data_16382_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16382
_Entry.PDB_ID 2KL3
_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 14 . 1 1 1 A 2 2 GLU H H 2 8.824 8.937 -0.113 1
1 15 . 1 1 1 A 2 2 GLU HA H 2 4.687 4.625 0.062 1
1 20 . 1 1 1 A 2 2 GLU C C 2 175.506 176.415 -0.909 1
1 21 . 1 1 1 A 2 2 GLU CA C 2 54.603 54.344 0.259 1
1 22 . 1 1 1 A 2 2 GLU CB C 2 29.310 29.296 0.014 1
1 24 . 1 1 1 A 2 2 GLU N N 2 125.698 122.030 3.668 1
1 25 . 1 1 1 A 3 3 PRO HA H 3 4.398 4.304 0.094 1
1 32 . 1 1 1 A 3 3 PRO C C 3 176.267 176.637 -0.370 1
1 33 . 1 1 1 A 3 3 PRO CA C 3 64.781 64.691 0.090 1
1 34 . 1 1 1 A 3 3 PRO CB C 3 31.918 31.922 -0.004 1
1 37 . 1 1 1 A 4 4 GLN H H 4 7.738 8.007 -0.269 1
1 38 . 1 1 1 A 4 4 GLN HA H 4 4.908 4.826 0.082 1
1 45 . 1 1 1 A 4 4 GLN C C 4 175.006 173.783 1.223 1
1 46 . 1 1 1 A 4 4 GLN CA C 4 54.697 54.609 0.088 1
1 47 . 1 1 1 A 4 4 GLN CB C 4 31.196 30.733 0.463 1
1 49 . 1 1 1 A 4 4 GLN N N 4 114.971 118.702 -3.731 1
1 51 . 1 1 1 A 5 5 SER H H 5 9.180 8.947 0.233 1
1 52 . 1 1 1 A 5 5 SER HA H 5 4.825 5.265 -0.440 1
1 55 . 1 1 1 A 5 5 SER C C 5 172.669 172.500 0.169 1
1 56 . 1 1 1 A 5 5 SER CA C 5 58.100 56.230 1.870 1
1 57 . 1 1 1 A 5 5 SER CB C 5 65.536 65.831 -0.295 1
1 58 . 1 1 1 A 5 5 SER N N 5 117.801 119.555 -1.754 1
1 59 . 1 1 1 A 6 6 ASP H H 6 8.386 8.667 -0.281 1
1 60 . 1 1 1 A 6 6 ASP HA H 6 4.841 4.632 0.209 1
1 63 . 1 1 1 A 6 6 ASP C C 6 177.071 177.395 -0.324 1
1 64 . 1 1 1 A 6 6 ASP CA C 6 53.810 54.269 -0.459 1
1 65 . 1 1 1 A 6 6 ASP CB C 6 42.427 42.440 -0.013 1
1 66 . 1 1 1 A 6 6 ASP N N 6 123.042 125.757 -2.715 1
1 67 . 1 1 1 A 7 7 ALA H H 7 9.312 8.835 0.477 1
1 68 . 1 1 1 A 7 7 ALA HA H 7 4.036 4.184 -0.148 1
1 72 . 1 1 1 A 7 7 ALA C C 7 178.859 180.035 -1.176 1
1 73 . 1 1 1 A 7 7 ALA CA C 7 55.703 55.413 0.290 1
1 74 . 1 1 1 A 7 7 ALA CB C 7 17.952 18.185 -0.233 1
1 75 . 1 1 1 A 7 7 ALA N N 7 123.976 127.796 -3.820 1
1 76 . 1 1 1 A 8 8 HIS H H 8 8.537 7.696 0.841 1
1 77 . 1 1 1 A 8 8 HIS HA H 8 3.950 4.276 -0.326 1
1 82 . 1 1 1 A 8 8 HIS C C 8 178.023 177.956 0.067 1
1 83 . 1 1 1 A 8 8 HIS CA C 8 59.778 57.933 1.845 1
1 84 . 1 1 1 A 8 8 HIS CB C 8 29.039 28.473 0.566 1
1 87 . 1 1 1 A 8 8 HIS N N 8 114.303 115.563 -1.260 1
1 90 . 1 1 1 A 9 9 VAL H H 9 7.567 8.090 -0.523 1
1 91 . 1 1 1 A 9 9 VAL HA H 9 3.709 3.566 0.143 1
1 99 . 1 1 1 A 9 9 VAL C C 9 178.518 178.312 0.206 1
1 100 . 1 1 1 A 9 9 VAL CA C 9 65.508 67.046 -1.538 1
1 101 . 1 1 1 A 9 9 VAL CB C 9 31.604 31.596 0.008 1
1 104 . 1 1 1 A 9 9 VAL N N 9 121.235 121.227 0.008 1
1 105 . 1 1 1 A 10 10 LEU H H 10 7.219 8.062 -0.843 1
1 106 . 1 1 1 A 10 10 LEU HA H 10 3.716 3.885 -0.169 1
1 116 . 1 1 1 A 10 10 LEU C C 10 177.133 178.149 -1.016 1
1 117 . 1 1 1 A 10 10 LEU CA C 10 57.133 58.479 -1.346 1
1 118 . 1 1 1 A 10 10 LEU CB C 10 40.756 41.089 -0.333 1
1 122 . 1 1 1 A 10 10 LEU N N 10 120.890 120.184 0.706 1
1 123 . 1 1 1 A 11 11 LYS H H 11 8.568 8.180 0.388 1
1 124 . 1 1 1 A 11 11 LYS HA H 11 3.943 3.904 0.039 1
1 133 . 1 1 1 A 11 11 LYS C C 11 178.143 178.936 -0.793 1
1 134 . 1 1 1 A 11 11 LYS CA C 11 60.388 59.694 0.694 1
1 135 . 1 1 1 A 11 11 LYS CB C 11 32.354 31.848 0.506 1
1 139 . 1 1 1 A 11 11 LYS N N 11 120.361 119.824 0.537 1
1 140 . 1 1 1 A 12 12 SER H H 12 7.865 8.518 -0.653 1
1 141 . 1 1 1 A 12 12 SER HA H 12 4.225 4.422 -0.197 1
1 144 . 1 1 1 A 12 12 SER C C 12 175.839 175.940 -0.101 1
1 145 . 1 1 1 A 12 12 SER CA C 12 61.626 61.862 -0.236 1
1 146 . 1 1 1 A 12 12 SER CB C 12 62.749 62.767 -0.018 1
1 147 . 1 1 1 A 12 12 SER N N 12 113.173 117.725 -4.552 1
1 148 . 1 1 1 A 13 13 ARG H H 13 7.701 7.955 -0.254 1
1 149 . 1 1 1 A 13 13 ARG HA H 13 3.827 4.211 -0.384 1
1 157 . 1 1 1 A 13 13 ARG C C 13 178.606 178.614 -0.008 1
1 158 . 1 1 1 A 13 13 ARG CA C 13 58.926 58.746 0.180 1
1 159 . 1 1 1 A 13 13 ARG CB C 13 29.616 30.039 -0.423 1
1 162 . 1 1 1 A 13 13 ARG N N 13 122.104 121.552 0.552 1
1 164 . 1 1 1 A 14 14 LEU H H 14 8.308 8.304 0.004 1
1 165 . 1 1 1 A 14 14 LEU HA H 14 4.219 4.424 -0.205 1
1 175 . 1 1 1 A 14 14 LEU C C 14 178.590 178.729 -0.139 1
1 176 . 1 1 1 A 14 14 LEU CA C 14 57.904 58.014 -0.110 1
1 177 . 1 1 1 A 14 14 LEU CB C 14 42.627 42.085 0.542 1
1 181 . 1 1 1 A 14 14 LEU N N 14 119.549 120.989 -1.440 1
1 182 . 1 1 1 A 15 15 GLU H H 15 7.824 8.126 -0.302 1
1 183 . 1 1 1 A 15 15 GLU HA H 15 3.998 4.119 -0.121 1
1 188 . 1 1 1 A 15 15 GLU C C 15 177.805 178.472 -0.667 1
1 189 . 1 1 1 A 15 15 GLU CA C 15 58.219 58.988 -0.769 1
1 190 . 1 1 1 A 15 15 GLU CB C 15 29.865 30.360 -0.495 1
1 192 . 1 1 1 A 15 15 GLU N N 15 116.921 118.001 -1.080 1
1 193 . 1 1 1 A 16 16 TRP H H 16 7.905 8.398 -0.493 1
1 194 . 1 1 1 A 16 16 TRP HA H 16 4.895 4.635 0.260 1
1 203 . 1 1 1 A 16 16 TRP C C 16 176.778 176.833 -0.055 1
1 204 . 1 1 1 A 16 16 TRP CA C 16 57.033 59.181 -2.148 1
1 205 . 1 1 1 A 16 16 TRP CB C 16 30.513 30.595 -0.082 1
1 211 . 1 1 1 A 16 16 TRP N N 16 116.589 119.841 -3.252 1
1 213 . 1 1 1 A 17 17 GLY H H 17 8.007 7.699 0.308 1
1 214 . 1 1 1 A 17 17 GLY HA2 H 17 3.979 4.141 -0.162 1
1 215 . 1 1 1 A 17 17 GLY HA3 H 17 4.200 4.152 0.048 1
1 216 . 1 1 1 A 17 17 GLY C C 17 173.650 173.421 0.229 1
1 217 . 1 1 1 A 17 17 GLY CA C 17 44.786 44.254 0.532 1
1 218 . 1 1 1 A 17 17 GLY N N 17 108.398 108.302 0.096 1
1 219 . 1 1 1 A 18 18 GLU H H 18 8.483 8.497 -0.014 1
1 220 . 1 1 1 A 18 18 GLU HA H 18 4.534 4.723 -0.189 1
1 225 . 1 1 1 A 18 18 GLU C C 18 176.535 176.207 0.328 1
1 226 . 1 1 1 A 18 18 GLU CA C 18 54.615 53.615 1.000 1
1 227 . 1 1 1 A 18 18 GLU CB C 18 29.654 30.011 -0.357 1
1 229 . 1 1 1 A 18 18 GLU N N 18 121.984 119.938 2.046 1
1 230 . 1 1 1 A 19 19 PRO HA H 19 4.549 3.935 0.614 1
1 237 . 1 1 1 A 19 19 PRO C C 19 176.737 177.175 -0.438 1
1 238 . 1 1 1 A 19 19 PRO CA C 19 63.685 65.866 -2.181 1
1 239 . 1 1 1 A 19 19 PRO CB C 19 30.940 30.942 -0.002 1
1 242 . 1 1 1 A 20 20 ALA H H 20 8.386 7.790 0.596 1
1 243 . 1 1 1 A 20 20 ALA HA H 20 4.536 3.865 0.671 1
1 247 . 1 1 1 A 20 20 ALA C C 20 174.844 175.896 -1.052 1
1 248 . 1 1 1 A 20 20 ALA CA C 20 51.312 53.344 -2.032 1
1 249 . 1 1 1 A 20 20 ALA CB C 20 17.883 18.010 -0.127 1
1 250 . 1 1 1 A 20 20 ALA N N 20 126.537 118.785 7.752 1
1 251 . 1 1 1 A 21 21 PHE H H 21 7.244 7.254 -0.010 1
1 252 . 1 1 1 A 21 21 PHE HA H 21 5.485 5.645 -0.160 1
1 260 . 1 1 1 A 21 21 PHE C C 21 173.639 173.396 0.243 1
1 261 . 1 1 1 A 21 21 PHE CA C 21 55.312 55.623 -0.311 1
1 262 . 1 1 1 A 21 21 PHE CB C 21 41.581 41.989 -0.408 1
1 268 . 1 1 1 A 21 21 PHE N N 21 115.447 112.197 3.250 1
1 269 . 1 1 1 A 22 22 THR H H 22 9.203 9.332 -0.129 1
1 270 . 1 1 1 A 22 22 THR HA H 22 4.583 5.120 -0.537 1
1 275 . 1 1 1 A 22 22 THR C C 22 171.987 173.501 -1.514 1
1 276 . 1 1 1 A 22 22 THR CA C 22 62.368 61.846 0.522 1
1 277 . 1 1 1 A 22 22 THR CB C 22 72.961 70.870 2.091 1
1 279 . 1 1 1 A 22 22 THR N N 22 119.035 114.999 4.036 1
1 280 . 1 1 1 A 23 23 ILE H H 23 9.318 9.410 -0.092 1
1 281 . 1 1 1 A 23 23 ILE HA H 23 5.172 5.316 -0.144 1
1 291 . 1 1 1 A 23 23 ILE C C 23 173.969 175.498 -1.529 1
1 292 . 1 1 1 A 23 23 ILE CA C 23 59.958 60.480 -0.522 1
1 293 . 1 1 1 A 23 23 ILE CB C 23 40.273 38.478 1.795 1
1 297 . 1 1 1 A 23 23 ILE N N 23 127.452 129.360 -1.908 1
1 298 . 1 1 1 A 24 24 LEU H H 24 9.522 9.387 0.135 1
1 299 . 1 1 1 A 24 24 LEU HA H 24 4.871 5.058 -0.187 1
1 309 . 1 1 1 A 24 24 LEU C C 24 172.823 175.006 -2.183 1
1 310 . 1 1 1 A 24 24 LEU CA C 24 53.100 53.275 -0.175 1
1 311 . 1 1 1 A 24 24 LEU CB C 24 44.522 43.281 1.241 1
1 315 . 1 1 1 A 24 24 LEU N N 24 127.148 128.760 -1.612 1
1 316 . 1 1 1 A 25 25 ASP H H 25 8.325 8.832 -0.507 1
1 317 . 1 1 1 A 25 25 ASP HA H 25 4.112 4.224 -0.112 1
1 320 . 1 1 1 A 25 25 ASP C C 25 177.457 176.783 0.674 1
1 321 . 1 1 1 A 25 25 ASP CA C 25 51.097 52.846 -1.749 1
1 322 . 1 1 1 A 25 25 ASP CB C 25 43.056 40.824 2.232 1
1 323 . 1 1 1 A 25 25 ASP N N 25 122.856 124.019 -1.163 1
1 324 . 1 1 1 A 26 26 VAL H H 26 7.924 7.831 0.093 1
1 325 . 1 1 1 A 26 26 VAL HA H 26 4.964 4.595 0.369 1
1 333 . 1 1 1 A 26 26 VAL C C 26 176.585 176.946 -0.361 1
1 334 . 1 1 1 A 26 26 VAL CA C 26 59.554 61.265 -1.711 1
1 335 . 1 1 1 A 26 26 VAL CB C 26 30.002 31.933 -1.931 1
1 338 . 1 1 1 A 26 26 VAL N N 26 117.391 119.935 -2.544 1
1 339 . 1 1 1 A 27 27 ARG H H 27 7.773 7.340 0.433 1
1 340 . 1 1 1 A 27 27 ARG HA H 27 4.418 4.064 0.354 1
1 352 . 1 1 1 A 27 27 ARG C C 27 173.931 175.963 -2.032 1
1 353 . 1 1 1 A 27 27 ARG CA C 27 55.487 58.405 -2.918 1
1 354 . 1 1 1 A 27 27 ARG CB C 27 30.337 30.850 -0.513 1
1 357 . 1 1 1 A 27 27 ARG N N 27 121.126 120.378 0.748 1
1 361 . 1 1 1 A 28 28 ASP H H 28 7.792 7.754 0.038 1
1 362 . 1 1 1 A 28 28 ASP HA H 28 4.431 4.810 -0.379 1
1 365 . 1 1 1 A 28 28 ASP C C 28 176.402 175.887 0.515 1
1 366 . 1 1 1 A 28 28 ASP CA C 28 54.427 53.849 0.578 1
1 367 . 1 1 1 A 28 28 ASP CB C 28 41.498 44.060 -2.562 1
1 368 . 1 1 1 A 28 28 ASP N N 28 115.368 114.805 0.563 1
1 369 . 1 1 1 A 29 29 ARG H H 29 8.781 8.714 0.067 1
1 370 . 1 1 1 A 29 29 ARG HA H 29 3.853 3.899 -0.046 1
1 378 . 1 1 1 A 29 29 ARG C C 29 177.811 177.768 0.043 1
1 379 . 1 1 1 A 29 29 ARG CA C 29 58.920 59.912 -0.992 1
1 380 . 1 1 1 A 29 29 ARG CB C 29 29.762 30.046 -0.284 1
1 383 . 1 1 1 A 29 29 ARG N N 29 121.538 125.440 -3.902 1
1 385 . 1 1 1 A 30 30 SER H H 30 8.478 8.532 -0.054 1
1 386 . 1 1 1 A 30 30 SER HA H 30 4.190 4.224 -0.034 1
1 389 . 1 1 1 A 30 30 SER C C 30 176.814 177.344 -0.530 1
1 390 . 1 1 1 A 30 30 SER CA C 30 61.929 61.307 0.622 1
1 391 . 1 1 1 A 30 30 SER CB C 30 62.051 62.464 -0.413 1
1 392 . 1 1 1 A 30 30 SER N N 30 113.937 115.316 -1.379 1
1 393 . 1 1 1 A 31 31 THR H H 31 7.724 8.013 -0.289 1
1 394 . 1 1 1 A 31 31 THR HA H 31 4.096 3.924 0.172 1
1 399 . 1 1 1 A 31 31 THR C C 31 176.940 175.949 0.991 1
1 400 . 1 1 1 A 31 31 THR CA C 31 66.078 66.570 -0.492 1
1 401 . 1 1 1 A 31 31 THR CB C 31 67.583 68.359 -0.776 1
1 403 . 1 1 1 A 31 31 THR N N 31 120.025 117.647 2.378 1
1 404 . 1 1 1 A 32 32 TYR H H 32 8.186 8.590 -0.404 1
1 405 . 1 1 1 A 32 32 TYR HA H 32 4.009 4.180 -0.171 1
1 410 . 1 1 1 A 32 32 TYR C C 32 180.166 177.562 2.604 1
1 411 . 1 1 1 A 32 32 TYR CA C 32 61.797 62.349 -0.552 1
1 412 . 1 1 1 A 32 32 TYR CB C 32 37.300 38.655 -1.355 1
1 415 . 1 1 1 A 32 32 TYR N N 32 123.636 122.329 1.307 1
1 416 . 1 1 1 A 33 33 ASN H H 33 8.838 8.054 0.784 1
1 417 . 1 1 1 A 33 33 ASN HA H 33 4.435 4.363 0.072 1
1 422 . 1 1 1 A 33 33 ASN C C 33 176.730 177.518 -0.788 1
1 423 . 1 1 1 A 33 33 ASN CA C 33 55.167 56.363 -1.196 1
1 424 . 1 1 1 A 33 33 ASN CB C 33 37.308 37.702 -0.394 1
1 425 . 1 1 1 A 33 33 ASN N N 33 122.000 118.225 3.775 1
1 427 . 1 1 1 A 34 34 ASP H H 34 7.510 8.234 -0.724 1
1 428 . 1 1 1 A 34 34 ASP HA H 34 4.587 4.443 0.144 1
1 431 . 1 1 1 A 34 34 ASP C C 34 177.045 176.697 0.348 1
1 432 . 1 1 1 A 34 34 ASP CA C 34 56.487 56.479 0.008 1
1 433 . 1 1 1 A 34 34 ASP CB C 34 40.822 41.330 -0.508 1
1 434 . 1 1 1 A 34 34 ASP N N 34 119.832 118.478 1.354 1
1 435 . 1 1 1 A 35 35 GLY H H 35 7.412 7.536 -0.124 1
1 436 . 1 1 1 A 35 35 GLY HA2 H 35 3.997 4.003 -0.006 1
1 437 . 1 1 1 A 35 35 GLY HA3 H 35 3.997 4.045 -0.048 1
1 438 . 1 1 1 A 35 35 GLY C C 35 171.246 171.521 -0.275 1
1 439 . 1 1 1 A 35 35 GLY CA C 35 46.441 45.986 0.455 1
1 440 . 1 1 1 A 35 35 GLY N N 35 106.611 105.053 1.558 1
1 441 . 1 1 1 A 36 36 HIS H H 36 8.441 9.041 -0.600 1
1 442 . 1 1 1 A 36 36 HIS HA H 36 4.782 5.491 -0.709 1
1 447 . 1 1 1 A 36 36 HIS C C 36 172.800 173.806 -1.006 1
1 448 . 1 1 1 A 36 36 HIS CA C 36 53.425 53.002 0.423 1
1 449 . 1 1 1 A 36 36 HIS CB C 36 31.978 32.498 -0.520 1
1 452 . 1 1 1 A 36 36 HIS N N 36 117.929 120.636 -2.707 1
1 455 . 1 1 1 A 37 37 ILE H H 37 8.087 8.815 -0.728 1
1 456 . 1 1 1 A 37 37 ILE HA H 37 3.223 3.711 -0.488 1
1 466 . 1 1 1 A 37 37 ILE C C 37 175.423 176.062 -0.639 1
1 467 . 1 1 1 A 37 37 ILE CA C 37 64.607 61.925 2.682 1
1 468 . 1 1 1 A 37 37 ILE CB C 37 37.269 37.671 -0.402 1
1 472 . 1 1 1 A 37 37 ILE N N 37 120.831 120.970 -0.139 1
1 473 . 1 1 1 A 38 38 MET H H 38 7.625 8.482 -0.857 1
1 474 . 1 1 1 A 38 38 MET HA H 38 3.953 4.385 -0.432 1
1 482 . 1 1 1 A 38 38 MET C C 38 174.632 176.878 -2.246 1
1 483 . 1 1 1 A 38 38 MET CA C 38 57.865 56.945 0.920 1
1 484 . 1 1 1 A 38 38 MET CB C 38 32.882 32.168 0.714 1
1 487 . 1 1 1 A 38 38 MET N N 38 128.683 125.960 2.723 1
1 488 . 1 1 1 A 39 39 GLY H H 39 8.795 8.852 -0.057 1
1 489 . 1 1 1 A 39 39 GLY HA2 H 39 3.727 4.070 -0.343 1
1 490 . 1 1 1 A 39 39 GLY HA3 H 39 4.345 4.081 0.264 1
1 491 . 1 1 1 A 39 39 GLY C C 39 175.442 174.472 0.970 1
1 492 . 1 1 1 A 39 39 GLY CA C 39 44.964 45.099 -0.135 1
1 493 . 1 1 1 A 39 39 GLY N N 39 113.814 114.328 -0.514 1
1 494 . 1 1 1 A 40 40 ALA H H 40 8.566 8.118 0.448 1
1 495 . 1 1 1 A 40 40 ALA HA H 40 4.656 4.433 0.223 1
1 499 . 1 1 1 A 40 40 ALA C C 40 177.459 177.498 -0.039 1
1 500 . 1 1 1 A 40 40 ALA CA C 40 52.139 52.613 -0.474 1
1 501 . 1 1 1 A 40 40 ALA CB C 40 20.657 20.023 0.634 1
1 502 . 1 1 1 A 40 40 ALA N N 40 122.444 124.142 -1.698 1
1 503 . 1 1 1 A 41 41 MET H H 41 9.268 8.885 0.383 1
1 504 . 1 1 1 A 41 41 MET HA H 41 4.478 5.433 -0.955 1
1 512 . 1 1 1 A 41 41 MET C C 41 174.328 175.150 -0.822 1
1 513 . 1 1 1 A 41 41 MET CA C 41 54.330 53.053 1.277 1
1 514 . 1 1 1 A 41 41 MET CB C 41 34.473 35.430 -0.957 1
1 517 . 1 1 1 A 41 41 MET N N 41 123.908 117.454 6.454 1
1 518 . 1 1 1 A 42 42 ALA H H 42 8.162 8.222 -0.060 1
1 519 . 1 1 1 A 42 42 ALA HA H 42 3.870 4.035 -0.165 1
1 523 . 1 1 1 A 42 42 ALA C C 42 177.157 176.474 0.683 1
1 524 . 1 1 1 A 42 42 ALA CA C 42 51.888 51.246 0.642 1
1 525 . 1 1 1 A 42 42 ALA CB C 42 16.282 18.609 -2.327 1
1 526 . 1 1 1 A 42 42 ALA N N 42 126.936 123.373 3.563 1
1 527 . 1 1 1 A 43 43 MET H H 43 8.109 7.898 0.211 1
1 528 . 1 1 1 A 43 43 MET HA H 43 4.386 4.944 -0.558 1
1 536 . 1 1 1 A 43 43 MET C C 43 168.952 173.353 -4.401 1
1 537 . 1 1 1 A 43 43 MET CA C 43 53.535 52.496 1.039 1
1 538 . 1 1 1 A 43 43 MET CB C 43 34.346 33.200 1.146 1
1 541 . 1 1 1 A 43 43 MET N N 43 125.282 122.938 2.344 1
1 542 . 1 1 1 A 44 44 PRO HA H 44 3.949 4.587 -0.638 1
1 549 . 1 1 1 A 44 44 PRO C C 44 179.070 178.010 1.060 1
1 550 . 1 1 1 A 44 44 PRO CA C 44 62.524 62.781 -0.257 1
1 551 . 1 1 1 A 44 44 PRO CB C 44 32.611 32.128 0.483 1
1 554 . 1 1 1 A 45 45 ILE H H 45 7.764 8.559 -0.795 1
1 555 . 1 1 1 A 45 45 ILE HA H 45 3.851 3.905 -0.054 1
1 565 . 1 1 1 A 45 45 ILE C C 45 175.827 177.481 -1.654 1
1 566 . 1 1 1 A 45 45 ILE CA C 45 64.676 63.812 0.864 1
1 567 . 1 1 1 A 45 45 ILE CB C 45 38.991 37.661 1.330 1
1 571 . 1 1 1 A 45 45 ILE N N 45 121.655 125.536 -3.881 1
1 572 . 1 1 1 A 46 46 GLU H H 46 9.102 8.902 0.200 1
1 573 . 1 1 1 A 46 46 GLU HA H 46 4.056 4.035 0.021 1
1 578 . 1 1 1 A 46 46 GLU C C 46 176.499 178.263 -1.764 1
1 579 . 1 1 1 A 46 46 GLU CA C 46 59.349 59.203 0.146 1
1 580 . 1 1 1 A 46 46 GLU CB C 46 28.456 29.145 -0.689 1
1 582 . 1 1 1 A 46 46 GLU N N 46 121.004 119.452 1.552 1
1 583 . 1 1 1 A 47 47 ASP H H 47 7.729 7.967 -0.238 1
1 584 . 1 1 1 A 47 47 ASP HA H 47 5.059 4.477 0.582 1
1 587 . 1 1 1 A 47 47 ASP C C 47 175.683 177.473 -1.790 1
1 588 . 1 1 1 A 47 47 ASP CA C 47 53.266 55.552 -2.286 1
1 589 . 1 1 1 A 47 47 ASP CB C 47 42.048 40.923 1.125 1
1 590 . 1 1 1 A 47 47 ASP N N 47 117.171 120.376 -3.205 1
1 591 . 1 1 1 A 48 48 LEU H H 48 7.193 7.800 -0.607 1
1 592 . 1 1 1 A 48 48 LEU HA H 48 3.690 3.857 -0.167 1
1 602 . 1 1 1 A 48 48 LEU C C 48 176.829 178.254 -1.425 1
1 603 . 1 1 1 A 48 48 LEU CA C 48 58.905 58.885 0.020 1
1 604 . 1 1 1 A 48 48 LEU CB C 48 43.334 41.756 1.578 1
1 608 . 1 1 1 A 48 48 LEU N N 48 121.314 120.393 0.921 1
1 609 . 1 1 1 A 49 49 VAL H H 49 8.507 8.068 0.439 1
1 610 . 1 1 1 A 49 49 VAL HA H 49 3.290 3.499 -0.209 1
1 618 . 1 1 1 A 49 49 VAL C C 49 178.915 177.425 1.490 1
1 619 . 1 1 1 A 49 49 VAL CA C 49 67.886 66.953 0.933 1
1 620 . 1 1 1 A 49 49 VAL CB C 49 30.881 31.740 -0.859 1
1 623 . 1 1 1 A 49 49 VAL N N 49 116.698 119.310 -2.612 1
1 624 . 1 1 1 A 50 50 ASP H H 50 8.474 8.286 0.188 1
1 625 . 1 1 1 A 50 50 ASP HA H 50 4.396 4.345 0.051 1
1 628 . 1 1 1 A 50 50 ASP C C 50 178.890 179.019 -0.129 1
1 629 . 1 1 1 A 50 50 ASP CA C 50 57.477 57.462 0.015 1
1 630 . 1 1 1 A 50 50 ASP CB C 50 40.945 40.073 0.872 1
1 631 . 1 1 1 A 50 50 ASP N N 50 121.526 119.664 1.862 1
1 632 . 1 1 1 A 51 51 ARG H H 51 8.334 8.261 0.073 1
1 633 . 1 1 1 A 51 51 ARG HA H 51 4.079 3.979 0.100 1
1 641 . 1 1 1 A 51 51 ARG C C 51 179.634 178.804 0.830 1
1 642 . 1 1 1 A 51 51 ARG CA C 51 58.378 59.443 -1.065 1
1 643 . 1 1 1 A 51 51 ARG CB C 51 29.692 30.267 -0.575 1
1 646 . 1 1 1 A 51 51 ARG N N 51 118.666 119.324 -0.658 1
1 648 . 1 1 1 A 52 52 ALA H H 52 9.250 8.123 1.127 1
1 649 . 1 1 1 A 52 52 ALA HA H 52 3.752 4.142 -0.390 1
1 653 . 1 1 1 A 52 52 ALA C C 52 179.710 179.631 0.079 1
1 654 . 1 1 1 A 52 52 ALA CA C 52 55.830 55.171 0.659 1
1 655 . 1 1 1 A 52 52 ALA CB C 52 18.164 18.156 0.008 1
1 656 . 1 1 1 A 52 52 ALA N N 52 124.004 121.714 2.290 1
1 657 . 1 1 1 A 53 53 SER H H 53 8.392 8.576 -0.184 1
1 658 . 1 1 1 A 53 53 SER HA H 53 4.457 4.230 0.227 1
1 661 . 1 1 1 A 53 53 SER C C 53 175.807 177.071 -1.264 1
1 662 . 1 1 1 A 53 53 SER CA C 53 62.214 61.406 0.808 1
1 663 . 1 1 1 A 53 53 SER CB C 53 62.805 63.194 -0.389 1
1 664 . 1 1 1 A 53 53 SER N N 53 111.154 113.518 -2.364 1
1 665 . 1 1 1 A 54 54 SER H H 54 7.570 7.978 -0.408 1
1 666 . 1 1 1 A 54 54 SER HA H 54 4.512 4.253 0.259 1
1 669 . 1 1 1 A 54 54 SER C C 54 175.210 175.239 -0.029 1
1 670 . 1 1 1 A 54 54 SER CA C 54 59.567 60.461 -0.894 1
1 671 . 1 1 1 A 54 54 SER CB C 54 63.902 62.980 0.922 1
1 672 . 1 1 1 A 54 54 SER N N 54 112.745 115.834 -3.089 1
1 673 . 1 1 1 A 55 55 SER H H 55 7.501 8.115 -0.614 1
1 674 . 1 1 1 A 55 55 SER HA H 55 4.744 4.635 0.109 1
1 677 . 1 1 1 A 55 55 SER C C 55 173.106 174.362 -1.256 1
1 678 . 1 1 1 A 55 55 SER CA C 55 59.905 59.714 0.191 1
1 679 . 1 1 1 A 55 55 SER CB C 55 65.881 65.294 0.587 1
1 680 . 1 1 1 A 55 55 SER N N 55 113.238 115.081 -1.843 1
1 681 . 1 1 1 A 56 56 LEU H H 56 8.320 8.136 0.184 1
1 682 . 1 1 1 A 56 56 LEU HA H 56 4.823 4.391 0.432 1
1 692 . 1 1 1 A 56 56 LEU C C 56 175.441 177.169 -1.728 1
1 693 . 1 1 1 A 56 56 LEU CA C 56 53.476 54.803 -1.327 1
1 694 . 1 1 1 A 56 56 LEU CB C 56 44.655 42.922 1.733 1
1 698 . 1 1 1 A 56 56 LEU N N 56 122.043 119.876 2.167 1
1 699 . 1 1 1 A 57 57 GLU H H 57 8.510 8.538 -0.028 1
1 700 . 1 1 1 A 57 57 GLU HA H 57 4.334 4.615 -0.281 1
1 705 . 1 1 1 A 57 57 GLU C C 57 177.869 177.780 0.089 1
1 706 . 1 1 1 A 57 57 GLU CA C 57 55.911 54.843 1.068 1
1 707 . 1 1 1 A 57 57 GLU CB C 57 30.193 30.563 -0.370 1
1 709 . 1 1 1 A 57 57 GLU N N 57 121.479 121.227 0.252 1
1 710 . 1 1 1 A 58 58 LYS H H 58 8.513 8.572 -0.059 1
1 711 . 1 1 1 A 58 58 LYS HA H 58 3.811 3.904 -0.093 1
1 720 . 1 1 1 A 58 58 LYS C C 58 178.345 177.270 1.075 1
1 721 . 1 1 1 A 58 58 LYS CA C 58 58.526 58.782 -0.256 1
1 722 . 1 1 1 A 58 58 LYS CB C 58 31.265 31.977 -0.712 1
1 726 . 1 1 1 A 58 58 LYS N N 58 120.689 120.183 0.506 1
1 727 . 1 1 1 A 59 59 SER H H 59 7.912 7.681 0.231 1
1 728 . 1 1 1 A 59 59 SER HA H 59 4.437 3.884 0.553 1
1 731 . 1 1 1 A 59 59 SER C C 59 174.216 174.421 -0.205 1
1 732 . 1 1 1 A 59 59 SER CA C 59 57.862 57.789 0.073 1
1 733 . 1 1 1 A 59 59 SER CB C 59 63.682 63.636 0.046 1
1 734 . 1 1 1 A 59 59 SER N N 59 111.530 110.475 1.055 1
1 735 . 1 1 1 A 60 60 ARG H H 60 7.477 7.349 0.128 1
1 736 . 1 1 1 A 60 60 ARG HA H 60 4.199 4.317 -0.118 1
1 744 . 1 1 1 A 60 60 ARG C C 60 174.880 175.938 -1.058 1
1 745 . 1 1 1 A 60 60 ARG CA C 60 55.828 56.490 -0.662 1
1 746 . 1 1 1 A 60 60 ARG CB C 60 31.971 30.680 1.291 1
1 749 . 1 1 1 A 60 60 ARG N N 60 125.535 123.333 2.202 1
1 751 . 1 1 1 A 61 61 ASP H H 61 8.540 8.708 -0.168 1
1 752 . 1 1 1 A 61 61 ASP HA H 61 4.903 4.973 -0.070 1
1 755 . 1 1 1 A 61 61 ASP C C 61 175.569 175.707 -0.138 1
1 756 . 1 1 1 A 61 61 ASP CA C 61 55.438 54.393 1.045 1
1 757 . 1 1 1 A 61 61 ASP CB C 61 40.847 40.053 0.794 1
1 758 . 1 1 1 A 61 61 ASP N N 61 126.761 125.626 1.135 1
1 759 . 1 1 1 A 62 62 ILE H H 62 8.630 9.176 -0.546 1
1 760 . 1 1 1 A 62 62 ILE HA H 62 5.038 5.060 -0.022 1
1 770 . 1 1 1 A 62 62 ILE C C 62 174.444 174.705 -0.261 1
1 771 . 1 1 1 A 62 62 ILE CA C 62 59.799 60.857 -1.058 1
1 772 . 1 1 1 A 62 62 ILE CB C 62 42.130 38.715 3.415 1
1 776 . 1 1 1 A 62 62 ILE N N 62 125.212 125.468 -0.256 1
1 777 . 1 1 1 A 63 63 TYR H H 63 9.026 9.147 -0.121 1
1 778 . 1 1 1 A 63 63 TYR HA H 63 5.230 5.245 -0.015 1
1 785 . 1 1 1 A 63 63 TYR C C 63 175.088 174.442 0.646 1
1 786 . 1 1 1 A 63 63 TYR CA C 63 56.143 56.915 -0.772 1
1 787 . 1 1 1 A 63 63 TYR CB C 63 41.302 39.795 1.507 1
1 792 . 1 1 1 A 63 63 TYR N N 63 125.467 127.140 -1.673 1
1 793 . 1 1 1 A 64 64 VAL H H 64 8.523 9.078 -0.555 1
1 794 . 1 1 1 A 64 64 VAL HA H 64 5.106 4.768 0.338 1
1 802 . 1 1 1 A 64 64 VAL C C 64 174.072 175.064 -0.992 1
1 803 . 1 1 1 A 64 64 VAL CA C 64 60.302 61.665 -1.363 1
1 804 . 1 1 1 A 64 64 VAL CB C 64 35.121 33.145 1.976 1
1 807 . 1 1 1 A 64 64 VAL N N 64 121.014 123.651 -2.637 1
1 808 . 1 1 1 A 65 65 TYR H H 65 8.832 8.801 0.031 1
1 809 . 1 1 1 A 65 65 TYR HA H 65 5.289 5.692 -0.403 1
1 816 . 1 1 1 A 65 65 TYR C C 65 172.116 173.415 -1.299 1
1 817 . 1 1 1 A 65 65 TYR CA C 65 56.777 55.155 1.622 1
1 818 . 1 1 1 A 65 65 TYR CB C 65 42.528 41.934 0.594 1
1 819 . 1 1 1 A 65 65 TYR N N 65 120.331 122.990 -2.659 1
1 820 . 1 1 1 A 66 66 GLY H H 66 8.278 9.174 -0.896 1
1 821 . 1 1 1 A 66 66 GLY HA2 H 66 3.449 4.145 -0.696 1
1 822 . 1 1 1 A 66 66 GLY HA3 H 66 4.408 4.246 0.162 1
1 823 . 1 1 1 A 66 66 GLY C C 66 173.636 174.869 -1.233 1
1 824 . 1 1 1 A 66 66 GLY CA C 66 43.793 43.975 -0.182 1
1 825 . 1 1 1 A 66 66 GLY N N 66 108.458 109.075 -0.617 1
1 826 . 1 1 1 A 67 67 ALA H H 67 9.485 8.745 0.740 1
1 827 . 1 1 1 A 67 67 ALA HA H 67 4.331 4.098 0.233 1
1 831 . 1 1 1 A 67 67 ALA C C 67 176.363 177.463 -1.100 1
1 832 . 1 1 1 A 67 67 ALA CA C 67 52.848 55.019 -2.171 1
1 833 . 1 1 1 A 67 67 ALA CB C 67 18.178 19.075 -0.897 1
1 834 . 1 1 1 A 67 67 ALA N N 67 126.325 121.821 4.504 1
1 835 . 1 1 1 A 68 68 GLY H H 68 7.553 7.859 -0.306 1
1 836 . 1 1 1 A 68 68 GLY HA2 H 68 4.270 4.170 0.100 1
1 837 . 1 1 1 A 68 68 GLY HA3 H 68 4.209 4.180 0.029 1
1 838 . 1 1 1 A 68 68 GLY C C 68 173.695 174.881 -1.186 1
1 839 . 1 1 1 A 68 68 GLY CA C 68 44.112 43.715 0.397 1
1 840 . 1 1 1 A 68 68 GLY N N 68 106.057 104.630 1.427 1
1 841 . 1 1 1 A 69 69 ASP H H 69 8.904 9.102 -0.198 1
1 842 . 1 1 1 A 69 69 ASP HA H 69 4.408 4.242 0.166 1
1 845 . 1 1 1 A 69 69 ASP C C 69 178.531 178.251 0.280 1
1 846 . 1 1 1 A 69 69 ASP CA C 69 57.592 57.016 0.576 1
1 847 . 1 1 1 A 69 69 ASP CB C 69 40.198 40.388 -0.190 1
1 848 . 1 1 1 A 69 69 ASP N N 69 121.078 119.911 1.167 1
1 849 . 1 1 1 A 70 70 GLU H H 70 8.905 8.458 0.447 1
1 850 . 1 1 1 A 70 70 GLU HA H 70 4.110 4.010 0.100 1
1 855 . 1 1 1 A 70 70 GLU C C 70 178.745 178.978 -0.233 1
1 856 . 1 1 1 A 70 70 GLU CA C 70 59.956 59.695 0.261 1
1 857 . 1 1 1 A 70 70 GLU CB C 70 28.534 29.116 -0.582 1
1 859 . 1 1 1 A 70 70 GLU N N 70 120.998 119.524 1.474 1
1 860 . 1 1 1 A 71 71 GLN H H 71 8.453 7.828 0.625 1
1 861 . 1 1 1 A 71 71 GLN HA H 71 4.106 4.053 0.053 1
1 868 . 1 1 1 A 71 71 GLN C C 71 178.164 178.604 -0.440 1
1 869 . 1 1 1 A 71 71 GLN CA C 71 59.350 58.560 0.790 1
1 870 . 1 1 1 A 71 71 GLN CB C 71 29.682 28.174 1.508 1
1 872 . 1 1 1 A 71 71 GLN N N 71 121.273 118.642 2.631 1
1 874 . 1 1 1 A 72 72 THR H H 72 8.267 8.037 0.230 1
1 875 . 1 1 1 A 72 72 THR HA H 72 3.524 3.858 -0.334 1
1 880 . 1 1 1 A 72 72 THR C C 72 175.546 176.161 -0.615 1
1 881 . 1 1 1 A 72 72 THR CA C 72 67.395 66.444 0.951 1
1 882 . 1 1 1 A 72 72 THR CB C 72 68.145 68.904 -0.759 1
1 884 . 1 1 1 A 72 72 THR N N 72 115.641 117.261 -1.620 1
1 885 . 1 1 1 A 73 73 SER H H 73 8.265 8.611 -0.346 1
1 886 . 1 1 1 A 73 73 SER HA H 73 4.029 4.085 -0.056 1
1 889 . 1 1 1 A 73 73 SER C C 73 176.825 177.255 -0.430 1
1 890 . 1 1 1 A 73 73 SER CA C 73 61.746 61.339 0.407 1
1 891 . 1 1 1 A 73 73 SER CB C 73 62.746 62.901 -0.155 1
1 892 . 1 1 1 A 73 73 SER N N 73 115.814 115.104 0.710 1
1 893 . 1 1 1 A 74 74 GLN H H 74 8.119 8.082 0.037 1
1 894 . 1 1 1 A 74 74 GLN HA H 74 4.090 4.029 0.061 1
1 901 . 1 1 1 A 74 74 GLN C C 74 178.630 177.721 0.909 1
1 902 . 1 1 1 A 74 74 GLN CA C 74 58.903 58.416 0.487 1
1 903 . 1 1 1 A 74 74 GLN CB C 74 27.943 28.780 -0.837 1
1 905 . 1 1 1 A 74 74 GLN N N 74 121.446 120.476 0.970 1
1 907 . 1 1 1 A 75 75 ALA H H 75 8.210 7.907 0.303 1
1 908 . 1 1 1 A 75 75 ALA HA H 75 3.879 4.020 -0.141 1
1 912 . 1 1 1 A 75 75 ALA C C 75 178.843 179.753 -0.910 1
1 913 . 1 1 1 A 75 75 ALA CA C 75 54.959 55.163 -0.204 1
1 914 . 1 1 1 A 75 75 ALA CB C 75 20.226 18.332 1.894 1
1 915 . 1 1 1 A 75 75 ALA N N 75 121.007 122.060 -1.053 1
1 916 . 1 1 1 A 76 76 VAL H H 76 8.257 8.248 0.009 1
1 917 . 1 1 1 A 76 76 VAL HA H 76 3.472 3.456 0.016 1
1 925 . 1 1 1 A 76 76 VAL C C 76 177.639 177.849 -0.210 1
1 926 . 1 1 1 A 76 76 VAL CA C 76 67.080 66.975 0.105 1
1 927 . 1 1 1 A 76 76 VAL CB C 76 30.945 31.576 -0.631 1
1 930 . 1 1 1 A 76 76 VAL N N 76 116.281 119.722 -3.441 1
1 931 . 1 1 1 A 77 77 ASN H H 77 8.190 8.304 -0.114 1
1 932 . 1 1 1 A 77 77 ASN HA H 77 4.430 4.384 0.046 1
1 937 . 1 1 1 A 77 77 ASN C C 77 178.638 177.943 0.695 1
1 938 . 1 1 1 A 77 77 ASN CA C 77 56.666 56.707 -0.041 1
1 939 . 1 1 1 A 77 77 ASN CB C 77 37.950 39.416 -1.466 1
1 940 . 1 1 1 A 77 77 ASN N N 77 118.786 118.634 0.152 1
1 942 . 1 1 1 A 78 78 LEU H H 78 8.222 8.165 0.057 1
1 943 . 1 1 1 A 78 78 LEU HA H 78 4.045 4.010 0.035 1
1 953 . 1 1 1 A 78 78 LEU C C 78 180.246 179.758 0.488 1
1 954 . 1 1 1 A 78 78 LEU CA C 78 57.926 58.231 -0.305 1
1 955 . 1 1 1 A 78 78 LEU CB C 78 41.892 41.494 0.398 1
1 959 . 1 1 1 A 78 78 LEU N N 78 121.759 119.828 1.931 1
1 960 . 1 1 1 A 79 79 LEU H H 79 7.887 8.005 -0.118 1
1 961 . 1 1 1 A 79 79 LEU HA H 79 4.051 3.949 0.102 1
1 971 . 1 1 1 A 79 79 LEU C C 79 179.804 179.782 0.022 1
1 972 . 1 1 1 A 79 79 LEU CA C 79 57.788 58.113 -0.325 1
1 973 . 1 1 1 A 79 79 LEU CB C 79 41.616 41.376 0.240 1
1 977 . 1 1 1 A 79 79 LEU N N 79 118.127 119.536 -1.409 1
1 978 . 1 1 1 A 80 80 ARG H H 80 8.942 8.321 0.621 1
1 979 . 1 1 1 A 80 80 ARG HA H 80 4.516 4.556 -0.040 1
1 987 . 1 1 1 A 80 80 ARG C C 80 181.546 178.416 3.130 1
1 988 . 1 1 1 A 80 80 ARG CA C 80 60.006 58.353 1.653 1
1 989 . 1 1 1 A 80 80 ARG CB C 80 29.510 29.554 -0.044 1
1 992 . 1 1 1 A 80 80 ARG N N 80 120.974 118.978 1.996 1
1 994 . 1 1 1 A 81 81 SER H H 81 8.394 8.376 0.018 1
1 995 . 1 1 1 A 81 81 SER HA H 81 4.307 4.123 0.184 1
1 998 . 1 1 1 A 81 81 SER C C 81 174.601 176.519 -1.918 1
1 999 . 1 1 1 A 81 81 SER CA C 81 61.570 61.597 -0.027 1
1 1000 . 1 1 1 A 81 81 SER CB C 81 62.832 63.075 -0.243 1
1 1001 . 1 1 1 A 81 81 SER N N 81 116.329 115.781 0.548 1
1 1002 . 1 1 1 A 82 82 ALA H H 82 7.507 7.481 0.026 1
1 1003 . 1 1 1 A 82 82 ALA HA H 82 4.546 4.372 0.174 1
1 1007 . 1 1 1 A 82 82 ALA C C 82 176.449 177.909 -1.460 1
1 1008 . 1 1 1 A 82 82 ALA CA C 82 51.759 52.054 -0.295 1
1 1009 . 1 1 1 A 82 82 ALA CB C 82 18.850 19.228 -0.378 1
1 1010 . 1 1 1 A 82 82 ALA N N 82 122.576 119.399 3.177 1
1 1011 . 1 1 1 A 83 83 GLY H H 83 7.678 7.967 -0.289 1
1 1012 . 1 1 1 A 83 83 GLY HA2 H 83 3.623 3.859 -0.236 1
1 1013 . 1 1 1 A 83 83 GLY HA3 H 83 4.217 3.947 0.270 1
1 1014 . 1 1 1 A 83 83 GLY C C 83 174.557 174.514 0.043 1
1 1015 . 1 1 1 A 83 83 GLY CA C 83 44.741 45.047 -0.306 1
1 1016 . 1 1 1 A 83 83 GLY N N 83 104.117 106.963 -2.846 1
1 1017 . 1 1 1 A 84 84 PHE H H 84 7.923 7.641 0.282 1
1 1018 . 1 1 1 A 84 84 PHE HA H 84 4.254 4.317 -0.063 1
1 1026 . 1 1 1 A 84 84 PHE C C 84 176.479 175.908 0.571 1
1 1027 . 1 1 1 A 84 84 PHE CA C 84 60.127 59.538 0.589 1
1 1028 . 1 1 1 A 84 84 PHE CB C 84 36.999 39.066 -2.067 1
1 1034 . 1 1 1 A 84 84 PHE N N 84 119.861 119.522 0.339 1
1 1035 . 1 1 1 A 85 85 GLU H H 85 7.730 9.325 -1.595 1
1 1036 . 1 1 1 A 85 85 GLU HA H 85 3.965 4.459 -0.494 1
1 1041 . 1 1 1 A 85 85 GLU C C 85 176.966 177.504 -0.538 1
1 1042 . 1 1 1 A 85 85 GLU CA C 85 57.841 58.852 -1.011 1
1 1043 . 1 1 1 A 85 85 GLU CB C 85 32.054 30.617 1.437 1
1 1045 . 1 1 1 A 85 85 GLU N N 85 122.200 124.048 -1.848 1
1 1046 . 1 1 1 A 86 86 HIS H H 86 9.957 7.727 2.230 1
1 1047 . 1 1 1 A 86 86 HIS HA H 86 4.988 4.691 0.297 1
1 1052 . 1 1 1 A 86 86 HIS C C 86 171.400 173.956 -2.556 1
1 1053 . 1 1 1 A 86 86 HIS CA C 86 53.063 55.052 -1.989 1
1 1054 . 1 1 1 A 86 86 HIS CB C 86 29.823 27.987 1.836 1
1 1057 . 1 1 1 A 86 86 HIS N N 86 122.245 117.575 4.670 1
1 1060 . 1 1 1 A 87 87 VAL H H 87 8.233 8.354 -0.121 1
1 1061 . 1 1 1 A 87 87 VAL HA H 87 4.934 4.859 0.075 1
1 1069 . 1 1 1 A 87 87 VAL C C 87 175.510 174.192 1.318 1
1 1070 . 1 1 1 A 87 87 VAL CA C 87 59.972 61.000 -1.028 1
1 1071 . 1 1 1 A 87 87 VAL CB C 87 33.883 34.505 -0.622 1
1 1074 . 1 1 1 A 87 87 VAL N N 87 120.946 124.893 -3.947 1
1 1075 . 1 1 1 A 88 88 SER H H 88 8.968 9.034 -0.066 1
1 1076 . 1 1 1 A 88 88 SER HA H 88 4.869 5.339 -0.470 1
1 1079 . 1 1 1 A 88 88 SER C C 88 174.093 173.007 1.086 1
1 1080 . 1 1 1 A 88 88 SER CA C 88 55.935 56.254 -0.319 1
1 1081 . 1 1 1 A 88 88 SER CB C 88 66.077 65.194 0.883 1
1 1082 . 1 1 1 A 88 88 SER N N 88 121.913 122.330 -0.417 1
1 1083 . 1 1 1 A 89 89 GLU H H 89 8.628 8.841 -0.213 1
1 1084 . 1 1 1 A 89 89 GLU HA H 89 4.233 4.703 -0.470 1
1 1089 . 1 1 1 A 89 89 GLU C C 89 175.212 175.384 -0.172 1
1 1090 . 1 1 1 A 89 89 GLU CA C 89 55.728 55.884 -0.156 1
1 1091 . 1 1 1 A 89 89 GLU CB C 89 31.640 30.381 1.259 1
1 1093 . 1 1 1 A 89 89 GLU N N 89 125.288 123.259 2.029 1
1 1094 . 1 1 1 A 90 90 LEU H H 90 8.727 8.875 -0.148 1
1 1095 . 1 1 1 A 90 90 LEU HA H 90 4.829 4.841 -0.012 1
1 1105 . 1 1 1 A 90 90 LEU C C 90 175.893 175.151 0.742 1
1 1106 . 1 1 1 A 90 90 LEU CA C 90 53.771 54.561 -0.790 1
1 1107 . 1 1 1 A 90 90 LEU CB C 90 41.511 41.631 -0.120 1
1 1111 . 1 1 1 A 90 90 LEU N N 90 125.766 126.905 -1.139 1
1 1112 . 1 1 1 A 91 91 LYS H H 91 8.715 8.803 -0.088 1
1 1113 . 1 1 1 A 91 91 LYS HA H 91 4.164 4.111 0.053 1
1 1122 . 1 1 1 A 91 91 LYS C C 91 177.680 177.365 0.315 1
1 1123 . 1 1 1 A 91 91 LYS CA C 91 57.796 58.767 -0.971 1
1 1124 . 1 1 1 A 91 91 LYS CB C 91 31.705 32.205 -0.500 1
1 1128 . 1 1 1 A 91 91 LYS N N 91 131.405 127.578 3.827 1
1 1129 . 1 1 1 A 92 92 GLY H H 92 9.408 8.417 0.991 1
1 1130 . 1 1 1 A 92 92 GLY HA2 H 92 3.828 3.983 -0.155 1
1 1131 . 1 1 1 A 92 92 GLY HA3 H 92 4.268 3.985 0.283 1
1 1132 . 1 1 1 A 92 92 GLY C C 92 175.634 174.416 1.218 1
1 1133 . 1 1 1 A 92 92 GLY CA C 92 46.001 44.994 1.007 1
1 1134 . 1 1 1 A 92 92 GLY N N 92 115.262 112.248 3.014 1
1 1135 . 1 1 1 A 93 93 GLY H H 93 7.616 8.557 -0.941 1
1 1136 . 1 1 1 A 93 93 GLY HA2 H 93 3.429 4.107 -0.678 1
1 1137 . 1 1 1 A 93 93 GLY HA3 H 93 4.276 4.149 0.127 1
1 1138 . 1 1 1 A 93 93 GLY C C 93 172.357 174.873 -2.516 1
1 1139 . 1 1 1 A 93 93 GLY CA C 93 46.436 45.445 0.991 1
1 1140 . 1 1 1 A 93 93 GLY N N 93 106.201 108.797 -2.596 1
1 1141 . 1 1 1 A 94 94 LEU H H 94 8.854 8.551 0.303 1
1 1142 . 1 1 1 A 94 94 LEU HA H 94 3.643 4.186 -0.543 1
1 1152 . 1 1 1 A 94 94 LEU C C 94 178.092 178.782 -0.690 1
1 1153 . 1 1 1 A 94 94 LEU CA C 94 56.966 57.635 -0.669 1
1 1154 . 1 1 1 A 94 94 LEU CB C 94 41.937 41.734 0.203 1
1 1158 . 1 1 1 A 94 94 LEU N N 94 124.279 124.708 -0.429 1
1 1159 . 1 1 1 A 95 95 ALA H H 95 8.683 8.249 0.434 1
1 1160 . 1 1 1 A 95 95 ALA HA H 95 4.061 4.020 0.041 1
1 1164 . 1 1 1 A 95 95 ALA C C 95 180.877 179.751 1.126 1
1 1165 . 1 1 1 A 95 95 ALA CA C 95 55.406 55.362 0.044 1
1 1166 . 1 1 1 A 95 95 ALA CB C 95 18.053 17.987 0.066 1
1 1167 . 1 1 1 A 95 95 ALA N N 95 120.253 120.477 -0.224 1
1 1168 . 1 1 1 A 96 96 ALA H H 96 7.249 7.914 -0.665 1
1 1169 . 1 1 1 A 96 96 ALA HA H 96 4.132 4.081 0.051 1
1 1173 . 1 1 1 A 96 96 ALA C C 96 179.350 179.465 -0.115 1
1 1174 . 1 1 1 A 96 96 ALA CA C 96 54.429 54.910 -0.481 1
1 1175 . 1 1 1 A 96 96 ALA CB C 96 18.580 18.369 0.211 1
1 1176 . 1 1 1 A 96 96 ALA N N 96 121.080 120.027 1.053 1
1 1177 . 1 1 1 A 97 97 TRP H H 97 7.636 8.081 -0.445 1
1 1178 . 1 1 1 A 97 97 TRP HA H 97 4.051 4.090 -0.039 1
1 1187 . 1 1 1 A 97 97 TRP C C 97 178.223 178.427 -0.204 1
1 1188 . 1 1 1 A 97 97 TRP CA C 97 59.343 61.609 -2.266 1
1 1189 . 1 1 1 A 97 97 TRP CB C 97 29.734 29.789 -0.055 1
1 1195 . 1 1 1 A 97 97 TRP N N 97 119.015 121.014 -1.999 1
1 1197 . 1 1 1 A 98 98 LYS H H 98 8.764 8.520 0.244 1
1 1198 . 1 1 1 A 98 98 LYS HA H 98 3.886 4.101 -0.215 1
1 1207 . 1 1 1 A 98 98 LYS C C 98 180.503 179.316 1.187 1
1 1208 . 1 1 1 A 98 98 LYS CA C 98 59.365 59.368 -0.003 1
1 1209 . 1 1 1 A 98 98 LYS CB C 98 31.899 32.248 -0.349 1
1 1213 . 1 1 1 A 98 98 LYS N N 98 117.855 119.182 -1.327 1
1 1214 . 1 1 1 A 99 99 ALA H H 99 7.802 8.102 -0.300 1
1 1215 . 1 1 1 A 99 99 ALA HA H 99 4.139 4.119 0.020 1
1 1219 . 1 1 1 A 99 99 ALA C C 99 179.188 178.661 0.527 1
1 1220 . 1 1 1 A 99 99 ALA CA C 99 54.521 54.639 -0.118 1
1 1221 . 1 1 1 A 99 99 ALA CB C 99 18.016 18.108 -0.092 1
1 1222 . 1 1 1 A 99 99 ALA N N 99 121.263 121.114 0.149 1
1 1223 . 1 1 1 A 100 100 ILE H H 100 6.803 7.635 -0.832 1
1 1224 . 1 1 1 A 100 100 ILE HA H 100 4.509 4.125 0.384 1
1 1234 . 1 1 1 A 100 100 ILE C C 100 175.810 176.263 -0.453 1
1 1235 . 1 1 1 A 100 100 ILE CA C 100 59.964 60.517 -0.553 1
1 1236 . 1 1 1 A 100 100 ILE CB C 100 37.866 37.406 0.460 1
1 1240 . 1 1 1 A 100 100 ILE N N 100 107.978 110.809 -2.831 1
1 1241 . 1 1 1 A 101 101 GLY H H 101 7.741 7.740 0.001 1
1 1242 . 1 1 1 A 101 101 GLY HA2 H 101 3.618 3.915 -0.297 1
1 1243 . 1 1 1 A 101 101 GLY HA3 H 101 3.866 3.921 -0.055 1
1 1244 . 1 1 1 A 101 101 GLY C C 101 175.319 175.180 0.139 1
1 1245 . 1 1 1 A 101 101 GLY CA C 101 45.444 46.569 -1.125 1
1 1246 . 1 1 1 A 101 101 GLY N N 101 109.732 111.071 -1.339 1
1 1247 . 1 1 1 A 102 102 GLY H H 102 7.823 8.030 -0.207 1
1 1248 . 1 1 1 A 102 102 GLY HA2 H 102 2.942 2.963 -0.021 1
1 1249 . 1 1 1 A 102 102 GLY HA3 H 102 2.942 3.639 -0.697 1
1 1250 . 1 1 1 A 102 102 GLY C C 102 171.578 173.052 -1.474 1
1 1251 . 1 1 1 A 102 102 GLY CA C 102 41.964 44.046 -2.082 1
1 1252 . 1 1 1 A 102 102 GLY N N 102 108.608 107.571 1.037 1
1 1253 . 1 1 1 A 103 103 PRO HA H 103 4.643 4.701 -0.058 1
1 1260 . 1 1 1 A 103 103 PRO C C 103 178.778 176.697 2.081 1
1 1261 . 1 1 1 A 103 103 PRO CA C 103 62.843 63.372 -0.529 1
1 1262 . 1 1 1 A 103 103 PRO CB C 103 32.263 31.911 0.352 1
1 1265 . 1 1 1 A 104 104 THR H H 104 8.760 8.530 0.230 1
1 1266 . 1 1 1 A 104 104 THR HA H 104 5.017 5.211 -0.194 1
1 1271 . 1 1 1 A 104 104 THR C C 104 172.498 173.045 -0.547 1
1 1272 . 1 1 1 A 104 104 THR CA C 104 59.729 59.566 0.163 1
1 1273 . 1 1 1 A 104 104 THR CB C 104 72.479 72.321 0.158 1
1 1275 . 1 1 1 A 104 104 THR N N 104 116.086 112.656 3.430 1
1 1276 . 1 1 1 A 105 105 GLU H H 105 8.267 8.773 -0.506 1
1 1277 . 1 1 1 A 105 105 GLU HA H 105 4.499 4.874 -0.375 1
1 1282 . 1 1 1 A 105 105 GLU C C 105 173.848 174.775 -0.927 1
1 1283 . 1 1 1 A 105 105 GLU CA C 105 54.647 54.826 -0.179 1
1 1284 . 1 1 1 A 105 105 GLU CB C 105 34.227 32.479 1.748 1
1 1286 . 1 1 1 A 105 105 GLU N N 105 117.663 119.434 -1.771 1
1 1287 . 1 1 1 A 106 106 GLY H H 106 8.207 8.296 -0.089 1
1 1288 . 1 1 1 A 106 106 GLY HA2 H 106 3.873 4.124 -0.251 1
1 1289 . 1 1 1 A 106 106 GLY HA3 H 106 3.873 4.188 -0.315 1
1 1290 . 1 1 1 A 106 106 GLY C C 106 173.052 174.330 -1.278 1
1 1291 . 1 1 1 A 106 106 GLY CA C 106 44.313 44.361 -0.048 1
1 1292 . 1 1 1 A 106 106 GLY N N 106 108.896 108.090 0.806 1
1 1293 . 1 1 1 A 107 107 ILE H H 107 8.333 9.124 -0.791 1
1 1294 . 1 1 1 A 107 107 ILE HA H 107 4.110 4.031 0.079 1
1 1304 . 1 1 1 A 107 107 ILE C C 107 176.773 177.930 -1.157 1
1 1305 . 1 1 1 A 107 107 ILE CA C 107 62.404 63.888 -1.484 1
1 1306 . 1 1 1 A 107 107 ILE CB C 107 38.826 37.798 1.028 1
1 1310 . 1 1 1 A 107 107 ILE N N 107 119.410 119.452 -0.042 1
1 1311 . 1 1 1 A 108 108 ILE H H 108 8.369 7.898 0.471 1
1 1312 . 1 1 1 A 108 108 ILE HA H 108 4.167 3.850 0.317 1
1 1322 . 1 1 1 A 108 108 ILE C C 108 176.821 178.501 -1.680 1
1 1323 . 1 1 1 A 108 108 ILE CA C 108 61.060 64.338 -3.278 1
1 1324 . 1 1 1 A 108 108 ILE CB C 108 37.984 36.588 1.396 1
1 1328 . 1 1 1 A 108 108 ILE N N 108 122.390 120.368 2.022 1
1 1329 . 1 1 1 A 109 109 GLU H H 109 8.127 8.055 0.072 1
1 1330 . 1 1 1 A 109 109 GLU HA H 109 4.218 4.060 0.158 1
1 1335 . 1 1 1 A 109 109 GLU C C 109 176.438 177.830 -1.392 1
1 1336 . 1 1 1 A 109 109 GLU CA C 109 56.548 58.978 -2.430 1
1 1337 . 1 1 1 A 109 109 GLU CB C 109 30.178 29.339 0.839 1
1 1339 . 1 1 1 A 109 109 GLU N N 109 123.739 122.162 1.577 1
1 1340 . 1 1 1 A 110 110 SER H H 110 8.291 7.505 0.786 1
1 1341 . 1 1 1 A 110 110 SER HA H 110 4.446 4.468 -0.022 1
1 1344 . 1 1 1 A 110 110 SER C C 110 174.330 174.376 -0.046 1
1 1345 . 1 1 1 A 110 110 SER CA C 110 58.252 60.611 -2.359 1
1 1346 . 1 1 1 A 110 110 SER CB C 110 63.598 64.451 -0.853 1
1 1347 . 1 1 1 A 110 110 SER N N 110 116.242 113.516 2.726 1
1 1348 . 1 1 1 A 111 111 ARG H H 111 8.238 7.690 0.548 1
1 1349 . 1 1 1 A 111 111 ARG HA H 111 4.426 4.683 -0.257 1
1 1357 . 1 1 1 A 111 111 ARG C C 111 176.113 175.666 0.447 1
1 1358 . 1 1 1 A 111 111 ARG CA C 111 55.848 55.559 0.289 1
1 1359 . 1 1 1 A 111 111 ARG CB C 111 30.755 31.231 -0.476 1
1 1362 . 1 1 1 A 111 111 ARG N N 111 122.827 118.574 4.253 1
1 1364 . 1 1 1 A 112 112 THR H H 112 8.229 8.663 -0.434 1
1 1365 . 1 1 1 A 112 112 THR HA H 112 4.573 5.037 -0.464 1
1 1370 . 1 1 1 A 112 112 THR C C 112 172.790 171.936 0.854 1
1 1371 . 1 1 1 A 112 112 THR CA C 112 59.716 58.359 1.357 1
1 1372 . 1 1 1 A 112 112 THR CB C 112 69.503 70.029 -0.526 1
1 1374 . 1 1 1 A 112 112 THR N N 112 117.863 114.375 3.488 1
1 1375 . 1 1 1 A 113 113 PRO HA H 113 4.388 4.576 -0.188 1
1 1382 . 1 1 1 A 113 113 PRO C C 113 176.605 175.700 0.905 1
1 1383 . 1 1 1 A 113 113 PRO CA C 113 63.131 62.767 0.364 1
1 1384 . 1 1 1 A 113 113 PRO CB C 113 31.931 31.201 0.730 1
1 1387 . 1 1 1 A 114 114 ALA H H 114 8.422 8.516 -0.094 1
1 1388 . 1 1 1 A 114 114 ALA HA H 114 4.284 4.845 -0.561 1
1 1392 . 1 1 1 A 114 114 ALA C C 114 178.251 176.618 1.633 1
1 1393 . 1 1 1 A 114 114 ALA CA C 114 52.518 51.314 1.204 1
1 1394 . 1 1 1 A 114 114 ALA CB C 114 19.131 22.933 -3.802 1
1 1395 . 1 1 1 A 114 114 ALA N N 114 124.466 125.591 -1.125 1
1 1396 . 1 1 1 A 115 115 GLY H H 115 8.380 8.450 -0.070 1
1 1397 . 1 1 1 A 115 115 GLY HA2 H 115 3.956 4.035 -0.079 1
1 1398 . 1 1 1 A 115 115 GLY HA3 H 115 3.934 4.035 -0.101 1
1 1399 . 1 1 1 A 115 115 GLY C C 115 174.020 173.818 0.202 1
1 1400 . 1 1 1 A 115 115 GLY CA C 115 45.095 46.288 -1.193 1
1 1401 . 1 1 1 A 115 115 GLY N N 115 108.587 107.975 0.612 1
1 1402 . 1 1 1 A 116 116 ALA H H 116 8.127 7.843 0.284 1
1 1403 . 1 1 1 A 116 116 ALA HA H 116 4.292 5.080 -0.788 1
1 1407 . 1 1 1 A 116 116 ALA C C 116 177.565 175.447 2.118 1
1 1408 . 1 1 1 A 116 116 ALA CA C 116 52.504 51.712 0.792 1
1 1409 . 1 1 1 A 116 116 ALA CB C 116 19.187 21.395 -2.208 1
1 1410 . 1 1 1 A 116 116 ALA N N 116 123.523 122.771 0.752 1
1 1411 . 1 1 1 A 117 117 ASP H H 117 8.316 8.773 -0.457 1
1 1412 . 1 1 1 A 117 117 ASP HA H 117 4.555 5.194 -0.639 1
1 1415 . 1 1 1 A 117 117 ASP C C 117 175.899 173.863 2.036 1
1 1416 . 1 1 1 A 117 117 ASP CA C 117 54.254 54.377 -0.123 1
1 1417 . 1 1 1 A 117 117 ASP CB C 117 40.962 43.530 -2.568 1
1 1418 . 1 1 1 A 117 117 ASP N N 117 118.783 121.773 -2.990 1
1 1419 . 1 1 1 A 118 118 ASP H H 118 8.083 9.035 -0.952 1
1 1420 . 1 1 1 A 118 118 ASP HA H 118 4.529 5.483 -0.954 1
1 1423 . 1 1 1 A 118 118 ASP C C 118 176.278 174.636 1.642 1
1 1424 . 1 1 1 A 118 118 ASP CA C 118 54.202 53.042 1.160 1
1 1425 . 1 1 1 A 118 118 ASP CB C 118 40.933 43.539 -2.606 1
1 1426 . 1 1 1 A 118 118 ASP N N 118 119.935 125.246 -5.311 1
1 1427 . 1 1 1 A 119 119 TYR H H 119 8.107 8.695 -0.588 1
1 1428 . 1 1 1 A 119 119 TYR HA H 119 4.450 4.888 -0.438 1
1 1435 . 1 1 1 A 119 119 TYR C C 119 175.825 173.508 2.317 1
1 1436 . 1 1 1 A 119 119 TYR CA C 119 58.350 58.039 0.311 1
1 1437 . 1 1 1 A 119 119 TYR CB C 119 38.260 39.681 -1.421 1
1 1442 . 1 1 1 A 119 119 TYR N N 119 120.415 124.352 -3.937 1
1 1443 . 1 1 1 A 120 120 ASN H H 120 8.276 9.022 -0.746 1
1 1444 . 1 1 1 A 120 120 ASN HA H 120 4.615 5.105 -0.490 1
1 1449 . 1 1 1 A 120 120 ASN C C 120 175.102 173.310 1.792 1
1 1450 . 1 1 1 A 120 120 ASN CA C 120 53.396 51.601 1.795 1
1 1451 . 1 1 1 A 120 120 ASN CB C 120 38.712 38.896 -0.184 1
1 1452 . 1 1 1 A 120 120 ASN N N 120 119.834 127.006 -7.172 1
1 1454 . 1 1 1 A 121 121 VAL H H 121 7.897 7.997 -0.100 1
1 1455 . 1 1 1 A 121 121 VAL HA H 121 4.009 4.578 -0.569 1
1 1463 . 1 1 1 A 121 121 VAL C C 121 176.484 174.561 1.923 1
1 1464 . 1 1 1 A 121 121 VAL CA C 121 62.950 61.076 1.874 1
1 1465 . 1 1 1 A 121 121 VAL CB C 121 32.326 34.509 -2.183 1
1 1468 . 1 1 1 A 121 121 VAL N N 121 120.109 123.288 -3.179 1
1 1469 . 1 1 1 A 122 122 VAL H H 122 8.091 8.736 -0.645 1
1 1470 . 1 1 1 A 122 122 VAL HA H 122 4.014 4.891 -0.877 1
1 1478 . 1 1 1 A 122 122 VAL C C 122 176.568 174.376 2.192 1
1 1479 . 1 1 1 A 122 122 VAL CA C 122 62.924 60.526 2.398 1
1 1480 . 1 1 1 A 122 122 VAL CB C 122 32.279 33.555 -1.276 1
1 1483 . 1 1 1 A 122 122 VAL N N 122 122.407 123.447 -1.040 1
1 1484 . 1 1 1 A 123 123 SER H H 123 8.228 8.850 -0.622 1
1 1485 . 1 1 1 A 123 123 SER HA H 123 4.385 5.027 -0.642 1
1 1488 . 1 1 1 A 123 123 SER C C 123 174.863 172.938 1.925 1
1 1489 . 1 1 1 A 123 123 SER CA C 123 58.525 56.776 1.749 1
1 1490 . 1 1 1 A 123 123 SER CB C 123 63.450 63.903 -0.453 1
1 1491 . 1 1 1 A 123 123 SER N N 123 118.095 122.538 -4.443 1
1 1492 . 1 1 1 A 124 124 ARG H H 124 8.208 8.521 -0.313 1
1 1493 . 1 1 1 A 124 124 ARG HA H 124 4.297 4.694 -0.397 1
1 1500 . 1 1 1 A 124 124 ARG C C 124 176.328 173.688 2.640 1
1 1501 . 1 1 1 A 124 124 ARG CA C 124 56.408 55.714 0.694 1
1 1502 . 1 1 1 A 124 124 ARG CB C 124 30.480 32.857 -2.377 1
1 1505 . 1 1 1 A 124 124 ARG N N 124 122.632 127.077 -4.445 1
1 1506 . 1 1 1 A 125 125 LEU H H 125 8.081 8.990 -0.909 1
1 1507 . 1 1 1 A 125 125 LEU HA H 125 4.262 5.355 -1.093 1
1 1517 . 1 1 1 A 125 125 LEU C C 125 177.375 174.574 2.801 1
1 1518 . 1 1 1 A 125 125 LEU CA C 125 55.282 53.450 1.832 1
1 1519 . 1 1 1 A 125 125 LEU CB C 125 42.042 46.448 -4.406 1
1 1523 . 1 1 1 A 125 125 LEU N N 125 121.964 128.778 -6.814 1
1 1524 . 1 1 1 A 126 126 GLU H H 126 8.232 8.696 -0.464 1
1 1525 . 1 1 1 A 126 126 GLU HA H 126 4.179 5.187 -1.008 1
1 1530 . 1 1 1 A 126 126 GLU C C 126 176.238 174.523 1.715 1
1 1531 . 1 1 1 A 126 126 GLU CA C 126 56.451 54.899 1.552 1
1 1532 . 1 1 1 A 126 126 GLU CB C 126 30.131 33.542 -3.411 1
1 14 . 2 1 1 A 2 2 GLU H H 2 8.824 8.644 0.180 1
1 15 . 2 1 1 A 2 2 GLU HA H 2 4.687 4.516 0.171 1
1 20 . 2 1 1 A 2 2 GLU C C 2 175.506 176.649 -1.143 1
1 21 . 2 1 1 A 2 2 GLU CA C 2 54.603 55.242 -0.639 1
1 22 . 2 1 1 A 2 2 GLU CB C 2 29.310 29.587 -0.277 1
1 24 . 2 1 1 A 2 2 GLU N N 2 125.698 118.381 7.317 1
1 25 . 2 1 1 A 3 3 PRO HA H 3 4.398 4.414 -0.016 1
1 32 . 2 1 1 A 3 3 PRO C C 3 176.267 176.649 -0.382 1
1 33 . 2 1 1 A 3 3 PRO CA C 3 64.781 65.415 -0.634 1
1 34 . 2 1 1 A 3 3 PRO CB C 3 31.918 31.691 0.227 1
1 37 . 2 1 1 A 4 4 GLN H H 4 7.738 8.123 -0.385 1
1 38 . 2 1 1 A 4 4 GLN HA H 4 4.908 4.744 0.164 1
1 45 . 2 1 1 A 4 4 GLN C C 4 175.006 175.457 -0.451 1
1 46 . 2 1 1 A 4 4 GLN CA C 4 54.697 55.025 -0.328 1
1 47 . 2 1 1 A 4 4 GLN CB C 4 31.196 29.932 1.264 1
1 49 . 2 1 1 A 4 4 GLN N N 4 114.971 117.324 -2.353 1
1 51 . 2 1 1 A 5 5 SER H H 5 9.180 8.905 0.275 1
1 52 . 2 1 1 A 5 5 SER HA H 5 4.825 5.185 -0.360 1
1 55 . 2 1 1 A 5 5 SER C C 5 172.669 173.523 -0.854 1
1 56 . 2 1 1 A 5 5 SER CA C 5 58.100 56.753 1.347 1
1 57 . 2 1 1 A 5 5 SER CB C 5 65.536 64.729 0.807 1
1 58 . 2 1 1 A 5 5 SER N N 5 117.801 119.845 -2.044 1
1 59 . 2 1 1 A 6 6 ASP H H 6 8.386 8.555 -0.169 1
1 60 . 2 1 1 A 6 6 ASP HA H 6 4.841 4.752 0.089 1
1 63 . 2 1 1 A 6 6 ASP C C 6 177.071 177.166 -0.095 1
1 64 . 2 1 1 A 6 6 ASP CA C 6 53.810 53.978 -0.168 1
1 65 . 2 1 1 A 6 6 ASP CB C 6 42.427 42.509 -0.082 1
1 66 . 2 1 1 A 6 6 ASP N N 6 123.042 125.224 -2.182 1
1 67 . 2 1 1 A 7 7 ALA H H 7 9.312 8.825 0.487 1
1 68 . 2 1 1 A 7 7 ALA HA H 7 4.036 4.171 -0.135 1
1 72 . 2 1 1 A 7 7 ALA C C 7 178.859 180.020 -1.161 1
1 73 . 2 1 1 A 7 7 ALA CA C 7 55.703 55.544 0.159 1
1 74 . 2 1 1 A 7 7 ALA CB C 7 17.952 18.188 -0.236 1
1 75 . 2 1 1 A 7 7 ALA N N 7 123.976 127.902 -3.926 1
1 76 . 2 1 1 A 8 8 HIS H H 8 8.537 7.700 0.837 1
1 77 . 2 1 1 A 8 8 HIS HA H 8 3.950 4.303 -0.353 1
1 82 . 2 1 1 A 8 8 HIS C C 8 178.023 177.923 0.100 1
1 83 . 2 1 1 A 8 8 HIS CA C 8 59.778 57.940 1.838 1
1 84 . 2 1 1 A 8 8 HIS CB C 8 29.039 28.486 0.553 1
1 87 . 2 1 1 A 8 8 HIS N N 8 114.303 115.569 -1.266 1
1 90 . 2 1 1 A 9 9 VAL H H 9 7.567 8.011 -0.444 1
1 91 . 2 1 1 A 9 9 VAL HA H 9 3.709 3.521 0.188 1
1 99 . 2 1 1 A 9 9 VAL C C 9 178.518 178.193 0.325 1
1 100 . 2 1 1 A 9 9 VAL CA C 9 65.508 66.926 -1.418 1
1 101 . 2 1 1 A 9 9 VAL CB C 9 31.604 31.491 0.113 1
1 104 . 2 1 1 A 9 9 VAL N N 9 121.235 121.095 0.140 1
1 105 . 2 1 1 A 10 10 LEU H H 10 7.219 8.418 -1.199 1
1 106 . 2 1 1 A 10 10 LEU HA H 10 3.716 3.784 -0.068 1
1 116 . 2 1 1 A 10 10 LEU C C 10 177.133 178.373 -1.240 1
1 117 . 2 1 1 A 10 10 LEU CA C 10 57.133 58.592 -1.459 1
1 118 . 2 1 1 A 10 10 LEU CB C 10 40.756 41.681 -0.925 1
1 122 . 2 1 1 A 10 10 LEU N N 10 120.890 120.213 0.677 1
1 123 . 2 1 1 A 11 11 LYS H H 11 8.568 8.481 0.087 1
1 124 . 2 1 1 A 11 11 LYS HA H 11 3.943 3.983 -0.040 1
1 133 . 2 1 1 A 11 11 LYS C C 11 178.143 179.010 -0.867 1
1 134 . 2 1 1 A 11 11 LYS CA C 11 60.388 59.638 0.750 1
1 135 . 2 1 1 A 11 11 LYS CB C 11 32.354 32.003 0.351 1
1 139 . 2 1 1 A 11 11 LYS N N 11 120.361 119.639 0.722 1
1 140 . 2 1 1 A 12 12 SER H H 12 7.865 8.645 -0.780 1
1 141 . 2 1 1 A 12 12 SER HA H 12 4.225 4.322 -0.097 1
1 144 . 2 1 1 A 12 12 SER C C 12 175.839 177.267 -1.428 1
1 145 . 2 1 1 A 12 12 SER CA C 12 61.626 61.358 0.268 1
1 146 . 2 1 1 A 12 12 SER CB C 12 62.749 62.255 0.494 1
1 147 . 2 1 1 A 12 12 SER N N 12 113.173 115.687 -2.514 1
1 148 . 2 1 1 A 13 13 ARG H H 13 7.701 7.444 0.257 1
1 149 . 2 1 1 A 13 13 ARG HA H 13 3.827 4.279 -0.452 1
1 157 . 2 1 1 A 13 13 ARG C C 13 178.606 179.242 -0.636 1
1 158 . 2 1 1 A 13 13 ARG CA C 13 58.926 58.975 -0.049 1
1 159 . 2 1 1 A 13 13 ARG CB C 13 29.616 29.772 -0.156 1
1 162 . 2 1 1 A 13 13 ARG N N 13 122.104 122.458 -0.354 1
1 164 . 2 1 1 A 14 14 LEU H H 14 8.308 8.534 -0.226 1
1 165 . 2 1 1 A 14 14 LEU HA H 14 4.219 4.136 0.083 1
1 175 . 2 1 1 A 14 14 LEU C C 14 178.590 178.652 -0.062 1
1 176 . 2 1 1 A 14 14 LEU CA C 14 57.904 58.133 -0.229 1
1 177 . 2 1 1 A 14 14 LEU CB C 14 42.627 42.269 0.358 1
1 181 . 2 1 1 A 14 14 LEU N N 14 119.549 122.084 -2.535 1
1 182 . 2 1 1 A 15 15 GLU H H 15 7.824 8.165 -0.341 1
1 183 . 2 1 1 A 15 15 GLU HA H 15 3.998 4.205 -0.207 1
1 188 . 2 1 1 A 15 15 GLU C C 15 177.805 178.363 -0.558 1
1 189 . 2 1 1 A 15 15 GLU CA C 15 58.219 58.764 -0.545 1
1 190 . 2 1 1 A 15 15 GLU CB C 15 29.865 30.634 -0.769 1
1 192 . 2 1 1 A 15 15 GLU N N 15 116.921 118.750 -1.829 1
1 193 . 2 1 1 A 16 16 TRP H H 16 7.905 8.440 -0.535 1
1 194 . 2 1 1 A 16 16 TRP HA H 16 4.895 4.668 0.227 1
1 203 . 2 1 1 A 16 16 TRP C C 16 176.778 177.186 -0.408 1
1 204 . 2 1 1 A 16 16 TRP CA C 16 57.033 59.496 -2.463 1
1 205 . 2 1 1 A 16 16 TRP CB C 16 30.513 30.992 -0.479 1
1 211 . 2 1 1 A 16 16 TRP N N 16 116.589 119.509 -2.920 1
1 213 . 2 1 1 A 17 17 GLY H H 17 8.007 8.307 -0.300 1
1 214 . 2 1 1 A 17 17 GLY HA2 H 17 3.979 4.176 -0.197 1
1 215 . 2 1 1 A 17 17 GLY HA3 H 17 4.200 4.200 0.000 1
1 216 . 2 1 1 A 17 17 GLY C C 17 173.650 173.759 -0.109 1
1 217 . 2 1 1 A 17 17 GLY CA C 17 44.786 44.562 0.224 1
1 218 . 2 1 1 A 17 17 GLY N N 17 108.398 108.216 0.182 1
1 219 . 2 1 1 A 18 18 GLU H H 18 8.483 8.392 0.091 1
1 220 . 2 1 1 A 18 18 GLU HA H 18 4.534 4.951 -0.417 1
1 225 . 2 1 1 A 18 18 GLU C C 18 176.535 175.199 1.336 1
1 226 . 2 1 1 A 18 18 GLU CA C 18 54.615 52.822 1.793 1
1 227 . 2 1 1 A 18 18 GLU CB C 18 29.654 30.985 -1.331 1
1 229 . 2 1 1 A 18 18 GLU N N 18 121.984 121.749 0.235 1
1 230 . 2 1 1 A 19 19 PRO HA H 19 4.549 3.840 0.709 1
1 237 . 2 1 1 A 19 19 PRO C C 19 176.737 176.536 0.201 1
1 238 . 2 1 1 A 19 19 PRO CA C 19 63.685 63.756 -0.071 1
1 239 . 2 1 1 A 19 19 PRO CB C 19 30.940 31.767 -0.827 1
1 242 . 2 1 1 A 20 20 ALA H H 20 8.386 7.878 0.508 1
1 243 . 2 1 1 A 20 20 ALA HA H 20 4.536 4.280 0.256 1
1 247 . 2 1 1 A 20 20 ALA C C 20 174.844 177.083 -2.239 1
1 248 . 2 1 1 A 20 20 ALA CA C 20 51.312 52.737 -1.425 1
1 249 . 2 1 1 A 20 20 ALA CB C 20 17.883 19.000 -1.117 1
1 250 . 2 1 1 A 20 20 ALA N N 20 126.537 120.042 6.495 1
1 251 . 2 1 1 A 21 21 PHE H H 21 7.244 7.024 0.220 1
1 252 . 2 1 1 A 21 21 PHE HA H 21 5.485 4.867 0.618 1
1 260 . 2 1 1 A 21 21 PHE C C 21 173.639 174.303 -0.664 1
1 261 . 2 1 1 A 21 21 PHE CA C 21 55.312 55.579 -0.267 1
1 262 . 2 1 1 A 21 21 PHE CB C 21 41.581 41.705 -0.124 1
1 268 . 2 1 1 A 21 21 PHE N N 21 115.447 115.213 0.234 1
1 269 . 2 1 1 A 22 22 THR H H 22 9.203 8.838 0.365 1
1 270 . 2 1 1 A 22 22 THR HA H 22 4.583 5.055 -0.472 1
1 275 . 2 1 1 A 22 22 THR C C 22 171.987 172.841 -0.854 1
1 276 . 2 1 1 A 22 22 THR CA C 22 62.368 60.349 2.019 1
1 277 . 2 1 1 A 22 22 THR CB C 22 72.961 71.395 1.566 1
1 279 . 2 1 1 A 22 22 THR N N 22 119.035 116.565 2.470 1
1 280 . 2 1 1 A 23 23 ILE H H 23 9.318 9.339 -0.021 1
1 281 . 2 1 1 A 23 23 ILE HA H 23 5.172 5.291 -0.119 1
1 291 . 2 1 1 A 23 23 ILE C C 23 173.969 174.352 -0.383 1
1 292 . 2 1 1 A 23 23 ILE CA C 23 59.958 60.056 -0.098 1
1 293 . 2 1 1 A 23 23 ILE CB C 23 40.273 39.489 0.784 1
1 297 . 2 1 1 A 23 23 ILE N N 23 127.452 127.768 -0.316 1
1 298 . 2 1 1 A 24 24 LEU H H 24 9.522 9.564 -0.042 1
1 299 . 2 1 1 A 24 24 LEU HA H 24 4.871 5.069 -0.198 1
1 309 . 2 1 1 A 24 24 LEU C C 24 172.823 174.886 -2.063 1
1 310 . 2 1 1 A 24 24 LEU CA C 24 53.100 53.201 -0.101 1
1 311 . 2 1 1 A 24 24 LEU CB C 24 44.522 43.011 1.511 1
1 315 . 2 1 1 A 24 24 LEU N N 24 127.148 128.475 -1.327 1
1 316 . 2 1 1 A 25 25 ASP H H 25 8.325 8.704 -0.379 1
1 317 . 2 1 1 A 25 25 ASP HA H 25 4.112 4.029 0.083 1
1 320 . 2 1 1 A 25 25 ASP C C 25 177.457 176.802 0.655 1
1 321 . 2 1 1 A 25 25 ASP CA C 25 51.097 53.424 -2.327 1
1 322 . 2 1 1 A 25 25 ASP CB C 25 43.056 40.838 2.218 1
1 323 . 2 1 1 A 25 25 ASP N N 25 122.856 124.689 -1.833 1
1 324 . 2 1 1 A 26 26 VAL H H 26 7.924 7.871 0.053 1
1 325 . 2 1 1 A 26 26 VAL HA H 26 4.964 4.702 0.262 1
1 333 . 2 1 1 A 26 26 VAL C C 26 176.585 176.510 0.075 1
1 334 . 2 1 1 A 26 26 VAL CA C 26 59.554 60.955 -1.401 1
1 335 . 2 1 1 A 26 26 VAL CB C 26 30.002 31.770 -1.768 1
1 338 . 2 1 1 A 26 26 VAL N N 26 117.391 119.467 -2.076 1
1 339 . 2 1 1 A 27 27 ARG H H 27 7.773 7.646 0.127 1
1 340 . 2 1 1 A 27 27 ARG HA H 27 4.418 4.109 0.309 1
1 352 . 2 1 1 A 27 27 ARG C C 27 173.931 175.860 -1.929 1
1 353 . 2 1 1 A 27 27 ARG CA C 27 55.487 57.970 -2.483 1
1 354 . 2 1 1 A 27 27 ARG CB C 27 30.337 30.840 -0.503 1
1 357 . 2 1 1 A 27 27 ARG N N 27 121.126 121.933 -0.807 1
1 361 . 2 1 1 A 28 28 ASP H H 28 7.792 7.752 0.040 1
1 362 . 2 1 1 A 28 28 ASP HA H 28 4.431 4.820 -0.389 1
1 365 . 2 1 1 A 28 28 ASP C C 28 176.402 175.887 0.515 1
1 366 . 2 1 1 A 28 28 ASP CA C 28 54.427 53.766 0.661 1
1 367 . 2 1 1 A 28 28 ASP CB C 28 41.498 44.032 -2.534 1
1 368 . 2 1 1 A 28 28 ASP N N 28 115.368 114.482 0.886 1
1 369 . 2 1 1 A 29 29 ARG H H 29 8.781 8.727 0.054 1
1 370 . 2 1 1 A 29 29 ARG HA H 29 3.853 3.919 -0.066 1
1 378 . 2 1 1 A 29 29 ARG C C 29 177.811 177.862 -0.051 1
1 379 . 2 1 1 A 29 29 ARG CA C 29 58.920 60.062 -1.142 1
1 380 . 2 1 1 A 29 29 ARG CB C 29 29.762 30.002 -0.240 1
1 383 . 2 1 1 A 29 29 ARG N N 29 121.538 125.496 -3.958 1
1 385 . 2 1 1 A 30 30 SER H H 30 8.478 8.541 -0.063 1
1 386 . 2 1 1 A 30 30 SER HA H 30 4.190 4.261 -0.071 1
1 389 . 2 1 1 A 30 30 SER C C 30 176.814 177.416 -0.602 1
1 390 . 2 1 1 A 30 30 SER CA C 30 61.929 61.402 0.527 1
1 391 . 2 1 1 A 30 30 SER CB C 30 62.051 62.540 -0.489 1
1 392 . 2 1 1 A 30 30 SER N N 30 113.937 115.287 -1.350 1
1 393 . 2 1 1 A 31 31 THR H H 31 7.724 7.917 -0.193 1
1 394 . 2 1 1 A 31 31 THR HA H 31 4.096 4.068 0.028 1
1 399 . 2 1 1 A 31 31 THR C C 31 176.940 175.897 1.043 1
1 400 . 2 1 1 A 31 31 THR CA C 31 66.078 66.204 -0.126 1
1 401 . 2 1 1 A 31 31 THR CB C 31 67.583 68.425 -0.842 1
1 403 . 2 1 1 A 31 31 THR N N 31 120.025 116.636 3.389 1
1 404 . 2 1 1 A 32 32 TYR H H 32 8.186 8.515 -0.329 1
1 405 . 2 1 1 A 32 32 TYR HA H 32 4.009 4.142 -0.133 1
1 410 . 2 1 1 A 32 32 TYR C C 32 180.166 177.543 2.623 1
1 411 . 2 1 1 A 32 32 TYR CA C 32 61.797 62.263 -0.466 1
1 412 . 2 1 1 A 32 32 TYR CB C 32 37.300 38.507 -1.207 1
1 415 . 2 1 1 A 32 32 TYR N N 32 123.636 122.647 0.989 1
1 416 . 2 1 1 A 33 33 ASN H H 33 8.838 8.150 0.688 1
1 417 . 2 1 1 A 33 33 ASN HA H 33 4.435 4.287 0.148 1
1 422 . 2 1 1 A 33 33 ASN C C 33 176.730 177.428 -0.698 1
1 423 . 2 1 1 A 33 33 ASN CA C 33 55.167 56.297 -1.130 1
1 424 . 2 1 1 A 33 33 ASN CB C 33 37.308 37.684 -0.376 1
1 425 . 2 1 1 A 33 33 ASN N N 33 122.000 118.359 3.641 1
1 427 . 2 1 1 A 34 34 ASP H H 34 7.510 8.027 -0.517 1
1 428 . 2 1 1 A 34 34 ASP HA H 34 4.587 4.465 0.122 1
1 431 . 2 1 1 A 34 34 ASP C C 34 177.045 176.312 0.733 1
1 432 . 2 1 1 A 34 34 ASP CA C 34 56.487 56.281 0.206 1
1 433 . 2 1 1 A 34 34 ASP CB C 34 40.822 41.663 -0.841 1
1 434 . 2 1 1 A 34 34 ASP N N 34 119.832 118.281 1.551 1
1 435 . 2 1 1 A 35 35 GLY H H 35 7.412 7.593 -0.181 1
1 436 . 2 1 1 A 35 35 GLY HA2 H 35 3.997 3.941 0.056 1
1 437 . 2 1 1 A 35 35 GLY HA3 H 35 3.997 4.036 -0.039 1
1 438 . 2 1 1 A 35 35 GLY C C 35 171.246 171.551 -0.305 1
1 439 . 2 1 1 A 35 35 GLY CA C 35 46.441 45.720 0.721 1
1 440 . 2 1 1 A 35 35 GLY N N 35 106.611 104.894 1.717 1
1 441 . 2 1 1 A 36 36 HIS H H 36 8.441 8.809 -0.368 1
1 442 . 2 1 1 A 36 36 HIS HA H 36 4.782 5.306 -0.524 1
1 447 . 2 1 1 A 36 36 HIS C C 36 172.800 173.403 -0.603 1
1 448 . 2 1 1 A 36 36 HIS CA C 36 53.425 54.497 -1.072 1
1 449 . 2 1 1 A 36 36 HIS CB C 36 31.978 31.566 0.412 1
1 452 . 2 1 1 A 36 36 HIS N N 36 117.929 115.689 2.240 1
1 455 . 2 1 1 A 37 37 ILE H H 37 8.087 8.850 -0.763 1
1 456 . 2 1 1 A 37 37 ILE HA H 37 3.223 3.683 -0.460 1
1 466 . 2 1 1 A 37 37 ILE C C 37 175.423 176.262 -0.839 1
1 467 . 2 1 1 A 37 37 ILE CA C 37 64.607 61.949 2.658 1
1 468 . 2 1 1 A 37 37 ILE CB C 37 37.269 37.463 -0.194 1
1 472 . 2 1 1 A 37 37 ILE N N 37 120.831 120.880 -0.049 1
1 473 . 2 1 1 A 38 38 MET H H 38 7.625 8.656 -1.031 1
1 474 . 2 1 1 A 38 38 MET HA H 38 3.953 4.476 -0.523 1
1 482 . 2 1 1 A 38 38 MET C C 38 174.632 177.372 -2.740 1
1 483 . 2 1 1 A 38 38 MET CA C 38 57.865 57.110 0.755 1
1 484 . 2 1 1 A 38 38 MET CB C 38 32.882 32.227 0.655 1
1 487 . 2 1 1 A 38 38 MET N N 38 128.683 125.959 2.724 1
1 488 . 2 1 1 A 39 39 GLY H H 39 8.795 8.493 0.302 1
1 489 . 2 1 1 A 39 39 GLY HA2 H 39 3.727 3.869 -0.142 1
1 490 . 2 1 1 A 39 39 GLY HA3 H 39 4.345 3.886 0.459 1
1 491 . 2 1 1 A 39 39 GLY C C 39 175.442 174.402 1.040 1
1 492 . 2 1 1 A 39 39 GLY CA C 39 44.964 45.945 -0.981 1
1 493 . 2 1 1 A 39 39 GLY N N 39 113.814 114.192 -0.378 1
1 494 . 2 1 1 A 40 40 ALA H H 40 8.566 8.027 0.539 1
1 495 . 2 1 1 A 40 40 ALA HA H 40 4.656 4.638 0.018 1
1 499 . 2 1 1 A 40 40 ALA C C 40 177.459 176.687 0.772 1
1 500 . 2 1 1 A 40 40 ALA CA C 40 52.139 51.896 0.243 1
1 501 . 2 1 1 A 40 40 ALA CB C 40 20.657 20.706 -0.049 1
1 502 . 2 1 1 A 40 40 ALA N N 40 122.444 123.649 -1.205 1
1 503 . 2 1 1 A 41 41 MET H H 41 9.268 9.068 0.200 1
1 504 . 2 1 1 A 41 41 MET HA H 41 4.478 4.909 -0.431 1
1 512 . 2 1 1 A 41 41 MET C C 41 174.328 175.180 -0.852 1
1 513 . 2 1 1 A 41 41 MET CA C 41 54.330 54.190 0.140 1
1 514 . 2 1 1 A 41 41 MET CB C 41 34.473 34.227 0.246 1
1 517 . 2 1 1 A 41 41 MET N N 41 123.908 119.202 4.706 1
1 518 . 2 1 1 A 42 42 ALA H H 42 8.162 8.366 -0.204 1
1 519 . 2 1 1 A 42 42 ALA HA H 42 3.870 4.233 -0.363 1
1 523 . 2 1 1 A 42 42 ALA C C 42 177.157 176.185 0.972 1
1 524 . 2 1 1 A 42 42 ALA CA C 42 51.888 50.308 1.580 1
1 525 . 2 1 1 A 42 42 ALA CB C 42 16.282 18.993 -2.711 1
1 526 . 2 1 1 A 42 42 ALA N N 42 126.936 123.274 3.662 1
1 527 . 2 1 1 A 43 43 MET H H 43 8.109 8.108 0.001 1
1 528 . 2 1 1 A 43 43 MET HA H 43 4.386 4.962 -0.576 1
1 536 . 2 1 1 A 43 43 MET C C 43 168.952 173.279 -4.327 1
1 537 . 2 1 1 A 43 43 MET CA C 43 53.535 52.510 1.025 1
1 538 . 2 1 1 A 43 43 MET CB C 43 34.346 33.017 1.329 1
1 541 . 2 1 1 A 43 43 MET N N 43 125.282 123.067 2.215 1
1 542 . 2 1 1 A 44 44 PRO HA H 44 3.949 4.609 -0.660 1
1 549 . 2 1 1 A 44 44 PRO C C 44 179.070 177.979 1.091 1
1 550 . 2 1 1 A 44 44 PRO CA C 44 62.524 62.821 -0.297 1
1 551 . 2 1 1 A 44 44 PRO CB C 44 32.611 32.519 0.092 1
1 554 . 2 1 1 A 45 45 ILE H H 45 7.764 8.616 -0.852 1
1 555 . 2 1 1 A 45 45 ILE HA H 45 3.851 3.929 -0.078 1
1 565 . 2 1 1 A 45 45 ILE C C 45 175.827 177.455 -1.628 1
1 566 . 2 1 1 A 45 45 ILE CA C 45 64.676 63.571 1.105 1
1 567 . 2 1 1 A 45 45 ILE CB C 45 38.991 37.961 1.030 1
1 571 . 2 1 1 A 45 45 ILE N N 45 121.655 125.091 -3.436 1
1 572 . 2 1 1 A 46 46 GLU H H 46 9.102 8.603 0.499 1
1 573 . 2 1 1 A 46 46 GLU HA H 46 4.056 4.137 -0.081 1
1 578 . 2 1 1 A 46 46 GLU C C 46 176.499 177.773 -1.274 1
1 579 . 2 1 1 A 46 46 GLU CA C 46 59.349 58.619 0.730 1
1 580 . 2 1 1 A 46 46 GLU CB C 46 28.456 29.501 -1.045 1
1 582 . 2 1 1 A 46 46 GLU N N 46 121.004 119.413 1.591 1
1 583 . 2 1 1 A 47 47 ASP H H 47 7.729 7.807 -0.078 1
1 584 . 2 1 1 A 47 47 ASP HA H 47 5.059 4.571 0.488 1
1 587 . 2 1 1 A 47 47 ASP C C 47 175.683 177.499 -1.816 1
1 588 . 2 1 1 A 47 47 ASP CA C 47 53.266 54.871 -1.605 1
1 589 . 2 1 1 A 47 47 ASP CB C 47 42.048 40.997 1.051 1
1 590 . 2 1 1 A 47 47 ASP N N 47 117.171 120.017 -2.846 1
1 591 . 2 1 1 A 48 48 LEU H H 48 7.193 7.809 -0.616 1
1 592 . 2 1 1 A 48 48 LEU HA H 48 3.690 3.856 -0.166 1
1 602 . 2 1 1 A 48 48 LEU C C 48 176.829 178.511 -1.682 1
1 603 . 2 1 1 A 48 48 LEU CA C 48 58.905 59.013 -0.108 1
1 604 . 2 1 1 A 48 48 LEU CB C 48 43.334 41.930 1.404 1
1 608 . 2 1 1 A 48 48 LEU N N 48 121.314 120.708 0.606 1
1 609 . 2 1 1 A 49 49 VAL H H 49 8.507 7.913 0.594 1
1 610 . 2 1 1 A 49 49 VAL HA H 49 3.290 3.508 -0.218 1
1 618 . 2 1 1 A 49 49 VAL C C 49 178.915 177.856 1.059 1
1 619 . 2 1 1 A 49 49 VAL CA C 49 67.886 67.070 0.816 1
1 620 . 2 1 1 A 49 49 VAL CB C 49 30.881 31.587 -0.706 1
1 623 . 2 1 1 A 49 49 VAL N N 49 116.698 119.245 -2.547 1
1 624 . 2 1 1 A 50 50 ASP H H 50 8.474 8.265 0.209 1
1 625 . 2 1 1 A 50 50 ASP HA H 50 4.396 4.274 0.122 1
1 628 . 2 1 1 A 50 50 ASP C C 50 178.890 178.393 0.497 1
1 629 . 2 1 1 A 50 50 ASP CA C 50 57.477 57.599 -0.122 1
1 630 . 2 1 1 A 50 50 ASP CB C 50 40.945 41.996 -1.051 1
1 631 . 2 1 1 A 50 50 ASP N N 50 121.526 120.056 1.470 1
1 632 . 2 1 1 A 51 51 ARG H H 51 8.334 8.125 0.209 1
1 633 . 2 1 1 A 51 51 ARG HA H 51 4.079 3.990 0.089 1
1 641 . 2 1 1 A 51 51 ARG C C 51 179.634 178.607 1.027 1
1 642 . 2 1 1 A 51 51 ARG CA C 51 58.378 59.574 -1.196 1
1 643 . 2 1 1 A 51 51 ARG CB C 51 29.692 30.276 -0.584 1
1 646 . 2 1 1 A 51 51 ARG N N 51 118.666 118.355 0.311 1
1 648 . 2 1 1 A 52 52 ALA H H 52 9.250 8.228 1.022 1
1 649 . 2 1 1 A 52 52 ALA HA H 52 3.752 4.067 -0.315 1
1 653 . 2 1 1 A 52 52 ALA C C 52 179.710 179.966 -0.256 1
1 654 . 2 1 1 A 52 52 ALA CA C 52 55.830 55.312 0.518 1
1 655 . 2 1 1 A 52 52 ALA CB C 52 18.164 17.737 0.427 1
1 656 . 2 1 1 A 52 52 ALA N N 52 124.004 122.104 1.900 1
1 657 . 2 1 1 A 53 53 SER H H 53 8.392 8.325 0.067 1
1 658 . 2 1 1 A 53 53 SER HA H 53 4.457 4.341 0.116 1
1 661 . 2 1 1 A 53 53 SER C C 53 175.807 176.360 -0.553 1
1 662 . 2 1 1 A 53 53 SER CA C 53 62.214 61.264 0.950 1
1 663 . 2 1 1 A 53 53 SER CB C 53 62.805 63.163 -0.358 1
1 664 . 2 1 1 A 53 53 SER N N 53 111.154 113.744 -2.590 1
1 665 . 2 1 1 A 54 54 SER H H 54 7.570 7.648 -0.078 1
1 666 . 2 1 1 A 54 54 SER HA H 54 4.512 4.546 -0.034 1
1 669 . 2 1 1 A 54 54 SER C C 54 175.210 176.435 -1.225 1
1 670 . 2 1 1 A 54 54 SER CA C 54 59.567 60.848 -1.281 1
1 671 . 2 1 1 A 54 54 SER CB C 54 63.902 63.660 0.242 1
1 672 . 2 1 1 A 54 54 SER N N 54 112.745 114.685 -1.940 1
1 673 . 2 1 1 A 55 55 SER H H 55 7.501 8.056 -0.555 1
1 674 . 2 1 1 A 55 55 SER HA H 55 4.744 4.510 0.234 1
1 677 . 2 1 1 A 55 55 SER C C 55 173.106 173.947 -0.841 1
1 678 . 2 1 1 A 55 55 SER CA C 55 59.905 60.731 -0.826 1
1 679 . 2 1 1 A 55 55 SER CB C 55 65.881 64.047 1.834 1
1 680 . 2 1 1 A 55 55 SER N N 55 113.238 114.025 -0.787 1
1 681 . 2 1 1 A 56 56 LEU H H 56 8.320 7.845 0.475 1
1 682 . 2 1 1 A 56 56 LEU HA H 56 4.823 4.824 -0.001 1
1 692 . 2 1 1 A 56 56 LEU C C 56 175.441 176.772 -1.331 1
1 693 . 2 1 1 A 56 56 LEU CA C 56 53.476 53.282 0.194 1
1 694 . 2 1 1 A 56 56 LEU CB C 56 44.655 44.368 0.287 1
1 698 . 2 1 1 A 56 56 LEU N N 56 122.043 118.924 3.119 1
1 699 . 2 1 1 A 57 57 GLU H H 57 8.510 9.072 -0.562 1
1 700 . 2 1 1 A 57 57 GLU HA H 57 4.334 4.580 -0.246 1
1 705 . 2 1 1 A 57 57 GLU C C 57 177.869 177.691 0.178 1
1 706 . 2 1 1 A 57 57 GLU CA C 57 55.911 55.431 0.480 1
1 707 . 2 1 1 A 57 57 GLU CB C 57 30.193 31.222 -1.029 1
1 709 . 2 1 1 A 57 57 GLU N N 57 121.479 121.293 0.186 1
1 710 . 2 1 1 A 58 58 LYS H H 58 8.513 8.543 -0.030 1
1 711 . 2 1 1 A 58 58 LYS HA H 58 3.811 4.122 -0.311 1
1 720 . 2 1 1 A 58 58 LYS C C 58 178.345 178.104 0.241 1
1 721 . 2 1 1 A 58 58 LYS CA C 58 58.526 58.353 0.173 1
1 722 . 2 1 1 A 58 58 LYS CB C 58 31.265 32.884 -1.619 1
1 726 . 2 1 1 A 58 58 LYS N N 58 120.689 123.008 -2.319 1
1 727 . 2 1 1 A 59 59 SER H H 59 7.912 7.708 0.204 1
1 728 . 2 1 1 A 59 59 SER HA H 59 4.437 4.458 -0.021 1
1 731 . 2 1 1 A 59 59 SER C C 59 174.216 174.759 -0.543 1
1 732 . 2 1 1 A 59 59 SER CA C 59 57.862 58.672 -0.810 1
1 733 . 2 1 1 A 59 59 SER CB C 59 63.682 63.680 0.002 1
1 734 . 2 1 1 A 59 59 SER N N 59 111.530 111.931 -0.401 1
1 735 . 2 1 1 A 60 60 ARG H H 60 7.477 7.744 -0.267 1
1 736 . 2 1 1 A 60 60 ARG HA H 60 4.199 4.178 0.021 1
1 744 . 2 1 1 A 60 60 ARG C C 60 174.880 175.876 -0.996 1
1 745 . 2 1 1 A 60 60 ARG CA C 60 55.828 56.342 -0.514 1
1 746 . 2 1 1 A 60 60 ARG CB C 60 31.971 30.400 1.571 1
1 749 . 2 1 1 A 60 60 ARG N N 60 125.535 123.091 2.444 1
1 751 . 2 1 1 A 61 61 ASP H H 61 8.540 8.571 -0.031 1
1 752 . 2 1 1 A 61 61 ASP HA H 61 4.903 4.877 0.026 1
1 755 . 2 1 1 A 61 61 ASP C C 61 175.569 175.716 -0.147 1
1 756 . 2 1 1 A 61 61 ASP CA C 61 55.438 54.431 1.007 1
1 757 . 2 1 1 A 61 61 ASP CB C 61 40.847 40.806 0.041 1
1 758 . 2 1 1 A 61 61 ASP N N 61 126.761 125.434 1.327 1
1 759 . 2 1 1 A 62 62 ILE H H 62 8.630 9.051 -0.421 1
1 760 . 2 1 1 A 62 62 ILE HA H 62 5.038 4.808 0.230 1
1 770 . 2 1 1 A 62 62 ILE C C 62 174.444 174.059 0.385 1
1 771 . 2 1 1 A 62 62 ILE CA C 62 59.799 60.326 -0.527 1
1 772 . 2 1 1 A 62 62 ILE CB C 62 42.130 40.084 2.046 1
1 776 . 2 1 1 A 62 62 ILE N N 62 125.212 125.038 0.174 1
1 777 . 2 1 1 A 63 63 TYR H H 63 9.026 9.374 -0.348 1
1 778 . 2 1 1 A 63 63 TYR HA H 63 5.230 5.214 0.016 1
1 785 . 2 1 1 A 63 63 TYR C C 63 175.088 174.394 0.694 1
1 786 . 2 1 1 A 63 63 TYR CA C 63 56.143 56.762 -0.619 1
1 787 . 2 1 1 A 63 63 TYR CB C 63 41.302 40.133 1.169 1
1 792 . 2 1 1 A 63 63 TYR N N 63 125.467 126.602 -1.135 1
1 793 . 2 1 1 A 64 64 VAL H H 64 8.523 8.979 -0.456 1
1 794 . 2 1 1 A 64 64 VAL HA H 64 5.106 5.015 0.091 1
1 802 . 2 1 1 A 64 64 VAL C C 64 174.072 175.074 -1.002 1
1 803 . 2 1 1 A 64 64 VAL CA C 64 60.302 61.481 -1.179 1
1 804 . 2 1 1 A 64 64 VAL CB C 64 35.121 33.549 1.572 1
1 807 . 2 1 1 A 64 64 VAL N N 64 121.014 123.444 -2.430 1
1 808 . 2 1 1 A 65 65 TYR H H 65 8.832 9.063 -0.231 1
1 809 . 2 1 1 A 65 65 TYR HA H 65 5.289 5.711 -0.422 1
1 816 . 2 1 1 A 65 65 TYR C C 65 172.116 173.606 -1.490 1
1 817 . 2 1 1 A 65 65 TYR CA C 65 56.777 55.218 1.559 1
1 818 . 2 1 1 A 65 65 TYR CB C 65 42.528 41.958 0.570 1
1 819 . 2 1 1 A 65 65 TYR N N 65 120.331 122.540 -2.209 1
1 820 . 2 1 1 A 66 66 GLY H H 66 8.278 9.131 -0.853 1
1 821 . 2 1 1 A 66 66 GLY HA2 H 66 3.449 4.035 -0.586 1
1 822 . 2 1 1 A 66 66 GLY HA3 H 66 4.408 4.136 0.272 1
1 823 . 2 1 1 A 66 66 GLY C C 66 173.636 174.683 -1.047 1
1 824 . 2 1 1 A 66 66 GLY CA C 66 43.793 43.904 -0.111 1
1 825 . 2 1 1 A 66 66 GLY N N 66 108.458 109.146 -0.688 1
1 826 . 2 1 1 A 67 67 ALA H H 67 9.485 8.798 0.687 1
1 827 . 2 1 1 A 67 67 ALA HA H 67 4.331 4.188 0.143 1
1 831 . 2 1 1 A 67 67 ALA C C 67 176.363 177.419 -1.056 1
1 832 . 2 1 1 A 67 67 ALA CA C 67 52.848 54.060 -1.212 1
1 833 . 2 1 1 A 67 67 ALA CB C 67 18.178 19.601 -1.423 1
1 834 . 2 1 1 A 67 67 ALA N N 67 126.325 121.206 5.119 1
1 835 . 2 1 1 A 68 68 GLY H H 68 7.553 7.868 -0.315 1
1 836 . 2 1 1 A 68 68 GLY HA2 H 68 4.270 4.118 0.152 1
1 837 . 2 1 1 A 68 68 GLY HA3 H 68 4.209 4.128 0.081 1
1 838 . 2 1 1 A 68 68 GLY C C 68 173.695 174.823 -1.128 1
1 839 . 2 1 1 A 68 68 GLY CA C 68 44.112 44.353 -0.241 1
1 840 . 2 1 1 A 68 68 GLY N N 68 106.057 105.624 0.433 1
1 841 . 2 1 1 A 69 69 ASP H H 69 8.904 9.231 -0.327 1
1 842 . 2 1 1 A 69 69 ASP HA H 69 4.408 4.331 0.077 1
1 845 . 2 1 1 A 69 69 ASP C C 69 178.531 178.574 -0.043 1
1 846 . 2 1 1 A 69 69 ASP CA C 69 57.592 57.267 0.325 1
1 847 . 2 1 1 A 69 69 ASP CB C 69 40.198 40.317 -0.119 1
1 848 . 2 1 1 A 69 69 ASP N N 69 121.078 120.079 0.999 1
1 849 . 2 1 1 A 70 70 GLU H H 70 8.905 8.226 0.679 1
1 850 . 2 1 1 A 70 70 GLU HA H 70 4.110 3.977 0.133 1
1 855 . 2 1 1 A 70 70 GLU C C 70 178.745 178.890 -0.145 1
1 856 . 2 1 1 A 70 70 GLU CA C 70 59.956 59.796 0.160 1
1 857 . 2 1 1 A 70 70 GLU CB C 70 28.534 29.167 -0.633 1
1 859 . 2 1 1 A 70 70 GLU N N 70 120.998 120.392 0.606 1
1 860 . 2 1 1 A 71 71 GLN H H 71 8.453 7.860 0.593 1
1 861 . 2 1 1 A 71 71 GLN HA H 71 4.106 4.061 0.045 1
1 868 . 2 1 1 A 71 71 GLN C C 71 178.164 178.706 -0.542 1
1 869 . 2 1 1 A 71 71 GLN CA C 71 59.350 58.499 0.851 1
1 870 . 2 1 1 A 71 71 GLN CB C 71 29.682 28.304 1.378 1
1 872 . 2 1 1 A 71 71 GLN N N 71 121.273 118.526 2.747 1
1 874 . 2 1 1 A 72 72 THR H H 72 8.267 8.198 0.069 1
1 875 . 2 1 1 A 72 72 THR HA H 72 3.524 3.856 -0.332 1
1 880 . 2 1 1 A 72 72 THR C C 72 175.546 176.784 -1.238 1
1 881 . 2 1 1 A 72 72 THR CA C 72 67.395 66.640 0.755 1
1 882 . 2 1 1 A 72 72 THR CB C 72 68.145 68.821 -0.676 1
1 884 . 2 1 1 A 72 72 THR N N 72 115.641 117.497 -1.856 1
1 885 . 2 1 1 A 73 73 SER H H 73 8.265 8.444 -0.179 1
1 886 . 2 1 1 A 73 73 SER HA H 73 4.029 4.043 -0.014 1
1 889 . 2 1 1 A 73 73 SER C C 73 176.825 176.005 0.820 1
1 890 . 2 1 1 A 73 73 SER CA C 73 61.746 61.699 0.047 1
1 891 . 2 1 1 A 73 73 SER CB C 73 62.746 62.780 -0.034 1
1 892 . 2 1 1 A 73 73 SER N N 73 115.814 116.720 -0.906 1
1 893 . 2 1 1 A 74 74 GLN H H 74 8.119 8.133 -0.014 1
1 894 . 2 1 1 A 74 74 GLN HA H 74 4.090 4.003 0.087 1
1 901 . 2 1 1 A 74 74 GLN C C 74 178.630 178.006 0.624 1
1 902 . 2 1 1 A 74 74 GLN CA C 74 58.903 58.354 0.549 1
1 903 . 2 1 1 A 74 74 GLN CB C 74 27.943 28.898 -0.955 1
1 905 . 2 1 1 A 74 74 GLN N N 74 121.446 121.310 0.136 1
1 907 . 2 1 1 A 75 75 ALA H H 75 8.210 7.752 0.458 1
1 908 . 2 1 1 A 75 75 ALA HA H 75 3.879 4.014 -0.135 1
1 912 . 2 1 1 A 75 75 ALA C C 75 178.843 179.685 -0.842 1
1 913 . 2 1 1 A 75 75 ALA CA C 75 54.959 55.082 -0.123 1
1 914 . 2 1 1 A 75 75 ALA CB C 75 20.226 18.689 1.537 1
1 915 . 2 1 1 A 75 75 ALA N N 75 121.007 121.883 -0.876 1
1 916 . 2 1 1 A 76 76 VAL H H 76 8.257 8.006 0.251 1
1 917 . 2 1 1 A 76 76 VAL HA H 76 3.472 3.441 0.031 1
1 925 . 2 1 1 A 76 76 VAL C C 76 177.639 178.152 -0.513 1
1 926 . 2 1 1 A 76 76 VAL CA C 76 67.080 66.555 0.525 1
1 927 . 2 1 1 A 76 76 VAL CB C 76 30.945 31.630 -0.685 1
1 930 . 2 1 1 A 76 76 VAL N N 76 116.281 118.258 -1.977 1
1 931 . 2 1 1 A 77 77 ASN H H 77 8.190 8.498 -0.308 1
1 932 . 2 1 1 A 77 77 ASN HA H 77 4.430 4.389 0.041 1
1 937 . 2 1 1 A 77 77 ASN C C 77 178.638 177.818 0.820 1
1 938 . 2 1 1 A 77 77 ASN CA C 77 56.666 57.101 -0.435 1
1 939 . 2 1 1 A 77 77 ASN CB C 77 37.950 38.923 -0.973 1
1 940 . 2 1 1 A 77 77 ASN N N 77 118.786 119.142 -0.356 1
1 942 . 2 1 1 A 78 78 LEU H H 78 8.222 8.290 -0.068 1
1 943 . 2 1 1 A 78 78 LEU HA H 78 4.045 4.041 0.004 1
1 953 . 2 1 1 A 78 78 LEU C C 78 180.246 179.479 0.767 1
1 954 . 2 1 1 A 78 78 LEU CA C 78 57.926 58.101 -0.175 1
1 955 . 2 1 1 A 78 78 LEU CB C 78 41.892 41.619 0.273 1
1 959 . 2 1 1 A 78 78 LEU N N 78 121.759 119.804 1.955 1
1 960 . 2 1 1 A 79 79 LEU H H 79 7.887 8.270 -0.383 1
1 961 . 2 1 1 A 79 79 LEU HA H 79 4.051 3.934 0.117 1
1 971 . 2 1 1 A 79 79 LEU C C 79 179.804 179.350 0.454 1
1 972 . 2 1 1 A 79 79 LEU CA C 79 57.788 58.197 -0.409 1
1 973 . 2 1 1 A 79 79 LEU CB C 79 41.616 40.938 0.678 1
1 977 . 2 1 1 A 79 79 LEU N N 79 118.127 118.987 -0.860 1
1 978 . 2 1 1 A 80 80 ARG H H 80 8.942 8.418 0.524 1
1 979 . 2 1 1 A 80 80 ARG HA H 80 4.516 4.231 0.285 1
1 987 . 2 1 1 A 80 80 ARG C C 80 181.546 178.436 3.110 1
1 988 . 2 1 1 A 80 80 ARG CA C 80 60.006 58.642 1.364 1
1 989 . 2 1 1 A 80 80 ARG CB C 80 29.510 30.218 -0.708 1
1 992 . 2 1 1 A 80 80 ARG N N 80 120.974 118.647 2.327 1
1 994 . 2 1 1 A 81 81 SER H H 81 8.394 8.300 0.094 1
1 995 . 2 1 1 A 81 81 SER HA H 81 4.307 4.116 0.191 1
1 998 . 2 1 1 A 81 81 SER C C 81 174.601 176.150 -1.549 1
1 999 . 2 1 1 A 81 81 SER CA C 81 61.570 61.427 0.143 1
1 1000 . 2 1 1 A 81 81 SER CB C 81 62.832 63.259 -0.427 1
1 1001 . 2 1 1 A 81 81 SER N N 81 116.329 115.223 1.106 1
1 1002 . 2 1 1 A 82 82 ALA H H 82 7.507 7.575 -0.068 1
1 1003 . 2 1 1 A 82 82 ALA HA H 82 4.546 4.364 0.182 1
1 1007 . 2 1 1 A 82 82 ALA C C 82 176.449 178.352 -1.903 1
1 1008 . 2 1 1 A 82 82 ALA CA C 82 51.759 51.707 0.052 1
1 1009 . 2 1 1 A 82 82 ALA CB C 82 18.850 18.662 0.188 1
1 1010 . 2 1 1 A 82 82 ALA N N 82 122.576 119.731 2.845 1
1 1011 . 2 1 1 A 83 83 GLY H H 83 7.678 8.017 -0.339 1
1 1012 . 2 1 1 A 83 83 GLY HA2 H 83 3.623 3.853 -0.230 1
1 1013 . 2 1 1 A 83 83 GLY HA3 H 83 4.217 3.940 0.277 1
1 1014 . 2 1 1 A 83 83 GLY C C 83 174.557 174.423 0.134 1
1 1015 . 2 1 1 A 83 83 GLY CA C 83 44.741 45.232 -0.491 1
1 1016 . 2 1 1 A 83 83 GLY N N 83 104.117 107.525 -3.408 1
1 1017 . 2 1 1 A 84 84 PHE H H 84 7.923 7.380 0.543 1
1 1018 . 2 1 1 A 84 84 PHE HA H 84 4.254 4.438 -0.184 1
1 1026 . 2 1 1 A 84 84 PHE C C 84 176.479 176.094 0.385 1
1 1027 . 2 1 1 A 84 84 PHE CA C 84 60.127 59.241 0.886 1
1 1028 . 2 1 1 A 84 84 PHE CB C 84 36.999 38.754 -1.755 1
1 1034 . 2 1 1 A 84 84 PHE N N 84 119.861 119.770 0.091 1
1 1035 . 2 1 1 A 85 85 GLU H H 85 7.730 8.923 -1.193 1
1 1036 . 2 1 1 A 85 85 GLU HA H 85 3.965 4.202 -0.237 1
1 1041 . 2 1 1 A 85 85 GLU C C 85 176.966 177.111 -0.145 1
1 1042 . 2 1 1 A 85 85 GLU CA C 85 57.841 59.532 -1.691 1
1 1043 . 2 1 1 A 85 85 GLU CB C 85 32.054 30.007 2.047 1
1 1045 . 2 1 1 A 85 85 GLU N N 85 122.200 125.139 -2.939 1
1 1046 . 2 1 1 A 86 86 HIS H H 86 9.957 7.953 2.004 1
1 1047 . 2 1 1 A 86 86 HIS HA H 86 4.988 4.758 0.230 1
1 1052 . 2 1 1 A 86 86 HIS C C 86 171.400 174.040 -2.640 1
1 1053 . 2 1 1 A 86 86 HIS CA C 86 53.063 54.921 -1.858 1
1 1054 . 2 1 1 A 86 86 HIS CB C 86 29.823 28.310 1.513 1
1 1057 . 2 1 1 A 86 86 HIS N N 86 122.245 117.613 4.632 1
1 1060 . 2 1 1 A 87 87 VAL H H 87 8.233 8.870 -0.637 1
1 1061 . 2 1 1 A 87 87 VAL HA H 87 4.934 4.871 0.063 1
1 1069 . 2 1 1 A 87 87 VAL C C 87 175.510 173.918 1.592 1
1 1070 . 2 1 1 A 87 87 VAL CA C 87 59.972 60.805 -0.833 1
1 1071 . 2 1 1 A 87 87 VAL CB C 87 33.883 35.311 -1.428 1
1 1074 . 2 1 1 A 87 87 VAL N N 87 120.946 125.025 -4.079 1
1 1075 . 2 1 1 A 88 88 SER H H 88 8.968 8.989 -0.021 1
1 1076 . 2 1 1 A 88 88 SER HA H 88 4.869 5.141 -0.272 1
1 1079 . 2 1 1 A 88 88 SER C C 88 174.093 172.785 1.308 1
1 1080 . 2 1 1 A 88 88 SER CA C 88 55.935 56.430 -0.495 1
1 1081 . 2 1 1 A 88 88 SER CB C 88 66.077 65.923 0.154 1
1 1082 . 2 1 1 A 88 88 SER N N 88 121.913 122.308 -0.395 1
1 1083 . 2 1 1 A 89 89 GLU H H 89 8.628 8.565 0.063 1
1 1084 . 2 1 1 A 89 89 GLU HA H 89 4.233 4.953 -0.720 1
1 1089 . 2 1 1 A 89 89 GLU C C 89 175.212 175.165 0.047 1
1 1090 . 2 1 1 A 89 89 GLU CA C 89 55.728 55.354 0.374 1
1 1091 . 2 1 1 A 89 89 GLU CB C 89 31.640 30.953 0.687 1
1 1093 . 2 1 1 A 89 89 GLU N N 89 125.288 122.503 2.785 1
1 1094 . 2 1 1 A 90 90 LEU H H 90 8.727 8.682 0.045 1
1 1095 . 2 1 1 A 90 90 LEU HA H 90 4.829 4.957 -0.128 1
1 1105 . 2 1 1 A 90 90 LEU C C 90 175.893 176.217 -0.324 1
1 1106 . 2 1 1 A 90 90 LEU CA C 90 53.771 54.868 -1.097 1
1 1107 . 2 1 1 A 90 90 LEU CB C 90 41.511 43.766 -2.255 1
1 1111 . 2 1 1 A 90 90 LEU N N 90 125.766 126.983 -1.217 1
1 1112 . 2 1 1 A 91 91 LYS H H 91 8.715 8.970 -0.255 1
1 1113 . 2 1 1 A 91 91 LYS HA H 91 4.164 4.387 -0.223 1
1 1122 . 2 1 1 A 91 91 LYS C C 91 177.680 177.363 0.317 1
1 1123 . 2 1 1 A 91 91 LYS CA C 91 57.796 56.652 1.144 1
1 1124 . 2 1 1 A 91 91 LYS CB C 91 31.705 33.499 -1.794 1
1 1128 . 2 1 1 A 91 91 LYS N N 91 131.405 126.482 4.923 1
1 1129 . 2 1 1 A 92 92 GLY H H 92 9.408 8.538 0.870 1
1 1130 . 2 1 1 A 92 92 GLY HA2 H 92 3.828 3.979 -0.151 1
