6 1 1 A 10 10 LYS H H 10 8.368 7.833 0.535 1
1 25 . 6 1 1 A 10 10 LYS CA C 10 56.323 56.558 -0.235 1
1 26 . 6 1 1 A 10 10 LYS HA H 10 4.427 4.343 0.084 1
1 27 . 6 1 1 A 10 10 LYS CB C 10 33.105 32.720 0.385 1
1 35 . 6 1 1 A 10 10 LYS C C 10 176.978 176.298 0.680 1
1 40 . 6 1 1 A 11 11 THR N N 11 114.437 118.157 -3.720 1
1 41 . 6 1 1 A 11 11 THR H H 11 8.308 8.582 -0.274 1
1 42 . 6 1 1 A 11 11 THR CA C 11 61.617 61.931 -0.314 1
1 43 . 6 1 1 A 11 11 THR HA H 11 4.472 4.643 -0.171 1
1 44 . 6 1 1 A 11 11 THR CB C 11 69.821 69.545 0.276 1
1 50 . 6 1 1 A 11 11 THR C C 11 174.562 173.608 0.954 1
1 51 . 6 1 1 A 12 12 THR N N 12 114.598 125.207 -10.609 1
1 52 . 6 1 1 A 12 12 THR H H 12 7.915 8.977 -1.062 1
1 53 . 6 1 1 A 12 12 THR CA C 12 61.451 61.025 0.426 1
1 54 . 6 1 1 A 12 12 THR HA H 12 4.492 4.856 -0.364 1
1 55 . 6 1 1 A 12 12 THR CB C 12 70.427 72.770 -2.343 1
1 61 . 6 1 1 A 12 12 THR C C 12 174.236 173.591 0.645 1
1 62 . 6 1 1 A 13 13 SER N N 13 117.902 121.288 -3.386 1
1 63 . 6 1 1 A 13 13 SER H H 13 8.580 8.647 -0.067 1
1 64 . 6 1 1 A 13 13 SER CA C 13 58.138 58.110 0.028 1
1 65 . 6 1 1 A 13 13 SER HA H 13 4.684 4.558 0.126 1
1 66 . 6 1 1 A 13 13 SER CB C 13 65.065 61.499 3.566 1
1 68 . 6 1 1 A 13 13 SER C C 13 172.108 173.729 -1.621 1
1 70 . 6 1 1 A 14 14 GLU N N 14 124.193 125.127 -0.934 1
1 71 . 6 1 1 A 14 14 GLU H H 14 8.386 8.951 -0.565 1
1 72 . 6 1 1 A 14 14 GLU CA C 14 54.181 55.936 -1.755 1
1 73 . 6 1 1 A 14 14 GLU HA H 14 5.048 5.065 -0.017 1
1 74 . 6 1 1 A 14 14 GLU CB C 14 33.085 31.194 1.891 1
1 78 . 6 1 1 A 14 14 GLU C C 14 175.059 176.150 -1.091 1
1 81 . 6 1 1 A 15 15 CYS N N 15 126.927 124.860 2.067 1
1 82 . 6 1 1 A 15 15 CYS H H 15 9.263 9.227 0.036 1
1 83 . 6 1 1 A 15 15 CYS CA C 15 59.573 58.344 1.229 1
1 84 . 6 1 1 A 15 15 CYS HA H 15 4.562 4.665 -0.103 1
1 85 . 6 1 1 A 15 15 CYS CB C 15 29.667 28.411 1.256 1
1 87 . 6 1 1 A 15 15 CYS C C 15 177.427 176.073 1.354 1
1 89 . 6 1 1 A 16 16 GLN N N 16 131.467 127.096 4.371 1
1 90 . 6 1 1 A 16 16 GLN H H 16 9.521 8.755 0.766 1
1 91 . 6 1 1 A 16 16 GLN CA C 16 57.973 58.179 -0.206 1
1 92 . 6 1 1 A 16 16 GLN HA H 16 4.175 4.059 0.116 1
1 93 . 6 1 1 A 16 16 GLN CB C 16 28.562 28.088 0.474 1
1 100 . 6 1 1 A 16 16 GLN C C 16 176.140 177.842 -1.702 1
1 103 . 6 1 1 A 17 17 GLU N N 17 120.316 118.783 1.533 1
1 104 . 6 1 1 A 17 17 GLU H H 17 8.682 8.152 0.530 1
1 105 . 6 1 1 A 17 17 GLU CA C 17 58.362 58.708 -0.346 1
1 106 . 6 1 1 A 17 17 GLU HA H 17 4.233 4.009 0.224 1
1 107 . 6 1 1 A 17 17 GLU CB C 17 29.552 29.136 0.416 1
1 111 . 6 1 1 A 17 17 GLU C C 17 177.303 178.071 -0.768 1
1 114 . 6 1 1 A 18 18 CYS N N 18 114.810 114.961 -0.151 1
1 115 . 6 1 1 A 18 18 CYS H H 18 8.042 7.957 0.085 1
1 116 . 6 1 1 A 18 18 CYS CA C 18 58.513 59.534 -1.021 1
1 117 . 6 1 1 A 18 18 CYS HA H 18 5.154 4.681 0.473 1
1 118 . 6 1 1 A 18 18 CYS CB C 18 32.408 30.078 2.330 1
1 120 . 6 1 1 A 18 18 CYS C C 18 176.323 175.523 0.800 1
1 122 . 6 1 1 A 19 19 GLY N N 19 113.476 110.124 3.352 1
1 123 . 6 1 1 A 19 19 GLY H H 19 8.183 8.439 -0.256 1
1 124 . 6 1 1 A 19 19 GLY CA C 19 46.149 45.413 0.736 1
1 125 . 6 1 1 A 19 19 GLY HA3 H 19 4.200 4.043 0.157 1
1 126 . 6 1 1 A 19 19 GLY C C 19 173.814 174.299 -0.485 1
1 127 . 6 1 1 A 19 19 GLY HA2 H 19 3.921 4.036 -0.115 1
1 128 . 6 1 1 A 20 20 LYS N N 20 122.183 120.382 1.801 1
1 129 . 6 1 1 A 20 20 LYS H H 20 7.830 7.735 0.095 1
1 130 . 6 1 1 A 20 20 LYS CA C 20 58.063 54.565 3.498 1
1 131 . 6 1 1 A 20 20 LYS HA H 20 3.979 4.492 -0.513 1
1 132 . 6 1 1 A 20 20 LYS CB C 20 34.034 34.084 -0.050 1
1 140 . 6 1 1 A 20 20 LYS C C 20 174.133 175.152 -1.019 1
1 145 . 6 1 1 A 21 21 ILE N N 21 120.927 127.963 -7.036 1
1 146 . 6 1 1 A 21 21 ILE H H 21 7.770 8.306 -0.536 1
1 147 . 6 1 1 A 21 21 ILE CA C 21 60.180 60.444 -0.264 1
1 148 . 6 1 1 A 21 21 ILE HA H 21 4.452 4.404 0.048 1
1 149 . 6 1 1 A 21 21 ILE CB C 21 39.694 37.809 1.885 1
1 161 . 6 1 1 A 21 21 ILE C C 21 175.461 174.991 0.470 1
1 163 . 6 1 1 A 22 22 PHE N N 22 123.258 124.896 -1.638 1
1 164 . 6 1 1 A 22 22 PHE H H 22 8.648 8.568 0.080 1
1 165 . 6 1 1 A 22 22 PHE CA C 22 56.828 56.474 0.354 1
1 166 . 6 1 1 A 22 22 PHE HA H 22 4.710 4.844 -0.134 1
1 167 . 6 1 1 A 22 22 PHE CB C 22 43.452 41.739 1.713 1
1 179 . 6 1 1 A 22 22 PHE C C 22 176.151 175.737 0.414 1
1 181 . 6 1 1 A 23 23 ARG N N 23 119.153 126.170 -7.017 1
1 182 . 6 1 1 A 23 23 ARG H H 23 9.094 8.928 0.166 1
1 183 . 6 1 1 A 23 23 ARG CA C 23 57.288 59.722 -2.434 1
1 184 . 6 1 1 A 23 23 ARG HA H 23 4.241 3.960 0.281 1
1 185 . 6 1 1 A 23 23 ARG CB C 23 30.571 30.394 0.177 1
1 191 . 6 1 1 A 23 23 ARG C C 23 174.928 175.907 -0.979 1
1 195 . 6 1 1 A 24 24 HIS N N 24 113.877 113.706 0.171 1
1 196 . 6 1 1 A 24 24 HIS H H 24 7.141 7.442 -0.301 1
1 197 . 6 1 1 A 24 24 HIS CA C 24 56.129 53.735 2.394 1
1 198 . 6 1 1 A 24 24 HIS HA H 24 4.863 4.883 -0.020 1
1 199 . 6 1 1 A 24 24 HIS CB C 24 34.501 32.308 2.193 1
1 205 . 6 1 1 A 24 24 HIS C C 24 176.303 176.091 0.212 1
1 207 . 6 1 1 A 25 25 SER CA C 25 61.779 61.564 0.215 1
1 208 . 6 1 1 A 25 25 SER HA H 25 4.060 4.054 0.006 1
1 209 . 6 1 1 A 25 25 SER CB C 25 62.462 62.609 -0.147 1
1 212 . 6 1 1 A 26 26 SER N N 26 119.893 116.947 2.946 1
1 213 . 6 1 1 A 26 26 SER H H 26 9.650 8.236 1.414 1
1 214 . 6 1 1 A 26 26 SER CA C 26 61.866 62.574 -0.708 1
1 215 . 6 1 1 A 26 26 SER HA H 26 3.950 4.147 -0.197 1
1 216 . 6 1 1 A 26 26 SER CB C 26 61.788 62.795 -1.007 1
1 218 . 6 1 1 A 26 26 SER C C 26 176.964 176.583 0.381 1
1 220 . 6 1 1 A 27 27 LEU N N 27 121.674 120.600 1.074 1
1 221 . 6 1 1 A 27 27 LEU H H 27 7.141 7.685 -0.544 1
1 222 . 6 1 1 A 27 27 LEU CA C 27 56.669 58.040 -1.371 1
1 223 . 6 1 1 A 27 27 LEU HA H 27 4.170 3.825 0.345 1
1 224 . 6 1 1 A 27 27 LEU CB C 27 41.962 41.547 0.415 1
1 236 . 6 1 1 A 27 27 LEU C C 27 179.312 179.008 0.304 1
1 238 . 6 1 1 A 28 28 LEU N N 28 121.976 119.386 2.590 1
1 239 . 6 1 1 A 28 28 LEU H H 28 7.075 7.915 -0.840 1
1 240 . 6 1 1 A 28 28 LEU CA C 28 57.616 57.370 0.246 1
1 241 . 6 1 1 A 28 28 LEU HA H 28 3.216 2.666 0.550 1
1 242 . 6 1 1 A 28 28 LEU CB C 28 40.475 41.502 -1.027 1
1 254 . 6 1 1 A 28 28 LEU C C 28 177.651 178.631 -0.980 1
1 256 . 6 1 1 A 29 29 ILE N N 29 119.789 119.189 0.600 1
1 257 . 6 1 1 A 29 29 ILE H H 29 7.956 8.334 -0.378 1
1 258 . 6 1 1 A 29 29 ILE CA C 29 64.818 65.441 -0.623 1
1 259 . 6 1 1 A 29 29 ILE HA H 29 3.770 3.454 0.316 1
1 260 . 6 1 1 A 29 29 ILE CB C 29 37.729 37.605 0.124 1
1 272 . 6 1 1 A 29 29 ILE C C 29 179.269 178.080 1.189 1
1 274 . 6 1 1 A 30 30 GLU N N 30 119.089 119.853 -0.764 1
1 275 . 6 1 1 A 30 30 GLU H H 30 7.425 7.914 -0.489 1
1 276 . 6 1 1 A 30 30 GLU CA C 30 59.239 59.448 -0.209 1
1 277 . 6 1 1 A 30 30 GLU HA H 30 4.030 3.966 0.064 1
1 278 . 6 1 1 A 30 30 GLU CB C 30 29.976 29.203 0.773 1
1 282 . 6 1 1 A 30 30 GLU C C 30 178.534 178.587 -0.053 1
1 285 . 6 1 1 A 31 31 HIS N N 31 118.679 120.512 -1.833 1
1 286 . 6 1 1 A 31 31 HIS H H 31 7.493 7.770 -0.277 1
1 287 . 6 1 1 A 31 31 HIS CA C 31 58.956 59.424 -0.468 1
1 288 . 6 1 1 A 31 31 HIS HA H 31 4.224 4.137 0.087 1
1 289 . 6 1 1 A 31 31 HIS CB C 31 28.605 29.489 -0.884 1
1 295 . 6 1 1 A 31 31 HIS C C 31 176.314 177.273 -0.959 1
1 297 . 6 1 1 A 32 32 GLN N N 32 116.911 117.702 -0.791 1
1 298 . 6 1 1 A 32 32 GLN H H 32 8.454 8.647 -0.193 1
1 299 . 6 1 1 A 32 32 GLN CA C 32 59.194 59.057 0.137 1
1 300 . 6 1 1 A 32 32 GLN HA H 32 3.772 3.873 -0.101 1
1 301 . 6 1 1 A 32 32 GLN CB C 32 28.057 28.145 -0.088 1
1 308 . 6 1 1 A 32 32 GLN C C 32 178.135 178.082 0.053 1
1 311 . 6 1 1 A 33 33 ALA N N 33 121.580 121.730 -0.150 1
1 312 . 6 1 1 A 33 33 ALA H H 33 7.279 7.546 -0.267 1
1 313 . 6 1 1 A 33 33 ALA CA C 33 54.593 54.930 -0.337 1
1 314 . 6 1 1 A 33 33 ALA HA H 33 4.163 4.058 0.105 1
1 315 . 6 1 1 A 33 33 ALA CB C 33 18.182 18.525 -0.343 1
1 319 . 6 1 1 A 33 33 ALA C C 33 179.581 179.789 -0.208 1
1 320 . 6 1 1 A 34 34 LEU N N 34 117.524 116.801 0.723 1
1 321 . 6 1 1 A 34 34 LEU H H 34 7.733 7.633 0.100 1
1 322 . 6 1 1 A 34 34 LEU CA C 34 56.653 57.864 -1.211 1
1 323 . 6 1 1 A 34 34 LEU HA H 34 4.058 3.860 0.198 1
1 324 . 6 1 1 A 34 34 LEU CB C 34 41.217 41.152 0.065 1
1 336 . 6 1 1 A 34 34 LEU C C 34 179.011 178.605 0.406 1
1 338 . 6 1 1 A 35 35 HIS N N 35 115.390 118.537 -3.147 1
1 339 . 6 1 1 A 35 35 HIS H H 35 7.175 8.172 -0.997 1
1 340 . 6 1 1 A 35 35 HIS CA C 35 55.525 59.454 -3.929 1
1 341 . 6 1 1 A 35 35 HIS HA H 35 4.738 4.392 0.346 1
1 342 . 6 1 1 A 35 35 HIS CB C 35 28.715 29.291 -0.576 1
1 348 . 6 1 1 A 35 35 HIS C C 35 175.385 177.744 -2.359 1
1 350 . 6 1 1 A 36 36 ALA N N 36 122.651 121.996 0.655 1
1 351 . 6 1 1 A 36 36 ALA H H 36 7.634 8.156 -0.522 1
1 352 . 6 1 1 A 36 36 ALA CA C 36 53.281 55.313 -2.032 1
1 353 . 6 1 1 A 36 36 ALA HA H 36 4.328 3.963 0.365 1
1 354 . 6 1 1 A 36 36 ALA CB C 36 19.154 18.148 1.006 1
1 358 . 6 1 1 A 36 36 ALA C C 36 178.273 180.108 -1.835 1
1 359 . 6 1 1 A 37 37 GLY N N 37 107.266 106.674 0.592 1
1 360 . 6 1 1 A 37 37 GLY H H 37 8.163 8.342 -0.179 1
1 361 . 6 1 1 A 37 37 GLY CA C 37 45.358 47.520 -2.162 1
1 362 . 6 1 1 A 37 37 GLY HA3 H 37 3.964 3.914 0.050 1
1 363 . 6 1 1 A 37 37 GLY C C 37 174.369 173.971 0.398 1
1 364 . 6 1 1 A 37 37 GLY HA2 H 37 4.027 3.906 0.121 1
1 365 . 6 1 1 A 38 38 GLU N N 38 120.486 114.016 6.470 1
1 366 . 6 1 1 A 38 38 GLU H H 38 8.160 7.651 0.509 1
1 367 . 6 1 1 A 38 38 GLU CA C 38 56.658 55.067 1.591 1
1 368 . 6 1 1 A 38 38 GLU HA H 38 4.357 4.807 -0.450 1
1 369 . 6 1 1 A 38 38 GLU CB C 38 30.381 32.867 -2.486 1
1 373 . 6 1 1 A 38 38 GLU C C 38 176.730 174.702 2.028 1
1 376 . 6 1 1 A 39 39 SER N N 39 116.555 114.482 2.073 1
1 377 . 6 1 1 A 39 39 SER H H 39 8.391 8.812 -0.421 1
1 378 . 6 1 1 A 39 39 SER CA C 39 58.397 56.936 1.461 1
1 379 . 6 1 1 A 39 39 SER HA H 39 4.515 4.848 -0.333 1
1 380 . 6 1 1 A 39 39 SER CB C 39 63.960 66.310 -2.350 1
1 382 . 6 1 1 A 39 39 SER C C 39 174.602 173.156 1.446 1
1 384 . 6 1 1 A 40 40 GLY N N 40 110.681 110.861 -0.180 1
1 385 . 6 1 1 A 40 40 GLY H H 40 8.239 8.538 -0.299 1
1 386 . 6 1 1 A 40 40 GLY CA C 40 44.666 44.154 0.512 1
1 387 . 6 1 1 A 40 40 GLY HA3 H 40 4.087 4.247 -0.160 1
1 388 . 6 1 1 A 40 40 GLY C C 40 171.769 172.452 -0.683 1
1 389 . 6 1 1 A 40 40 GLY HA2 H 40 4.185 4.246 -0.061 1
1 390 . 6 1 1 A 41 41 PRO CA C 41 63.229 62.838 0.391 1
1 391 . 6 1 1 A 41 41 PRO HA H 41 4.489 4.687 -0.198 1
1 392 . 6 1 1 A 41 41 PRO CB C 41 32.192 31.648 0.544 1
1 398 . 6 1 1 A 41 41 PRO C C 41 177.375 176.467 0.908 1
1 402 . 6 1 1 A 42 42 SER N N 42 116.504 118.358 -1.854 1
1 403 . 6 1 1 A 42 42 SER H H 42 8.544 8.555 -0.011 1
1 404 . 6 1 1 A 42 42 SER CA C 42 58.364 57.612 0.752 1
1 405 . 6 1 1 A 42 42 SER HA H 42 4.470 4.696 -0.226 1
1 406 . 6 1 1 A 42 42 SER CB C 42 64.062 64.557 -0.495 1
1 408 . 6 1 1 A 42 42 SER C C 42 174.704 173.936 0.768 1
1 410 . 6 1 1 A 43 43 SER N N 43 117.992 119.358 -1.366 1
1 411 . 6 1 1 A 43 43 SER H H 43 8.358 8.742 -0.384 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.366 45.721 -0.355 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.975 4.077 -0.102 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.840 173.544 0.296 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 3.975 4.071 -0.096 1
1 5 . 7 1 1 A 8 8 ALA N N 8 123.813 126.873 -3.060 1
1 6 . 7 1 1 A 8 8 ALA H H 8 8.108 8.581 -0.473 1
1 7 . 7 1 1 A 8 8 ALA CA C 8 52.400 51.456 0.944 1
1 8 . 7 1 1 A 8 8 ALA HA H 8 4.317 4.451 -0.134 1
1 9 . 7 1 1 A 8 8 ALA CB C 8 19.299 17.819 1.480 1
1 13 . 7 1 1 A 8 8 ALA C C 8 177.523 175.764 1.759 1
1 14 . 7 1 1 A 9 9 ALA N N 9 123.426 121.600 1.826 1
1 15 . 7 1 1 A 9 9 ALA H H 9 8.272 7.568 0.704 1
1 16 . 7 1 1 A 9 9 ALA CA C 9 52.433 51.935 0.498 1
1 17 . 7 1 1 A 9 9 ALA HA H 9 4.313 4.686 -0.373 1
1 18 . 7 1 1 A 9 9 ALA CB C 9 19.254 22.843 -3.589 1
1 22 . 7 1 1 A 9 9 ALA C C 9 177.795 176.141 1.654 1
1 23 . 7 1 1 A 10 10 LYS N N 10 120.933 123.835 -2.902 1
1 24 . 7 1 1 A 10 10 LYS H H 10 8.368 8.720 -0.352 1
1 25 . 7 1 1 A 10 10 LYS CA C 10 56.323 55.410 0.913 1
1 26 . 7 1 1 A 10 10 LYS HA H 10 4.427 4.487 -0.060 1
1 27 . 7 1 1 A 10 10 LYS CB C 10 33.105 31.701 1.404 1
1 35 . 7 1 1 A 10 10 LYS C C 10 176.978 176.551 0.427 1
1 40 . 7 1 1 A 11 11 THR N N 11 114.437 115.085 -0.648 1
1 41 . 7 1 1 A 11 11 THR H H 11 8.308 8.085 0.223 1
1 42 . 7 1 1 A 11 11 THR CA C 11 61.617 61.962 -0.345 1
1 43 . 7 1 1 A 11 11 THR HA H 11 4.472 4.570 -0.098 1
1 44 . 7 1 1 A 11 11 THR CB C 11 69.821 71.302 -1.481 1
1 50 . 7 1 1 A 11 11 THR C C 11 174.562 174.596 -0.034 1
1 51 . 7 1 1 A 12 12 THR N N 12 114.598 117.029 -2.431 1
1 52 . 7 1 1 A 12 12 THR H H 12 7.915 7.660 0.255 1
1 53 . 7 1 1 A 12 12 THR CA C 12 61.451 62.532 -1.081 1
1 54 . 7 1 1 A 12 12 THR HA H 12 4.492 4.370 0.122 1
1 55 . 7 1 1 A 12 12 THR CB C 12 70.427 69.725 0.702 1
1 61 . 7 1 1 A 12 12 THR C C 12 174.236 174.732 -0.496 1
1 62 . 7 1 1 A 13 13 SER N N 13 117.902 121.912 -4.010 1
1 63 . 7 1 1 A 13 13 SER H H 13 8.580 8.755 -0.175 1
1 64 . 7 1 1 A 13 13 SER CA C 13 58.138 58.030 0.108 1
1 65 . 7 1 1 A 13 13 SER HA H 13 4.684 4.619 0.065 1
1 66 . 7 1 1 A 13 13 SER CB C 13 65.065 61.447 3.618 1
1 68 . 7 1 1 A 13 13 SER C C 13 172.108 173.566 -1.458 1
1 70 . 7 1 1 A 14 14 GLU N N 14 124.193 124.528 -0.335 1
1 71 . 7 1 1 A 14 14 GLU H H 14 8.386 8.937 -0.551 1
1 72 . 7 1 1 A 14 14 GLU CA C 14 54.181 55.904 -1.723 1
1 73 . 7 1 1 A 14 14 GLU HA H 14 5.048 5.153 -0.105 1
1 74 . 7 1 1 A 14 14 GLU CB C 14 33.085 31.384 1.701 1
1 78 . 7 1 1 A 14 14 GLU C C 14 175.059 176.258 -1.199 1
1 81 . 7 1 1 A 15 15 CYS N N 15 126.927 124.583 2.344 1
1 82 . 7 1 1 A 15 15 CYS H H 15 9.263 9.222 0.041 1
1 83 . 7 1 1 A 15 15 CYS CA C 15 59.573 58.657 0.916 1
1 84 . 7 1 1 A 15 15 CYS HA H 15 4.562 4.573 -0.011 1
1 85 . 7 1 1 A 15 15 CYS CB C 15 29.667 27.994 1.673 1
1 87 . 7 1 1 A 15 15 CYS C C 15 177.427 176.066 1.361 1
1 89 . 7 1 1 A 16 16 GLN N N 16 131.467 126.705 4.762 1
1 90 . 7 1 1 A 16 16 GLN H H 16 9.521 8.746 0.775 1
1 91 . 7 1 1 A 16 16 GLN CA C 16 57.973 58.006 -0.033 1
1 92 . 7 1 1 A 16 16 GLN HA H 16 4.175 4.096 0.079 1
1 93 . 7 1 1 A 16 16 GLN CB C 16 28.562 28.045 0.517 1
1 100 . 7 1 1 A 16 16 GLN C C 16 176.140 177.856 -1.716 1
1 103 . 7 1 1 A 17 17 GLU N N 17 120.316 118.538 1.778 1
1 104 . 7 1 1 A 17 17 GLU H H 17 8.682 7.968 0.714 1
1 105 . 7 1 1 A 17 17 GLU CA C 17 58.362 59.157 -0.795 1
1 106 . 7 1 1 A 17 17 GLU HA H 17 4.233 4.037 0.196 1
1 107 . 7 1 1 A 17 17 GLU CB C 17 29.552 29.658 -0.106 1
1 111 . 7 1 1 A 17 17 GLU C C 17 177.303 178.084 -0.781 1
1 114 . 7 1 1 A 18 18 CYS N N 18 114.810 115.029 -0.219 1
1 115 . 7 1 1 A 18 18 CYS H H 18 8.042 7.998 0.044 1
1 116 . 7 1 1 A 18 18 CYS CA C 18 58.513 59.440 -0.927 1
1 117 . 7 1 1 A 18 18 CYS HA H 18 5.154 4.731 0.423 1
1 118 . 7 1 1 A 18 18 CYS CB C 18 32.408 30.236 2.172 1
1 120 . 7 1 1 A 18 18 CYS C C 18 176.323 175.645 0.678 1
1 122 . 7 1 1 A 19 19 GLY N N 19 113.476 110.117 3.359 1
1 123 . 7 1 1 A 19 19 GLY H H 19 8.183 8.490 -0.307 1
1 124 . 7 1 1 A 19 19 GLY CA C 19 46.149 45.485 0.664 1
1 125 . 7 1 1 A 19 19 GLY HA3 H 19 4.200 4.048 0.152 1
1 126 . 7 1 1 A 19 19 GLY C C 19 173.814 174.338 -0.524 1
1 127 . 7 1 1 A 19 19 GLY HA2 H 19 3.921 4.040 -0.119 1
1 128 . 7 1 1 A 20 20 LYS N N 20 122.183 120.322 1.861 1
1 129 . 7 1 1 A 20 20 LYS H H 20 7.830 7.715 0.115 1
1 130 . 7 1 1 A 20 20 LYS CA C 20 58.063 54.633 3.430 1
1 131 . 7 1 1 A 20 20 LYS HA H 20 3.979 4.518 -0.539 1
1 132 . 7 1 1 A 20 20 LYS CB C 20 34.034 34.261 -0.227 1
1 140 . 7 1 1 A 20 20 LYS C C 20 174.133 175.202 -1.069 1
1 145 . 7 1 1 A 21 21 ILE N N 21 120.927 128.361 -7.434 1
1 146 . 7 1 1 A 21 21 ILE H H 21 7.770 8.453 -0.683 1
1 147 . 7 1 1 A 21 21 ILE CA C 21 60.180 60.891 -0.711 1
1 148 . 7 1 1 A 21 21 ILE HA H 21 4.452 4.223 0.229 1
1 149 . 7 1 1 A 21 21 ILE CB C 21 39.694 37.875 1.819 1
1 161 . 7 1 1 A 21 21 ILE C C 21 175.461 175.063 0.398 1
1 163 . 7 1 1 A 22 22 PHE N N 22 123.258 124.917 -1.659 1
1 164 . 7 1 1 A 22 22 PHE H H 22 8.648 8.470 0.178 1
1 165 . 7 1 1 A 22 22 PHE CA C 22 56.828 56.283 0.545 1
1 166 . 7 1 1 A 22 22 PHE HA H 22 4.710 4.843 -0.133 1
1 167 . 7 1 1 A 22 22 PHE CB C 22 43.452 41.868 1.584 1
1 179 . 7 1 1 A 22 22 PHE C C 22 176.151 175.738 0.413 1
1 181 . 7 1 1 A 23 23 ARG N N 23 119.153 126.173 -7.020 1
1 182 . 7 1 1 A 23 23 ARG H H 23 9.094 8.939 0.155 1
1 183 . 7 1 1 A 23 23 ARG CA C 23 57.288 59.767 -2.479 1
1 184 . 7 1 1 A 23 23 ARG HA H 23 4.241 3.972 0.269 1
1 185 . 7 1 1 A 23 23 ARG CB C 23 30.571 30.530 0.041 1
1 191 . 7 1 1 A 23 23 ARG C C 23 174.928 176.019 -1.091 1
1 195 . 7 1 1 A 24 24 HIS N N 24 113.877 113.460 0.417 1
1 196 . 7 1 1 A 24 24 HIS H H 24 7.141 7.511 -0.370 1
1 197 . 7 1 1 A 24 24 HIS CA C 24 56.129 53.680 2.449 1
1 198 . 7 1 1 A 24 24 HIS HA H 24 4.863 4.901 -0.038 1
1 199 . 7 1 1 A 24 24 HIS CB C 24 34.501 32.510 1.991 1
1 205 . 7 1 1 A 24 24 HIS C C 24 176.303 175.914 0.389 1
1 207 . 7 1 1 A 25 25 SER CA C 25 61.779 61.549 0.230 1
1 208 . 7 1 1 A 25 25 SER HA H 25 4.060 4.045 0.015 1
1 209 . 7 1 1 A 25 25 SER CB C 25 62.462 62.608 -0.146 1
1 212 . 7 1 1 A 26 26 SER N N 26 119.893 116.935 2.958 1
1 213 . 7 1 1 A 26 26 SER H H 26 9.650 8.212 1.438 1
1 214 . 7 1 1 A 26 26 SER CA C 26 61.866 62.562 -0.696 1
1 215 . 7 1 1 A 26 26 SER HA H 26 3.950 4.140 -0.190 1
1 216 . 7 1 1 A 26 26 SER CB C 26 61.788 62.797 -1.009 1
1 218 . 7 1 1 A 26 26 SER C C 26 176.964 176.568 0.396 1
1 220 . 7 1 1 A 27 27 LEU N N 27 121.674 120.546 1.128 1
1 221 . 7 1 1 A 27 27 LEU H H 27 7.141 7.605 -0.464 1
1 222 . 7 1 1 A 27 27 LEU CA C 27 56.669 58.037 -1.368 1
1 223 . 7 1 1 A 27 27 LEU HA H 27 4.170 3.828 0.342 1
1 224 . 7 1 1 A 27 27 LEU CB C 27 41.962 41.419 0.543 1
1 236 . 7 1 1 A 27 27 LEU C C 27 179.312 179.094 0.218 1
1 238 . 7 1 1 A 28 28 LEU N N 28 121.976 119.383 2.593 1
1 239 . 7 1 1 A 28 28 LEU H H 28 7.075 7.851 -0.776 1
1 240 . 7 1 1 A 28 28 LEU CA C 28 57.616 57.330 0.286 1
1 241 . 7 1 1 A 28 28 LEU HA H 28 3.216 2.619 0.597 1
1 242 . 7 1 1 A 28 28 LEU CB C 28 40.475 41.383 -0.908 1
1 254 . 7 1 1 A 28 28 LEU C C 28 177.651 178.233 -0.582 1
1 256 . 7 1 1 A 29 29 ILE N N 29 119.789 119.258 0.531 1
1 257 . 7 1 1 A 29 29 ILE H H 29 7.956 8.331 -0.375 1
1 258 . 7 1 1 A 29 29 ILE CA C 29 64.818 65.293 -0.475 1
1 259 . 7 1 1 A 29 29 ILE HA H 29 3.770 3.471 0.299 1
1 260 . 7 1 1 A 29 29 ILE CB C 29 37.729 37.763 -0.034 1
1 272 . 7 1 1 A 29 29 ILE C C 29 179.269 178.040 1.229 1
1 274 . 7 1 1 A 30 30 GLU N N 30 119.089 119.516 -0.427 1
1 275 . 7 1 1 A 30 30 GLU H H 30 7.425 7.929 -0.504 1
1 276 . 7 1 1 A 30 30 GLU CA C 30 59.239 59.410 -0.171 1
1 277 . 7 1 1 A 30 30 GLU HA H 30 4.030 3.961 0.069 1
1 278 . 7 1 1 A 30 30 GLU CB C 30 29.976 29.262 0.714 1
1 282 . 7 1 1 A 30 30 GLU C C 30 178.534 178.566 -0.032 1
1 285 . 7 1 1 A 31 31 HIS N N 31 118.679 120.445 -1.766 1
1 286 . 7 1 1 A 31 31 HIS H H 31 7.493 7.728 -0.235 1
1 287 . 7 1 1 A 31 31 HIS CA C 31 58.956 59.570 -0.614 1
1 288 . 7 1 1 A 31 31 HIS HA H 31 4.224 4.138 0.086 1
1 289 . 7 1 1 A 31 31 HIS CB C 31 28.605 29.439 -0.834 1
1 295 . 7 1 1 A 31 31 HIS C C 31 176.314 176.812 -0.498 1
1 297 . 7 1 1 A 32 32 GLN N N 32 116.911 117.283 -0.372 1
1 298 . 7 1 1 A 32 32 GLN H H 32 8.454 8.482 -0.028 1
1 299 . 7 1 1 A 32 32 GLN CA C 32 59.194 59.025 0.169 1
1 300 . 7 1 1 A 32 32 GLN HA H 32 3.772 3.878 -0.106 1
1 301 . 7 1 1 A 32 32 GLN CB C 32 28.057 28.044 0.013 1
1 308 . 7 1 1 A 32 32 GLN C C 32 178.135 178.363 -0.228 1
1 311 . 7 1 1 A 33 33 ALA N N 33 121.580 120.951 0.629 1
1 312 . 7 1 1 A 33 33 ALA H H 33 7.279 7.509 -0.230 1
1 313 . 7 1 1 A 33 33 ALA CA C 33 54.593 54.852 -0.259 1
1 314 . 7 1 1 A 33 33 ALA HA H 33 4.163 4.055 0.108 1
1 315 . 7 1 1 A 33 33 ALA CB C 33 18.182 18.427 -0.245 1
1 319 . 7 1 1 A 33 33 ALA C C 33 179.581 179.879 -0.298 1
1 320 . 7 1 1 A 34 34 LEU N N 34 117.524 117.312 0.212 1
1 321 . 7 1 1 A 34 34 LEU H H 34 7.733 7.868 -0.135 1
1 322 . 7 1 1 A 34 34 LEU CA C 34 56.653 57.917 -1.264 1
1 323 . 7 1 1 A 34 34 LEU HA H 34 4.058 3.820 0.238 1
1 324 . 7 1 1 A 34 34 LEU CB C 34 41.217 41.060 0.157 1
1 336 . 7 1 1 A 34 34 LEU C C 34 179.011 178.893 0.118 1
1 338 . 7 1 1 A 35 35 HIS N N 35 115.390 118.295 -2.905 1
1 339 . 7 1 1 A 35 35 HIS H H 35 7.175 8.034 -0.859 1
1 340 . 7 1 1 A 35 35 HIS CA C 35 55.525 59.148 -3.623 1
1 341 . 7 1 1 A 35 35 HIS HA H 35 4.738 4.384 0.354 1
1 342 . 7 1 1 A 35 35 HIS CB C 35 28.715 29.289 -0.574 1
1 348 . 7 1 1 A 35 35 HIS C C 35 175.385 175.949 -0.564 1
1 350 . 7 1 1 A 36 36 ALA N N 36 122.651 120.977 1.674 1
1 351 . 7 1 1 A 36 36 ALA H H 36 7.634 7.672 -0.038 1
1 352 . 7 1 1 A 36 36 ALA CA C 36 53.281 52.316 0.965 1
1 353 . 7 1 1 A 36 36 ALA HA H 36 4.328 4.285 0.043 1
1 354 . 7 1 1 A 36 36 ALA CB C 36 19.154 19.080 0.074 1
1 358 . 7 1 1 A 36 36 ALA C C 36 178.273 177.440 0.833 1
1 359 . 7 1 1 A 37 37 GLY N N 37 107.266 107.223 0.043 1
1 360 . 7 1 1 A 37 37 GLY H H 37 8.163 7.762 0.401 1
1 361 . 7 1 1 A 37 37 GLY CA C 37 45.358 46.567 -1.209 1
1 362 . 7 1 1 A 37 37 GLY HA3 H 37 3.964 3.916 0.048 1
1 363 . 7 1 1 A 37 37 GLY C C 37 174.369 175.550 -1.181 1
1 364 . 7 1 1 A 37 37 GLY HA2 H 37 4.027 3.907 0.120 1
1 365 . 7 1 1 A 38 38 GLU N N 38 120.486 122.107 -1.621 1
1 366 . 7 1 1 A 38 38 GLU H H 38 8.160 8.194 -0.034 1
1 367 . 7 1 1 A 38 38 GLU CA C 38 56.658 59.246 -2.588 1
1 368 . 7 1 1 A 38 38 GLU HA H 38 4.357 4.324 0.033 1
1 369 . 7 1 1 A 38 38 GLU CB C 38 30.381 30.635 -0.254 1
1 373 . 7 1 1 A 38 38 GLU C C 38 176.730 178.013 -1.283 1
1 376 . 7 1 1 A 39 39 SER N N 39 116.555 111.878 4.677 1
1 377 . 7 1 1 A 39 39 SER H H 39 8.391 7.872 0.519 1
1 378 . 7 1 1 A 39 39 SER CA C 39 58.397 57.556 0.841 1
1 379 . 7 1 1 A 39 39 SER HA H 39 4.515 4.519 -0.004 1
1 380 . 7 1 1 A 39 39 SER CB C 39 63.960 62.596 1.364 1
1 382 . 7 1 1 A 39 39 SER C C 39 174.602 174.298 0.304 1
1 384 . 7 1 1 A 40 40 GLY N N 40 110.681 110.803 -0.122 1
1 385 . 7 1 1 A 40 40 GLY H H 40 8.239 8.171 0.068 1
1 386 . 7 1 1 A 40 40 GLY CA C 40 44.666 44.001 0.665 1
1 387 . 7 1 1 A 40 40 GLY HA3 H 40 4.087 4.120 -0.033 1
1 388 . 7 1 1 A 40 40 GLY C C 40 171.769 172.633 -0.864 1
1 389 . 7 1 1 A 40 40 GLY HA2 H 40 4.185 4.118 0.067 1
1 390 . 7 1 1 A 41 41 PRO CA C 41 63.229 62.536 0.693 1
1 391 . 7 1 1 A 41 41 PRO HA H 41 4.489 4.588 -0.099 1
1 392 . 7 1 1 A 41 41 PRO CB C 41 32.192 33.422 -1.230 1
1 398 . 7 1 1 A 41 41 PRO C C 41 177.375 176.404 0.971 1
1 402 . 7 1 1 A 42 42 SER N N 42 116.504 115.774 0.730 1
1 403 . 7 1 1 A 42 42 SER H H 42 8.544 8.898 -0.354 1
1 404 . 7 1 1 A 42 42 SER CA C 42 58.364 59.726 -1.362 1
1 405 . 7 1 1 A 42 42 SER HA H 42 4.470 4.607 -0.137 1
1 406 . 7 1 1 A 42 42 SER CB C 42 64.062 65.122 -1.060 1
1 408 . 7 1 1 A 42 42 SER C C 42 174.704 174.984 -0.280 1
1 410 . 7 1 1 A 43 43 SER N N 43 117.992 112.677 5.315 1
1 411 . 7 1 1 A 43 43 SER H H 43 8.358 7.818 0.540 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.366 45.763 -0.397 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.975 3.991 -0.016 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.840 174.816 -0.976 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 3.975 3.986 -0.011 1
1 5 . 8 1 1 A 8 8 ALA N N 8 123.813 125.349 -1.536 1
1 6 . 8 1 1 A 8 8 ALA H H 8 8.108 8.613 -0.505 1
1 7 . 8 1 1 A 8 8 ALA CA C 8 52.400 54.393 -1.993 1
1 8 . 8 1 1 A 8 8 ALA HA H 8 4.317 4.278 0.039 1
1 9 . 8 1 1 A 8 8 ALA CB C 8 19.299 19.346 -0.047 1
1 13 . 8 1 1 A 8 8 ALA C C 8 177.523 177.065 0.458 1
1 14 . 8 1 1 A 9 9 ALA N N 9 123.426 119.607 3.819 1
1 15 . 8 1 1 A 9 9 ALA H H 9 8.272 7.801 0.471 1
1 16 . 8 1 1 A 9 9 ALA CA C 9 52.433 50.929 1.504 1
1 17 . 8 1 1 A 9 9 ALA HA H 9 4.313 4.599 -0.286 1
1 18 . 8 1 1 A 9 9 ALA CB C 9 19.254 20.811 -1.557 1
1 22 . 8 1 1 A 9 9 ALA C C 9 177.795 177.047 0.748 1
1 23 . 8 1 1 A 10 10 LYS N N 10 120.933 121.879 -0.946 1
1 24 . 8 1 1 A 10 10 LYS H H 10 8.368 9.004 -0.636 1
1 25 . 8 1 1 A 10 10 LYS CA C 10 56.323 58.937 -2.614 1
1 26 . 8 1 1 A 10 10 LYS HA H 10 4.427 4.040 0.387 1
1 27 . 8 1 1 A 10 10 LYS CB C 10 33.105 32.806 0.299 1
1 35 . 8 1 1 A 10 10 LYS C C 10 176.978 178.133 -1.155 1
1 40 . 8 1 1 A 11 11 THR N N 11 114.437 114.632 -0.195 1
1 41 . 8 1 1 A 11 11 THR H H 11 8.308 8.279 0.029 1
1 42 . 8 1 1 A 11 11 THR CA C 11 61.617 64.823 -3.206 1
1 43 . 8 1 1 A 11 11 THR HA H 11 4.472 4.039 0.433 1
1 44 . 8 1 1 A 11 11 THR CB C 11 69.821 68.875 0.946 1
1 50 . 8 1 1 A 11 11 THR C C 11 174.562 175.340 -0.778 1
1 51 . 8 1 1 A 12 12 THR N N 12 114.598 116.673 -2.075 1
1 52 . 8 1 1 A 12 12 THR H H 12 7.915 7.656 0.259 1
1 53 . 8 1 1 A 12 12 THR CA C 12 61.451 63.760 -2.309 1
1 54 . 8 1 1 A 12 12 THR HA H 12 4.492 4.274 0.218 1
1 55 . 8 1 1 A 12 12 THR CB C 12 70.427 69.607 0.820 1
1 61 . 8 1 1 A 12 12 THR C C 12 174.236 174.556 -0.320 1
1 62 . 8 1 1 A 13 13 SER N N 13 117.902 121.468 -3.566 1
1 63 . 8 1 1 A 13 13 SER H H 13 8.580 8.578 0.002 1
1 64 . 8 1 1 A 13 13 SER CA C 13 58.138 58.901 -0.763 1
1 65 . 8 1 1 A 13 13 SER HA H 13 4.684 4.565 0.119 1
1 66 . 8 1 1 A 13 13 SER CB C 13 65.065 61.318 3.747 1
1 68 . 8 1 1 A 13 13 SER C C 13 172.108 173.801 -1.693 1
1 70 . 8 1 1 A 14 14 GLU N N 14 124.193 125.893 -1.700 1
1 71 . 8 1 1 A 14 14 GLU H H 14 8.386 8.610 -0.224 1
1 72 . 8 1 1 A 14 14 GLU CA C 14 54.181 55.031 -0.850 1
1 73 . 8 1 1 A 14 14 GLU HA H 14 5.048 5.294 -0.246 1
1 74 . 8 1 1 A 14 14 GLU CB C 14 33.085 32.523 0.562 1
1 78 . 8 1 1 A 14 14 GLU C C 14 175.059 175.821 -0.762 1
1 81 . 8 1 1 A 15 15 CYS N N 15 126.927 125.119 1.808 1
1 82 . 8 1 1 A 15 15 CYS H H 15 9.263 9.043 0.220 1
1 83 . 8 1 1 A 15 15 CYS CA C 15 59.573 58.656 0.917 1
1 84 . 8 1 1 A 15 15 CYS HA H 15 4.562 4.528 0.034 1
1 85 . 8 1 1 A 15 15 CYS CB C 15 29.667 27.991 1.676 1
1 87 . 8 1 1 A 15 15 CYS C C 15 177.427 176.025 1.402 1
1 89 . 8 1 1 A 16 16 GLN N N 16 131.467 126.587 4.880 1
1 90 . 8 1 1 A 16 16 GLN H H 16 9.521 8.731 0.790 1
1 91 . 8 1 1 A 16 16 GLN CA C 16 57.973 57.998 -0.025 1
1 92 . 8 1 1 A 16 16 GLN HA H 16 4.175 4.084 0.091 1
1 93 . 8 1 1 A 16 16 GLN CB C 16 28.562 28.043 0.519 1
1 100 . 8 1 1 A 16 16 GLN C C 16 176.140 177.847 -1.707 1
1 103 . 8 1 1 A 17 17 GLU N N 17 120.316 118.598 1.718 1
1 104 . 8 1 1 A 17 17 GLU H H 17 8.682 8.009 0.673 1
1 105 . 8 1 1 A 17 17 GLU CA C 17 58.362 59.202 -0.840 1
1 106 . 8 1 1 A 17 17 GLU HA H 17 4.233 4.029 0.204 1
1 107 . 8 1 1 A 17 17 GLU CB C 17 29.552 29.612 -0.060 1
1 111 . 8 1 1 A 17 17 GLU C C 17 177.303 178.064 -0.761 1
1 114 . 8 1 1 A 18 18 CYS N N 18 114.810 115.002 -0.192 1
1 115 . 8 1 1 A 18 18 CYS H H 18 8.042 7.982 0.060 1
1 116 . 8 1 1 A 18 18 CYS CA C 18 58.513 59.345 -0.832 1
1 117 . 8 1 1 A 18 18 CYS HA H 18 5.154 4.730 0.424 1
1 118 . 8 1 1 A 18 18 CYS CB C 18 32.408 30.397 2.011 1
1 120 . 8 1 1 A 18 18 CYS C C 18 176.323 175.682 0.641 1
1 122 . 8 1 1 A 19 19 GLY N N 19 113.476 110.118 3.358 1
1 123 . 8 1 1 A 19 19 GLY H H 19 8.183 8.516 -0.333 1
1 124 . 8 1 1 A 19 19 GLY CA C 19 46.149 45.472 0.677 1
1 125 . 8 1 1 A 19 19 GLY HA3 H 19 4.200 4.037 0.163 1
1 126 . 8 1 1 A 19 19 GLY C C 19 173.814 174.325 -0.511 1
1 127 . 8 1 1 A 19 19 GLY HA2 H 19 3.921 4.034 -0.113 1
1 128 . 8 1 1 A 20 20 LYS N N 20 122.183 120.409 1.774 1
1 129 . 8 1 1 A 20 20 LYS H H 20 7.830 7.683 0.147 1
1 130 . 8 1 1 A 20 20 LYS CA C 20 58.063 54.605 3.458 1
1 131 . 8 1 1 A 20 20 LYS HA H 20 3.979 4.478 -0.499 1
1 132 . 8 1 1 A 20 20 LYS CB C 20 34.034 33.872 0.162 1
1 140 . 8 1 1 A 20 20 LYS C C 20 174.133 175.187 -1.054 1
1 145 . 8 1 1 A 21 21 ILE N N 21 120.927 128.001 -7.074 1
1 146 . 8 1 1 A 21 21 ILE H H 21 7.770 8.437 -0.667 1
1 147 . 8 1 1 A 21 21 ILE CA C 21 60.180 60.932 -0.752 1
1 148 . 8 1 1 A 21 21 ILE HA H 21 4.452 4.194 0.258 1
1 149 . 8 1 1 A 21 21 ILE CB C 21 39.694 37.968 1.726 1
1 161 . 8 1 1 A 21 21 ILE C C 21 175.461 175.084 0.377 1
1 163 . 8 1 1 A 22 22 PHE N N 22 123.258 124.785 -1.527 1
1 164 . 8 1 1 A 22 22 PHE H H 22 8.648 8.688 -0.040 1
1 165 . 8 1 1 A 22 22 PHE CA C 22 56.828 56.301 0.527 1
1 166 . 8 1 1 A 22 22 PHE HA H 22 4.710 4.919 -0.209 1
1 167 . 8 1 1 A 22 22 PHE CB C 22 43.452 42.174 1.278 1
1 179 . 8 1 1 A 22 22 PHE C C 22 176.151 175.723 0.428 1
1 181 . 8 1 1 A 23 23 ARG N N 23 119.153 125.396 -6.243 1
1 182 . 8 1 1 A 23 23 ARG H H 23 9.094 8.912 0.182 1
1 183 . 8 1 1 A 23 23 ARG CA C 23 57.288 59.583 -2.295 1
1 184 . 8 1 1 A 23 23 ARG HA H 23 4.241 3.983 0.258 1
1 185 . 8 1 1 A 23 23 ARG CB C 23 30.571 30.671 -0.100 1
1 191 . 8 1 1 A 23 23 ARG C C 23 174.928 175.977 -1.049 1
1 195 . 8 1 1 A 24 24 HIS N N 24 113.877 113.326 0.551 1
1 196 . 8 1 1 A 24 24 HIS H H 24 7.141 7.409 -0.268 1
1 197 . 8 1 1 A 24 24 HIS CA C 24 56.129 53.645 2.484 1
1 198 . 8 1 1 A 24 24 HIS HA H 24 4.863 4.903 -0.040 1
1 199 . 8 1 1 A 24 24 HIS CB C 24 34.501 32.465 2.036 1
1 205 . 8 1 1 A 24 24 HIS C C 24 176.303 176.184 0.119 1
1 207 . 8 1 1 A 25 25 SER CA C 25 61.779 62.442 -0.663 1
1 208 . 8 1 1 A 25 25 SER HA H 25 4.060 3.974 0.086 1
1 209 . 8 1 1 A 25 25 SER CB C 25 62.462 63.009 -0.547 1
1 212 . 8 1 1 A 26 26 SER N N 26 119.893 116.641 3.252 1
1 213 . 8 1 1 A 26 26 SER H H 26 9.650 8.355 1.295 1
1 214 . 8 1 1 A 26 26 SER CA C 26 61.866 62.569 -0.703 1
1 215 . 8 1 1 A 26 26 SER HA H 26 3.950 4.145 -0.195 1
1 216 . 8 1 1 A 26 26 SER CB C 26 61.788 62.780 -0.992 1
1 218 . 8 1 1 A 26 26 SER C C 26 176.964 176.686 0.278 1
1 220 . 8 1 1 A 27 27 LEU N N 27 121.674 120.509 1.165 1
1 221 . 8 1 1 A 27 27 LEU H H 27 7.141 7.672 -0.531 1
1 222 . 8 1 1 A 27 27 LEU CA C 27 56.669 58.005 -1.336 1
1 223 . 8 1 1 A 27 27 LEU HA H 27 4.170 3.843 0.327 1
1 224 . 8 1 1 A 27 27 LEU CB C 27 41.962 41.281 0.681 1
1 236 . 8 1 1 A 27 27 LEU C C 27 179.312 179.061 0.251 1
1 238 . 8 1 1 A 28 28 LEU N N 28 121.976 119.615 2.361 1
1 239 . 8 1 1 A 28 28 LEU H H 28 7.075 7.967 -0.892 1
1 240 . 8 1 1 A 28 28 LEU CA C 28 57.616 57.254 0.362 1
1 241 . 8 1 1 A 28 28 LEU HA H 28 3.216 2.677 0.539 1
1 242 . 8 1 1 A 28 28 LEU CB C 28 40.475 41.505 -1.030 1
1 254 . 8 1 1 A 28 28 LEU C C 28 177.651 178.412 -0.761 1
1 256 . 8 1 1 A 29 29 ILE N N 29 119.789 119.243 0.546 1
1 257 . 8 1 1 A 29 29 ILE H H 29 7.956 8.306 -0.350 1
1 258 . 8 1 1 A 29 29 ILE CA C 29 64.818 65.272 -0.454 1
1 259 . 8 1 1 A 29 29 ILE HA H 29 3.770 3.477 0.293 1
1 260 . 8 1 1 A 29 29 ILE CB C 29 37.729 37.777 -0.048 1
1 272 . 8 1 1 A 29 29 ILE C C 29 179.269 177.999 1.270 1
1 274 . 8 1 1 A 30 30 GLU N N 30 119.089 119.696 -0.607 1
1 275 . 8 1 1 A 30 30 GLU H H 30 7.425 7.947 -0.522 1
1 276 . 8 1 1 A 30 30 GLU CA C 30 59.239 59.462 -0.223 1
1 277 . 8 1 1 A 30 30 GLU HA H 30 4.030 3.963 0.067 1
1 278 . 8 1 1 A 30 30 GLU CB C 30 29.976 29.316 0.660 1
1 282 . 8 1 1 A 30 30 GLU C C 30 178.534 178.536 -0.002 1
1 285 . 8 1 1 A 31 31 HIS N N 31 118.679 120.692 -2.013 1
1 286 . 8 1 1 A 31 31 HIS H H 31 7.493 7.650 -0.157 1
1 287 . 8 1 1 A 31 31 HIS CA C 31 58.956 59.431 -0.475 1
1 288 . 8 1 1 A 31 31 HIS HA H 31 4.224 4.156 0.068 1
1 289 . 8 1 1 A 31 31 HIS CB C 31 28.605 29.583 -0.978 1
1 295 . 8 1 1 A 31 31 HIS C C 31 176.314 177.097 -0.783 1
1 297 . 8 1 1 A 32 32 GLN N N 32 116.911 117.402 -0.491 1
1 298 . 8 1 1 A 32 32 GLN H H 32 8.454 8.584 -0.130 1
1 299 . 8 1 1 A 32 32 GLN CA C 32 59.194 59.120 0.074 1
1 300 . 8 1 1 A 32 32 GLN HA H 32 3.772 3.929 -0.157 1
1 301 . 8 1 1 A 32 32 GLN CB C 32 28.057 28.168 -0.111 1
1 308 . 8 1 1 A 32 32 GLN C C 32 178.135 178.180 -0.045 1
1 311 . 8 1 1 A 33 33 ALA N N 33 121.580 121.491 0.089 1
1 312 . 8 1 1 A 33 33 ALA H H 33 7.279 7.528 -0.249 1
1 313 . 8 1 1 A 33 33 ALA CA C 33 54.593 54.819 -0.226 1
1 314 . 8 1 1 A 33 33 ALA HA H 33 4.163 4.062 0.101 1
1 315 . 8 1 1 A 33 33 ALA CB C 33 18.182 18.402 -0.220 1
1 319 . 8 1 1 A 33 33 ALA C C 33 179.581 179.647 -0.066 1
1 320 . 8 1 1 A 34 34 LEU N N 34 117.524 117.321 0.203 1
1 321 . 8 1 1 A 34 34 LEU H H 34 7.733 7.820 -0.087 1
1 322 . 8 1 1 A 34 34 LEU CA C 34 56.653 57.919 -1.266 1
1 323 . 8 1 1 A 34 34 LEU HA H 34 4.058 3.824 0.234 1
1 324 . 8 1 1 A 34 34 LEU CB C 34 41.217 41.180 0.037 1
1 336 . 8 1 1 A 34 34 LEU C C 34 179.011 178.765 0.246 1
1 338 . 8 1 1 A 35 35 HIS N N 35 115.390 117.719 -2.329 1
1 339 . 8 1 1 A 35 35 HIS H H 35 7.175 7.956 -0.781 1
1 340 . 8 1 1 A 35 35 HIS CA C 35 55.525 59.060 -3.535 1
1 341 . 8 1 1 A 35 35 HIS HA H 35 4.738 4.382 0.356 1
1 342 . 8 1 1 A 35 35 HIS CB C 35 28.715 29.510 -0.795 1
1 348 . 8 1 1 A 35 35 HIS C C 35 175.385 176.313 -0.928 1
1 350 . 8 1 1 A 36 36 ALA N N 36 122.651 119.106 3.545 1
1 351 . 8 1 1 A 36 36 ALA H H 36 7.634 7.665 -0.031 1
1 352 . 8 1 1 A 36 36 ALA CA C 36 53.281 53.689 -0.408 1
1 353 . 8 1 1 A 36 36 ALA HA H 36 4.328 3.972 0.356 1
1 354 . 8 1 1 A 36 36 ALA CB C 36 19.154 18.377 0.777 1
1 358 . 8 1 1 A 36 36 ALA C C 36 178.273 178.388 -0.115 1
1 359 . 8 1 1 A 37 37 GLY N N 37 107.266 111.741 -4.475 1
1 360 . 8 1 1 A 37 37 GLY H H 37 8.163 8.845 -0.682 1
1 361 . 8 1 1 A 37 37 GLY CA C 37 45.358 46.132 -0.774 1
1 362 . 8 1 1 A 37 37 GLY HA3 H 37 3.964 4.077 -0.113 1
1 363 . 8 1 1 A 37 37 GLY C C 37 174.369 174.527 -0.158 1
1 364 . 8 1 1 A 37 37 GLY HA2 H 37 4.027 4.072 -0.045 1
1 365 . 8 1 1 A 38 38 GLU N N 38 120.486 119.395 1.091 1
1 366 . 8 1 1 A 38 38 GLU H H 38 8.160 8.292 -0.132 1
1 367 . 8 1 1 A 38 38 GLU CA C 38 56.658 56.369 0.289 1
1 368 . 8 1 1 A 38 38 GLU HA H 38 4.357 4.550 -0.193 1
1 369 . 8 1 1 A 38 38 GLU CB C 38 30.381 30.228 0.153 1
1 373 . 8 1 1 A 38 38 GLU C C 38 176.730 176.108 0.622 1
1 376 . 8 1 1 A 39 39 SER N N 39 116.555 117.973 -1.418 1
1 377 . 8 1 1 A 39 39 SER H H 39 8.391 8.664 -0.273 1
1 378 . 8 1 1 A 39 39 SER CA C 39 58.397 57.531 0.866 1
1 379 . 8 1 1 A 39 39 SER HA H 39 4.515 5.037 -0.522 1
1 380 . 8 1 1 A 39 39 SER CB C 39 63.960 67.077 -3.117 1
1 382 . 8 1 1 A 39 39 SER C C 39 174.602 173.481 1.121 1
1 384 . 8 1 1 A 40 40 GLY N N 40 110.681 109.824 0.857 1
1 385 . 8 1 1 A 40 40 GLY H H 40 8.239 8.343 -0.104 1
1 386 . 8 1 1 A 40 40 GLY CA C 40 44.666 45.511 -0.845 1
1 387 . 8 1 1 A 40 40 GLY HA3 H 40 4.087 4.214 -0.127 1
1 388 . 8 1 1 A 40 40 GLY C C 40 171.769 173.518 -1.749 1
1 389 . 8 1 1 A 40 40 GLY HA2 H 40 4.185 4.213 -0.028 1
1 390 . 8 1 1 A 41 41 PRO CA C 41 63.229 64.133 -0.904 1
1 391 . 8 1 1 A 41 41 PRO HA H 41 4.489 4.417 0.072 1
1 392 . 8 1 1 A 41 41 PRO CB C 41 32.192 32.007 0.185 1
1 398 . 8 1 1 A 41 41 PRO C C 41 177.375 177.969 -0.594 1
1 402 . 8 1 1 A 42 42 SER N N 42 116.504 114.786 1.718 1
1 403 . 8 1 1 A 42 42 SER H H 42 8.544 8.579 -0.035 1
1 404 . 8 1 1 A 42 42 SER CA C 42 58.364 61.680 -3.316 1
1 405 . 8 1 1 A 42 42 SER HA H 42 4.470 4.192 0.278 1
1 406 . 8 1 1 A 42 42 SER CB C 42 64.062 62.917 1.145 1
1 408 . 8 1 1 A 42 42 SER C C 42 174.704 174.620 0.084 1
1 410 . 8 1 1 A 43 43 SER N N 43 117.992 112.385 5.607 1
1 411 . 8 1 1 A 43 43 SER H H 43 8.358 7.965 0.393 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.366 45.791 -0.425 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.975 4.171 -0.196 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.840 172.642 1.198 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 3.975 4.162 -0.187 1
1 5 . 9 1 1 A 8 8 ALA N N 8 123.813 123.339 0.474 1
1 6 . 9 1 1 A 8 8 ALA H H 8 8.108 7.974 0.134 1
1 7 . 9 1 1 A 8 8 ALA CA C 8 52.400 50.418 1.982 1
1 8 . 9 1 1 A 8 8 ALA HA H 8 4.317 5.067 -0.750 1
1 9 . 9 1 1 A 8 8 ALA CB C 8 19.299 21.131 -1.832 1
1 13 . 9 1 1 A 8 8 ALA C C 8 177.523 176.057 1.466 1
1 14 . 9 1 1 A 9 9 ALA N N 9 123.426 123.536 -0.110 1
1 15 . 9 1 1 A 9 9 ALA H H 9 8.272 8.216 0.056 1
1 16 . 9 1 1 A 9 9 ALA CA C 9 52.433 51.212 1.221 1
1 17 . 9 1 1 A 9 9 ALA HA H 9 4.313 4.639 -0.326 1
1 18 . 9 1 1 A 9 9 ALA CB C 9 19.254 22.267 -3.013 1
1 22 . 9 1 1 A 9 9 ALA C C 9 177.795 177.426 0.369 1
1 23 . 9 1 1 A 10 10 LYS N N 10 120.933 119.509 1.424 1
1 24 . 9 1 1 A 10 10 LYS H H 10 8.368 8.678 -0.310 1
1 25 . 9 1 1 A 10 10 LYS CA C 10 56.323 58.992 -2.669 1
1 26 . 9 1 1 A 10 10 LYS HA H 10 4.427 4.007 0.420 1
1 27 . 9 1 1 A 10 10 LYS CB C 10 33.105 32.760 0.345 1
1 35 . 9 1 1 A 10 10 LYS C C 10 176.978 175.863 1.115 1
1 40 . 9 1 1 A 11 11 THR N N 11 114.437 112.068 2.369 1
1 41 . 9 1 1 A 11 11 THR H H 11 8.308 7.546 0.762 1
1 42 . 9 1 1 A 11 11 THR CA C 11 61.617 61.222 0.395 1
1 43 . 9 1 1 A 11 11 THR HA H 11 4.472 4.581 -0.109 1
1 44 . 9 1 1 A 11 11 THR CB C 11 69.821 71.166 -1.345 1
1 50 . 9 1 1 A 11 11 THR C C 11 174.562 172.220 2.342 1
1 51 . 9 1 1 A 12 12 THR N N 12 114.598 121.603 -7.005 1
1 52 . 9 1 1 A 12 12 THR H H 12 7.915 8.888 -0.973 1
1 53 . 9 1 1 A 12 12 THR CA C 12 61.451 61.044 0.407 1
1 54 . 9 1 1 A 12 12 THR HA H 12 4.492 4.883 -0.391 1
1 55 . 9 1 1 A 12 12 THR CB C 12 70.427 73.101 -2.674 1
1 61 . 9 1 1 A 12 12 THR C C 12 174.236 173.208 1.028 1
1 62 . 9 1 1 A 13 13 SER N N 13 117.902 121.003 -3.101 1
1 63 . 9 1 1 A 13 13 SER H H 13 8.580 8.642 -0.062 1
1 64 . 9 1 1 A 13 13 SER CA C 13 58.138 58.091 0.047 1
1 65 . 9 1 1 A 13 13 SER HA H 13 4.684 4.604 0.080 1
1 66 . 9 1 1 A 13 13 SER CB C 13 65.065 61.473 3.592 1
1 68 . 9 1 1 A 13 13 SER C C 13 172.108 173.453 -1.345 1
1 70 . 9 1 1 A 14 14 GLU N N 14 124.193 124.677 -0.484 1
1 71 . 9 1 1 A 14 14 GLU H H 14 8.386 8.791 -0.405 1
1 72 . 9 1 1 A 14 14 GLU CA C 14 54.181 56.038 -1.857 1
1 73 . 9 1 1 A 14 14 GLU HA H 14 5.048 4.949 0.099 1
1 74 . 9 1 1 A 14 14 GLU CB C 14 33.085 31.126 1.959 1
1 78 . 9 1 1 A 14 14 GLU C C 14 175.059 176.323 -1.264 1
1 81 . 9 1 1 A 15 15 CYS N N 15 126.927 124.911 2.016 1
1 82 . 9 1 1 A 15 15 CYS H H 15 9.263 9.080 0.183 1
1 83 . 9 1 1 A 15 15 CYS CA C 15 59.573 58.775 0.798 1
1 84 . 9 1 1 A 15 15 CYS HA H 15 4.562 4.530 0.032 1
1 85 . 9 1 1 A 15 15 CYS CB C 15 29.667 28.064 1.603 1
1 87 . 9 1 1 A 15 15 CYS C C 15 177.427 176.020 1.407 1
1 89 . 9 1 1 A 16 16 GLN N N 16 131.467 126.479 4.988 1
1 90 . 9 1 1 A 16 16 GLN H H 16 9.521 8.738 0.783 1
1 91 . 9 1 1 A 16 16 GLN CA C 16 57.973 57.986 -0.013 1
1 92 . 9 1 1 A 16 16 GLN HA H 16 4.175 4.144 0.031 1
1 93 . 9 1 1 A 16 16 GLN CB C 16 28.562 27.942 0.620 1
1 100 . 9 1 1 A 16 16 GLN C C 16 176.140 177.978 -1.838 1
1 103 . 9 1 1 A 17 17 GLU N N 17 120.316 118.465 1.851 1
1 104 . 9 1 1 A 17 17 GLU H H 17 8.682 8.002 0.680 1
1 105 . 9 1 1 A 17 17 GLU CA C 17 58.362 59.133 -0.771 1
1 106 . 9 1 1 A 17 17 GLU HA H 17 4.233 4.031 0.202 1
1 107 . 9 1 1 A 17 17 GLU CB C 17 29.552 29.774 -0.222 1
1 111 . 9 1 1 A 17 17 GLU C C 17 177.303 177.884 -0.581 1
1 114 . 9 1 1 A 18 18 CYS N N 18 114.810 115.090 -0.280 1
1 115 . 9 1 1 A 18 18 CYS H H 18 8.042 7.960 0.082 1
1 116 . 9 1 1 A 18 18 CYS CA C 18 58.513 59.622 -1.109 1
1 117 . 9 1 1 A 18 18 CYS HA H 18 5.154 4.702 0.452 1
1 118 . 9 1 1 A 18 18 CYS CB C 18 32.408 30.113 2.295 1
1 120 . 9 1 1 A 18 18 CYS C C 18 176.323 175.547 0.776 1
1 122 . 9 1 1 A 19 19 GLY N N 19 113.476 110.097 3.379 1
1 123 . 9 1 1 A 19 19 GLY H H 19 8.183 8.391 -0.208 1
1 124 . 9 1 1 A 19 19 GLY CA C 19 46.149 45.374 0.775 1
1 125 . 9 1 1 A 19 19 GLY HA3 H 19 4.200 4.046 0.154 1
1 126 . 9 1 1 A 19 19 GLY C C 19 173.814 174.245 -0.431 1
1 127 . 9 1 1 A 19 19 GLY HA2 H 19 3.921 4.040 -0.119 1
1 128 . 9 1 1 A 20 20 LYS N N 20 122.183 120.475 1.708 1
1 129 . 9 1 1 A 20 20 LYS H H 20 7.830 7.724 0.106 1
1 130 . 9 1 1 A 20 20 LYS CA C 20 58.063 54.678 3.385 1
1 131 . 9 1 1 A 20 20 LYS HA H 20 3.979 4.505 -0.526 1
1 132 . 9 1 1 A 20 20 LYS CB C 20 34.034 34.283 -0.249 1
1 140 . 9 1 1 A 20 20 LYS C C 20 174.133 175.413 -1.280 1
1 145 . 9 1 1 A 21 21 ILE N N 21 120.927 127.416 -6.489 1
1 146 . 9 1 1 A 21 21 ILE H H 21 7.770 8.471 -0.701 1
1 147 . 9 1 1 A 21 21 ILE CA C 21 60.180 61.134 -0.954 1
1 148 . 9 1 1 A 21 21 ILE HA H 21 4.452 4.182 0.270 1
1 149 . 9 1 1 A 21 21 ILE CB C 21 39.694 38.042 1.652 1
1 161 . 9 1 1 A 21 21 ILE C C 21 175.461 175.246 0.215 1
1 163 . 9 1 1 A 22 22 PHE N N 22 123.258 124.506 -1.248 1
1 164 . 9 1 1 A 22 22 PHE H H 22 8.648 8.710 -0.062 1
1 165 . 9 1 1 A 22 22 PHE CA C 22 56.828 56.382 0.446 1
1 166 . 9 1 1 A 22 22 PHE HA H 22 4.710 4.919 -0.209 1
1 167 . 9 1 1 A 22 22 PHE CB C 22 43.452 42.181 1.271 1
1 179 . 9 1 1 A 22 22 PHE C C 22 176.151 175.663 0.488 1
1 181 . 9 1 1 A 23 23 ARG N N 23 119.153 125.404 -6.251 1
1 182 . 9 1 1 A 23 23 ARG H H 23 9.094 8.918 0.176 1
1 183 . 9 1 1 A 23 23 ARG CA C 23 57.288 59.699 -2.411 1
1 184 . 9 1 1 A 23 23 ARG HA H 23 4.241 3.984 0.257 1
1 185 . 9 1 1 A 23 23 ARG CB C 23 30.571 30.462 0.109 1
1 191 . 9 1 1 A 23 23 ARG C C 23 174.928 175.862 -0.934 1
1 195 . 9 1 1 A 24 24 HIS N N 24 113.877 113.305 0.572 1
1 196 . 9 1 1 A 24 24 HIS H H 24 7.141 7.430 -0.289 1
1 197 . 9 1 1 A 24 24 HIS CA C 24 56.129 53.679 2.450 1
1 198 . 9 1 1 A 24 24 HIS HA H 24 4.863 4.900 -0.037 1
1 199 . 9 1 1 A 24 24 HIS CB C 24 34.501 32.416 2.085 1
1 205 . 9 1 1 A 24 24 HIS C C 24 176.303 176.088 0.215 1
1 207 . 9 1 1 A 25 25 SER CA C 25 61.779 62.508 -0.729 1
1 208 . 9 1 1 A 25 25 SER HA H 25 4.060 3.977 0.083 1
1 209 . 9 1 1 A 25 25 SER CB C 25 62.462 62.980 -0.518 1
1 212 . 9 1 1 A 26 26 SER N N 26 119.893 116.700 3.193 1
1 213 . 9 1 1 A 26 26 SER H H 26 9.650 8.258 1.392 1
1 214 . 9 1 1 A 26 26 SER CA C 26 61.866 62.562 -0.696 1
1 215 . 9 1 1 A 26 26 SER HA H 26 3.950 4.145 -0.195 1
1 216 . 9 1 1 A 26 26 SER CB C 26 61.788 62.776 -0.988 1
1 218 . 9 1 1 A 26 26 SER C C 26 176.964 176.578 0.386 1
1 220 . 9 1 1 A 27 27 LEU N N 27 121.674 120.671 1.003 1
1 221 . 9 1 1 A 27 27 LEU H H 27 7.141 7.674 -0.533 1
1 222 . 9 1 1 A 27 27 LEU CA C 27 56.669 57.982 -1.313 1
1 223 . 9 1 1 A 27 27 LEU HA H 27 4.170 3.850 0.320 1
1 224 . 9 1 1 A 27 27 LEU CB C 27 41.962 41.539 0.423 1
1 236 . 9 1 1 A 27 27 LEU C C 27 179.312 178.995 0.317 1
1 238 . 9 1 1 A 28 28 LEU N N 28 121.976 119.375 2.601 1
1 239 . 9 1 1 A 28 28 LEU H H 28 7.075 7.892 -0.817 1
1 240 . 9 1 1 A 28 28 LEU CA C 28 57.616 57.358 0.258 1
1 241 . 9 1 1 A 28 28 LEU HA H 28 3.216 2.795 0.421 1
1 242 . 9 1 1 A 28 28 LEU CB C 28 40.475 41.458 -0.983 1
1 254 . 9 1 1 A 28 28 LEU C C 28 177.651 178.549 -0.898 1
1 256 . 9 1 1 A 29 29 ILE N N 29 119.789 119.043 0.746 1
1 257 . 9 1 1 A 29 29 ILE H H 29 7.956 8.418 -0.462 1
1 258 . 9 1 1 A 29 29 ILE CA C 29 64.818 65.381 -0.563 1
1 259 . 9 1 1 A 29 29 ILE HA H 29 3.770 3.470 0.300 1
1 260 . 9 1 1 A 29 29 ILE CB C 29 37.729 37.621 0.108 1
1 272 . 9 1 1 A 29 29 ILE C C 29 179.269 178.141 1.128 1
1 274 . 9 1 1 A 30 30 GLU N N 30 119.089 119.946 -0.857 1
1 275 . 9 1 1 A 30 30 GLU H H 30 7.425 7.863 -0.438 1
1 276 . 9 1 1 A 30 30 GLU CA C 30 59.239 59.314 -0.075 1
1 277 . 9 1 1 A 30 30 GLU HA H 30 4.030 3.999 0.031 1
1 278 . 9 1 1 A 30 30 GLU CB C 30 29.976 29.240 0.736 1
1 282 . 9 1 1 A 30 30 GLU C C 30 178.534 178.760 -0.226 1
1 285 . 9 1 1 A 31 31 HIS N N 31 118.679 120.951 -2.272 1
1 286 . 9 1 1 A 31 31 HIS H H 31 7.493 7.775 -0.282 1
1 287 . 9 1 1 A 31 31 HIS CA C 31 58.956 59.590 -0.634 1
1 288 . 9 1 1 A 31 31 HIS HA H 31 4.224 4.158 0.066 1
1 289 . 9 1 1 A 31 31 HIS CB C 31 28.605 29.747 -1.142 1
1 295 . 9 1 1 A 31 31 HIS C C 31 176.314 177.238 -0.924 1
1 297 . 9 1 1 A 32 32 GLN N N 32 116.911 118.474 -1.563 1
1 298 . 9 1 1 A 32 32 GLN H H 32 8.454 8.616 -0.162 1
1 299 . 9 1 1 A 32 32 GLN CA C 32 59.194 58.842 0.352 1
1 300 . 9 1 1 A 32 32 GLN HA H 32 3.772 3.911 -0.139 1
1 301 . 9 1 1 A 32 32 GLN CB C 32 28.057 28.377 -0.320 1
1 308 . 9 1 1 A 32 32 GLN C C 32 178.135 178.133 0.002 1
1 311 . 9 1 1 A 33 33 ALA N N 33 121.580 121.714 -0.134 1
1 312 . 9 1 1 A 33 33 ALA H H 33 7.279 7.571 -0.292 1
1 313 . 9 1 1 A 33 33 ALA CA C 33 54.593 54.928 -0.335 1
1 314 . 9 1 1 A 33 33 ALA HA H 33 4.163 4.050 0.113 1
1 315 . 9 1 1 A 33 33 ALA CB C 33 18.182 18.461 -0.279 1
1 319 . 9 1 1 A 33 33 ALA C C 33 179.581 179.786 -0.205 1
1 320 . 9 1 1 A 34 34 LEU N N 34 117.524 117.013 0.511 1
1 321 . 9 1 1 A 34 34 LEU H H 34 7.733 7.498 0.235 1
1 322 . 9 1 1 A 34 34 LEU CA C 34 56.653 57.913 -1.260 1
1 323 . 9 1 1 A 34 34 LEU HA H 34 4.058 3.882 0.176 1
1 324 . 9 1 1 A 34 34 LEU CB C 34 41.217 41.200 0.017 1
1 336 . 9 1 1 A 34 34 LEU C C 34 179.011 178.881 0.130 1
1 338 . 9 1 1 A 35 35 HIS N N 35 115.390 118.420 -3.030 1
1 339 . 9 1 1 A 35 35 HIS H H 35 7.175 8.083 -0.908 1
1 340 . 9 1 1 A 35 35 HIS CA C 35 55.525 59.505 -3.980 1
1 341 . 9 1 1 A 35 35 HIS HA H 35 4.738 4.300 0.438 1
1 342 . 9 1 1 A 35 35 HIS CB C 35 28.715 29.323 -0.608 1
1 348 . 9 1 1 A 35 35 HIS C C 35 175.385 176.147 -0.762 1
1 350 . 9 1 1 A 36 36 ALA N N 36 122.651 120.152 2.499 1
1 351 . 9 1 1 A 36 36 ALA H H 36 7.634 7.299 0.335 1
1 352 . 9 1 1 A 36 36 ALA CA C 36 53.281 52.221 1.060 1
1 353 . 9 1 1 A 36 36 ALA HA H 36 4.328 4.360 -0.032 1
1 354 . 9 1 1 A 36 36 ALA CB C 36 19.154 18.787 0.367 1
1 358 . 9 1 1 A 36 36 ALA C C 36 178.273 177.229 1.044 1
1 359 . 9 1 1 A 37 37 GLY N N 37 107.266 107.478 -0.212 1
1 360 . 9 1 1 A 37 37 GLY H H 37 8.163 8.228 -0.065 1
1 361 . 9 1 1 A 37 37 GLY CA C 37 45.358 44.320 1.038 1
1 362 . 9 1 1 A 37 37 GLY HA3 H 37 3.964 4.063 -0.099 1
1 363 . 9 1 1 A 37 37 GLY C C 37 174.369 173.717 0.652 1
1 364 . 9 1 1 A 37 37 GLY HA2 H 37 4.027 4.055 -0.028 1
1 365 . 9 1 1 A 38 38 GLU N N 38 120.486 117.609 2.877 1
1 366 . 9 1 1 A 38 38 GLU H H 38 8.160 8.430 -0.270 1
1 367 . 9 1 1 A 38 38 GLU CA C 38 56.658 55.533 1.125 1
1 368 . 9 1 1 A 38 38 GLU HA H 38 4.357 4.666 -0.309 1
1 369 . 9 1 1 A 38 38 GLU CB C 38 30.381 29.828 0.553 1
1 373 . 9 1 1 A 38 38 GLU C C 38 176.730 175.443 1.287 1
1 376 . 9 1 1 A 39 39 SER N N 39 116.555 115.651 0.904 1
1 377 . 9 1 1 A 39 39 SER H H 39 8.391 7.991 0.400 1
1 378 . 9 1 1 A 39 39 SER CA C 39 58.397 56.605 1.792 1
1 379 . 9 1 1 A 39 39 SER HA H 39 4.515 5.072 -0.557 1
1 380 . 9 1 1 A 39 39 SER CB C 39 63.960 66.456 -2.496 1
1 382 . 9 1 1 A 39 39 SER C C 39 174.602 173.356 1.246 1
1 384 . 9 1 1 A 40 40 GLY N N 40 110.681 113.459 -2.778 1
1 385 . 9 1 1 A 40 40 GLY H H 40 8.239 8.396 -0.157 1
1 386 . 9 1 1 A 40 40 GLY CA C 40 44.666 44.513 0.153 1
1 387 . 9 1 1 A 40 40 GLY HA3 H 40 4.087 4.164 -0.077 1
1 388 . 9 1 1 A 40 40 GLY C C 40 171.769 173.538 -1.769 1
1 389 . 9 1 1 A 40 40 GLY HA2 H 40 4.185 4.160 0.025 1
1 390 . 9 1 1 A 41 41 PRO CA C 41 63.229 62.461 0.768 1
1 391 . 9 1 1 A 41 41 PRO HA H 41 4.489 4.586 -0.097 1
1 392 . 9 1 1 A 41 41 PRO CB C 41 32.192 33.019 -0.827 1
1 398 . 9 1 1 A 41 41 PRO C C 41 177.375 175.667 1.708 1
1 402 . 9 1 1 A 42 42 SER N N 42 116.504 117.309 -0.805 1
1 403 . 9 1 1 A 42 42 SER H H 42 8.544 8.410 0.134 1
1 404 . 9 1 1 A 42 42 SER CA C 42 58.364 57.714 0.650 1
1 405 . 9 1 1 A 42 42 SER HA H 42 4.470 4.893 -0.423 1
1 406 . 9 1 1 A 42 42 SER CB C 42 64.062 64.894 -0.832 1
1 408 . 9 1 1 A 42 42 SER C C 42 174.704 175.530 -0.826 1
1 410 . 9 1 1 A 43 43 SER N N 43 117.992 114.271 3.721 1
1 411 . 9 1 1 A 43 43 SER H H 43 8.358 8.473 -0.115 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.366 45.645 -0.279 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.975 3.974 0.001 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.840 173.885 -0.045 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 3.975 3.964 0.011 1
1 5 . 10 1 1 A 8 8 ALA N N 8 123.813 122.929 0.884 1
1 6 . 10 1 1 A 8 8 ALA H H 8 8.108 7.701 0.407 1
1 7 . 10 1 1 A 8 8 ALA CA C 8 52.400 51.823 0.577 1
1 8 . 10 1 1 A 8 8 ALA HA H 8 4.317 4.312 0.005 1
1 9 . 10 1 1 A 8 8 ALA CB C 8 19.299 19.995 -0.696 1
1 13 . 10 1 1 A 8 8 ALA C C 8 177.523 177.764 -0.241 1
1 14 . 10 1 1 A 9 9 ALA N N 9 123.426 119.367 4.059 1
1 15 . 10 1 1 A 9 9 ALA H H 9 8.272 8.661 -0.389 1
1 16 . 10 1 1 A 9 9 ALA CA C 9 52.433 52.780 -0.347 1
1 17 . 10 1 1 A 9 9 ALA HA H 9 4.313 4.072 0.241 1
1 18 . 10 1 1 A 9 9 ALA CB C 9 19.254 17.361 1.893 1
1 22 . 10 1 1 A 9 9 ALA C C 9 177.795 177.434 0.361 1
1 23 . 10 1 1 A 10 10 LYS N N 10 120.933 118.144 2.789 1
1 24 . 10 1 1 A 10 10 LYS H H 10 8.368 7.943 0.425 1
1 25 . 10 1 1 A 10 10 LYS CA C 10 56.323 59.908 -3.585 1
1 26 . 10 1 1 A 10 10 LYS HA H 10 4.427 3.855 0.572 1
1 27 . 10 1 1 A 10 10 LYS CB C 10 33.105 32.236 0.869 1
1 35 . 10 1 1 A 10 10 LYS C C 10 176.978 178.263 -1.285 1
1 40 . 10 1 1 A 11 11 THR N N 11 114.437 113.769 0.668 1
1 41 . 10 1 1 A 11 11 THR H H 11 8.308 8.024 0.284 1
1 42 . 10 1 1 A 11 11 THR CA C 11 61.617 64.856 -3.239 1
1 43 . 10 1 1 A 11 11 THR HA H 11 4.472 4.067 0.405 1
1 44 . 10 1 1 A 11 11 THR CB C 11 69.821 68.891 0.930 1
1 50 . 10 1 1 A 11 11 THR C C 11 174.562 175.263 -0.701 1
1 51 . 10 1 1 A 12 12 THR N N 12 114.598 116.172 -1.574 1
1 52 . 10 1 1 A 12 12 THR H H 12 7.915 7.994 -0.079 1
1 53 . 10 1 1 A 12 12 THR CA C 12 61.451 62.752 -1.301 1
1 54 . 10 1 1 A 12 12 THR HA H 12 4.492 4.389 0.103 1
1 55 . 10 1 1 A 12 12 THR CB C 12 70.427 69.832 0.595 1
1 61 . 10 1 1 A 12 12 THR C C 12 174.236 174.634 -0.398 1
1 62 . 10 1 1 A 13 13 SER N N 13 117.902 121.508 -3.606 1
1 63 . 10 1 1 A 13 13 SER H H 13 8.580 8.728 -0.148 1
1 64 . 10 1 1 A 13 13 SER CA C 13 58.138 58.095 0.043 1
1 65 . 10 1 1 A 13 13 SER HA H 13 4.684 4.608 0.076 1
1 66 . 10 1 1 A 13 13 SER CB C 13 65.065 61.366 3.699 1
1 68 . 10 1 1 A 13 13 SER C C 13 172.108 173.619 -1.511 1
1 70 . 10 1 1 A 14 14 GLU N N 14 124.193 125.407 -1.214 1
1 71 . 10 1 1 A 14 14 GLU H H 14 8.386 8.767 -0.381 1
1 72 . 10 1 1 A 14 14 GLU CA C 14 54.181 55.952 -1.771 1
1 73 . 10 1 1 A 14 14 GLU HA H 14 5.048 5.101 -0.053 1
1 74 . 10 1 1 A 14 14 GLU CB C 14 33.085 31.437 1.648 1
1 78 . 10 1 1 A 14 14 GLU C C 14 175.059 176.296 -1.237 1
1 81 . 10 1 1 A 15 15 CYS N N 15 126.927 125.162 1.765 1