1 1131 . 2 1 1 A 92 92 GLY HA3 H 92 4.268 3.979 0.289 1
1 1132 . 2 1 1 A 92 92 GLY C C 92 175.634 174.123 1.511 1
1 1133 . 2 1 1 A 92 92 GLY CA C 92 46.001 45.522 0.479 1
1 1134 . 2 1 1 A 92 92 GLY N N 92 115.262 111.168 4.094 1
1 1135 . 2 1 1 A 93 93 GLY H H 93 7.616 8.544 -0.928 1
1 1136 . 2 1 1 A 93 93 GLY HA2 H 93 3.429 4.167 -0.738 1
1 1137 . 2 1 1 A 93 93 GLY HA3 H 93 4.276 4.206 0.070 1
1 1138 . 2 1 1 A 93 93 GLY C C 93 172.357 174.917 -2.560 1
1 1139 . 2 1 1 A 93 93 GLY CA C 93 46.436 44.986 1.450 1
1 1140 . 2 1 1 A 93 93 GLY N N 93 106.201 107.201 -1.000 1
1 1141 . 2 1 1 A 94 94 LEU H H 94 8.854 9.015 -0.161 1
1 1142 . 2 1 1 A 94 94 LEU HA H 94 3.643 4.118 -0.475 1
1 1152 . 2 1 1 A 94 94 LEU C C 94 178.092 178.534 -0.442 1
1 1153 . 2 1 1 A 94 94 LEU CA C 94 56.966 57.937 -0.971 1
1 1154 . 2 1 1 A 94 94 LEU CB C 94 41.937 42.081 -0.144 1
1 1158 . 2 1 1 A 94 94 LEU N N 94 124.279 124.703 -0.424 1
1 1159 . 2 1 1 A 95 95 ALA H H 95 8.683 8.322 0.361 1
1 1160 . 2 1 1 A 95 95 ALA HA H 95 4.061 4.020 0.041 1
1 1164 . 2 1 1 A 95 95 ALA C C 95 180.877 179.748 1.129 1
1 1165 . 2 1 1 A 95 95 ALA CA C 95 55.406 55.650 -0.244 1
1 1166 . 2 1 1 A 95 95 ALA CB C 95 18.053 18.070 -0.017 1
1 1167 . 2 1 1 A 95 95 ALA N N 95 120.253 120.681 -0.428 1
1 1168 . 2 1 1 A 96 96 ALA H H 96 7.249 7.957 -0.708 1
1 1169 . 2 1 1 A 96 96 ALA HA H 96 4.132 4.069 0.063 1
1 1173 . 2 1 1 A 96 96 ALA C C 96 179.350 179.476 -0.126 1
1 1174 . 2 1 1 A 96 96 ALA CA C 96 54.429 54.966 -0.537 1
1 1175 . 2 1 1 A 96 96 ALA CB C 96 18.580 18.268 0.312 1
1 1176 . 2 1 1 A 96 96 ALA N N 96 121.080 119.839 1.241 1
1 1177 . 2 1 1 A 97 97 TRP H H 97 7.636 8.367 -0.731 1
1 1178 . 2 1 1 A 97 97 TRP HA H 97 4.051 4.094 -0.043 1
1 1187 . 2 1 1 A 97 97 TRP C C 97 178.223 178.363 -0.140 1
1 1188 . 2 1 1 A 97 97 TRP CA C 97 59.343 61.607 -2.264 1
1 1189 . 2 1 1 A 97 97 TRP CB C 97 29.734 29.709 0.025 1
1 1195 . 2 1 1 A 97 97 TRP N N 97 119.015 121.154 -2.139 1
1 1197 . 2 1 1 A 98 98 LYS H H 98 8.764 8.367 0.397 1
1 1198 . 2 1 1 A 98 98 LYS HA H 98 3.886 4.087 -0.201 1
1 1207 . 2 1 1 A 98 98 LYS C C 98 180.503 179.104 1.399 1
1 1208 . 2 1 1 A 98 98 LYS CA C 98 59.365 59.345 0.020 1
1 1209 . 2 1 1 A 98 98 LYS CB C 98 31.899 32.134 -0.235 1
1 1213 . 2 1 1 A 98 98 LYS N N 98 117.855 118.943 -1.088 1
1 1214 . 2 1 1 A 99 99 ALA H H 99 7.802 8.285 -0.483 1
1 1215 . 2 1 1 A 99 99 ALA HA H 99 4.139 4.098 0.041 1
1 1219 . 2 1 1 A 99 99 ALA C C 99 179.188 179.447 -0.259 1
1 1220 . 2 1 1 A 99 99 ALA CA C 99 54.521 55.017 -0.496 1
1 1221 . 2 1 1 A 99 99 ALA CB C 99 18.016 18.524 -0.508 1
1 1222 . 2 1 1 A 99 99 ALA N N 99 121.263 121.331 -0.068 1
1 1223 . 2 1 1 A 100 100 ILE H H 100 6.803 7.764 -0.961 1
1 1224 . 2 1 1 A 100 100 ILE HA H 100 4.509 4.080 0.429 1
1 1234 . 2 1 1 A 100 100 ILE C C 100 175.810 176.333 -0.523 1
1 1235 . 2 1 1 A 100 100 ILE CA C 100 59.964 60.768 -0.804 1
1 1236 . 2 1 1 A 100 100 ILE CB C 100 37.866 37.250 0.616 1
1 1240 . 2 1 1 A 100 100 ILE N N 100 107.978 111.278 -3.300 1
1 1241 . 2 1 1 A 101 101 GLY H H 101 7.741 7.637 0.104 1
1 1242 . 2 1 1 A 101 101 GLY HA2 H 101 3.618 3.919 -0.301 1
1 1243 . 2 1 1 A 101 101 GLY HA3 H 101 3.866 3.926 -0.060 1
1 1244 . 2 1 1 A 101 101 GLY C C 101 175.319 175.092 0.227 1
1 1245 . 2 1 1 A 101 101 GLY CA C 101 45.444 46.526 -1.082 1
1 1246 . 2 1 1 A 101 101 GLY N N 101 109.732 112.092 -2.360 1
1 1247 . 2 1 1 A 102 102 GLY H H 102 7.823 8.015 -0.192 1
1 1248 . 2 1 1 A 102 102 GLY HA2 H 102 2.942 3.108 -0.166 1
1 1249 . 2 1 1 A 102 102 GLY HA3 H 102 2.942 3.723 -0.781 1
1 1250 . 2 1 1 A 102 102 GLY C C 102 171.578 172.930 -1.352 1
1 1251 . 2 1 1 A 102 102 GLY CA C 102 41.964 44.027 -2.063 1
1 1252 . 2 1 1 A 102 102 GLY N N 102 108.608 107.440 1.168 1
1 1253 . 2 1 1 A 103 103 PRO HA H 103 4.643 4.855 -0.212 1
1 1260 . 2 1 1 A 103 103 PRO C C 103 178.778 176.798 1.980 1
1 1261 . 2 1 1 A 103 103 PRO CA C 103 62.843 62.740 0.103 1
1 1262 . 2 1 1 A 103 103 PRO CB C 103 32.263 32.032 0.231 1
1 1265 . 2 1 1 A 104 104 THR H H 104 8.760 8.658 0.102 1
1 1266 . 2 1 1 A 104 104 THR HA H 104 5.017 5.167 -0.150 1
1 1271 . 2 1 1 A 104 104 THR C C 104 172.498 173.253 -0.755 1
1 1272 . 2 1 1 A 104 104 THR CA C 104 59.729 59.727 0.002 1
1 1273 . 2 1 1 A 104 104 THR CB C 104 72.479 72.597 -0.118 1
1 1275 . 2 1 1 A 104 104 THR N N 104 116.086 112.573 3.513 1
1 1276 . 2 1 1 A 105 105 GLU H H 105 8.267 8.672 -0.405 1
1 1277 . 2 1 1 A 105 105 GLU HA H 105 4.499 4.982 -0.483 1
1 1282 . 2 1 1 A 105 105 GLU C C 105 173.848 175.062 -1.214 1
1 1283 . 2 1 1 A 105 105 GLU CA C 105 54.647 54.147 0.500 1
1 1284 . 2 1 1 A 105 105 GLU CB C 105 34.227 34.070 0.157 1
1 1286 . 2 1 1 A 105 105 GLU N N 105 117.663 119.788 -2.125 1
1 1287 . 2 1 1 A 106 106 GLY H H 106 8.207 8.309 -0.102 1
1 1288 . 2 1 1 A 106 106 GLY HA2 H 106 3.873 4.091 -0.218 1
1 1289 . 2 1 1 A 106 106 GLY HA3 H 106 3.873 4.114 -0.241 1
1 1290 . 2 1 1 A 106 106 GLY C C 106 173.052 174.670 -1.618 1
1 1291 . 2 1 1 A 106 106 GLY CA C 106 44.313 45.624 -1.311 1
1 1292 . 2 1 1 A 106 106 GLY N N 106 108.896 108.378 0.518 1
1 1293 . 2 1 1 A 107 107 ILE H H 107 8.333 9.323 -0.990 1
1 1294 . 2 1 1 A 107 107 ILE HA H 107 4.110 3.758 0.352 1
1 1304 . 2 1 1 A 107 107 ILE C C 107 176.773 177.593 -0.820 1
1 1305 . 2 1 1 A 107 107 ILE CA C 107 62.404 64.357 -1.953 1
1 1306 . 2 1 1 A 107 107 ILE CB C 107 38.826 37.383 1.443 1
1 1310 . 2 1 1 A 107 107 ILE N N 107 119.410 120.960 -1.550 1
1 1311 . 2 1 1 A 108 108 ILE H H 108 8.369 7.359 1.010 1
1 1312 . 2 1 1 A 108 108 ILE HA H 108 4.167 3.992 0.175 1
1 1322 . 2 1 1 A 108 108 ILE C C 108 176.821 176.826 -0.005 1
1 1323 . 2 1 1 A 108 108 ILE CA C 108 61.060 63.840 -2.780 1
1 1324 . 2 1 1 A 108 108 ILE CB C 108 37.984 38.174 -0.190 1
1 1328 . 2 1 1 A 108 108 ILE N N 108 122.390 119.716 2.674 1
1 1329 . 2 1 1 A 109 109 GLU H H 109 8.127 7.529 0.598 1
1 1330 . 2 1 1 A 109 109 GLU HA H 109 4.218 4.488 -0.270 1
1 1335 . 2 1 1 A 109 109 GLU C C 109 176.438 176.206 0.232 1
1 1336 . 2 1 1 A 109 109 GLU CA C 109 56.548 55.773 0.775 1
1 1337 . 2 1 1 A 109 109 GLU CB C 109 30.178 28.426 1.752 1
1 1339 . 2 1 1 A 109 109 GLU N N 109 123.739 120.039 3.700 1
1 1340 . 2 1 1 A 110 110 SER H H 110 8.291 8.464 -0.173 1
1 1341 . 2 1 1 A 110 110 SER HA H 110 4.446 4.715 -0.269 1
1 1344 . 2 1 1 A 110 110 SER C C 110 174.330 173.495 0.835 1
1 1345 . 2 1 1 A 110 110 SER CA C 110 58.252 59.558 -1.306 1
1 1346 . 2 1 1 A 110 110 SER CB C 110 63.598 65.115 -1.517 1
1 1347 . 2 1 1 A 110 110 SER N N 110 116.242 120.910 -4.668 1
1 1348 . 2 1 1 A 111 111 ARG H H 111 8.238 7.865 0.373 1
1 1349 . 2 1 1 A 111 111 ARG HA H 111 4.426 4.902 -0.476 1
1 1357 . 2 1 1 A 111 111 ARG C C 111 176.113 176.124 -0.011 1
1 1358 . 2 1 1 A 111 111 ARG CA C 111 55.848 54.982 0.866 1
1 1359 . 2 1 1 A 111 111 ARG CB C 111 30.755 32.872 -2.117 1
1 1362 . 2 1 1 A 111 111 ARG N N 111 122.827 117.742 5.085 1
1 1364 . 2 1 1 A 112 112 THR H H 112 8.229 8.723 -0.494 1
1 1365 . 2 1 1 A 112 112 THR HA H 112 4.573 4.984 -0.411 1
1 1370 . 2 1 1 A 112 112 THR C C 112 172.790 171.998 0.792 1
1 1371 . 2 1 1 A 112 112 THR CA C 112 59.716 59.816 -0.100 1
1 1372 . 2 1 1 A 112 112 THR CB C 112 69.503 69.435 0.068 1
1 1374 . 2 1 1 A 112 112 THR N N 112 117.863 115.437 2.426 1
1 1375 . 2 1 1 A 113 113 PRO HA H 113 4.388 4.570 -0.182 1
1 1382 . 2 1 1 A 113 113 PRO C C 113 176.605 175.716 0.889 1
1 1383 . 2 1 1 A 113 113 PRO CA C 113 63.131 62.479 0.652 1
1 1384 . 2 1 1 A 113 113 PRO CB C 113 31.931 29.684 2.247 1
1 1387 . 2 1 1 A 114 114 ALA H H 114 8.422 8.099 0.323 1
1 1388 . 2 1 1 A 114 114 ALA HA H 114 4.284 4.779 -0.495 1
1 1392 . 2 1 1 A 114 114 ALA C C 114 178.251 176.583 1.668 1
1 1393 . 2 1 1 A 114 114 ALA CA C 114 52.518 51.793 0.725 1
1 1394 . 2 1 1 A 114 114 ALA CB C 114 19.131 21.680 -2.549 1
1 1395 . 2 1 1 A 114 114 ALA N N 114 124.466 124.776 -0.310 1
1 1396 . 2 1 1 A 115 115 GLY H H 115 8.380 8.457 -0.077 1
1 1397 . 2 1 1 A 115 115 GLY HA2 H 115 3.956 4.022 -0.066 1
1 1398 . 2 1 1 A 115 115 GLY HA3 H 115 3.934 4.023 -0.089 1
1 1399 . 2 1 1 A 115 115 GLY C C 115 174.020 174.624 -0.604 1
1 1400 . 2 1 1 A 115 115 GLY CA C 115 45.095 45.303 -0.208 1
1 1401 . 2 1 1 A 115 115 GLY N N 115 108.587 110.875 -2.288 1
1 1402 . 2 1 1 A 116 116 ALA H H 116 8.127 7.794 0.333 1
1 1403 . 2 1 1 A 116 116 ALA HA H 116 4.292 4.355 -0.063 1
1 1407 . 2 1 1 A 116 116 ALA C C 116 177.565 176.605 0.960 1
1 1408 . 2 1 1 A 116 116 ALA CA C 116 52.504 52.042 0.462 1
1 1409 . 2 1 1 A 116 116 ALA CB C 116 19.187 19.233 -0.046 1
1 1410 . 2 1 1 A 116 116 ALA N N 116 123.523 124.059 -0.536 1
1 1411 . 2 1 1 A 117 117 ASP H H 117 8.316 8.618 -0.302 1
1 1412 . 2 1 1 A 117 117 ASP HA H 117 4.555 5.195 -0.640 1
1 1415 . 2 1 1 A 117 117 ASP C C 117 175.899 173.982 1.917 1
1 1416 . 2 1 1 A 117 117 ASP CA C 117 54.254 54.446 -0.192 1
1 1417 . 2 1 1 A 117 117 ASP CB C 117 40.962 43.503 -2.541 1
1 1418 . 2 1 1 A 117 117 ASP N N 117 118.783 122.590 -3.807 1
1 1419 . 2 1 1 A 118 118 ASP H H 118 8.083 8.789 -0.706 1
1 1420 . 2 1 1 A 118 118 ASP HA H 118 4.529 5.433 -0.904 1
1 1423 . 2 1 1 A 118 118 ASP C C 118 176.278 174.240 2.038 1
1 1424 . 2 1 1 A 118 118 ASP CA C 118 54.202 53.313 0.889 1
1 1425 . 2 1 1 A 118 118 ASP CB C 118 40.933 44.403 -3.470 1
1 1426 . 2 1 1 A 118 118 ASP N N 118 119.935 122.659 -2.724 1
1 1427 . 2 1 1 A 119 119 TYR H H 119 8.107 8.690 -0.583 1
1 1428 . 2 1 1 A 119 119 TYR HA H 119 4.450 4.883 -0.433 1
1 1435 . 2 1 1 A 119 119 TYR C C 119 175.825 174.639 1.186 1
1 1436 . 2 1 1 A 119 119 TYR CA C 119 58.350 58.329 0.021 1
1 1437 . 2 1 1 A 119 119 TYR CB C 119 38.260 40.745 -2.485 1
1 1442 . 2 1 1 A 119 119 TYR N N 119 120.415 120.736 -0.321 1
1 1443 . 2 1 1 A 120 120 ASN H H 120 8.276 8.706 -0.430 1
1 1444 . 2 1 1 A 120 120 ASN HA H 120 4.615 4.889 -0.274 1
1 1449 . 2 1 1 A 120 120 ASN C C 120 175.102 174.648 0.454 1
1 1450 . 2 1 1 A 120 120 ASN CA C 120 53.396 52.097 1.299 1
1 1451 . 2 1 1 A 120 120 ASN CB C 120 38.712 39.486 -0.774 1
1 1452 . 2 1 1 A 120 120 ASN N N 120 119.834 122.034 -2.200 1
1 1454 . 2 1 1 A 121 121 VAL H H 121 7.897 7.324 0.573 1
1 1455 . 2 1 1 A 121 121 VAL HA H 121 4.009 4.191 -0.182 1
1 1463 . 2 1 1 A 121 121 VAL C C 121 176.484 175.344 1.140 1
1 1464 . 2 1 1 A 121 121 VAL CA C 121 62.950 61.859 1.091 1
1 1465 . 2 1 1 A 121 121 VAL CB C 121 32.326 32.197 0.129 1
1 1468 . 2 1 1 A 121 121 VAL N N 121 120.109 120.670 -0.561 1
1 1469 . 2 1 1 A 122 122 VAL H H 122 8.091 8.793 -0.702 1
1 1470 . 2 1 1 A 122 122 VAL HA H 122 4.014 4.913 -0.899 1
1 1478 . 2 1 1 A 122 122 VAL C C 122 176.568 174.567 2.001 1
1 1479 . 2 1 1 A 122 122 VAL CA C 122 62.924 60.115 2.809 1
1 1480 . 2 1 1 A 122 122 VAL CB C 122 32.279 33.325 -1.046 1
1 1483 . 2 1 1 A 122 122 VAL N N 122 122.407 123.293 -0.886 1
1 1484 . 2 1 1 A 123 123 SER H H 123 8.228 8.972 -0.744 1
1 1485 . 2 1 1 A 123 123 SER HA H 123 4.385 5.117 -0.732 1
1 1488 . 2 1 1 A 123 123 SER C C 123 174.863 173.017 1.846 1
1 1489 . 2 1 1 A 123 123 SER CA C 123 58.525 56.580 1.945 1
1 1490 . 2 1 1 A 123 123 SER CB C 123 63.450 64.845 -1.395 1
1 1491 . 2 1 1 A 123 123 SER N N 123 118.095 119.755 -1.660 1
1 1492 . 2 1 1 A 124 124 ARG H H 124 8.208 8.853 -0.645 1
1 1493 . 2 1 1 A 124 124 ARG HA H 124 4.297 5.273 -0.976 1
1 1500 . 2 1 1 A 124 124 ARG C C 124 176.328 174.360 1.968 1
1 1501 . 2 1 1 A 124 124 ARG CA C 124 56.408 54.693 1.715 1
1 1502 . 2 1 1 A 124 124 ARG CB C 124 30.480 34.334 -3.854 1
1 1505 . 2 1 1 A 124 124 ARG N N 124 122.632 124.670 -2.038 1
1 1506 . 2 1 1 A 125 125 LEU H H 125 8.081 8.766 -0.685 1
1 1507 . 2 1 1 A 125 125 LEU HA H 125 4.262 5.077 -0.815 1
1 1517 . 2 1 1 A 125 125 LEU C C 125 177.375 174.851 2.524 1
1 1518 . 2 1 1 A 125 125 LEU CA C 125 55.282 53.884 1.398 1
1 1519 . 2 1 1 A 125 125 LEU CB C 125 42.042 46.446 -4.404 1
1 1523 . 2 1 1 A 125 125 LEU N N 125 121.964 122.135 -0.171 1
1 1524 . 2 1 1 A 126 126 GLU H H 126 8.232 8.848 -0.616 1
1 1525 . 2 1 1 A 126 126 GLU HA H 126 4.179 5.035 -0.856 1
1 1530 . 2 1 1 A 126 126 GLU C C 126 176.238 174.603 1.635 1
1 1531 . 2 1 1 A 126 126 GLU CA C 126 56.451 55.546 0.905 1
1 1532 . 2 1 1 A 126 126 GLU CB C 126 30.131 33.228 -3.097 1
1 14 . 3 1 1 A 2 2 GLU H H 2 8.824 8.540 0.284 1
1 15 . 3 1 1 A 2 2 GLU HA H 2 4.687 4.309 0.378 1
1 20 . 3 1 1 A 2 2 GLU C C 2 175.506 176.726 -1.220 1
1 21 . 3 1 1 A 2 2 GLU CA C 2 54.603 55.157 -0.554 1
1 22 . 3 1 1 A 2 2 GLU CB C 2 29.310 29.185 0.125 1
1 24 . 3 1 1 A 2 2 GLU N N 2 125.698 125.555 0.143 1
1 25 . 3 1 1 A 3 3 PRO HA H 3 4.398 4.409 -0.011 1
1 32 . 3 1 1 A 3 3 PRO C C 3 176.267 176.629 -0.362 1
1 33 . 3 1 1 A 3 3 PRO CA C 3 64.781 65.169 -0.388 1
1 34 . 3 1 1 A 3 3 PRO CB C 3 31.918 31.815 0.103 1
1 37 . 3 1 1 A 4 4 GLN H H 4 7.738 8.059 -0.321 1
1 38 . 3 1 1 A 4 4 GLN HA H 4 4.908 5.183 -0.275 1
1 45 . 3 1 1 A 4 4 GLN C C 4 175.006 174.287 0.719 1
1 46 . 3 1 1 A 4 4 GLN CA C 4 54.697 54.739 -0.042 1
1 47 . 3 1 1 A 4 4 GLN CB C 4 31.196 31.113 0.083 1
1 49 . 3 1 1 A 4 4 GLN N N 4 114.971 117.769 -2.798 1
1 51 . 3 1 1 A 5 5 SER H H 5 9.180 9.137 0.043 1
1 52 . 3 1 1 A 5 5 SER HA H 5 4.825 5.172 -0.347 1
1 55 . 3 1 1 A 5 5 SER C C 5 172.669 173.588 -0.919 1
1 56 . 3 1 1 A 5 5 SER CA C 5 58.100 56.822 1.278 1
1 57 . 3 1 1 A 5 5 SER CB C 5 65.536 64.321 1.215 1
1 58 . 3 1 1 A 5 5 SER N N 5 117.801 120.576 -2.775 1
1 59 . 3 1 1 A 6 6 ASP H H 6 8.386 8.732 -0.346 1
1 60 . 3 1 1 A 6 6 ASP HA H 6 4.841 4.590 0.251 1
1 63 . 3 1 1 A 6 6 ASP C C 6 177.071 177.638 -0.567 1
1 64 . 3 1 1 A 6 6 ASP CA C 6 53.810 54.497 -0.687 1
1 65 . 3 1 1 A 6 6 ASP CB C 6 42.427 42.848 -0.421 1
1 66 . 3 1 1 A 6 6 ASP N N 6 123.042 126.341 -3.299 1
1 67 . 3 1 1 A 7 7 ALA H H 7 9.312 9.125 0.187 1
1 68 . 3 1 1 A 7 7 ALA HA H 7 4.036 4.161 -0.125 1
1 72 . 3 1 1 A 7 7 ALA C C 7 178.859 179.716 -0.857 1
1 73 . 3 1 1 A 7 7 ALA CA C 7 55.703 55.673 0.030 1
1 74 . 3 1 1 A 7 7 ALA CB C 7 17.952 18.316 -0.364 1
1 75 . 3 1 1 A 7 7 ALA N N 7 123.976 128.701 -4.725 1
1 76 . 3 1 1 A 8 8 HIS H H 8 8.537 7.910 0.627 1
1 77 . 3 1 1 A 8 8 HIS HA H 8 3.950 4.179 -0.229 1
1 82 . 3 1 1 A 8 8 HIS C C 8 178.023 177.169 0.854 1
1 83 . 3 1 1 A 8 8 HIS CA C 8 59.778 59.908 -0.130 1
1 84 . 3 1 1 A 8 8 HIS CB C 8 29.039 30.300 -1.261 1
1 87 . 3 1 1 A 8 8 HIS N N 8 114.303 118.059 -3.756 1
1 90 . 3 1 1 A 9 9 VAL H H 9 7.567 8.426 -0.859 1
1 91 . 3 1 1 A 9 9 VAL HA H 9 3.709 3.373 0.336 1
1 99 . 3 1 1 A 9 9 VAL C C 9 178.518 178.213 0.305 1
1 100 . 3 1 1 A 9 9 VAL CA C 9 65.508 66.587 -1.079 1
1 101 . 3 1 1 A 9 9 VAL CB C 9 31.604 31.467 0.137 1
1 104 . 3 1 1 A 9 9 VAL N N 9 121.235 119.109 2.126 1
1 105 . 3 1 1 A 10 10 LEU H H 10 7.219 8.297 -1.078 1
1 106 . 3 1 1 A 10 10 LEU HA H 10 3.716 3.923 -0.207 1
1 116 . 3 1 1 A 10 10 LEU C C 10 177.133 178.166 -1.033 1
1 117 . 3 1 1 A 10 10 LEU CA C 10 57.133 58.450 -1.317 1
1 118 . 3 1 1 A 10 10 LEU CB C 10 40.756 41.376 -0.620 1
1 122 . 3 1 1 A 10 10 LEU N N 10 120.890 121.594 -0.704 1
1 123 . 3 1 1 A 11 11 LYS H H 11 8.568 8.012 0.556 1
1 124 . 3 1 1 A 11 11 LYS HA H 11 3.943 3.852 0.091 1
1 133 . 3 1 1 A 11 11 LYS C C 11 178.143 179.053 -0.910 1
1 134 . 3 1 1 A 11 11 LYS CA C 11 60.388 59.506 0.882 1
1 135 . 3 1 1 A 11 11 LYS CB C 11 32.354 31.735 0.619 1
1 139 . 3 1 1 A 11 11 LYS N N 11 120.361 119.738 0.623 1
1 140 . 3 1 1 A 12 12 SER H H 12 7.865 8.076 -0.211 1
1 141 . 3 1 1 A 12 12 SER HA H 12 4.225 4.180 0.045 1
1 144 . 3 1 1 A 12 12 SER C C 12 175.839 175.752 0.087 1
1 145 . 3 1 1 A 12 12 SER CA C 12 61.626 61.638 -0.012 1
1 146 . 3 1 1 A 12 12 SER CB C 12 62.749 62.620 0.129 1
1 147 . 3 1 1 A 12 12 SER N N 12 113.173 117.304 -4.131 1
1 148 . 3 1 1 A 13 13 ARG H H 13 7.701 7.952 -0.251 1
1 149 . 3 1 1 A 13 13 ARG HA H 13 3.827 4.136 -0.309 1
1 157 . 3 1 1 A 13 13 ARG C C 13 178.606 178.596 0.010 1
1 158 . 3 1 1 A 13 13 ARG CA C 13 58.926 58.619 0.307 1
1 159 . 3 1 1 A 13 13 ARG CB C 13 29.616 29.928 -0.312 1
1 162 . 3 1 1 A 13 13 ARG N N 13 122.104 121.189 0.915 1
1 164 . 3 1 1 A 14 14 LEU H H 14 8.308 8.244 0.064 1
1 165 . 3 1 1 A 14 14 LEU HA H 14 4.219 4.387 -0.168 1
1 175 . 3 1 1 A 14 14 LEU C C 14 178.590 178.614 -0.024 1
1 176 . 3 1 1 A 14 14 LEU CA C 14 57.904 58.208 -0.304 1
1 177 . 3 1 1 A 14 14 LEU CB C 14 42.627 42.204 0.423 1
1 181 . 3 1 1 A 14 14 LEU N N 14 119.549 120.966 -1.417 1
1 182 . 3 1 1 A 15 15 GLU H H 15 7.824 8.663 -0.839 1
1 183 . 3 1 1 A 15 15 GLU HA H 15 3.998 4.085 -0.087 1
1 188 . 3 1 1 A 15 15 GLU C C 15 177.805 178.019 -0.214 1
1 189 . 3 1 1 A 15 15 GLU CA C 15 58.219 59.342 -1.123 1
1 190 . 3 1 1 A 15 15 GLU CB C 15 29.865 30.146 -0.281 1
1 192 . 3 1 1 A 15 15 GLU N N 15 116.921 117.876 -0.955 1
1 193 . 3 1 1 A 16 16 TRP H H 16 7.905 8.236 -0.331 1
1 194 . 3 1 1 A 16 16 TRP HA H 16 4.895 4.877 0.018 1
1 203 . 3 1 1 A 16 16 TRP C C 16 176.778 176.489 0.289 1
1 204 . 3 1 1 A 16 16 TRP CA C 16 57.033 57.505 -0.472 1
1 205 . 3 1 1 A 16 16 TRP CB C 16 30.513 30.070 0.443 1
1 211 . 3 1 1 A 16 16 TRP N N 16 116.589 116.926 -0.337 1
1 213 . 3 1 1 A 17 17 GLY H H 17 8.007 7.974 0.033 1
1 214 . 3 1 1 A 17 17 GLY HA2 H 17 3.979 4.180 -0.201 1
1 215 . 3 1 1 A 17 17 GLY HA3 H 17 4.200 4.197 0.003 1
1 216 . 3 1 1 A 17 17 GLY C C 17 173.650 172.646 1.004 1
1 217 . 3 1 1 A 17 17 GLY CA C 17 44.786 44.800 -0.014 1
1 218 . 3 1 1 A 17 17 GLY N N 17 108.398 108.301 0.097 1
1 219 . 3 1 1 A 18 18 GLU H H 18 8.483 8.349 0.134 1
1 220 . 3 1 1 A 18 18 GLU HA H 18 4.534 4.924 -0.390 1
1 225 . 3 1 1 A 18 18 GLU C C 18 176.535 174.873 1.662 1
1 226 . 3 1 1 A 18 18 GLU CA C 18 54.615 53.839 0.776 1
1 227 . 3 1 1 A 18 18 GLU CB C 18 29.654 32.381 -2.727 1
1 229 . 3 1 1 A 18 18 GLU N N 18 121.984 122.183 -0.199 1
1 230 . 3 1 1 A 19 19 PRO HA H 19 4.549 3.912 0.637 1
1 237 . 3 1 1 A 19 19 PRO C C 19 176.737 176.327 0.410 1
1 238 . 3 1 1 A 19 19 PRO CA C 19 63.685 62.656 1.029 1
1 239 . 3 1 1 A 19 19 PRO CB C 19 30.940 29.606 1.334 1
1 242 . 3 1 1 A 20 20 ALA H H 20 8.386 8.400 -0.014 1
1 243 . 3 1 1 A 20 20 ALA HA H 20 4.536 4.253 0.283 1
1 247 . 3 1 1 A 20 20 ALA C C 20 174.844 177.488 -2.644 1
1 248 . 3 1 1 A 20 20 ALA CA C 20 51.312 53.143 -1.831 1
1 249 . 3 1 1 A 20 20 ALA CB C 20 17.883 19.384 -1.501 1
1 250 . 3 1 1 A 20 20 ALA N N 20 126.537 123.146 3.391 1
1 251 . 3 1 1 A 21 21 PHE H H 21 7.244 7.287 -0.043 1
1 252 . 3 1 1 A 21 21 PHE HA H 21 5.485 5.008 0.477 1
1 260 . 3 1 1 A 21 21 PHE C C 21 173.639 174.611 -0.972 1
1 261 . 3 1 1 A 21 21 PHE CA C 21 55.312 55.494 -0.182 1
1 262 . 3 1 1 A 21 21 PHE CB C 21 41.581 41.798 -0.217 1
1 268 . 3 1 1 A 21 21 PHE N N 21 115.447 115.673 -0.226 1
1 269 . 3 1 1 A 22 22 THR H H 22 9.203 8.992 0.211 1
1 270 . 3 1 1 A 22 22 THR HA H 22 4.583 4.913 -0.330 1
1 275 . 3 1 1 A 22 22 THR C C 22 171.987 174.004 -2.017 1
1 276 . 3 1 1 A 22 22 THR CA C 22 62.368 61.654 0.714 1
1 277 . 3 1 1 A 22 22 THR CB C 22 72.961 69.974 2.987 1
1 279 . 3 1 1 A 22 22 THR N N 22 119.035 115.227 3.808 1
1 280 . 3 1 1 A 23 23 ILE H H 23 9.318 9.378 -0.060 1
1 281 . 3 1 1 A 23 23 ILE HA H 23 5.172 5.310 -0.138 1
1 291 . 3 1 1 A 23 23 ILE C C 23 173.969 175.466 -1.497 1
1 292 . 3 1 1 A 23 23 ILE CA C 23 59.958 60.612 -0.654 1
1 293 . 3 1 1 A 23 23 ILE CB C 23 40.273 38.995 1.278 1
1 297 . 3 1 1 A 23 23 ILE N N 23 127.452 129.448 -1.996 1
1 298 . 3 1 1 A 24 24 LEU H H 24 9.522 9.496 0.026 1
1 299 . 3 1 1 A 24 24 LEU HA H 24 4.871 5.101 -0.230 1
1 309 . 3 1 1 A 24 24 LEU C C 24 172.823 175.019 -2.196 1
1 310 . 3 1 1 A 24 24 LEU CA C 24 53.100 53.100 0.000 1
1 311 . 3 1 1 A 24 24 LEU CB C 24 44.522 44.037 0.485 1
1 315 . 3 1 1 A 24 24 LEU N N 24 127.148 128.070 -0.922 1
1 316 . 3 1 1 A 25 25 ASP H H 25 8.325 8.984 -0.659 1
1 317 . 3 1 1 A 25 25 ASP HA H 25 4.112 4.250 -0.138 1
1 320 . 3 1 1 A 25 25 ASP C C 25 177.457 176.890 0.567 1
1 321 . 3 1 1 A 25 25 ASP CA C 25 51.097 52.800 -1.703 1
1 322 . 3 1 1 A 25 25 ASP CB C 25 43.056 40.826 2.230 1
1 323 . 3 1 1 A 25 25 ASP N N 25 122.856 124.041 -1.185 1
1 324 . 3 1 1 A 26 26 VAL H H 26 7.924 7.942 -0.018 1
1 325 . 3 1 1 A 26 26 VAL HA H 26 4.964 4.767 0.197 1
1 333 . 3 1 1 A 26 26 VAL C C 26 176.585 176.725 -0.140 1
1 334 . 3 1 1 A 26 26 VAL CA C 26 59.554 61.520 -1.966 1
1 335 . 3 1 1 A 26 26 VAL CB C 26 30.002 31.846 -1.844 1
1 338 . 3 1 1 A 26 26 VAL N N 26 117.391 120.082 -2.691 1
1 339 . 3 1 1 A 27 27 ARG H H 27 7.773 7.305 0.468 1
1 340 . 3 1 1 A 27 27 ARG HA H 27 4.418 4.113 0.305 1
1 352 . 3 1 1 A 27 27 ARG C C 27 173.931 175.912 -1.981 1
1 353 . 3 1 1 A 27 27 ARG CA C 27 55.487 58.135 -2.648 1
1 354 . 3 1 1 A 27 27 ARG CB C 27 30.337 30.857 -0.520 1
1 357 . 3 1 1 A 27 27 ARG N N 27 121.126 120.712 0.414 1
1 361 . 3 1 1 A 28 28 ASP H H 28 7.792 7.695 0.097 1
1 362 . 3 1 1 A 28 28 ASP HA H 28 4.431 4.768 -0.337 1
1 365 . 3 1 1 A 28 28 ASP C C 28 176.402 175.811 0.591 1
1 366 . 3 1 1 A 28 28 ASP CA C 28 54.427 53.732 0.695 1
1 367 . 3 1 1 A 28 28 ASP CB C 28 41.498 43.936 -2.438 1
1 368 . 3 1 1 A 28 28 ASP N N 28 115.368 114.728 0.640 1
1 369 . 3 1 1 A 29 29 ARG H H 29 8.781 8.736 0.045 1
1 370 . 3 1 1 A 29 29 ARG HA H 29 3.853 3.925 -0.072 1
1 378 . 3 1 1 A 29 29 ARG C C 29 177.811 177.663 0.148 1
1 379 . 3 1 1 A 29 29 ARG CA C 29 58.920 59.581 -0.661 1
1 380 . 3 1 1 A 29 29 ARG CB C 29 29.762 30.027 -0.265 1
1 383 . 3 1 1 A 29 29 ARG N N 29 121.538 125.557 -4.019 1
1 385 . 3 1 1 A 30 30 SER H H 30 8.478 7.769 0.709 1
1 386 . 3 1 1 A 30 30 SER HA H 30 4.190 4.184 0.006 1
1 389 . 3 1 1 A 30 30 SER C C 30 176.814 176.367 0.447 1
1 390 . 3 1 1 A 30 30 SER CA C 30 61.929 62.568 -0.639 1
1 391 . 3 1 1 A 30 30 SER CB C 30 62.051 63.227 -1.176 1
1 392 . 3 1 1 A 30 30 SER N N 30 113.937 116.828 -2.891 1
1 393 . 3 1 1 A 31 31 THR H H 31 7.724 7.928 -0.204 1
1 394 . 3 1 1 A 31 31 THR HA H 31 4.096 3.934 0.162 1
1 399 . 3 1 1 A 31 31 THR C C 31 176.940 176.054 0.886 1
1 400 . 3 1 1 A 31 31 THR CA C 31 66.078 66.609 -0.531 1
1 401 . 3 1 1 A 31 31 THR CB C 31 67.583 68.587 -1.004 1
1 403 . 3 1 1 A 31 31 THR N N 31 120.025 117.408 2.617 1
1 404 . 3 1 1 A 32 32 TYR H H 32 8.186 8.446 -0.260 1
1 405 . 3 1 1 A 32 32 TYR HA H 32 4.009 4.125 -0.116 1
1 410 . 3 1 1 A 32 32 TYR C C 32 180.166 177.168 2.998 1
1 411 . 3 1 1 A 32 32 TYR CA C 32 61.797 62.445 -0.648 1
1 412 . 3 1 1 A 32 32 TYR CB C 32 37.300 38.558 -1.258 1
1 415 . 3 1 1 A 32 32 TYR N N 32 123.636 122.269 1.367 1
1 416 . 3 1 1 A 33 33 ASN H H 33 8.838 8.124 0.714 1
1 417 . 3 1 1 A 33 33 ASN HA H 33 4.435 4.293 0.142 1
1 422 . 3 1 1 A 33 33 ASN C C 33 176.730 178.149 -1.419 1
1 423 . 3 1 1 A 33 33 ASN CA C 33 55.167 56.316 -1.149 1
1 424 . 3 1 1 A 33 33 ASN CB C 33 37.308 37.847 -0.539 1
1 425 . 3 1 1 A 33 33 ASN N N 33 122.000 118.002 3.998 1
1 427 . 3 1 1 A 34 34 ASP H H 34 7.510 8.007 -0.497 1
1 428 . 3 1 1 A 34 34 ASP HA H 34 4.587 4.433 0.154 1
1 431 . 3 1 1 A 34 34 ASP C C 34 177.045 176.834 0.211 1
1 432 . 3 1 1 A 34 34 ASP CA C 34 56.487 57.016 -0.529 1
1 433 . 3 1 1 A 34 34 ASP CB C 34 40.822 41.258 -0.436 1
1 434 . 3 1 1 A 34 34 ASP N N 34 119.832 117.619 2.213 1
1 435 . 3 1 1 A 35 35 GLY H H 35 7.412 7.503 -0.091 1
1 436 . 3 1 1 A 35 35 GLY HA2 H 35 3.997 4.020 -0.023 1
1 437 . 3 1 1 A 35 35 GLY HA3 H 35 3.997 4.068 -0.071 1
1 438 . 3 1 1 A 35 35 GLY C C 35 171.246 171.738 -0.492 1
1 439 . 3 1 1 A 35 35 GLY CA C 35 46.441 45.611 0.830 1
1 440 . 3 1 1 A 35 35 GLY N N 35 106.611 102.767 3.844 1
1 441 . 3 1 1 A 36 36 HIS H H 36 8.441 9.010 -0.569 1
1 442 . 3 1 1 A 36 36 HIS HA H 36 4.782 5.274 -0.492 1
1 447 . 3 1 1 A 36 36 HIS C C 36 172.800 173.341 -0.541 1
1 448 . 3 1 1 A 36 36 HIS CA C 36 53.425 53.974 -0.549 1
1 449 . 3 1 1 A 36 36 HIS CB C 36 31.978 31.838 0.140 1
1 452 . 3 1 1 A 36 36 HIS N N 36 117.929 118.987 -1.058 1
1 455 . 3 1 1 A 37 37 ILE H H 37 8.087 8.994 -0.907 1
1 456 . 3 1 1 A 37 37 ILE HA H 37 3.223 3.681 -0.458 1
1 466 . 3 1 1 A 37 37 ILE C C 37 175.423 176.130 -0.707 1
1 467 . 3 1 1 A 37 37 ILE CA C 37 64.607 61.911 2.696 1
1 468 . 3 1 1 A 37 37 ILE CB C 37 37.269 37.656 -0.387 1
1 472 . 3 1 1 A 37 37 ILE N N 37 120.831 120.863 -0.032 1
1 473 . 3 1 1 A 38 38 MET H H 38 7.625 8.516 -0.891 1
1 474 . 3 1 1 A 38 38 MET HA H 38 3.953 4.537 -0.584 1
1 482 . 3 1 1 A 38 38 MET C C 38 174.632 177.312 -2.680 1
1 483 . 3 1 1 A 38 38 MET CA C 38 57.865 56.908 0.957 1
1 484 . 3 1 1 A 38 38 MET CB C 38 32.882 32.237 0.645 1
1 487 . 3 1 1 A 38 38 MET N N 38 128.683 125.680 3.003 1
1 488 . 3 1 1 A 39 39 GLY H H 39 8.795 8.786 0.009 1
1 489 . 3 1 1 A 39 39 GLY HA2 H 39 3.727 3.840 -0.113 1
1 490 . 3 1 1 A 39 39 GLY HA3 H 39 4.345 3.881 0.464 1
1 491 . 3 1 1 A 39 39 GLY C C 39 175.442 174.471 0.971 1
1 492 . 3 1 1 A 39 39 GLY CA C 39 44.964 46.174 -1.210 1
1 493 . 3 1 1 A 39 39 GLY N N 39 113.814 114.193 -0.379 1
1 494 . 3 1 1 A 40 40 ALA H H 40 8.566 7.829 0.737 1
1 495 . 3 1 1 A 40 40 ALA HA H 40 4.656 4.677 -0.021 1
1 499 . 3 1 1 A 40 40 ALA C C 40 177.459 176.458 1.001 1
1 500 . 3 1 1 A 40 40 ALA CA C 40 52.139 51.660 0.479 1
1 501 . 3 1 1 A 40 40 ALA CB C 40 20.657 21.140 -0.483 1
1 502 . 3 1 1 A 40 40 ALA N N 40 122.444 123.538 -1.094 1
1 503 . 3 1 1 A 41 41 MET H H 41 9.268 8.855 0.413 1
1 504 . 3 1 1 A 41 41 MET HA H 41 4.478 5.018 -0.540 1
1 512 . 3 1 1 A 41 41 MET C C 41 174.328 174.837 -0.509 1
1 513 . 3 1 1 A 41 41 MET CA C 41 54.330 53.729 0.601 1
1 514 . 3 1 1 A 41 41 MET CB C 41 34.473 34.311 0.162 1
1 517 . 3 1 1 A 41 41 MET N N 41 123.908 117.912 5.996 1
1 518 . 3 1 1 A 42 42 ALA H H 42 8.162 8.325 -0.163 1
1 519 . 3 1 1 A 42 42 ALA HA H 42 3.870 4.038 -0.168 1
1 523 . 3 1 1 A 42 42 ALA C C 42 177.157 176.244 0.913 1
1 524 . 3 1 1 A 42 42 ALA CA C 42 51.888 50.588 1.300 1
1 525 . 3 1 1 A 42 42 ALA CB C 42 16.282 18.760 -2.478 1
1 526 . 3 1 1 A 42 42 ALA N N 42 126.936 125.354 1.582 1
1 527 . 3 1 1 A 43 43 MET H H 43 8.109 8.067 0.042 1
1 528 . 3 1 1 A 43 43 MET HA H 43 4.386 4.970 -0.584 1
1 536 . 3 1 1 A 43 43 MET C C 43 168.952 173.682 -4.730 1
1 537 . 3 1 1 A 43 43 MET CA C 43 53.535 52.447 1.088 1
1 538 . 3 1 1 A 43 43 MET CB C 43 34.346 33.615 0.731 1
1 541 . 3 1 1 A 43 43 MET N N 43 125.282 123.185 2.097 1
1 542 . 3 1 1 A 44 44 PRO HA H 44 3.949 4.632 -0.683 1
1 549 . 3 1 1 A 44 44 PRO C C 44 179.070 177.995 1.075 1
1 550 . 3 1 1 A 44 44 PRO CA C 44 62.524 62.844 -0.320 1
1 551 . 3 1 1 A 44 44 PRO CB C 44 32.611 31.898 0.713 1
1 554 . 3 1 1 A 45 45 ILE H H 45 7.764 8.613 -0.849 1
1 555 . 3 1 1 A 45 45 ILE HA H 45 3.851 3.906 -0.055 1
1 565 . 3 1 1 A 45 45 ILE C C 45 175.827 177.497 -1.670 1
1 566 . 3 1 1 A 45 45 ILE CA C 45 64.676 63.700 0.976 1
1 567 . 3 1 1 A 45 45 ILE CB C 45 38.991 37.795 1.196 1
1 571 . 3 1 1 A 45 45 ILE N N 45 121.655 125.594 -3.939 1
1 572 . 3 1 1 A 46 46 GLU H H 46 9.102 8.959 0.143 1
1 573 . 3 1 1 A 46 46 GLU HA H 46 4.056 4.047 0.009 1
1 578 . 3 1 1 A 46 46 GLU C C 46 176.499 177.631 -1.132 1
1 579 . 3 1 1 A 46 46 GLU CA C 46 59.349 59.278 0.071 1
1 580 . 3 1 1 A 46 46 GLU CB C 46 28.456 29.130 -0.674 1
1 582 . 3 1 1 A 46 46 GLU N N 46 121.004 119.444 1.560 1
1 583 . 3 1 1 A 47 47 ASP H H 47 7.729 8.073 -0.344 1
1 584 . 3 1 1 A 47 47 ASP HA H 47 5.059 4.655 0.404 1
1 587 . 3 1 1 A 47 47 ASP C C 47 175.683 177.579 -1.896 1
1 588 . 3 1 1 A 47 47 ASP CA C 47 53.266 55.173 -1.907 1
1 589 . 3 1 1 A 47 47 ASP CB C 47 42.048 41.554 0.494 1
1 590 . 3 1 1 A 47 47 ASP N N 47 117.171 119.784 -2.613 1
1 591 . 3 1 1 A 48 48 LEU H H 48 7.193 7.866 -0.673 1
1 592 . 3 1 1 A 48 48 LEU HA H 48 3.690 3.902 -0.212 1
1 602 . 3 1 1 A 48 48 LEU C C 48 176.829 178.394 -1.565 1
1 603 . 3 1 1 A 48 48 LEU CA C 48 58.905 58.698 0.207 1
1 604 . 3 1 1 A 48 48 LEU CB C 48 43.334 41.752 1.582 1
1 608 . 3 1 1 A 48 48 LEU N N 48 121.314 121.572 -0.258 1
1 609 . 3 1 1 A 49 49 VAL H H 49 8.507 8.009 0.498 1
1 610 . 3 1 1 A 49 49 VAL HA H 49 3.290 3.528 -0.238 1
1 618 . 3 1 1 A 49 49 VAL C C 49 178.915 177.934 0.981 1
1 619 . 3 1 1 A 49 49 VAL CA C 49 67.886 66.994 0.892 1
1 620 . 3 1 1 A 49 49 VAL CB C 49 30.881 31.709 -0.828 1
1 623 . 3 1 1 A 49 49 VAL N N 49 116.698 119.286 -2.588 1
1 624 . 3 1 1 A 50 50 ASP H H 50 8.474 8.234 0.240 1
1 625 . 3 1 1 A 50 50 ASP HA H 50 4.396 4.293 0.103 1
1 628 . 3 1 1 A 50 50 ASP C C 50 178.890 178.337 0.553 1
1 629 . 3 1 1 A 50 50 ASP CA C 50 57.477 57.673 -0.196 1
1 630 . 3 1 1 A 50 50 ASP CB C 50 40.945 41.569 -0.624 1
1 631 . 3 1 1 A 50 50 ASP N N 50 121.526 119.958 1.568 1
1 632 . 3 1 1 A 51 51 ARG H H 51 8.334 8.353 -0.019 1
1 633 . 3 1 1 A 51 51 ARG HA H 51 4.079 3.996 0.083 1
1 641 . 3 1 1 A 51 51 ARG C C 51 179.634 178.804 0.830 1
1 642 . 3 1 1 A 51 51 ARG CA C 51 58.378 59.541 -1.163 1
1 643 . 3 1 1 A 51 51 ARG CB C 51 29.692 30.260 -0.568 1
1 646 . 3 1 1 A 51 51 ARG N N 51 118.666 118.431 0.235 1
1 648 . 3 1 1 A 52 52 ALA H H 52 9.250 7.987 1.263 1
1 649 . 3 1 1 A 52 52 ALA HA H 52 3.752 4.168 -0.416 1
1 653 . 3 1 1 A 52 52 ALA C C 52 179.710 179.651 0.059 1
1 654 . 3 1 1 A 52 52 ALA CA C 52 55.830 55.175 0.655 1
1 655 . 3 1 1 A 52 52 ALA CB C 52 18.164 18.107 0.057 1
1 656 . 3 1 1 A 52 52 ALA N N 52 124.004 121.697 2.307 1
1 657 . 3 1 1 A 53 53 SER H H 53 8.392 8.391 0.001 1
1 658 . 3 1 1 A 53 53 SER HA H 53 4.457 4.199 0.258 1
1 661 . 3 1 1 A 53 53 SER C C 53 175.807 177.043 -1.236 1
1 662 . 3 1 1 A 53 53 SER CA C 53 62.214 61.340 0.874 1
1 663 . 3 1 1 A 53 53 SER CB C 53 62.805 63.214 -0.409 1
1 664 . 3 1 1 A 53 53 SER N N 53 111.154 113.572 -2.418 1
1 665 . 3 1 1 A 54 54 SER H H 54 7.570 7.973 -0.403 1
1 666 . 3 1 1 A 54 54 SER HA H 54 4.512 4.332 0.180 1
1 669 . 3 1 1 A 54 54 SER C C 54 175.210 175.220 -0.010 1
1 670 . 3 1 1 A 54 54 SER CA C 54 59.567 60.099 -0.532 1
1 671 . 3 1 1 A 54 54 SER CB C 54 63.902 63.100 0.802 1
1 672 . 3 1 1 A 54 54 SER N N 54 112.745 115.384 -2.639 1
1 673 . 3 1 1 A 55 55 SER H H 55 7.501 7.985 -0.484 1
1 674 . 3 1 1 A 55 55 SER HA H 55 4.744 4.629 0.115 1
1 677 . 3 1 1 A 55 55 SER C C 55 173.106 174.274 -1.168 1
1 678 . 3 1 1 A 55 55 SER CA C 55 59.905 59.696 0.209 1
1 679 . 3 1 1 A 55 55 SER CB C 55 65.881 65.302 0.579 1
1 680 . 3 1 1 A 55 55 SER N N 55 113.238 115.116 -1.878 1
1 681 . 3 1 1 A 56 56 LEU H H 56 8.320 8.284 0.036 1
1 682 . 3 1 1 A 56 56 LEU HA H 56 4.823 4.423 0.400 1
1 692 . 3 1 1 A 56 56 LEU C C 56 175.441 176.899 -1.458 1
1 693 . 3 1 1 A 56 56 LEU CA C 56 53.476 54.421 -0.945 1
1 694 . 3 1 1 A 56 56 LEU CB C 56 44.655 42.733 1.922 1
1 698 . 3 1 1 A 56 56 LEU N N 56 122.043 119.135 2.908 1
1 699 . 3 1 1 A 57 57 GLU H H 57 8.510 8.675 -0.165 1
1 700 . 3 1 1 A 57 57 GLU HA H 57 4.334 4.514 -0.180 1
1 705 . 3 1 1 A 57 57 GLU C C 57 177.869 177.690 0.179 1
1 706 . 3 1 1 A 57 57 GLU CA C 57 55.911 56.244 -0.333 1
1 707 . 3 1 1 A 57 57 GLU CB C 57 30.193 31.597 -1.404 1
1 709 . 3 1 1 A 57 57 GLU N N 57 121.479 122.514 -1.035 1
1 710 . 3 1 1 A 58 58 LYS H H 58 8.513 8.811 -0.298 1
1 711 . 3 1 1 A 58 58 LYS HA H 58 3.811 3.710 0.101 1
1 720 . 3 1 1 A 58 58 LYS C C 58 178.345 177.433 0.912 1
1 721 . 3 1 1 A 58 58 LYS CA C 58 58.526 58.846 -0.320 1
1 722 . 3 1 1 A 58 58 LYS CB C 58 31.265 31.791 -0.526 1
1 726 . 3 1 1 A 58 58 LYS N N 58 120.689 126.412 -5.723 1
1 727 . 3 1 1 A 59 59 SER H H 59 7.912 7.786 0.126 1
1 728 . 3 1 1 A 59 59 SER HA H 59 4.437 4.589 -0.152 1
1 731 . 3 1 1 A 59 59 SER C C 59 174.216 174.669 -0.453 1
1 732 . 3 1 1 A 59 59 SER CA C 59 57.862 58.089 -0.227 1
1 733 . 3 1 1 A 59 59 SER CB C 59 63.682 63.831 -0.149 1
1 734 . 3 1 1 A 59 59 SER N N 59 111.530 110.451 1.079 1
1 735 . 3 1 1 A 60 60 ARG H H 60 7.477 7.602 -0.125 1
1 736 . 3 1 1 A 60 60 ARG HA H 60 4.199 4.220 -0.021 1
1 744 . 3 1 1 A 60 60 ARG C C 60 174.880 175.879 -0.999 1
1 745 . 3 1 1 A 60 60 ARG CA C 60 55.828 56.376 -0.548 1
1 746 . 3 1 1 A 60 60 ARG CB C 60 31.971 30.659 1.312 1
1 749 . 3 1 1 A 60 60 ARG N N 60 125.535 123.150 2.385 1
1 751 . 3 1 1 A 61 61 ASP H H 61 8.540 8.533 0.007 1
1 752 . 3 1 1 A 61 61 ASP HA H 61 4.903 4.846 0.057 1
1 755 . 3 1 1 A 61 61 ASP C C 61 175.569 175.693 -0.124 1
1 756 . 3 1 1 A 61 61 ASP CA C 61 55.438 54.414 1.024 1
1 757 . 3 1 1 A 61 61 ASP CB C 61 40.847 40.708 0.139 1
1 758 . 3 1 1 A 61 61 ASP N N 61 126.761 125.422 1.339 1
1 759 . 3 1 1 A 62 62 ILE H H 62 8.630 9.278 -0.648 1
1 760 . 3 1 1 A 62 62 ILE HA H 62 5.038 5.254 -0.216 1
1 770 . 3 1 1 A 62 62 ILE C C 62 174.444 174.450 -0.006 1
1 771 . 3 1 1 A 62 62 ILE CA C 62 59.799 60.450 -0.651 1
1 772 . 3 1 1 A 62 62 ILE CB C 62 42.130 39.670 2.460 1
1 776 . 3 1 1 A 62 62 ILE N N 62 125.212 125.074 0.138 1
1 777 . 3 1 1 A 63 63 TYR H H 63 9.026 9.550 -0.524 1
1 778 . 3 1 1 A 63 63 TYR HA H 63 5.230 5.278 -0.048 1
1 785 . 3 1 1 A 63 63 TYR C C 63 175.088 174.420 0.668 1
1 786 . 3 1 1 A 63 63 TYR CA C 63 56.143 56.699 -0.556 1
1 787 . 3 1 1 A 63 63 TYR CB C 63 41.302 40.524 0.778 1
1 792 . 3 1 1 A 63 63 TYR N N 63 125.467 127.088 -1.621 1
1 793 . 3 1 1 A 64 64 VAL H H 64 8.523 8.950 -0.427 1
1 794 . 3 1 1 A 64 64 VAL HA H 64 5.106 4.834 0.272 1
1 802 . 3 1 1 A 64 64 VAL C C 64 174.072 175.170 -1.098 1
1 803 . 3 1 1 A 64 64 VAL CA C 64 60.302 61.576 -1.274 1
1 804 . 3 1 1 A 64 64 VAL CB C 64 35.121 33.183 1.938 1
1 807 . 3 1 1 A 64 64 VAL N N 64 121.014 123.516 -2.502 1
1 808 . 3 1 1 A 65 65 TYR H H 65 8.832 8.962 -0.130 1
1 809 . 3 1 1 A 65 65 TYR HA H 65 5.289 5.747 -0.458 1
1 816 . 3 1 1 A 65 65 TYR C C 65 172.116 173.518 -1.402 1
1 817 . 3 1 1 A 65 65 TYR CA C 65 56.777 55.185 1.592 1
1 818 . 3 1 1 A 65 65 TYR CB C 65 42.528 42.019 0.509 1
1 819 . 3 1 1 A 65 65 TYR N N 65 120.331 123.005 -2.674 1
1 820 . 3 1 1 A 66 66 GLY H H 66 8.278 8.923 -0.645 1
1 821 . 3 1 1 A 66 66 GLY HA2 H 66 3.449 4.056 -0.607 1
1 822 . 3 1 1 A 66 66 GLY HA3 H 66 4.408 4.161 0.247 1
1 823 . 3 1 1 A 66 66 GLY C C 66 173.636 174.712 -1.076 1
1 824 . 3 1 1 A 66 66 GLY CA C 66 43.793 43.833 -0.040 1
1 825 . 3 1 1 A 66 66 GLY N N 66 108.458 108.961 -0.503 1
1 826 . 3 1 1 A 67 67 ALA H H 67 9.485 8.790 0.695 1
1 827 . 3 1 1 A 67 67 ALA HA H 67 4.331 4.207 0.124 1
1 831 . 3 1 1 A 67 67 ALA C C 67 176.363 177.116 -0.753 1
1 832 . 3 1 1 A 67 67 ALA CA C 67 52.848 53.239 -0.391 1
1 833 . 3 1 1 A 67 67 ALA CB C 67 18.178 19.885 -1.707 1
1 834 . 3 1 1 A 67 67 ALA N N 67 126.325 121.189 5.136 1
1 835 . 3 1 1 A 68 68 GLY H H 68 7.553 7.689 -0.136 1
1 836 . 3 1 1 A 68 68 GLY HA2 H 68 4.270 4.086 0.184 1
1 837 . 3 1 1 A 68 68 GLY HA3 H 68 4.209 4.098 0.111 1
1 838 . 3 1 1 A 68 68 GLY C C 68 173.695 174.517 -0.822 1
1 839 . 3 1 1 A 68 68 GLY CA C 68 44.112 45.099 -0.987 1
1 840 . 3 1 1 A 68 68 GLY N N 68 106.057 104.819 1.238 1
1 841 . 3 1 1 A 69 69 ASP H H 69 8.904 9.356 -0.452 1
1 842 . 3 1 1 A 69 69 ASP HA H 69 4.408 4.301 0.107 1
1 845 . 3 1 1 A 69 69 ASP C C 69 178.531 178.374 0.157 1
1 846 . 3 1 1 A 69 69 ASP CA C 69 57.592 57.426 0.166 1
1 847 . 3 1 1 A 69 69 ASP CB C 69 40.198 40.140 0.058 1
1 848 . 3 1 1 A 69 69 ASP N N 69 121.078 121.390 -0.312 1
1 849 . 3 1 1 A 70 70 GLU H H 70 8.905 8.332 0.573 1
1 850 . 3 1 1 A 70 70 GLU HA H 70 4.110 4.004 0.106 1
1 855 . 3 1 1 A 70 70 GLU C C 70 178.745 178.818 -0.073 1
1 856 . 3 1 1 A 70 70 GLU CA C 70 59.956 59.692 0.264 1
1 857 . 3 1 1 A 70 70 GLU CB C 70 28.534 29.025 -0.491 1
1 859 . 3 1 1 A 70 70 GLU N N 70 120.998 120.100 0.898 1
1 860 . 3 1 1 A 71 71 GLN H H 71 8.453 7.837 0.616 1
1 861 . 3 1 1 A 71 71 GLN HA H 71 4.106 4.077 0.029 1
1 868 . 3 1 1 A 71 71 GLN C C 71 178.164 178.404 -0.240 1
1 869 . 3 1 1 A 71 71 GLN CA C 71 59.350 58.559 0.791 1
1 870 . 3 1 1 A 71 71 GLN CB C 71 29.682 28.438 1.244 1
1 872 . 3 1 1 A 71 71 GLN N N 71 121.273 118.731 2.542 1
1 874 . 3 1 1 A 72 72 THR H H 72 8.267 8.262 0.005 1
1 875 . 3 1 1 A 72 72 THR HA H 72 3.524 3.870 -0.346 1
1 880 . 3 1 1 A 72 72 THR C C 72 175.546 176.015 -0.469 1
1 881 . 3 1 1 A 72 72 THR CA C 72 67.395 66.588 0.807 1
1 882 . 3 1 1 A 72 72 THR CB C 72 68.145 68.703 -0.558 1
1 884 . 3 1 1 A 72 72 THR N N 72 115.641 116.781 -1.140 1
1 885 . 3 1 1 A 73 73 SER H H 73 8.265 8.433 -0.168 1
1 886 . 3 1 1 A 73 73 SER HA H 73 4.029 4.295 -0.266 1
1 889 . 3 1 1 A 73 73 SER C C 73 176.825 177.389 -0.564 1
1 890 . 3 1 1 A 73 73 SER CA C 73 61.746 61.627 0.119 1
1 891 . 3 1 1 A 73 73 SER CB C 73 62.746 62.878 -0.132 1
1 892 . 3 1 1 A 73 73 SER N N 73 115.814 115.180 0.634 1
1 893 . 3 1 1 A 74 74 GLN H H 74 8.119 8.069 0.050 1
1 894 . 3 1 1 A 74 74 GLN HA H 74 4.090 4.050 0.040 1
1 901 . 3 1 1 A 74 74 GLN C C 74 178.630 177.732 0.898 1
1 902 . 3 1 1 A 74 74 GLN CA C 74 58.903 58.482 0.421 1
1 903 . 3 1 1 A 74 74 GLN CB C 74 27.943 28.822 -0.879 1
1 905 . 3 1 1 A 74 74 GLN N N 74 121.446 120.512 0.934 1
1 907 . 3 1 1 A 75 75 ALA H H 75 8.210 7.963 0.247 1
1 908 . 3 1 1 A 75 75 ALA HA H 75 3.879 4.062 -0.183 1
1 912 . 3 1 1 A 75 75 ALA C C 75 178.843 179.734 -0.891 1
1 913 . 3 1 1 A 75 75 ALA CA C 75 54.959 55.088 -0.129 1
1 914 . 3 1 1 A 75 75 ALA CB C 75 20.226 18.454 1.772 1
1 915 . 3 1 1 A 75 75 ALA N N 75 121.007 122.029 -1.022 1
1 916 . 3 1 1 A 76 76 VAL H H 76 8.257 8.182 0.075 1
1 917 . 3 1 1 A 76 76 VAL HA H 76 3.472 3.480 -0.008 1
1 925 . 3 1 1 A 76 76 VAL C C 76 177.639 178.246 -0.607 1
1 926 . 3 1 1 A 76 76 VAL CA C 76 67.080 66.606 0.474 1
1 927 . 3 1 1 A 76 76 VAL CB C 76 30.945 31.541 -0.596 1
1 930 . 3 1 1 A 76 76 VAL N N 76 116.281 118.439 -2.158 1
1 931 . 3 1 1 A 77 77 ASN H H 77 8.190 8.126 0.064 1
1 932 . 3 1 1 A 77 77 ASN HA H 77 4.430 4.430 0.000 1
1 937 . 3 1 1 A 77 77 ASN C C 77 178.638 177.929 0.709 1
1 938 . 3 1 1 A 77 77 ASN CA C 77 56.666 56.939 -0.273 1
1 939 . 3 1 1 A 77 77 ASN CB C 77 37.950 38.959 -1.009 1
1 940 . 3 1 1 A 77 77 ASN N N 77 118.786 118.918 -0.132 1
1 942 . 3 1 1 A 78 78 LEU H H 78 8.222 8.023 0.199 1
1 943 . 3 1 1 A 78 78 LEU HA H 78 4.045 3.988 0.057 1
1 953 . 3 1 1 A 78 78 LEU C C 78 180.246 179.543 0.703 1
1 954 . 3 1 1 A 78 78 LEU CA C 78 57.926 58.521 -0.595 1
1 955 . 3 1 1 A 78 78 LEU CB C 78 41.892 41.557 0.335 1
1 959 . 3 1 1 A 78 78 LEU N N 78 121.759 119.949 1.810 1
1 960 . 3 1 1 A 79 79 LEU H H 79 7.887 8.067 -0.180 1
1 961 . 3 1 1 A 79 79 LEU HA H 79 4.051 3.928 0.123 1
1 971 . 3 1 1 A 79 79 LEU C C 79 179.804 179.473 0.331 1
1 972 . 3 1 1 A 79 79 LEU CA C 79 57.788 58.228 -0.440 1
1 973 . 3 1 1 A 79 79 LEU CB C 79 41.616 41.338 0.278 1
1 977 . 3 1 1 A 79 79 LEU N N 79 118.127 119.013 -0.886 1
1 978 . 3 1 1 A 80 80 ARG H H 80 8.942 8.181 0.761 1
1 979 . 3 1 1 A 80 80 ARG HA H 80 4.516 4.650 -0.134 1
1 987 . 3 1 1 A 80 80 ARG C C 80 181.546 178.523 3.023 1
1 988 . 3 1 1 A 80 80 ARG CA C 80 60.006 58.710 1.296 1
1 989 . 3 1 1 A 80 80 ARG CB C 80 29.510 30.073 -0.563 1
1 992 . 3 1 1 A 80 80 ARG N N 80 120.974 118.740 2.234 1
1 994 . 3 1 1 A 81 81 SER H H 81 8.394 8.326 0.068 1
1 995 . 3 1 1 A 81 81 SER HA H 81 4.307 4.188 0.119 1
1 998 . 3 1 1 A 81 81 SER C C 81 174.601 176.330 -1.729 1
1 999 . 3 1 1 A 81 81 SER CA C 81 61.570 61.340 0.230 1
1 1000 . 3 1 1 A 81 81 SER CB C 81 62.832 63.202 -0.370 1
1 1001 . 3 1 1 A 81 81 SER N N 81 116.329 115.146 1.183 1
1 1002 . 3 1 1 A 82 82 ALA H H 82 7.507 7.463 0.044 1
1 1003 . 3 1 1 A 82 82 ALA HA H 82 4.546 4.404 0.142 1
1 1007 . 3 1 1 A 82 82 ALA C C 82 176.449 178.003 -1.554 1
1 1008 . 3 1 1 A 82 82 ALA CA C 82 51.759 52.054 -0.295 1
1 1009 . 3 1 1 A 82 82 ALA CB C 82 18.850 19.247 -0.397 1
1 1010 . 3 1 1 A 82 82 ALA N N 82 122.576 119.665 2.911 1
1 1011 . 3 1 1 A 83 83 GLY H H 83 7.678 7.958 -0.280 1
1 1012 . 3 1 1 A 83 83 GLY HA2 H 83 3.623 3.871 -0.248 1
1 1013 . 3 1 1 A 83 83 GLY HA3 H 83 4.217 3.957 0.260 1
1 1014 . 3 1 1 A 83 83 GLY C C 83 174.557 174.595 -0.038 1
1 1015 . 3 1 1 A 83 83 GLY CA C 83 44.741 45.072 -0.331 1
1 1016 . 3 1 1 A 83 83 GLY N N 83 104.117 106.894 -2.777 1
1 1017 . 3 1 1 A 84 84 PHE H H 84 7.923 7.692 0.231 1
1 1018 . 3 1 1 A 84 84 PHE HA H 84 4.254 4.437 -0.183 1
1 1026 . 3 1 1 A 84 84 PHE C C 84 176.479 175.950 0.529 1
1 1027 . 3 1 1 A 84 84 PHE CA C 84 60.127 59.280 0.847 1
1 1028 . 3 1 1 A 84 84 PHE CB C 84 36.999 38.596 -1.597 1
1 1034 . 3 1 1 A 84 84 PHE N N 84 119.861 119.592 0.269 1
1 1035 . 3 1 1 A 85 85 GLU H H 85 7.730 9.297 -1.567 1
1 1036 . 3 1 1 A 85 85 GLU HA H 85 3.965 4.347 -0.382 1
1 1041 . 3 1 1 A 85 85 GLU C C 85 176.966 176.813 0.153 1
1 1042 . 3 1 1 A 85 85 GLU CA C 85 57.841 58.964 -1.123 1
1 1043 . 3 1 1 A 85 85 GLU CB C 85 32.054 30.630 1.424 1
1 1045 . 3 1 1 A 85 85 GLU N N 85 122.200 124.876 -2.676 1
1 1046 . 3 1 1 A 86 86 HIS H H 86 9.957 7.775 2.182 1
1 1047 . 3 1 1 A 86 86 HIS HA H 86 4.988 4.875 0.113 1
1 1052 . 3 1 1 A 86 86 HIS C C 86 171.400 174.255 -2.855 1
1 1053 . 3 1 1 A 86 86 HIS CA C 86 53.063 54.811 -1.748 1
1 1054 . 3 1 1 A 86 86 HIS CB C 86 29.823 28.392 1.431 1
1 1057 . 3 1 1 A 86 86 HIS N N 86 122.245 116.449 5.796 1
1 1060 . 3 1 1 A 87 87 VAL H H 87 8.233 8.742 -0.509 1
1 1061 . 3 1 1 A 87 87 VAL HA H 87 4.934 4.843 0.091 1
1 1069 . 3 1 1 A 87 87 VAL C C 87 175.510 173.883 1.627 1
1 1070 . 3 1 1 A 87 87 VAL CA C 87 59.972 61.035 -1.063 1
1 1071 . 3 1 1 A 87 87 VAL CB C 87 33.883 34.959 -1.076 1
1 1074 . 3 1 1 A 87 87 VAL N N 87 120.946 125.085 -4.139 1
1 1075 . 3 1 1 A 88 88 SER H H 88 8.968 9.095 -0.127 1
1 1076 . 3 1 1 A 88 88 SER HA H 88 4.869 5.054 -0.185 1
1 1079 . 3 1 1 A 88 88 SER C C 88 174.093 172.885 1.208 1
1 1080 . 3 1 1 A 88 88 SER CA C 88 55.935 56.159 -0.224 1
1 1081 . 3 1 1 A 88 88 SER CB C 88 66.077 65.218 0.859 1
1 1082 . 3 1 1 A 88 88 SER N N 88 121.913 122.663 -0.750 1
1 1083 . 3 1 1 A 89 89 GLU H H 89 8.628 9.005 -0.377 1
1 1084 . 3 1 1 A 89 89 GLU HA H 89 4.233 4.699 -0.466 1
1 1089 . 3 1 1 A 89 89 GLU C C 89 175.212 175.335 -0.123 1
1 1090 . 3 1 1 A 89 89 GLU CA C 89 55.728 55.955 -0.227 1
1 1091 . 3 1 1 A 89 89 GLU CB C 89 31.640 30.521 1.119 1
1 1093 . 3 1 1 A 89 89 GLU N N 89 125.288 124.688 0.600 1
1 1094 . 3 1 1 A 90 90 LEU H H 90 8.727 8.984 -0.257 1
1 1095 . 3 1 1 A 90 90 LEU HA H 90 4.829 4.999 -0.170 1
1 1105 . 3 1 1 A 90 90 LEU C C 90 175.893 176.861 -0.968 1
1 1106 . 3 1 1 A 90 90 LEU CA C 90 53.771 54.947 -1.176 1
1 1107 . 3 1 1 A 90 90 LEU CB C 90 41.511 43.111 -1.600 1
1 1111 . 3 1 1 A 90 90 LEU N N 90 125.766 128.275 -2.509 1
1 1112 . 3 1 1 A 91 91 LYS H H 91 8.715 9.105 -0.390 1
1 1113 . 3 1 1 A 91 91 LYS HA H 91 4.164 3.933 0.231 1
1 1122 . 3 1 1 A 91 91 LYS C C 91 177.680 177.534 0.146 1
1 1123 . 3 1 1 A 91 91 LYS CA C 91 57.796 58.769 -0.973 1
1 1124 . 3 1 1 A 91 91 LYS CB C 91 31.705 32.173 -0.468 1
1 1128 . 3 1 1 A 91 91 LYS N N 91 131.405 127.584 3.821 1
1 1129 . 3 1 1 A 92 92 GLY H H 92 9.408 8.594 0.814 1
1 1130 . 3 1 1 A 92 92 GLY HA2 H 92 3.828 4.028 -0.200 1
1 1131 . 3 1 1 A 92 92 GLY HA3 H 92 4.268 4.041 0.227 1
1 1132 . 3 1 1 A 92 92 GLY C C 92 175.634 174.089 1.545 1
1 1133 . 3 1 1 A 92 92 GLY CA C 92 46.001 45.810 0.191 1
1 1134 . 3 1 1 A 92 92 GLY N N 92 115.262 111.833 3.429 1
1 1135 . 3 1 1 A 93 93 GLY H H 93 7.616 8.725 -1.109 1
1 1136 . 3 1 1 A 93 93 GLY HA2 H 93 3.429 4.221 -0.792 1
1 1137 . 3 1 1 A 93 93 GLY HA3 H 93 4.276 4.290 -0.014 1
1 1138 . 3 1 1 A 93 93 GLY C C 93 172.357 175.076 -2.719 1
1 1139 . 3 1 1 A 93 93 GLY CA C 93 46.436 44.403 2.033 1
1 1140 . 3 1 1 A 93 93 GLY N N 93 106.201 107.408 -1.207 1
1 1141 . 3 1 1 A 94 94 LEU H H 94 8.854 9.064 -0.210 1
1 1142 . 3 1 1 A 94 94 LEU HA H 94 3.643 4.221 -0.578 1
1 1152 . 3 1 1 A 94 94 LEU C C 94 178.092 178.659 -0.567 1
1 1153 . 3 1 1 A 94 94 LEU CA C 94 56.966 57.842 -0.876 1
1 1154 . 3 1 1 A 94 94 LEU CB C 94 41.937 41.912 0.025 1
1 1158 . 3 1 1 A 94 94 LEU N N 94 124.279 125.801 -1.522 1
1 1159 . 3 1 1 A 95 95 ALA H H 95 8.683 8.310 0.373 1
1 1160 . 3 1 1 A 95 95 ALA HA H 95 4.061 4.024 0.037 1
1 1164 . 3 1 1 A 95 95 ALA C C 95 180.877 179.719 1.158 1
1 1165 . 3 1 1 A 95 95 ALA CA C 95 55.406 55.469 -0.063 1
1 1166 . 3 1 1 A 95 95 ALA CB C 95 18.053 17.964 0.089 1
1 1167 . 3 1 1 A 95 95 ALA N N 95 120.253 120.798 -0.545 1
1 1168 . 3 1 1 A 96 96 ALA H H 96 7.249 8.014 -0.765 1
1 1169 . 3 1 1 A 96 96 ALA HA H 96 4.132 4.080 0.052 1
1 1173 . 3 1 1 A 96 96 ALA C C 96 179.350 179.595 -0.245 1
1 1174 . 3 1 1 A 96 96 ALA CA C 96 54.429 54.934 -0.505 1
1 1175 . 3 1 1 A 96 96 ALA CB C 96 18.580 18.279 0.301 1
1 1176 . 3 1 1 A 96 96 ALA N N 96 121.080 119.941 1.139 1
1 1177 . 3 1 1 A 97 97 TRP H H 97 7.636 8.180 -0.544 1
1 1178 . 3 1 1 A 97 97 TRP HA H 97 4.051 4.176 -0.125 1
1 1187 . 3 1 1 A 97 97 TRP C C 97 178.223 178.277 -0.054 1
1 1188 . 3 1 1 A 97 97 TRP CA C 97 59.343 61.586 -2.243 1
1 1189 . 3 1 1 A 97 97 TRP CB C 97 29.734 29.897 -0.163 1
1 1195 . 3 1 1 A 97 97 TRP N N 97 119.015 121.073 -2.058 1
1 1197 . 3 1 1 A 98 98 LYS H H 98 8.764 8.293 0.471 1
1 1198 . 3 1 1 A 98 98 LYS HA H 98 3.886 4.089 -0.203 1
1 1207 . 3 1 1 A 98 98 LYS C C 98 180.503 179.466 1.037 1
1 1208 . 3 1 1 A 98 98 LYS CA C 98 59.365 59.286 0.079 1
1 1209 . 3 1 1 A 98 98 LYS CB C 98 31.899 32.218 -0.319 1
1 1213 . 3 1 1 A 98 98 LYS N N 98 117.855 118.803 -0.948 1
1 1214 . 3 1 1 A 99 99 ALA H H 99 7.802 8.261 -0.459 1
1 1215 . 3 1 1 A 99 99 ALA HA H 99 4.139 4.128 0.011 1
1 1219 . 3 1 1 A 99 99 ALA C C 99 179.188 178.217 0.971 1
1 1220 . 3 1 1 A 99 99 ALA CA C 99 54.521 54.643 -0.122 1
1 1221 . 3 1 1 A 99 99 ALA CB C 99 18.016 18.444 -0.428 1
1 1222 . 3 1 1 A 99 99 ALA N N 99 121.263 120.932 0.331 1
1 1223 . 3 1 1 A 100 100 ILE H H 100 6.803 7.276 -0.473 1
1 1224 . 3 1 1 A 100 100 ILE HA H 100 4.509 4.135 0.374 1
1 1234 . 3 1 1 A 100 100 ILE C C 100 175.810 176.388 -0.578 1
1 1235 . 3 1 1 A 100 100 ILE CA C 100 59.964 60.342 -0.378 1
1 1236 . 3 1 1 A 100 100 ILE CB C 100 37.866 37.360 0.506 1
1 1240 . 3 1 1 A 100 100 ILE N N 100 107.978 110.812 -2.834 1
1 1241 . 3 1 1 A 101 101 GLY H H 101 7.741 7.974 -0.233 1
1 1242 . 3 1 1 A 101 101 GLY HA2 H 101 3.618 3.894 -0.276 1
1 1243 . 3 1 1 A 101 101 GLY HA3 H 101 3.866 3.898 -0.032 1
1 1244 . 3 1 1 A 101 101 GLY C C 101 175.319 175.082 0.237 1
1 1245 . 3 1 1 A 101 101 GLY CA C 101 45.444 46.708 -1.264 1
1 1246 . 3 1 1 A 101 101 GLY N N 101 109.732 111.257 -1.525 1
1 1247 . 3 1 1 A 102 102 GLY H H 102 7.823 7.826 -0.003 1
1 1248 . 3 1 1 A 102 102 GLY HA2 H 102 2.942 3.269 -0.327 1
1 1249 . 3 1 1 A 102 102 GLY HA3 H 102 2.942 3.785 -0.843 1
1 1250 . 3 1 1 A 102 102 GLY C C 102 171.578 172.795 -1.217 1
1 1251 . 3 1 1 A 102 102 GLY CA C 102 41.964 43.896 -1.932 1
1 1252 . 3 1 1 A 102 102 GLY N N 102 108.608 107.595 1.013 1
1 1253 . 3 1 1 A 103 103 PRO HA H 103 4.643 4.755 -0.112 1
1 1260 . 3 1 1 A 103 103 PRO C C 103 178.778 176.663 2.115 1
1 1261 . 3 1 1 A 103 103 PRO CA C 103 62.843 63.042 -0.199 1
1 1262 . 3 1 1 A 103 103 PRO CB C 103 32.263 31.706 0.557 1
1 1265 . 3 1 1 A 104 104 THR H H 104 8.760 8.524 0.236 1
1 1266 . 3 1 1 A 104 104 THR HA H 104 5.017 5.150 -0.133 1
1 1271 . 3 1 1 A 104 104 THR C C 104 172.498 173.157 -0.659 1
1 1272 . 3 1 1 A 104 104 THR CA C 104 59.729 59.544 0.185 1
1 1273 . 3 1 1 A 104 104 THR CB C 104 72.479 72.251 0.228 1
1 1275 . 3 1 1 A 104 104 THR N N 104 116.086 112.949 3.137 1
1 1276 . 3 1 1 A 105 105 GLU H H 105 8.267 8.679 -0.412 1
1 1277 . 3 1 1 A 105 105 GLU HA H 105 4.499 4.892 -0.393 1
1 1282 . 3 1 1 A 105 105 GLU C C 105 173.848 174.980 -1.132 1
1 1283 . 3 1 1 A 105 105 GLU CA C 105 54.647 54.605 0.042 1
1 1284 . 3 1 1 A 105 105 GLU CB C 105 34.227 32.635 1.592 1
1 1286 . 3 1 1 A 105 105 GLU N N 105 117.663 120.404 -2.741 1
1 1287 . 3 1 1 A 106 106 GLY H H 106 8.207 8.347 -0.140 1
1 1288 . 3 1 1 A 106 106 GLY HA2 H 106 3.873 4.223 -0.350 1
1 1289 . 3 1 1 A 106 106 GLY HA3 H 106 3.873 4.304 -0.431 1
1 1290 . 3 1 1 A 106 106 GLY C C 106 173.052 174.501 -1.449 1
1 1291 . 3 1 1 A 106 106 GLY CA C 106 44.313 45.326 -1.013 1
1 1292 . 3 1 1 A 106 106 GLY N N 106 108.896 108.356 0.540 1
1 1293 . 3 1 1 A 107 107 ILE H H 107 8.333 9.418 -1.085 1
1 1294 . 3 1 1 A 107 107 ILE HA H 107 4.110 3.768 0.342 1
1 1304 . 3 1 1 A 107 107 ILE C C 107 176.773 177.869 -1.096 1
1 1305 . 3 1 1 A 107 107 ILE CA C 107 62.404 64.164 -1.760 1
1 1306 . 3 1 1 A 107 107 ILE CB C 107 38.826 37.687 1.139 1
1 1310 . 3 1 1 A 107 107 ILE N N 107 119.410 120.725 -1.315 1
1 1311 . 3 1 1 A 108 108 ILE H H 108 8.369 8.134 0.235 1
1 1312 . 3 1 1 A 108 108 ILE HA H 108 4.167 3.922 0.245 1
1 1322 . 3 1 1 A 108 108 ILE C C 108 176.821 177.929 -1.108 1
1 1323 . 3 1 1 A 108 108 ILE CA C 108 61.060 64.105 -3.045 1
1 1324 . 3 1 1 A 108 108 ILE CB C 108 37.984 37.302 0.682 1
1 1328 . 3 1 1 A 108 108 ILE N N 108 122.390 117.631 4.759 1
1 1329 . 3 1 1 A 109 109 GLU H H 109 8.127 7.871 0.256 1
1 1330 . 3 1 1 A 109 109 GLU HA H 109 4.218 4.272 -0.054 1
1 1335 . 3 1 1 A 109 109 GLU C C 109 176.438 179.039 -2.601 1
1 1336 . 3 1 1 A 109 109 GLU CA C 109 56.548 58.565 -2.017 1
1 1337 . 3 1 1 A 109 109 GLU CB C 109 30.178 29.028 1.150 1
1 1339 . 3 1 1 A 109 109 GLU N N 109 123.739 121.488 2.251 1
1 1340 . 3 1 1 A 110 110 SER H H 110 8.291 7.731 0.560 1
1 1341 . 3 1 1 A 110 110 SER HA H 110 4.446 4.323 0.123 1
1 1344 . 3 1 1 A 110 110 SER C C 110 174.330 174.220 0.110 1
1 1345 . 3 1 1 A 110 110 SER CA C 110 58.252 60.665 -2.413 1
1 1346 . 3 1 1 A 110 110 SER CB C 110 63.598 63.907 -0.309 1
1 1347 . 3 1 1 A 110 110 SER N N 110 116.242 114.587 1.655 1
1 1348 . 3 1 1 A 111 111 ARG H H 111 8.238 7.235 1.003 1
1 1349 . 3 1 1 A 111 111 ARG HA H 111 4.426 4.691 -0.265 1
1 1357 . 3 1 1 A 111 111 ARG C C 111 176.113 173.845 2.268 1
1 1358 . 3 1 1 A 111 111 ARG CA C 111 55.848 54.923 0.925 1
1 1359 . 3 1 1 A 111 111 ARG CB C 111 30.755 33.199 -2.444 1
1 1362 . 3 1 1 A 111 111 ARG N N 111 122.827 116.813 6.014 1
1 1364 . 3 1 1 A 112 112 THR H H 112 8.229 8.722 -0.493 1
1 1365 . 3 1 1 A 112 112 THR HA H 112 4.573 4.938 -0.365 1
1 1370 . 3 1 1 A 112 112 THR C C 112 172.790 173.538 -0.748 1
1 1371 . 3 1 1 A 112 112 THR CA C 112 59.716 58.541 1.175 1
1 1372 . 3 1 1 A 112 112 THR CB C 112 69.503 69.716 -0.213 1
1 1374 . 3 1 1 A 112 112 THR N N 112 117.863 110.838 7.025 1
1 1375 . 3 1 1 A 113 113 PRO HA H 113 4.388 4.678 -0.290 1
1 1382 . 3 1 1 A 113 113 PRO C C 113 176.605 175.531 1.074 1
1 1383 . 3 1 1 A 113 113 PRO CA C 113 63.131 62.492 0.639 1
1 1384 . 3 1 1 A 113 113 PRO CB C 113 31.931 33.140 -1.209 1
1 1387 . 3 1 1 A 114 114 ALA H H 114 8.422 7.851 0.571 1
1 1388 . 3 1 1 A 114 114 ALA HA H 114 4.284 4.674 -0.390 1
1 1392 . 3 1 1 A 114 114 ALA C C 114 178.251 175.870 2.381 1
1 1393 . 3 1 1 A 114 114 ALA CA C 114 52.518 51.743 0.775 1
1 1394 . 3 1 1 A 114 114 ALA CB C 114 19.131 22.725 -3.594 1
1 1395 . 3 1 1 A 114 114 ALA N N 114 124.466 120.460 4.006 1
1 1396 . 3 1 1 A 115 115 GLY H H 115 8.380 8.445 -0.065 1
1 1397 . 3 1 1 A 115 115 GLY HA2 H 115 3.956 4.156 -0.200 1
1 1398 . 3 1 1 A 115 115 GLY HA3 H 115 3.934 4.156 -0.222 1
1 1399 . 3 1 1 A 115 115 GLY C C 115 174.020 172.076 1.944 1
1 1400 . 3 1 1 A 115 115 GLY CA C 115 45.095 46.023 -0.928 1
1 1401 . 3 1 1 A 115 115 GLY N N 115 108.587 105.306 3.281 1
1 1402 . 3 1 1 A 116 116 ALA H H 116 8.127 8.711 -0.584 1
1 1403 . 3 1 1 A 116 116 ALA HA H 116 4.292 5.323 -1.031 1
1 1407 . 3 1 1 A 116 116 ALA C C 116 177.565 175.244 2.321 1
1 1408 . 3 1 1 A 116 116 ALA CA C 116 52.504 51.227 1.277 1
1 1409 . 3 1 1 A 116 116 ALA CB C 116 19.187 23.647 -4.460 1
1 1410 . 3 1 1 A 116 116 ALA N N 116 123.523 126.660 -3.137 1
1 1411 . 3 1 1 A 117 117 ASP H H 117 8.316 8.872 -0.556 1
1 1412 . 3 1 1 A 117 117 ASP HA H 117 4.555 5.244 -0.689 1
1 1415 . 3 1 1 A 117 117 ASP C C 117 175.899 173.470 2.429 1
1 1416 . 3 1 1 A 117 117 ASP CA C 117 54.254 53.316 0.938 1
1 1417 . 3 1 1 A 117 117 ASP CB C 117 40.962 45.305 -4.343 1
1 1418 . 3 1 1 A 117 117 ASP N N 117 118.783 119.723 -0.940 1
1 1419 . 3 1 1 A 118 118 ASP H H 118 8.083 8.738 -0.655 1
1 1420 . 3 1 1 A 118 118 ASP HA H 118 4.529 5.386 -0.857 1
1 1423 . 3 1 1 A 118 118 ASP C C 118 176.278 174.037 2.241 1
1 1424 . 3 1 1 A 118 118 ASP CA C 118 54.202 52.802 1.400 1
1 1425 . 3 1 1 A 118 118 ASP CB C 118 40.933 44.882 -3.949 1
1 1426 . 3 1 1 A 118 118 ASP N N 118 119.935 121.649 -1.714 1
1 1427 . 3 1 1 A 119 119 TYR H H 119 8.107 9.059 -0.952 1
1 1428 . 3 1 1 A 119 119 TYR HA H 119 4.450 4.818 -0.368 1
1 1435 . 3 1 1 A 119 119 TYR C C 119 175.825 174.857 0.968 1
1 1436 . 3 1 1 A 119 119 TYR CA C 119 58.350 57.285 1.065 1
1 1437 . 3 1 1 A 119 119 TYR CB C 119 38.260 39.669 -1.409 1
1 1442 . 3 1 1 A 119 119 TYR N N 119 120.415 125.096 -4.681 1
1 1443 . 3 1 1 A 120 120 ASN H H 120 8.276 8.490 -0.214 1
1 1444 . 3 1 1 A 120 120 ASN HA H 120 4.615 4.725 -0.110 1
1 1449 . 3 1 1 A 120 120 ASN C C 120 175.102 175.119 -0.017 1
1 1450 . 3 1 1 A 120 120 ASN CA C 120 53.396 52.783 0.613 1
1 1451 . 3 1 1 A 120 120 ASN CB C 120 38.712 36.853 1.859 1
1 1452 . 3 1 1 A 120 120 ASN N N 120 119.834 124.559 -4.725 1
1 1454 . 3 1 1 A 121 121 VAL H H 121 7.897 7.662 0.235 1
1 1455 . 3 1 1 A 121 121 VAL HA H 121 4.009 4.322 -0.313 1
1 1463 . 3 1 1 A 121 121 VAL C C 121 176.484 174.936 1.548 1
1 1464 . 3 1 1 A 121 121 VAL CA C 121 62.950 61.724 1.226 1
1 1465 . 3 1 1 A 121 121 VAL CB C 121 32.326 30.977 1.349 1
1 1468 . 3 1 1 A 121 121 VAL N N 121 120.109 121.722 -1.613 1
1 1469 . 3 1 1 A 122 122 VAL H H 122 8.091 8.514 -0.423 1
1 1470 . 3 1 1 A 122 122 VAL HA H 122 4.014 4.830 -0.816 1
1 1478 . 3 1 1 A 122 122 VAL C C 122 176.568 175.088 1.480 1
1 1479 . 3 1 1 A 122 122 VAL CA C 122 62.924 61.388 1.536 1
1 1480 . 3 1 1 A 122 122 VAL CB C 122 32.279 33.109 -0.830 1
1 1483 . 3 1 1 A 122 122 VAL N N 122 122.407 127.544 -5.137 1
1 1484 . 3 1 1 A 123 123 SER H H 123 8.228 8.598 -0.370 1
1 1485 . 3 1 1 A 123 123 SER HA H 123 4.385 4.963 -0.578 1
1 1488 . 3 1 1 A 123 123 SER C C 123 174.863 172.512 2.351 1
1 1489 . 3 1 1 A 123 123 SER CA C 123 58.525 57.858 0.667 1
1 1490 . 3 1 1 A 123 123 SER CB C 123 63.450 64.767 -1.317 1
1 1491 . 3 1 1 A 123 123 SER N N 123 118.095 120.992 -2.897 1
1 1492 . 3 1 1 A 124 124 ARG H H 124 8.208 8.767 -0.559 1
1 1493 . 3 1 1 A 124 124 ARG HA H 124 4.297 4.795 -0.498 1
1 1500 . 3 1 1 A 124 124 ARG C C 124 176.328 174.199 2.129 1
1 1501 . 3 1 1 A 124 124 ARG CA C 124 56.408 55.502 0.906 1
1 1502 . 3 1 1 A 124 124 ARG CB C 124 30.480 33.400 -2.920 1
1 1505 . 3 1 1 A 124 124 ARG N N 124 122.632 127.655 -5.023 1
1 1506 . 3 1 1 A 125 125 LEU H H 125 8.081 8.869 -0.788 1
1 1507 . 3 1 1 A 125 125 LEU HA H 125 4.262 4.967 -0.705 1
1 1517 . 3 1 1 A 125 125 LEU C C 125 177.375 174.482 2.893 1
1 1518 . 3 1 1 A 125 125 LEU CA C 125 55.282 53.770 1.512 1
1 1519 . 3 1 1 A 125 125 LEU CB C 125 42.042 45.885 -3.843 1
1 1523 . 3 1 1 A 125 125 LEU N N 125 121.964 122.578 -0.614 1
1 1524 . 3 1 1 A 126 126 GLU H H 126 8.232 8.530 -0.298 1
1 1525 . 3 1 1 A 126 126 GLU HA H 126 4.179 4.739 -0.560 1
1 1530 . 3 1 1 A 126 126 GLU C C 126 176.238 174.364 1.874 1
1 1531 . 3 1 1 A 126 126 GLU CA C 126 56.451 55.104 1.347 1
1 1532 . 3 1 1 A 126 126 GLU CB C 126 30.131 33.717 -3.586 1
1 14 . 4 1 1 A 2 2 GLU H H 2 8.824 7.973 0.851 1
1 15 . 4 1 1 A 2 2 GLU HA H 2 4.687 4.450 0.237 1
1 20 . 4 1 1 A 2 2 GLU C C 2 175.506 176.983 -1.477 1
1 21 . 4 1 1 A 2 2 GLU CA C 2 54.603 58.074 -3.471 1
1 22 . 4 1 1 A 2 2 GLU CB C 2 29.310 28.594 0.716 1
1 24 . 4 1 1 A 2 2 GLU N N 2 125.698 117.710 7.988 1
1 25 . 4 1 1 A 3 3 PRO HA H 3 4.398 4.430 -0.032 1
1 32 . 4 1 1 A 3 3 PRO C C 3 176.267 176.572 -0.305 1
1 33 . 4 1 1 A 3 3 PRO CA C 3 64.781 65.137 -0.356 1
1 34 . 4 1 1 A 3 3 PRO CB C 3 31.918 31.896 0.022 1
1 37 . 4 1 1 A 4 4 GLN H H 4 7.738 7.986 -0.248 1
1 38 . 4 1 1 A 4 4 GLN HA H 4 4.908 4.818 0.090 1
1 45 . 4 1 1 A 4 4 GLN C C 4 175.006 174.300 0.706 1
1 46 . 4 1 1 A 4 4 GLN CA C 4 54.697 54.852 -0.155 1
1 47 . 4 1 1 A 4 4 GLN CB C 4 31.196 31.299 -0.103 1
1 49 . 4 1 1 A 4 4 GLN N N 4 114.971 117.914 -2.943 1
1 51 . 4 1 1 A 5 5 SER H H 5 9.180 8.821 0.359 1
1 52 . 4 1 1 A 5 5 SER HA H 5 4.825 5.313 -0.488 1
1 55 . 4 1 1 A 5 5 SER C C 5 172.669 172.220 0.449 1
1 56 . 4 1 1 A 5 5 SER CA C 5 58.100 56.582 1.518 1
1 57 . 4 1 1 A 5 5 SER CB C 5 65.536 65.977 -0.441 1
1 58 . 4 1 1 A 5 5 SER N N 5 117.801 119.811 -2.010 1
1 59 . 4 1 1 A 6 6 ASP H H 6 8.386 8.647 -0.261 1
1 60 . 4 1 1 A 6 6 ASP HA H 6 4.841 4.626 0.215 1
1 63 . 4 1 1 A 6 6 ASP C C 6 177.071 177.388 -0.317 1
1 64 . 4 1 1 A 6 6 ASP CA C 6 53.810 54.258 -0.448 1
1 65 . 4 1 1 A 6 6 ASP CB C 6 42.427 42.439 -0.012 1
1 66 . 4 1 1 A 6 6 ASP N N 6 123.042 124.986 -1.944 1
1 67 . 4 1 1 A 7 7 ALA H H 7 9.312 8.889 0.423 1
1 68 . 4 1 1 A 7 7 ALA HA H 7 4.036 4.178 -0.142 1
1 72 . 4 1 1 A 7 7 ALA C C 7 178.859 180.066 -1.207 1
1 73 . 4 1 1 A 7 7 ALA CA C 7 55.703 55.541 0.162 1
1 74 . 4 1 1 A 7 7 ALA CB C 7 17.952 18.219 -0.267 1
1 75 . 4 1 1 A 7 7 ALA N N 7 123.976 127.826 -3.850 1
1 76 . 4 1 1 A 8 8 HIS H H 8 8.537 7.776 0.761 1
1 77 . 4 1 1 A 8 8 HIS HA H 8 3.950 4.268 -0.318 1
1 82 . 4 1 1 A 8 8 HIS C C 8 178.023 177.847 0.176 1
1 83 . 4 1 1 A 8 8 HIS CA C 8 59.778 57.930 1.848 1
1 84 . 4 1 1 A 8 8 HIS CB C 8 29.039 28.476 0.563 1
1 87 . 4 1 1 A 8 8 HIS N N 8 114.303 115.545 -1.242 1
1 90 . 4 1 1 A 9 9 VAL H H 9 7.567 8.097 -0.530 1
1 91 . 4 1 1 A 9 9 VAL HA H 9 3.709 3.562 0.147 1
1 99 . 4 1 1 A 9 9 VAL C C 9 178.518 178.478 0.040 1
1 100 . 4 1 1 A 9 9 VAL CA C 9 65.508 66.839 -1.331 1
1 101 . 4 1 1 A 9 9 VAL CB C 9 31.604 31.285 0.319 1
1 104 . 4 1 1 A 9 9 VAL N N 9 121.235 121.137 0.098 1
1 105 . 4 1 1 A 10 10 LEU H H 10 7.219 7.900 -0.681 1
1 106 . 4 1 1 A 10 10 LEU HA H 10 3.716 3.939 -0.223 1
1 116 . 4 1 1 A 10 10 LEU C C 10 177.133 178.169 -1.036 1
1 117 . 4 1 1 A 10 10 LEU CA C 10 57.133 58.016 -0.883 1
1 118 . 4 1 1 A 10 10 LEU CB C 10 40.756 41.374 -0.618 1
1 122 . 4 1 1 A 10 10 LEU N N 10 120.890 121.028 -0.138 1
1 123 . 4 1 1 A 11 11 LYS H H 11 8.568 8.312 0.256 1
1 124 . 4 1 1 A 11 11 LYS HA H 11 3.943 3.928 0.015 1
1 133 . 4 1 1 A 11 11 LYS C C 11 178.143 178.945 -0.802 1
1 134 . 4 1 1 A 11 11 LYS CA C 11 60.388 59.629 0.759 1
1 135 . 4 1 1 A 11 11 LYS CB C 11 32.354 31.758 0.596 1
1 139 . 4 1 1 A 11 11 LYS N N 11 120.361 119.903 0.458 1
1 140 . 4 1 1 A 12 12 SER H H 12 7.865 8.407 -0.542 1
1 141 . 4 1 1 A 12 12 SER HA H 12 4.225 4.466 -0.241 1
1 144 . 4 1 1 A 12 12 SER C C 12 175.839 176.069 -0.230 1
1 145 . 4 1 1 A 12 12 SER CA C 12 61.626 61.853 -0.227 1
1 146 . 4 1 1 A 12 12 SER CB C 12 62.749 62.826 -0.077 1
1 147 . 4 1 1 A 12 12 SER N N 12 113.173 117.665 -4.492 1
1 148 . 4 1 1 A 13 13 ARG H H 13 7.701 7.758 -0.057 1
1 149 . 4 1 1 A 13 13 ARG HA H 13 3.827 4.207 -0.380 1
1 157 . 4 1 1 A 13 13 ARG C C 13 178.606 178.404 0.202 1
1 158 . 4 1 1 A 13 13 ARG CA C 13 58.926 58.552 0.374 1
1 159 . 4 1 1 A 13 13 ARG CB C 13 29.616 29.914 -0.298 1
1 162 . 4 1 1 A 13 13 ARG N N 13 122.104 121.673 0.431 1
1 164 . 4 1 1 A 14 14 LEU H H 14 8.308 8.326 -0.018 1
1 165 . 4 1 1 A 14 14 LEU HA H 14 4.219 4.384 -0.165 1
1 175 . 4 1 1 A 14 14 LEU C C 14 178.590 178.887 -0.297 1
1 176 . 4 1 1 A 14 14 LEU CA C 14 57.904 58.249 -0.345 1
1 177 . 4 1 1 A 14 14 LEU CB C 14 42.627 42.235 0.392 1
1 181 . 4 1 1 A 14 14 LEU N N 14 119.549 121.159 -1.610 1
1 182 . 4 1 1 A 15 15 GLU H H 15 7.824 8.420 -0.596 1
1 183 . 4 1 1 A 15 15 GLU HA H 15 3.998 3.956 0.042 1
1 188 . 4 1 1 A 15 15 GLU C C 15 177.805 179.042 -1.237 1
1 189 . 4 1 1 A 15 15 GLU CA C 15 58.219 59.516 -1.297 1
1 190 . 4 1 1 A 15 15 GLU CB C 15 29.865 29.927 -0.062 1
1 192 . 4 1 1 A 15 15 GLU N N 15 116.921 117.740 -0.819 1
1 193 . 4 1 1 A 16 16 TRP H H 16 7.905 8.305 -0.400 1
1 194 . 4 1 1 A 16 16 TRP HA H 16 4.895 4.618 0.277 1
1 203 . 4 1 1 A 16 16 TRP C C 16 176.778 178.992 -2.214 1
1 204 . 4 1 1 A 16 16 TRP CA C 16 57.033 59.401 -2.368 1
1 205 . 4 1 1 A 16 16 TRP CB C 16 30.513 30.292 0.221 1
1 211 . 4 1 1 A 16 16 TRP N N 16 116.589 120.424 -3.835 1
1 213 . 4 1 1 A 17 17 GLY H H 17 8.007 8.137 -0.130 1
1 214 . 4 1 1 A 17 17 GLY HA2 H 17 3.979 3.942 0.037 1
1 215 . 4 1 1 A 17 17 GLY HA3 H 17 4.200 3.954 0.246 1
1 216 . 4 1 1 A 17 17 GLY C C 17 173.650 173.961 -0.311 1
1 217 . 4 1 1 A 17 17 GLY CA C 17 44.786 45.335 -0.549 1
1 218 . 4 1 1 A 17 17 GLY N N 17 108.398 107.747 0.651 1
1 219 . 4 1 1 A 18 18 GLU H H 18 8.483 8.162 0.321 1
1 220 . 4 1 1 A 18 18 GLU HA H 18 4.534 4.853 -0.319 1
1 225 . 4 1 1 A 18 18 GLU C C 18 176.535 175.068 1.467 1
1 226 . 4 1 1 A 18 18 GLU CA C 18 54.615 53.920 0.695 1
1 227 . 4 1 1 A 18 18 GLU CB C 18 29.654 32.401 -2.747 1
1 229 . 4 1 1 A 18 18 GLU N N 18 121.984 121.619 0.365 1
1 230 . 4 1 1 A 19 19 PRO HA H 19 4.549 4.061 0.488 1
1 237 . 4 1 1 A 19 19 PRO C C 19 176.737 176.721 0.016 1
1 238 . 4 1 1 A 19 19 PRO CA C 19 63.685 63.266 0.419 1
1 239 . 4 1 1 A 19 19 PRO CB C 19 30.940 30.854 0.086 1
1 242 . 4 1 1 A 20 20 ALA H H 20 8.386 8.214 0.172 1
1 243 . 4 1 1 A 20 20 ALA HA H 20 4.536 4.329 0.207 1
1 247 . 4 1 1 A 20 20 ALA C C 20 174.844 177.054 -2.210 1
1 248 . 4 1 1 A 20 20 ALA CA C 20 51.312 52.894 -1.582 1
1 249 . 4 1 1 A 20 20 ALA CB C 20 17.883 19.003 -1.120 1
1 250 . 4 1 1 A 20 20 ALA N N 20 126.537 122.337 4.200 1
1 251 . 4 1 1 A 21 21 PHE H H 21 7.244 7.173 0.071 1
1 252 . 4 1 1 A 21 21 PHE HA H 21 5.485 5.230 0.255 1
1 260 . 4 1 1 A 21 21 PHE C C 21 173.639 174.358 -0.719 1
1 261 . 4 1 1 A 21 21 PHE CA C 21 55.312 55.219 0.093 1
1 262 . 4 1 1 A 21 21 PHE CB C 21 41.581 42.121 -0.540 1
1 268 . 4 1 1 A 21 21 PHE N N 21 115.447 114.937 0.510 1
1 269 . 4 1 1 A 22 22 THR H H 22 9.203 9.292 -0.089 1
1 270 . 4 1 1 A 22 22 THR HA H 22 4.583 4.917 -0.334 1
1 275 . 4 1 1 A 22 22 THR C C 22 171.987 173.877 -1.890 1
1 276 . 4 1 1 A 22 22 THR CA C 22 62.368 61.690 0.678 1
1 277 . 4 1 1 A 22 22 THR CB C 22 72.961 70.157 2.804 1
1 279 . 4 1 1 A 22 22 THR N N 22 119.035 115.085 3.950 1
1 280 . 4 1 1 A 23 23 ILE H H 23 9.318 9.291 0.027 1
1 281 . 4 1 1 A 23 23 ILE HA H 23 5.172 5.159 0.013 1
1 291 . 4 1 1 A 23 23 ILE C C 23 173.969 175.531 -1.562 1
1 292 . 4 1 1 A 23 23 ILE CA C 23 59.958 60.854 -0.896 1
1 293 . 4 1 1 A 23 23 ILE CB C 23 40.273 38.389 1.884 1
1 297 . 4 1 1 A 23 23 ILE N N 23 127.452 129.187 -1.735 1
1 298 . 4 1 1 A 24 24 LEU H H 24 9.522 9.586 -0.064 1
1 299 . 4 1 1 A 24 24 LEU HA H 24 4.871 5.039 -0.168 1
1 309 . 4 1 1 A 24 24 LEU C C 24 172.823 174.944 -2.121 1
1 310 . 4 1 1 A 24 24 LEU CA C 24 53.100 53.154 -0.054 1
1 311 . 4 1 1 A 24 24 LEU CB C 24 44.522 43.634 0.888 1
1 315 . 4 1 1 A 24 24 LEU N N 24 127.148 129.052 -1.904 1
1 316 . 4 1 1 A 25 25 ASP H H 25 8.325 8.676 -0.351 1
1 317 . 4 1 1 A 25 25 ASP HA H 25 4.112 4.282 -0.170 1
1 320 . 4 1 1 A 25 25 ASP C C 25 177.457 176.828 0.629 1
1 321 . 4 1 1 A 25 25 ASP CA C 25 51.097 52.760 -1.663 1
1 322 . 4 1 1 A 25 25 ASP CB C 25 43.056 40.786 2.270 1
1 323 . 4 1 1 A 25 25 ASP N N 25 122.856 123.983 -1.127 1
1 324 . 4 1 1 A 26 26 VAL H H 26 7.924 7.839 0.085 1
1 325 . 4 1 1 A 26 26 VAL HA H 26 4.964 4.480 0.484 1
1 333 . 4 1 1 A 26 26 VAL C C 26 176.585 176.868 -0.283 1
1 334 . 4 1 1 A 26 26 VAL CA C 26 59.554 61.506 -1.952 1
1 335 . 4 1 1 A 26 26 VAL CB C 26 30.002 31.845 -1.843 1
1 338 . 4 1 1 A 26 26 VAL N N 26 117.391 120.159 -2.768 1
1 339 . 4 1 1 A 27 27 ARG H H 27 7.773 7.310 0.463 1
1 340 . 4 1 1 A 27 27 ARG HA H 27 4.418 4.708 -0.290 1
1 352 . 4 1 1 A 27 27 ARG C C 27 173.931 176.011 -2.080 1
1 353 . 4 1 1 A 27 27 ARG CA C 27 55.487 58.482 -2.995 1
1 354 . 4 1 1 A 27 27 ARG CB C 27 30.337 30.737 -0.400 1
1 357 . 4 1 1 A 27 27 ARG N N 27 121.126 120.626 0.500 1
1 361 . 4 1 1 A 28 28 ASP H H 28 7.792 7.759 0.033 1
1 362 . 4 1 1 A 28 28 ASP HA H 28 4.431 4.790 -0.359 1
1 365 . 4 1 1 A 28 28 ASP C C 28 176.402 175.899 0.503 1
1 366 . 4 1 1 A 28 28 ASP CA C 28 54.427 53.847 0.580 1
1 367 . 4 1 1 A 28 28 ASP CB C 28 41.498 44.227 -2.729 1
1 368 . 4 1 1 A 28 28 ASP N N 28 115.368 114.809 0.559 1
1 369 . 4 1 1 A 29 29 ARG H H 29 8.781 8.715 0.066 1
1 370 . 4 1 1 A 29 29 ARG HA H 29 3.853 3.913 -0.060 1
1 378 . 4 1 1 A 29 29 ARG C C 29 177.811 177.362 0.449 1
1 379 . 4 1 1 A 29 29 ARG CA C 29 58.920 59.903 -0.983 1
1 380 . 4 1 1 A 29 29 ARG CB C 29 29.762 30.000 -0.238 1
1 383 . 4 1 1 A 29 29 ARG N N 29 121.538 125.658 -4.120 1
1 385 . 4 1 1 A 30 30 SER H H 30 8.478 7.832 0.646 1
1 386 . 4 1 1 A 30 30 SER HA H 30 4.190 4.279 -0.089 1
1 389 . 4 1 1 A 30 30 SER C C 30 176.814 177.509 -0.695 1
1 390 . 4 1 1 A 30 30 SER CA C 30 61.929 61.521 0.408 1
1 391 . 4 1 1 A 30 30 SER CB C 30 62.051 62.843 -0.792 1
1 392 . 4 1 1 A 30 30 SER N N 30 113.937 114.420 -0.483 1
1 393 . 4 1 1 A 31 31 THR H H 31 7.724 7.685 0.039 1
1 394 . 4 1 1 A 31 31 THR HA H 31 4.096 4.006 0.090 1
1 399 . 4 1 1 A 31 31 THR C C 31 176.940 176.276 0.664 1
1 400 . 4 1 1 A 31 31 THR CA C 31 66.078 66.637 -0.559 1
1 401 . 4 1 1 A 31 31 THR CB C 31 67.583 68.784 -1.201 1
1 403 . 4 1 1 A 31 31 THR N N 31 120.025 117.197 2.828 1
1 404 . 4 1 1 A 32 32 TYR H H 32 8.186 8.571 -0.385 1
1 405 . 4 1 1 A 32 32 TYR HA H 32 4.009 4.135 -0.126 1
1 410 . 4 1 1 A 32 32 TYR C C 32 180.166 177.703 2.463 1
1 411 . 4 1 1 A 32 32 TYR CA C 32 61.797 62.092 -0.295 1
1 412 . 4 1 1 A 32 32 TYR CB C 32 37.300 38.562 -1.262 1
1 415 . 4 1 1 A 32 32 TYR N N 32 123.636 122.226 1.410 1
1 416 . 4 1 1 A 33 33 ASN H H 33 8.838 8.048 0.790 1
1 417 . 4 1 1 A 33 33 ASN HA H 33 4.435 4.307 0.128 1
1 422 . 4 1 1 A 33 33 ASN C C 33 176.730 178.119 -1.389 1
1 423 . 4 1 1 A 33 33 ASN CA C 33 55.167 56.340 -1.173 1
1 424 . 4 1 1 A 33 33 ASN CB C 33 37.308 37.665 -0.357 1
1 425 . 4 1 1 A 33 33 ASN N N 33 122.000 118.281 3.719 1
1 427 . 4 1 1 A 34 34 ASP H H 34 7.510 8.253 -0.743 1
1 428 . 4 1 1 A 34 34 ASP HA H 34 4.587 4.419 0.168 1
1 431 . 4 1 1 A 34 34 ASP C C 34 177.045 176.667 0.378 1
1 432 . 4 1 1 A 34 34 ASP CA C 34 56.487 56.865 -0.378 1
1 433 . 4 1 1 A 34 34 ASP CB C 34 40.822 41.467 -0.645 1
1 434 . 4 1 1 A 34 34 ASP N N 34 119.832 117.442 2.390 1
1 435 . 4 1 1 A 35 35 GLY H H 35 7.412 7.435 -0.023 1
1 436 . 4 1 1 A 35 35 GLY HA2 H 35 3.997 4.019 -0.022 1
1 437 . 4 1 1 A 35 35 GLY HA3 H 35 3.997 4.071 -0.074 1
1 438 . 4 1 1 A 35 35 GLY C C 35 171.246 171.797 -0.551 1
1 439 . 4 1 1 A 35 35 GLY CA C 35 46.441 45.780 0.661 1
1 440 . 4 1 1 A 35 35 GLY N N 35 106.611 102.691 3.920 1
1 441 . 4 1 1 A 36 36 HIS H H 36 8.441 8.847 -0.406 1
1 442 . 4 1 1 A 36 36 HIS HA H 36 4.782 5.297 -0.515 1
1 447 . 4 1 1 A 36 36 HIS C C 36 172.800 173.462 -0.662 1
1 448 . 4 1 1 A 36 36 HIS CA C 36 53.425 54.359 -0.934 1
1 449 . 4 1 1 A 36 36 HIS CB C 36 31.978 31.750 0.228 1
1 452 . 4 1 1 A 36 36 HIS N N 36 117.929 117.380 0.549 1
1 455 . 4 1 1 A 37 37 ILE H H 37 8.087 8.843 -0.756 1
1 456 . 4 1 1 A 37 37 ILE HA H 37 3.223 3.531 -0.308 1
1 466 . 4 1 1 A 37 37 ILE C C 37 175.423 176.622 -1.199 1
1 467 . 4 1 1 A 37 37 ILE CA C 37 64.607 62.184 2.423 1
1 468 . 4 1 1 A 37 37 ILE CB C 37 37.269 37.283 -0.014 1
1 472 . 4 1 1 A 37 37 ILE N N 37 120.831 121.658 -0.827 1
1 473 . 4 1 1 A 38 38 MET H H 38 7.625 8.409 -0.784 1
1 474 . 4 1 1 A 38 38 MET HA H 38 3.953 4.659 -0.706 1
1 482 . 4 1 1 A 38 38 MET C C 38 174.632 176.844 -2.212 1
1 483 . 4 1 1 A 38 38 MET CA C 38 57.865 56.878 0.987 1
1 484 . 4 1 1 A 38 38 MET CB C 38 32.882 32.177 0.705 1
1 487 . 4 1 1 A 38 38 MET N N 38 128.683 126.268 2.415 1
1 488 . 4 1 1 A 39 39 GLY H H 39 8.795 8.592 0.203 1
1 489 . 4 1 1 A 39 39 GLY HA2 H 39 3.727 4.029 -0.302 1
1 490 . 4 1 1 A 39 39 GLY HA3 H 39 4.345 4.059 0.286 1
1 491 . 4 1 1 A 39 39 GLY C C 39 175.442 174.788 0.654 1
1 492 . 4 1 1 A 39 39 GLY CA C 39 44.964 45.165 -0.201 1
1 493 . 4 1 1 A 39 39 GLY N N 39 113.814 114.281 -0.467 1
1 494 . 4 1 1 A 40 40 ALA H H 40 8.566 8.132 0.434 1
1 495 . 4 1 1 A 40 40 ALA HA H 40 4.656 4.583 0.073 1
1 499 . 4 1 1 A 40 40 ALA C C 40 177.459 177.063 0.396 1
1 500 . 4 1 1 A 40 40 ALA CA C 40 52.139 52.432 -0.293 1
1 501 . 4 1 1 A 40 40 ALA CB C 40 20.657 20.345 0.312 1
1 502 . 4 1 1 A 40 40 ALA N N 40 122.444 124.188 -1.744 1
1 503 . 4 1 1 A 41 41 MET H H 41 9.268 8.989 0.279 1
1 504 . 4 1 1 A 41 41 MET HA H 41 4.478 4.808 -0.330 1
1 512 . 4 1 1 A 41 41 MET C C 41 174.328 175.304 -0.976 1
1 513 . 4 1 1 A 41 41 MET CA C 41 54.330 53.953 0.377 1
1 514 . 4 1 1 A 41 41 MET CB C 41 34.473 33.317 1.156 1
1 517 . 4 1 1 A 41 41 MET N N 41 123.908 120.244 3.664 1
1 518 . 4 1 1 A 42 42 ALA H H 42 8.162 8.270 -0.108 1
1 519 . 4 1 1 A 42 42 ALA HA H 42 3.870 3.500 0.370 1
1 523 . 4 1 1 A 42 42 ALA C C 42 177.157 176.312 0.845 1
1 524 . 4 1 1 A 42 42 ALA CA C 42 51.888 51.221 0.667 1
1 525 . 4 1 1 A 42 42 ALA CB C 42 16.282 17.269 -0.987 1
1 526 . 4 1 1 A 42 42 ALA N N 42 126.936 125.453 1.483 1
1 527 . 4 1 1 A 43 43 MET H H 43 8.109 7.778 0.331 1
1 528 . 4 1 1 A 43 43 MET HA H 43 4.386 4.925 -0.539 1
1 536 . 4 1 1 A 43 43 MET C C 43 168.952 173.513 -4.561 1
1 537 . 4 1 1 A 43 43 MET CA C 43 53.535 52.481 1.054 1
1 538 . 4 1 1 A 43 43 MET CB C 43 34.346 32.929 1.417 1
1 541 . 4 1 1 A 43 43 MET N N 43 125.282 123.258 2.024 1
1 542 . 4 1 1 A 44 44 PRO HA H 44 3.949 4.600 -0.651 1
1 549 . 4 1 1 A 44 44 PRO C C 44 179.070 178.010 1.060 1
1 550 . 4 1 1 A 44 44 PRO CA C 44 62.524 62.788 -0.264 1
1 551 . 4 1 1 A 44 44 PRO CB C 44 32.611 32.292 0.319 1
1 554 . 4 1 1 A 45 45 ILE H H 45 7.764 8.560 -0.796 1
1 555 . 4 1 1 A 45 45 ILE HA H 45 3.851 3.894 -0.043 1
1 565 . 4 1 1 A 45 45 ILE C C 45 175.827 177.501 -1.674 1
1 566 . 4 1 1 A 45 45 ILE CA C 45 64.676 63.995 0.681 1
1 567 . 4 1 1 A 45 45 ILE CB C 45 38.991 37.709 1.282 1
1 571 . 4 1 1 A 45 45 ILE N N 45 121.655 125.561 -3.906 1
1 572 . 4 1 1 A 46 46 GLU H H 46 9.102 8.916 0.186 1
1 573 . 4 1 1 A 46 46 GLU HA H 46 4.056 4.032 0.024 1
1 578 . 4 1 1 A 46 46 GLU C C 46 176.499 177.579 -1.080 1
1 579 . 4 1 1 A 46 46 GLU CA C 46 59.349 58.901 0.448 1
1 580 . 4 1 1 A 46 46 GLU CB C 46 28.456 28.892 -0.436 1
1 582 . 4 1 1 A 46 46 GLU N N 46 121.004 119.423 1.581 1
1 583 . 4 1 1 A 47 47 ASP H H 47 7.729 8.008 -0.279 1
1 584 . 4 1 1 A 47 47 ASP HA H 47 5.059 4.535 0.524 1
1 587 . 4 1 1 A 47 47 ASP C C 47 175.683 177.578 -1.895 1
1 588 . 4 1 1 A 47 47 ASP CA C 47 53.266 54.862 -1.596 1
1 589 . 4 1 1 A 47 47 ASP CB C 47 42.048 40.983 1.065 1
1 590 . 4 1 1 A 47 47 ASP N N 47 117.171 120.002 -2.831 1
1 591 . 4 1 1 A 48 48 LEU H H 48 7.193 7.761 -0.568 1
1 592 . 4 1 1 A 48 48 LEU HA H 48 3.690 3.900 -0.210 1
1 602 . 4 1 1 A 48 48 LEU C C 48 176.829 178.489 -1.660 1
1 603 . 4 1 1 A 48 48 LEU CA C 48 58.905 58.623 0.282 1
1 604 . 4 1 1 A 48 48 LEU CB C 48 43.334 41.864 1.470 1
1 608 . 4 1 1 A 48 48 LEU N N 48 121.314 120.918 0.396 1
1 609 . 4 1 1 A 49 49 VAL H H 49 8.507 7.975 0.532 1
1 610 . 4 1 1 A 49 49 VAL HA H 49 3.290 3.516 -0.226 1
1 618 . 4 1 1 A 49 49 VAL C C 49 178.915 177.281 1.634 1
1 619 . 4 1 1 A 49 49 VAL CA C 49 67.886 66.998 0.888 1
1 620 . 4 1 1 A 49 49 VAL CB C 49 30.881 31.706 -0.825 1
1 623 . 4 1 1 A 49 49 VAL N N 49 116.698 119.461 -2.763 1
1 624 . 4 1 1 A 50 50 ASP H H 50 8.474 8.265 0.209 1
1 625 . 4 1 1 A 50 50 ASP HA H 50 4.396 4.351 0.045 1
1 628 . 4 1 1 A 50 50 ASP C C 50 178.890 179.019 -0.129 1
1 629 . 4 1 1 A 50 50 ASP CA C 50 57.477 57.492 -0.015 1
1 630 . 4 1 1 A 50 50 ASP CB C 50 40.945 40.148 0.797 1
1 631 . 4 1 1 A 50 50 ASP N N 50 121.526 119.635 1.891 1
1 632 . 4 1 1 A 51 51 ARG H H 51 8.334 8.186 0.148 1
1 633 . 4 1 1 A 51 51 ARG HA H 51 4.079 3.981 0.098 1
1 641 . 4 1 1 A 51 51 ARG C C 51 179.634 178.729 0.905 1
1 642 . 4 1 1 A 51 51 ARG CA C 51 58.378 59.445 -1.067 1
1 643 . 4 1 1 A 51 51 ARG CB C 51 29.692 30.271 -0.579 1
1 646 . 4 1 1 A 51 51 ARG N N 51 118.666 119.353 -0.687 1
1 648 . 4 1 1 A 52 52 ALA H H 52 9.250 8.165 1.085 1
1 649 . 4 1 1 A 52 52 ALA HA H 52 3.752 4.133 -0.381 1
1 653 . 4 1 1 A 52 52 ALA C C 52 179.710 179.499 0.211 1
1 654 . 4 1 1 A 52 52 ALA CA C 52 55.830 55.130 0.700 1
1 655 . 4 1 1 A 52 52 ALA CB C 52 18.164 18.300 -0.136 1
1 656 . 4 1 1 A 52 52 ALA N N 52 124.004 121.705 2.299 1
1 657 . 4 1 1 A 53 53 SER H H 53 8.392 8.372 0.020 1
1 658 . 4 1 1 A 53 53 SER HA H 53 4.457 4.245 0.212 1
1 661 . 4 1 1 A 53 53 SER C C 53 175.807 176.772 -0.965 1
1 662 . 4 1 1 A 53 53 SER CA C 53 62.214 61.348 0.866 1
1 663 . 4 1 1 A 53 53 SER CB C 53 62.805 63.427 -0.622 1
1 664 . 4 1 1 A 53 53 SER N N 53 111.154 113.381 -2.227 1
1 665 . 4 1 1 A 54 54 SER H H 54 7.570 7.765 -0.195 1
1 666 . 4 1 1 A 54 54 SER HA H 54 4.512 4.396 0.116 1
1 669 . 4 1 1 A 54 54 SER C C 54 175.210 175.175 0.035 1
1 670 . 4 1 1 A 54 54 SER CA C 54 59.567 58.854 0.713 1
1 671 . 4 1 1 A 54 54 SER CB C 54 63.902 63.315 0.587 1
1 672 . 4 1 1 A 54 54 SER N N 54 112.745 115.069 -2.324 1
1 673 . 4 1 1 A 55 55 SER H H 55 7.501 8.091 -0.590 1
1 674 . 4 1 1 A 55 55 SER HA H 55 4.744 4.610 0.134 1
1 677 . 4 1 1 A 55 55 SER C C 55 173.106 174.312 -1.206 1
1 678 . 4 1 1 A 55 55 SER CA C 55 59.905 59.693 0.212 1
1 679 . 4 1 1 A 55 55 SER CB C 55 65.881 65.590 0.291 1
1 680 . 4 1 1 A 55 55 SER N N 55 113.238 115.963 -2.725 1
1 681 . 4 1 1 A 56 56 LEU H H 56 8.320 8.338 -0.018 1
1 682 . 4 1 1 A 56 56 LEU HA H 56 4.823 4.401 0.422 1
1 692 . 4 1 1 A 56 56 LEU C C 56 175.441 177.492 -2.051 1
1 693 . 4 1 1 A 56 56 LEU CA C 56 53.476 54.582 -1.106 1
1 694 . 4 1 1 A 56 56 LEU CB C 56 44.655 42.534 2.121 1
1 698 . 4 1 1 A 56 56 LEU N N 56 122.043 119.599 2.444 1
1 699 . 4 1 1 A 57 57 GLU H H 57 8.510 9.000 -0.490 1
1 700 . 4 1 1 A 57 57 GLU HA H 57 4.334 4.513 -0.179 1
1 705 . 4 1 1 A 57 57 GLU C C 57 177.869 177.723 0.146 1
1 706 . 4 1 1 A 57 57 GLU CA C 57 55.911 55.333 0.578 1
1 707 . 4 1 1 A 57 57 GLU CB C 57 30.193 31.122 -0.929 1
1 709 . 4 1 1 A 57 57 GLU N N 57 121.479 121.057 0.422 1
1 710 . 4 1 1 A 58 58 LYS H H 58 8.513 8.672 -0.159 1
1 711 . 4 1 1 A 58 58 LYS HA H 58 3.811 3.912 -0.101 1
1 720 . 4 1 1 A 58 58 LYS C C 58 178.345 177.850 0.495 1
1 721 . 4 1 1 A 58 58 LYS CA C 58 58.526 58.378 0.148 1
1 722 . 4 1 1 A 58 58 LYS CB C 58 31.265 32.560 -1.295 1
1 726 . 4 1 1 A 58 58 LYS N N 58 120.689 123.169 -2.480 1
1 727 . 4 1 1 A 59 59 SER H H 59 7.912 7.659 0.253 1
1 728 . 4 1 1 A 59 59 SER HA H 59 4.437 4.567 -0.130 1
1 731 . 4 1 1 A 59 59 SER C C 59 174.216 174.276 -0.060 1
1 732 . 4 1 1 A 59 59 SER CA C 59 57.862 58.466 -0.604 1
1 733 . 4 1 1 A 59 59 SER CB C 59 63.682 63.585 0.097 1
1 734 . 4 1 1 A 59 59 SER N N 59 111.530 113.167 -1.637 1
1 735 . 4 1 1 A 60 60 ARG H H 60 7.477 7.711 -0.234 1
1 736 . 4 1 1 A 60 60 ARG HA H 60 4.199 4.150 0.049 1
1 744 . 4 1 1 A 60 60 ARG C C 60 174.880 175.771 -0.891 1
1 745 . 4 1 1 A 60 60 ARG CA C 60 55.828 56.231 -0.403 1
1 746 . 4 1 1 A 60 60 ARG CB C 60 31.971 30.503 1.468 1
1 749 . 4 1 1 A 60 60 ARG N N 60 125.535 123.607 1.928 1
1 751 . 4 1 1 A 61 61 ASP H H 61 8.540 8.623 -0.083 1
1 752 . 4 1 1 A 61 61 ASP HA H 61 4.903 4.936 -0.033 1
1 755 . 4 1 1 A 61 61 ASP C C 61 175.569 175.599 -0.030 1
1 756 . 4 1 1 A 61 61 ASP CA C 61 55.438 54.359 1.079 1
1 757 . 4 1 1 A 61 61 ASP CB C 61 40.847 40.605 0.242 1
1 758 . 4 1 1 A 61 61 ASP N N 61 126.761 125.289 1.472 1
1 759 . 4 1 1 A 62 62 ILE H H 62 8.630 9.046 -0.416 1
1 760 . 4 1 1 A 62 62 ILE HA H 62 5.038 5.261 -0.223 1
1 770 . 4 1 1 A 62 62 ILE C C 62 174.444 174.567 -0.123 1
1 771 . 4 1 1 A 62 62 ILE CA C 62 59.799 60.633 -0.834 1
1 772 . 4 1 1 A 62 62 ILE CB C 62 42.130 39.426 2.704 1
1 776 . 4 1 1 A 62 62 ILE N N 62 125.212 124.835 0.377 1
1 777 . 4 1 1 A 63 63 TYR H H 63 9.026 9.544 -0.518 1
1 778 . 4 1 1 A 63 63 TYR HA H 63 5.230 5.389 -0.159 1
1 785 . 4 1 1 A 63 63 TYR C C 63 175.088 174.675 0.413 1
1 786 . 4 1 1 A 63 63 TYR CA C 63 56.143 56.411 -0.268 1
1 787 . 4 1 1 A 63 63 TYR CB C 63 41.302 41.167 0.135 1
1 792 . 4 1 1 A 63 63 TYR N N 63 125.467 127.228 -1.761 1
1 793 . 4 1 1 A 64 64 VAL H H 64 8.523 8.999 -0.476 1
1 794 . 4 1 1 A 64 64 VAL HA H 64 5.106 4.934 0.172 1
1 802 . 4 1 1 A 64 64 VAL C C 64 174.072 175.099 -1.027 1
1 803 . 4 1 1 A 64 64 VAL CA C 64 60.302 61.467 -1.165 1
1 804 . 4 1 1 A 64 64 VAL CB C 64 35.121 33.690 1.431 1
1 807 . 4 1 1 A 64 64 VAL N N 64 121.014 123.259 -2.245 1
1 808 . 4 1 1 A 65 65 TYR H H 65 8.832 8.765 0.067 1
1 809 . 4 1 1 A 65 65 TYR HA H 65 5.289 5.740 -0.451 1
1 816 . 4 1 1 A 65 65 TYR C C 65 172.116 173.510 -1.394 1
1 817 . 4 1 1 A 65 65 TYR CA C 65 56.777 55.154 1.623 1
1 818 . 4 1 1 A 65 65 TYR CB C 65 42.528 41.953 0.575 1
1 819 . 4 1 1 A 65 65 TYR N N 65 120.331 122.890 -2.559 1
1 820 . 4 1 1 A 66 66 GLY H H 66 8.278 9.043 -0.765 1
1 821 . 4 1 1 A 66 66 GLY HA2 H 66 3.449 4.109 -0.660 1
1 822 . 4 1 1 A 66 66 GLY HA3 H 66 4.408 4.208 0.200 1
1 823 . 4 1 1 A 66 66 GLY C C 66 173.636 174.680 -1.044 1
1 824 . 4 1 1 A 66 66 GLY CA C 66 43.793 43.786 0.007 1
1 825 . 4 1 1 A 66 66 GLY N N 66 108.458 109.204 -0.746 1
1 826 . 4 1 1 A 67 67 ALA H H 67 9.485 8.858 0.627 1
1 827 . 4 1 1 A 67 67 ALA HA H 67 4.331 4.291 0.040 1
1 831 . 4 1 1 A 67 67 ALA C C 67 176.363 177.158 -0.795 1
1 832 . 4 1 1 A 67 67 ALA CA C 67 52.848 52.738 0.110 1
1 833 . 4 1 1 A 67 67 ALA CB C 67 18.178 19.726 -1.548 1
1 834 . 4 1 1 A 67 67 ALA N N 67 126.325 121.043 5.282 1
1 835 . 4 1 1 A 68 68 GLY H H 68 7.553 7.593 -0.040 1
1 836 . 4 1 1 A 68 68 GLY HA2 H 68 4.270 4.017 0.253 1
1 837 . 4 1 1 A 68 68 GLY HA3 H 68 4.209 4.019 0.190 1
1 838 . 4 1 1 A 68 68 GLY C C 68 173.695 174.409 -0.714 1
1 839 . 4 1 1 A 68 68 GLY CA C 68 44.112 45.420 -1.308 1
1 840 . 4 1 1 A 68 68 GLY N N 68 106.057 105.383 0.674 1
1 841 . 4 1 1 A 69 69 ASP H H 69 8.904 9.341 -0.437 1
1 842 . 4 1 1 A 69 69 ASP HA H 69 4.408 4.317 0.091 1
1 845 . 4 1 1 A 69 69 ASP C C 69 178.531 178.325 0.206 1
1 846 . 4 1 1 A 69 69 ASP CA C 69 57.592 57.421 0.171 1
1 847 . 4 1 1 A 69 69 ASP CB C 69 40.198 40.149 0.049 1
1 848 . 4 1 1 A 69 69 ASP N N 69 121.078 121.631 -0.553 1
1 849 . 4 1 1 A 70 70 GLU H H 70 8.905 8.295 0.610 1
1 850 . 4 1 1 A 70 70 GLU HA H 70 4.110 3.978 0.132 1
1 855 . 4 1 1 A 70 70 GLU C C 70 178.745 178.739 0.006 1
1 856 . 4 1 1 A 70 70 GLU CA C 70 59.956 59.803 0.153 1
1 857 . 4 1 1 A 70 70 GLU CB C 70 28.534 29.168 -0.634 1
1 859 . 4 1 1 A 70 70 GLU N N 70 120.998 120.288 0.710 1
1 860 . 4 1 1 A 71 71 GLN H H 71 8.453 7.778 0.675 1
1 861 . 4 1 1 A 71 71 GLN HA H 71 4.106 4.068 0.038 1
1 868 . 4 1 1 A 71 71 GLN C C 71 178.164 178.314 -0.150 1
1 869 . 4 1 1 A 71 71 GLN CA C 71 59.350 58.496 0.854 1
1 870 . 4 1 1 A 71 71 GLN CB C 71 29.682 28.571 1.111 1
1 872 . 4 1 1 A 71 71 GLN N N 71 121.273 118.762 2.511 1
1 874 . 4 1 1 A 72 72 THR H H 72 8.267 8.312 -0.045 1
1 875 . 4 1 1 A 72 72 THR HA H 72 3.524 3.856 -0.332 1
1 880 . 4 1 1 A 72 72 THR C C 72 175.546 176.813 -1.267 1
1 881 . 4 1 1 A 72 72 THR CA C 72 67.395 66.548 0.847 1
1 882 . 4 1 1 A 72 72 THR CB C 72 68.145 68.644 -0.499 1
1 884 . 4 1 1 A 72 72 THR N N 72 115.641 116.691 -1.050 1
1 885 . 4 1 1 A 73 73 SER H H 73 8.265 8.251 0.014 1
1 886 . 4 1 1 A 73 73 SER HA H 73 4.029 4.081 -0.052 1
1 889 . 4 1 1 A 73 73 SER C C 73 176.825 176.052 0.773 1
1 890 . 4 1 1 A 73 73 SER CA C 73 61.746 62.125 -0.379 1
1 891 . 4 1 1 A 73 73 SER CB C 73 62.746 62.990 -0.244 1
1 892 . 4 1 1 A 73 73 SER N N 73 115.814 116.495 -0.681 1
1 893 . 4 1 1 A 74 74 GLN H H 74 8.119 7.599 0.520 1
1 894 . 4 1 1 A 74 74 GLN HA H 74 4.090 4.038 0.052 1
1 901 . 4 1 1 A 74 74 GLN C C 74 178.630 177.764 0.866 1
1 902 . 4 1 1 A 74 74 GLN CA C 74 58.903 58.437 0.466 1
1 903 . 4 1 1 A 74 74 GLN CB C 74 27.943 29.037 -1.094 1
1 905 . 4 1 1 A 74 74 GLN N N 74 121.446 120.901 0.545 1
1 907 . 4 1 1 A 75 75 ALA H H 75 8.210 7.928 0.282 1
1 908 . 4 1 1 A 75 75 ALA HA H 75 3.879 4.037 -0.158 1
1 912 . 4 1 1 A 75 75 ALA C C 75 178.843 179.920 -1.077 1
1 913 . 4 1 1 A 75 75 ALA CA C 75 54.959 55.224 -0.265 1
1 914 . 4 1 1 A 75 75 ALA CB C 75 20.226 18.195 2.031 1
1 915 . 4 1 1 A 75 75 ALA N N 75 121.007 121.987 -0.980 1
1 916 . 4 1 1 A 76 76 VAL H H 76 8.257 8.030 0.227 1
1 917 . 4 1 1 A 76 76 VAL HA H 76 3.472 3.442 0.030 1
1 925 . 4 1 1 A 76 76 VAL C C 76 177.639 178.143 -0.504 1
1 926 . 4 1 1 A 76 76 VAL CA C 76 67.080 66.807 0.273 1
1 927 . 4 1 1 A 76 76 VAL CB C 76 30.945 31.404 -0.459 1
1 930 . 4 1 1 A 76 76 VAL N N 76 116.281 119.126 -2.845 1
1 931 . 4 1 1 A 77 77 ASN H H 77 8.190 7.918 0.272 1
1 932 . 4 1 1 A 77 77 ASN HA H 77 4.430 4.383 0.047 1
1 937 . 4 1 1 A 77 77 ASN C C 77 178.638 177.905 0.733 1
1 938 . 4 1 1 A 77 77 ASN CA C 77 56.666 57.056 -0.390 1
1 939 . 4 1 1 A 77 77 ASN CB C 77 37.950 38.929 -0.979 1
1 940 . 4 1 1 A 77 77 ASN N N 77 118.786 118.956 -0.170 1
1 942 . 4 1 1 A 78 78 LEU H H 78 8.222 8.075 0.147 1
1 943 . 4 1 1 A 78 78 LEU HA H 78 4.045 3.996 0.049 1
1 953 . 4 1 1 A 78 78 LEU C C 78 180.246 179.370 0.876 1
1 954 . 4 1 1 A 78 78 LEU CA C 78 57.926 58.295 -0.369 1
1 955 . 4 1 1 A 78 78 LEU CB C 78 41.892 41.626 0.266 1
1 959 . 4 1 1 A 78 78 LEU N N 78 121.759 119.934 1.825 1
1 960 . 4 1 1 A 79 79 LEU H H 79 7.887 8.171 -0.284 1
1 961 . 4 1 1 A 79 79 LEU HA H 79 4.051 3.831 0.220 1
1 971 . 4 1 1 A 79 79 LEU C C 79 179.804 179.739 0.065 1
1 972 . 4 1 1 A 79 79 LEU CA C 79 57.788 58.197 -0.409 1
1 973 . 4 1 1 A 79 79 LEU CB C 79 41.616 41.369 0.247 1
1 977 . 4 1 1 A 79 79 LEU N N 79 118.127 118.914 -0.787 1
1 978 . 4 1 1 A 80 80 ARG H H 80 8.942 8.140 0.802 1
1 979 . 4 1 1 A 80 80 ARG HA H 80 4.516 4.282 0.234 1
1 987 . 4 1 1 A 80 80 ARG C C 80 181.546 178.516 3.030 1
1 988 . 4 1 1 A 80 80 ARG CA C 80 60.006 58.721 1.285 1
1 989 . 4 1 1 A 80 80 ARG CB C 80 29.510 29.770 -0.260 1
1 992 . 4 1 1 A 80 80 ARG N N 80 120.974 118.895 2.079 1
1 994 . 4 1 1 A 81 81 SER H H 81 8.394 8.283 0.111 1
1 995 . 4 1 1 A 81 81 SER HA H 81 4.307 4.116 0.191 1
1 998 . 4 1 1 A 81 81 SER C C 81 174.601 176.351 -1.750 1
1 999 . 4 1 1 A 81 81 SER CA C 81 61.570 61.442 0.128 1
1 1000 . 4 1 1 A 81 81 SER CB C 81 62.832 63.265 -0.433 1
1 1001 . 4 1 1 A 81 81 SER N N 81 116.329 115.312 1.017 1
1 1002 . 4 1 1 A 82 82 ALA H H 82 7.507 7.511 -0.004 1
1 1003 . 4 1 1 A 82 82 ALA HA H 82 4.546 4.413 0.133 1
1 1007 . 4 1 1 A 82 82 ALA C C 82 176.449 177.926 -1.477 1
1 1008 . 4 1 1 A 82 82 ALA CA C 82 51.759 52.096 -0.337 1
1 1009 . 4 1 1 A 82 82 ALA CB C 82 18.850 19.312 -0.462 1
1 1010 . 4 1 1 A 82 82 ALA N N 82 122.576 119.509 3.067 1
1 1011 . 4 1 1 A 83 83 GLY H H 83 7.678 7.996 -0.318 1
1 1012 . 4 1 1 A 83 83 GLY HA2 H 83 3.623 3.893 -0.270 1
1 1013 . 4 1 1 A 83 83 GLY HA3 H 83 4.217 3.968 0.249 1
1 1014 . 4 1 1 A 83 83 GLY C C 83 174.557 174.567 -0.010 1
1 1015 . 4 1 1 A 83 83 GLY CA C 83 44.741 45.101 -0.360 1
1 1016 . 4 1 1 A 83 83 GLY N N 83 104.117 106.916 -2.799 1
1 1017 . 4 1 1 A 84 84 PHE H H 84 7.923 7.731 0.192 1
1 1018 . 4 1 1 A 84 84 PHE HA H 84 4.254 4.421 -0.167 1
1 1026 . 4 1 1 A 84 84 PHE C C 84 176.479 176.152 0.327 1
1 1027 . 4 1 1 A 84 84 PHE CA C 84 60.127 59.367 0.760 1
1 1028 . 4 1 1 A 84 84 PHE CB C 84 36.999 38.990 -1.991 1
1 1034 . 4 1 1 A 84 84 PHE N N 84 119.861 119.818 0.043 1
1 1035 . 4 1 1 A 85 85 GLU H H 85 7.730 9.319 -1.589 1
1 1036 . 4 1 1 A 85 85 GLU HA H 85 3.965 4.311 -0.346 1
1 1041 . 4 1 1 A 85 85 GLU C C 85 176.966 177.075 -0.109 1
1 1042 . 4 1 1 A 85 85 GLU CA C 85 57.841 59.269 -1.428 1
1 1043 . 4 1 1 A 85 85 GLU CB C 85 32.054 30.361 1.693 1
1 1045 . 4 1 1 A 85 85 GLU N N 85 122.200 124.757 -2.557 1
1 1046 . 4 1 1 A 86 86 HIS H H 86 9.957 8.005 1.952 1
1 1047 . 4 1 1 A 86 86 HIS HA H 86 4.988 4.811 0.177 1
1 1052 . 4 1 1 A 86 86 HIS C C 86 171.400 174.282 -2.882 1
1 1053 . 4 1 1 A 86 86 HIS CA C 86 53.063 54.870 -1.807 1
1 1054 . 4 1 1 A 86 86 HIS CB C 86 29.823 28.474 1.349 1
1 1057 . 4 1 1 A 86 86 HIS N N 86 122.245 116.864 5.381 1
1 1060 . 4 1 1 A 87 87 VAL H H 87 8.233 8.938 -0.705 1
1 1061 . 4 1 1 A 87 87 VAL HA H 87 4.934 4.694 0.240 1
1 1069 . 4 1 1 A 87 87 VAL C C 87 175.510 175.054 0.456 1
1 1070 . 4 1 1 A 87 87 VAL CA C 87 59.972 60.932 -0.960 1
1 1071 . 4 1 1 A 87 87 VAL CB C 87 33.883 34.662 -0.779 1
1 1074 . 4 1 1 A 87 87 VAL N N 87 120.946 124.880 -3.934 1
1 1075 . 4 1 1 A 88 88 SER H H 88 8.968 9.016 -0.048 1
1 1076 . 4 1 1 A 88 88 SER HA H 88 4.869 5.059 -0.190 1
1 1079 . 4 1 1 A 88 88 SER C C 88 174.093 173.389 0.704 1
1 1080 . 4 1 1 A 88 88 SER CA C 88 55.935 56.457 -0.522 1
1 1081 . 4 1 1 A 88 88 SER CB C 88 66.077 66.010 0.067 1
1 1082 . 4 1 1 A 88 88 SER N N 88 121.913 120.320 1.593 1
1 1083 . 4 1 1 A 89 89 GLU H H 89 8.628 8.966 -0.338 1
1 1084 . 4 1 1 A 89 89 GLU HA H 89 4.233 5.245 -1.012 1
1 1089 . 4 1 1 A 89 89 GLU C C 89 175.212 174.046 1.166 1
1 1090 . 4 1 1 A 89 89 GLU CA C 89 55.728 54.194 1.534 1
1 1091 . 4 1 1 A 89 89 GLU CB C 89 31.640 33.781 -2.141 1
1 1093 . 4 1 1 A 89 89 GLU N N 89 125.288 118.813 6.475 1
1 1094 . 4 1 1 A 90 90 LEU H H 90 8.727 8.836 -0.109 1
1 1095 . 4 1 1 A 90 90 LEU HA H 90 4.829 5.306 -0.477 1
1 1105 . 4 1 1 A 90 90 LEU C C 90 175.893 175.260 0.633 1
1 1106 . 4 1 1 A 90 90 LEU CA C 90 53.771 53.454 0.317 1
1 1107 . 4 1 1 A 90 90 LEU CB C 90 41.511 45.833 -4.322 1
1 1111 . 4 1 1 A 90 90 LEU N N 90 125.766 123.838 1.928 1
1 1112 . 4 1 1 A 91 91 LYS H H 91 8.715 8.874 -0.159 1
1 1113 . 4 1 1 A 91 91 LYS HA H 91 4.164 4.302 -0.138 1
1 1122 . 4 1 1 A 91 91 LYS C C 91 177.680 177.406 0.274 1
1 1123 . 4 1 1 A 91 91 LYS CA C 91 57.796 57.480 0.316 1
1 1124 . 4 1 1 A 91 91 LYS CB C 91 31.705 32.669 -0.964 1
1 1128 . 4 1 1 A 91 91 LYS N N 91 131.405 126.340 5.065 1
1 1129 . 4 1 1 A 92 92 GLY H H 92 9.408 8.575 0.833 1
1 1130 . 4 1 1 A 92 92 GLY HA2 H 92 3.828 3.943 -0.115 1
1 1131 . 4 1 1 A 92 92 GLY HA3 H 92 4.268 3.943 0.325 1
1 1132 . 4 1 1 A 92 92 GLY C C 92 175.634 174.662 0.972 1
1 1133 . 4 1 1 A 92 92 GLY CA C 92 46.001 45.054 0.947 1
1 1134 . 4 1 1 A 92 92 GLY N N 92 115.262 111.672 3.590 1
1 1135 . 4 1 1 A 93 93 GLY H H 93 7.616 8.819 -1.203 1
1 1136 . 4 1 1 A 93 93 GLY HA2 H 93 3.429 4.063 -0.634 1
1 1137 . 4 1 1 A 93 93 GLY HA3 H 93 4.276 4.122 0.154 1
1 1138 . 4 1 1 A 93 93 GLY C C 93 172.357 174.808 -2.451 1
1 1139 . 4 1 1 A 93 93 GLY CA C 93 46.436 45.900 0.536 1
1 1140 . 4 1 1 A 93 93 GLY N N 93 106.201 109.068 -2.867 1
1 1141 . 4 1 1 A 94 94 LEU H H 94 8.854 9.036 -0.182 1
1 1142 . 4 1 1 A 94 94 LEU HA H 94 3.643 4.132 -0.489 1
1 1152 . 4 1 1 A 94 94 LEU C C 94 178.092 178.697 -0.605 1
1 1153 . 4 1 1 A 94 94 LEU CA C 94 56.966 57.461 -0.495 1
1 1154 . 4 1 1 A 94 94 LEU CB C 94 41.937 41.695 0.242 1
1 1158 . 4 1 1 A 94 94 LEU N N 94 124.279 125.121 -0.842 1
1 1159 . 4 1 1 A 95 95 ALA H H 95 8.683 8.185 0.498 1
1 1160 . 4 1 1 A 95 95 ALA HA H 95 4.061 4.009 0.052 1
1 1164 . 4 1 1 A 95 95 ALA C C 95 180.877 179.531 1.346 1
1 1165 . 4 1 1 A 95 95 ALA CA C 95 55.406 55.670 -0.264 1
1 1166 . 4 1 1 A 95 95 ALA CB C 95 18.053 17.852 0.201 1
1 1167 . 4 1 1 A 95 95 ALA N N 95 120.253 120.966 -0.713 1
1 1168 . 4 1 1 A 96 96 ALA H H 96 7.249 7.535 -0.286 1
1 1169 . 4 1 1 A 96 96 ALA HA H 96 4.132 4.039 0.093 1
1 1173 . 4 1 1 A 96 96 ALA C C 96 179.350 179.424 -0.074 1
1 1174 . 4 1 1 A 96 96 ALA CA C 96 54.429 55.064 -0.635 1
1 1175 . 4 1 1 A 96 96 ALA CB C 96 18.580 18.341 0.239 1
1 1176 . 4 1 1 A 96 96 ALA N N 96 121.080 119.675 1.405 1
1 1177 . 4 1 1 A 97 97 TRP H H 97 7.636 7.977 -0.341 1
1 1178 . 4 1 1 A 97 97 TRP HA H 97 4.051 4.148 -0.097 1
1 1187 . 4 1 1 A 97 97 TRP C C 97 178.223 178.307 -0.084 1
1 1188 . 4 1 1 A 97 97 TRP CA C 97 59.343 61.565 -2.222 1
1 1189 . 4 1 1 A 97 97 TRP CB C 97 29.734 29.985 -0.251 1
1 1195 . 4 1 1 A 97 97 TRP N N 97 119.015 121.114 -2.099 1
1 1197 . 4 1 1 A 98 98 LYS H H 98 8.764 8.142 0.622 1
1 1198 . 4 1 1 A 98 98 LYS HA H 98 3.886 4.120 -0.234 1
1 1207 . 4 1 1 A 98 98 LYS C C 98 180.503 179.393 1.110 1
1 1208 . 4 1 1 A 98 98 LYS CA C 98 59.365 59.342 0.023 1
1 1209 . 4 1 1 A 98 98 LYS CB C 98 31.899 32.475 -0.576 1
1 1213 . 4 1 1 A 98 98 LYS N N 98 117.855 118.936 -1.081 1
1 1214 . 4 1 1 A 99 99 ALA H H 99 7.802 8.518 -0.716 1
1 1215 . 4 1 1 A 99 99 ALA HA H 99 4.139 4.107 0.032 1
1 1219 . 4 1 1 A 99 99 ALA C C 99 179.188 179.437 -0.249 1
1 1220 . 4 1 1 A 99 99 ALA CA C 99 54.521 55.002 -0.481 1
1 1221 . 4 1 1 A 99 99 ALA CB C 99 18.016 18.323 -0.307 1
1 1222 . 4 1 1 A 99 99 ALA N N 99 121.263 122.303 -1.040 1
1 1223 . 4 1 1 A 100 100 ILE H H 100 6.803 7.771 -0.968 1
1 1224 . 4 1 1 A 100 100 ILE HA H 100 4.509 4.080 0.429 1
1 1234 . 4 1 1 A 100 100 ILE C C 100 175.810 176.606 -0.796 1
1 1235 . 4 1 1 A 100 100 ILE CA C 100 59.964 60.745 -0.781 1
1 1236 . 4 1 1 A 100 100 ILE CB C 100 37.866 37.306 0.560 1
1 1240 . 4 1 1 A 100 100 ILE N N 100 107.978 111.327 -3.349 1
1 1241 . 4 1 1 A 101 101 GLY H H 101 7.741 7.927 -0.186 1
1 1242 . 4 1 1 A 101 101 GLY HA2 H 101 3.618 3.925 -0.307 1
1 1243 . 4 1 1 A 101 101 GLY HA3 H 101 3.866 3.932 -0.066 1
1 1244 . 4 1 1 A 101 101 GLY C C 101 175.319 175.155 0.164 1
1 1245 . 4 1 1 A 101 101 GLY CA C 101 45.444 46.600 -1.156 1
1 1246 . 4 1 1 A 101 101 GLY N N 101 109.732 111.602 -1.870 1
1 1247 . 4 1 1 A 102 102 GLY H H 102 7.823 8.063 -0.240 1
1 1248 . 4 1 1 A 102 102 GLY HA2 H 102 2.942 3.162 -0.220 1
1 1249 . 4 1 1 A 102 102 GLY HA3 H 102 2.942 3.735 -0.793 1
1 1250 . 4 1 1 A 102 102 GLY C C 102 171.578 172.859 -1.281 1
1 1251 . 4 1 1 A 102 102 GLY CA C 102 41.964 44.009 -2.045 1
1 1252 . 4 1 1 A 102 102 GLY N N 102 108.608 107.402 1.206 1
1 1253 . 4 1 1 A 103 103 PRO HA H 103 4.643 4.682 -0.039 1
1 1260 . 4 1 1 A 103 103 PRO C C 103 178.778 176.661 2.117 1
1 1261 . 4 1 1 A 103 103 PRO CA C 103 62.843 63.091 -0.248 1
1 1262 . 4 1 1 A 103 103 PRO CB C 103 32.263 31.778 0.485 1
1 1265 . 4 1 1 A 104 104 THR H H 104 8.760 8.508 0.252 1
1 1266 . 4 1 1 A 104 104 THR HA H 104 5.017 5.200 -0.183 1
1 1271 . 4 1 1 A 104 104 THR C C 104 172.498 173.075 -0.577 1
1 1272 . 4 1 1 A 104 104 THR CA C 104 59.729 59.514 0.215 1
1 1273 . 4 1 1 A 104 104 THR CB C 104 72.479 72.136 0.343 1
1 1275 . 4 1 1 A 104 104 THR N N 104 116.086 112.770 3.316 1
1 1276 . 4 1 1 A 105 105 GLU H H 105 8.267 8.647 -0.380 1
1 1277 . 4 1 1 A 105 105 GLU HA H 105 4.499 4.786 -0.287 1
1 1282 . 4 1 1 A 105 105 GLU C C 105 173.848 175.003 -1.155 1
1 1283 . 4 1 1 A 105 105 GLU CA C 105 54.647 54.879 -0.232 1
1 1284 . 4 1 1 A 105 105 GLU CB C 105 34.227 32.206 2.021 1
1 1286 . 4 1 1 A 105 105 GLU N N 105 117.663 119.659 -1.996 1
1 1287 . 4 1 1 A 106 106 GLY H H 106 8.207 8.416 -0.209 1
1 1288 . 4 1 1 A 106 106 GLY HA2 H 106 3.873 4.161 -0.288 1
1 1289 . 4 1 1 A 106 106 GLY HA3 H 106 3.873 4.194 -0.321 1
1 1290 . 4 1 1 A 106 106 GLY C C 106 173.052 174.566 -1.514 1
1 1291 . 4 1 1 A 106 106 GLY CA C 106 44.313 44.960 -0.647 1
1 1292 . 4 1 1 A 106 106 GLY N N 106 108.896 108.490 0.406 1
1 1293 . 4 1 1 A 107 107 ILE H H 107 8.333 9.359 -1.026 1
1 1294 . 4 1 1 A 107 107 ILE HA H 107 4.110 3.794 0.316 1
1 1304 . 4 1 1 A 107 107 ILE C C 107 176.773 177.678 -0.905 1
1 1305 . 4 1 1 A 107 107 ILE CA C 107 62.404 64.154 -1.750 1
1 1306 . 4 1 1 A 107 107 ILE CB C 107 38.826 37.580 1.246 1
1 1310 . 4 1 1 A 107 107 ILE N N 107 119.410 122.235 -2.825 1
1 1311 . 4 1 1 A 108 108 ILE H H 108 8.369 7.454 0.915 1
1 1312 . 4 1 1 A 108 108 ILE HA H 108 4.167 3.942 0.225 1
1 1322 . 4 1 1 A 108 108 ILE C C 108 176.821 177.817 -0.996 1
1 1323 . 4 1 1 A 108 108 ILE CA C 108 61.060 63.812 -2.752 1
1 1324 . 4 1 1 A 108 108 ILE CB C 108 37.984 38.271 -0.287 1
1 1328 . 4 1 1 A 108 108 ILE N N 108 122.390 120.244 2.146 1
1 1329 . 4 1 1 A 109 109 GLU H H 109 8.127 8.405 -0.278 1
1 1330 . 4 1 1 A 109 109 GLU HA H 109 4.218 4.134 0.084 1
1 1335 . 4 1 1 A 109 109 GLU C C 109 176.438 178.488 -2.050 1
1 1336 . 4 1 1 A 109 109 GLU CA C 109 56.548 58.450 -1.902 1
1 1337 . 4 1 1 A 109 109 GLU CB C 109 30.178 29.685 0.493 1
1 1339 . 4 1 1 A 109 109 GLU N N 109 123.739 121.626 2.113 1
1 1340 . 4 1 1 A 110 110 SER H H 110 8.291 7.599 0.692 1
1 1341 . 4 1 1 A 110 110 SER HA H 110 4.446 4.248 0.198 1
1 1344 . 4 1 1 A 110 110 SER C C 110 174.330 174.053 0.277 1
1 1345 . 4 1 1 A 110 110 SER CA C 110 58.252 61.113 -2.861 1
1 1346 . 4 1 1 A 110 110 SER CB C 110 63.598 63.146 0.452 1
1 1347 . 4 1 1 A 110 110 SER N N 110 116.242 114.569 1.673 1
1 1348 . 4 1 1 A 111 111 ARG H H 111 8.238 7.256 0.982 1
1 1349 . 4 1 1 A 111 111 ARG HA H 111 4.426 4.726 -0.300 1
1 1357 . 4 1 1 A 111 111 ARG C C 111 176.113 175.122 0.991 1
1 1358 . 4 1 1 A 111 111 ARG CA C 111 55.848 54.861 0.987 1
1 1359 . 4 1 1 A 111 111 ARG CB C 111 30.755 32.416 -1.661 1
1 1362 . 4 1 1 A 111 111 ARG N N 111 122.827 117.398 5.429 1
1 1364 . 4 1 1 A 112 112 THR H H 112 8.229 8.823 -0.594 1
1 1365 . 4 1 1 A 112 112 THR HA H 112 4.573 4.846 -0.273 1
1 1370 . 4 1 1 A 112 112 THR C C 112 172.790 174.597 -1.807 1
1 1371 . 4 1 1 A 112 112 THR CA C 112 59.716 59.604 0.112 1
1 1372 . 4 1 1 A 112 112 THR CB C 112 69.503 69.281 0.222 1
1 1374 . 4 1 1 A 112 112 THR N N 112 117.863 116.231 1.632 1
1 1375 . 4 1 1 A 113 113 PRO HA H 113 4.388 4.515 -0.127 1
1 1382 . 4 1 1 A 113 113 PRO C C 113 176.605 175.528 1.077 1
1 1383 . 4 1 1 A 113 113 PRO CA C 113 63.131 63.930 -0.799 1
1 1384 . 4 1 1 A 113 113 PRO CB C 113 31.931 32.192 -0.261 1
1 1387 . 4 1 1 A 114 114 ALA H H 114 8.422 7.285 1.137 1
1 1388 . 4 1 1 A 114 114 ALA HA H 114 4.284 4.696 -0.412 1
1 1392 . 4 1 1 A 114 114 ALA C C 114 178.251 175.744 2.507 1
1 1393 . 4 1 1 A 114 114 ALA CA C 114 52.518 51.686 0.832 1
1 1394 . 4 1 1 A 114 114 ALA CB C 114 19.131 22.524 -3.393 1
1 1395 . 4 1 1 A 114 114 ALA N N 114 124.466 118.832 5.634 1
1 1396 . 4 1 1 A 115 115 GLY H H 115 8.380 9.165 -0.785 1
1 1397 . 4 1 1 A 115 115 GLY HA2 H 115 3.956 4.018 -0.062 1
1 1398 . 4 1 1 A 115 115 GLY HA3 H 115 3.934 4.021 -0.087 1
1 1399 . 4 1 1 A 115 115 GLY C C 115 174.020 172.689 1.331 1
1 1400 . 4 1 1 A 115 115 GLY CA C 115 45.095 46.687 -1.592 1
1 1401 . 4 1 1 A 115 115 GLY N N 115 108.587 111.652 -3.065 1
1 1402 . 4 1 1 A 116 116 ALA H H 116 8.127 8.695 -0.568 1
1 1403 . 4 1 1 A 116 116 ALA HA H 116 4.292 5.124 -0.832 1
1 1407 . 4 1 1 A 116 116 ALA C C 116 177.565 176.642 0.923 1
1 1408 . 4 1 1 A 116 116 ALA CA C 116 52.504 50.857 1.647 1
1 1409 . 4 1 1 A 116 116 ALA CB C 116 19.187 21.118 -1.931 1
1 1410 . 4 1 1 A 116 116 ALA N N 116 123.523 127.377 -3.854 1
1 1411 . 4 1 1 A 117 117 ASP H H 117 8.316 8.738 -0.422 1
1 1412 . 4 1 1 A 117 117 ASP HA H 117 4.555 5.047 -0.492 1
1 1415 . 4 1 1 A 117 117 ASP C C 117 175.899 175.556 0.343 1
1 1416 . 4 1 1 A 117 117 ASP CA C 117 54.254 53.481 0.773 1
1 1417 . 4 1 1 A 117 117 ASP CB C 117 40.962 43.197 -2.235 1
1 1418 . 4 1 1 A 117 117 ASP N N 117 118.783 121.171 -2.388 1
1 1419 . 4 1 1 A 118 118 ASP H H 118 8.083 8.976 -0.893 1
1 1420 . 4 1 1 A 118 118 ASP HA H 118 4.529 4.818 -0.289 1
1 1423 . 4 1 1 A 118 118 ASP C C 118 176.278 177.201 -0.923 1
1 1424 . 4 1 1 A 118 118 ASP CA C 118 54.202 53.148 1.054 1
1 1425 . 4 1 1 A 118 118 ASP CB C 118 40.933 41.494 -0.561 1
1 1426 . 4 1 1 A 118 118 ASP N N 118 119.935 122.721 -2.786 1
1 1427 . 4 1 1 A 119 119 TYR H H 119 8.107 9.008 -0.901 1
1 1428 . 4 1 1 A 119 119 TYR HA H 119 4.450 4.232 0.218 1
1 1435 . 4 1 1 A 119 119 TYR C C 119 175.825 176.293 -0.468 1
1 1436 . 4 1 1 A 119 119 TYR CA C 119 58.350 61.195 -2.845 1
1 1437 . 4 1 1 A 119 119 TYR CB C 119 38.260 37.592 0.668 1
1 1442 . 4 1 1 A 119 119 TYR N N 119 120.415 121.090 -0.675 1
1 1443 . 4 1 1 A 120 120 ASN H H 120 8.276 7.325 0.951 1
1 1444 . 4 1 1 A 120 120 ASN HA H 120 4.615 4.145 0.470 1
1 1449 . 4 1 1 A 120 120 ASN C C 120 175.102 175.587 -0.485 1
1 1450 . 4 1 1 A 120 120 ASN CA C 120 53.396 53.744 -0.348 1
1 1451 . 4 1 1 A 120 120 ASN CB C 120 38.712 36.688 2.024 1
1 1452 . 4 1 1 A 120 120 ASN N N 120 119.834 118.044 1.790 1
1 1454 . 4 1 1 A 121 121 VAL H H 121 7.897 7.993 -0.096 1
1 1455 . 4 1 1 A 121 121 VAL HA H 121 4.009 4.116 -0.107 1
1 1463 . 4 1 1 A 121 121 VAL C C 121 176.484 175.584 0.900 1
1 1464 . 4 1 1 A 121 121 VAL CA C 121 62.950 62.645 0.305 1
1 1465 . 4 1 1 A 121 121 VAL CB C 121 32.326 32.969 -0.643 1
1 1468 . 4 1 1 A 121 121 VAL N N 121 120.109 120.966 -0.857 1
1 1469 . 4 1 1 A 122 122 VAL H H 122 8.091 8.816 -0.725 1
1 1470 . 4 1 1 A 122 122 VAL HA H 122 4.014 4.048 -0.034 1
1 1478 . 4 1 1 A 122 122 VAL C C 122 176.568 177.212 -0.644 1
1 1479 . 4 1 1 A 122 122 VAL CA C 122 62.924 63.111 -0.187 1
1 1480 . 4 1 1 A 122 122 VAL CB C 122 32.279 30.610 1.669 1
1 1483 . 4 1 1 A 122 122 VAL N N 122 122.407 129.751 -7.344 1
1 1484 . 4 1 1 A 123 123 SER H H 123 8.228 8.530 -0.302 1
1 1485 . 4 1 1 A 123 123 SER HA H 123 4.385 4.333 0.052 1
1 1488 . 4 1 1 A 123 123 SER C C 123 174.863 174.674 0.189 1
1 1489 . 4 1 1 A 123 123 SER CA C 123 58.525 60.808 -2.283 1
1 1490 . 4 1 1 A 123 123 SER CB C 123 63.450 63.217 0.233 1
1 1491 . 4 1 1 A 123 123 SER N N 123 118.095 122.196 -4.101 1
1 1492 . 4 1 1 A 124 124 ARG H H 124 8.208 8.074 0.134 1
1 1493 . 4 1 1 A 124 124 ARG HA H 124 4.297 4.313 -0.016 1
1 1500 . 4 1 1 A 124 124 ARG C C 124 176.328 176.170 0.158 1
1 1501 . 4 1 1 A 124 124 ARG CA C 124 56.408 56.842 -0.434 1
1 1502 . 4 1 1 A 124 124 ARG CB C 124 30.480 28.825 1.655 1
1 1505 . 4 1 1 A 124 124 ARG N N 124 122.632 120.583 2.049 1
1 1506 . 4 1 1 A 125 125 LEU H H 125 8.081 8.172 -0.091 1
1 1507 . 4 1 1 A 125 125 LEU HA H 125 4.262 4.623 -0.361 1
1 1517 . 4 1 1 A 125 125 LEU C C 125 177.375 176.766 0.609 1
1 1518 . 4 1 1 A 125 125 LEU CA C 125 55.282 53.970 1.312 1
1 1519 . 4 1 1 A 125 125 LEU CB C 125 42.042 42.911 -0.869 1
1 1523 . 4 1 1 A 125 125 LEU N N 125 121.964 128.780 -6.816 1
1 1524 . 4 1 1 A 126 126 GLU H H 126 8.232 7.674 0.558 1
1 1525 . 4 1 1 A 126 126 GLU HA H 126 4.179 4.433 -0.254 1
1 1530 . 4 1 1 A 126 126 GLU C C 126 176.238 176.057 0.181 1
1 1531 . 4 1 1 A 126 126 GLU CA C 126 56.451 55.931 0.520 1
1 1532 . 4 1 1 A 126 126 GLU CB C 126 30.131 30.588 -0.457 1
1 14 . 5 1 1 A 2 2 GLU H H 2 8.824 8.761 0.063 1
1 15 . 5 1 1 A 2 2 GLU HA H 2 4.687 4.521 0.166 1
1 20 . 5 1 1 A 2 2 GLU C C 2 175.506 176.589 -1.083 1
1 21 . 5 1 1 A 2 2 GLU CA C 2 54.603 54.727 -0.124 1
1 22 . 5 1 1 A 2 2 GLU CB C 2 29.310 29.018 0.292 1
1 24 . 5 1 1 A 2 2 GLU N N 2 125.698 124.462 1.236 1
1 25 . 5 1 1 A 3 3 PRO HA H 3 4.398 4.386 0.012 1
1 32 . 5 1 1 A 3 3 PRO C C 3 176.267 176.674 -0.407 1
1 33 . 5 1 1 A 3 3 PRO CA C 3 64.781 65.610 -0.829 1
1 34 . 5 1 1 A 3 3 PRO CB C 3 31.918 31.655 0.263 1
1 37 . 5 1 1 A 4 4 GLN H H 4 7.738 8.021 -0.283 1
1 38 . 5 1 1 A 4 4 GLN HA H 4 4.908 5.156 -0.248 1
1 45 . 5 1 1 A 4 4 GLN C C 4 175.006 174.647 0.359 1
1 46 . 5 1 1 A 4 4 GLN CA C 4 54.697 55.127 -0.430 1
1 47 . 5 1 1 A 4 4 GLN CB C 4 31.196 30.643 0.553 1
1 49 . 5 1 1 A 4 4 GLN N N 4 114.971 117.864 -2.893 1
1 51 . 5 1 1 A 5 5 SER H H 5 9.180 8.824 0.356 1
1 52 . 5 1 1 A 5 5 SER HA H 5 4.825 5.264 -0.439 1
1 55 . 5 1 1 A 5 5 SER C C 5 172.669 173.019 -0.350 1
1 56 . 5 1 1 A 5 5 SER CA C 5 58.100 56.559 1.541 1
1 57 . 5 1 1 A 5 5 SER CB C 5 65.536 64.787 0.749 1
1 58 . 5 1 1 A 5 5 SER N N 5 117.801 119.431 -1.630 1
1 59 . 5 1 1 A 6 6 ASP H H 6 8.386 8.547 -0.161 1
1 60 . 5 1 1 A 6 6 ASP HA H 6 4.841 4.776 0.065 1
1 63 . 5 1 1 A 6 6 ASP C C 6 177.071 177.008 0.063 1
1 64 . 5 1 1 A 6 6 ASP CA C 6 53.810 53.826 -0.016 1
1 65 . 5 1 1 A 6 6 ASP CB C 6 42.427 42.091 0.336 1
1 66 . 5 1 1 A 6 6 ASP N N 6 123.042 125.811 -2.769 1
1 67 . 5 1 1 A 7 7 ALA H H 7 9.312 8.805 0.507 1
1 68 . 5 1 1 A 7 7 ALA HA H 7 4.036 4.133 -0.097 1
1 72 . 5 1 1 A 7 7 ALA C C 7 178.859 179.929 -1.070 1
1 73 . 5 1 1 A 7 7 ALA CA C 7 55.703 55.194 0.509 1
1 74 . 5 1 1 A 7 7 ALA CB C 7 17.952 18.158 -0.206 1
1 75 . 5 1 1 A 7 7 ALA N N 7 123.976 127.415 -3.439 1
1 76 . 5 1 1 A 8 8 HIS H H 8 8.537 7.451 1.086 1
1 77 . 5 1 1 A 8 8 HIS HA H 8 3.950 4.254 -0.304 1
1 82 . 5 1 1 A 8 8 HIS C C 8 178.023 177.902 0.121 1
1 83 . 5 1 1 A 8 8 HIS CA C 8 59.778 58.145 1.633 1
1 84 . 5 1 1 A 8 8 HIS CB C 8 29.039 28.538 0.501 1
1 87 . 5 1 1 A 8 8 HIS N N 8 114.303 115.543 -1.240 1
1 90 . 5 1 1 A 9 9 VAL H H 9 7.567 8.047 -0.480 1
1 91 . 5 1 1 A 9 9 VAL HA H 9 3.709 3.493 0.216 1
1 99 . 5 1 1 A 9 9 VAL C C 9 178.518 178.252 0.266 1
1 100 . 5 1 1 A 9 9 VAL CA C 9 65.508 66.897 -1.389 1
1 101 . 5 1 1 A 9 9 VAL CB C 9 31.604 31.497 0.107 1
1 104 . 5 1 1 A 9 9 VAL N N 9 121.235 121.220 0.015 1
1 105 . 5 1 1 A 10 10 LEU H H 10 7.219 8.272 -1.053 1
1 106 . 5 1 1 A 10 10 LEU HA H 10 3.716 3.805 -0.089 1
1 116 . 5 1 1 A 10 10 LEU C C 10 177.133 178.191 -1.058 1
1 117 . 5 1 1 A 10 10 LEU CA C 10 57.133 58.355 -1.222 1
1 118 . 5 1 1 A 10 10 LEU CB C 10 40.756 41.433 -0.677 1
1 122 . 5 1 1 A 10 10 LEU N N 10 120.890 120.098 0.792 1
1 123 . 5 1 1 A 11 11 LYS H H 11 8.568 8.192 0.376 1
1 124 . 5 1 1 A 11 11 LYS HA H 11 3.943 3.922 0.021 1
1 133 . 5 1 1 A 11 11 LYS C C 11 178.143 179.149 -1.006 1
1 134 . 5 1 1 A 11 11 LYS CA C 11 60.388 59.656 0.732 1
1 135 . 5 1 1 A 11 11 LYS CB C 11 32.354 31.839 0.515 1
1 139 . 5 1 1 A 11 11 LYS N N 11 120.361 119.872 0.489 1
1 140 . 5 1 1 A 12 12 SER H H 12 7.865 8.424 -0.559 1
1 141 . 5 1 1 A 12 12 SER HA H 12 4.225 4.267 -0.042 1
1 144 . 5 1 1 A 12 12 SER C C 12 175.839 176.968 -1.129 1
1 145 . 5 1 1 A 12 12 SER CA C 12 61.626 61.942 -0.316 1
1 146 . 5 1 1 A 12 12 SER CB C 12 62.749 62.827 -0.078 1
1 147 . 5 1 1 A 12 12 SER N N 12 113.173 117.611 -4.438 1
1 148 . 5 1 1 A 13 13 ARG H H 13 7.701 7.379 0.322 1
1 149 . 5 1 1 A 13 13 ARG HA H 13 3.827 4.253 -0.426 1
1 157 . 5 1 1 A 13 13 ARG C C 13 178.606 179.125 -0.519 1
1 158 . 5 1 1 A 13 13 ARG CA C 13 58.926 58.878 0.048 1
1 159 . 5 1 1 A 13 13 ARG CB C 13 29.616 29.450 0.166 1
1 162 . 5 1 1 A 13 13 ARG N N 13 122.104 122.058 0.046 1
1 164 . 5 1 1 A 14 14 LEU H H 14 8.308 8.355 -0.047 1
1 165 . 5 1 1 A 14 14 LEU HA H 14 4.219 4.381 -0.162 1
1 175 . 5 1 1 A 14 14 LEU C C 14 178.590 178.845 -0.255 1
1 176 . 5 1 1 A 14 14 LEU CA C 14 57.904 58.236 -0.332 1
1 177 . 5 1 1 A 14 14 LEU CB C 14 42.627 42.009 0.618 1
1 181 . 5 1 1 A 14 14 LEU N N 14 119.549 122.412 -2.863 1
1 182 . 5 1 1 A 15 15 GLU H H 15 7.824 8.528 -0.704 1
1 183 . 5 1 1 A 15 15 GLU HA H 15 3.998 4.059 -0.061 1
1 188 . 5 1 1 A 15 15 GLU C C 15 177.805 178.485 -0.680 1
1 189 . 5 1 1 A 15 15 GLU CA C 15 58.219 59.203 -0.984 1
1 190 . 5 1 1 A 15 15 GLU CB C 15 29.865 30.282 -0.417 1
1 192 . 5 1 1 A 15 15 GLU N N 15 116.921 118.093 -1.172 1
1 193 . 5 1 1 A 16 16 TRP H H 16 7.905 8.523 -0.618 1
1 194 . 5 1 1 A 16 16 TRP HA H 16 4.895 4.701 0.194 1
1 203 . 5 1 1 A 16 16 TRP C C 16 176.778 176.777 0.001 1
1 204 . 5 1 1 A 16 16 TRP CA C 16 57.033 59.187 -2.154 1
1 205 . 5 1 1 A 16 16 TRP CB C 16 30.513 31.039 -0.526 1
1 211 . 5 1 1 A 16 16 TRP N N 16 116.589 117.341 -0.752 1
1 213 . 5 1 1 A 17 17 GLY H H 17 8.007 7.936 0.071 1
1 214 . 5 1 1 A 17 17 GLY HA2 H 17 3.979 4.224 -0.245 1
1 215 . 5 1 1 A 17 17 GLY HA3 H 17 4.200 4.283 -0.083 1
1 216 . 5 1 1 A 17 17 GLY C C 17 173.650 173.416 0.234 1
1 217 . 5 1 1 A 17 17 GLY CA C 17 44.786 44.511 0.275 1
1 218 . 5 1 1 A 17 17 GLY N N 17 108.398 107.525 0.873 1
1 219 . 5 1 1 A 18 18 GLU H H 18 8.483 8.461 0.022 1
1 220 . 5 1 1 A 18 18 GLU HA H 18 4.534 4.798 -0.264 1
1 225 . 5 1 1 A 18 18 GLU C C 18 176.535 175.655 0.880 1
1 226 . 5 1 1 A 18 18 GLU CA C 18 54.615 53.053 1.562 1
1 227 . 5 1 1 A 18 18 GLU CB C 18 29.654 30.873 -1.219 1
1 229 . 5 1 1 A 18 18 GLU N N 18 121.984 119.985 1.999 1
1 230 . 5 1 1 A 19 19 PRO HA H 19 4.549 4.003 0.546 1
1 237 . 5 1 1 A 19 19 PRO C C 19 176.737 176.256 0.481 1
1 238 . 5 1 1 A 19 19 PRO CA C 19 63.685 63.129 0.556 1
1 239 . 5 1 1 A 19 19 PRO CB C 19 30.940 30.680 0.260 1
1 242 . 5 1 1 A 20 20 ALA H H 20 8.386 8.162 0.224 1
1 243 . 5 1 1 A 20 20 ALA HA H 20 4.536 4.373 0.163 1
1 247 . 5 1 1 A 20 20 ALA C C 20 174.844 176.634 -1.790 1
1 248 . 5 1 1 A 20 20 ALA CA C 20 51.312 52.425 -1.113 1
1 249 . 5 1 1 A 20 20 ALA CB C 20 17.883 19.322 -1.439 1
1 250 . 5 1 1 A 20 20 ALA N N 20 126.537 122.470 4.067 1
1 251 . 5 1 1 A 21 21 PHE H H 21 7.244 6.877 0.367 1
1 252 . 5 1 1 A 21 21 PHE HA H 21 5.485 5.435 0.050 1
1 260 . 5 1 1 A 21 21 PHE C C 21 173.639 174.091 -0.452 1
1 261 . 5 1 1 A 21 21 PHE CA C 21 55.312 55.152 0.160 1
1 262 . 5 1 1 A 21 21 PHE CB C 21 41.581 42.730 -1.149 1
1 268 . 5 1 1 A 21 21 PHE N N 21 115.447 115.047 0.400 1
1 269 . 5 1 1 A 22 22 THR H H 22 9.203 9.058 0.145 1
1 270 . 5 1 1 A 22 22 THR HA H 22 4.583 5.164 -0.581 1
1 275 . 5 1 1 A 22 22 THR C C 22 171.987 173.552 -1.565 1
1 276 . 5 1 1 A 22 22 THR CA C 22 62.368 61.666 0.702 1
1 277 . 5 1 1 A 22 22 THR CB C 22 72.961 70.677 2.284 1
1 279 . 5 1 1 A 22 22 THR N N 22 119.035 115.083 3.952 1
1 280 . 5 1 1 A 23 23 ILE H H 23 9.318 9.350 -0.032 1
1 281 . 5 1 1 A 23 23 ILE HA H 23 5.172 5.511 -0.339 1
1 291 . 5 1 1 A 23 23 ILE C C 23 173.969 175.303 -1.334 1
1 292 . 5 1 1 A 23 23 ILE CA C 23 59.958 60.200 -0.242 1
1 293 . 5 1 1 A 23 23 ILE CB C 23 40.273 40.019 0.254 1
1 297 . 5 1 1 A 23 23 ILE N N 23 127.452 129.302 -1.850 1
1 298 . 5 1 1 A 24 24 LEU H H 24 9.522 9.233 0.289 1
1 299 . 5 1 1 A 24 24 LEU HA H 24 4.871 5.219 -0.348 1
1 309 . 5 1 1 A 24 24 LEU C C 24 172.823 174.969 -2.146 1
1 310 . 5 1 1 A 24 24 LEU CA C 24 53.100 53.772 -0.672 1
1 311 . 5 1 1 A 24 24 LEU CB C 24 44.522 45.312 -0.790 1
1 315 . 5 1 1 A 24 24 LEU N N 24 127.148 126.724 0.424 1
1 316 . 5 1 1 A 25 25 ASP H H 25 8.325 8.841 -0.516 1
1 317 . 5 1 1 A 25 25 ASP HA H 25 4.112 4.222 -0.110 1
1 320 . 5 1 1 A 25 25 ASP C C 25 177.457 176.699 0.758 1
1 321 . 5 1 1 A 25 25 ASP CA C 25 51.097 52.546 -1.449 1
1 322 . 5 1 1 A 25 25 ASP CB C 25 43.056 41.187 1.869 1
1 323 . 5 1 1 A 25 25 ASP N N 25 122.856 123.067 -0.211 1
1 324 . 5 1 1 A 26 26 VAL H H 26 7.924 7.924 0.000 1
1 325 . 5 1 1 A 26 26 VAL HA H 26 4.964 4.350 0.614 1
1 333 . 5 1 1 A 26 26 VAL C C 26 176.585 177.078 -0.493 1
1 334 . 5 1 1 A 26 26 VAL CA C 26 59.554 61.333 -1.779 1
1 335 . 5 1 1 A 26 26 VAL CB C 26 30.002 32.008 -2.006 1
1 338 . 5 1 1 A 26 26 VAL N N 26 117.391 119.945 -2.554 1
1 339 . 5 1 1 A 27 27 ARG H H 27 7.773 7.385 0.388 1
1 340 . 5 1 1 A 27 27 ARG HA H 27 4.418 4.645 -0.227 1
1 352 . 5 1 1 A 27 27 ARG C C 27 173.931 175.982 -2.051 1
1 353 . 5 1 1 A 27 27 ARG CA C 27 55.487 58.467 -2.980 1
1 354 . 5 1 1 A 27 27 ARG CB C 27 30.337 30.873 -0.536 1
1 357 . 5 1 1 A 27 27 ARG N N 27 121.126 120.492 0.634 1
1 361 . 5 1 1 A 28 28 ASP H H 28 7.792 7.732 0.060 1
1 362 . 5 1 1 A 28 28 ASP HA H 28 4.431 4.795 -0.364 1
1 365 . 5 1 1 A 28 28 ASP C C 28 176.402 175.862 0.540 1
1 366 . 5 1 1 A 28 28 ASP CA C 28 54.427 53.864 0.563 1
1 367 . 5 1 1 A 28 28 ASP CB C 28 41.498 44.077 -2.579 1
1 368 . 5 1 1 A 28 28 ASP N N 28 115.368 114.714 0.654 1
1 369 . 5 1 1 A 29 29 ARG H H 29 8.781 8.733 0.048 1
1 370 . 5 1 1 A 29 29 ARG HA H 29 3.853 3.900 -0.047 1
1 378 . 5 1 1 A 29 29 ARG C C 29 177.811 177.749 0.062 1
1 379 . 5 1 1 A 29 29 ARG CA C 29 58.920 59.712 -0.792 1
1 380 . 5 1 1 A 29 29 ARG CB C 29 29.762 30.052 -0.290 1
1 383 . 5 1 1 A 29 29 ARG N N 29 121.538 125.605 -4.067 1
1 385 . 5 1 1 A 30 30 SER H H 30 8.478 8.001 0.477 1
1 386 . 5 1 1 A 30 30 SER HA H 30 4.190 4.263 -0.073 1
1 389 . 5 1 1 A 30 30 SER C C 30 176.814 176.834 -0.020 1
1 390 . 5 1 1 A 30 30 SER CA C 30 61.929 62.425 -0.496 1
1 391 . 5 1 1 A 30 30 SER CB C 30 62.051 63.057 -1.006 1
1 392 . 5 1 1 A 30 30 SER N N 30 113.937 116.938 -3.001 1
1 393 . 5 1 1 A 31 31 THR H H 31 7.724 7.763 -0.039 1
1 394 . 5 1 1 A 31 31 THR HA H 31 4.096 4.061 0.035 1
1 399 . 5 1 1 A 31 31 THR C C 31 176.940 175.865 1.075 1
1 400 . 5 1 1 A 31 31 THR CA C 31 66.078 66.472 -0.394 1
1 401 . 5 1 1 A 31 31 THR CB C 31 67.583 68.424 -0.841 1
1 403 . 5 1 1 A 31 31 THR N N 31 120.025 117.920 2.105 1
1 404 . 5 1 1 A 32 32 TYR H H 32 8.186 8.550 -0.364 1
1 405 . 5 1 1 A 32 32 TYR HA H 32 4.009 4.163 -0.154 1
1 410 . 5 1 1 A 32 32 TYR C C 32 180.166 177.395 2.771 1
1 411 . 5 1 1 A 32 32 TYR CA C 32 61.797 62.378 -0.581 1
1 412 . 5 1 1 A 32 32 TYR CB C 32 37.300 38.535 -1.235 1
1 415 . 5 1 1 A 32 32 TYR N N 32 123.636 122.744 0.892 1
1 416 . 5 1 1 A 33 33 ASN H H 33 8.838 8.053 0.785 1
1 417 . 5 1 1 A 33 33 ASN HA H 33 4.435 4.198 0.237 1
1 422 . 5 1 1 A 33 33 ASN C C 33 176.730 177.706 -0.976 1
1 423 . 5 1 1 A 33 33 ASN CA C 33 55.167 56.233 -1.066 1
1 424 . 5 1 1 A 33 33 ASN CB C 33 37.308 37.754 -0.446 1
1 425 . 5 1 1 A 33 33 ASN N N 33 122.000 117.907 4.093 1
1 427 . 5 1 1 A 34 34 ASP H H 34 7.510 8.076 -0.566 1
1 428 . 5 1 1 A 34 34 ASP HA H 34 4.587 4.436 0.151 1
1 431 . 5 1 1 A 34 34 ASP C C 34 177.045 176.317 0.728 1
1 432 . 5 1 1 A 34 34 ASP CA C 34 56.487 56.590 -0.103 1
1 433 . 5 1 1 A 34 34 ASP CB C 34 40.822 41.237 -0.415 1
1 434 . 5 1 1 A 34 34 ASP N N 34 119.832 118.428 1.404 1
1 435 . 5 1 1 A 35 35 GLY H H 35 7.412 7.589 -0.177 1
1 436 . 5 1 1 A 35 35 GLY HA2 H 35 3.997 4.020 -0.023 1
1 437 . 5 1 1 A 35 35 GLY HA3 H 35 3.997 4.078 -0.081 1
1 438 . 5 1 1 A 35 35 GLY C C 35 171.246 171.654 -0.408 1
1 439 . 5 1 1 A 35 35 GLY CA C 35 46.441 45.757 0.684 1
1 440 . 5 1 1 A 35 35 GLY N N 35 106.611 104.945 1.666 1
1 441 . 5 1 1 A 36 36 HIS H H 36 8.441 8.922 -0.481 1
1 442 . 5 1 1 A 36 36 HIS HA H 36 4.782 5.347 -0.565 1
1 447 . 5 1 1 A 36 36 HIS C C 36 172.800 173.482 -0.682 1
1 448 . 5 1 1 A 36 36 HIS CA C 36 53.425 54.413 -0.988 1
1 449 . 5 1 1 A 36 36 HIS CB C 36 31.978 31.862 0.116 1
1 452 . 5 1 1 A 36 36 HIS N N 36 117.929 115.816 2.113 1
1 455 . 5 1 1 A 37 37 ILE H H 37 8.087 8.876 -0.789 1
1 456 . 5 1 1 A 37 37 ILE HA H 37 3.223 3.515 -0.292 1
1 466 . 5 1 1 A 37 37 ILE C C 37 175.423 176.453 -1.030 1
1 467 . 5 1 1 A 37 37 ILE CA C 37 64.607 62.078 2.529 1
1 468 . 5 1 1 A 37 37 ILE CB C 37 37.269 37.389 -0.120 1
1 472 . 5 1 1 A 37 37 ILE N N 37 120.831 121.151 -0.320 1
1 473 . 5 1 1 A 38 38 MET H H 38 7.625 8.488 -0.863 1
1 474 . 5 1 1 A 38 38 MET HA H 38 3.953 4.509 -0.556 1
1 482 . 5 1 1 A 38 38 MET C C 38 174.632 176.997 -2.365 1
1 483 . 5 1 1 A 38 38 MET CA C 38 57.865 56.991 0.874 1
1 484 . 5 1 1 A 38 38 MET CB C 38 32.882 32.209 0.673 1
1 487 . 5 1 1 A 38 38 MET N N 38 128.683 126.120 2.563 1
1 488 . 5 1 1 A 39 39 GLY H H 39 8.795 9.220 -0.425 1
1 489 . 5 1 1 A 39 39 GLY HA2 H 39 3.727 4.019 -0.292 1
1 490 . 5 1 1 A 39 39 GLY HA3 H 39 4.345 4.025 0.320 1
1 491 . 5 1 1 A 39 39 GLY C C 39 175.442 174.768 0.674 1
1 492 . 5 1 1 A 39 39 GLY CA C 39 44.964 45.127 -0.163 1
1 493 . 5 1 1 A 39 39 GLY N N 39 113.814 114.425 -0.611 1
1 494 . 5 1 1 A 40 40 ALA H H 40 8.566 8.040 0.526 1
1 495 . 5 1 1 A 40 40 ALA HA H 40 4.656 4.526 0.130 1
1 499 . 5 1 1 A 40 40 ALA C C 40 177.459 177.259 0.200 1
1 500 . 5 1 1 A 40 40 ALA CA C 40 52.139 52.220 -0.081 1
1 501 . 5 1 1 A 40 40 ALA CB C 40 20.657 20.170 0.487 1
1 502 . 5 1 1 A 40 40 ALA N N 40 122.444 123.911 -1.467 1
1 503 . 5 1 1 A 41 41 MET H H 41 9.268 9.138 0.130 1
1 504 . 5 1 1 A 41 41 MET HA H 41 4.478 4.704 -0.226 1
1 512 . 5 1 1 A 41 41 MET C C 41 174.328 176.625 -2.297 1
1 513 . 5 1 1 A 41 41 MET CA C 41 54.330 54.247 0.083 1
1 514 . 5 1 1 A 41 41 MET CB C 41 34.473 33.889 0.584 1
1 517 . 5 1 1 A 41 41 MET N N 41 123.908 120.614 3.294 1
1 518 . 5 1 1 A 42 42 ALA H H 42 8.162 8.459 -0.297 1
1 519 . 5 1 1 A 42 42 ALA HA H 42 3.870 3.156 0.714 1
1 523 . 5 1 1 A 42 42 ALA C C 42 177.157 177.178 -0.021 1
1 524 . 5 1 1 A 42 42 ALA CA C 42 51.888 53.210 -1.322 1
1 525 . 5 1 1 A 42 42 ALA CB C 42 16.282 18.285 -2.003 1
1 526 . 5 1 1 A 42 42 ALA N N 42 126.936 123.889 3.047 1
1 527 . 5 1 1 A 43 43 MET H H 43 8.109 8.065 0.044 1
1 528 . 5 1 1 A 43 43 MET HA H 43 4.386 3.994 0.392 1
1 536 . 5 1 1 A 43 43 MET C C 43 168.952 174.956 -6.004 1
1 537 . 5 1 1 A 43 43 MET CA C 43 53.535 55.776 -2.241 1
1 538 . 5 1 1 A 43 43 MET CB C 43 34.346 31.188 3.158 1
1 541 . 5 1 1 A 43 43 MET N N 43 125.282 114.172 11.110 1
1 542 . 5 1 1 A 44 44 PRO HA H 44 3.949 4.462 -0.513 1
1 549 . 5 1 1 A 44 44 PRO C C 44 179.070 177.839 1.231 1
1 550 . 5 1 1 A 44 44 PRO CA C 44 62.524 62.586 -0.062 1
1 551 . 5 1 1 A 44 44 PRO CB C 44 32.611 32.324 0.287 1
1 554 . 5 1 1 A 45 45 ILE H H 45 7.764 8.550 -0.786 1
1 555 . 5 1 1 A 45 45 ILE HA H 45 3.851 3.922 -0.071 1
1 565 . 5 1 1 A 45 45 ILE C C 45 175.827 177.494 -1.667 1
1 566 . 5 1 1 A 45 45 ILE CA C 45 64.676 63.576 1.100 1
1 567 . 5 1 1 A 45 45 ILE CB C 45 38.991 37.882 1.109 1
1 571 . 5 1 1 A 45 45 ILE N N 45 121.655 124.241 -2.586 1
1 572 . 5 1 1 A 46 46 GLU H H 46 9.102 8.802 0.300 1
1 573 . 5 1 1 A 46 46 GLU HA H 46 4.056 4.053 0.003 1
1 578 . 5 1 1 A 46 46 GLU C C 46 176.499 177.788 -1.289 1
1 579 . 5 1 1 A 46 46 GLU CA C 46 59.349 59.320 0.029 1
1 580 . 5 1 1 A 46 46 GLU CB C 46 28.456 29.224 -0.768 1
1 582 . 5 1 1 A 46 46 GLU N N 46 121.004 119.680 1.324 1
1 583 . 5 1 1 A 47 47 ASP H H 47 7.729 7.664 0.065 1
1 584 . 5 1 1 A 47 47 ASP HA H 47 5.059 4.535 0.524 1
1 587 . 5 1 1 A 47 47 ASP C C 47 175.683 177.635 -1.952 1
1 588 . 5 1 1 A 47 47 ASP CA C 47 53.266 55.724 -2.458 1
1 589 . 5 1 1 A 47 47 ASP CB C 47 42.048 41.021 1.027 1
1 590 . 5 1 1 A 47 47 ASP N N 47 117.171 120.131 -2.960 1
1 591 . 5 1 1 A 48 48 LEU H H 48 7.193 8.124 -0.931 1
1 592 . 5 1 1 A 48 48 LEU HA H 48 3.690 3.878 -0.188 1
1 602 . 5 1 1 A 48 48 LEU C C 48 176.829 178.252 -1.423 1
1 603 . 5 1 1 A 48 48 LEU CA C 48 58.905 58.791 0.114 1
1 604 . 5 1 1 A 48 48 LEU CB C 48 43.334 41.864 1.470 1
1 608 . 5 1 1 A 48 48 LEU N N 48 121.314 121.914 -0.600 1
1 609 . 5 1 1 A 49 49 VAL H H 49 8.507 7.929 0.578 1
1 610 . 5 1 1 A 49 49 VAL HA H 49 3.290 3.460 -0.170 1
1 618 . 5 1 1 A 49 49 VAL C C 49 178.915 177.853 1.062 1
1 619 . 5 1 1 A 49 49 VAL CA C 49 67.886 67.007 0.879 1
1 620 . 5 1 1 A 49 49 VAL CB C 49 30.881 31.611 -0.730 1
1 623 . 5 1 1 A 49 49 VAL N N 49 116.698 119.199 -2.501 1
1 624 . 5 1 1 A 50 50 ASP H H 50 8.474 8.374 0.100 1
1 625 . 5 1 1 A 50 50 ASP HA H 50 4.396 4.273 0.123 1
1 628 . 5 1 1 A 50 50 ASP C C 50 178.890 178.377 0.513 1
1 629 . 5 1 1 A 50 50 ASP CA C 50 57.477 57.534 -0.057 1
1 630 . 5 1 1 A 50 50 ASP CB C 50 40.945 42.058 -1.113 1
1 631 . 5 1 1 A 50 50 ASP N N 50 121.526 120.083 1.443 1
1 632 . 5 1 1 A 51 51 ARG H H 51 8.334 8.329 0.005 1
1 633 . 5 1 1 A 51 51 ARG HA H 51 4.079 3.975 0.104 1
1 641 . 5 1 1 A 51 51 ARG C C 51 179.634 178.629 1.005 1
1 642 . 5 1 1 A 51 51 ARG CA C 51 58.378 59.531 -1.153 1
1 643 . 5 1 1 A 51 51 ARG CB C 51 29.692 30.205 -0.513 1
1 646 . 5 1 1 A 51 51 ARG N N 51 118.666 118.045 0.621 1
1 648 . 5 1 1 A 52 52 ALA H H 52 9.250 8.260 0.990 1
1 649 . 5 1 1 A 52 52 ALA HA H 52 3.752 4.164 -0.412 1
1 653 . 5 1 1 A 52 52 ALA C C 52 179.710 179.760 -0.050 1
1 654 . 5 1 1 A 52 52 ALA CA C 52 55.830 55.258 0.572 1
1 655 . 5 1 1 A 52 52 ALA CB C 52 18.164 18.438 -0.274 1
1 656 . 5 1 1 A 52 52 ALA N N 52 124.004 122.136 1.868 1
1 657 . 5 1 1 A 53 53 SER H H 53 8.392 8.245 0.147 1
1 658 . 5 1 1 A 53 53 SER HA H 53 4.457 4.235 0.222 1
1 661 . 5 1 1 A 53 53 SER C C 53 175.807 177.131 -1.324 1
1 662 . 5 1 1 A 53 53 SER CA C 53 62.214 61.291 0.923 1
1 663 . 5 1 1 A 53 53 SER CB C 53 62.805 63.242 -0.437 1
1 664 . 5 1 1 A 53 53 SER N N 53 111.154 113.337 -2.183 1
1 665 . 5 1 1 A 54 54 SER H H 54 7.570 7.687 -0.117 1
1 666 . 5 1 1 A 54 54 SER HA H 54 4.512 4.386 0.126 1
1 669 . 5 1 1 A 54 54 SER C C 54 175.210 175.074 0.136 1
1 670 . 5 1 1 A 54 54 SER CA C 54 59.567 60.446 -0.879 1
1 671 . 5 1 1 A 54 54 SER CB C 54 63.902 63.431 0.471 1
1 672 . 5 1 1 A 54 54 SER N N 54 112.745 115.153 -2.408 1
1 673 . 5 1 1 A 55 55 SER H H 55 7.501 7.729 -0.228 1
1 674 . 5 1 1 A 55 55 SER HA H 55 4.744 4.721 0.023 1
1 677 . 5 1 1 A 55 55 SER C C 55 173.106 172.857 0.249 1
1 678 . 5 1 1 A 55 55 SER CA C 55 59.905 58.044 1.861 1
1 679 . 5 1 1 A 55 55 SER CB C 55 65.881 64.843 1.038 1
1 680 . 5 1 1 A 55 55 SER N N 55 113.238 113.930 -0.692 1
1 681 . 5 1 1 A 56 56 LEU H H 56 8.320 7.817 0.503 1
1 682 . 5 1 1 A 56 56 LEU HA H 56 4.823 4.946 -0.123 1
1 692 . 5 1 1 A 56 56 LEU C C 56 175.441 174.797 0.644 1
1 693 . 5 1 1 A 56 56 LEU CA C 56 53.476 53.872 -0.396 1
1 694 . 5 1 1 A 56 56 LEU CB C 56 44.655 46.733 -2.078 1
1 698 . 5 1 1 A 56 56 LEU N N 56 122.043 122.500 -0.457 1
1 699 . 5 1 1 A 57 57 GLU H H 57 8.510 8.819 -0.309 1
1 700 . 5 1 1 A 57 57 GLU HA H 57 4.334 4.564 -0.230 1
1 705 . 5 1 1 A 57 57 GLU C C 57 177.869 176.907 0.962 1
1 706 . 5 1 1 A 57 57 GLU CA C 57 55.911 55.563 0.348 1
1 707 . 5 1 1 A 57 57 GLU CB C 57 30.193 31.359 -1.166 1
1 709 . 5 1 1 A 57 57 GLU N N 57 121.479 122.021 -0.542 1
1 710 . 5 1 1 A 58 58 LYS H H 58 8.513 8.959 -0.446 1
1 711 . 5 1 1 A 58 58 LYS HA H 58 3.811 3.824 -0.013 1
1 720 . 5 1 1 A 58 58 LYS C C 58 178.345 178.074 0.271 1
1 721 . 5 1 1 A 58 58 LYS CA C 58 58.526 58.541 -0.015 1
1 722 . 5 1 1 A 58 58 LYS CB C 58 31.265 31.716 -0.451 1
1 726 . 5 1 1 A 58 58 LYS N N 58 120.689 127.349 -6.660 1
1 727 . 5 1 1 A 59 59 SER H H 59 7.912 7.629 0.283 1
1 728 . 5 1 1 A 59 59 SER HA H 59 4.437 4.583 -0.146 1
1 731 . 5 1 1 A 59 59 SER C C 59 174.216 174.431 -0.215 1
1 732 . 5 1 1 A 59 59 SER CA C 59 57.862 59.352 -1.490 1
1 733 . 5 1 1 A 59 59 SER CB C 59 63.682 63.917 -0.235 1
1 734 . 5 1 1 A 59 59 SER N N 59 111.530 113.151 -1.621 1
1 735 . 5 1 1 A 60 60 ARG H H 60 7.477 7.611 -0.134 1
1 736 . 5 1 1 A 60 60 ARG HA H 60 4.199 4.148 0.051 1
1 744 . 5 1 1 A 60 60 ARG C C 60 174.880 175.722 -0.842 1
1 745 . 5 1 1 A 60 60 ARG CA C 60 55.828 56.300 -0.472 1
1 746 . 5 1 1 A 60 60 ARG CB C 60 31.971 30.373 1.598 1
1 749 . 5 1 1 A 60 60 ARG N N 60 125.535 122.877 2.658 1
1 751 . 5 1 1 A 61 61 ASP H H 61 8.540 8.517 0.023 1
1 752 . 5 1 1 A 61 61 ASP HA H 61 4.903 4.859 0.044 1
1 755 . 5 1 1 A 61 61 ASP C C 61 175.569 175.503 0.066 1
1 756 . 5 1 1 A 61 61 ASP CA C 61 55.438 54.268 1.170 1
1 757 . 5 1 1 A 61 61 ASP CB C 61 40.847 40.020 0.827 1
1 758 . 5 1 1 A 61 61 ASP N N 61 126.761 125.407 1.354 1
1 759 . 5 1 1 A 62 62 ILE H H 62 8.630 9.029 -0.399 1
1 760 . 5 1 1 A 62 62 ILE HA H 62 5.038 5.225 -0.187 1
1 770 . 5 1 1 A 62 62 ILE C C 62 174.444 174.622 -0.178 1
1 771 . 5 1 1 A 62 62 ILE CA C 62 59.799 60.882 -1.083 1
1 772 . 5 1 1 A 62 62 ILE CB C 62 42.130 39.137 2.993 1
1 776 . 5 1 1 A 62 62 ILE N N 62 125.212 125.046 0.166 1
1 777 . 5 1 1 A 63 63 TYR H H 63 9.026 9.352 -0.326 1
1 778 . 5 1 1 A 63 63 TYR HA H 63 5.230 5.440 -0.210 1
1 785 . 5 1 1 A 63 63 TYR C C 63 175.088 174.466 0.622 1
1 786 . 5 1 1 A 63 63 TYR CA C 63 56.143 56.999 -0.856 1
1 787 . 5 1 1 A 63 63 TYR CB C 63 41.302 39.769 1.533 1
1 792 . 5 1 1 A 63 63 TYR N N 63 125.467 127.641 -2.174 1
1 793 . 5 1 1 A 64 64 VAL H H 64 8.523 9.283 -0.760 1
1 794 . 5 1 1 A 64 64 VAL HA H 64 5.106 4.782 0.324 1
1 802 . 5 1 1 A 64 64 VAL C C 64 174.072 175.220 -1.148 1
1 803 . 5 1 1 A 64 64 VAL CA C 64 60.302 61.380 -1.078 1
1 804 . 5 1 1 A 64 64 VAL CB C 64 35.121 32.889 2.232 1
1 807 . 5 1 1 A 64 64 VAL N N 64 121.014 123.753 -2.739 1
1 808 . 5 1 1 A 65 65 TYR H H 65 8.832 8.955 -0.123 1
1 809 . 5 1 1 A 65 65 TYR HA H 65 5.289 5.852 -0.563 1
1 816 . 5 1 1 A 65 65 TYR C C 65 172.116 173.753 -1.637 1
1 817 . 5 1 1 A 65 65 TYR CA C 65 56.777 55.019 1.758 1
1 818 . 5 1 1 A 65 65 TYR CB C 65 42.528 41.916 0.612 1
1 819 . 5 1 1 A 65 65 TYR N N 65 120.331 123.587 -3.256 1
1 820 . 5 1 1 A 66 66 GLY H H 66 8.278 8.790 -0.512 1
1 821 . 5 1 1 A 66 66 GLY HA2 H 66 3.449 4.074 -0.625 1
1 822 . 5 1 1 A 66 66 GLY HA3 H 66 4.408 4.165 0.243 1
1 823 . 5 1 1 A 66 66 GLY C C 66 173.636 174.547 -0.911 1
1 824 . 5 1 1 A 66 66 GLY CA C 66 43.793 44.039 -0.246 1
1 825 . 5 1 1 A 66 66 GLY N N 66 108.458 108.820 -0.362 1
1 826 . 5 1 1 A 67 67 ALA H H 67 9.485 8.685 0.800 1
1 827 . 5 1 1 A 67 67 ALA HA H 67 4.331 4.405 -0.074 1
1 831 . 5 1 1 A 67 67 ALA C C 67 176.363 176.895 -0.532 1
1 832 . 5 1 1 A 67 67 ALA CA C 67 52.848 52.653 0.195 1
1 833 . 5 1 1 A 67 67 ALA CB C 67 18.178 20.016 -1.838 1
1 834 . 5 1 1 A 67 67 ALA N N 67 126.325 120.875 5.450 1
1 835 . 5 1 1 A 68 68 GLY H H 68 7.553 7.434 0.119 1
1 836 . 5 1 1 A 68 68 GLY HA2 H 68 4.270 4.026 0.244 1
1 837 . 5 1 1 A 68 68 GLY HA3 H 68 4.209 4.034 0.175 1
1 838 . 5 1 1 A 68 68 GLY C C 68 173.695 174.331 -0.636 1
1 839 . 5 1 1 A 68 68 GLY CA C 68 44.112 45.541 -1.429 1
1 840 . 5 1 1 A 68 68 GLY N N 68 106.057 105.181 0.876 1
1 841 . 5 1 1 A 69 69 ASP H H 69 8.904 9.280 -0.376 1
1 842 . 5 1 1 A 69 69 ASP HA H 69 4.408 4.428 -0.020 1
1 845 . 5 1 1 A 69 69 ASP C C 69 178.531 178.296 0.235 1
1 846 . 5 1 1 A 69 69 ASP CA C 69 57.592 57.218 0.374 1
1 847 . 5 1 1 A 69 69 ASP CB C 69 40.198 40.143 0.055 1
1 848 . 5 1 1 A 69 69 ASP N N 69 121.078 121.099 -0.021 1
1 849 . 5 1 1 A 70 70 GLU H H 70 8.905 8.469 0.436 1
1 850 . 5 1 1 A 70 70 GLU HA H 70 4.110 3.985 0.125 1
1 855 . 5 1 1 A 70 70 GLU C C 70 178.745 178.979 -0.234 1
1 856 . 5 1 1 A 70 70 GLU CA C 70 59.956 59.757 0.199 1
1 857 . 5 1 1 A 70 70 GLU CB C 70 28.534 29.141 -0.607 1
1 859 . 5 1 1 A 70 70 GLU N N 70 120.998 119.645 1.353 1
1 860 . 5 1 1 A 71 71 GLN H H 71 8.453 7.824 0.629 1
1 861 . 5 1 1 A 71 71 GLN HA H 71 4.106 4.054 0.052 1
1 868 . 5 1 1 A 71 71 GLN C C 71 178.164 178.379 -0.215 1
1 869 . 5 1 1 A 71 71 GLN CA C 71 59.350 58.584 0.766 1
1 870 . 5 1 1 A 71 71 GLN CB C 71 29.682 28.082 1.600 1
1 872 . 5 1 1 A 71 71 GLN N N 71 121.273 118.594 2.679 1
1 874 . 5 1 1 A 72 72 THR H H 72 8.267 8.085 0.182 1
1 875 . 5 1 1 A 72 72 THR HA H 72 3.524 4.012 -0.488 1
1 880 . 5 1 1 A 72 72 THR C C 72 175.546 176.543 -0.997 1
1 881 . 5 1 1 A 72 72 THR CA C 72 67.395 65.413 1.982 1
1 882 . 5 1 1 A 72 72 THR CB C 72 68.145 68.124 0.021 1
1 884 . 5 1 1 A 72 72 THR N N 72 115.641 115.287 0.354 1
1 885 . 5 1 1 A 73 73 SER H H 73 8.265 8.242 0.023 1
1 886 . 5 1 1 A 73 73 SER HA H 73 4.029 4.022 0.007 1
1 889 . 5 1 1 A 73 73 SER C C 73 176.825 177.519 -0.694 1
1 890 . 5 1 1 A 73 73 SER CA C 73 61.746 61.546 0.200 1
1 891 . 5 1 1 A 73 73 SER CB C 73 62.746 62.839 -0.093 1
1 892 . 5 1 1 A 73 73 SER N N 73 115.814 117.040 -1.226 1
1 893 . 5 1 1 A 74 74 GLN H H 74 8.119 8.194 -0.075 1
1 894 . 5 1 1 A 74 74 GLN HA H 74 4.090 4.018 0.072 1
1 901 . 5 1 1 A 74 74 GLN C C 74 178.630 177.970 0.660 1
1 902 . 5 1 1 A 74 74 GLN CA C 74 58.903 58.232 0.671 1
1 903 . 5 1 1 A 74 74 GLN CB C 74 27.943 28.884 -0.941 1
1 905 . 5 1 1 A 74 74 GLN N N 74 121.446 120.807 0.639 1
1 907 . 5 1 1 A 75 75 ALA H H 75 8.210 7.961 0.249 1
1 908 . 5 1 1 A 75 75 ALA HA H 75 3.879 4.040 -0.161 1
1 912 . 5 1 1 A 75 75 ALA C C 75 178.843 179.676 -0.833 1
1 913 . 5 1 1 A 75 75 ALA CA C 75 54.959 55.044 -0.085 1
1 914 . 5 1 1 A 75 75 ALA CB C 75 20.226 18.470 1.756 1
1 915 . 5 1 1 A 75 75 ALA N N 75 121.007 121.248 -0.241 1
1 916 . 5 1 1 A 76 76 VAL H H 76 8.257 8.216 0.041 1
1 917 . 5 1 1 A 76 76 VAL HA H 76 3.472 3.353 0.119 1
1 925 . 5 1 1 A 76 76 VAL C C 76 177.639 177.818 -0.179 1
1 926 . 5 1 1 A 76 76 VAL CA C 76 67.080 66.624 0.456 1
1 927 . 5 1 1 A 76 76 VAL CB C 76 30.945 31.471 -0.526 1
1 930 . 5 1 1 A 76 76 VAL N N 76 116.281 118.239 -1.958 1
1 931 . 5 1 1 A 77 77 ASN H H 77 8.190 8.469 -0.279 1
1 932 . 5 1 1 A 77 77 ASN HA H 77 4.430 4.368 0.062 1
1 937 . 5 1 1 A 77 77 ASN C C 77 178.638 177.918 0.720 1
1 938 . 5 1 1 A 77 77 ASN CA C 77 56.666 56.652 0.014 1
1 939 . 5 1 1 A 77 77 ASN CB C 77 37.950 39.536 -1.586 1
1 940 . 5 1 1 A 77 77 ASN N N 77 118.786 118.953 -0.167 1
1 942 . 5 1 1 A 78 78 LEU H H 78 8.222 7.975 0.247 1
1 943 . 5 1 1 A 78 78 LEU HA H 78 4.045 4.042 0.003 1
1 953 . 5 1 1 A 78 78 LEU C C 78 180.246 179.793 0.453 1
1 954 . 5 1 1 A 78 78 LEU CA C 78 57.926 58.063 -0.137 1
1 955 . 5 1 1 A 78 78 LEU CB C 78 41.892 41.303 0.589 1
1 959 . 5 1 1 A 78 78 LEU N N 78 121.759 119.890 1.869 1
1 960 . 5 1 1 A 79 79 LEU H H 79 7.887 7.877 0.010 1
1 961 . 5 1 1 A 79 79 LEU HA H 79 4.051 3.825 0.226 1
1 971 . 5 1 1 A 79 79 LEU C C 79 179.804 179.443 0.361 1
1 972 . 5 1 1 A 79 79 LEU CA C 79 57.788 57.899 -0.111 1
1 973 . 5 1 1 A 79 79 LEU CB C 79 41.616 41.118 0.498 1
1 977 . 5 1 1 A 79 79 LEU N N 79 118.127 120.018 -1.891 1
1 978 . 5 1 1 A 80 80 ARG H H 80 8.942 8.433 0.509 1
1 979 . 5 1 1 A 80 80 ARG HA H 80 4.516 4.329 0.187 1
1 987 . 5 1 1 A 80 80 ARG C C 80 181.546 178.518 3.028 1
1 988 . 5 1 1 A 80 80 ARG CA C 80 60.006 58.725 1.281 1
1 989 . 5 1 1 A 80 80 ARG CB C 80 29.510 29.908 -0.398 1
1 992 . 5 1 1 A 80 80 ARG N N 80 120.974 119.055 1.919 1
1 994 . 5 1 1 A 81 81 SER H H 81 8.394 8.167 0.227 1
1 995 . 5 1 1 A 81 81 SER HA H 81 4.307 4.144 0.163 1
1 998 . 5 1 1 A 81 81 SER C C 81 174.601 176.793 -2.192 1
1 999 . 5 1 1 A 81 81 SER CA C 81 61.570 61.593 -0.023 1
1 1000 . 5 1 1 A 81 81 SER CB C 81 62.832 62.915 -0.083 1
1 1001 . 5 1 1 A 81 81 SER N N 81 116.329 115.207 1.122 1
1 1002 . 5 1 1 A 82 82 ALA H H 82 7.507 7.616 -0.109 1
1 1003 . 5 1 1 A 82 82 ALA HA H 82 4.546 4.376 0.170 1
1 1007 . 5 1 1 A 82 82 ALA C C 82 176.449 177.906 -1.457 1
1 1008 . 5 1 1 A 82 82 ALA CA C 82 51.759 52.155 -0.396 1
1 1009 . 5 1 1 A 82 82 ALA CB C 82 18.850 19.303 -0.453 1
1 1010 . 5 1 1 A 82 82 ALA N N 82 122.576 119.505 3.071 1
1 1011 . 5 1 1 A 83 83 GLY H H 83 7.678 7.884 -0.206 1
1 1012 . 5 1 1 A 83 83 GLY HA2 H 83 3.623 3.910 -0.287 1
1 1013 . 5 1 1 A 83 83 GLY HA3 H 83 4.217 3.960 0.257 1
1 1014 . 5 1 1 A 83 83 GLY C C 83 174.557 174.842 -0.285 1
1 1015 . 5 1 1 A 83 83 GLY CA C 83 44.741 45.471 -0.730 1
1 1016 . 5 1 1 A 83 83 GLY N N 83 104.117 107.433 -3.316 1
1 1017 . 5 1 1 A 84 84 PHE H H 84 7.923 8.078 -0.155 1
1 1018 . 5 1 1 A 84 84 PHE HA H 84 4.254 4.457 -0.203 1
1 1026 . 5 1 1 A 84 84 PHE C C 84 176.479 176.027 0.452 1
1 1027 . 5 1 1 A 84 84 PHE CA C 84 60.127 59.279 0.848 1
1 1028 . 5 1 1 A 84 84 PHE CB C 84 36.999 38.664 -1.665 1
1 1034 . 5 1 1 A 84 84 PHE N N 84 119.861 119.876 -0.015 1
1 1035 . 5 1 1 A 85 85 GLU H H 85 7.730 9.187 -1.457 1
1 1036 . 5 1 1 A 85 85 GLU HA H 85 3.965 4.334 -0.369 1
1 1041 . 5 1 1 A 85 85 GLU C C 85 176.966 177.004 -0.038 1
1 1042 . 5 1 1 A 85 85 GLU CA C 85 57.841 58.953 -1.112 1
1 1043 . 5 1 1 A 85 85 GLU CB C 85 32.054 30.495 1.559 1
1 1045 . 5 1 1 A 85 85 GLU N N 85 122.200 123.680 -1.480 1
1 1046 . 5 1 1 A 86 86 HIS H H 86 9.957 7.903 2.054 1
1 1047 . 5 1 1 A 86 86 HIS HA H 86 4.988 4.853 0.135 1
1 1052 . 5 1 1 A 86 86 HIS C C 86 171.400 174.268 -2.868 1
1 1053 . 5 1 1 A 86 86 HIS CA C 86 53.063 54.974 -1.911 1
1 1054 . 5 1 1 A 86 86 HIS CB C 86 29.823 28.706 1.117 1
1 1057 . 5 1 1 A 86 86 HIS N N 86 122.245 117.547 4.698 1
1 1060 . 5 1 1 A 87 87 VAL H H 87 8.233 8.831 -0.598 1
1 1061 . 5 1 1 A 87 87 VAL HA H 87 4.934 4.915 0.019 1
1 1069 . 5 1 1 A 87 87 VAL C C 87 175.510 173.882 1.628 1
1 1070 . 5 1 1 A 87 87 VAL CA C 87 59.972 60.507 -0.535 1
1 1071 . 5 1 1 A 87 87 VAL CB C 87 33.883 35.702 -1.819 1
1 1074 . 5 1 1 A 87 87 VAL N N 87 120.946 124.521 -3.575 1
1 1075 . 5 1 1 A 88 88 SER H H 88 8.968 8.907 0.061 1
1 1076 . 5 1 1 A 88 88 SER HA H 88 4.869 5.381 -0.512 1
1 1079 . 5 1 1 A 88 88 SER C C 88 174.093 173.074 1.019 1
1 1080 . 5 1 1 A 88 88 SER CA C 88 55.935 56.485 -0.550 1
1 1081 . 5 1 1 A 88 88 SER CB C 88 66.077 64.995 1.082 1
1 1082 . 5 1 1 A 88 88 SER N N 88 121.913 122.484 -0.571 1
1 1083 . 5 1 1 A 89 89 GLU H H 89 8.628 8.429 0.199 1
1 1084 . 5 1 1 A 89 89 GLU HA H 89 4.233 4.834 -0.601 1
1 1089 . 5 1 1 A 89 89 GLU C C 89 175.212 175.502 -0.290 1
1 1090 . 5 1 1 A 89 89 GLU CA C 89 55.728 55.788 -0.060 1
1 1091 . 5 1 1 A 89 89 GLU CB C 89 31.640 30.337 1.303 1
1 1093 . 5 1 1 A 89 89 GLU N N 89 125.288 123.932 1.356 1
1 1094 . 5 1 1 A 90 90 LEU H H 90 8.727 8.933 -0.206 1
1 1095 . 5 1 1 A 90 90 LEU HA H 90 4.829 5.041 -0.212 1
1 1105 . 5 1 1 A 90 90 LEU C C 90 175.893 176.708 -0.815 1
1 1106 . 5 1 1 A 90 90 LEU CA C 90 53.771 54.622 -0.851 1
1 1107 . 5 1 1 A 90 90 LEU CB C 90 41.511 44.054 -2.543 1
1 1111 . 5 1 1 A 90 90 LEU N N 90 125.766 126.640 -0.874 1
1 1112 . 5 1 1 A 91 91 LYS H H 91 8.715 8.994 -0.279 1
1 1113 . 5 1 1 A 91 91 LYS HA H 91 4.164 4.100 0.064 1
1 1122 . 5 1 1 A 91 91 LYS C C 91 177.680 177.363 0.317 1
1 1123 . 5 1 1 A 91 91 LYS CA C 91 57.796 57.980 -0.184 1
1 1124 . 5 1 1 A 91 91 LYS CB C 91 31.705 32.361 -0.656 1
1 1128 . 5 1 1 A 91 91 LYS N N 91 131.405 126.560 4.845 1
1 1129 . 5 1 1 A 92 92 GLY H H 92 9.408 8.467 0.941 1
1 1130 . 5 1 1 A 92 92 GLY HA2 H 92 3.828 3.967 -0.139 1
1 1131 . 5 1 1 A 92 92 GLY HA3 H 92 4.268 3.967 0.301 1
1 1132 . 5 1 1 A 92 92 GLY C C 92 175.634 174.573 1.061 1
1 1133 . 5 1 1 A 92 92 GLY CA C 92 46.001 45.203 0.798 1
1 1134 . 5 1 1 A 92 92 GLY N N 92 115.262 112.059 3.203 1
1 1135 . 5 1 1 A 93 93 GLY H H 93 7.616 8.687 -1.071 1
1 1136 . 5 1 1 A 93 93 GLY HA2 H 93 3.429 4.090 -0.661 1
1 1137 . 5 1 1 A 93 93 GLY HA3 H 93 4.276 4.163 0.113 1
1 1138 . 5 1 1 A 93 93 GLY C C 93 172.357 174.920 -2.563 1
1 1139 . 5 1 1 A 93 93 GLY CA C 93 46.436 46.043 0.393 1
1 1140 . 5 1 1 A 93 93 GLY N N 93 106.201 108.300 -2.099 1
1 1141 . 5 1 1 A 94 94 LEU H H 94 8.854 9.032 -0.178 1
1 1142 . 5 1 1 A 94 94 LEU HA H 94 3.643 4.192 -0.549 1
1 1152 . 5 1 1 A 94 94 LEU C C 94 178.092 178.681 -0.589 1
1 1153 . 5 1 1 A 94 94 LEU CA C 94 56.966 57.462 -0.496 1
1 1154 . 5 1 1 A 94 94 LEU CB C 94 41.937 41.743 0.194 1
1 1158 . 5 1 1 A 94 94 LEU N N 94 124.279 125.611 -1.332 1
1 1159 . 5 1 1 A 95 95 ALA H H 95 8.683 8.261 0.422 1
1 1160 . 5 1 1 A 95 95 ALA HA H 95 4.061 4.021 0.040 1
1 1164 . 5 1 1 A 95 95 ALA C C 95 180.877 179.816 1.061 1
1 1165 . 5 1 1 A 95 95 ALA CA C 95 55.406 55.611 -0.205 1
1 1166 . 5 1 1 A 95 95 ALA CB C 95 18.053 17.898 0.155 1
1 1167 . 5 1 1 A 95 95 ALA N N 95 120.253 120.743 -0.490 1
1 1168 . 5 1 1 A 96 96 ALA H H 96 7.249 7.933 -0.684 1
1 1169 . 5 1 1 A 96 96 ALA HA H 96 4.132 4.075 0.057 1
1 1173 . 5 1 1 A 96 96 ALA C C 96 179.350 179.447 -0.097 1
1 1174 . 5 1 1 A 96 96 ALA CA C 96 54.429 54.880 -0.451 1
1 1175 . 5 1 1 A 96 96 ALA CB C 96 18.580 18.267 0.313 1
1 1176 . 5 1 1 A 96 96 ALA N N 96 121.080 120.020 1.060 1
1 1177 . 5 1 1 A 97 97 TRP H H 97 7.636 8.165 -0.529 1
1 1178 . 5 1 1 A 97 97 TRP HA H 97 4.051 4.080 -0.029 1
1 1187 . 5 1 1 A 97 97 TRP C C 97 178.223 178.586 -0.363 1
1 1188 . 5 1 1 A 97 97 TRP CA C 97 59.343 61.654 -2.311 1
1 1189 . 5 1 1 A 97 97 TRP CB C 97 29.734 29.718 0.016 1
1 1195 . 5 1 1 A 97 97 TRP N N 97 119.015 121.021 -2.006 1
1 1197 . 5 1 1 A 98 98 LYS H H 98 8.764 8.607 0.157 1
1 1198 . 5 1 1 A 98 98 LYS HA H 98 3.886 4.097 -0.211 1
1 1207 . 5 1 1 A 98 98 LYS C C 98 180.503 179.289 1.214 1
1 1208 . 5 1 1 A 98 98 LYS CA C 98 59.365 59.301 0.064 1
1 1209 . 5 1 1 A 98 98 LYS CB C 98 31.899 32.410 -0.511 1
1 1213 . 5 1 1 A 98 98 LYS N N 98 117.855 118.751 -0.896 1
1 1214 . 5 1 1 A 99 99 ALA H H 99 7.802 8.393 -0.591 1
1 1215 . 5 1 1 A 99 99 ALA HA H 99 4.139 4.127 0.012 1
1 1219 . 5 1 1 A 99 99 ALA C C 99 179.188 179.511 -0.323 1
1 1220 . 5 1 1 A 99 99 ALA CA C 99 54.521 54.947 -0.426 1
1 1221 . 5 1 1 A 99 99 ALA CB C 99 18.016 18.305 -0.289 1
1 1222 . 5 1 1 A 99 99 ALA N N 99 121.263 121.862 -0.599 1
1 1223 . 5 1 1 A 100 100 ILE H H 100 6.803 7.596 -0.793 1
1 1224 . 5 1 1 A 100 100 ILE HA H 100 4.509 4.070 0.439 1
1 1234 . 5 1 1 A 100 100 ILE C C 100 175.810 176.377 -0.567 1
1 1235 . 5 1 1 A 100 100 ILE CA C 100 59.964 60.836 -0.872 1
1 1236 . 5 1 1 A 100 100 ILE CB C 100 37.866 37.574 0.292 1
1 1240 . 5 1 1 A 100 100 ILE N N 100 107.978 111.197 -3.219 1
1 1241 . 5 1 1 A 101 101 GLY H H 101 7.741 7.940 -0.199 1
1 1242 . 5 1 1 A 101 101 GLY HA2 H 101 3.618 3.918 -0.300 1
1 1243 . 5 1 1 A 101 101 GLY HA3 H 101 3.866 3.927 -0.061 1
1 1244 . 5 1 1 A 101 101 GLY C C 101 175.319 175.263 0.056 1
1 1245 . 5 1 1 A 101 101 GLY CA C 101 45.444 46.501 -1.057 1
1 1246 . 5 1 1 A 101 101 GLY N N 101 109.732 112.081 -2.349 1
1 1247 . 5 1 1 A 102 102 GLY H H 102 7.823 8.074 -0.251 1
1 1248 . 5 1 1 A 102 102 GLY HA2 H 102 2.942 3.032 -0.090 1
1 1249 . 5 1 1 A 102 102 GLY HA3 H 102 2.942 3.663 -0.721 1
1 1250 . 5 1 1 A 102 102 GLY C C 102 171.578 172.881 -1.303 1
1 1251 . 5 1 1 A 102 102 GLY CA C 102 41.964 44.292 -2.328 1
1 1252 . 5 1 1 A 102 102 GLY N N 102 108.608 107.152 1.456 1
1 1253 . 5 1 1 A 103 103 PRO HA H 103 4.643 4.686 -0.043 1
1 1260 . 5 1 1 A 103 103 PRO C C 103 178.778 176.670 2.108 1
1 1261 . 5 1 1 A 103 103 PRO CA C 103 62.843 63.202 -0.359 1
1 1262 . 5 1 1 A 103 103 PRO CB C 103 32.263 31.854 0.409 1
1 1265 . 5 1 1 A 104 104 THR H H 104 8.760 8.489 0.271 1
1 1266 . 5 1 1 A 104 104 THR HA H 104 5.017 5.136 -0.119 1
1 1271 . 5 1 1 A 104 104 THR C C 104 172.498 173.318 -0.820 1
1 1272 . 5 1 1 A 104 104 THR CA C 104 59.729 59.420 0.309 1
1 1273 . 5 1 1 A 104 104 THR CB C 104 72.479 72.086 0.393 1
1 1275 . 5 1 1 A 104 104 THR N N 104 116.086 112.764 3.322 1
1 1276 . 5 1 1 A 105 105 GLU H H 105 8.267 8.795 -0.528 1
1 1277 . 5 1 1 A 105 105 GLU HA H 105 4.499 4.946 -0.447 1
1 1282 . 5 1 1 A 105 105 GLU C C 105 173.848 175.036 -1.188 1
1 1283 . 5 1 1 A 105 105 GLU CA C 105 54.647 54.589 0.058 1
1 1284 . 5 1 1 A 105 105 GLU CB C 105 34.227 32.236 1.991 1
1 1286 . 5 1 1 A 105 105 GLU N N 105 117.663 120.631 -2.968 1
1 1287 . 5 1 1 A 106 106 GLY H H 106 8.207 8.219 -0.012 1
1 1288 . 5 1 1 A 106 106 GLY HA2 H 106 3.873 4.106 -0.233 1
1 1289 . 5 1 1 A 106 106 GLY HA3 H 106 3.873 4.176 -0.303 1
1 1290 . 5 1 1 A 106 106 GLY C C 106 173.052 174.115 -1.063 1
1 1291 . 5 1 1 A 106 106 GLY CA C 106 44.313 44.425 -0.112 1
1 1292 . 5 1 1 A 106 106 GLY N N 106 108.896 107.953 0.943 1
1 1293 . 5 1 1 A 107 107 ILE H H 107 8.333 9.145 -0.812 1
1 1294 . 5 1 1 A 107 107 ILE HA H 107 4.110 4.137 -0.027 1
1 1304 . 5 1 1 A 107 107 ILE C C 107 176.773 177.872 -1.099 1
1 1305 . 5 1 1 A 107 107 ILE CA C 107 62.404 63.536 -1.132 1
1 1306 . 5 1 1 A 107 107 ILE CB C 107 38.826 38.177 0.649 1
1 1310 . 5 1 1 A 107 107 ILE N N 107 119.410 119.553 -0.143 1
1 1311 . 5 1 1 A 108 108 ILE H H 108 8.369 7.712 0.657 1
1 1312 . 5 1 1 A 108 108 ILE HA H 108 4.167 3.739 0.428 1
1 1322 . 5 1 1 A 108 108 ILE C C 108 176.821 178.796 -1.975 1
1 1323 . 5 1 1 A 108 108 ILE CA C 108 61.060 64.277 -3.217 1
1 1324 . 5 1 1 A 108 108 ILE CB C 108 37.984 36.415 1.569 1
1 1328 . 5 1 1 A 108 108 ILE N N 108 122.390 120.516 1.874 1
1 1329 . 5 1 1 A 109 109 GLU H H 109 8.127 7.948 0.179 1
1 1330 . 5 1 1 A 109 109 GLU HA H 109 4.218 4.238 -0.020 1
1 1335 . 5 1 1 A 109 109 GLU C C 109 176.438 177.480 -1.042 1
1 1336 . 5 1 1 A 109 109 GLU CA C 109 56.548 58.664 -2.116 1
1 1337 . 5 1 1 A 109 109 GLU CB C 109 30.178 29.138 1.040 1
1 1339 . 5 1 1 A 109 109 GLU N N 109 123.739 121.512 2.227 1
1 1340 . 5 1 1 A 110 110 SER H H 110 8.291 7.814 0.477 1
1 1341 . 5 1 1 A 110 110 SER HA H 110 4.446 4.467 -0.021 1
1 1344 . 5 1 1 A 110 110 SER C C 110 174.330 174.159 0.171 1
1 1345 . 5 1 1 A 110 110 SER CA C 110 58.252 58.865 -0.613 1
1 1346 . 5 1 1 A 110 110 SER CB C 110 63.598 63.848 -0.250 1
1 1347 . 5 1 1 A 110 110 SER N N 110 116.242 114.468 1.774 1
1 1348 . 5 1 1 A 111 111 ARG H H 111 8.238 7.639 0.599 1
1 1349 . 5 1 1 A 111 111 ARG HA H 111 4.426 4.902 -0.476 1
1 1357 . 5 1 1 A 111 111 ARG C C 111 176.113 174.489 1.624 1
1 1358 . 5 1 1 A 111 111 ARG CA C 111 55.848 54.626 1.222 1
1 1359 . 5 1 1 A 111 111 ARG CB C 111 30.755 33.137 -2.382 1
1 1362 . 5 1 1 A 111 111 ARG N N 111 122.827 118.224 4.603 1
1 1364 . 5 1 1 A 112 112 THR H H 112 8.229 8.593 -0.364 1
1 1365 . 5 1 1 A 112 112 THR HA H 112 4.573 4.910 -0.337 1
1 1370 . 5 1 1 A 112 112 THR C C 112 172.790 172.693 0.097 1
1 1371 . 5 1 1 A 112 112 THR CA C 112 59.716 58.516 1.200 1
1 1372 . 5 1 1 A 112 112 THR CB C 112 69.503 69.689 -0.186 1
1 1374 . 5 1 1 A 112 112 THR N N 112 117.863 111.797 6.066 1
1 1375 . 5 1 1 A 113 113 PRO HA H 113 4.388 4.871 -0.483 1
1 1382 . 5 1 1 A 113 113 PRO C C 113 176.605 175.737 0.868 1
1 1383 . 5 1 1 A 113 113 PRO CA C 113 63.131 62.227 0.904 1
1 1384 . 5 1 1 A 113 113 PRO CB C 113 31.931 31.788 0.143 1
1 1387 . 5 1 1 A 114 114 ALA H H 114 8.422 8.454 -0.032 1
1 1388 . 5 1 1 A 114 114 ALA HA H 114 4.284 4.919 -0.635 1
1 1392 . 5 1 1 A 114 114 ALA C C 114 178.251 177.381 0.870 1
1 1393 . 5 1 1 A 114 114 ALA CA C 114 52.518 50.924 1.594 1
1 1394 . 5 1 1 A 114 114 ALA CB C 114 19.131 22.279 -3.148 1
1 1395 . 5 1 1 A 114 114 ALA N N 114 124.466 126.701 -2.235 1
1 1396 . 5 1 1 A 115 115 GLY H H 115 8.380 8.527 -0.147 1
1 1397 . 5 1 1 A 115 115 GLY HA2 H 115 3.956 4.040 -0.084 1
1 1398 . 5 1 1 A 115 115 GLY HA3 H 115 3.934 4.041 -0.107 1
1 1399 . 5 1 1 A 115 115 GLY C C 115 174.020 173.739 0.281 1
1 1400 . 5 1 1 A 115 115 GLY CA C 115 45.095 46.113 -1.018 1
1 1401 . 5 1 1 A 115 115 GLY N N 115 108.587 109.198 -0.611 1
1 1402 . 5 1 1 A 116 116 ALA H H 116 8.127 7.885 0.242 1
1 1403 . 5 1 1 A 116 116 ALA HA H 116 4.292 4.969 -0.677 1
1 1407 . 5 1 1 A 116 116 ALA C C 116 177.565 175.238 2.327 1
1 1408 . 5 1 1 A 116 116 ALA CA C 116 52.504 51.838 0.666 1
1 1409 . 5 1 1 A 116 116 ALA CB C 116 19.187 20.742 -1.555 1
1 1410 . 5 1 1 A 116 116 ALA N N 116 123.523 122.250 1.273 1
1 1411 . 5 1 1 A 117 117 ASP H H 117 8.316 8.799 -0.483 1
1 1412 . 5 1 1 A 117 117 ASP HA H 117 4.555 5.100 -0.545 1
1 1415 . 5 1 1 A 117 117 ASP C C 117 175.899 174.117 1.782 1
1 1416 . 5 1 1 A 117 117 ASP CA C 117 54.254 54.095 0.159 1
1 1417 . 5 1 1 A 117 117 ASP CB C 117 40.962 44.366 -3.404 1
1 1418 . 5 1 1 A 117 117 ASP N N 117 118.783 122.254 -3.471 1
1 1419 . 5 1 1 A 118 118 ASP H H 118 8.083 9.192 -1.109 1
1 1420 . 5 1 1 A 118 118 ASP HA H 118 4.529 5.225 -0.696 1
1 1423 . 5 1 1 A 118 118 ASP C C 118 176.278 174.419 1.859 1
1 1424 . 5 1 1 A 118 118 ASP CA C 118 54.202 52.939 1.263 1
1 1425 . 5 1 1 A 118 118 ASP CB C 118 40.933 42.036 -1.103 1
1 1426 . 5 1 1 A 118 118 ASP N N 118 119.935 125.850 -5.915 1
1 1427 . 5 1 1 A 119 119 TYR H H 119 8.107 9.053 -0.946 1
1 1428 . 5 1 1 A 119 119 TYR HA H 119 4.450 4.766 -0.316 1
1 1435 . 5 1 1 A 119 119 TYR C C 119 175.825 175.598 0.227 1
1 1436 . 5 1 1 A 119 119 TYR CA C 119 58.350 58.048 0.302 1
1 1437 . 5 1 1 A 119 119 TYR CB C 119 38.260 38.541 -0.281 1
1 1442 . 5 1 1 A 119 119 TYR N N 119 120.415 125.660 -5.245 1
1 1443 . 5 1 1 A 120 120 ASN H H 120 8.276 7.770 0.506 1
1 1444 . 5 1 1 A 120 120 ASN HA H 120 4.615 4.878 -0.263 1
1 1449 . 5 1 1 A 120 120 ASN C C 120 175.102 173.490 1.612 1
1 1450 . 5 1 1 A 120 120 ASN CA C 120 53.396 52.721 0.675 1
1 1451 . 5 1 1 A 120 120 ASN CB C 120 38.712 36.653 2.059 1
1 1452 . 5 1 1 A 120 120 ASN N N 120 119.834 119.244 0.590 1
1 1454 . 5 1 1 A 121 121 VAL H H 121 7.897 7.855 0.042 1
1 1455 . 5 1 1 A 121 121 VAL HA H 121 4.009 4.742 -0.733 1
1 1463 . 5 1 1 A 121 121 VAL C C 121 176.484 173.742 2.742 1
1 1464 . 5 1 1 A 121 121 VAL CA C 121 62.950 60.831 2.119 1
1 1465 . 5 1 1 A 121 121 VAL CB C 121 32.326 34.962 -2.636 1
1 1468 . 5 1 1 A 121 121 VAL N N 121 120.109 123.547 -3.438 1
1 1469 . 5 1 1 A 122 122 VAL H H 122 8.091 8.882 -0.791 1
1 1470 . 5 1 1 A 122 122 VAL HA H 122 4.014 4.954 -0.940 1
1 1478 . 5 1 1 A 122 122 VAL C C 122 176.568 173.913 2.655 1
1 1479 . 5 1 1 A 122 122 VAL CA C 122 62.924 59.318 3.606 1
1 1480 . 5 1 1 A 122 122 VAL CB C 122 32.279 34.207 -1.928 1
1 1483 . 5 1 1 A 122 122 VAL N N 122 122.407 127.178 -4.771 1
1 1484 . 5 1 1 A 123 123 SER H H 123 8.228 8.719 -0.491 1
1 1485 . 5 1 1 A 123 123 SER HA H 123 4.385 4.902 -0.517 1
1 1488 . 5 1 1 A 123 123 SER C C 123 174.863 172.676 2.187 1
1 1489 . 5 1 1 A 123 123 SER CA C 123 58.525 57.409 1.116 1
1 1490 . 5 1 1 A 123 123 SER CB C 123 63.450 64.181 -0.731 1
1 1491 . 5 1 1 A 123 123 SER N N 123 118.095 123.681 -5.586 1
1 1492 . 5 1 1 A 124 124 ARG H H 124 8.208 8.594 -0.386 1
1 1493 . 5 1 1 A 124 124 ARG HA H 124 4.297 4.849 -0.552 1
1 1500 . 5 1 1 A 124 124 ARG C C 124 176.328 174.159 2.169 1
1 1501 . 5 1 1 A 124 124 ARG CA C 124 56.408 55.815 0.593 1
1 1502 . 5 1 1 A 124 124 ARG CB C 124 30.480 33.888 -3.408 1
1 1505 . 5 1 1 A 124 124 ARG N N 124 122.632 126.717 -4.085 1
1 1506 . 5 1 1 A 125 125 LEU H H 125 8.081 8.606 -0.525 1
1 1507 . 5 1 1 A 125 125 LEU HA H 125 4.262 4.871 -0.609 1
1 1517 . 5 1 1 A 125 125 LEU C C 125 177.375 174.585 2.790 1
1 1518 . 5 1 1 A 125 125 LEU CA C 125 55.282 54.485 0.797 1
1 1519 . 5 1 1 A 125 125 LEU CB C 125 42.042 45.895 -3.853 1
1 1523 . 5 1 1 A 125 125 LEU N N 125 121.964 125.836 -3.872 1
1 1524 . 5 1 1 A 126 126 GLU H H 126 8.232 8.679 -0.447 1
1 1525 . 5 1 1 A 126 126 GLU HA H 126 4.179 4.492 -0.313 1
1 1530 . 5 1 1 A 126 126 GLU C C 126 176.238 173.915 2.323 1
1 1531 . 5 1 1 A 126 126 GLU CA C 126 56.451 55.992 0.459 1
1 1532 . 5 1 1 A 126 126 GLU CB C 126 30.131 33.607 -3.476 1
1 14 . 6 1 1 A 2 2 GLU H H 2 8.824 8.764 0.060 1
1 15 . 6 1 1 A 2 2 GLU HA H 2 4.687 4.474 0.213 1
1 20 . 6 1 1 A 2 2 GLU C C 2 175.506 176.852 -1.346 1
1 21 . 6 1 1 A 2 2 GLU CA C 2 54.603 54.804 -0.201 1
1 22 . 6 1 1 A 2 2 GLU CB C 2 29.310 28.792 0.518 1
1 24 . 6 1 1 A 2 2 GLU N N 2 125.698 127.003 -1.305 1
1 25 . 6 1 1 A 3 3 PRO HA H 3 4.398 4.292 0.106 1
1 32 . 6 1 1 A 3 3 PRO C C 3 176.267 176.978 -0.711 1
1 33 . 6 1 1 A 3 3 PRO CA C 3 64.781 65.710 -0.929 1
1 34 . 6 1 1 A 3 3 PRO CB C 3 31.918 31.491 0.427 1
1 37 . 6 1 1 A 4 4 GLN H H 4 7.738 8.166 -0.428 1
1 38 . 6 1 1 A 4 4 GLN HA H 4 4.908 4.924 -0.016 1
1 45 . 6 1 1 A 4 4 GLN C C 4 175.006 174.546 0.460 1
1 46 . 6 1 1 A 4 4 GLN CA C 4 54.697 55.222 -0.525 1
1 47 . 6 1 1 A 4 4 GLN CB C 4 31.196 29.805 1.391 1
1 49 . 6 1 1 A 4 4 GLN N N 4 114.971 116.860 -1.889 1
1 51 . 6 1 1 A 5 5 SER H H 5 9.180 8.912 0.268 1
1 52 . 6 1 1 A 5 5 SER HA H 5 4.825 5.107 -0.282 1
1 55 . 6 1 1 A 5 5 SER C C 5 172.669 172.709 -0.040 1
1 56 . 6 1 1 A 5 5 SER CA C 5 58.100 57.591 0.509 1
1 57 . 6 1 1 A 5 5 SER CB C 5 65.536 64.989 0.547 1
1 58 . 6 1 1 A 5 5 SER N N 5 117.801 121.496 -3.695 1
1 59 . 6 1 1 A 6 6 ASP H H 6 8.386 8.658 -0.272 1
1 60 . 6 1 1 A 6 6 ASP HA H 6 4.841 4.723 0.118 1
1 63 . 6 1 1 A 6 6 ASP C C 6 177.071 177.463 -0.392 1
1 64 . 6 1 1 A 6 6 ASP CA C 6 53.810 54.454 -0.644 1
1 65 . 6 1 1 A 6 6 ASP CB C 6 42.427 43.215 -0.788 1
1 66 . 6 1 1 A 6 6 ASP N N 6 123.042 125.384 -2.342 1
1 67 . 6 1 1 A 7 7 ALA H H 7 9.312 9.192 0.120 1
1 68 . 6 1 1 A 7 7 ALA HA H 7 4.036 4.153 -0.117 1
1 72 . 6 1 1 A 7 7 ALA C C 7 178.859 179.672 -0.813 1
1 73 . 6 1 1 A 7 7 ALA CA C 7 55.703 55.509 0.194 1
1 74 . 6 1 1 A 7 7 ALA CB C 7 17.952 18.291 -0.339 1
1 75 . 6 1 1 A 7 7 ALA N N 7 123.976 128.532 -4.556 1
1 76 . 6 1 1 A 8 8 HIS H H 8 8.537 7.698 0.839 1
1 77 . 6 1 1 A 8 8 HIS HA H 8 3.950 4.226 -0.276 1
1 82 . 6 1 1 A 8 8 HIS C C 8 178.023 177.288 0.735 1
1 83 . 6 1 1 A 8 8 HIS CA C 8 59.778 59.821 -0.043 1
1 84 . 6 1 1 A 8 8 HIS CB C 8 29.039 29.835 -0.796 1
1 87 . 6 1 1 A 8 8 HIS N N 8 114.303 118.253 -3.950 1
1 90 . 6 1 1 A 9 9 VAL H H 9 7.567 7.930 -0.363 1
1 91 . 6 1 1 A 9 9 VAL HA H 9 3.709 3.331 0.378 1
1 99 . 6 1 1 A 9 9 VAL C C 9 178.518 177.923 0.595 1
1 100 . 6 1 1 A 9 9 VAL CA C 9 65.508 66.593 -1.085 1
1 101 . 6 1 1 A 9 9 VAL CB C 9 31.604 31.607 -0.003 1
1 104 . 6 1 1 A 9 9 VAL N N 9 121.235 119.343 1.892 1
1 105 . 6 1 1 A 10 10 LEU H H 10 7.219 8.235 -1.016 1
1 106 . 6 1 1 A 10 10 LEU HA H 10 3.716 3.759 -0.043 1
1 116 . 6 1 1 A 10 10 LEU C C 10 177.133 178.292 -1.159 1
1 117 . 6 1 1 A 10 10 LEU CA C 10 57.133 58.521 -1.388 1
1 118 . 6 1 1 A 10 10 LEU CB C 10 40.756 41.551 -0.795 1
1 122 . 6 1 1 A 10 10 LEU N N 10 120.890 121.122 -0.232 1
1 123 . 6 1 1 A 11 11 LYS H H 11 8.568 8.408 0.160 1
1 124 . 6 1 1 A 11 11 LYS HA H 11 3.943 3.858 0.085 1
1 133 . 6 1 1 A 11 11 LYS C C 11 178.143 178.740 -0.597 1
1 134 . 6 1 1 A 11 11 LYS CA C 11 60.388 59.576 0.812 1
1 135 . 6 1 1 A 11 11 LYS CB C 11 32.354 31.955 0.399 1
1 139 . 6 1 1 A 11 11 LYS N N 11 120.361 119.655 0.706 1
1 140 . 6 1 1 A 12 12 SER H H 12 7.865 7.988 -0.123 1
1 141 . 6 1 1 A 12 12 SER HA H 12 4.225 4.325 -0.100 1
1 144 . 6 1 1 A 12 12 SER C C 12 175.839 176.451 -0.612 1
1 145 . 6 1 1 A 12 12 SER CA C 12 61.626 61.219 0.407 1
1 146 . 6 1 1 A 12 12 SER CB C 12 62.749 62.425 0.324 1
1 147 . 6 1 1 A 12 12 SER N N 12 113.173 115.428 -2.255 1
1 148 . 6 1 1 A 13 13 ARG H H 13 7.701 7.932 -0.231 1
1 149 . 6 1 1 A 13 13 ARG HA H 13 3.827 4.160 -0.333 1
1 157 . 6 1 1 A 13 13 ARG C C 13 178.606 178.433 0.173 1
1 158 . 6 1 1 A 13 13 ARG CA C 13 58.926 58.728 0.198 1
1 159 . 6 1 1 A 13 13 ARG CB C 13 29.616 29.874 -0.258 1
1 162 . 6 1 1 A 13 13 ARG N N 13 122.104 122.198 -0.094 1
1 164 . 6 1 1 A 14 14 LEU H H 14 8.308 8.213 0.095 1
1 165 . 6 1 1 A 14 14 LEU HA H 14 4.219 4.406 -0.187 1
1 175 . 6 1 1 A 14 14 LEU C C 14 178.590 178.841 -0.251 1
1 176 . 6 1 1 A 14 14 LEU CA C 14 57.904 58.215 -0.311 1
1 177 . 6 1 1 A 14 14 LEU CB C 14 42.627 42.219 0.408 1
1 181 . 6 1 1 A 14 14 LEU N N 14 119.549 120.989 -1.440 1
1 182 . 6 1 1 A 15 15 GLU H H 15 7.824 8.506 -0.682 1
1 183 . 6 1 1 A 15 15 GLU HA H 15 3.998 4.008 -0.010 1
1 188 . 6 1 1 A 15 15 GLU C C 15 177.805 179.399 -1.594 1
1 189 . 6 1 1 A 15 15 GLU CA C 15 58.219 59.541 -1.322 1
1 190 . 6 1 1 A 15 15 GLU CB C 15 29.865 29.989 -0.124 1
1 192 . 6 1 1 A 15 15 GLU N N 15 116.921 117.859 -0.938 1
1 193 . 6 1 1 A 16 16 TRP H H 16 7.905 8.404 -0.499 1
1 194 . 6 1 1 A 16 16 TRP HA H 16 4.895 4.534 0.361 1
1 203 . 6 1 1 A 16 16 TRP C C 16 176.778 178.659 -1.881 1
1 204 . 6 1 1 A 16 16 TRP CA C 16 57.033 59.685 -2.652 1
1 205 . 6 1 1 A 16 16 TRP CB C 16 30.513 30.140 0.373 1
1 211 . 6 1 1 A 16 16 TRP N N 16 116.589 120.802 -4.213 1
1 213 . 6 1 1 A 17 17 GLY H H 17 8.007 8.006 0.001 1
1 214 . 6 1 1 A 17 17 GLY HA2 H 17 3.979 3.967 0.012 1
1 215 . 6 1 1 A 17 17 GLY HA3 H 17 4.200 3.974 0.226 1
1 216 . 6 1 1 A 17 17 GLY C C 17 173.650 173.772 -0.122 1
1 217 . 6 1 1 A 17 17 GLY CA C 17 44.786 44.796 -0.010 1
1 218 . 6 1 1 A 17 17 GLY N N 17 108.398 107.998 0.400 1
1 219 . 6 1 1 A 18 18 GLU H H 18 8.483 8.353 0.130 1
1 220 . 6 1 1 A 18 18 GLU HA H 18 4.534 4.892 -0.358 1
1 225 . 6 1 1 A 18 18 GLU C C 18 176.535 175.960 0.575 1
1 226 . 6 1 1 A 18 18 GLU CA C 18 54.615 53.744 0.871 1
1 227 . 6 1 1 A 18 18 GLU CB C 18 29.654 32.832 -3.178 1
1 229 . 6 1 1 A 18 18 GLU N N 18 121.984 123.284 -1.300 1
1 230 . 6 1 1 A 19 19 PRO HA H 19 4.549 3.836 0.713 1
1 237 . 6 1 1 A 19 19 PRO C C 19 176.737 176.125 0.612 1
1 238 . 6 1 1 A 19 19 PRO CA C 19 63.685 63.056 0.629 1
1 239 . 6 1 1 A 19 19 PRO CB C 19 30.940 30.489 0.451 1
1 242 . 6 1 1 A 20 20 ALA H H 20 8.386 7.957 0.429 1
1 243 . 6 1 1 A 20 20 ALA HA H 20 4.536 4.303 0.233 1
1 247 . 6 1 1 A 20 20 ALA C C 20 174.844 176.583 -1.739 1
1 248 . 6 1 1 A 20 20 ALA CA C 20 51.312 52.655 -1.343 1
1 249 . 6 1 1 A 20 20 ALA CB C 20 17.883 18.995 -1.112 1
1 250 . 6 1 1 A 20 20 ALA N N 20 126.537 122.858 3.679 1
1 251 . 6 1 1 A 21 21 PHE H H 21 7.244 6.838 0.406 1
1 252 . 6 1 1 A 21 21 PHE HA H 21 5.485 5.570 -0.085 1