1 82 . 10 1 1 A 15 15 CYS H H 15 9.263 9.225 0.038 1
1 83 . 10 1 1 A 15 15 CYS CA C 15 59.573 58.773 0.800 1
1 84 . 10 1 1 A 15 15 CYS HA H 15 4.562 4.503 0.059 1
1 85 . 10 1 1 A 15 15 CYS CB C 15 29.667 27.916 1.751 1
1 87 . 10 1 1 A 15 15 CYS C C 15 177.427 176.053 1.374 1
1 89 . 10 1 1 A 16 16 GLN N N 16 131.467 127.037 4.430 1
1 90 . 10 1 1 A 16 16 GLN H H 16 9.521 8.735 0.786 1
1 91 . 10 1 1 A 16 16 GLN CA C 16 57.973 58.011 -0.038 1
1 92 . 10 1 1 A 16 16 GLN HA H 16 4.175 4.103 0.072 1
1 93 . 10 1 1 A 16 16 GLN CB C 16 28.562 28.030 0.532 1
1 100 . 10 1 1 A 16 16 GLN C C 16 176.140 177.874 -1.734 1
1 103 . 10 1 1 A 17 17 GLU N N 17 120.316 118.612 1.704 1
1 104 . 10 1 1 A 17 17 GLU H H 17 8.682 7.936 0.746 1
1 105 . 10 1 1 A 17 17 GLU CA C 17 58.362 59.052 -0.690 1
1 106 . 10 1 1 A 17 17 GLU HA H 17 4.233 4.011 0.222 1
1 107 . 10 1 1 A 17 17 GLU CB C 17 29.552 29.524 0.028 1
1 111 . 10 1 1 A 17 17 GLU C C 17 177.303 178.064 -0.761 1
1 114 . 10 1 1 A 18 18 CYS N N 18 114.810 115.010 -0.200 1
1 115 . 10 1 1 A 18 18 CYS H H 18 8.042 7.941 0.101 1
1 116 . 10 1 1 A 18 18 CYS CA C 18 58.513 59.412 -0.899 1
1 117 . 10 1 1 A 18 18 CYS HA H 18 5.154 4.707 0.447 1
1 118 . 10 1 1 A 18 18 CYS CB C 18 32.408 30.213 2.195 1
1 120 . 10 1 1 A 18 18 CYS C C 18 176.323 175.631 0.692 1
1 122 . 10 1 1 A 19 19 GLY N N 19 113.476 110.113 3.363 1
1 123 . 10 1 1 A 19 19 GLY H H 19 8.183 8.456 -0.273 1
1 124 . 10 1 1 A 19 19 GLY CA C 19 46.149 45.398 0.751 1
1 125 . 10 1 1 A 19 19 GLY HA3 H 19 4.200 4.040 0.160 1
1 126 . 10 1 1 A 19 19 GLY C C 19 173.814 174.292 -0.478 1
1 127 . 10 1 1 A 19 19 GLY HA2 H 19 3.921 4.035 -0.114 1
1 128 . 10 1 1 A 20 20 LYS N N 20 122.183 120.407 1.776 1
1 129 . 10 1 1 A 20 20 LYS H H 20 7.830 7.734 0.096 1
1 130 . 10 1 1 A 20 20 LYS CA C 20 58.063 54.636 3.427 1
1 131 . 10 1 1 A 20 20 LYS HA H 20 3.979 4.519 -0.540 1
1 132 . 10 1 1 A 20 20 LYS CB C 20 34.034 34.265 -0.231 1
1 140 . 10 1 1 A 20 20 LYS C C 20 174.133 175.303 -1.170 1
1 145 . 10 1 1 A 21 21 ILE N N 21 120.927 128.147 -7.220 1
1 146 . 10 1 1 A 21 21 ILE H H 21 7.770 8.441 -0.671 1
1 147 . 10 1 1 A 21 21 ILE CA C 21 60.180 60.799 -0.619 1
1 148 . 10 1 1 A 21 21 ILE HA H 21 4.452 4.232 0.220 1
1 149 . 10 1 1 A 21 21 ILE CB C 21 39.694 37.916 1.778 1
1 161 . 10 1 1 A 21 21 ILE C C 21 175.461 175.124 0.337 1
1 163 . 10 1 1 A 22 22 PHE N N 22 123.258 124.786 -1.528 1
1 164 . 10 1 1 A 22 22 PHE H H 22 8.648 8.475 0.173 1
1 165 . 10 1 1 A 22 22 PHE CA C 22 56.828 56.306 0.522 1
1 166 . 10 1 1 A 22 22 PHE HA H 22 4.710 4.923 -0.213 1
1 167 . 10 1 1 A 22 22 PHE CB C 22 43.452 41.939 1.513 1
1 179 . 10 1 1 A 22 22 PHE C C 22 176.151 175.673 0.478 1
1 181 . 10 1 1 A 23 23 ARG N N 23 119.153 125.559 -6.406 1
1 182 . 10 1 1 A 23 23 ARG H H 23 9.094 8.920 0.174 1
1 183 . 10 1 1 A 23 23 ARG CA C 23 57.288 59.744 -2.456 1
1 184 . 10 1 1 A 23 23 ARG HA H 23 4.241 3.978 0.263 1
1 185 . 10 1 1 A 23 23 ARG CB C 23 30.571 30.454 0.117 1
1 191 . 10 1 1 A 23 23 ARG C C 23 174.928 176.005 -1.077 1
1 195 . 10 1 1 A 24 24 HIS N N 24 113.877 113.475 0.402 1
1 196 . 10 1 1 A 24 24 HIS H H 24 7.141 7.440 -0.299 1
1 197 . 10 1 1 A 24 24 HIS CA C 24 56.129 53.715 2.414 1
1 198 . 10 1 1 A 24 24 HIS HA H 24 4.863 4.901 -0.038 1
1 199 . 10 1 1 A 24 24 HIS CB C 24 34.501 32.508 1.993 1
1 205 . 10 1 1 A 24 24 HIS C C 24 176.303 176.024 0.279 1
1 207 . 10 1 1 A 25 25 SER CA C 25 61.779 62.597 -0.818 1
1 208 . 10 1 1 A 25 25 SER HA H 25 4.060 3.979 0.081 1
1 209 . 10 1 1 A 25 25 SER CB C 25 62.462 63.018 -0.556 1
1 212 . 10 1 1 A 26 26 SER N N 26 119.893 116.651 3.242 1
1 213 . 10 1 1 A 26 26 SER H H 26 9.650 8.332 1.318 1
1 214 . 10 1 1 A 26 26 SER CA C 26 61.866 62.571 -0.705 1
1 215 . 10 1 1 A 26 26 SER HA H 26 3.950 4.145 -0.195 1
1 216 . 10 1 1 A 26 26 SER CB C 26 61.788 62.788 -1.000 1
1 218 . 10 1 1 A 26 26 SER C C 26 176.964 176.578 0.386 1
1 220 . 10 1 1 A 27 27 LEU N N 27 121.674 120.667 1.007 1
1 221 . 10 1 1 A 27 27 LEU H H 27 7.141 7.700 -0.559 1
1 222 . 10 1 1 A 27 27 LEU CA C 27 56.669 57.970 -1.301 1
1 223 . 10 1 1 A 27 27 LEU HA H 27 4.170 3.842 0.328 1
1 224 . 10 1 1 A 27 27 LEU CB C 27 41.962 41.528 0.434 1
1 236 . 10 1 1 A 27 27 LEU C C 27 179.312 179.061 0.251 1
1 238 . 10 1 1 A 28 28 LEU N N 28 121.976 119.532 2.444 1
1 239 . 10 1 1 A 28 28 LEU H H 28 7.075 7.929 -0.854 1
1 240 . 10 1 1 A 28 28 LEU CA C 28 57.616 57.340 0.276 1
1 241 . 10 1 1 A 28 28 LEU HA H 28 3.216 2.745 0.471 1
1 242 . 10 1 1 A 28 28 LEU CB C 28 40.475 41.431 -0.956 1
1 254 . 10 1 1 A 28 28 LEU C C 28 177.651 178.283 -0.632 1
1 256 . 10 1 1 A 29 29 ILE N N 29 119.789 119.343 0.446 1
1 257 . 10 1 1 A 29 29 ILE H H 29 7.956 8.388 -0.432 1
1 258 . 10 1 1 A 29 29 ILE CA C 29 64.818 65.318 -0.500 1
1 259 . 10 1 1 A 29 29 ILE HA H 29 3.770 3.604 0.166 1
1 260 . 10 1 1 A 29 29 ILE CB C 29 37.729 37.794 -0.065 1
1 272 . 10 1 1 A 29 29 ILE C C 29 179.269 178.019 1.250 1
1 274 . 10 1 1 A 30 30 GLU N N 30 119.089 119.494 -0.405 1
1 275 . 10 1 1 A 30 30 GLU H H 30 7.425 7.982 -0.557 1
1 276 . 10 1 1 A 30 30 GLU CA C 30 59.239 59.424 -0.185 1
1 277 . 10 1 1 A 30 30 GLU HA H 30 4.030 3.967 0.063 1
1 278 . 10 1 1 A 30 30 GLU CB C 30 29.976 29.300 0.676 1
1 282 . 10 1 1 A 30 30 GLU C C 30 178.534 178.582 -0.048 1
1 285 . 10 1 1 A 31 31 HIS N N 31 118.679 120.551 -1.872 1
1 286 . 10 1 1 A 31 31 HIS H H 31 7.493 7.753 -0.260 1
1 287 . 10 1 1 A 31 31 HIS CA C 31 58.956 59.400 -0.444 1
1 288 . 10 1 1 A 31 31 HIS HA H 31 4.224 4.160 0.064 1
1 289 . 10 1 1 A 31 31 HIS CB C 31 28.605 29.432 -0.827 1
1 295 . 10 1 1 A 31 31 HIS C C 31 176.314 177.119 -0.805 1
1 297 . 10 1 1 A 32 32 GLN N N 32 116.911 117.633 -0.722 1
1 298 . 10 1 1 A 32 32 GLN H H 32 8.454 8.688 -0.234 1
1 299 . 10 1 1 A 32 32 GLN CA C 32 59.194 59.109 0.085 1
1 300 . 10 1 1 A 32 32 GLN HA H 32 3.772 3.994 -0.222 1
1 301 . 10 1 1 A 32 32 GLN CB C 32 28.057 28.158 -0.101 1
1 308 . 10 1 1 A 32 32 GLN C C 32 178.135 178.362 -0.227 1
1 311 . 10 1 1 A 33 33 ALA N N 33 121.580 121.471 0.109 1
1 312 . 10 1 1 A 33 33 ALA H H 33 7.279 7.516 -0.237 1
1 313 . 10 1 1 A 33 33 ALA CA C 33 54.593 54.892 -0.299 1
1 314 . 10 1 1 A 33 33 ALA HA H 33 4.163 4.055 0.108 1
1 315 . 10 1 1 A 33 33 ALA CB C 33 18.182 18.485 -0.303 1
1 319 . 10 1 1 A 33 33 ALA C C 33 179.581 179.667 -0.086 1
1 320 . 10 1 1 A 34 34 LEU N N 34 117.524 117.186 0.338 1
1 321 . 10 1 1 A 34 34 LEU H H 34 7.733 7.687 0.046 1
1 322 . 10 1 1 A 34 34 LEU CA C 34 56.653 57.860 -1.207 1
1 323 . 10 1 1 A 34 34 LEU HA H 34 4.058 3.839 0.219 1
1 324 . 10 1 1 A 34 34 LEU CB C 34 41.217 41.170 0.047 1
1 336 . 10 1 1 A 34 34 LEU C C 34 179.011 178.895 0.116 1
1 338 . 10 1 1 A 35 35 HIS N N 35 115.390 118.617 -3.227 1
1 339 . 10 1 1 A 35 35 HIS H H 35 7.175 7.964 -0.789 1
1 340 . 10 1 1 A 35 35 HIS CA C 35 55.525 59.701 -4.176 1
1 341 . 10 1 1 A 35 35 HIS HA H 35 4.738 4.304 0.434 1
1 342 . 10 1 1 A 35 35 HIS CB C 35 28.715 29.416 -0.701 1
1 348 . 10 1 1 A 35 35 HIS C C 35 175.385 177.713 -2.328 1
1 350 . 10 1 1 A 36 36 ALA N N 36 122.651 121.652 0.999 1
1 351 . 10 1 1 A 36 36 ALA H H 36 7.634 7.536 0.098 1
1 352 . 10 1 1 A 36 36 ALA CA C 36 53.281 54.757 -1.476 1
1 353 . 10 1 1 A 36 36 ALA HA H 36 4.328 3.996 0.332 1
1 354 . 10 1 1 A 36 36 ALA CB C 36 19.154 18.740 0.414 1
1 358 . 10 1 1 A 36 36 ALA C C 36 178.273 178.218 0.055 1
1 359 . 10 1 1 A 37 37 GLY N N 37 107.266 104.983 2.283 1
1 360 . 10 1 1 A 37 37 GLY H H 37 8.163 8.017 0.146 1
1 361 . 10 1 1 A 37 37 GLY CA C 37 45.358 45.197 0.161 1
1 362 . 10 1 1 A 37 37 GLY HA3 H 37 3.964 4.041 -0.077 1
1 363 . 10 1 1 A 37 37 GLY C C 37 174.369 173.689 0.680 1
1 364 . 10 1 1 A 37 37 GLY HA2 H 37 4.027 4.030 -0.003 1
1 365 . 10 1 1 A 38 38 GLU N N 38 120.486 121.960 -1.474 1
1 366 . 10 1 1 A 38 38 GLU H H 38 8.160 8.553 -0.393 1
1 367 . 10 1 1 A 38 38 GLU CA C 38 56.658 57.034 -0.376 1
1 368 . 10 1 1 A 38 38 GLU HA H 38 4.357 4.238 0.119 1
1 369 . 10 1 1 A 38 38 GLU CB C 38 30.381 30.329 0.052 1
1 373 . 10 1 1 A 38 38 GLU C C 38 176.730 176.156 0.574 1
1 376 . 10 1 1 A 39 39 SER N N 39 116.555 119.298 -2.743 1
1 377 . 10 1 1 A 39 39 SER H H 39 8.391 8.558 -0.167 1
1 378 . 10 1 1 A 39 39 SER CA C 39 58.397 58.237 0.160 1
1 379 . 10 1 1 A 39 39 SER HA H 39 4.515 4.573 -0.058 1
1 380 . 10 1 1 A 39 39 SER CB C 39 63.960 64.225 -0.265 1
1 382 . 10 1 1 A 39 39 SER C C 39 174.602 173.797 0.805 1
1 384 . 10 1 1 A 40 40 GLY N N 40 110.681 111.542 -0.861 1
1 385 . 10 1 1 A 40 40 GLY H H 40 8.239 8.264 -0.025 1
1 386 . 10 1 1 A 40 40 GLY CA C 40 44.666 45.921 -1.255 1
1 387 . 10 1 1 A 40 40 GLY HA3 H 40 4.087 4.026 0.061 1
1 388 . 10 1 1 A 40 40 GLY C C 40 171.769 173.348 -1.579 1
1 389 . 10 1 1 A 40 40 GLY HA2 H 40 4.185 4.026 0.159 1
1 390 . 10 1 1 A 41 41 PRO CA C 41 63.229 62.613 0.616 1
1 391 . 10 1 1 A 41 41 PRO HA H 41 4.489 4.705 -0.216 1
1 392 . 10 1 1 A 41 41 PRO CB C 41 32.192 30.407 1.785 1
1 398 . 10 1 1 A 41 41 PRO C C 41 177.375 176.618 0.757 1
1 402 . 10 1 1 A 42 42 SER N N 42 116.504 120.638 -4.134 1
1 403 . 10 1 1 A 42 42 SER H H 42 8.544 8.373 0.171 1
1 404 . 10 1 1 A 42 42 SER CA C 42 58.364 57.886 0.478 1
1 405 . 10 1 1 A 42 42 SER HA H 42 4.470 4.726 -0.256 1
1 406 . 10 1 1 A 42 42 SER CB C 42 64.062 63.237 0.825 1
1 408 . 10 1 1 A 42 42 SER C C 42 174.704 174.303 0.401 1
1 410 . 10 1 1 A 43 43 SER N N 43 117.992 116.928 1.064 1
1 411 . 10 1 1 A 43 43 SER H H 43 8.358 8.270 0.088 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.366 45.377 -0.011 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.975 4.320 -0.345 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.840 173.256 0.584 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 3.975 4.317 -0.342 1
1 5 . 11 1 1 A 8 8 ALA N N 8 123.813 120.897 2.916 1
1 6 . 11 1 1 A 8 8 ALA H H 8 8.108 8.388 -0.280 1
1 7 . 11 1 1 A 8 8 ALA CA C 8 52.400 53.485 -1.085 1
1 8 . 11 1 1 A 8 8 ALA HA H 8 4.317 4.526 -0.209 1
1 9 . 11 1 1 A 8 8 ALA CB C 8 19.299 21.434 -2.135 1
1 13 . 11 1 1 A 8 8 ALA C C 8 177.523 177.122 0.401 1
1 14 . 11 1 1 A 9 9 ALA N N 9 123.426 116.684 6.742 1
1 15 . 11 1 1 A 9 9 ALA H H 9 8.272 7.814 0.458 1
1 16 . 11 1 1 A 9 9 ALA CA C 9 52.433 51.242 1.191 1
1 17 . 11 1 1 A 9 9 ALA HA H 9 4.313 4.521 -0.208 1
1 18 . 11 1 1 A 9 9 ALA CB C 9 19.254 22.580 -3.326 1
1 22 . 11 1 1 A 9 9 ALA C C 9 177.795 176.423 1.372 1
1 23 . 11 1 1 A 10 10 LYS N N 10 120.933 116.473 4.460 1
1 24 . 11 1 1 A 10 10 LYS H H 10 8.368 8.325 0.043 1
1 25 . 11 1 1 A 10 10 LYS CA C 10 56.323 56.367 -0.044 1
1 26 . 11 1 1 A 10 10 LYS HA H 10 4.427 4.466 -0.039 1
1 27 . 11 1 1 A 10 10 LYS CB C 10 33.105 31.576 1.529 1
1 35 . 11 1 1 A 10 10 LYS C C 10 176.978 176.813 0.165 1
1 40 . 11 1 1 A 11 11 THR N N 11 114.437 111.109 3.328 1
1 41 . 11 1 1 A 11 11 THR H H 11 8.308 7.783 0.525 1
1 42 . 11 1 1 A 11 11 THR CA C 11 61.617 60.652 0.965 1
1 43 . 11 1 1 A 11 11 THR HA H 11 4.472 4.727 -0.255 1
1 44 . 11 1 1 A 11 11 THR CB C 11 69.821 68.867 0.954 1
1 50 . 11 1 1 A 11 11 THR C C 11 174.562 173.546 1.016 1
1 51 . 11 1 1 A 12 12 THR N N 12 114.598 116.807 -2.209 1
1 52 . 11 1 1 A 12 12 THR H H 12 7.915 7.506 0.409 1
1 53 . 11 1 1 A 12 12 THR CA C 12 61.451 61.466 -0.015 1
1 54 . 11 1 1 A 12 12 THR HA H 12 4.492 5.040 -0.548 1
1 55 . 11 1 1 A 12 12 THR CB C 12 70.427 72.551 -2.124 1
1 61 . 11 1 1 A 12 12 THR C C 12 174.236 173.782 0.454 1
1 62 . 11 1 1 A 13 13 SER N N 13 117.902 121.935 -4.033 1
1 63 . 11 1 1 A 13 13 SER H H 13 8.580 8.719 -0.139 1
1 64 . 11 1 1 A 13 13 SER CA C 13 58.138 58.994 -0.856 1
1 65 . 11 1 1 A 13 13 SER HA H 13 4.684 4.545 0.139 1
1 66 . 11 1 1 A 13 13 SER CB C 13 65.065 61.413 3.652 1
1 68 . 11 1 1 A 13 13 SER C C 13 172.108 173.857 -1.749 1
1 70 . 11 1 1 A 14 14 GLU N N 14 124.193 125.614 -1.421 1
1 71 . 11 1 1 A 14 14 GLU H H 14 8.386 8.812 -0.426 1
1 72 . 11 1 1 A 14 14 GLU CA C 14 54.181 55.283 -1.102 1
1 73 . 11 1 1 A 14 14 GLU HA H 14 5.048 5.189 -0.141 1
1 74 . 11 1 1 A 14 14 GLU CB C 14 33.085 31.982 1.103 1
1 78 . 11 1 1 A 14 14 GLU C C 14 175.059 175.825 -0.766 1
1 81 . 11 1 1 A 15 15 CYS N N 15 126.927 124.859 2.068 1
1 82 . 11 1 1 A 15 15 CYS H H 15 9.263 9.028 0.235 1
1 83 . 11 1 1 A 15 15 CYS CA C 15 59.573 58.350 1.223 1
1 84 . 11 1 1 A 15 15 CYS HA H 15 4.562 4.650 -0.088 1
1 85 . 11 1 1 A 15 15 CYS CB C 15 29.667 28.183 1.484 1
1 87 . 11 1 1 A 15 15 CYS C C 15 177.427 176.073 1.354 1
1 89 . 11 1 1 A 16 16 GLN N N 16 131.467 126.940 4.527 1
1 90 . 11 1 1 A 16 16 GLN H H 16 9.521 8.753 0.768 1
1 91 . 11 1 1 A 16 16 GLN CA C 16 57.973 58.213 -0.240 1
1 92 . 11 1 1 A 16 16 GLN HA H 16 4.175 4.078 0.097 1
1 93 . 11 1 1 A 16 16 GLN CB C 16 28.562 28.016 0.546 1
1 100 . 11 1 1 A 16 16 GLN C C 16 176.140 177.918 -1.778 1
1 103 . 11 1 1 A 17 17 GLU N N 17 120.316 118.600 1.716 1
1 104 . 11 1 1 A 17 17 GLU H H 17 8.682 8.178 0.504 1
1 105 . 11 1 1 A 17 17 GLU CA C 17 58.362 58.730 -0.368 1
1 106 . 11 1 1 A 17 17 GLU HA H 17 4.233 4.023 0.210 1
1 107 . 11 1 1 A 17 17 GLU CB C 17 29.552 29.282 0.270 1
1 111 . 11 1 1 A 17 17 GLU C C 17 177.303 178.147 -0.844 1
1 114 . 11 1 1 A 18 18 CYS N N 18 114.810 114.991 -0.181 1
1 115 . 11 1 1 A 18 18 CYS H H 18 8.042 8.022 0.020 1
1 116 . 11 1 1 A 18 18 CYS CA C 18 58.513 59.550 -1.037 1
1 117 . 11 1 1 A 18 18 CYS HA H 18 5.154 4.691 0.463 1
1 118 . 11 1 1 A 18 18 CYS CB C 18 32.408 30.081 2.327 1
1 120 . 11 1 1 A 18 18 CYS C C 18 176.323 175.522 0.801 1
1 122 . 11 1 1 A 19 19 GLY N N 19 113.476 110.120 3.356 1
1 123 . 11 1 1 A 19 19 GLY H H 19 8.183 8.317 -0.134 1
1 124 . 11 1 1 A 19 19 GLY CA C 19 46.149 45.469 0.680 1
1 125 . 11 1 1 A 19 19 GLY HA3 H 19 4.200 4.043 0.157 1
1 126 . 11 1 1 A 19 19 GLY C C 19 173.814 174.289 -0.475 1
1 127 . 11 1 1 A 19 19 GLY HA2 H 19 3.921 4.039 -0.118 1
1 128 . 11 1 1 A 20 20 LYS N N 20 122.183 120.199 1.984 1
1 129 . 11 1 1 A 20 20 LYS H H 20 7.830 7.687 0.143 1
1 130 . 11 1 1 A 20 20 LYS CA C 20 58.063 54.610 3.453 1
1 131 . 11 1 1 A 20 20 LYS HA H 20 3.979 4.519 -0.540 1
1 132 . 11 1 1 A 20 20 LYS CB C 20 34.034 34.117 -0.083 1
1 140 . 11 1 1 A 20 20 LYS C C 20 174.133 175.239 -1.106 1
1 145 . 11 1 1 A 21 21 ILE N N 21 120.927 127.416 -6.489 1
1 146 . 11 1 1 A 21 21 ILE H H 21 7.770 8.431 -0.661 1
1 147 . 11 1 1 A 21 21 ILE CA C 21 60.180 60.802 -0.622 1
1 148 . 11 1 1 A 21 21 ILE HA H 21 4.452 4.251 0.201 1
1 149 . 11 1 1 A 21 21 ILE CB C 21 39.694 37.953 1.741 1
1 161 . 11 1 1 A 21 21 ILE C C 21 175.461 175.146 0.315 1
1 163 . 11 1 1 A 22 22 PHE N N 22 123.258 124.565 -1.307 1
1 164 . 11 1 1 A 22 22 PHE H H 22 8.648 8.539 0.109 1
1 165 . 11 1 1 A 22 22 PHE CA C 22 56.828 56.258 0.570 1
1 166 . 11 1 1 A 22 22 PHE HA H 22 4.710 4.869 -0.159 1
1 167 . 11 1 1 A 22 22 PHE CB C 22 43.452 42.257 1.195 1
1 179 . 11 1 1 A 22 22 PHE C C 22 176.151 175.716 0.435 1
1 181 . 11 1 1 A 23 23 ARG N N 23 119.153 125.103 -5.950 1
1 182 . 11 1 1 A 23 23 ARG H H 23 9.094 8.911 0.183 1
1 183 . 11 1 1 A 23 23 ARG CA C 23 57.288 59.609 -2.321 1
1 184 . 11 1 1 A 23 23 ARG HA H 23 4.241 4.005 0.236 1
1 185 . 11 1 1 A 23 23 ARG CB C 23 30.571 30.770 -0.199 1
1 191 . 11 1 1 A 23 23 ARG C C 23 174.928 175.866 -0.938 1
1 195 . 11 1 1 A 24 24 HIS N N 24 113.877 113.547 0.330 1
1 196 . 11 1 1 A 24 24 HIS H H 24 7.141 7.476 -0.335 1
1 197 . 11 1 1 A 24 24 HIS CA C 24 56.129 53.696 2.433 1
1 198 . 11 1 1 A 24 24 HIS HA H 24 4.863 4.898 -0.035 1
1 199 . 11 1 1 A 24 24 HIS CB C 24 34.501 32.506 1.995 1
1 205 . 11 1 1 A 24 24 HIS C C 24 176.303 176.012 0.291 1
1 207 . 11 1 1 A 25 25 SER CA C 25 61.779 62.591 -0.812 1
1 208 . 11 1 1 A 25 25 SER HA H 25 4.060 3.979 0.081 1
1 209 . 11 1 1 A 25 25 SER CB C 25 62.462 63.014 -0.552 1
1 212 . 11 1 1 A 26 26 SER N N 26 119.893 116.833 3.060 1
1 213 . 11 1 1 A 26 26 SER H H 26 9.650 8.300 1.350 1
1 214 . 11 1 1 A 26 26 SER CA C 26 61.866 62.575 -0.709 1
1 215 . 11 1 1 A 26 26 SER HA H 26 3.950 4.141 -0.191 1
1 216 . 11 1 1 A 26 26 SER CB C 26 61.788 62.720 -0.932 1
1 218 . 11 1 1 A 26 26 SER C C 26 176.964 176.594 0.370 1
1 220 . 11 1 1 A 27 27 LEU N N 27 121.674 120.394 1.280 1
1 221 . 11 1 1 A 27 27 LEU H H 27 7.141 7.738 -0.597 1
1 222 . 11 1 1 A 27 27 LEU CA C 27 56.669 57.936 -1.267 1
1 223 . 11 1 1 A 27 27 LEU HA H 27 4.170 3.775 0.395 1
1 224 . 11 1 1 A 27 27 LEU CB C 27 41.962 41.530 0.432 1
1 236 . 11 1 1 A 27 27 LEU C C 27 179.312 179.027 0.285 1
1 238 . 11 1 1 A 28 28 LEU N N 28 121.976 119.162 2.814 1
1 239 . 11 1 1 A 28 28 LEU H H 28 7.075 7.879 -0.804 1
1 240 . 11 1 1 A 28 28 LEU CA C 28 57.616 57.390 0.226 1
1 241 . 11 1 1 A 28 28 LEU HA H 28 3.216 2.591 0.625 1
1 242 . 11 1 1 A 28 28 LEU CB C 28 40.475 41.276 -0.801 1
1 254 . 11 1 1 A 28 28 LEU C C 28 177.651 178.255 -0.604 1
1 256 . 11 1 1 A 29 29 ILE N N 29 119.789 119.447 0.342 1
1 257 . 11 1 1 A 29 29 ILE H H 29 7.956 8.425 -0.469 1
1 258 . 11 1 1 A 29 29 ILE CA C 29 64.818 65.313 -0.495 1
1 259 . 11 1 1 A 29 29 ILE HA H 29 3.770 3.567 0.203 1
1 260 . 11 1 1 A 29 29 ILE CB C 29 37.729 37.808 -0.079 1
1 272 . 11 1 1 A 29 29 ILE C C 29 179.269 177.636 1.633 1
1 274 . 11 1 1 A 30 30 GLU N N 30 119.089 119.481 -0.392 1
1 275 . 11 1 1 A 30 30 GLU H H 30 7.425 7.889 -0.464 1
1 276 . 11 1 1 A 30 30 GLU CA C 30 59.239 59.461 -0.222 1
1 277 . 11 1 1 A 30 30 GLU HA H 30 4.030 3.955 0.075 1
1 278 . 11 1 1 A 30 30 GLU CB C 30 29.976 29.288 0.688 1
1 282 . 11 1 1 A 30 30 GLU C C 30 178.534 178.544 -0.010 1
1 285 . 11 1 1 A 31 31 HIS N N 31 118.679 120.678 -1.999 1
1 286 . 11 1 1 A 31 31 HIS H H 31 7.493 7.777 -0.284 1
1 287 . 11 1 1 A 31 31 HIS CA C 31 58.956 59.565 -0.609 1
1 288 . 11 1 1 A 31 31 HIS HA H 31 4.224 4.130 0.094 1
1 289 . 11 1 1 A 31 31 HIS CB C 31 28.605 29.439 -0.834 1
1 295 . 11 1 1 A 31 31 HIS C C 31 176.314 176.943 -0.629 1
1 297 . 11 1 1 A 32 32 GLN N N 32 116.911 117.392 -0.481 1
1 298 . 11 1 1 A 32 32 GLN H H 32 8.454 8.628 -0.174 1
1 299 . 11 1 1 A 32 32 GLN CA C 32 59.194 59.128 0.066 1
1 300 . 11 1 1 A 32 32 GLN HA H 32 3.772 3.944 -0.172 1
1 301 . 11 1 1 A 32 32 GLN CB C 32 28.057 28.165 -0.108 1
1 308 . 11 1 1 A 32 32 GLN C C 32 178.135 178.296 -0.161 1
1 311 . 11 1 1 A 33 33 ALA N N 33 121.580 121.439 0.141 1
1 312 . 11 1 1 A 33 33 ALA H H 33 7.279 7.500 -0.221 1
1 313 . 11 1 1 A 33 33 ALA CA C 33 54.593 54.933 -0.340 1
1 314 . 11 1 1 A 33 33 ALA HA H 33 4.163 4.053 0.110 1
1 315 . 11 1 1 A 33 33 ALA CB C 33 18.182 18.543 -0.361 1
1 319 . 11 1 1 A 33 33 ALA C C 33 179.581 179.757 -0.176 1
1 320 . 11 1 1 A 34 34 LEU N N 34 117.524 116.798 0.726 1
1 321 . 11 1 1 A 34 34 LEU H H 34 7.733 7.711 0.022 1
1 322 . 11 1 1 A 34 34 LEU CA C 34 56.653 57.838 -1.185 1
1 323 . 11 1 1 A 34 34 LEU HA H 34 4.058 3.869 0.189 1
1 324 . 11 1 1 A 34 34 LEU CB C 34 41.217 41.209 0.008 1
1 336 . 11 1 1 A 34 34 LEU C C 34 179.011 178.613 0.398 1
1 338 . 11 1 1 A 35 35 HIS N N 35 115.390 118.051 -2.661 1
1 339 . 11 1 1 A 35 35 HIS H H 35 7.175 7.890 -0.715 1
1 340 . 11 1 1 A 35 35 HIS CA C 35 55.525 59.197 -3.672 1
1 341 . 11 1 1 A 35 35 HIS HA H 35 4.738 4.356 0.382 1
1 342 . 11 1 1 A 35 35 HIS CB C 35 28.715 29.624 -0.909 1
1 348 . 11 1 1 A 35 35 HIS C C 35 175.385 176.654 -1.269 1
1 350 . 11 1 1 A 36 36 ALA N N 36 122.651 120.350 2.301 1
1 351 . 11 1 1 A 36 36 ALA H H 36 7.634 7.245 0.389 1
1 352 . 11 1 1 A 36 36 ALA CA C 36 53.281 53.684 -0.403 1
1 353 . 11 1 1 A 36 36 ALA HA H 36 4.328 3.996 0.332 1
1 354 . 11 1 1 A 36 36 ALA CB C 36 19.154 18.703 0.451 1
1 358 . 11 1 1 A 36 36 ALA C C 36 178.273 177.556 0.717 1
1 359 . 11 1 1 A 37 37 GLY N N 37 107.266 109.655 -2.389 1
1 360 . 11 1 1 A 37 37 GLY H H 37 8.163 8.179 -0.016 1
1 361 . 11 1 1 A 37 37 GLY CA C 37 45.358 46.114 -0.756 1
1 362 . 11 1 1 A 37 37 GLY HA3 H 37 3.964 4.209 -0.245 1
1 363 . 11 1 1 A 37 37 GLY C C 37 174.369 171.435 2.934 1
1 364 . 11 1 1 A 37 37 GLY HA2 H 37 4.027 4.204 -0.177 1
1 365 . 11 1 1 A 38 38 GLU N N 38 120.486 120.643 -0.157 1
1 366 . 11 1 1 A 38 38 GLU H H 38 8.160 8.635 -0.475 1
1 367 . 11 1 1 A 38 38 GLU CA C 38 56.658 55.599 1.059 1
1 368 . 11 1 1 A 38 38 GLU HA H 38 4.357 4.395 -0.038 1
1 369 . 11 1 1 A 38 38 GLU CB C 38 30.381 30.634 -0.253 1
1 373 . 11 1 1 A 38 38 GLU C C 38 176.730 177.946 -1.216 1
1 376 . 11 1 1 A 39 39 SER N N 39 116.555 118.729 -2.174 1
1 377 . 11 1 1 A 39 39 SER H H 39 8.391 9.013 -0.622 1
1 378 . 11 1 1 A 39 39 SER CA C 39 58.397 62.286 -3.889 1
1 379 . 11 1 1 A 39 39 SER HA H 39 4.515 4.077 0.438 1
1 380 . 11 1 1 A 39 39 SER CB C 39 63.960 62.751 1.209 1
1 382 . 11 1 1 A 39 39 SER C C 39 174.602 175.105 -0.503 1
1 384 . 11 1 1 A 40 40 GLY N N 40 110.681 108.605 2.076 1
1 385 . 11 1 1 A 40 40 GLY H H 40 8.239 7.945 0.294 1
1 386 . 11 1 1 A 40 40 GLY CA C 40 44.666 44.922 -0.256 1
1 387 . 11 1 1 A 40 40 GLY HA3 H 40 4.087 3.992 0.095 1
1 388 . 11 1 1 A 40 40 GLY C C 40 171.769 174.324 -2.555 1
1 389 . 11 1 1 A 40 40 GLY HA2 H 40 4.185 3.990 0.195 1
1 390 . 11 1 1 A 41 41 PRO CA C 41 63.229 64.127 -0.898 1
1 391 . 11 1 1 A 41 41 PRO HA H 41 4.489 4.525 -0.036 1
1 392 . 11 1 1 A 41 41 PRO CB C 41 32.192 31.875 0.317 1
1 398 . 11 1 1 A 41 41 PRO C C 41 177.375 176.347 1.028 1
1 402 . 11 1 1 A 42 42 SER N N 42 116.504 111.318 5.186 1
1 403 . 11 1 1 A 42 42 SER H H 42 8.544 8.128 0.416 1
1 404 . 11 1 1 A 42 42 SER CA C 42 58.364 57.247 1.117 1
1 405 . 11 1 1 A 42 42 SER HA H 42 4.470 4.640 -0.170 1
1 406 . 11 1 1 A 42 42 SER CB C 42 64.062 62.849 1.213 1
1 408 . 11 1 1 A 42 42 SER C C 42 174.704 173.519 1.185 1
1 410 . 11 1 1 A 43 43 SER N N 43 117.992 119.118 -1.126 1
1 411 . 11 1 1 A 43 43 SER H H 43 8.358 8.715 -0.357 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.366 45.515 -0.149 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.975 4.122 -0.147 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.840 173.756 0.084 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 3.975 4.111 -0.136 1
1 5 . 12 1 1 A 8 8 ALA N N 8 123.813 124.972 -1.159 1
1 6 . 12 1 1 A 8 8 ALA H H 8 8.108 8.140 -0.032 1
1 7 . 12 1 1 A 8 8 ALA CA C 8 52.400 51.280 1.120 1
1 8 . 12 1 1 A 8 8 ALA HA H 8 4.317 4.532 -0.215 1
1 9 . 12 1 1 A 8 8 ALA CB C 8 19.299 19.208 0.091 1
1 13 . 12 1 1 A 8 8 ALA C C 8 177.523 177.451 0.072 1
1 14 . 12 1 1 A 9 9 ALA N N 9 123.426 122.540 0.886 1
1 15 . 12 1 1 A 9 9 ALA H H 9 8.272 8.080 0.192 1
1 16 . 12 1 1 A 9 9 ALA CA C 9 52.433 51.195 1.238 1
1 17 . 12 1 1 A 9 9 ALA HA H 9 4.313 4.543 -0.230 1
1 18 . 12 1 1 A 9 9 ALA CB C 9 19.254 19.263 -0.009 1
1 22 . 12 1 1 A 9 9 ALA C C 9 177.795 176.330 1.465 1
1 23 . 12 1 1 A 10 10 LYS N N 10 120.933 118.657 2.276 1
1 24 . 12 1 1 A 10 10 LYS H H 10 8.368 7.523 0.845 1
1 25 . 12 1 1 A 10 10 LYS CA C 10 56.323 55.657 0.666 1
1 26 . 12 1 1 A 10 10 LYS HA H 10 4.427 4.692 -0.265 1
1 27 . 12 1 1 A 10 10 LYS CB C 10 33.105 36.291 -3.186 1
1 35 . 12 1 1 A 10 10 LYS C C 10 176.978 175.603 1.375 1
1 40 . 12 1 1 A 11 11 THR N N 11 114.437 117.448 -3.011 1
1 41 . 12 1 1 A 11 11 THR H H 11 8.308 8.371 -0.063 1
1 42 . 12 1 1 A 11 11 THR CA C 11 61.617 63.522 -1.905 1
1 43 . 12 1 1 A 11 11 THR HA H 11 4.472 4.396 0.076 1
1 44 . 12 1 1 A 11 11 THR CB C 11 69.821 69.255 0.566 1
1 50 . 12 1 1 A 11 11 THR C C 11 174.562 174.906 -0.344 1
1 51 . 12 1 1 A 12 12 THR N N 12 114.598 117.001 -2.403 1
1 52 . 12 1 1 A 12 12 THR H H 12 7.915 7.662 0.253 1
1 53 . 12 1 1 A 12 12 THR CA C 12 61.451 63.114 -1.663 1
1 54 . 12 1 1 A 12 12 THR HA H 12 4.492 4.355 0.137 1
1 55 . 12 1 1 A 12 12 THR CB C 12 70.427 69.899 0.528 1
1 61 . 12 1 1 A 12 12 THR C C 12 174.236 174.598 -0.362 1
1 62 . 12 1 1 A 13 13 SER N N 13 117.902 121.592 -3.690 1
1 63 . 12 1 1 A 13 13 SER H H 13 8.580 8.223 0.357 1
1 64 . 12 1 1 A 13 13 SER CA C 13 58.138 59.049 -0.911 1
1 65 . 12 1 1 A 13 13 SER HA H 13 4.684 4.694 -0.010 1
1 66 . 12 1 1 A 13 13 SER CB C 13 65.065 63.060 2.005 1
1 68 . 12 1 1 A 13 13 SER C C 13 172.108 173.527 -1.419 1
1 70 . 12 1 1 A 14 14 GLU N N 14 124.193 126.372 -2.179 1
1 71 . 12 1 1 A 14 14 GLU H H 14 8.386 8.448 -0.062 1
1 72 . 12 1 1 A 14 14 GLU CA C 14 54.181 54.925 -0.744 1
1 73 . 12 1 1 A 14 14 GLU HA H 14 5.048 5.161 -0.113 1
1 74 . 12 1 1 A 14 14 GLU CB C 14 33.085 33.150 -0.065 1
1 78 . 12 1 1 A 14 14 GLU C C 14 175.059 175.562 -0.503 1
1 81 . 12 1 1 A 15 15 CYS N N 15 126.927 124.985 1.942 1
1 82 . 12 1 1 A 15 15 CYS H H 15 9.263 8.902 0.361 1
1 83 . 12 1 1 A 15 15 CYS CA C 15 59.573 58.482 1.091 1
1 84 . 12 1 1 A 15 15 CYS HA H 15 4.562 4.522 0.040 1
1 85 . 12 1 1 A 15 15 CYS CB C 15 29.667 27.669 1.998 1
1 87 . 12 1 1 A 15 15 CYS C C 15 177.427 176.040 1.387 1
1 89 . 12 1 1 A 16 16 GLN N N 16 131.467 126.971 4.496 1
1 90 . 12 1 1 A 16 16 GLN H H 16 9.521 8.765 0.756 1
1 91 . 12 1 1 A 16 16 GLN CA C 16 57.973 58.175 -0.202 1