1 260 . 6 1 1 A 21 21 PHE C C 21 173.639 174.212 -0.573 1
1 261 . 6 1 1 A 21 21 PHE CA C 21 55.312 55.138 0.174 1
1 262 . 6 1 1 A 21 21 PHE CB C 21 41.581 42.574 -0.993 1
1 268 . 6 1 1 A 21 21 PHE N N 21 115.447 114.775 0.672 1
1 269 . 6 1 1 A 22 22 THR H H 22 9.203 9.229 -0.026 1
1 270 . 6 1 1 A 22 22 THR HA H 22 4.583 4.986 -0.403 1
1 275 . 6 1 1 A 22 22 THR C C 22 171.987 173.776 -1.789 1
1 276 . 6 1 1 A 22 22 THR CA C 22 62.368 61.639 0.729 1
1 277 . 6 1 1 A 22 22 THR CB C 22 72.961 70.540 2.421 1
1 279 . 6 1 1 A 22 22 THR N N 22 119.035 115.249 3.786 1
1 280 . 6 1 1 A 23 23 ILE H H 23 9.318 9.356 -0.038 1
1 281 . 6 1 1 A 23 23 ILE HA H 23 5.172 5.254 -0.082 1
1 291 . 6 1 1 A 23 23 ILE C C 23 173.969 175.478 -1.509 1
1 292 . 6 1 1 A 23 23 ILE CA C 23 59.958 60.632 -0.674 1
1 293 . 6 1 1 A 23 23 ILE CB C 23 40.273 39.305 0.968 1
1 297 . 6 1 1 A 23 23 ILE N N 23 127.452 129.165 -1.713 1
1 298 . 6 1 1 A 24 24 LEU H H 24 9.522 9.297 0.225 1
1 299 . 6 1 1 A 24 24 LEU HA H 24 4.871 5.066 -0.195 1
1 309 . 6 1 1 A 24 24 LEU C C 24 172.823 174.988 -2.165 1
1 310 . 6 1 1 A 24 24 LEU CA C 24 53.100 53.111 -0.011 1
1 311 . 6 1 1 A 24 24 LEU CB C 24 44.522 43.753 0.769 1
1 315 . 6 1 1 A 24 24 LEU N N 24 127.148 127.568 -0.420 1
1 316 . 6 1 1 A 25 25 ASP H H 25 8.325 8.954 -0.629 1
1 317 . 6 1 1 A 25 25 ASP HA H 25 4.112 4.264 -0.152 1
1 320 . 6 1 1 A 25 25 ASP C C 25 177.457 176.844 0.613 1
1 321 . 6 1 1 A 25 25 ASP CA C 25 51.097 52.884 -1.787 1
1 322 . 6 1 1 A 25 25 ASP CB C 25 43.056 40.642 2.414 1
1 323 . 6 1 1 A 25 25 ASP N N 25 122.856 124.482 -1.626 1
1 324 . 6 1 1 A 26 26 VAL H H 26 7.924 7.847 0.077 1
1 325 . 6 1 1 A 26 26 VAL HA H 26 4.964 4.702 0.262 1
1 333 . 6 1 1 A 26 26 VAL C C 26 176.585 176.872 -0.287 1
1 334 . 6 1 1 A 26 26 VAL CA C 26 59.554 61.535 -1.981 1
1 335 . 6 1 1 A 26 26 VAL CB C 26 30.002 31.847 -1.845 1
1 338 . 6 1 1 A 26 26 VAL N N 26 117.391 120.181 -2.790 1
1 339 . 6 1 1 A 27 27 ARG H H 27 7.773 7.358 0.415 1
1 340 . 6 1 1 A 27 27 ARG HA H 27 4.418 4.050 0.368 1
1 352 . 6 1 1 A 27 27 ARG C C 27 173.931 175.931 -2.000 1
1 353 . 6 1 1 A 27 27 ARG CA C 27 55.487 58.355 -2.868 1
1 354 . 6 1 1 A 27 27 ARG CB C 27 30.337 30.850 -0.513 1
1 357 . 6 1 1 A 27 27 ARG N N 27 121.126 120.599 0.527 1
1 361 . 6 1 1 A 28 28 ASP H H 28 7.792 7.725 0.067 1
1 362 . 6 1 1 A 28 28 ASP HA H 28 4.431 4.806 -0.375 1
1 365 . 6 1 1 A 28 28 ASP C C 28 176.402 175.816 0.586 1
1 366 . 6 1 1 A 28 28 ASP CA C 28 54.427 53.794 0.633 1
1 367 . 6 1 1 A 28 28 ASP CB C 28 41.498 43.666 -2.168 1
1 368 . 6 1 1 A 28 28 ASP N N 28 115.368 114.515 0.853 1
1 369 . 6 1 1 A 29 29 ARG H H 29 8.781 8.674 0.107 1
1 370 . 6 1 1 A 29 29 ARG HA H 29 3.853 3.950 -0.097 1
1 378 . 6 1 1 A 29 29 ARG C C 29 177.811 177.941 -0.130 1
1 379 . 6 1 1 A 29 29 ARG CA C 29 58.920 58.787 0.133 1
1 380 . 6 1 1 A 29 29 ARG CB C 29 29.762 29.846 -0.084 1
1 383 . 6 1 1 A 29 29 ARG N N 29 121.538 125.505 -3.967 1
1 385 . 6 1 1 A 30 30 SER H H 30 8.478 8.439 0.039 1
1 386 . 6 1 1 A 30 30 SER HA H 30 4.190 4.246 -0.056 1
1 389 . 6 1 1 A 30 30 SER C C 30 176.814 176.833 -0.019 1
1 390 . 6 1 1 A 30 30 SER CA C 30 61.929 61.256 0.673 1
1 391 . 6 1 1 A 30 30 SER CB C 30 62.051 62.907 -0.856 1
1 392 . 6 1 1 A 30 30 SER N N 30 113.937 115.335 -1.398 1
1 393 . 6 1 1 A 31 31 THR H H 31 7.724 8.059 -0.335 1
1 394 . 6 1 1 A 31 31 THR HA H 31 4.096 4.064 0.032 1
1 399 . 6 1 1 A 31 31 THR C C 31 176.940 176.078 0.862 1
1 400 . 6 1 1 A 31 31 THR CA C 31 66.078 66.632 -0.554 1
1 401 . 6 1 1 A 31 31 THR CB C 31 67.583 68.859 -1.276 1
1 403 . 6 1 1 A 31 31 THR N N 31 120.025 117.075 2.950 1
1 404 . 6 1 1 A 32 32 TYR H H 32 8.186 8.529 -0.343 1
1 405 . 6 1 1 A 32 32 TYR HA H 32 4.009 4.265 -0.256 1
1 410 . 6 1 1 A 32 32 TYR C C 32 180.166 177.935 2.231 1
1 411 . 6 1 1 A 32 32 TYR CA C 32 61.797 62.255 -0.458 1
1 412 . 6 1 1 A 32 32 TYR CB C 32 37.300 38.681 -1.381 1
1 415 . 6 1 1 A 32 32 TYR N N 32 123.636 122.408 1.228 1
1 416 . 6 1 1 A 33 33 ASN H H 33 8.838 8.059 0.779 1
1 417 . 6 1 1 A 33 33 ASN HA H 33 4.435 4.350 0.085 1
1 422 . 6 1 1 A 33 33 ASN C C 33 176.730 178.276 -1.546 1
1 423 . 6 1 1 A 33 33 ASN CA C 33 55.167 56.339 -1.172 1
1 424 . 6 1 1 A 33 33 ASN CB C 33 37.308 37.854 -0.546 1
1 425 . 6 1 1 A 33 33 ASN N N 33 122.000 118.099 3.901 1
1 427 . 6 1 1 A 34 34 ASP H H 34 7.510 8.065 -0.555 1
1 428 . 6 1 1 A 34 34 ASP HA H 34 4.587 4.415 0.172 1
1 431 . 6 1 1 A 34 34 ASP C C 34 177.045 176.724 0.321 1
1 432 . 6 1 1 A 34 34 ASP CA C 34 56.487 56.911 -0.424 1
1 433 . 6 1 1 A 34 34 ASP CB C 34 40.822 41.292 -0.470 1
1 434 . 6 1 1 A 34 34 ASP N N 34 119.832 117.588 2.244 1
1 435 . 6 1 1 A 35 35 GLY H H 35 7.412 7.494 -0.082 1
1 436 . 6 1 1 A 35 35 GLY HA2 H 35 3.997 4.008 -0.011 1
1 437 . 6 1 1 A 35 35 GLY HA3 H 35 3.997 4.066 -0.069 1
1 438 . 6 1 1 A 35 35 GLY C C 35 171.246 171.595 -0.349 1
1 439 . 6 1 1 A 35 35 GLY CA C 35 46.441 45.895 0.546 1
1 440 . 6 1 1 A 35 35 GLY N N 35 106.611 102.933 3.678 1
1 441 . 6 1 1 A 36 36 HIS H H 36 8.441 8.886 -0.445 1
1 442 . 6 1 1 A 36 36 HIS HA H 36 4.782 5.624 -0.842 1
1 447 . 6 1 1 A 36 36 HIS C C 36 172.800 173.975 -1.175 1
1 448 . 6 1 1 A 36 36 HIS CA C 36 53.425 53.649 -0.224 1
1 449 . 6 1 1 A 36 36 HIS CB C 36 31.978 32.672 -0.694 1
1 452 . 6 1 1 A 36 36 HIS N N 36 117.929 119.733 -1.804 1
1 455 . 6 1 1 A 37 37 ILE H H 37 8.087 8.713 -0.626 1
1 456 . 6 1 1 A 37 37 ILE HA H 37 3.223 3.636 -0.413 1
1 466 . 6 1 1 A 37 37 ILE C C 37 175.423 176.401 -0.978 1
1 467 . 6 1 1 A 37 37 ILE CA C 37 64.607 62.035 2.572 1
1 468 . 6 1 1 A 37 37 ILE CB C 37 37.269 37.499 -0.230 1
1 472 . 6 1 1 A 37 37 ILE N N 37 120.831 121.432 -0.601 1
1 473 . 6 1 1 A 38 38 MET H H 38 7.625 8.416 -0.791 1
1 474 . 6 1 1 A 38 38 MET HA H 38 3.953 4.432 -0.479 1
1 482 . 6 1 1 A 38 38 MET C C 38 174.632 176.838 -2.206 1
1 483 . 6 1 1 A 38 38 MET CA C 38 57.865 56.785 1.080 1
1 484 . 6 1 1 A 38 38 MET CB C 38 32.882 32.295 0.587 1
1 487 . 6 1 1 A 38 38 MET N N 38 128.683 125.949 2.734 1
1 488 . 6 1 1 A 39 39 GLY H H 39 8.795 8.622 0.173 1
1 489 . 6 1 1 A 39 39 GLY HA2 H 39 3.727 3.991 -0.264 1
1 490 . 6 1 1 A 39 39 GLY HA3 H 39 4.345 4.020 0.325 1
1 491 . 6 1 1 A 39 39 GLY C C 39 175.442 174.713 0.729 1
1 492 . 6 1 1 A 39 39 GLY CA C 39 44.964 45.321 -0.357 1
1 493 . 6 1 1 A 39 39 GLY N N 39 113.814 114.033 -0.219 1
1 494 . 6 1 1 A 40 40 ALA H H 40 8.566 8.030 0.536 1
1 495 . 6 1 1 A 40 40 ALA HA H 40 4.656 4.653 0.003 1
1 499 . 6 1 1 A 40 40 ALA C C 40 177.459 177.086 0.373 1
1 500 . 6 1 1 A 40 40 ALA CA C 40 52.139 51.816 0.323 1
1 501 . 6 1 1 A 40 40 ALA CB C 40 20.657 20.461 0.196 1
1 502 . 6 1 1 A 40 40 ALA N N 40 122.444 124.030 -1.586 1
1 503 . 6 1 1 A 41 41 MET H H 41 9.268 9.009 0.259 1
1 504 . 6 1 1 A 41 41 MET HA H 41 4.478 4.940 -0.462 1
1 512 . 6 1 1 A 41 41 MET C C 41 174.328 175.471 -1.143 1
1 513 . 6 1 1 A 41 41 MET CA C 41 54.330 54.014 0.316 1
1 514 . 6 1 1 A 41 41 MET CB C 41 34.473 33.628 0.845 1
1 517 . 6 1 1 A 41 41 MET N N 41 123.908 120.007 3.901 1
1 518 . 6 1 1 A 42 42 ALA H H 42 8.162 8.434 -0.272 1
1 519 . 6 1 1 A 42 42 ALA HA H 42 3.870 3.785 0.085 1
1 523 . 6 1 1 A 42 42 ALA C C 42 177.157 175.804 1.353 1
1 524 . 6 1 1 A 42 42 ALA CA C 42 51.888 51.139 0.749 1
1 525 . 6 1 1 A 42 42 ALA CB C 42 16.282 16.787 -0.505 1
1 526 . 6 1 1 A 42 42 ALA N N 42 126.936 125.087 1.849 1
1 527 . 6 1 1 A 43 43 MET H H 43 8.109 8.005 0.104 1
1 528 . 6 1 1 A 43 43 MET HA H 43 4.386 4.907 -0.521 1
1 536 . 6 1 1 A 43 43 MET C C 43 168.952 173.919 -4.967 1
1 537 . 6 1 1 A 43 43 MET CA C 43 53.535 52.526 1.009 1
1 538 . 6 1 1 A 43 43 MET CB C 43 34.346 33.398 0.948 1
1 541 . 6 1 1 A 43 43 MET N N 43 125.282 122.384 2.898 1
1 542 . 6 1 1 A 44 44 PRO HA H 44 3.949 4.626 -0.677 1
1 549 . 6 1 1 A 44 44 PRO C C 44 179.070 178.045 1.025 1
1 550 . 6 1 1 A 44 44 PRO CA C 44 62.524 62.857 -0.333 1
1 551 . 6 1 1 A 44 44 PRO CB C 44 32.611 32.241 0.370 1
1 554 . 6 1 1 A 45 45 ILE H H 45 7.764 8.670 -0.906 1
1 555 . 6 1 1 A 45 45 ILE HA H 45 3.851 3.903 -0.052 1
1 565 . 6 1 1 A 45 45 ILE C C 45 175.827 177.595 -1.768 1
1 566 . 6 1 1 A 45 45 ILE CA C 45 64.676 63.300 1.376 1
1 567 . 6 1 1 A 45 45 ILE CB C 45 38.991 38.047 0.944 1
1 571 . 6 1 1 A 45 45 ILE N N 45 121.655 125.392 -3.737 1
1 572 . 6 1 1 A 46 46 GLU H H 46 9.102 8.025 1.077 1
1 573 . 6 1 1 A 46 46 GLU HA H 46 4.056 4.051 0.005 1
1 578 . 6 1 1 A 46 46 GLU C C 46 176.499 177.447 -0.948 1
1 579 . 6 1 1 A 46 46 GLU CA C 46 59.349 59.726 -0.377 1
1 580 . 6 1 1 A 46 46 GLU CB C 46 28.456 29.762 -1.306 1
1 582 . 6 1 1 A 46 46 GLU N N 46 121.004 121.757 -0.753 1
1 583 . 6 1 1 A 47 47 ASP H H 47 7.729 7.852 -0.123 1
1 584 . 6 1 1 A 47 47 ASP HA H 47 5.059 4.799 0.260 1
1 587 . 6 1 1 A 47 47 ASP C C 47 175.683 176.801 -1.118 1
1 588 . 6 1 1 A 47 47 ASP CA C 47 53.266 53.482 -0.216 1
1 589 . 6 1 1 A 47 47 ASP CB C 47 42.048 41.169 0.879 1
1 590 . 6 1 1 A 47 47 ASP N N 47 117.171 118.834 -1.663 1
1 591 . 6 1 1 A 48 48 LEU H H 48 7.193 7.326 -0.133 1
1 592 . 6 1 1 A 48 48 LEU HA H 48 3.690 3.880 -0.190 1
1 602 . 6 1 1 A 48 48 LEU C C 48 176.829 178.336 -1.507 1
1 603 . 6 1 1 A 48 48 LEU CA C 48 58.905 58.746 0.159 1
1 604 . 6 1 1 A 48 48 LEU CB C 48 43.334 41.734 1.600 1
1 608 . 6 1 1 A 48 48 LEU N N 48 121.314 120.760 0.554 1
1 609 . 6 1 1 A 49 49 VAL H H 49 8.507 8.004 0.503 1
1 610 . 6 1 1 A 49 49 VAL HA H 49 3.290 3.541 -0.251 1
1 618 . 6 1 1 A 49 49 VAL C C 49 178.915 178.024 0.891 1
1 619 . 6 1 1 A 49 49 VAL CA C 49 67.886 67.000 0.886 1
1 620 . 6 1 1 A 49 49 VAL CB C 49 30.881 31.692 -0.811 1
1 623 . 6 1 1 A 49 49 VAL N N 49 116.698 119.296 -2.598 1
1 624 . 6 1 1 A 50 50 ASP H H 50 8.474 8.199 0.275 1
1 625 . 6 1 1 A 50 50 ASP HA H 50 4.396 4.291 0.105 1
1 628 . 6 1 1 A 50 50 ASP C C 50 178.890 178.528 0.362 1
1 629 . 6 1 1 A 50 50 ASP CA C 50 57.477 57.726 -0.249 1
1 630 . 6 1 1 A 50 50 ASP CB C 50 40.945 41.380 -0.435 1
1 631 . 6 1 1 A 50 50 ASP N N 50 121.526 119.942 1.584 1
1 632 . 6 1 1 A 51 51 ARG H H 51 8.334 8.158 0.176 1
1 633 . 6 1 1 A 51 51 ARG HA H 51 4.079 3.974 0.105 1
1 641 . 6 1 1 A 51 51 ARG C C 51 179.634 178.783 0.851 1
1 642 . 6 1 1 A 51 51 ARG CA C 51 58.378 59.491 -1.113 1
1 643 . 6 1 1 A 51 51 ARG CB C 51 29.692 30.311 -0.619 1
1 646 . 6 1 1 A 51 51 ARG N N 51 118.666 118.376 0.290 1
1 648 . 6 1 1 A 52 52 ALA H H 52 9.250 7.966 1.284 1
1 649 . 6 1 1 A 52 52 ALA HA H 52 3.752 4.139 -0.387 1
1 653 . 6 1 1 A 52 52 ALA C C 52 179.710 179.622 0.088 1
1 654 . 6 1 1 A 52 52 ALA CA C 52 55.830 55.048 0.782 1
1 655 . 6 1 1 A 52 52 ALA CB C 52 18.164 18.773 -0.609 1
1 656 . 6 1 1 A 52 52 ALA N N 52 124.004 121.830 2.174 1
1 657 . 6 1 1 A 53 53 SER H H 53 8.392 8.362 0.030 1
1 658 . 6 1 1 A 53 53 SER HA H 53 4.457 4.268 0.189 1
1 661 . 6 1 1 A 53 53 SER C C 53 175.807 177.116 -1.309 1
1 662 . 6 1 1 A 53 53 SER CA C 53 62.214 61.315 0.899 1
1 663 . 6 1 1 A 53 53 SER CB C 53 62.805 63.423 -0.618 1
1 664 . 6 1 1 A 53 53 SER N N 53 111.154 113.444 -2.290 1
1 665 . 6 1 1 A 54 54 SER H H 54 7.570 7.576 -0.006 1
1 666 . 6 1 1 A 54 54 SER HA H 54 4.512 4.321 0.191 1
1 669 . 6 1 1 A 54 54 SER C C 54 175.210 175.186 0.024 1
1 670 . 6 1 1 A 54 54 SER CA C 54 59.567 60.847 -1.280 1
1 671 . 6 1 1 A 54 54 SER CB C 54 63.902 63.268 0.634 1
1 672 . 6 1 1 A 54 54 SER N N 54 112.745 115.390 -2.645 1
1 673 . 6 1 1 A 55 55 SER H H 55 7.501 7.886 -0.385 1
1 674 . 6 1 1 A 55 55 SER HA H 55 4.744 4.723 0.021 1
1 677 . 6 1 1 A 55 55 SER C C 55 173.106 173.338 -0.232 1
1 678 . 6 1 1 A 55 55 SER CA C 55 59.905 58.288 1.617 1
1 679 . 6 1 1 A 55 55 SER CB C 55 65.881 64.885 0.996 1
1 680 . 6 1 1 A 55 55 SER N N 55 113.238 114.206 -0.968 1
1 681 . 6 1 1 A 56 56 LEU H H 56 8.320 7.821 0.499 1
1 682 . 6 1 1 A 56 56 LEU HA H 56 4.823 4.907 -0.084 1
1 692 . 6 1 1 A 56 56 LEU C C 56 175.441 175.069 0.372 1
1 693 . 6 1 1 A 56 56 LEU CA C 56 53.476 53.969 -0.493 1
1 694 . 6 1 1 A 56 56 LEU CB C 56 44.655 45.666 -1.011 1
1 698 . 6 1 1 A 56 56 LEU N N 56 122.043 122.118 -0.075 1
1 699 . 6 1 1 A 57 57 GLU H H 57 8.510 8.841 -0.331 1
1 700 . 6 1 1 A 57 57 GLU HA H 57 4.334 4.494 -0.160 1
1 705 . 6 1 1 A 57 57 GLU C C 57 177.869 177.513 0.356 1
1 706 . 6 1 1 A 57 57 GLU CA C 57 55.911 56.177 -0.266 1
1 707 . 6 1 1 A 57 57 GLU CB C 57 30.193 31.526 -1.333 1
1 709 . 6 1 1 A 57 57 GLU N N 57 121.479 122.756 -1.277 1
1 710 . 6 1 1 A 58 58 LYS H H 58 8.513 8.881 -0.368 1
1 711 . 6 1 1 A 58 58 LYS HA H 58 3.811 3.734 0.077 1
1 720 . 6 1 1 A 58 58 LYS C C 58 178.345 177.734 0.611 1
1 721 . 6 1 1 A 58 58 LYS CA C 58 58.526 58.928 -0.402 1
1 722 . 6 1 1 A 58 58 LYS CB C 58 31.265 31.800 -0.535 1
1 726 . 6 1 1 A 58 58 LYS N N 58 120.689 125.941 -5.252 1
1 727 . 6 1 1 A 59 59 SER H H 59 7.912 7.695 0.217 1
1 728 . 6 1 1 A 59 59 SER HA H 59 4.437 4.679 -0.242 1
1 731 . 6 1 1 A 59 59 SER C C 59 174.216 174.375 -0.159 1
1 732 . 6 1 1 A 59 59 SER CA C 59 57.862 58.285 -0.423 1
1 733 . 6 1 1 A 59 59 SER CB C 59 63.682 63.870 -0.188 1
1 734 . 6 1 1 A 59 59 SER N N 59 111.530 112.980 -1.450 1
1 735 . 6 1 1 A 60 60 ARG H H 60 7.477 7.577 -0.100 1
1 736 . 6 1 1 A 60 60 ARG HA H 60 4.199 4.334 -0.135 1
1 744 . 6 1 1 A 60 60 ARG C C 60 174.880 175.904 -1.024 1
1 745 . 6 1 1 A 60 60 ARG CA C 60 55.828 55.920 -0.092 1
1 746 . 6 1 1 A 60 60 ARG CB C 60 31.971 31.089 0.882 1
1 749 . 6 1 1 A 60 60 ARG N N 60 125.535 123.407 2.128 1
1 751 . 6 1 1 A 61 61 ASP H H 61 8.540 8.555 -0.015 1
1 752 . 6 1 1 A 61 61 ASP HA H 61 4.903 4.879 0.024 1
1 755 . 6 1 1 A 61 61 ASP C C 61 175.569 175.961 -0.392 1
1 756 . 6 1 1 A 61 61 ASP CA C 61 55.438 54.519 0.919 1
1 757 . 6 1 1 A 61 61 ASP CB C 61 40.847 40.710 0.137 1
1 758 . 6 1 1 A 61 61 ASP N N 61 126.761 125.689 1.072 1
1 759 . 6 1 1 A 62 62 ILE H H 62 8.630 9.191 -0.561 1
1 760 . 6 1 1 A 62 62 ILE HA H 62 5.038 5.243 -0.205 1
1 770 . 6 1 1 A 62 62 ILE C C 62 174.444 174.317 0.127 1
1 771 . 6 1 1 A 62 62 ILE CA C 62 59.799 60.523 -0.724 1
1 772 . 6 1 1 A 62 62 ILE CB C 62 42.130 39.948 2.182 1
1 776 . 6 1 1 A 62 62 ILE N N 62 125.212 125.472 -0.260 1
1 777 . 6 1 1 A 63 63 TYR H H 63 9.026 9.223 -0.197 1
1 778 . 6 1 1 A 63 63 TYR HA H 63 5.230 5.327 -0.097 1
1 785 . 6 1 1 A 63 63 TYR C C 63 175.088 174.466 0.622 1
1 786 . 6 1 1 A 63 63 TYR CA C 63 56.143 56.979 -0.836 1
1 787 . 6 1 1 A 63 63 TYR CB C 63 41.302 39.656 1.646 1
1 792 . 6 1 1 A 63 63 TYR N N 63 125.467 127.510 -2.043 1
1 793 . 6 1 1 A 64 64 VAL H H 64 8.523 8.927 -0.404 1
1 794 . 6 1 1 A 64 64 VAL HA H 64 5.106 4.821 0.285 1
1 802 . 6 1 1 A 64 64 VAL C C 64 174.072 175.205 -1.133 1
1 803 . 6 1 1 A 64 64 VAL CA C 64 60.302 61.597 -1.295 1
1 804 . 6 1 1 A 64 64 VAL CB C 64 35.121 33.180 1.941 1
1 807 . 6 1 1 A 64 64 VAL N N 64 121.014 123.734 -2.720 1
1 808 . 6 1 1 A 65 65 TYR H H 65 8.832 8.953 -0.121 1
1 809 . 6 1 1 A 65 65 TYR HA H 65 5.289 5.847 -0.558 1
1 816 . 6 1 1 A 65 65 TYR C C 65 172.116 173.743 -1.627 1
1 817 . 6 1 1 A 65 65 TYR CA C 65 56.777 55.060 1.717 1
1 818 . 6 1 1 A 65 65 TYR CB C 65 42.528 41.889 0.639 1
1 819 . 6 1 1 A 65 65 TYR N N 65 120.331 123.106 -2.775 1
1 820 . 6 1 1 A 66 66 GLY H H 66 8.278 9.100 -0.822 1
1 821 . 6 1 1 A 66 66 GLY HA2 H 66 3.449 4.094 -0.645 1
1 822 . 6 1 1 A 66 66 GLY HA3 H 66 4.408 4.188 0.220 1
1 823 . 6 1 1 A 66 66 GLY C C 66 173.636 174.746 -1.110 1
1 824 . 6 1 1 A 66 66 GLY CA C 66 43.793 43.817 -0.024 1
1 825 . 6 1 1 A 66 66 GLY N N 66 108.458 109.204 -0.746 1
1 826 . 6 1 1 A 67 67 ALA H H 67 9.485 8.590 0.895 1
1 827 . 6 1 1 A 67 67 ALA HA H 67 4.331 4.150 0.181 1
1 831 . 6 1 1 A 67 67 ALA C C 67 176.363 177.392 -1.029 1
1 832 . 6 1 1 A 67 67 ALA CA C 67 52.848 54.914 -2.066 1
1 833 . 6 1 1 A 67 67 ALA CB C 67 18.178 19.732 -1.554 1
1 834 . 6 1 1 A 67 67 ALA N N 67 126.325 121.817 4.508 1
1 835 . 6 1 1 A 68 68 GLY H H 68 7.553 7.831 -0.278 1
1 836 . 6 1 1 A 68 68 GLY HA2 H 68 4.270 4.161 0.109 1
1 837 . 6 1 1 A 68 68 GLY HA3 H 68 4.209 4.172 0.037 1
1 838 . 6 1 1 A 68 68 GLY C C 68 173.695 174.725 -1.030 1
1 839 . 6 1 1 A 68 68 GLY CA C 68 44.112 44.503 -0.391 1
1 840 . 6 1 1 A 68 68 GLY N N 68 106.057 103.985 2.072 1
1 841 . 6 1 1 A 69 69 ASP H H 69 8.904 9.111 -0.207 1
1 842 . 6 1 1 A 69 69 ASP HA H 69 4.408 4.309 0.099 1
1 845 . 6 1 1 A 69 69 ASP C C 69 178.531 178.430 0.101 1
1 846 . 6 1 1 A 69 69 ASP CA C 69 57.592 57.101 0.491 1
1 847 . 6 1 1 A 69 69 ASP CB C 69 40.198 40.328 -0.130 1
1 848 . 6 1 1 A 69 69 ASP N N 69 121.078 119.839 1.239 1
1 849 . 6 1 1 A 70 70 GLU H H 70 8.905 8.330 0.575 1
1 850 . 6 1 1 A 70 70 GLU HA H 70 4.110 3.990 0.120 1
1 855 . 6 1 1 A 70 70 GLU C C 70 178.745 178.991 -0.246 1
1 856 . 6 1 1 A 70 70 GLU CA C 70 59.956 59.752 0.204 1
1 857 . 6 1 1 A 70 70 GLU CB C 70 28.534 29.234 -0.700 1
1 859 . 6 1 1 A 70 70 GLU N N 70 120.998 120.069 0.929 1
1 860 . 6 1 1 A 71 71 GLN H H 71 8.453 7.785 0.668 1
1 861 . 6 1 1 A 71 71 GLN HA H 71 4.106 4.102 0.004 1
1 868 . 6 1 1 A 71 71 GLN C C 71 178.164 178.350 -0.186 1
1 869 . 6 1 1 A 71 71 GLN CA C 71 59.350 58.481 0.869 1
1 870 . 6 1 1 A 71 71 GLN CB C 71 29.682 28.290 1.392 1
1 872 . 6 1 1 A 71 71 GLN N N 71 121.273 118.844 2.429 1
1 874 . 6 1 1 A 72 72 THR H H 72 8.267 8.121 0.146 1
1 875 . 6 1 1 A 72 72 THR HA H 72 3.524 3.873 -0.349 1
1 880 . 6 1 1 A 72 72 THR C C 72 175.546 176.115 -0.569 1
1 881 . 6 1 1 A 72 72 THR CA C 72 67.395 66.581 0.814 1
1 882 . 6 1 1 A 72 72 THR CB C 72 68.145 68.818 -0.673 1
1 884 . 6 1 1 A 72 72 THR N N 72 115.641 117.143 -1.502 1
1 885 . 6 1 1 A 73 73 SER H H 73 8.265 8.243 0.022 1
1 886 . 6 1 1 A 73 73 SER HA H 73 4.029 4.103 -0.074 1
1 889 . 6 1 1 A 73 73 SER C C 73 176.825 176.592 0.233 1
1 890 . 6 1 1 A 73 73 SER CA C 73 61.746 61.425 0.321 1
1 891 . 6 1 1 A 73 73 SER CB C 73 62.746 62.877 -0.131 1
1 892 . 6 1 1 A 73 73 SER N N 73 115.814 115.257 0.557 1
1 893 . 6 1 1 A 74 74 GLN H H 74 8.119 8.038 0.081 1
1 894 . 6 1 1 A 74 74 GLN HA H 74 4.090 4.030 0.060 1
1 901 . 6 1 1 A 74 74 GLN C C 74 178.630 178.045 0.585 1
1 902 . 6 1 1 A 74 74 GLN CA C 74 58.903 58.372 0.531 1
1 903 . 6 1 1 A 74 74 GLN CB C 74 27.943 28.197 -0.254 1
1 905 . 6 1 1 A 74 74 GLN N N 74 121.446 118.640 2.806 1
1 907 . 6 1 1 A 75 75 ALA H H 75 8.210 7.725 0.485 1
1 908 . 6 1 1 A 75 75 ALA HA H 75 3.879 4.047 -0.168 1
1 912 . 6 1 1 A 75 75 ALA C C 75 178.843 179.689 -0.846 1
1 913 . 6 1 1 A 75 75 ALA CA C 75 54.959 55.073 -0.114 1
1 914 . 6 1 1 A 75 75 ALA CB C 75 20.226 18.437 1.789 1
1 915 . 6 1 1 A 75 75 ALA N N 75 121.007 122.384 -1.377 1
1 916 . 6 1 1 A 76 76 VAL H H 76 8.257 7.936 0.321 1
1 917 . 6 1 1 A 76 76 VAL HA H 76 3.472 3.433 0.039 1
1 925 . 6 1 1 A 76 76 VAL C C 76 177.639 177.759 -0.120 1
1 926 . 6 1 1 A 76 76 VAL CA C 76 67.080 66.763 0.317 1
1 927 . 6 1 1 A 76 76 VAL CB C 76 30.945 31.406 -0.461 1
1 930 . 6 1 1 A 76 76 VAL N N 76 116.281 118.344 -2.063 1
1 931 . 6 1 1 A 77 77 ASN H H 77 8.190 8.421 -0.231 1
1 932 . 6 1 1 A 77 77 ASN HA H 77 4.430 4.393 0.037 1
1 937 . 6 1 1 A 77 77 ASN C C 77 178.638 177.872 0.766 1
1 938 . 6 1 1 A 77 77 ASN CA C 77 56.666 56.655 0.011 1
1 939 . 6 1 1 A 77 77 ASN CB C 77 37.950 39.480 -1.530 1
1 940 . 6 1 1 A 77 77 ASN N N 77 118.786 118.730 0.056 1
1 942 . 6 1 1 A 78 78 LEU H H 78 8.222 8.124 0.098 1
1 943 . 6 1 1 A 78 78 LEU HA H 78 4.045 3.986 0.059 1
1 953 . 6 1 1 A 78 78 LEU C C 78 180.246 179.654 0.592 1
1 954 . 6 1 1 A 78 78 LEU CA C 78 57.926 58.361 -0.435 1
1 955 . 6 1 1 A 78 78 LEU CB C 78 41.892 41.561 0.331 1
1 959 . 6 1 1 A 78 78 LEU N N 78 121.759 120.127 1.632 1
1 960 . 6 1 1 A 79 79 LEU H H 79 7.887 7.994 -0.107 1
1 961 . 6 1 1 A 79 79 LEU HA H 79 4.051 3.883 0.168 1
1 971 . 6 1 1 A 79 79 LEU C C 79 179.804 179.439 0.365 1
1 972 . 6 1 1 A 79 79 LEU CA C 79 57.788 58.078 -0.290 1
1 973 . 6 1 1 A 79 79 LEU CB C 79 41.616 41.225 0.391 1
1 977 . 6 1 1 A 79 79 LEU N N 79 118.127 119.023 -0.896 1
1 978 . 6 1 1 A 80 80 ARG H H 80 8.942 8.448 0.494 1
1 979 . 6 1 1 A 80 80 ARG HA H 80 4.516 4.559 -0.043 1
1 987 . 6 1 1 A 80 80 ARG C C 80 181.546 178.511 3.035 1
1 988 . 6 1 1 A 80 80 ARG CA C 80 60.006 58.701 1.305 1
1 989 . 6 1 1 A 80 80 ARG CB C 80 29.510 30.083 -0.573 1
1 992 . 6 1 1 A 80 80 ARG N N 80 120.974 118.727 2.247 1
1 994 . 6 1 1 A 81 81 SER H H 81 8.394 8.262 0.132 1
1 995 . 6 1 1 A 81 81 SER HA H 81 4.307 4.194 0.113 1
1 998 . 6 1 1 A 81 81 SER C C 81 174.601 176.523 -1.922 1
1 999 . 6 1 1 A 81 81 SER CA C 81 61.570 61.340 0.230 1
1 1000 . 6 1 1 A 81 81 SER CB C 81 62.832 63.191 -0.359 1
1 1001 . 6 1 1 A 81 81 SER N N 81 116.329 115.155 1.174 1
1 1002 . 6 1 1 A 82 82 ALA H H 82 7.507 7.523 -0.016 1
1 1003 . 6 1 1 A 82 82 ALA HA H 82 4.546 4.406 0.140 1
1 1007 . 6 1 1 A 82 82 ALA C C 82 176.449 177.824 -1.375 1
1 1008 . 6 1 1 A 82 82 ALA CA C 82 51.759 52.142 -0.383 1
1 1009 . 6 1 1 A 82 82 ALA CB C 82 18.850 19.465 -0.615 1
1 1010 . 6 1 1 A 82 82 ALA N N 82 122.576 119.701 2.875 1
1 1011 . 6 1 1 A 83 83 GLY H H 83 7.678 7.878 -0.200 1
1 1012 . 6 1 1 A 83 83 GLY HA2 H 83 3.623 3.910 -0.287 1
1 1013 . 6 1 1 A 83 83 GLY HA3 H 83 4.217 3.976 0.241 1
1 1014 . 6 1 1 A 83 83 GLY C C 83 174.557 174.672 -0.115 1
1 1015 . 6 1 1 A 83 83 GLY CA C 83 44.741 45.135 -0.394 1
1 1016 . 6 1 1 A 83 83 GLY N N 83 104.117 106.790 -2.673 1
1 1017 . 6 1 1 A 84 84 PHE H H 84 7.923 7.779 0.144 1
1 1018 . 6 1 1 A 84 84 PHE HA H 84 4.254 4.417 -0.163 1
1 1026 . 6 1 1 A 84 84 PHE C C 84 176.479 175.762 0.717 1
1 1027 . 6 1 1 A 84 84 PHE CA C 84 60.127 59.321 0.806 1
1 1028 . 6 1 1 A 84 84 PHE CB C 84 36.999 38.946 -1.947 1
1 1034 . 6 1 1 A 84 84 PHE N N 84 119.861 119.531 0.330 1
1 1035 . 6 1 1 A 85 85 GLU H H 85 7.730 9.465 -1.735 1
1 1036 . 6 1 1 A 85 85 GLU HA H 85 3.965 4.434 -0.469 1
1 1041 . 6 1 1 A 85 85 GLU C C 85 176.966 176.716 0.250 1
1 1042 . 6 1 1 A 85 85 GLU CA C 85 57.841 58.453 -0.612 1
1 1043 . 6 1 1 A 85 85 GLU CB C 85 32.054 30.988 1.066 1
1 1045 . 6 1 1 A 85 85 GLU N N 85 122.200 123.968 -1.768 1
1 1046 . 6 1 1 A 86 86 HIS H H 86 9.957 7.786 2.171 1
1 1047 . 6 1 1 A 86 86 HIS HA H 86 4.988 4.868 0.120 1
1 1052 . 6 1 1 A 86 86 HIS C C 86 171.400 173.996 -2.596 1
1 1053 . 6 1 1 A 86 86 HIS CA C 86 53.063 54.842 -1.779 1
1 1054 . 6 1 1 A 86 86 HIS CB C 86 29.823 28.058 1.765 1
1 1057 . 6 1 1 A 86 86 HIS N N 86 122.245 116.045 6.200 1
1 1060 . 6 1 1 A 87 87 VAL H H 87 8.233 8.641 -0.408 1
1 1061 . 6 1 1 A 87 87 VAL HA H 87 4.934 4.800 0.134 1
1 1069 . 6 1 1 A 87 87 VAL C C 87 175.510 174.042 1.468 1
1 1070 . 6 1 1 A 87 87 VAL CA C 87 59.972 60.924 -0.952 1
1 1071 . 6 1 1 A 87 87 VAL CB C 87 33.883 35.373 -1.490 1
1 1074 . 6 1 1 A 87 87 VAL N N 87 120.946 124.354 -3.408 1
1 1075 . 6 1 1 A 88 88 SER H H 88 8.968 8.924 0.044 1
1 1076 . 6 1 1 A 88 88 SER HA H 88 4.869 5.182 -0.313 1
1 1079 . 6 1 1 A 88 88 SER C C 88 174.093 173.017 1.076 1
1 1080 . 6 1 1 A 88 88 SER CA C 88 55.935 56.303 -0.368 1
1 1081 . 6 1 1 A 88 88 SER CB C 88 66.077 65.281 0.796 1
1 1082 . 6 1 1 A 88 88 SER N N 88 121.913 122.371 -0.458 1
1 1083 . 6 1 1 A 89 89 GLU H H 89 8.628 8.536 0.092 1
1 1084 . 6 1 1 A 89 89 GLU HA H 89 4.233 4.486 -0.253 1
1 1089 . 6 1 1 A 89 89 GLU C C 89 175.212 175.682 -0.470 1
1 1090 . 6 1 1 A 89 89 GLU CA C 89 55.728 56.253 -0.525 1
1 1091 . 6 1 1 A 89 89 GLU CB C 89 31.640 29.866 1.774 1
1 1093 . 6 1 1 A 89 89 GLU N N 89 125.288 123.900 1.388 1
1 1094 . 6 1 1 A 90 90 LEU H H 90 8.727 8.752 -0.025 1
1 1095 . 6 1 1 A 90 90 LEU HA H 90 4.829 4.944 -0.115 1
1 1105 . 6 1 1 A 90 90 LEU C C 90 175.893 175.892 0.001 1
1 1106 . 6 1 1 A 90 90 LEU CA C 90 53.771 55.255 -1.484 1
1 1107 . 6 1 1 A 90 90 LEU CB C 90 41.511 43.180 -1.669 1
1 1111 . 6 1 1 A 90 90 LEU N N 90 125.766 126.360 -0.594 1
1 1112 . 6 1 1 A 91 91 LYS H H 91 8.715 9.003 -0.288 1
1 1113 . 6 1 1 A 91 91 LYS HA H 91 4.164 4.272 -0.108 1
1 1122 . 6 1 1 A 91 91 LYS C C 91 177.680 177.240 0.440 1
1 1123 . 6 1 1 A 91 91 LYS CA C 91 57.796 57.435 0.361 1
1 1124 . 6 1 1 A 91 91 LYS CB C 91 31.705 31.911 -0.206 1
1 1128 . 6 1 1 A 91 91 LYS N N 91 131.405 126.762 4.643 1
1 1129 . 6 1 1 A 92 92 GLY H H 92 9.408 8.496 0.912 1
1 1130 . 6 1 1 A 92 92 GLY HA2 H 92 3.828 4.017 -0.189 1
1 1131 . 6 1 1 A 92 92 GLY HA3 H 92 4.268 4.030 0.238 1
1 1132 . 6 1 1 A 92 92 GLY C C 92 175.634 174.662 0.972 1
1 1133 . 6 1 1 A 92 92 GLY CA C 92 46.001 45.042 0.959 1
1 1134 . 6 1 1 A 92 92 GLY N N 92 115.262 112.183 3.079 1
1 1135 . 6 1 1 A 93 93 GLY H H 93 7.616 8.694 -1.078 1
1 1136 . 6 1 1 A 93 93 GLY HA2 H 93 3.429 4.118 -0.689 1
1 1137 . 6 1 1 A 93 93 GLY HA3 H 93 4.276 4.188 0.088 1
1 1138 . 6 1 1 A 93 93 GLY C C 93 172.357 174.892 -2.535 1
1 1139 . 6 1 1 A 93 93 GLY CA C 93 46.436 45.956 0.480 1
1 1140 . 6 1 1 A 93 93 GLY N N 93 106.201 108.869 -2.668 1
1 1141 . 6 1 1 A 94 94 LEU H H 94 8.854 9.039 -0.185 1
1 1142 . 6 1 1 A 94 94 LEU HA H 94 3.643 4.164 -0.521 1
1 1152 . 6 1 1 A 94 94 LEU C C 94 178.092 178.675 -0.583 1
1 1153 . 6 1 1 A 94 94 LEU CA C 94 56.966 57.571 -0.605 1
1 1154 . 6 1 1 A 94 94 LEU CB C 94 41.937 41.674 0.263 1
1 1158 . 6 1 1 A 94 94 LEU N N 94 124.279 125.468 -1.189 1
1 1159 . 6 1 1 A 95 95 ALA H H 95 8.683 8.339 0.344 1
1 1160 . 6 1 1 A 95 95 ALA HA H 95 4.061 4.044 0.017 1
1 1164 . 6 1 1 A 95 95 ALA C C 95 180.877 179.727 1.150 1
1 1165 . 6 1 1 A 95 95 ALA CA C 95 55.406 55.657 -0.251 1
1 1166 . 6 1 1 A 95 95 ALA CB C 95 18.053 18.189 -0.136 1
1 1167 . 6 1 1 A 95 95 ALA N N 95 120.253 120.859 -0.606 1
1 1168 . 6 1 1 A 96 96 ALA H H 96 7.249 7.610 -0.361 1
1 1169 . 6 1 1 A 96 96 ALA HA H 96 4.132 4.053 0.079 1
1 1173 . 6 1 1 A 96 96 ALA C C 96 179.350 179.574 -0.224 1
1 1174 . 6 1 1 A 96 96 ALA CA C 96 54.429 55.026 -0.597 1
1 1175 . 6 1 1 A 96 96 ALA CB C 96 18.580 18.452 0.128 1
1 1176 . 6 1 1 A 96 96 ALA N N 96 121.080 119.421 1.659 1
1 1177 . 6 1 1 A 97 97 TRP H H 97 7.636 8.008 -0.372 1
1 1178 . 6 1 1 A 97 97 TRP HA H 97 4.051 4.158 -0.107 1
1 1187 . 6 1 1 A 97 97 TRP C C 97 178.223 178.230 -0.007 1
1 1188 . 6 1 1 A 97 97 TRP CA C 97 59.343 61.620 -2.277 1
1 1189 . 6 1 1 A 97 97 TRP CB C 97 29.734 29.942 -0.208 1
1 1195 . 6 1 1 A 97 97 TRP N N 97 119.015 121.072 -2.057 1
1 1197 . 6 1 1 A 98 98 LYS H H 98 8.764 8.426 0.338 1
1 1198 . 6 1 1 A 98 98 LYS HA H 98 3.886 4.069 -0.183 1
1 1207 . 6 1 1 A 98 98 LYS C C 98 180.503 179.279 1.224 1
1 1208 . 6 1 1 A 98 98 LYS CA C 98 59.365 59.368 -0.003 1
1 1209 . 6 1 1 A 98 98 LYS CB C 98 31.899 32.249 -0.350 1
1 1213 . 6 1 1 A 98 98 LYS N N 98 117.855 118.648 -0.793 1
1 1214 . 6 1 1 A 99 99 ALA H H 99 7.802 8.427 -0.625 1
1 1215 . 6 1 1 A 99 99 ALA HA H 99 4.139 4.102 0.037 1
1 1219 . 6 1 1 A 99 99 ALA C C 99 179.188 179.357 -0.169 1
1 1220 . 6 1 1 A 99 99 ALA CA C 99 54.521 55.013 -0.492 1
1 1221 . 6 1 1 A 99 99 ALA CB C 99 18.016 18.285 -0.269 1
1 1222 . 6 1 1 A 99 99 ALA N N 99 121.263 121.470 -0.207 1
1 1223 . 6 1 1 A 100 100 ILE H H 100 6.803 7.468 -0.665 1
1 1224 . 6 1 1 A 100 100 ILE HA H 100 4.509 4.101 0.408 1
1 1234 . 6 1 1 A 100 100 ILE C C 100 175.810 176.194 -0.384 1
1 1235 . 6 1 1 A 100 100 ILE CA C 100 59.964 60.753 -0.789 1
1 1236 . 6 1 1 A 100 100 ILE CB C 100 37.866 37.327 0.539 1
1 1240 . 6 1 1 A 100 100 ILE N N 100 107.978 111.019 -3.041 1
1 1241 . 6 1 1 A 101 101 GLY H H 101 7.741 7.770 -0.029 1
1 1242 . 6 1 1 A 101 101 GLY HA2 H 101 3.618 3.886 -0.268 1
1 1243 . 6 1 1 A 101 101 GLY HA3 H 101 3.866 3.891 -0.025 1
1 1244 . 6 1 1 A 101 101 GLY C C 101 175.319 175.181 0.138 1
1 1245 . 6 1 1 A 101 101 GLY CA C 101 45.444 46.246 -0.802 1
1 1246 . 6 1 1 A 101 101 GLY N N 101 109.732 111.470 -1.738 1
1 1247 . 6 1 1 A 102 102 GLY H H 102 7.823 8.002 -0.179 1
1 1248 . 6 1 1 A 102 102 GLY HA2 H 102 2.942 2.768 0.174 1
1 1249 . 6 1 1 A 102 102 GLY HA3 H 102 2.942 3.520 -0.578 1
1 1250 . 6 1 1 A 102 102 GLY C C 102 171.578 173.045 -1.467 1
1 1251 . 6 1 1 A 102 102 GLY CA C 102 41.964 44.380 -2.416 1
1 1252 . 6 1 1 A 102 102 GLY N N 102 108.608 107.505 1.103 1
1 1253 . 6 1 1 A 103 103 PRO HA H 103 4.643 4.593 0.050 1
1 1260 . 6 1 1 A 103 103 PRO C C 103 178.778 176.687 2.091 1
1 1261 . 6 1 1 A 103 103 PRO CA C 103 62.843 63.380 -0.537 1
1 1262 . 6 1 1 A 103 103 PRO CB C 103 32.263 32.040 0.223 1
1 1265 . 6 1 1 A 104 104 THR H H 104 8.760 8.534 0.226 1
1 1266 . 6 1 1 A 104 104 THR HA H 104 5.017 5.151 -0.134 1
1 1271 . 6 1 1 A 104 104 THR C C 104 172.498 173.181 -0.683 1
1 1272 . 6 1 1 A 104 104 THR CA C 104 59.729 59.434 0.295 1
1 1273 . 6 1 1 A 104 104 THR CB C 104 72.479 72.245 0.234 1
1 1275 . 6 1 1 A 104 104 THR N N 104 116.086 112.629 3.457 1
1 1276 . 6 1 1 A 105 105 GLU H H 105 8.267 8.688 -0.421 1
1 1277 . 6 1 1 A 105 105 GLU HA H 105 4.499 4.890 -0.391 1
1 1282 . 6 1 1 A 105 105 GLU C C 105 173.848 174.974 -1.126 1
1 1283 . 6 1 1 A 105 105 GLU CA C 105 54.647 54.613 0.034 1
1 1284 . 6 1 1 A 105 105 GLU CB C 105 34.227 32.428 1.799 1
1 1286 . 6 1 1 A 105 105 GLU N N 105 117.663 120.563 -2.900 1
1 1287 . 6 1 1 A 106 106 GLY H H 106 8.207 8.320 -0.113 1
1 1288 . 6 1 1 A 106 106 GLY HA2 H 106 3.873 4.108 -0.235 1
1 1289 . 6 1 1 A 106 106 GLY HA3 H 106 3.873 4.163 -0.290 1
1 1290 . 6 1 1 A 106 106 GLY C C 106 173.052 174.420 -1.368 1
1 1291 . 6 1 1 A 106 106 GLY CA C 106 44.313 44.377 -0.064 1
1 1292 . 6 1 1 A 106 106 GLY N N 106 108.896 108.158 0.738 1
1 1293 . 6 1 1 A 107 107 ILE H H 107 8.333 9.111 -0.778 1
1 1294 . 6 1 1 A 107 107 ILE HA H 107 4.110 4.105 0.005 1
1 1304 . 6 1 1 A 107 107 ILE C C 107 176.773 177.819 -1.046 1
1 1305 . 6 1 1 A 107 107 ILE CA C 107 62.404 63.680 -1.276 1
1 1306 . 6 1 1 A 107 107 ILE CB C 107 38.826 38.183 0.643 1
1 1310 . 6 1 1 A 107 107 ILE N N 107 119.410 119.714 -0.304 1
1 1311 . 6 1 1 A 108 108 ILE H H 108 8.369 7.797 0.572 1
1 1312 . 6 1 1 A 108 108 ILE HA H 108 4.167 3.756 0.411 1
1 1322 . 6 1 1 A 108 108 ILE C C 108 176.821 178.056 -1.235 1
1 1323 . 6 1 1 A 108 108 ILE CA C 108 61.060 64.147 -3.087 1
1 1324 . 6 1 1 A 108 108 ILE CB C 108 37.984 36.850 1.134 1
1 1328 . 6 1 1 A 108 108 ILE N N 108 122.390 120.197 2.193 1
1 1329 . 6 1 1 A 109 109 GLU H H 109 8.127 7.935 0.192 1
1 1330 . 6 1 1 A 109 109 GLU HA H 109 4.218 4.109 0.109 1
1 1335 . 6 1 1 A 109 109 GLU C C 109 176.438 177.410 -0.972 1
1 1336 . 6 1 1 A 109 109 GLU CA C 109 56.548 58.921 -2.373 1
1 1337 . 6 1 1 A 109 109 GLU CB C 109 30.178 29.297 0.881 1
1 1339 . 6 1 1 A 109 109 GLU N N 109 123.739 121.729 2.010 1
1 1340 . 6 1 1 A 110 110 SER H H 110 8.291 7.585 0.706 1
1 1341 . 6 1 1 A 110 110 SER HA H 110 4.446 4.723 -0.277 1
1 1344 . 6 1 1 A 110 110 SER C C 110 174.330 173.916 0.414 1
1 1345 . 6 1 1 A 110 110 SER CA C 110 58.252 58.447 -0.195 1
1 1346 . 6 1 1 A 110 110 SER CB C 110 63.598 63.912 -0.314 1
1 1347 . 6 1 1 A 110 110 SER N N 110 116.242 113.502 2.740 1
1 1348 . 6 1 1 A 111 111 ARG H H 111 8.238 7.899 0.339 1
1 1349 . 6 1 1 A 111 111 ARG HA H 111 4.426 4.692 -0.266 1
1 1357 . 6 1 1 A 111 111 ARG C C 111 176.113 175.159 0.954 1
1 1358 . 6 1 1 A 111 111 ARG CA C 111 55.848 53.949 1.899 1
1 1359 . 6 1 1 A 111 111 ARG CB C 111 30.755 33.584 -2.829 1
1 1362 . 6 1 1 A 111 111 ARG N N 111 122.827 117.028 5.799 1
1 1364 . 6 1 1 A 112 112 THR H H 112 8.229 8.563 -0.334 1
1 1365 . 6 1 1 A 112 112 THR HA H 112 4.573 3.902 0.671 1
1 1370 . 6 1 1 A 112 112 THR C C 112 172.790 173.292 -0.502 1
1 1371 . 6 1 1 A 112 112 THR CA C 112 59.716 63.181 -3.465 1
1 1372 . 6 1 1 A 112 112 THR CB C 112 69.503 66.280 3.223 1
1 1374 . 6 1 1 A 112 112 THR N N 112 117.863 110.870 6.993 1
1 1375 . 6 1 1 A 113 113 PRO HA H 113 4.388 4.742 -0.354 1
1 1382 . 6 1 1 A 113 113 PRO C C 113 176.605 176.494 0.111 1
1 1383 . 6 1 1 A 113 113 PRO CA C 113 63.131 62.621 0.510 1
1 1384 . 6 1 1 A 113 113 PRO CB C 113 31.931 32.054 -0.123 1
1 1387 . 6 1 1 A 114 114 ALA H H 114 8.422 8.449 -0.027 1
1 1388 . 6 1 1 A 114 114 ALA HA H 114 4.284 4.795 -0.511 1
1 1392 . 6 1 1 A 114 114 ALA C C 114 178.251 175.998 2.253 1
1 1393 . 6 1 1 A 114 114 ALA CA C 114 52.518 51.232 1.286 1
1 1394 . 6 1 1 A 114 114 ALA CB C 114 19.131 23.096 -3.965 1
1 1395 . 6 1 1 A 114 114 ALA N N 114 124.466 122.886 1.580 1
1 1396 . 6 1 1 A 115 115 GLY H H 115 8.380 8.607 -0.227 1
1 1397 . 6 1 1 A 115 115 GLY HA2 H 115 3.956 4.220 -0.264 1
1 1398 . 6 1 1 A 115 115 GLY HA3 H 115 3.934 4.221 -0.287 1
1 1399 . 6 1 1 A 115 115 GLY C C 115 174.020 173.232 0.788 1
1 1400 . 6 1 1 A 115 115 GLY CA C 115 45.095 45.376 -0.281 1
1 1401 . 6 1 1 A 115 115 GLY N N 115 108.587 105.612 2.975 1
1 1402 . 6 1 1 A 116 116 ALA H H 116 8.127 8.653 -0.526 1
1 1403 . 6 1 1 A 116 116 ALA HA H 116 4.292 5.129 -0.837 1
1 1407 . 6 1 1 A 116 116 ALA C C 116 177.565 176.560 1.005 1
1 1408 . 6 1 1 A 116 116 ALA CA C 116 52.504 50.899 1.605 1
1 1409 . 6 1 1 A 116 116 ALA CB C 116 19.187 21.706 -2.519 1
1 1410 . 6 1 1 A 116 116 ALA N N 116 123.523 125.982 -2.459 1
1 1411 . 6 1 1 A 117 117 ASP H H 117 8.316 8.868 -0.552 1
1 1412 . 6 1 1 A 117 117 ASP HA H 117 4.555 4.826 -0.271 1
1 1415 . 6 1 1 A 117 117 ASP C C 117 175.899 175.263 0.636 1
1 1416 . 6 1 1 A 117 117 ASP CA C 117 54.254 52.795 1.459 1
1 1417 . 6 1 1 A 117 117 ASP CB C 117 40.962 42.331 -1.369 1
1 1418 . 6 1 1 A 117 117 ASP N N 117 118.783 124.261 -5.478 1
1 1419 . 6 1 1 A 118 118 ASP H H 118 8.083 8.858 -0.775 1
1 1420 . 6 1 1 A 118 118 ASP HA H 118 4.529 5.304 -0.775 1
1 1423 . 6 1 1 A 118 118 ASP C C 118 176.278 173.538 2.740 1
1 1424 . 6 1 1 A 118 118 ASP CA C 118 54.202 52.976 1.226 1
1 1425 . 6 1 1 A 118 118 ASP CB C 118 40.933 44.246 -3.313 1
1 1426 . 6 1 1 A 118 118 ASP N N 118 119.935 117.288 2.647 1
1 1427 . 6 1 1 A 119 119 TYR H H 119 8.107 8.741 -0.634 1
1 1428 . 6 1 1 A 119 119 TYR HA H 119 4.450 5.126 -0.676 1
1 1435 . 6 1 1 A 119 119 TYR C C 119 175.825 174.146 1.679 1
1 1436 . 6 1 1 A 119 119 TYR CA C 119 58.350 57.357 0.993 1
1 1437 . 6 1 1 A 119 119 TYR CB C 119 38.260 41.914 -3.654 1
1 1442 . 6 1 1 A 119 119 TYR N N 119 120.415 120.833 -0.418 1
1 1443 . 6 1 1 A 120 120 ASN H H 120 8.276 8.586 -0.310 1
1 1444 . 6 1 1 A 120 120 ASN HA H 120 4.615 4.788 -0.173 1
1 1449 . 6 1 1 A 120 120 ASN C C 120 175.102 174.804 0.298 1
1 1450 . 6 1 1 A 120 120 ASN CA C 120 53.396 52.710 0.686 1
1 1451 . 6 1 1 A 120 120 ASN CB C 120 38.712 37.609 1.103 1
1 1452 . 6 1 1 A 120 120 ASN N N 120 119.834 125.389 -5.555 1
1 1454 . 6 1 1 A 121 121 VAL H H 121 7.897 7.948 -0.051 1
1 1455 . 6 1 1 A 121 121 VAL HA H 121 4.009 4.233 -0.224 1
1 1463 . 6 1 1 A 121 121 VAL C C 121 176.484 175.091 1.393 1
1 1464 . 6 1 1 A 121 121 VAL CA C 121 62.950 61.891 1.059 1
1 1465 . 6 1 1 A 121 121 VAL CB C 121 32.326 31.681 0.645 1
1 1468 . 6 1 1 A 121 121 VAL N N 121 120.109 123.643 -3.534 1
1 1469 . 6 1 1 A 122 122 VAL H H 122 8.091 8.389 -0.298 1
1 1470 . 6 1 1 A 122 122 VAL HA H 122 4.014 4.728 -0.714 1
1 1478 . 6 1 1 A 122 122 VAL C C 122 176.568 173.899 2.669 1
1 1479 . 6 1 1 A 122 122 VAL CA C 122 62.924 60.484 2.440 1
1 1480 . 6 1 1 A 122 122 VAL CB C 122 32.279 33.916 -1.637 1
1 1483 . 6 1 1 A 122 122 VAL N N 122 122.407 126.482 -4.075 1
1 1484 . 6 1 1 A 123 123 SER H H 123 8.228 8.595 -0.367 1
1 1485 . 6 1 1 A 123 123 SER HA H 123 4.385 5.060 -0.675 1
1 1488 . 6 1 1 A 123 123 SER C C 123 174.863 172.512 2.351 1
1 1489 . 6 1 1 A 123 123 SER CA C 123 58.525 57.483 1.042 1
1 1490 . 6 1 1 A 123 123 SER CB C 123 63.450 64.433 -0.983 1
1 1491 . 6 1 1 A 123 123 SER N N 123 118.095 123.108 -5.013 1
1 1492 . 6 1 1 A 124 124 ARG H H 124 8.208 9.040 -0.832 1
1 1493 . 6 1 1 A 124 124 ARG HA H 124 4.297 5.220 -0.923 1
1 1500 . 6 1 1 A 124 124 ARG C C 124 176.328 174.613 1.715 1
1 1501 . 6 1 1 A 124 124 ARG CA C 124 56.408 54.832 1.576 1
1 1502 . 6 1 1 A 124 124 ARG CB C 124 30.480 33.301 -2.821 1
1 1505 . 6 1 1 A 124 124 ARG N N 124 122.632 129.304 -6.672 1
1 1506 . 6 1 1 A 125 125 LEU H H 125 8.081 8.833 -0.752 1
1 1507 . 6 1 1 A 125 125 LEU HA H 125 4.262 5.110 -0.848 1
1 1517 . 6 1 1 A 125 125 LEU C C 125 177.375 174.750 2.625 1
1 1518 . 6 1 1 A 125 125 LEU CA C 125 55.282 53.290 1.992 1
1 1519 . 6 1 1 A 125 125 LEU CB C 125 42.042 46.311 -4.269 1
1 1523 . 6 1 1 A 125 125 LEU N N 125 121.964 122.336 -0.372 1
1 1524 . 6 1 1 A 126 126 GLU H H 126 8.232 8.818 -0.586 1
1 1525 . 6 1 1 A 126 126 GLU HA H 126 4.179 5.064 -0.885 1
1 1530 . 6 1 1 A 126 126 GLU C C 126 176.238 174.650 1.588 1
1 1531 . 6 1 1 A 126 126 GLU CA C 126 56.451 54.749 1.702 1
1 1532 . 6 1 1 A 126 126 GLU CB C 126 30.131 33.308 -3.177 1
1 14 . 7 1 1 A 2 2 GLU H H 2 8.824 8.584 0.240 1
1 15 . 7 1 1 A 2 2 GLU HA H 2 4.687 4.430 0.257 1
1 20 . 7 1 1 A 2 2 GLU C C 2 175.506 176.579 -1.073 1
1 21 . 7 1 1 A 2 2 GLU CA C 2 54.603 54.740 -0.137 1
1 22 . 7 1 1 A 2 2 GLU CB C 2 29.310 29.002 0.308 1
1 24 . 7 1 1 A 2 2 GLU N N 2 125.698 120.062 5.636 1
1 25 . 7 1 1 A 3 3 PRO HA H 3 4.398 4.395 0.003 1
1 32 . 7 1 1 A 3 3 PRO C C 3 176.267 176.524 -0.257 1
1 33 . 7 1 1 A 3 3 PRO CA C 3 64.781 64.439 0.342 1
1 34 . 7 1 1 A 3 3 PRO CB C 3 31.918 32.014 -0.096 1
1 37 . 7 1 1 A 4 4 GLN H H 4 7.738 7.869 -0.131 1
1 38 . 7 1 1 A 4 4 GLN HA H 4 4.908 4.910 -0.002 1
1 45 . 7 1 1 A 4 4 GLN C C 4 175.006 174.308 0.698 1
1 46 . 7 1 1 A 4 4 GLN CA C 4 54.697 54.261 0.436 1
1 47 . 7 1 1 A 4 4 GLN CB C 4 31.196 32.705 -1.509 1
1 49 . 7 1 1 A 4 4 GLN N N 4 114.971 118.741 -3.770 1
1 51 . 7 1 1 A 5 5 SER H H 5 9.180 9.087 0.093 1
1 52 . 7 1 1 A 5 5 SER HA H 5 4.825 5.029 -0.204 1
1 55 . 7 1 1 A 5 5 SER C C 5 172.669 172.369 0.300 1
1 56 . 7 1 1 A 5 5 SER CA C 5 58.100 57.598 0.502 1
1 57 . 7 1 1 A 5 5 SER CB C 5 65.536 65.886 -0.350 1
1 58 . 7 1 1 A 5 5 SER N N 5 117.801 118.271 -0.470 1
1 59 . 7 1 1 A 6 6 ASP H H 6 8.386 8.605 -0.219 1
1 60 . 7 1 1 A 6 6 ASP HA H 6 4.841 4.621 0.220 1
1 63 . 7 1 1 A 6 6 ASP C C 6 177.071 177.208 -0.137 1
1 64 . 7 1 1 A 6 6 ASP CA C 6 53.810 54.331 -0.521 1
1 65 . 7 1 1 A 6 6 ASP CB C 6 42.427 42.859 -0.432 1
1 66 . 7 1 1 A 6 6 ASP N N 6 123.042 126.301 -3.259 1
1 67 . 7 1 1 A 7 7 ALA H H 7 9.312 8.835 0.477 1
1 68 . 7 1 1 A 7 7 ALA HA H 7 4.036 4.131 -0.095 1
1 72 . 7 1 1 A 7 7 ALA C C 7 178.859 179.984 -1.125 1
1 73 . 7 1 1 A 7 7 ALA CA C 7 55.703 55.156 0.547 1
1 74 . 7 1 1 A 7 7 ALA CB C 7 17.952 18.410 -0.458 1
1 75 . 7 1 1 A 7 7 ALA N N 7 123.976 127.589 -3.613 1
1 76 . 7 1 1 A 8 8 HIS H H 8 8.537 7.430 1.107 1
1 77 . 7 1 1 A 8 8 HIS HA H 8 3.950 4.314 -0.364 1
1 82 . 7 1 1 A 8 8 HIS C C 8 178.023 177.934 0.089 1
1 83 . 7 1 1 A 8 8 HIS CA C 8 59.778 57.947 1.831 1
1 84 . 7 1 1 A 8 8 HIS CB C 8 29.039 28.498 0.541 1
1 87 . 7 1 1 A 8 8 HIS N N 8 114.303 115.569 -1.266 1
1 90 . 7 1 1 A 9 9 VAL H H 9 7.567 8.042 -0.475 1
1 91 . 7 1 1 A 9 9 VAL HA H 9 3.709 3.527 0.182 1
1 99 . 7 1 1 A 9 9 VAL C C 9 178.518 178.292 0.226 1
1 100 . 7 1 1 A 9 9 VAL CA C 9 65.508 66.951 -1.443 1
1 101 . 7 1 1 A 9 9 VAL CB C 9 31.604 31.363 0.241 1
1 104 . 7 1 1 A 9 9 VAL N N 9 121.235 121.241 -0.006 1
1 105 . 7 1 1 A 10 10 LEU H H 10 7.219 8.200 -0.981 1
1 106 . 7 1 1 A 10 10 LEU HA H 10 3.716 3.932 -0.216 1
1 116 . 7 1 1 A 10 10 LEU C C 10 177.133 178.272 -1.139 1
1 117 . 7 1 1 A 10 10 LEU CA C 10 57.133 58.514 -1.381 1
1 118 . 7 1 1 A 10 10 LEU CB C 10 40.756 41.421 -0.665 1
1 122 . 7 1 1 A 10 10 LEU N N 10 120.890 120.259 0.631 1
1 123 . 7 1 1 A 11 11 LYS H H 11 8.568 8.397 0.171 1
1 124 . 7 1 1 A 11 11 LYS HA H 11 3.943 3.876 0.067 1
1 133 . 7 1 1 A 11 11 LYS C C 11 178.143 178.846 -0.703 1
1 134 . 7 1 1 A 11 11 LYS CA C 11 60.388 59.593 0.795 1
1 135 . 7 1 1 A 11 11 LYS CB C 11 32.354 31.874 0.480 1
1 139 . 7 1 1 A 11 11 LYS N N 11 120.361 119.640 0.721 1
1 140 . 7 1 1 A 12 12 SER H H 12 7.865 8.484 -0.619 1
1 141 . 7 1 1 A 12 12 SER HA H 12 4.225 4.409 -0.184 1
1 144 . 7 1 1 A 12 12 SER C C 12 175.839 177.006 -1.167 1
1 145 . 7 1 1 A 12 12 SER CA C 12 61.626 61.398 0.228 1
1 146 . 7 1 1 A 12 12 SER CB C 12 62.749 62.569 0.180 1
1 147 . 7 1 1 A 12 12 SER N N 12 113.173 115.546 -2.373 1
1 148 . 7 1 1 A 13 13 ARG H H 13 7.701 7.801 -0.100 1
1 149 . 7 1 1 A 13 13 ARG HA H 13 3.827 4.183 -0.356 1
1 157 . 7 1 1 A 13 13 ARG C C 13 178.606 178.641 -0.035 1
1 158 . 7 1 1 A 13 13 ARG CA C 13 58.926 58.790 0.136 1
1 159 . 7 1 1 A 13 13 ARG CB C 13 29.616 29.945 -0.329 1
1 162 . 7 1 1 A 13 13 ARG N N 13 122.104 122.472 -0.368 1
1 164 . 7 1 1 A 14 14 LEU H H 14 8.308 8.317 -0.009 1
1 165 . 7 1 1 A 14 14 LEU HA H 14 4.219 4.457 -0.238 1
1 175 . 7 1 1 A 14 14 LEU C C 14 178.590 178.710 -0.120 1
1 176 . 7 1 1 A 14 14 LEU CA C 14 57.904 58.194 -0.290 1
1 177 . 7 1 1 A 14 14 LEU CB C 14 42.627 42.181 0.446 1
1 181 . 7 1 1 A 14 14 LEU N N 14 119.549 121.133 -1.584 1
1 182 . 7 1 1 A 15 15 GLU H H 15 7.824 8.495 -0.671 1
1 183 . 7 1 1 A 15 15 GLU HA H 15 3.998 4.156 -0.158 1
1 188 . 7 1 1 A 15 15 GLU C C 15 177.805 178.047 -0.242 1
1 189 . 7 1 1 A 15 15 GLU CA C 15 58.219 59.087 -0.868 1
1 190 . 7 1 1 A 15 15 GLU CB C 15 29.865 30.480 -0.615 1
1 192 . 7 1 1 A 15 15 GLU N N 15 116.921 117.895 -0.974 1
1 193 . 7 1 1 A 16 16 TRP H H 16 7.905 8.477 -0.572 1
1 194 . 7 1 1 A 16 16 TRP HA H 16 4.895 4.853 0.042 1
1 203 . 7 1 1 A 16 16 TRP C C 16 176.778 176.436 0.342 1
1 204 . 7 1 1 A 16 16 TRP CA C 16 57.033 57.551 -0.518 1
1 205 . 7 1 1 A 16 16 TRP CB C 16 30.513 30.318 0.195 1
1 211 . 7 1 1 A 16 16 TRP N N 16 116.589 117.085 -0.496 1
1 213 . 7 1 1 A 17 17 GLY H H 17 8.007 7.674 0.333 1
1 214 . 7 1 1 A 17 17 GLY HA2 H 17 3.979 4.126 -0.147 1
1 215 . 7 1 1 A 17 17 GLY HA3 H 17 4.200 4.137 0.063 1
1 216 . 7 1 1 A 17 17 GLY C C 17 173.650 173.201 0.449 1
1 217 . 7 1 1 A 17 17 GLY CA C 17 44.786 44.803 -0.017 1
1 218 . 7 1 1 A 17 17 GLY N N 17 108.398 107.968 0.430 1
1 219 . 7 1 1 A 18 18 GLU H H 18 8.483 8.365 0.118 1
1 220 . 7 1 1 A 18 18 GLU HA H 18 4.534 4.893 -0.359 1
1 225 . 7 1 1 A 18 18 GLU C C 18 176.535 174.556 1.979 1
1 226 . 7 1 1 A 18 18 GLU CA C 18 54.615 53.733 0.882 1
1 227 . 7 1 1 A 18 18 GLU CB C 18 29.654 31.892 -2.238 1
1 229 . 7 1 1 A 18 18 GLU N N 18 121.984 122.605 -0.621 1
1 230 . 7 1 1 A 19 19 PRO HA H 19 4.549 4.085 0.464 1
1 237 . 7 1 1 A 19 19 PRO C C 19 176.737 176.384 0.353 1
1 238 . 7 1 1 A 19 19 PRO CA C 19 63.685 62.804 0.881 1
1 239 . 7 1 1 A 19 19 PRO CB C 19 30.940 31.527 -0.587 1
1 242 . 7 1 1 A 20 20 ALA H H 20 8.386 8.204 0.182 1
1 243 . 7 1 1 A 20 20 ALA HA H 20 4.536 4.548 -0.012 1
1 247 . 7 1 1 A 20 20 ALA C C 20 174.844 176.968 -2.124 1
1 248 . 7 1 1 A 20 20 ALA CA C 20 51.312 51.745 -0.433 1
1 249 . 7 1 1 A 20 20 ALA CB C 20 17.883 20.195 -2.312 1
1 250 . 7 1 1 A 20 20 ALA N N 20 126.537 124.111 2.426 1
1 251 . 7 1 1 A 21 21 PHE H H 21 7.244 7.142 0.102 1
1 252 . 7 1 1 A 21 21 PHE HA H 21 5.485 5.595 -0.110 1
1 260 . 7 1 1 A 21 21 PHE C C 21 173.639 172.986 0.653 1
1 261 . 7 1 1 A 21 21 PHE CA C 21 55.312 55.657 -0.345 1
1 262 . 7 1 1 A 21 21 PHE CB C 21 41.581 42.716 -1.135 1
1 268 . 7 1 1 A 21 21 PHE N N 21 115.447 115.220 0.227 1
1 269 . 7 1 1 A 22 22 THR H H 22 9.203 8.837 0.366 1
1 270 . 7 1 1 A 22 22 THR HA H 22 4.583 5.063 -0.480 1
1 275 . 7 1 1 A 22 22 THR C C 22 171.987 174.078 -2.091 1
1 276 . 7 1 1 A 22 22 THR CA C 22 62.368 61.596 0.772 1
1 277 . 7 1 1 A 22 22 THR CB C 22 72.961 70.670 2.291 1
1 279 . 7 1 1 A 22 22 THR N N 22 119.035 115.527 3.508 1
1 280 . 7 1 1 A 23 23 ILE H H 23 9.318 9.374 -0.056 1
1 281 . 7 1 1 A 23 23 ILE HA H 23 5.172 5.331 -0.159 1
1 291 . 7 1 1 A 23 23 ILE C C 23 173.969 174.822 -0.853 1
1 292 . 7 1 1 A 23 23 ILE CA C 23 59.958 59.849 0.109 1
1 293 . 7 1 1 A 23 23 ILE CB C 23 40.273 39.552 0.721 1
1 297 . 7 1 1 A 23 23 ILE N N 23 127.452 128.119 -0.667 1
1 298 . 7 1 1 A 24 24 LEU H H 24 9.522 9.479 0.043 1
1 299 . 7 1 1 A 24 24 LEU HA H 24 4.871 5.127 -0.256 1
1 309 . 7 1 1 A 24 24 LEU C C 24 172.823 175.099 -2.276 1
1 310 . 7 1 1 A 24 24 LEU CA C 24 53.100 53.097 0.003 1
1 311 . 7 1 1 A 24 24 LEU CB C 24 44.522 44.000 0.522 1
1 315 . 7 1 1 A 24 24 LEU N N 24 127.148 127.321 -0.173 1
1 316 . 7 1 1 A 25 25 ASP H H 25 8.325 9.083 -0.758 1
1 317 . 7 1 1 A 25 25 ASP HA H 25 4.112 4.158 -0.046 1
1 320 . 7 1 1 A 25 25 ASP C C 25 177.457 176.959 0.498 1
1 321 . 7 1 1 A 25 25 ASP CA C 25 51.097 53.117 -2.020 1
1 322 . 7 1 1 A 25 25 ASP CB C 25 43.056 41.036 2.020 1
1 323 . 7 1 1 A 25 25 ASP N N 25 122.856 124.357 -1.501 1
1 324 . 7 1 1 A 26 26 VAL H H 26 7.924 7.874 0.050 1
1 325 . 7 1 1 A 26 26 VAL HA H 26 4.964 4.909 0.055 1
1 333 . 7 1 1 A 26 26 VAL C C 26 176.585 176.658 -0.073 1
1 334 . 7 1 1 A 26 26 VAL CA C 26 59.554 61.101 -1.547 1
1 335 . 7 1 1 A 26 26 VAL CB C 26 30.002 31.808 -1.806 1
1 338 . 7 1 1 A 26 26 VAL N N 26 117.391 119.376 -1.985 1
1 339 . 7 1 1 A 27 27 ARG H H 27 7.773 7.450 0.323 1
1 340 . 7 1 1 A 27 27 ARG HA H 27 4.418 4.088 0.330 1
1 352 . 7 1 1 A 27 27 ARG C C 27 173.931 175.919 -1.988 1
1 353 . 7 1 1 A 27 27 ARG CA C 27 55.487 58.193 -2.706 1
1 354 . 7 1 1 A 27 27 ARG CB C 27 30.337 30.785 -0.448 1
1 357 . 7 1 1 A 27 27 ARG N N 27 121.126 121.287 -0.161 1
1 361 . 7 1 1 A 28 28 ASP H H 28 7.792 7.745 0.047 1
1 362 . 7 1 1 A 28 28 ASP HA H 28 4.431 4.802 -0.371 1
1 365 . 7 1 1 A 28 28 ASP C C 28 176.402 175.924 0.478 1
1 366 . 7 1 1 A 28 28 ASP CA C 28 54.427 53.742 0.685 1
1 367 . 7 1 1 A 28 28 ASP CB C 28 41.498 43.864 -2.366 1
1 368 . 7 1 1 A 28 28 ASP N N 28 115.368 114.877 0.491 1
1 369 . 7 1 1 A 29 29 ARG H H 29 8.781 8.723 0.058 1
1 370 . 7 1 1 A 29 29 ARG HA H 29 3.853 3.883 -0.030 1
1 378 . 7 1 1 A 29 29 ARG C C 29 177.811 177.756 0.055 1
1 379 . 7 1 1 A 29 29 ARG CA C 29 58.920 59.559 -0.639 1
1 380 . 7 1 1 A 29 29 ARG CB C 29 29.762 30.037 -0.275 1
1 383 . 7 1 1 A 29 29 ARG N N 29 121.538 125.582 -4.044 1
1 385 . 7 1 1 A 30 30 SER H H 30 8.478 8.273 0.205 1
1 386 . 7 1 1 A 30 30 SER HA H 30 4.190 4.225 -0.035 1
1 389 . 7 1 1 A 30 30 SER C C 30 176.814 177.047 -0.233 1
1 390 . 7 1 1 A 30 30 SER CA C 30 61.929 61.181 0.748 1
1 391 . 7 1 1 A 30 30 SER CB C 30 62.051 62.436 -0.385 1
1 392 . 7 1 1 A 30 30 SER N N 30 113.937 115.430 -1.493 1
1 393 . 7 1 1 A 31 31 THR H H 31 7.724 8.038 -0.314 1
1 394 . 7 1 1 A 31 31 THR HA H 31 4.096 3.962 0.134 1
1 399 . 7 1 1 A 31 31 THR C C 31 176.940 176.213 0.727 1
1 400 . 7 1 1 A 31 31 THR CA C 31 66.078 66.634 -0.556 1
1 401 . 7 1 1 A 31 31 THR CB C 31 67.583 68.845 -1.262 1
1 403 . 7 1 1 A 31 31 THR N N 31 120.025 116.979 3.046 1
1 404 . 7 1 1 A 32 32 TYR H H 32 8.186 8.516 -0.330 1
1 405 . 7 1 1 A 32 32 TYR HA H 32 4.009 4.167 -0.158 1
1 410 . 7 1 1 A 32 32 TYR C C 32 180.166 177.580 2.586 1
1 411 . 7 1 1 A 32 32 TYR CA C 32 61.797 62.213 -0.416 1
1 412 . 7 1 1 A 32 32 TYR CB C 32 37.300 38.579 -1.279 1
1 415 . 7 1 1 A 32 32 TYR N N 32 123.636 122.367 1.269 1
1 416 . 7 1 1 A 33 33 ASN H H 33 8.838 8.122 0.716 1
1 417 . 7 1 1 A 33 33 ASN HA H 33 4.435 4.425 0.010 1
1 422 . 7 1 1 A 33 33 ASN C C 33 176.730 178.163 -1.433 1
1 423 . 7 1 1 A 33 33 ASN CA C 33 55.167 56.407 -1.240 1
1 424 . 7 1 1 A 33 33 ASN CB C 33 37.308 37.560 -0.252 1
1 425 . 7 1 1 A 33 33 ASN N N 33 122.000 118.288 3.712 1
1 427 . 7 1 1 A 34 34 ASP H H 34 7.510 8.097 -0.587 1
1 428 . 7 1 1 A 34 34 ASP HA H 34 4.587 4.416 0.171 1
1 431 . 7 1 1 A 34 34 ASP C C 34 177.045 176.826 0.219 1
1 432 . 7 1 1 A 34 34 ASP CA C 34 56.487 56.742 -0.255 1
1 433 . 7 1 1 A 34 34 ASP CB C 34 40.822 41.429 -0.607 1
1 434 . 7 1 1 A 34 34 ASP N N 34 119.832 117.451 2.381 1
1 435 . 7 1 1 A 35 35 GLY H H 35 7.412 7.507 -0.095 1
1 436 . 7 1 1 A 35 35 GLY HA2 H 35 3.997 3.954 0.043 1
1 437 . 7 1 1 A 35 35 GLY HA3 H 35 3.997 4.035 -0.038 1
1 438 . 7 1 1 A 35 35 GLY C C 35 171.246 171.632 -0.386 1
1 439 . 7 1 1 A 35 35 GLY CA C 35 46.441 45.842 0.599 1
1 440 . 7 1 1 A 35 35 GLY N N 35 106.611 102.931 3.680 1
1 441 . 7 1 1 A 36 36 HIS H H 36 8.441 8.857 -0.416 1
1 442 . 7 1 1 A 36 36 HIS HA H 36 4.782 5.579 -0.797 1
1 447 . 7 1 1 A 36 36 HIS C C 36 172.800 173.943 -1.143 1
1 448 . 7 1 1 A 36 36 HIS CA C 36 53.425 53.609 -0.184 1
1 449 . 7 1 1 A 36 36 HIS CB C 36 31.978 32.588 -0.610 1
1 452 . 7 1 1 A 36 36 HIS N N 36 117.929 120.241 -2.312 1
1 455 . 7 1 1 A 37 37 ILE H H 37 8.087 8.827 -0.740 1
1 456 . 7 1 1 A 37 37 ILE HA H 37 3.223 3.557 -0.334 1
1 466 . 7 1 1 A 37 37 ILE C C 37 175.423 176.319 -0.896 1
1 467 . 7 1 1 A 37 37 ILE CA C 37 64.607 61.948 2.659 1
1 468 . 7 1 1 A 37 37 ILE CB C 37 37.269 37.404 -0.135 1
1 472 . 7 1 1 A 37 37 ILE N N 37 120.831 121.319 -0.488 1
1 473 . 7 1 1 A 38 38 MET H H 38 7.625 8.278 -0.653 1
1 474 . 7 1 1 A 38 38 MET HA H 38 3.953 4.168 -0.215 1
1 482 . 7 1 1 A 38 38 MET C C 38 174.632 176.726 -2.094 1
1 483 . 7 1 1 A 38 38 MET CA C 38 57.865 56.706 1.159 1
1 484 . 7 1 1 A 38 38 MET CB C 38 32.882 32.227 0.655 1
1 487 . 7 1 1 A 38 38 MET N N 38 128.683 126.289 2.394 1
1 488 . 7 1 1 A 39 39 GLY H H 39 8.795 8.969 -0.174 1
1 489 . 7 1 1 A 39 39 GLY HA2 H 39 3.727 3.982 -0.255 1
1 490 . 7 1 1 A 39 39 GLY HA3 H 39 4.345 4.014 0.331 1
1 491 . 7 1 1 A 39 39 GLY C C 39 175.442 174.762 0.680 1
1 492 . 7 1 1 A 39 39 GLY CA C 39 44.964 45.137 -0.173 1
1 493 . 7 1 1 A 39 39 GLY N N 39 113.814 114.186 -0.372 1
1 494 . 7 1 1 A 40 40 ALA H H 40 8.566 8.099 0.467 1
1 495 . 7 1 1 A 40 40 ALA HA H 40 4.656 4.724 -0.068 1
1 499 . 7 1 1 A 40 40 ALA C C 40 177.459 177.385 0.074 1
1 500 . 7 1 1 A 40 40 ALA CA C 40 52.139 52.368 -0.229 1
1 501 . 7 1 1 A 40 40 ALA CB C 40 20.657 20.196 0.461 1
1 502 . 7 1 1 A 40 40 ALA N N 40 122.444 123.965 -1.521 1
1 503 . 7 1 1 A 41 41 MET H H 41 9.268 9.077 0.191 1
1 504 . 7 1 1 A 41 41 MET HA H 41 4.478 4.877 -0.399 1
1 512 . 7 1 1 A 41 41 MET C C 41 174.328 175.563 -1.235 1
1 513 . 7 1 1 A 41 41 MET CA C 41 54.330 53.982 0.348 1
1 514 . 7 1 1 A 41 41 MET CB C 41 34.473 33.115 1.358 1
1 517 . 7 1 1 A 41 41 MET N N 41 123.908 120.468 3.440 1
1 518 . 7 1 1 A 42 42 ALA H H 42 8.162 8.186 -0.024 1
1 519 . 7 1 1 A 42 42 ALA HA H 42 3.870 3.885 -0.015 1
1 523 . 7 1 1 A 42 42 ALA C C 42 177.157 176.368 0.789 1
1 524 . 7 1 1 A 42 42 ALA CA C 42 51.888 51.259 0.629 1
1 525 . 7 1 1 A 42 42 ALA CB C 42 16.282 18.304 -2.022 1
1 526 . 7 1 1 A 42 42 ALA N N 42 126.936 125.621 1.315 1
1 527 . 7 1 1 A 43 43 MET H H 43 8.109 8.026 0.083 1
1 528 . 7 1 1 A 43 43 MET HA H 43 4.386 4.992 -0.606 1
1 536 . 7 1 1 A 43 43 MET C C 43 168.952 173.524 -4.572 1
1 537 . 7 1 1 A 43 43 MET CA C 43 53.535 52.491 1.044 1
1 538 . 7 1 1 A 43 43 MET CB C 43 34.346 33.114 1.232 1
1 541 . 7 1 1 A 43 43 MET N N 43 125.282 123.185 2.097 1
1 542 . 7 1 1 A 44 44 PRO HA H 44 3.949 4.499 -0.550 1
1 549 . 7 1 1 A 44 44 PRO C C 44 179.070 178.070 1.000 1
1 550 . 7 1 1 A 44 44 PRO CA C 44 62.524 63.188 -0.664 1
1 551 . 7 1 1 A 44 44 PRO CB C 44 32.611 32.259 0.352 1
1 554 . 7 1 1 A 45 45 ILE H H 45 7.764 8.607 -0.843 1
1 555 . 7 1 1 A 45 45 ILE HA H 45 3.851 3.901 -0.050 1
1 565 . 7 1 1 A 45 45 ILE C C 45 175.827 177.419 -1.592 1
1 566 . 7 1 1 A 45 45 ILE CA C 45 64.676 63.556 1.120 1
1 567 . 7 1 1 A 45 45 ILE CB C 45 38.991 37.981 1.010 1
1 571 . 7 1 1 A 45 45 ILE N N 45 121.655 125.590 -3.935 1
1 572 . 7 1 1 A 46 46 GLU H H 46 9.102 8.990 0.112 1
1 573 . 7 1 1 A 46 46 GLU HA H 46 4.056 4.041 0.015 1
1 578 . 7 1 1 A 46 46 GLU C C 46 176.499 177.534 -1.035 1
1 579 . 7 1 1 A 46 46 GLU CA C 46 59.349 59.352 -0.003 1
1 580 . 7 1 1 A 46 46 GLU CB C 46 28.456 29.107 -0.651 1
1 582 . 7 1 1 A 46 46 GLU N N 46 121.004 119.507 1.497 1
1 583 . 7 1 1 A 47 47 ASP H H 47 7.729 8.098 -0.369 1
1 584 . 7 1 1 A 47 47 ASP HA H 47 5.059 4.635 0.424 1
1 587 . 7 1 1 A 47 47 ASP C C 47 175.683 177.330 -1.647 1
1 588 . 7 1 1 A 47 47 ASP CA C 47 53.266 55.070 -1.804 1
1 589 . 7 1 1 A 47 47 ASP CB C 47 42.048 41.441 0.607 1
1 590 . 7 1 1 A 47 47 ASP N N 47 117.171 119.711 -2.540 1
1 591 . 7 1 1 A 48 48 LEU H H 48 7.193 7.736 -0.543 1
1 592 . 7 1 1 A 48 48 LEU HA H 48 3.690 3.880 -0.190 1
1 602 . 7 1 1 A 48 48 LEU C C 48 176.829 178.417 -1.588 1
1 603 . 7 1 1 A 48 48 LEU CA C 48 58.905 58.914 -0.009 1
1 604 . 7 1 1 A 48 48 LEU CB C 48 43.334 41.938 1.396 1
1 608 . 7 1 1 A 48 48 LEU N N 48 121.314 121.414 -0.100 1
1 609 . 7 1 1 A 49 49 VAL H H 49 8.507 7.926 0.581 1
1 610 . 7 1 1 A 49 49 VAL HA H 49 3.290 3.522 -0.232 1
1 618 . 7 1 1 A 49 49 VAL C C 49 178.915 177.470 1.445 1
1 619 . 7 1 1 A 49 49 VAL CA C 49 67.886 67.059 0.827 1
1 620 . 7 1 1 A 49 49 VAL CB C 49 30.881 31.591 -0.710 1
1 623 . 7 1 1 A 49 49 VAL N N 49 116.698 119.215 -2.517 1
1 624 . 7 1 1 A 50 50 ASP H H 50 8.474 8.290 0.184 1
1 625 . 7 1 1 A 50 50 ASP HA H 50 4.396 4.347 0.049 1
1 628 . 7 1 1 A 50 50 ASP C C 50 178.890 179.012 -0.122 1
1 629 . 7 1 1 A 50 50 ASP CA C 50 57.477 57.515 -0.038 1
1 630 . 7 1 1 A 50 50 ASP CB C 50 40.945 40.156 0.789 1
1 631 . 7 1 1 A 50 50 ASP N N 50 121.526 119.641 1.885 1
1 632 . 7 1 1 A 51 51 ARG H H 51 8.334 8.251 0.083 1
1 633 . 7 1 1 A 51 51 ARG HA H 51 4.079 3.983 0.096 1
1 641 . 7 1 1 A 51 51 ARG C C 51 179.634 178.746 0.888 1
1 642 . 7 1 1 A 51 51 ARG CA C 51 58.378 59.681 -1.303 1
1 643 . 7 1 1 A 51 51 ARG CB C 51 29.692 30.256 -0.564 1
1 646 . 7 1 1 A 51 51 ARG N N 51 118.666 119.314 -0.648 1
1 648 . 7 1 1 A 52 52 ALA H H 52 9.250 8.177 1.073 1
1 649 . 7 1 1 A 52 52 ALA HA H 52 3.752 4.145 -0.393 1
1 653 . 7 1 1 A 52 52 ALA C C 52 179.710 179.681 0.029 1
1 654 . 7 1 1 A 52 52 ALA CA C 52 55.830 55.184 0.646 1
1 655 . 7 1 1 A 52 52 ALA CB C 52 18.164 18.058 0.106 1
1 656 . 7 1 1 A 52 52 ALA N N 52 124.004 121.661 2.343 1
1 657 . 7 1 1 A 53 53 SER H H 53 8.392 8.412 -0.020 1
1 658 . 7 1 1 A 53 53 SER HA H 53 4.457 4.217 0.240 1
1 661 . 7 1 1 A 53 53 SER C C 53 175.807 176.033 -0.226 1
1 662 . 7 1 1 A 53 53 SER CA C 53 62.214 61.410 0.804 1
1 663 . 7 1 1 A 53 53 SER CB C 53 62.805 63.167 -0.362 1
1 664 . 7 1 1 A 53 53 SER N N 53 111.154 113.586 -2.432 1
1 665 . 7 1 1 A 54 54 SER H H 54 7.570 8.083 -0.513 1
1 666 . 7 1 1 A 54 54 SER HA H 54 4.512 4.467 0.045 1
1 669 . 7 1 1 A 54 54 SER C C 54 175.210 175.132 0.078 1
1 670 . 7 1 1 A 54 54 SER CA C 54 59.567 58.812 0.755 1
1 671 . 7 1 1 A 54 54 SER CB C 54 63.902 63.594 0.308 1
1 672 . 7 1 1 A 54 54 SER N N 54 112.745 115.590 -2.845 1
1 673 . 7 1 1 A 55 55 SER H H 55 7.501 7.915 -0.414 1
1 674 . 7 1 1 A 55 55 SER HA H 55 4.744 4.696 0.048 1
1 677 . 7 1 1 A 55 55 SER C C 55 173.106 173.756 -0.650 1
1 678 . 7 1 1 A 55 55 SER CA C 55 59.905 58.976 0.929 1
1 679 . 7 1 1 A 55 55 SER CB C 55 65.881 65.957 -0.076 1
1 680 . 7 1 1 A 55 55 SER N N 55 113.238 114.779 -1.541 1
1 681 . 7 1 1 A 56 56 LEU H H 56 8.320 8.051 0.269 1
1 682 . 7 1 1 A 56 56 LEU HA H 56 4.823 4.935 -0.112 1
1 692 . 7 1 1 A 56 56 LEU C C 56 175.441 176.248 -0.807 1
1 693 . 7 1 1 A 56 56 LEU CA C 56 53.476 53.748 -0.272 1
1 694 . 7 1 1 A 56 56 LEU CB C 56 44.655 46.106 -1.451 1
1 698 . 7 1 1 A 56 56 LEU N N 56 122.043 120.495 1.548 1
1 699 . 7 1 1 A 57 57 GLU H H 57 8.510 9.021 -0.511 1
1 700 . 7 1 1 A 57 57 GLU HA H 57 4.334 4.469 -0.135 1
1 705 . 7 1 1 A 57 57 GLU C C 57 177.869 177.668 0.201 1
1 706 . 7 1 1 A 57 57 GLU CA C 57 55.911 55.329 0.582 1
1 707 . 7 1 1 A 57 57 GLU CB C 57 30.193 31.072 -0.879 1
1 709 . 7 1 1 A 57 57 GLU N N 57 121.479 121.253 0.226 1
1 710 . 7 1 1 A 58 58 LYS H H 58 8.513 8.475 0.038 1
1 711 . 7 1 1 A 58 58 LYS HA H 58 3.811 3.859 -0.048 1
1 720 . 7 1 1 A 58 58 LYS C C 58 178.345 177.855 0.490 1
1 721 . 7 1 1 A 58 58 LYS CA C 58 58.526 58.325 0.201 1
1 722 . 7 1 1 A 58 58 LYS CB C 58 31.265 32.333 -1.068 1
1 726 . 7 1 1 A 58 58 LYS N N 58 120.689 123.082 -2.393 1
1 727 . 7 1 1 A 59 59 SER H H 59 7.912 7.560 0.352 1
1 728 . 7 1 1 A 59 59 SER HA H 59 4.437 4.115 0.322 1
1 731 . 7 1 1 A 59 59 SER C C 59 174.216 174.353 -0.137 1
1 732 . 7 1 1 A 59 59 SER CA C 59 57.862 58.663 -0.801 1
1 733 . 7 1 1 A 59 59 SER CB C 59 63.682 63.600 0.082 1
1 734 . 7 1 1 A 59 59 SER N N 59 111.530 112.795 -1.265 1
1 735 . 7 1 1 A 60 60 ARG H H 60 7.477 7.710 -0.233 1
1 736 . 7 1 1 A 60 60 ARG HA H 60 4.199 4.210 -0.011 1
1 744 . 7 1 1 A 60 60 ARG C C 60 174.880 175.962 -1.082 1
1 745 . 7 1 1 A 60 60 ARG CA C 60 55.828 56.397 -0.569 1
1 746 . 7 1 1 A 60 60 ARG CB C 60 31.971 30.483 1.488 1
1 749 . 7 1 1 A 60 60 ARG N N 60 125.535 123.111 2.424 1
1 751 . 7 1 1 A 61 61 ASP H H 61 8.540 8.608 -0.068 1
1 752 . 7 1 1 A 61 61 ASP HA H 61 4.903 4.960 -0.057 1
1 755 . 7 1 1 A 61 61 ASP C C 61 175.569 175.712 -0.143 1
1 756 . 7 1 1 A 61 61 ASP CA C 61 55.438 54.519 0.919 1
1 757 . 7 1 1 A 61 61 ASP CB C 61 40.847 40.690 0.157 1
1 758 . 7 1 1 A 61 61 ASP N N 61 126.761 125.514 1.247 1
1 759 . 7 1 1 A 62 62 ILE H H 62 8.630 9.308 -0.678 1
1 760 . 7 1 1 A 62 62 ILE HA H 62 5.038 5.185 -0.147 1
1 770 . 7 1 1 A 62 62 ILE C C 62 174.444 174.346 0.098 1
1 771 . 7 1 1 A 62 62 ILE CA C 62 59.799 60.473 -0.674 1
1 772 . 7 1 1 A 62 62 ILE CB C 62 42.130 40.042 2.088 1
1 776 . 7 1 1 A 62 62 ILE N N 62 125.212 124.987 0.225 1
1 777 . 7 1 1 A 63 63 TYR H H 63 9.026 9.411 -0.385 1
1 778 . 7 1 1 A 63 63 TYR HA H 63 5.230 5.331 -0.101 1
1 785 . 7 1 1 A 63 63 TYR C C 63 175.088 174.667 0.421 1
1 786 . 7 1 1 A 63 63 TYR CA C 63 56.143 57.133 -0.990 1
1 787 . 7 1 1 A 63 63 TYR CB C 63 41.302 39.823 1.479 1
1 792 . 7 1 1 A 63 63 TYR N N 63 125.467 127.235 -1.768 1
1 793 . 7 1 1 A 64 64 VAL H H 64 8.523 9.196 -0.673 1
1 794 . 7 1 1 A 64 64 VAL HA H 64 5.106 4.828 0.278 1
1 802 . 7 1 1 A 64 64 VAL C C 64 174.072 175.074 -1.002 1
1 803 . 7 1 1 A 64 64 VAL CA C 64 60.302 61.705 -1.403 1
1 804 . 7 1 1 A 64 64 VAL CB C 64 35.121 33.141 1.980 1
1 807 . 7 1 1 A 64 64 VAL N N 64 121.014 123.755 -2.741 1
1 808 . 7 1 1 A 65 65 TYR H H 65 8.832 8.847 -0.015 1
1 809 . 7 1 1 A 65 65 TYR HA H 65 5.289 5.695 -0.406 1
1 816 . 7 1 1 A 65 65 TYR C C 65 172.116 173.475 -1.359 1
1 817 . 7 1 1 A 65 65 TYR CA C 65 56.777 55.190 1.587 1
1 818 . 7 1 1 A 65 65 TYR CB C 65 42.528 41.943 0.585 1
1 819 . 7 1 1 A 65 65 TYR N N 65 120.331 123.025 -2.694 1
1 820 . 7 1 1 A 66 66 GLY H H 66 8.278 9.269 -0.991 1
1 821 . 7 1 1 A 66 66 GLY HA2 H 66 3.449 4.145 -0.696 1
1 822 . 7 1 1 A 66 66 GLY HA3 H 66 4.408 4.243 0.165 1
1 823 . 7 1 1 A 66 66 GLY C C 66 173.636 174.707 -1.071 1
1 824 . 7 1 1 A 66 66 GLY CA C 66 43.793 43.687 0.106 1
1 825 . 7 1 1 A 66 66 GLY N N 66 108.458 108.929 -0.471 1
1 826 . 7 1 1 A 67 67 ALA H H 67 9.485 8.819 0.666 1
1 827 . 7 1 1 A 67 67 ALA HA H 67 4.331 4.193 0.138 1
1 831 . 7 1 1 A 67 67 ALA C C 67 176.363 177.899 -1.536 1
1 832 . 7 1 1 A 67 67 ALA CA C 67 52.848 54.793 -1.945 1
1 833 . 7 1 1 A 67 67 ALA CB C 67 18.178 19.613 -1.435 1
1 834 . 7 1 1 A 67 67 ALA N N 67 126.325 121.751 4.574 1
1 835 . 7 1 1 A 68 68 GLY H H 68 7.553 7.442 0.111 1
1 836 . 7 1 1 A 68 68 GLY HA2 H 68 4.270 4.113 0.157 1
1 837 . 7 1 1 A 68 68 GLY HA3 H 68 4.209 4.123 0.086 1
1 838 . 7 1 1 A 68 68 GLY C C 68 173.695 174.739 -1.044 1
1 839 . 7 1 1 A 68 68 GLY CA C 68 44.112 43.631 0.481 1
1 840 . 7 1 1 A 68 68 GLY N N 68 106.057 106.521 -0.464 1
1 841 . 7 1 1 A 69 69 ASP H H 69 8.904 8.936 -0.032 1
1 842 . 7 1 1 A 69 69 ASP HA H 69 4.408 4.279 0.129 1
1 845 . 7 1 1 A 69 69 ASP C C 69 178.531 177.823 0.708 1
1 846 . 7 1 1 A 69 69 ASP CA C 69 57.592 57.434 0.158 1
1 847 . 7 1 1 A 69 69 ASP CB C 69 40.198 40.736 -0.538 1
1 848 . 7 1 1 A 69 69 ASP N N 69 121.078 121.008 0.070 1
1 849 . 7 1 1 A 70 70 GLU H H 70 8.905 8.374 0.531 1
1 850 . 7 1 1 A 70 70 GLU HA H 70 4.110 4.006 0.104 1
1 855 . 7 1 1 A 70 70 GLU C C 70 178.745 178.884 -0.139 1
1 856 . 7 1 1 A 70 70 GLU CA C 70 59.956 59.728 0.228 1
1 857 . 7 1 1 A 70 70 GLU CB C 70 28.534 29.168 -0.634 1
1 859 . 7 1 1 A 70 70 GLU N N 70 120.998 119.001 1.997 1
1 860 . 7 1 1 A 71 71 GLN H H 71 8.453 7.773 0.680 1
1 861 . 7 1 1 A 71 71 GLN HA H 71 4.106 4.050 0.056 1
1 868 . 7 1 1 A 71 71 GLN C C 71 178.164 178.717 -0.553 1
1 869 . 7 1 1 A 71 71 GLN CA C 71 59.350 58.598 0.752 1
1 870 . 7 1 1 A 71 71 GLN CB C 71 29.682 28.198 1.484 1
1 872 . 7 1 1 A 71 71 GLN N N 71 121.273 118.798 2.475 1
1 874 . 7 1 1 A 72 72 THR H H 72 8.267 8.096 0.171 1
1 875 . 7 1 1 A 72 72 THR HA H 72 3.524 3.879 -0.355 1
1 880 . 7 1 1 A 72 72 THR C C 72 175.546 177.049 -1.503 1
1 881 . 7 1 1 A 72 72 THR CA C 72 67.395 66.529 0.866 1
1 882 . 7 1 1 A 72 72 THR CB C 72 68.145 68.860 -0.715 1
1 884 . 7 1 1 A 72 72 THR N N 72 115.641 117.235 -1.594 1
1 885 . 7 1 1 A 73 73 SER H H 73 8.265 8.133 0.132 1
1 886 . 7 1 1 A 73 73 SER HA H 73 4.029 4.083 -0.054 1
1 889 . 7 1 1 A 73 73 SER C C 73 176.825 175.956 0.869 1
1 890 . 7 1 1 A 73 73 SER CA C 73 61.746 61.722 0.024 1
1 891 . 7 1 1 A 73 73 SER CB C 73 62.746 62.904 -0.158 1
1 892 . 7 1 1 A 73 73 SER N N 73 115.814 116.634 -0.820 1
1 893 . 7 1 1 A 74 74 GLN H H 74 8.119 8.101 0.018 1
1 894 . 7 1 1 A 74 74 GLN HA H 74 4.090 4.040 0.050 1
1 901 . 7 1 1 A 74 74 GLN C C 74 178.630 177.952 0.678 1
1 902 . 7 1 1 A 74 74 GLN CA C 74 58.903 58.405 0.498 1
1 903 . 7 1 1 A 74 74 GLN CB C 74 27.943 28.864 -0.921 1
1 905 . 7 1 1 A 74 74 GLN N N 74 121.446 120.934 0.512 1
1 907 . 7 1 1 A 75 75 ALA H H 75 8.210 7.943 0.267 1
1 908 . 7 1 1 A 75 75 ALA HA H 75 3.879 4.007 -0.128 1
1 912 . 7 1 1 A 75 75 ALA C C 75 178.843 180.020 -1.177 1
1 913 . 7 1 1 A 75 75 ALA CA C 75 54.959 55.244 -0.285 1
1 914 . 7 1 1 A 75 75 ALA CB C 75 20.226 18.177 2.049 1
1 915 . 7 1 1 A 75 75 ALA N N 75 121.007 122.047 -1.040 1
1 916 . 7 1 1 A 76 76 VAL H H 76 8.257 7.868 0.389 1
1 917 . 7 1 1 A 76 76 VAL HA H 76 3.472 3.451 0.021 1
1 925 . 7 1 1 A 76 76 VAL C C 76 177.639 177.938 -0.299 1
1 926 . 7 1 1 A 76 76 VAL CA C 76 67.080 66.828 0.252 1
1 927 . 7 1 1 A 76 76 VAL CB C 76 30.945 31.407 -0.462 1
1 930 . 7 1 1 A 76 76 VAL N N 76 116.281 118.581 -2.300 1
1 931 . 7 1 1 A 77 77 ASN H H 77 8.190 8.181 0.009 1
1 932 . 7 1 1 A 77 77 ASN HA H 77 4.430 4.379 0.051 1
1 937 . 7 1 1 A 77 77 ASN C C 77 178.638 177.787 0.851 1
1 938 . 7 1 1 A 77 77 ASN CA C 77 56.666 56.712 -0.046 1
1 939 . 7 1 1 A 77 77 ASN CB C 77 37.950 39.273 -1.323 1
1 940 . 7 1 1 A 77 77 ASN N N 77 118.786 118.841 -0.055 1
1 942 . 7 1 1 A 78 78 LEU H H 78 8.222 7.872 0.350 1
1 943 . 7 1 1 A 78 78 LEU HA H 78 4.045 4.032 0.013 1
1 953 . 7 1 1 A 78 78 LEU C C 78 180.246 179.681 0.565 1
1 954 . 7 1 1 A 78 78 LEU CA C 78 57.926 58.163 -0.237 1
1 955 . 7 1 1 A 78 78 LEU CB C 78 41.892 41.592 0.300 1
1 959 . 7 1 1 A 78 78 LEU N N 78 121.759 119.803 1.956 1
1 960 . 7 1 1 A 79 79 LEU H H 79 7.887 8.081 -0.194 1
1 961 . 7 1 1 A 79 79 LEU HA H 79 4.051 3.924 0.127 1
1 971 . 7 1 1 A 79 79 LEU C C 79 179.804 179.391 0.413 1
1 972 . 7 1 1 A 79 79 LEU CA C 79 57.788 58.114 -0.326 1
1 973 . 7 1 1 A 79 79 LEU CB C 79 41.616 41.212 0.404 1
1 977 . 7 1 1 A 79 79 LEU N N 79 118.127 118.994 -0.867 1
1 978 . 7 1 1 A 80 80 ARG H H 80 8.942 8.374 0.568 1
1 979 . 7 1 1 A 80 80 ARG HA H 80 4.516 4.422 0.094 1
1 987 . 7 1 1 A 80 80 ARG C C 80 181.546 178.559 2.987 1
1 988 . 7 1 1 A 80 80 ARG CA C 80 60.006 58.663 1.343 1
1 989 . 7 1 1 A 80 80 ARG CB C 80 29.510 30.097 -0.587 1
1 992 . 7 1 1 A 80 80 ARG N N 80 120.974 118.718 2.256 1
1 994 . 7 1 1 A 81 81 SER H H 81 8.394 8.194 0.200 1
1 995 . 7 1 1 A 81 81 SER HA H 81 4.307 4.123 0.184 1
1 998 . 7 1 1 A 81 81 SER C C 81 174.601 176.487 -1.886 1
1 999 . 7 1 1 A 81 81 SER CA C 81 61.570 61.451 0.119 1
1 1000 . 7 1 1 A 81 81 SER CB C 81 62.832 63.243 -0.411 1
1 1001 . 7 1 1 A 81 81 SER N N 81 116.329 115.152 1.177 1
1 1002 . 7 1 1 A 82 82 ALA H H 82 7.507 7.398 0.109 1
1 1003 . 7 1 1 A 82 82 ALA HA H 82 4.546 4.394 0.152 1
1 1007 . 7 1 1 A 82 82 ALA C C 82 176.449 177.932 -1.483 1
1 1008 . 7 1 1 A 82 82 ALA CA C 82 51.759 52.120 -0.361 1
1 1009 . 7 1 1 A 82 82 ALA CB C 82 18.850 19.257 -0.407 1
1 1010 . 7 1 1 A 82 82 ALA N N 82 122.576 119.543 3.033 1
1 1011 . 7 1 1 A 83 83 GLY H H 83 7.678 8.045 -0.367 1
1 1012 . 7 1 1 A 83 83 GLY HA2 H 83 3.623 3.882 -0.259 1
1 1013 . 7 1 1 A 83 83 GLY HA3 H 83 4.217 3.961 0.256 1
1 1014 . 7 1 1 A 83 83 GLY C C 83 174.557 174.539 0.018 1
1 1015 . 7 1 1 A 83 83 GLY CA C 83 44.741 45.065 -0.324 1
1 1016 . 7 1 1 A 83 83 GLY N N 83 104.117 106.849 -2.732 1
1 1017 . 7 1 1 A 84 84 PHE H H 84 7.923 7.593 0.330 1
1 1018 . 7 1 1 A 84 84 PHE HA H 84 4.254 4.383 -0.129 1
1 1026 . 7 1 1 A 84 84 PHE C C 84 176.479 176.012 0.467 1
1 1027 . 7 1 1 A 84 84 PHE CA C 84 60.127 59.235 0.892 1
1 1028 . 7 1 1 A 84 84 PHE CB C 84 36.999 38.751 -1.752 1
1 1034 . 7 1 1 A 84 84 PHE N N 84 119.861 119.518 0.343 1
1 1035 . 7 1 1 A 85 85 GLU H H 85 7.730 9.076 -1.346 1
1 1036 . 7 1 1 A 85 85 GLU HA H 85 3.965 4.277 -0.312 1
1 1041 . 7 1 1 A 85 85 GLU C C 85 176.966 177.446 -0.480 1
1 1042 . 7 1 1 A 85 85 GLU CA C 85 57.841 59.350 -1.509 1
1 1043 . 7 1 1 A 85 85 GLU CB C 85 32.054 29.963 2.091 1
1 1045 . 7 1 1 A 85 85 GLU N N 85 122.200 124.991 -2.791 1
1 1046 . 7 1 1 A 86 86 HIS H H 86 9.957 7.905 2.052 1
1 1047 . 7 1 1 A 86 86 HIS HA H 86 4.988 4.677 0.311 1
1 1052 . 7 1 1 A 86 86 HIS C C 86 171.400 174.191 -2.791 1
1 1053 . 7 1 1 A 86 86 HIS CA C 86 53.063 54.849 -1.786 1
1 1054 . 7 1 1 A 86 86 HIS CB C 86 29.823 27.653 2.170 1
1 1057 . 7 1 1 A 86 86 HIS N N 86 122.245 117.279 4.966 1
1 1060 . 7 1 1 A 87 87 VAL H H 87 8.233 8.319 -0.086 1
1 1061 . 7 1 1 A 87 87 VAL HA H 87 4.934 4.897 0.037 1
1 1069 . 7 1 1 A 87 87 VAL C C 87 175.510 175.128 0.382 1
1 1070 . 7 1 1 A 87 87 VAL CA C 87 59.972 60.788 -0.816 1
1 1071 . 7 1 1 A 87 87 VAL CB C 87 33.883 34.448 -0.565 1
1 1074 . 7 1 1 A 87 87 VAL N N 87 120.946 124.817 -3.871 1
1 1075 . 7 1 1 A 88 88 SER H H 88 8.968 9.145 -0.177 1
1 1076 . 7 1 1 A 88 88 SER HA H 88 4.869 5.703 -0.834 1
1 1079 . 7 1 1 A 88 88 SER C C 88 174.093 172.989 1.104 1
1 1080 . 7 1 1 A 88 88 SER CA C 88 55.935 56.149 -0.214 1
1 1081 . 7 1 1 A 88 88 SER CB C 88 66.077 65.859 0.218 1
1 1082 . 7 1 1 A 88 88 SER N N 88 121.913 121.167 0.746 1
1 1083 . 7 1 1 A 89 89 GLU H H 89 8.628 8.752 -0.124 1
1 1084 . 7 1 1 A 89 89 GLU HA H 89 4.233 4.682 -0.449 1
1 1089 . 7 1 1 A 89 89 GLU C C 89 175.212 175.473 -0.261 1
1 1090 . 7 1 1 A 89 89 GLU CA C 89 55.728 55.861 -0.133 1
1 1091 . 7 1 1 A 89 89 GLU CB C 89 31.640 30.457 1.183 1
1 1093 . 7 1 1 A 89 89 GLU N N 89 125.288 121.607 3.681 1
1 1094 . 7 1 1 A 90 90 LEU H H 90 8.727 8.940 -0.213 1
1 1095 . 7 1 1 A 90 90 LEU HA H 90 4.829 5.018 -0.189 1
1 1105 . 7 1 1 A 90 90 LEU C C 90 175.893 175.899 -0.006 1
1 1106 . 7 1 1 A 90 90 LEU CA C 90 53.771 54.716 -0.945 1
1 1107 . 7 1 1 A 90 90 LEU CB C 90 41.511 42.953 -1.442 1
1 1111 . 7 1 1 A 90 90 LEU N N 90 125.766 126.668 -0.902 1
1 1112 . 7 1 1 A 91 91 LYS H H 91 8.715 8.808 -0.093 1
1 1113 . 7 1 1 A 91 91 LYS HA H 91 4.164 3.888 0.276 1
1 1122 . 7 1 1 A 91 91 LYS C C 91 177.680 177.459 0.221 1
1 1123 . 7 1 1 A 91 91 LYS CA C 91 57.796 58.798 -1.002 1
1 1124 . 7 1 1 A 91 91 LYS CB C 91 31.705 32.275 -0.570 1
1 1128 . 7 1 1 A 91 91 LYS N N 91 131.405 127.566 3.839 1
1 1129 . 7 1 1 A 92 92 GLY H H 92 9.408 8.356 1.052 1
1 1130 . 7 1 1 A 92 92 GLY HA2 H 92 3.828 3.970 -0.142 1
1 1131 . 7 1 1 A 92 92 GLY HA3 H 92 4.268 3.973 0.295 1
1 1132 . 7 1 1 A 92 92 GLY C C 92 175.634 174.427 1.207 1
1 1133 . 7 1 1 A 92 92 GLY CA C 92 46.001 45.045 0.956 1
1 1134 . 7 1 1 A 92 92 GLY N N 92 115.262 112.074 3.188 1
1 1135 . 7 1 1 A 93 93 GLY H H 93 7.616 8.647 -1.031 1
1 1136 . 7 1 1 A 93 93 GLY HA2 H 93 3.429 4.126 -0.697 1
1 1137 . 7 1 1 A 93 93 GLY HA3 H 93 4.276 4.178 0.098 1
1 1138 . 7 1 1 A 93 93 GLY C C 93 172.357 174.932 -2.575 1
1 1139 . 7 1 1 A 93 93 GLY CA C 93 46.436 45.818 0.618 1
1 1140 . 7 1 1 A 93 93 GLY N N 93 106.201 108.664 -2.463 1
1 1141 . 7 1 1 A 94 94 LEU H H 94 8.854 8.784 0.070 1
1 1142 . 7 1 1 A 94 94 LEU HA H 94 3.643 4.240 -0.597 1
1 1152 . 7 1 1 A 94 94 LEU C C 94 178.092 178.779 -0.687 1
1 1153 . 7 1 1 A 94 94 LEU CA C 94 56.966 57.648 -0.682 1
1 1154 . 7 1 1 A 94 94 LEU CB C 94 41.937 41.802 0.135 1
1 1158 . 7 1 1 A 94 94 LEU N N 94 124.279 125.529 -1.250 1
1 1159 . 7 1 1 A 95 95 ALA H H 95 8.683 8.282 0.401 1
1 1160 . 7 1 1 A 95 95 ALA HA H 95 4.061 4.032 0.029 1
1 1164 . 7 1 1 A 95 95 ALA C C 95 180.877 179.772 1.105 1
1 1165 . 7 1 1 A 95 95 ALA CA C 95 55.406 55.527 -0.121 1
1 1166 . 7 1 1 A 95 95 ALA CB C 95 18.053 17.827 0.226 1
1 1167 . 7 1 1 A 95 95 ALA N N 95 120.253 120.729 -0.476 1
1 1168 . 7 1 1 A 96 96 ALA H H 96 7.249 7.970 -0.721 1
1 1169 . 7 1 1 A 96 96 ALA HA H 96 4.132 4.074 0.058 1
1 1173 . 7 1 1 A 96 96 ALA C C 96 179.350 179.596 -0.246 1
1 1174 . 7 1 1 A 96 96 ALA CA C 96 54.429 54.931 -0.502 1
1 1175 . 7 1 1 A 96 96 ALA CB C 96 18.580 18.226 0.354 1
1 1176 . 7 1 1 A 96 96 ALA N N 96 121.080 120.005 1.075 1
1 1177 . 7 1 1 A 97 97 TRP H H 97 7.636 7.939 -0.303 1
1 1178 . 7 1 1 A 97 97 TRP HA H 97 4.051 4.184 -0.133 1
1 1187 . 7 1 1 A 97 97 TRP C C 97 178.223 178.239 -0.016 1
1 1188 . 7 1 1 A 97 97 TRP CA C 97 59.343 61.598 -2.255 1
1 1189 . 7 1 1 A 97 97 TRP CB C 97 29.734 29.761 -0.027 1
1 1195 . 7 1 1 A 97 97 TRP N N 97 119.015 121.089 -2.074 1
1 1197 . 7 1 1 A 98 98 LYS H H 98 8.764 8.436 0.328 1
1 1198 . 7 1 1 A 98 98 LYS HA H 98 3.886 4.121 -0.235 1
1 1207 . 7 1 1 A 98 98 LYS C C 98 180.503 179.244 1.259 1
1 1208 . 7 1 1 A 98 98 LYS CA C 98 59.365 59.343 0.022 1
1 1209 . 7 1 1 A 98 98 LYS CB C 98 31.899 32.482 -0.583 1
1 1213 . 7 1 1 A 98 98 LYS N N 98 117.855 118.946 -1.091 1
1 1214 . 7 1 1 A 99 99 ALA H H 99 7.802 8.514 -0.712 1
1 1215 . 7 1 1 A 99 99 ALA HA H 99 4.139 4.097 0.042 1
1 1219 . 7 1 1 A 99 99 ALA C C 99 179.188 179.482 -0.294 1
1 1220 . 7 1 1 A 99 99 ALA CA C 99 54.521 55.005 -0.484 1
1 1221 . 7 1 1 A 99 99 ALA CB C 99 18.016 18.196 -0.180 1
1 1222 . 7 1 1 A 99 99 ALA N N 99 121.263 122.231 -0.968 1
1 1223 . 7 1 1 A 100 100 ILE H H 100 6.803 7.670 -0.867 1
1 1224 . 7 1 1 A 100 100 ILE HA H 100 4.509 4.085 0.424 1
1 1234 . 7 1 1 A 100 100 ILE C C 100 175.810 176.497 -0.687 1
1 1235 . 7 1 1 A 100 100 ILE CA C 100 59.964 60.675 -0.711 1
1 1236 . 7 1 1 A 100 100 ILE CB C 100 37.866 37.095 0.771 1
1 1240 . 7 1 1 A 100 100 ILE N N 100 107.978 111.348 -3.370 1
1 1241 . 7 1 1 A 101 101 GLY H H 101 7.741 7.783 -0.042 1
1 1242 . 7 1 1 A 101 101 GLY HA2 H 101 3.618 3.899 -0.281 1
1 1243 . 7 1 1 A 101 101 GLY HA3 H 101 3.866 3.904 -0.038 1
1 1244 . 7 1 1 A 101 101 GLY C C 101 175.319 175.136 0.183 1
1 1245 . 7 1 1 A 101 101 GLY CA C 101 45.444 46.627 -1.183 1
1 1246 . 7 1 1 A 101 101 GLY N N 101 109.732 110.961 -1.229 1
1 1247 . 7 1 1 A 102 102 GLY H H 102 7.823 7.938 -0.115 1
1 1248 . 7 1 1 A 102 102 GLY HA2 H 102 2.942 3.052 -0.110 1
1 1249 . 7 1 1 A 102 102 GLY HA3 H 102 2.942 3.696 -0.754 1
1 1250 . 7 1 1 A 102 102 GLY C C 102 171.578 172.945 -1.367 1
1 1251 . 7 1 1 A 102 102 GLY CA C 102 41.964 44.039 -2.075 1
1 1252 . 7 1 1 A 102 102 GLY N N 102 108.608 107.721 0.887 1
1 1253 . 7 1 1 A 103 103 PRO HA H 103 4.643 4.671 -0.028 1
1 1260 . 7 1 1 A 103 103 PRO C C 103 178.778 176.589 2.189 1
1 1261 . 7 1 1 A 103 103 PRO CA C 103 62.843 63.140 -0.297 1
1 1262 . 7 1 1 A 103 103 PRO CB C 103 32.263 31.739 0.524 1
1 1265 . 7 1 1 A 104 104 THR H H 104 8.760 8.459 0.301 1
1 1266 . 7 1 1 A 104 104 THR HA H 104 5.017 5.070 -0.053 1
1 1271 . 7 1 1 A 104 104 THR C C 104 172.498 173.378 -0.880 1
1 1272 . 7 1 1 A 104 104 THR CA C 104 59.729 59.462 0.267 1
1 1273 . 7 1 1 A 104 104 THR CB C 104 72.479 71.843 0.636 1
1 1275 . 7 1 1 A 104 104 THR N N 104 116.086 112.987 3.099 1
1 1276 . 7 1 1 A 105 105 GLU H H 105 8.267 8.905 -0.638 1
1 1277 . 7 1 1 A 105 105 GLU HA H 105 4.499 4.911 -0.412 1
1 1282 . 7 1 1 A 105 105 GLU C C 105 173.848 175.043 -1.195 1
1 1283 . 7 1 1 A 105 105 GLU CA C 105 54.647 54.658 -0.011 1
1 1284 . 7 1 1 A 105 105 GLU CB C 105 34.227 32.238 1.989 1
1 1286 . 7 1 1 A 105 105 GLU N N 105 117.663 121.026 -3.363 1
1 1287 . 7 1 1 A 106 106 GLY H H 106 8.207 8.325 -0.118 1
1 1288 . 7 1 1 A 106 106 GLY HA2 H 106 3.873 4.119 -0.246 1
1 1289 . 7 1 1 A 106 106 GLY HA3 H 106 3.873 4.160 -0.287 1
1 1290 . 7 1 1 A 106 106 GLY C C 106 173.052 174.651 -1.599 1
1 1291 . 7 1 1 A 106 106 GLY CA C 106 44.313 44.366 -0.053 1
1 1292 . 7 1 1 A 106 106 GLY N N 106 108.896 108.269 0.627 1
1 1293 . 7 1 1 A 107 107 ILE H H 107 8.333 9.177 -0.844 1
1 1294 . 7 1 1 A 107 107 ILE HA H 107 4.110 3.865 0.245 1
1 1304 . 7 1 1 A 107 107 ILE C C 107 176.773 177.612 -0.839 1
1 1305 . 7 1 1 A 107 107 ILE CA C 107 62.404 64.085 -1.681 1
1 1306 . 7 1 1 A 107 107 ILE CB C 107 38.826 37.497 1.329 1
1 1310 . 7 1 1 A 107 107 ILE N N 107 119.410 119.929 -0.519 1
1 1311 . 7 1 1 A 108 108 ILE H H 108 8.369 8.019 0.350 1
1 1312 . 7 1 1 A 108 108 ILE HA H 108 4.167 3.992 0.175 1
1 1322 . 7 1 1 A 108 108 ILE C C 108 176.821 177.021 -0.200 1
1 1323 . 7 1 1 A 108 108 ILE CA C 108 61.060 63.995 -2.935 1
1 1324 . 7 1 1 A 108 108 ILE CB C 108 37.984 38.167 -0.183 1
1 1328 . 7 1 1 A 108 108 ILE N N 108 122.390 119.765 2.625 1
1 1329 . 7 1 1 A 109 109 GLU H H 109 8.127 7.777 0.350 1
1 1330 . 7 1 1 A 109 109 GLU HA H 109 4.218 4.517 -0.299 1
1 1335 . 7 1 1 A 109 109 GLU C C 109 176.438 176.359 0.079 1
1 1336 . 7 1 1 A 109 109 GLU CA C 109 56.548 55.720 0.828 1
1 1337 . 7 1 1 A 109 109 GLU CB C 109 30.178 27.866 2.312 1
1 1339 . 7 1 1 A 109 109 GLU N N 109 123.739 119.153 4.586 1
1 1340 . 7 1 1 A 110 110 SER H H 110 8.291 8.747 -0.456 1
1 1341 . 7 1 1 A 110 110 SER HA H 110 4.446 4.689 -0.243 1
1 1344 . 7 1 1 A 110 110 SER C C 110 174.330 174.337 -0.007 1
1 1345 . 7 1 1 A 110 110 SER CA C 110 58.252 58.820 -0.568 1
1 1346 . 7 1 1 A 110 110 SER CB C 110 63.598 66.041 -2.443 1
1 1347 . 7 1 1 A 110 110 SER N N 110 116.242 117.624 -1.382 1
1 1348 . 7 1 1 A 111 111 ARG H H 111 8.238 7.577 0.661 1
1 1349 . 7 1 1 A 111 111 ARG HA H 111 4.426 4.625 -0.199 1
1 1357 . 7 1 1 A 111 111 ARG C C 111 176.113 174.063 2.050 1
1 1358 . 7 1 1 A 111 111 ARG CA C 111 55.848 55.127 0.721 1
1 1359 . 7 1 1 A 111 111 ARG CB C 111 30.755 30.313 0.442 1
1 1362 . 7 1 1 A 111 111 ARG N N 111 122.827 117.467 5.360 1
1 1364 . 7 1 1 A 112 112 THR H H 112 8.229 8.588 -0.359 1
1 1365 . 7 1 1 A 112 112 THR HA H 112 4.573 5.109 -0.536 1
1 1370 . 7 1 1 A 112 112 THR C C 112 172.790 174.637 -1.847 1
1 1371 . 7 1 1 A 112 112 THR CA C 112 59.716 57.739 1.977 1
1 1372 . 7 1 1 A 112 112 THR CB C 112 69.503 70.817 -1.314 1
1 1374 . 7 1 1 A 112 112 THR N N 112 117.863 119.823 -1.960 1
1 1375 . 7 1 1 A 113 113 PRO HA H 113 4.388 4.590 -0.202 1
1 1382 . 7 1 1 A 113 113 PRO C C 113 176.605 175.895 0.710 1
1 1383 . 7 1 1 A 113 113 PRO CA C 113 63.131 63.831 -0.700 1
1 1384 . 7 1 1 A 113 113 PRO CB C 113 31.931 33.102 -1.171 1
1 1387 . 7 1 1 A 114 114 ALA H H 114 8.422 7.274 1.148 1
1 1388 . 7 1 1 A 114 114 ALA HA H 114 4.284 4.299 -0.015 1
1 1392 . 7 1 1 A 114 114 ALA C C 114 178.251 177.257 0.994 1
1 1393 . 7 1 1 A 114 114 ALA CA C 114 52.518 52.565 -0.047 1
1 1394 . 7 1 1 A 114 114 ALA CB C 114 19.131 20.385 -1.254 1
1 1395 . 7 1 1 A 114 114 ALA N N 114 124.466 124.347 0.119 1
1 1396 . 7 1 1 A 115 115 GLY H H 115 8.380 8.347 0.033 1
1 1397 . 7 1 1 A 115 115 GLY HA2 H 115 3.956 4.192 -0.236 1
1 1398 . 7 1 1 A 115 115 GLY HA3 H 115 3.934 4.195 -0.261 1
1 1399 . 7 1 1 A 115 115 GLY C C 115 174.020 173.490 0.530 1
1 1400 . 7 1 1 A 115 115 GLY CA C 115 45.095 45.188 -0.093 1
1 1401 . 7 1 1 A 115 115 GLY N N 115 108.587 105.871 2.716 1
1 1402 . 7 1 1 A 116 116 ALA H H 116 8.127 8.576 -0.449 1
1 1403 . 7 1 1 A 116 116 ALA HA H 116 4.292 4.039 0.253 1
1 1407 . 7 1 1 A 116 116 ALA C C 116 177.565 175.830 1.735 1
1 1408 . 7 1 1 A 116 116 ALA CA C 116 52.504 53.048 -0.544 1
1 1409 . 7 1 1 A 116 116 ALA CB C 116 19.187 18.061 1.126 1
1 1410 . 7 1 1 A 116 116 ALA N N 116 123.523 122.891 0.632 1
1 1411 . 7 1 1 A 117 117 ASP H H 117 8.316 8.372 -0.056 1
1 1412 . 7 1 1 A 117 117 ASP HA H 117 4.555 5.362 -0.807 1
1 1415 . 7 1 1 A 117 117 ASP C C 117 175.899 175.467 0.432 1
1 1416 . 7 1 1 A 117 117 ASP CA C 117 54.254 52.589 1.665 1
1 1417 . 7 1 1 A 117 117 ASP CB C 117 40.962 44.183 -3.221 1
1 1418 . 7 1 1 A 117 117 ASP N N 117 118.783 123.979 -5.196 1
1 1419 . 7 1 1 A 118 118 ASP H H 118 8.083 9.160 -1.077 1
1 1420 . 7 1 1 A 118 118 ASP HA H 118 4.529 5.372 -0.843 1
1 1423 . 7 1 1 A 118 118 ASP C C 118 176.278 174.272 2.006 1
1 1424 . 7 1 1 A 118 118 ASP CA C 118 54.202 52.427 1.775 1
1 1425 . 7 1 1 A 118 118 ASP CB C 118 40.933 42.465 -1.532 1
1 1426 . 7 1 1 A 118 118 ASP N N 118 119.935 124.218 -4.283 1
1 1427 . 7 1 1 A 119 119 TYR H H 119 8.107 8.938 -0.831 1
1 1428 . 7 1 1 A 119 119 TYR HA H 119 4.450 5.037 -0.587 1
1 1435 . 7 1 1 A 119 119 TYR C C 119 175.825 173.301 2.524 1
1 1436 . 7 1 1 A 119 119 TYR CA C 119 58.350 58.019 0.331 1
1 1437 . 7 1 1 A 119 119 TYR CB C 119 38.260 42.061 -3.801 1
1 1442 . 7 1 1 A 119 119 TYR N N 119 120.415 120.238 0.177 1
1 1443 . 7 1 1 A 120 120 ASN H H 120 8.276 8.244 0.032 1
1 1444 . 7 1 1 A 120 120 ASN HA H 120 4.615 4.646 -0.031 1
1 1449 . 7 1 1 A 120 120 ASN C C 120 175.102 174.304 0.798 1
1 1450 . 7 1 1 A 120 120 ASN CA C 120 53.396 52.520 0.876 1
1 1451 . 7 1 1 A 120 120 ASN CB C 120 38.712 38.256 0.456 1
1 1452 . 7 1 1 A 120 120 ASN N N 120 119.834 126.187 -6.353 1
1 1454 . 7 1 1 A 121 121 VAL H H 121 7.897 8.485 -0.588 1
1 1455 . 7 1 1 A 121 121 VAL HA H 121 4.009 4.144 -0.135 1
1 1463 . 7 1 1 A 121 121 VAL C C 121 176.484 176.116 0.368 1
1 1464 . 7 1 1 A 121 121 VAL CA C 121 62.950 64.360 -1.410 1
1 1465 . 7 1 1 A 121 121 VAL CB C 121 32.326 32.276 0.050 1
1 1468 . 7 1 1 A 121 121 VAL N N 121 120.109 126.641 -6.532 1
1 1469 . 7 1 1 A 122 122 VAL H H 122 8.091 7.166 0.925 1
1 1470 . 7 1 1 A 122 122 VAL HA H 122 4.014 4.244 -0.230 1
1 1478 . 7 1 1 A 122 122 VAL C C 122 176.568 175.531 1.037 1
1 1479 . 7 1 1 A 122 122 VAL CA C 122 62.924 62.222 0.702 1
1 1480 . 7 1 1 A 122 122 VAL CB C 122 32.279 31.044 1.235 1
1 1483 . 7 1 1 A 122 122 VAL N N 122 122.407 121.965 0.442 1
1 1484 . 7 1 1 A 123 123 SER H H 123 8.228 8.459 -0.231 1
1 1485 . 7 1 1 A 123 123 SER HA H 123 4.385 4.679 -0.294 1
1 1488 . 7 1 1 A 123 123 SER C C 123 174.863 173.398 1.465 1
1 1489 . 7 1 1 A 123 123 SER CA C 123 58.525 57.462 1.063 1
1 1490 . 7 1 1 A 123 123 SER CB C 123 63.450 64.903 -1.453 1
1 1491 . 7 1 1 A 123 123 SER N N 123 118.095 122.496 -4.401 1
1 1492 . 7 1 1 A 124 124 ARG H H 124 8.208 7.476 0.732 1
1 1493 . 7 1 1 A 124 124 ARG HA H 124 4.297 5.070 -0.773 1
1 1500 . 7 1 1 A 124 124 ARG C C 124 176.328 174.524 1.804 1
1 1501 . 7 1 1 A 124 124 ARG CA C 124 56.408 54.752 1.656 1
1 1502 . 7 1 1 A 124 124 ARG CB C 124 30.480 33.142 -2.662 1
1 1505 . 7 1 1 A 124 124 ARG N N 124 122.632 121.131 1.501 1
1 1506 . 7 1 1 A 125 125 LEU H H 125 8.081 8.823 -0.742 1
1 1507 . 7 1 1 A 125 125 LEU HA H 125 4.262 4.948 -0.686 1
1 1517 . 7 1 1 A 125 125 LEU C C 125 177.375 174.771 2.604 1
1 1518 . 7 1 1 A 125 125 LEU CA C 125 55.282 53.852 1.430 1
1 1519 . 7 1 1 A 125 125 LEU CB C 125 42.042 45.104 -3.062 1
1 1523 . 7 1 1 A 125 125 LEU N N 125 121.964 122.172 -0.208 1
1 1524 . 7 1 1 A 126 126 GLU H H 126 8.232 8.659 -0.427 1
1 1525 . 7 1 1 A 126 126 GLU HA H 126 4.179 4.798 -0.619 1
1 1530 . 7 1 1 A 126 126 GLU C C 126 176.238 174.291 1.947 1
1 1531 . 7 1 1 A 126 126 GLU CA C 126 56.451 55.281 1.170 1
1 1532 . 7 1 1 A 126 126 GLU CB C 126 30.131 33.157 -3.026 1
1 14 . 8 1 1 A 2 2 GLU H H 2 8.824 8.684 0.140 1
1 15 . 8 1 1 A 2 2 GLU HA H 2 4.687 4.800 -0.113 1
1 20 . 8 1 1 A 2 2 GLU C C 2 175.506 176.296 -0.790 1
1 21 . 8 1 1 A 2 2 GLU CA C 2 54.603 54.171 0.432 1
1 22 . 8 1 1 A 2 2 GLU CB C 2 29.310 30.811 -1.501 1
1 24 . 8 1 1 A 2 2 GLU N N 2 125.698 124.437 1.261 1
1 25 . 8 1 1 A 3 3 PRO HA H 3 4.398 4.378 0.020 1
1 32 . 8 1 1 A 3 3 PRO C C 3 176.267 176.731 -0.464 1
1 33 . 8 1 1 A 3 3 PRO CA C 3 64.781 64.942 -0.161 1
1 34 . 8 1 1 A 3 3 PRO CB C 3 31.918 31.922 -0.004 1
1 37 . 8 1 1 A 4 4 GLN H H 4 7.738 7.927 -0.189 1
1 38 . 8 1 1 A 4 4 GLN HA H 4 4.908 5.037 -0.129 1
1 45 . 8 1 1 A 4 4 GLN C C 4 175.006 174.533 0.473 1
1 46 . 8 1 1 A 4 4 GLN CA C 4 54.697 54.446 0.251 1
1 47 . 8 1 1 A 4 4 GLN CB C 4 31.196 31.925 -0.729 1
1 49 . 8 1 1 A 4 4 GLN N N 4 114.971 118.155 -3.184 1
1 51 . 8 1 1 A 5 5 SER H H 5 9.180 9.330 -0.150 1
1 52 . 8 1 1 A 5 5 SER HA H 5 4.825 5.618 -0.793 1
1 55 . 8 1 1 A 5 5 SER C C 5 172.669 172.648 0.021 1
1 56 . 8 1 1 A 5 5 SER CA C 5 58.100 56.085 2.015 1
1 57 . 8 1 1 A 5 5 SER CB C 5 65.536 65.969 -0.433 1
1 58 . 8 1 1 A 5 5 SER N N 5 117.801 118.244 -0.443 1
1 59 . 8 1 1 A 6 6 ASP H H 6 8.386 8.598 -0.212 1
1 60 . 8 1 1 A 6 6 ASP HA H 6 4.841 4.774 0.067 1
1 63 . 8 1 1 A 6 6 ASP C C 6 177.071 177.023 0.048 1
1 64 . 8 1 1 A 6 6 ASP CA C 6 53.810 54.525 -0.715 1
1 65 . 8 1 1 A 6 6 ASP CB C 6 42.427 43.313 -0.886 1
1 66 . 8 1 1 A 6 6 ASP N N 6 123.042 124.730 -1.688 1
1 67 . 8 1 1 A 7 7 ALA H H 7 9.312 9.108 0.204 1
1 68 . 8 1 1 A 7 7 ALA HA H 7 4.036 4.122 -0.086 1
1 72 . 8 1 1 A 7 7 ALA C C 7 178.859 179.658 -0.799 1
1 73 . 8 1 1 A 7 7 ALA CA C 7 55.703 55.616 0.087 1
1 74 . 8 1 1 A 7 7 ALA CB C 7 17.952 18.281 -0.329 1
1 75 . 8 1 1 A 7 7 ALA N N 7 123.976 128.694 -4.718 1
1 76 . 8 1 1 A 8 8 HIS H H 8 8.537 7.880 0.657 1
1 77 . 8 1 1 A 8 8 HIS HA H 8 3.950 4.192 -0.242 1
1 82 . 8 1 1 A 8 8 HIS C C 8 178.023 177.191 0.832 1
1 83 . 8 1 1 A 8 8 HIS CA C 8 59.778 59.886 -0.108 1
1 84 . 8 1 1 A 8 8 HIS CB C 8 29.039 30.070 -1.031 1
1 87 . 8 1 1 A 8 8 HIS N N 8 114.303 118.236 -3.933 1
1 90 . 8 1 1 A 9 9 VAL H H 9 7.567 8.293 -0.726 1
1 91 . 8 1 1 A 9 9 VAL HA H 9 3.709 3.334 0.375 1
1 99 . 8 1 1 A 9 9 VAL C C 9 178.518 178.018 0.500 1
1 100 . 8 1 1 A 9 9 VAL CA C 9 65.508 66.764 -1.256 1
1 101 . 8 1 1 A 9 9 VAL CB C 9 31.604 31.151 0.453 1
1 104 . 8 1 1 A 9 9 VAL N N 9 121.235 119.158 2.077 1
1 105 . 8 1 1 A 10 10 LEU H H 10 7.219 8.393 -1.174 1
1 106 . 8 1 1 A 10 10 LEU HA H 10 3.716 3.715 0.001 1
1 116 . 8 1 1 A 10 10 LEU C C 10 177.133 178.183 -1.050 1
1 117 . 8 1 1 A 10 10 LEU CA C 10 57.133 58.499 -1.366 1
1 118 . 8 1 1 A 10 10 LEU CB C 10 40.756 41.392 -0.636 1
1 122 . 8 1 1 A 10 10 LEU N N 10 120.890 119.758 1.132 1
1 123 . 8 1 1 A 11 11 LYS H H 11 8.568 8.121 0.447 1
1 124 . 8 1 1 A 11 11 LYS HA H 11 3.943 3.778 0.165 1
1 133 . 8 1 1 A 11 11 LYS C C 11 178.143 179.029 -0.886 1
1 134 . 8 1 1 A 11 11 LYS CA C 11 60.388 59.558 0.830 1
1 135 . 8 1 1 A 11 11 LYS CB C 11 32.354 31.758 0.596 1
1 139 . 8 1 1 A 11 11 LYS N N 11 120.361 119.746 0.615 1
1 140 . 8 1 1 A 12 12 SER H H 12 7.865 7.933 -0.068 1
1 141 . 8 1 1 A 12 12 SER HA H 12 4.225 4.173 0.052 1
1 144 . 8 1 1 A 12 12 SER C C 12 175.839 176.900 -1.061 1
1 145 . 8 1 1 A 12 12 SER CA C 12 61.626 61.720 -0.094 1
1 146 . 8 1 1 A 12 12 SER CB C 12 62.749 62.647 0.102 1
1 147 . 8 1 1 A 12 12 SER N N 12 113.173 117.119 -3.946 1
1 148 . 8 1 1 A 13 13 ARG H H 13 7.701 7.564 0.137 1
1 149 . 8 1 1 A 13 13 ARG HA H 13 3.827 4.204 -0.377 1
1 157 . 8 1 1 A 13 13 ARG C C 13 178.606 179.198 -0.592 1
1 158 . 8 1 1 A 13 13 ARG CA C 13 58.926 58.862 0.064 1
1 159 . 8 1 1 A 13 13 ARG CB C 13 29.616 29.422 0.194 1
1 162 . 8 1 1 A 13 13 ARG N N 13 122.104 121.997 0.107 1
1 164 . 8 1 1 A 14 14 LEU H H 14 8.308 8.365 -0.057 1
1 165 . 8 1 1 A 14 14 LEU HA H 14 4.219 4.322 -0.103 1
1 175 . 8 1 1 A 14 14 LEU C C 14 178.590 178.793 -0.203 1
1 176 . 8 1 1 A 14 14 LEU CA C 14 57.904 58.273 -0.369 1
1 177 . 8 1 1 A 14 14 LEU CB C 14 42.627 42.012 0.615 1
1 181 . 8 1 1 A 14 14 LEU N N 14 119.549 122.088 -2.539 1
1 182 . 8 1 1 A 15 15 GLU H H 15 7.824 8.284 -0.460 1
1 183 . 8 1 1 A 15 15 GLU HA H 15 3.998 4.086 -0.088 1
1 188 . 8 1 1 A 15 15 GLU C C 15 177.805 178.443 -0.638 1
1 189 . 8 1 1 A 15 15 GLU CA C 15 58.219 58.997 -0.778 1
1 190 . 8 1 1 A 15 15 GLU CB C 15 29.865 30.398 -0.533 1
1 192 . 8 1 1 A 15 15 GLU N N 15 116.921 118.387 -1.466 1
1 193 . 8 1 1 A 16 16 TRP H H 16 7.905 8.478 -0.573 1
1 194 . 8 1 1 A 16 16 TRP HA H 16 4.895 4.637 0.258 1
1 203 . 8 1 1 A 16 16 TRP C C 16 176.778 177.283 -0.505 1
1 204 . 8 1 1 A 16 16 TRP CA C 16 57.033 59.542 -2.509 1
1 205 . 8 1 1 A 16 16 TRP CB C 16 30.513 30.839 -0.326 1
1 211 . 8 1 1 A 16 16 TRP N N 16 116.589 118.553 -1.964 1
1 213 . 8 1 1 A 17 17 GLY H H 17 8.007 8.041 -0.034 1
1 214 . 8 1 1 A 17 17 GLY HA2 H 17 3.979 4.200 -0.221 1
1 215 . 8 1 1 A 17 17 GLY HA3 H 17 4.200 4.222 -0.022 1
1 216 . 8 1 1 A 17 17 GLY C C 17 173.650 173.384 0.266 1
1 217 . 8 1 1 A 17 17 GLY CA C 17 44.786 44.467 0.319 1
1 218 . 8 1 1 A 17 17 GLY N N 17 108.398 107.803 0.595 1
1 219 . 8 1 1 A 18 18 GLU H H 18 8.483 8.648 -0.165 1
1 220 . 8 1 1 A 18 18 GLU HA H 18 4.534 4.718 -0.184 1
1 225 . 8 1 1 A 18 18 GLU C C 18 176.535 176.144 0.391 1
1 226 . 8 1 1 A 18 18 GLU CA C 18 54.615 53.770 0.845 1
1 227 . 8 1 1 A 18 18 GLU CB C 18 29.654 29.845 -0.191 1
1 229 . 8 1 1 A 18 18 GLU N N 18 121.984 119.865 2.119 1
1 230 . 8 1 1 A 19 19 PRO HA H 19 4.549 4.180 0.369 1
1 237 . 8 1 1 A 19 19 PRO C C 19 176.737 175.879 0.858 1
1 238 . 8 1 1 A 19 19 PRO CA C 19 63.685 62.892 0.793 1
1 239 . 8 1 1 A 19 19 PRO CB C 19 30.940 30.182 0.758 1
1 242 . 8 1 1 A 20 20 ALA H H 20 8.386 8.086 0.300 1
1 243 . 8 1 1 A 20 20 ALA HA H 20 4.536 4.326 0.210 1
1 247 . 8 1 1 A 20 20 ALA C C 20 174.844 177.401 -2.557 1
1 248 . 8 1 1 A 20 20 ALA CA C 20 51.312 52.922 -1.610 1
1 249 . 8 1 1 A 20 20 ALA CB C 20 17.883 19.684 -1.801 1
1 250 . 8 1 1 A 20 20 ALA N N 20 126.537 123.153 3.384 1
1 251 . 8 1 1 A 21 21 PHE H H 21 7.244 7.288 -0.044 1
1 252 . 8 1 1 A 21 21 PHE HA H 21 5.485 5.122 0.363 1
1 260 . 8 1 1 A 21 21 PHE C C 21 173.639 174.486 -0.847 1
1 261 . 8 1 1 A 21 21 PHE CA C 21 55.312 55.463 -0.151 1
1 262 . 8 1 1 A 21 21 PHE CB C 21 41.581 41.892 -0.311 1
1 268 . 8 1 1 A 21 21 PHE N N 21 115.447 115.651 -0.204 1
1 269 . 8 1 1 A 22 22 THR H H 22 9.203 9.133 0.070 1
1 270 . 8 1 1 A 22 22 THR HA H 22 4.583 5.224 -0.641 1
1 275 . 8 1 1 A 22 22 THR C C 22 171.987 173.520 -1.533 1
1 276 . 8 1 1 A 22 22 THR CA C 22 62.368 61.698 0.670 1
1 277 . 8 1 1 A 22 22 THR CB C 22 72.961 71.105 1.856 1
1 279 . 8 1 1 A 22 22 THR N N 22 119.035 114.360 4.675 1
1 280 . 8 1 1 A 23 23 ILE H H 23 9.318 9.314 0.004 1
1 281 . 8 1 1 A 23 23 ILE HA H 23 5.172 5.333 -0.161 1
1 291 . 8 1 1 A 23 23 ILE C C 23 173.969 175.230 -1.261 1
1 292 . 8 1 1 A 23 23 ILE CA C 23 59.958 59.904 0.054 1
1 293 . 8 1 1 A 23 23 ILE CB C 23 40.273 39.361 0.912 1
1 297 . 8 1 1 A 23 23 ILE N N 23 127.452 128.199 -0.747 1
1 298 . 8 1 1 A 24 24 LEU H H 24 9.522 9.746 -0.224 1
1 299 . 8 1 1 A 24 24 LEU HA H 24 4.871 5.136 -0.265 1
1 309 . 8 1 1 A 24 24 LEU C C 24 172.823 175.292 -2.469 1
1 310 . 8 1 1 A 24 24 LEU CA C 24 53.100 53.072 0.028 1
1 311 . 8 1 1 A 24 24 LEU CB C 24 44.522 44.200 0.322 1
1 315 . 8 1 1 A 24 24 LEU N N 24 127.148 127.308 -0.160 1
1 316 . 8 1 1 A 25 25 ASP H H 25 8.325 8.831 -0.506 1
1 317 . 8 1 1 A 25 25 ASP HA H 25 4.112 4.177 -0.065 1
1 320 . 8 1 1 A 25 25 ASP C C 25 177.457 176.751 0.706 1
1 321 . 8 1 1 A 25 25 ASP CA C 25 51.097 52.542 -1.445 1
1 322 . 8 1 1 A 25 25 ASP CB C 25 43.056 40.539 2.517 1
1 323 . 8 1 1 A 25 25 ASP N N 25 122.856 123.889 -1.033 1
1 324 . 8 1 1 A 26 26 VAL H H 26 7.924 7.908 0.016 1
1 325 . 8 1 1 A 26 26 VAL HA H 26 4.964 4.484 0.480 1
1 333 . 8 1 1 A 26 26 VAL C C 26 176.585 176.860 -0.275 1
1 334 . 8 1 1 A 26 26 VAL CA C 26 59.554 61.632 -2.078 1
1 335 . 8 1 1 A 26 26 VAL CB C 26 30.002 31.776 -1.774 1
1 338 . 8 1 1 A 26 26 VAL N N 26 117.391 120.305 -2.914 1
1 339 . 8 1 1 A 27 27 ARG H H 27 7.773 7.282 0.491 1
1 340 . 8 1 1 A 27 27 ARG HA H 27 4.418 4.056 0.362 1
1 352 . 8 1 1 A 27 27 ARG C C 27 173.931 175.894 -1.963 1
1 353 . 8 1 1 A 27 27 ARG CA C 27 55.487 58.090 -2.603 1
1 354 . 8 1 1 A 27 27 ARG CB C 27 30.337 30.822 -0.485 1
1 357 . 8 1 1 A 27 27 ARG N N 27 121.126 121.055 0.071 1
1 361 . 8 1 1 A 28 28 ASP H H 28 7.792 7.705 0.087 1
1 362 . 8 1 1 A 28 28 ASP HA H 28 4.431 4.774 -0.343 1
1 365 . 8 1 1 A 28 28 ASP C C 28 176.402 175.788 0.614 1
1 366 . 8 1 1 A 28 28 ASP CA C 28 54.427 53.734 0.693 1
1 367 . 8 1 1 A 28 28 ASP CB C 28 41.498 43.870 -2.372 1
1 368 . 8 1 1 A 28 28 ASP N N 28 115.368 114.450 0.918 1
1 369 . 8 1 1 A 29 29 ARG H H 29 8.781 8.723 0.058 1
1 370 . 8 1 1 A 29 29 ARG HA H 29 3.853 3.940 -0.087 1
1 378 . 8 1 1 A 29 29 ARG C C 29 177.811 177.817 -0.006 1
1 379 . 8 1 1 A 29 29 ARG CA C 29 58.920 59.178 -0.258 1
1 380 . 8 1 1 A 29 29 ARG CB C 29 29.762 29.986 -0.224 1
1 383 . 8 1 1 A 29 29 ARG N N 29 121.538 125.531 -3.993 1
1 385 . 8 1 1 A 30 30 SER H H 30 8.478 8.393 0.085 1
1 386 . 8 1 1 A 30 30 SER HA H 30 4.190 4.204 -0.014 1
1 389 . 8 1 1 A 30 30 SER C C 30 176.814 177.346 -0.532 1
1 390 . 8 1 1 A 30 30 SER CA C 30 61.929 61.424 0.505 1
1 391 . 8 1 1 A 30 30 SER CB C 30 62.051 62.532 -0.481 1
1 392 . 8 1 1 A 30 30 SER N N 30 113.937 115.399 -1.462 1
1 393 . 8 1 1 A 31 31 THR H H 31 7.724 7.992 -0.268 1
1 394 . 8 1 1 A 31 31 THR HA H 31 4.096 4.050 0.046 1
1 399 . 8 1 1 A 31 31 THR C C 31 176.940 175.913 1.027 1
1 400 . 8 1 1 A 31 31 THR CA C 31 66.078 66.246 -0.168 1
1 401 . 8 1 1 A 31 31 THR CB C 31 67.583 68.379 -0.796 1
1 403 . 8 1 1 A 31 31 THR N N 31 120.025 117.047 2.978 1
1 404 . 8 1 1 A 32 32 TYR H H 32 8.186 8.564 -0.378 1
1 405 . 8 1 1 A 32 32 TYR HA H 32 4.009 4.093 -0.084 1
1 410 . 8 1 1 A 32 32 TYR C C 32 180.166 177.415 2.751 1
1 411 . 8 1 1 A 32 32 TYR CA C 32 61.797 62.153 -0.356 1
1 412 . 8 1 1 A 32 32 TYR CB C 32 37.300 38.444 -1.144 1
1 415 . 8 1 1 A 32 32 TYR N N 32 123.636 122.600 1.036 1
1 416 . 8 1 1 A 33 33 ASN H H 33 8.838 8.281 0.557 1
1 417 . 8 1 1 A 33 33 ASN HA H 33 4.435 4.373 0.062 1
1 422 . 8 1 1 A 33 33 ASN C C 33 176.730 177.554 -0.824 1
1 423 . 8 1 1 A 33 33 ASN CA C 33 55.167 56.207 -1.040 1
1 424 . 8 1 1 A 33 33 ASN CB C 33 37.308 37.802 -0.494 1
1 425 . 8 1 1 A 33 33 ASN N N 33 122.000 118.221 3.779 1
1 427 . 8 1 1 A 34 34 ASP H H 34 7.510 7.889 -0.379 1
1 428 . 8 1 1 A 34 34 ASP HA H 34 4.587 4.489 0.098 1
1 431 . 8 1 1 A 34 34 ASP C C 34 177.045 176.616 0.429 1
1 432 . 8 1 1 A 34 34 ASP CA C 34 56.487 56.404 0.083 1
1 433 . 8 1 1 A 34 34 ASP CB C 34 40.822 41.521 -0.699 1
1 434 . 8 1 1 A 34 34 ASP N N 34 119.832 118.426 1.406 1
1 435 . 8 1 1 A 35 35 GLY H H 35 7.412 7.429 -0.017 1
1 436 . 8 1 1 A 35 35 GLY HA2 H 35 3.997 4.044 -0.047 1
1 437 . 8 1 1 A 35 35 GLY HA3 H 35 3.997 4.085 -0.088 1
1 438 . 8 1 1 A 35 35 GLY C C 35 171.246 171.655 -0.409 1
1 439 . 8 1 1 A 35 35 GLY CA C 35 46.441 45.986 0.455 1
1 440 . 8 1 1 A 35 35 GLY N N 35 106.611 104.931 1.680 1
1 441 . 8 1 1 A 36 36 HIS H H 36 8.441 8.967 -0.526 1
1 442 . 8 1 1 A 36 36 HIS HA H 36 4.782 5.384 -0.602 1
1 447 . 8 1 1 A 36 36 HIS C C 36 172.800 173.620 -0.820 1
1 448 . 8 1 1 A 36 36 HIS CA C 36 53.425 53.818 -0.393 1
1 449 . 8 1 1 A 36 36 HIS CB C 36 31.978 31.737 0.241 1
1 452 . 8 1 1 A 36 36 HIS N N 36 117.929 119.656 -1.727 1
1 455 . 8 1 1 A 37 37 ILE H H 37 8.087 8.859 -0.772 1
1 456 . 8 1 1 A 37 37 ILE HA H 37 3.223 3.745 -0.522 1
1 466 . 8 1 1 A 37 37 ILE C C 37 175.423 176.097 -0.674 1
1 467 . 8 1 1 A 37 37 ILE CA C 37 64.607 61.798 2.809 1
1 468 . 8 1 1 A 37 37 ILE CB C 37 37.269 37.789 -0.520 1
1 472 . 8 1 1 A 37 37 ILE N N 37 120.831 120.877 -0.046 1
1 473 . 8 1 1 A 38 38 MET H H 38 7.625 8.445 -0.820 1
1 474 . 8 1 1 A 38 38 MET HA H 38 3.953 4.148 -0.195 1
1 482 . 8 1 1 A 38 38 MET C C 38 174.632 177.279 -2.647 1
1 483 . 8 1 1 A 38 38 MET CA C 38 57.865 57.051 0.814 1
1 484 . 8 1 1 A 38 38 MET CB C 38 32.882 32.230 0.652 1
1 487 . 8 1 1 A 38 38 MET N N 38 128.683 125.696 2.987 1
1 488 . 8 1 1 A 39 39 GLY H H 39 8.795 8.859 -0.064 1
1 489 . 8 1 1 A 39 39 GLY HA2 H 39 3.727 3.872 -0.145 1
1 490 . 8 1 1 A 39 39 GLY HA3 H 39 4.345 3.902 0.443 1
1 491 . 8 1 1 A 39 39 GLY C C 39 175.442 174.726 0.716 1
1 492 . 8 1 1 A 39 39 GLY CA C 39 44.964 45.886 -0.922 1
1 493 . 8 1 1 A 39 39 GLY N N 39 113.814 114.243 -0.429 1
1 494 . 8 1 1 A 40 40 ALA H H 40 8.566 8.032 0.534 1
1 495 . 8 1 1 A 40 40 ALA HA H 40 4.656 4.601 0.055 1
1 499 . 8 1 1 A 40 40 ALA C C 40 177.459 176.615 0.844 1
1 500 . 8 1 1 A 40 40 ALA CA C 40 52.139 52.022 0.117 1
1 501 . 8 1 1 A 40 40 ALA CB C 40 20.657 20.804 -0.147 1
1 502 . 8 1 1 A 40 40 ALA N N 40 122.444 123.849 -1.405 1
1 503 . 8 1 1 A 41 41 MET H H 41 9.268 9.019 0.249 1
1 504 . 8 1 1 A 41 41 MET HA H 41 4.478 4.955 -0.477 1
1 512 . 8 1 1 A 41 41 MET C C 41 174.328 175.360 -1.032 1
1 513 . 8 1 1 A 41 41 MET CA C 41 54.330 53.801 0.529 1
1 514 . 8 1 1 A 41 41 MET CB C 41 34.473 34.039 0.434 1
1 517 . 8 1 1 A 41 41 MET N N 41 123.908 119.242 4.666 1
1 518 . 8 1 1 A 42 42 ALA H H 42 8.162 8.454 -0.292 1
1 519 . 8 1 1 A 42 42 ALA HA H 42 3.870 3.672 0.198 1
1 523 . 8 1 1 A 42 42 ALA C C 42 177.157 175.873 1.284 1
1 524 . 8 1 1 A 42 42 ALA CA C 42 51.888 51.128 0.760 1
1 525 . 8 1 1 A 42 42 ALA CB C 42 16.282 16.856 -0.574 1
1 526 . 8 1 1 A 42 42 ALA N N 42 126.936 125.266 1.670 1
1 527 . 8 1 1 A 43 43 MET H H 43 8.109 7.599 0.510 1
1 528 . 8 1 1 A 43 43 MET HA H 43 4.386 4.924 -0.538 1
1 536 . 8 1 1 A 43 43 MET C C 43 168.952 173.429 -4.477 1
1 537 . 8 1 1 A 43 43 MET CA C 43 53.535 52.573 0.962 1
1 538 . 8 1 1 A 43 43 MET CB C 43 34.346 33.033 1.313 1
1 541 . 8 1 1 A 43 43 MET N N 43 125.282 121.707 3.575 1
1 542 . 8 1 1 A 44 44 PRO HA H 44 3.949 4.578 -0.629 1
1 549 . 8 1 1 A 44 44 PRO C C 44 179.070 177.185 1.885 1
1 550 . 8 1 1 A 44 44 PRO CA C 44 62.524 62.413 0.111 1
1 551 . 8 1 1 A 44 44 PRO CB C 44 32.611 32.339 0.272 1
1 554 . 8 1 1 A 45 45 ILE H H 45 7.764 8.621 -0.857 1
1 555 . 8 1 1 A 45 45 ILE HA H 45 3.851 3.908 -0.057 1
1 565 . 8 1 1 A 45 45 ILE C C 45 175.827 177.689 -1.862 1
1 566 . 8 1 1 A 45 45 ILE CA C 45 64.676 63.361 1.315 1
1 567 . 8 1 1 A 45 45 ILE CB C 45 38.991 38.022 0.969 1
1 571 . 8 1 1 A 45 45 ILE N N 45 121.655 122.916 -1.261 1
1 572 . 8 1 1 A 46 46 GLU H H 46 9.102 8.224 0.878 1
1 573 . 8 1 1 A 46 46 GLU HA H 46 4.056 4.069 -0.013 1
1 578 . 8 1 1 A 46 46 GLU C C 46 176.499 177.824 -1.325 1
1 579 . 8 1 1 A 46 46 GLU CA C 46 59.349 59.441 -0.092 1
1 580 . 8 1 1 A 46 46 GLU CB C 46 28.456 29.800 -1.344 1
1 582 . 8 1 1 A 46 46 GLU N N 46 121.004 121.870 -0.866 1
1 583 . 8 1 1 A 47 47 ASP H H 47 7.729 7.695 0.034 1
1 584 . 8 1 1 A 47 47 ASP HA H 47 5.059 4.792 0.267 1
1 587 . 8 1 1 A 47 47 ASP C C 47 175.683 176.448 -0.765 1
1 588 . 8 1 1 A 47 47 ASP CA C 47 53.266 54.144 -0.878 1
1 589 . 8 1 1 A 47 47 ASP CB C 47 42.048 41.619 0.429 1
1 590 . 8 1 1 A 47 47 ASP N N 47 117.171 117.349 -0.178 1
1 591 . 8 1 1 A 48 48 LEU H H 48 7.193 7.480 -0.287 1
1 592 . 8 1 1 A 48 48 LEU HA H 48 3.690 3.860 -0.170 1
1 602 . 8 1 1 A 48 48 LEU C C 48 176.829 178.325 -1.496 1
1 603 . 8 1 1 A 48 48 LEU CA C 48 58.905 58.862 0.043 1
1 604 . 8 1 1 A 48 48 LEU CB C 48 43.334 41.730 1.604 1
1 608 . 8 1 1 A 48 48 LEU N N 48 121.314 121.621 -0.307 1
1 609 . 8 1 1 A 49 49 VAL H H 49 8.507 8.033 0.474 1
1 610 . 8 1 1 A 49 49 VAL HA H 49 3.290 3.486 -0.196 1
1 618 . 8 1 1 A 49 49 VAL C C 49 178.915 177.878 1.037 1
1 619 . 8 1 1 A 49 49 VAL CA C 49 67.886 66.984 0.902 1
1 620 . 8 1 1 A 49 49 VAL CB C 49 30.881 31.663 -0.782 1
1 623 . 8 1 1 A 49 49 VAL N N 49 116.698 119.252 -2.554 1
1 624 . 8 1 1 A 50 50 ASP H H 50 8.474 8.396 0.078 1
1 625 . 8 1 1 A 50 50 ASP HA H 50 4.396 4.280 0.116 1
1 628 . 8 1 1 A 50 50 ASP C C 50 178.890 178.741 0.149 1
1 629 . 8 1 1 A 50 50 ASP CA C 50 57.477 57.524 -0.047 1
1 630 . 8 1 1 A 50 50 ASP CB C 50 40.945 42.052 -1.107 1
1 631 . 8 1 1 A 50 50 ASP N N 50 121.526 120.095 1.431 1
1 632 . 8 1 1 A 51 51 ARG H H 51 8.334 8.302 0.032 1
1 633 . 8 1 1 A 51 51 ARG HA H 51 4.079 3.969 0.110 1
1 641 . 8 1 1 A 51 51 ARG C C 51 179.634 178.842 0.792 1
1 642 . 8 1 1 A 51 51 ARG CA C 51 58.378 59.269 -0.891 1
1 643 . 8 1 1 A 51 51 ARG CB C 51 29.692 30.216 -0.524 1
1 646 . 8 1 1 A 51 51 ARG N N 51 118.666 117.812 0.854 1
1 648 . 8 1 1 A 52 52 ALA H H 52 9.250 8.188 1.062 1
1 649 . 8 1 1 A 52 52 ALA HA H 52 3.752 4.143 -0.391 1
1 653 . 8 1 1 A 52 52 ALA C C 52 179.710 179.865 -0.155 1
1 654 . 8 1 1 A 52 52 ALA CA C 52 55.830 55.167 0.663 1
1 655 . 8 1 1 A 52 52 ALA CB C 52 18.164 17.961 0.203 1
1 656 . 8 1 1 A 52 52 ALA N N 52 124.004 122.175 1.829 1
1 657 . 8 1 1 A 53 53 SER H H 53 8.392 8.324 0.068 1
1 658 . 8 1 1 A 53 53 SER HA H 53 4.457 4.405 0.052 1
1 661 . 8 1 1 A 53 53 SER C C 53 175.807 176.235 -0.428 1
1 662 . 8 1 1 A 53 53 SER CA C 53 62.214 61.428 0.786 1
1 663 . 8 1 1 A 53 53 SER CB C 53 62.805 63.117 -0.312 1
1 664 . 8 1 1 A 53 53 SER N N 53 111.154 114.207 -3.053 1
1 665 . 8 1 1 A 54 54 SER H H 54 7.570 7.788 -0.218 1
1 666 . 8 1 1 A 54 54 SER HA H 54 4.512 4.296 0.216 1
1 669 . 8 1 1 A 54 54 SER C C 54 175.210 176.564 -1.354 1
1 670 . 8 1 1 A 54 54 SER CA C 54 59.567 61.267 -1.700 1
1 671 . 8 1 1 A 54 54 SER CB C 54 63.902 63.318 0.584 1
1 672 . 8 1 1 A 54 54 SER N N 54 112.745 117.104 -4.359 1
1 673 . 8 1 1 A 55 55 SER H H 55 7.501 7.765 -0.264 1
1 674 . 8 1 1 A 55 55 SER HA H 55 4.744 4.647 0.097 1
1 677 . 8 1 1 A 55 55 SER C C 55 173.106 173.521 -0.415 1
1 678 . 8 1 1 A 55 55 SER CA C 55 59.905 58.654 1.251 1
1 679 . 8 1 1 A 55 55 SER CB C 55 65.881 63.956 1.925 1
1 680 . 8 1 1 A 55 55 SER N N 55 113.238 114.323 -1.085 1
1 681 . 8 1 1 A 56 56 LEU H H 56 8.320 7.569 0.751 1
1 682 . 8 1 1 A 56 56 LEU HA H 56 4.823 4.885 -0.062 1
1 692 . 8 1 1 A 56 56 LEU C C 56 175.441 175.973 -0.532 1
1 693 . 8 1 1 A 56 56 LEU CA C 56 53.476 53.815 -0.339 1
1 694 . 8 1 1 A 56 56 LEU CB C 56 44.655 46.444 -1.789 1
1 698 . 8 1 1 A 56 56 LEU N N 56 122.043 121.778 0.265 1
1 699 . 8 1 1 A 57 57 GLU H H 57 8.510 8.982 -0.472 1
1 700 . 8 1 1 A 57 57 GLU HA H 57 4.334 4.573 -0.239 1
1 705 . 8 1 1 A 57 57 GLU C C 57 177.869 177.076 0.793 1
1 706 . 8 1 1 A 57 57 GLU CA C 57 55.911 54.857 1.054 1
1 707 . 8 1 1 A 57 57 GLU CB C 57 30.193 31.612 -1.419 1
1 709 . 8 1 1 A 57 57 GLU N N 57 121.479 121.177 0.302 1
1 710 . 8 1 1 A 58 58 LYS H H 58 8.513 8.645 -0.132 1
1 711 . 8 1 1 A 58 58 LYS HA H 58 3.811 4.193 -0.382 1
1 720 . 8 1 1 A 58 58 LYS C C 58 178.345 177.763 0.582 1
1 721 . 8 1 1 A 58 58 LYS CA C 58 58.526 58.060 0.466 1
1 722 . 8 1 1 A 58 58 LYS CB C 58 31.265 32.882 -1.617 1
1 726 . 8 1 1 A 58 58 LYS N N 58 120.689 122.920 -2.231 1
1 727 . 8 1 1 A 59 59 SER H H 59 7.912 7.645 0.267 1
1 728 . 8 1 1 A 59 59 SER HA H 59 4.437 4.752 -0.315 1
1 731 . 8 1 1 A 59 59 SER C C 59 174.216 174.374 -0.158 1
1 732 . 8 1 1 A 59 59 SER CA C 59 57.862 58.581 -0.719 1
1 733 . 8 1 1 A 59 59 SER CB C 59 63.682 63.667 0.015 1
1 734 . 8 1 1 A 59 59 SER N N 59 111.530 113.151 -1.621 1
1 735 . 8 1 1 A 60 60 ARG H H 60 7.477 7.739 -0.262 1
1 736 . 8 1 1 A 60 60 ARG HA H 60 4.199 4.169 0.030 1
1 744 . 8 1 1 A 60 60 ARG C C 60 174.880 175.881 -1.001 1
1 745 . 8 1 1 A 60 60 ARG CA C 60 55.828 56.173 -0.345 1
1 746 . 8 1 1 A 60 60 ARG CB C 60 31.971 30.515 1.456 1
1 749 . 8 1 1 A 60 60 ARG N N 60 125.535 123.703 1.832 1
1 751 . 8 1 1 A 61 61 ASP H H 61 8.540 8.552 -0.012 1
1 752 . 8 1 1 A 61 61 ASP HA H 61 4.903 4.845 0.058 1
1 755 . 8 1 1 A 61 61 ASP C C 61 175.569 175.410 0.159 1
1 756 . 8 1 1 A 61 61 ASP CA C 61 55.438 54.340 1.098 1
1 757 . 8 1 1 A 61 61 ASP CB C 61 40.847 40.041 0.806 1
1 758 . 8 1 1 A 61 61 ASP N N 61 126.761 124.519 2.242 1
1 759 . 8 1 1 A 62 62 ILE H H 62 8.630 9.071 -0.441 1
1 760 . 8 1 1 A 62 62 ILE HA H 62 5.038 5.053 -0.015 1
1 770 . 8 1 1 A 62 62 ILE C C 62 174.444 174.368 0.076 1
1 771 . 8 1 1 A 62 62 ILE CA C 62 59.799 60.458 -0.659 1
1 772 . 8 1 1 A 62 62 ILE CB C 62 42.130 39.639 2.491 1
1 776 . 8 1 1 A 62 62 ILE N N 62 125.212 125.063 0.149 1
1 777 . 8 1 1 A 63 63 TYR H H 63 9.026 9.579 -0.553 1
1 778 . 8 1 1 A 63 63 TYR HA H 63 5.230 5.473 -0.243 1
1 785 . 8 1 1 A 63 63 TYR C C 63 175.088 175.004 0.084 1
1 786 . 8 1 1 A 63 63 TYR CA C 63 56.143 56.446 -0.303 1
1 787 . 8 1 1 A 63 63 TYR CB C 63 41.302 41.712 -0.410 1
1 792 . 8 1 1 A 63 63 TYR N N 63 125.467 126.763 -1.296 1
1 793 . 8 1 1 A 64 64 VAL H H 64 8.523 9.085 -0.562 1
1 794 . 8 1 1 A 64 64 VAL HA H 64 5.106 4.956 0.150 1
1 802 . 8 1 1 A 64 64 VAL C C 64 174.072 175.028 -0.956 1
1 803 . 8 1 1 A 64 64 VAL CA C 64 60.302 61.303 -1.001 1
1 804 . 8 1 1 A 64 64 VAL CB C 64 35.121 34.101 1.020 1
1 807 . 8 1 1 A 64 64 VAL N N 64 121.014 123.146 -2.132 1
1 808 . 8 1 1 A 65 65 TYR H H 65 8.832 8.866 -0.034 1
1 809 . 8 1 1 A 65 65 TYR HA H 65 5.289 5.815 -0.526 1
1 816 . 8 1 1 A 65 65 TYR C C 65 172.116 173.713 -1.597 1
1 817 . 8 1 1 A 65 65 TYR CA C 65 56.777 55.081 1.696 1
1 818 . 8 1 1 A 65 65 TYR CB C 65 42.528 41.875 0.653 1
1 819 . 8 1 1 A 65 65 TYR N N 65 120.331 122.868 -2.537 1
1 820 . 8 1 1 A 66 66 GLY H H 66 8.278 9.144 -0.866 1
1 821 . 8 1 1 A 66 66 GLY HA2 H 66 3.449 4.119 -0.670 1
1 822 . 8 1 1 A 66 66 GLY HA3 H 66 4.408 4.214 0.194 1
1 823 . 8 1 1 A 66 66 GLY C C 66 173.636 174.745 -1.109 1
1 824 . 8 1 1 A 66 66 GLY CA C 66 43.793 43.748 0.045 1
1 825 . 8 1 1 A 66 66 GLY N N 66 108.458 109.294 -0.836 1
1 826 . 8 1 1 A 67 67 ALA H H 67 9.485 8.604 0.881 1
1 827 . 8 1 1 A 67 67 ALA HA H 67 4.331 4.160 0.171 1
1 831 . 8 1 1 A 67 67 ALA C C 67 176.363 177.361 -0.998 1
1 832 . 8 1 1 A 67 67 ALA CA C 67 52.848 55.051 -2.203 1
1 833 . 8 1 1 A 67 67 ALA CB C 67 18.178 19.238 -1.060 1
1 834 . 8 1 1 A 67 67 ALA N N 67 126.325 122.252 4.073 1
1 835 . 8 1 1 A 68 68 GLY H H 68 7.553 7.891 -0.338 1
1 836 . 8 1 1 A 68 68 GLY HA2 H 68 4.270 4.088 0.182 1
1 837 . 8 1 1 A 68 68 GLY HA3 H 68 4.209 4.098 0.111 1
1 838 . 8 1 1 A 68 68 GLY C C 68 173.695 174.797 -1.102 1
1 839 . 8 1 1 A 68 68 GLY CA C 68 44.112 43.972 0.140 1
1 840 . 8 1 1 A 68 68 GLY N N 68 106.057 106.164 -0.107 1
1 841 . 8 1 1 A 69 69 ASP H H 69 8.904 9.149 -0.245 1
1 842 . 8 1 1 A 69 69 ASP HA H 69 4.408 4.246 0.162 1
1 845 . 8 1 1 A 69 69 ASP C C 69 178.531 177.846 0.685 1
1 846 . 8 1 1 A 69 69 ASP CA C 69 57.592 57.606 -0.014 1
1 847 . 8 1 1 A 69 69 ASP CB C 69 40.198 40.903 -0.705 1
1 848 . 8 1 1 A 69 69 ASP N N 69 121.078 121.343 -0.265 1
1 849 . 8 1 1 A 70 70 GLU H H 70 8.905 8.238 0.667 1
1 850 . 8 1 1 A 70 70 GLU HA H 70 4.110 4.058 0.052 1
1 855 . 8 1 1 A 70 70 GLU C C 70 178.745 178.475 0.270 1
1 856 . 8 1 1 A 70 70 GLU CA C 70 59.956 59.240 0.716 1
1 857 . 8 1 1 A 70 70 GLU CB C 70 28.534 29.299 -0.765 1
1 859 . 8 1 1 A 70 70 GLU N N 70 120.998 119.126 1.872 1
1 860 . 8 1 1 A 71 71 GLN H H 71 8.453 7.864 0.589 1
1 861 . 8 1 1 A 71 71 GLN HA H 71 4.106 4.068 0.038 1
1 868 . 8 1 1 A 71 71 GLN C C 71 178.164 178.357 -0.193 1
1 869 . 8 1 1 A 71 71 GLN CA C 71 59.350 58.522 0.828 1
1 870 . 8 1 1 A 71 71 GLN CB C 71 29.682 28.444 1.238 1
1 872 . 8 1 1 A 71 71 GLN N N 71 121.273 119.930 1.343 1
1 874 . 8 1 1 A 72 72 THR H H 72 8.267 8.146 0.121 1
1 875 . 8 1 1 A 72 72 THR HA H 72 3.524 3.863 -0.339 1
1 880 . 8 1 1 A 72 72 THR C C 72 175.546 176.280 -0.734 1
1 881 . 8 1 1 A 72 72 THR CA C 72 67.395 66.531 0.864 1
1 882 . 8 1 1 A 72 72 THR CB C 72 68.145 68.687 -0.542 1
1 884 . 8 1 1 A 72 72 THR N N 72 115.641 116.765 -1.124 1
1 885 . 8 1 1 A 73 73 SER H H 73 8.265 8.247 0.018 1
1 886 . 8 1 1 A 73 73 SER HA H 73 4.029 4.086 -0.057 1
1 889 . 8 1 1 A 73 73 SER C C 73 176.825 177.361 -0.536 1
1 890 . 8 1 1 A 73 73 SER CA C 73 61.746 61.434 0.312 1
1 891 . 8 1 1 A 73 73 SER CB C 73 62.746 62.962 -0.216 1
1 892 . 8 1 1 A 73 73 SER N N 73 115.814 115.173 0.641 1
1 893 . 8 1 1 A 74 74 GLN H H 74 8.119 7.915 0.204 1
1 894 . 8 1 1 A 74 74 GLN HA H 74 4.090 4.023 0.067 1
1 901 . 8 1 1 A 74 74 GLN C C 74 178.630 177.969 0.661 1
1 902 . 8 1 1 A 74 74 GLN CA C 74 58.903 58.423 0.480 1
1 903 . 8 1 1 A 74 74 GLN CB C 74 27.943 28.805 -0.862 1
1 905 . 8 1 1 A 74 74 GLN N N 74 121.446 120.473 0.973 1
1 907 . 8 1 1 A 75 75 ALA H H 75 8.210 7.858 0.352 1
1 908 . 8 1 1 A 75 75 ALA HA H 75 3.879 4.027 -0.148 1
1 912 . 8 1 1 A 75 75 ALA C C 75 178.843 179.692 -0.849 1
1 913 . 8 1 1 A 75 75 ALA CA C 75 54.959 55.160 -0.201 1
1 914 . 8 1 1 A 75 75 ALA CB C 75 20.226 18.590 1.636 1
1 915 . 8 1 1 A 75 75 ALA N N 75 121.007 121.782 -0.775 1
1 916 . 8 1 1 A 76 76 VAL H H 76 8.257 7.930 0.327 1
1 917 . 8 1 1 A 76 76 VAL HA H 76 3.472 3.436 0.036 1
1 925 . 8 1 1 A 76 76 VAL C C 76 177.639 177.923 -0.284 1
1 926 . 8 1 1 A 76 76 VAL CA C 76 67.080 66.951 0.129 1
1 927 . 8 1 1 A 76 76 VAL CB C 76 30.945 31.468 -0.523 1
1 930 . 8 1 1 A 76 76 VAL N N 76 116.281 118.554 -2.273 1
1 931 . 8 1 1 A 77 77 ASN H H 77 8.190 8.213 -0.023 1
1 932 . 8 1 1 A 77 77 ASN HA H 77 4.430 4.359 0.071 1
1 937 . 8 1 1 A 77 77 ASN C C 77 178.638 177.755 0.883 1
1 938 . 8 1 1 A 77 77 ASN CA C 77 56.666 56.778 -0.112 1
1 939 . 8 1 1 A 77 77 ASN CB C 77 37.950 39.819 -1.869 1
1 940 . 8 1 1 A 77 77 ASN N N 77 118.786 118.658 0.128 1
1 942 . 8 1 1 A 78 78 LEU H H 78 8.222 8.089 0.133 1
1 943 . 8 1 1 A 78 78 LEU HA H 78 4.045 4.059 -0.014 1
1 953 . 8 1 1 A 78 78 LEU C C 78 180.246 179.836 0.410 1
1 954 . 8 1 1 A 78 78 LEU CA C 78 57.926 57.987 -0.061 1
1 955 . 8 1 1 A 78 78 LEU CB C 78 41.892 41.397 0.495 1
1 959 . 8 1 1 A 78 78 LEU N N 78 121.759 119.956 1.803 1
1 960 . 8 1 1 A 79 79 LEU H H 79 7.887 7.948 -0.061 1
1 961 . 8 1 1 A 79 79 LEU HA H 79 4.051 3.888 0.163 1
1 971 . 8 1 1 A 79 79 LEU C C 79 179.804 179.292 0.512 1
1 972 . 8 1 1 A 79 79 LEU CA C 79 57.788 58.012 -0.224 1
1 973 . 8 1 1 A 79 79 LEU CB C 79 41.616 41.268 0.348 1
1 977 . 8 1 1 A 79 79 LEU N N 79 118.127 119.875 -1.748 1
1 978 . 8 1 1 A 80 80 ARG H H 80 8.942 8.324 0.618 1
1 979 . 8 1 1 A 80 80 ARG HA H 80 4.516 4.452 0.064 1
1 987 . 8 1 1 A 80 80 ARG C C 80 181.546 178.565 2.981 1
1 988 . 8 1 1 A 80 80 ARG CA C 80 60.006 58.583 1.423 1
1 989 . 8 1 1 A 80 80 ARG CB C 80 29.510 30.121 -0.611 1
1 992 . 8 1 1 A 80 80 ARG N N 80 120.974 118.822 2.152 1
1 994 . 8 1 1 A 81 81 SER H H 81 8.394 8.054 0.340 1
1 995 . 8 1 1 A 81 81 SER HA H 81 4.307 4.163 0.144 1
1 998 . 8 1 1 A 81 81 SER C C 81 174.601 177.283 -2.682 1
1 999 . 8 1 1 A 81 81 SER CA C 81 61.570 61.704 -0.134 1
1 1000 . 8 1 1 A 81 81 SER CB C 81 62.832 62.880 -0.048 1
1 1001 . 8 1 1 A 81 81 SER N N 81 116.329 115.314 1.015 1
1 1002 . 8 1 1 A 82 82 ALA H H 82 7.507 7.502 0.005 1
1 1003 . 8 1 1 A 82 82 ALA HA H 82 4.546 4.376 0.170 1
1 1007 . 8 1 1 A 82 82 ALA C C 82 176.449 177.780 -1.331 1
1 1008 . 8 1 1 A 82 82 ALA CA C 82 51.759 52.204 -0.445 1
1 1009 . 8 1 1 A 82 82 ALA CB C 82 18.850 19.398 -0.548 1
1 1010 . 8 1 1 A 82 82 ALA N N 82 122.576 119.539 3.037 1
1 1011 . 8 1 1 A 83 83 GLY H H 83 7.678 7.855 -0.177 1
1 1012 . 8 1 1 A 83 83 GLY HA2 H 83 3.623 3.937 -0.314 1
1 1013 . 8 1 1 A 83 83 GLY HA3 H 83 4.217 3.991 0.226 1
1 1014 . 8 1 1 A 83 83 GLY C C 83 174.557 174.748 -0.191 1
1 1015 . 8 1 1 A 83 83 GLY CA C 83 44.741 45.087 -0.346 1
1 1016 . 8 1 1 A 83 83 GLY N N 83 104.117 106.705 -2.588 1
1 1017 . 8 1 1 A 84 84 PHE H H 84 7.923 8.122 -0.199 1
1 1018 . 8 1 1 A 84 84 PHE HA H 84 4.254 4.413 -0.159 1
1 1026 . 8 1 1 A 84 84 PHE C C 84 176.479 175.991 0.488 1
1 1027 . 8 1 1 A 84 84 PHE CA C 84 60.127 59.355 0.772 1
1 1028 . 8 1 1 A 84 84 PHE CB C 84 36.999 38.727 -1.728 1
1 1034 . 8 1 1 A 84 84 PHE N N 84 119.861 120.044 -0.183 1
1 1035 . 8 1 1 A 85 85 GLU H H 85 7.730 9.231 -1.501 1
1 1036 . 8 1 1 A 85 85 GLU HA H 85 3.965 4.392 -0.427 1
1 1041 . 8 1 1 A 85 85 GLU C C 85 176.966 176.941 0.025 1
1 1042 . 8 1 1 A 85 85 GLU CA C 85 57.841 58.802 -0.961 1
1 1043 . 8 1 1 A 85 85 GLU CB C 85 32.054 30.831 1.223 1
1 1045 . 8 1 1 A 85 85 GLU N N 85 122.200 123.939 -1.739 1
1 1046 . 8 1 1 A 86 86 HIS H H 86 9.957 7.979 1.978 1
1 1047 . 8 1 1 A 86 86 HIS HA H 86 4.988 4.807 0.181 1
1 1052 . 8 1 1 A 86 86 HIS C C 86 171.400 174.219 -2.819 1
1 1053 . 8 1 1 A 86 86 HIS CA C 86 53.063 54.770 -1.707 1
1 1054 . 8 1 1 A 86 86 HIS CB C 86 29.823 28.014 1.809 1
1 1057 . 8 1 1 A 86 86 HIS N N 86 122.245 116.702 5.543 1
1 1060 . 8 1 1 A 87 87 VAL H H 87 8.233 8.814 -0.581 1
1 1061 . 8 1 1 A 87 87 VAL HA H 87 4.934 4.902 0.032 1
1 1069 . 8 1 1 A 87 87 VAL C C 87 175.510 174.071 1.439 1
1 1070 . 8 1 1 A 87 87 VAL CA C 87 59.972 60.886 -0.914 1
1 1071 . 8 1 1 A 87 87 VAL CB C 87 33.883 34.734 -0.851 1
1 1074 . 8 1 1 A 87 87 VAL N N 87 120.946 124.605 -3.659 1
1 1075 . 8 1 1 A 88 88 SER H H 88 8.968 8.932 0.036 1
1 1076 . 8 1 1 A 88 88 SER HA H 88 4.869 5.197 -0.328 1
1 1079 . 8 1 1 A 88 88 SER C C 88 174.093 172.932 1.161 1
1 1080 . 8 1 1 A 88 88 SER CA C 88 55.935 56.255 -0.320 1
1 1081 . 8 1 1 A 88 88 SER CB C 88 66.077 65.272 0.805 1
1 1082 . 8 1 1 A 88 88 SER N N 88 121.913 122.578 -0.665 1
1 1083 . 8 1 1 A 89 89 GLU H H 89 8.628 8.621 0.007 1
1 1084 . 8 1 1 A 89 89 GLU HA H 89 4.233 4.877 -0.644 1
1 1089 . 8 1 1 A 89 89 GLU C C 89 175.212 175.523 -0.311 1
1 1090 . 8 1 1 A 89 89 GLU CA C 89 55.728 55.828 -0.100 1
1 1091 . 8 1 1 A 89 89 GLU CB C 89 31.640 30.488 1.152 1
1 1093 . 8 1 1 A 89 89 GLU N N 89 125.288 123.265 2.023 1
1 1094 . 8 1 1 A 90 90 LEU H H 90 8.727 8.870 -0.143 1
1 1095 . 8 1 1 A 90 90 LEU HA H 90 4.829 5.099 -0.270 1
1 1105 . 8 1 1 A 90 90 LEU C C 90 175.893 176.516 -0.623 1
1 1106 . 8 1 1 A 90 90 LEU CA C 90 53.771 54.967 -1.196 1
1 1107 . 8 1 1 A 90 90 LEU CB C 90 41.511 43.259 -1.748 1
1 1111 . 8 1 1 A 90 90 LEU N N 90 125.766 126.894 -1.128 1
1 1112 . 8 1 1 A 91 91 LYS H H 91 8.715 9.142 -0.427 1
1 1113 . 8 1 1 A 91 91 LYS HA H 91 4.164 4.229 -0.065 1
1 1122 . 8 1 1 A 91 91 LYS C C 91 177.680 177.423 0.257 1
1 1123 . 8 1 1 A 91 91 LYS CA C 91 57.796 57.584 0.212 1
1 1124 . 8 1 1 A 91 91 LYS CB C 91 31.705 33.169 -1.464 1
1 1128 . 8 1 1 A 91 91 LYS N N 91 131.405 127.122 4.283 1
1 1129 . 8 1 1 A 92 92 GLY H H 92 9.408 8.496 0.912 1
1 1130 . 8 1 1 A 92 92 GLY HA2 H 92 3.828 3.984 -0.156 1
1 1131 . 8 1 1 A 92 92 GLY HA3 H 92 4.268 3.997 0.271 1
1 1132 . 8 1 1 A 92 92 GLY C C 92 175.634 174.051 1.583 1
1 1133 . 8 1 1 A 92 92 GLY CA C 92 46.001 45.444 0.557 1
1 1134 . 8 1 1 A 92 92 GLY N N 92 115.262 111.413 3.849 1
1 1135 . 8 1 1 A 93 93 GLY H H 93 7.616 8.555 -0.939 1
1 1136 . 8 1 1 A 93 93 GLY HA2 H 93 3.429 4.180 -0.751 1
1 1137 . 8 1 1 A 93 93 GLY HA3 H 93 4.276 4.229 0.047 1
1 1138 . 8 1 1 A 93 93 GLY C C 93 172.357 174.899 -2.542 1
1 1139 . 8 1 1 A 93 93 GLY CA C 93 46.436 44.700 1.736 1
1 1140 . 8 1 1 A 93 93 GLY N N 93 106.201 106.814 -0.613 1
1 1141 . 8 1 1 A 94 94 LEU H H 94 8.854 9.047 -0.193 1
1 1142 . 8 1 1 A 94 94 LEU HA H 94 3.643 4.176 -0.533 1
1 1152 . 8 1 1 A 94 94 LEU C C 94 178.092 178.665 -0.573 1
1 1153 . 8 1 1 A 94 94 LEU CA C 94 56.966 57.608 -0.642 1
1 1154 . 8 1 1 A 94 94 LEU CB C 94 41.937 41.798 0.139 1
1 1158 . 8 1 1 A 94 94 LEU N N 94 124.279 124.007 0.272 1
1 1159 . 8 1 1 A 95 95 ALA H H 95 8.683 8.284 0.399 1
1 1160 . 8 1 1 A 95 95 ALA HA H 95 4.061 4.048 0.013 1
1 1164 . 8 1 1 A 95 95 ALA C C 95 180.877 179.904 0.973 1
1 1165 . 8 1 1 A 95 95 ALA CA C 95 55.406 55.556 -0.150 1
1 1166 . 8 1 1 A 95 95 ALA CB C 95 18.053 17.824 0.229 1
1 1167 . 8 1 1 A 95 95 ALA N N 95 120.253 120.618 -0.365 1
1 1168 . 8 1 1 A 96 96 ALA H H 96 7.249 7.998 -0.749 1
1 1169 . 8 1 1 A 96 96 ALA HA H 96 4.132 4.091 0.041 1
1 1173 . 8 1 1 A 96 96 ALA C C 96 179.350 179.547 -0.197 1
1 1174 . 8 1 1 A 96 96 ALA CA C 96 54.429 54.987 -0.558 1
1 1175 . 8 1 1 A 96 96 ALA CB C 96 18.580 18.399 0.181 1
1 1176 . 8 1 1 A 96 96 ALA N N 96 121.080 120.411 0.669 1
1 1177 . 8 1 1 A 97 97 TRP H H 97 7.636 8.218 -0.582 1
1 1178 . 8 1 1 A 97 97 TRP HA H 97 4.051 4.139 -0.088 1
1 1187 . 8 1 1 A 97 97 TRP C C 97 178.223 178.284 -0.061 1
1 1188 . 8 1 1 A 97 97 TRP CA C 97 59.343 61.612 -2.269 1
1 1189 . 8 1 1 A 97 97 TRP CB C 97 29.734 29.912 -0.178 1
1 1195 . 8 1 1 A 97 97 TRP N N 97 119.015 121.019 -2.004 1
1 1197 . 8 1 1 A 98 98 LYS H H 98 8.764 8.532 0.232 1
1 1198 . 8 1 1 A 98 98 LYS HA H 98 3.886 4.105 -0.219 1
1 1207 . 8 1 1 A 98 98 LYS C C 98 180.503 179.163 1.340 1
1 1208 . 8 1 1 A 98 98 LYS CA C 98 59.365 59.323 0.042 1
1 1209 . 8 1 1 A 98 98 LYS CB C 98 31.899 32.052 -0.153 1
1 1213 . 8 1 1 A 98 98 LYS N N 98 117.855 118.733 -0.878 1
1 1214 . 8 1 1 A 99 99 ALA H H 99 7.802 8.135 -0.333 1
1 1215 . 8 1 1 A 99 99 ALA HA H 99 4.139 4.123 0.016 1
1 1219 . 8 1 1 A 99 99 ALA C C 99 179.188 179.121 0.067 1
1 1220 . 8 1 1 A 99 99 ALA CA C 99 54.521 54.774 -0.253 1
1 1221 . 8 1 1 A 99 99 ALA CB C 99 18.016 18.314 -0.298 1
1 1222 . 8 1 1 A 99 99 ALA N N 99 121.263 121.072 0.191 1
1 1223 . 8 1 1 A 100 100 ILE H H 100 6.803 7.620 -0.817 1
1 1224 . 8 1 1 A 100 100 ILE HA H 100 4.509 4.093 0.416 1
1 1234 . 8 1 1 A 100 100 ILE C C 100 175.810 176.588 -0.778 1
1 1235 . 8 1 1 A 100 100 ILE CA C 100 59.964 60.656 -0.692 1
1 1236 . 8 1 1 A 100 100 ILE CB C 100 37.866 37.272 0.594 1
1 1240 . 8 1 1 A 100 100 ILE N N 100 107.978 111.033 -3.055 1
1 1241 . 8 1 1 A 101 101 GLY H H 101 7.741 7.667 0.074 1
1 1242 . 8 1 1 A 101 101 GLY HA2 H 101 3.618 3.885 -0.267 1
1 1243 . 8 1 1 A 101 101 GLY HA3 H 101 3.866 3.888 -0.022 1
1 1244 . 8 1 1 A 101 101 GLY C C 101 175.319 175.010 0.309 1
1 1245 . 8 1 1 A 101 101 GLY CA C 101 45.444 46.773 -1.329 1
1 1246 . 8 1 1 A 101 101 GLY N N 101 109.732 111.665 -1.933 1
1 1247 . 8 1 1 A 102 102 GLY H H 102 7.823 7.910 -0.087 1
1 1248 . 8 1 1 A 102 102 GLY HA2 H 102 2.942 3.234 -0.292 1
1 1249 . 8 1 1 A 102 102 GLY HA3 H 102 2.942 3.785 -0.843 1
1 1250 . 8 1 1 A 102 102 GLY C C 102 171.578 172.946 -1.368 1
1 1251 . 8 1 1 A 102 102 GLY CA C 102 41.964 43.827 -1.863 1
1 1252 . 8 1 1 A 102 102 GLY N N 102 108.608 107.197 1.411 1
1 1253 . 8 1 1 A 103 103 PRO HA H 103 4.643 4.670 -0.027 1
1 1260 . 8 1 1 A 103 103 PRO C C 103 178.778 176.681 2.097 1
1 1261 . 8 1 1 A 103 103 PRO CA C 103 62.843 63.264 -0.421 1
1 1262 . 8 1 1 A 103 103 PRO CB C 103 32.263 31.866 0.397 1
1 1265 . 8 1 1 A 104 104 THR H H 104 8.760 8.469 0.291 1
1 1266 . 8 1 1 A 104 104 THR HA H 104 5.017 5.183 -0.166 1
1 1271 . 8 1 1 A 104 104 THR C C 104 172.498 173.039 -0.541 1
1 1272 . 8 1 1 A 104 104 THR CA C 104 59.729 59.624 0.105 1
1 1273 . 8 1 1 A 104 104 THR CB C 104 72.479 71.945 0.534 1
1 1275 . 8 1 1 A 104 104 THR N N 104 116.086 112.477 3.609 1
1 1276 . 8 1 1 A 105 105 GLU H H 105 8.267 8.890 -0.623 1
1 1277 . 8 1 1 A 105 105 GLU HA H 105 4.499 4.775 -0.276 1
1 1282 . 8 1 1 A 105 105 GLU C C 105 173.848 174.789 -0.941 1
1 1283 . 8 1 1 A 105 105 GLU CA C 105 54.647 54.861 -0.214 1
1 1284 . 8 1 1 A 105 105 GLU CB C 105 34.227 33.483 0.744 1
1 1286 . 8 1 1 A 105 105 GLU N N 105 117.663 119.800 -2.137 1
1 1287 . 8 1 1 A 106 106 GLY H H 106 8.207 8.394 -0.187 1
1 1288 . 8 1 1 A 106 106 GLY HA2 H 106 3.873 4.140 -0.267 1
1 1289 . 8 1 1 A 106 106 GLY HA3 H 106 3.873 4.192 -0.319 1
1 1290 . 8 1 1 A 106 106 GLY C C 106 173.052 174.816 -1.764 1
1 1291 . 8 1 1 A 106 106 GLY CA C 106 44.313 44.393 -0.080 1
1 1292 . 8 1 1 A 106 106 GLY N N 106 108.896 108.387 0.509 1
1 1293 . 8 1 1 A 107 107 ILE H H 107 8.333 9.385 -1.052 1
1 1294 . 8 1 1 A 107 107 ILE HA H 107 4.110 3.761 0.349 1
1 1304 . 8 1 1 A 107 107 ILE C C 107 176.773 177.567 -0.794 1
1 1305 . 8 1 1 A 107 107 ILE CA C 107 62.404 64.278 -1.874 1
1 1306 . 8 1 1 A 107 107 ILE CB C 107 38.826 37.757 1.069 1
1 1310 . 8 1 1 A 107 107 ILE N N 107 119.410 120.241 -0.831 1
1 1311 . 8 1 1 A 108 108 ILE H H 108 8.369 7.865 0.504 1
1 1312 . 8 1 1 A 108 108 ILE HA H 108 4.167 3.687 0.480 1
1 1322 . 8 1 1 A 108 108 ILE C C 108 176.821 178.365 -1.544 1
1 1323 . 8 1 1 A 108 108 ILE CA C 108 61.060 64.990 -3.930 1
1 1324 . 8 1 1 A 108 108 ILE CB C 108 37.984 37.300 0.684 1
1 1328 . 8 1 1 A 108 108 ILE N N 108 122.390 120.459 1.931 1
1 1329 . 8 1 1 A 109 109 GLU H H 109 8.127 7.698 0.429 1
1 1330 . 8 1 1 A 109 109 GLU HA H 109 4.218 4.231 -0.013 1
1 1335 . 8 1 1 A 109 109 GLU C C 109 176.438 176.944 -0.506 1
1 1336 . 8 1 1 A 109 109 GLU CA C 109 56.548 58.539 -1.991 1
1 1337 . 8 1 1 A 109 109 GLU CB C 109 30.178 29.265 0.913 1
1 1339 . 8 1 1 A 109 109 GLU N N 109 123.739 120.771 2.968 1
1 1340 . 8 1 1 A 110 110 SER H H 110 8.291 7.938 0.353 1
1 1341 . 8 1 1 A 110 110 SER HA H 110 4.446 4.580 -0.134 1
1 1344 . 8 1 1 A 110 110 SER C C 110 174.330 173.583 0.747 1
1 1345 . 8 1 1 A 110 110 SER CA C 110 58.252 57.497 0.755 1
1 1346 . 8 1 1 A 110 110 SER CB C 110 63.598 63.892 -0.294 1
1 1347 . 8 1 1 A 110 110 SER N N 110 116.242 115.266 0.976 1
1 1348 . 8 1 1 A 111 111 ARG H H 111 8.238 7.674 0.564 1
1 1349 . 8 1 1 A 111 111 ARG HA H 111 4.426 4.936 -0.510 1
1 1357 . 8 1 1 A 111 111 ARG C C 111 176.113 175.275 0.838 1
1 1358 . 8 1 1 A 111 111 ARG CA C 111 55.848 54.532 1.316 1
1 1359 . 8 1 1 A 111 111 ARG CB C 111 30.755 33.638 -2.883 1
1 1362 . 8 1 1 A 111 111 ARG N N 111 122.827 120.715 2.112 1
1 1364 . 8 1 1 A 112 112 THR H H 112 8.229 8.859 -0.630 1
1 1365 . 8 1 1 A 112 112 THR HA H 112 4.573 5.075 -0.502 1
1 1370 . 8 1 1 A 112 112 THR C C 112 172.790 171.696 1.094 1
1 1371 . 8 1 1 A 112 112 THR CA C 112 59.716 58.206 1.510 1
1 1372 . 8 1 1 A 112 112 THR CB C 112 69.503 70.545 -1.042 1
1 1374 . 8 1 1 A 112 112 THR N N 112 117.863 113.623 4.240 1
1 1375 . 8 1 1 A 113 113 PRO HA H 113 4.388 4.833 -0.445 1
1 1382 . 8 1 1 A 113 113 PRO C C 113 176.605 175.757 0.848 1
1 1383 . 8 1 1 A 113 113 PRO CA C 113 63.131 62.435 0.696 1
1 1384 . 8 1 1 A 113 113 PRO CB C 113 31.931 30.673 1.258 1
1 1387 . 8 1 1 A 114 114 ALA H H 114 8.422 8.434 -0.012 1
1 1388 . 8 1 1 A 114 114 ALA HA H 114 4.284 5.066 -0.782 1
1 1392 . 8 1 1 A 114 114 ALA C C 114 178.251 176.202 2.049 1
1 1393 . 8 1 1 A 114 114 ALA CA C 114 52.518 51.368 1.150 1
1 1394 . 8 1 1 A 114 114 ALA CB C 114 19.131 23.186 -4.055 1
1 1395 . 8 1 1 A 114 114 ALA N N 114 124.466 126.476 -2.010 1
1 1396 . 8 1 1 A 115 115 GLY H H 115 8.380 8.548 -0.168 1
1 1397 . 8 1 1 A 115 115 GLY HA2 H 115 3.956 4.183 -0.227 1
1 1398 . 8 1 1 A 115 115 GLY HA3 H 115 3.934 4.183 -0.249 1
1 1399 . 8 1 1 A 115 115 GLY C C 115 174.020 172.583 1.437 1
1 1400 . 8 1 1 A 115 115 GLY CA C 115 45.095 44.817 0.278 1
1 1401 . 8 1 1 A 115 115 GLY N N 115 108.587 106.792 1.795 1
1 1402 . 8 1 1 A 116 116 ALA H H 116 8.127 8.708 -0.581 1
1 1403 . 8 1 1 A 116 116 ALA HA H 116 4.292 5.164 -0.872 1
1 1407 . 8 1 1 A 116 116 ALA C C 116 177.565 175.244 2.321 1
1 1408 . 8 1 1 A 116 116 ALA CA C 116 52.504 51.290 1.214 1
1 1409 . 8 1 1 A 116 116 ALA CB C 116 19.187 23.466 -4.279 1
1 1410 . 8 1 1 A 116 116 ALA N N 116 123.523 126.647 -3.124 1
1 1411 . 8 1 1 A 117 117 ASP H H 117 8.316 8.885 -0.569 1
1 1412 . 8 1 1 A 117 117 ASP HA H 117 4.555 5.355 -0.800 1
1 1415 . 8 1 1 A 117 117 ASP C C 117 175.899 173.813 2.086 1
1 1416 . 8 1 1 A 117 117 ASP CA C 117 54.254 53.529 0.725 1
1 1417 . 8 1 1 A 117 117 ASP CB C 117 40.962 44.906 -3.944 1
1 1418 . 8 1 1 A 117 117 ASP N N 117 118.783 119.471 -0.688 1
1 1419 . 8 1 1 A 118 118 ASP H H 118 8.083 8.808 -0.725 1
1 1420 . 8 1 1 A 118 118 ASP HA H 118 4.529 5.029 -0.500 1
1 1423 . 8 1 1 A 118 118 ASP C C 118 176.278 175.001 1.277 1
1 1424 . 8 1 1 A 118 118 ASP CA C 118 54.202 53.140 1.062 1
1 1425 . 8 1 1 A 118 118 ASP CB C 118 40.933 43.627 -2.694 1
1 1426 . 8 1 1 A 118 118 ASP N N 118 119.935 119.845 0.090 1
1 1427 . 8 1 1 A 119 119 TYR H H 119 8.107 8.987 -0.880 1
1 1428 . 8 1 1 A 119 119 TYR HA H 119 4.450 4.224 0.226 1
1 1435 . 8 1 1 A 119 119 TYR C C 119 175.825 176.085 -0.260 1
1 1436 . 8 1 1 A 119 119 TYR CA C 119 58.350 58.629 -0.279 1
1 1437 . 8 1 1 A 119 119 TYR CB C 119 38.260 36.800 1.460 1
1 1442 . 8 1 1 A 119 119 TYR N N 119 120.415 119.817 0.598 1
1 1443 . 8 1 1 A 120 120 ASN H H 120 8.276 7.947 0.329 1
1 1444 . 8 1 1 A 120 120 ASN HA H 120 4.615 4.492 0.123 1
1 1449 . 8 1 1 A 120 120 ASN C C 120 175.102 175.061 0.041 1
1 1450 . 8 1 1 A 120 120 ASN CA C 120 53.396 55.675 -2.279 1
1 1451 . 8 1 1 A 120 120 ASN CB C 120 38.712 38.443 0.269 1
1 1452 . 8 1 1 A 120 120 ASN N N 120 119.834 119.336 0.498 1
1 1454 . 8 1 1 A 121 121 VAL H H 121 7.897 7.351 0.546 1
1 1455 . 8 1 1 A 121 121 VAL HA H 121 4.009 3.950 0.059 1
1 1463 . 8 1 1 A 121 121 VAL C C 121 176.484 175.063 1.421 1
1 1464 . 8 1 1 A 121 121 VAL CA C 121 62.950 62.033 0.917 1
1 1465 . 8 1 1 A 121 121 VAL CB C 121 32.326 32.301 0.025 1
1 1468 . 8 1 1 A 121 121 VAL N N 121 120.109 115.583 4.526 1
1 1469 . 8 1 1 A 122 122 VAL H H 122 8.091 8.431 -0.340 1
1 1470 . 8 1 1 A 122 122 VAL HA H 122 4.014 4.910 -0.896 1
1 1478 . 8 1 1 A 122 122 VAL C C 122 176.568 173.652 2.916 1
1 1479 . 8 1 1 A 122 122 VAL CA C 122 62.924 59.505 3.419 1
1 1480 . 8 1 1 A 122 122 VAL CB C 122 32.279 34.803 -2.524 1
1 1483 . 8 1 1 A 122 122 VAL N N 122 122.407 124.345 -1.938 1
1 1484 . 8 1 1 A 123 123 SER H H 123 8.228 8.840 -0.612 1
1 1485 . 8 1 1 A 123 123 SER HA H 123 4.385 4.997 -0.612 1
1 1488 . 8 1 1 A 123 123 SER C C 123 174.863 173.240 1.623 1
1 1489 . 8 1 1 A 123 123 SER CA C 123 58.525 56.798 1.727 1
1 1490 . 8 1 1 A 123 123 SER CB C 123 63.450 64.509 -1.059 1
1 1491 . 8 1 1 A 123 123 SER N N 123 118.095 123.380 -5.285 1
1 1492 . 8 1 1 A 124 124 ARG H H 124 8.208 8.923 -0.715 1
1 1493 . 8 1 1 A 124 124 ARG HA H 124 4.297 5.169 -0.872 1
1 1500 . 8 1 1 A 124 124 ARG C C 124 176.328 174.921 1.407 1
1 1501 . 8 1 1 A 124 124 ARG CA C 124 56.408 54.555 1.853 1
1 1502 . 8 1 1 A 124 124 ARG CB C 124 30.480 33.936 -3.456 1
1 1505 . 8 1 1 A 124 124 ARG N N 124 122.632 127.142 -4.510 1
1 1506 . 8 1 1 A 125 125 LEU H H 125 8.081 8.670 -0.589 1
1 1507 . 8 1 1 A 125 125 LEU HA H 125 4.262 4.956 -0.694 1
1 1517 . 8 1 1 A 125 125 LEU C C 125 177.375 174.820 2.555 1
1 1518 . 8 1 1 A 125 125 LEU CA C 125 55.282 54.271 1.011 1
1 1519 . 8 1 1 A 125 125 LEU CB C 125 42.042 43.834 -1.792 1
1 1523 . 8 1 1 A 125 125 LEU N N 125 121.964 124.885 -2.921 1
1 1524 . 8 1 1 A 126 126 GLU H H 126 8.232 8.562 -0.330 1
1 1525 . 8 1 1 A 126 126 GLU HA H 126 4.179 4.770 -0.591 1
1 1530 . 8 1 1 A 126 126 GLU C C 126 176.238 174.373 1.865 1
1 1531 . 8 1 1 A 126 126 GLU CA C 126 56.451 56.716 -0.265 1
1 1532 . 8 1 1 A 126 126 GLU CB C 126 30.131 31.704 -1.573 1
1 14 . 9 1 1 A 2 2 GLU H H 2 8.824 8.927 -0.103 1
1 15 . 9 1 1 A 2 2 GLU HA H 2 4.687 4.536 0.151 1
1 20 . 9 1 1 A 2 2 GLU C C 2 175.506 176.446 -0.940 1
1 21 . 9 1 1 A 2 2 GLU CA C 2 54.603 54.664 -0.061 1
1 22 . 9 1 1 A 2 2 GLU CB C 2 29.310 29.131 0.179 1
1 24 . 9 1 1 A 2 2 GLU N N 2 125.698 123.323 2.375 1
1 25 . 9 1 1 A 3 3 PRO HA H 3 4.398 4.451 -0.053 1
1 32 . 9 1 1 A 3 3 PRO C C 3 176.267 176.022 0.245 1
1 33 . 9 1 1 A 3 3 PRO CA C 3 64.781 64.807 -0.026 1
1 34 . 9 1 1 A 3 3 PRO CB C 3 31.918 32.051 -0.133 1
1 37 . 9 1 1 A 4 4 GLN H H 4 7.738 7.335 0.403 1
1 38 . 9 1 1 A 4 4 GLN HA H 4 4.908 4.906 0.002 1
1 45 . 9 1 1 A 4 4 GLN C C 4 175.006 173.946 1.060 1
1 46 . 9 1 1 A 4 4 GLN CA C 4 54.697 54.296 0.401 1
1 47 . 9 1 1 A 4 4 GLN CB C 4 31.196 31.322 -0.126 1
1 49 . 9 1 1 A 4 4 GLN N N 4 114.971 112.281 2.690 1
1 51 . 9 1 1 A 5 5 SER H H 5 9.180 8.950 0.230 1
1 52 . 9 1 1 A 5 5 SER HA H 5 4.825 5.020 -0.195 1
1 55 . 9 1 1 A 5 5 SER C C 5 172.669 173.238 -0.569 1
1 56 . 9 1 1 A 5 5 SER CA C 5 58.100 58.446 -0.346 1
1 57 . 9 1 1 A 5 5 SER CB C 5 65.536 64.198 1.338 1
1 58 . 9 1 1 A 5 5 SER N N 5 117.801 120.886 -3.085 1
1 59 . 9 1 1 A 6 6 ASP H H 6 8.386 8.607 -0.221 1
1 60 . 9 1 1 A 6 6 ASP HA H 6 4.841 4.599 0.242 1
1 63 . 9 1 1 A 6 6 ASP C C 6 177.071 177.555 -0.484 1
1 64 . 9 1 1 A 6 6 ASP CA C 6 53.810 54.576 -0.766 1
1 65 . 9 1 1 A 6 6 ASP CB C 6 42.427 42.874 -0.447 1
1 66 . 9 1 1 A 6 6 ASP N N 6 123.042 125.106 -2.064 1
1 67 . 9 1 1 A 7 7 ALA H H 7 9.312 8.624 0.688 1
1 68 . 9 1 1 A 7 7 ALA HA H 7 4.036 4.088 -0.052 1
1 72 . 9 1 1 A 7 7 ALA C C 7 178.859 179.699 -0.840 1
1 73 . 9 1 1 A 7 7 ALA CA C 7 55.703 55.504 0.199 1
1 74 . 9 1 1 A 7 7 ALA CB C 7 17.952 18.322 -0.370 1
1 75 . 9 1 1 A 7 7 ALA N N 7 123.976 128.632 -4.656 1
1 76 . 9 1 1 A 8 8 HIS H H 8 8.537 7.934 0.603 1
1 77 . 9 1 1 A 8 8 HIS HA H 8 3.950 4.168 -0.218 1
1 82 . 9 1 1 A 8 8 HIS C C 8 178.023 177.080 0.943 1
1 83 . 9 1 1 A 8 8 HIS CA C 8 59.778 59.724 0.054 1
1 84 . 9 1 1 A 8 8 HIS CB C 8 29.039 29.699 -0.660 1
1 87 . 9 1 1 A 8 8 HIS N N 8 114.303 118.106 -3.803 1
1 90 . 9 1 1 A 9 9 VAL H H 9 7.567 7.884 -0.317 1
1 91 . 9 1 1 A 9 9 VAL HA H 9 3.709 3.325 0.384 1
1 99 . 9 1 1 A 9 9 VAL C C 9 178.518 178.053 0.465 1
1 100 . 9 1 1 A 9 9 VAL CA C 9 65.508 66.400 -0.892 1
1 101 . 9 1 1 A 9 9 VAL CB C 9 31.604 31.634 -0.030 1
1 104 . 9 1 1 A 9 9 VAL N N 9 121.235 119.318 1.917 1
1 105 . 9 1 1 A 10 10 LEU H H 10 7.219 8.234 -1.015 1
1 106 . 9 1 1 A 10 10 LEU HA H 10 3.716 3.725 -0.009 1
1 116 . 9 1 1 A 10 10 LEU C C 10 177.133 178.148 -1.015 1
1 117 . 9 1 1 A 10 10 LEU CA C 10 57.133 58.451 -1.318 1
1 118 . 9 1 1 A 10 10 LEU CB C 10 40.756 41.167 -0.411 1
1 122 . 9 1 1 A 10 10 LEU N N 10 120.890 121.392 -0.502 1
1 123 . 9 1 1 A 11 11 LYS H H 11 8.568 8.159 0.409 1
1 124 . 9 1 1 A 11 11 LYS HA H 11 3.943 3.986 -0.043 1
1 133 . 9 1 1 A 11 11 LYS C C 11 178.143 179.283 -1.140 1
1 134 . 9 1 1 A 11 11 LYS CA C 11 60.388 59.449 0.939 1
1 135 . 9 1 1 A 11 11 LYS CB C 11 32.354 31.752 0.602 1
1 139 . 9 1 1 A 11 11 LYS N N 11 120.361 119.743 0.618 1
1 140 . 9 1 1 A 12 12 SER H H 12 7.865 7.959 -0.094 1
1 141 . 9 1 1 A 12 12 SER HA H 12 4.225 4.356 -0.131 1
1 144 . 9 1 1 A 12 12 SER C C 12 175.839 177.164 -1.325 1
1 145 . 9 1 1 A 12 12 SER CA C 12 61.626 61.358 0.268 1
1 146 . 9 1 1 A 12 12 SER CB C 12 62.749 62.195 0.554 1
1 147 . 9 1 1 A 12 12 SER N N 12 113.173 115.737 -2.564 1
1 148 . 9 1 1 A 13 13 ARG H H 13 7.701 7.296 0.405 1
1 149 . 9 1 1 A 13 13 ARG HA H 13 3.827 4.291 -0.464 1
1 157 . 9 1 1 A 13 13 ARG C C 13 178.606 179.109 -0.503 1
1 158 . 9 1 1 A 13 13 ARG CA C 13 58.926 58.622 0.304 1
1 159 . 9 1 1 A 13 13 ARG CB C 13 29.616 29.908 -0.292 1
1 162 . 9 1 1 A 13 13 ARG N N 13 122.104 122.376 -0.272 1
1 164 . 9 1 1 A 14 14 LEU H H 14 8.308 8.237 0.071 1
1 165 . 9 1 1 A 14 14 LEU HA H 14 4.219 4.421 -0.202 1
1 175 . 9 1 1 A 14 14 LEU C C 14 178.590 178.802 -0.212 1
1 176 . 9 1 1 A 14 14 LEU CA C 14 57.904 58.054 -0.150 1
1 177 . 9 1 1 A 14 14 LEU CB C 14 42.627 41.837 0.790 1
1 181 . 9 1 1 A 14 14 LEU N N 14 119.549 122.334 -2.785 1
1 182 . 9 1 1 A 15 15 GLU H H 15 7.824 8.221 -0.397 1
1 183 . 9 1 1 A 15 15 GLU HA H 15 3.998 4.052 -0.054 1
1 188 . 9 1 1 A 15 15 GLU C C 15 177.805 178.381 -0.576 1
1 189 . 9 1 1 A 15 15 GLU CA C 15 58.219 58.935 -0.716 1
1 190 . 9 1 1 A 15 15 GLU CB C 15 29.865 30.274 -0.409 1
1 192 . 9 1 1 A 15 15 GLU N N 15 116.921 118.240 -1.319 1
1 193 . 9 1 1 A 16 16 TRP H H 16 7.905 8.344 -0.439 1
1 194 . 9 1 1 A 16 16 TRP HA H 16 4.895 4.619 0.276 1
1 203 . 9 1 1 A 16 16 TRP C C 16 176.778 178.839 -2.061 1
1 204 . 9 1 1 A 16 16 TRP CA C 16 57.033 59.422 -2.389 1
1 205 . 9 1 1 A 16 16 TRP CB C 16 30.513 30.609 -0.096 1
1 211 . 9 1 1 A 16 16 TRP N N 16 116.589 120.112 -3.523 1
1 213 . 9 1 1 A 17 17 GLY H H 17 8.007 8.231 -0.224 1
1 214 . 9 1 1 A 17 17 GLY HA2 H 17 3.979 3.972 0.007 1
1 215 . 9 1 1 A 17 17 GLY HA3 H 17 4.200 4.017 0.183 1
1 216 . 9 1 1 A 17 17 GLY C C 17 173.650 174.391 -0.741 1
1 217 . 9 1 1 A 17 17 GLY CA C 17 44.786 44.795 -0.009 1
1 218 . 9 1 1 A 17 17 GLY N N 17 108.398 107.731 0.667 1
1 219 . 9 1 1 A 18 18 GLU H H 18 8.483 8.007 0.476 1
1 220 . 9 1 1 A 18 18 GLU HA H 18 4.534 4.615 -0.081 1
1 225 . 9 1 1 A 18 18 GLU C C 18 176.535 175.172 1.363 1
1 226 . 9 1 1 A 18 18 GLU CA C 18 54.615 54.782 -0.167 1
1 227 . 9 1 1 A 18 18 GLU CB C 18 29.654 32.207 -2.553 1
1 229 . 9 1 1 A 18 18 GLU N N 18 121.984 119.125 2.859 1
1 230 . 9 1 1 A 19 19 PRO HA H 19 4.549 3.814 0.735 1
1 237 . 9 1 1 A 19 19 PRO C C 19 176.737 176.728 0.009 1
1 238 . 9 1 1 A 19 19 PRO CA C 19 63.685 63.371 0.314 1
1 239 . 9 1 1 A 19 19 PRO CB C 19 30.940 31.564 -0.624 1
1 242 . 9 1 1 A 20 20 ALA H H 20 8.386 7.835 0.551 1
1 243 . 9 1 1 A 20 20 ALA HA H 20 4.536 4.190 0.346 1
1 247 . 9 1 1 A 20 20 ALA C C 20 174.844 176.943 -2.099 1
1 248 . 9 1 1 A 20 20 ALA CA C 20 51.312 53.075 -1.763 1
1 249 . 9 1 1 A 20 20 ALA CB C 20 17.883 19.148 -1.265 1
1 250 . 9 1 1 A 20 20 ALA N N 20 126.537 121.901 4.636 1
1 251 . 9 1 1 A 21 21 PHE H H 21 7.244 6.810 0.434 1
1 252 . 9 1 1 A 21 21 PHE HA H 21 5.485 5.342 0.143 1
1 260 . 9 1 1 A 21 21 PHE C C 21 173.639 174.127 -0.488 1
1 261 . 9 1 1 A 21 21 PHE CA C 21 55.312 55.303 0.009 1
1 262 . 9 1 1 A 21 21 PHE CB C 21 41.581 42.489 -0.908 1
1 268 . 9 1 1 A 21 21 PHE N N 21 115.447 114.240 1.207 1
1 269 . 9 1 1 A 22 22 THR H H 22 9.203 8.994 0.209 1
1 270 . 9 1 1 A 22 22 THR HA H 22 4.583 5.194 -0.611 1
1 275 . 9 1 1 A 22 22 THR C C 22 171.987 173.412 -1.425 1
1 276 . 9 1 1 A 22 22 THR CA C 22 62.368 61.618 0.750 1
1 277 . 9 1 1 A 22 22 THR CB C 22 72.961 70.810 2.151 1
1 279 . 9 1 1 A 22 22 THR N N 22 119.035 114.652 4.383 1
1 280 . 9 1 1 A 23 23 ILE H H 23 9.318 9.444 -0.126 1
1 281 . 9 1 1 A 23 23 ILE HA H 23 5.172 5.349 -0.177 1
1 291 . 9 1 1 A 23 23 ILE C C 23 173.969 175.495 -1.526 1
1 292 . 9 1 1 A 23 23 ILE CA C 23 59.958 59.931 0.027 1
1 293 . 9 1 1 A 23 23 ILE CB C 23 40.273 39.531 0.742 1
1 297 . 9 1 1 A 23 23 ILE N N 23 127.452 129.122 -1.670 1
1 298 . 9 1 1 A 24 24 LEU H H 24 9.522 9.464 0.058 1
1 299 . 9 1 1 A 24 24 LEU HA H 24 4.871 5.077 -0.206 1
1 309 . 9 1 1 A 24 24 LEU C C 24 172.823 175.026 -2.203 1
1 310 . 9 1 1 A 24 24 LEU CA C 24 53.100 53.202 -0.102 1
1 311 . 9 1 1 A 24 24 LEU CB C 24 44.522 43.930 0.592 1
1 315 . 9 1 1 A 24 24 LEU N N 24 127.148 127.824 -0.676 1
1 316 . 9 1 1 A 25 25 ASP H H 25 8.325 8.756 -0.431 1
1 317 . 9 1 1 A 25 25 ASP HA H 25 4.112 4.281 -0.169 1
1 320 . 9 1 1 A 25 25 ASP C C 25 177.457 176.788 0.669 1
1 321 . 9 1 1 A 25 25 ASP CA C 25 51.097 52.793 -1.696 1
1 322 . 9 1 1 A 25 25 ASP CB C 25 43.056 40.415 2.641 1
1 323 . 9 1 1 A 25 25 ASP N N 25 122.856 124.146 -1.290 1
1 324 . 9 1 1 A 26 26 VAL H H 26 7.924 7.878 0.046 1
1 325 . 9 1 1 A 26 26 VAL HA H 26 4.964 4.412 0.552 1
1 333 . 9 1 1 A 26 26 VAL C C 26 176.585 176.708 -0.123 1
1 334 . 9 1 1 A 26 26 VAL CA C 26 59.554 61.605 -2.051 1
1 335 . 9 1 1 A 26 26 VAL CB C 26 30.002 31.841 -1.839 1
1 338 . 9 1 1 A 26 26 VAL N N 26 117.391 120.251 -2.860 1
1 339 . 9 1 1 A 27 27 ARG H H 27 7.773 7.332 0.441 1
1 340 . 9 1 1 A 27 27 ARG HA H 27 4.418 4.105 0.313 1
1 352 . 9 1 1 A 27 27 ARG C C 27 173.931 175.921 -1.990 1
1 353 . 9 1 1 A 27 27 ARG CA C 27 55.487 58.084 -2.597 1
1 354 . 9 1 1 A 27 27 ARG CB C 27 30.337 30.851 -0.514 1
1 357 . 9 1 1 A 27 27 ARG N N 27 121.126 121.046 0.080 1
1 361 . 9 1 1 A 28 28 ASP H H 28 7.792 7.712 0.080 1
1 362 . 9 1 1 A 28 28 ASP HA H 28 4.431 4.760 -0.329 1
1 365 . 9 1 1 A 28 28 ASP C C 28 176.402 175.888 0.514 1
1 366 . 9 1 1 A 28 28 ASP CA C 28 54.427 53.728 0.699 1
1 367 . 9 1 1 A 28 28 ASP CB C 28 41.498 43.878 -2.380 1
1 368 . 9 1 1 A 28 28 ASP N N 28 115.368 114.493 0.875 1
1 369 . 9 1 1 A 29 29 ARG H H 29 8.781 8.717 0.064 1
1 370 . 9 1 1 A 29 29 ARG HA H 29 3.853 3.904 -0.051 1
1 378 . 9 1 1 A 29 29 ARG C C 29 177.811 177.738 0.073 1
1 379 . 9 1 1 A 29 29 ARG CA C 29 58.920 59.707 -0.787 1
1 380 . 9 1 1 A 29 29 ARG CB C 29 29.762 29.884 -0.122 1
1 383 . 9 1 1 A 29 29 ARG N N 29 121.538 125.574 -4.036 1
1 385 . 9 1 1 A 30 30 SER H H 30 8.478 8.415 0.063 1
1 386 . 9 1 1 A 30 30 SER HA H 30 4.190 4.220 -0.030 1
1 389 . 9 1 1 A 30 30 SER C C 30 176.814 177.234 -0.420 1
1 390 . 9 1 1 A 30 30 SER CA C 30 61.929 61.250 0.679 1
1 391 . 9 1 1 A 30 30 SER CB C 30 62.051 62.460 -0.409 1
1 392 . 9 1 1 A 30 30 SER N N 30 113.937 115.413 -1.476 1
1 393 . 9 1 1 A 31 31 THR H H 31 7.724 7.999 -0.275 1
1 394 . 9 1 1 A 31 31 THR HA H 31 4.096 3.922 0.174 1
1 399 . 9 1 1 A 31 31 THR C C 31 176.940 176.114 0.826 1
1 400 . 9 1 1 A 31 31 THR CA C 31 66.078 66.627 -0.549 1
1 401 . 9 1 1 A 31 31 THR CB C 31 67.583 68.338 -0.755 1
1 403 . 9 1 1 A 31 31 THR N N 31 120.025 117.745 2.280 1
1 404 . 9 1 1 A 32 32 TYR H H 32 8.186 8.582 -0.396 1
1 405 . 9 1 1 A 32 32 TYR HA H 32 4.009 4.084 -0.075 1
1 410 . 9 1 1 A 32 32 TYR C C 32 180.166 177.334 2.832 1
1 411 . 9 1 1 A 32 32 TYR CA C 32 61.797 62.321 -0.524 1
1 412 . 9 1 1 A 32 32 TYR CB C 32 37.300 38.599 -1.299 1
1 415 . 9 1 1 A 32 32 TYR N N 32 123.636 122.236 1.400 1
1 416 . 9 1 1 A 33 33 ASN H H 33 8.838 8.117 0.721 1
1 417 . 9 1 1 A 33 33 ASN HA H 33 4.435 4.385 0.050 1
1 422 . 9 1 1 A 33 33 ASN C C 33 176.730 177.424 -0.694 1
1 423 . 9 1 1 A 33 33 ASN CA C 33 55.167 56.342 -1.175 1
1 424 . 9 1 1 A 33 33 ASN CB C 33 37.308 37.850 -0.542 1
1 425 . 9 1 1 A 33 33 ASN N N 33 122.000 118.412 3.588 1
1 427 . 9 1 1 A 34 34 ASP H H 34 7.510 8.124 -0.614 1
1 428 . 9 1 1 A 34 34 ASP HA H 34 4.587 4.477 0.110 1
1 431 . 9 1 1 A 34 34 ASP C C 34 177.045 176.747 0.298 1
1 432 . 9 1 1 A 34 34 ASP CA C 34 56.487 56.427 0.060 1
1 433 . 9 1 1 A 34 34 ASP CB C 34 40.822 41.365 -0.543 1
1 434 . 9 1 1 A 34 34 ASP N N 34 119.832 118.619 1.213 1
1 435 . 9 1 1 A 35 35 GLY H H 35 7.412 7.365 0.047 1
1 436 . 9 1 1 A 35 35 GLY HA2 H 35 3.997 4.045 -0.048 1
1 437 . 9 1 1 A 35 35 GLY HA3 H 35 3.997 4.087 -0.090 1
1 438 . 9 1 1 A 35 35 GLY C C 35 171.246 171.651 -0.405 1
1 439 . 9 1 1 A 35 35 GLY CA C 35 46.441 45.891 0.550 1
1 440 . 9 1 1 A 35 35 GLY N N 35 106.611 105.030 1.581 1
1 441 . 9 1 1 A 36 36 HIS H H 36 8.441 9.191 -0.750 1
1 442 . 9 1 1 A 36 36 HIS HA H 36 4.782 5.474 -0.692 1
1 447 . 9 1 1 A 36 36 HIS C C 36 172.800 173.800 -1.000 1
1 448 . 9 1 1 A 36 36 HIS CA C 36 53.425 53.315 0.110 1
1 449 . 9 1 1 A 36 36 HIS CB C 36 31.978 32.334 -0.356 1
1 452 . 9 1 1 A 36 36 HIS N N 36 117.929 120.230 -2.301 1
1 455 . 9 1 1 A 37 37 ILE H H 37 8.087 8.701 -0.614 1
1 456 . 9 1 1 A 37 37 ILE HA H 37 3.223 3.607 -0.384 1
1 466 . 9 1 1 A 37 37 ILE C C 37 175.423 176.366 -0.943 1
1 467 . 9 1 1 A 37 37 ILE CA C 37 64.607 62.100 2.507 1
1 468 . 9 1 1 A 37 37 ILE CB C 37 37.269 37.537 -0.268 1
1 472 . 9 1 1 A 37 37 ILE N N 37 120.831 121.183 -0.352 1
1 473 . 9 1 1 A 38 38 MET H H 38 7.625 8.559 -0.934 1
1 474 . 9 1 1 A 38 38 MET HA H 38 3.953 4.396 -0.443 1
1 482 . 9 1 1 A 38 38 MET C C 38 174.632 177.139 -2.507 1
1 483 . 9 1 1 A 38 38 MET CA C 38 57.865 56.930 0.935 1
1 484 . 9 1 1 A 38 38 MET CB C 38 32.882 32.174 0.708 1
1 487 . 9 1 1 A 38 38 MET N N 38 128.683 126.347 2.336 1
1 488 . 9 1 1 A 39 39 GLY H H 39 8.795 8.906 -0.111 1
1 489 . 9 1 1 A 39 39 GLY HA2 H 39 3.727 3.961 -0.234 1
1 490 . 9 1 1 A 39 39 GLY HA3 H 39 4.345 3.983 0.362 1
1 491 . 9 1 1 A 39 39 GLY C C 39 175.442 174.457 0.985 1
1 492 . 9 1 1 A 39 39 GLY CA C 39 44.964 45.731 -0.767 1
1 493 . 9 1 1 A 39 39 GLY N N 39 113.814 114.274 -0.460 1
1 494 . 9 1 1 A 40 40 ALA H H 40 8.566 7.967 0.599 1
1 495 . 9 1 1 A 40 40 ALA HA H 40 4.656 4.703 -0.047 1
1 499 . 9 1 1 A 40 40 ALA C C 40 177.459 177.281 0.178 1
1 500 . 9 1 1 A 40 40 ALA CA C 40 52.139 51.622 0.517 1
1 501 . 9 1 1 A 40 40 ALA CB C 40 20.657 20.897 -0.240 1
1 502 . 9 1 1 A 40 40 ALA N N 40 122.444 123.660 -1.216 1
1 503 . 9 1 1 A 41 41 MET H H 41 9.268 8.853 0.415 1
1 504 . 9 1 1 A 41 41 MET HA H 41 4.478 4.873 -0.395 1
1 512 . 9 1 1 A 41 41 MET C C 41 174.328 175.425 -1.097 1
1 513 . 9 1 1 A 41 41 MET CA C 41 54.330 53.953 0.377 1
1 514 . 9 1 1 A 41 41 MET CB C 41 34.473 33.109 1.364 1
1 517 . 9 1 1 A 41 41 MET N N 41 123.908 119.987 3.921 1
1 518 . 9 1 1 A 42 42 ALA H H 42 8.162 8.193 -0.031 1
1 519 . 9 1 1 A 42 42 ALA HA H 42 3.870 3.437 0.433 1
1 523 . 9 1 1 A 42 42 ALA C C 42 177.157 176.074 1.083 1
1 524 . 9 1 1 A 42 42 ALA CA C 42 51.888 51.281 0.607 1
1 525 . 9 1 1 A 42 42 ALA CB C 42 16.282 17.062 -0.780 1
1 526 . 9 1 1 A 42 42 ALA N N 42 126.936 126.039 0.897 1
1 527 . 9 1 1 A 43 43 MET H H 43 8.109 8.164 -0.055 1
1 528 . 9 1 1 A 43 43 MET HA H 43 4.386 4.959 -0.573 1
1 536 . 9 1 1 A 43 43 MET C C 43 168.952 173.943 -4.991 1
1 537 . 9 1 1 A 43 43 MET CA C 43 53.535 52.553 0.982 1
1 538 . 9 1 1 A 43 43 MET CB C 43 34.346 33.228 1.118 1
1 541 . 9 1 1 A 43 43 MET N N 43 125.282 123.334 1.948 1
1 542 . 9 1 1 A 44 44 PRO HA H 44 3.949 4.598 -0.649 1
1 549 . 9 1 1 A 44 44 PRO C C 44 179.070 177.970 1.100 1
1 550 . 9 1 1 A 44 44 PRO CA C 44 62.524 62.712 -0.188 1
1 551 . 9 1 1 A 44 44 PRO CB C 44 32.611 32.592 0.019 1
1 554 . 9 1 1 A 45 45 ILE H H 45 7.764 8.555 -0.791 1
1 555 . 9 1 1 A 45 45 ILE HA H 45 3.851 3.923 -0.072 1
1 565 . 9 1 1 A 45 45 ILE C C 45 175.827 177.650 -1.823 1
1 566 . 9 1 1 A 45 45 ILE CA C 45 64.676 62.942 1.734 1
1 567 . 9 1 1 A 45 45 ILE CB C 45 38.991 38.030 0.961 1
1 571 . 9 1 1 A 45 45 ILE N N 45 121.655 124.830 -3.175 1
1 572 . 9 1 1 A 46 46 GLU H H 46 9.102 8.133 0.969 1
1 573 . 9 1 1 A 46 46 GLU HA H 46 4.056 4.104 -0.048 1
1 578 . 9 1 1 A 46 46 GLU C C 46 176.499 177.046 -0.547 1
1 579 . 9 1 1 A 46 46 GLU CA C 46 59.349 59.305 0.044 1
1 580 . 9 1 1 A 46 46 GLU CB C 46 28.456 29.626 -1.170 1
1 582 . 9 1 1 A 46 46 GLU N N 46 121.004 121.612 -0.608 1
1 583 . 9 1 1 A 47 47 ASP H H 47 7.729 7.774 -0.045 1
1 584 . 9 1 1 A 47 47 ASP HA H 47 5.059 4.811 0.248 1
1 587 . 9 1 1 A 47 47 ASP C C 47 175.683 176.918 -1.235 1
1 588 . 9 1 1 A 47 47 ASP CA C 47 53.266 53.481 -0.215 1
1 589 . 9 1 1 A 47 47 ASP CB C 47 42.048 41.422 0.626 1
1 590 . 9 1 1 A 47 47 ASP N N 47 117.171 119.564 -2.393 1
1 591 . 9 1 1 A 48 48 LEU H H 48 7.193 7.362 -0.169 1
1 592 . 9 1 1 A 48 48 LEU HA H 48 3.690 3.873 -0.183 1
1 602 . 9 1 1 A 48 48 LEU C C 48 176.829 178.404 -1.575 1
1 603 . 9 1 1 A 48 48 LEU CA C 48 58.905 58.670 0.235 1
1 604 . 9 1 1 A 48 48 LEU CB C 48 43.334 41.697 1.637 1
1 608 . 9 1 1 A 48 48 LEU N N 48 121.314 121.104 0.210 1
1 609 . 9 1 1 A 49 49 VAL H H 49 8.507 8.076 0.431 1
1 610 . 9 1 1 A 49 49 VAL HA H 49 3.290 3.575 -0.285 1
1 618 . 9 1 1 A 49 49 VAL C C 49 178.915 177.264 1.651 1
1 619 . 9 1 1 A 49 49 VAL CA C 49 67.886 66.782 1.104 1
1 620 . 9 1 1 A 49 49 VAL CB C 49 30.881 31.562 -0.681 1
1 623 . 9 1 1 A 49 49 VAL N N 49 116.698 119.450 -2.752 1
1 624 . 9 1 1 A 50 50 ASP H H 50 8.474 8.248 0.226 1
1 625 . 9 1 1 A 50 50 ASP HA H 50 4.396 4.370 0.026 1
1 628 . 9 1 1 A 50 50 ASP C C 50 178.890 179.088 -0.198 1
1 629 . 9 1 1 A 50 50 ASP CA C 50 57.477 57.394 0.083 1
1 630 . 9 1 1 A 50 50 ASP CB C 50 40.945 40.254 0.691 1
1 631 . 9 1 1 A 50 50 ASP N N 50 121.526 119.549 1.977 1
1 632 . 9 1 1 A 51 51 ARG H H 51 8.334 8.352 -0.018 1
1 633 . 9 1 1 A 51 51 ARG HA H 51 4.079 3.996 0.083 1
1 641 . 9 1 1 A 51 51 ARG C C 51 179.634 178.650 0.984 1
1 642 . 9 1 1 A 51 51 ARG CA C 51 58.378 59.512 -1.134 1
1 643 . 9 1 1 A 51 51 ARG CB C 51 29.692 30.193 -0.501 1
1 646 . 9 1 1 A 51 51 ARG N N 51 118.666 119.344 -0.678 1
1 648 . 9 1 1 A 52 52 ALA H H 52 9.250 8.201 1.049 1
1 649 . 9 1 1 A 52 52 ALA HA H 52 3.752 4.088 -0.336 1
1 653 . 9 1 1 A 52 52 ALA C C 52 179.710 180.148 -0.438 1
1 654 . 9 1 1 A 52 52 ALA CA C 52 55.830 55.225 0.605 1
1 655 . 9 1 1 A 52 52 ALA CB C 52 18.164 18.330 -0.166 1
1 656 . 9 1 1 A 52 52 ALA N N 52 124.004 121.976 2.028 1
1 657 . 9 1 1 A 53 53 SER H H 53 8.392 8.367 0.025 1
1 658 . 9 1 1 A 53 53 SER HA H 53 4.457 4.367 0.090 1
1 661 . 9 1 1 A 53 53 SER C C 53 175.807 176.403 -0.596 1
1 662 . 9 1 1 A 53 53 SER CA C 53 62.214 61.591 0.623 1
1 663 . 9 1 1 A 53 53 SER CB C 53 62.805 62.854 -0.049 1
1 664 . 9 1 1 A 53 53 SER N N 53 111.154 113.740 -2.586 1
1 665 . 9 1 1 A 54 54 SER H H 54 7.570 7.528 0.042 1
1 666 . 9 1 1 A 54 54 SER HA H 54 4.512 4.371 0.141 1
1 669 . 9 1 1 A 54 54 SER C C 54 175.210 175.247 -0.037 1
1 670 . 9 1 1 A 54 54 SER CA C 54 59.567 60.143 -0.576 1
1 671 . 9 1 1 A 54 54 SER CB C 54 63.902 63.295 0.607 1
1 672 . 9 1 1 A 54 54 SER N N 54 112.745 116.669 -3.924 1
1 673 . 9 1 1 A 55 55 SER H H 55 7.501 7.874 -0.373 1
1 674 . 9 1 1 A 55 55 SER HA H 55 4.744 4.718 0.026 1
1 677 . 9 1 1 A 55 55 SER C C 55 173.106 173.819 -0.713 1
1 678 . 9 1 1 A 55 55 SER CA C 55 59.905 58.498 1.407 1
1 679 . 9 1 1 A 55 55 SER CB C 55 65.881 65.147 0.734 1
1 680 . 9 1 1 A 55 55 SER N N 55 113.238 114.869 -1.631 1
1 681 . 9 1 1 A 56 56 LEU H H 56 8.320 8.022 0.298 1
1 682 . 9 1 1 A 56 56 LEU HA H 56 4.823 4.945 -0.122 1
1 692 . 9 1 1 A 56 56 LEU C C 56 175.441 174.982 0.459 1
1 693 . 9 1 1 A 56 56 LEU CA C 56 53.476 53.453 0.023 1
1 694 . 9 1 1 A 56 56 LEU CB C 56 44.655 46.375 -1.720 1
1 698 . 9 1 1 A 56 56 LEU N N 56 122.043 121.501 0.542 1
1 699 . 9 1 1 A 57 57 GLU H H 57 8.510 8.862 -0.352 1
1 700 . 9 1 1 A 57 57 GLU HA H 57 4.334 4.833 -0.499 1
1 705 . 9 1 1 A 57 57 GLU C C 57 177.869 177.108 0.761 1
1 706 . 9 1 1 A 57 57 GLU CA C 57 55.911 54.932 0.979 1
1 707 . 9 1 1 A 57 57 GLU CB C 57 30.193 32.464 -2.271 1
1 709 . 9 1 1 A 57 57 GLU N N 57 121.479 120.661 0.818 1
1 710 . 9 1 1 A 58 58 LYS H H 58 8.513 8.807 -0.294 1
1 711 . 9 1 1 A 58 58 LYS HA H 58 3.811 3.943 -0.132 1
1 720 . 9 1 1 A 58 58 LYS C C 58 178.345 177.680 0.665 1
1 721 . 9 1 1 A 58 58 LYS CA C 58 58.526 59.218 -0.692 1
1 722 . 9 1 1 A 58 58 LYS CB C 58 31.265 31.846 -0.581 1
1 726 . 9 1 1 A 58 58 LYS N N 58 120.689 125.883 -5.194 1
1 727 . 9 1 1 A 59 59 SER H H 59 7.912 7.657 0.255 1
1 728 . 9 1 1 A 59 59 SER HA H 59 4.437 3.920 0.517 1
1 731 . 9 1 1 A 59 59 SER C C 59 174.216 174.526 -0.310 1
1 732 . 9 1 1 A 59 59 SER CA C 59 57.862 58.539 -0.677 1
1 733 . 9 1 1 A 59 59 SER CB C 59 63.682 63.406 0.276 1
1 734 . 9 1 1 A 59 59 SER N N 59 111.530 111.845 -0.315 1
1 735 . 9 1 1 A 60 60 ARG H H 60 7.477 7.479 -0.002 1
1 736 . 9 1 1 A 60 60 ARG HA H 60 4.199 4.184 0.015 1
1 744 . 9 1 1 A 60 60 ARG C C 60 174.880 175.822 -0.942 1
1 745 . 9 1 1 A 60 60 ARG CA C 60 55.828 56.373 -0.545 1
1 746 . 9 1 1 A 60 60 ARG CB C 60 31.971 30.448 1.523 1
1 749 . 9 1 1 A 60 60 ARG N N 60 125.535 122.673 2.862 1
1 751 . 9 1 1 A 61 61 ASP H H 61 8.540 8.597 -0.057 1
1 752 . 9 1 1 A 61 61 ASP HA H 61 4.903 4.860 0.043 1
1 755 . 9 1 1 A 61 61 ASP C C 61 175.569 175.461 0.108 1
1 756 . 9 1 1 A 61 61 ASP CA C 61 55.438 54.275 1.163 1
1 757 . 9 1 1 A 61 61 ASP CB C 61 40.847 40.158 0.689 1
1 758 . 9 1 1 A 61 61 ASP N N 61 126.761 125.546 1.215 1
1 759 . 9 1 1 A 62 62 ILE H H 62 8.630 9.305 -0.675 1
1 760 . 9 1 1 A 62 62 ILE HA H 62 5.038 5.023 0.015 1
1 770 . 9 1 1 A 62 62 ILE C C 62 174.444 174.527 -0.083 1
1 771 . 9 1 1 A 62 62 ILE CA C 62 59.799 60.864 -1.065 1
1 772 . 9 1 1 A 62 62 ILE CB C 62 42.130 39.237 2.893 1
1 776 . 9 1 1 A 62 62 ILE N N 62 125.212 124.644 0.568 1
1 777 . 9 1 1 A 63 63 TYR H H 63 9.026 9.173 -0.147 1
1 778 . 9 1 1 A 63 63 TYR HA H 63 5.230 5.261 -0.031 1
1 785 . 9 1 1 A 63 63 TYR C C 63 175.088 174.461 0.627 1
1 786 . 9 1 1 A 63 63 TYR CA C 63 56.143 56.879 -0.736 1
1 787 . 9 1 1 A 63 63 TYR CB C 63 41.302 39.860 1.442 1
1 792 . 9 1 1 A 63 63 TYR N N 63 125.467 127.165 -1.698 1
1 793 . 9 1 1 A 64 64 VAL H H 64 8.523 8.938 -0.415 1
1 794 . 9 1 1 A 64 64 VAL HA H 64 5.106 4.765 0.341 1
1 802 . 9 1 1 A 64 64 VAL C C 64 174.072 175.155 -1.083 1
1 803 . 9 1 1 A 64 64 VAL CA C 64 60.302 61.677 -1.375 1
1 804 . 9 1 1 A 64 64 VAL CB C 64 35.121 33.160 1.961 1
1 807 . 9 1 1 A 64 64 VAL N N 64 121.014 123.694 -2.680 1
1 808 . 9 1 1 A 65 65 TYR H H 65 8.832 8.960 -0.128 1
1 809 . 9 1 1 A 65 65 TYR HA H 65 5.289 5.709 -0.420 1
1 816 . 9 1 1 A 65 65 TYR C C 65 172.116 173.818 -1.702 1
1 817 . 9 1 1 A 65 65 TYR CA C 65 56.777 55.170 1.607 1
1 818 . 9 1 1 A 65 65 TYR CB C 65 42.528 41.915 0.613 1
1 819 . 9 1 1 A 65 65 TYR N N 65 120.331 123.024 -2.693 1
1 820 . 9 1 1 A 66 66 GLY H H 66 8.278 9.199 -0.921 1
1 821 . 9 1 1 A 66 66 GLY HA2 H 66 3.449 4.045 -0.596 1
1 822 . 9 1 1 A 66 66 GLY HA3 H 66 4.408 4.148 0.260 1
1 823 . 9 1 1 A 66 66 GLY C C 66 173.636 174.797 -1.161 1
1 824 . 9 1 1 A 66 66 GLY CA C 66 43.793 43.760 0.033 1
1 825 . 9 1 1 A 66 66 GLY N N 66 108.458 109.292 -0.834 1
1 826 . 9 1 1 A 67 67 ALA H H 67 9.485 8.504 0.981 1
1 827 . 9 1 1 A 67 67 ALA HA H 67 4.331 4.186 0.145 1
1 831 . 9 1 1 A 67 67 ALA C C 67 176.363 177.157 -0.794 1
1 832 . 9 1 1 A 67 67 ALA CA C 67 52.848 53.736 -0.888 1
1 833 . 9 1 1 A 67 67 ALA CB C 67 18.178 19.384 -1.206 1
1 834 . 9 1 1 A 67 67 ALA N N 67 126.325 121.813 4.512 1
1 835 . 9 1 1 A 68 68 GLY H H 68 7.553 7.798 -0.245 1
1 836 . 9 1 1 A 68 68 GLY HA2 H 68 4.270 4.141 0.129 1
1 837 . 9 1 1 A 68 68 GLY HA3 H 68 4.209 4.152 0.057 1
1 838 . 9 1 1 A 68 68 GLY C C 68 173.695 174.671 -0.976 1
1 839 . 9 1 1 A 68 68 GLY CA C 68 44.112 44.356 -0.244 1
1 840 . 9 1 1 A 68 68 GLY N N 68 106.057 105.048 1.009 1
1 841 . 9 1 1 A 69 69 ASP H H 69 8.904 9.450 -0.546 1
1 842 . 9 1 1 A 69 69 ASP HA H 69 4.408 4.303 0.105 1
1 845 . 9 1 1 A 69 69 ASP C C 69 178.531 178.315 0.216 1
1 846 . 9 1 1 A 69 69 ASP CA C 69 57.592 57.318 0.274 1
1 847 . 9 1 1 A 69 69 ASP CB C 69 40.198 40.180 0.018 1
1 848 . 9 1 1 A 69 69 ASP N N 69 121.078 121.792 -0.714 1
1 849 . 9 1 1 A 70 70 GLU H H 70 8.905 8.430 0.475 1
1 850 . 9 1 1 A 70 70 GLU HA H 70 4.110 4.011 0.099 1
1 855 . 9 1 1 A 70 70 GLU C C 70 178.745 178.998 -0.253 1
1 856 . 9 1 1 A 70 70 GLU CA C 70 59.956 59.692 0.264 1
1 857 . 9 1 1 A 70 70 GLU CB C 70 28.534 29.169 -0.635 1
1 859 . 9 1 1 A 70 70 GLU N N 70 120.998 119.689 1.309 1
1 860 . 9 1 1 A 71 71 GLN H H 71 8.453 7.831 0.622 1
1 861 . 9 1 1 A 71 71 GLN HA H 71 4.106 4.050 0.056 1
1 868 . 9 1 1 A 71 71 GLN C C 71 178.164 178.513 -0.349 1
1 869 . 9 1 1 A 71 71 GLN CA C 71 59.350 58.594 0.756 1
1 870 . 9 1 1 A 71 71 GLN CB C 71 29.682 28.096 1.586 1
1 872 . 9 1 1 A 71 71 GLN N N 71 121.273 118.340 2.933 1
1 874 . 9 1 1 A 72 72 THR H H 72 8.267 7.880 0.387 1
1 875 . 9 1 1 A 72 72 THR HA H 72 3.524 3.884 -0.360 1
1 880 . 9 1 1 A 72 72 THR C C 72 175.546 175.895 -0.349 1
1 881 . 9 1 1 A 72 72 THR CA C 72 67.395 66.562 0.833 1
1 882 . 9 1 1 A 72 72 THR CB C 72 68.145 68.861 -0.716 1
1 884 . 9 1 1 A 72 72 THR N N 72 115.641 117.213 -1.572 1
1 885 . 9 1 1 A 73 73 SER H H 73 8.265 8.291 -0.026 1
1 886 . 9 1 1 A 73 73 SER HA H 73 4.029 4.051 -0.022 1
1 889 . 9 1 1 A 73 73 SER C C 73 176.825 177.396 -0.571 1
1 890 . 9 1 1 A 73 73 SER CA C 73 61.746 61.531 0.215 1
1 891 . 9 1 1 A 73 73 SER CB C 73 62.746 62.837 -0.091 1
1 892 . 9 1 1 A 73 73 SER N N 73 115.814 115.162 0.652 1
1 893 . 9 1 1 A 74 74 GLN H H 74 8.119 7.926 0.193 1
1 894 . 9 1 1 A 74 74 GLN HA H 74 4.090 4.033 0.057 1
1 901 . 9 1 1 A 74 74 GLN C C 74 178.630 177.864 0.766 1
1 902 . 9 1 1 A 74 74 GLN CA C 74 58.903 58.451 0.452 1
1 903 . 9 1 1 A 74 74 GLN CB C 74 27.943 28.844 -0.901 1
1 905 . 9 1 1 A 74 74 GLN N N 74 121.446 120.538 0.908 1
1 907 . 9 1 1 A 75 75 ALA H H 75 8.210 7.784 0.426 1
1 908 . 9 1 1 A 75 75 ALA HA H 75 3.879 4.041 -0.162 1
1 912 . 9 1 1 A 75 75 ALA C C 75 178.843 179.812 -0.969 1
1 913 . 9 1 1 A 75 75 ALA CA C 75 54.959 55.218 -0.259 1