1 92 . 12 1 1 A 16 16 GLN HA H 16 4.175 4.057 0.118 1
1 93 . 12 1 1 A 16 16 GLN CB C 16 28.562 28.083 0.479 1
1 100 . 12 1 1 A 16 16 GLN C C 16 176.140 177.793 -1.653 1
1 103 . 12 1 1 A 17 17 GLU N N 17 120.316 118.799 1.517 1
1 104 . 12 1 1 A 17 17 GLU H H 17 8.682 8.194 0.488 1
1 105 . 12 1 1 A 17 17 GLU CA C 17 58.362 58.734 -0.372 1
1 106 . 12 1 1 A 17 17 GLU HA H 17 4.233 4.023 0.210 1
1 107 . 12 1 1 A 17 17 GLU CB C 17 29.552 29.177 0.375 1
1 111 . 12 1 1 A 17 17 GLU C C 17 177.303 178.284 -0.981 1
1 114 . 12 1 1 A 18 18 CYS N N 18 114.810 115.000 -0.190 1
1 115 . 12 1 1 A 18 18 CYS H H 18 8.042 7.992 0.050 1
1 116 . 12 1 1 A 18 18 CYS CA C 18 58.513 59.554 -1.041 1
1 117 . 12 1 1 A 18 18 CYS HA H 18 5.154 4.685 0.469 1
1 118 . 12 1 1 A 18 18 CYS CB C 18 32.408 30.085 2.323 1
1 120 . 12 1 1 A 18 18 CYS C C 18 176.323 175.530 0.793 1
1 122 . 12 1 1 A 19 19 GLY N N 19 113.476 110.129 3.347 1
1 123 . 12 1 1 A 19 19 GLY H H 19 8.183 8.511 -0.328 1
1 124 . 12 1 1 A 19 19 GLY CA C 19 46.149 45.476 0.673 1
1 125 . 12 1 1 A 19 19 GLY HA3 H 19 4.200 4.042 0.158 1
1 126 . 12 1 1 A 19 19 GLY C C 19 173.814 174.319 -0.505 1
1 127 . 12 1 1 A 19 19 GLY HA2 H 19 3.921 4.036 -0.115 1
1 128 . 12 1 1 A 20 20 LYS N N 20 122.183 120.375 1.808 1
1 129 . 12 1 1 A 20 20 LYS H H 20 7.830 7.733 0.097 1
1 130 . 12 1 1 A 20 20 LYS CA C 20 58.063 54.719 3.344 1
1 131 . 12 1 1 A 20 20 LYS HA H 20 3.979 4.489 -0.510 1
1 132 . 12 1 1 A 20 20 LYS CB C 20 34.034 34.142 -0.108 1
1 140 . 12 1 1 A 20 20 LYS C C 20 174.133 175.378 -1.245 1
1 145 . 12 1 1 A 21 21 ILE N N 21 120.927 127.790 -6.863 1
1 146 . 12 1 1 A 21 21 ILE H H 21 7.770 8.473 -0.703 1
1 147 . 12 1 1 A 21 21 ILE CA C 21 60.180 61.109 -0.929 1
1 148 . 12 1 1 A 21 21 ILE HA H 21 4.452 4.146 0.306 1
1 149 . 12 1 1 A 21 21 ILE CB C 21 39.694 37.988 1.706 1
1 161 . 12 1 1 A 21 21 ILE C C 21 175.461 175.026 0.435 1
1 163 . 12 1 1 A 22 22 PHE N N 22 123.258 124.240 -0.982 1
1 164 . 12 1 1 A 22 22 PHE H H 22 8.648 8.891 -0.243 1
1 165 . 12 1 1 A 22 22 PHE CA C 22 56.828 56.319 0.509 1
1 166 . 12 1 1 A 22 22 PHE HA H 22 4.710 4.915 -0.205 1
1 167 . 12 1 1 A 22 22 PHE CB C 22 43.452 42.268 1.184 1
1 179 . 12 1 1 A 22 22 PHE C C 22 176.151 175.666 0.485 1
1 181 . 12 1 1 A 23 23 ARG N N 23 119.153 126.180 -7.027 1
1 182 . 12 1 1 A 23 23 ARG H H 23 9.094 8.936 0.158 1
1 183 . 12 1 1 A 23 23 ARG CA C 23 57.288 59.729 -2.441 1
1 184 . 12 1 1 A 23 23 ARG HA H 23 4.241 3.966 0.275 1
1 185 . 12 1 1 A 23 23 ARG CB C 23 30.571 30.415 0.156 1
1 191 . 12 1 1 A 23 23 ARG C C 23 174.928 175.912 -0.984 1
1 195 . 12 1 1 A 24 24 HIS N N 24 113.877 113.726 0.151 1
1 196 . 12 1 1 A 24 24 HIS H H 24 7.141 7.487 -0.346 1
1 197 . 12 1 1 A 24 24 HIS CA C 24 56.129 53.693 2.436 1
1 198 . 12 1 1 A 24 24 HIS HA H 24 4.863 4.891 -0.028 1
1 199 . 12 1 1 A 24 24 HIS CB C 24 34.501 32.165 2.336 1
1 205 . 12 1 1 A 24 24 HIS C C 24 176.303 176.111 0.192 1
1 207 . 12 1 1 A 25 25 SER CA C 25 61.779 62.498 -0.719 1
1 208 . 12 1 1 A 25 25 SER HA H 25 4.060 3.978 0.082 1
1 209 . 12 1 1 A 25 25 SER CB C 25 62.462 62.822 -0.360 1
1 212 . 12 1 1 A 26 26 SER N N 26 119.893 116.604 3.289 1
1 213 . 12 1 1 A 26 26 SER H H 26 9.650 8.261 1.389 1
1 214 . 12 1 1 A 26 26 SER CA C 26 61.866 62.565 -0.699 1
1 215 . 12 1 1 A 26 26 SER HA H 26 3.950 4.143 -0.193 1
1 216 . 12 1 1 A 26 26 SER CB C 26 61.788 62.768 -0.980 1
1 218 . 12 1 1 A 26 26 SER C C 26 176.964 176.543 0.421 1
1 220 . 12 1 1 A 27 27 LEU N N 27 121.674 120.662 1.012 1
1 221 . 12 1 1 A 27 27 LEU H H 27 7.141 7.960 -0.819 1
1 222 . 12 1 1 A 27 27 LEU CA C 27 56.669 58.015 -1.346 1
1 223 . 12 1 1 A 27 27 LEU HA H 27 4.170 3.809 0.361 1
1 224 . 12 1 1 A 27 27 LEU CB C 27 41.962 41.516 0.446 1
1 236 . 12 1 1 A 27 27 LEU C C 27 179.312 179.044 0.268 1
1 238 . 12 1 1 A 28 28 LEU N N 28 121.976 119.364 2.612 1
1 239 . 12 1 1 A 28 28 LEU H H 28 7.075 7.933 -0.858 1
1 240 . 12 1 1 A 28 28 LEU CA C 28 57.616 57.381 0.235 1
1 241 . 12 1 1 A 28 28 LEU HA H 28 3.216 2.748 0.468 1
1 242 . 12 1 1 A 28 28 LEU CB C 28 40.475 41.420 -0.945 1
1 254 . 12 1 1 A 28 28 LEU C C 28 177.651 178.449 -0.798 1
1 256 . 12 1 1 A 29 29 ILE N N 29 119.789 119.783 0.006 1
1 257 . 12 1 1 A 29 29 ILE H H 29 7.956 8.434 -0.478 1
1 258 . 12 1 1 A 29 29 ILE CA C 29 64.818 65.072 -0.254 1
1 259 . 12 1 1 A 29 29 ILE HA H 29 3.770 3.511 0.259 1
1 260 . 12 1 1 A 29 29 ILE CB C 29 37.729 37.651 0.078 1
1 272 . 12 1 1 A 29 29 ILE C C 29 179.269 178.401 0.868 1
1 274 . 12 1 1 A 30 30 GLU N N 30 119.089 120.693 -1.604 1
1 275 . 12 1 1 A 30 30 GLU H H 30 7.425 8.176 -0.751 1
1 276 . 12 1 1 A 30 30 GLU CA C 30 59.239 58.855 0.384 1
1 277 . 12 1 1 A 30 30 GLU HA H 30 4.030 4.068 -0.038 1
1 278 . 12 1 1 A 30 30 GLU CB C 30 29.976 29.165 0.811 1
1 282 . 12 1 1 A 30 30 GLU C C 30 178.534 178.728 -0.194 1
1 285 . 12 1 1 A 31 31 HIS N N 31 118.679 121.436 -2.757 1
1 286 . 12 1 1 A 31 31 HIS H H 31 7.493 7.678 -0.185 1
1 287 . 12 1 1 A 31 31 HIS CA C 31 58.956 59.098 -0.142 1
1 288 . 12 1 1 A 31 31 HIS HA H 31 4.224 4.147 0.077 1
1 289 . 12 1 1 A 31 31 HIS CB C 31 28.605 29.669 -1.064 1
1 295 . 12 1 1 A 31 31 HIS C C 31 176.314 177.190 -0.876 1
1 297 . 12 1 1 A 32 32 GLN N N 32 116.911 117.770 -0.859 1
1 298 . 12 1 1 A 32 32 GLN H H 32 8.454 8.650 -0.196 1
1 299 . 12 1 1 A 32 32 GLN CA C 32 59.194 59.097 0.097 1
1 300 . 12 1 1 A 32 32 GLN HA H 32 3.772 3.937 -0.165 1
1 301 . 12 1 1 A 32 32 GLN CB C 32 28.057 28.148 -0.091 1
1 308 . 12 1 1 A 32 32 GLN C C 32 178.135 178.008 0.127 1
1 311 . 12 1 1 A 33 33 ALA N N 33 121.580 121.555 0.025 1
1 312 . 12 1 1 A 33 33 ALA H H 33 7.279 7.966 -0.687 1
1 313 . 12 1 1 A 33 33 ALA CA C 33 54.593 55.050 -0.457 1
1 314 . 12 1 1 A 33 33 ALA HA H 33 4.163 4.053 0.110 1
1 315 . 12 1 1 A 33 33 ALA CB C 33 18.182 18.502 -0.320 1
1 319 . 12 1 1 A 33 33 ALA C C 33 179.581 179.702 -0.121 1
1 320 . 12 1 1 A 34 34 LEU N N 34 117.524 116.961 0.563 1
1 321 . 12 1 1 A 34 34 LEU H H 34 7.733 7.642 0.091 1
1 322 . 12 1 1 A 34 34 LEU CA C 34 56.653 57.941 -1.288 1
1 323 . 12 1 1 A 34 34 LEU HA H 34 4.058 3.900 0.158 1
1 324 . 12 1 1 A 34 34 LEU CB C 34 41.217 41.267 -0.050 1
1 336 . 12 1 1 A 34 34 LEU C C 34 179.011 178.638 0.373 1
1 338 . 12 1 1 A 35 35 HIS N N 35 115.390 118.576 -3.186 1
1 339 . 12 1 1 A 35 35 HIS H H 35 7.175 7.910 -0.735 1
1 340 . 12 1 1 A 35 35 HIS CA C 35 55.525 59.469 -3.944 1
1 341 . 12 1 1 A 35 35 HIS HA H 35 4.738 4.316 0.422 1
1 342 . 12 1 1 A 35 35 HIS CB C 35 28.715 29.629 -0.914 1
1 348 . 12 1 1 A 35 35 HIS C C 35 175.385 175.571 -0.186 1
1 350 . 12 1 1 A 36 36 ALA N N 36 122.651 120.219 2.432 1
1 351 . 12 1 1 A 36 36 ALA H H 36 7.634 7.811 -0.177 1
1 352 . 12 1 1 A 36 36 ALA CA C 36 53.281 51.002 2.279 1
1 353 . 12 1 1 A 36 36 ALA HA H 36 4.328 4.525 -0.197 1
1 354 . 12 1 1 A 36 36 ALA CB C 36 19.154 20.836 -1.682 1
1 358 . 12 1 1 A 36 36 ALA C C 36 178.273 177.315 0.958 1
1 359 . 12 1 1 A 37 37 GLY N N 37 107.266 107.051 0.215 1
1 360 . 12 1 1 A 37 37 GLY H H 37 8.163 8.609 -0.446 1
1 361 . 12 1 1 A 37 37 GLY CA C 37 45.358 45.520 -0.162 1
1 362 . 12 1 1 A 37 37 GLY HA3 H 37 3.964 4.102 -0.138 1
1 363 . 12 1 1 A 37 37 GLY C C 37 174.369 174.060 0.309 1
1 364 . 12 1 1 A 37 37 GLY HA2 H 37 4.027 4.100 -0.073 1
1 365 . 12 1 1 A 38 38 GLU N N 38 120.486 120.044 0.442 1
1 366 . 12 1 1 A 38 38 GLU H H 38 8.160 7.903 0.257 1
1 367 . 12 1 1 A 38 38 GLU CA C 38 56.658 54.875 1.783 1
1 368 . 12 1 1 A 38 38 GLU HA H 38 4.357 4.682 -0.325 1
1 369 . 12 1 1 A 38 38 GLU CB C 38 30.381 32.394 -2.013 1
1 373 . 12 1 1 A 38 38 GLU C C 38 176.730 175.076 1.654 1
1 376 . 12 1 1 A 39 39 SER N N 39 116.555 121.078 -4.523 1
1 377 . 12 1 1 A 39 39 SER H H 39 8.391 8.692 -0.301 1
1 378 . 12 1 1 A 39 39 SER CA C 39 58.397 57.958 0.439 1
1 379 . 12 1 1 A 39 39 SER HA H 39 4.515 4.778 -0.263 1
1 380 . 12 1 1 A 39 39 SER CB C 39 63.960 63.417 0.543 1
1 382 . 12 1 1 A 39 39 SER C C 39 174.602 173.697 0.905 1
1 384 . 12 1 1 A 40 40 GLY N N 40 110.681 113.777 -3.096 1
1 385 . 12 1 1 A 40 40 GLY H H 40 8.239 8.186 0.053 1
1 386 . 12 1 1 A 40 40 GLY CA C 40 44.666 45.182 -0.516 1
1 387 . 12 1 1 A 40 40 GLY HA3 H 40 4.087 4.210 -0.123 1
1 388 . 12 1 1 A 40 40 GLY C C 40 171.769 174.149 -2.380 1
1 389 . 12 1 1 A 40 40 GLY HA2 H 40 4.185 4.210 -0.025 1
1 390 . 12 1 1 A 41 41 PRO CA C 41 63.229 64.138 -0.909 1
1 391 . 12 1 1 A 41 41 PRO HA H 41 4.489 4.488 0.001 1
1 392 . 12 1 1 A 41 41 PRO CB C 41 32.192 31.829 0.363 1
1 398 . 12 1 1 A 41 41 PRO C C 41 177.375 176.303 1.072 1
1 402 . 12 1 1 A 42 42 SER N N 42 116.504 116.038 0.466 1
1 403 . 12 1 1 A 42 42 SER H H 42 8.544 7.904 0.640 1
1 404 . 12 1 1 A 42 42 SER CA C 42 58.364 60.647 -2.283 1
1 405 . 12 1 1 A 42 42 SER HA H 42 4.470 4.250 0.220 1
1 406 . 12 1 1 A 42 42 SER CB C 42 64.062 63.562 0.500 1
1 408 . 12 1 1 A 42 42 SER C C 42 174.704 174.280 0.424 1
1 410 . 12 1 1 A 43 43 SER N N 43 117.992 121.398 -3.406 1
1 411 . 12 1 1 A 43 43 SER H H 43 8.358 8.682 -0.324 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.366 45.863 -0.497 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.975 4.167 -0.192 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.840 173.015 0.825 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 3.975 4.165 -0.190 1
1 5 . 13 1 1 A 8 8 ALA N N 8 123.813 125.254 -1.441 1
1 6 . 13 1 1 A 8 8 ALA H H 8 8.108 8.650 -0.542 1
1 7 . 13 1 1 A 8 8 ALA CA C 8 52.400 53.138 -0.738 1
1 8 . 13 1 1 A 8 8 ALA HA H 8 4.317 4.065 0.252 1
1 9 . 13 1 1 A 8 8 ALA CB C 8 19.299 17.567 1.732 1
1 13 . 13 1 1 A 8 8 ALA C C 8 177.523 177.273 0.250 1
1 14 . 13 1 1 A 9 9 ALA N N 9 123.426 118.173 5.253 1
1 15 . 13 1 1 A 9 9 ALA H H 9 8.272 8.076 0.196 1
1 16 . 13 1 1 A 9 9 ALA CA C 9 52.433 54.328 -1.895 1
1 17 . 13 1 1 A 9 9 ALA HA H 9 4.313 4.277 0.036 1
1 18 . 13 1 1 A 9 9 ALA CB C 9 19.254 19.764 -0.510 1
1 22 . 13 1 1 A 9 9 ALA C C 9 177.795 177.101 0.694 1
1 23 . 13 1 1 A 10 10 LYS N N 10 120.933 116.357 4.576 1
1 24 . 13 1 1 A 10 10 LYS H H 10 8.368 7.680 0.688 1
1 25 . 13 1 1 A 10 10 LYS CA C 10 56.323 55.335 0.988 1
1 26 . 13 1 1 A 10 10 LYS HA H 10 4.427 4.646 -0.219 1
1 27 . 13 1 1 A 10 10 LYS CB C 10 33.105 35.547 -2.442 1
1 35 . 13 1 1 A 10 10 LYS C C 10 176.978 174.698 2.280 1
1 40 . 13 1 1 A 11 11 THR N N 11 114.437 115.744 -1.307 1
1 41 . 13 1 1 A 11 11 THR H H 11 8.308 8.536 -0.228 1
1 42 . 13 1 1 A 11 11 THR CA C 11 61.617 62.388 -0.771 1
1 43 . 13 1 1 A 11 11 THR HA H 11 4.472 4.311 0.161 1
1 44 . 13 1 1 A 11 11 THR CB C 11 69.821 69.007 0.814 1
1 50 . 13 1 1 A 11 11 THR C C 11 174.562 174.854 -0.292 1
1 51 . 13 1 1 A 12 12 THR N N 12 114.598 120.937 -6.339 1
1 52 . 13 1 1 A 12 12 THR H H 12 7.915 8.888 -0.973 1
1 53 . 13 1 1 A 12 12 THR CA C 12 61.451 61.115 0.336 1
1 54 . 13 1 1 A 12 12 THR HA H 12 4.492 4.980 -0.488 1
1 55 . 13 1 1 A 12 12 THR CB C 12 70.427 72.836 -2.409 1
1 61 . 13 1 1 A 12 12 THR C C 12 174.236 173.982 0.254 1
1 62 . 13 1 1 A 13 13 SER N N 13 117.902 121.440 -3.538 1
1 63 . 13 1 1 A 13 13 SER H H 13 8.580 8.628 -0.048 1
1 64 . 13 1 1 A 13 13 SER CA C 13 58.138 57.973 0.165 1
1 65 . 13 1 1 A 13 13 SER HA H 13 4.684 4.597 0.087 1
1 66 . 13 1 1 A 13 13 SER CB C 13 65.065 61.456 3.609 1
1 68 . 13 1 1 A 13 13 SER C C 13 172.108 173.739 -1.631 1
1 70 . 13 1 1 A 14 14 GLU N N 14 124.193 124.293 -0.100 1
1 71 . 13 1 1 A 14 14 GLU H H 14 8.386 9.008 -0.622 1
1 72 . 13 1 1 A 14 14 GLU CA C 14 54.181 56.725 -2.544 1
1 73 . 13 1 1 A 14 14 GLU HA H 14 5.048 4.662 0.386 1
1 74 . 13 1 1 A 14 14 GLU CB C 14 33.085 30.970 2.115 1
1 78 . 13 1 1 A 14 14 GLU C C 14 175.059 176.104 -1.045 1
1 81 . 13 1 1 A 15 15 CYS N N 15 126.927 125.096 1.831 1
1 82 . 13 1 1 A 15 15 CYS H H 15 9.263 8.905 0.358 1
1 83 . 13 1 1 A 15 15 CYS CA C 15 59.573 58.454 1.119 1
1 84 . 13 1 1 A 15 15 CYS HA H 15 4.562 4.559 0.003 1
1 85 . 13 1 1 A 15 15 CYS CB C 15 29.667 27.232 2.435 1
1 87 . 13 1 1 A 15 15 CYS C C 15 177.427 175.591 1.836 1
1 89 . 13 1 1 A 16 16 GLN N N 16 131.467 126.384 5.083 1
1 90 . 13 1 1 A 16 16 GLN H H 16 9.521 8.443 1.078 1
1 91 . 13 1 1 A 16 16 GLN CA C 16 57.973 58.322 -0.349 1
1 92 . 13 1 1 A 16 16 GLN HA H 16 4.175 4.049 0.126 1
1 93 . 13 1 1 A 16 16 GLN CB C 16 28.562 27.944 0.618 1
1 100 . 13 1 1 A 16 16 GLN C C 16 176.140 177.800 -1.660 1
1 103 . 13 1 1 A 17 17 GLU N N 17 120.316 118.830 1.486 1
1 104 . 13 1 1 A 17 17 GLU H H 17 8.682 8.407 0.275 1
1 105 . 13 1 1 A 17 17 GLU CA C 17 58.362 58.743 -0.381 1
1 106 . 13 1 1 A 17 17 GLU HA H 17 4.233 4.041 0.192 1
1 107 . 13 1 1 A 17 17 GLU CB C 17 29.552 29.120 0.432 1
1 111 . 13 1 1 A 17 17 GLU C C 17 177.303 178.190 -0.887 1
1 114 . 13 1 1 A 18 18 CYS N N 18 114.810 115.008 -0.198 1
1 115 . 13 1 1 A 18 18 CYS H H 18 8.042 7.592 0.450 1
1 116 . 13 1 1 A 18 18 CYS CA C 18 58.513 59.537 -1.024 1
1 117 . 13 1 1 A 18 18 CYS HA H 18 5.154 4.623 0.531 1
1 118 . 13 1 1 A 18 18 CYS CB C 18 32.408 29.817 2.591 1
1 120 . 13 1 1 A 18 18 CYS C C 18 176.323 175.331 0.992 1
1 122 . 13 1 1 A 19 19 GLY N N 19 113.476 110.216 3.260 1
1 123 . 13 1 1 A 19 19 GLY H H 19 8.183 8.592 -0.409 1
1 124 . 13 1 1 A 19 19 GLY CA C 19 46.149 45.333 0.816 1
1 125 . 13 1 1 A 19 19 GLY HA3 H 19 4.200 4.038 0.162 1
1 126 . 13 1 1 A 19 19 GLY C C 19 173.814 174.220 -0.406 1
1 127 . 13 1 1 A 19 19 GLY HA2 H 19 3.921 4.033 -0.112 1
1 128 . 13 1 1 A 20 20 LYS N N 20 122.183 120.560 1.623 1
1 129 . 13 1 1 A 20 20 LYS H H 20 7.830 7.724 0.106 1
1 130 . 13 1 1 A 20 20 LYS CA C 20 58.063 54.630 3.433 1
1 131 . 13 1 1 A 20 20 LYS HA H 20 3.979 4.488 -0.509 1
1 132 . 13 1 1 A 20 20 LYS CB C 20 34.034 33.890 0.144 1
1 140 . 13 1 1 A 20 20 LYS C C 20 174.133 175.110 -0.977 1
1 145 . 13 1 1 A 21 21 ILE N N 21 120.927 128.087 -7.160 1
1 146 . 13 1 1 A 21 21 ILE H H 21 7.770 8.493 -0.723 1
1 147 . 13 1 1 A 21 21 ILE CA C 21 60.180 60.908 -0.728 1
1 148 . 13 1 1 A 21 21 ILE HA H 21 4.452 4.186 0.266 1
1 149 . 13 1 1 A 21 21 ILE CB C 21 39.694 37.886 1.808 1
1 161 . 13 1 1 A 21 21 ILE C C 21 175.461 175.104 0.357 1
1 163 . 13 1 1 A 22 22 PHE N N 22 123.258 124.920 -1.662 1
1 164 . 13 1 1 A 22 22 PHE H H 22 8.648 8.715 -0.067 1
1 165 . 13 1 1 A 22 22 PHE CA C 22 56.828 56.364 0.464 1
1 166 . 13 1 1 A 22 22 PHE HA H 22 4.710 4.879 -0.169 1
1 167 . 13 1 1 A 22 22 PHE CB C 22 43.452 41.868 1.584 1
1 179 . 13 1 1 A 22 22 PHE C C 22 176.151 175.762 0.389 1
1 181 . 13 1 1 A 23 23 ARG N N 23 119.153 125.312 -6.159 1
1 182 . 13 1 1 A 23 23 ARG H H 23 9.094 8.933 0.161 1
1 183 . 13 1 1 A 23 23 ARG CA C 23 57.288 59.740 -2.452 1
1 184 . 13 1 1 A 23 23 ARG HA H 23 4.241 3.976 0.265 1
1 185 . 13 1 1 A 23 23 ARG CB C 23 30.571 30.527 0.044 1
1 191 . 13 1 1 A 23 23 ARG C C 23 174.928 175.966 -1.038 1
1 195 . 13 1 1 A 24 24 HIS N N 24 113.877 113.426 0.451 1
1 196 . 13 1 1 A 24 24 HIS H H 24 7.141 7.412 -0.271 1
1 197 . 13 1 1 A 24 24 HIS CA C 24 56.129 53.608 2.521 1
1 198 . 13 1 1 A 24 24 HIS HA H 24 4.863 4.914 -0.051 1
1 199 . 13 1 1 A 24 24 HIS CB C 24 34.501 32.514 1.987 1
1 205 . 13 1 1 A 24 24 HIS C C 24 176.303 175.945 0.358 1
1 207 . 13 1 1 A 25 25 SER CA C 25 61.779 62.450 -0.671 1
1 208 . 13 1 1 A 25 25 SER HA H 25 4.060 3.983 0.077 1
1 209 . 13 1 1 A 25 25 SER CB C 25 62.462 63.014 -0.552 1
1 212 . 13 1 1 A 26 26 SER N N 26 119.893 116.846 3.047 1
1 213 . 13 1 1 A 26 26 SER H H 26 9.650 8.311 1.339 1
1 214 . 13 1 1 A 26 26 SER CA C 26 61.866 62.572 -0.706 1
1 215 . 13 1 1 A 26 26 SER HA H 26 3.950 4.148 -0.198 1
1 216 . 13 1 1 A 26 26 SER CB C 26 61.788 62.734 -0.946 1
1 218 . 13 1 1 A 26 26 SER C C 26 176.964 176.626 0.338 1
1 220 . 13 1 1 A 27 27 LEU N N 27 121.674 120.466 1.208 1
1 221 . 13 1 1 A 27 27 LEU H H 27 7.141 7.732 -0.591 1
1 222 . 13 1 1 A 27 27 LEU CA C 27 56.669 57.951 -1.282 1
1 223 . 13 1 1 A 27 27 LEU HA H 27 4.170 3.798 0.372 1
1 224 . 13 1 1 A 27 27 LEU CB C 27 41.962 41.479 0.483 1
1 236 . 13 1 1 A 27 27 LEU C C 27 179.312 178.969 0.343 1
1 238 . 13 1 1 A 28 28 LEU N N 28 121.976 119.205 2.771 1
1 239 . 13 1 1 A 28 28 LEU H H 28 7.075 7.825 -0.750 1
1 240 . 13 1 1 A 28 28 LEU CA C 28 57.616 57.413 0.203 1
1 241 . 13 1 1 A 28 28 LEU HA H 28 3.216 2.655 0.561 1
1 242 . 13 1 1 A 28 28 LEU CB C 28 40.475 41.381 -0.906 1
1 254 . 13 1 1 A 28 28 LEU C C 28 177.651 178.494 -0.843 1
1 256 . 13 1 1 A 29 29 ILE N N 29 119.789 119.419 0.370 1
1 257 . 13 1 1 A 29 29 ILE H H 29 7.956 8.440 -0.484 1
1 258 . 13 1 1 A 29 29 ILE CA C 29 64.818 65.098 -0.280 1
1 259 . 13 1 1 A 29 29 ILE HA H 29 3.770 3.493 0.277 1
1 260 . 13 1 1 A 29 29 ILE CB C 29 37.729 37.675 0.054 1
1 272 . 13 1 1 A 29 29 ILE C C 29 179.269 178.299 0.970 1
1 274 . 13 1 1 A 30 30 GLU N N 30 119.089 120.223 -1.134 1
1 275 . 13 1 1 A 30 30 GLU H H 30 7.425 7.970 -0.545 1
1 276 . 13 1 1 A 30 30 GLU CA C 30 59.239 59.309 -0.070 1
1 277 . 13 1 1 A 30 30 GLU HA H 30 4.030 3.991 0.039 1
1 278 . 13 1 1 A 30 30 GLU CB C 30 29.976 29.229 0.747 1
1 282 . 13 1 1 A 30 30 GLU C C 30 178.534 178.600 -0.066 1
1 285 . 13 1 1 A 31 31 HIS N N 31 118.679 120.960 -2.281 1
1 286 . 13 1 1 A 31 31 HIS H H 31 7.493 7.675 -0.182 1
1 287 . 13 1 1 A 31 31 HIS CA C 31 58.956 59.256 -0.300 1
1 288 . 13 1 1 A 31 31 HIS HA H 31 4.224 4.140 0.084 1
1 289 . 13 1 1 A 31 31 HIS CB C 31 28.605 29.604 -0.999 1
1 295 . 13 1 1 A 31 31 HIS C C 31 176.314 177.264 -0.950 1
1 297 . 13 1 1 A 32 32 GLN N N 32 116.911 117.707 -0.796 1
1 298 . 13 1 1 A 32 32 GLN H H 32 8.454 8.680 -0.226 1
1 299 . 13 1 1 A 32 32 GLN CA C 32 59.194 59.157 0.037 1
1 300 . 13 1 1 A 32 32 GLN HA H 32 3.772 3.903 -0.131 1
1 301 . 13 1 1 A 32 32 GLN CB C 32 28.057 28.266 -0.209 1
1 308 . 13 1 1 A 32 32 GLN C C 32 178.135 177.993 0.142 1
1 311 . 13 1 1 A 33 33 ALA N N 33 121.580 121.783 -0.203 1
1 312 . 13 1 1 A 33 33 ALA H H 33 7.279 7.568 -0.289 1
1 313 . 13 1 1 A 33 33 ALA CA C 33 54.593 54.954 -0.361 1
1 314 . 13 1 1 A 33 33 ALA HA H 33 4.163 4.046 0.117 1
1 315 . 13 1 1 A 33 33 ALA CB C 33 18.182 18.489 -0.307 1
1 319 . 13 1 1 A 33 33 ALA C C 33 179.581 179.926 -0.345 1
1 320 . 13 1 1 A 34 34 LEU N N 34 117.524 117.074 0.450 1
1 321 . 13 1 1 A 34 34 LEU H H 34 7.733 7.774 -0.041 1
1 322 . 13 1 1 A 34 34 LEU CA C 34 56.653 57.861 -1.208 1
1 323 . 13 1 1 A 34 34 LEU HA H 34 4.058 3.873 0.185 1
1 324 . 13 1 1 A 34 34 LEU CB C 34 41.217 41.089 0.128 1
1 336 . 13 1 1 A 34 34 LEU C C 34 179.011 178.899 0.112 1
1 338 . 13 1 1 A 35 35 HIS N N 35 115.390 117.933 -2.543 1
1 339 . 13 1 1 A 35 35 HIS H H 35 7.175 8.014 -0.839 1
1 340 . 13 1 1 A 35 35 HIS CA C 35 55.525 59.197 -3.672 1
1 341 . 13 1 1 A 35 35 HIS HA H 35 4.738 4.351 0.387 1
1 342 . 13 1 1 A 35 35 HIS CB C 35 28.715 29.674 -0.959 1
1 348 . 13 1 1 A 35 35 HIS C C 35 175.385 176.486 -1.101 1
1 350 . 13 1 1 A 36 36 ALA N N 36 122.651 119.850 2.801 1
1 351 . 13 1 1 A 36 36 ALA H H 36 7.634 7.454 0.180 1
1 352 . 13 1 1 A 36 36 ALA CA C 36 53.281 54.015 -0.734 1
1 353 . 13 1 1 A 36 36 ALA HA H 36 4.328 3.939 0.389 1
1 354 . 13 1 1 A 36 36 ALA CB C 36 19.154 18.482 0.672 1
1 358 . 13 1 1 A 36 36 ALA C C 36 178.273 178.020 0.253 1
1 359 . 13 1 1 A 37 37 GLY N N 37 107.266 110.480 -3.214 1
1 360 . 13 1 1 A 37 37 GLY H H 37 8.163 8.540 -0.377 1
1 361 . 13 1 1 A 37 37 GLY CA C 37 45.358 45.845 -0.487 1
1 362 . 13 1 1 A 37 37 GLY HA3 H 37 3.964 4.161 -0.197 1
1 363 . 13 1 1 A 37 37 GLY C C 37 174.369 173.101 1.268 1
1 364 . 13 1 1 A 37 37 GLY HA2 H 37 4.027 4.159 -0.132 1
1 365 . 13 1 1 A 38 38 GLU N N 38 120.486 125.379 -4.893 1
1 366 . 13 1 1 A 38 38 GLU H H 38 8.160 8.471 -0.311 1
1 367 . 13 1 1 A 38 38 GLU CA C 38 56.658 54.817 1.841 1
1 368 . 13 1 1 A 38 38 GLU HA H 38 4.357 4.698 -0.341 1
1 369 . 13 1 1 A 38 38 GLU CB C 38 30.381 29.060 1.321 1
1 373 . 13 1 1 A 38 38 GLU C C 38 176.730 176.703 0.027 1
1 376 . 13 1 1 A 39 39 SER N N 39 116.555 118.087 -1.532 1
1 377 . 13 1 1 A 39 39 SER H H 39 8.391 8.809 -0.418 1
1 378 . 13 1 1 A 39 39 SER CA C 39 58.397 59.342 -0.945 1
1 379 . 13 1 1 A 39 39 SER HA H 39 4.515 4.471 0.044 1
1 380 . 13 1 1 A 39 39 SER CB C 39 63.960 64.023 -0.063 1
1 382 . 13 1 1 A 39 39 SER C C 39 174.602 174.363 0.239 1
1 384 . 13 1 1 A 40 40 GLY N N 40 110.681 107.541 3.140 1
1 385 . 13 1 1 A 40 40 GLY H H 40 8.239 7.311 0.928 1
1 386 . 13 1 1 A 40 40 GLY CA C 40 44.666 45.081 -0.415 1
1 387 . 13 1 1 A 40 40 GLY HA3 H 40 4.087 4.079 0.008 1
1 388 . 13 1 1 A 40 40 GLY C C 40 171.769 174.050 -2.281 1
1 389 . 13 1 1 A 40 40 GLY HA2 H 40 4.185 4.077 0.108 1
1 390 . 13 1 1 A 41 41 PRO CA C 41 63.229 63.893 -0.664 1
1 391 . 13 1 1 A 41 41 PRO HA H 41 4.489 4.541 -0.052 1
1 392 . 13 1 1 A 41 41 PRO CB C 41 32.192 31.751 0.441 1
1 398 . 13 1 1 A 41 41 PRO C C 41 177.375 176.375 1.000 1
1 402 . 13 1 1 A 42 42 SER N N 42 116.504 116.155 0.349 1
1 403 . 13 1 1 A 42 42 SER H H 42 8.544 7.971 0.573 1
1 404 . 13 1 1 A 42 42 SER CA C 42 58.364 57.684 0.680 1
1 405 . 13 1 1 A 42 42 SER HA H 42 4.470 4.862 -0.392 1
1 406 . 13 1 1 A 42 42 SER CB C 42 64.062 65.020 -0.958 1
1 408 . 13 1 1 A 42 42 SER C C 42 174.704 172.991 1.713 1
1 410 . 13 1 1 A 43 43 SER N N 43 117.992 120.284 -2.292 1
1 411 . 13 1 1 A 43 43 SER H H 43 8.358 8.757 -0.399 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.366 45.490 -0.124 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.975 4.021 -0.046 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.840 174.733 -0.893 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 3.975 4.009 -0.034 1
1 5 . 14 1 1 A 8 8 ALA N N 8 123.813 123.311 0.502 1
1 6 . 14 1 1 A 8 8 ALA H H 8 8.108 8.620 -0.512 1
1 7 . 14 1 1 A 8 8 ALA CA C 8 52.400 52.994 -0.594 1
1 8 . 14 1 1 A 8 8 ALA HA H 8 4.317 4.446 -0.129 1
1 9 . 14 1 1 A 8 8 ALA CB C 8 19.299 20.279 -0.980 1
1 13 . 14 1 1 A 8 8 ALA C C 8 177.523 177.462 0.061 1
1 14 . 14 1 1 A 9 9 ALA N N 9 123.426 119.672 3.754 1
1 15 . 14 1 1 A 9 9 ALA H H 9 8.272 7.453 0.819 1
1 16 . 14 1 1 A 9 9 ALA CA C 9 52.433 53.175 -0.742 1
1 17 . 14 1 1 A 9 9 ALA HA H 9 4.313 4.139 0.174 1
1 18 . 14 1 1 A 9 9 ALA CB C 9 19.254 19.180 0.074 1
1 22 . 14 1 1 A 9 9 ALA C C 9 177.795 177.449 0.346 1
1 23 . 14 1 1 A 10 10 LYS N N 10 120.933 125.127 -4.194 1
1 24 . 14 1 1 A 10 10 LYS H H 10 8.368 8.768 -0.400 1
1 25 . 14 1 1 A 10 10 LYS CA C 10 56.323 59.204 -2.881 1
1 26 . 14 1 1 A 10 10 LYS HA H 10 4.427 3.965 0.462 1
1 27 . 14 1 1 A 10 10 LYS CB C 10 33.105 32.153 0.952 1
1 35 . 14 1 1 A 10 10 LYS C C 10 176.978 177.863 -0.885 1
1 40 . 14 1 1 A 11 11 THR N N 11 114.437 114.070 0.367 1
1 41 . 14 1 1 A 11 11 THR H H 11 8.308 7.918 0.390 1
1 42 . 14 1 1 A 11 11 THR CA C 11 61.617 64.889 -3.272 1
1 43 . 14 1 1 A 11 11 THR HA H 11 4.472 4.062 0.410 1
1 44 . 14 1 1 A 11 11 THR CB C 11 69.821 68.880 0.941 1
1 50 . 14 1 1 A 11 11 THR C C 11 174.562 175.222 -0.660 1
1 51 . 14 1 1 A 12 12 THR N N 12 114.598 116.343 -1.745 1
1 52 . 14 1 1 A 12 12 THR H H 12 7.915 7.671 0.244 1
1 53 . 14 1 1 A 12 12 THR CA C 12 61.451 62.837 -1.386 1
1 54 . 14 1 1 A 12 12 THR HA H 12 4.492 4.383 0.109 1
1 55 . 14 1 1 A 12 12 THR CB C 12 70.427 70.045 0.382 1
1 61 . 14 1 1 A 12 12 THR C C 12 174.236 174.935 -0.699 1
1 62 . 14 1 1 A 13 13 SER N N 13 117.902 121.832 -3.930 1
1 63 . 14 1 1 A 13 13 SER H H 13 8.580 8.776 -0.196 1
1 64 . 14 1 1 A 13 13 SER CA C 13 58.138 57.944 0.194 1
1 65 . 14 1 1 A 13 13 SER HA H 13 4.684 4.589 0.095 1
1 66 . 14 1 1 A 13 13 SER CB C 13 65.065 61.407 3.658 1
1 68 . 14 1 1 A 13 13 SER C C 13 172.108 173.616 -1.508 1
1 70 . 14 1 1 A 14 14 GLU N N 14 124.193 123.839 0.354 1
1 71 . 14 1 1 A 14 14 GLU H H 14 8.386 8.773 -0.387 1
1 72 . 14 1 1 A 14 14 GLU CA C 14 54.181 56.736 -2.555 1
1 73 . 14 1 1 A 14 14 GLU HA H 14 5.048 4.769 0.279 1
1 74 . 14 1 1 A 14 14 GLU CB C 14 33.085 30.818 2.267 1
1 78 . 14 1 1 A 14 14 GLU C C 14 175.059 176.270 -1.211 1
1 81 . 14 1 1 A 15 15 CYS N N 15 126.927 125.072 1.855 1
1 82 . 14 1 1 A 15 15 CYS H H 15 9.263 8.903 0.360 1
1 83 . 14 1 1 A 15 15 CYS CA C 15 59.573 58.767 0.806 1
1 84 . 14 1 1 A 15 15 CYS HA H 15 4.562 4.498 0.064 1
1 85 . 14 1 1 A 15 15 CYS CB C 15 29.667 27.816 1.851 1
1 87 . 14 1 1 A 15 15 CYS C C 15 177.427 176.049 1.378 1
1 89 . 14 1 1 A 16 16 GLN N N 16 131.467 126.983 4.484 1
1 90 . 14 1 1 A 16 16 GLN H H 16 9.521 8.787 0.734 1
1 91 . 14 1 1 A 16 16 GLN CA C 16 57.973 58.194 -0.221 1
1 92 . 14 1 1 A 16 16 GLN HA H 16 4.175 4.063 0.112 1
1 93 . 14 1 1 A 16 16 GLN CB C 16 28.562 28.101 0.461 1
1 100 . 14 1 1 A 16 16 GLN C C 16 176.140 177.964 -1.824 1
1 103 . 14 1 1 A 17 17 GLU N N 17 120.316 118.624 1.692 1
1 104 . 14 1 1 A 17 17 GLU H H 17 8.682 8.147 0.535 1
1 105 . 14 1 1 A 17 17 GLU CA C 17 58.362 58.851 -0.489 1
1 106 . 14 1 1 A 17 17 GLU HA H 17 4.233 4.008 0.225 1
1 107 . 14 1 1 A 17 17 GLU CB C 17 29.552 29.548 0.004 1