1 914 . 9 1 1 A 75 75 ALA CB C 75 20.226 18.277 1.949 1
1 915 . 9 1 1 A 75 75 ALA N N 75 121.007 122.140 -1.133 1
1 916 . 9 1 1 A 76 76 VAL H H 76 8.257 8.262 -0.005 1
1 917 . 9 1 1 A 76 76 VAL HA H 76 3.472 3.481 -0.009 1
1 925 . 9 1 1 A 76 76 VAL C C 76 177.639 177.835 -0.196 1
1 926 . 9 1 1 A 76 76 VAL CA C 76 67.080 67.001 0.079 1
1 927 . 9 1 1 A 76 76 VAL CB C 76 30.945 31.581 -0.636 1
1 930 . 9 1 1 A 76 76 VAL N N 76 116.281 119.225 -2.944 1
1 931 . 9 1 1 A 77 77 ASN H H 77 8.190 8.191 -0.001 1
1 932 . 9 1 1 A 77 77 ASN HA H 77 4.430 4.389 0.041 1
1 937 . 9 1 1 A 77 77 ASN C C 77 178.638 177.923 0.715 1
1 938 . 9 1 1 A 77 77 ASN CA C 77 56.666 56.636 0.030 1
1 939 . 9 1 1 A 77 77 ASN CB C 77 37.950 39.376 -1.426 1
1 940 . 9 1 1 A 77 77 ASN N N 77 118.786 118.520 0.266 1
1 942 . 9 1 1 A 78 78 LEU H H 78 8.222 8.069 0.153 1
1 943 . 9 1 1 A 78 78 LEU HA H 78 4.045 4.015 0.030 1
1 953 . 9 1 1 A 78 78 LEU C C 78 180.246 179.952 0.294 1
1 954 . 9 1 1 A 78 78 LEU CA C 78 57.926 58.180 -0.254 1
1 955 . 9 1 1 A 78 78 LEU CB C 78 41.892 41.128 0.764 1
1 959 . 9 1 1 A 78 78 LEU N N 78 121.759 119.909 1.850 1
1 960 . 9 1 1 A 79 79 LEU H H 79 7.887 7.991 -0.104 1
1 961 . 9 1 1 A 79 79 LEU HA H 79 4.051 4.041 0.010 1
1 971 . 9 1 1 A 79 79 LEU C C 79 179.804 179.865 -0.061 1
1 972 . 9 1 1 A 79 79 LEU CA C 79 57.788 58.156 -0.368 1
1 973 . 9 1 1 A 79 79 LEU CB C 79 41.616 41.462 0.154 1
1 977 . 9 1 1 A 79 79 LEU N N 79 118.127 120.173 -2.046 1
1 978 . 9 1 1 A 80 80 ARG H H 80 8.942 8.101 0.841 1
1 979 . 9 1 1 A 80 80 ARG HA H 80 4.516 4.548 -0.032 1
1 987 . 9 1 1 A 80 80 ARG C C 80 181.546 178.522 3.024 1
1 988 . 9 1 1 A 80 80 ARG CA C 80 60.006 58.418 1.588 1
1 989 . 9 1 1 A 80 80 ARG CB C 80 29.510 29.609 -0.099 1
1 992 . 9 1 1 A 80 80 ARG N N 80 120.974 118.985 1.989 1
1 994 . 9 1 1 A 81 81 SER H H 81 8.394 8.291 0.103 1
1 995 . 9 1 1 A 81 81 SER HA H 81 4.307 4.159 0.148 1
1 998 . 9 1 1 A 81 81 SER C C 81 174.601 176.479 -1.878 1
1 999 . 9 1 1 A 81 81 SER CA C 81 61.570 61.521 0.049 1
1 1000 . 9 1 1 A 81 81 SER CB C 81 62.832 63.138 -0.306 1
1 1001 . 9 1 1 A 81 81 SER N N 81 116.329 115.624 0.705 1
1 1002 . 9 1 1 A 82 82 ALA H H 82 7.507 7.539 -0.032 1
1 1003 . 9 1 1 A 82 82 ALA HA H 82 4.546 4.363 0.183 1
1 1007 . 9 1 1 A 82 82 ALA C C 82 176.449 177.912 -1.463 1
1 1008 . 9 1 1 A 82 82 ALA CA C 82 51.759 52.034 -0.275 1
1 1009 . 9 1 1 A 82 82 ALA CB C 82 18.850 19.259 -0.409 1
1 1010 . 9 1 1 A 82 82 ALA N N 82 122.576 119.520 3.056 1
1 1011 . 9 1 1 A 83 83 GLY H H 83 7.678 8.196 -0.518 1
1 1012 . 9 1 1 A 83 83 GLY HA2 H 83 3.623 3.857 -0.234 1
1 1013 . 9 1 1 A 83 83 GLY HA3 H 83 4.217 3.963 0.254 1
1 1014 . 9 1 1 A 83 83 GLY C C 83 174.557 174.487 0.070 1
1 1015 . 9 1 1 A 83 83 GLY CA C 83 44.741 45.002 -0.261 1
1 1016 . 9 1 1 A 83 83 GLY N N 83 104.117 106.950 -2.833 1
1 1017 . 9 1 1 A 84 84 PHE H H 84 7.923 7.488 0.435 1
1 1018 . 9 1 1 A 84 84 PHE HA H 84 4.254 4.377 -0.123 1
1 1026 . 9 1 1 A 84 84 PHE C C 84 176.479 175.937 0.542 1
1 1027 . 9 1 1 A 84 84 PHE CA C 84 60.127 59.602 0.525 1
1 1028 . 9 1 1 A 84 84 PHE CB C 84 36.999 39.108 -2.109 1
1 1034 . 9 1 1 A 84 84 PHE N N 84 119.861 119.926 -0.065 1
1 1035 . 9 1 1 A 85 85 GLU H H 85 7.730 9.142 -1.412 1
1 1036 . 9 1 1 A 85 85 GLU HA H 85 3.965 4.423 -0.458 1
1 1041 . 9 1 1 A 85 85 GLU C C 85 176.966 177.527 -0.561 1
1 1042 . 9 1 1 A 85 85 GLU CA C 85 57.841 59.107 -1.266 1
1 1043 . 9 1 1 A 85 85 GLU CB C 85 32.054 30.568 1.486 1
1 1045 . 9 1 1 A 85 85 GLU N N 85 122.200 124.756 -2.556 1
1 1046 . 9 1 1 A 86 86 HIS H H 86 9.957 7.821 2.136 1
1 1047 . 9 1 1 A 86 86 HIS HA H 86 4.988 4.704 0.284 1
1 1052 . 9 1 1 A 86 86 HIS C C 86 171.400 174.261 -2.861 1
1 1053 . 9 1 1 A 86 86 HIS CA C 86 53.063 55.271 -2.208 1
1 1054 . 9 1 1 A 86 86 HIS CB C 86 29.823 28.463 1.360 1
1 1057 . 9 1 1 A 86 86 HIS N N 86 122.245 117.592 4.653 1
1 1060 . 9 1 1 A 87 87 VAL H H 87 8.233 8.514 -0.281 1
1 1061 . 9 1 1 A 87 87 VAL HA H 87 4.934 4.876 0.058 1
1 1069 . 9 1 1 A 87 87 VAL C C 87 175.510 174.112 1.398 1
1 1070 . 9 1 1 A 87 87 VAL CA C 87 59.972 60.632 -0.660 1
1 1071 . 9 1 1 A 87 87 VAL CB C 87 33.883 35.307 -1.424 1
1 1074 . 9 1 1 A 87 87 VAL N N 87 120.946 124.783 -3.837 1
1 1075 . 9 1 1 A 88 88 SER H H 88 8.968 8.769 0.199 1
1 1076 . 9 1 1 A 88 88 SER HA H 88 4.869 5.277 -0.408 1
1 1079 . 9 1 1 A 88 88 SER C C 88 174.093 173.114 0.979 1
1 1080 . 9 1 1 A 88 88 SER CA C 88 55.935 56.318 -0.383 1
1 1081 . 9 1 1 A 88 88 SER CB C 88 66.077 65.871 0.206 1
1 1082 . 9 1 1 A 88 88 SER N N 88 121.913 122.190 -0.277 1
1 1083 . 9 1 1 A 89 89 GLU H H 89 8.628 8.312 0.316 1
1 1084 . 9 1 1 A 89 89 GLU HA H 89 4.233 4.643 -0.410 1
1 1089 . 9 1 1 A 89 89 GLU C C 89 175.212 175.827 -0.615 1
1 1090 . 9 1 1 A 89 89 GLU CA C 89 55.728 56.141 -0.413 1
1 1091 . 9 1 1 A 89 89 GLU CB C 89 31.640 30.215 1.425 1
1 1093 . 9 1 1 A 89 89 GLU N N 89 125.288 124.376 0.912 1
1 1094 . 9 1 1 A 90 90 LEU H H 90 8.727 8.789 -0.062 1
1 1095 . 9 1 1 A 90 90 LEU HA H 90 4.829 4.996 -0.167 1
1 1105 . 9 1 1 A 90 90 LEU C C 90 175.893 175.850 0.043 1
1 1106 . 9 1 1 A 90 90 LEU CA C 90 53.771 54.898 -1.127 1
1 1107 . 9 1 1 A 90 90 LEU CB C 90 41.511 42.988 -1.477 1
1 1111 . 9 1 1 A 90 90 LEU N N 90 125.766 128.908 -3.142 1
1 1112 . 9 1 1 A 91 91 LYS H H 91 8.715 8.960 -0.245 1
1 1113 . 9 1 1 A 91 91 LYS HA H 91 4.164 3.953 0.211 1
1 1122 . 9 1 1 A 91 91 LYS C C 91 177.680 177.435 0.245 1
1 1123 . 9 1 1 A 91 91 LYS CA C 91 57.796 58.734 -0.938 1
1 1124 . 9 1 1 A 91 91 LYS CB C 91 31.705 32.181 -0.476 1
1 1128 . 9 1 1 A 91 91 LYS N N 91 131.405 127.549 3.856 1
1 1129 . 9 1 1 A 92 92 GLY H H 92 9.408 7.884 1.524 1
1 1130 . 9 1 1 A 92 92 GLY HA2 H 92 3.828 3.975 -0.147 1
1 1131 . 9 1 1 A 92 92 GLY HA3 H 92 4.268 3.983 0.285 1
1 1132 . 9 1 1 A 92 92 GLY C C 92 175.634 174.597 1.037 1
1 1133 . 9 1 1 A 92 92 GLY CA C 92 46.001 45.139 0.862 1
1 1134 . 9 1 1 A 92 92 GLY N N 92 115.262 111.885 3.377 1
1 1135 . 9 1 1 A 93 93 GLY H H 93 7.616 8.276 -0.660 1
1 1136 . 9 1 1 A 93 93 GLY HA2 H 93 3.429 4.082 -0.653 1
1 1137 . 9 1 1 A 93 93 GLY HA3 H 93 4.276 4.133 0.143 1
1 1138 . 9 1 1 A 93 93 GLY C C 93 172.357 174.841 -2.484 1
1 1139 . 9 1 1 A 93 93 GLY CA C 93 46.436 45.921 0.515 1
1 1140 . 9 1 1 A 93 93 GLY N N 93 106.201 108.599 -2.398 1
1 1141 . 9 1 1 A 94 94 LEU H H 94 8.854 9.001 -0.147 1
1 1142 . 9 1 1 A 94 94 LEU HA H 94 3.643 4.158 -0.515 1
1 1152 . 9 1 1 A 94 94 LEU C C 94 178.092 178.755 -0.663 1
1 1153 . 9 1 1 A 94 94 LEU CA C 94 56.966 57.419 -0.453 1
1 1154 . 9 1 1 A 94 94 LEU CB C 94 41.937 41.758 0.179 1
1 1158 . 9 1 1 A 94 94 LEU N N 94 124.279 125.428 -1.149 1
1 1159 . 9 1 1 A 95 95 ALA H H 95 8.683 8.205 0.478 1
1 1160 . 9 1 1 A 95 95 ALA HA H 95 4.061 3.987 0.074 1
1 1164 . 9 1 1 A 95 95 ALA C C 95 180.877 179.611 1.266 1
1 1165 . 9 1 1 A 95 95 ALA CA C 95 55.406 55.759 -0.353 1
1 1166 . 9 1 1 A 95 95 ALA CB C 95 18.053 17.892 0.161 1
1 1167 . 9 1 1 A 95 95 ALA N N 95 120.253 120.938 -0.685 1
1 1168 . 9 1 1 A 96 96 ALA H H 96 7.249 7.586 -0.337 1
1 1169 . 9 1 1 A 96 96 ALA HA H 96 4.132 4.044 0.088 1
1 1173 . 9 1 1 A 96 96 ALA C C 96 179.350 179.514 -0.164 1
1 1174 . 9 1 1 A 96 96 ALA CA C 96 54.429 55.106 -0.677 1
1 1175 . 9 1 1 A 96 96 ALA CB C 96 18.580 18.445 0.135 1
1 1176 . 9 1 1 A 96 96 ALA N N 96 121.080 119.432 1.648 1
1 1177 . 9 1 1 A 97 97 TRP H H 97 7.636 7.893 -0.257 1
1 1178 . 9 1 1 A 97 97 TRP HA H 97 4.051 4.150 -0.099 1
1 1187 . 9 1 1 A 97 97 TRP C C 97 178.223 178.436 -0.213 1
1 1188 . 9 1 1 A 97 97 TRP CA C 97 59.343 61.701 -2.358 1
1 1189 . 9 1 1 A 97 97 TRP CB C 97 29.734 29.778 -0.044 1
1 1195 . 9 1 1 A 97 97 TRP N N 97 119.015 120.801 -1.786 1
1 1197 . 9 1 1 A 98 98 LYS H H 98 8.764 8.276 0.488 1
1 1198 . 9 1 1 A 98 98 LYS HA H 98 3.886 4.069 -0.183 1
1 1207 . 9 1 1 A 98 98 LYS C C 98 180.503 179.458 1.045 1
1 1208 . 9 1 1 A 98 98 LYS CA C 98 59.365 59.439 -0.074 1
1 1209 . 9 1 1 A 98 98 LYS CB C 98 31.899 32.396 -0.497 1
1 1213 . 9 1 1 A 98 98 LYS N N 98 117.855 118.805 -0.950 1
1 1214 . 9 1 1 A 99 99 ALA H H 99 7.802 8.489 -0.687 1
1 1215 . 9 1 1 A 99 99 ALA HA H 99 4.139 4.097 0.042 1
1 1219 . 9 1 1 A 99 99 ALA C C 99 179.188 178.139 1.049 1
1 1220 . 9 1 1 A 99 99 ALA CA C 99 54.521 54.662 -0.141 1
1 1221 . 9 1 1 A 99 99 ALA CB C 99 18.016 18.558 -0.542 1
1 1222 . 9 1 1 A 99 99 ALA N N 99 121.263 121.434 -0.171 1
1 1223 . 9 1 1 A 100 100 ILE H H 100 6.803 7.247 -0.444 1
1 1224 . 9 1 1 A 100 100 ILE HA H 100 4.509 4.131 0.378 1
1 1234 . 9 1 1 A 100 100 ILE C C 100 175.810 176.038 -0.228 1
1 1235 . 9 1 1 A 100 100 ILE CA C 100 59.964 60.283 -0.319 1
1 1236 . 9 1 1 A 100 100 ILE CB C 100 37.866 37.353 0.513 1
1 1240 . 9 1 1 A 100 100 ILE N N 100 107.978 110.923 -2.945 1
1 1241 . 9 1 1 A 101 101 GLY H H 101 7.741 8.043 -0.302 1
1 1242 . 9 1 1 A 101 101 GLY HA2 H 101 3.618 3.894 -0.276 1
1 1243 . 9 1 1 A 101 101 GLY HA3 H 101 3.866 3.900 -0.034 1
1 1244 . 9 1 1 A 101 101 GLY C C 101 175.319 175.174 0.145 1
1 1245 . 9 1 1 A 101 101 GLY CA C 101 45.444 46.455 -1.011 1
1 1246 . 9 1 1 A 101 101 GLY N N 101 109.732 111.004 -1.272 1
1 1247 . 9 1 1 A 102 102 GLY H H 102 7.823 7.834 -0.011 1
1 1248 . 9 1 1 A 102 102 GLY HA2 H 102 2.942 2.856 0.086 1
1 1249 . 9 1 1 A 102 102 GLY HA3 H 102 2.942 3.557 -0.615 1
1 1250 . 9 1 1 A 102 102 GLY C C 102 171.578 172.950 -1.372 1
1 1251 . 9 1 1 A 102 102 GLY CA C 102 41.964 44.410 -2.446 1
1 1252 . 9 1 1 A 102 102 GLY N N 102 108.608 107.488 1.120 1
1 1253 . 9 1 1 A 103 103 PRO HA H 103 4.643 4.747 -0.104 1
1 1260 . 9 1 1 A 103 103 PRO C C 103 178.778 176.711 2.067 1
1 1261 . 9 1 1 A 103 103 PRO CA C 103 62.843 63.207 -0.364 1
1 1262 . 9 1 1 A 103 103 PRO CB C 103 32.263 31.829 0.434 1
1 1265 . 9 1 1 A 104 104 THR H H 104 8.760 8.572 0.188 1
1 1266 . 9 1 1 A 104 104 THR HA H 104 5.017 5.107 -0.090 1
1 1271 . 9 1 1 A 104 104 THR C C 104 172.498 173.130 -0.632 1
1 1272 . 9 1 1 A 104 104 THR CA C 104 59.729 59.527 0.202 1
1 1273 . 9 1 1 A 104 104 THR CB C 104 72.479 72.176 0.303 1
1 1275 . 9 1 1 A 104 104 THR N N 104 116.086 112.814 3.272 1
1 1276 . 9 1 1 A 105 105 GLU H H 105 8.267 8.596 -0.329 1
1 1277 . 9 1 1 A 105 105 GLU HA H 105 4.499 4.966 -0.467 1
1 1282 . 9 1 1 A 105 105 GLU C C 105 173.848 174.985 -1.137 1
1 1283 . 9 1 1 A 105 105 GLU CA C 105 54.647 54.467 0.180 1
1 1284 . 9 1 1 A 105 105 GLU CB C 105 34.227 33.014 1.213 1
1 1286 . 9 1 1 A 105 105 GLU N N 105 117.663 120.383 -2.720 1
1 1287 . 9 1 1 A 106 106 GLY H H 106 8.207 8.332 -0.125 1
1 1288 . 9 1 1 A 106 106 GLY HA2 H 106 3.873 4.187 -0.314 1
1 1289 . 9 1 1 A 106 106 GLY HA3 H 106 3.873 4.264 -0.391 1
1 1290 . 9 1 1 A 106 106 GLY C C 106 173.052 173.987 -0.935 1
1 1291 . 9 1 1 A 106 106 GLY CA C 106 44.313 44.897 -0.584 1
1 1292 . 9 1 1 A 106 106 GLY N N 106 108.896 108.258 0.638 1
1 1293 . 9 1 1 A 107 107 ILE H H 107 8.333 9.267 -0.934 1
1 1294 . 9 1 1 A 107 107 ILE HA H 107 4.110 4.120 -0.010 1
1 1304 . 9 1 1 A 107 107 ILE C C 107 176.773 177.903 -1.130 1
1 1305 . 9 1 1 A 107 107 ILE CA C 107 62.404 63.562 -1.158 1
1 1306 . 9 1 1 A 107 107 ILE CB C 107 38.826 38.072 0.754 1
1 1310 . 9 1 1 A 107 107 ILE N N 107 119.410 119.060 0.350 1
1 1311 . 9 1 1 A 108 108 ILE H H 108 8.369 7.709 0.660 1
1 1312 . 9 1 1 A 108 108 ILE HA H 108 4.167 3.905 0.262 1
1 1322 . 9 1 1 A 108 108 ILE C C 108 176.821 176.879 -0.058 1
1 1323 . 9 1 1 A 108 108 ILE CA C 108 61.060 63.975 -2.915 1
1 1324 . 9 1 1 A 108 108 ILE CB C 108 37.984 37.527 0.457 1
1 1328 . 9 1 1 A 108 108 ILE N N 108 122.390 119.593 2.797 1
1 1329 . 9 1 1 A 109 109 GLU H H 109 8.127 7.566 0.561 1
1 1330 . 9 1 1 A 109 109 GLU HA H 109 4.218 4.449 -0.231 1
1 1335 . 9 1 1 A 109 109 GLU C C 109 176.438 176.349 0.089 1
1 1336 . 9 1 1 A 109 109 GLU CA C 109 56.548 55.812 0.736 1
1 1337 . 9 1 1 A 109 109 GLU CB C 109 30.178 28.226 1.952 1
1 1339 . 9 1 1 A 109 109 GLU N N 109 123.739 121.870 1.869 1
1 1340 . 9 1 1 A 110 110 SER H H 110 8.291 8.519 -0.228 1
1 1341 . 9 1 1 A 110 110 SER HA H 110 4.446 4.649 -0.203 1
1 1344 . 9 1 1 A 110 110 SER C C 110 174.330 174.873 -0.543 1
1 1345 . 9 1 1 A 110 110 SER CA C 110 58.252 59.471 -1.219 1
1 1346 . 9 1 1 A 110 110 SER CB C 110 63.598 65.556 -1.958 1
1 1347 . 9 1 1 A 110 110 SER N N 110 116.242 119.235 -2.993 1
1 1348 . 9 1 1 A 111 111 ARG H H 111 8.238 7.796 0.442 1
1 1349 . 9 1 1 A 111 111 ARG HA H 111 4.426 4.493 -0.067 1
1 1357 . 9 1 1 A 111 111 ARG C C 111 176.113 176.236 -0.123 1
1 1358 . 9 1 1 A 111 111 ARG CA C 111 55.848 54.910 0.938 1
1 1359 . 9 1 1 A 111 111 ARG CB C 111 30.755 31.547 -0.792 1
1 1362 . 9 1 1 A 111 111 ARG N N 111 122.827 118.031 4.796 1
1 1364 . 9 1 1 A 112 112 THR H H 112 8.229 7.733 0.496 1
1 1365 . 9 1 1 A 112 112 THR HA H 112 4.573 4.470 0.103 1
1 1370 . 9 1 1 A 112 112 THR C C 112 172.790 174.759 -1.969 1
1 1371 . 9 1 1 A 112 112 THR CA C 112 59.716 62.030 -2.314 1
1 1372 . 9 1 1 A 112 112 THR CB C 112 69.503 67.250 2.253 1
1 1374 . 9 1 1 A 112 112 THR N N 112 117.863 113.127 4.736 1
1 1375 . 9 1 1 A 113 113 PRO HA H 113 4.388 4.407 -0.019 1
1 1382 . 9 1 1 A 113 113 PRO C C 113 176.605 176.172 0.433 1
1 1383 . 9 1 1 A 113 113 PRO CA C 113 63.131 65.549 -2.418 1
1 1384 . 9 1 1 A 113 113 PRO CB C 113 31.931 31.739 0.192 1
1 1387 . 9 1 1 A 114 114 ALA H H 114 8.422 7.281 1.141 1
1 1388 . 9 1 1 A 114 114 ALA HA H 114 4.284 4.469 -0.185 1
1 1392 . 9 1 1 A 114 114 ALA C C 114 178.251 176.568 1.683 1
1 1393 . 9 1 1 A 114 114 ALA CA C 114 52.518 51.545 0.973 1
1 1394 . 9 1 1 A 114 114 ALA CB C 114 19.131 21.408 -2.277 1
1 1395 . 9 1 1 A 114 114 ALA N N 114 124.466 114.988 9.478 1
1 1396 . 9 1 1 A 115 115 GLY H H 115 8.380 8.450 -0.070 1
1 1397 . 9 1 1 A 115 115 GLY HA2 H 115 3.956 4.124 -0.168 1
1 1398 . 9 1 1 A 115 115 GLY HA3 H 115 3.934 4.124 -0.190 1
1 1399 . 9 1 1 A 115 115 GLY C C 115 174.020 173.163 0.857 1
1 1400 . 9 1 1 A 115 115 GLY CA C 115 45.095 44.090 1.005 1
1 1401 . 9 1 1 A 115 115 GLY N N 115 108.587 105.932 2.655 1
1 1402 . 9 1 1 A 116 116 ALA H H 116 8.127 8.448 -0.321 1
1 1403 . 9 1 1 A 116 116 ALA HA H 116 4.292 5.269 -0.977 1
1 1407 . 9 1 1 A 116 116 ALA C C 116 177.565 175.505 2.060 1
1 1408 . 9 1 1 A 116 116 ALA CA C 116 52.504 51.176 1.328 1
1 1409 . 9 1 1 A 116 116 ALA CB C 116 19.187 23.616 -4.429 1
1 1410 . 9 1 1 A 116 116 ALA N N 116 123.523 122.959 0.564 1
1 1411 . 9 1 1 A 117 117 ASP H H 117 8.316 8.850 -0.534 1
1 1412 . 9 1 1 A 117 117 ASP HA H 117 4.555 5.450 -0.895 1
1 1415 . 9 1 1 A 117 117 ASP C C 117 175.899 174.323 1.576 1
1 1416 . 9 1 1 A 117 117 ASP CA C 117 54.254 53.028 1.226 1
1 1417 . 9 1 1 A 117 117 ASP CB C 117 40.962 44.121 -3.159 1
1 1418 . 9 1 1 A 117 117 ASP N N 117 118.783 118.178 0.605 1
1 1419 . 9 1 1 A 118 118 ASP H H 118 8.083 8.854 -0.771 1
1 1420 . 9 1 1 A 118 118 ASP HA H 118 4.529 5.423 -0.894 1
1 1423 . 9 1 1 A 118 118 ASP C C 118 176.278 174.448 1.830 1
1 1424 . 9 1 1 A 118 118 ASP CA C 118 54.202 52.798 1.404 1
1 1425 . 9 1 1 A 118 118 ASP CB C 118 40.933 44.925 -3.992 1
1 1426 . 9 1 1 A 118 118 ASP N N 118 119.935 120.598 -0.663 1
1 1427 . 9 1 1 A 119 119 TYR H H 119 8.107 8.838 -0.731 1
1 1428 . 9 1 1 A 119 119 TYR HA H 119 4.450 5.174 -0.724 1
1 1435 . 9 1 1 A 119 119 TYR C C 119 175.825 173.839 1.986 1
1 1436 . 9 1 1 A 119 119 TYR CA C 119 58.350 56.045 2.305 1
1 1437 . 9 1 1 A 119 119 TYR CB C 119 38.260 41.556 -3.296 1
1 1442 . 9 1 1 A 119 119 TYR N N 119 120.415 116.862 3.553 1
1 1443 . 9 1 1 A 120 120 ASN H H 120 8.276 8.527 -0.251 1
1 1444 . 9 1 1 A 120 120 ASN HA H 120 4.615 4.637 -0.022 1
1 1449 . 9 1 1 A 120 120 ASN C C 120 175.102 174.892 0.210 1
1 1450 . 9 1 1 A 120 120 ASN CA C 120 53.396 53.173 0.223 1
1 1451 . 9 1 1 A 120 120 ASN CB C 120 38.712 38.338 0.374 1
1 1452 . 9 1 1 A 120 120 ASN N N 120 119.834 119.542 0.292 1
1 1454 . 9 1 1 A 121 121 VAL H H 121 7.897 8.454 -0.557 1
1 1455 . 9 1 1 A 121 121 VAL HA H 121 4.009 4.264 -0.255 1
1 1463 . 9 1 1 A 121 121 VAL C C 121 176.484 175.170 1.314 1
1 1464 . 9 1 1 A 121 121 VAL CA C 121 62.950 62.571 0.379 1
1 1465 . 9 1 1 A 121 121 VAL CB C 121 32.326 30.239 2.087 1
1 1468 . 9 1 1 A 121 121 VAL N N 121 120.109 125.389 -5.280 1
1 1469 . 9 1 1 A 122 122 VAL H H 122 8.091 8.687 -0.596 1
1 1470 . 9 1 1 A 122 122 VAL HA H 122 4.014 5.025 -1.011 1
1 1478 . 9 1 1 A 122 122 VAL C C 122 176.568 174.526 2.042 1
1 1479 . 9 1 1 A 122 122 VAL CA C 122 62.924 60.117 2.807 1
1 1480 . 9 1 1 A 122 122 VAL CB C 122 32.279 34.367 -2.088 1
1 1483 . 9 1 1 A 122 122 VAL N N 122 122.407 121.049 1.358 1
1 1484 . 9 1 1 A 123 123 SER H H 123 8.228 8.467 -0.239 1
1 1485 . 9 1 1 A 123 123 SER HA H 123 4.385 4.995 -0.610 1
1 1488 . 9 1 1 A 123 123 SER C C 123 174.863 172.446 2.417 1
1 1489 . 9 1 1 A 123 123 SER CA C 123 58.525 57.952 0.573 1
1 1490 . 9 1 1 A 123 123 SER CB C 123 63.450 64.707 -1.257 1
1 1491 . 9 1 1 A 123 123 SER N N 123 118.095 120.514 -2.419 1
1 1492 . 9 1 1 A 124 124 ARG H H 124 8.208 9.065 -0.857 1
1 1493 . 9 1 1 A 124 124 ARG HA H 124 4.297 5.170 -0.873 1
1 1500 . 9 1 1 A 124 124 ARG C C 124 176.328 173.867 2.461 1
1 1501 . 9 1 1 A 124 124 ARG CA C 124 56.408 54.696 1.712 1
1 1502 . 9 1 1 A 124 124 ARG CB C 124 30.480 34.167 -3.687 1
1 1505 . 9 1 1 A 124 124 ARG N N 124 122.632 128.769 -6.137 1
1 1506 . 9 1 1 A 125 125 LEU H H 125 8.081 8.615 -0.534 1
1 1507 . 9 1 1 A 125 125 LEU HA H 125 4.262 4.852 -0.590 1
1 1517 . 9 1 1 A 125 125 LEU C C 125 177.375 174.778 2.597 1
1 1518 . 9 1 1 A 125 125 LEU CA C 125 55.282 54.579 0.703 1
1 1519 . 9 1 1 A 125 125 LEU CB C 125 42.042 43.547 -1.505 1
1 1523 . 9 1 1 A 125 125 LEU N N 125 121.964 126.137 -4.173 1
1 1524 . 9 1 1 A 126 126 GLU H H 126 8.232 8.749 -0.517 1
1 1525 . 9 1 1 A 126 126 GLU HA H 126 4.179 4.938 -0.759 1
1 1530 . 9 1 1 A 126 126 GLU C C 126 176.238 174.928 1.310 1
1 1531 . 9 1 1 A 126 126 GLU CA C 126 56.451 55.375 1.076 1
1 1532 . 9 1 1 A 126 126 GLU CB C 126 30.131 32.850 -2.719 1
1 14 . 10 1 1 A 2 2 GLU H H 2 8.824 8.733 0.091 1
1 15 . 10 1 1 A 2 2 GLU HA H 2 4.687 4.444 0.243 1
1 20 . 10 1 1 A 2 2 GLU C C 2 175.506 176.679 -1.173 1
1 21 . 10 1 1 A 2 2 GLU CA C 2 54.603 54.862 -0.259 1
1 22 . 10 1 1 A 2 2 GLU CB C 2 29.310 28.939 0.371 1
1 24 . 10 1 1 A 2 2 GLU N N 2 125.698 127.075 -1.377 1
1 25 . 10 1 1 A 3 3 PRO HA H 3 4.398 4.384 0.014 1
1 32 . 10 1 1 A 3 3 PRO C C 3 176.267 176.575 -0.308 1
1 33 . 10 1 1 A 3 3 PRO CA C 3 64.781 64.801 -0.020 1
1 34 . 10 1 1 A 3 3 PRO CB C 3 31.918 31.921 -0.003 1
1 37 . 10 1 1 A 4 4 GLN H H 4 7.738 8.069 -0.331 1
1 38 . 10 1 1 A 4 4 GLN HA H 4 4.908 4.794 0.114 1
1 45 . 10 1 1 A 4 4 GLN C C 4 175.006 174.572 0.434 1
1 46 . 10 1 1 A 4 4 GLN CA C 4 54.697 54.891 -0.194 1
1 47 . 10 1 1 A 4 4 GLN CB C 4 31.196 30.508 0.688 1
1 49 . 10 1 1 A 4 4 GLN N N 4 114.971 118.506 -3.535 1
1 51 . 10 1 1 A 5 5 SER H H 5 9.180 9.013 0.167 1
1 52 . 10 1 1 A 5 5 SER HA H 5 4.825 5.124 -0.299 1
1 55 . 10 1 1 A 5 5 SER C C 5 172.669 173.556 -0.887 1
1 56 . 10 1 1 A 5 5 SER CA C 5 58.100 57.139 0.961 1
1 57 . 10 1 1 A 5 5 SER CB C 5 65.536 64.376 1.160 1
1 58 . 10 1 1 A 5 5 SER N N 5 117.801 120.746 -2.945 1
1 59 . 10 1 1 A 6 6 ASP H H 6 8.386 8.539 -0.153 1
1 60 . 10 1 1 A 6 6 ASP HA H 6 4.841 4.623 0.218 1
1 63 . 10 1 1 A 6 6 ASP C C 6 177.071 177.059 0.012 1
1 64 . 10 1 1 A 6 6 ASP CA C 6 53.810 54.343 -0.533 1
1 65 . 10 1 1 A 6 6 ASP CB C 6 42.427 42.611 -0.184 1
1 66 . 10 1 1 A 6 6 ASP N N 6 123.042 125.246 -2.204 1
1 67 . 10 1 1 A 7 7 ALA H H 7 9.312 8.856 0.456 1
1 68 . 10 1 1 A 7 7 ALA HA H 7 4.036 4.116 -0.080 1
1 72 . 10 1 1 A 7 7 ALA C C 7 178.859 179.983 -1.124 1
1 73 . 10 1 1 A 7 7 ALA CA C 7 55.703 55.164 0.539 1
1 74 . 10 1 1 A 7 7 ALA CB C 7 17.952 18.433 -0.481 1
1 75 . 10 1 1 A 7 7 ALA N N 7 123.976 127.577 -3.601 1
1 76 . 10 1 1 A 8 8 HIS H H 8 8.537 7.567 0.970 1
1 77 . 10 1 1 A 8 8 HIS HA H 8 3.950 4.273 -0.323 1
1 82 . 10 1 1 A 8 8 HIS C C 8 178.023 177.955 0.068 1
1 83 . 10 1 1 A 8 8 HIS CA C 8 59.778 57.912 1.866 1
1 84 . 10 1 1 A 8 8 HIS CB C 8 29.039 28.265 0.774 1
1 87 . 10 1 1 A 8 8 HIS N N 8 114.303 115.545 -1.242 1
1 90 . 10 1 1 A 9 9 VAL H H 9 7.567 7.470 0.097 1
1 91 . 10 1 1 A 9 9 VAL HA H 9 3.709 3.554 0.155 1
1 99 . 10 1 1 A 9 9 VAL C C 9 178.518 178.161 0.357 1
1 100 . 10 1 1 A 9 9 VAL CA C 9 65.508 66.901 -1.393 1
1 101 . 10 1 1 A 9 9 VAL CB C 9 31.604 31.546 0.058 1
1 104 . 10 1 1 A 9 9 VAL N N 9 121.235 121.119 0.116 1
1 105 . 10 1 1 A 10 10 LEU H H 10 7.219 7.981 -0.762 1
1 106 . 10 1 1 A 10 10 LEU HA H 10 3.716 3.747 -0.031 1
1 116 . 10 1 1 A 10 10 LEU C C 10 177.133 178.179 -1.046 1
1 117 . 10 1 1 A 10 10 LEU CA C 10 57.133 58.428 -1.295 1
1 118 . 10 1 1 A 10 10 LEU CB C 10 40.756 41.228 -0.472 1
1 122 . 10 1 1 A 10 10 LEU N N 10 120.890 120.165 0.725 1
1 123 . 10 1 1 A 11 11 LYS H H 11 8.568 8.103 0.465 1
1 124 . 10 1 1 A 11 11 LYS HA H 11 3.943 3.803 0.140 1
1 133 . 10 1 1 A 11 11 LYS C C 11 178.143 178.959 -0.816 1
1 134 . 10 1 1 A 11 11 LYS CA C 11 60.388 59.473 0.915 1
1 135 . 10 1 1 A 11 11 LYS CB C 11 32.354 31.846 0.508 1
1 139 . 10 1 1 A 11 11 LYS N N 11 120.361 119.634 0.727 1
1 140 . 10 1 1 A 12 12 SER H H 12 7.865 8.477 -0.612 1
1 141 . 10 1 1 A 12 12 SER HA H 12 4.225 4.531 -0.306 1
1 144 . 10 1 1 A 12 12 SER C C 12 175.839 176.154 -0.315 1
1 145 . 10 1 1 A 12 12 SER CA C 12 61.626 61.623 0.003 1
1 146 . 10 1 1 A 12 12 SER CB C 12 62.749 63.115 -0.366 1
1 147 . 10 1 1 A 12 12 SER N N 12 113.173 117.668 -4.495 1
1 148 . 10 1 1 A 13 13 ARG H H 13 7.701 7.845 -0.144 1
1 149 . 10 1 1 A 13 13 ARG HA H 13 3.827 4.254 -0.427 1
1 157 . 10 1 1 A 13 13 ARG C C 13 178.606 178.505 0.101 1
1 158 . 10 1 1 A 13 13 ARG CA C 13 58.926 58.413 0.513 1
1 159 . 10 1 1 A 13 13 ARG CB C 13 29.616 29.682 -0.066 1
1 162 . 10 1 1 A 13 13 ARG N N 13 122.104 121.248 0.856 1
1 164 . 10 1 1 A 14 14 LEU H H 14 8.308 8.329 -0.021 1
1 165 . 10 1 1 A 14 14 LEU HA H 14 4.219 4.338 -0.119 1
1 175 . 10 1 1 A 14 14 LEU C C 14 178.590 178.873 -0.283 1
1 176 . 10 1 1 A 14 14 LEU CA C 14 57.904 58.408 -0.504 1
1 177 . 10 1 1 A 14 14 LEU CB C 14 42.627 42.122 0.505 1
1 181 . 10 1 1 A 14 14 LEU N N 14 119.549 121.381 -1.832 1
1 182 . 10 1 1 A 15 15 GLU H H 15 7.824 8.313 -0.489 1
1 183 . 10 1 1 A 15 15 GLU HA H 15 3.998 4.000 -0.002 1
1 188 . 10 1 1 A 15 15 GLU C C 15 177.805 178.387 -0.582 1
1 189 . 10 1 1 A 15 15 GLU CA C 15 58.219 59.040 -0.821 1
1 190 . 10 1 1 A 15 15 GLU CB C 15 29.865 30.148 -0.283 1
1 192 . 10 1 1 A 15 15 GLU N N 15 116.921 117.803 -0.882 1
1 193 . 10 1 1 A 16 16 TRP H H 16 7.905 8.344 -0.439 1
1 194 . 10 1 1 A 16 16 TRP HA H 16 4.895 4.641 0.254 1
1 203 . 10 1 1 A 16 16 TRP C C 16 176.778 177.868 -1.090 1
1 204 . 10 1 1 A 16 16 TRP CA C 16 57.033 59.596 -2.563 1
1 205 . 10 1 1 A 16 16 TRP CB C 16 30.513 30.808 -0.295 1
1 211 . 10 1 1 A 16 16 TRP N N 16 116.589 120.146 -3.557 1
1 213 . 10 1 1 A 17 17 GLY H H 17 8.007 8.199 -0.192 1
1 214 . 10 1 1 A 17 17 GLY HA2 H 17 3.979 3.998 -0.019 1
1 215 . 10 1 1 A 17 17 GLY HA3 H 17 4.200 4.001 0.199 1
1 216 . 10 1 1 A 17 17 GLY C C 17 173.650 173.685 -0.035 1
1 217 . 10 1 1 A 17 17 GLY CA C 17 44.786 44.803 -0.017 1
1 218 . 10 1 1 A 17 17 GLY N N 17 108.398 107.721 0.677 1
1 219 . 10 1 1 A 18 18 GLU H H 18 8.483 8.183 0.300 1
1 220 . 10 1 1 A 18 18 GLU HA H 18 4.534 4.953 -0.419 1
1 225 . 10 1 1 A 18 18 GLU C C 18 176.535 175.985 0.550 1
1 226 . 10 1 1 A 18 18 GLU CA C 18 54.615 53.141 1.474 1
1 227 . 10 1 1 A 18 18 GLU CB C 18 29.654 32.943 -3.289 1
1 229 . 10 1 1 A 18 18 GLU N N 18 121.984 123.651 -1.667 1
1 230 . 10 1 1 A 19 19 PRO HA H 19 4.549 4.337 0.212 1
1 237 . 10 1 1 A 19 19 PRO C C 19 176.737 175.997 0.740 1
1 238 . 10 1 1 A 19 19 PRO CA C 19 63.685 63.866 -0.181 1
1 239 . 10 1 1 A 19 19 PRO CB C 19 30.940 32.384 -1.444 1
1 242 . 10 1 1 A 20 20 ALA H H 20 8.386 8.285 0.101 1
1 243 . 10 1 1 A 20 20 ALA HA H 20 4.536 4.458 0.078 1
1 247 . 10 1 1 A 20 20 ALA C C 20 174.844 176.033 -1.189 1
1 248 . 10 1 1 A 20 20 ALA CA C 20 51.312 51.615 -0.303 1
1 249 . 10 1 1 A 20 20 ALA CB C 20 17.883 17.571 0.312 1
1 250 . 10 1 1 A 20 20 ALA N N 20 126.537 122.002 4.535 1
1 251 . 10 1 1 A 21 21 PHE H H 21 7.244 7.457 -0.213 1
1 252 . 10 1 1 A 21 21 PHE HA H 21 5.485 5.516 -0.031 1
1 260 . 10 1 1 A 21 21 PHE C C 21 173.639 172.332 1.307 1
1 261 . 10 1 1 A 21 21 PHE CA C 21 55.312 55.989 -0.677 1
1 262 . 10 1 1 A 21 21 PHE CB C 21 41.581 41.463 0.118 1
1 268 . 10 1 1 A 21 21 PHE N N 21 115.447 115.471 -0.024 1
1 269 . 10 1 1 A 22 22 THR H H 22 9.203 8.947 0.256 1
1 270 . 10 1 1 A 22 22 THR HA H 22 4.583 5.191 -0.608 1
1 275 . 10 1 1 A 22 22 THR C C 22 171.987 173.074 -1.087 1
1 276 . 10 1 1 A 22 22 THR CA C 22 62.368 59.859 2.509 1
1 277 . 10 1 1 A 22 22 THR CB C 22 72.961 71.706 1.255 1
1 279 . 10 1 1 A 22 22 THR N N 22 119.035 115.330 3.705 1
1 280 . 10 1 1 A 23 23 ILE H H 23 9.318 9.186 0.132 1
1 281 . 10 1 1 A 23 23 ILE HA H 23 5.172 5.303 -0.131 1
1 291 . 10 1 1 A 23 23 ILE C C 23 173.969 174.335 -0.366 1
1 292 . 10 1 1 A 23 23 ILE CA C 23 59.958 59.866 0.092 1
1 293 . 10 1 1 A 23 23 ILE CB C 23 40.273 39.472 0.801 1
1 297 . 10 1 1 A 23 23 ILE N N 23 127.452 127.397 0.055 1
1 298 . 10 1 1 A 24 24 LEU H H 24 9.522 9.525 -0.003 1
1 299 . 10 1 1 A 24 24 LEU HA H 24 4.871 5.086 -0.215 1
1 309 . 10 1 1 A 24 24 LEU C C 24 172.823 174.915 -2.092 1
1 310 . 10 1 1 A 24 24 LEU CA C 24 53.100 53.091 0.009 1
1 311 . 10 1 1 A 24 24 LEU CB C 24 44.522 43.543 0.979 1
1 315 . 10 1 1 A 24 24 LEU N N 24 127.148 127.968 -0.820 1
1 316 . 10 1 1 A 25 25 ASP H H 25 8.325 8.943 -0.618 1
1 317 . 10 1 1 A 25 25 ASP HA H 25 4.112 4.214 -0.102 1
1 320 . 10 1 1 A 25 25 ASP C C 25 177.457 176.900 0.557 1
1 321 . 10 1 1 A 25 25 ASP CA C 25 51.097 52.834 -1.737 1
1 322 . 10 1 1 A 25 25 ASP CB C 25 43.056 40.540 2.516 1
1 323 . 10 1 1 A 25 25 ASP N N 25 122.856 124.705 -1.849 1
1 324 . 10 1 1 A 26 26 VAL H H 26 7.924 7.920 0.004 1
1 325 . 10 1 1 A 26 26 VAL HA H 26 4.964 4.564 0.400 1
1 333 . 10 1 1 A 26 26 VAL C C 26 176.585 176.701 -0.116 1
1 334 . 10 1 1 A 26 26 VAL CA C 26 59.554 61.658 -2.104 1
1 335 . 10 1 1 A 26 26 VAL CB C 26 30.002 31.845 -1.843 1
1 338 . 10 1 1 A 26 26 VAL N N 26 117.391 120.158 -2.767 1
1 339 . 10 1 1 A 27 27 ARG H H 27 7.773 7.363 0.410 1
1 340 . 10 1 1 A 27 27 ARG HA H 27 4.418 4.125 0.293 1
1 352 . 10 1 1 A 27 27 ARG C C 27 173.931 175.909 -1.978 1
1 353 . 10 1 1 A 27 27 ARG CA C 27 55.487 57.991 -2.504 1
1 354 . 10 1 1 A 27 27 ARG CB C 27 30.337 30.830 -0.493 1
1 357 . 10 1 1 A 27 27 ARG N N 27 121.126 121.107 0.019 1
1 361 . 10 1 1 A 28 28 ASP H H 28 7.792 7.709 0.083 1
1 362 . 10 1 1 A 28 28 ASP HA H 28 4.431 4.780 -0.349 1
1 365 . 10 1 1 A 28 28 ASP C C 28 176.402 175.790 0.612 1
1 366 . 10 1 1 A 28 28 ASP CA C 28 54.427 53.736 0.691 1
1 367 . 10 1 1 A 28 28 ASP CB C 28 41.498 43.787 -2.289 1
1 368 . 10 1 1 A 28 28 ASP N N 28 115.368 114.464 0.904 1
1 369 . 10 1 1 A 29 29 ARG H H 29 8.781 8.684 0.097 1
1 370 . 10 1 1 A 29 29 ARG HA H 29 3.853 3.905 -0.052 1
1 378 . 10 1 1 A 29 29 ARG C C 29 177.811 177.230 0.581 1
1 379 . 10 1 1 A 29 29 ARG CA C 29 58.920 59.409 -0.489 1
1 380 . 10 1 1 A 29 29 ARG CB C 29 29.762 29.964 -0.202 1
1 383 . 10 1 1 A 29 29 ARG N N 29 121.538 125.496 -3.958 1
1 385 . 10 1 1 A 30 30 SER H H 30 8.478 7.694 0.784 1
1 386 . 10 1 1 A 30 30 SER HA H 30 4.190 4.301 -0.111 1
1 389 . 10 1 1 A 30 30 SER C C 30 176.814 177.373 -0.559 1
1 390 . 10 1 1 A 30 30 SER CA C 30 61.929 61.375 0.554 1
1 391 . 10 1 1 A 30 30 SER CB C 30 62.051 62.700 -0.649 1
1 392 . 10 1 1 A 30 30 SER N N 30 113.937 114.546 -0.609 1
1 393 . 10 1 1 A 31 31 THR H H 31 7.724 7.675 0.049 1
1 394 . 10 1 1 A 31 31 THR HA H 31 4.096 3.886 0.210 1
1 399 . 10 1 1 A 31 31 THR C C 31 176.940 176.263 0.677 1
1 400 . 10 1 1 A 31 31 THR CA C 31 66.078 66.687 -0.609 1
1 401 . 10 1 1 A 31 31 THR CB C 31 67.583 68.760 -1.177 1
1 403 . 10 1 1 A 31 31 THR N N 31 120.025 117.034 2.991 1
1 404 . 10 1 1 A 32 32 TYR H H 32 8.186 8.509 -0.323 1
1 405 . 10 1 1 A 32 32 TYR HA H 32 4.009 4.114 -0.105 1
1 410 . 10 1 1 A 32 32 TYR C C 32 180.166 177.174 2.992 1
1 411 . 10 1 1 A 32 32 TYR CA C 32 61.797 62.336 -0.539 1
1 412 . 10 1 1 A 32 32 TYR CB C 32 37.300 38.656 -1.356 1
1 415 . 10 1 1 A 32 32 TYR N N 32 123.636 122.225 1.411 1
1 416 . 10 1 1 A 33 33 ASN H H 33 8.838 8.155 0.683 1
1 417 . 10 1 1 A 33 33 ASN HA H 33 4.435 4.286 0.149 1
1 422 . 10 1 1 A 33 33 ASN C C 33 176.730 178.113 -1.383 1
1 423 . 10 1 1 A 33 33 ASN CA C 33 55.167 56.297 -1.130 1
1 424 . 10 1 1 A 33 33 ASN CB C 33 37.308 37.493 -0.185 1
1 425 . 10 1 1 A 33 33 ASN N N 33 122.000 118.187 3.813 1
1 427 . 10 1 1 A 34 34 ASP H H 34 7.510 7.990 -0.480 1
1 428 . 10 1 1 A 34 34 ASP HA H 34 4.587 4.380 0.207 1
1 431 . 10 1 1 A 34 34 ASP C C 34 177.045 176.770 0.275 1
1 432 . 10 1 1 A 34 34 ASP CA C 34 56.487 56.857 -0.370 1
1 433 . 10 1 1 A 34 34 ASP CB C 34 40.822 41.206 -0.384 1
1 434 . 10 1 1 A 34 34 ASP N N 34 119.832 117.550 2.282 1
1 435 . 10 1 1 A 35 35 GLY H H 35 7.412 7.229 0.183 1
1 436 . 10 1 1 A 35 35 GLY HA2 H 35 3.997 4.012 -0.015 1
1 437 . 10 1 1 A 35 35 GLY HA3 H 35 3.997 4.070 -0.073 1
1 438 . 10 1 1 A 35 35 GLY C C 35 171.246 171.693 -0.447 1
1 439 . 10 1 1 A 35 35 GLY CA C 35 46.441 45.788 0.653 1
1 440 . 10 1 1 A 35 35 GLY N N 35 106.611 102.694 3.917 1
1 441 . 10 1 1 A 36 36 HIS H H 36 8.441 8.894 -0.453 1
1 442 . 10 1 1 A 36 36 HIS HA H 36 4.782 5.264 -0.482 1
1 447 . 10 1 1 A 36 36 HIS C C 36 172.800 172.476 0.324 1
1 448 . 10 1 1 A 36 36 HIS CA C 36 53.425 54.438 -1.013 1
1 449 . 10 1 1 A 36 36 HIS CB C 36 31.978 31.469 0.509 1
1 452 . 10 1 1 A 36 36 HIS N N 36 117.929 117.289 0.640 1
1 455 . 10 1 1 A 37 37 ILE H H 37 8.087 8.872 -0.785 1
1 456 . 10 1 1 A 37 37 ILE HA H 37 3.223 3.950 -0.727 1
1 466 . 10 1 1 A 37 37 ILE C C 37 175.423 175.875 -0.452 1
1 467 . 10 1 1 A 37 37 ILE CA C 37 64.607 61.035 3.572 1
1 468 . 10 1 1 A 37 37 ILE CB C 37 37.269 37.571 -0.302 1
1 472 . 10 1 1 A 37 37 ILE N N 37 120.831 120.582 0.249 1
1 473 . 10 1 1 A 38 38 MET H H 38 7.625 8.503 -0.878 1
1 474 . 10 1 1 A 38 38 MET HA H 38 3.953 4.184 -0.231 1
1 482 . 10 1 1 A 38 38 MET C C 38 174.632 177.464 -2.832 1
1 483 . 10 1 1 A 38 38 MET CA C 38 57.865 57.100 0.765 1
1 484 . 10 1 1 A 38 38 MET CB C 38 32.882 32.188 0.694 1
1 487 . 10 1 1 A 38 38 MET N N 38 128.683 126.075 2.608 1
1 488 . 10 1 1 A 39 39 GLY H H 39 8.795 8.375 0.420 1
1 489 . 10 1 1 A 39 39 GLY HA2 H 39 3.727 3.903 -0.176 1
1 490 . 10 1 1 A 39 39 GLY HA3 H 39 4.345 3.935 0.410 1
1 491 . 10 1 1 A 39 39 GLY C C 39 175.442 174.393 1.049 1
1 492 . 10 1 1 A 39 39 GLY CA C 39 44.964 46.769 -1.805 1
1 493 . 10 1 1 A 39 39 GLY N N 39 113.814 114.034 -0.220 1
1 494 . 10 1 1 A 40 40 ALA H H 40 8.566 7.631 0.935 1
1 495 . 10 1 1 A 40 40 ALA HA H 40 4.656 4.790 -0.134 1
1 499 . 10 1 1 A 40 40 ALA C C 40 177.459 176.092 1.367 1
1 500 . 10 1 1 A 40 40 ALA CA C 40 52.139 51.340 0.799 1
1 501 . 10 1 1 A 40 40 ALA CB C 40 20.657 22.017 -1.360 1
1 502 . 10 1 1 A 40 40 ALA N N 40 122.444 123.081 -0.637 1
1 503 . 10 1 1 A 41 41 MET H H 41 9.268 8.977 0.291 1
1 504 . 10 1 1 A 41 41 MET HA H 41 4.478 4.955 -0.477 1
1 512 . 10 1 1 A 41 41 MET C C 41 174.328 175.179 -0.851 1
1 513 . 10 1 1 A 41 41 MET CA C 41 54.330 53.762 0.568 1
1 514 . 10 1 1 A 41 41 MET CB C 41 34.473 33.622 0.851 1
1 517 . 10 1 1 A 41 41 MET N N 41 123.908 118.935 4.973 1
1 518 . 10 1 1 A 42 42 ALA H H 42 8.162 8.519 -0.357 1
1 519 . 10 1 1 A 42 42 ALA HA H 42 3.870 4.119 -0.249 1
1 523 . 10 1 1 A 42 42 ALA C C 42 177.157 175.733 1.424 1
1 524 . 10 1 1 A 42 42 ALA CA C 42 51.888 50.809 1.079 1
1 525 . 10 1 1 A 42 42 ALA CB C 42 16.282 17.202 -0.920 1
1 526 . 10 1 1 A 42 42 ALA N N 42 126.936 125.351 1.585 1
1 527 . 10 1 1 A 43 43 MET H H 43 8.109 8.319 -0.210 1
1 528 . 10 1 1 A 43 43 MET HA H 43 4.386 4.882 -0.496 1
1 536 . 10 1 1 A 43 43 MET C C 43 168.952 174.516 -5.564 1
1 537 . 10 1 1 A 43 43 MET CA C 43 53.535 52.713 0.822 1
1 538 . 10 1 1 A 43 43 MET CB C 43 34.346 33.244 1.102 1
1 541 . 10 1 1 A 43 43 MET N N 43 125.282 122.139 3.143 1
1 542 . 10 1 1 A 44 44 PRO HA H 44 3.949 4.598 -0.649 1
1 549 . 10 1 1 A 44 44 PRO C C 44 179.070 177.889 1.181 1
1 550 . 10 1 1 A 44 44 PRO CA C 44 62.524 62.771 -0.247 1
1 551 . 10 1 1 A 44 44 PRO CB C 44 32.611 32.019 0.592 1
1 554 . 10 1 1 A 45 45 ILE H H 45 7.764 8.624 -0.860 1
1 555 . 10 1 1 A 45 45 ILE HA H 45 3.851 3.924 -0.073 1
1 565 . 10 1 1 A 45 45 ILE C C 45 175.827 177.664 -1.837 1
1 566 . 10 1 1 A 45 45 ILE CA C 45 64.676 63.492 1.184 1
1 567 . 10 1 1 A 45 45 ILE CB C 45 38.991 38.010 0.981 1
1 571 . 10 1 1 A 45 45 ILE N N 45 121.655 125.078 -3.423 1
1 572 . 10 1 1 A 46 46 GLU H H 46 9.102 8.199 0.903 1
1 573 . 10 1 1 A 46 46 GLU HA H 46 4.056 4.065 -0.009 1
1 578 . 10 1 1 A 46 46 GLU C C 46 176.499 177.656 -1.157 1
1 579 . 10 1 1 A 46 46 GLU CA C 46 59.349 59.291 0.058 1
1 580 . 10 1 1 A 46 46 GLU CB C 46 28.456 30.027 -1.571 1
1 582 . 10 1 1 A 46 46 GLU N N 46 121.004 121.888 -0.884 1
1 583 . 10 1 1 A 47 47 ASP H H 47 7.729 7.873 -0.144 1
1 584 . 10 1 1 A 47 47 ASP HA H 47 5.059 4.787 0.272 1
1 587 . 10 1 1 A 47 47 ASP C C 47 175.683 176.702 -1.019 1
1 588 . 10 1 1 A 47 47 ASP CA C 47 53.266 54.245 -0.979 1
1 589 . 10 1 1 A 47 47 ASP CB C 47 42.048 41.730 0.318 1
1 590 . 10 1 1 A 47 47 ASP N N 47 117.171 117.146 0.025 1
1 591 . 10 1 1 A 48 48 LEU H H 48 7.193 7.489 -0.296 1
1 592 . 10 1 1 A 48 48 LEU HA H 48 3.690 3.884 -0.194 1
1 602 . 10 1 1 A 48 48 LEU C C 48 176.829 178.327 -1.498 1
1 603 . 10 1 1 A 48 48 LEU CA C 48 58.905 58.971 -0.066 1
1 604 . 10 1 1 A 48 48 LEU CB C 48 43.334 41.886 1.448 1
1 608 . 10 1 1 A 48 48 LEU N N 48 121.314 121.629 -0.315 1
1 609 . 10 1 1 A 49 49 VAL H H 49 8.507 8.052 0.455 1
1 610 . 10 1 1 A 49 49 VAL HA H 49 3.290 3.548 -0.258 1
1 618 . 10 1 1 A 49 49 VAL C C 49 178.915 177.092 1.823 1
1 619 . 10 1 1 A 49 49 VAL CA C 49 67.886 67.045 0.841 1
1 620 . 10 1 1 A 49 49 VAL CB C 49 30.881 31.718 -0.837 1
1 623 . 10 1 1 A 49 49 VAL N N 49 116.698 119.234 -2.536 1
1 624 . 10 1 1 A 50 50 ASP H H 50 8.474 8.312 0.162 1
1 625 . 10 1 1 A 50 50 ASP HA H 50 4.396 4.433 -0.037 1
1 628 . 10 1 1 A 50 50 ASP C C 50 178.890 179.163 -0.273 1
1 629 . 10 1 1 A 50 50 ASP CA C 50 57.477 57.417 0.060 1
1 630 . 10 1 1 A 50 50 ASP CB C 50 40.945 40.099 0.846 1
1 631 . 10 1 1 A 50 50 ASP N N 50 121.526 119.240 2.286 1
1 632 . 10 1 1 A 51 51 ARG H H 51 8.334 8.300 0.034 1
1 633 . 10 1 1 A 51 51 ARG HA H 51 4.079 4.070 0.009 1
1 641 . 10 1 1 A 51 51 ARG C C 51 179.634 178.977 0.657 1
1 642 . 10 1 1 A 51 51 ARG CA C 51 58.378 59.102 -0.724 1
1 643 . 10 1 1 A 51 51 ARG CB C 51 29.692 30.259 -0.567 1
1 646 . 10 1 1 A 51 51 ARG N N 51 118.666 120.582 -1.916 1
1 648 . 10 1 1 A 52 52 ALA H H 52 9.250 8.384 0.866 1
1 649 . 10 1 1 A 52 52 ALA HA H 52 3.752 4.120 -0.368 1
1 653 . 10 1 1 A 52 52 ALA C C 52 179.710 180.019 -0.309 1
1 654 . 10 1 1 A 52 52 ALA CA C 52 55.830 55.163 0.667 1
1 655 . 10 1 1 A 52 52 ALA CB C 52 18.164 17.971 0.193 1
1 656 . 10 1 1 A 52 52 ALA N N 52 124.004 122.230 1.774 1
1 657 . 10 1 1 A 53 53 SER H H 53 8.392 8.578 -0.186 1
1 658 . 10 1 1 A 53 53 SER HA H 53 4.457 4.415 0.042 1
1 661 . 10 1 1 A 53 53 SER C C 53 175.807 176.604 -0.797 1
1 662 . 10 1 1 A 53 53 SER CA C 53 62.214 61.539 0.675 1
1 663 . 10 1 1 A 53 53 SER CB C 53 62.805 62.879 -0.074 1
1 664 . 10 1 1 A 53 53 SER N N 53 111.154 113.781 -2.627 1
1 665 . 10 1 1 A 54 54 SER H H 54 7.570 7.605 -0.035 1
1 666 . 10 1 1 A 54 54 SER HA H 54 4.512 4.329 0.183 1
1 669 . 10 1 1 A 54 54 SER C C 54 175.210 175.874 -0.664 1
1 670 . 10 1 1 A 54 54 SER CA C 54 59.567 60.843 -1.276 1
1 671 . 10 1 1 A 54 54 SER CB C 54 63.902 63.352 0.550 1
1 672 . 10 1 1 A 54 54 SER N N 54 112.745 116.679 -3.934 1
1 673 . 10 1 1 A 55 55 SER H H 55 7.501 8.145 -0.644 1
1 674 . 10 1 1 A 55 55 SER HA H 55 4.744 4.787 -0.043 1
1 677 . 10 1 1 A 55 55 SER C C 55 173.106 173.510 -0.404 1
1 678 . 10 1 1 A 55 55 SER CA C 55 59.905 57.678 2.227 1
1 679 . 10 1 1 A 55 55 SER CB C 55 65.881 65.088 0.793 1
1 680 . 10 1 1 A 55 55 SER N N 55 113.238 115.044 -1.806 1
1 681 . 10 1 1 A 56 56 LEU H H 56 8.320 8.001 0.319 1
1 682 . 10 1 1 A 56 56 LEU HA H 56 4.823 4.935 -0.112 1
1 692 . 10 1 1 A 56 56 LEU C C 56 175.441 175.104 0.337 1
1 693 . 10 1 1 A 56 56 LEU CA C 56 53.476 53.415 0.061 1
1 694 . 10 1 1 A 56 56 LEU CB C 56 44.655 45.603 -0.948 1
1 698 . 10 1 1 A 56 56 LEU N N 56 122.043 121.673 0.370 1
1 699 . 10 1 1 A 57 57 GLU H H 57 8.510 8.827 -0.317 1
1 700 . 10 1 1 A 57 57 GLU HA H 57 4.334 4.900 -0.566 1
1 705 . 10 1 1 A 57 57 GLU C C 57 177.869 177.211 0.658 1
1 706 . 10 1 1 A 57 57 GLU CA C 57 55.911 55.090 0.821 1
1 707 . 10 1 1 A 57 57 GLU CB C 57 30.193 32.103 -1.910 1
1 709 . 10 1 1 A 57 57 GLU N N 57 121.479 121.255 0.224 1
1 710 . 10 1 1 A 58 58 LYS H H 58 8.513 8.879 -0.366 1
1 711 . 10 1 1 A 58 58 LYS HA H 58 3.811 3.873 -0.062 1
1 720 . 10 1 1 A 58 58 LYS C C 58 178.345 178.070 0.275 1
1 721 . 10 1 1 A 58 58 LYS CA C 58 58.526 59.147 -0.621 1
1 722 . 10 1 1 A 58 58 LYS CB C 58 31.265 31.977 -0.712 1
1 726 . 10 1 1 A 58 58 LYS N N 58 120.689 126.293 -5.604 1
1 727 . 10 1 1 A 59 59 SER H H 59 7.912 7.606 0.306 1
1 728 . 10 1 1 A 59 59 SER HA H 59 4.437 4.702 -0.265 1
1 731 . 10 1 1 A 59 59 SER C C 59 174.216 174.228 -0.012 1
1 732 . 10 1 1 A 59 59 SER CA C 59 57.862 58.573 -0.711 1
1 733 . 10 1 1 A 59 59 SER CB C 59 63.682 63.941 -0.259 1
1 734 . 10 1 1 A 59 59 SER N N 59 111.530 112.191 -0.661 1
1 735 . 10 1 1 A 60 60 ARG H H 60 7.477 7.557 -0.080 1
1 736 . 10 1 1 A 60 60 ARG HA H 60 4.199 4.139 0.060 1
1 744 . 10 1 1 A 60 60 ARG C C 60 174.880 175.848 -0.968 1
1 745 . 10 1 1 A 60 60 ARG CA C 60 55.828 56.149 -0.321 1
1 746 . 10 1 1 A 60 60 ARG CB C 60 31.971 30.462 1.509 1
1 749 . 10 1 1 A 60 60 ARG N N 60 125.535 123.588 1.947 1
1 751 . 10 1 1 A 61 61 ASP H H 61 8.540 8.474 0.066 1
1 752 . 10 1 1 A 61 61 ASP HA H 61 4.903 4.816 0.087 1
1 755 . 10 1 1 A 61 61 ASP C C 61 175.569 175.617 -0.048 1
1 756 . 10 1 1 A 61 61 ASP CA C 61 55.438 54.396 1.042 1
1 757 . 10 1 1 A 61 61 ASP CB C 61 40.847 40.063 0.784 1
1 758 . 10 1 1 A 61 61 ASP N N 61 126.761 124.780 1.981 1
1 759 . 10 1 1 A 62 62 ILE H H 62 8.630 8.985 -0.355 1
1 760 . 10 1 1 A 62 62 ILE HA H 62 5.038 5.004 0.034 1
1 770 . 10 1 1 A 62 62 ILE C C 62 174.444 174.524 -0.080 1
1 771 . 10 1 1 A 62 62 ILE CA C 62 59.799 60.704 -0.905 1
1 772 . 10 1 1 A 62 62 ILE CB C 62 42.130 39.342 2.788 1
1 776 . 10 1 1 A 62 62 ILE N N 62 125.212 124.757 0.455 1
1 777 . 10 1 1 A 63 63 TYR H H 63 9.026 9.650 -0.624 1
1 778 . 10 1 1 A 63 63 TYR HA H 63 5.230 5.368 -0.138 1
1 785 . 10 1 1 A 63 63 TYR C C 63 175.088 174.433 0.655 1
1 786 . 10 1 1 A 63 63 TYR CA C 63 56.143 56.655 -0.512 1
1 787 . 10 1 1 A 63 63 TYR CB C 63 41.302 40.699 0.603 1
1 792 . 10 1 1 A 63 63 TYR N N 63 125.467 127.195 -1.728 1
1 793 . 10 1 1 A 64 64 VAL H H 64 8.523 9.127 -0.604 1
1 794 . 10 1 1 A 64 64 VAL HA H 64 5.106 4.940 0.166 1
1 802 . 10 1 1 A 64 64 VAL C C 64 174.072 175.234 -1.162 1
1 803 . 10 1 1 A 64 64 VAL CA C 64 60.302 61.632 -1.330 1
1 804 . 10 1 1 A 64 64 VAL CB C 64 35.121 33.225 1.896 1
1 807 . 10 1 1 A 64 64 VAL N N 64 121.014 123.480 -2.466 1
1 808 . 10 1 1 A 65 65 TYR H H 65 8.832 9.019 -0.187 1
1 809 . 10 1 1 A 65 65 TYR HA H 65 5.289 5.723 -0.434 1
1 816 . 10 1 1 A 65 65 TYR C C 65 172.116 173.922 -1.806 1
1 817 . 10 1 1 A 65 65 TYR CA C 65 56.777 55.224 1.553 1
1 818 . 10 1 1 A 65 65 TYR CB C 65 42.528 41.810 0.718 1
1 819 . 10 1 1 A 65 65 TYR N N 65 120.331 122.699 -2.368 1
1 820 . 10 1 1 A 66 66 GLY H H 66 8.278 9.006 -0.728 1
1 821 . 10 1 1 A 66 66 GLY HA2 H 66 3.449 4.045 -0.596 1
1 822 . 10 1 1 A 66 66 GLY HA3 H 66 4.408 4.140 0.268 1
1 823 . 10 1 1 A 66 66 GLY C C 66 173.636 174.723 -1.087 1
1 824 . 10 1 1 A 66 66 GLY CA C 66 43.793 43.979 -0.186 1
1 825 . 10 1 1 A 66 66 GLY N N 66 108.458 109.361 -0.903 1
1 826 . 10 1 1 A 67 67 ALA H H 67 9.485 8.824 0.661 1
1 827 . 10 1 1 A 67 67 ALA HA H 67 4.331 4.203 0.128 1
1 831 . 10 1 1 A 67 67 ALA C C 67 176.363 177.389 -1.026 1
1 832 . 10 1 1 A 67 67 ALA CA C 67 52.848 54.743 -1.895 1
1 833 . 10 1 1 A 67 67 ALA CB C 67 18.178 19.791 -1.613 1
1 834 . 10 1 1 A 67 67 ALA N N 67 126.325 121.619 4.706 1
1 835 . 10 1 1 A 68 68 GLY H H 68 7.553 7.827 -0.274 1
1 836 . 10 1 1 A 68 68 GLY HA2 H 68 4.270 4.124 0.146 1
1 837 . 10 1 1 A 68 68 GLY HA3 H 68 4.209 4.134 0.075 1
1 838 . 10 1 1 A 68 68 GLY C C 68 173.695 174.752 -1.057 1
1 839 . 10 1 1 A 68 68 GLY CA C 68 44.112 44.488 -0.376 1
1 840 . 10 1 1 A 68 68 GLY N N 68 106.057 104.136 1.921 1
1 841 . 10 1 1 A 69 69 ASP H H 69 8.904 9.141 -0.237 1
1 842 . 10 1 1 A 69 69 ASP HA H 69 4.408 4.322 0.086 1
1 845 . 10 1 1 A 69 69 ASP C C 69 178.531 178.473 0.058 1
1 846 . 10 1 1 A 69 69 ASP CA C 69 57.592 57.265 0.327 1
1 847 . 10 1 1 A 69 69 ASP CB C 69 40.198 40.193 0.005 1
1 848 . 10 1 1 A 69 69 ASP N N 69 121.078 119.937 1.141 1
1 849 . 10 1 1 A 70 70 GLU H H 70 8.905 8.319 0.586 1
1 850 . 10 1 1 A 70 70 GLU HA H 70 4.110 3.993 0.117 1
1 855 . 10 1 1 A 70 70 GLU C C 70 178.745 178.762 -0.017 1
1 856 . 10 1 1 A 70 70 GLU CA C 70 59.956 59.686 0.270 1
1 857 . 10 1 1 A 70 70 GLU CB C 70 28.534 29.106 -0.572 1
1 859 . 10 1 1 A 70 70 GLU N N 70 120.998 120.183 0.815 1
1 860 . 10 1 1 A 71 71 GLN H H 71 8.453 7.860 0.593 1
1 861 . 10 1 1 A 71 71 GLN HA H 71 4.106 4.071 0.035 1
1 868 . 10 1 1 A 71 71 GLN C C 71 178.164 178.577 -0.413 1
1 869 . 10 1 1 A 71 71 GLN CA C 71 59.350 58.513 0.837 1
1 870 . 10 1 1 A 71 71 GLN CB C 71 29.682 28.497 1.185 1
1 872 . 10 1 1 A 71 71 GLN N N 71 121.273 118.615 2.658 1
1 874 . 10 1 1 A 72 72 THR H H 72 8.267 8.173 0.094 1
1 875 . 10 1 1 A 72 72 THR HA H 72 3.524 3.899 -0.375 1
1 880 . 10 1 1 A 72 72 THR C C 72 175.546 176.207 -0.661 1
1 881 . 10 1 1 A 72 72 THR CA C 72 67.395 66.543 0.852 1
1 882 . 10 1 1 A 72 72 THR CB C 72 68.145 68.922 -0.777 1
1 884 . 10 1 1 A 72 72 THR N N 72 115.641 117.031 -1.390 1
1 885 . 10 1 1 A 73 73 SER H H 73 8.265 8.481 -0.216 1
1 886 . 10 1 1 A 73 73 SER HA H 73 4.029 4.121 -0.092 1
1 889 . 10 1 1 A 73 73 SER C C 73 176.825 177.359 -0.534 1
1 890 . 10 1 1 A 73 73 SER CA C 73 61.746 61.342 0.404 1
1 891 . 10 1 1 A 73 73 SER CB C 73 62.746 62.911 -0.165 1
1 892 . 10 1 1 A 73 73 SER N N 73 115.814 115.096 0.718 1
1 893 . 10 1 1 A 74 74 GLN H H 74 8.119 8.214 -0.095 1
1 894 . 10 1 1 A 74 74 GLN HA H 74 4.090 4.009 0.081 1
1 901 . 10 1 1 A 74 74 GLN C C 74 178.630 177.978 0.652 1
1 902 . 10 1 1 A 74 74 GLN CA C 74 58.903 58.351 0.552 1
1 903 . 10 1 1 A 74 74 GLN CB C 74 27.943 28.910 -0.967 1
1 905 . 10 1 1 A 74 74 GLN N N 74 121.446 120.614 0.832 1
1 907 . 10 1 1 A 75 75 ALA H H 75 8.210 7.825 0.385 1
1 908 . 10 1 1 A 75 75 ALA HA H 75 3.879 4.051 -0.172 1
1 912 . 10 1 1 A 75 75 ALA C C 75 178.843 179.825 -0.982 1
1 913 . 10 1 1 A 75 75 ALA CA C 75 54.959 55.170 -0.211 1
1 914 . 10 1 1 A 75 75 ALA CB C 75 20.226 18.337 1.889 1
1 915 . 10 1 1 A 75 75 ALA N N 75 121.007 121.843 -0.836 1
1 916 . 10 1 1 A 76 76 VAL H H 76 8.257 8.048 0.209 1
1 917 . 10 1 1 A 76 76 VAL HA H 76 3.472 3.465 0.007 1
1 925 . 10 1 1 A 76 76 VAL C C 76 177.639 178.017 -0.378 1
1 926 . 10 1 1 A 76 76 VAL CA C 76 67.080 66.971 0.109 1
1 927 . 10 1 1 A 76 76 VAL CB C 76 30.945 31.580 -0.635 1
1 930 . 10 1 1 A 76 76 VAL N N 76 116.281 119.254 -2.973 1
1 931 . 10 1 1 A 77 77 ASN H H 77 8.190 8.240 -0.050 1
1 932 . 10 1 1 A 77 77 ASN HA H 77 4.430 4.367 0.063 1
1 937 . 10 1 1 A 77 77 ASN C C 77 178.638 177.885 0.753 1
1 938 . 10 1 1 A 77 77 ASN CA C 77 56.666 56.691 -0.025 1
1 939 . 10 1 1 A 77 77 ASN CB C 77 37.950 39.263 -1.313 1
1 940 . 10 1 1 A 77 77 ASN N N 77 118.786 118.721 0.065 1
1 942 . 10 1 1 A 78 78 LEU H H 78 8.222 8.205 0.017 1
1 943 . 10 1 1 A 78 78 LEU HA H 78 4.045 3.996 0.049 1
1 953 . 10 1 1 A 78 78 LEU C C 78 180.246 179.484 0.762 1
1 954 . 10 1 1 A 78 78 LEU CA C 78 57.926 58.412 -0.486 1
1 955 . 10 1 1 A 78 78 LEU CB C 78 41.892 41.566 0.326 1
1 959 . 10 1 1 A 78 78 LEU N N 78 121.759 120.030 1.729 1
1 960 . 10 1 1 A 79 79 LEU H H 79 7.887 8.335 -0.448 1
1 961 . 10 1 1 A 79 79 LEU HA H 79 4.051 4.009 0.042 1
1 971 . 10 1 1 A 79 79 LEU C C 79 179.804 179.885 -0.081 1
1 972 . 10 1 1 A 79 79 LEU CA C 79 57.788 58.314 -0.526 1
1 973 . 10 1 1 A 79 79 LEU CB C 79 41.616 41.155 0.461 1
1 977 . 10 1 1 A 79 79 LEU N N 79 118.127 118.984 -0.857 1
1 978 . 10 1 1 A 80 80 ARG H H 80 8.942 8.280 0.662 1
1 979 . 10 1 1 A 80 80 ARG HA H 80 4.516 4.658 -0.142 1
1 987 . 10 1 1 A 80 80 ARG C C 80 181.546 178.521 3.025 1
1 988 . 10 1 1 A 80 80 ARG CA C 80 60.006 58.666 1.340 1
1 989 . 10 1 1 A 80 80 ARG CB C 80 29.510 29.858 -0.348 1
1 992 . 10 1 1 A 80 80 ARG N N 80 120.974 118.985 1.989 1
1 994 . 10 1 1 A 81 81 SER H H 81 8.394 8.329 0.065 1
1 995 . 10 1 1 A 81 81 SER HA H 81 4.307 4.221 0.086 1
1 998 . 10 1 1 A 81 81 SER C C 81 174.601 175.812 -1.211 1
1 999 . 10 1 1 A 81 81 SER CA C 81 61.570 61.234 0.336 1
1 1000 . 10 1 1 A 81 81 SER CB C 81 62.832 63.059 -0.227 1
1 1001 . 10 1 1 A 81 81 SER N N 81 116.329 115.275 1.054 1
1 1002 . 10 1 1 A 82 82 ALA H H 82 7.507 7.566 -0.059 1
1 1003 . 10 1 1 A 82 82 ALA HA H 82 4.546 4.387 0.159 1
1 1007 . 10 1 1 A 82 82 ALA C C 82 176.449 178.397 -1.948 1
1 1008 . 10 1 1 A 82 82 ALA CA C 82 51.759 51.892 -0.133 1
1 1009 . 10 1 1 A 82 82 ALA CB C 82 18.850 18.793 0.057 1
1 1010 . 10 1 1 A 82 82 ALA N N 82 122.576 120.217 2.359 1
1 1011 . 10 1 1 A 83 83 GLY H H 83 7.678 8.014 -0.336 1
1 1012 . 10 1 1 A 83 83 GLY HA2 H 83 3.623 3.838 -0.215 1
1 1013 . 10 1 1 A 83 83 GLY HA3 H 83 4.217 3.922 0.295 1
1 1014 . 10 1 1 A 83 83 GLY C C 83 174.557 174.488 0.069 1
1 1015 . 10 1 1 A 83 83 GLY CA C 83 44.741 45.135 -0.394 1
1 1016 . 10 1 1 A 83 83 GLY N N 83 104.117 107.444 -3.327 1
1 1017 . 10 1 1 A 84 84 PHE H H 84 7.923 7.649 0.274 1
1 1018 . 10 1 1 A 84 84 PHE HA H 84 4.254 4.466 -0.212 1
1 1026 . 10 1 1 A 84 84 PHE C C 84 176.479 175.901 0.578 1
1 1027 . 10 1 1 A 84 84 PHE CA C 84 60.127 59.389 0.738 1
1 1028 . 10 1 1 A 84 84 PHE CB C 84 36.999 38.851 -1.852 1
1 1034 . 10 1 1 A 84 84 PHE N N 84 119.861 119.653 0.208 1
1 1035 . 10 1 1 A 85 85 GLU H H 85 7.730 9.089 -1.359 1
1 1036 . 10 1 1 A 85 85 GLU HA H 85 3.965 4.274 -0.309 1
1 1041 . 10 1 1 A 85 85 GLU C C 85 176.966 176.823 0.143 1
1 1042 . 10 1 1 A 85 85 GLU CA C 85 57.841 59.091 -1.250 1
1 1043 . 10 1 1 A 85 85 GLU CB C 85 32.054 30.398 1.656 1
1 1045 . 10 1 1 A 85 85 GLU N N 85 122.200 124.896 -2.696 1
1 1046 . 10 1 1 A 86 86 HIS H H 86 9.957 7.814 2.143 1
1 1047 . 10 1 1 A 86 86 HIS HA H 86 4.988 4.861 0.127 1
1 1052 . 10 1 1 A 86 86 HIS C C 86 171.400 174.266 -2.866 1
1 1053 . 10 1 1 A 86 86 HIS CA C 86 53.063 54.757 -1.694 1
1 1054 . 10 1 1 A 86 86 HIS CB C 86 29.823 28.412 1.411 1
1 1057 . 10 1 1 A 86 86 HIS N N 86 122.245 116.882 5.363 1
1 1060 . 10 1 1 A 87 87 VAL H H 87 8.233 8.833 -0.600 1
1 1061 . 10 1 1 A 87 87 VAL HA H 87 4.934 4.878 0.056 1
1 1069 . 10 1 1 A 87 87 VAL C C 87 175.510 173.937 1.573 1
1 1070 . 10 1 1 A 87 87 VAL CA C 87 59.972 61.020 -1.048 1
1 1071 . 10 1 1 A 87 87 VAL CB C 87 33.883 34.806 -0.923 1
1 1074 . 10 1 1 A 87 87 VAL N N 87 120.946 124.640 -3.694 1
1 1075 . 10 1 1 A 88 88 SER H H 88 8.968 8.949 0.019 1
1 1076 . 10 1 1 A 88 88 SER HA H 88 4.869 5.276 -0.407 1
1 1079 . 10 1 1 A 88 88 SER C C 88 174.093 173.000 1.093 1
1 1080 . 10 1 1 A 88 88 SER CA C 88 55.935 56.150 -0.215 1
1 1081 . 10 1 1 A 88 88 SER CB C 88 66.077 65.341 0.736 1
1 1082 . 10 1 1 A 88 88 SER N N 88 121.913 122.256 -0.343 1
1 1083 . 10 1 1 A 89 89 GLU H H 89 8.628 8.642 -0.014 1
1 1084 . 10 1 1 A 89 89 GLU HA H 89 4.233 4.670 -0.437 1
1 1089 . 10 1 1 A 89 89 GLU C C 89 175.212 175.469 -0.257 1
1 1090 . 10 1 1 A 89 89 GLU CA C 89 55.728 55.862 -0.134 1
1 1091 . 10 1 1 A 89 89 GLU CB C 89 31.640 30.459 1.181 1
1 1093 . 10 1 1 A 89 89 GLU N N 89 125.288 123.215 2.073 1
1 1094 . 10 1 1 A 90 90 LEU H H 90 8.727 9.040 -0.313 1
1 1095 . 10 1 1 A 90 90 LEU HA H 90 4.829 4.943 -0.114 1
1 1105 . 10 1 1 A 90 90 LEU C C 90 175.893 175.634 0.259 1
1 1106 . 10 1 1 A 90 90 LEU CA C 90 53.771 54.627 -0.856 1
1 1107 . 10 1 1 A 90 90 LEU CB C 90 41.511 42.859 -1.348 1
1 1111 . 10 1 1 A 90 90 LEU N N 90 125.766 126.778 -1.012 1
1 1112 . 10 1 1 A 91 91 LYS H H 91 8.715 8.973 -0.258 1
1 1113 . 10 1 1 A 91 91 LYS HA H 91 4.164 3.900 0.264 1
1 1122 . 10 1 1 A 91 91 LYS C C 91 177.680 177.395 0.285 1
1 1123 . 10 1 1 A 91 91 LYS CA C 91 57.796 58.638 -0.842 1
1 1124 . 10 1 1 A 91 91 LYS CB C 91 31.705 32.114 -0.409 1
1 1128 . 10 1 1 A 91 91 LYS N N 91 131.405 127.324 4.081 1
1 1129 . 10 1 1 A 92 92 GLY H H 92 9.408 8.571 0.837 1
1 1130 . 10 1 1 A 92 92 GLY HA2 H 92 3.828 3.999 -0.171 1
1 1131 . 10 1 1 A 92 92 GLY HA3 H 92 4.268 4.002 0.266 1
1 1132 . 10 1 1 A 92 92 GLY C C 92 175.634 174.892 0.742 1
1 1133 . 10 1 1 A 92 92 GLY CA C 92 46.001 45.016 0.985 1
1 1134 . 10 1 1 A 92 92 GLY N N 92 115.262 112.527 2.735 1
1 1135 . 10 1 1 A 93 93 GLY H H 93 7.616 8.836 -1.220 1
1 1136 . 10 1 1 A 93 93 GLY HA2 H 93 3.429 4.054 -0.625 1
1 1137 . 10 1 1 A 93 93 GLY HA3 H 93 4.276 4.123 0.153 1
1 1138 . 10 1 1 A 93 93 GLY C C 93 172.357 174.859 -2.502 1
1 1139 . 10 1 1 A 93 93 GLY CA C 93 46.436 46.323 0.113 1
1 1140 . 10 1 1 A 93 93 GLY N N 93 106.201 109.233 -3.032 1
1 1141 . 10 1 1 A 94 94 LEU H H 94 8.854 8.511 0.343 1
1 1142 . 10 1 1 A 94 94 LEU HA H 94 3.643 4.225 -0.582 1
1 1152 . 10 1 1 A 94 94 LEU C C 94 178.092 178.676 -0.584 1
1 1153 . 10 1 1 A 94 94 LEU CA C 94 56.966 57.896 -0.930 1
1 1154 . 10 1 1 A 94 94 LEU CB C 94 41.937 41.869 0.068 1
1 1158 . 10 1 1 A 94 94 LEU N N 94 124.279 125.782 -1.503 1
1 1159 . 10 1 1 A 95 95 ALA H H 95 8.683 8.325 0.358 1
1 1160 . 10 1 1 A 95 95 ALA HA H 95 4.061 4.026 0.035 1
1 1164 . 10 1 1 A 95 95 ALA C C 95 180.877 179.905 0.972 1
1 1165 . 10 1 1 A 95 95 ALA CA C 95 55.406 55.560 -0.154 1
1 1166 . 10 1 1 A 95 95 ALA CB C 95 18.053 17.857 0.196 1
1 1167 . 10 1 1 A 95 95 ALA N N 95 120.253 120.702 -0.449 1
1 1168 . 10 1 1 A 96 96 ALA H H 96 7.249 7.562 -0.313 1
1 1169 . 10 1 1 A 96 96 ALA HA H 96 4.132 4.087 0.045 1
1 1173 . 10 1 1 A 96 96 ALA C C 96 179.350 179.541 -0.191 1
1 1174 . 10 1 1 A 96 96 ALA CA C 96 54.429 54.959 -0.530 1
1 1175 . 10 1 1 A 96 96 ALA CB C 96 18.580 18.316 0.264 1
1 1176 . 10 1 1 A 96 96 ALA N N 96 121.080 120.263 0.817 1
1 1177 . 10 1 1 A 97 97 TRP H H 97 7.636 8.104 -0.468 1
1 1178 . 10 1 1 A 97 97 TRP HA H 97 4.051 4.155 -0.104 1
1 1187 . 10 1 1 A 97 97 TRP C C 97 178.223 178.471 -0.248 1
1 1188 . 10 1 1 A 97 97 TRP CA C 97 59.343 61.616 -2.273 1
1 1189 . 10 1 1 A 97 97 TRP CB C 97 29.734 29.948 -0.214 1
1 1195 . 10 1 1 A 97 97 TRP N N 97 119.015 121.206 -2.191 1
1 1197 . 10 1 1 A 98 98 LYS H H 98 8.764 8.348 0.416 1
1 1198 . 10 1 1 A 98 98 LYS HA H 98 3.886 4.126 -0.240 1
1 1207 . 10 1 1 A 98 98 LYS C C 98 180.503 179.353 1.150 1
1 1208 . 10 1 1 A 98 98 LYS CA C 98 59.365 59.354 0.011 1
1 1209 . 10 1 1 A 98 98 LYS CB C 98 31.899 32.512 -0.613 1
1 1213 . 10 1 1 A 98 98 LYS N N 98 117.855 118.943 -1.088 1
1 1214 . 10 1 1 A 99 99 ALA H H 99 7.802 8.457 -0.655 1
1 1215 . 10 1 1 A 99 99 ALA HA H 99 4.139 4.117 0.022 1
1 1219 . 10 1 1 A 99 99 ALA C C 99 179.188 179.189 -0.001 1
1 1220 . 10 1 1 A 99 99 ALA CA C 99 54.521 54.947 -0.426 1
1 1221 . 10 1 1 A 99 99 ALA CB C 99 18.016 18.335 -0.319 1
1 1222 . 10 1 1 A 99 99 ALA N N 99 121.263 122.146 -0.883 1
1 1223 . 10 1 1 A 100 100 ILE H H 100 6.803 7.706 -0.903 1
1 1224 . 10 1 1 A 100 100 ILE HA H 100 4.509 4.116 0.393 1
1 1234 . 10 1 1 A 100 100 ILE C C 100 175.810 176.476 -0.666 1
1 1235 . 10 1 1 A 100 100 ILE CA C 100 59.964 60.692 -0.728 1
1 1236 . 10 1 1 A 100 100 ILE CB C 100 37.866 37.235 0.631 1
1 1240 . 10 1 1 A 100 100 ILE N N 100 107.978 111.226 -3.248 1
1 1241 . 10 1 1 A 101 101 GLY H H 101 7.741 7.858 -0.117 1
1 1242 . 10 1 1 A 101 101 GLY HA2 H 101 3.618 3.910 -0.292 1
1 1243 . 10 1 1 A 101 101 GLY HA3 H 101 3.866 3.917 -0.051 1
1 1244 . 10 1 1 A 101 101 GLY C C 101 175.319 174.979 0.340 1
1 1245 . 10 1 1 A 101 101 GLY CA C 101 45.444 46.664 -1.220 1
1 1246 . 10 1 1 A 101 101 GLY N N 101 109.732 111.069 -1.337 1
1 1247 . 10 1 1 A 102 102 GLY H H 102 7.823 7.962 -0.139 1
1 1248 . 10 1 1 A 102 102 GLY HA2 H 102 2.942 3.223 -0.281 1
1 1249 . 10 1 1 A 102 102 GLY HA3 H 102 2.942 3.785 -0.843 1
1 1250 . 10 1 1 A 102 102 GLY C C 102 171.578 172.947 -1.369 1
1 1251 . 10 1 1 A 102 102 GLY CA C 102 41.964 43.857 -1.893 1
1 1252 . 10 1 1 A 102 102 GLY N N 102 108.608 107.389 1.219 1
1 1253 . 10 1 1 A 103 103 PRO HA H 103 4.643 4.736 -0.093 1
1 1260 . 10 1 1 A 103 103 PRO C C 103 178.778 176.676 2.102 1
1 1261 . 10 1 1 A 103 103 PRO CA C 103 62.843 63.157 -0.314 1
1 1262 . 10 1 1 A 103 103 PRO CB C 103 32.263 31.778 0.485 1
1 1265 . 10 1 1 A 104 104 THR H H 104 8.760 8.472 0.288 1
1 1266 . 10 1 1 A 104 104 THR HA H 104 5.017 5.303 -0.286 1
1 1271 . 10 1 1 A 104 104 THR C C 104 172.498 173.104 -0.606 1
1 1272 . 10 1 1 A 104 104 THR CA C 104 59.729 59.616 0.113 1
1 1273 . 10 1 1 A 104 104 THR CB C 104 72.479 72.160 0.319 1
1 1275 . 10 1 1 A 104 104 THR N N 104 116.086 112.480 3.606 1
1 1276 . 10 1 1 A 105 105 GLU H H 105 8.267 8.608 -0.341 1
1 1277 . 10 1 1 A 105 105 GLU HA H 105 4.499 4.759 -0.260 1
1 1282 . 10 1 1 A 105 105 GLU C C 105 173.848 174.654 -0.806 1
1 1283 . 10 1 1 A 105 105 GLU CA C 105 54.647 55.619 -0.972 1
1 1284 . 10 1 1 A 105 105 GLU CB C 105 34.227 32.617 1.610 1
1 1286 . 10 1 1 A 105 105 GLU N N 105 117.663 120.506 -2.843 1
1 1287 . 10 1 1 A 106 106 GLY H H 106 8.207 8.274 -0.067 1
1 1288 . 10 1 1 A 106 106 GLY HA2 H 106 3.873 4.178 -0.305 1
1 1289 . 10 1 1 A 106 106 GLY HA3 H 106 3.873 4.257 -0.384 1
1 1290 . 10 1 1 A 106 106 GLY C C 106 173.052 174.579 -1.527 1
1 1291 . 10 1 1 A 106 106 GLY CA C 106 44.313 45.614 -1.301 1
1 1292 . 10 1 1 A 106 106 GLY N N 106 108.896 111.112 -2.216 1
1 1293 . 10 1 1 A 107 107 ILE H H 107 8.333 9.370 -1.037 1
1 1294 . 10 1 1 A 107 107 ILE HA H 107 4.110 3.822 0.288 1
1 1304 . 10 1 1 A 107 107 ILE C C 107 176.773 177.630 -0.857 1
1 1305 . 10 1 1 A 107 107 ILE CA C 107 62.404 64.495 -2.091 1
1 1306 . 10 1 1 A 107 107 ILE CB C 107 38.826 37.621 1.205 1
1 1310 . 10 1 1 A 107 107 ILE N N 107 119.410 120.894 -1.484 1
1 1311 . 10 1 1 A 108 108 ILE H H 108 8.369 7.837 0.532 1
1 1312 . 10 1 1 A 108 108 ILE HA H 108 4.167 3.760 0.407 1
1 1322 . 10 1 1 A 108 108 ILE C C 108 176.821 178.531 -1.710 1
1 1323 . 10 1 1 A 108 108 ILE CA C 108 61.060 64.161 -3.101 1
1 1324 . 10 1 1 A 108 108 ILE CB C 108 37.984 36.585 1.399 1
1 1328 . 10 1 1 A 108 108 ILE N N 108 122.390 120.324 2.066 1
1 1329 . 10 1 1 A 109 109 GLU H H 109 8.127 8.038 0.089 1
1 1330 . 10 1 1 A 109 109 GLU HA H 109 4.218 4.297 -0.079 1
1 1335 . 10 1 1 A 109 109 GLU C C 109 176.438 178.627 -2.189 1
1 1336 . 10 1 1 A 109 109 GLU CA C 109 56.548 58.475 -1.927 1
1 1337 . 10 1 1 A 109 109 GLU CB C 109 30.178 28.844 1.334 1
1 1339 . 10 1 1 A 109 109 GLU N N 109 123.739 121.616 2.123 1
1 1340 . 10 1 1 A 110 110 SER H H 110 8.291 7.413 0.878 1
1 1341 . 10 1 1 A 110 110 SER HA H 110 4.446 4.351 0.095 1
1 1344 . 10 1 1 A 110 110 SER C C 110 174.330 174.129 0.201 1
1 1345 . 10 1 1 A 110 110 SER CA C 110 58.252 60.080 -1.828 1
1 1346 . 10 1 1 A 110 110 SER CB C 110 63.598 63.568 0.030 1
1 1347 . 10 1 1 A 110 110 SER N N 110 116.242 114.104 2.138 1
1 1348 . 10 1 1 A 111 111 ARG H H 111 8.238 7.228 1.010 1
1 1349 . 10 1 1 A 111 111 ARG HA H 111 4.426 4.678 -0.252 1
1 1357 . 10 1 1 A 111 111 ARG C C 111 176.113 173.629 2.484 1
1 1358 . 10 1 1 A 111 111 ARG CA C 111 55.848 54.587 1.261 1
1 1359 . 10 1 1 A 111 111 ARG CB C 111 30.755 32.933 -2.178 1
1 1362 . 10 1 1 A 111 111 ARG N N 111 122.827 117.204 5.623 1
1 1364 . 10 1 1 A 112 112 THR H H 112 8.229 8.750 -0.521 1
1 1365 . 10 1 1 A 112 112 THR HA H 112 4.573 4.837 -0.264 1
1 1370 . 10 1 1 A 112 112 THR C C 112 172.790 173.120 -0.330 1
1 1371 . 10 1 1 A 112 112 THR CA C 112 59.716 58.353 1.363 1
1 1372 . 10 1 1 A 112 112 THR CB C 112 69.503 70.096 -0.593 1
1 1374 . 10 1 1 A 112 112 THR N N 112 117.863 116.425 1.438 1
1 1375 . 10 1 1 A 113 113 PRO HA H 113 4.388 4.927 -0.539 1
1 1382 . 10 1 1 A 113 113 PRO C C 113 176.605 176.373 0.232 1
1 1383 . 10 1 1 A 113 113 PRO CA C 113 63.131 62.298 0.833 1
1 1384 . 10 1 1 A 113 113 PRO CB C 113 31.931 31.907 0.024 1
1 1387 . 10 1 1 A 114 114 ALA H H 114 8.422 8.521 -0.099 1
1 1388 . 10 1 1 A 114 114 ALA HA H 114 4.284 4.998 -0.714 1
1 1392 . 10 1 1 A 114 114 ALA C C 114 178.251 176.113 2.138 1
1 1393 . 10 1 1 A 114 114 ALA CA C 114 52.518 51.537 0.981 1
1 1394 . 10 1 1 A 114 114 ALA CB C 114 19.131 22.100 -2.969 1
1 1395 . 10 1 1 A 114 114 ALA N N 114 124.466 124.534 -0.068 1
1 1396 . 10 1 1 A 115 115 GLY H H 115 8.380 8.368 0.012 1
1 1397 . 10 1 1 A 115 115 GLY HA2 H 115 3.956 4.115 -0.159 1
1 1398 . 10 1 1 A 115 115 GLY HA3 H 115 3.934 4.115 -0.181 1
1 1399 . 10 1 1 A 115 115 GLY C C 115 174.020 172.229 1.791 1
1 1400 . 10 1 1 A 115 115 GLY CA C 115 45.095 45.866 -0.771 1
1 1401 . 10 1 1 A 115 115 GLY N N 115 108.587 107.228 1.359 1
1 1402 . 10 1 1 A 116 116 ALA H H 116 8.127 8.754 -0.627 1
1 1403 . 10 1 1 A 116 116 ALA HA H 116 4.292 5.041 -0.749 1
1 1407 . 10 1 1 A 116 116 ALA C C 116 177.565 175.437 2.128 1
1 1408 . 10 1 1 A 116 116 ALA CA C 116 52.504 51.335 1.169 1
1 1409 . 10 1 1 A 116 116 ALA CB C 116 19.187 23.292 -4.105 1
1 1410 . 10 1 1 A 116 116 ALA N N 116 123.523 127.041 -3.518 1
1 1411 . 10 1 1 A 117 117 ASP H H 117 8.316 8.876 -0.560 1
1 1412 . 10 1 1 A 117 117 ASP HA H 117 4.555 5.561 -1.006 1
1 1415 . 10 1 1 A 117 117 ASP C C 117 175.899 174.211 1.688 1
1 1416 . 10 1 1 A 117 117 ASP CA C 117 54.254 52.517 1.737 1
1 1417 . 10 1 1 A 117 117 ASP CB C 117 40.962 45.022 -4.060 1
1 1418 . 10 1 1 A 117 117 ASP N N 117 118.783 117.567 1.216 1
1 1419 . 10 1 1 A 118 118 ASP H H 118 8.083 8.936 -0.853 1
1 1420 . 10 1 1 A 118 118 ASP HA H 118 4.529 5.673 -1.144 1
1 1423 . 10 1 1 A 118 118 ASP C C 118 176.278 174.322 1.956 1
1 1424 . 10 1 1 A 118 118 ASP CA C 118 54.202 52.766 1.436 1
1 1425 . 10 1 1 A 118 118 ASP CB C 118 40.933 44.459 -3.526 1
1 1426 . 10 1 1 A 118 118 ASP N N 118 119.935 119.664 0.271 1
1 1427 . 10 1 1 A 119 119 TYR H H 119 8.107 8.689 -0.582 1
1 1428 . 10 1 1 A 119 119 TYR HA H 119 4.450 4.866 -0.416 1
1 1435 . 10 1 1 A 119 119 TYR C C 119 175.825 173.422 2.403 1
1 1436 . 10 1 1 A 119 119 TYR CA C 119 58.350 58.171 0.179 1
1 1437 . 10 1 1 A 119 119 TYR CB C 119 38.260 40.093 -1.833 1
1 1442 . 10 1 1 A 119 119 TYR N N 119 120.415 122.345 -1.930 1
1 1443 . 10 1 1 A 120 120 ASN H H 120 8.276 9.068 -0.792 1
1 1444 . 10 1 1 A 120 120 ASN HA H 120 4.615 5.039 -0.424 1
1 1449 . 10 1 1 A 120 120 ASN C C 120 175.102 173.404 1.698 1
1 1450 . 10 1 1 A 120 120 ASN CA C 120 53.396 51.593 1.803 1
1 1451 . 10 1 1 A 120 120 ASN CB C 120 38.712 38.666 0.046 1
1 1452 . 10 1 1 A 120 120 ASN N N 120 119.834 126.958 -7.124 1
1 1454 . 10 1 1 A 121 121 VAL H H 121 7.897 7.636 0.261 1
1 1455 . 10 1 1 A 121 121 VAL HA H 121 4.009 4.622 -0.613 1
1 1463 . 10 1 1 A 121 121 VAL C C 121 176.484 174.507 1.977 1
1 1464 . 10 1 1 A 121 121 VAL CA C 121 62.950 60.818 2.132 1
1 1465 . 10 1 1 A 121 121 VAL CB C 121 32.326 33.387 -1.061 1
1 1468 . 10 1 1 A 121 121 VAL N N 121 120.109 123.557 -3.448 1
1 1469 . 10 1 1 A 122 122 VAL H H 122 8.091 8.902 -0.811 1
1 1470 . 10 1 1 A 122 122 VAL HA H 122 4.014 4.680 -0.666 1
1 1478 . 10 1 1 A 122 122 VAL C C 122 176.568 175.202 1.366 1
1 1479 . 10 1 1 A 122 122 VAL CA C 122 62.924 61.049 1.875 1
1 1480 . 10 1 1 A 122 122 VAL CB C 122 32.279 32.770 -0.491 1
1 1483 . 10 1 1 A 122 122 VAL N N 122 122.407 129.502 -7.095 1
1 1484 . 10 1 1 A 123 123 SER H H 123 8.228 8.796 -0.568 1
1 1485 . 10 1 1 A 123 123 SER HA H 123 4.385 5.011 -0.626 1
1 1488 . 10 1 1 A 123 123 SER C C 123 174.863 172.689 2.174 1
1 1489 . 10 1 1 A 123 123 SER CA C 123 58.525 57.114 1.411 1
1 1490 . 10 1 1 A 123 123 SER CB C 123 63.450 65.055 -1.605 1
1 1491 . 10 1 1 A 123 123 SER N N 123 118.095 121.911 -3.816 1
1 1492 . 10 1 1 A 124 124 ARG H H 124 8.208 9.033 -0.825 1
1 1493 . 10 1 1 A 124 124 ARG HA H 124 4.297 5.075 -0.778 1
1 1500 . 10 1 1 A 124 124 ARG C C 124 176.328 174.677 1.651 1
1 1501 . 10 1 1 A 124 124 ARG CA C 124 56.408 54.546 1.862 1
1 1502 . 10 1 1 A 124 124 ARG CB C 124 30.480 33.651 -3.171 1
1 1505 . 10 1 1 A 124 124 ARG N N 124 122.632 125.914 -3.282 1
1 1506 . 10 1 1 A 125 125 LEU H H 125 8.081 9.083 -1.002 1
1 1507 . 10 1 1 A 125 125 LEU HA H 125 4.262 5.000 -0.738 1
1 1517 . 10 1 1 A 125 125 LEU C C 125 177.375 175.306 2.069 1
1 1518 . 10 1 1 A 125 125 LEU CA C 125 55.282 53.961 1.321 1
1 1519 . 10 1 1 A 125 125 LEU CB C 125 42.042 44.138 -2.096 1
1 1523 . 10 1 1 A 125 125 LEU N N 125 121.964 125.013 -3.049 1
1 1524 . 10 1 1 A 126 126 GLU H H 126 8.232 8.980 -0.748 1
1 1525 . 10 1 1 A 126 126 GLU HA H 126 4.179 5.116 -0.937 1
1 1530 . 10 1 1 A 126 126 GLU C C 126 176.238 174.712 1.526 1
1 1531 . 10 1 1 A 126 126 GLU CA C 126 56.451 54.689 1.762 1
1 1532 . 10 1 1 A 126 126 GLU CB C 126 30.131 32.118 -1.987 1
1 14 . 11 1 1 A 2 2 GLU H H 2 8.824 7.923 0.901 1
1 15 . 11 1 1 A 2 2 GLU HA H 2 4.687 4.448 0.239 1
1 20 . 11 1 1 A 2 2 GLU C C 2 175.506 175.898 -0.392 1
1 21 . 11 1 1 A 2 2 GLU CA C 2 54.603 57.891 -3.288 1
1 22 . 11 1 1 A 2 2 GLU CB C 2 29.310 28.604 0.706 1
1 24 . 11 1 1 A 2 2 GLU N N 2 125.698 117.355 8.343 1
1 25 . 11 1 1 A 3 3 PRO HA H 3 4.398 4.393 0.005 1
1 32 . 11 1 1 A 3 3 PRO C C 3 176.267 176.615 -0.348 1
1 33 . 11 1 1 A 3 3 PRO CA C 3 64.781 64.981 -0.200 1
1 34 . 11 1 1 A 3 3 PRO CB C 3 31.918 32.053 -0.135 1
1 37 . 11 1 1 A 4 4 GLN H H 4 7.738 7.901 -0.163 1
1 38 . 11 1 1 A 4 4 GLN HA H 4 4.908 4.910 -0.002 1
1 45 . 11 1 1 A 4 4 GLN C C 4 175.006 174.132 0.874 1
1 46 . 11 1 1 A 4 4 GLN CA C 4 54.697 54.562 0.135 1
1 47 . 11 1 1 A 4 4 GLN CB C 4 31.196 31.872 -0.676 1
1 49 . 11 1 1 A 4 4 GLN N N 4 114.971 118.214 -3.243 1
1 51 . 11 1 1 A 5 5 SER H H 5 9.180 9.088 0.092 1
1 52 . 11 1 1 A 5 5 SER HA H 5 4.825 4.957 -0.132 1
1 55 . 11 1 1 A 5 5 SER C C 5 172.669 172.531 0.138 1
1 56 . 11 1 1 A 5 5 SER CA C 5 58.100 57.641 0.459 1
1 57 . 11 1 1 A 5 5 SER CB C 5 65.536 65.432 0.104 1
1 58 . 11 1 1 A 5 5 SER N N 5 117.801 119.879 -2.078 1
1 59 . 11 1 1 A 6 6 ASP H H 6 8.386 8.611 -0.225 1
1 60 . 11 1 1 A 6 6 ASP HA H 6 4.841 4.743 0.098 1
1 63 . 11 1 1 A 6 6 ASP C C 6 177.071 177.374 -0.303 1
1 64 . 11 1 1 A 6 6 ASP CA C 6 53.810 54.432 -0.622 1
1 65 . 11 1 1 A 6 6 ASP CB C 6 42.427 43.226 -0.799 1
1 66 . 11 1 1 A 6 6 ASP N N 6 123.042 125.805 -2.763 1
1 67 . 11 1 1 A 7 7 ALA H H 7 9.312 9.065 0.247 1
1 68 . 11 1 1 A 7 7 ALA HA H 7 4.036 4.204 -0.168 1
1 72 . 11 1 1 A 7 7 ALA C C 7 178.859 179.522 -0.663 1
1 73 . 11 1 1 A 7 7 ALA CA C 7 55.703 55.693 0.010 1
1 74 . 11 1 1 A 7 7 ALA CB C 7 17.952 18.330 -0.378 1
1 75 . 11 1 1 A 7 7 ALA N N 7 123.976 128.382 -4.406 1
1 76 . 11 1 1 A 8 8 HIS H H 8 8.537 7.928 0.609 1
1 77 . 11 1 1 A 8 8 HIS HA H 8 3.950 4.117 -0.167 1
1 82 . 11 1 1 A 8 8 HIS C C 8 178.023 176.779 1.244 1
1 83 . 11 1 1 A 8 8 HIS CA C 8 59.778 59.668 0.110 1
1 84 . 11 1 1 A 8 8 HIS CB C 8 29.039 29.556 -0.517 1
1 87 . 11 1 1 A 8 8 HIS N N 8 114.303 118.095 -3.792 1
1 90 . 11 1 1 A 9 9 VAL H H 9 7.567 7.835 -0.268 1
1 91 . 11 1 1 A 9 9 VAL HA H 9 3.709 3.351 0.358 1
1 99 . 11 1 1 A 9 9 VAL C C 9 178.518 178.191 0.327 1
1 100 . 11 1 1 A 9 9 VAL CA C 9 65.508 66.271 -0.763 1
1 101 . 11 1 1 A 9 9 VAL CB C 9 31.604 31.610 -0.006 1
1 104 . 11 1 1 A 9 9 VAL N N 9 121.235 119.354 1.881 1
1 105 . 11 1 1 A 10 10 LEU H H 10 7.219 8.132 -0.913 1
1 106 . 11 1 1 A 10 10 LEU HA H 10 3.716 3.890 -0.174 1
1 116 . 11 1 1 A 10 10 LEU C C 10 177.133 178.113 -0.980 1
1 117 . 11 1 1 A 10 10 LEU CA C 10 57.133 58.367 -1.234 1
1 118 . 11 1 1 A 10 10 LEU CB C 10 40.756 41.312 -0.556 1
1 122 . 11 1 1 A 10 10 LEU N N 10 120.890 121.940 -1.050 1
1 123 . 11 1 1 A 11 11 LYS H H 11 8.568 8.197 0.371 1
1 124 . 11 1 1 A 11 11 LYS HA H 11 3.943 3.933 0.010 1
1 133 . 11 1 1 A 11 11 LYS C C 11 178.143 179.179 -1.036 1
1 134 . 11 1 1 A 11 11 LYS CA C 11 60.388 59.652 0.736 1
1 135 . 11 1 1 A 11 11 LYS CB C 11 32.354 31.790 0.564 1
1 139 . 11 1 1 A 11 11 LYS N N 11 120.361 119.867 0.494 1
1 140 . 11 1 1 A 12 12 SER H H 12 7.865 8.087 -0.222 1
1 141 . 11 1 1 A 12 12 SER HA H 12 4.225 4.334 -0.109 1
1 144 . 11 1 1 A 12 12 SER C C 12 175.839 177.311 -1.472 1
1 145 . 11 1 1 A 12 12 SER CA C 12 61.626 61.276 0.350 1
1 146 . 11 1 1 A 12 12 SER CB C 12 62.749 62.130 0.619 1
1 147 . 11 1 1 A 12 12 SER N N 12 113.173 115.602 -2.429 1
1 148 . 11 1 1 A 13 13 ARG H H 13 7.701 7.221 0.480 1
1 149 . 11 1 1 A 13 13 ARG HA H 13 3.827 4.230 -0.403 1
1 157 . 11 1 1 A 13 13 ARG C C 13 178.606 179.360 -0.754 1
1 158 . 11 1 1 A 13 13 ARG CA C 13 58.926 58.898 0.028 1
1 159 . 11 1 1 A 13 13 ARG CB C 13 29.616 29.568 0.048 1
1 162 . 11 1 1 A 13 13 ARG N N 13 122.104 122.775 -0.671 1
1 164 . 11 1 1 A 14 14 LEU H H 14 8.308 8.438 -0.130 1
1 165 . 11 1 1 A 14 14 LEU HA H 14 4.219 4.070 0.149 1
1 175 . 11 1 1 A 14 14 LEU C C 14 178.590 178.867 -0.277 1
1 176 . 11 1 1 A 14 14 LEU CA C 14 57.904 58.100 -0.196 1
1 177 . 11 1 1 A 14 14 LEU CB C 14 42.627 41.750 0.877 1
1 181 . 11 1 1 A 14 14 LEU N N 14 119.549 120.398 -0.849 1
1 182 . 11 1 1 A 15 15 GLU H H 15 7.824 8.144 -0.320 1
1 183 . 11 1 1 A 15 15 GLU HA H 15 3.998 4.199 -0.201 1
1 188 . 11 1 1 A 15 15 GLU C C 15 177.805 177.732 0.073 1
1 189 . 11 1 1 A 15 15 GLU CA C 15 58.219 58.582 -0.363 1
1 190 . 11 1 1 A 15 15 GLU CB C 15 29.865 30.528 -0.663 1
1 192 . 11 1 1 A 15 15 GLU N N 15 116.921 116.213 0.708 1
1 193 . 11 1 1 A 16 16 TRP H H 16 7.905 8.499 -0.594 1
1 194 . 11 1 1 A 16 16 TRP HA H 16 4.895 4.916 -0.021 1
1 203 . 11 1 1 A 16 16 TRP C C 16 176.778 176.506 0.272 1
1 204 . 11 1 1 A 16 16 TRP CA C 16 57.033 57.623 -0.590 1
1 205 . 11 1 1 A 16 16 TRP CB C 16 30.513 30.756 -0.243 1
1 211 . 11 1 1 A 16 16 TRP N N 16 116.589 115.456 1.133 1
1 213 . 11 1 1 A 17 17 GLY H H 17 8.007 8.006 0.001 1
1 214 . 11 1 1 A 17 17 GLY HA2 H 17 3.979 4.138 -0.159 1
1 215 . 11 1 1 A 17 17 GLY HA3 H 17 4.200 4.167 0.033 1
1 216 . 11 1 1 A 17 17 GLY C C 17 173.650 172.906 0.744 1
1 217 . 11 1 1 A 17 17 GLY CA C 17 44.786 44.429 0.357 1
1 218 . 11 1 1 A 17 17 GLY N N 17 108.398 108.054 0.344 1
1 219 . 11 1 1 A 18 18 GLU H H 18 8.483 8.834 -0.351 1
1 220 . 11 1 1 A 18 18 GLU HA H 18 4.534 4.932 -0.398 1
1 225 . 11 1 1 A 18 18 GLU C C 18 176.535 175.706 0.829 1
1 226 . 11 1 1 A 18 18 GLU CA C 18 54.615 52.675 1.940 1
1 227 . 11 1 1 A 18 18 GLU CB C 18 29.654 33.019 -3.365 1
1 229 . 11 1 1 A 18 18 GLU N N 18 121.984 122.744 -0.760 1
1 230 . 11 1 1 A 19 19 PRO HA H 19 4.549 3.919 0.630 1
1 237 . 11 1 1 A 19 19 PRO C C 19 176.737 176.555 0.182 1
1 238 . 11 1 1 A 19 19 PRO CA C 19 63.685 63.597 0.088 1
1 239 . 11 1 1 A 19 19 PRO CB C 19 30.940 32.074 -1.134 1
1 242 . 11 1 1 A 20 20 ALA H H 20 8.386 8.045 0.341 1
1 243 . 11 1 1 A 20 20 ALA HA H 20 4.536 4.254 0.282 1
1 247 . 11 1 1 A 20 20 ALA C C 20 174.844 176.757 -1.913 1
1 248 . 11 1 1 A 20 20 ALA CA C 20 51.312 53.072 -1.760 1
1 249 . 11 1 1 A 20 20 ALA CB C 20 17.883 19.221 -1.338 1
1 250 . 11 1 1 A 20 20 ALA N N 20 126.537 121.326 5.211 1
1 251 . 11 1 1 A 21 21 PHE H H 21 7.244 6.942 0.302 1
1 252 . 11 1 1 A 21 21 PHE HA H 21 5.485 5.716 -0.231 1
1 260 . 11 1 1 A 21 21 PHE C C 21 173.639 173.468 0.171 1
1 261 . 11 1 1 A 21 21 PHE CA C 21 55.312 55.278 0.034 1
1 262 . 11 1 1 A 21 21 PHE CB C 21 41.581 42.532 -0.951 1
1 268 . 11 1 1 A 21 21 PHE N N 21 115.447 114.965 0.482 1
1 269 . 11 1 1 A 22 22 THR H H 22 9.203 9.356 -0.153 1
1 270 . 11 1 1 A 22 22 THR HA H 22 4.583 5.107 -0.524 1
1 275 . 11 1 1 A 22 22 THR C C 22 171.987 172.977 -0.990 1
1 276 . 11 1 1 A 22 22 THR CA C 22 62.368 60.092 2.276 1
1 277 . 11 1 1 A 22 22 THR CB C 22 72.961 71.390 1.571 1
1 279 . 11 1 1 A 22 22 THR N N 22 119.035 116.947 2.088 1
1 280 . 11 1 1 A 23 23 ILE H H 23 9.318 9.187 0.131 1
1 281 . 11 1 1 A 23 23 ILE HA H 23 5.172 5.294 -0.122 1
1 291 . 11 1 1 A 23 23 ILE C C 23 173.969 175.181 -1.212 1
1 292 . 11 1 1 A 23 23 ILE CA C 23 59.958 59.921 0.037 1
1 293 . 11 1 1 A 23 23 ILE CB C 23 40.273 38.696 1.577 1
1 297 . 11 1 1 A 23 23 ILE N N 23 127.452 128.291 -0.839 1
1 298 . 11 1 1 A 24 24 LEU H H 24 9.522 9.413 0.109 1
1 299 . 11 1 1 A 24 24 LEU HA H 24 4.871 5.060 -0.189 1
1 309 . 11 1 1 A 24 24 LEU C C 24 172.823 174.894 -2.071 1
1 310 . 11 1 1 A 24 24 LEU CA C 24 53.100 53.196 -0.096 1
1 311 . 11 1 1 A 24 24 LEU CB C 24 44.522 43.613 0.909 1
1 315 . 11 1 1 A 24 24 LEU N N 24 127.148 128.150 -1.002 1
1 316 . 11 1 1 A 25 25 ASP H H 25 8.325 8.886 -0.561 1
1 317 . 11 1 1 A 25 25 ASP HA H 25 4.112 4.233 -0.121 1
1 320 . 11 1 1 A 25 25 ASP C C 25 177.457 176.800 0.657 1
1 321 . 11 1 1 A 25 25 ASP CA C 25 51.097 52.903 -1.806 1
1 322 . 11 1 1 A 25 25 ASP CB C 25 43.056 40.765 2.291 1
1 323 . 11 1 1 A 25 25 ASP N N 25 122.856 124.461 -1.605 1
1 324 . 11 1 1 A 26 26 VAL H H 26 7.924 7.858 0.066 1
1 325 . 11 1 1 A 26 26 VAL HA H 26 4.964 4.741 0.223 1
1 333 . 11 1 1 A 26 26 VAL C C 26 176.585 176.850 -0.265 1
1 334 . 11 1 1 A 26 26 VAL CA C 26 59.554 61.275 -1.721 1
1 335 . 11 1 1 A 26 26 VAL CB C 26 30.002 31.801 -1.799 1
1 338 . 11 1 1 A 26 26 VAL N N 26 117.391 119.975 -2.584 1
1 339 . 11 1 1 A 27 27 ARG H H 27 7.773 7.370 0.403 1
1 340 . 11 1 1 A 27 27 ARG HA H 27 4.418 4.073 0.345 1
1 352 . 11 1 1 A 27 27 ARG C C 27 173.931 175.938 -2.007 1
1 353 . 11 1 1 A 27 27 ARG CA C 27 55.487 58.424 -2.937 1
1 354 . 11 1 1 A 27 27 ARG CB C 27 30.337 30.828 -0.491 1
1 357 . 11 1 1 A 27 27 ARG N N 27 121.126 121.071 0.055 1
1 361 . 11 1 1 A 28 28 ASP H H 28 7.792 7.782 0.010 1
1 362 . 11 1 1 A 28 28 ASP HA H 28 4.431 4.819 -0.388 1
1 365 . 11 1 1 A 28 28 ASP C C 28 176.402 175.942 0.460 1
1 366 . 11 1 1 A 28 28 ASP CA C 28 54.427 53.815 0.612 1
1 367 . 11 1 1 A 28 28 ASP CB C 28 41.498 43.978 -2.480 1
1 368 . 11 1 1 A 28 28 ASP N N 28 115.368 114.809 0.559 1
1 369 . 11 1 1 A 29 29 ARG H H 29 8.781 8.723 0.058 1
1 370 . 11 1 1 A 29 29 ARG HA H 29 3.853 3.920 -0.067 1
1 378 . 11 1 1 A 29 29 ARG C C 29 177.811 177.812 -0.001 1
1 379 . 11 1 1 A 29 29 ARG CA C 29 58.920 59.931 -1.011 1
1 380 . 11 1 1 A 29 29 ARG CB C 29 29.762 30.134 -0.372 1
1 383 . 11 1 1 A 29 29 ARG N N 29 121.538 125.603 -4.065 1
1 385 . 11 1 1 A 30 30 SER H H 30 8.478 8.458 0.020 1
1 386 . 11 1 1 A 30 30 SER HA H 30 4.190 4.195 -0.005 1
1 389 . 11 1 1 A 30 30 SER C C 30 176.814 176.829 -0.015 1
1 390 . 11 1 1 A 30 30 SER CA C 30 61.929 61.288 0.641 1
1 391 . 11 1 1 A 30 30 SER CB C 30 62.051 62.417 -0.366 1
1 392 . 11 1 1 A 30 30 SER N N 30 113.937 115.395 -1.458 1
1 393 . 11 1 1 A 31 31 THR H H 31 7.724 8.088 -0.364 1
1 394 . 11 1 1 A 31 31 THR HA H 31 4.096 3.885 0.211 1
1 399 . 11 1 1 A 31 31 THR C C 31 176.940 176.244 0.696 1
1 400 . 11 1 1 A 31 31 THR CA C 31 66.078 66.566 -0.488 1
1 401 . 11 1 1 A 31 31 THR CB C 31 67.583 68.790 -1.207 1
1 403 . 11 1 1 A 31 31 THR N N 31 120.025 116.610 3.415 1
1 404 . 11 1 1 A 32 32 TYR H H 32 8.186 8.502 -0.316 1
1 405 . 11 1 1 A 32 32 TYR HA H 32 4.009 4.184 -0.175 1
1 410 . 11 1 1 A 32 32 TYR C C 32 180.166 177.511 2.655 1
1 411 . 11 1 1 A 32 32 TYR CA C 32 61.797 62.521 -0.724 1
1 412 . 11 1 1 A 32 32 TYR CB C 32 37.300 38.680 -1.380 1
1 415 . 11 1 1 A 32 32 TYR N N 32 123.636 122.287 1.349 1
1 416 . 11 1 1 A 33 33 ASN H H 33 8.838 8.181 0.657 1
1 417 . 11 1 1 A 33 33 ASN HA H 33 4.435 4.351 0.084 1
1 422 . 11 1 1 A 33 33 ASN C C 33 176.730 178.046 -1.316 1
1 423 . 11 1 1 A 33 33 ASN CA C 33 55.167 56.344 -1.177 1
1 424 . 11 1 1 A 33 33 ASN CB C 33 37.308 37.670 -0.362 1
1 425 . 11 1 1 A 33 33 ASN N N 33 122.000 118.050 3.950 1
1 427 . 11 1 1 A 34 34 ASP H H 34 7.510 8.230 -0.720 1
1 428 . 11 1 1 A 34 34 ASP HA H 34 4.587 4.352 0.235 1
1 431 . 11 1 1 A 34 34 ASP C C 34 177.045 176.760 0.285 1
1 432 . 11 1 1 A 34 34 ASP CA C 34 56.487 56.824 -0.337 1
1 433 . 11 1 1 A 34 34 ASP CB C 34 40.822 41.190 -0.368 1
1 434 . 11 1 1 A 34 34 ASP N N 34 119.832 117.916 1.916 1
1 435 . 11 1 1 A 35 35 GLY H H 35 7.412 7.325 0.087 1
1 436 . 11 1 1 A 35 35 GLY HA2 H 35 3.997 3.843 0.154 1
1 437 . 11 1 1 A 35 35 GLY HA3 H 35 3.997 3.984 0.013 1
1 438 . 11 1 1 A 35 35 GLY C C 35 171.246 171.475 -0.229 1
1 439 . 11 1 1 A 35 35 GLY CA C 35 46.441 45.789 0.652 1
1 440 . 11 1 1 A 35 35 GLY N N 35 106.611 102.951 3.660 1
1 441 . 11 1 1 A 36 36 HIS H H 36 8.441 8.889 -0.448 1
1 442 . 11 1 1 A 36 36 HIS HA H 36 4.782 5.493 -0.711 1
1 447 . 11 1 1 A 36 36 HIS C C 36 172.800 173.963 -1.163 1
1 448 . 11 1 1 A 36 36 HIS CA C 36 53.425 53.297 0.128 1
1 449 . 11 1 1 A 36 36 HIS CB C 36 31.978 32.543 -0.565 1
1 452 . 11 1 1 A 36 36 HIS N N 36 117.929 120.590 -2.661 1
1 455 . 11 1 1 A 37 37 ILE H H 37 8.087 8.743 -0.656 1
1 456 . 11 1 1 A 37 37 ILE HA H 37 3.223 3.639 -0.416 1
1 466 . 11 1 1 A 37 37 ILE C C 37 175.423 176.347 -0.924 1
1 467 . 11 1 1 A 37 37 ILE CA C 37 64.607 62.016 2.591 1
1 468 . 11 1 1 A 37 37 ILE CB C 37 37.269 37.558 -0.289 1
1 472 . 11 1 1 A 37 37 ILE N N 37 120.831 121.438 -0.607 1
1 473 . 11 1 1 A 38 38 MET H H 38 7.625 8.459 -0.834 1
1 474 . 11 1 1 A 38 38 MET HA H 38 3.953 4.261 -0.308 1
1 482 . 11 1 1 A 38 38 MET C C 38 174.632 177.022 -2.390 1
1 483 . 11 1 1 A 38 38 MET CA C 38 57.865 57.046 0.819 1
1 484 . 11 1 1 A 38 38 MET CB C 38 32.882 32.254 0.628 1
1 487 . 11 1 1 A 38 38 MET N N 38 128.683 125.861 2.822 1
1 488 . 11 1 1 A 39 39 GLY H H 39 8.795 9.196 -0.401 1
1 489 . 11 1 1 A 39 39 GLY HA2 H 39 3.727 3.965 -0.238 1
1 490 . 11 1 1 A 39 39 GLY HA3 H 39 4.345 3.971 0.374 1
1 491 . 11 1 1 A 39 39 GLY C C 39 175.442 174.783 0.659 1
1 492 . 11 1 1 A 39 39 GLY CA C 39 44.964 45.408 -0.444 1
1 493 . 11 1 1 A 39 39 GLY N N 39 113.814 114.328 -0.514 1
1 494 . 11 1 1 A 40 40 ALA H H 40 8.566 8.063 0.503 1
1 495 . 11 1 1 A 40 40 ALA HA H 40 4.656 4.483 0.173 1
1 499 . 11 1 1 A 40 40 ALA C C 40 177.459 176.967 0.492 1
1 500 . 11 1 1 A 40 40 ALA CA C 40 52.139 52.243 -0.104 1
1 501 . 11 1 1 A 40 40 ALA CB C 40 20.657 20.278 0.379 1
1 502 . 11 1 1 A 40 40 ALA N N 40 122.444 124.020 -1.576 1
1 503 . 11 1 1 A 41 41 MET H H 41 9.268 9.069 0.199 1
1 504 . 11 1 1 A 41 41 MET HA H 41 4.478 4.802 -0.324 1
1 512 . 11 1 1 A 41 41 MET C C 41 174.328 175.245 -0.917 1
1 513 . 11 1 1 A 41 41 MET CA C 41 54.330 54.064 0.266 1
1 514 . 11 1 1 A 41 41 MET CB C 41 34.473 33.211 1.262 1
1 517 . 11 1 1 A 41 41 MET N N 41 123.908 120.355 3.553 1
1 518 . 11 1 1 A 42 42 ALA H H 42 8.162 8.309 -0.147 1
1 519 . 11 1 1 A 42 42 ALA HA H 42 3.870 3.800 0.070 1
1 523 . 11 1 1 A 42 42 ALA C C 42 177.157 176.088 1.069 1
1 524 . 11 1 1 A 42 42 ALA CA C 42 51.888 50.783 1.105 1
1 525 . 11 1 1 A 42 42 ALA CB C 42 16.282 18.022 -1.740 1
1 526 . 11 1 1 A 42 42 ALA N N 42 126.936 125.195 1.741 1
1 527 . 11 1 1 A 43 43 MET H H 43 8.109 8.128 -0.019 1
1 528 . 11 1 1 A 43 43 MET HA H 43 4.386 4.974 -0.588 1
1 536 . 11 1 1 A 43 43 MET C C 43 168.952 173.671 -4.719 1
1 537 . 11 1 1 A 43 43 MET CA C 43 53.535 52.497 1.038 1
1 538 . 11 1 1 A 43 43 MET CB C 43 34.346 33.004 1.342 1
1 541 . 11 1 1 A 43 43 MET N N 43 125.282 123.561 1.721 1
1 542 . 11 1 1 A 44 44 PRO HA H 44 3.949 4.519 -0.570 1
1 549 . 11 1 1 A 44 44 PRO C C 44 179.070 178.036 1.034 1
1 550 . 11 1 1 A 44 44 PRO CA C 44 62.524 63.116 -0.592 1
1 551 . 11 1 1 A 44 44 PRO CB C 44 32.611 31.996 0.615 1
1 554 . 11 1 1 A 45 45 ILE H H 45 7.764 8.594 -0.830 1
1 555 . 11 1 1 A 45 45 ILE HA H 45 3.851 3.860 -0.009 1
1 565 . 11 1 1 A 45 45 ILE C C 45 175.827 177.370 -1.543 1
1 566 . 11 1 1 A 45 45 ILE CA C 45 64.676 63.871 0.805 1
1 567 . 11 1 1 A 45 45 ILE CB C 45 38.991 37.582 1.409 1
1 571 . 11 1 1 A 45 45 ILE N N 45 121.655 125.587 -3.932 1
1 572 . 11 1 1 A 46 46 GLU H H 46 9.102 8.799 0.303 1
1 573 . 11 1 1 A 46 46 GLU HA H 46 4.056 4.039 0.017 1
1 578 . 11 1 1 A 46 46 GLU C C 46 176.499 177.718 -1.219 1
1 579 . 11 1 1 A 46 46 GLU CA C 46 59.349 59.364 -0.015 1
1 580 . 11 1 1 A 46 46 GLU CB C 46 28.456 29.179 -0.723 1
1 582 . 11 1 1 A 46 46 GLU N N 46 121.004 119.554 1.450 1
1 583 . 11 1 1 A 47 47 ASP H H 47 7.729 8.024 -0.295 1
1 584 . 11 1 1 A 47 47 ASP HA H 47 5.059 4.522 0.537 1
1 587 . 11 1 1 A 47 47 ASP C C 47 175.683 177.676 -1.993 1
1 588 . 11 1 1 A 47 47 ASP CA C 47 53.266 55.950 -2.684 1
1 589 . 11 1 1 A 47 47 ASP CB C 47 42.048 40.792 1.256 1
1 590 . 11 1 1 A 47 47 ASP N N 47 117.171 120.123 -2.952 1
1 591 . 11 1 1 A 48 48 LEU H H 48 7.193 8.158 -0.965 1
1 592 . 11 1 1 A 48 48 LEU HA H 48 3.690 3.871 -0.181 1
1 602 . 11 1 1 A 48 48 LEU C C 48 176.829 178.295 -1.466 1
1 603 . 11 1 1 A 48 48 LEU CA C 48 58.905 58.833 0.072 1
1 604 . 11 1 1 A 48 48 LEU CB C 48 43.334 41.864 1.470 1
1 608 . 11 1 1 A 48 48 LEU N N 48 121.314 121.951 -0.637 1
1 609 . 11 1 1 A 49 49 VAL H H 49 8.507 7.962 0.545 1
1 610 . 11 1 1 A 49 49 VAL HA H 49 3.290 3.531 -0.241 1
1 618 . 11 1 1 A 49 49 VAL C C 49 178.915 178.009 0.906 1
1 619 . 11 1 1 A 49 49 VAL CA C 49 67.886 66.993 0.893 1
1 620 . 11 1 1 A 49 49 VAL CB C 49 30.881 31.533 -0.652 1
1 623 . 11 1 1 A 49 49 VAL N N 49 116.698 119.344 -2.646 1
1 624 . 11 1 1 A 50 50 ASP H H 50 8.474 8.148 0.326 1
1 625 . 11 1 1 A 50 50 ASP HA H 50 4.396 4.309 0.087 1
1 628 . 11 1 1 A 50 50 ASP C C 50 178.890 178.590 0.300 1
1 629 . 11 1 1 A 50 50 ASP CA C 50 57.477 57.519 -0.042 1
1 630 . 11 1 1 A 50 50 ASP CB C 50 40.945 41.760 -0.815 1
1 631 . 11 1 1 A 50 50 ASP N N 50 121.526 119.978 1.548 1
1 632 . 11 1 1 A 51 51 ARG H H 51 8.334 8.151 0.183 1
1 633 . 11 1 1 A 51 51 ARG HA H 51 4.079 4.039 0.040 1
1 641 . 11 1 1 A 51 51 ARG C C 51 179.634 178.821 0.813 1
1 642 . 11 1 1 A 51 51 ARG CA C 51 58.378 59.362 -0.984 1
1 643 . 11 1 1 A 51 51 ARG CB C 51 29.692 30.178 -0.486 1
1 646 . 11 1 1 A 51 51 ARG N N 51 118.666 118.198 0.468 1
1 648 . 11 1 1 A 52 52 ALA H H 52 9.250 8.227 1.023 1
1 649 . 11 1 1 A 52 52 ALA HA H 52 3.752 4.145 -0.393 1
1 653 . 11 1 1 A 52 52 ALA C C 52 179.710 179.604 0.106 1
1 654 . 11 1 1 A 52 52 ALA CA C 52 55.830 55.195 0.635 1
1 655 . 11 1 1 A 52 52 ALA CB C 52 18.164 18.149 0.015 1
1 656 . 11 1 1 A 52 52 ALA N N 52 124.004 121.978 2.026 1
1 657 . 11 1 1 A 53 53 SER H H 53 8.392 8.326 0.066 1
1 658 . 11 1 1 A 53 53 SER HA H 53 4.457 4.276 0.181 1
1 661 . 11 1 1 A 53 53 SER C C 53 175.807 176.662 -0.855 1
1 662 . 11 1 1 A 53 53 SER CA C 53 62.214 61.297 0.917 1
1 663 . 11 1 1 A 53 53 SER CB C 53 62.805 63.373 -0.568 1
1 664 . 11 1 1 A 53 53 SER N N 53 111.154 113.586 -2.432 1
1 665 . 11 1 1 A 54 54 SER H H 54 7.570 7.755 -0.185 1
1 666 . 11 1 1 A 54 54 SER HA H 54 4.512 4.341 0.171 1
1 669 . 11 1 1 A 54 54 SER C C 54 175.210 175.853 -0.643 1
1 670 . 11 1 1 A 54 54 SER CA C 54 59.567 61.257 -1.690 1
1 671 . 11 1 1 A 54 54 SER CB C 54 63.902 63.175 0.727 1
1 672 . 11 1 1 A 54 54 SER N N 54 112.745 115.585 -2.840 1
1 673 . 11 1 1 A 55 55 SER H H 55 7.501 8.149 -0.648 1
1 674 . 11 1 1 A 55 55 SER HA H 55 4.744 4.696 0.048 1
1 677 . 11 1 1 A 55 55 SER C C 55 173.106 173.122 -0.016 1
1 678 . 11 1 1 A 55 55 SER CA C 55 59.905 58.280 1.625 1
1 679 . 11 1 1 A 55 55 SER CB C 55 65.881 64.033 1.848 1
1 680 . 11 1 1 A 55 55 SER N N 55 113.238 113.553 -0.315 1
1 681 . 11 1 1 A 56 56 LEU H H 56 8.320 7.761 0.559 1
1 682 . 11 1 1 A 56 56 LEU HA H 56 4.823 4.917 -0.094 1
1 692 . 11 1 1 A 56 56 LEU C C 56 175.441 174.999 0.442 1
1 693 . 11 1 1 A 56 56 LEU CA C 56 53.476 53.838 -0.362 1
1 694 . 11 1 1 A 56 56 LEU CB C 56 44.655 46.001 -1.346 1
1 698 . 11 1 1 A 56 56 LEU N N 56 122.043 122.288 -0.245 1
1 699 . 11 1 1 A 57 57 GLU H H 57 8.510 8.837 -0.327 1
1 700 . 11 1 1 A 57 57 GLU HA H 57 4.334 4.586 -0.252 1
1 705 . 11 1 1 A 57 57 GLU C C 57 177.869 177.316 0.553 1
1 706 . 11 1 1 A 57 57 GLU CA C 57 55.911 55.649 0.262 1
1 707 . 11 1 1 A 57 57 GLU CB C 57 30.193 31.444 -1.251 1
1 709 . 11 1 1 A 57 57 GLU N N 57 121.479 123.203 -1.724 1
1 710 . 11 1 1 A 58 58 LYS H H 58 8.513 8.817 -0.304 1
1 711 . 11 1 1 A 58 58 LYS HA H 58 3.811 3.897 -0.086 1
1 720 . 11 1 1 A 58 58 LYS C C 58 178.345 177.442 0.903 1
1 721 . 11 1 1 A 58 58 LYS CA C 58 58.526 58.652 -0.126 1
1 722 . 11 1 1 A 58 58 LYS CB C 58 31.265 31.704 -0.439 1
1 726 . 11 1 1 A 58 58 LYS N N 58 120.689 126.773 -6.084 1
1 727 . 11 1 1 A 59 59 SER H H 59 7.912 7.581 0.331 1
1 728 . 11 1 1 A 59 59 SER HA H 59 4.437 4.471 -0.034 1
1 731 . 11 1 1 A 59 59 SER C C 59 174.216 174.069 0.147 1
1 732 . 11 1 1 A 59 59 SER CA C 59 57.862 58.712 -0.850 1
1 733 . 11 1 1 A 59 59 SER CB C 59 63.682 63.770 -0.088 1
1 734 . 11 1 1 A 59 59 SER N N 59 111.530 114.021 -2.491 1
1 735 . 11 1 1 A 60 60 ARG H H 60 7.477 7.842 -0.365 1
1 736 . 11 1 1 A 60 60 ARG HA H 60 4.199 4.246 -0.047 1
1 744 . 11 1 1 A 60 60 ARG C C 60 174.880 176.037 -1.157 1
1 745 . 11 1 1 A 60 60 ARG CA C 60 55.828 55.886 -0.058 1
1 746 . 11 1 1 A 60 60 ARG CB C 60 31.971 31.033 0.938 1
1 749 . 11 1 1 A 60 60 ARG N N 60 125.535 122.163 3.372 1
1 751 . 11 1 1 A 61 61 ASP H H 61 8.540 8.505 0.035 1
1 752 . 11 1 1 A 61 61 ASP HA H 61 4.903 4.839 0.064 1
1 755 . 11 1 1 A 61 61 ASP C C 61 175.569 176.491 -0.922 1
1 756 . 11 1 1 A 61 61 ASP CA C 61 55.438 54.852 0.586 1
1 757 . 11 1 1 A 61 61 ASP CB C 61 40.847 41.315 -0.468 1
1 758 . 11 1 1 A 61 61 ASP N N 61 126.761 125.140 1.621 1
1 759 . 11 1 1 A 62 62 ILE H H 62 8.630 8.837 -0.207 1
1 760 . 11 1 1 A 62 62 ILE HA H 62 5.038 5.106 -0.068 1
1 770 . 11 1 1 A 62 62 ILE C C 62 174.444 174.170 0.274 1
1 771 . 11 1 1 A 62 62 ILE CA C 62 59.799 60.479 -0.680 1
1 772 . 11 1 1 A 62 62 ILE CB C 62 42.130 41.100 1.030 1
1 776 . 11 1 1 A 62 62 ILE N N 62 125.212 124.531 0.681 1
1 777 . 11 1 1 A 63 63 TYR H H 63 9.026 9.702 -0.676 1
1 778 . 11 1 1 A 63 63 TYR HA H 63 5.230 5.317 -0.087 1
1 785 . 11 1 1 A 63 63 TYR C C 63 175.088 174.414 0.674 1
1 786 . 11 1 1 A 63 63 TYR CA C 63 56.143 56.709 -0.566 1
1 787 . 11 1 1 A 63 63 TYR CB C 63 41.302 40.345 0.957 1
1 792 . 11 1 1 A 63 63 TYR N N 63 125.467 126.918 -1.451 1
1 793 . 11 1 1 A 64 64 VAL H H 64 8.523 8.959 -0.436 1
1 794 . 11 1 1 A 64 64 VAL HA H 64 5.106 4.764 0.342 1
1 802 . 11 1 1 A 64 64 VAL C C 64 174.072 175.160 -1.088 1
1 803 . 11 1 1 A 64 64 VAL CA C 64 60.302 61.605 -1.303 1
1 804 . 11 1 1 A 64 64 VAL CB C 64 35.121 33.168 1.953 1
1 807 . 11 1 1 A 64 64 VAL N N 64 121.014 123.546 -2.532 1
1 808 . 11 1 1 A 65 65 TYR H H 65 8.832 8.993 -0.161 1
1 809 . 11 1 1 A 65 65 TYR HA H 65 5.289 5.828 -0.539 1
1 816 . 11 1 1 A 65 65 TYR C C 65 172.116 173.383 -1.267 1
1 817 . 11 1 1 A 65 65 TYR CA C 65 56.777 54.978 1.799 1
1 818 . 11 1 1 A 65 65 TYR CB C 65 42.528 41.986 0.542 1
1 819 . 11 1 1 A 65 65 TYR N N 65 120.331 122.989 -2.658 1
1 820 . 11 1 1 A 66 66 GLY H H 66 8.278 9.181 -0.903 1
1 821 . 11 1 1 A 66 66 GLY HA2 H 66 3.449 4.123 -0.674 1
1 822 . 11 1 1 A 66 66 GLY HA3 H 66 4.408 4.232 0.176 1
1 823 . 11 1 1 A 66 66 GLY C C 66 173.636 174.748 -1.112 1
1 824 . 11 1 1 A 66 66 GLY CA C 66 43.793 43.778 0.015 1
1 825 . 11 1 1 A 66 66 GLY N N 66 108.458 108.603 -0.145 1
1 826 . 11 1 1 A 67 67 ALA H H 67 9.485 8.803 0.682 1
1 827 . 11 1 1 A 67 67 ALA HA H 67 4.331 4.159 0.172 1
1 831 . 11 1 1 A 67 67 ALA C C 67 176.363 177.321 -0.958 1
1 832 . 11 1 1 A 67 67 ALA CA C 67 52.848 54.422 -1.574 1
1 833 . 11 1 1 A 67 67 ALA CB C 67 18.178 19.567 -1.389 1
1 834 . 11 1 1 A 67 67 ALA N N 67 126.325 121.350 4.975 1
1 835 . 11 1 1 A 68 68 GLY H H 68 7.553 7.831 -0.278 1
1 836 . 11 1 1 A 68 68 GLY HA2 H 68 4.270 4.095 0.175 1
1 837 . 11 1 1 A 68 68 GLY HA3 H 68 4.209 4.108 0.101 1
1 838 . 11 1 1 A 68 68 GLY C C 68 173.695 174.796 -1.101 1
1 839 . 11 1 1 A 68 68 GLY CA C 68 44.112 44.637 -0.525 1
1 840 . 11 1 1 A 68 68 GLY N N 68 106.057 105.112 0.945 1
1 841 . 11 1 1 A 69 69 ASP H H 69 8.904 8.902 0.002 1
1 842 . 11 1 1 A 69 69 ASP HA H 69 4.408 4.269 0.139 1
1 845 . 11 1 1 A 69 69 ASP C C 69 178.531 177.871 0.660 1
1 846 . 11 1 1 A 69 69 ASP CA C 69 57.592 57.623 -0.031 1
1 847 . 11 1 1 A 69 69 ASP CB C 69 40.198 41.158 -0.960 1
1 848 . 11 1 1 A 69 69 ASP N N 69 121.078 120.199 0.879 1
1 849 . 11 1 1 A 70 70 GLU H H 70 8.905 8.173 0.732 1
1 850 . 11 1 1 A 70 70 GLU HA H 70 4.110 3.982 0.128 1
1 855 . 11 1 1 A 70 70 GLU C C 70 178.745 178.894 -0.149 1
1 856 . 11 1 1 A 70 70 GLU CA C 70 59.956 59.791 0.165 1
1 857 . 11 1 1 A 70 70 GLU CB C 70 28.534 29.211 -0.677 1
1 859 . 11 1 1 A 70 70 GLU N N 70 120.998 119.081 1.917 1
1 860 . 11 1 1 A 71 71 GLN H H 71 8.453 7.751 0.702 1
1 861 . 11 1 1 A 71 71 GLN HA H 71 4.106 4.064 0.042 1
1 868 . 11 1 1 A 71 71 GLN C C 71 178.164 178.272 -0.108 1
1 869 . 11 1 1 A 71 71 GLN CA C 71 59.350 58.542 0.808 1
1 870 . 11 1 1 A 71 71 GLN CB C 71 29.682 28.463 1.219 1
1 872 . 11 1 1 A 71 71 GLN N N 71 121.273 118.800 2.473 1
1 874 . 11 1 1 A 72 72 THR H H 72 8.267 8.236 0.031 1
1 875 . 11 1 1 A 72 72 THR HA H 72 3.524 3.873 -0.349 1
1 880 . 11 1 1 A 72 72 THR C C 72 175.546 176.472 -0.926 1
1 881 . 11 1 1 A 72 72 THR CA C 72 67.395 66.522 0.873 1
1 882 . 11 1 1 A 72 72 THR CB C 72 68.145 68.673 -0.528 1
1 884 . 11 1 1 A 72 72 THR N N 72 115.641 116.731 -1.090 1
1 885 . 11 1 1 A 73 73 SER H H 73 8.265 8.310 -0.045 1
1 886 . 11 1 1 A 73 73 SER HA H 73 4.029 4.162 -0.133 1
1 889 . 11 1 1 A 73 73 SER C C 73 176.825 177.224 -0.399 1
1 890 . 11 1 1 A 73 73 SER CA C 73 61.746 61.216 0.530 1
1 891 . 11 1 1 A 73 73 SER CB C 73 62.746 62.867 -0.121 1
1 892 . 11 1 1 A 73 73 SER N N 73 115.814 115.268 0.546 1
1 893 . 11 1 1 A 74 74 GLN H H 74 8.119 8.193 -0.074 1
1 894 . 11 1 1 A 74 74 GLN HA H 74 4.090 4.017 0.073 1
1 901 . 11 1 1 A 74 74 GLN C C 74 178.630 177.999 0.631 1
1 902 . 11 1 1 A 74 74 GLN CA C 74 58.903 58.246 0.657 1
1 903 . 11 1 1 A 74 74 GLN CB C 74 27.943 28.926 -0.983 1
1 905 . 11 1 1 A 74 74 GLN N N 74 121.446 120.470 0.976 1
1 907 . 11 1 1 A 75 75 ALA H H 75 8.210 7.789 0.421 1
1 908 . 11 1 1 A 75 75 ALA HA H 75 3.879 4.035 -0.156 1
1 912 . 11 1 1 A 75 75 ALA C C 75 178.843 179.672 -0.829 1
1 913 . 11 1 1 A 75 75 ALA CA C 75 54.959 55.145 -0.186 1
1 914 . 11 1 1 A 75 75 ALA CB C 75 20.226 18.438 1.788 1
1 915 . 11 1 1 A 75 75 ALA N N 75 121.007 121.846 -0.839 1
1 916 . 11 1 1 A 76 76 VAL H H 76 8.257 7.860 0.397 1
1 917 . 11 1 1 A 76 76 VAL HA H 76 3.472 3.447 0.025 1
1 925 . 11 1 1 A 76 76 VAL C C 76 177.639 178.264 -0.625 1
1 926 . 11 1 1 A 76 76 VAL CA C 76 67.080 66.729 0.351 1
1 927 . 11 1 1 A 76 76 VAL CB C 76 30.945 31.442 -0.497 1
1 930 . 11 1 1 A 76 76 VAL N N 76 116.281 118.798 -2.517 1
1 931 . 11 1 1 A 77 77 ASN H H 77 8.190 8.114 0.076 1
1 932 . 11 1 1 A 77 77 ASN HA H 77 4.430 4.391 0.039 1
1 937 . 11 1 1 A 77 77 ASN C C 77 178.638 177.851 0.787 1
1 938 . 11 1 1 A 77 77 ASN CA C 77 56.666 56.817 -0.151 1
1 939 . 11 1 1 A 77 77 ASN CB C 77 37.950 39.121 -1.171 1
1 940 . 11 1 1 A 77 77 ASN N N 77 118.786 118.935 -0.149 1
1 942 . 11 1 1 A 78 78 LEU H H 78 8.222 8.113 0.109 1
1 943 . 11 1 1 A 78 78 LEU HA H 78 4.045 4.343 -0.298 1
1 953 . 11 1 1 A 78 78 LEU C C 78 180.246 179.764 0.482 1
1 954 . 11 1 1 A 78 78 LEU CA C 78 57.926 58.258 -0.332 1
1 955 . 11 1 1 A 78 78 LEU CB C 78 41.892 41.380 0.512 1
1 959 . 11 1 1 A 78 78 LEU N N 78 121.759 119.948 1.811 1
1 960 . 11 1 1 A 79 79 LEU H H 79 7.887 8.078 -0.191 1
1 961 . 11 1 1 A 79 79 LEU HA H 79 4.051 3.874 0.177 1
1 971 . 11 1 1 A 79 79 LEU C C 79 179.804 179.871 -0.067 1
1 972 . 11 1 1 A 79 79 LEU CA C 79 57.788 58.113 -0.325 1
1 973 . 11 1 1 A 79 79 LEU CB C 79 41.616 41.289 0.327 1
1 977 . 11 1 1 A 79 79 LEU N N 79 118.127 119.398 -1.271 1
1 978 . 11 1 1 A 80 80 ARG H H 80 8.942 8.150 0.792 1
1 979 . 11 1 1 A 80 80 ARG HA H 80 4.516 4.430 0.086 1
1 987 . 11 1 1 A 80 80 ARG C C 80 181.546 177.677 3.869 1
1 988 . 11 1 1 A 80 80 ARG CA C 80 60.006 58.368 1.638 1
1 989 . 11 1 1 A 80 80 ARG CB C 80 29.510 29.810 -0.300 1
1 992 . 11 1 1 A 80 80 ARG N N 80 120.974 118.847 2.127 1
1 994 . 11 1 1 A 81 81 SER H H 81 8.394 8.505 -0.111 1
1 995 . 11 1 1 A 81 81 SER HA H 81 4.307 4.277 0.030 1
1 998 . 11 1 1 A 81 81 SER C C 81 174.601 175.575 -0.974 1
1 999 . 11 1 1 A 81 81 SER CA C 81 61.570 60.914 0.656 1
1 1000 . 11 1 1 A 81 81 SER CB C 81 62.832 62.511 0.321 1
1 1001 . 11 1 1 A 81 81 SER N N 81 116.329 114.232 2.097 1
1 1002 . 11 1 1 A 82 82 ALA H H 82 7.507 7.497 0.010 1
1 1003 . 11 1 1 A 82 82 ALA HA H 82 4.546 4.438 0.108 1
1 1007 . 11 1 1 A 82 82 ALA C C 82 176.449 177.518 -1.069 1
1 1008 . 11 1 1 A 82 82 ALA CA C 82 51.759 52.170 -0.411 1
1 1009 . 11 1 1 A 82 82 ALA CB C 82 18.850 19.469 -0.619 1
1 1010 . 11 1 1 A 82 82 ALA N N 82 122.576 121.191 1.385 1
1 1011 . 11 1 1 A 83 83 GLY H H 83 7.678 8.083 -0.405 1
1 1012 . 11 1 1 A 83 83 GLY HA2 H 83 3.623 3.918 -0.295 1
1 1013 . 11 1 1 A 83 83 GLY HA3 H 83 4.217 3.983 0.234 1
1 1014 . 11 1 1 A 83 83 GLY C C 83 174.557 174.737 -0.180 1
1 1015 . 11 1 1 A 83 83 GLY CA C 83 44.741 45.051 -0.310 1
1 1016 . 11 1 1 A 83 83 GLY N N 83 104.117 106.680 -2.563 1
1 1017 . 11 1 1 A 84 84 PHE H H 84 7.923 8.108 -0.185 1
1 1018 . 11 1 1 A 84 84 PHE HA H 84 4.254 4.447 -0.193 1
1 1026 . 11 1 1 A 84 84 PHE C C 84 176.479 176.067 0.412 1
1 1027 . 11 1 1 A 84 84 PHE CA C 84 60.127 59.338 0.789 1
1 1028 . 11 1 1 A 84 84 PHE CB C 84 36.999 38.481 -1.482 1
1 1034 . 11 1 1 A 84 84 PHE N N 84 119.861 119.853 0.008 1
1 1035 . 11 1 1 A 85 85 GLU H H 85 7.730 9.135 -1.405 1
1 1036 . 11 1 1 A 85 85 GLU HA H 85 3.965 4.378 -0.413 1
1 1041 . 11 1 1 A 85 85 GLU C C 85 176.966 177.338 -0.372 1
1 1042 . 11 1 1 A 85 85 GLU CA C 85 57.841 59.037 -1.196 1
1 1043 . 11 1 1 A 85 85 GLU CB C 85 32.054 30.562 1.492 1
1 1045 . 11 1 1 A 85 85 GLU N N 85 122.200 124.577 -2.377 1
1 1046 . 11 1 1 A 86 86 HIS H H 86 9.957 8.038 1.919 1
1 1047 . 11 1 1 A 86 86 HIS HA H 86 4.988 4.704 0.284 1
1 1052 . 11 1 1 A 86 86 HIS C C 86 171.400 173.942 -2.542 1
1 1053 . 11 1 1 A 86 86 HIS CA C 86 53.063 54.914 -1.851 1
1 1054 . 11 1 1 A 86 86 HIS CB C 86 29.823 28.046 1.777 1
1 1057 . 11 1 1 A 86 86 HIS N N 86 122.245 117.575 4.670 1
1 1060 . 11 1 1 A 87 87 VAL H H 87 8.233 8.353 -0.120 1
1 1061 . 11 1 1 A 87 87 VAL HA H 87 4.934 4.803 0.131 1
1 1069 . 11 1 1 A 87 87 VAL C C 87 175.510 173.870 1.640 1
1 1070 . 11 1 1 A 87 87 VAL CA C 87 59.972 60.648 -0.676 1
1 1071 . 11 1 1 A 87 87 VAL CB C 87 33.883 35.528 -1.645 1
1 1074 . 11 1 1 A 87 87 VAL N N 87 120.946 124.185 -3.239 1
1 1075 . 11 1 1 A 88 88 SER H H 88 8.968 8.944 0.024 1
1 1076 . 11 1 1 A 88 88 SER HA H 88 4.869 5.137 -0.268 1
1 1079 . 11 1 1 A 88 88 SER C C 88 174.093 173.020 1.073 1
1 1080 . 11 1 1 A 88 88 SER CA C 88 55.935 56.474 -0.539 1
1 1081 . 11 1 1 A 88 88 SER CB C 88 66.077 65.147 0.930 1
1 1082 . 11 1 1 A 88 88 SER N N 88 121.913 122.285 -0.372 1
1 1083 . 11 1 1 A 89 89 GLU H H 89 8.628 8.402 0.226 1
1 1084 . 11 1 1 A 89 89 GLU HA H 89 4.233 4.812 -0.579 1
1 1089 . 11 1 1 A 89 89 GLU C C 89 175.212 175.481 -0.269 1
1 1090 . 11 1 1 A 89 89 GLU CA C 89 55.728 55.780 -0.052 1
1 1091 . 11 1 1 A 89 89 GLU CB C 89 31.640 30.470 1.170 1
1 1093 . 11 1 1 A 89 89 GLU N N 89 125.288 123.075 2.213 1
1 1094 . 11 1 1 A 90 90 LEU H H 90 8.727 8.741 -0.014 1
1 1095 . 11 1 1 A 90 90 LEU HA H 90 4.829 5.228 -0.399 1
1 1105 . 11 1 1 A 90 90 LEU C C 90 175.893 176.525 -0.632 1
1 1106 . 11 1 1 A 90 90 LEU CA C 90 53.771 54.983 -1.212 1
1 1107 . 11 1 1 A 90 90 LEU CB C 90 41.511 43.225 -1.714 1
1 1111 . 11 1 1 A 90 90 LEU N N 90 125.766 126.731 -0.965 1
1 1112 . 11 1 1 A 91 91 LYS H H 91 8.715 9.023 -0.308 1
1 1113 . 11 1 1 A 91 91 LYS HA H 91 4.164 4.169 -0.005 1
1 1122 . 11 1 1 A 91 91 LYS C C 91 177.680 177.418 0.262 1
1 1123 . 11 1 1 A 91 91 LYS CA C 91 57.796 57.741 0.055 1
1 1124 . 11 1 1 A 91 91 LYS CB C 91 31.705 32.893 -1.188 1
1 1128 . 11 1 1 A 91 91 LYS N N 91 131.405 127.308 4.097 1
1 1129 . 11 1 1 A 92 92 GLY H H 92 9.408 8.629 0.779 1
1 1130 . 11 1 1 A 92 92 GLY HA2 H 92 3.828 3.969 -0.141 1
1 1131 . 11 1 1 A 92 92 GLY HA3 H 92 4.268 3.985 0.283 1
1 1132 . 11 1 1 A 92 92 GLY C C 92 175.634 173.932 1.702 1
1 1133 . 11 1 1 A 92 92 GLY CA C 92 46.001 45.978 0.023 1
1 1134 . 11 1 1 A 92 92 GLY N N 92 115.262 111.105 4.157 1
1 1135 . 11 1 1 A 93 93 GLY H H 93 7.616 8.500 -0.884 1
1 1136 . 11 1 1 A 93 93 GLY HA2 H 93 3.429 4.191 -0.762 1
1 1137 . 11 1 1 A 93 93 GLY HA3 H 93 4.276 4.243 0.033 1
1 1138 . 11 1 1 A 93 93 GLY C C 93 172.357 174.923 -2.566 1
1 1139 . 11 1 1 A 93 93 GLY CA C 93 46.436 43.987 2.449 1
1 1140 . 11 1 1 A 93 93 GLY N N 93 106.201 107.598 -1.397 1
1 1141 . 11 1 1 A 94 94 LEU H H 94 8.854 9.010 -0.156 1
1 1142 . 11 1 1 A 94 94 LEU HA H 94 3.643 4.204 -0.561 1
1 1152 . 11 1 1 A 94 94 LEU C C 94 178.092 178.741 -0.649 1
1 1153 . 11 1 1 A 94 94 LEU CA C 94 56.966 57.635 -0.669 1
1 1154 . 11 1 1 A 94 94 LEU CB C 94 41.937 41.795 0.142 1
1 1158 . 11 1 1 A 94 94 LEU N N 94 124.279 125.031 -0.752 1
1 1159 . 11 1 1 A 95 95 ALA H H 95 8.683 8.295 0.388 1
1 1160 . 11 1 1 A 95 95 ALA HA H 95 4.061 4.034 0.027 1
1 1164 . 11 1 1 A 95 95 ALA C C 95 180.877 179.651 1.226 1
1 1165 . 11 1 1 A 95 95 ALA CA C 95 55.406 55.434 -0.028 1
1 1166 . 11 1 1 A 95 95 ALA CB C 95 18.053 17.972 0.081 1
1 1167 . 11 1 1 A 95 95 ALA N N 95 120.253 121.017 -0.764 1
1 1168 . 11 1 1 A 96 96 ALA H H 96 7.249 7.983 -0.734 1
1 1169 . 11 1 1 A 96 96 ALA HA H 96 4.132 4.081 0.051 1
1 1173 . 11 1 1 A 96 96 ALA C C 96 179.350 179.475 -0.125 1
1 1174 . 11 1 1 A 96 96 ALA CA C 96 54.429 55.088 -0.659 1
1 1175 . 11 1 1 A 96 96 ALA CB C 96 18.580 18.495 0.085 1
1 1176 . 11 1 1 A 96 96 ALA N N 96 121.080 120.010 1.070 1
1 1177 . 11 1 1 A 97 97 TRP H H 97 7.636 8.204 -0.568 1
1 1178 . 11 1 1 A 97 97 TRP HA H 97 4.051 4.225 -0.174 1
1 1187 . 11 1 1 A 97 97 TRP C C 97 178.223 178.208 0.015 1
1 1188 . 11 1 1 A 97 97 TRP CA C 97 59.343 61.663 -2.320 1
1 1189 . 11 1 1 A 97 97 TRP CB C 97 29.734 29.939 -0.205 1
1 1195 . 11 1 1 A 97 97 TRP N N 97 119.015 120.980 -1.965 1
1 1197 . 11 1 1 A 98 98 LYS H H 98 8.764 8.263 0.501 1
1 1198 . 11 1 1 A 98 98 LYS HA H 98 3.886 4.083 -0.197 1
1 1207 . 11 1 1 A 98 98 LYS C C 98 180.503 179.332 1.171 1
1 1208 . 11 1 1 A 98 98 LYS CA C 98 59.365 59.389 -0.024 1
1 1209 . 11 1 1 A 98 98 LYS CB C 98 31.899 32.175 -0.276 1
1 1213 . 11 1 1 A 98 98 LYS N N 98 117.855 118.804 -0.949 1
1 1214 . 11 1 1 A 99 99 ALA H H 99 7.802 8.287 -0.485 1
1 1215 . 11 1 1 A 99 99 ALA HA H 99 4.139 4.115 0.024 1
1 1219 . 11 1 1 A 99 99 ALA C C 99 179.188 177.994 1.194 1
1 1220 . 11 1 1 A 99 99 ALA CA C 99 54.521 54.667 -0.146 1
1 1221 . 11 1 1 A 99 99 ALA CB C 99 18.016 18.448 -0.432 1
1 1222 . 11 1 1 A 99 99 ALA N N 99 121.263 120.746 0.517 1
1 1223 . 11 1 1 A 100 100 ILE H H 100 6.803 7.337 -0.534 1
1 1224 . 11 1 1 A 100 100 ILE HA H 100 4.509 4.113 0.396 1
1 1234 . 11 1 1 A 100 100 ILE C C 100 175.810 176.314 -0.504 1
1 1235 . 11 1 1 A 100 100 ILE CA C 100 59.964 60.392 -0.428 1
1 1236 . 11 1 1 A 100 100 ILE CB C 100 37.866 37.374 0.492 1
1 1240 . 11 1 1 A 100 100 ILE N N 100 107.978 110.651 -2.673 1
1 1241 . 11 1 1 A 101 101 GLY H H 101 7.741 8.016 -0.275 1
1 1242 . 11 1 1 A 101 101 GLY HA2 H 101 3.618 3.900 -0.282 1
1 1243 . 11 1 1 A 101 101 GLY HA3 H 101 3.866 3.904 -0.038 1
1 1244 . 11 1 1 A 101 101 GLY C C 101 175.319 175.164 0.155 1
1 1245 . 11 1 1 A 101 101 GLY CA C 101 45.444 46.584 -1.140 1
1 1246 . 11 1 1 A 101 101 GLY N N 101 109.732 110.998 -1.266 1
1 1247 . 11 1 1 A 102 102 GLY H H 102 7.823 7.998 -0.175 1
1 1248 . 11 1 1 A 102 102 GLY HA2 H 102 2.942 2.950 -0.008 1
1 1249 . 11 1 1 A 102 102 GLY HA3 H 102 2.942 3.645 -0.703 1
1 1250 . 11 1 1 A 102 102 GLY C C 102 171.578 173.045 -1.467 1
1 1251 . 11 1 1 A 102 102 GLY CA C 102 41.964 44.272 -2.308 1
1 1252 . 11 1 1 A 102 102 GLY N N 102 108.608 107.594 1.014 1
1 1253 . 11 1 1 A 103 103 PRO HA H 103 4.643 4.843 -0.200 1
1 1260 . 11 1 1 A 103 103 PRO C C 103 178.778 176.788 1.990 1
1 1261 . 11 1 1 A 103 103 PRO CA C 103 62.843 62.991 -0.148 1
1 1262 . 11 1 1 A 103 103 PRO CB C 103 32.263 32.140 0.123 1
1 1265 . 11 1 1 A 104 104 THR H H 104 8.760 8.665 0.095 1
1 1266 . 11 1 1 A 104 104 THR HA H 104 5.017 5.198 -0.181 1
1 1271 . 11 1 1 A 104 104 THR C C 104 172.498 172.478 0.020 1
1 1272 . 11 1 1 A 104 104 THR CA C 104 59.729 59.789 -0.060 1
1 1273 . 11 1 1 A 104 104 THR CB C 104 72.479 72.907 -0.428 1
1 1275 . 11 1 1 A 104 104 THR N N 104 116.086 112.791 3.295 1
1 1276 . 11 1 1 A 105 105 GLU H H 105 8.267 9.033 -0.766 1
1 1277 . 11 1 1 A 105 105 GLU HA H 105 4.499 5.069 -0.570 1
1 1282 . 11 1 1 A 105 105 GLU C C 105 173.848 174.183 -0.335 1
1 1283 . 11 1 1 A 105 105 GLU CA C 105 54.647 54.268 0.379 1
1 1284 . 11 1 1 A 105 105 GLU CB C 105 34.227 33.523 0.704 1
1 1286 . 11 1 1 A 105 105 GLU N N 105 117.663 119.076 -1.413 1
1 1287 . 11 1 1 A 106 106 GLY H H 106 8.207 8.221 -0.014 1
1 1288 . 11 1 1 A 106 106 GLY HA2 H 106 3.873 3.951 -0.078 1
1 1289 . 11 1 1 A 106 106 GLY HA3 H 106 3.873 3.952 -0.079 1
1 1290 . 11 1 1 A 106 106 GLY C C 106 173.052 174.140 -1.088 1
1 1291 . 11 1 1 A 106 106 GLY CA C 106 44.313 44.907 -0.594 1
1 1292 . 11 1 1 A 106 106 GLY N N 106 108.896 106.847 2.049 1
1 1293 . 11 1 1 A 107 107 ILE H H 107 8.333 9.225 -0.892 1
1 1294 . 11 1 1 A 107 107 ILE HA H 107 4.110 3.733 0.377 1
1 1304 . 11 1 1 A 107 107 ILE C C 107 176.773 177.614 -0.841 1
1 1305 . 11 1 1 A 107 107 ILE CA C 107 62.404 64.292 -1.888 1
1 1306 . 11 1 1 A 107 107 ILE CB C 107 38.826 37.782 1.044 1
1 1310 . 11 1 1 A 107 107 ILE N N 107 119.410 119.375 0.035 1
1 1311 . 11 1 1 A 108 108 ILE H H 108 8.369 7.923 0.446 1
1 1312 . 11 1 1 A 108 108 ILE HA H 108 4.167 3.733 0.434 1
1 1322 . 11 1 1 A 108 108 ILE C C 108 176.821 178.650 -1.829 1
1 1323 . 11 1 1 A 108 108 ILE CA C 108 61.060 64.089 -3.029 1
1 1324 . 11 1 1 A 108 108 ILE CB C 108 37.984 36.819 1.165 1
1 1328 . 11 1 1 A 108 108 ILE N N 108 122.390 119.785 2.605 1
1 1329 . 11 1 1 A 109 109 GLU H H 109 8.127 7.889 0.238 1
1 1330 . 11 1 1 A 109 109 GLU HA H 109 4.218 4.195 0.023 1
1 1335 . 11 1 1 A 109 109 GLU C C 109 176.438 177.426 -0.988 1
1 1336 . 11 1 1 A 109 109 GLU CA C 109 56.548 58.672 -2.124 1
1 1337 . 11 1 1 A 109 109 GLU CB C 109 30.178 29.109 1.069 1
1 1339 . 11 1 1 A 109 109 GLU N N 109 123.739 121.785 1.954 1
1 1340 . 11 1 1 A 110 110 SER H H 110 8.291 7.640 0.651 1
1 1341 . 11 1 1 A 110 110 SER HA H 110 4.446 4.618 -0.172 1
1 1344 . 11 1 1 A 110 110 SER C C 110 174.330 174.004 0.326 1
1 1345 . 11 1 1 A 110 110 SER CA C 110 58.252 58.597 -0.345 1
1 1346 . 11 1 1 A 110 110 SER CB C 110 63.598 63.715 -0.117 1
1 1347 . 11 1 1 A 110 110 SER N N 110 116.242 113.580 2.662 1
1 1348 . 11 1 1 A 111 111 ARG H H 111 8.238 7.810 0.428 1
1 1349 . 11 1 1 A 111 111 ARG HA H 111 4.426 4.880 -0.454 1
1 1357 . 11 1 1 A 111 111 ARG C C 111 176.113 174.604 1.509 1
1 1358 . 11 1 1 A 111 111 ARG CA C 111 55.848 54.596 1.252 1
1 1359 . 11 1 1 A 111 111 ARG CB C 111 30.755 33.268 -2.513 1
1 1362 . 11 1 1 A 111 111 ARG N N 111 122.827 117.822 5.005 1
1 1364 . 11 1 1 A 112 112 THR H H 112 8.229 8.390 -0.161 1
1 1365 . 11 1 1 A 112 112 THR HA H 112 4.573 4.927 -0.354 1
1 1370 . 11 1 1 A 112 112 THR C C 112 172.790 175.107 -2.317 1
1 1371 . 11 1 1 A 112 112 THR CA C 112 59.716 58.792 0.924 1
1 1372 . 11 1 1 A 112 112 THR CB C 112 69.503 69.685 -0.182 1
1 1374 . 11 1 1 A 112 112 THR N N 112 117.863 111.167 6.696 1
1 1375 . 11 1 1 A 113 113 PRO HA H 113 4.388 4.523 -0.135 1
1 1382 . 11 1 1 A 113 113 PRO C C 113 176.605 175.195 1.410 1
1 1383 . 11 1 1 A 113 113 PRO CA C 113 63.131 63.410 -0.279 1
1 1384 . 11 1 1 A 113 113 PRO CB C 113 31.931 30.860 1.071 1
1 1387 . 11 1 1 A 114 114 ALA H H 114 8.422 7.758 0.664 1
1 1388 . 11 1 1 A 114 114 ALA HA H 114 4.284 4.649 -0.365 1
1 1392 . 11 1 1 A 114 114 ALA C C 114 178.251 175.883 2.368 1
1 1393 . 11 1 1 A 114 114 ALA CA C 114 52.518 51.565 0.953 1
1 1394 . 11 1 1 A 114 114 ALA CB C 114 19.131 22.064 -2.933 1
1 1395 . 11 1 1 A 114 114 ALA N N 114 124.466 119.826 4.640 1
1 1396 . 11 1 1 A 115 115 GLY H H 115 8.380 8.312 0.068 1
1 1397 . 11 1 1 A 115 115 GLY HA2 H 115 3.956 4.171 -0.215 1
1 1398 . 11 1 1 A 115 115 GLY HA3 H 115 3.934 4.172 -0.238 1
1 1399 . 11 1 1 A 115 115 GLY C C 115 174.020 173.645 0.375 1
1 1400 . 11 1 1 A 115 115 GLY CA C 115 45.095 45.716 -0.621 1
1 1401 . 11 1 1 A 115 115 GLY N N 115 108.587 106.276 2.311 1
1 1402 . 11 1 1 A 116 116 ALA H H 116 8.127 8.763 -0.636 1
1 1403 . 11 1 1 A 116 116 ALA HA H 116 4.292 3.987 0.305 1
1 1407 . 11 1 1 A 116 116 ALA C C 116 177.565 175.604 1.961 1
1 1408 . 11 1 1 A 116 116 ALA CA C 116 52.504 53.167 -0.663 1
1 1409 . 11 1 1 A 116 116 ALA CB C 116 19.187 17.895 1.292 1
1 1410 . 11 1 1 A 116 116 ALA N N 116 123.523 126.432 -2.909 1
1 1411 . 11 1 1 A 117 117 ASP H H 117 8.316 8.043 0.273 1
1 1412 . 11 1 1 A 117 117 ASP HA H 117 4.555 5.195 -0.640 1
1 1415 . 11 1 1 A 117 117 ASP C C 117 175.899 173.766 2.133 1
1 1416 . 11 1 1 A 117 117 ASP CA C 117 54.254 54.348 -0.094 1
1 1417 . 11 1 1 A 117 117 ASP CB C 117 40.962 43.812 -2.850 1
1 1418 . 11 1 1 A 117 117 ASP N N 117 118.783 122.628 -3.845 1
1 1419 . 11 1 1 A 118 118 ASP H H 118 8.083 8.697 -0.614 1
1 1420 . 11 1 1 A 118 118 ASP HA H 118 4.529 5.084 -0.555 1
1 1423 . 11 1 1 A 118 118 ASP C C 118 176.278 174.950 1.328 1
1 1424 . 11 1 1 A 118 118 ASP CA C 118 54.202 53.539 0.663 1
1 1425 . 11 1 1 A 118 118 ASP CB C 118 40.933 44.405 -3.472 1
1 1426 . 11 1 1 A 118 118 ASP N N 118 119.935 124.593 -4.658 1
1 1427 . 11 1 1 A 119 119 TYR H H 119 8.107 8.918 -0.811 1
1 1428 . 11 1 1 A 119 119 TYR HA H 119 4.450 4.716 -0.266 1
1 1435 . 11 1 1 A 119 119 TYR C C 119 175.825 175.319 0.506 1
1 1436 . 11 1 1 A 119 119 TYR CA C 119 58.350 58.268 0.082 1
1 1437 . 11 1 1 A 119 119 TYR CB C 119 38.260 38.739 -0.479 1
1 1442 . 11 1 1 A 119 119 TYR N N 119 120.415 126.925 -6.510 1
1 1443 . 11 1 1 A 120 120 ASN H H 120 8.276 7.679 0.597 1
1 1444 . 11 1 1 A 120 120 ASN HA H 120 4.615 4.602 0.013 1
1 1449 . 11 1 1 A 120 120 ASN C C 120 175.102 173.858 1.244 1
1 1450 . 11 1 1 A 120 120 ASN CA C 120 53.396 52.362 1.034 1
1 1451 . 11 1 1 A 120 120 ASN CB C 120 38.712 37.754 0.958 1
1 1452 . 11 1 1 A 120 120 ASN N N 120 119.834 119.253 0.581 1
1 1454 . 11 1 1 A 121 121 VAL H H 121 7.897 8.263 -0.366 1
1 1455 . 11 1 1 A 121 121 VAL HA H 121 4.009 4.958 -0.949 1
1 1463 . 11 1 1 A 121 121 VAL C C 121 176.484 174.846 1.638 1
1 1464 . 11 1 1 A 121 121 VAL CA C 121 62.950 58.832 4.118 1
1 1465 . 11 1 1 A 121 121 VAL CB C 121 32.326 34.800 -2.474 1
1 1468 . 11 1 1 A 121 121 VAL N N 121 120.109 121.042 -0.933 1
1 1469 . 11 1 1 A 122 122 VAL H H 122 8.091 8.464 -0.373 1
1 1470 . 11 1 1 A 122 122 VAL HA H 122 4.014 4.671 -0.657 1
1 1478 . 11 1 1 A 122 122 VAL C C 122 176.568 175.062 1.506 1
1 1479 . 11 1 1 A 122 122 VAL CA C 122 62.924 60.636 2.288 1
1 1480 . 11 1 1 A 122 122 VAL CB C 122 32.279 33.203 -0.924 1
1 1483 . 11 1 1 A 122 122 VAL N N 122 122.407 118.683 3.724 1
1 1484 . 11 1 1 A 123 123 SER H H 123 8.228 8.667 -0.439 1
1 1485 . 11 1 1 A 123 123 SER HA H 123 4.385 4.952 -0.567 1
1 1488 . 11 1 1 A 123 123 SER C C 123 174.863 172.601 2.262 1
1 1489 . 11 1 1 A 123 123 SER CA C 123 58.525 57.635 0.890 1
1 1490 . 11 1 1 A 123 123 SER CB C 123 63.450 63.995 -0.545 1
1 1491 . 11 1 1 A 123 123 SER N N 123 118.095 119.714 -1.619 1
1 1492 . 11 1 1 A 124 124 ARG H H 124 8.208 8.475 -0.267 1
1 1493 . 11 1 1 A 124 124 ARG HA H 124 4.297 4.788 -0.491 1
1 1500 . 11 1 1 A 124 124 ARG C C 124 176.328 173.961 2.367 1
1 1501 . 11 1 1 A 124 124 ARG CA C 124 56.408 55.823 0.585 1
1 1502 . 11 1 1 A 124 124 ARG CB C 124 30.480 34.477 -3.997 1
1 1505 . 11 1 1 A 124 124 ARG N N 124 122.632 126.639 -4.007 1
1 1506 . 11 1 1 A 125 125 LEU H H 125 8.081 8.630 -0.549 1
1 1507 . 11 1 1 A 125 125 LEU HA H 125 4.262 4.929 -0.667 1
1 1517 . 11 1 1 A 125 125 LEU C C 125 177.375 174.947 2.428 1
1 1518 . 11 1 1 A 125 125 LEU CA C 125 55.282 54.236 1.046 1
1 1519 . 11 1 1 A 125 125 LEU CB C 125 42.042 45.809 -3.767 1
1 1523 . 11 1 1 A 125 125 LEU N N 125 121.964 126.183 -4.219 1
1 1524 . 11 1 1 A 126 126 GLU H H 126 8.232 8.619 -0.387 1
1 1525 . 11 1 1 A 126 126 GLU HA H 126 4.179 4.635 -0.456 1
1 1530 . 11 1 1 A 126 126 GLU C C 126 176.238 174.928 1.310 1
1 1531 . 11 1 1 A 126 126 GLU CA C 126 56.451 55.256 1.195 1
1 1532 . 11 1 1 A 126 126 GLU CB C 126 30.131 30.833 -0.702 1
1 14 . 12 1 1 A 2 2 GLU H H 2 8.824 8.958 -0.134 1
1 15 . 12 1 1 A 2 2 GLU HA H 2 4.687 4.671 0.016 1
1 20 . 12 1 1 A 2 2 GLU C C 2 175.506 176.292 -0.786 1
1 21 . 12 1 1 A 2 2 GLU CA C 2 54.603 54.430 0.173 1
1 22 . 12 1 1 A 2 2 GLU CB C 2 29.310 29.467 -0.157 1
1 24 . 12 1 1 A 2 2 GLU N N 2 125.698 124.522 1.176 1
1 25 . 12 1 1 A 3 3 PRO HA H 3 4.398 4.437 -0.039 1
1 32 . 12 1 1 A 3 3 PRO C C 3 176.267 176.721 -0.454 1
1 33 . 12 1 1 A 3 3 PRO CA C 3 64.781 64.835 -0.054 1
1 34 . 12 1 1 A 3 3 PRO CB C 3 31.918 32.081 -0.163 1
1 37 . 12 1 1 A 4 4 GLN H H 4 7.738 8.028 -0.290 1
1 38 . 12 1 1 A 4 4 GLN HA H 4 4.908 4.940 -0.032 1
1 45 . 12 1 1 A 4 4 GLN C C 4 175.006 174.546 0.460 1
1 46 . 12 1 1 A 4 4 GLN CA C 4 54.697 54.610 0.087 1
1 47 . 12 1 1 A 4 4 GLN CB C 4 31.196 30.574 0.622 1
1 49 . 12 1 1 A 4 4 GLN N N 4 114.971 118.181 -3.210 1
1 51 . 12 1 1 A 5 5 SER H H 5 9.180 8.946 0.234 1
1 52 . 12 1 1 A 5 5 SER HA H 5 4.825 5.139 -0.314 1
1 55 . 12 1 1 A 5 5 SER C C 5 172.669 174.013 -1.344 1
1 56 . 12 1 1 A 5 5 SER CA C 5 58.100 57.184 0.916 1
1 57 . 12 1 1 A 5 5 SER CB C 5 65.536 64.451 1.085 1
1 58 . 12 1 1 A 5 5 SER N N 5 117.801 120.588 -2.787 1
1 59 . 12 1 1 A 6 6 ASP H H 6 8.386 8.919 -0.533 1
1 60 . 12 1 1 A 6 6 ASP HA H 6 4.841 4.618 0.223 1
1 63 . 12 1 1 A 6 6 ASP C C 6 177.071 177.643 -0.572 1
1 64 . 12 1 1 A 6 6 ASP CA C 6 53.810 54.083 -0.273 1
1 65 . 12 1 1 A 6 6 ASP CB C 6 42.427 41.411 1.016 1
1 66 . 12 1 1 A 6 6 ASP N N 6 123.042 124.914 -1.872 1
1 67 . 12 1 1 A 7 7 ALA H H 7 9.312 8.780 0.532 1
1 68 . 12 1 1 A 7 7 ALA HA H 7 4.036 4.087 -0.051 1
1 72 . 12 1 1 A 7 7 ALA C C 7 178.859 179.918 -1.059 1
1 73 . 12 1 1 A 7 7 ALA CA C 7 55.703 55.562 0.141 1
1 74 . 12 1 1 A 7 7 ALA CB C 7 17.952 18.148 -0.196 1
1 75 . 12 1 1 A 7 7 ALA N N 7 123.976 125.323 -1.347 1
1 76 . 12 1 1 A 8 8 HIS H H 8 8.537 7.583 0.954 1
1 77 . 12 1 1 A 8 8 HIS HA H 8 3.950 4.250 -0.300 1
1 82 . 12 1 1 A 8 8 HIS C C 8 178.023 177.806 0.217 1
1 83 . 12 1 1 A 8 8 HIS CA C 8 59.778 58.218 1.560 1
1 84 . 12 1 1 A 8 8 HIS CB C 8 29.039 28.423 0.616 1
1 87 . 12 1 1 A 8 8 HIS N N 8 114.303 115.492 -1.189 1
1 90 . 12 1 1 A 9 9 VAL H H 9 7.567 8.036 -0.469 1
1 91 . 12 1 1 A 9 9 VAL HA H 9 3.709 3.465 0.244 1
1 99 . 12 1 1 A 9 9 VAL C C 9 178.518 178.095 0.423 1
1 100 . 12 1 1 A 9 9 VAL CA C 9 65.508 66.782 -1.274 1
1 101 . 12 1 1 A 9 9 VAL CB C 9 31.604 31.479 0.125 1
1 104 . 12 1 1 A 9 9 VAL N N 9 121.235 121.266 -0.031 1
1 105 . 12 1 1 A 10 10 LEU H H 10 7.219 7.900 -0.681 1
1 106 . 12 1 1 A 10 10 LEU HA H 10 3.716 3.559 0.157 1
1 116 . 12 1 1 A 10 10 LEU C C 10 177.133 178.050 -0.917 1
1 117 . 12 1 1 A 10 10 LEU CA C 10 57.133 58.352 -1.219 1
1 118 . 12 1 1 A 10 10 LEU CB C 10 40.756 41.085 -0.329 1
1 122 . 12 1 1 A 10 10 LEU N N 10 120.890 119.998 0.892 1
1 123 . 12 1 1 A 11 11 LYS H H 11 8.568 8.278 0.290 1
1 124 . 12 1 1 A 11 11 LYS HA H 11 3.943 3.919 0.024 1
1 133 . 12 1 1 A 11 11 LYS C C 11 178.143 178.881 -0.738 1
1 134 . 12 1 1 A 11 11 LYS CA C 11 60.388 59.565 0.823 1
1 135 . 12 1 1 A 11 11 LYS CB C 11 32.354 31.830 0.524 1
1 139 . 12 1 1 A 11 11 LYS N N 11 120.361 119.866 0.495 1
1 140 . 12 1 1 A 12 12 SER H H 12 7.865 8.390 -0.525 1
1 141 . 12 1 1 A 12 12 SER HA H 12 4.225 4.239 -0.014 1
1 144 . 12 1 1 A 12 12 SER C C 12 175.839 176.953 -1.114 1
1 145 . 12 1 1 A 12 12 SER CA C 12 61.626 61.797 -0.171 1
1 146 . 12 1 1 A 12 12 SER CB C 12 62.749 62.854 -0.105 1
1 147 . 12 1 1 A 12 12 SER N N 12 113.173 117.456 -4.283 1
1 148 . 12 1 1 A 13 13 ARG H H 13 7.701 7.359 0.342 1
1 149 . 12 1 1 A 13 13 ARG HA H 13 3.827 4.148 -0.321 1
1 157 . 12 1 1 A 13 13 ARG C C 13 178.606 178.802 -0.196 1
1 158 . 12 1 1 A 13 13 ARG CA C 13 58.926 58.703 0.223 1
1 159 . 12 1 1 A 13 13 ARG CB C 13 29.616 29.402 0.214 1
1 162 . 12 1 1 A 13 13 ARG N N 13 122.104 121.892 0.212 1
1 164 . 12 1 1 A 14 14 LEU H H 14 8.308 7.986 0.322 1
1 165 . 12 1 1 A 14 14 LEU HA H 14 4.219 4.644 -0.425 1
1 175 . 12 1 1 A 14 14 LEU C C 14 178.590 178.630 -0.040 1
1 176 . 12 1 1 A 14 14 LEU CA C 14 57.904 57.683 0.221 1
1 177 . 12 1 1 A 14 14 LEU CB C 14 42.627 41.909 0.718 1
1 181 . 12 1 1 A 14 14 LEU N N 14 119.549 122.182 -2.633 1
1 182 . 12 1 1 A 15 15 GLU H H 15 7.824 8.238 -0.414 1
1 183 . 12 1 1 A 15 15 GLU HA H 15 3.998 4.202 -0.204 1
1 188 . 12 1 1 A 15 15 GLU C C 15 177.805 178.237 -0.432 1
1 189 . 12 1 1 A 15 15 GLU CA C 15 58.219 58.892 -0.673 1
1 190 . 12 1 1 A 15 15 GLU CB C 15 29.865 30.707 -0.842 1
1 192 . 12 1 1 A 15 15 GLU N N 15 116.921 118.871 -1.950 1
1 193 . 12 1 1 A 16 16 TRP H H 16 7.905 8.456 -0.551 1
1 194 . 12 1 1 A 16 16 TRP HA H 16 4.895 4.762 0.133 1
1 203 . 12 1 1 A 16 16 TRP C C 16 176.778 176.855 -0.077 1
1 204 . 12 1 1 A 16 16 TRP CA C 16 57.033 58.630 -1.597 1
1 205 . 12 1 1 A 16 16 TRP CB C 16 30.513 31.028 -0.515 1
1 211 . 12 1 1 A 16 16 TRP N N 16 116.589 118.102 -1.513 1
1 213 . 12 1 1 A 17 17 GLY H H 17 8.007 8.103 -0.096 1
1 214 . 12 1 1 A 17 17 GLY HA2 H 17 3.979 4.178 -0.199 1
1 215 . 12 1 1 A 17 17 GLY HA3 H 17 4.200 4.190 0.010 1
1 216 . 12 1 1 A 17 17 GLY C C 17 173.650 173.287 0.363 1
1 217 . 12 1 1 A 17 17 GLY CA C 17 44.786 44.584 0.202 1
1 218 . 12 1 1 A 17 17 GLY N N 17 108.398 108.139 0.259 1
1 219 . 12 1 1 A 18 18 GLU H H 18 8.483 8.505 -0.022 1
1 220 . 12 1 1 A 18 18 GLU HA H 18 4.534 4.968 -0.434 1
1 225 . 12 1 1 A 18 18 GLU C C 18 176.535 174.441 2.094 1
1 226 . 12 1 1 A 18 18 GLU CA C 18 54.615 53.889 0.726 1
1 227 . 12 1 1 A 18 18 GLU CB C 18 29.654 32.914 -3.260 1
1 229 . 12 1 1 A 18 18 GLU N N 18 121.984 121.983 0.001 1
1 230 . 12 1 1 A 19 19 PRO HA H 19 4.549 4.233 0.316 1
1 237 . 12 1 1 A 19 19 PRO C C 19 176.737 176.422 0.315 1
1 238 . 12 1 1 A 19 19 PRO CA C 19 63.685 62.321 1.364 1
1 239 . 12 1 1 A 19 19 PRO CB C 19 30.940 30.244 0.696 1
1 242 . 12 1 1 A 20 20 ALA H H 20 8.386 8.035 0.351 1
1 243 . 12 1 1 A 20 20 ALA HA H 20 4.536 4.549 -0.013 1
1 247 . 12 1 1 A 20 20 ALA C C 20 174.844 177.033 -2.189 1
1 248 . 12 1 1 A 20 20 ALA CA C 20 51.312 51.811 -0.499 1
1 249 . 12 1 1 A 20 20 ALA CB C 20 17.883 21.138 -3.255 1
1 250 . 12 1 1 A 20 20 ALA N N 20 126.537 122.623 3.914 1
1 251 . 12 1 1 A 21 21 PHE H H 21 7.244 7.235 0.009 1
1 252 . 12 1 1 A 21 21 PHE HA H 21 5.485 5.217 0.268 1
1 260 . 12 1 1 A 21 21 PHE C C 21 173.639 174.531 -0.892 1
1 261 . 12 1 1 A 21 21 PHE CA C 21 55.312 55.379 -0.067 1
1 262 . 12 1 1 A 21 21 PHE CB C 21 41.581 42.082 -0.501 1
1 268 . 12 1 1 A 21 21 PHE N N 21 115.447 115.845 -0.398 1
1 269 . 12 1 1 A 22 22 THR H H 22 9.203 8.707 0.496 1
1 270 . 12 1 1 A 22 22 THR HA H 22 4.583 5.129 -0.546 1
1 275 . 12 1 1 A 22 22 THR C C 22 171.987 173.297 -1.310 1
1 276 . 12 1 1 A 22 22 THR CA C 22 62.368 61.655 0.713 1
1 277 . 12 1 1 A 22 22 THR CB C 22 72.961 70.891 2.070 1
1 279 . 12 1 1 A 22 22 THR N N 22 119.035 114.681 4.354 1
1 280 . 12 1 1 A 23 23 ILE H H 23 9.318 9.450 -0.132 1
1 281 . 12 1 1 A 23 23 ILE HA H 23 5.172 5.413 -0.241 1
1 291 . 12 1 1 A 23 23 ILE C C 23 173.969 175.438 -1.469 1
1 292 . 12 1 1 A 23 23 ILE CA C 23 59.958 59.958 0.000 1
1 293 . 12 1 1 A 23 23 ILE CB C 23 40.273 39.524 0.749 1
1 297 . 12 1 1 A 23 23 ILE N N 23 127.452 129.228 -1.776 1
1 298 . 12 1 1 A 24 24 LEU H H 24 9.522 9.369 0.153 1
1 299 . 12 1 1 A 24 24 LEU HA H 24 4.871 5.061 -0.190 1
1 309 . 12 1 1 A 24 24 LEU C C 24 172.823 174.953 -2.130 1
1 310 . 12 1 1 A 24 24 LEU CA C 24 53.100 53.087 0.013 1
1 311 . 12 1 1 A 24 24 LEU CB C 24 44.522 43.830 0.692 1
1 315 . 12 1 1 A 24 24 LEU N N 24 127.148 127.880 -0.732 1
1 316 . 12 1 1 A 25 25 ASP H H 25 8.325 8.696 -0.371 1
1 317 . 12 1 1 A 25 25 ASP HA H 25 4.112 4.173 -0.061 1
1 320 . 12 1 1 A 25 25 ASP C C 25 177.457 176.795 0.662 1
1 321 . 12 1 1 A 25 25 ASP CA C 25 51.097 52.718 -1.621 1
1 322 . 12 1 1 A 25 25 ASP CB C 25 43.056 40.653 2.403 1
1 323 . 12 1 1 A 25 25 ASP N N 25 122.856 124.428 -1.572 1
1 324 . 12 1 1 A 26 26 VAL H H 26 7.924 7.898 0.026 1
1 325 . 12 1 1 A 26 26 VAL HA H 26 4.964 4.533 0.431 1
1 333 . 12 1 1 A 26 26 VAL C C 26 176.585 176.707 -0.122 1
1 334 . 12 1 1 A 26 26 VAL CA C 26 59.554 61.604 -2.050 1
1 335 . 12 1 1 A 26 26 VAL CB C 26 30.002 31.827 -1.825 1
1 338 . 12 1 1 A 26 26 VAL N N 26 117.391 120.226 -2.835 1
1 339 . 12 1 1 A 27 27 ARG H H 27 7.773 7.362 0.411 1
1 340 . 12 1 1 A 27 27 ARG HA H 27 4.418 4.100 0.318 1
1 352 . 12 1 1 A 27 27 ARG C C 27 173.931 175.929 -1.998 1
1 353 . 12 1 1 A 27 27 ARG CA C 27 55.487 58.091 -2.604 1
1 354 . 12 1 1 A 27 27 ARG CB C 27 30.337 30.866 -0.529 1
1 357 . 12 1 1 A 27 27 ARG N N 27 121.126 120.884 0.242 1
1 361 . 12 1 1 A 28 28 ASP H H 28 7.792 7.757 0.035 1
1 362 . 12 1 1 A 28 28 ASP HA H 28 4.431 4.810 -0.379 1
1 365 . 12 1 1 A 28 28 ASP C C 28 176.402 175.981 0.421 1
1 366 . 12 1 1 A 28 28 ASP CA C 28 54.427 53.702 0.725 1
1 367 . 12 1 1 A 28 28 ASP CB C 28 41.498 43.800 -2.302 1
1 368 . 12 1 1 A 28 28 ASP N N 28 115.368 114.445 0.923 1
1 369 . 12 1 1 A 29 29 ARG H H 29 8.781 8.718 0.063 1
1 370 . 12 1 1 A 29 29 ARG HA H 29 3.853 3.910 -0.057 1
1 378 . 12 1 1 A 29 29 ARG C C 29 177.811 177.780 0.031 1
1 379 . 12 1 1 A 29 29 ARG CA C 29 58.920 59.912 -0.992 1
1 380 . 12 1 1 A 29 29 ARG CB C 29 29.762 30.001 -0.239 1
1 383 . 12 1 1 A 29 29 ARG N N 29 121.538 125.588 -4.050 1
1 385 . 12 1 1 A 30 30 SER H H 30 8.478 8.457 0.021 1
1 386 . 12 1 1 A 30 30 SER HA H 30 4.190 4.197 -0.007 1
1 389 . 12 1 1 A 30 30 SER C C 30 176.814 177.017 -0.203 1
1 390 . 12 1 1 A 30 30 SER CA C 30 61.929 61.229 0.700 1
1 391 . 12 1 1 A 30 30 SER CB C 30 62.051 62.223 -0.172 1
1 392 . 12 1 1 A 30 30 SER N N 30 113.937 115.391 -1.454 1
1 393 . 12 1 1 A 31 31 THR H H 31 7.724 8.078 -0.354 1
1 394 . 12 1 1 A 31 31 THR HA H 31 4.096 3.905 0.191 1
1 399 . 12 1 1 A 31 31 THR C C 31 176.940 176.181 0.759 1
1 400 . 12 1 1 A 31 31 THR CA C 31 66.078 66.584 -0.506 1
1 401 . 12 1 1 A 31 31 THR CB C 31 67.583 68.817 -1.234 1
1 403 . 12 1 1 A 31 31 THR N N 31 120.025 117.111 2.914 1
1 404 . 12 1 1 A 32 32 TYR H H 32 8.186 8.508 -0.322 1
1 405 . 12 1 1 A 32 32 TYR HA H 32 4.009 4.298 -0.289 1
1 410 . 12 1 1 A 32 32 TYR C C 32 180.166 177.521 2.645 1
1 411 . 12 1 1 A 32 32 TYR CA C 32 61.797 62.332 -0.535 1
1 412 . 12 1 1 A 32 32 TYR CB C 32 37.300 38.581 -1.281 1
1 415 . 12 1 1 A 32 32 TYR N N 32 123.636 122.397 1.239 1
1 416 . 12 1 1 A 33 33 ASN H H 33 8.838 8.043 0.795 1
1 417 . 12 1 1 A 33 33 ASN HA H 33 4.435 4.362 0.073 1
1 422 . 12 1 1 A 33 33 ASN C C 33 176.730 178.287 -1.557 1
1 423 . 12 1 1 A 33 33 ASN CA C 33 55.167 56.405 -1.238 1
1 424 . 12 1 1 A 33 33 ASN CB C 33 37.308 37.740 -0.432 1
1 425 . 12 1 1 A 33 33 ASN N N 33 122.000 118.016 3.984 1
1 427 . 12 1 1 A 34 34 ASP H H 34 7.510 8.203 -0.693 1
1 428 . 12 1 1 A 34 34 ASP HA H 34 4.587 4.428 0.159 1
1 431 . 12 1 1 A 34 34 ASP C C 34 177.045 177.166 -0.121 1
1 432 . 12 1 1 A 34 34 ASP CA C 34 56.487 56.987 -0.500 1
1 433 . 12 1 1 A 34 34 ASP CB C 34 40.822 41.410 -0.588 1
1 434 . 12 1 1 A 34 34 ASP N N 34 119.832 117.395 2.437 1
1 435 . 12 1 1 A 35 35 GLY H H 35 7.412 7.652 -0.240 1
1 436 . 12 1 1 A 35 35 GLY HA2 H 35 3.997 4.094 -0.097 1
1 437 . 12 1 1 A 35 35 GLY HA3 H 35 3.997 4.149 -0.152 1
1 438 . 12 1 1 A 35 35 GLY C C 35 171.246 171.927 -0.681 1
1 439 . 12 1 1 A 35 35 GLY CA C 35 46.441 45.526 0.915 1
1 440 . 12 1 1 A 35 35 GLY N N 35 106.611 103.222 3.389 1
1 441 . 12 1 1 A 36 36 HIS H H 36 8.441 8.943 -0.502 1
1 442 . 12 1 1 A 36 36 HIS HA H 36 4.782 5.606 -0.824 1
1 447 . 12 1 1 A 36 36 HIS C C 36 172.800 173.984 -1.184 1
1 448 . 12 1 1 A 36 36 HIS CA C 36 53.425 53.225 0.200 1
1 449 . 12 1 1 A 36 36 HIS CB C 36 31.978 32.656 -0.678 1
1 452 . 12 1 1 A 36 36 HIS N N 36 117.929 120.791 -2.862 1
1 455 . 12 1 1 A 37 37 ILE H H 37 8.087 8.781 -0.694 1
1 456 . 12 1 1 A 37 37 ILE HA H 37 3.223 3.542 -0.319 1
1 466 . 12 1 1 A 37 37 ILE C C 37 175.423 176.186 -0.763 1
1 467 . 12 1 1 A 37 37 ILE CA C 37 64.607 61.975 2.632 1
1 468 . 12 1 1 A 37 37 ILE CB C 37 37.269 37.486 -0.217 1
1 472 . 12 1 1 A 37 37 ILE N N 37 120.831 121.216 -0.385 1
1 473 . 12 1 1 A 38 38 MET H H 38 7.625 8.281 -0.656 1
1 474 . 12 1 1 A 38 38 MET HA H 38 3.953 4.542 -0.589 1
1 482 . 12 1 1 A 38 38 MET C C 38 174.632 177.166 -2.534 1
1 483 . 12 1 1 A 38 38 MET CA C 38 57.865 56.965 0.900 1
1 484 . 12 1 1 A 38 38 MET CB C 38 32.882 32.168 0.714 1
1 487 . 12 1 1 A 38 38 MET N N 38 128.683 125.594 3.089 1
1 488 . 12 1 1 A 39 39 GLY H H 39 8.795 8.880 -0.085 1
1 489 . 12 1 1 A 39 39 GLY HA2 H 39 3.727 3.950 -0.223 1
1 490 . 12 1 1 A 39 39 GLY HA3 H 39 4.345 3.964 0.381 1
1 491 . 12 1 1 A 39 39 GLY C C 39 175.442 174.745 0.697 1
1 492 . 12 1 1 A 39 39 GLY CA C 39 44.964 45.715 -0.751 1
1 493 . 12 1 1 A 39 39 GLY N N 39 113.814 114.572 -0.758 1
1 494 . 12 1 1 A 40 40 ALA H H 40 8.566 8.032 0.534 1
1 495 . 12 1 1 A 40 40 ALA HA H 40 4.656 4.594 0.062 1
1 499 . 12 1 1 A 40 40 ALA C C 40 177.459 176.618 0.841 1
1 500 . 12 1 1 A 40 40 ALA CA C 40 52.139 52.036 0.103 1
1 501 . 12 1 1 A 40 40 ALA CB C 40 20.657 20.758 -0.101 1
1 502 . 12 1 1 A 40 40 ALA N N 40 122.444 124.016 -1.572 1
1 503 . 12 1 1 A 41 41 MET H H 41 9.268 9.032 0.236 1
1 504 . 12 1 1 A 41 41 MET HA H 41 4.478 4.895 -0.417 1
1 512 . 12 1 1 A 41 41 MET C C 41 174.328 175.166 -0.838 1
1 513 . 12 1 1 A 41 41 MET CA C 41 54.330 53.875 0.455 1
1 514 . 12 1 1 A 41 41 MET CB C 41 34.473 34.167 0.306 1
1 517 . 12 1 1 A 41 41 MET N N 41 123.908 119.434 4.474 1
1 518 . 12 1 1 A 42 42 ALA H H 42 8.162 8.268 -0.106 1
1 519 . 12 1 1 A 42 42 ALA HA H 42 3.870 3.550 0.320 1
1 523 . 12 1 1 A 42 42 ALA C C 42 177.157 176.128 1.029 1
1 524 . 12 1 1 A 42 42 ALA CA C 42 51.888 51.176 0.712 1
1 525 . 12 1 1 A 42 42 ALA CB C 42 16.282 16.947 -0.665 1
1 526 . 12 1 1 A 42 42 ALA N N 42 126.936 125.230 1.706 1
1 527 . 12 1 1 A 43 43 MET H H 43 8.109 8.018 0.091 1
1 528 . 12 1 1 A 43 43 MET HA H 43 4.386 4.966 -0.580 1
1 536 . 12 1 1 A 43 43 MET C C 43 168.952 173.630 -4.678 1
1 537 . 12 1 1 A 43 43 MET CA C 43 53.535 52.468 1.067 1
1 538 . 12 1 1 A 43 43 MET CB C 43 34.346 33.080 1.266 1
1 541 . 12 1 1 A 43 43 MET N N 43 125.282 122.740 2.542 1
1 542 . 12 1 1 A 44 44 PRO HA H 44 3.949 4.601 -0.652 1
1 549 . 12 1 1 A 44 44 PRO C C 44 179.070 178.017 1.053 1
1 550 . 12 1 1 A 44 44 PRO CA C 44 62.524 62.843 -0.319 1
1 551 . 12 1 1 A 44 44 PRO CB C 44 32.611 32.378 0.233 1
1 554 . 12 1 1 A 45 45 ILE H H 45 7.764 8.642 -0.878 1
1 555 . 12 1 1 A 45 45 ILE HA H 45 3.851 3.917 -0.066 1
1 565 . 12 1 1 A 45 45 ILE C C 45 175.827 177.328 -1.501 1
1 566 . 12 1 1 A 45 45 ILE CA C 45 64.676 63.263 1.413 1
1 567 . 12 1 1 A 45 45 ILE CB C 45 38.991 38.050 0.941 1
1 571 . 12 1 1 A 45 45 ILE N N 45 121.655 125.108 -3.453 1
1 572 . 12 1 1 A 46 46 GLU H H 46 9.102 9.063 0.039 1
1 573 . 12 1 1 A 46 46 GLU HA H 46 4.056 4.002 0.054 1
1 578 . 12 1 1 A 46 46 GLU C C 46 176.499 177.245 -0.746 1
1 579 . 12 1 1 A 46 46 GLU CA C 46 59.349 59.292 0.057 1
1 580 . 12 1 1 A 46 46 GLU CB C 46 28.456 29.039 -0.583 1
1 582 . 12 1 1 A 46 46 GLU N N 46 121.004 119.292 1.712 1
1 583 . 12 1 1 A 47 47 ASP H H 47 7.729 7.774 -0.045 1
1 584 . 12 1 1 A 47 47 ASP HA H 47 5.059 4.710 0.349 1
1 587 . 12 1 1 A 47 47 ASP C C 47 175.683 176.982 -1.299 1
1 588 . 12 1 1 A 47 47 ASP CA C 47 53.266 53.960 -0.694 1
1 589 . 12 1 1 A 47 47 ASP CB C 47 42.048 41.100 0.948 1
1 590 . 12 1 1 A 47 47 ASP N N 47 117.171 120.879 -3.708 1
1 591 . 12 1 1 A 48 48 LEU H H 48 7.193 7.565 -0.372 1
1 592 . 12 1 1 A 48 48 LEU HA H 48 3.690 3.885 -0.195 1
1 602 . 12 1 1 A 48 48 LEU C C 48 176.829 178.408 -1.579 1
1 603 . 12 1 1 A 48 48 LEU CA C 48 58.905 58.911 -0.006 1
1 604 . 12 1 1 A 48 48 LEU CB C 48 43.334 41.699 1.635 1
1 608 . 12 1 1 A 48 48 LEU N N 48 121.314 121.072 0.242 1
1 609 . 12 1 1 A 49 49 VAL H H 49 8.507 8.060 0.447 1
1 610 . 12 1 1 A 49 49 VAL HA H 49 3.290 3.531 -0.241 1
1 618 . 12 1 1 A 49 49 VAL C C 49 178.915 177.208 1.707 1
1 619 . 12 1 1 A 49 49 VAL CA C 49 67.886 66.967 0.919 1
1 620 . 12 1 1 A 49 49 VAL CB C 49 30.881 31.753 -0.872 1
1 623 . 12 1 1 A 49 49 VAL N N 49 116.698 119.281 -2.583 1
1 624 . 12 1 1 A 50 50 ASP H H 50 8.474 8.255 0.219 1
1 625 . 12 1 1 A 50 50 ASP HA H 50 4.396 4.409 -0.013 1
1 628 . 12 1 1 A 50 50 ASP C C 50 178.890 179.225 -0.335 1
1 629 . 12 1 1 A 50 50 ASP CA C 50 57.477 57.396 0.081 1
1 630 . 12 1 1 A 50 50 ASP CB C 50 40.945 40.086 0.859 1
1 631 . 12 1 1 A 50 50 ASP N N 50 121.526 119.263 2.263 1
1 632 . 12 1 1 A 51 51 ARG H H 51 8.334 8.269 0.065 1
1 633 . 12 1 1 A 51 51 ARG HA H 51 4.079 4.012 0.067 1
1 641 . 12 1 1 A 51 51 ARG C C 51 179.634 178.992 0.642 1
1 642 . 12 1 1 A 51 51 ARG CA C 51 58.378 59.415 -1.037 1
1 643 . 12 1 1 A 51 51 ARG CB C 51 29.692 30.185 -0.493 1
1 646 . 12 1 1 A 51 51 ARG N N 51 118.666 119.322 -0.656 1
1 648 . 12 1 1 A 52 52 ALA H H 52 9.250 8.109 1.141 1
1 649 . 12 1 1 A 52 52 ALA HA H 52 3.752 4.091 -0.339 1
1 653 . 12 1 1 A 52 52 ALA C C 52 179.710 179.604 0.106 1
1 654 . 12 1 1 A 52 52 ALA CA C 52 55.830 55.306 0.524 1
1 655 . 12 1 1 A 52 52 ALA CB C 52 18.164 17.752 0.412 1
1 656 . 12 1 1 A 52 52 ALA N N 52 124.004 121.985 2.019 1
1 657 . 12 1 1 A 53 53 SER H H 53 8.392 8.205 0.187 1
1 658 . 12 1 1 A 53 53 SER HA H 53 4.457 4.241 0.216 1
1 661 . 12 1 1 A 53 53 SER C C 53 175.807 176.863 -1.056 1
1 662 . 12 1 1 A 53 53 SER CA C 53 62.214 61.303 0.911 1
1 663 . 12 1 1 A 53 53 SER CB C 53 62.805 63.392 -0.587 1
1 664 . 12 1 1 A 53 53 SER N N 53 111.154 113.570 -2.416 1
1 665 . 12 1 1 A 54 54 SER H H 54 7.570 7.711 -0.141 1
1 666 . 12 1 1 A 54 54 SER HA H 54 4.512 4.225 0.287 1
1 669 . 12 1 1 A 54 54 SER C C 54 175.210 175.399 -0.189 1
1 670 . 12 1 1 A 54 54 SER CA C 54 59.567 60.882 -1.315 1
1 671 . 12 1 1 A 54 54 SER CB C 54 63.902 62.833 1.069 1
1 672 . 12 1 1 A 54 54 SER N N 54 112.745 115.724 -2.979 1
1 673 . 12 1 1 A 55 55 SER H H 55 7.501 7.900 -0.399 1
1 674 . 12 1 1 A 55 55 SER HA H 55 4.744 4.596 0.148 1
1 677 . 12 1 1 A 55 55 SER C C 55 173.106 174.388 -1.282 1
1 678 . 12 1 1 A 55 55 SER CA C 55 59.905 59.742 0.163 1
1 679 . 12 1 1 A 55 55 SER CB C 55 65.881 65.566 0.315 1
1 680 . 12 1 1 A 55 55 SER N N 55 113.238 114.867 -1.629 1
1 681 . 12 1 1 A 56 56 LEU H H 56 8.320 7.964 0.356 1
1 682 . 12 1 1 A 56 56 LEU HA H 56 4.823 4.306 0.517 1
1 692 . 12 1 1 A 56 56 LEU C C 56 175.441 177.078 -1.637 1
1 693 . 12 1 1 A 56 56 LEU CA C 56 53.476 55.114 -1.638 1
1 694 . 12 1 1 A 56 56 LEU CB C 56 44.655 42.542 2.113 1
1 698 . 12 1 1 A 56 56 LEU N N 56 122.043 120.116 1.927 1
1 699 . 12 1 1 A 57 57 GLU H H 57 8.510 8.526 -0.016 1
1 700 . 12 1 1 A 57 57 GLU HA H 57 4.334 4.418 -0.084 1
1 705 . 12 1 1 A 57 57 GLU C C 57 177.869 177.342 0.527 1
1 706 . 12 1 1 A 57 57 GLU CA C 57 55.911 56.360 -0.449 1
1 707 . 12 1 1 A 57 57 GLU CB C 57 30.193 31.566 -1.373 1
1 709 . 12 1 1 A 57 57 GLU N N 57 121.479 123.101 -1.622 1
1 710 . 12 1 1 A 58 58 LYS H H 58 8.513 8.894 -0.381 1
1 711 . 12 1 1 A 58 58 LYS HA H 58 3.811 3.739 0.072 1
1 720 . 12 1 1 A 58 58 LYS C C 58 178.345 177.565 0.780 1
1 721 . 12 1 1 A 58 58 LYS CA C 58 58.526 58.696 -0.170 1
1 722 . 12 1 1 A 58 58 LYS CB C 58 31.265 31.828 -0.563 1
1 726 . 12 1 1 A 58 58 LYS N N 58 120.689 126.229 -5.540 1
1 727 . 12 1 1 A 59 59 SER H H 59 7.912 7.739 0.173 1
1 728 . 12 1 1 A 59 59 SER HA H 59 4.437 4.012 0.425 1
1 731 . 12 1 1 A 59 59 SER C C 59 174.216 174.423 -0.207 1
1 732 . 12 1 1 A 59 59 SER CA C 59 57.862 58.289 -0.427 1
1 733 . 12 1 1 A 59 59 SER CB C 59 63.682 63.590 0.092 1
1 734 . 12 1 1 A 59 59 SER N N 59 111.530 111.039 0.491 1
1 735 . 12 1 1 A 60 60 ARG H H 60 7.477 7.697 -0.220 1
1 736 . 12 1 1 A 60 60 ARG HA H 60 4.199 4.310 -0.111 1
1 744 . 12 1 1 A 60 60 ARG C C 60 174.880 175.380 -0.500 1
1 745 . 12 1 1 A 60 60 ARG CA C 60 55.828 56.019 -0.191 1
1 746 . 12 1 1 A 60 60 ARG CB C 60 31.971 30.903 1.068 1
1 749 . 12 1 1 A 60 60 ARG N N 60 125.535 123.114 2.421 1
1 751 . 12 1 1 A 61 61 ASP H H 61 8.540 8.700 -0.160 1
1 752 . 12 1 1 A 61 61 ASP HA H 61 4.903 4.713 0.190 1
1 755 . 12 1 1 A 61 61 ASP C C 61 175.569 175.814 -0.245 1
1 756 . 12 1 1 A 61 61 ASP CA C 61 55.438 54.400 1.038 1
1 757 . 12 1 1 A 61 61 ASP CB C 61 40.847 40.602 0.245 1
1 758 . 12 1 1 A 61 61 ASP N N 61 126.761 125.247 1.514 1
1 759 . 12 1 1 A 62 62 ILE H H 62 8.630 8.919 -0.289 1
1 760 . 12 1 1 A 62 62 ILE HA H 62 5.038 4.933 0.105 1
1 770 . 12 1 1 A 62 62 ILE C C 62 174.444 174.172 0.272 1
1 771 . 12 1 1 A 62 62 ILE CA C 62 59.799 60.374 -0.575 1
1 772 . 12 1 1 A 62 62 ILE CB C 62 42.130 39.842 2.288 1
1 776 . 12 1 1 A 62 62 ILE N N 62 125.212 125.214 -0.002 1
1 777 . 12 1 1 A 63 63 TYR H H 63 9.026 9.251 -0.225 1
1 778 . 12 1 1 A 63 63 TYR HA H 63 5.230 5.319 -0.089 1
1 785 . 12 1 1 A 63 63 TYR C C 63 175.088 174.628 0.460 1
1 786 . 12 1 1 A 63 63 TYR CA C 63 56.143 57.063 -0.920 1
1 787 . 12 1 1 A 63 63 TYR CB C 63 41.302 39.760 1.542 1
1 792 . 12 1 1 A 63 63 TYR N N 63 125.467 127.507 -2.040 1
1 793 . 12 1 1 A 64 64 VAL H H 64 8.523 9.223 -0.700 1
1 794 . 12 1 1 A 64 64 VAL HA H 64 5.106 4.759 0.347 1
1 802 . 12 1 1 A 64 64 VAL C C 64 174.072 175.201 -1.129 1
1 803 . 12 1 1 A 64 64 VAL CA C 64 60.302 61.702 -1.400 1
1 804 . 12 1 1 A 64 64 VAL CB C 64 35.121 33.151 1.970 1
1 807 . 12 1 1 A 64 64 VAL N N 64 121.014 123.729 -2.715 1
1 808 . 12 1 1 A 65 65 TYR H H 65 8.832 8.975 -0.143 1
1 809 . 12 1 1 A 65 65 TYR HA H 65 5.289 5.813 -0.524 1
1 816 . 12 1 1 A 65 65 TYR C C 65 172.116 173.538 -1.422 1
1 817 . 12 1 1 A 65 65 TYR CA C 65 56.777 55.021 1.756 1
1 818 . 12 1 1 A 65 65 TYR CB C 65 42.528 41.896 0.632 1
1 819 . 12 1 1 A 65 65 TYR N N 65 120.331 123.017 -2.686 1
1 820 . 12 1 1 A 66 66 GLY H H 66 8.278 9.008 -0.730 1
1 821 . 12 1 1 A 66 66 GLY HA2 H 66 3.449 4.112 -0.663 1
1 822 . 12 1 1 A 66 66 GLY HA3 H 66 4.408 4.214 0.194 1
1 823 . 12 1 1 A 66 66 GLY C C 66 173.636 174.798 -1.162 1
1 824 . 12 1 1 A 66 66 GLY CA C 66 43.793 44.035 -0.242 1
1 825 . 12 1 1 A 66 66 GLY N N 66 108.458 109.108 -0.650 1
1 826 . 12 1 1 A 67 67 ALA H H 67 9.485 8.765 0.720 1
1 827 . 12 1 1 A 67 67 ALA HA H 67 4.331 4.174 0.157 1
1 831 . 12 1 1 A 67 67 ALA C C 67 176.363 177.234 -0.871 1
1 832 . 12 1 1 A 67 67 ALA CA C 67 52.848 54.989 -2.141 1
1 833 . 12 1 1 A 67 67 ALA CB C 67 18.178 19.240 -1.062 1
1 834 . 12 1 1 A 67 67 ALA N N 67 126.325 121.814 4.511 1
1 835 . 12 1 1 A 68 68 GLY H H 68 7.553 7.882 -0.329 1
1 836 . 12 1 1 A 68 68 GLY HA2 H 68 4.270 4.171 0.099 1
1 837 . 12 1 1 A 68 68 GLY HA3 H 68 4.209 4.177 0.032 1
1 838 . 12 1 1 A 68 68 GLY C C 68 173.695 174.835 -1.140 1
1 839 . 12 1 1 A 68 68 GLY CA C 68 44.112 43.907 0.205 1
1 840 . 12 1 1 A 68 68 GLY N N 68 106.057 104.930 1.127 1
1 841 . 12 1 1 A 69 69 ASP H H 69 8.904 9.010 -0.106 1
1 842 . 12 1 1 A 69 69 ASP HA H 69 4.408 4.298 0.110 1
1 845 . 12 1 1 A 69 69 ASP C C 69 178.531 178.510 0.021 1
1 846 . 12 1 1 A 69 69 ASP CA C 69 57.592 57.062 0.530 1
1 847 . 12 1 1 A 69 69 ASP CB C 69 40.198 40.208 -0.010 1
1 848 . 12 1 1 A 69 69 ASP N N 69 121.078 119.852 1.226 1
1 849 . 12 1 1 A 70 70 GLU H H 70 8.905 8.385 0.520 1
1 850 . 12 1 1 A 70 70 GLU HA H 70 4.110 3.993 0.117 1
1 855 . 12 1 1 A 70 70 GLU C C 70 178.745 178.948 -0.203 1
1 856 . 12 1 1 A 70 70 GLU CA C 70 59.956 59.782 0.174 1
1 857 . 12 1 1 A 70 70 GLU CB C 70 28.534 29.147 -0.613 1
1 859 . 12 1 1 A 70 70 GLU N N 70 120.998 119.920 1.078 1
1 860 . 12 1 1 A 71 71 GLN H H 71 8.453 7.809 0.644 1
1 861 . 12 1 1 A 71 71 GLN HA H 71 4.106 4.054 0.052 1
1 868 . 12 1 1 A 71 71 GLN C C 71 178.164 178.674 -0.510 1
1 869 . 12 1 1 A 71 71 GLN CA C 71 59.350 58.624 0.726 1
1 870 . 12 1 1 A 71 71 GLN CB C 71 29.682 28.120 1.562 1
1 872 . 12 1 1 A 71 71 GLN N N 71 121.273 118.906 2.367 1
1 874 . 12 1 1 A 72 72 THR H H 72 8.267 8.063 0.204 1
1 875 . 12 1 1 A 72 72 THR HA H 72 3.524 3.867 -0.343 1
1 880 . 12 1 1 A 72 72 THR C C 72 175.546 176.391 -0.845 1
1 881 . 12 1 1 A 72 72 THR CA C 72 67.395 66.454 0.941 1
1 882 . 12 1 1 A 72 72 THR CB C 72 68.145 68.908 -0.763 1
1 884 . 12 1 1 A 72 72 THR N N 72 115.641 117.644 -2.003 1
1 885 . 12 1 1 A 73 73 SER H H 73 8.265 8.378 -0.113 1
1 886 . 12 1 1 A 73 73 SER HA H 73 4.029 4.177 -0.148 1
1 889 . 12 1 1 A 73 73 SER C C 73 176.825 177.120 -0.295 1
1 890 . 12 1 1 A 73 73 SER CA C 73 61.746 61.278 0.468 1
1 891 . 12 1 1 A 73 73 SER CB C 73 62.746 62.856 -0.110 1
1 892 . 12 1 1 A 73 73 SER N N 73 115.814 115.294 0.520 1
1 893 . 12 1 1 A 74 74 GLN H H 74 8.119 8.039 0.080 1
1 894 . 12 1 1 A 74 74 GLN HA H 74 4.090 4.045 0.045 1
1 901 . 12 1 1 A 74 74 GLN C C 74 178.630 177.782 0.848 1
1 902 . 12 1 1 A 74 74 GLN CA C 74 58.903 58.521 0.382 1
1 903 . 12 1 1 A 74 74 GLN CB C 74 27.943 28.758 -0.815 1
1 905 . 12 1 1 A 74 74 GLN N N 74 121.446 120.633 0.813 1
1 907 . 12 1 1 A 75 75 ALA H H 75 8.210 7.694 0.516 1
1 908 . 12 1 1 A 75 75 ALA HA H 75 3.879 4.033 -0.154 1
1 912 . 12 1 1 A 75 75 ALA C C 75 178.843 179.824 -0.981 1
1 913 . 12 1 1 A 75 75 ALA CA C 75 54.959 55.111 -0.152 1
1 914 . 12 1 1 A 75 75 ALA CB C 75 20.226 18.362 1.864 1
1 915 . 12 1 1 A 75 75 ALA N N 75 121.007 122.267 -1.260 1
1 916 . 12 1 1 A 76 76 VAL H H 76 8.257 7.886 0.371 1
1 917 . 12 1 1 A 76 76 VAL HA H 76 3.472 3.464 0.008 1
1 925 . 12 1 1 A 76 76 VAL C C 76 177.639 177.920 -0.281 1
1 926 . 12 1 1 A 76 76 VAL CA C 76 67.080 66.830 0.250 1
1 927 . 12 1 1 A 76 76 VAL CB C 76 30.945 31.508 -0.563 1
1 930 . 12 1 1 A 76 76 VAL N N 76 116.281 118.893 -2.612 1
1 931 . 12 1 1 A 77 77 ASN H H 77 8.190 8.132 0.058 1
1 932 . 12 1 1 A 77 77 ASN HA H 77 4.430 4.388 0.042 1
1 937 . 12 1 1 A 77 77 ASN C C 77 178.638 177.832 0.806 1
1 938 . 12 1 1 A 77 77 ASN CA C 77 56.666 56.707 -0.041 1
1 939 . 12 1 1 A 77 77 ASN CB C 77 37.950 39.423 -1.473 1
1 940 . 12 1 1 A 77 77 ASN N N 77 118.786 118.789 -0.003 1
1 942 . 12 1 1 A 78 78 LEU H H 78 8.222 7.968 0.254 1
1 943 . 12 1 1 A 78 78 LEU HA H 78 4.045 3.974 0.071 1
1 953 . 12 1 1 A 78 78 LEU C C 78 180.246 179.506 0.740 1
1 954 . 12 1 1 A 78 78 LEU CA C 78 57.926 58.445 -0.519 1
1 955 . 12 1 1 A 78 78 LEU CB C 78 41.892 41.541 0.351 1
1 959 . 12 1 1 A 78 78 LEU N N 78 121.759 120.152 1.607 1
1 960 . 12 1 1 A 79 79 LEU H H 79 7.887 8.197 -0.310 1
1 961 . 12 1 1 A 79 79 LEU HA H 79 4.051 3.923 0.128 1
1 971 . 12 1 1 A 79 79 LEU C C 79 179.804 179.782 0.022 1
1 972 . 12 1 1 A 79 79 LEU CA C 79 57.788 58.209 -0.421 1
1 973 . 12 1 1 A 79 79 LEU CB C 79 41.616 41.232 0.384 1
1 977 . 12 1 1 A 79 79 LEU N N 79 118.127 119.074 -0.947 1
1 978 . 12 1 1 A 80 80 ARG H H 80 8.942 8.436 0.506 1
1 979 . 12 1 1 A 80 80 ARG HA H 80 4.516 4.412 0.104 1
1 987 . 12 1 1 A 80 80 ARG C C 80 181.546 178.535 3.011 1
1 988 . 12 1 1 A 80 80 ARG CA C 80 60.006 58.731 1.275 1
1 989 . 12 1 1 A 80 80 ARG CB C 80 29.510 29.805 -0.295 1
1 992 . 12 1 1 A 80 80 ARG N N 80 120.974 118.938 2.036 1
1 994 . 12 1 1 A 81 81 SER H H 81 8.394 8.301 0.093 1
1 995 . 12 1 1 A 81 81 SER HA H 81 4.307 4.191 0.116 1
1 998 . 12 1 1 A 81 81 SER C C 81 174.601 176.251 -1.650 1
1 999 . 12 1 1 A 81 81 SER CA C 81 61.570 61.259 0.311 1
1 1000 . 12 1 1 A 81 81 SER CB C 81 62.832 63.180 -0.348 1
1 1001 . 12 1 1 A 81 81 SER N N 81 116.329 115.215 1.114 1
1 1002 . 12 1 1 A 82 82 ALA H H 82 7.507 7.500 0.007 1
1 1003 . 12 1 1 A 82 82 ALA HA H 82 4.546 4.411 0.135 1
1 1007 . 12 1 1 A 82 82 ALA C C 82 176.449 177.810 -1.361 1
1 1008 . 12 1 1 A 82 82 ALA CA C 82 51.759 52.103 -0.344 1
1 1009 . 12 1 1 A 82 82 ALA CB C 82 18.850 19.461 -0.611 1
1 1010 . 12 1 1 A 82 82 ALA N N 82 122.576 119.700 2.876 1
1 1011 . 12 1 1 A 83 83 GLY H H 83 7.678 7.998 -0.320 1
1 1012 . 12 1 1 A 83 83 GLY HA2 H 83 3.623 3.868 -0.245 1
1 1013 . 12 1 1 A 83 83 GLY HA3 H 83 4.217 3.942 0.275 1
1 1014 . 12 1 1 A 83 83 GLY C C 83 174.557 174.530 0.027 1
1 1015 . 12 1 1 A 83 83 GLY CA C 83 44.741 45.090 -0.349 1
1 1016 . 12 1 1 A 83 83 GLY N N 83 104.117 106.827 -2.710 1
1 1017 . 12 1 1 A 84 84 PHE H H 84 7.923 7.640 0.283 1
1 1018 . 12 1 1 A 84 84 PHE HA H 84 4.254 4.378 -0.124 1
1 1026 . 12 1 1 A 84 84 PHE C C 84 176.479 176.047 0.432 1
1 1027 . 12 1 1 A 84 84 PHE CA C 84 60.127 59.164 0.963 1
1 1028 . 12 1 1 A 84 84 PHE CB C 84 36.999 38.744 -1.745 1
1 1034 . 12 1 1 A 84 84 PHE N N 84 119.861 119.660 0.201 1
1 1035 . 12 1 1 A 85 85 GLU H H 85 7.730 9.000 -1.270 1
1 1036 . 12 1 1 A 85 85 GLU HA H 85 3.965 4.273 -0.308 1
1 1041 . 12 1 1 A 85 85 GLU C C 85 176.966 177.175 -0.209 1
1 1042 . 12 1 1 A 85 85 GLU CA C 85 57.841 59.330 -1.489 1
1 1043 . 12 1 1 A 85 85 GLU CB C 85 32.054 29.960 2.094 1
1 1045 . 12 1 1 A 85 85 GLU N N 85 122.200 125.101 -2.901 1
1 1046 . 12 1 1 A 86 86 HIS H H 86 9.957 7.849 2.108 1
1 1047 . 12 1 1 A 86 86 HIS HA H 86 4.988 4.853 0.135 1
1 1052 . 12 1 1 A 86 86 HIS C C 86 171.400 174.165 -2.765 1
1 1053 . 12 1 1 A 86 86 HIS CA C 86 53.063 54.789 -1.726 1
1 1054 . 12 1 1 A 86 86 HIS CB C 86 29.823 28.413 1.410 1
1 1057 . 12 1 1 A 86 86 HIS N N 86 122.245 117.501 4.744 1
1 1060 . 12 1 1 A 87 87 VAL H H 87 8.233 9.013 -0.780 1
1 1061 . 12 1 1 A 87 87 VAL HA H 87 4.934 4.771 0.163 1
1 1069 . 12 1 1 A 87 87 VAL C C 87 175.510 174.139 1.371 1
1 1070 . 12 1 1 A 87 87 VAL CA C 87 59.972 60.678 -0.706 1
1 1071 . 12 1 1 A 87 87 VAL CB C 87 33.883 35.151 -1.268 1
1 1074 . 12 1 1 A 87 87 VAL N N 87 120.946 124.929 -3.983 1
1 1075 . 12 1 1 A 88 88 SER H H 88 8.968 9.083 -0.115 1
1 1076 . 12 1 1 A 88 88 SER HA H 88 4.869 5.307 -0.438 1
1 1079 . 12 1 1 A 88 88 SER C C 88 174.093 173.012 1.081 1
1 1080 . 12 1 1 A 88 88 SER CA C 88 55.935 56.606 -0.671 1
1 1081 . 12 1 1 A 88 88 SER CB C 88 66.077 65.658 0.419 1
1 1082 . 12 1 1 A 88 88 SER N N 88 121.913 122.408 -0.495 1
1 1083 . 12 1 1 A 89 89 GLU H H 89 8.628 8.358 0.270 1
1 1084 . 12 1 1 A 89 89 GLU HA H 89 4.233 4.911 -0.678 1
1 1089 . 12 1 1 A 89 89 GLU C C 89 175.212 175.468 -0.256 1
1 1090 . 12 1 1 A 89 89 GLU CA C 89 55.728 55.751 -0.023 1
1 1091 . 12 1 1 A 89 89 GLU CB C 89 31.640 30.518 1.122 1
1 1093 . 12 1 1 A 89 89 GLU N N 89 125.288 122.991 2.297 1
1 1094 . 12 1 1 A 90 90 LEU H H 90 8.727 8.832 -0.105 1
1 1095 . 12 1 1 A 90 90 LEU HA H 90 4.829 4.906 -0.077 1
1 1105 . 12 1 1 A 90 90 LEU C C 90 175.893 176.063 -0.170 1
1 1106 . 12 1 1 A 90 90 LEU CA C 90 53.771 54.776 -1.005 1
1 1107 . 12 1 1 A 90 90 LEU CB C 90 41.511 43.009 -1.498 1
1 1111 . 12 1 1 A 90 90 LEU N N 90 125.766 127.005 -1.239 1
1 1112 . 12 1 1 A 91 91 LYS H H 91 8.715 9.023 -0.308 1
1 1113 . 12 1 1 A 91 91 LYS HA H 91 4.164 3.870 0.294 1
1 1122 . 12 1 1 A 91 91 LYS C C 91 177.680 177.456 0.224 1
1 1123 . 12 1 1 A 91 91 LYS CA C 91 57.796 58.806 -1.010 1
1 1124 . 12 1 1 A 91 91 LYS CB C 91 31.705 32.200 -0.495 1
1 1128 . 12 1 1 A 91 91 LYS N N 91 131.405 127.659 3.746 1
1 1129 . 12 1 1 A 92 92 GLY H H 92 9.408 8.379 1.029 1
1 1130 . 12 1 1 A 92 92 GLY HA2 H 92 3.828 3.967 -0.139 1
1 1131 . 12 1 1 A 92 92 GLY HA3 H 92 4.268 3.967 0.301 1
1 1132 . 12 1 1 A 92 92 GLY C C 92 175.634 173.782 1.852 1
1 1133 . 12 1 1 A 92 92 GLY CA C 92 46.001 45.529 0.472 1
1 1134 . 12 1 1 A 92 92 GLY N N 92 115.262 111.905 3.357 1
1 1135 . 12 1 1 A 93 93 GLY H H 93 7.616 8.484 -0.868 1
1 1136 . 12 1 1 A 93 93 GLY HA2 H 93 3.429 4.193 -0.764 1
1 1137 . 12 1 1 A 93 93 GLY HA3 H 93 4.276 4.240 0.036 1
1 1138 . 12 1 1 A 93 93 GLY C C 93 172.357 174.916 -2.559 1
1 1139 . 12 1 1 A 93 93 GLY CA C 93 46.436 44.041 2.395 1
1 1140 . 12 1 1 A 93 93 GLY N N 93 106.201 107.314 -1.113 1
1 1141 . 12 1 1 A 94 94 LEU H H 94 8.854 8.909 -0.055 1
1 1142 . 12 1 1 A 94 94 LEU HA H 94 3.643 4.182 -0.539 1
1 1152 . 12 1 1 A 94 94 LEU C C 94 178.092 178.601 -0.509 1
1 1153 . 12 1 1 A 94 94 LEU CA C 94 56.966 57.945 -0.979 1
1 1154 . 12 1 1 A 94 94 LEU CB C 94 41.937 42.031 -0.094 1
1 1158 . 12 1 1 A 94 94 LEU N N 94 124.279 124.606 -0.327 1
1 1159 . 12 1 1 A 95 95 ALA H H 95 8.683 8.294 0.389 1
1 1160 . 12 1 1 A 95 95 ALA HA H 95 4.061 4.007 0.054 1
1 1164 . 12 1 1 A 95 95 ALA C C 95 180.877 179.798 1.079 1
1 1165 . 12 1 1 A 95 95 ALA CA C 95 55.406 55.483 -0.077 1
1 1166 . 12 1 1 A 95 95 ALA CB C 95 18.053 17.975 0.078 1
1 1167 . 12 1 1 A 95 95 ALA N N 95 120.253 120.513 -0.260 1
1 1168 . 12 1 1 A 96 96 ALA H H 96 7.249 7.975 -0.726 1
1 1169 . 12 1 1 A 96 96 ALA HA H 96 4.132 4.026 0.106 1
1 1173 . 12 1 1 A 96 96 ALA C C 96 179.350 179.508 -0.158 1
1 1174 . 12 1 1 A 96 96 ALA CA C 96 54.429 54.890 -0.461 1
1 1175 . 12 1 1 A 96 96 ALA CB C 96 18.580 18.239 0.341 1
1 1176 . 12 1 1 A 96 96 ALA N N 96 121.080 119.889 1.191 1
1 1177 . 12 1 1 A 97 97 TRP H H 97 7.636 8.148 -0.512 1
1 1178 . 12 1 1 A 97 97 TRP HA H 97 4.051 4.108 -0.057 1
1 1187 . 12 1 1 A 97 97 TRP C C 97 178.223 178.261 -0.038 1
1 1188 . 12 1 1 A 97 97 TRP CA C 97 59.343 61.678 -2.335 1
1 1189 . 12 1 1 A 97 97 TRP CB C 97 29.734 29.874 -0.140 1
1 1195 . 12 1 1 A 97 97 TRP N N 97 119.015 121.056 -2.041 1
1 1197 . 12 1 1 A 98 98 LYS H H 98 8.764 8.367 0.397 1
1 1198 . 12 1 1 A 98 98 LYS HA H 98 3.886 4.079 -0.193 1
1 1207 . 12 1 1 A 98 98 LYS C C 98 180.503 179.258 1.245 1
1 1208 . 12 1 1 A 98 98 LYS CA C 98 59.365 59.356 0.009 1
1 1209 . 12 1 1 A 98 98 LYS CB C 98 31.899 32.427 -0.528 1
1 1213 . 12 1 1 A 98 98 LYS N N 98 117.855 118.889 -1.034 1
1 1214 . 12 1 1 A 99 99 ALA H H 99 7.802 8.539 -0.737 1
1 1215 . 12 1 1 A 99 99 ALA HA H 99 4.139 4.083 0.056 1
1 1219 . 12 1 1 A 99 99 ALA C C 99 179.188 179.387 -0.199 1
1 1220 . 12 1 1 A 99 99 ALA CA C 99 54.521 55.003 -0.482 1
1 1221 . 12 1 1 A 99 99 ALA CB C 99 18.016 18.295 -0.279 1
1 1222 . 12 1 1 A 99 99 ALA N N 99 121.263 121.959 -0.696 1
1 1223 . 12 1 1 A 100 100 ILE H H 100 6.803 7.535 -0.732 1
1 1224 . 12 1 1 A 100 100 ILE HA H 100 4.509 4.059 0.450 1
1 1234 . 12 1 1 A 100 100 ILE C C 100 175.810 176.496 -0.686 1
1 1235 . 12 1 1 A 100 100 ILE CA C 100 59.964 60.608 -0.644 1
1 1236 . 12 1 1 A 100 100 ILE CB C 100 37.866 37.036 0.830 1
1 1240 . 12 1 1 A 100 100 ILE N N 100 107.978 111.227 -3.249 1
1 1241 . 12 1 1 A 101 101 GLY H H 101 7.741 7.793 -0.052 1
1 1242 . 12 1 1 A 101 101 GLY HA2 H 101 3.618 3.898 -0.280 1
1 1243 . 12 1 1 A 101 101 GLY HA3 H 101 3.866 3.905 -0.039 1
1 1244 . 12 1 1 A 101 101 GLY C C 101 175.319 175.089 0.230 1
1 1245 . 12 1 1 A 101 101 GLY CA C 101 45.444 46.517 -1.073 1
1 1246 . 12 1 1 A 101 101 GLY N N 101 109.732 110.710 -0.978 1
1 1247 . 12 1 1 A 102 102 GLY H H 102 7.823 7.900 -0.077 1
1 1248 . 12 1 1 A 102 102 GLY HA2 H 102 2.942 2.873 0.069 1
1 1249 . 12 1 1 A 102 102 GLY HA3 H 102 2.942 3.580 -0.638 1
1 1250 . 12 1 1 A 102 102 GLY C C 102 171.578 173.002 -1.424 1
1 1251 . 12 1 1 A 102 102 GLY CA C 102 41.964 44.218 -2.254 1
1 1252 . 12 1 1 A 102 102 GLY N N 102 108.608 107.304 1.304 1
1 1253 . 12 1 1 A 103 103 PRO HA H 103 4.643 4.690 -0.047 1
1 1260 . 12 1 1 A 103 103 PRO C C 103 178.778 176.763 2.015 1
1 1261 . 12 1 1 A 103 103 PRO CA C 103 62.843 63.202 -0.359 1
1 1262 . 12 1 1 A 103 103 PRO CB C 103 32.263 31.842 0.421 1
1 1265 . 12 1 1 A 104 104 THR H H 104 8.760 8.496 0.264 1
1 1266 . 12 1 1 A 104 104 THR HA H 104 5.017 5.124 -0.107 1
1 1271 . 12 1 1 A 104 104 THR C C 104 172.498 173.305 -0.807 1
1 1272 . 12 1 1 A 104 104 THR CA C 104 59.729 59.392 0.337 1
1 1273 . 12 1 1 A 104 104 THR CB C 104 72.479 72.202 0.277 1
1 1275 . 12 1 1 A 104 104 THR N N 104 116.086 112.792 3.294 1
1 1276 . 12 1 1 A 105 105 GLU H H 105 8.267 8.789 -0.522 1
1 1277 . 12 1 1 A 105 105 GLU HA H 105 4.499 4.914 -0.415 1
1 1282 . 12 1 1 A 105 105 GLU C C 105 173.848 175.119 -1.271 1
1 1283 . 12 1 1 A 105 105 GLU CA C 105 54.647 54.650 -0.003 1
1 1284 . 12 1 1 A 105 105 GLU CB C 105 34.227 32.087 2.140 1
1 1286 . 12 1 1 A 105 105 GLU N N 105 117.663 120.966 -3.303 1
1 1287 . 12 1 1 A 106 106 GLY H H 106 8.207 8.325 -0.118 1
1 1288 . 12 1 1 A 106 106 GLY HA2 H 106 3.873 4.153 -0.280 1
1 1289 . 12 1 1 A 106 106 GLY HA3 H 106 3.873 4.204 -0.331 1
1 1290 . 12 1 1 A 106 106 GLY C C 106 173.052 174.518 -1.466 1
1 1291 . 12 1 1 A 106 106 GLY CA C 106 44.313 44.468 -0.155 1
1 1292 . 12 1 1 A 106 106 GLY N N 106 108.896 108.389 0.507 1
1 1293 . 12 1 1 A 107 107 ILE H H 107 8.333 8.941 -0.608 1
1 1294 . 12 1 1 A 107 107 ILE HA H 107 4.110 4.084 0.026 1
1 1304 . 12 1 1 A 107 107 ILE C C 107 176.773 177.972 -1.199 1
1 1305 . 12 1 1 A 107 107 ILE CA C 107 62.404 63.679 -1.275 1
1 1306 . 12 1 1 A 107 107 ILE CB C 107 38.826 38.262 0.564 1
1 1310 . 12 1 1 A 107 107 ILE N N 107 119.410 119.750 -0.340 1
1 1311 . 12 1 1 A 108 108 ILE H H 108 8.369 8.041 0.328 1
1 1312 . 12 1 1 A 108 108 ILE HA H 108 4.167 3.790 0.377 1
1 1322 . 12 1 1 A 108 108 ILE C C 108 176.821 178.118 -1.297 1
1 1323 . 12 1 1 A 108 108 ILE CA C 108 61.060 64.085 -3.025 1
1 1324 . 12 1 1 A 108 108 ILE CB C 108 37.984 37.177 0.807 1
1 1328 . 12 1 1 A 108 108 ILE N N 108 122.390 120.702 1.688 1
1 1329 . 12 1 1 A 109 109 GLU H H 109 8.127 8.080 0.047 1
1 1330 . 12 1 1 A 109 109 GLU HA H 109 4.218 4.024 0.194 1
1 1335 . 12 1 1 A 109 109 GLU C C 109 176.438 179.555 -3.117 1
1 1336 . 12 1 1 A 109 109 GLU CA C 109 56.548 59.234 -2.686 1
1 1337 . 12 1 1 A 109 109 GLU CB C 109 30.178 29.337 0.841 1
1 1339 . 12 1 1 A 109 109 GLU N N 109 123.739 121.953 1.786 1
1 1340 . 12 1 1 A 110 110 SER H H 110 8.291 8.139 0.152 1
1 1341 . 12 1 1 A 110 110 SER HA H 110 4.446 4.259 0.187 1
1 1344 . 12 1 1 A 110 110 SER C C 110 174.330 174.076 0.254 1
1 1345 . 12 1 1 A 110 110 SER CA C 110 58.252 61.078 -2.826 1
1 1346 . 12 1 1 A 110 110 SER CB C 110 63.598 63.130 0.468 1
1 1347 . 12 1 1 A 110 110 SER N N 110 116.242 115.137 1.105 1
1 1348 . 12 1 1 A 111 111 ARG H H 111 8.238 8.195 0.043 1
1 1349 . 12 1 1 A 111 111 ARG HA H 111 4.426 4.520 -0.094 1
1 1357 . 12 1 1 A 111 111 ARG C C 111 176.113 175.221 0.892 1
1 1358 . 12 1 1 A 111 111 ARG CA C 111 55.848 54.805 1.043 1
1 1359 . 12 1 1 A 111 111 ARG CB C 111 30.755 30.299 0.456 1
1 1362 . 12 1 1 A 111 111 ARG N N 111 122.827 120.122 2.705 1
1 1364 . 12 1 1 A 112 112 THR H H 112 8.229 8.668 -0.439 1
1 1365 . 12 1 1 A 112 112 THR HA H 112 4.573 4.850 -0.277 1
1 1370 . 12 1 1 A 112 112 THR C C 112 172.790 173.762 -0.972 1
1 1371 . 12 1 1 A 112 112 THR CA C 112 59.716 59.261 0.455 1
1 1372 . 12 1 1 A 112 112 THR CB C 112 69.503 69.475 0.028 1
1 1374 . 12 1 1 A 112 112 THR N N 112 117.863 116.581 1.282 1
1 1375 . 12 1 1 A 113 113 PRO HA H 113 4.388 4.675 -0.287 1
1 1382 . 12 1 1 A 113 113 PRO C C 113 176.605 176.280 0.325 1
1 1383 . 12 1 1 A 113 113 PRO CA C 113 63.131 62.309 0.822 1
1 1384 . 12 1 1 A 113 113 PRO CB C 113 31.931 29.110 2.821 1
1 1387 . 12 1 1 A 114 114 ALA H H 114 8.422 8.039 0.383 1
1 1388 . 12 1 1 A 114 114 ALA HA H 114 4.284 4.360 -0.076 1
1 1392 . 12 1 1 A 114 114 ALA C C 114 178.251 177.840 0.411 1
1 1393 . 12 1 1 A 114 114 ALA CA C 114 52.518 52.611 -0.093 1
1 1394 . 12 1 1 A 114 114 ALA CB C 114 19.131 19.317 -0.186 1
1 1395 . 12 1 1 A 114 114 ALA N N 114 124.466 127.014 -2.548 1
1 1396 . 12 1 1 A 115 115 GLY H H 115 8.380 8.171 0.209 1
1 1397 . 12 1 1 A 115 115 GLY HA2 H 115 3.956 3.940 0.016 1
1 1398 . 12 1 1 A 115 115 GLY HA3 H 115 3.934 3.940 -0.006 1
1 1399 . 12 1 1 A 115 115 GLY C C 115 174.020 173.408 0.612 1
1 1400 . 12 1 1 A 115 115 GLY CA C 115 45.095 47.119 -2.024 1
1 1401 . 12 1 1 A 115 115 GLY N N 115 108.587 106.876 1.711 1
1 1402 . 12 1 1 A 116 116 ALA H H 116 8.127 8.562 -0.435 1
1 1403 . 12 1 1 A 116 116 ALA HA H 116 4.292 4.540 -0.248 1
1 1407 . 12 1 1 A 116 116 ALA C C 116 177.565 177.401 0.164 1
1 1408 . 12 1 1 A 116 116 ALA CA C 116 52.504 52.000 0.504 1
1 1409 . 12 1 1 A 116 116 ALA CB C 116 19.187 19.988 -0.801 1
1 1410 . 12 1 1 A 116 116 ALA N N 116 123.523 126.294 -2.771 1
1 1411 . 12 1 1 A 117 117 ASP H H 117 8.316 8.689 -0.373 1
1 1412 . 12 1 1 A 117 117 ASP HA H 117 4.555 5.009 -0.454 1
1 1415 . 12 1 1 A 117 117 ASP C C 117 175.899 175.476 0.423 1
1 1416 . 12 1 1 A 117 117 ASP CA C 117 54.254 53.245 1.009 1
1 1417 . 12 1 1 A 117 117 ASP CB C 117 40.962 42.456 -1.494 1
1 1418 . 12 1 1 A 117 117 ASP N N 117 118.783 120.444 -1.661 1
1 1419 . 12 1 1 A 118 118 ASP H H 118 8.083 8.722 -0.639 1
1 1420 . 12 1 1 A 118 118 ASP HA H 118 4.529 4.792 -0.263 1
1 1423 . 12 1 1 A 118 118 ASP C C 118 176.278 176.409 -0.131 1
1 1424 . 12 1 1 A 118 118 ASP CA C 118 54.202 54.641 -0.439 1
1 1425 . 12 1 1 A 118 118 ASP CB C 118 40.933 41.349 -0.416 1
1 1426 . 12 1 1 A 118 118 ASP N N 118 119.935 119.233 0.702 1
1 1427 . 12 1 1 A 119 119 TYR H H 119 8.107 9.107 -1.000 1
1 1428 . 12 1 1 A 119 119 TYR HA H 119 4.450 3.976 0.474 1
1 1435 . 12 1 1 A 119 119 TYR C C 119 175.825 175.726 0.099 1
1 1436 . 12 1 1 A 119 119 TYR CA C 119 58.350 61.815 -3.465 1
1 1437 . 12 1 1 A 119 119 TYR CB C 119 38.260 38.767 -0.507 1
1 1442 . 12 1 1 A 119 119 TYR N N 119 120.415 125.522 -5.107 1
1 1443 . 12 1 1 A 120 120 ASN H H 120 8.276 8.194 0.082 1
1 1444 . 12 1 1 A 120 120 ASN HA H 120 4.615 4.445 0.170 1
1 1449 . 12 1 1 A 120 120 ASN C C 120 175.102 174.234 0.868 1
1 1450 . 12 1 1 A 120 120 ASN CA C 120 53.396 54.465 -1.069 1
1 1451 . 12 1 1 A 120 120 ASN CB C 120 38.712 37.357 1.355 1
1 1452 . 12 1 1 A 120 120 ASN N N 120 119.834 116.436 3.398 1
1 1454 . 12 1 1 A 121 121 VAL H H 121 7.897 6.937 0.960 1
1 1455 . 12 1 1 A 121 121 VAL HA H 121 4.009 3.956 0.053 1
1 1463 . 12 1 1 A 121 121 VAL C C 121 176.484 176.042 0.442 1
1 1464 . 12 1 1 A 121 121 VAL CA C 121 62.950 62.560 0.390 1
1 1465 . 12 1 1 A 121 121 VAL CB C 121 32.326 30.736 1.590 1
1 1468 . 12 1 1 A 121 121 VAL N N 121 120.109 118.849 1.260 1