1 111 . 14 1 1 A 17 17 GLU C C 17 177.303 177.981 -0.678 1
1 114 . 14 1 1 A 18 18 CYS N N 18 114.810 115.196 -0.386 1
1 115 . 14 1 1 A 18 18 CYS H H 18 8.042 7.998 0.044 1
1 116 . 14 1 1 A 18 18 CYS CA C 18 58.513 59.554 -1.041 1
1 117 . 14 1 1 A 18 18 CYS HA H 18 5.154 4.653 0.501 1
1 118 . 14 1 1 A 18 18 CYS CB C 18 32.408 29.980 2.428 1
1 120 . 14 1 1 A 18 18 CYS C C 18 176.323 175.549 0.774 1
1 122 . 14 1 1 A 19 19 GLY N N 19 113.476 110.118 3.358 1
1 123 . 14 1 1 A 19 19 GLY H H 19 8.183 8.498 -0.315 1
1 124 . 14 1 1 A 19 19 GLY CA C 19 46.149 45.474 0.675 1
1 125 . 14 1 1 A 19 19 GLY HA3 H 19 4.200 4.044 0.156 1
1 126 . 14 1 1 A 19 19 GLY C C 19 173.814 174.316 -0.502 1
1 127 . 14 1 1 A 19 19 GLY HA2 H 19 3.921 4.038 -0.117 1
1 128 . 14 1 1 A 20 20 LYS N N 20 122.183 119.947 2.236 1
1 129 . 14 1 1 A 20 20 LYS H H 20 7.830 7.700 0.130 1
1 130 . 14 1 1 A 20 20 LYS CA C 20 58.063 54.546 3.517 1
1 131 . 14 1 1 A 20 20 LYS HA H 20 3.979 4.499 -0.520 1
1 132 . 14 1 1 A 20 20 LYS CB C 20 34.034 34.223 -0.189 1
1 140 . 14 1 1 A 20 20 LYS C C 20 174.133 175.298 -1.165 1
1 145 . 14 1 1 A 21 21 ILE N N 21 120.927 126.741 -5.814 1
1 146 . 14 1 1 A 21 21 ILE H H 21 7.770 8.541 -0.771 1
1 147 . 14 1 1 A 21 21 ILE CA C 21 60.180 61.258 -1.078 1
1 148 . 14 1 1 A 21 21 ILE HA H 21 4.452 4.188 0.264 1
1 149 . 14 1 1 A 21 21 ILE CB C 21 39.694 38.089 1.605 1
1 161 . 14 1 1 A 21 21 ILE C C 21 175.461 175.091 0.370 1
1 163 . 14 1 1 A 22 22 PHE N N 22 123.258 124.810 -1.552 1
1 164 . 14 1 1 A 22 22 PHE H H 22 8.648 8.720 -0.072 1
1 165 . 14 1 1 A 22 22 PHE CA C 22 56.828 56.425 0.403 1
1 166 . 14 1 1 A 22 22 PHE HA H 22 4.710 4.849 -0.139 1
1 167 . 14 1 1 A 22 22 PHE CB C 22 43.452 41.847 1.605 1
1 179 . 14 1 1 A 22 22 PHE C C 22 176.151 175.678 0.473 1
1 181 . 14 1 1 A 23 23 ARG N N 23 119.153 126.033 -6.880 1
1 182 . 14 1 1 A 23 23 ARG H H 23 9.094 8.880 0.214 1
1 183 . 14 1 1 A 23 23 ARG CA C 23 57.288 59.835 -2.547 1
1 184 . 14 1 1 A 23 23 ARG HA H 23 4.241 3.966 0.275 1
1 185 . 14 1 1 A 23 23 ARG CB C 23 30.571 30.368 0.203 1
1 191 . 14 1 1 A 23 23 ARG C C 23 174.928 175.960 -1.032 1
1 195 . 14 1 1 A 24 24 HIS N N 24 113.877 113.314 0.563 1
1 196 . 14 1 1 A 24 24 HIS H H 24 7.141 7.521 -0.380 1
1 197 . 14 1 1 A 24 24 HIS CA C 24 56.129 53.539 2.590 1
1 198 . 14 1 1 A 24 24 HIS HA H 24 4.863 4.895 -0.032 1
1 199 . 14 1 1 A 24 24 HIS CB C 24 34.501 33.008 1.493 1
1 205 . 14 1 1 A 24 24 HIS C C 24 176.303 175.727 0.576 1
1 207 . 14 1 1 A 25 25 SER CA C 25 61.779 62.034 -0.255 1
1 208 . 14 1 1 A 25 25 SER HA H 25 4.060 4.111 -0.051 1
1 209 . 14 1 1 A 25 25 SER CB C 25 62.462 62.753 -0.291 1
1 212 . 14 1 1 A 26 26 SER N N 26 119.893 116.610 3.283 1
1 213 . 14 1 1 A 26 26 SER H H 26 9.650 8.505 1.145 1
1 214 . 14 1 1 A 26 26 SER CA C 26 61.866 61.837 0.029 1
1 215 . 14 1 1 A 26 26 SER HA H 26 3.950 4.255 -0.305 1
1 216 . 14 1 1 A 26 26 SER CB C 26 61.788 62.858 -1.070 1
1 218 . 14 1 1 A 26 26 SER C C 26 176.964 177.033 -0.069 1
1 220 . 14 1 1 A 27 27 LEU N N 27 121.674 121.780 -0.106 1
1 221 . 14 1 1 A 27 27 LEU H H 27 7.141 7.996 -0.855 1
1 222 . 14 1 1 A 27 27 LEU CA C 27 56.669 57.954 -1.285 1
1 223 . 14 1 1 A 27 27 LEU HA H 27 4.170 3.815 0.355 1
1 224 . 14 1 1 A 27 27 LEU CB C 27 41.962 41.676 0.286 1
1 236 . 14 1 1 A 27 27 LEU C C 27 179.312 178.939 0.373 1
1 238 . 14 1 1 A 28 28 LEU N N 28 121.976 119.118 2.858 1
1 239 . 14 1 1 A 28 28 LEU H H 28 7.075 7.943 -0.868 1
1 240 . 14 1 1 A 28 28 LEU CA C 28 57.616 57.456 0.160 1
1 241 . 14 1 1 A 28 28 LEU HA H 28 3.216 2.711 0.505 1
1 242 . 14 1 1 A 28 28 LEU CB C 28 40.475 41.402 -0.927 1
1 254 . 14 1 1 A 28 28 LEU C C 28 177.651 178.530 -0.879 1
1 256 . 14 1 1 A 29 29 ILE N N 29 119.789 119.163 0.626 1
1 257 . 14 1 1 A 29 29 ILE H H 29 7.956 8.499 -0.543 1
1 258 . 14 1 1 A 29 29 ILE CA C 29 64.818 65.086 -0.268 1
1 259 . 14 1 1 A 29 29 ILE HA H 29 3.770 3.460 0.310 1
1 260 . 14 1 1 A 29 29 ILE CB C 29 37.729 37.708 0.021 1
1 272 . 14 1 1 A 29 29 ILE C C 29 179.269 178.176 1.093 1
1 274 . 14 1 1 A 30 30 GLU N N 30 119.089 120.008 -0.919 1
1 275 . 14 1 1 A 30 30 GLU H H 30 7.425 8.108 -0.683 1
1 276 . 14 1 1 A 30 30 GLU CA C 30 59.239 59.285 -0.046 1
1 277 . 14 1 1 A 30 30 GLU HA H 30 4.030 3.999 0.031 1
1 278 . 14 1 1 A 30 30 GLU CB C 30 29.976 29.319 0.657 1
1 282 . 14 1 1 A 30 30 GLU C C 30 178.534 178.825 -0.291 1
1 285 . 14 1 1 A 31 31 HIS N N 31 118.679 121.056 -2.377 1
1 286 . 14 1 1 A 31 31 HIS H H 31 7.493 7.796 -0.303 1
1 287 . 14 1 1 A 31 31 HIS CA C 31 58.956 59.367 -0.411 1
1 288 . 14 1 1 A 31 31 HIS HA H 31 4.224 4.203 0.021 1
1 289 . 14 1 1 A 31 31 HIS CB C 31 28.605 29.936 -1.331 1
1 295 . 14 1 1 A 31 31 HIS C C 31 176.314 177.359 -1.045 1
1 297 . 14 1 1 A 32 32 GLN N N 32 116.911 118.542 -1.631 1
1 298 . 14 1 1 A 32 32 GLN H H 32 8.454 8.588 -0.134 1
1 299 . 14 1 1 A 32 32 GLN CA C 32 59.194 58.844 0.350 1
1 300 . 14 1 1 A 32 32 GLN HA H 32 3.772 3.868 -0.096 1
1 301 . 14 1 1 A 32 32 GLN CB C 32 28.057 28.221 -0.164 1
1 308 . 14 1 1 A 32 32 GLN C C 32 178.135 178.080 0.055 1
1 311 . 14 1 1 A 33 33 ALA N N 33 121.580 121.592 -0.012 1
1 312 . 14 1 1 A 33 33 ALA H H 33 7.279 7.542 -0.263 1
1 313 . 14 1 1 A 33 33 ALA CA C 33 54.593 54.906 -0.313 1
1 314 . 14 1 1 A 33 33 ALA HA H 33 4.163 4.060 0.103 1
1 315 . 14 1 1 A 33 33 ALA CB C 33 18.182 18.492 -0.310 1
1 319 . 14 1 1 A 33 33 ALA C C 33 179.581 179.879 -0.298 1
1 320 . 14 1 1 A 34 34 LEU N N 34 117.524 117.038 0.486 1
1 321 . 14 1 1 A 34 34 LEU H H 34 7.733 7.516 0.217 1
1 322 . 14 1 1 A 34 34 LEU CA C 34 56.653 57.869 -1.216 1
1 323 . 14 1 1 A 34 34 LEU HA H 34 4.058 3.875 0.183 1
1 324 . 14 1 1 A 34 34 LEU CB C 34 41.217 41.141 0.076 1
1 336 . 14 1 1 A 34 34 LEU C C 34 179.011 178.887 0.124 1
1 338 . 14 1 1 A 35 35 HIS N N 35 115.390 117.977 -2.587 1
1 339 . 14 1 1 A 35 35 HIS H H 35 7.175 7.951 -0.776 1
1 340 . 14 1 1 A 35 35 HIS CA C 35 55.525 59.156 -3.631 1
1 341 . 14 1 1 A 35 35 HIS HA H 35 4.738 4.386 0.352 1
1 342 . 14 1 1 A 35 35 HIS CB C 35 28.715 29.464 -0.749 1
1 348 . 14 1 1 A 35 35 HIS C C 35 175.385 176.344 -0.959 1
1 350 . 14 1 1 A 36 36 ALA N N 36 122.651 120.032 2.619 1
1 351 . 14 1 1 A 36 36 ALA H H 36 7.634 7.371 0.263 1
1 352 . 14 1 1 A 36 36 ALA CA C 36 53.281 51.261 2.020 1
1 353 . 14 1 1 A 36 36 ALA HA H 36 4.328 4.337 -0.009 1
1 354 . 14 1 1 A 36 36 ALA CB C 36 19.154 18.422 0.732 1
1 358 . 14 1 1 A 36 36 ALA C C 36 178.273 177.262 1.011 1
1 359 . 14 1 1 A 37 37 GLY N N 37 107.266 109.987 -2.721 1
1 360 . 14 1 1 A 37 37 GLY H H 37 8.163 8.454 -0.291 1
1 361 . 14 1 1 A 37 37 GLY CA C 37 45.358 45.943 -0.585 1
1 362 . 14 1 1 A 37 37 GLY HA3 H 37 3.964 4.174 -0.210 1
1 363 . 14 1 1 A 37 37 GLY C C 37 174.369 172.279 2.090 1
1 364 . 14 1 1 A 37 37 GLY HA2 H 37 4.027 4.172 -0.145 1
1 365 . 14 1 1 A 38 38 GLU N N 38 120.486 123.126 -2.640 1
1 366 . 14 1 1 A 38 38 GLU H H 38 8.160 8.562 -0.402 1
1 367 . 14 1 1 A 38 38 GLU CA C 38 56.658 55.581 1.077 1
1 368 . 14 1 1 A 38 38 GLU HA H 38 4.357 4.750 -0.393 1
1 369 . 14 1 1 A 38 38 GLU CB C 38 30.381 31.232 -0.851 1
1 373 . 14 1 1 A 38 38 GLU C C 38 176.730 175.432 1.298 1
1 376 . 14 1 1 A 39 39 SER N N 39 116.555 119.325 -2.770 1
1 377 . 14 1 1 A 39 39 SER H H 39 8.391 8.820 -0.429 1
1 378 . 14 1 1 A 39 39 SER CA C 39 58.397 56.147 2.250 1
1 379 . 14 1 1 A 39 39 SER HA H 39 4.515 5.261 -0.746 1
1 380 . 14 1 1 A 39 39 SER CB C 39 63.960 66.569 -2.609 1
1 382 . 14 1 1 A 39 39 SER C C 39 174.602 174.111 0.491 1
1 384 . 14 1 1 A 40 40 GLY N N 40 110.681 113.804 -3.123 1
1 385 . 14 1 1 A 40 40 GLY H H 40 8.239 8.742 -0.503 1
1 386 . 14 1 1 A 40 40 GLY CA C 40 44.666 46.761 -2.095 1
1 387 . 14 1 1 A 40 40 GLY HA3 H 40 4.087 3.947 0.140 1
1 388 . 14 1 1 A 40 40 GLY C C 40 171.769 175.479 -3.710 1
1 389 . 14 1 1 A 40 40 GLY HA2 H 40 4.185 3.947 0.238 1
1 390 . 14 1 1 A 41 41 PRO CA C 41 63.229 63.673 -0.444 1
1 391 . 14 1 1 A 41 41 PRO HA H 41 4.489 4.510 -0.021 1
1 392 . 14 1 1 A 41 41 PRO CB C 41 32.192 32.177 0.015 1
1 398 . 14 1 1 A 41 41 PRO C C 41 177.375 177.780 -0.405 1
1 402 . 14 1 1 A 42 42 SER N N 42 116.504 114.671 1.833 1
1 403 . 14 1 1 A 42 42 SER H H 42 8.544 8.136 0.408 1
1 404 . 14 1 1 A 42 42 SER CA C 42 58.364 61.890 -3.526 1
1 405 . 14 1 1 A 42 42 SER HA H 42 4.470 4.152 0.318 1
1 406 . 14 1 1 A 42 42 SER CB C 42 64.062 62.980 1.082 1
1 408 . 14 1 1 A 42 42 SER C C 42 174.704 174.650 0.054 1
1 410 . 14 1 1 A 43 43 SER N N 43 117.992 115.138 2.854 1
1 411 . 14 1 1 A 43 43 SER H H 43 8.358 8.056 0.302 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.366 45.936 -0.570 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.975 3.783 0.192 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.840 173.039 0.801 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 3.975 3.763 0.212 1
1 5 . 15 1 1 A 8 8 ALA N N 8 123.813 121.773 2.040 1
1 6 . 15 1 1 A 8 8 ALA H H 8 8.108 8.132 -0.024 1
1 7 . 15 1 1 A 8 8 ALA CA C 8 52.400 51.192 1.208 1
1 8 . 15 1 1 A 8 8 ALA HA H 8 4.317 4.977 -0.660 1
1 9 . 15 1 1 A 8 8 ALA CB C 8 19.299 23.191 -3.892 1
1 13 . 15 1 1 A 8 8 ALA C C 8 177.523 176.347 1.176 1
1 14 . 15 1 1 A 9 9 ALA N N 9 123.426 122.161 1.265 1
1 15 . 15 1 1 A 9 9 ALA H H 9 8.272 8.383 -0.111 1
1 16 . 15 1 1 A 9 9 ALA CA C 9 52.433 52.441 -0.008 1
1 17 . 15 1 1 A 9 9 ALA HA H 9 4.313 4.340 -0.027 1
1 18 . 15 1 1 A 9 9 ALA CB C 9 19.254 20.134 -0.880 1
1 22 . 15 1 1 A 9 9 ALA C C 9 177.795 178.428 -0.633 1
1 23 . 15 1 1 A 10 10 LYS N N 10 120.933 120.123 0.810 1
1 24 . 15 1 1 A 10 10 LYS H H 10 8.368 8.912 -0.544 1
1 25 . 15 1 1 A 10 10 LYS CA C 10 56.323 59.483 -3.160 1
1 26 . 15 1 1 A 10 10 LYS HA H 10 4.427 3.982 0.445 1
1 27 . 15 1 1 A 10 10 LYS CB C 10 33.105 32.364 0.741 1
1 35 . 15 1 1 A 10 10 LYS C C 10 176.978 177.915 -0.937 1
1 40 . 15 1 1 A 11 11 THR N N 11 114.437 109.839 4.598 1
1 41 . 15 1 1 A 11 11 THR H H 11 8.308 7.669 0.639 1
1 42 . 15 1 1 A 11 11 THR CA C 11 61.617 61.551 0.066 1
1 43 . 15 1 1 A 11 11 THR HA H 11 4.472 4.322 0.150 1
1 44 . 15 1 1 A 11 11 THR CB C 11 69.821 68.048 1.773 1
1 50 . 15 1 1 A 11 11 THR C C 11 174.562 174.405 0.157 1
1 51 . 15 1 1 A 12 12 THR N N 12 114.598 119.344 -4.746 1
1 52 . 15 1 1 A 12 12 THR H H 12 7.915 8.484 -0.569 1
1 53 . 15 1 1 A 12 12 THR CA C 12 61.451 61.211 0.240 1
1 54 . 15 1 1 A 12 12 THR HA H 12 4.492 4.790 -0.298 1
1 55 . 15 1 1 A 12 12 THR CB C 12 70.427 72.644 -2.217 1
1 61 . 15 1 1 A 12 12 THR C C 12 174.236 173.333 0.903 1
1 62 . 15 1 1 A 13 13 SER N N 13 117.902 121.264 -3.362 1
1 63 . 15 1 1 A 13 13 SER H H 13 8.580 8.686 -0.106 1
1 64 . 15 1 1 A 13 13 SER CA C 13 58.138 59.043 -0.905 1
1 65 . 15 1 1 A 13 13 SER HA H 13 4.684 4.634 0.050 1
1 66 . 15 1 1 A 13 13 SER CB C 13 65.065 62.013 3.052 1
1 68 . 15 1 1 A 13 13 SER C C 13 172.108 173.701 -1.593 1
1 70 . 15 1 1 A 14 14 GLU N N 14 124.193 126.439 -2.246 1
1 71 . 15 1 1 A 14 14 GLU H H 14 8.386 8.639 -0.253 1
1 72 . 15 1 1 A 14 14 GLU CA C 14 54.181 54.918 -0.737 1
1 73 . 15 1 1 A 14 14 GLU HA H 14 5.048 5.114 -0.066 1
1 74 . 15 1 1 A 14 14 GLU CB C 14 33.085 32.904 0.181 1
1 78 . 15 1 1 A 14 14 GLU C C 14 175.059 175.759 -0.700 1
1 81 . 15 1 1 A 15 15 CYS N N 15 126.927 125.153 1.774 1
1 82 . 15 1 1 A 15 15 CYS H H 15 9.263 8.938 0.325 1
1 83 . 15 1 1 A 15 15 CYS CA C 15 59.573 58.748 0.825 1
1 84 . 15 1 1 A 15 15 CYS HA H 15 4.562 4.497 0.065 1
1 85 . 15 1 1 A 15 15 CYS CB C 15 29.667 27.630 2.037 1
1 87 . 15 1 1 A 15 15 CYS C C 15 177.427 176.050 1.377 1
1 89 . 15 1 1 A 16 16 GLN N N 16 131.467 126.970 4.497 1
1 90 . 15 1 1 A 16 16 GLN H H 16 9.521 8.758 0.763 1
1 91 . 15 1 1 A 16 16 GLN CA C 16 57.973 58.197 -0.224 1
1 92 . 15 1 1 A 16 16 GLN HA H 16 4.175 4.060 0.115 1
1 93 . 15 1 1 A 16 16 GLN CB C 16 28.562 28.099 0.463 1
1 100 . 15 1 1 A 16 16 GLN C C 16 176.140 177.911 -1.771 1
1 103 . 15 1 1 A 17 17 GLU N N 17 120.316 118.503 1.813 1
1 104 . 15 1 1 A 17 17 GLU H H 17 8.682 8.052 0.630 1
1 105 . 15 1 1 A 17 17 GLU CA C 17 58.362 58.791 -0.429 1
1 106 . 15 1 1 A 17 17 GLU HA H 17 4.233 4.012 0.221 1
1 107 . 15 1 1 A 17 17 GLU CB C 17 29.552 29.340 0.212 1
1 111 . 15 1 1 A 17 17 GLU C C 17 177.303 178.083 -0.780 1
1 114 . 15 1 1 A 18 18 CYS N N 18 114.810 115.003 -0.193 1
1 115 . 15 1 1 A 18 18 CYS H H 18 8.042 8.025 0.017 1
1 116 . 15 1 1 A 18 18 CYS CA C 18 58.513 59.513 -1.000 1
1 117 . 15 1 1 A 18 18 CYS HA H 18 5.154 4.677 0.477 1
1 118 . 15 1 1 A 18 18 CYS CB C 18 32.408 30.210 2.198 1
1 120 . 15 1 1 A 18 18 CYS C C 18 176.323 175.533 0.790 1
1 122 . 15 1 1 A 19 19 GLY N N 19 113.476 110.121 3.355 1
1 123 . 15 1 1 A 19 19 GLY H H 19 8.183 8.520 -0.337 1
1 124 . 15 1 1 A 19 19 GLY CA C 19 46.149 45.471 0.678 1
1 125 . 15 1 1 A 19 19 GLY HA3 H 19 4.200 4.043 0.157 1
1 126 . 15 1 1 A 19 19 GLY C C 19 173.814 174.321 -0.507 1
1 127 . 15 1 1 A 19 19 GLY HA2 H 19 3.921 4.038 -0.117 1
1 128 . 15 1 1 A 20 20 LYS N N 20 122.183 120.372 1.811 1
1 129 . 15 1 1 A 20 20 LYS H H 20 7.830 7.729 0.101 1
1 130 . 15 1 1 A 20 20 LYS CA C 20 58.063 54.681 3.382 1
1 131 . 15 1 1 A 20 20 LYS HA H 20 3.979 4.492 -0.513 1
1 132 . 15 1 1 A 20 20 LYS CB C 20 34.034 34.229 -0.195 1
1 140 . 15 1 1 A 20 20 LYS C C 20 174.133 175.215 -1.082 1
1 145 . 15 1 1 A 21 21 ILE N N 21 120.927 127.853 -6.926 1
1 146 . 15 1 1 A 21 21 ILE H H 21 7.770 8.496 -0.726 1
1 147 . 15 1 1 A 21 21 ILE CA C 21 60.180 61.226 -1.046 1
1 148 . 15 1 1 A 21 21 ILE HA H 21 4.452 4.198 0.254 1
1 149 . 15 1 1 A 21 21 ILE CB C 21 39.694 38.052 1.642 1
1 161 . 15 1 1 A 21 21 ILE C C 21 175.461 175.333 0.128 1
1 163 . 15 1 1 A 22 22 PHE N N 22 123.258 124.862 -1.604 1
1 164 . 15 1 1 A 22 22 PHE H H 22 8.648 8.892 -0.244 1
1 165 . 15 1 1 A 22 22 PHE CA C 22 56.828 56.165 0.663 1
1 166 . 15 1 1 A 22 22 PHE HA H 22 4.710 4.889 -0.179 1
1 167 . 15 1 1 A 22 22 PHE CB C 22 43.452 42.143 1.309 1
1 179 . 15 1 1 A 22 22 PHE C C 22 176.151 175.738 0.413 1
1 181 . 15 1 1 A 23 23 ARG N N 23 119.153 125.058 -5.905 1
1 182 . 15 1 1 A 23 23 ARG H H 23 9.094 8.928 0.166 1
1 183 . 15 1 1 A 23 23 ARG CA C 23 57.288 59.523 -2.235 1
1 184 . 15 1 1 A 23 23 ARG HA H 23 4.241 4.003 0.238 1
1 185 . 15 1 1 A 23 23 ARG CB C 23 30.571 30.743 -0.172 1
1 191 . 15 1 1 A 23 23 ARG C C 23 174.928 176.013 -1.085 1
1 195 . 15 1 1 A 24 24 HIS N N 24 113.877 113.573 0.304 1
1 196 . 15 1 1 A 24 24 HIS H H 24 7.141 7.473 -0.332 1
1 197 . 15 1 1 A 24 24 HIS CA C 24 56.129 53.821 2.308 1
1 198 . 15 1 1 A 24 24 HIS HA H 24 4.863 4.898 -0.035 1
1 199 . 15 1 1 A 24 24 HIS CB C 24 34.501 32.481 2.020 1
1 205 . 15 1 1 A 24 24 HIS C C 24 176.303 175.914 0.389 1
1 207 . 15 1 1 A 25 25 SER CA C 25 61.779 61.567 0.212 1
1 208 . 15 1 1 A 25 25 SER HA H 25 4.060 4.024 0.036 1
1 209 . 15 1 1 A 25 25 SER CB C 25 62.462 62.625 -0.163 1
1 212 . 15 1 1 A 26 26 SER N N 26 119.893 116.747 3.146 1
1 213 . 15 1 1 A 26 26 SER H H 26 9.650 8.305 1.345 1
1 214 . 15 1 1 A 26 26 SER CA C 26 61.866 62.565 -0.699 1
1 215 . 15 1 1 A 26 26 SER HA H 26 3.950 4.144 -0.194 1
1 216 . 15 1 1 A 26 26 SER CB C 26 61.788 62.765 -0.977 1
1 218 . 15 1 1 A 26 26 SER C C 26 176.964 176.603 0.361 1
1 220 . 15 1 1 A 27 27 LEU N N 27 121.674 120.580 1.094 1
1 221 . 15 1 1 A 27 27 LEU H H 27 7.141 7.728 -0.587 1
1 222 . 15 1 1 A 27 27 LEU CA C 27 56.669 57.955 -1.286 1
1 223 . 15 1 1 A 27 27 LEU HA H 27 4.170 3.776 0.394 1
1 224 . 15 1 1 A 27 27 LEU CB C 27 41.962 41.539 0.423 1
1 236 . 15 1 1 A 27 27 LEU C C 27 179.312 178.840 0.472 1
1 238 . 15 1 1 A 28 28 LEU N N 28 121.976 119.162 2.814 1
1 239 . 15 1 1 A 28 28 LEU H H 28 7.075 7.873 -0.798 1
1 240 . 15 1 1 A 28 28 LEU CA C 28 57.616 57.397 0.219 1
1 241 . 15 1 1 A 28 28 LEU HA H 28 3.216 2.571 0.645 1
1 242 . 15 1 1 A 28 28 LEU CB C 28 40.475 41.233 -0.758 1
1 254 . 15 1 1 A 28 28 LEU C C 28 177.651 178.393 -0.742 1
1 256 . 15 1 1 A 29 29 ILE N N 29 119.789 119.547 0.242 1
1 257 . 15 1 1 A 29 29 ILE H H 29 7.956 8.352 -0.396 1
1 258 . 15 1 1 A 29 29 ILE CA C 29 64.818 65.204 -0.386 1
1 259 . 15 1 1 A 29 29 ILE HA H 29 3.770 3.613 0.157 1
1 260 . 15 1 1 A 29 29 ILE CB C 29 37.729 37.696 0.033 1
1 272 . 15 1 1 A 29 29 ILE C C 29 179.269 178.211 1.058 1
1 274 . 15 1 1 A 30 30 GLU N N 30 119.089 119.915 -0.826 1
1 275 . 15 1 1 A 30 30 GLU H H 30 7.425 7.906 -0.481 1
1 276 . 15 1 1 A 30 30 GLU CA C 30 59.239 59.441 -0.202 1
1 277 . 15 1 1 A 30 30 GLU HA H 30 4.030 3.946 0.084 1
1 278 . 15 1 1 A 30 30 GLU CB C 30 29.976 29.241 0.735 1
1 282 . 15 1 1 A 30 30 GLU C C 30 178.534 178.522 0.012 1
1 285 . 15 1 1 A 31 31 HIS N N 31 118.679 120.442 -1.763 1
1 286 . 15 1 1 A 31 31 HIS H H 31 7.493 7.788 -0.295 1
1 287 . 15 1 1 A 31 31 HIS CA C 31 58.956 59.445 -0.489 1
1 288 . 15 1 1 A 31 31 HIS HA H 31 4.224 4.150 0.074 1
1 289 . 15 1 1 A 31 31 HIS CB C 31 28.605 29.501 -0.896 1
1 295 . 15 1 1 A 31 31 HIS C C 31 176.314 177.228 -0.914 1
1 297 . 15 1 1 A 32 32 GLN N N 32 116.911 117.630 -0.719 1
1 298 . 15 1 1 A 32 32 GLN H H 32 8.454 8.675 -0.221 1
1 299 . 15 1 1 A 32 32 GLN CA C 32 59.194 59.121 0.073 1
1 300 . 15 1 1 A 32 32 GLN HA H 32 3.772 3.940 -0.168 1
1 301 . 15 1 1 A 32 32 GLN CB C 32 28.057 28.249 -0.192 1
1 308 . 15 1 1 A 32 32 GLN C C 32 178.135 178.148 -0.013 1
1 311 . 15 1 1 A 33 33 ALA N N 33 121.580 121.701 -0.121 1
1 312 . 15 1 1 A 33 33 ALA H H 33 7.279 7.543 -0.264 1
1 313 . 15 1 1 A 33 33 ALA CA C 33 54.593 54.972 -0.379 1
1 314 . 15 1 1 A 33 33 ALA HA H 33 4.163 4.059 0.104 1
1 315 . 15 1 1 A 33 33 ALA CB C 33 18.182 18.488 -0.306 1
1 319 . 15 1 1 A 33 33 ALA C C 33 179.581 179.801 -0.220 1
1 320 . 15 1 1 A 34 34 LEU N N 34 117.524 116.964 0.560 1
1 321 . 15 1 1 A 34 34 LEU H H 34 7.733 7.655 0.078 1
1 322 . 15 1 1 A 34 34 LEU CA C 34 56.653 57.860 -1.207 1
1 323 . 15 1 1 A 34 34 LEU HA H 34 4.058 3.875 0.183 1
1 324 . 15 1 1 A 34 34 LEU CB C 34 41.217 41.283 -0.066 1
1 336 . 15 1 1 A 34 34 LEU C C 34 179.011 178.470 0.541 1
1 338 . 15 1 1 A 35 35 HIS N N 35 115.390 118.601 -3.211 1
1 339 . 15 1 1 A 35 35 HIS H H 35 7.175 8.190 -1.015 1
1 340 . 15 1 1 A 35 35 HIS CA C 35 55.525 59.495 -3.970 1
1 341 . 15 1 1 A 35 35 HIS HA H 35 4.738 4.353 0.385 1
1 342 . 15 1 1 A 35 35 HIS CB C 35 28.715 29.689 -0.974 1
1 348 . 15 1 1 A 35 35 HIS C C 35 175.385 177.569 -2.184 1
1 350 . 15 1 1 A 36 36 ALA N N 36 122.651 120.846 1.805 1
1 351 . 15 1 1 A 36 36 ALA H H 36 7.634 7.620 0.014 1
1 352 . 15 1 1 A 36 36 ALA CA C 36 53.281 55.117 -1.836 1
1 353 . 15 1 1 A 36 36 ALA HA H 36 4.328 4.039 0.289 1
1 354 . 15 1 1 A 36 36 ALA CB C 36 19.154 19.195 -0.041 1
1 358 . 15 1 1 A 36 36 ALA C C 36 178.273 177.751 0.522 1
1 359 . 15 1 1 A 37 37 GLY N N 37 107.266 101.929 5.337 1
1 360 . 15 1 1 A 37 37 GLY H H 37 8.163 7.072 1.091 1
1 361 . 15 1 1 A 37 37 GLY CA C 37 45.358 46.053 -0.695 1
1 362 . 15 1 1 A 37 37 GLY HA3 H 37 3.964 4.036 -0.072 1
1 363 . 15 1 1 A 37 37 GLY C C 37 174.369 173.579 0.790 1
1 364 . 15 1 1 A 37 37 GLY HA2 H 37 4.027 4.035 -0.008 1
1 365 . 15 1 1 A 38 38 GLU N N 38 120.486 121.832 -1.346 1
1 366 . 15 1 1 A 38 38 GLU H H 38 8.160 8.782 -0.622 1
1 367 . 15 1 1 A 38 38 GLU CA C 38 56.658 57.796 -1.138 1
1 368 . 15 1 1 A 38 38 GLU HA H 38 4.357 4.490 -0.133 1
1 369 . 15 1 1 A 38 38 GLU CB C 38 30.381 32.213 -1.832 1
1 373 . 15 1 1 A 38 38 GLU C C 38 176.730 177.787 -1.057 1
1 376 . 15 1 1 A 39 39 SER N N 39 116.555 112.278 4.277 1
1 377 . 15 1 1 A 39 39 SER H H 39 8.391 8.203 0.188 1
1 378 . 15 1 1 A 39 39 SER CA C 39 58.397 60.021 -1.624 1
1 379 . 15 1 1 A 39 39 SER HA H 39 4.515 4.561 -0.046 1
1 380 . 15 1 1 A 39 39 SER CB C 39 63.960 64.951 -0.991 1
1 382 . 15 1 1 A 39 39 SER C C 39 174.602 174.778 -0.176 1
1 384 . 15 1 1 A 40 40 GLY N N 40 110.681 105.886 4.795 1
1 385 . 15 1 1 A 40 40 GLY H H 40 8.239 7.802 0.437 1
1 386 . 15 1 1 A 40 40 GLY CA C 40 44.666 45.387 -0.721 1
1 387 . 15 1 1 A 40 40 GLY HA3 H 40 4.087 4.353 -0.266 1
1 388 . 15 1 1 A 40 40 GLY C C 40 171.769 171.620 0.149 1
1 389 . 15 1 1 A 40 40 GLY HA2 H 40 4.185 4.352 -0.167 1
1 390 . 15 1 1 A 41 41 PRO CA C 41 63.229 62.475 0.754 1
1 391 . 15 1 1 A 41 41 PRO HA H 41 4.489 4.662 -0.173 1
1 392 . 15 1 1 A 41 41 PRO CB C 41 32.192 33.181 -0.989 1
1 398 . 15 1 1 A 41 41 PRO C C 41 177.375 175.454 1.921 1
1 402 . 15 1 1 A 42 42 SER N N 42 116.504 117.256 -0.752 1
1 403 . 15 1 1 A 42 42 SER H H 42 8.544 8.527 0.017 1
1 404 . 15 1 1 A 42 42 SER CA C 42 58.364 57.024 1.340 1
1 405 . 15 1 1 A 42 42 SER HA H 42 4.470 4.724 -0.254 1
1 406 . 15 1 1 A 42 42 SER CB C 42 64.062 63.983 0.079 1
1 408 . 15 1 1 A 42 42 SER C C 42 174.704 173.934 0.770 1
1 410 . 15 1 1 A 43 43 SER N N 43 117.992 124.574 -6.582 1
1 411 . 15 1 1 A 43 43 SER H H 43 8.358 8.766 -0.408 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.366 46.173 -0.807 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.975 3.985 -0.010 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.840 173.736 0.104 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 3.975 3.983 -0.008 1
1 5 . 16 1 1 A 8 8 ALA N N 8 123.813 118.274 5.539 1
1 6 . 16 1 1 A 8 8 ALA H H 8 8.108 7.605 0.503 1
1 7 . 16 1 1 A 8 8 ALA CA C 8 52.400 51.486 0.914 1
1 8 . 16 1 1 A 8 8 ALA HA H 8 4.317 4.395 -0.078 1
1 9 . 16 1 1 A 8 8 ALA CB C 8 19.299 21.221 -1.922 1
1 13 . 16 1 1 A 8 8 ALA C C 8 177.523 176.590 0.933 1
1 14 . 16 1 1 A 9 9 ALA N N 9 123.426 120.374 3.052 1
1 15 . 16 1 1 A 9 9 ALA H H 9 8.272 8.378 -0.106 1
1 16 . 16 1 1 A 9 9 ALA CA C 9 52.433 51.622 0.811 1
1 17 . 16 1 1 A 9 9 ALA HA H 9 4.313 4.449 -0.136 1
1 18 . 16 1 1 A 9 9 ALA CB C 9 19.254 18.489 0.765 1
1 22 . 16 1 1 A 9 9 ALA C C 9 177.795 176.586 1.209 1
1 23 . 16 1 1 A 10 10 LYS N N 10 120.933 112.846 8.087 1
1 24 . 16 1 1 A 10 10 LYS H H 10 8.368 7.911 0.457 1
1 25 . 16 1 1 A 10 10 LYS CA C 10 56.323 57.284 -0.961 1
1 26 . 16 1 1 A 10 10 LYS HA H 10 4.427 3.913 0.514 1
1 27 . 16 1 1 A 10 10 LYS CB C 10 33.105 29.489 3.616 1
1 35 . 16 1 1 A 10 10 LYS C C 10 176.978 175.676 1.302 1
1 40 . 16 1 1 A 11 11 THR N N 11 114.437 108.913 5.524 1
1 41 . 16 1 1 A 11 11 THR H H 11 8.308 8.208 0.100 1
1 42 . 16 1 1 A 11 11 THR CA C 11 61.617 61.666 -0.049 1
1 43 . 16 1 1 A 11 11 THR HA H 11 4.472 4.635 -0.163 1
1 44 . 16 1 1 A 11 11 THR CB C 11 69.821 70.694 -0.873 1
1 50 . 16 1 1 A 11 11 THR C C 11 174.562 175.000 -0.438 1
1 51 . 16 1 1 A 12 12 THR N N 12 114.598 118.966 -4.368 1
1 52 . 16 1 1 A 12 12 THR H H 12 7.915 7.627 0.288 1
1 53 . 16 1 1 A 12 12 THR CA C 12 61.451 62.191 -0.740 1
1 54 . 16 1 1 A 12 12 THR HA H 12 4.492 4.372 0.120 1
1 55 . 16 1 1 A 12 12 THR CB C 12 70.427 69.473 0.954 1
1 61 . 16 1 1 A 12 12 THR C C 12 174.236 175.010 -0.774 1
1 62 . 16 1 1 A 13 13 SER N N 13 117.902 121.220 -3.318 1
1 63 . 16 1 1 A 13 13 SER H H 13 8.580 8.665 -0.085 1
1 64 . 16 1 1 A 13 13 SER CA C 13 58.138 57.953 0.185 1
1 65 . 16 1 1 A 13 13 SER HA H 13 4.684 4.597 0.087 1
1 66 . 16 1 1 A 13 13 SER CB C 13 65.065 61.481 3.584 1
1 68 . 16 1 1 A 13 13 SER C C 13 172.108 173.710 -1.602 1
1 70 . 16 1 1 A 14 14 GLU N N 14 124.193 124.453 -0.260 1
1 71 . 16 1 1 A 14 14 GLU H H 14 8.386 9.046 -0.660 1
1 72 . 16 1 1 A 14 14 GLU CA C 14 54.181 56.402 -2.221 1
1 73 . 16 1 1 A 14 14 GLU HA H 14 5.048 4.876 0.172 1
1 74 . 16 1 1 A 14 14 GLU CB C 14 33.085 30.958 2.127 1
1 78 . 16 1 1 A 14 14 GLU C C 14 175.059 176.204 -1.145 1
1 81 . 16 1 1 A 15 15 CYS N N 15 126.927 124.288 2.639 1
1 82 . 16 1 1 A 15 15 CYS H H 15 9.263 9.140 0.123 1
1 83 . 16 1 1 A 15 15 CYS CA C 15 59.573 58.211 1.362 1
1 84 . 16 1 1 A 15 15 CYS HA H 15 4.562 4.683 -0.121 1
1 85 . 16 1 1 A 15 15 CYS CB C 15 29.667 28.408 1.259 1
1 87 . 16 1 1 A 15 15 CYS C C 15 177.427 176.080 1.347 1
1 89 . 16 1 1 A 16 16 GLN N N 16 131.467 127.015 4.452 1
1 90 . 16 1 1 A 16 16 GLN H H 16 9.521 8.754 0.767 1
1 91 . 16 1 1 A 16 16 GLN CA C 16 57.973 58.179 -0.206 1
1 92 . 16 1 1 A 16 16 GLN HA H 16 4.175 4.066 0.109 1
1 93 . 16 1 1 A 16 16 GLN CB C 16 28.562 28.014 0.548 1
1 100 . 16 1 1 A 16 16 GLN C C 16 176.140 177.796 -1.656 1
1 103 . 16 1 1 A 17 17 GLU N N 17 120.316 118.453 1.863 1
1 104 . 16 1 1 A 17 17 GLU H H 17 8.682 8.041 0.641 1
1 105 . 16 1 1 A 17 17 GLU CA C 17 58.362 58.734 -0.372 1
1 106 . 16 1 1 A 17 17 GLU HA H 17 4.233 3.998 0.235 1
1 107 . 16 1 1 A 17 17 GLU CB C 17 29.552 29.265 0.287 1
1 111 . 16 1 1 A 17 17 GLU C C 17 177.303 178.075 -0.772 1
1 114 . 16 1 1 A 18 18 CYS N N 18 114.810 115.002 -0.192 1
1 115 . 16 1 1 A 18 18 CYS H H 18 8.042 8.014 0.028 1
1 116 . 16 1 1 A 18 18 CYS CA C 18 58.513 59.455 -0.942 1
1 117 . 16 1 1 A 18 18 CYS HA H 18 5.154 4.684 0.470 1
1 118 . 16 1 1 A 18 18 CYS CB C 18 32.408 30.087 2.321 1
1 120 . 16 1 1 A 18 18 CYS C C 18 176.323 175.438 0.885 1
1 122 . 16 1 1 A 19 19 GLY N N 19 113.476 110.323 3.153 1
1 123 . 16 1 1 A 19 19 GLY H H 19 8.183 8.460 -0.277 1
1 124 . 16 1 1 A 19 19 GLY CA C 19 46.149 45.328 0.821 1
1 125 . 16 1 1 A 19 19 GLY HA3 H 19 4.200 4.035 0.165 1
1 126 . 16 1 1 A 19 19 GLY C C 19 173.814 174.250 -0.436 1
1 127 . 16 1 1 A 19 19 GLY HA2 H 19 3.921 4.030 -0.109 1
1 128 . 16 1 1 A 20 20 LYS N N 20 122.183 120.923 1.260 1
1 129 . 16 1 1 A 20 20 LYS H H 20 7.830 7.797 0.033 1
1 130 . 16 1 1 A 20 20 LYS CA C 20 58.063 54.608 3.455 1
1 131 . 16 1 1 A 20 20 LYS HA H 20 3.979 4.460 -0.481 1
1 132 . 16 1 1 A 20 20 LYS CB C 20 34.034 33.729 0.305 1
1 140 . 16 1 1 A 20 20 LYS C C 20 174.133 175.357 -1.224 1
1 145 . 16 1 1 A 21 21 ILE N N 21 120.927 127.981 -7.054 1
1 146 . 16 1 1 A 21 21 ILE H H 21 7.770 8.258 -0.488 1
1 147 . 16 1 1 A 21 21 ILE CA C 21 60.180 60.375 -0.195 1
1 148 . 16 1 1 A 21 21 ILE HA H 21 4.452 4.446 0.006 1
1 149 . 16 1 1 A 21 21 ILE CB C 21 39.694 38.081 1.613 1
1 161 . 16 1 1 A 21 21 ILE C C 21 175.461 174.991 0.470 1
1 163 . 16 1 1 A 22 22 PHE N N 22 123.258 124.775 -1.517 1
1 164 . 16 1 1 A 22 22 PHE H H 22 8.648 8.705 -0.057 1
1 165 . 16 1 1 A 22 22 PHE CA C 22 56.828 56.321 0.507 1
1 166 . 16 1 1 A 22 22 PHE HA H 22 4.710 4.906 -0.196 1
1 167 . 16 1 1 A 22 22 PHE CB C 22 43.452 41.845 1.607 1
1 179 . 16 1 1 A 22 22 PHE C C 22 176.151 175.680 0.471 1
1 181 . 16 1 1 A 23 23 ARG N N 23 119.153 125.544 -6.391 1
1 182 . 16 1 1 A 23 23 ARG H H 23 9.094 8.946 0.148 1
1 183 . 16 1 1 A 23 23 ARG CA C 23 57.288 59.715 -2.427 1
1 184 . 16 1 1 A 23 23 ARG HA H 23 4.241 3.983 0.258 1
1 185 . 16 1 1 A 23 23 ARG CB C 23 30.571 30.484 0.087 1
1 191 . 16 1 1 A 23 23 ARG C C 23 174.928 176.020 -1.092 1
1 195 . 16 1 1 A 24 24 HIS N N 24 113.877 113.724 0.153 1
1 196 . 16 1 1 A 24 24 HIS H H 24 7.141 7.515 -0.374 1
1 197 . 16 1 1 A 24 24 HIS CA C 24 56.129 53.921 2.208 1
1 198 . 16 1 1 A 24 24 HIS HA H 24 4.863 4.912 -0.049 1
1 199 . 16 1 1 A 24 24 HIS CB C 24 34.501 32.338 2.163 1
1 205 . 16 1 1 A 24 24 HIS C C 24 176.303 176.086 0.217 1
1 207 . 16 1 1 A 25 25 SER CA C 25 61.779 61.552 0.227 1
1 208 . 16 1 1 A 25 25 SER HA H 25 4.060 4.053 0.007 1
1 209 . 16 1 1 A 25 25 SER CB C 25 62.462 62.625 -0.163 1
1 212 . 16 1 1 A 26 26 SER N N 26 119.893 117.077 2.816 1
1 213 . 16 1 1 A 26 26 SER H H 26 9.650 8.327 1.323 1
1 214 . 16 1 1 A 26 26 SER CA C 26 61.866 62.564 -0.698 1
1 215 . 16 1 1 A 26 26 SER HA H 26 3.950 4.141 -0.191 1
1 216 . 16 1 1 A 26 26 SER CB C 26 61.788 62.789 -1.001 1
1 218 . 16 1 1 A 26 26 SER C C 26 176.964 176.564 0.400 1
1 220 . 16 1 1 A 27 27 LEU N N 27 121.674 120.637 1.037 1
1 221 . 16 1 1 A 27 27 LEU H H 27 7.141 7.626 -0.485 1
1 222 . 16 1 1 A 27 27 LEU CA C 27 56.669 57.927 -1.258 1
1 223 . 16 1 1 A 27 27 LEU HA H 27 4.170 3.811 0.359 1
1 224 . 16 1 1 A 27 27 LEU CB C 27 41.962 41.470 0.492 1
1 236 . 16 1 1 A 27 27 LEU C C 27 179.312 178.929 0.383 1
1 238 . 16 1 1 A 28 28 LEU N N 28 121.976 119.341 2.635 1
1 239 . 16 1 1 A 28 28 LEU H H 28 7.075 7.906 -0.831 1
1 240 . 16 1 1 A 28 28 LEU CA C 28 57.616 57.402 0.214 1
1 241 . 16 1 1 A 28 28 LEU HA H 28 3.216 2.729 0.487 1
1 242 . 16 1 1 A 28 28 LEU CB C 28 40.475 41.481 -1.006 1
1 254 . 16 1 1 A 28 28 LEU C C 28 177.651 178.401 -0.750 1
1 256 . 16 1 1 A 29 29 ILE N N 29 119.789 119.247 0.542 1
1 257 . 16 1 1 A 29 29 ILE H H 29 7.956 8.310 -0.354 1
1 258 . 16 1 1 A 29 29 ILE CA C 29 64.818 65.313 -0.495 1
1 259 . 16 1 1 A 29 29 ILE HA H 29 3.770 3.481 0.289 1
1 260 . 16 1 1 A 29 29 ILE CB C 29 37.729 37.702 0.027 1
1 272 . 16 1 1 A 29 29 ILE C C 29 179.269 178.035 1.234 1
1 274 . 16 1 1 A 30 30 GLU N N 30 119.089 119.519 -0.430 1
1 275 . 16 1 1 A 30 30 GLU H H 30 7.425 7.970 -0.545 1
1 276 . 16 1 1 A 30 30 GLU CA C 30 59.239 59.410 -0.171 1
1 277 . 16 1 1 A 30 30 GLU HA H 30 4.030 3.957 0.073 1
1 278 . 16 1 1 A 30 30 GLU CB C 30 29.976 29.285 0.691 1
1 282 . 16 1 1 A 30 30 GLU C C 30 178.534 178.567 -0.033 1
1 285 . 16 1 1 A 31 31 HIS N N 31 118.679 120.493 -1.814 1
1 286 . 16 1 1 A 31 31 HIS H H 31 7.493 7.717 -0.224 1
1 287 . 16 1 1 A 31 31 HIS CA C 31 58.956 59.435 -0.479 1
1 288 . 16 1 1 A 31 31 HIS HA H 31 4.224 4.142 0.082 1
1 289 . 16 1 1 A 31 31 HIS CB C 31 28.605 29.503 -0.898 1
1 295 . 16 1 1 A 31 31 HIS C C 31 176.314 177.169 -0.855 1
1 297 . 16 1 1 A 32 32 GLN N N 32 116.911 117.740 -0.829 1
1 298 . 16 1 1 A 32 32 GLN H H 32 8.454 8.626 -0.172 1
1 299 . 16 1 1 A 32 32 GLN CA C 32 59.194 59.069 0.125 1
1 300 . 16 1 1 A 32 32 GLN HA H 32 3.772 3.882 -0.110 1
1 301 . 16 1 1 A 32 32 GLN CB C 32 28.057 28.210 -0.153 1
1 308 . 16 1 1 A 32 32 GLN C C 32 178.135 178.072 0.063 1
1 311 . 16 1 1 A 33 33 ALA N N 33 121.580 121.633 -0.053 1
1 312 . 16 1 1 A 33 33 ALA H H 33 7.279 7.589 -0.310 1
1 313 . 16 1 1 A 33 33 ALA CA C 33 54.593 54.922 -0.329 1
1 314 . 16 1 1 A 33 33 ALA HA H 33 4.163 4.048 0.115 1
1 315 . 16 1 1 A 33 33 ALA CB C 33 18.182 18.461 -0.279 1
1 319 . 16 1 1 A 33 33 ALA C C 33 179.581 179.827 -0.246 1
1 320 . 16 1 1 A 34 34 LEU N N 34 117.524 116.834 0.690 1
1 321 . 16 1 1 A 34 34 LEU H H 34 7.733 7.531 0.202 1
1 322 . 16 1 1 A 34 34 LEU CA C 34 56.653 57.937 -1.284 1
1 323 . 16 1 1 A 34 34 LEU HA H 34 4.058 3.883 0.175 1
1 324 . 16 1 1 A 34 34 LEU CB C 34 41.217 41.220 -0.003 1
1 336 . 16 1 1 A 34 34 LEU C C 34 179.011 178.745 0.266 1
1 338 . 16 1 1 A 35 35 HIS N N 35 115.390 118.616 -3.226 1
1 339 . 16 1 1 A 35 35 HIS H H 35 7.175 8.257 -1.082 1
1 340 . 16 1 1 A 35 35 HIS CA C 35 55.525 59.625 -4.100 1
1 341 . 16 1 1 A 35 35 HIS HA H 35 4.738 4.329 0.409 1
1 342 . 16 1 1 A 35 35 HIS CB C 35 28.715 29.276 -0.561 1
1 348 . 16 1 1 A 35 35 HIS C C 35 175.385 177.661 -2.276 1
1 350 . 16 1 1 A 36 36 ALA N N 36 122.651 121.856 0.795 1
1 351 . 16 1 1 A 36 36 ALA H H 36 7.634 8.120 -0.486 1
1 352 . 16 1 1 A 36 36 ALA CA C 36 53.281 55.333 -2.052 1
1 353 . 16 1 1 A 36 36 ALA HA H 36 4.328 3.959 0.369 1
1 354 . 16 1 1 A 36 36 ALA CB C 36 19.154 18.390 0.764 1
1 358 . 16 1 1 A 36 36 ALA C C 36 178.273 179.834 -1.561 1
1 359 . 16 1 1 A 37 37 GLY N N 37 107.266 107.075 0.191 1
1 360 . 16 1 1 A 37 37 GLY H H 37 8.163 7.656 0.507 1
1 361 . 16 1 1 A 37 37 GLY CA C 37 45.358 44.515 0.843 1
1 362 . 16 1 1 A 37 37 GLY HA3 H 37 3.964 4.068 -0.104 1
1 363 . 16 1 1 A 37 37 GLY C C 37 174.369 173.621 0.748 1
1 364 . 16 1 1 A 37 37 GLY HA2 H 37 4.027 4.062 -0.035 1
1 365 . 16 1 1 A 38 38 GLU N N 38 120.486 122.717 -2.231 1
1 366 . 16 1 1 A 38 38 GLU H H 38 8.160 8.414 -0.254 1
1 367 . 16 1 1 A 38 38 GLU CA C 38 56.658 55.269 1.389 1
1 368 . 16 1 1 A 38 38 GLU HA H 38 4.357 4.458 -0.101 1
1 369 . 16 1 1 A 38 38 GLU CB C 38 30.381 27.968 2.413 1
1 373 . 16 1 1 A 38 38 GLU C C 38 176.730 175.159 1.571 1
1 376 . 16 1 1 A 39 39 SER N N 39 116.555 117.720 -1.165 1
1 377 . 16 1 1 A 39 39 SER H H 39 8.391 7.726 0.665 1
1 378 . 16 1 1 A 39 39 SER CA C 39 58.397 58.076 0.321 1
1 379 . 16 1 1 A 39 39 SER HA H 39 4.515 5.024 -0.509 1
1 380 . 16 1 1 A 39 39 SER CB C 39 63.960 63.094 0.866 1
1 382 . 16 1 1 A 39 39 SER C C 39 174.602 173.549 1.053 1
1 384 . 16 1 1 A 40 40 GLY N N 40 110.681 113.089 -2.408 1
1 385 . 16 1 1 A 40 40 GLY H H 40 8.239 8.693 -0.454 1
1 386 . 16 1 1 A 40 40 GLY CA C 40 44.666 44.602 0.064 1
1 387 . 16 1 1 A 40 40 GLY HA3 H 40 4.087 4.373 -0.286 1
1 388 . 16 1 1 A 40 40 GLY C C 40 171.769 171.861 -0.092 1
1 389 . 16 1 1 A 40 40 GLY HA2 H 40 4.185 4.369 -0.184 1
1 390 . 16 1 1 A 41 41 PRO CA C 41 63.229 62.550 0.679 1
1 391 . 16 1 1 A 41 41 PRO HA H 41 4.489 4.664 -0.175 1
1 392 . 16 1 1 A 41 41 PRO CB C 41 32.192 32.969 -0.777 1
1 398 . 16 1 1 A 41 41 PRO C C 41 177.375 176.362 1.013 1
1 402 . 16 1 1 A 42 42 SER N N 42 116.504 117.815 -1.311 1
1 403 . 16 1 1 A 42 42 SER H H 42 8.544 8.510 0.034 1
1 404 . 16 1 1 A 42 42 SER CA C 42 58.364 57.591 0.773 1
1 405 . 16 1 1 A 42 42 SER HA H 42 4.470 4.557 -0.087 1
1 406 . 16 1 1 A 42 42 SER CB C 42 64.062 62.220 1.842 1
1 408 . 16 1 1 A 42 42 SER C C 42 174.704 173.268 1.436 1
1 410 . 16 1 1 A 43 43 SER N N 43 117.992 122.503 -4.511 1
1 411 . 16 1 1 A 43 43 SER H H 43 8.358 8.572 -0.214 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.366 46.558 -1.192 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.975 3.957 0.018 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.840 174.599 -0.759 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 3.975 3.953 0.022 1
1 5 . 17 1 1 A 8 8 ALA N N 8 123.813 122.309 1.504 1
1 6 . 17 1 1 A 8 8 ALA H H 8 8.108 7.878 0.230 1
1 7 . 17 1 1 A 8 8 ALA CA C 8 52.400 52.355 0.045 1
1 8 . 17 1 1 A 8 8 ALA HA H 8 4.317 4.286 0.031 1
1 9 . 17 1 1 A 8 8 ALA CB C 8 19.299 20.171 -0.872 1
1 13 . 17 1 1 A 8 8 ALA C C 8 177.523 177.121 0.402 1
1 14 . 17 1 1 A 9 9 ALA N N 9 123.426 122.542 0.884 1
1 15 . 17 1 1 A 9 9 ALA H H 9 8.272 8.229 0.043 1
1 16 . 17 1 1 A 9 9 ALA CA C 9 52.433 52.779 -0.346 1
1 17 . 17 1 1 A 9 9 ALA HA H 9 4.313 4.325 -0.012 1
1 18 . 17 1 1 A 9 9 ALA CB C 9 19.254 18.595 0.659 1
1 22 . 17 1 1 A 9 9 ALA C C 9 177.795 177.538 0.257 1
1 23 . 17 1 1 A 10 10 LYS N N 10 120.933 122.792 -1.859 1
1 24 . 17 1 1 A 10 10 LYS H H 10 8.368 8.125 0.243 1
1 25 . 17 1 1 A 10 10 LYS CA C 10 56.323 55.733 0.590 1
1 26 . 17 1 1 A 10 10 LYS HA H 10 4.427 4.588 -0.161 1
1 27 . 17 1 1 A 10 10 LYS CB C 10 33.105 36.523 -3.418 1
1 35 . 17 1 1 A 10 10 LYS C C 10 176.978 174.303 2.675 1
1 40 . 17 1 1 A 11 11 THR N N 11 114.437 116.391 -1.954 1
1 41 . 17 1 1 A 11 11 THR H H 11 8.308 8.470 -0.162 1
1 42 . 17 1 1 A 11 11 THR CA C 11 61.617 61.575 0.042 1
1 43 . 17 1 1 A 11 11 THR HA H 11 4.472 4.557 -0.085 1
1 44 . 17 1 1 A 11 11 THR CB C 11 69.821 68.093 1.728 1
1 50 . 17 1 1 A 11 11 THR C C 11 174.562 174.348 0.214 1
1 51 . 17 1 1 A 12 12 THR N N 12 114.598 121.011 -6.413 1
1 52 . 17 1 1 A 12 12 THR H H 12 7.915 8.473 -0.558 1
1 53 . 17 1 1 A 12 12 THR CA C 12 61.451 60.478 0.973 1
1 54 . 17 1 1 A 12 12 THR HA H 12 4.492 5.035 -0.543 1
1 55 . 17 1 1 A 12 12 THR CB C 12 70.427 72.641 -2.214 1
1 61 . 17 1 1 A 12 12 THR C C 12 174.236 173.882 0.354 1
1 62 . 17 1 1 A 13 13 SER N N 13 117.902 121.473 -3.571 1
1 63 . 17 1 1 A 13 13 SER H H 13 8.580 8.593 -0.013 1
1 64 . 17 1 1 A 13 13 SER CA C 13 58.138 57.969 0.169 1
1 65 . 17 1 1 A 13 13 SER HA H 13 4.684 4.616 0.068 1
1 66 . 17 1 1 A 13 13 SER CB C 13 65.065 61.427 3.638 1
1 68 . 17 1 1 A 13 13 SER C C 13 172.108 173.609 -1.501 1
1 70 . 17 1 1 A 14 14 GLU N N 14 124.193 124.308 -0.115 1
1 71 . 17 1 1 A 14 14 GLU H H 14 8.386 8.826 -0.440 1
1 72 . 17 1 1 A 14 14 GLU CA C 14 54.181 56.529 -2.348 1
1 73 . 17 1 1 A 14 14 GLU HA H 14 5.048 4.895 0.153 1
1 74 . 17 1 1 A 14 14 GLU CB C 14 33.085 30.909 2.176 1
1 78 . 17 1 1 A 14 14 GLU C C 14 175.059 176.337 -1.278 1
1 81 . 17 1 1 A 15 15 CYS N N 15 126.927 124.899 2.028 1
1 82 . 17 1 1 A 15 15 CYS H H 15 9.263 9.174 0.089 1
1 83 . 17 1 1 A 15 15 CYS CA C 15 59.573 58.701 0.872 1
1 84 . 17 1 1 A 15 15 CYS HA H 15 4.562 4.575 -0.013 1
1 85 . 17 1 1 A 15 15 CYS CB C 15 29.667 28.031 1.636 1
1 87 . 17 1 1 A 15 15 CYS C C 15 177.427 176.016 1.411 1
1 89 . 17 1 1 A 16 16 GLN N N 16 131.467 126.856 4.611 1
1 90 . 17 1 1 A 16 16 GLN H H 16 9.521 8.752 0.769 1
1 91 . 17 1 1 A 16 16 GLN CA C 16 57.973 58.118 -0.145 1
1 92 . 17 1 1 A 16 16 GLN HA H 16 4.175 4.088 0.087 1
1 93 . 17 1 1 A 16 16 GLN CB C 16 28.562 27.883 0.679 1
1 100 . 17 1 1 A 16 16 GLN C C 16 176.140 177.883 -1.743 1
1 103 . 17 1 1 A 17 17 GLU N N 17 120.316 118.440 1.876 1
1 104 . 17 1 1 A 17 17 GLU H H 17 8.682 8.060 0.622 1
1 105 . 17 1 1 A 17 17 GLU CA C 17 58.362 59.038 -0.676 1
1 106 . 17 1 1 A 17 17 GLU HA H 17 4.233 4.033 0.200 1
1 107 . 17 1 1 A 17 17 GLU CB C 17 29.552 29.547 0.005 1
1 111 . 17 1 1 A 17 17 GLU C C 17 177.303 178.116 -0.813 1
1 114 . 17 1 1 A 18 18 CYS N N 18 114.810 115.037 -0.227 1
1 115 . 17 1 1 A 18 18 CYS H H 18 8.042 8.025 0.017 1
1 116 . 17 1 1 A 18 18 CYS CA C 18 58.513 59.431 -0.918 1
1 117 . 17 1 1 A 18 18 CYS HA H 18 5.154 4.724 0.430 1
1 118 . 17 1 1 A 18 18 CYS CB C 18 32.408 30.280 2.128 1
1 120 . 17 1 1 A 18 18 CYS C C 18 176.323 175.635 0.688 1
1 122 . 17 1 1 A 19 19 GLY N N 19 113.476 110.113 3.363 1
1 123 . 17 1 1 A 19 19 GLY H H 19 8.183 8.546 -0.363 1
1 124 . 17 1 1 A 19 19 GLY CA C 19 46.149 45.466 0.683 1
1 125 . 17 1 1 A 19 19 GLY HA3 H 19 4.200 4.039 0.161 1
1 126 . 17 1 1 A 19 19 GLY C C 19 173.814 174.323 -0.509 1
1 127 . 17 1 1 A 19 19 GLY HA2 H 19 3.921 4.034 -0.113 1
1 128 . 17 1 1 A 20 20 LYS N N 20 122.183 120.304 1.879 1
1 129 . 17 1 1 A 20 20 LYS H H 20 7.830 7.705 0.125 1
1 130 . 17 1 1 A 20 20 LYS CA C 20 58.063 54.610 3.453 1
1 131 . 17 1 1 A 20 20 LYS HA H 20 3.979 4.502 -0.523 1
1 132 . 17 1 1 A 20 20 LYS CB C 20 34.034 34.253 -0.219 1
1 140 . 17 1 1 A 20 20 LYS C C 20 174.133 175.152 -1.019 1
1 145 . 17 1 1 A 21 21 ILE N N 21 120.927 127.994 -7.067 1
1 146 . 17 1 1 A 21 21 ILE H H 21 7.770 8.398 -0.628 1
1 147 . 17 1 1 A 21 21 ILE CA C 21 60.180 60.760 -0.580 1
1 148 . 17 1 1 A 21 21 ILE HA H 21 4.452 4.287 0.165 1
1 149 . 17 1 1 A 21 21 ILE CB C 21 39.694 37.824 1.870 1
1 161 . 17 1 1 A 21 21 ILE C C 21 175.461 175.071 0.390 1
1 163 . 17 1 1 A 22 22 PHE N N 22 123.258 124.953 -1.695 1
1 164 . 17 1 1 A 22 22 PHE H H 22 8.648 8.707 -0.059 1
1 165 . 17 1 1 A 22 22 PHE CA C 22 56.828 56.482 0.346 1
1 166 . 17 1 1 A 22 22 PHE HA H 22 4.710 4.843 -0.133 1
1 167 . 17 1 1 A 22 22 PHE CB C 22 43.452 41.899 1.553 1
1 179 . 17 1 1 A 22 22 PHE C C 22 176.151 175.728 0.423 1
1 181 . 17 1 1 A 23 23 ARG N N 23 119.153 125.765 -6.612 1
1 182 . 17 1 1 A 23 23 ARG H H 23 9.094 8.940 0.154 1
1 183 . 17 1 1 A 23 23 ARG CA C 23 57.288 59.726 -2.438 1
1 184 . 17 1 1 A 23 23 ARG HA H 23 4.241 3.965 0.276 1
1 185 . 17 1 1 A 23 23 ARG CB C 23 30.571 30.411 0.160 1
1 191 . 17 1 1 A 23 23 ARG C C 23 174.928 176.015 -1.087 1
1 195 . 17 1 1 A 24 24 HIS N N 24 113.877 113.708 0.169 1
1 196 . 17 1 1 A 24 24 HIS H H 24 7.141 7.468 -0.327 1
1 197 . 17 1 1 A 24 24 HIS CA C 24 56.129 53.714 2.415 1
1 198 . 17 1 1 A 24 24 HIS HA H 24 4.863 4.893 -0.030 1
1 199 . 17 1 1 A 24 24 HIS CB C 24 34.501 32.189 2.312 1
1 205 . 17 1 1 A 24 24 HIS C C 24 176.303 176.075 0.228 1
1 207 . 17 1 1 A 25 25 SER CA C 25 61.779 61.553 0.226 1
1 208 . 17 1 1 A 25 25 SER HA H 25 4.060 4.049 0.011 1
1 209 . 17 1 1 A 25 25 SER CB C 25 62.462 62.599 -0.137 1
1 212 . 17 1 1 A 26 26 SER N N 26 119.893 116.822 3.071 1
1 213 . 17 1 1 A 26 26 SER H H 26 9.650 8.265 1.385 1
1 214 . 17 1 1 A 26 26 SER CA C 26 61.866 62.577 -0.711 1
1 215 . 17 1 1 A 26 26 SER HA H 26 3.950 4.147 -0.197 1
1 216 . 17 1 1 A 26 26 SER CB C 26 61.788 62.804 -1.016 1
1 218 . 17 1 1 A 26 26 SER C C 26 176.964 176.518 0.446 1
1 220 . 17 1 1 A 27 27 LEU N N 27 121.674 120.404 1.270 1
1 221 . 17 1 1 A 27 27 LEU H H 27 7.141 7.633 -0.492 1
1 222 . 17 1 1 A 27 27 LEU CA C 27 56.669 57.996 -1.327 1
1 223 . 17 1 1 A 27 27 LEU HA H 27 4.170 3.781 0.389 1
1 224 . 17 1 1 A 27 27 LEU CB C 27 41.962 41.519 0.443 1
1 236 . 17 1 1 A 27 27 LEU C C 27 179.312 178.806 0.506 1
1 238 . 17 1 1 A 28 28 LEU N N 28 121.976 119.034 2.942 1
1 239 . 17 1 1 A 28 28 LEU H H 28 7.075 7.902 -0.827 1
1 240 . 17 1 1 A 28 28 LEU CA C 28 57.616 57.493 0.123 1
1 241 . 17 1 1 A 28 28 LEU HA H 28 3.216 2.739 0.477 1
1 242 . 17 1 1 A 28 28 LEU CB C 28 40.475 41.405 -0.930 1
1 254 . 17 1 1 A 28 28 LEU C C 28 177.651 178.410 -0.759 1
1 256 . 17 1 1 A 29 29 ILE N N 29 119.789 119.388 0.401 1
1 257 . 17 1 1 A 29 29 ILE H H 29 7.956 8.207 -0.251 1
1 258 . 17 1 1 A 29 29 ILE CA C 29 64.818 64.894 -0.076 1
1 259 . 17 1 1 A 29 29 ILE HA H 29 3.770 3.517 0.253 1
1 260 . 17 1 1 A 29 29 ILE CB C 29 37.729 37.542 0.187 1
1 272 . 17 1 1 A 29 29 ILE C C 29 179.269 178.345 0.924 1
1 274 . 17 1 1 A 30 30 GLU N N 30 119.089 120.390 -1.301 1
1 275 . 17 1 1 A 30 30 GLU H H 30 7.425 7.929 -0.504 1
1 276 . 17 1 1 A 30 30 GLU CA C 30 59.239 59.192 0.047 1
1 277 . 17 1 1 A 30 30 GLU HA H 30 4.030 4.033 -0.003 1
1 278 . 17 1 1 A 30 30 GLU CB C 30 29.976 29.314 0.662 1
1 282 . 17 1 1 A 30 30 GLU C C 30 178.534 178.706 -0.172 1
1 285 . 17 1 1 A 31 31 HIS N N 31 118.679 121.295 -2.616 1
1 286 . 17 1 1 A 31 31 HIS H H 31 7.493 7.741 -0.248 1
1 287 . 17 1 1 A 31 31 HIS CA C 31 58.956 59.208 -0.252 1
1 288 . 17 1 1 A 31 31 HIS HA H 31 4.224 4.163 0.061 1
1 289 . 17 1 1 A 31 31 HIS CB C 31 28.605 29.704 -1.099 1
1 295 . 17 1 1 A 31 31 HIS C C 31 176.314 177.376 -1.062 1
1 297 . 17 1 1 A 32 32 GLN N N 32 116.911 117.693 -0.782 1
1 298 . 17 1 1 A 32 32 GLN H H 32 8.454 8.634 -0.180 1
1 299 . 17 1 1 A 32 32 GLN CA C 32 59.194 59.047 0.147 1
1 300 . 17 1 1 A 32 32 GLN HA H 32 3.772 3.968 -0.196 1
1 301 . 17 1 1 A 32 32 GLN CB C 32 28.057 28.140 -0.083 1
1 308 . 17 1 1 A 32 32 GLN C C 32 178.135 178.355 -0.220 1
1 311 . 17 1 1 A 33 33 ALA N N 33 121.580 121.642 -0.062 1
1 312 . 17 1 1 A 33 33 ALA H H 33 7.279 7.891 -0.612 1
1 313 . 17 1 1 A 33 33 ALA CA C 33 54.593 54.932 -0.339 1
1 314 . 17 1 1 A 33 33 ALA HA H 33 4.163 4.047 0.116 1
1 315 . 17 1 1 A 33 33 ALA CB C 33 18.182 18.453 -0.271 1
1 319 . 17 1 1 A 33 33 ALA C C 33 179.581 179.496 0.085 1
1 320 . 17 1 1 A 34 34 LEU N N 34 117.524 116.821 0.703 1
1 321 . 17 1 1 A 34 34 LEU H H 34 7.733 7.660 0.073 1
1 322 . 17 1 1 A 34 34 LEU CA C 34 56.653 57.933 -1.280 1
1 323 . 17 1 1 A 34 34 LEU HA H 34 4.058 3.884 0.174 1
1 324 . 17 1 1 A 34 34 LEU CB C 34 41.217 41.220 -0.003 1
1 336 . 17 1 1 A 34 34 LEU C C 34 179.011 178.610 0.401 1
1 338 . 17 1 1 A 35 35 HIS N N 35 115.390 118.053 -2.663 1
1 339 . 17 1 1 A 35 35 HIS H H 35 7.175 7.534 -0.359 1
1 340 . 17 1 1 A 35 35 HIS CA C 35 55.525 59.029 -3.504 1
1 341 . 17 1 1 A 35 35 HIS HA H 35 4.738 4.381 0.357 1
1 342 . 17 1 1 A 35 35 HIS CB C 35 28.715 29.348 -0.633 1
1 348 . 17 1 1 A 35 35 HIS C C 35 175.385 176.568 -1.183 1
1 350 . 17 1 1 A 36 36 ALA N N 36 122.651 119.404 3.247 1
1 351 . 17 1 1 A 36 36 ALA H H 36 7.634 7.394 0.240 1
1 352 . 17 1 1 A 36 36 ALA CA C 36 53.281 52.344 0.937 1
1 353 . 17 1 1 A 36 36 ALA HA H 36 4.328 4.122 0.206 1
1 354 . 17 1 1 A 36 36 ALA CB C 36 19.154 18.339 0.815 1
1 358 . 17 1 1 A 36 36 ALA C C 36 178.273 177.320 0.953 1
1 359 . 17 1 1 A 37 37 GLY N N 37 107.266 109.931 -2.665 1
1 360 . 17 1 1 A 37 37 GLY H H 37 8.163 7.954 0.209 1
1 361 . 17 1 1 A 37 37 GLY CA C 37 45.358 46.238 -0.880 1
1 362 . 17 1 1 A 37 37 GLY HA3 H 37 3.964 4.170 -0.206 1
1 363 . 17 1 1 A 37 37 GLY C C 37 174.369 172.028 2.341 1
1 364 . 17 1 1 A 37 37 GLY HA2 H 37 4.027 4.168 -0.141 1
1 365 . 17 1 1 A 38 38 GLU N N 38 120.486 125.342 -4.856 1
1 366 . 17 1 1 A 38 38 GLU H H 38 8.160 8.389 -0.229 1
1 367 . 17 1 1 A 38 38 GLU CA C 38 56.658 56.857 -0.199 1
1 368 . 17 1 1 A 38 38 GLU HA H 38 4.357 4.300 0.057 1
1 369 . 17 1 1 A 38 38 GLU CB C 38 30.381 29.761 0.620 1
1 373 . 17 1 1 A 38 38 GLU C C 38 176.730 176.378 0.352 1
1 376 . 17 1 1 A 39 39 SER N N 39 116.555 123.543 -6.988 1
1 377 . 17 1 1 A 39 39 SER H H 39 8.391 8.578 -0.187 1
1 378 . 17 1 1 A 39 39 SER CA C 39 58.397 60.121 -1.724 1
1 379 . 17 1 1 A 39 39 SER HA H 39 4.515 4.185 0.330 1
1 380 . 17 1 1 A 39 39 SER CB C 39 63.960 63.865 0.095 1
1 382 . 17 1 1 A 39 39 SER C C 39 174.602 174.702 -0.100 1
1 384 . 17 1 1 A 40 40 GLY N N 40 110.681 106.991 3.690 1
1 385 . 17 1 1 A 40 40 GLY H H 40 8.239 7.533 0.706 1
1 386 . 17 1 1 A 40 40 GLY CA C 40 44.666 44.490 0.176 1
1 387 . 17 1 1 A 40 40 GLY HA3 H 40 4.087 4.058 0.029 1
1 388 . 17 1 1 A 40 40 GLY C C 40 171.769 172.588 -0.819 1
1 389 . 17 1 1 A 40 40 GLY HA2 H 40 4.185 4.057 0.128 1
1 390 . 17 1 1 A 41 41 PRO CA C 41 63.229 62.930 0.299 1
1 391 . 17 1 1 A 41 41 PRO HA H 41 4.489 4.377 0.112 1
1 392 . 17 1 1 A 41 41 PRO CB C 41 32.192 32.645 -0.453 1
1 398 . 17 1 1 A 41 41 PRO C C 41 177.375 176.795 0.580 1
1 402 . 17 1 1 A 42 42 SER N N 42 116.504 112.412 4.092 1
1 403 . 17 1 1 A 42 42 SER H H 42 8.544 8.627 -0.083 1
1 404 . 17 1 1 A 42 42 SER CA C 42 58.364 58.833 -0.469 1
1 405 . 17 1 1 A 42 42 SER HA H 42 4.470 4.000 0.470 1
1 406 . 17 1 1 A 42 42 SER CB C 42 64.062 61.824 2.238 1
1 408 . 17 1 1 A 42 42 SER C C 42 174.704 174.159 0.545 1
1 410 . 17 1 1 A 43 43 SER N N 43 117.992 114.467 3.525 1
1 411 . 17 1 1 A 43 43 SER H H 43 8.358 8.067 0.291 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.366 44.818 0.548 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.975 4.113 -0.138 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.840 174.409 -0.569 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 3.975 4.111 -0.136 1
1 5 . 18 1 1 A 8 8 ALA N N 8 123.813 122.900 0.913 1
1 6 . 18 1 1 A 8 8 ALA H H 8 8.108 8.403 -0.295 1
1 7 . 18 1 1 A 8 8 ALA CA C 8 52.400 53.062 -0.662 1
1 8 . 18 1 1 A 8 8 ALA HA H 8 4.317 4.382 -0.065 1
1 9 . 18 1 1 A 8 8 ALA CB C 8 19.299 20.042 -0.743 1
1 13 . 18 1 1 A 8 8 ALA C C 8 177.523 177.685 -0.162 1
1 14 . 18 1 1 A 9 9 ALA N N 9 123.426 119.247 4.179 1
1 15 . 18 1 1 A 9 9 ALA H H 9 8.272 7.527 0.745 1
1 16 . 18 1 1 A 9 9 ALA CA C 9 52.433 52.468 -0.035 1
1 17 . 18 1 1 A 9 9 ALA HA H 9 4.313 4.163 0.150 1
1 18 . 18 1 1 A 9 9 ALA CB C 9 19.254 18.980 0.274 1
1 22 . 18 1 1 A 9 9 ALA C C 9 177.795 177.927 -0.132 1
1 23 . 18 1 1 A 10 10 LYS N N 10 120.933 125.495 -4.562 1
1 24 . 18 1 1 A 10 10 LYS H H 10 8.368 8.504 -0.136 1
1 25 . 18 1 1 A 10 10 LYS CA C 10 56.323 59.572 -3.249 1
1 26 . 18 1 1 A 10 10 LYS HA H 10 4.427 4.054 0.373 1
1 27 . 18 1 1 A 10 10 LYS CB C 10 33.105 32.367 0.738 1
1 35 . 18 1 1 A 10 10 LYS C C 10 176.978 177.942 -0.964 1
1 40 . 18 1 1 A 11 11 THR N N 11 114.437 110.255 4.182 1
1 41 . 18 1 1 A 11 11 THR H H 11 8.308 7.701 0.607 1
1 42 . 18 1 1 A 11 11 THR CA C 11 61.617 61.670 -0.053 1
1 43 . 18 1 1 A 11 11 THR HA H 11 4.472 4.404 0.068 1
1 44 . 18 1 1 A 11 11 THR CB C 11 69.821 68.057 1.764 1
1 50 . 18 1 1 A 11 11 THR C C 11 174.562 174.742 -0.180 1
1 51 . 18 1 1 A 12 12 THR N N 12 114.598 119.949 -5.351 1
1 52 . 18 1 1 A 12 12 THR H H 12 7.915 8.381 -0.466 1
1 53 . 18 1 1 A 12 12 THR CA C 12 61.451 61.398 0.053 1
1 54 . 18 1 1 A 12 12 THR HA H 12 4.492 4.806 -0.314 1
1 55 . 18 1 1 A 12 12 THR CB C 12 70.427 72.753 -2.326 1
1 61 . 18 1 1 A 12 12 THR C C 12 174.236 173.587 0.649 1
1 62 . 18 1 1 A 13 13 SER N N 13 117.902 121.162 -3.260 1
1 63 . 18 1 1 A 13 13 SER H H 13 8.580 8.665 -0.085 1
1 64 . 18 1 1 A 13 13 SER CA C 13 58.138 57.980 0.158 1
1 65 . 18 1 1 A 13 13 SER HA H 13 4.684 4.603 0.081 1
1 66 . 18 1 1 A 13 13 SER CB C 13 65.065 61.449 3.616 1
1 68 . 18 1 1 A 13 13 SER C C 13 172.108 173.668 -1.560 1
1 70 . 18 1 1 A 14 14 GLU N N 14 124.193 124.563 -0.370 1
1 71 . 18 1 1 A 14 14 GLU H H 14 8.386 9.020 -0.634 1
1 72 . 18 1 1 A 14 14 GLU CA C 14 54.181 56.545 -2.364 1
1 73 . 18 1 1 A 14 14 GLU HA H 14 5.048 4.783 0.265 1
1 74 . 18 1 1 A 14 14 GLU CB C 14 33.085 31.061 2.024 1
1 78 . 18 1 1 A 14 14 GLU C C 14 175.059 175.934 -0.875 1
1 81 . 18 1 1 A 15 15 CYS N N 15 126.927 125.015 1.912 1
1 82 . 18 1 1 A 15 15 CYS H H 15 9.263 8.731 0.532 1
1 83 . 18 1 1 A 15 15 CYS CA C 15 59.573 58.108 1.465 1
1 84 . 18 1 1 A 15 15 CYS HA H 15 4.562 4.633 -0.071 1
1 85 . 18 1 1 A 15 15 CYS CB C 15 29.667 27.206 2.461 1
1 87 . 18 1 1 A 15 15 CYS C C 15 177.427 175.734 1.693 1
1 89 . 18 1 1 A 16 16 GLN N N 16 131.467 126.412 5.055 1
1 90 . 18 1 1 A 16 16 GLN H H 16 9.521 8.348 1.173 1
1 91 . 18 1 1 A 16 16 GLN CA C 16 57.973 58.328 -0.355 1
1 92 . 18 1 1 A 16 16 GLN HA H 16 4.175 4.041 0.134 1
1 93 . 18 1 1 A 16 16 GLN CB C 16 28.562 27.940 0.622 1
1 100 . 18 1 1 A 16 16 GLN C C 16 176.140 177.772 -1.632 1
1 103 . 18 1 1 A 17 17 GLU N N 17 120.316 118.830 1.486 1
1 104 . 18 1 1 A 17 17 GLU H H 17 8.682 8.463 0.219 1
1 105 . 18 1 1 A 17 17 GLU CA C 17 58.362 58.768 -0.406 1
1 106 . 18 1 1 A 17 17 GLU HA H 17 4.233 4.059 0.174 1
1 107 . 18 1 1 A 17 17 GLU CB C 17 29.552 29.050 0.502 1
1 111 . 18 1 1 A 17 17 GLU C C 17 177.303 178.079 -0.776 1
1 114 . 18 1 1 A 18 18 CYS N N 18 114.810 115.031 -0.221 1
1 115 . 18 1 1 A 18 18 CYS H H 18 8.042 7.630 0.412 1
1 116 . 18 1 1 A 18 18 CYS CA C 18 58.513 59.553 -1.040 1
1 117 . 18 1 1 A 18 18 CYS HA H 18 5.154 4.649 0.505 1
1 118 . 18 1 1 A 18 18 CYS CB C 18 32.408 29.819 2.589 1
1 120 . 18 1 1 A 18 18 CYS C C 18 176.323 175.353 0.970 1
1 122 . 18 1 1 A 19 19 GLY N N 19 113.476 110.123 3.353 1
1 123 . 18 1 1 A 19 19 GLY H H 19 8.183 8.551 -0.368 1
1 124 . 18 1 1 A 19 19 GLY CA C 19 46.149 45.400 0.749 1
1 125 . 18 1 1 A 19 19 GLY HA3 H 19 4.200 4.045 0.155 1
1 126 . 18 1 1 A 19 19 GLY C C 19 173.814 174.283 -0.469 1
1 127 . 18 1 1 A 19 19 GLY HA2 H 19 3.921 4.038 -0.117 1
1 128 . 18 1 1 A 20 20 LYS N N 20 122.183 120.418 1.765 1
1 129 . 18 1 1 A 20 20 LYS H H 20 7.830 7.742 0.088 1
1 130 . 18 1 1 A 20 20 LYS CA C 20 58.063 54.694 3.369 1
1 131 . 18 1 1 A 20 20 LYS HA H 20 3.979 4.483 -0.504 1
1 132 . 18 1 1 A 20 20 LYS CB C 20 34.034 34.200 -0.166 1
1 140 . 18 1 1 A 20 20 LYS C C 20 174.133 175.165 -1.032 1
1 145 . 18 1 1 A 21 21 ILE N N 21 120.927 127.855 -6.928 1
1 146 . 18 1 1 A 21 21 ILE H H 21 7.770 8.523 -0.753 1
1 147 . 18 1 1 A 21 21 ILE CA C 21 60.180 61.100 -0.920 1
1 148 . 18 1 1 A 21 21 ILE HA H 21 4.452 4.210 0.242 1
1 149 . 18 1 1 A 21 21 ILE CB C 21 39.694 37.883 1.811 1
1 161 . 18 1 1 A 21 21 ILE C C 21 175.461 175.352 0.109 1
1 163 . 18 1 1 A 22 22 PHE N N 22 123.258 124.874 -1.616 1
1 164 . 18 1 1 A 22 22 PHE H H 22 8.648 8.724 -0.076 1
1 165 . 18 1 1 A 22 22 PHE CA C 22 56.828 56.178 0.650 1
1 166 . 18 1 1 A 22 22 PHE HA H 22 4.710 4.899 -0.189 1
1 167 . 18 1 1 A 22 22 PHE CB C 22 43.452 42.205 1.247 1
1 179 . 18 1 1 A 22 22 PHE C C 22 176.151 175.751 0.400 1
1 181 . 18 1 1 A 23 23 ARG N N 23 119.153 125.046 -5.893 1
1 182 . 18 1 1 A 23 23 ARG H H 23 9.094 8.915 0.179 1
1 183 . 18 1 1 A 23 23 ARG CA C 23 57.288 59.642 -2.354 1
1 184 . 18 1 1 A 23 23 ARG HA H 23 4.241 3.999 0.242 1
1 185 . 18 1 1 A 23 23 ARG CB C 23 30.571 30.617 -0.046 1
1 191 . 18 1 1 A 23 23 ARG C C 23 174.928 175.971 -1.043 1
1 195 . 18 1 1 A 24 24 HIS N N 24 113.877 113.242 0.635 1
1 196 . 18 1 1 A 24 24 HIS H H 24 7.141 7.391 -0.250 1
1 197 . 18 1 1 A 24 24 HIS CA C 24 56.129 53.656 2.473 1
1 198 . 18 1 1 A 24 24 HIS HA H 24 4.863 4.909 -0.046 1
1 199 . 18 1 1 A 24 24 HIS CB C 24 34.501 32.594 1.907 1
1 205 . 18 1 1 A 24 24 HIS C C 24 176.303 175.932 0.371 1
1 207 . 18 1 1 A 25 25 SER CA C 25 61.779 62.559 -0.780 1
1 208 . 18 1 1 A 25 25 SER HA H 25 4.060 3.977 0.083 1
1 209 . 18 1 1 A 25 25 SER CB C 25 62.462 63.003 -0.541 1
1 212 . 18 1 1 A 26 26 SER N N 26 119.893 116.536 3.357 1
1 213 . 18 1 1 A 26 26 SER H H 26 9.650 8.396 1.254 1
1 214 . 18 1 1 A 26 26 SER CA C 26 61.866 62.486 -0.620 1
1 215 . 18 1 1 A 26 26 SER HA H 26 3.950 4.144 -0.194 1
1 216 . 18 1 1 A 26 26 SER CB C 26 61.788 62.746 -0.958 1
1 218 . 18 1 1 A 26 26 SER C C 26 176.964 176.448 0.516 1
1 220 . 18 1 1 A 27 27 LEU N N 27 121.674 120.675 0.999 1
1 221 . 18 1 1 A 27 27 LEU H H 27 7.141 7.862 -0.721 1
1 222 . 18 1 1 A 27 27 LEU CA C 27 56.669 58.006 -1.337 1
1 223 . 18 1 1 A 27 27 LEU HA H 27 4.170 3.819 0.351 1
1 224 . 18 1 1 A 27 27 LEU CB C 27 41.962 41.440 0.522 1
1 236 . 18 1 1 A 27 27 LEU C C 27 179.312 178.953 0.359 1
1 238 . 18 1 1 A 28 28 LEU N N 28 121.976 119.286 2.690 1
1 239 . 18 1 1 A 28 28 LEU H H 28 7.075 7.844 -0.769 1
1 240 . 18 1 1 A 28 28 LEU CA C 28 57.616 57.359 0.257 1
1 241 . 18 1 1 A 28 28 LEU HA H 28 3.216 2.637 0.579 1
1 242 . 18 1 1 A 28 28 LEU CB C 28 40.475 41.419 -0.944 1
1 254 . 18 1 1 A 28 28 LEU C C 28 177.651 178.368 -0.717 1
1 256 . 18 1 1 A 29 29 ILE N N 29 119.789 119.229 0.560 1
1 257 . 18 1 1 A 29 29 ILE H H 29 7.956 8.471 -0.515 1
1 258 . 18 1 1 A 29 29 ILE CA C 29 64.818 65.265 -0.447 1
1 259 . 18 1 1 A 29 29 ILE HA H 29 3.770 3.477 0.293 1
1 260 . 18 1 1 A 29 29 ILE CB C 29 37.729 37.819 -0.090 1
1 272 . 18 1 1 A 29 29 ILE C C 29 179.269 178.123 1.146 1
1 274 . 18 1 1 A 30 30 GLU N N 30 119.089 119.796 -0.707 1
1 275 . 18 1 1 A 30 30 GLU H H 30 7.425 7.924 -0.499 1
1 276 . 18 1 1 A 30 30 GLU CA C 30 59.239 59.383 -0.144 1
1 277 . 18 1 1 A 30 30 GLU HA H 30 4.030 3.955 0.075 1
1 278 . 18 1 1 A 30 30 GLU CB C 30 29.976 29.219 0.757 1
1 282 . 18 1 1 A 30 30 GLU C C 30 178.534 178.542 -0.008 1
1 285 . 18 1 1 A 31 31 HIS N N 31 118.679 120.358 -1.679 1
1 286 . 18 1 1 A 31 31 HIS H H 31 7.493 7.677 -0.184 1
1 287 . 18 1 1 A 31 31 HIS CA C 31 58.956 59.550 -0.594 1
1 288 . 18 1 1 A 31 31 HIS HA H 31 4.224 4.132 0.092 1
1 289 . 18 1 1 A 31 31 HIS CB C 31 28.605 29.504 -0.899 1
1 295 . 18 1 1 A 31 31 HIS C C 31 176.314 176.984 -0.670 1
1 297 . 18 1 1 A 32 32 GLN N N 32 116.911 117.221 -0.310 1
1 298 . 18 1 1 A 32 32 GLN H H 32 8.454 8.617 -0.163 1
1 299 . 18 1 1 A 32 32 GLN CA C 32 59.194 59.076 0.118 1
1 300 . 18 1 1 A 32 32 GLN HA H 32 3.772 3.942 -0.170 1
1 301 . 18 1 1 A 32 32 GLN CB C 32 28.057 28.108 -0.051 1
1 308 . 18 1 1 A 32 32 GLN C C 32 178.135 178.216 -0.081 1
1 311 . 18 1 1 A 33 33 ALA N N 33 121.580 120.921 0.659 1
1 312 . 18 1 1 A 33 33 ALA H H 33 7.279 7.443 -0.164 1
1 313 . 18 1 1 A 33 33 ALA CA C 33 54.593 54.977 -0.384 1
1 314 . 18 1 1 A 33 33 ALA HA H 33 4.163 4.032 0.131 1
1 315 . 18 1 1 A 33 33 ALA CB C 33 18.182 18.537 -0.355 1
1 319 . 18 1 1 A 33 33 ALA C C 33 179.581 179.512 0.069 1
1 320 . 18 1 1 A 34 34 LEU N N 34 117.524 116.832 0.692 1
1 321 . 18 1 1 A 34 34 LEU H H 34 7.733 7.724 0.009 1
1 322 . 18 1 1 A 34 34 LEU CA C 34 56.653 57.945 -1.292 1
1 323 . 18 1 1 A 34 34 LEU HA H 34 4.058 3.889 0.169 1
1 324 . 18 1 1 A 34 34 LEU CB C 34 41.217 41.223 -0.006 1
1 336 . 18 1 1 A 34 34 LEU C C 34 179.011 178.800 0.211 1
1 338 . 18 1 1 A 35 35 HIS N N 35 115.390 118.413 -3.023 1
1 339 . 18 1 1 A 35 35 HIS H H 35 7.175 7.881 -0.706 1
1 340 . 18 1 1 A 35 35 HIS CA C 35 55.525 59.505 -3.980 1
1 341 . 18 1 1 A 35 35 HIS HA H 35 4.738 4.380 0.358 1
1 342 . 18 1 1 A 35 35 HIS CB C 35 28.715 29.790 -1.075 1
1 348 . 18 1 1 A 35 35 HIS C C 35 175.385 176.019 -0.634 1
1 350 . 18 1 1 A 36 36 ALA N N 36 122.651 118.511 4.140 1
1 351 . 18 1 1 A 36 36 ALA H H 36 7.634 7.548 0.086 1
1 352 . 18 1 1 A 36 36 ALA CA C 36 53.281 51.970 1.311 1
1 353 . 18 1 1 A 36 36 ALA HA H 36 4.328 4.337 -0.009 1
1 354 . 18 1 1 A 36 36 ALA CB C 36 19.154 17.592 1.562 1
1 358 . 18 1 1 A 36 36 ALA C C 36 178.273 177.481 0.792 1
1 359 . 18 1 1 A 37 37 GLY N N 37 107.266 107.137 0.129 1
1 360 . 18 1 1 A 37 37 GLY H H 37 8.163 7.777 0.386 1
1 361 . 18 1 1 A 37 37 GLY CA C 37 45.358 46.046 -0.688 1
1 362 . 18 1 1 A 37 37 GLY HA3 H 37 3.964 4.091 -0.127 1
1 363 . 18 1 1 A 37 37 GLY C C 37 174.369 173.699 0.670 1
1 364 . 18 1 1 A 37 37 GLY HA2 H 37 4.027 4.084 -0.057 1
1 365 . 18 1 1 A 38 38 GLU N N 38 120.486 117.551 2.935 1
1 366 . 18 1 1 A 38 38 GLU H H 38 8.160 7.956 0.204 1
1 367 . 18 1 1 A 38 38 GLU CA C 38 56.658 54.383 2.275 1
1 368 . 18 1 1 A 38 38 GLU HA H 38 4.357 5.128 -0.771 1
1 369 . 18 1 1 A 38 38 GLU CB C 38 30.381 33.824 -3.443 1
1 373 . 18 1 1 A 38 38 GLU C C 38 176.730 174.392 2.338 1
1 376 . 18 1 1 A 39 39 SER N N 39 116.555 115.525 1.030 1
1 377 . 18 1 1 A 39 39 SER H H 39 8.391 8.923 -0.532 1
1 378 . 18 1 1 A 39 39 SER CA C 39 58.397 56.296 2.101 1
1 379 . 18 1 1 A 39 39 SER HA H 39 4.515 5.399 -0.884 1
1 380 . 18 1 1 A 39 39 SER CB C 39 63.960 66.725 -2.765 1
1 382 . 18 1 1 A 39 39 SER C C 39 174.602 173.062 1.540 1
1 384 . 18 1 1 A 40 40 GLY N N 40 110.681 112.355 -1.674 1
1 385 . 18 1 1 A 40 40 GLY H H 40 8.239 8.247 -0.008 1
1 386 . 18 1 1 A 40 40 GLY CA C 40 44.666 44.080 0.586 1
1 387 . 18 1 1 A 40 40 GLY HA3 H 40 4.087 4.139 -0.052 1
1 388 . 18 1 1 A 40 40 GLY C C 40 171.769 172.948 -1.179 1
1 389 . 18 1 1 A 40 40 GLY HA2 H 40 4.185 4.139 0.046 1
1 390 . 18 1 1 A 41 41 PRO CA C 41 63.229 62.480 0.749 1
1 391 . 18 1 1 A 41 41 PRO HA H 41 4.489 4.797 -0.308 1
1 392 . 18 1 1 A 41 41 PRO CB C 41 32.192 30.238 1.954 1
1 398 . 18 1 1 A 41 41 PRO C C 41 177.375 176.371 1.004 1
1 402 . 18 1 1 A 42 42 SER N N 42 116.504 119.986 -3.482 1
1 403 . 18 1 1 A 42 42 SER H H 42 8.544 8.287 0.257 1
1 404 . 18 1 1 A 42 42 SER CA C 42 58.364 59.911 -1.547 1
1 405 . 18 1 1 A 42 42 SER HA H 42 4.470 4.374 0.096 1
1 406 . 18 1 1 A 42 42 SER CB C 42 64.062 62.823 1.239 1
1 408 . 18 1 1 A 42 42 SER C C 42 174.704 173.944 0.760 1
1 410 . 18 1 1 A 43 43 SER N N 43 117.992 122.333 -4.341 1
1 411 . 18 1 1 A 43 43 SER H H 43 8.358 8.710 -0.352 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.366 47.193 -1.827 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.975 3.811 0.164 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.840 174.787 -0.947 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 3.975 3.808 0.167 1
1 5 . 19 1 1 A 8 8 ALA N N 8 123.813 122.927 0.886 1
1 6 . 19 1 1 A 8 8 ALA H H 8 8.108 7.904 0.204 1
1 7 . 19 1 1 A 8 8 ALA CA C 8 52.400 51.305 1.095 1
1 8 . 19 1 1 A 8 8 ALA HA H 8 4.317 4.439 -0.122 1
1 9 . 19 1 1 A 8 8 ALA CB C 8 19.299 18.717 0.582 1
1 13 . 19 1 1 A 8 8 ALA C C 8 177.523 175.610 1.913 1
1 14 . 19 1 1 A 9 9 ALA N N 9 123.426 125.031 -1.605 1
1 15 . 19 1 1 A 9 9 ALA H H 9 8.272 8.318 -0.046 1
1 16 . 19 1 1 A 9 9 ALA CA C 9 52.433 51.099 1.334 1
1 17 . 19 1 1 A 9 9 ALA HA H 9 4.313 4.746 -0.433 1
1 18 . 19 1 1 A 9 9 ALA CB C 9 19.254 22.532 -3.278 1
1 22 . 19 1 1 A 9 9 ALA C C 9 177.795 175.536 2.259 1
1 23 . 19 1 1 A 10 10 LYS N N 10 120.933 119.945 0.988 1
1 24 . 19 1 1 A 10 10 LYS H H 10 8.368 8.458 -0.090 1
1 25 . 19 1 1 A 10 10 LYS CA C 10 56.323 56.744 -0.421 1
1 26 . 19 1 1 A 10 10 LYS HA H 10 4.427 4.267 0.160 1
1 27 . 19 1 1 A 10 10 LYS CB C 10 33.105 33.142 -0.037 1
1 35 . 19 1 1 A 10 10 LYS C C 10 176.978 176.446 0.532 1
1 40 . 19 1 1 A 11 11 THR N N 11 114.437 119.394 -4.957 1
1 41 . 19 1 1 A 11 11 THR H H 11 8.308 8.146 0.162 1
1 42 . 19 1 1 A 11 11 THR CA C 11 61.617 62.966 -1.349 1
1 43 . 19 1 1 A 11 11 THR HA H 11 4.472 4.221 0.251 1
1 44 . 19 1 1 A 11 11 THR CB C 11 69.821 69.600 0.221 1
1 50 . 19 1 1 A 11 11 THR C C 11 174.562 173.569 0.993 1
1 51 . 19 1 1 A 12 12 THR N N 12 114.598 124.591 -9.993 1
1 52 . 19 1 1 A 12 12 THR H H 12 7.915 8.802 -0.887 1
1 53 . 19 1 1 A 12 12 THR CA C 12 61.451 60.876 0.575 1
1 54 . 19 1 1 A 12 12 THR HA H 12 4.492 4.829 -0.337 1
1 55 . 19 1 1 A 12 12 THR CB C 12 70.427 73.355 -2.928 1
1 61 . 19 1 1 A 12 12 THR C C 12 174.236 173.523 0.713 1
1 62 . 19 1 1 A 13 13 SER N N 13 117.902 120.778 -2.876 1
1 63 . 19 1 1 A 13 13 SER H H 13 8.580 8.643 -0.063 1
1 64 . 19 1 1 A 13 13 SER CA C 13 58.138 58.026 0.112 1
1 65 . 19 1 1 A 13 13 SER HA H 13 4.684 4.621 0.063 1
1 66 . 19 1 1 A 13 13 SER CB C 13 65.065 61.444 3.621 1
1 68 . 19 1 1 A 13 13 SER C C 13 172.108 173.638 -1.530 1
1 70 . 19 1 1 A 14 14 GLU N N 14 124.193 123.913 0.280 1
1 71 . 19 1 1 A 14 14 GLU H H 14 8.386 8.609 -0.223 1
1 72 . 19 1 1 A 14 14 GLU CA C 14 54.181 56.664 -2.483 1
1 73 . 19 1 1 A 14 14 GLU HA H 14 5.048 4.888 0.160 1
1 74 . 19 1 1 A 14 14 GLU CB C 14 33.085 30.808 2.277 1
1 78 . 19 1 1 A 14 14 GLU C C 14 175.059 176.487 -1.428 1
1 81 . 19 1 1 A 15 15 CYS N N 15 126.927 125.263 1.664 1
1 82 . 19 1 1 A 15 15 CYS H H 15 9.263 9.161 0.102 1
1 83 . 19 1 1 A 15 15 CYS CA C 15 59.573 59.022 0.551 1
1 84 . 19 1 1 A 15 15 CYS HA H 15 4.562 4.542 0.020 1
1 85 . 19 1 1 A 15 15 CYS CB C 15 29.667 28.157 1.510 1
1 87 . 19 1 1 A 15 15 CYS C C 15 177.427 176.062 1.365 1
1 89 . 19 1 1 A 16 16 GLN N N 16 131.467 126.679 4.788 1
1 90 . 19 1 1 A 16 16 GLN H H 16 9.521 8.711 0.810 1
1 91 . 19 1 1 A 16 16 GLN CA C 16 57.973 58.078 -0.105 1
1 92 . 19 1 1 A 16 16 GLN HA H 16 4.175 4.075 0.100 1
1 93 . 19 1 1 A 16 16 GLN CB C 16 28.562 28.034 0.528 1
1 100 . 19 1 1 A 16 16 GLN C C 16 176.140 177.853 -1.713 1
1 103 . 19 1 1 A 17 17 GLU N N 17 120.316 118.582 1.734 1
1 104 . 19 1 1 A 17 17 GLU H H 17 8.682 8.155 0.527 1
1 105 . 19 1 1 A 17 17 GLU CA C 17 58.362 58.736 -0.374 1
1 106 . 19 1 1 A 17 17 GLU HA H 17 4.233 3.997 0.236 1
1 107 . 19 1 1 A 17 17 GLU CB C 17 29.552 29.466 0.086 1
1 111 . 19 1 1 A 17 17 GLU C C 17 177.303 177.948 -0.645 1
1 114 . 19 1 1 A 18 18 CYS N N 18 114.810 115.119 -0.309 1
1 115 . 19 1 1 A 18 18 CYS H H 18 8.042 7.975 0.067 1
1 116 . 19 1 1 A 18 18 CYS CA C 18 58.513 59.515 -1.002 1
1 117 . 19 1 1 A 18 18 CYS HA H 18 5.154 4.647 0.507 1
1 118 . 19 1 1 A 18 18 CYS CB C 18 32.408 29.975 2.433 1
1 120 . 19 1 1 A 18 18 CYS C C 18 176.323 175.505 0.818 1
1 122 . 19 1 1 A 19 19 GLY N N 19 113.476 110.086 3.390 1
1 123 . 19 1 1 A 19 19 GLY H H 19 8.183 8.313 -0.130 1
1 124 . 19 1 1 A 19 19 GLY CA C 19 46.149 45.615 0.534 1
1 125 . 19 1 1 A 19 19 GLY HA3 H 19 4.200 4.039 0.161 1
1 126 . 19 1 1 A 19 19 GLY C C 19 173.814 174.292 -0.478 1
1 127 . 19 1 1 A 19 19 GLY HA2 H 19 3.921 4.035 -0.114 1
1 128 . 19 1 1 A 20 20 LYS N N 20 122.183 120.135 2.048 1
1 129 . 19 1 1 A 20 20 LYS H H 20 7.830 7.703 0.127 1
1 130 . 19 1 1 A 20 20 LYS CA C 20 58.063 54.619 3.444 1
1 131 . 19 1 1 A 20 20 LYS HA H 20 3.979 4.506 -0.527 1
1 132 . 19 1 1 A 20 20 LYS CB C 20 34.034 34.383 -0.349 1
1 140 . 19 1 1 A 20 20 LYS C C 20 174.133 175.282 -1.149 1
1 145 . 19 1 1 A 21 21 ILE N N 21 120.927 126.987 -6.060 1
1 146 . 19 1 1 A 21 21 ILE H H 21 7.770 8.462 -0.692 1
1 147 . 19 1 1 A 21 21 ILE CA C 21 60.180 61.135 -0.955 1
1 148 . 19 1 1 A 21 21 ILE HA H 21 4.452 4.186 0.266 1
1 149 . 19 1 1 A 21 21 ILE CB C 21 39.694 37.870 1.824 1
1 161 . 19 1 1 A 21 21 ILE C C 21 175.461 175.207 0.254 1
1 163 . 19 1 1 A 22 22 PHE N N 22 123.258 124.780 -1.522 1
1 164 . 19 1 1 A 22 22 PHE H H 22 8.648 8.715 -0.067 1
1 165 . 19 1 1 A 22 22 PHE CA C 22 56.828 56.339 0.489 1
1 166 . 19 1 1 A 22 22 PHE HA H 22 4.710 4.885 -0.175 1
1 167 . 19 1 1 A 22 22 PHE CB C 22 43.452 41.976 1.476 1
1 179 . 19 1 1 A 22 22 PHE C C 22 176.151 175.665 0.486 1
1 181 . 19 1 1 A 23 23 ARG N N 23 119.153 125.594 -6.441 1
1 182 . 19 1 1 A 23 23 ARG H H 23 9.094 8.870 0.224 1
1 183 . 19 1 1 A 23 23 ARG CA C 23 57.288 59.827 -2.539 1
1 184 . 19 1 1 A 23 23 ARG HA H 23 4.241 3.996 0.245 1
1 185 . 19 1 1 A 23 23 ARG CB C 23 30.571 30.724 -0.153 1
1 191 . 19 1 1 A 23 23 ARG C C 23 174.928 175.957 -1.029 1
1 195 . 19 1 1 A 24 24 HIS N N 24 113.877 112.926 0.951 1
1 196 . 19 1 1 A 24 24 HIS H H 24 7.141 7.459 -0.318 1
1 197 . 19 1 1 A 24 24 HIS CA C 24 56.129 53.400 2.729 1
1 198 . 19 1 1 A 24 24 HIS HA H 24 4.863 4.852 0.011 1
1 199 . 19 1 1 A 24 24 HIS CB C 24 34.501 32.826 1.675 1
1 205 . 19 1 1 A 24 24 HIS C C 24 176.303 175.315 0.988 1
1 207 . 19 1 1 A 25 25 SER CA C 25 61.779 62.124 -0.345 1
1 208 . 19 1 1 A 25 25 SER HA H 25 4.060 4.109 -0.049 1
1 209 . 19 1 1 A 25 25 SER CB C 25 62.462 62.806 -0.344 1
1 212 . 19 1 1 A 26 26 SER N N 26 119.893 116.293 3.600 1
1 213 . 19 1 1 A 26 26 SER H H 26 9.650 8.506 1.144 1
1 214 . 19 1 1 A 26 26 SER CA C 26 61.866 62.054 -0.188 1
1 215 . 19 1 1 A 26 26 SER HA H 26 3.950 4.269 -0.319 1
1 216 . 19 1 1 A 26 26 SER CB C 26 61.788 62.874 -1.086 1
1 218 . 19 1 1 A 26 26 SER C C 26 176.964 177.131 -0.167 1
1 220 . 19 1 1 A 27 27 LEU N N 27 121.674 122.169 -0.495 1
1 221 . 19 1 1 A 27 27 LEU H H 27 7.141 8.106 -0.965 1
1 222 . 19 1 1 A 27 27 LEU CA C 27 56.669 58.026 -1.357 1
1 223 . 19 1 1 A 27 27 LEU HA H 27 4.170 3.817 0.353 1
1 224 . 19 1 1 A 27 27 LEU CB C 27 41.962 41.922 0.040 1
1 236 . 19 1 1 A 27 27 LEU C C 27 179.312 178.928 0.384 1
1 238 . 19 1 1 A 28 28 LEU N N 28 121.976 119.084 2.892 1
1 239 . 19 1 1 A 28 28 LEU H H 28 7.075 7.915 -0.840 1
1 240 . 19 1 1 A 28 28 LEU CA C 28 57.616 57.345 0.271 1
1 241 . 19 1 1 A 28 28 LEU HA H 28 3.216 2.644 0.572 1
1 242 . 19 1 1 A 28 28 LEU CB C 28 40.475 41.329 -0.854 1
1 254 . 19 1 1 A 28 28 LEU C C 28 177.651 178.492 -0.841 1
1 256 . 19 1 1 A 29 29 ILE N N 29 119.789 119.193 0.596 1
1 257 . 19 1 1 A 29 29 ILE H H 29 7.956 8.465 -0.509 1
1 258 . 19 1 1 A 29 29 ILE CA C 29 64.818 65.310 -0.492 1
1 259 . 19 1 1 A 29 29 ILE HA H 29 3.770 3.477 0.293 1
1 260 . 19 1 1 A 29 29 ILE CB C 29 37.729 37.803 -0.074 1
1 272 . 19 1 1 A 29 29 ILE C C 29 179.269 178.129 1.140 1
1 274 . 19 1 1 A 30 30 GLU N N 30 119.089 119.594 -0.505 1
1 275 . 19 1 1 A 30 30 GLU H H 30 7.425 7.940 -0.515 1
1 276 . 19 1 1 A 30 30 GLU CA C 30 59.239 59.421 -0.182 1
1 277 . 19 1 1 A 30 30 GLU HA H 30 4.030 3.957 0.073 1
1 278 . 19 1 1 A 30 30 GLU CB C 30 29.976 29.244 0.732 1
1 282 . 19 1 1 A 30 30 GLU C C 30 178.534 178.716 -0.182 1
1 285 . 19 1 1 A 31 31 HIS N N 31 118.679 120.513 -1.834 1
1 286 . 19 1 1 A 31 31 HIS H H 31 7.493 7.796 -0.303 1
1 287 . 19 1 1 A 31 31 HIS CA C 31 58.956 59.542 -0.586 1
1 288 . 19 1 1 A 31 31 HIS HA H 31 4.224 4.158 0.066 1
1 289 . 19 1 1 A 31 31 HIS CB C 31 28.605 29.663 -1.058 1
1 295 . 19 1 1 A 31 31 HIS C C 31 176.314 177.272 -0.958 1
1 297 . 19 1 1 A 32 32 GLN N N 32 116.911 118.027 -1.116 1
1 298 . 19 1 1 A 32 32 GLN H H 32 8.454 8.696 -0.242 1
1 299 . 19 1 1 A 32 32 GLN CA C 32 59.194 59.095 0.099 1
1 300 . 19 1 1 A 32 32 GLN HA H 32 3.772 4.040 -0.268 1
1 301 . 19 1 1 A 32 32 GLN CB C 32 28.057 28.198 -0.141 1
1 308 . 19 1 1 A 32 32 GLN C C 32 178.135 178.241 -0.106 1
1 311 . 19 1 1 A 33 33 ALA N N 33 121.580 121.112 0.468 1
1 312 . 19 1 1 A 33 33 ALA H H 33 7.279 7.944 -0.665 1
1 313 . 19 1 1 A 33 33 ALA CA C 33 54.593 54.998 -0.405 1
1 314 . 19 1 1 A 33 33 ALA HA H 33 4.163 4.035 0.128 1
1 315 . 19 1 1 A 33 33 ALA CB C 33 18.182 18.568 -0.386 1
1 319 . 19 1 1 A 33 33 ALA C C 33 179.581 179.616 -0.035 1
1 320 . 19 1 1 A 34 34 LEU N N 34 117.524 116.600 0.924 1
1 321 . 19 1 1 A 34 34 LEU H H 34 7.733 7.602 0.131 1
1 322 . 19 1 1 A 34 34 LEU CA C 34 56.653 57.511 -0.858 1
1 323 . 19 1 1 A 34 34 LEU HA H 34 4.058 3.924 0.134 1
1 324 . 19 1 1 A 34 34 LEU CB C 34 41.217 41.164 0.053 1
1 336 . 19 1 1 A 34 34 LEU C C 34 179.011 177.607 1.404 1
1 338 . 19 1 1 A 35 35 HIS N N 35 115.390 116.992 -1.602 1
1 339 . 19 1 1 A 35 35 HIS H H 35 7.175 7.704 -0.529 1
1 340 . 19 1 1 A 35 35 HIS CA C 35 55.525 55.167 0.358 1
1 341 . 19 1 1 A 35 35 HIS HA H 35 4.738 4.657 0.081 1
1 342 . 19 1 1 A 35 35 HIS CB C 35 28.715 28.744 -0.029 1
1 348 . 19 1 1 A 35 35 HIS C C 35 175.385 173.959 1.426 1
1 350 . 19 1 1 A 36 36 ALA N N 36 122.651 119.942 2.709 1
1 351 . 19 1 1 A 36 36 ALA H H 36 7.634 7.527 0.107 1
1 352 . 19 1 1 A 36 36 ALA CA C 36 53.281 51.521 1.760 1
1 353 . 19 1 1 A 36 36 ALA HA H 36 4.328 4.792 -0.464 1
1 354 . 19 1 1 A 36 36 ALA CB C 36 19.154 22.677 -3.523 1
1 358 . 19 1 1 A 36 36 ALA C C 36 178.273 176.240 2.033 1
1 359 . 19 1 1 A 37 37 GLY N N 37 107.266 106.204 1.062 1
1 360 . 19 1 1 A 37 37 GLY H H 37 8.163 8.379 -0.216 1
1 361 . 19 1 1 A 37 37 GLY CA C 37 45.358 46.099 -0.741 1
1 362 . 19 1 1 A 37 37 GLY HA3 H 37 3.964 4.246 -0.282 1
1 363 . 19 1 1 A 37 37 GLY C C 37 174.369 173.779 0.590 1
1 364 . 19 1 1 A 37 37 GLY HA2 H 37 4.027 4.242 -0.215 1
1 365 . 19 1 1 A 38 38 GLU N N 38 120.486 123.492 -3.006 1
1 366 . 19 1 1 A 38 38 GLU H H 38 8.160 8.777 -0.617 1
1 367 . 19 1 1 A 38 38 GLU CA C 38 56.658 56.376 0.282 1
1 368 . 19 1 1 A 38 38 GLU HA H 38 4.357 4.316 0.041 1
1 369 . 19 1 1 A 38 38 GLU CB C 38 30.381 29.064 1.317 1
1 373 . 19 1 1 A 38 38 GLU C C 38 176.730 175.518 1.212 1
1 376 . 19 1 1 A 39 39 SER N N 39 116.555 112.494 4.061 1
1 377 . 19 1 1 A 39 39 SER H H 39 8.391 7.847 0.544 1
1 378 . 19 1 1 A 39 39 SER CA C 39 58.397 57.029 1.368 1
1 379 . 19 1 1 A 39 39 SER HA H 39 4.515 5.034 -0.519 1
1 380 . 19 1 1 A 39 39 SER CB C 39 63.960 65.933 -1.973 1
1 382 . 19 1 1 A 39 39 SER C C 39 174.602 173.098 1.504 1
1 384 . 19 1 1 A 40 40 GLY N N 40 110.681 107.989 2.692 1
1 385 . 19 1 1 A 40 40 GLY H H 40 8.239 8.484 -0.245 1
1 386 . 19 1 1 A 40 40 GLY CA C 40 44.666 45.559 -0.893 1
1 387 . 19 1 1 A 40 40 GLY HA3 H 40 4.087 4.256 -0.169 1
1 388 . 19 1 1 A 40 40 GLY C C 40 171.769 173.763 -1.994 1
1 389 . 19 1 1 A 40 40 GLY HA2 H 40 4.185 4.256 -0.071 1
1 390 . 19 1 1 A 41 41 PRO CA C 41 63.229 63.828 -0.599 1
1 391 . 19 1 1 A 41 41 PRO HA H 41 4.489 4.638 -0.149 1
1 392 . 19 1 1 A 41 41 PRO CB C 41 32.192 31.626 0.566 1
1 398 . 19 1 1 A 41 41 PRO C C 41 177.375 176.407 0.968 1
1 402 . 19 1 1 A 42 42 SER N N 42 116.504 112.748 3.756 1
1 403 . 19 1 1 A 42 42 SER H H 42 8.544 7.726 0.818 1
1 404 . 19 1 1 A 42 42 SER CA C 42 58.364 57.419 0.945 1
1 405 . 19 1 1 A 42 42 SER HA H 42 4.470 4.480 -0.010 1
1 406 . 19 1 1 A 42 42 SER CB C 42 64.062 64.073 -0.011 1
1 408 . 19 1 1 A 42 42 SER C C 42 174.704 174.387 0.317 1
1 410 . 19 1 1 A 43 43 SER N N 43 117.992 118.602 -0.610 1
1 411 . 19 1 1 A 43 43 SER H H 43 8.358 8.607 -0.249 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.366 45.633 -0.267 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.975 4.112 -0.137 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.840 175.077 -1.237 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 3.975 4.098 -0.123 1
1 5 . 20 1 1 A 8 8 ALA N N 8 123.813 121.528 2.285 1
1 6 . 20 1 1 A 8 8 ALA H H 8 8.108 7.792 0.316 1
1 7 . 20 1 1 A 8 8 ALA CA C 8 52.400 54.244 -1.844 1
1 8 . 20 1 1 A 8 8 ALA HA H 8 4.317 4.316 0.001 1
1 9 . 20 1 1 A 8 8 ALA CB C 8 19.299 19.506 -0.207 1
1 13 . 20 1 1 A 8 8 ALA C C 8 177.523 178.822 -1.299 1
1 14 . 20 1 1 A 9 9 ALA N N 9 123.426 117.398 6.028 1
1 15 . 20 1 1 A 9 9 ALA H H 9 8.272 7.835 0.437 1
1 16 . 20 1 1 A 9 9 ALA CA C 9 52.433 52.812 -0.379 1
1 17 . 20 1 1 A 9 9 ALA HA H 9 4.313 4.454 -0.141 1
1 18 . 20 1 1 A 9 9 ALA CB C 9 19.254 20.654 -1.400 1
1 22 . 20 1 1 A 9 9 ALA C C 9 177.795 177.563 0.232 1
1 23 . 20 1 1 A 10 10 LYS N N 10 120.933 117.594 3.339 1
1 24 . 20 1 1 A 10 10 LYS H H 10 8.368 7.666 0.702 1
1 25 . 20 1 1 A 10 10 LYS CA C 10 56.323 57.247 -0.924 1
1 26 . 20 1 1 A 10 10 LYS HA H 10 4.427 4.229 0.198 1
1 27 . 20 1 1 A 10 10 LYS CB C 10 33.105 32.362 0.743 1
1 35 . 20 1 1 A 10 10 LYS C C 10 176.978 176.486 0.492 1
1 40 . 20 1 1 A 11 11 THR N N 11 114.437 116.075 -1.638 1
1 41 . 20 1 1 A 11 11 THR H H 11 8.308 8.534 -0.226 1
1 42 . 20 1 1 A 11 11 THR CA C 11 61.617 62.176 -0.559 1
1 43 . 20 1 1 A 11 11 THR HA H 11 4.472 4.379 0.093 1
1 44 . 20 1 1 A 11 11 THR CB C 11 69.821 68.911 0.910 1
1 50 . 20 1 1 A 11 11 THR C C 11 174.562 174.742 -0.180 1
1 51 . 20 1 1 A 12 12 THR N N 12 114.598 120.996 -6.398 1
1 52 . 20 1 1 A 12 12 THR H H 12 7.915 8.997 -1.082 1
1 53 . 20 1 1 A 12 12 THR CA C 12 61.451 60.590 0.861 1
1 54 . 20 1 1 A 12 12 THR HA H 12 4.492 4.986 -0.494 1
1 55 . 20 1 1 A 12 12 THR CB C 12 70.427 72.961 -2.534 1
1 61 . 20 1 1 A 12 12 THR C C 12 174.236 173.557 0.679 1
1 62 . 20 1 1 A 13 13 SER N N 13 117.902 121.176 -3.274 1
1 63 . 20 1 1 A 13 13 SER H H 13 8.580 8.587 -0.007 1
1 64 . 20 1 1 A 13 13 SER CA C 13 58.138 58.016 0.122 1
1 65 . 20 1 1 A 13 13 SER HA H 13 4.684 4.660 0.024 1
1 66 . 20 1 1 A 13 13 SER CB C 13 65.065 61.467 3.598 1
1 68 . 20 1 1 A 13 13 SER C C 13 172.108 173.603 -1.495 1
1 70 . 20 1 1 A 14 14 GLU N N 14 124.193 124.766 -0.573 1
1 71 . 20 1 1 A 14 14 GLU H H 14 8.386 8.628 -0.242 1
1 72 . 20 1 1 A 14 14 GLU CA C 14 54.181 56.376 -2.195 1
1 73 . 20 1 1 A 14 14 GLU HA H 14 5.048 4.886 0.162 1
1 74 . 20 1 1 A 14 14 GLU CB C 14 33.085 31.184 1.901 1
1 78 . 20 1 1 A 14 14 GLU C C 14 175.059 176.245 -1.186 1
1 81 . 20 1 1 A 15 15 CYS N N 15 126.927 125.504 1.423 1
1 82 . 20 1 1 A 15 15 CYS H H 15 9.263 8.756 0.507 1
1 83 . 20 1 1 A 15 15 CYS CA C 15 59.573 58.867 0.706 1
1 84 . 20 1 1 A 15 15 CYS HA H 15 4.562 4.544 0.018 1
1 85 . 20 1 1 A 15 15 CYS CB C 15 29.667 27.547 2.120 1
1 87 . 20 1 1 A 15 15 CYS C C 15 177.427 175.635 1.792 1
1 89 . 20 1 1 A 16 16 GLN N N 16 131.467 126.952 4.515 1
1 90 . 20 1 1 A 16 16 GLN H H 16 9.521 8.456 1.065 1
1 91 . 20 1 1 A 16 16 GLN CA C 16 57.973 58.261 -0.288 1
1 92 . 20 1 1 A 16 16 GLN HA H 16 4.175 4.061 0.114 1
1 93 . 20 1 1 A 16 16 GLN CB C 16 28.562 28.094 0.468 1
1 100 . 20 1 1 A 16 16 GLN C C 16 176.140 177.942 -1.802 1
1 103 . 20 1 1 A 17 17 GLU N N 17 120.316 118.689 1.627 1
1 104 . 20 1 1 A 17 17 GLU H H 17 8.682 8.052 0.630 1
1 105 . 20 1 1 A 17 17 GLU CA C 17 58.362 58.827 -0.465 1
1 106 . 20 1 1 A 17 17 GLU HA H 17 4.233 4.022 0.211 1
1 107 . 20 1 1 A 17 17 GLU CB C 17 29.552 29.606 -0.054 1
1 111 . 20 1 1 A 17 17 GLU C C 17 177.303 177.995 -0.692 1
1 114 . 20 1 1 A 18 18 CYS N N 18 114.810 115.203 -0.393 1
1 115 . 20 1 1 A 18 18 CYS H H 18 8.042 7.780 0.262 1
1 116 . 20 1 1 A 18 18 CYS CA C 18 58.513 59.561 -1.048 1
1 117 . 20 1 1 A 18 18 CYS HA H 18 5.154 4.679 0.475 1
1 118 . 20 1 1 A 18 18 CYS CB C 18 32.408 29.988 2.420 1
1 120 . 20 1 1 A 18 18 CYS C C 18 176.323 175.437 0.886 1
1 122 . 20 1 1 A 19 19 GLY N N 19 113.476 110.089 3.387 1
1 123 . 20 1 1 A 19 19 GLY H H 19 8.183 8.582 -0.399 1
1 124 . 20 1 1 A 19 19 GLY CA C 19 46.149 45.403 0.746 1
1 125 . 20 1 1 A 19 19 GLY HA3 H 19 4.200 4.044 0.156 1
1 126 . 20 1 1 A 19 19 GLY C C 19 173.814 174.306 -0.492 1
1 127 . 20 1 1 A 19 19 GLY HA2 H 19 3.921 4.038 -0.117 1
1 128 . 20 1 1 A 20 20 LYS N N 20 122.183 120.144 2.039 1
1 129 . 20 1 1 A 20 20 LYS H H 20 7.830 7.705 0.125 1
1 130 . 20 1 1 A 20 20 LYS CA C 20 58.063 54.609 3.454 1
1 131 . 20 1 1 A 20 20 LYS HA H 20 3.979 4.470 -0.491 1
1 132 . 20 1 1 A 20 20 LYS CB C 20 34.034 34.225 -0.191 1
1 140 . 20 1 1 A 20 20 LYS C C 20 174.133 175.443 -1.310 1
1 145 . 20 1 1 A 21 21 ILE N N 21 120.927 127.268 -6.341 1
1 146 . 20 1 1 A 21 21 ILE H H 21 7.770 8.499 -0.729 1
1 147 . 20 1 1 A 21 21 ILE CA C 21 60.180 61.435 -1.255 1
1 148 . 20 1 1 A 21 21 ILE HA H 21 4.452 4.131 0.321 1
1 149 . 20 1 1 A 21 21 ILE CB C 21 39.694 38.126 1.568 1
1 161 . 20 1 1 A 21 21 ILE C C 21 175.461 175.324 0.137 1
1 163 . 20 1 1 A 22 22 PHE N N 22 123.258 124.818 -1.560 1
1 164 . 20 1 1 A 22 22 PHE H H 22 8.648 8.730 -0.082 1
1 165 . 20 1 1 A 22 22 PHE CA C 22 56.828 56.309 0.519 1
1 166 . 20 1 1 A 22 22 PHE HA H 22 4.710 4.858 -0.148 1
1 167 . 20 1 1 A 22 22 PHE CB C 22 43.452 41.912 1.540 1
1 179 . 20 1 1 A 22 22 PHE C C 22 176.151 175.741 0.410 1
1 181 . 20 1 1 A 23 23 ARG N N 23 119.153 125.303 -6.150 1
1 182 . 20 1 1 A 23 23 ARG H H 23 9.094 8.936 0.158 1
1 183 . 20 1 1 A 23 23 ARG CA C 23 57.288 59.711 -2.423 1
1 184 . 20 1 1 A 23 23 ARG HA H 23 4.241 3.967 0.274 1
1 185 . 20 1 1 A 23 23 ARG CB C 23 30.571 30.659 -0.088 1
1 191 . 20 1 1 A 23 23 ARG C C 23 174.928 176.007 -1.079 1
1 195 . 20 1 1 A 24 24 HIS N N 24 113.877 113.320 0.557 1
1 196 . 20 1 1 A 24 24 HIS H H 24 7.141 7.487 -0.346 1
1 197 . 20 1 1 A 24 24 HIS CA C 24 56.129 53.666 2.463 1
1 198 . 20 1 1 A 24 24 HIS HA H 24 4.863 4.898 -0.035 1
1 199 . 20 1 1 A 24 24 HIS CB C 24 34.501 33.035 1.466 1
1 205 . 20 1 1 A 24 24 HIS C C 24 176.303 175.851 0.452 1
1 207 . 20 1 1 A 25 25 SER CA C 25 61.779 61.527 0.252 1
1 208 . 20 1 1 A 25 25 SER HA H 25 4.060 4.119 -0.059 1
1 209 . 20 1 1 A 25 25 SER CB C 25 62.462 62.653 -0.191 1
1 212 . 20 1 1 A 26 26 SER N N 26 119.893 115.091 4.802 1
1 213 . 20 1 1 A 26 26 SER H H 26 9.650 8.550 1.100 1
1 214 . 20 1 1 A 26 26 SER CA C 26 61.866 62.033 -0.167 1
1 215 . 20 1 1 A 26 26 SER HA H 26 3.950 4.296 -0.346 1
1 216 . 20 1 1 A 26 26 SER CB C 26 61.788 62.743 -0.955 1
1 218 . 20 1 1 A 26 26 SER C C 26 176.964 177.116 -0.152 1
1 220 . 20 1 1 A 27 27 LEU N N 27 121.674 121.924 -0.250 1
1 221 . 20 1 1 A 27 27 LEU H H 27 7.141 8.048 -0.907 1
1 222 . 20 1 1 A 27 27 LEU CA C 27 56.669 58.006 -1.337 1
1 223 . 20 1 1 A 27 27 LEU HA H 27 4.170 3.830 0.340 1
1 224 . 20 1 1 A 27 27 LEU CB C 27 41.962 41.835 0.127 1
1 236 . 20 1 1 A 27 27 LEU C C 27 179.312 178.914 0.398 1
1 238 . 20 1 1 A 28 28 LEU N N 28 121.976 119.097 2.879 1
1 239 . 20 1 1 A 28 28 LEU H H 28 7.075 7.944 -0.869 1
1 240 . 20 1 1 A 28 28 LEU CA C 28 57.616 57.405 0.211 1
1 241 . 20 1 1 A 28 28 LEU HA H 28 3.216 2.543 0.673 1
1 242 . 20 1 1 A 28 28 LEU CB C 28 40.475 41.343 -0.868 1
1 254 . 20 1 1 A 28 28 LEU C C 28 177.651 178.422 -0.771 1
1 256 . 20 1 1 A 29 29 ILE N N 29 119.789 119.128 0.661 1
1 257 . 20 1 1 A 29 29 ILE H H 29 7.956 8.453 -0.497 1
1 258 . 20 1 1 A 29 29 ILE CA C 29 64.818 65.405 -0.587 1
1 259 . 20 1 1 A 29 29 ILE HA H 29 3.770 3.452 0.318 1
1 260 . 20 1 1 A 29 29 ILE CB C 29 37.729 37.594 0.135 1
1 272 . 20 1 1 A 29 29 ILE C C 29 179.269 178.018 1.251 1
1 274 . 20 1 1 A 30 30 GLU N N 30 119.089 119.857 -0.768 1
1 275 . 20 1 1 A 30 30 GLU H H 30 7.425 8.054 -0.629 1
1 276 . 20 1 1 A 30 30 GLU CA C 30 59.239 59.459 -0.220 1
1 277 . 20 1 1 A 30 30 GLU HA H 30 4.030 3.969 0.061 1
1 278 . 20 1 1 A 30 30 GLU CB C 30 29.976 29.312 0.664 1
1 282 . 20 1 1 A 30 30 GLU C C 30 178.534 178.595 -0.061 1
1 285 . 20 1 1 A 31 31 HIS N N 31 118.679 120.839 -2.160 1
1 286 . 20 1 1 A 31 31 HIS H H 31 7.493 7.733 -0.240 1
1 287 . 20 1 1 A 31 31 HIS CA C 31 58.956 59.278 -0.322 1
1 288 . 20 1 1 A 31 31 HIS HA H 31 4.224 4.167 0.057 1
1 289 . 20 1 1 A 31 31 HIS CB C 31 28.605 29.659 -1.054 1
1 295 . 20 1 1 A 31 31 HIS C C 31 176.314 177.242 -0.928 1
1 297 . 20 1 1 A 32 32 GLN N N 32 116.911 117.743 -0.832 1
1 298 . 20 1 1 A 32 32 GLN H H 32 8.454 8.662 -0.208 1
1 299 . 20 1 1 A 32 32 GLN CA C 32 59.194 59.107 0.087 1
1 300 . 20 1 1 A 32 32 GLN HA H 32 3.772 3.929 -0.157 1
1 301 . 20 1 1 A 32 32 GLN CB C 32 28.057 28.162 -0.105 1
1 308 . 20 1 1 A 32 32 GLN C C 32 178.135 178.253 -0.118 1
1 311 . 20 1 1 A 33 33 ALA N N 33 121.580 121.465 0.115 1
1 312 . 20 1 1 A 33 33 ALA H H 33 7.279 7.514 -0.235 1
1 313 . 20 1 1 A 33 33 ALA CA C 33 54.593 54.894 -0.301 1
1 314 . 20 1 1 A 33 33 ALA HA H 33 4.163 4.029 0.134 1
1 315 . 20 1 1 A 33 33 ALA CB C 33 18.182 18.456 -0.274 1
1 319 . 20 1 1 A 33 33 ALA C C 33 179.581 179.728 -0.147 1
1 320 . 20 1 1 A 34 34 LEU N N 34 117.524 117.141 0.383 1
1 321 . 20 1 1 A 34 34 LEU H H 34 7.733 7.771 -0.038 1
1 322 . 20 1 1 A 34 34 LEU CA C 34 56.653 57.866 -1.213 1
1 323 . 20 1 1 A 34 34 LEU HA H 34 4.058 3.880 0.178 1
1 324 . 20 1 1 A 34 34 LEU CB C 34 41.217 41.158 0.059 1
1 336 . 20 1 1 A 34 34 LEU C C 34 179.011 178.753 0.258 1
1 338 . 20 1 1 A 35 35 HIS N N 35 115.390 118.490 -3.100 1
1 339 . 20 1 1 A 35 35 HIS H H 35 7.175 7.961 -0.786 1
1 340 . 20 1 1 A 35 35 HIS CA C 35 55.525 59.211 -3.686 1
1 341 . 20 1 1 A 35 35 HIS HA H 35 4.738 4.370 0.368 1
1 342 . 20 1 1 A 35 35 HIS CB C 35 28.715 29.454 -0.739 1
1 348 . 20 1 1 A 35 35 HIS C C 35 175.385 176.490 -1.105 1
1 350 . 20 1 1 A 36 36 ALA N N 36 122.651 119.140 3.511 1
1 351 . 20 1 1 A 36 36 ALA H H 36 7.634 7.484 0.150 1
1 352 . 20 1 1 A 36 36 ALA CA C 36 53.281 51.375 1.906 1
1 353 . 20 1 1 A 36 36 ALA HA H 36 4.328 4.281 0.047 1
1 354 . 20 1 1 A 36 36 ALA CB C 36 19.154 17.641 1.513 1
1 358 . 20 1 1 A 36 36 ALA C C 36 178.273 177.717 0.556 1
1 359 . 20 1 1 A 37 37 GLY N N 37 107.266 110.174 -2.908 1
1 360 . 20 1 1 A 37 37 GLY H H 37 8.163 8.374 -0.211 1
1 361 . 20 1 1 A 37 37 GLY CA C 37 45.358 45.732 -0.374 1
1 362 . 20 1 1 A 37 37 GLY HA3 H 37 3.964 4.082 -0.118 1
1 363 . 20 1 1 A 37 37 GLY C C 37 174.369 173.102 1.267 1
1 364 . 20 1 1 A 37 37 GLY HA2 H 37 4.027 4.077 -0.050 1
1 365 . 20 1 1 A 38 38 GLU N N 38 120.486 120.049 0.437 1
1 366 . 20 1 1 A 38 38 GLU H H 38 8.160 7.666 0.494 1
1 367 . 20 1 1 A 38 38 GLU CA C 38 56.658 54.684 1.974 1
1 368 . 20 1 1 A 38 38 GLU HA H 38 4.357 4.689 -0.332 1
1 369 . 20 1 1 A 38 38 GLU CB C 38 30.381 33.069 -2.688 1
1 373 . 20 1 1 A 38 38 GLU C C 38 176.730 175.912 0.818 1
1 376 . 20 1 1 A 39 39 SER N N 39 116.555 119.388 -2.833 1
1 377 . 20 1 1 A 39 39 SER H H 39 8.391 8.823 -0.432 1
1 378 . 20 1 1 A 39 39 SER CA C 39 58.397 58.516 -0.119 1
1 379 . 20 1 1 A 39 39 SER HA H 39 4.515 4.410 0.105 1
1 380 . 20 1 1 A 39 39 SER CB C 39 63.960 63.465 0.495 1
1 382 . 20 1 1 A 39 39 SER C C 39 174.602 174.880 -0.278 1
1 384 . 20 1 1 A 40 40 GLY N N 40 110.681 109.965 0.716 1
1 385 . 20 1 1 A 40 40 GLY H H 40 8.239 8.547 -0.308 1
1 386 . 20 1 1 A 40 40 GLY CA C 40 44.666 44.377 0.289 1
1 387 . 20 1 1 A 40 40 GLY HA3 H 40 4.087 4.040 0.047 1
1 388 . 20 1 1 A 40 40 GLY C C 40 171.769 173.154 -1.385 1
1 389 . 20 1 1 A 40 40 GLY HA2 H 40 4.185 4.039 0.146 1
1 390 . 20 1 1 A 41 41 PRO CA C 41 63.229 62.412 0.817 1
1 391 . 20 1 1 A 41 41 PRO HA H 41 4.489 4.468 0.021 1
1 392 . 20 1 1 A 41 41 PRO CB C 41 32.192 29.903 2.289 1
1 398 . 20 1 1 A 41 41 PRO C C 41 177.375 177.054 0.321 1
1 402 . 20 1 1 A 42 42 SER N N 42 116.504 113.153 3.351 1
1 403 . 20 1 1 A 42 42 SER H H 42 8.544 8.369 0.175 1
1 404 . 20 1 1 A 42 42 SER CA C 42 58.364 58.798 -0.434 1
1 405 . 20 1 1 A 42 42 SER HA H 42 4.470 3.861 0.609 1
1 406 . 20 1 1 A 42 42 SER CB C 42 64.062 61.770 2.292 1
1 408 . 20 1 1 A 42 42 SER C C 42 174.704 172.843 1.861 1
1 410 . 20 1 1 A 43 43 SER N N 43 117.992 114.657 3.335 1
1 411 . 20 1 1 A 43 43 SER H H 43 8.358 7.858 0.500 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 35 1.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.302 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.457 1
4 1 1 1 "RMS(OBS, PRED)" H 34 0.533 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.259 1
6 1 1 1 "RMS(OBS, PRED)" N 34 3.366 1
7 1 2 1 "RMS(OBS, PRED)" C 35 1.083 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.551 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.381 1
10 1 2 1 "RMS(OBS, PRED)" H 34 0.586 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.244 1
12 1 2 1 "RMS(OBS, PRED)" N 34 2.904 1
13 1 3 1 "RMS(OBS, PRED)" C 35 0.999 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.273 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.435 1
16 1 3 1 "RMS(OBS, PRED)" H 34 0.510 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.255 1
18 1 3 1 "RMS(OBS, PRED)" N 34 3.216 1
19 1 4 1 "RMS(OBS, PRED)" C 35 0.993 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.490 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.394 1
22 1 4 1 "RMS(OBS, PRED)" H 34 0.470 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.237 1
24 1 4 1 "RMS(OBS, PRED)" N 34 3.026 1
25 1 5 1 "RMS(OBS, PRED)" C 35 1.008 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.591 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.261 1
28 1 5 1 "RMS(OBS, PRED)" H 34 0.516 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.264 1
30 1 5 1 "RMS(OBS, PRED)" N 34 2.874 1
31 1 6 1 "RMS(OBS, PRED)" C 35 1.043 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.464 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.379 1
34 1 6 1 "RMS(OBS, PRED)" H 34 0.520 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.243 1
36 1 6 1 "RMS(OBS, PRED)" N 34 3.481 1
37 1 7 1 "RMS(OBS, PRED)" C 35 0.895 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.356 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.411 1
40 1 7 1 "RMS(OBS, PRED)" H 34 0.498 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.214 1
42 1 7 1 "RMS(OBS, PRED)" N 34 2.927 1
43 1 8 1 "RMS(OBS, PRED)" C 35 0.855 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.592 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.282 1
46 1 8 1 "RMS(OBS, PRED)" H 34 0.474 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.255 1
48 1 8 1 "RMS(OBS, PRED)" N 34 2.875 1
49 1 9 1 "RMS(OBS, PRED)" C 35 1.079 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.443 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.482 1
52 1 9 1 "RMS(OBS, PRED)" H 34 0.503 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.283 1
54 1 9 1 "RMS(OBS, PRED)" N 34 2.863 1
55 1 10 1 "RMS(OBS, PRED)" C 35 0.914 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.535 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.249 1
58 1 10 1 "RMS(OBS, PRED)" H 34 0.459 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.243 1
60 1 10 1 "RMS(OBS, PRED)" N 34 2.728 1
61 1 11 1 "RMS(OBS, PRED)" C 35 1.107 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.417 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.413 1
64 1 11 1 "RMS(OBS, PRED)" H 34 0.478 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.268 1
66 1 11 1 "RMS(OBS, PRED)" N 34 3.063 1
67 1 12 1 "RMS(OBS, PRED)" C 35 0.943 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.450 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.229 1
70 1 12 1 "RMS(OBS, PRED)" H 34 0.517 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.229 1
72 1 12 1 "RMS(OBS, PRED)" N 34 2.844 1
73 1 13 1 "RMS(OBS, PRED)" C 35 1.027 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.360 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.441 1
76 1 13 1 "RMS(OBS, PRED)" H 34 0.563 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.263 1
78 1 13 1 "RMS(OBS, PRED)" N 34 3.181 1
79 1 14 1 "RMS(OBS, PRED)" C 35 1.106 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.710 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.304 1
82 1 14 1 "RMS(OBS, PRED)" H 34 0.515 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.279 1
84 1 14 1 "RMS(OBS, PRED)" N 34 2.823 1
85 1 15 1 "RMS(OBS, PRED)" C 35 0.950 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.410 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.405 1
88 1 15 1 "RMS(OBS, PRED)" H 34 0.535 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.266 1
90 1 15 1 "RMS(OBS, PRED)" N 34 3.238 1
91 1 16 1 "RMS(OBS, PRED)" C 35 1.031 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.357 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.490 1
94 1 16 1 "RMS(OBS, PRED)" H 34 0.500 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.245 1
96 1 16 1 "RMS(OBS, PRED)" N 34 3.335 1
97 1 17 1 "RMS(OBS, PRED)" C 35 0.993 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.271 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.484 1
100 1 17 1 "RMS(OBS, PRED)" H 34 0.456 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.237 1
102 1 17 1 "RMS(OBS, PRED)" N 34 3.366 1
103 1 18 1 "RMS(OBS, PRED)" C 35 0.935 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.525 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.618 1
106 1 18 1 "RMS(OBS, PRED)" H 34 0.516 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.297 1
108 1 18 1 "RMS(OBS, PRED)" N 34 3.121 1
109 1 19 1 "RMS(OBS, PRED)" C 35 1.163 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.252 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.578 1
112 1 19 1 "RMS(OBS, PRED)" H 34 0.505 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.264 1
114 1 19 1 "RMS(OBS, PRED)" N 34 3.253 1
115 1 20 1 "RMS(OBS, PRED)" C 35 0.963 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.360 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.483 1
118 1 20 1 "RMS(OBS, PRED)" H 34 0.547 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.262 1
120 1 20 1 "RMS(OBS, PRED)" N 34 3.155 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 CA C 7 45.366 45.823 -0.457 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.975 4.045 -0.070 2
1 3 . 1 1 A 7 7 GLY C C 7 173.840 174.022 -0.181 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 3.975 4.037 -0.062 2
1 5 . 1 1 A 8 8 ALA N N 8 123.813 123.473 0.340 2
1 6 . 1 1 A 8 8 ALA H H 8 8.108 8.161 -0.053 2
1 7 . 1 1 A 8 8 ALA CA C 8 52.400 52.378 0.022 2
1 8 . 1 1 A 8 8 ALA HA H 8 4.317 4.462 -0.145 2
1 9 . 1 1 A 8 8 ALA CB C 8 19.299 19.828 -0.529 2
1 13 . 1 1 A 8 8 ALA C C 8 177.523 177.053 0.470 2
1 14 . 1 1 A 9 9 ALA N N 9 123.426 120.785 2.641 2
1 15 . 1 1 A 9 9 ALA H H 9 8.272 8.038 0.234 2
1 16 . 1 1 A 9 9 ALA CA C 9 52.433 52.293 0.140 2
1 17 . 1 1 A 9 9 ALA HA H 9 4.313 4.408 -0.095 2
1 18 . 1 1 A 9 9 ALA CB C 9 19.254 20.100 -0.846 2
1 22 . 1 1 A 9 9 ALA C C 9 177.795 177.093 0.702 2
1 23 . 1 1 A 10 10 LYS N N 10 120.933 119.377 1.556 2
1 24 . 1 1 A 10 10 LYS H H 10 8.368 8.243 0.125 2
1 25 . 1 1 A 10 10 LYS CA C 10 56.323 57.231 -0.908 2
1 26 . 1 1 A 10 10 LYS HA H 10 4.427 4.292 0.135 2
1 27 . 1 1 A 10 10 LYS CB C 10 33.105 33.228 -0.123 2
1 35 . 1 1 A 10 10 LYS C C 10 176.978 176.678 0.300 2
1 40 . 1 1 A 11 11 THR N N 11 114.437 114.073 0.364 2
1 41 . 1 1 A 11 11 THR H H 11 8.308 8.180 0.128 2
1 42 . 1 1 A 11 11 THR CA C 11 61.617 62.508 -0.891 2
1 43 . 1 1 A 11 11 THR HA H 11 4.472 4.382 0.090 2
1 44 . 1 1 A 11 11 THR CB C 11 69.821 69.105 0.716 2
1 50 . 1 1 A 11 11 THR C C 11 174.562 174.352 0.210 2
1 51 . 1 1 A 12 12 THR N N 12 114.598 119.060 -4.462 2
1 52 . 1 1 A 12 12 THR H H 12 7.915 8.156 -0.241 2
1 53 . 1 1 A 12 12 THR CA C 12 61.451 61.670 -0.219 2
1 54 . 1 1 A 12 12 THR HA H 12 4.492 4.686 -0.194 2
1 55 . 1 1 A 12 12 THR CB C 12 70.427 71.499 -1.072 2
1 61 . 1 1 A 12 12 THR C C 12 174.236 174.124 0.112 2
1 62 . 1 1 A 13 13 SER N N 13 117.902 121.428 -3.526 2
1 63 . 1 1 A 13 13 SER H H 13 8.580 8.651 -0.071 2
1 64 . 1 1 A 13 13 SER CA C 13 58.138 58.221 -0.083 2
1 65 . 1 1 A 13 13 SER HA H 13 4.684 4.610 0.074 2
1 66 . 1 1 A 13 13 SER CB C 13 65.065 61.548 3.517 2
1 68 . 1 1 A 13 13 SER C C 13 172.108 173.641 -1.533 2
1 70 . 1 1 A 14 14 GLU N N 14 124.193 124.820 -0.627 2
1 71 . 1 1 A 14 14 GLU H H 14 8.386 8.779 -0.393 2
1 72 . 1 1 A 14 14 GLU CA C 14 54.181 56.071 -1.890 2
1 73 . 1 1 A 14 14 GLU HA H 14 5.048 4.982 0.066 2
1 74 . 1 1 A 14 14 GLU CB C 14 33.085 31.383 1.702 2
1 78 . 1 1 A 14 14 GLU C C 14 175.059 176.147 -1.088 2
1 81 . 1 1 A 15 15 CYS N N 15 126.927 124.979 1.948 2
1 82 . 1 1 A 15 15 CYS H H 15 9.263 9.043 0.220 2
1 83 . 1 1 A 15 15 CYS CA C 15 59.573 58.607 0.966 2
1 84 . 1 1 A 15 15 CYS HA H 15 4.562 4.581 -0.019 2
1 85 . 1 1 A 15 15 CYS CB C 15 29.667 27.897 1.770 2
1 87 . 1 1 A 15 15 CYS C C 15 177.427 175.976 1.451 2
1 89 . 1 1 A 16 16 GLN N N 16 131.467 126.839 4.628 2
1 90 . 1 1 A 16 16 GLN H H 16 9.521 8.685 0.836 2
1 91 . 1 1 A 16 16 GLN CA C 16 57.973 58.155 -0.182 2
1 92 . 1 1 A 16 16 GLN HA H 16 4.175 4.076 0.099 2
1 93 . 1 1 A 16 16 GLN CB C 16 28.562 28.017 0.544 2
1 100 . 1 1 A 16 16 GLN C C 16 176.140 177.872 -1.732 2
1 103 . 1 1 A 17 17 GLU N N 17 120.316 118.613 1.703 2
1 104 . 1 1 A 17 17 GLU H H 17 8.682 8.119 0.563 2
1 105 . 1 1 A 17 17 GLU CA C 17 58.362 58.878 -0.516 2
1 106 . 1 1 A 17 17 GLU HA H 17 4.233 4.024 0.209 2
1 107 . 1 1 A 17 17 GLU CB C 17 29.552 29.400 0.152 2
1 111 . 1 1 A 17 17 GLU C C 17 177.303 178.085 -0.782 2
1 114 . 1 1 A 18 18 CYS N N 18 114.810 115.040 -0.230 2
1 115 . 1 1 A 18 18 CYS H H 18 8.042 7.933 0.109 2
1 116 . 1 1 A 18 18 CYS CA C 18 58.513 59.509 -0.996 2
1 117 . 1 1 A 18 18 CYS HA H 18 5.154 4.685 0.469 2
1 118 . 1 1 A 18 18 CYS CB C 18 32.408 30.103 2.305 2
1 120 . 1 1 A 18 18 CYS C C 18 176.323 175.523 0.800 2
1 122 . 1 1 A 19 19 GLY N N 19 113.476 110.136 3.340 2
1 123 . 1 1 A 19 19 GLY H H 19 8.183 8.482 -0.299 2
1 124 . 1 1 A 19 19 GLY CA C 19 46.149 45.439 0.710 2
1 125 . 1 1 A 19 19 GLY HA3 H 19 4.200 4.042 0.158 2
1 126 . 1 1 A 19 19 GLY C C 19 173.814 174.298 -0.484 2
1 127 . 1 1 A 19 19 GLY HA2 H 19 3.921 4.036 -0.115 2
1 128 . 1 1 A 20 20 LYS N N 20 122.183 120.364 1.819 2
1 129 . 1 1 A 20 20 LYS H H 20 7.830 7.720 0.110 2
1 130 . 1 1 A 20 20 LYS CA C 20 58.063 54.626 3.437 2
1 131 . 1 1 A 20 20 LYS HA H 20 3.979 4.495 -0.516 2
1 132 . 1 1 A 20 20 LYS CB C 20 34.034 34.128 -0.094 2
1 140 . 1 1 A 20 20 LYS C C 20 174.133 175.237 -1.104 2
1 145 . 1 1 A 21 21 ILE N N 21 120.927 127.822 -6.895 2
1 146 . 1 1 A 21 21 ILE H H 21 7.770 8.440 -0.670 2
1 147 . 1 1 A 21 21 ILE CA C 21 60.180 60.938 -0.758 2
1 148 . 1 1 A 21 21 ILE HA H 21 4.452 4.241 0.211 2
1 149 . 1 1 A 21 21 ILE CB C 21 39.694 37.945 1.749 2
1 161 . 1 1 A 21 21 ILE C C 21 175.461 175.142 0.319 2
1 163 . 1 1 A 22 22 PHE N N 22 123.258 124.978 -1.720 2
1 164 . 1 1 A 22 22 PHE H H 22 8.648 8.706 -0.058 2
1 165 . 1 1 A 22 22 PHE CA C 22 56.828 56.334 0.494 2
1 166 . 1 1 A 22 22 PHE HA H 22 4.710 4.889 -0.179 2
1 167 . 1 1 A 22 22 PHE CB C 22 43.452 41.982 1.470 2
1 179 . 1 1 A 22 22 PHE C C 22 176.151 175.738 0.413 2
1 181 . 1 1 A 23 23 ARG N N 23 119.153 125.519 -6.366 2
1 182 . 1 1 A 23 23 ARG H H 23 9.094 8.921 0.173 2
1 183 . 1 1 A 23 23 ARG CA C 23 57.288 59.702 -2.414 2
1 184 . 1 1 A 23 23 ARG HA H 23 4.241 3.978 0.263 2
1 185 . 1 1 A 23 23 ARG CB C 23 30.571 30.538 0.033 2
1 191 . 1 1 A 23 23 ARG C C 23 174.928 175.966 -1.038 2
1 195 . 1 1 A 24 24 HIS N N 24 113.877 113.465 0.412 2
1 196 . 1 1 A 24 24 HIS H H 24 7.141 7.456 -0.315 2
1 197 . 1 1 A 24 24 HIS CA C 24 56.129 53.689 2.440 2
1 198 . 1 1 A 24 24 HIS HA H 24 4.863 4.897 -0.034 2
1 199 . 1 1 A 24 24 HIS CB C 24 34.501 32.486 2.015 2
1 205 . 1 1 A 24 24 HIS C C 24 176.303 175.986 0.317 2
1 207 . 1 1 A 25 25 SER CA C 25 61.779 62.137 -0.358 2
1 208 . 1 1 A 25 25 SER HA H 25 4.060 4.019 0.041 2
1 209 . 1 1 A 25 25 SER CB C 25 62.462 62.829 -0.367 2
1 212 . 1 1 A 26 26 SER N N 26 119.893 116.617 3.276 2
1 213 . 1 1 A 26 26 SER H H 26 9.650 8.317 1.333 2
1 214 . 1 1 A 26 26 SER CA C 26 61.866 62.463 -0.597 2
1 215 . 1 1 A 26 26 SER HA H 26 3.950 4.165 -0.215 2
1 216 . 1 1 A 26 26 SER CB C 26 61.788 62.769 -0.981 2
1 218 . 1 1 A 26 26 SER C C 26 176.964 176.633 0.331 2
1 220 . 1 1 A 27 27 LEU N N 27 121.674 120.843 0.831 2
1 221 . 1 1 A 27 27 LEU H H 27 7.141 7.795 -0.654 2
1 222 . 1 1 A 27 27 LEU CA C 27 56.669 57.982 -1.313 2
1 223 . 1 1 A 27 27 LEU HA H 27 4.170 3.815 0.355 2
1 224 . 1 1 A 27 27 LEU CB C 27 41.962 41.545 0.417 2
1 236 . 1 1 A 27 27 LEU C C 27 179.312 178.966 0.346 2
1 238 . 1 1 A 28 28 LEU N N 28 121.976 119.259 2.717 2
1 239 . 1 1 A 28 28 LEU H H 28 7.075 7.906 -0.831 2
1 240 . 1 1 A 28 28 LEU CA C 28 57.616 57.398 0.218 2
1 241 . 1 1 A 28 28 LEU HA H 28 3.216 2.685 0.531 2
1 242 . 1 1 A 28 28 LEU CB C 28 40.475 41.390 -0.915 2
1 254 . 1 1 A 28 28 LEU C C 28 177.651 178.413 -0.762 2
1 256 . 1 1 A 29 29 ILE N N 29 119.789 119.305 0.484 2
1 257 . 1 1 A 29 29 ILE H H 29 7.956 8.388 -0.432 2
1 258 . 1 1 A 29 29 ILE CA C 29 64.818 65.272 -0.454 2
1 259 . 1 1 A 29 29 ILE HA H 29 3.770 3.494 0.276 2
1 260 . 1 1 A 29 29 ILE CB C 29 37.729 37.727 0.002 2
1 272 . 1 1 A 29 29 ILE C C 29 179.269 178.055 1.214 2
1 274 . 1 1 A 30 30 GLU N N 30 119.089 119.783 -0.694 2
1 275 . 1 1 A 30 30 GLU H H 30 7.425 7.977 -0.552 2
1 276 . 1 1 A 30 30 GLU CA C 30 59.239 59.373 -0.134 2
1 277 . 1 1 A 30 30 GLU HA H 30 4.030 3.977 0.053 2
1 278 . 1 1 A 30 30 GLU CB C 30 29.976 29.270 0.706 2
1 282 . 1 1 A 30 30 GLU C C 30 178.534 178.617 -0.083 2
1 285 . 1 1 A 31 31 HIS N N 31 118.679 120.709 -2.030 2
1 286 . 1 1 A 31 31 HIS H H 31 7.493 7.755 -0.262 2
1 287 . 1 1 A 31 31 HIS CA C 31 58.956 59.432 -0.476 2
1 288 . 1 1 A 31 31 HIS HA H 31 4.224 4.148 0.076 2
1 289 . 1 1 A 31 31 HIS CB C 31 28.605 29.559 -0.954 2
1 295 . 1 1 A 31 31 HIS C C 31 176.314 177.170 -0.856 2
1 297 . 1 1 A 32 32 GLN N N 32 116.911 117.674 -0.763 2
1 298 . 1 1 A 32 32 GLN H H 32 8.454 8.629 -0.175 2
1 299 . 1 1 A 32 32 GLN CA C 32 59.194 59.059 0.135 2
1 300 . 1 1 A 32 32 GLN HA H 32 3.772 3.917 -0.145 2
1 301 . 1 1 A 32 32 GLN CB C 32 28.057 28.175 -0.118 2
1 308 . 1 1 A 32 32 GLN C C 32 178.135 178.168 -0.033 2
1 311 . 1 1 A 33 33 ALA N N 33 121.580 121.491 0.089 2
1 312 . 1 1 A 33 33 ALA H H 33 7.279 7.591 -0.312 2
1 313 . 1 1 A 33 33 ALA CA C 33 54.593 54.928 -0.335 2
1 314 . 1 1 A 33 33 ALA HA H 33 4.163 4.048 0.115 2
1 315 . 1 1 A 33 33 ALA CB C 33 18.182 18.496 -0.314 2
1 319 . 1 1 A 33 33 ALA C C 33 179.581 179.751 -0.170 2
1 320 . 1 1 A 34 34 LEU N N 34 117.524 116.985 0.539 2
1 321 . 1 1 A 34 34 LEU H H 34 7.733 7.664 0.069 2
1 322 . 1 1 A 34 34 LEU CA C 34 56.653 57.869 -1.216 2
1 323 . 1 1 A 34 34 LEU HA H 34 4.058 3.874 0.184 2
1 324 . 1 1 A 34 34 LEU CB C 34 41.217 41.184 0.032 2
1 336 . 1 1 A 34 34 LEU C C 34 179.011 178.609 0.402 2
1 338 . 1 1 A 35 35 HIS N N 35 115.390 118.243 -2.853 2
1 339 . 1 1 A 35 35 HIS H H 35 7.175 7.991 -0.816 2
1 340 . 1 1 A 35 35 HIS CA C 35 55.525 59.051 -3.526 2
1 341 . 1 1 A 35 35 HIS HA H 35 4.738 4.364 0.374 2
1 342 . 1 1 A 35 35 HIS CB C 35 28.715 29.463 -0.748 2
1 348 . 1 1 A 35 35 HIS C C 35 175.385 176.618 -1.233 2
1 350 . 1 1 A 36 36 ALA N N 36 122.651 120.231 2.420 2
1 351 . 1 1 A 36 36 ALA H H 36 7.634 7.596 0.039 2
1 352 . 1 1 A 36 36 ALA CA C 36 53.281 53.332 -0.051 2
1 353 . 1 1 A 36 36 ALA HA H 36 4.328 4.141 0.187 2
1 354 . 1 1 A 36 36 ALA CB C 36 19.154 18.861 0.293 2
1 358 . 1 1 A 36 36 ALA C C 36 178.273 177.999 0.274 2
1 359 . 1 1 A 37 37 GLY N N 37 107.266 108.048 -0.782 2
1 360 . 1 1 A 37 37 GLY H H 37 8.163 8.188 -0.025 2
1 361 . 1 1 A 37 37 GLY CA C 37 45.358 45.866 -0.508 2
1 362 . 1 1 A 37 37 GLY HA3 H 37 3.964 4.073 -0.109 2
1 363 . 1 1 A 37 37 GLY C C 37 174.369 173.783 0.586 2
1 364 . 1 1 A 37 37 GLY HA2 H 37 4.027 4.067 -0.040 2
1 365 . 1 1 A 38 38 GLU N N 38 120.486 121.072 -0.586 2
1 366 . 1 1 A 38 38 GLU H H 38 8.160 8.289 -0.129 2
1 367 . 1 1 A 38 38 GLU CA C 38 56.658 56.203 0.455 2
1 368 . 1 1 A 38 38 GLU HA H 38 4.357 4.502 -0.145 2
1 369 . 1 1 A 38 38 GLU CB C 38 30.381 30.586 -0.205 2
1 373 . 1 1 A 38 38 GLU C C 38 176.730 176.145 0.585 2
1 376 . 1 1 A 39 39 SER N N 39 116.555 116.697 -0.142 2
1 377 . 1 1 A 39 39 SER H H 39 8.391 8.390 0.001 2
1 378 . 1 1 A 39 39 SER CA C 39 58.397 58.190 0.208 2
1 379 . 1 1 A 39 39 SER HA H 39 4.515 4.738 -0.223 2
1 380 . 1 1 A 39 39 SER CB C 39 63.960 64.614 -0.654 2
1 382 . 1 1 A 39 39 SER C C 39 174.602 174.094 0.508 2
1 384 . 1 1 A 40 40 GLY N N 40 110.681 110.448 0.233 2
1 385 . 1 1 A 40 40 GLY H H 40 8.239 8.253 -0.014 2
1 386 . 1 1 A 40 40 GLY CA C 40 44.666 44.966 -0.300 2
1 387 . 1 1 A 40 40 GLY HA3 H 40 4.087 4.134 -0.047 2
1 388 . 1 1 A 40 40 GLY C C 40 171.769 173.450 -1.681 2
1 389 . 1 1 A 40 40 GLY HA2 H 40 4.185 4.133 0.052 2
1 390 . 1 1 A 41 41 PRO CA C 41 63.229 63.300 -0.071 2
1 391 . 1 1 A 41 41 PRO HA H 41 4.489 4.553 -0.064 2
1 392 . 1 1 A 41 41 PRO CB C 41 32.192 31.832 0.360 2
1 398 . 1 1 A 41 41 PRO C C 41 177.375 176.645 0.730 2
1 402 . 1 1 A 42 42 SER N N 42 116.504 115.570 0.934 2
1 403 . 1 1 A 42 42 SER H H 42 8.544 8.294 0.250 2
1 404 . 1 1 A 42 42 SER CA C 42 58.364 58.744 -0.380 2
1 405 . 1 1 A 42 42 SER HA H 42 4.470 4.481 -0.011 2
1 406 . 1 1 A 42 42 SER CB C 42 64.062 63.611 0.451 2
1 408 . 1 1 A 42 42 SER C C 42 174.704 174.212 0.492 2
1 410 . 1 1 A 43 43 SER N N 43 117.992 117.764 0.228 2
1 411 . 1 1 A 43 43 SER H H 43 8.358 8.469 -0.111 2
stop_
save_