1 1469 . 12 1 1 A 122 122 VAL H H 122 8.091 8.453 -0.362 1
1 1470 . 12 1 1 A 122 122 VAL HA H 122 4.014 4.512 -0.498 1
1 1478 . 12 1 1 A 122 122 VAL C C 122 176.568 175.907 0.661 1
1 1479 . 12 1 1 A 122 122 VAL CA C 122 62.924 60.771 2.153 1
1 1480 . 12 1 1 A 122 122 VAL CB C 122 32.279 31.672 0.607 1
1 1483 . 12 1 1 A 122 122 VAL N N 122 122.407 122.819 -0.412 1
1 1484 . 12 1 1 A 123 123 SER H H 123 8.228 7.527 0.701 1
1 1485 . 12 1 1 A 123 123 SER HA H 123 4.385 4.358 0.027 1
1 1488 . 12 1 1 A 123 123 SER C C 123 174.863 173.954 0.909 1
1 1489 . 12 1 1 A 123 123 SER CA C 123 58.525 59.413 -0.888 1
1 1490 . 12 1 1 A 123 123 SER CB C 123 63.450 62.178 1.272 1
1 1491 . 12 1 1 A 123 123 SER N N 123 118.095 120.163 -2.068 1
1 1492 . 12 1 1 A 124 124 ARG H H 124 8.208 8.126 0.082 1
1 1493 . 12 1 1 A 124 124 ARG HA H 124 4.297 4.784 -0.487 1
1 1500 . 12 1 1 A 124 124 ARG C C 124 176.328 174.169 2.159 1
1 1501 . 12 1 1 A 124 124 ARG CA C 124 56.408 55.301 1.107 1
1 1502 . 12 1 1 A 124 124 ARG CB C 124 30.480 32.655 -2.175 1
1 1505 . 12 1 1 A 124 124 ARG N N 124 122.632 126.581 -3.949 1
1 1506 . 12 1 1 A 125 125 LEU H H 125 8.081 8.461 -0.380 1
1 1507 . 12 1 1 A 125 125 LEU HA H 125 4.262 4.670 -0.408 1
1 1517 . 12 1 1 A 125 125 LEU C C 125 177.375 174.401 2.974 1
1 1518 . 12 1 1 A 125 125 LEU CA C 125 55.282 54.704 0.578 1
1 1519 . 12 1 1 A 125 125 LEU CB C 125 42.042 44.017 -1.975 1
1 1523 . 12 1 1 A 125 125 LEU N N 125 121.964 127.423 -5.459 1
1 1524 . 12 1 1 A 126 126 GLU H H 126 8.232 8.680 -0.448 1
1 1525 . 12 1 1 A 126 126 GLU HA H 126 4.179 5.037 -0.858 1
1 1530 . 12 1 1 A 126 126 GLU C C 126 176.238 174.323 1.915 1
1 1531 . 12 1 1 A 126 126 GLU CA C 126 56.451 54.577 1.874 1
1 1532 . 12 1 1 A 126 126 GLU CB C 126 30.131 33.295 -3.164 1
1 14 . 13 1 1 A 2 2 GLU H H 2 8.824 8.821 0.003 1
1 15 . 13 1 1 A 2 2 GLU HA H 2 4.687 4.510 0.177 1
1 20 . 13 1 1 A 2 2 GLU C C 2 175.506 176.466 -0.960 1
1 21 . 13 1 1 A 2 2 GLU CA C 2 54.603 54.489 0.114 1
1 22 . 13 1 1 A 2 2 GLU CB C 2 29.310 29.129 0.181 1
1 24 . 13 1 1 A 2 2 GLU N N 2 125.698 124.353 1.345 1
1 25 . 13 1 1 A 3 3 PRO HA H 3 4.398 4.383 0.015 1
1 32 . 13 1 1 A 3 3 PRO C C 3 176.267 176.613 -0.346 1
1 33 . 13 1 1 A 3 3 PRO CA C 3 64.781 64.740 0.041 1
1 34 . 13 1 1 A 3 3 PRO CB C 3 31.918 32.016 -0.098 1
1 37 . 13 1 1 A 4 4 GLN H H 4 7.738 7.920 -0.182 1
1 38 . 13 1 1 A 4 4 GLN HA H 4 4.908 4.879 0.029 1
1 45 . 13 1 1 A 4 4 GLN C C 4 175.006 173.818 1.188 1
1 46 . 13 1 1 A 4 4 GLN CA C 4 54.697 54.437 0.260 1
1 47 . 13 1 1 A 4 4 GLN CB C 4 31.196 31.614 -0.418 1
1 49 . 13 1 1 A 4 4 GLN N N 4 114.971 118.729 -3.758 1
1 51 . 13 1 1 A 5 5 SER H H 5 9.180 9.277 -0.097 1
1 52 . 13 1 1 A 5 5 SER HA H 5 4.825 5.341 -0.516 1
1 55 . 13 1 1 A 5 5 SER C C 5 172.669 172.543 0.126 1
1 56 . 13 1 1 A 5 5 SER CA C 5 58.100 56.407 1.693 1
1 57 . 13 1 1 A 5 5 SER CB C 5 65.536 65.466 0.070 1
1 58 . 13 1 1 A 5 5 SER N N 5 117.801 119.692 -1.891 1
1 59 . 13 1 1 A 6 6 ASP H H 6 8.386 8.668 -0.282 1
1 60 . 13 1 1 A 6 6 ASP HA H 6 4.841 4.622 0.219 1
1 63 . 13 1 1 A 6 6 ASP C C 6 177.071 177.090 -0.019 1
1 64 . 13 1 1 A 6 6 ASP CA C 6 53.810 54.349 -0.539 1
1 65 . 13 1 1 A 6 6 ASP CB C 6 42.427 42.623 -0.196 1
1 66 . 13 1 1 A 6 6 ASP N N 6 123.042 126.058 -3.016 1
1 67 . 13 1 1 A 7 7 ALA H H 7 9.312 8.867 0.445 1
1 68 . 13 1 1 A 7 7 ALA HA H 7 4.036 4.194 -0.158 1
1 72 . 13 1 1 A 7 7 ALA C C 7 178.859 179.933 -1.074 1
1 73 . 13 1 1 A 7 7 ALA CA C 7 55.703 55.114 0.589 1
1 74 . 13 1 1 A 7 7 ALA CB C 7 17.952 18.520 -0.568 1
1 75 . 13 1 1 A 7 7 ALA N N 7 123.976 127.573 -3.597 1
1 76 . 13 1 1 A 8 8 HIS H H 8 8.537 7.681 0.856 1
1 77 . 13 1 1 A 8 8 HIS HA H 8 3.950 4.234 -0.284 1
1 82 . 13 1 1 A 8 8 HIS C C 8 178.023 177.911 0.112 1
1 83 . 13 1 1 A 8 8 HIS CA C 8 59.778 58.071 1.707 1
1 84 . 13 1 1 A 8 8 HIS CB C 8 29.039 28.541 0.498 1
1 87 . 13 1 1 A 8 8 HIS N N 8 114.303 115.552 -1.249 1
1 90 . 13 1 1 A 9 9 VAL H H 9 7.567 7.553 0.014 1
1 91 . 13 1 1 A 9 9 VAL HA H 9 3.709 3.488 0.221 1
1 99 . 13 1 1 A 9 9 VAL C C 9 178.518 178.215 0.303 1
1 100 . 13 1 1 A 9 9 VAL CA C 9 65.508 66.902 -1.394 1
1 101 . 13 1 1 A 9 9 VAL CB C 9 31.604 31.412 0.192 1
1 104 . 13 1 1 A 9 9 VAL N N 9 121.235 121.074 0.161 1
1 105 . 13 1 1 A 10 10 LEU H H 10 7.219 8.203 -0.984 1
1 106 . 13 1 1 A 10 10 LEU HA H 10 3.716 3.919 -0.203 1
1 116 . 13 1 1 A 10 10 LEU C C 10 177.133 178.204 -1.071 1
1 117 . 13 1 1 A 10 10 LEU CA C 10 57.133 58.532 -1.399 1
1 118 . 13 1 1 A 10 10 LEU CB C 10 40.756 41.157 -0.401 1
1 122 . 13 1 1 A 10 10 LEU N N 10 120.890 120.138 0.752 1
1 123 . 13 1 1 A 11 11 LYS H H 11 8.568 8.318 0.250 1
1 124 . 13 1 1 A 11 11 LYS HA H 11 3.943 3.924 0.019 1
1 133 . 13 1 1 A 11 11 LYS C C 11 178.143 178.824 -0.681 1
1 134 . 13 1 1 A 11 11 LYS CA C 11 60.388 59.608 0.780 1
1 135 . 13 1 1 A 11 11 LYS CB C 11 32.354 31.752 0.602 1
1 139 . 13 1 1 A 11 11 LYS N N 11 120.361 119.705 0.656 1
1 140 . 13 1 1 A 12 12 SER H H 12 7.865 8.425 -0.560 1
1 141 . 13 1 1 A 12 12 SER HA H 12 4.225 4.496 -0.271 1
1 144 . 13 1 1 A 12 12 SER C C 12 175.839 175.893 -0.054 1
1 145 . 13 1 1 A 12 12 SER CA C 12 61.626 61.584 0.042 1
1 146 . 13 1 1 A 12 12 SER CB C 12 62.749 62.994 -0.245 1
1 147 . 13 1 1 A 12 12 SER N N 12 113.173 117.607 -4.434 1
1 148 . 13 1 1 A 13 13 ARG H H 13 7.701 7.944 -0.243 1
1 149 . 13 1 1 A 13 13 ARG HA H 13 3.827 4.161 -0.334 1
1 157 . 13 1 1 A 13 13 ARG C C 13 178.606 178.500 0.106 1
1 158 . 13 1 1 A 13 13 ARG CA C 13 58.926 58.668 0.258 1
1 159 . 13 1 1 A 13 13 ARG CB C 13 29.616 29.960 -0.344 1
1 162 . 13 1 1 A 13 13 ARG N N 13 122.104 121.425 0.679 1
1 164 . 13 1 1 A 14 14 LEU H H 14 8.308 8.314 -0.006 1
1 165 . 13 1 1 A 14 14 LEU HA H 14 4.219 4.488 -0.269 1
1 175 . 13 1 1 A 14 14 LEU C C 14 178.590 178.649 -0.059 1
1 176 . 13 1 1 A 14 14 LEU CA C 14 57.904 58.159 -0.255 1
1 177 . 13 1 1 A 14 14 LEU CB C 14 42.627 42.173 0.454 1
1 181 . 13 1 1 A 14 14 LEU N N 14 119.549 120.999 -1.450 1
1 182 . 13 1 1 A 15 15 GLU H H 15 7.824 8.320 -0.496 1
1 183 . 13 1 1 A 15 15 GLU HA H 15 3.998 4.089 -0.091 1
1 188 . 13 1 1 A 15 15 GLU C C 15 177.805 178.143 -0.338 1
1 189 . 13 1 1 A 15 15 GLU CA C 15 58.219 59.305 -1.086 1
1 190 . 13 1 1 A 15 15 GLU CB C 15 29.865 29.909 -0.044 1
1 192 . 13 1 1 A 15 15 GLU N N 15 116.921 117.663 -0.742 1
1 193 . 13 1 1 A 16 16 TRP H H 16 7.905 8.192 -0.287 1
1 194 . 13 1 1 A 16 16 TRP HA H 16 4.895 4.708 0.187 1
1 203 . 13 1 1 A 16 16 TRP C C 16 176.778 177.788 -1.010 1
1 204 . 13 1 1 A 16 16 TRP CA C 16 57.033 59.102 -2.069 1
1 205 . 13 1 1 A 16 16 TRP CB C 16 30.513 30.883 -0.370 1
1 211 . 13 1 1 A 16 16 TRP N N 16 116.589 119.302 -2.713 1
1 213 . 13 1 1 A 17 17 GLY H H 17 8.007 8.046 -0.039 1
1 214 . 13 1 1 A 17 17 GLY HA2 H 17 3.979 4.051 -0.072 1
1 215 . 13 1 1 A 17 17 GLY HA3 H 17 4.200 4.054 0.146 1
1 216 . 13 1 1 A 17 17 GLY C C 17 173.650 173.660 -0.010 1
1 217 . 13 1 1 A 17 17 GLY CA C 17 44.786 44.612 0.174 1
1 218 . 13 1 1 A 17 17 GLY N N 17 108.398 107.779 0.619 1
1 219 . 13 1 1 A 18 18 GLU H H 18 8.483 7.995 0.488 1
1 220 . 13 1 1 A 18 18 GLU HA H 18 4.534 4.959 -0.425 1
1 225 . 13 1 1 A 18 18 GLU C C 18 176.535 175.652 0.883 1
1 226 . 13 1 1 A 18 18 GLU CA C 18 54.615 52.987 1.628 1
1 227 . 13 1 1 A 18 18 GLU CB C 18 29.654 32.197 -2.543 1
1 229 . 13 1 1 A 18 18 GLU N N 18 121.984 120.954 1.030 1
1 230 . 13 1 1 A 19 19 PRO HA H 19 4.549 4.112 0.437 1
1 237 . 13 1 1 A 19 19 PRO C C 19 176.737 176.641 0.096 1
1 238 . 13 1 1 A 19 19 PRO CA C 19 63.685 63.828 -0.143 1
1 239 . 13 1 1 A 19 19 PRO CB C 19 30.940 31.429 -0.489 1
1 242 . 13 1 1 A 20 20 ALA H H 20 8.386 8.286 0.100 1
1 243 . 13 1 1 A 20 20 ALA HA H 20 4.536 4.453 0.083 1
1 247 . 13 1 1 A 20 20 ALA C C 20 174.844 176.247 -1.403 1
1 248 . 13 1 1 A 20 20 ALA CA C 20 51.312 51.741 -0.429 1
1 249 . 13 1 1 A 20 20 ALA CB C 20 17.883 17.690 0.193 1
1 250 . 13 1 1 A 20 20 ALA N N 20 126.537 120.707 5.830 1
1 251 . 13 1 1 A 21 21 PHE H H 21 7.244 7.474 -0.230 1
1 252 . 13 1 1 A 21 21 PHE HA H 21 5.485 5.343 0.142 1
1 260 . 13 1 1 A 21 21 PHE C C 21 173.639 172.653 0.986 1
1 261 . 13 1 1 A 21 21 PHE CA C 21 55.312 55.942 -0.630 1
1 262 . 13 1 1 A 21 21 PHE CB C 21 41.581 41.511 0.070 1
1 268 . 13 1 1 A 21 21 PHE N N 21 115.447 114.577 0.870 1
1 269 . 13 1 1 A 22 22 THR H H 22 9.203 9.154 0.049 1
1 270 . 13 1 1 A 22 22 THR HA H 22 4.583 5.139 -0.556 1
1 275 . 13 1 1 A 22 22 THR C C 22 171.987 173.614 -1.627 1
1 276 . 13 1 1 A 22 22 THR CA C 22 62.368 61.628 0.740 1
1 277 . 13 1 1 A 22 22 THR CB C 22 72.961 71.264 1.697 1
1 279 . 13 1 1 A 22 22 THR N N 22 119.035 114.952 4.083 1
1 280 . 13 1 1 A 23 23 ILE H H 23 9.318 9.250 0.068 1
1 281 . 13 1 1 A 23 23 ILE HA H 23 5.172 5.268 -0.096 1
1 291 . 13 1 1 A 23 23 ILE C C 23 173.969 174.864 -0.895 1
1 292 . 13 1 1 A 23 23 ILE CA C 23 59.958 59.931 0.027 1
1 293 . 13 1 1 A 23 23 ILE CB C 23 40.273 39.695 0.578 1
1 297 . 13 1 1 A 23 23 ILE N N 23 127.452 128.082 -0.630 1
1 298 . 13 1 1 A 24 24 LEU H H 24 9.522 9.211 0.311 1
1 299 . 13 1 1 A 24 24 LEU HA H 24 4.871 5.008 -0.137 1
1 309 . 13 1 1 A 24 24 LEU C C 24 172.823 175.517 -2.694 1
1 310 . 13 1 1 A 24 24 LEU CA C 24 53.100 53.053 0.047 1
1 311 . 13 1 1 A 24 24 LEU CB C 24 44.522 44.192 0.330 1
1 315 . 13 1 1 A 24 24 LEU N N 24 127.148 127.306 -0.158 1
1 316 . 13 1 1 A 25 25 ASP H H 25 8.325 8.735 -0.410 1
1 317 . 13 1 1 A 25 25 ASP HA H 25 4.112 4.241 -0.129 1
1 320 . 13 1 1 A 25 25 ASP C C 25 177.457 176.632 0.825 1
1 321 . 13 1 1 A 25 25 ASP CA C 25 51.097 53.767 -2.670 1
1 322 . 13 1 1 A 25 25 ASP CB C 25 43.056 39.389 3.667 1
1 323 . 13 1 1 A 25 25 ASP N N 25 122.856 125.158 -2.302 1
1 324 . 13 1 1 A 26 26 VAL H H 26 7.924 7.759 0.165 1
1 325 . 13 1 1 A 26 26 VAL HA H 26 4.964 4.237 0.727 1
1 333 . 13 1 1 A 26 26 VAL C C 26 176.585 177.428 -0.843 1
1 334 . 13 1 1 A 26 26 VAL CA C 26 59.554 64.094 -4.540 1
1 335 . 13 1 1 A 26 26 VAL CB C 26 30.002 31.628 -1.626 1
1 338 . 13 1 1 A 26 26 VAL N N 26 117.391 121.519 -4.128 1
1 339 . 13 1 1 A 27 27 ARG H H 27 7.773 8.147 -0.374 1
1 340 . 13 1 1 A 27 27 ARG HA H 27 4.418 4.070 0.348 1
1 352 . 13 1 1 A 27 27 ARG C C 27 173.931 175.596 -1.665 1
1 353 . 13 1 1 A 27 27 ARG CA C 27 55.487 58.732 -3.245 1
1 354 . 13 1 1 A 27 27 ARG CB C 27 30.337 29.887 0.450 1
1 357 . 13 1 1 A 27 27 ARG N N 27 121.126 121.212 -0.086 1
1 361 . 13 1 1 A 28 28 ASP H H 28 7.792 7.679 0.113 1
1 362 . 13 1 1 A 28 28 ASP HA H 28 4.431 4.732 -0.301 1
1 365 . 13 1 1 A 28 28 ASP C C 28 176.402 175.520 0.882 1
1 366 . 13 1 1 A 28 28 ASP CA C 28 54.427 53.761 0.666 1
1 367 . 13 1 1 A 28 28 ASP CB C 28 41.498 44.057 -2.559 1
1 368 . 13 1 1 A 28 28 ASP N N 28 115.368 117.641 -2.273 1
1 369 . 13 1 1 A 29 29 ARG H H 29 8.781 8.891 -0.110 1
1 370 . 13 1 1 A 29 29 ARG HA H 29 3.853 4.267 -0.414 1
1 378 . 13 1 1 A 29 29 ARG C C 29 177.811 178.265 -0.454 1
1 379 . 13 1 1 A 29 29 ARG CA C 29 58.920 58.717 0.203 1
1 380 . 13 1 1 A 29 29 ARG CB C 29 29.762 29.831 -0.069 1
1 383 . 13 1 1 A 29 29 ARG N N 29 121.538 124.017 -2.479 1
1 385 . 13 1 1 A 30 30 SER H H 30 8.478 8.387 0.091 1
1 386 . 13 1 1 A 30 30 SER HA H 30 4.190 4.204 -0.014 1
1 389 . 13 1 1 A 30 30 SER C C 30 176.814 177.160 -0.346 1
1 390 . 13 1 1 A 30 30 SER CA C 30 61.929 61.229 0.700 1
1 391 . 13 1 1 A 30 30 SER CB C 30 62.051 62.281 -0.230 1
1 392 . 13 1 1 A 30 30 SER N N 30 113.937 115.036 -1.099 1
1 393 . 13 1 1 A 31 31 THR H H 31 7.724 8.063 -0.339 1
1 394 . 13 1 1 A 31 31 THR HA H 31 4.096 3.952 0.144 1
1 399 . 13 1 1 A 31 31 THR C C 31 176.940 175.812 1.128 1
1 400 . 13 1 1 A 31 31 THR CA C 31 66.078 66.634 -0.556 1
1 401 . 13 1 1 A 31 31 THR CB C 31 67.583 68.538 -0.955 1
1 403 . 13 1 1 A 31 31 THR N N 31 120.025 117.204 2.821 1
1 404 . 13 1 1 A 32 32 TYR H H 32 8.186 8.545 -0.359 1
1 405 . 13 1 1 A 32 32 TYR HA H 32 4.009 4.188 -0.179 1
1 410 . 13 1 1 A 32 32 TYR C C 32 180.166 178.001 2.165 1
1 411 . 13 1 1 A 32 32 TYR CA C 32 61.797 62.073 -0.276 1
1 412 . 13 1 1 A 32 32 TYR CB C 32 37.300 38.800 -1.500 1
1 415 . 13 1 1 A 32 32 TYR N N 32 123.636 122.996 0.640 1
1 416 . 13 1 1 A 33 33 ASN H H 33 8.838 8.544 0.294 1
1 417 . 13 1 1 A 33 33 ASN HA H 33 4.435 3.940 0.495 1
1 422 . 13 1 1 A 33 33 ASN C C 33 176.730 177.586 -0.856 1
1 423 . 13 1 1 A 33 33 ASN CA C 33 55.167 56.087 -0.920 1
1 424 . 13 1 1 A 33 33 ASN CB C 33 37.308 37.669 -0.361 1
1 425 . 13 1 1 A 33 33 ASN N N 33 122.000 117.978 4.022 1
1 427 . 13 1 1 A 34 34 ASP H H 34 7.510 7.881 -0.371 1
1 428 . 13 1 1 A 34 34 ASP HA H 34 4.587 4.420 0.167 1
1 431 . 13 1 1 A 34 34 ASP C C 34 177.045 176.349 0.696 1
1 432 . 13 1 1 A 34 34 ASP CA C 34 56.487 56.509 -0.022 1
1 433 . 13 1 1 A 34 34 ASP CB C 34 40.822 41.230 -0.408 1
1 434 . 13 1 1 A 34 34 ASP N N 34 119.832 118.380 1.452 1
1 435 . 13 1 1 A 35 35 GLY H H 35 7.412 7.657 -0.245 1
1 436 . 13 1 1 A 35 35 GLY HA2 H 35 3.997 4.090 -0.093 1
1 437 . 13 1 1 A 35 35 GLY HA3 H 35 3.997 4.116 -0.119 1
1 438 . 13 1 1 A 35 35 GLY C C 35 171.246 171.787 -0.541 1
1 439 . 13 1 1 A 35 35 GLY CA C 35 46.441 45.819 0.622 1
1 440 . 13 1 1 A 35 35 GLY N N 35 106.611 104.957 1.654 1
1 441 . 13 1 1 A 36 36 HIS H H 36 8.441 8.968 -0.527 1
1 442 . 13 1 1 A 36 36 HIS HA H 36 4.782 5.315 -0.533 1
1 447 . 13 1 1 A 36 36 HIS C C 36 172.800 173.344 -0.544 1
1 448 . 13 1 1 A 36 36 HIS CA C 36 53.425 54.625 -1.200 1
1 449 . 13 1 1 A 36 36 HIS CB C 36 31.978 31.890 0.088 1
1 452 . 13 1 1 A 36 36 HIS N N 36 117.929 117.478 0.451 1
1 455 . 13 1 1 A 37 37 ILE H H 37 8.087 9.408 -1.321 1
1 456 . 13 1 1 A 37 37 ILE HA H 37 3.223 3.729 -0.506 1
1 466 . 13 1 1 A 37 37 ILE C C 37 175.423 176.130 -0.707 1
1 467 . 13 1 1 A 37 37 ILE CA C 37 64.607 61.904 2.703 1
1 468 . 13 1 1 A 37 37 ILE CB C 37 37.269 37.592 -0.323 1
1 472 . 13 1 1 A 37 37 ILE N N 37 120.831 120.968 -0.137 1
1 473 . 13 1 1 A 38 38 MET H H 38 7.625 8.813 -1.188 1
1 474 . 13 1 1 A 38 38 MET HA H 38 3.953 4.409 -0.456 1
1 482 . 13 1 1 A 38 38 MET C C 38 174.632 176.983 -2.351 1
1 483 . 13 1 1 A 38 38 MET CA C 38 57.865 56.986 0.879 1
1 484 . 13 1 1 A 38 38 MET CB C 38 32.882 32.220 0.662 1
1 487 . 13 1 1 A 38 38 MET N N 38 128.683 126.367 2.316 1
1 488 . 13 1 1 A 39 39 GLY H H 39 8.795 8.976 -0.181 1
1 489 . 13 1 1 A 39 39 GLY HA2 H 39 3.727 3.978 -0.251 1
1 490 . 13 1 1 A 39 39 GLY HA3 H 39 4.345 4.005 0.340 1
1 491 . 13 1 1 A 39 39 GLY C C 39 175.442 174.894 0.548 1
1 492 . 13 1 1 A 39 39 GLY CA C 39 44.964 45.045 -0.081 1
1 493 . 13 1 1 A 39 39 GLY N N 39 113.814 114.293 -0.479 1
1 494 . 13 1 1 A 40 40 ALA H H 40 8.566 8.105 0.461 1
1 495 . 13 1 1 A 40 40 ALA HA H 40 4.656 4.503 0.153 1
1 499 . 13 1 1 A 40 40 ALA C C 40 177.459 176.663 0.796 1
1 500 . 13 1 1 A 40 40 ALA CA C 40 52.139 52.209 -0.070 1
1 501 . 13 1 1 A 40 40 ALA CB C 40 20.657 20.652 0.005 1
1 502 . 13 1 1 A 40 40 ALA N N 40 122.444 123.980 -1.536 1
1 503 . 13 1 1 A 41 41 MET H H 41 9.268 8.523 0.745 1
1 504 . 13 1 1 A 41 41 MET HA H 41 4.478 5.060 -0.582 1
1 512 . 13 1 1 A 41 41 MET C C 41 174.328 174.731 -0.403 1
1 513 . 13 1 1 A 41 41 MET CA C 41 54.330 53.270 1.060 1
1 514 . 13 1 1 A 41 41 MET CB C 41 34.473 35.705 -1.232 1
1 517 . 13 1 1 A 41 41 MET N N 41 123.908 115.748 8.160 1
1 518 . 13 1 1 A 42 42 ALA H H 42 8.162 8.134 0.028 1
1 519 . 13 1 1 A 42 42 ALA HA H 42 3.870 3.849 0.021 1
1 523 . 13 1 1 A 42 42 ALA C C 42 177.157 176.455 0.702 1
1 524 . 13 1 1 A 42 42 ALA CA C 42 51.888 51.702 0.186 1
1 525 . 13 1 1 A 42 42 ALA CB C 42 16.282 18.294 -2.012 1
1 526 . 13 1 1 A 42 42 ALA N N 42 126.936 123.598 3.338 1
1 527 . 13 1 1 A 43 43 MET H H 43 8.109 8.336 -0.227 1
1 528 . 13 1 1 A 43 43 MET HA H 43 4.386 4.945 -0.559 1
1 536 . 13 1 1 A 43 43 MET C C 43 168.952 173.451 -4.499 1
1 537 . 13 1 1 A 43 43 MET CA C 43 53.535 52.471 1.064 1
1 538 . 13 1 1 A 43 43 MET CB C 43 34.346 32.993 1.353 1
1 541 . 13 1 1 A 43 43 MET N N 43 125.282 123.114 2.168 1
1 542 . 13 1 1 A 44 44 PRO HA H 44 3.949 4.505 -0.556 1
1 549 . 13 1 1 A 44 44 PRO C C 44 179.070 178.035 1.035 1
1 550 . 13 1 1 A 44 44 PRO CA C 44 62.524 62.820 -0.296 1
1 551 . 13 1 1 A 44 44 PRO CB C 44 32.611 32.319 0.292 1
1 554 . 13 1 1 A 45 45 ILE H H 45 7.764 8.803 -1.039 1
1 555 . 13 1 1 A 45 45 ILE HA H 45 3.851 3.894 -0.043 1
1 565 . 13 1 1 A 45 45 ILE C C 45 175.827 177.745 -1.918 1
1 566 . 13 1 1 A 45 45 ILE CA C 45 64.676 63.473 1.203 1
1 567 . 13 1 1 A 45 45 ILE CB C 45 38.991 38.032 0.959 1
1 571 . 13 1 1 A 45 45 ILE N N 45 121.655 125.154 -3.499 1
1 572 . 13 1 1 A 46 46 GLU H H 46 9.102 8.277 0.825 1
1 573 . 13 1 1 A 46 46 GLU HA H 46 4.056 3.962 0.094 1
1 578 . 13 1 1 A 46 46 GLU C C 46 176.499 177.428 -0.929 1
1 579 . 13 1 1 A 46 46 GLU CA C 46 59.349 59.694 -0.345 1
1 580 . 13 1 1 A 46 46 GLU CB C 46 28.456 29.112 -0.656 1
1 582 . 13 1 1 A 46 46 GLU N N 46 121.004 121.680 -0.676 1
1 583 . 13 1 1 A 47 47 ASP H H 47 7.729 7.806 -0.077 1
1 584 . 13 1 1 A 47 47 ASP HA H 47 5.059 4.774 0.285 1
1 587 . 13 1 1 A 47 47 ASP C C 47 175.683 177.045 -1.362 1
1 588 . 13 1 1 A 47 47 ASP CA C 47 53.266 53.736 -0.470 1
1 589 . 13 1 1 A 47 47 ASP CB C 47 42.048 41.200 0.848 1
1 590 . 13 1 1 A 47 47 ASP N N 47 117.171 118.856 -1.685 1
1 591 . 13 1 1 A 48 48 LEU H H 48 7.193 7.631 -0.438 1
1 592 . 13 1 1 A 48 48 LEU HA H 48 3.690 3.900 -0.210 1
1 602 . 13 1 1 A 48 48 LEU C C 48 176.829 178.185 -1.356 1
1 603 . 13 1 1 A 48 48 LEU CA C 48 58.905 58.735 0.170 1
1 604 . 13 1 1 A 48 48 LEU CB C 48 43.334 41.971 1.363 1
1 608 . 13 1 1 A 48 48 LEU N N 48 121.314 121.038 0.276 1
1 609 . 13 1 1 A 49 49 VAL H H 49 8.507 8.062 0.445 1
1 610 . 13 1 1 A 49 49 VAL HA H 49 3.290 3.525 -0.235 1
1 618 . 13 1 1 A 49 49 VAL C C 49 178.915 177.436 1.479 1
1 619 . 13 1 1 A 49 49 VAL CA C 49 67.886 66.998 0.888 1
1 620 . 13 1 1 A 49 49 VAL CB C 49 30.881 31.710 -0.829 1
1 623 . 13 1 1 A 49 49 VAL N N 49 116.698 119.242 -2.544 1
1 624 . 13 1 1 A 50 50 ASP H H 50 8.474 8.284 0.190 1
1 625 . 13 1 1 A 50 50 ASP HA H 50 4.396 4.342 0.054 1
1 628 . 13 1 1 A 50 50 ASP C C 50 178.890 179.022 -0.132 1
1 629 . 13 1 1 A 50 50 ASP CA C 50 57.477 57.515 -0.038 1
1 630 . 13 1 1 A 50 50 ASP CB C 50 40.945 40.170 0.775 1
1 631 . 13 1 1 A 50 50 ASP N N 50 121.526 119.634 1.892 1
1 632 . 13 1 1 A 51 51 ARG H H 51 8.334 8.390 -0.056 1
1 633 . 13 1 1 A 51 51 ARG HA H 51 4.079 3.993 0.086 1
1 641 . 13 1 1 A 51 51 ARG C C 51 179.634 178.811 0.823 1
1 642 . 13 1 1 A 51 51 ARG CA C 51 58.378 59.587 -1.209 1
1 643 . 13 1 1 A 51 51 ARG CB C 51 29.692 30.290 -0.598 1
1 646 . 13 1 1 A 51 51 ARG N N 51 118.666 119.325 -0.659 1
1 648 . 13 1 1 A 52 52 ALA H H 52 9.250 8.173 1.077 1
1 649 . 13 1 1 A 52 52 ALA HA H 52 3.752 4.176 -0.424 1
1 653 . 13 1 1 A 52 52 ALA C C 52 179.710 179.589 0.121 1
1 654 . 13 1 1 A 52 52 ALA CA C 52 55.830 55.171 0.659 1
1 655 . 13 1 1 A 52 52 ALA CB C 52 18.164 18.464 -0.300 1
1 656 . 13 1 1 A 52 52 ALA N N 52 124.004 121.907 2.097 1
1 657 . 13 1 1 A 53 53 SER H H 53 8.392 8.370 0.022 1
1 658 . 13 1 1 A 53 53 SER HA H 53 4.457 4.248 0.209 1
1 661 . 13 1 1 A 53 53 SER C C 53 175.807 176.505 -0.698 1
1 662 . 13 1 1 A 53 53 SER CA C 53 62.214 61.231 0.983 1
1 663 . 13 1 1 A 53 53 SER CB C 53 62.805 63.047 -0.242 1
1 664 . 13 1 1 A 53 53 SER N N 53 111.154 113.318 -2.164 1
1 665 . 13 1 1 A 54 54 SER H H 54 7.570 7.583 -0.013 1
1 666 . 13 1 1 A 54 54 SER HA H 54 4.512 4.292 0.220 1
1 669 . 13 1 1 A 54 54 SER C C 54 175.210 176.560 -1.350 1
1 670 . 13 1 1 A 54 54 SER CA C 54 59.567 61.238 -1.671 1
1 671 . 13 1 1 A 54 54 SER CB C 54 63.902 63.557 0.345 1
1 672 . 13 1 1 A 54 54 SER N N 54 112.745 115.433 -2.688 1
1 673 . 13 1 1 A 55 55 SER H H 55 7.501 7.840 -0.339 1
1 674 . 13 1 1 A 55 55 SER HA H 55 4.744 4.647 0.097 1
1 677 . 13 1 1 A 55 55 SER C C 55 173.106 173.226 -0.120 1
1 678 . 13 1 1 A 55 55 SER CA C 55 59.905 58.852 1.053 1
1 679 . 13 1 1 A 55 55 SER CB C 55 65.881 64.211 1.670 1
1 680 . 13 1 1 A 55 55 SER N N 55 113.238 114.146 -0.908 1
1 681 . 13 1 1 A 56 56 LEU H H 56 8.320 8.029 0.291 1
1 682 . 13 1 1 A 56 56 LEU HA H 56 4.823 4.895 -0.072 1
1 692 . 13 1 1 A 56 56 LEU C C 56 175.441 176.729 -1.288 1
1 693 . 13 1 1 A 56 56 LEU CA C 56 53.476 53.390 0.086 1
1 694 . 13 1 1 A 56 56 LEU CB C 56 44.655 44.177 0.478 1
1 698 . 13 1 1 A 56 56 LEU N N 56 122.043 121.682 0.361 1
1 699 . 13 1 1 A 57 57 GLU H H 57 8.510 8.846 -0.336 1
1 700 . 13 1 1 A 57 57 GLU HA H 57 4.334 4.439 -0.105 1
1 705 . 13 1 1 A 57 57 GLU C C 57 177.869 177.680 0.189 1
1 706 . 13 1 1 A 57 57 GLU CA C 57 55.911 56.252 -0.341 1
1 707 . 13 1 1 A 57 57 GLU CB C 57 30.193 30.686 -0.493 1
1 709 . 13 1 1 A 57 57 GLU N N 57 121.479 121.788 -0.309 1
1 710 . 13 1 1 A 58 58 LYS H H 58 8.513 8.871 -0.358 1
1 711 . 13 1 1 A 58 58 LYS HA H 58 3.811 4.019 -0.208 1
1 720 . 13 1 1 A 58 58 LYS C C 58 178.345 177.995 0.350 1
1 721 . 13 1 1 A 58 58 LYS CA C 58 58.526 58.287 0.239 1
1 722 . 13 1 1 A 58 58 LYS CB C 58 31.265 32.857 -1.592 1
1 726 . 13 1 1 A 58 58 LYS N N 58 120.689 123.315 -2.626 1
1 727 . 13 1 1 A 59 59 SER H H 59 7.912 7.611 0.301 1
1 728 . 13 1 1 A 59 59 SER HA H 59 4.437 4.580 -0.143 1
1 731 . 13 1 1 A 59 59 SER C C 59 174.216 174.716 -0.500 1
1 732 . 13 1 1 A 59 59 SER CA C 59 57.862 59.219 -1.357 1
1 733 . 13 1 1 A 59 59 SER CB C 59 63.682 63.592 0.090 1
1 734 . 13 1 1 A 59 59 SER N N 59 111.530 113.446 -1.916 1
1 735 . 13 1 1 A 60 60 ARG H H 60 7.477 7.736 -0.259 1
1 736 . 13 1 1 A 60 60 ARG HA H 60 4.199 4.140 0.059 1
1 744 . 13 1 1 A 60 60 ARG C C 60 174.880 176.021 -1.141 1
1 745 . 13 1 1 A 60 60 ARG CA C 60 55.828 56.490 -0.662 1
1 746 . 13 1 1 A 60 60 ARG CB C 60 31.971 30.489 1.482 1
1 749 . 13 1 1 A 60 60 ARG N N 60 125.535 121.649 3.886 1
1 751 . 13 1 1 A 61 61 ASP H H 61 8.540 8.513 0.027 1
1 752 . 13 1 1 A 61 61 ASP HA H 61 4.903 4.908 -0.005 1
1 755 . 13 1 1 A 61 61 ASP C C 61 175.569 175.700 -0.131 1
1 756 . 13 1 1 A 61 61 ASP CA C 61 55.438 54.375 1.063 1
1 757 . 13 1 1 A 61 61 ASP CB C 61 40.847 40.145 0.702 1
1 758 . 13 1 1 A 61 61 ASP N N 61 126.761 125.466 1.295 1
1 759 . 13 1 1 A 62 62 ILE H H 62 8.630 8.962 -0.332 1
1 760 . 13 1 1 A 62 62 ILE HA H 62 5.038 5.124 -0.086 1
1 770 . 13 1 1 A 62 62 ILE C C 62 174.444 174.630 -0.186 1
1 771 . 13 1 1 A 62 62 ILE CA C 62 59.799 60.760 -0.961 1
1 772 . 13 1 1 A 62 62 ILE CB C 62 42.130 38.746 3.384 1
1 776 . 13 1 1 A 62 62 ILE N N 62 125.212 125.275 -0.063 1
1 777 . 13 1 1 A 63 63 TYR H H 63 9.026 9.388 -0.362 1
1 778 . 13 1 1 A 63 63 TYR HA H 63 5.230 5.426 -0.196 1
1 785 . 13 1 1 A 63 63 TYR C C 63 175.088 174.553 0.535 1
1 786 . 13 1 1 A 63 63 TYR CA C 63 56.143 57.125 -0.982 1
1 787 . 13 1 1 A 63 63 TYR CB C 63 41.302 39.896 1.406 1
1 792 . 13 1 1 A 63 63 TYR N N 63 125.467 127.264 -1.797 1
1 793 . 13 1 1 A 64 64 VAL H H 64 8.523 9.241 -0.718 1
1 794 . 13 1 1 A 64 64 VAL HA H 64 5.106 4.785 0.321 1
1 802 . 13 1 1 A 64 64 VAL C C 64 174.072 175.012 -0.940 1
1 803 . 13 1 1 A 64 64 VAL CA C 64 60.302 61.598 -1.296 1
1 804 . 13 1 1 A 64 64 VAL CB C 64 35.121 33.092 2.029 1
1 807 . 13 1 1 A 64 64 VAL N N 64 121.014 123.698 -2.684 1
1 808 . 13 1 1 A 65 65 TYR H H 65 8.832 8.826 0.006 1
1 809 . 13 1 1 A 65 65 TYR HA H 65 5.289 5.526 -0.237 1
1 816 . 13 1 1 A 65 65 TYR C C 65 172.116 173.580 -1.464 1
1 817 . 13 1 1 A 65 65 TYR CA C 65 56.777 55.327 1.450 1
1 818 . 13 1 1 A 65 65 TYR CB C 65 42.528 41.573 0.955 1
1 819 . 13 1 1 A 65 65 TYR N N 65 120.331 122.890 -2.559 1
1 820 . 13 1 1 A 66 66 GLY H H 66 8.278 9.072 -0.794 1
1 821 . 13 1 1 A 66 66 GLY HA2 H 66 3.449 4.001 -0.552 1
1 822 . 13 1 1 A 66 66 GLY HA3 H 66 4.408 4.095 0.313 1
1 823 . 13 1 1 A 66 66 GLY C C 66 173.636 174.792 -1.156 1
1 824 . 13 1 1 A 66 66 GLY CA C 66 43.793 44.241 -0.448 1
1 825 . 13 1 1 A 66 66 GLY N N 66 108.458 109.134 -0.676 1
1 826 . 13 1 1 A 67 67 ALA H H 67 9.485 8.477 1.008 1
1 827 . 13 1 1 A 67 67 ALA HA H 67 4.331 4.215 0.116 1
1 831 . 13 1 1 A 67 67 ALA C C 67 176.363 177.242 -0.879 1
1 832 . 13 1 1 A 67 67 ALA CA C 67 52.848 54.979 -2.131 1
1 833 . 13 1 1 A 67 67 ALA CB C 67 18.178 19.199 -1.021 1
1 834 . 13 1 1 A 67 67 ALA N N 67 126.325 121.820 4.505 1
1 835 . 13 1 1 A 68 68 GLY H H 68 7.553 7.924 -0.371 1
1 836 . 13 1 1 A 68 68 GLY HA2 H 68 4.270 4.121 0.149 1
1 837 . 13 1 1 A 68 68 GLY HA3 H 68 4.209 4.133 0.076 1
1 838 . 13 1 1 A 68 68 GLY C C 68 173.695 174.706 -1.011 1
1 839 . 13 1 1 A 68 68 GLY CA C 68 44.112 43.813 0.299 1
1 840 . 13 1 1 A 68 68 GLY N N 68 106.057 106.140 -0.083 1
1 841 . 13 1 1 A 69 69 ASP H H 69 8.904 8.868 0.036 1
1 842 . 13 1 1 A 69 69 ASP HA H 69 4.408 4.286 0.122 1
1 845 . 13 1 1 A 69 69 ASP C C 69 178.531 178.350 0.181 1
1 846 . 13 1 1 A 69 69 ASP CA C 69 57.592 57.020 0.572 1
1 847 . 13 1 1 A 69 69 ASP CB C 69 40.198 40.244 -0.046 1
1 848 . 13 1 1 A 69 69 ASP N N 69 121.078 120.241 0.837 1
1 849 . 13 1 1 A 70 70 GLU H H 70 8.905 8.487 0.418 1
1 850 . 13 1 1 A 70 70 GLU HA H 70 4.110 3.996 0.114 1
1 855 . 13 1 1 A 70 70 GLU C C 70 178.745 178.914 -0.169 1
1 856 . 13 1 1 A 70 70 GLU CA C 70 59.956 59.784 0.172 1
1 857 . 13 1 1 A 70 70 GLU CB C 70 28.534 29.155 -0.621 1
1 859 . 13 1 1 A 70 70 GLU N N 70 120.998 119.328 1.670 1
1 860 . 13 1 1 A 71 71 GLN H H 71 8.453 7.798 0.655 1
1 861 . 13 1 1 A 71 71 GLN HA H 71 4.106 4.046 0.060 1
1 868 . 13 1 1 A 71 71 GLN C C 71 178.164 178.508 -0.344 1
1 869 . 13 1 1 A 71 71 GLN CA C 71 59.350 58.591 0.759 1
1 870 . 13 1 1 A 71 71 GLN CB C 71 29.682 28.091 1.591 1
1 872 . 13 1 1 A 71 71 GLN N N 71 121.273 118.716 2.557 1
1 874 . 13 1 1 A 72 72 THR H H 72 8.267 7.983 0.284 1
1 875 . 13 1 1 A 72 72 THR HA H 72 3.524 3.870 -0.346 1
1 880 . 13 1 1 A 72 72 THR C C 72 175.546 176.041 -0.495 1
1 881 . 13 1 1 A 72 72 THR CA C 72 67.395 66.287 1.108 1
1 882 . 13 1 1 A 72 72 THR CB C 72 68.145 68.592 -0.447 1
1 884 . 13 1 1 A 72 72 THR N N 72 115.641 117.421 -1.780 1
1 885 . 13 1 1 A 73 73 SER H H 73 8.265 8.156 0.109 1
1 886 . 13 1 1 A 73 73 SER HA H 73 4.029 4.055 -0.026 1
1 889 . 13 1 1 A 73 73 SER C C 73 176.825 176.648 0.177 1
1 890 . 13 1 1 A 73 73 SER CA C 73 61.746 61.634 0.112 1
1 891 . 13 1 1 A 73 73 SER CB C 73 62.746 63.038 -0.292 1
1 892 . 13 1 1 A 73 73 SER N N 73 115.814 115.188 0.626 1
1 893 . 13 1 1 A 74 74 GLN H H 74 8.119 8.077 0.042 1
1 894 . 13 1 1 A 74 74 GLN HA H 74 4.090 4.026 0.064 1
1 901 . 13 1 1 A 74 74 GLN C C 74 178.630 177.984 0.646 1
1 902 . 13 1 1 A 74 74 GLN CA C 74 58.903 58.298 0.605 1
1 903 . 13 1 1 A 74 74 GLN CB C 74 27.943 28.559 -0.616 1
1 905 . 13 1 1 A 74 74 GLN N N 74 121.446 118.746 2.700 1
1 907 . 13 1 1 A 75 75 ALA H H 75 8.210 7.790 0.420 1
1 908 . 13 1 1 A 75 75 ALA HA H 75 3.879 3.999 -0.120 1
1 912 . 13 1 1 A 75 75 ALA C C 75 178.843 180.060 -1.217 1
1 913 . 13 1 1 A 75 75 ALA CA C 75 54.959 55.246 -0.287 1
1 914 . 13 1 1 A 75 75 ALA CB C 75 20.226 18.118 2.108 1
1 915 . 13 1 1 A 75 75 ALA N N 75 121.007 122.218 -1.211 1
1 916 . 13 1 1 A 76 76 VAL H H 76 8.257 7.813 0.444 1
1 917 . 13 1 1 A 76 76 VAL HA H 76 3.472 3.422 0.050 1
1 925 . 13 1 1 A 76 76 VAL C C 76 177.639 177.830 -0.191 1
1 926 . 13 1 1 A 76 76 VAL CA C 76 67.080 66.930 0.150 1
1 927 . 13 1 1 A 76 76 VAL CB C 76 30.945 31.473 -0.528 1
1 930 . 13 1 1 A 76 76 VAL N N 76 116.281 118.646 -2.365 1
1 931 . 13 1 1 A 77 77 ASN H H 77 8.190 8.026 0.164 1
1 932 . 13 1 1 A 77 77 ASN HA H 77 4.430 4.383 0.047 1
1 937 . 13 1 1 A 77 77 ASN C C 77 178.638 177.887 0.751 1
1 938 . 13 1 1 A 77 77 ASN CA C 77 56.666 56.621 0.045 1
1 939 . 13 1 1 A 77 77 ASN CB C 77 37.950 39.449 -1.499 1
1 940 . 13 1 1 A 77 77 ASN N N 77 118.786 118.477 0.309 1
1 942 . 13 1 1 A 78 78 LEU H H 78 8.222 7.997 0.225 1
1 943 . 13 1 1 A 78 78 LEU HA H 78 4.045 4.041 0.004 1
1 953 . 13 1 1 A 78 78 LEU C C 78 180.246 179.777 0.469 1
1 954 . 13 1 1 A 78 78 LEU CA C 78 57.926 58.101 -0.175 1
1 955 . 13 1 1 A 78 78 LEU CB C 78 41.892 41.427 0.465 1
1 959 . 13 1 1 A 78 78 LEU N N 78 121.759 119.909 1.850 1
1 960 . 13 1 1 A 79 79 LEU H H 79 7.887 7.990 -0.103 1
1 961 . 13 1 1 A 79 79 LEU HA H 79 4.051 4.014 0.037 1
1 971 . 13 1 1 A 79 79 LEU C C 79 179.804 179.719 0.085 1
1 972 . 13 1 1 A 79 79 LEU CA C 79 57.788 58.037 -0.249 1
1 973 . 13 1 1 A 79 79 LEU CB C 79 41.616 41.037 0.579 1
1 977 . 13 1 1 A 79 79 LEU N N 79 118.127 119.416 -1.289 1
1 978 . 13 1 1 A 80 80 ARG H H 80 8.942 8.313 0.629 1
1 979 . 13 1 1 A 80 80 ARG HA H 80 4.516 4.173 0.343 1
1 987 . 13 1 1 A 80 80 ARG C C 80 181.546 178.526 3.020 1
1 988 . 13 1 1 A 80 80 ARG CA C 80 60.006 58.705 1.301 1
1 989 . 13 1 1 A 80 80 ARG CB C 80 29.510 29.882 -0.372 1
1 992 . 13 1 1 A 80 80 ARG N N 80 120.974 118.862 2.112 1
1 994 . 13 1 1 A 81 81 SER H H 81 8.394 8.265 0.129 1
1 995 . 13 1 1 A 81 81 SER HA H 81 4.307 4.124 0.183 1
1 998 . 13 1 1 A 81 81 SER C C 81 174.601 176.115 -1.514 1
1 999 . 13 1 1 A 81 81 SER CA C 81 61.570 61.314 0.256 1
1 1000 . 13 1 1 A 81 81 SER CB C 81 62.832 63.298 -0.466 1
1 1001 . 13 1 1 A 81 81 SER N N 81 116.329 115.155 1.174 1
1 1002 . 13 1 1 A 82 82 ALA H H 82 7.507 7.560 -0.053 1
1 1003 . 13 1 1 A 82 82 ALA HA H 82 4.546 4.457 0.089 1
1 1007 . 13 1 1 A 82 82 ALA C C 82 176.449 177.782 -1.333 1
1 1008 . 13 1 1 A 82 82 ALA CA C 82 51.759 52.112 -0.353 1
1 1009 . 13 1 1 A 82 82 ALA CB C 82 18.850 19.363 -0.513 1
1 1010 . 13 1 1 A 82 82 ALA N N 82 122.576 119.625 2.951 1
1 1011 . 13 1 1 A 83 83 GLY H H 83 7.678 8.024 -0.346 1
1 1012 . 13 1 1 A 83 83 GLY HA2 H 83 3.623 3.854 -0.231 1
1 1013 . 13 1 1 A 83 83 GLY HA3 H 83 4.217 3.927 0.290 1
1 1014 . 13 1 1 A 83 83 GLY C C 83 174.557 174.592 -0.035 1
1 1015 . 13 1 1 A 83 83 GLY CA C 83 44.741 45.066 -0.325 1
1 1016 . 13 1 1 A 83 83 GLY N N 83 104.117 107.039 -2.922 1
1 1017 . 13 1 1 A 84 84 PHE H H 84 7.923 7.732 0.191 1
1 1018 . 13 1 1 A 84 84 PHE HA H 84 4.254 4.378 -0.124 1
1 1026 . 13 1 1 A 84 84 PHE C C 84 176.479 176.070 0.409 1
1 1027 . 13 1 1 A 84 84 PHE CA C 84 60.127 59.297 0.830 1
1 1028 . 13 1 1 A 84 84 PHE CB C 84 36.999 38.811 -1.812 1
1 1034 . 13 1 1 A 84 84 PHE N N 84 119.861 119.787 0.074 1
1 1035 . 13 1 1 A 85 85 GLU H H 85 7.730 9.307 -1.577 1
1 1036 . 13 1 1 A 85 85 GLU HA H 85 3.965 4.285 -0.320 1
1 1041 . 13 1 1 A 85 85 GLU C C 85 176.966 177.000 -0.034 1
1 1042 . 13 1 1 A 85 85 GLU CA C 85 57.841 59.047 -1.206 1
1 1043 . 13 1 1 A 85 85 GLU CB C 85 32.054 30.618 1.436 1
1 1045 . 13 1 1 A 85 85 GLU N N 85 122.200 123.785 -1.585 1
1 1046 . 13 1 1 A 86 86 HIS H H 86 9.957 7.969 1.988 1
1 1047 . 13 1 1 A 86 86 HIS HA H 86 4.988 4.869 0.119 1
1 1052 . 13 1 1 A 86 86 HIS C C 86 171.400 174.275 -2.875 1
1 1053 . 13 1 1 A 86 86 HIS CA C 86 53.063 55.046 -1.983 1
1 1054 . 13 1 1 A 86 86 HIS CB C 86 29.823 29.113 0.710 1
1 1057 . 13 1 1 A 86 86 HIS N N 86 122.245 116.921 5.324 1
1 1060 . 13 1 1 A 87 87 VAL H H 87 8.233 8.883 -0.650 1
1 1061 . 13 1 1 A 87 87 VAL HA H 87 4.934 4.915 0.019 1
1 1069 . 13 1 1 A 87 87 VAL C C 87 175.510 174.081 1.429 1
1 1070 . 13 1 1 A 87 87 VAL CA C 87 59.972 60.995 -1.023 1
1 1071 . 13 1 1 A 87 87 VAL CB C 87 33.883 34.527 -0.644 1
1 1074 . 13 1 1 A 87 87 VAL N N 87 120.946 124.524 -3.578 1
1 1075 . 13 1 1 A 88 88 SER H H 88 8.968 8.926 0.042 1
1 1076 . 13 1 1 A 88 88 SER HA H 88 4.869 5.372 -0.503 1
1 1079 . 13 1 1 A 88 88 SER C C 88 174.093 172.980 1.113 1
1 1080 . 13 1 1 A 88 88 SER CA C 88 55.935 56.378 -0.443 1
1 1081 . 13 1 1 A 88 88 SER CB C 88 66.077 65.103 0.974 1
1 1082 . 13 1 1 A 88 88 SER N N 88 121.913 122.263 -0.350 1
1 1083 . 13 1 1 A 89 89 GLU H H 89 8.628 8.538 0.090 1
1 1084 . 13 1 1 A 89 89 GLU HA H 89 4.233 4.585 -0.352 1
1 1089 . 13 1 1 A 89 89 GLU C C 89 175.212 175.752 -0.540 1
1 1090 . 13 1 1 A 89 89 GLU CA C 89 55.728 56.117 -0.389 1
1 1091 . 13 1 1 A 89 89 GLU CB C 89 31.640 30.306 1.334 1
1 1093 . 13 1 1 A 89 89 GLU N N 89 125.288 123.055 2.233 1
1 1094 . 13 1 1 A 90 90 LEU H H 90 8.727 8.750 -0.023 1
1 1095 . 13 1 1 A 90 90 LEU HA H 90 4.829 4.869 -0.040 1
1 1105 . 13 1 1 A 90 90 LEU C C 90 175.893 175.898 -0.005 1
1 1106 . 13 1 1 A 90 90 LEU CA C 90 53.771 54.845 -1.074 1
1 1107 . 13 1 1 A 90 90 LEU CB C 90 41.511 42.945 -1.434 1
1 1111 . 13 1 1 A 90 90 LEU N N 90 125.766 126.057 -0.291 1
1 1112 . 13 1 1 A 91 91 LYS H H 91 8.715 8.921 -0.206 1
1 1113 . 13 1 1 A 91 91 LYS HA H 91 4.164 4.104 0.060 1
1 1122 . 13 1 1 A 91 91 LYS C C 91 177.680 177.337 0.343 1
1 1123 . 13 1 1 A 91 91 LYS CA C 91 57.796 57.967 -0.171 1
1 1124 . 13 1 1 A 91 91 LYS CB C 91 31.705 32.176 -0.471 1
1 1128 . 13 1 1 A 91 91 LYS N N 91 131.405 126.942 4.463 1
1 1129 . 13 1 1 A 92 92 GLY H H 92 9.408 8.316 1.092 1
1 1130 . 13 1 1 A 92 92 GLY HA2 H 92 3.828 3.954 -0.126 1
1 1131 . 13 1 1 A 92 92 GLY HA3 H 92 4.268 3.957 0.311 1
1 1132 . 13 1 1 A 92 92 GLY C C 92 175.634 173.964 1.670 1
1 1133 . 13 1 1 A 92 92 GLY CA C 92 46.001 45.152 0.849 1
1 1134 . 13 1 1 A 92 92 GLY N N 92 115.262 111.444 3.818 1
1 1135 . 13 1 1 A 93 93 GLY H H 93 7.616 8.553 -0.937 1
1 1136 . 13 1 1 A 93 93 GLY HA2 H 93 3.429 4.174 -0.745 1
1 1137 . 13 1 1 A 93 93 GLY HA3 H 93 4.276 4.219 0.057 1
1 1138 . 13 1 1 A 93 93 GLY C C 93 172.357 174.918 -2.561 1
1 1139 . 13 1 1 A 93 93 GLY CA C 93 46.436 44.908 1.528 1
1 1140 . 13 1 1 A 93 93 GLY N N 93 106.201 108.131 -1.930 1
1 1141 . 13 1 1 A 94 94 LEU H H 94 8.854 9.006 -0.152 1
1 1142 . 13 1 1 A 94 94 LEU HA H 94 3.643 4.182 -0.539 1
1 1152 . 13 1 1 A 94 94 LEU C C 94 178.092 178.543 -0.451 1
1 1153 . 13 1 1 A 94 94 LEU CA C 94 56.966 57.338 -0.372 1
1 1154 . 13 1 1 A 94 94 LEU CB C 94 41.937 42.004 -0.067 1
1 1158 . 13 1 1 A 94 94 LEU N N 94 124.279 124.172 0.107 1
1 1159 . 13 1 1 A 95 95 ALA H H 95 8.683 8.346 0.337 1
1 1160 . 13 1 1 A 95 95 ALA HA H 95 4.061 4.034 0.027 1
1 1164 . 13 1 1 A 95 95 ALA C C 95 180.877 179.795 1.082 1
1 1165 . 13 1 1 A 95 95 ALA CA C 95 55.406 55.617 -0.211 1
1 1166 . 13 1 1 A 95 95 ALA CB C 95 18.053 17.813 0.240 1
1 1167 . 13 1 1 A 95 95 ALA N N 95 120.253 120.696 -0.443 1
1 1168 . 13 1 1 A 96 96 ALA H H 96 7.249 8.000 -0.751 1
1 1169 . 13 1 1 A 96 96 ALA HA H 96 4.132 4.069 0.063 1
1 1173 . 13 1 1 A 96 96 ALA C C 96 179.350 179.606 -0.256 1
1 1174 . 13 1 1 A 96 96 ALA CA C 96 54.429 54.958 -0.529 1
1 1175 . 13 1 1 A 96 96 ALA CB C 96 18.580 18.184 0.396 1
1 1176 . 13 1 1 A 96 96 ALA N N 96 121.080 119.899 1.181 1
1 1177 . 13 1 1 A 97 97 TRP H H 97 7.636 7.911 -0.275 1
1 1178 . 13 1 1 A 97 97 TRP HA H 97 4.051 4.208 -0.157 1
1 1187 . 13 1 1 A 97 97 TRP C C 97 178.223 178.423 -0.200 1
1 1188 . 13 1 1 A 97 97 TRP CA C 97 59.343 61.618 -2.275 1
1 1189 . 13 1 1 A 97 97 TRP CB C 97 29.734 29.899 -0.165 1
1 1195 . 13 1 1 A 97 97 TRP N N 97 119.015 120.999 -1.984 1
1 1197 . 13 1 1 A 98 98 LYS H H 98 8.764 8.394 0.370 1
1 1198 . 13 1 1 A 98 98 LYS HA H 98 3.886 4.165 -0.279 1
1 1207 . 13 1 1 A 98 98 LYS C C 98 180.503 179.511 0.992 1
1 1208 . 13 1 1 A 98 98 LYS CA C 98 59.365 59.370 -0.005 1
1 1209 . 13 1 1 A 98 98 LYS CB C 98 31.899 32.446 -0.547 1
1 1213 . 13 1 1 A 98 98 LYS N N 98 117.855 119.062 -1.207 1
1 1214 . 13 1 1 A 99 99 ALA H H 99 7.802 8.411 -0.609 1
1 1215 . 13 1 1 A 99 99 ALA HA H 99 4.139 4.129 0.010 1
1 1219 . 13 1 1 A 99 99 ALA C C 99 179.188 179.155 0.033 1
1 1220 . 13 1 1 A 99 99 ALA CA C 99 54.521 54.906 -0.385 1
1 1221 . 13 1 1 A 99 99 ALA CB C 99 18.016 18.335 -0.319 1
1 1222 . 13 1 1 A 99 99 ALA N N 99 121.263 122.387 -1.124 1
1 1223 . 13 1 1 A 100 100 ILE H H 100 6.803 7.522 -0.719 1
1 1224 . 13 1 1 A 100 100 ILE HA H 100 4.509 4.115 0.394 1
1 1234 . 13 1 1 A 100 100 ILE C C 100 175.810 176.519 -0.709 1
1 1235 . 13 1 1 A 100 100 ILE CA C 100 59.964 60.685 -0.721 1
1 1236 . 13 1 1 A 100 100 ILE CB C 100 37.866 37.222 0.644 1
1 1240 . 13 1 1 A 100 100 ILE N N 100 107.978 111.475 -3.497 1
1 1241 . 13 1 1 A 101 101 GLY H H 101 7.741 7.832 -0.091 1
1 1242 . 13 1 1 A 101 101 GLY HA2 H 101 3.618 3.895 -0.277 1
1 1243 . 13 1 1 A 101 101 GLY HA3 H 101 3.866 3.901 -0.035 1
1 1244 . 13 1 1 A 101 101 GLY C C 101 175.319 175.059 0.260 1
1 1245 . 13 1 1 A 101 101 GLY CA C 101 45.444 46.760 -1.316 1
1 1246 . 13 1 1 A 101 101 GLY N N 101 109.732 111.325 -1.593 1
1 1247 . 13 1 1 A 102 102 GLY H H 102 7.823 7.805 0.018 1
1 1248 . 13 1 1 A 102 102 GLY HA2 H 102 2.942 3.238 -0.296 1
1 1249 . 13 1 1 A 102 102 GLY HA3 H 102 2.942 3.775 -0.833 1
1 1250 . 13 1 1 A 102 102 GLY C C 102 171.578 172.929 -1.351 1
1 1251 . 13 1 1 A 102 102 GLY CA C 102 41.964 43.932 -1.968 1
1 1252 . 13 1 1 A 102 102 GLY N N 102 108.608 107.484 1.124 1
1 1253 . 13 1 1 A 103 103 PRO HA H 103 4.643 4.788 -0.145 1
1 1260 . 13 1 1 A 103 103 PRO C C 103 178.778 176.588 2.190 1
1 1261 . 13 1 1 A 103 103 PRO CA C 103 62.843 63.068 -0.225 1
1 1262 . 13 1 1 A 103 103 PRO CB C 103 32.263 31.725 0.538 1
1 1265 . 13 1 1 A 104 104 THR H H 104 8.760 8.476 0.284 1
1 1266 . 13 1 1 A 104 104 THR HA H 104 5.017 5.120 -0.103 1
1 1271 . 13 1 1 A 104 104 THR C C 104 172.498 173.124 -0.626 1
1 1272 . 13 1 1 A 104 104 THR CA C 104 59.729 59.469 0.260 1
1 1273 . 13 1 1 A 104 104 THR CB C 104 72.479 71.926 0.553 1
1 1275 . 13 1 1 A 104 104 THR N N 104 116.086 112.811 3.275 1
1 1276 . 13 1 1 A 105 105 GLU H H 105 8.267 8.704 -0.437 1
1 1277 . 13 1 1 A 105 105 GLU HA H 105 4.499 5.081 -0.582 1
1 1282 . 13 1 1 A 105 105 GLU C C 105 173.848 175.555 -1.707 1
1 1283 . 13 1 1 A 105 105 GLU CA C 105 54.647 54.454 0.193 1
1 1284 . 13 1 1 A 105 105 GLU CB C 105 34.227 33.017 1.210 1
1 1286 . 13 1 1 A 105 105 GLU N N 105 117.663 120.424 -2.761 1
1 1287 . 13 1 1 A 106 106 GLY H H 106 8.207 8.364 -0.157 1
1 1288 . 13 1 1 A 106 106 GLY HA2 H 106 3.873 4.214 -0.341 1
1 1289 . 13 1 1 A 106 106 GLY HA3 H 106 3.873 4.251 -0.378 1
1 1290 . 13 1 1 A 106 106 GLY C C 106 173.052 174.625 -1.573 1
1 1291 . 13 1 1 A 106 106 GLY CA C 106 44.313 45.675 -1.362 1
1 1292 . 13 1 1 A 106 106 GLY N N 106 108.896 108.862 0.034 1
1 1293 . 13 1 1 A 107 107 ILE H H 107 8.333 9.541 -1.208 1
1 1294 . 13 1 1 A 107 107 ILE HA H 107 4.110 3.740 0.370 1
1 1304 . 13 1 1 A 107 107 ILE C C 107 176.773 177.541 -0.768 1
1 1305 . 13 1 1 A 107 107 ILE CA C 107 62.404 64.542 -2.138 1
1 1306 . 13 1 1 A 107 107 ILE CB C 107 38.826 37.685 1.141 1
1 1310 . 13 1 1 A 107 107 ILE N N 107 119.410 120.912 -1.502 1
1 1311 . 13 1 1 A 108 108 ILE H H 108 8.369 7.876 0.493 1
1 1312 . 13 1 1 A 108 108 ILE HA H 108 4.167 3.908 0.259 1
1 1322 . 13 1 1 A 108 108 ILE C C 108 176.821 177.051 -0.230 1
1 1323 . 13 1 1 A 108 108 ILE CA C 108 61.060 64.139 -3.079 1
1 1324 . 13 1 1 A 108 108 ILE CB C 108 37.984 37.486 0.498 1
1 1328 . 13 1 1 A 108 108 ILE N N 108 122.390 120.321 2.069 1
1 1329 . 13 1 1 A 109 109 GLU H H 109 8.127 7.700 0.427 1
1 1330 . 13 1 1 A 109 109 GLU HA H 109 4.218 4.347 -0.129 1
1 1335 . 13 1 1 A 109 109 GLU C C 109 176.438 176.316 0.122 1
1 1336 . 13 1 1 A 109 109 GLU CA C 109 56.548 56.497 0.051 1
1 1337 . 13 1 1 A 109 109 GLU CB C 109 30.178 29.137 1.041 1
1 1339 . 13 1 1 A 109 109 GLU N N 109 123.739 119.055 4.684 1
1 1340 . 13 1 1 A 110 110 SER H H 110 8.291 8.229 0.062 1
1 1341 . 13 1 1 A 110 110 SER HA H 110 4.446 4.706 -0.260 1
1 1344 . 13 1 1 A 110 110 SER C C 110 174.330 173.308 1.022 1
1 1345 . 13 1 1 A 110 110 SER CA C 110 58.252 57.427 0.825 1
1 1346 . 13 1 1 A 110 110 SER CB C 110 63.598 64.688 -1.090 1
1 1347 . 13 1 1 A 110 110 SER N N 110 116.242 116.546 -0.304 1
1 1348 . 13 1 1 A 111 111 ARG H H 111 8.238 7.278 0.960 1
1 1349 . 13 1 1 A 111 111 ARG HA H 111 4.426 4.752 -0.326 1
1 1357 . 13 1 1 A 111 111 ARG C C 111 176.113 173.953 2.160 1
1 1358 . 13 1 1 A 111 111 ARG CA C 111 55.848 54.618 1.230 1
1 1359 . 13 1 1 A 111 111 ARG CB C 111 30.755 33.436 -2.681 1
1 1362 . 13 1 1 A 111 111 ARG N N 111 122.827 119.244 3.583 1
1 1364 . 13 1 1 A 112 112 THR H H 112 8.229 8.621 -0.392 1
1 1365 . 13 1 1 A 112 112 THR HA H 112 4.573 4.995 -0.422 1
1 1370 . 13 1 1 A 112 112 THR C C 112 172.790 174.257 -1.467 1
1 1371 . 13 1 1 A 112 112 THR CA C 112 59.716 58.293 1.423 1
1 1372 . 13 1 1 A 112 112 THR CB C 112 69.503 70.017 -0.514 1
1 1374 . 13 1 1 A 112 112 THR N N 112 117.863 110.851 7.012 1
1 1375 . 13 1 1 A 113 113 PRO HA H 113 4.388 4.687 -0.299 1
1 1382 . 13 1 1 A 113 113 PRO C C 113 176.605 176.740 -0.135 1
1 1383 . 13 1 1 A 113 113 PRO CA C 113 63.131 62.327 0.804 1
1 1384 . 13 1 1 A 113 113 PRO CB C 113 31.931 32.597 -0.666 1
1 1387 . 13 1 1 A 114 114 ALA H H 114 8.422 8.476 -0.054 1
1 1388 . 13 1 1 A 114 114 ALA HA H 114 4.284 3.999 0.285 1
1 1392 . 13 1 1 A 114 114 ALA C C 114 178.251 177.368 0.883 1
1 1393 . 13 1 1 A 114 114 ALA CA C 114 52.518 52.552 -0.034 1
1 1394 . 13 1 1 A 114 114 ALA CB C 114 19.131 17.817 1.314 1
1 1395 . 13 1 1 A 114 114 ALA N N 114 124.466 118.810 5.656 1
1 1396 . 13 1 1 A 115 115 GLY H H 115 8.380 8.498 -0.118 1
1 1397 . 13 1 1 A 115 115 GLY HA2 H 115 3.956 4.128 -0.172 1
1 1398 . 13 1 1 A 115 115 GLY HA3 H 115 3.934 4.128 -0.194 1
1 1399 . 13 1 1 A 115 115 GLY C C 115 174.020 173.221 0.799 1
1 1400 . 13 1 1 A 115 115 GLY CA C 115 45.095 45.804 -0.709 1
1 1401 . 13 1 1 A 115 115 GLY N N 115 108.587 109.401 -0.814 1
1 1402 . 13 1 1 A 116 116 ALA H H 116 8.127 7.654 0.473 1
1 1403 . 13 1 1 A 116 116 ALA HA H 116 4.292 4.779 -0.487 1
1 1407 . 13 1 1 A 116 116 ALA C C 116 177.565 175.127 2.438 1
1 1408 . 13 1 1 A 116 116 ALA CA C 116 52.504 51.596 0.908 1
1 1409 . 13 1 1 A 116 116 ALA CB C 116 19.187 22.005 -2.818 1
1 1410 . 13 1 1 A 116 116 ALA N N 116 123.523 120.975 2.548 1
1 1411 . 13 1 1 A 117 117 ASP H H 117 8.316 8.664 -0.348 1
1 1412 . 13 1 1 A 117 117 ASP HA H 117 4.555 5.064 -0.509 1
1 1415 . 13 1 1 A 117 117 ASP C C 117 175.899 174.252 1.647 1
1 1416 . 13 1 1 A 117 117 ASP CA C 117 54.254 54.186 0.068 1
1 1417 . 13 1 1 A 117 117 ASP CB C 117 40.962 44.108 -3.146 1
1 1418 . 13 1 1 A 117 117 ASP N N 117 118.783 121.640 -2.857 1
1 1419 . 13 1 1 A 118 118 ASP H H 118 8.083 9.025 -0.942 1
1 1420 . 13 1 1 A 118 118 ASP HA H 118 4.529 5.115 -0.586 1
1 1423 . 13 1 1 A 118 118 ASP C C 118 176.278 174.438 1.840 1
1 1424 . 13 1 1 A 118 118 ASP CA C 118 54.202 52.546 1.656 1
1 1425 . 13 1 1 A 118 118 ASP CB C 118 40.933 42.144 -1.211 1
1 1426 . 13 1 1 A 118 118 ASP N N 118 119.935 125.181 -5.246 1
1 1427 . 13 1 1 A 119 119 TYR H H 119 8.107 8.800 -0.693 1
1 1428 . 13 1 1 A 119 119 TYR HA H 119 4.450 5.109 -0.659 1
1 1435 . 13 1 1 A 119 119 TYR C C 119 175.825 174.449 1.376 1
1 1436 . 13 1 1 A 119 119 TYR CA C 119 58.350 57.137 1.213 1
1 1437 . 13 1 1 A 119 119 TYR CB C 119 38.260 42.278 -4.018 1
1 1442 . 13 1 1 A 119 119 TYR N N 119 120.415 121.061 -0.646 1
1 1443 . 13 1 1 A 120 120 ASN H H 120 8.276 8.434 -0.158 1
1 1444 . 13 1 1 A 120 120 ASN HA H 120 4.615 4.813 -0.198 1
1 1449 . 13 1 1 A 120 120 ASN C C 120 175.102 174.455 0.647 1
1 1450 . 13 1 1 A 120 120 ASN CA C 120 53.396 53.354 0.042 1
1 1451 . 13 1 1 A 120 120 ASN CB C 120 38.712 38.741 -0.029 1
1 1452 . 13 1 1 A 120 120 ASN N N 120 119.834 122.997 -3.163 1
1 1454 . 13 1 1 A 121 121 VAL H H 121 7.897 8.729 -0.832 1
1 1455 . 13 1 1 A 121 121 VAL HA H 121 4.009 4.499 -0.490 1
1 1463 . 13 1 1 A 121 121 VAL C C 121 176.484 175.329 1.155 1
1 1464 . 13 1 1 A 121 121 VAL CA C 121 62.950 61.791 1.159 1
1 1465 . 13 1 1 A 121 121 VAL CB C 121 32.326 32.492 -0.166 1
1 1468 . 13 1 1 A 121 121 VAL N N 121 120.109 125.984 -5.875 1
1 1469 . 13 1 1 A 122 122 VAL H H 122 8.091 8.368 -0.277 1
1 1470 . 13 1 1 A 122 122 VAL HA H 122 4.014 4.665 -0.651 1
1 1478 . 13 1 1 A 122 122 VAL C C 122 176.568 173.610 2.958 1
1 1479 . 13 1 1 A 122 122 VAL CA C 122 62.924 60.850 2.074 1
1 1480 . 13 1 1 A 122 122 VAL CB C 122 32.279 33.789 -1.510 1
1 1483 . 13 1 1 A 122 122 VAL N N 122 122.407 125.300 -2.893 1
1 1484 . 13 1 1 A 123 123 SER H H 123 8.228 8.839 -0.611 1
1 1485 . 13 1 1 A 123 123 SER HA H 123 4.385 5.270 -0.885 1
1 1488 . 13 1 1 A 123 123 SER C C 123 174.863 172.829 2.034 1
1 1489 . 13 1 1 A 123 123 SER CA C 123 58.525 57.726 0.799 1
1 1490 . 13 1 1 A 123 123 SER CB C 123 63.450 65.573 -2.123 1
1 1491 . 13 1 1 A 123 123 SER N N 123 118.095 121.459 -3.364 1
1 1492 . 13 1 1 A 124 124 ARG H H 124 8.208 8.677 -0.469 1
1 1493 . 13 1 1 A 124 124 ARG HA H 124 4.297 4.622 -0.325 1
1 1500 . 13 1 1 A 124 124 ARG C C 124 176.328 174.104 2.224 1
1 1501 . 13 1 1 A 124 124 ARG CA C 124 56.408 56.139 0.269 1
1 1502 . 13 1 1 A 124 124 ARG CB C 124 30.480 31.619 -1.139 1
1 1505 . 13 1 1 A 124 124 ARG N N 124 122.632 123.134 -0.502 1
1 1506 . 13 1 1 A 125 125 LEU H H 125 8.081 8.780 -0.699 1
1 1507 . 13 1 1 A 125 125 LEU HA H 125 4.262 4.966 -0.704 1
1 1517 . 13 1 1 A 125 125 LEU C C 125 177.375 175.118 2.257 1
1 1518 . 13 1 1 A 125 125 LEU CA C 125 55.282 54.316 0.966 1
1 1519 . 13 1 1 A 125 125 LEU CB C 125 42.042 44.194 -2.152 1
1 1523 . 13 1 1 A 125 125 LEU N N 125 121.964 128.382 -6.418 1
1 1524 . 13 1 1 A 126 126 GLU H H 126 8.232 8.984 -0.752 1
1 1525 . 13 1 1 A 126 126 GLU HA H 126 4.179 5.031 -0.852 1
1 1530 . 13 1 1 A 126 126 GLU C C 126 176.238 174.258 1.980 1
1 1531 . 13 1 1 A 126 126 GLU CA C 126 56.451 54.694 1.757 1
1 1532 . 13 1 1 A 126 126 GLU CB C 126 30.131 33.511 -3.380 1
1 14 . 14 1 1 A 2 2 GLU H H 2 8.824 8.521 0.303 1
1 15 . 14 1 1 A 2 2 GLU HA H 2 4.687 4.307 0.380 1
1 20 . 14 1 1 A 2 2 GLU C C 2 175.506 176.826 -1.320 1
1 21 . 14 1 1 A 2 2 GLU CA C 2 54.603 55.274 -0.671 1
1 22 . 14 1 1 A 2 2 GLU CB C 2 29.310 29.306 0.004 1
1 24 . 14 1 1 A 2 2 GLU N N 2 125.698 126.789 -1.091 1
1 25 . 14 1 1 A 3 3 PRO HA H 3 4.398 4.410 -0.012 1
1 32 . 14 1 1 A 3 3 PRO C C 3 176.267 176.609 -0.342 1
1 33 . 14 1 1 A 3 3 PRO CA C 3 64.781 65.123 -0.342 1
1 34 . 14 1 1 A 3 3 PRO CB C 3 31.918 31.864 0.054 1
1 37 . 14 1 1 A 4 4 GLN H H 4 7.738 8.048 -0.310 1
1 38 . 14 1 1 A 4 4 GLN HA H 4 4.908 5.074 -0.166 1
1 45 . 14 1 1 A 4 4 GLN C C 4 175.006 174.249 0.757 1
1 46 . 14 1 1 A 4 4 GLN CA C 4 54.697 54.743 -0.046 1
1 47 . 14 1 1 A 4 4 GLN CB C 4 31.196 30.812 0.384 1
1 49 . 14 1 1 A 4 4 GLN N N 4 114.971 118.143 -3.172 1
1 51 . 14 1 1 A 5 5 SER H H 5 9.180 9.189 -0.009 1
1 52 . 14 1 1 A 5 5 SER HA H 5 4.825 5.177 -0.352 1
1 55 . 14 1 1 A 5 5 SER C C 5 172.669 173.576 -0.907 1
1 56 . 14 1 1 A 5 5 SER CA C 5 58.100 56.493 1.607 1
1 57 . 14 1 1 A 5 5 SER CB C 5 65.536 64.796 0.740 1
1 58 . 14 1 1 A 5 5 SER N N 5 117.801 120.076 -2.275 1
1 59 . 14 1 1 A 6 6 ASP H H 6 8.386 8.829 -0.443 1
1 60 . 14 1 1 A 6 6 ASP HA H 6 4.841 4.564 0.277 1
1 63 . 14 1 1 A 6 6 ASP C C 6 177.071 177.504 -0.433 1
1 64 . 14 1 1 A 6 6 ASP CA C 6 53.810 54.558 -0.748 1
1 65 . 14 1 1 A 6 6 ASP CB C 6 42.427 41.503 0.924 1
1 66 . 14 1 1 A 6 6 ASP N N 6 123.042 125.169 -2.127 1
1 67 . 14 1 1 A 7 7 ALA H H 7 9.312 8.896 0.416 1
1 68 . 14 1 1 A 7 7 ALA HA H 7 4.036 4.040 -0.004 1
1 72 . 14 1 1 A 7 7 ALA C C 7 178.859 180.035 -1.176 1
1 73 . 14 1 1 A 7 7 ALA CA C 7 55.703 54.926 0.777 1
1 74 . 14 1 1 A 7 7 ALA CB C 7 17.952 18.161 -0.209 1
1 75 . 14 1 1 A 7 7 ALA N N 7 123.976 125.485 -1.509 1
1 76 . 14 1 1 A 8 8 HIS H H 8 8.537 7.482 1.055 1
1 77 . 14 1 1 A 8 8 HIS HA H 8 3.950 4.247 -0.297 1
1 82 . 14 1 1 A 8 8 HIS C C 8 178.023 177.839 0.184 1
1 83 . 14 1 1 A 8 8 HIS CA C 8 59.778 58.389 1.389 1
1 84 . 14 1 1 A 8 8 HIS CB C 8 29.039 28.544 0.495 1
1 87 . 14 1 1 A 8 8 HIS N N 8 114.303 115.588 -1.285 1
1 90 . 14 1 1 A 9 9 VAL H H 9 7.567 8.018 -0.451 1
1 91 . 14 1 1 A 9 9 VAL HA H 9 3.709 3.529 0.180 1
1 99 . 14 1 1 A 9 9 VAL C C 9 178.518 178.197 0.321 1
1 100 . 14 1 1 A 9 9 VAL CA C 9 65.508 66.824 -1.316 1
1 101 . 14 1 1 A 9 9 VAL CB C 9 31.604 31.423 0.181 1
1 104 . 14 1 1 A 9 9 VAL N N 9 121.235 121.588 -0.353 1
1 105 . 14 1 1 A 10 10 LEU H H 10 7.219 7.895 -0.676 1
1 106 . 14 1 1 A 10 10 LEU HA H 10 3.716 3.631 0.085 1
1 116 . 14 1 1 A 10 10 LEU C C 10 177.133 178.181 -1.048 1
1 117 . 14 1 1 A 10 10 LEU CA C 10 57.133 58.435 -1.302 1
1 118 . 14 1 1 A 10 10 LEU CB C 10 40.756 41.499 -0.743 1
1 122 . 14 1 1 A 10 10 LEU N N 10 120.890 119.785 1.105 1
1 123 . 14 1 1 A 11 11 LYS H H 11 8.568 8.216 0.352 1
1 124 . 14 1 1 A 11 11 LYS HA H 11 3.943 4.051 -0.108 1
1 133 . 14 1 1 A 11 11 LYS C C 11 178.143 178.780 -0.637 1
1 134 . 14 1 1 A 11 11 LYS CA C 11 60.388 59.995 0.393 1
1 135 . 14 1 1 A 11 11 LYS CB C 11 32.354 31.916 0.438 1
1 139 . 14 1 1 A 11 11 LYS N N 11 120.361 119.812 0.549 1
1 140 . 14 1 1 A 12 12 SER H H 12 7.865 8.562 -0.697 1
1 141 . 14 1 1 A 12 12 SER HA H 12 4.225 4.293 -0.068 1
1 144 . 14 1 1 A 12 12 SER C C 12 175.839 177.229 -1.390 1
1 145 . 14 1 1 A 12 12 SER CA C 12 61.626 61.418 0.208 1
1 146 . 14 1 1 A 12 12 SER CB C 12 62.749 62.213 0.536 1
1 147 . 14 1 1 A 12 12 SER N N 12 113.173 115.696 -2.523 1
1 148 . 14 1 1 A 13 13 ARG H H 13 7.701 7.606 0.095 1
1 149 . 14 1 1 A 13 13 ARG HA H 13 3.827 4.238 -0.411 1
1 157 . 14 1 1 A 13 13 ARG C C 13 178.606 179.251 -0.645 1
1 158 . 14 1 1 A 13 13 ARG CA C 13 58.926 58.991 -0.065 1
1 159 . 14 1 1 A 13 13 ARG CB C 13 29.616 29.791 -0.175 1
1 162 . 14 1 1 A 13 13 ARG N N 13 122.104 122.339 -0.235 1
1 164 . 14 1 1 A 14 14 LEU H H 14 8.308 8.441 -0.133 1
1 165 . 14 1 1 A 14 14 LEU HA H 14 4.219 4.173 0.046 1
1 175 . 14 1 1 A 14 14 LEU C C 14 178.590 178.812 -0.222 1
1 176 . 14 1 1 A 14 14 LEU CA C 14 57.904 58.265 -0.361 1
1 177 . 14 1 1 A 14 14 LEU CB C 14 42.627 42.089 0.538 1
1 181 . 14 1 1 A 14 14 LEU N N 14 119.549 121.946 -2.397 1
1 182 . 14 1 1 A 15 15 GLU H H 15 7.824 8.247 -0.423 1
1 183 . 14 1 1 A 15 15 GLU HA H 15 3.998 4.193 -0.195 1
1 188 . 14 1 1 A 15 15 GLU C C 15 177.805 178.533 -0.728 1
1 189 . 14 1 1 A 15 15 GLU CA C 15 58.219 58.964 -0.745 1
1 190 . 14 1 1 A 15 15 GLU CB C 15 29.865 30.470 -0.605 1
1 192 . 14 1 1 A 15 15 GLU N N 15 116.921 118.105 -1.184 1
1 193 . 14 1 1 A 16 16 TRP H H 16 7.905 8.344 -0.439 1
1 194 . 14 1 1 A 16 16 TRP HA H 16 4.895 4.552 0.343 1
1 203 . 14 1 1 A 16 16 TRP C C 16 176.778 179.079 -2.301 1
1 204 . 14 1 1 A 16 16 TRP CA C 16 57.033 60.089 -3.056 1
1 205 . 14 1 1 A 16 16 TRP CB C 16 30.513 30.500 0.013 1
1 211 . 14 1 1 A 16 16 TRP N N 16 116.589 120.408 -3.819 1
1 213 . 14 1 1 A 17 17 GLY H H 17 8.007 8.792 -0.785 1
1 214 . 14 1 1 A 17 17 GLY HA2 H 17 3.979 3.790 0.189 1
1 215 . 14 1 1 A 17 17 GLY HA3 H 17 4.200 3.811 0.389 1
1 216 . 14 1 1 A 17 17 GLY C C 17 173.650 174.458 -0.808 1
1 217 . 14 1 1 A 17 17 GLY CA C 17 44.786 46.888 -2.102 1
1 218 . 14 1 1 A 17 17 GLY N N 17 108.398 108.079 0.319 1
1 219 . 14 1 1 A 18 18 GLU H H 18 8.483 8.023 0.460 1
1 220 . 14 1 1 A 18 18 GLU HA H 18 4.534 4.747 -0.213 1
1 225 . 14 1 1 A 18 18 GLU C C 18 176.535 175.158 1.377 1
1 226 . 14 1 1 A 18 18 GLU CA C 18 54.615 54.019 0.596 1
1 227 . 14 1 1 A 18 18 GLU CB C 18 29.654 32.140 -2.486 1
1 229 . 14 1 1 A 18 18 GLU N N 18 121.984 120.156 1.828 1
1 230 . 14 1 1 A 19 19 PRO HA H 19 4.549 3.576 0.973 1
1 237 . 14 1 1 A 19 19 PRO C C 19 176.737 176.101 0.636 1
1 238 . 14 1 1 A 19 19 PRO CA C 19 63.685 62.447 1.238 1
1 239 . 14 1 1 A 19 19 PRO CB C 19 30.940 29.595 1.345 1
1 242 . 14 1 1 A 20 20 ALA H H 20 8.386 8.212 0.174 1
1 243 . 14 1 1 A 20 20 ALA HA H 20 4.536 4.265 0.271 1
1 247 . 14 1 1 A 20 20 ALA C C 20 174.844 177.296 -2.452 1
1 248 . 14 1 1 A 20 20 ALA CA C 20 51.312 52.996 -1.684 1
1 249 . 14 1 1 A 20 20 ALA CB C 20 17.883 19.291 -1.408 1
1 250 . 14 1 1 A 20 20 ALA N N 20 126.537 123.952 2.585 1
1 251 . 14 1 1 A 21 21 PHE H H 21 7.244 7.032 0.212 1
1 252 . 14 1 1 A 21 21 PHE HA H 21 5.485 4.848 0.637 1
1 260 . 14 1 1 A 21 21 PHE C C 21 173.639 174.425 -0.786 1
1 261 . 14 1 1 A 21 21 PHE CA C 21 55.312 55.539 -0.227 1
1 262 . 14 1 1 A 21 21 PHE CB C 21 41.581 41.818 -0.237 1
1 268 . 14 1 1 A 21 21 PHE N N 21 115.447 115.899 -0.452 1
1 269 . 14 1 1 A 22 22 THR H H 22 9.203 9.111 0.092 1
1 270 . 14 1 1 A 22 22 THR HA H 22 4.583 5.034 -0.451 1
1 275 . 14 1 1 A 22 22 THR C C 22 171.987 173.961 -1.974 1
1 276 . 14 1 1 A 22 22 THR CA C 22 62.368 61.697 0.671 1
1 277 . 14 1 1 A 22 22 THR CB C 22 72.961 70.185 2.776 1
1 279 . 14 1 1 A 22 22 THR N N 22 119.035 115.413 3.622 1
1 280 . 14 1 1 A 23 23 ILE H H 23 9.318 9.524 -0.206 1
1 281 . 14 1 1 A 23 23 ILE HA H 23 5.172 5.319 -0.147 1
1 291 . 14 1 1 A 23 23 ILE C C 23 173.969 175.691 -1.722 1
1 292 . 14 1 1 A 23 23 ILE CA C 23 59.958 60.182 -0.224 1
1 293 . 14 1 1 A 23 23 ILE CB C 23 40.273 40.174 0.099 1
1 297 . 14 1 1 A 23 23 ILE N N 23 127.452 129.317 -1.865 1
1 298 . 14 1 1 A 24 24 LEU H H 24 9.522 9.043 0.479 1
1 299 . 14 1 1 A 24 24 LEU HA H 24 4.871 5.011 -0.140 1
1 309 . 14 1 1 A 24 24 LEU C C 24 172.823 175.393 -2.570 1
1 310 . 14 1 1 A 24 24 LEU CA C 24 53.100 53.093 0.007 1
1 311 . 14 1 1 A 24 24 LEU CB C 24 44.522 44.214 0.308 1
1 315 . 14 1 1 A 24 24 LEU N N 24 127.148 127.063 0.085 1
1 316 . 14 1 1 A 25 25 ASP H H 25 8.325 9.020 -0.695 1
1 317 . 14 1 1 A 25 25 ASP HA H 25 4.112 4.414 -0.302 1
1 320 . 14 1 1 A 25 25 ASP C C 25 177.457 176.845 0.612 1
1 321 . 14 1 1 A 25 25 ASP CA C 25 51.097 54.144 -3.047 1
1 322 . 14 1 1 A 25 25 ASP CB C 25 43.056 40.418 2.638 1
1 323 . 14 1 1 A 25 25 ASP N N 25 122.856 125.454 -2.598 1
1 324 . 14 1 1 A 26 26 VAL H H 26 7.924 7.864 0.060 1
1 325 . 14 1 1 A 26 26 VAL HA H 26 4.964 4.371 0.593 1
1 333 . 14 1 1 A 26 26 VAL C C 26 176.585 177.256 -0.671 1
1 334 . 14 1 1 A 26 26 VAL CA C 26 59.554 62.486 -2.932 1
1 335 . 14 1 1 A 26 26 VAL CB C 26 30.002 31.730 -1.728 1
1 338 . 14 1 1 A 26 26 VAL N N 26 117.391 120.854 -3.463 1
1 339 . 14 1 1 A 27 27 ARG H H 27 7.773 7.772 0.001 1
1 340 . 14 1 1 A 27 27 ARG HA H 27 4.418 4.019 0.399 1
1 352 . 14 1 1 A 27 27 ARG C C 27 173.931 175.918 -1.987 1
1 353 . 14 1 1 A 27 27 ARG CA C 27 55.487 58.811 -3.324 1
1 354 . 14 1 1 A 27 27 ARG CB C 27 30.337 30.752 -0.415 1
1 357 . 14 1 1 A 27 27 ARG N N 27 121.126 120.605 0.521 1
1 361 . 14 1 1 A 28 28 ASP H H 28 7.792 7.705 0.087 1
1 362 . 14 1 1 A 28 28 ASP HA H 28 4.431 4.835 -0.404 1
1 365 . 14 1 1 A 28 28 ASP C C 28 176.402 175.784 0.618 1
1 366 . 14 1 1 A 28 28 ASP CA C 28 54.427 53.815 0.612 1
1 367 . 14 1 1 A 28 28 ASP CB C 28 41.498 43.842 -2.344 1
1 368 . 14 1 1 A 28 28 ASP N N 28 115.368 114.429 0.939 1
1 369 . 14 1 1 A 29 29 ARG H H 29 8.781 8.717 0.064 1
1 370 . 14 1 1 A 29 29 ARG HA H 29 3.853 3.899 -0.046 1
1 378 . 14 1 1 A 29 29 ARG C C 29 177.811 177.834 -0.023 1
1 379 . 14 1 1 A 29 29 ARG CA C 29 58.920 59.441 -0.521 1
1 380 . 14 1 1 A 29 29 ARG CB C 29 29.762 30.011 -0.249 1
1 383 . 14 1 1 A 29 29 ARG N N 29 121.538 125.549 -4.011 1
1 385 . 14 1 1 A 30 30 SER H H 30 8.478 8.447 0.031 1
1 386 . 14 1 1 A 30 30 SER HA H 30 4.190 4.214 -0.024 1
1 389 . 14 1 1 A 30 30 SER C C 30 176.814 177.194 -0.380 1
1 390 . 14 1 1 A 30 30 SER CA C 30 61.929 61.231 0.698 1
1 391 . 14 1 1 A 30 30 SER CB C 30 62.051 62.547 -0.496 1
1 392 . 14 1 1 A 30 30 SER N N 30 113.937 115.406 -1.469 1
1 393 . 14 1 1 A 31 31 THR H H 31 7.724 7.969 -0.245 1
1 394 . 14 1 1 A 31 31 THR HA H 31 4.096 4.082 0.014 1
1 399 . 14 1 1 A 31 31 THR C C 31 176.940 176.248 0.692 1
1 400 . 14 1 1 A 31 31 THR CA C 31 66.078 66.701 -0.623 1
1 401 . 14 1 1 A 31 31 THR CB C 31 67.583 68.746 -1.163 1
1 403 . 14 1 1 A 31 31 THR N N 31 120.025 117.706 2.319 1
1 404 . 14 1 1 A 32 32 TYR H H 32 8.186 8.509 -0.323 1
1 405 . 14 1 1 A 32 32 TYR HA H 32 4.009 4.052 -0.043 1
1 410 . 14 1 1 A 32 32 TYR C C 32 180.166 176.977 3.189 1
1 411 . 14 1 1 A 32 32 TYR CA C 32 61.797 62.413 -0.616 1
1 412 . 14 1 1 A 32 32 TYR CB C 32 37.300 38.512 -1.212 1
1 415 . 14 1 1 A 32 32 TYR N N 32 123.636 122.230 1.406 1
1 416 . 14 1 1 A 33 33 ASN H H 33 8.838 8.165 0.673 1
1 417 . 14 1 1 A 33 33 ASN HA H 33 4.435 4.340 0.095 1
1 422 . 14 1 1 A 33 33 ASN C C 33 176.730 177.949 -1.219 1
1 423 . 14 1 1 A 33 33 ASN CA C 33 55.167 56.321 -1.154 1
1 424 . 14 1 1 A 33 33 ASN CB C 33 37.308 37.826 -0.518 1
1 425 . 14 1 1 A 33 33 ASN N N 33 122.000 118.268 3.732 1
1 427 . 14 1 1 A 34 34 ASP H H 34 7.510 8.217 -0.707 1
1 428 . 14 1 1 A 34 34 ASP HA H 34 4.587 4.409 0.178 1
1 431 . 14 1 1 A 34 34 ASP C C 34 177.045 176.875 0.170 1
1 432 . 14 1 1 A 34 34 ASP CA C 34 56.487 56.862 -0.375 1
1 433 . 14 1 1 A 34 34 ASP CB C 34 40.822 41.114 -0.292 1
1 434 . 14 1 1 A 34 34 ASP N N 34 119.832 117.772 2.060 1
1 435 . 14 1 1 A 35 35 GLY H H 35 7.412 7.486 -0.074 1
1 436 . 14 1 1 A 35 35 GLY HA2 H 35 3.997 4.031 -0.034 1
1 437 . 14 1 1 A 35 35 GLY HA3 H 35 3.997 4.065 -0.068 1
1 438 . 14 1 1 A 35 35 GLY C C 35 171.246 171.668 -0.422 1
1 439 . 14 1 1 A 35 35 GLY CA C 35 46.441 45.917 0.524 1
1 440 . 14 1 1 A 35 35 GLY N N 35 106.611 102.999 3.612 1
1 441 . 14 1 1 A 36 36 HIS H H 36 8.441 9.074 -0.633 1
1 442 . 14 1 1 A 36 36 HIS HA H 36 4.782 5.414 -0.632 1
1 447 . 14 1 1 A 36 36 HIS C C 36 172.800 173.669 -0.869 1
1 448 . 14 1 1 A 36 36 HIS CA C 36 53.425 53.788 -0.363 1
1 449 . 14 1 1 A 36 36 HIS CB C 36 31.978 32.081 -0.103 1
1 452 . 14 1 1 A 36 36 HIS N N 36 117.929 119.904 -1.975 1
1 455 . 14 1 1 A 37 37 ILE H H 37 8.087 9.059 -0.972 1
1 456 . 14 1 1 A 37 37 ILE HA H 37 3.223 3.633 -0.410 1
1 466 . 14 1 1 A 37 37 ILE C C 37 175.423 176.354 -0.931 1
1 467 . 14 1 1 A 37 37 ILE CA C 37 64.607 62.051 2.556 1
1 468 . 14 1 1 A 37 37 ILE CB C 37 37.269 37.572 -0.303 1
1 472 . 14 1 1 A 37 37 ILE N N 37 120.831 121.420 -0.589 1
1 473 . 14 1 1 A 38 38 MET H H 38 7.625 8.390 -0.765 1
1 474 . 14 1 1 A 38 38 MET HA H 38 3.953 4.406 -0.453 1
1 482 . 14 1 1 A 38 38 MET C C 38 174.632 176.979 -2.347 1
1 483 . 14 1 1 A 38 38 MET CA C 38 57.865 56.928 0.937 1
1 484 . 14 1 1 A 38 38 MET CB C 38 32.882 32.185 0.697 1
1 487 . 14 1 1 A 38 38 MET N N 38 128.683 126.150 2.533 1
1 488 . 14 1 1 A 39 39 GLY H H 39 8.795 8.928 -0.133 1
1 489 . 14 1 1 A 39 39 GLY HA2 H 39 3.727 4.002 -0.275 1
1 490 . 14 1 1 A 39 39 GLY HA3 H 39 4.345 4.024 0.321 1
1 491 . 14 1 1 A 39 39 GLY C C 39 175.442 174.844 0.598 1
1 492 . 14 1 1 A 39 39 GLY CA C 39 44.964 45.215 -0.251 1
1 493 . 14 1 1 A 39 39 GLY N N 39 113.814 114.330 -0.516 1
1 494 . 14 1 1 A 40 40 ALA H H 40 8.566 8.107 0.459 1
1 495 . 14 1 1 A 40 40 ALA HA H 40 4.656 4.522 0.134 1
1 499 . 14 1 1 A 40 40 ALA C C 40 177.459 176.241 1.218 1
1 500 . 14 1 1 A 40 40 ALA CA C 40 52.139 52.221 -0.082 1
1 501 . 14 1 1 A 40 40 ALA CB C 40 20.657 20.567 0.090 1
1 502 . 14 1 1 A 40 40 ALA N N 40 122.444 123.986 -1.542 1
1 503 . 14 1 1 A 41 41 MET H H 41 9.268 9.045 0.223 1
1 504 . 14 1 1 A 41 41 MET HA H 41 4.478 5.124 -0.646 1
1 512 . 14 1 1 A 41 41 MET C C 41 174.328 175.210 -0.882 1
1 513 . 14 1 1 A 41 41 MET CA C 41 54.330 53.951 0.379 1
1 514 . 14 1 1 A 41 41 MET CB C 41 34.473 34.671 -0.198 1
1 517 . 14 1 1 A 41 41 MET N N 41 123.908 119.247 4.661 1
1 518 . 14 1 1 A 42 42 ALA H H 42 8.162 8.435 -0.273 1
1 519 . 14 1 1 A 42 42 ALA HA H 42 3.870 3.815 0.055 1
1 523 . 14 1 1 A 42 42 ALA C C 42 177.157 175.944 1.213 1
1 524 . 14 1 1 A 42 42 ALA CA C 42 51.888 51.291 0.597 1
1 525 . 14 1 1 A 42 42 ALA CB C 42 16.282 16.822 -0.540 1
1 526 . 14 1 1 A 42 42 ALA N N 42 126.936 125.145 1.791 1
1 527 . 14 1 1 A 43 43 MET H H 43 8.109 7.907 0.202 1
1 528 . 14 1 1 A 43 43 MET HA H 43 4.386 4.924 -0.538 1
1 536 . 14 1 1 A 43 43 MET C C 43 168.952 174.239 -5.287 1
1 537 . 14 1 1 A 43 43 MET CA C 43 53.535 52.583 0.952 1
1 538 . 14 1 1 A 43 43 MET CB C 43 34.346 33.295 1.051 1
1 541 . 14 1 1 A 43 43 MET N N 43 125.282 122.353 2.929 1
1 542 . 14 1 1 A 44 44 PRO HA H 44 3.949 4.650 -0.701 1
1 549 . 14 1 1 A 44 44 PRO C C 44 179.070 177.893 1.177 1
1 550 . 14 1 1 A 44 44 PRO CA C 44 62.524 62.584 -0.060 1
1 551 . 14 1 1 A 44 44 PRO CB C 44 32.611 32.425 0.186 1
1 554 . 14 1 1 A 45 45 ILE H H 45 7.764 8.630 -0.866 1
1 555 . 14 1 1 A 45 45 ILE HA H 45 3.851 3.917 -0.066 1
1 565 . 14 1 1 A 45 45 ILE C C 45 175.827 177.717 -1.890 1
1 566 . 14 1 1 A 45 45 ILE CA C 45 64.676 63.400 1.276 1
1 567 . 14 1 1 A 45 45 ILE CB C 45 38.991 38.021 0.970 1
1 571 . 14 1 1 A 45 45 ILE N N 45 121.655 124.885 -3.230 1
1 572 . 14 1 1 A 46 46 GLU H H 46 9.102 8.231 0.871 1
1 573 . 14 1 1 A 46 46 GLU HA H 46 4.056 4.048 0.008 1
1 578 . 14 1 1 A 46 46 GLU C C 46 176.499 177.701 -1.202 1
1 579 . 14 1 1 A 46 46 GLU CA C 46 59.349 59.489 -0.140 1
1 580 . 14 1 1 A 46 46 GLU CB C 46 28.456 29.491 -1.035 1
1 582 . 14 1 1 A 46 46 GLU N N 46 121.004 122.191 -1.187 1
1 583 . 14 1 1 A 47 47 ASP H H 47 7.729 7.667 0.062 1
1 584 . 14 1 1 A 47 47 ASP HA H 47 5.059 4.771 0.288 1
1 587 . 14 1 1 A 47 47 ASP C C 47 175.683 176.434 -0.751 1
1 588 . 14 1 1 A 47 47 ASP CA C 47 53.266 53.967 -0.701 1
1 589 . 14 1 1 A 47 47 ASP CB C 47 42.048 41.762 0.286 1
1 590 . 14 1 1 A 47 47 ASP N N 47 117.171 116.390 0.781 1
1 591 . 14 1 1 A 48 48 LEU H H 48 7.193 7.566 -0.373 1
1 592 . 14 1 1 A 48 48 LEU HA H 48 3.690 3.878 -0.188 1
1 602 . 14 1 1 A 48 48 LEU C C 48 176.829 178.408 -1.579 1
1 603 . 14 1 1 A 48 48 LEU CA C 48 58.905 58.913 -0.008 1
1 604 . 14 1 1 A 48 48 LEU CB C 48 43.334 41.901 1.433 1
1 608 . 14 1 1 A 48 48 LEU N N 48 121.314 121.725 -0.411 1
1 609 . 14 1 1 A 49 49 VAL H H 49 8.507 7.955 0.552 1
1 610 . 14 1 1 A 49 49 VAL HA H 49 3.290 3.474 -0.184 1
1 618 . 14 1 1 A 49 49 VAL C C 49 178.915 177.441 1.474 1
1 619 . 14 1 1 A 49 49 VAL CA C 49 67.886 67.014 0.872 1
1 620 . 14 1 1 A 49 49 VAL CB C 49 30.881 31.693 -0.812 1
1 623 . 14 1 1 A 49 49 VAL N N 49 116.698 119.236 -2.538 1
1 624 . 14 1 1 A 50 50 ASP H H 50 8.474 8.279 0.195 1
1 625 . 14 1 1 A 50 50 ASP HA H 50 4.396 4.370 0.026 1
1 628 . 14 1 1 A 50 50 ASP C C 50 178.890 179.118 -0.228 1
1 629 . 14 1 1 A 50 50 ASP CA C 50 57.477 57.488 -0.011 1
1 630 . 14 1 1 A 50 50 ASP CB C 50 40.945 40.056 0.889 1
1 631 . 14 1 1 A 50 50 ASP N N 50 121.526 119.699 1.827 1
1 632 . 14 1 1 A 51 51 ARG H H 51 8.334 8.256 0.078 1
1 633 . 14 1 1 A 51 51 ARG HA H 51 4.079 4.010 0.069 1
1 641 . 14 1 1 A 51 51 ARG C C 51 179.634 179.277 0.357 1
1 642 . 14 1 1 A 51 51 ARG CA C 51 58.378 59.450 -1.072 1
1 643 . 14 1 1 A 51 51 ARG CB C 51 29.692 30.198 -0.506 1
1 646 . 14 1 1 A 51 51 ARG N N 51 118.666 119.294 -0.628 1
1 648 . 14 1 1 A 52 52 ALA H H 52 9.250 8.004 1.246 1
1 649 . 14 1 1 A 52 52 ALA HA H 52 3.752 4.136 -0.384 1
1 653 . 14 1 1 A 52 52 ALA C C 52 179.710 179.756 -0.046 1
1 654 . 14 1 1 A 52 52 ALA CA C 52 55.830 55.345 0.485 1
1 655 . 14 1 1 A 52 52 ALA CB C 52 18.164 17.875 0.289 1
1 656 . 14 1 1 A 52 52 ALA N N 52 124.004 122.176 1.828 1
1 657 . 14 1 1 A 53 53 SER H H 53 8.392 8.403 -0.011 1
1 658 . 14 1 1 A 53 53 SER HA H 53 4.457 4.236 0.221 1
1 661 . 14 1 1 A 53 53 SER C C 53 175.807 176.457 -0.650 1
1 662 . 14 1 1 A 53 53 SER CA C 53 62.214 61.300 0.914 1
1 663 . 14 1 1 A 53 53 SER CB C 53 62.805 63.407 -0.602 1
1 664 . 14 1 1 A 53 53 SER N N 53 111.154 113.808 -2.654 1
1 665 . 14 1 1 A 54 54 SER H H 54 7.570 7.569 0.001 1
1 666 . 14 1 1 A 54 54 SER HA H 54 4.512 4.419 0.093 1
1 669 . 14 1 1 A 54 54 SER C C 54 175.210 176.815 -1.605 1
1 670 . 14 1 1 A 54 54 SER CA C 54 59.567 60.805 -1.238 1
1 671 . 14 1 1 A 54 54 SER CB C 54 63.902 63.717 0.185 1
1 672 . 14 1 1 A 54 54 SER N N 54 112.745 114.987 -2.242 1
1 673 . 14 1 1 A 55 55 SER H H 55 7.501 7.878 -0.377 1
1 674 . 14 1 1 A 55 55 SER HA H 55 4.744 4.495 0.249 1
1 677 . 14 1 1 A 55 55 SER C C 55 173.106 173.790 -0.684 1
1 678 . 14 1 1 A 55 55 SER CA C 55 59.905 59.439 0.466 1
1 679 . 14 1 1 A 55 55 SER CB C 55 65.881 64.218 1.663 1
1 680 . 14 1 1 A 55 55 SER N N 55 113.238 114.974 -1.736 1
1 681 . 14 1 1 A 56 56 LEU H H 56 8.320 7.729 0.591 1
1 682 . 14 1 1 A 56 56 LEU HA H 56 4.823 4.871 -0.048 1
1 692 . 14 1 1 A 56 56 LEU C C 56 175.441 176.286 -0.845 1
1 693 . 14 1 1 A 56 56 LEU CA C 56 53.476 53.772 -0.296 1
1 694 . 14 1 1 A 56 56 LEU CB C 56 44.655 45.110 -0.455 1
1 698 . 14 1 1 A 56 56 LEU N N 56 122.043 120.838 1.205 1
1 699 . 14 1 1 A 57 57 GLU H H 57 8.510 9.002 -0.492 1
1 700 . 14 1 1 A 57 57 GLU HA H 57 4.334 4.514 -0.180 1
1 705 . 14 1 1 A 57 57 GLU C C 57 177.869 176.851 1.018 1
1 706 . 14 1 1 A 57 57 GLU CA C 57 55.911 55.268 0.643 1
1 707 . 14 1 1 A 57 57 GLU CB C 57 30.193 31.337 -1.144 1
1 709 . 14 1 1 A 57 57 GLU N N 57 121.479 121.177 0.302 1
1 710 . 14 1 1 A 58 58 LYS H H 58 8.513 8.662 -0.149 1
1 711 . 14 1 1 A 58 58 LYS HA H 58 3.811 4.191 -0.380 1
1 720 . 14 1 1 A 58 58 LYS C C 58 178.345 178.257 0.088 1
1 721 . 14 1 1 A 58 58 LYS CA C 58 58.526 56.896 1.630 1
1 722 . 14 1 1 A 58 58 LYS CB C 58 31.265 32.663 -1.398 1
1 726 . 14 1 1 A 58 58 LYS N N 58 120.689 122.787 -2.098 1
1 727 . 14 1 1 A 59 59 SER H H 59 7.912 7.657 0.255 1
1 728 . 14 1 1 A 59 59 SER HA H 59 4.437 4.448 -0.011 1
1 731 . 14 1 1 A 59 59 SER C C 59 174.216 174.641 -0.425 1
1 732 . 14 1 1 A 59 59 SER CA C 59 57.862 59.743 -1.881 1
1 733 . 14 1 1 A 59 59 SER CB C 59 63.682 63.461 0.221 1
1 734 . 14 1 1 A 59 59 SER N N 59 111.530 112.829 -1.299 1
1 735 . 14 1 1 A 60 60 ARG H H 60 7.477 7.675 -0.198 1
1 736 . 14 1 1 A 60 60 ARG HA H 60 4.199 4.091 0.108 1
1 744 . 14 1 1 A 60 60 ARG C C 60 174.880 175.780 -0.900 1
1 745 . 14 1 1 A 60 60 ARG CA C 60 55.828 56.278 -0.450 1
1 746 . 14 1 1 A 60 60 ARG CB C 60 31.971 30.512 1.459 1
1 749 . 14 1 1 A 60 60 ARG N N 60 125.535 122.715 2.820 1
1 751 . 14 1 1 A 61 61 ASP H H 61 8.540 8.511 0.029 1
1 752 . 14 1 1 A 61 61 ASP HA H 61 4.903 4.774 0.129 1
1 755 . 14 1 1 A 61 61 ASP C C 61 175.569 175.401 0.168 1
1 756 . 14 1 1 A 61 61 ASP CA C 61 55.438 54.177 1.261 1
1 757 . 14 1 1 A 61 61 ASP CB C 61 40.847 40.203 0.644 1
1 758 . 14 1 1 A 61 61 ASP N N 61 126.761 125.003 1.758 1
1 759 . 14 1 1 A 62 62 ILE H H 62 8.630 9.211 -0.581 1
1 760 . 14 1 1 A 62 62 ILE HA H 62 5.038 5.220 -0.182 1
1 770 . 14 1 1 A 62 62 ILE C C 62 174.444 174.272 0.172 1
1 771 . 14 1 1 A 62 62 ILE CA C 62 59.799 60.462 -0.663 1
1 772 . 14 1 1 A 62 62 ILE CB C 62 42.130 39.575 2.555 1
1 776 . 14 1 1 A 62 62 ILE N N 62 125.212 124.943 0.269 1
1 777 . 14 1 1 A 63 63 TYR H H 63 9.026 9.510 -0.484 1
1 778 . 14 1 1 A 63 63 TYR HA H 63 5.230 5.159 0.071 1
1 785 . 14 1 1 A 63 63 TYR C C 63 175.088 174.369 0.719 1
1 786 . 14 1 1 A 63 63 TYR CA C 63 56.143 56.393 -0.250 1
1 787 . 14 1 1 A 63 63 TYR CB C 63 41.302 40.289 1.013 1
1 792 . 14 1 1 A 63 63 TYR N N 63 125.467 126.895 -1.428 1
1 793 . 14 1 1 A 64 64 VAL H H 64 8.523 8.827 -0.304 1
1 794 . 14 1 1 A 64 64 VAL HA H 64 5.106 4.872 0.234 1
1 802 . 14 1 1 A 64 64 VAL C C 64 174.072 174.980 -0.908 1
1 803 . 14 1 1 A 64 64 VAL CA C 64 60.302 61.717 -1.415 1
1 804 . 14 1 1 A 64 64 VAL CB C 64 35.121 33.127 1.994 1
1 807 . 14 1 1 A 64 64 VAL N N 64 121.014 123.668 -2.654 1
1 808 . 14 1 1 A 65 65 TYR H H 65 8.832 8.929 -0.097 1
1 809 . 14 1 1 A 65 65 TYR HA H 65 5.289 5.661 -0.372 1
1 816 . 14 1 1 A 65 65 TYR C C 65 172.116 173.560 -1.444 1
1 817 . 14 1 1 A 65 65 TYR CA C 65 56.777 55.175 1.602 1
1 818 . 14 1 1 A 65 65 TYR CB C 65 42.528 41.919 0.609 1
1 819 . 14 1 1 A 65 65 TYR N N 65 120.331 122.704 -2.373 1
1 820 . 14 1 1 A 66 66 GLY H H 66 8.278 9.090 -0.812 1
1 821 . 14 1 1 A 66 66 GLY HA2 H 66 3.449 4.057 -0.608 1
1 822 . 14 1 1 A 66 66 GLY HA3 H 66 4.408 4.154 0.254 1
1 823 . 14 1 1 A 66 66 GLY C C 66 173.636 174.773 -1.137 1
1 824 . 14 1 1 A 66 66 GLY CA C 66 43.793 44.014 -0.221 1
1 825 . 14 1 1 A 66 66 GLY N N 66 108.458 108.250 0.208 1
1 826 . 14 1 1 A 67 67 ALA H H 67 9.485 8.703 0.782 1
1 827 . 14 1 1 A 67 67 ALA HA H 67 4.331 4.180 0.151 1
1 831 . 14 1 1 A 67 67 ALA C C 67 176.363 177.268 -0.905 1
1 832 . 14 1 1 A 67 67 ALA CA C 67 52.848 54.869 -2.021 1
1 833 . 14 1 1 A 67 67 ALA CB C 67 18.178 19.936 -1.758 1
1 834 . 14 1 1 A 67 67 ALA N N 67 126.325 121.757 4.568 1
1 835 . 14 1 1 A 68 68 GLY H H 68 7.553 7.902 -0.349 1
1 836 . 14 1 1 A 68 68 GLY HA2 H 68 4.270 4.140 0.130 1
1 837 . 14 1 1 A 68 68 GLY HA3 H 68 4.209 4.150 0.059 1
1 838 . 14 1 1 A 68 68 GLY C C 68 173.695 174.757 -1.062 1
1 839 . 14 1 1 A 68 68 GLY CA C 68 44.112 44.203 -0.091 1
1 840 . 14 1 1 A 68 68 GLY N N 68 106.057 105.173 0.884 1
1 841 . 14 1 1 A 69 69 ASP H H 69 8.904 9.027 -0.123 1
1 842 . 14 1 1 A 69 69 ASP HA H 69 4.408 4.321 0.087 1
1 845 . 14 1 1 A 69 69 ASP C C 69 178.531 178.576 -0.045 1
1 846 . 14 1 1 A 69 69 ASP CA C 69 57.592 57.255 0.337 1
1 847 . 14 1 1 A 69 69 ASP CB C 69 40.198 40.252 -0.054 1
1 848 . 14 1 1 A 69 69 ASP N N 69 121.078 119.720 1.358 1
1 849 . 14 1 1 A 70 70 GLU H H 70 8.905 8.269 0.636 1
1 850 . 14 1 1 A 70 70 GLU HA H 70 4.110 3.996 0.114 1
1 855 . 14 1 1 A 70 70 GLU C C 70 178.745 178.965 -0.220 1
1 856 . 14 1 1 A 70 70 GLU CA C 70 59.956 59.719 0.237 1
1 857 . 14 1 1 A 70 70 GLU CB C 70 28.534 29.223 -0.689 1
1 859 . 14 1 1 A 70 70 GLU N N 70 120.998 120.382 0.616 1
1 860 . 14 1 1 A 71 71 GLN H H 71 8.453 7.823 0.630 1
1 861 . 14 1 1 A 71 71 GLN HA H 71 4.106 4.066 0.040 1
1 868 . 14 1 1 A 71 71 GLN C C 71 178.164 178.412 -0.248 1
1 869 . 14 1 1 A 71 71 GLN CA C 71 59.350 58.504 0.846 1
1 870 . 14 1 1 A 71 71 GLN CB C 71 29.682 28.297 1.385 1
1 872 . 14 1 1 A 71 71 GLN N N 71 121.273 118.584 2.689 1
1 874 . 14 1 1 A 72 72 THR H H 72 8.267 7.956 0.311 1
1 875 . 14 1 1 A 72 72 THR HA H 72 3.524 3.878 -0.354 1
1 880 . 14 1 1 A 72 72 THR C C 72 175.546 176.333 -0.787 1
1 881 . 14 1 1 A 72 72 THR CA C 72 67.395 66.475 0.920 1
1 882 . 14 1 1 A 72 72 THR CB C 72 68.145 68.560 -0.415 1
1 884 . 14 1 1 A 72 72 THR N N 72 115.641 117.101 -1.460 1
1 885 . 14 1 1 A 73 73 SER H H 73 8.265 8.379 -0.114 1
1 886 . 14 1 1 A 73 73 SER HA H 73 4.029 4.145 -0.116 1
1 889 . 14 1 1 A 73 73 SER C C 73 176.825 177.157 -0.332 1
1 890 . 14 1 1 A 73 73 SER CA C 73 61.746 61.300 0.446 1
1 891 . 14 1 1 A 73 73 SER CB C 73 62.746 62.977 -0.231 1
1 892 . 14 1 1 A 73 73 SER N N 73 115.814 115.113 0.701 1
1 893 . 14 1 1 A 74 74 GLN H H 74 8.119 8.195 -0.076 1
1 894 . 14 1 1 A 74 74 GLN HA H 74 4.090 4.033 0.057 1
1 901 . 14 1 1 A 74 74 GLN C C 74 178.630 177.935 0.695 1
1 902 . 14 1 1 A 74 74 GLN CA C 74 58.903 58.414 0.489 1
1 903 . 14 1 1 A 74 74 GLN CB C 74 27.943 28.850 -0.907 1
1 905 . 14 1 1 A 74 74 GLN N N 74 121.446 120.589 0.857 1
1 907 . 14 1 1 A 75 75 ALA H H 75 8.210 8.015 0.195 1
1 908 . 14 1 1 A 75 75 ALA HA H 75 3.879 4.027 -0.148 1
1 912 . 14 1 1 A 75 75 ALA C C 75 178.843 179.767 -0.924 1
1 913 . 14 1 1 A 75 75 ALA CA C 75 54.959 55.121 -0.162 1
1 914 . 14 1 1 A 75 75 ALA CB C 75 20.226 18.321 1.905 1
1 915 . 14 1 1 A 75 75 ALA N N 75 121.007 122.113 -1.106 1
1 916 . 14 1 1 A 76 76 VAL H H 76 8.257 7.931 0.326 1
1 917 . 14 1 1 A 76 76 VAL HA H 76 3.472 3.418 0.054 1
1 925 . 14 1 1 A 76 76 VAL C C 76 177.639 178.083 -0.444 1
1 926 . 14 1 1 A 76 76 VAL CA C 76 67.080 66.744 0.336 1
1 927 . 14 1 1 A 76 76 VAL CB C 76 30.945 31.378 -0.433 1
1 930 . 14 1 1 A 76 76 VAL N N 76 116.281 118.440 -2.159 1
1 931 . 14 1 1 A 77 77 ASN H H 77 8.190 8.370 -0.180 1
1 932 . 14 1 1 A 77 77 ASN HA H 77 4.430 4.363 0.067 1
1 937 . 14 1 1 A 77 77 ASN C C 77 178.638 177.794 0.844 1
1 938 . 14 1 1 A 77 77 ASN CA C 77 56.666 56.677 -0.011 1
1 939 . 14 1 1 A 77 77 ASN CB C 77 37.950 39.468 -1.518 1
1 940 . 14 1 1 A 77 77 ASN N N 77 118.786 118.881 -0.095 1
1 942 . 14 1 1 A 78 78 LEU H H 78 8.222 7.939 0.283 1
1 943 . 14 1 1 A 78 78 LEU HA H 78 4.045 4.046 -0.001 1
1 953 . 14 1 1 A 78 78 LEU C C 78 180.246 179.688 0.558 1
1 954 . 14 1 1 A 78 78 LEU CA C 78 57.926 58.046 -0.120 1
1 955 . 14 1 1 A 78 78 LEU CB C 78 41.892 41.364 0.528 1
1 959 . 14 1 1 A 78 78 LEU N N 78 121.759 119.838 1.921 1
1 960 . 14 1 1 A 79 79 LEU H H 79 7.887 7.887 0.000 1
1 961 . 14 1 1 A 79 79 LEU HA H 79 4.051 3.928 0.123 1
1 971 . 14 1 1 A 79 79 LEU C C 79 179.804 179.470 0.334 1
1 972 . 14 1 1 A 79 79 LEU CA C 79 57.788 57.919 -0.131 1
1 973 . 14 1 1 A 79 79 LEU CB C 79 41.616 41.179 0.437 1
1 977 . 14 1 1 A 79 79 LEU N N 79 118.127 119.593 -1.466 1
1 978 . 14 1 1 A 80 80 ARG H H 80 8.942 8.434 0.508 1
1 979 . 14 1 1 A 80 80 ARG HA H 80 4.516 4.182 0.334 1
1 987 . 14 1 1 A 80 80 ARG C C 80 181.546 178.539 3.007 1
1 988 . 14 1 1 A 80 80 ARG CA C 80 60.006 58.694 1.312 1
1 989 . 14 1 1 A 80 80 ARG CB C 80 29.510 29.957 -0.447 1
1 992 . 14 1 1 A 80 80 ARG N N 80 120.974 118.748 2.226 1
1 994 . 14 1 1 A 81 81 SER H H 81 8.394 8.202 0.192 1
1 995 . 14 1 1 A 81 81 SER HA H 81 4.307 4.121 0.186 1
1 998 . 14 1 1 A 81 81 SER C C 81 174.601 176.497 -1.896 1
1 999 . 14 1 1 A 81 81 SER CA C 81 61.570 61.441 0.129 1
1 1000 . 14 1 1 A 81 81 SER CB C 81 62.832 63.269 -0.437 1
1 1001 . 14 1 1 A 81 81 SER N N 81 116.329 115.158 1.171 1
1 1002 . 14 1 1 A 82 82 ALA H H 82 7.507 7.595 -0.088 1
1 1003 . 14 1 1 A 82 82 ALA HA H 82 4.546 4.442 0.104 1
1 1007 . 14 1 1 A 82 82 ALA C C 82 176.449 177.737 -1.288 1
1 1008 . 14 1 1 A 82 82 ALA CA C 82 51.759 52.263 -0.504 1
1 1009 . 14 1 1 A 82 82 ALA CB C 82 18.850 19.543 -0.693 1
1 1010 . 14 1 1 A 82 82 ALA N N 82 122.576 119.333 3.243 1
1 1011 . 14 1 1 A 83 83 GLY H H 83 7.678 7.872 -0.194 1
1 1012 . 14 1 1 A 83 83 GLY HA2 H 83 3.623 3.923 -0.300 1
1 1013 . 14 1 1 A 83 83 GLY HA3 H 83 4.217 3.967 0.250 1
1 1014 . 14 1 1 A 83 83 GLY C C 83 174.557 174.722 -0.165 1
1 1015 . 14 1 1 A 83 83 GLY CA C 83 44.741 45.526 -0.785 1
1 1016 . 14 1 1 A 83 83 GLY N N 83 104.117 107.053 -2.936 1
1 1017 . 14 1 1 A 84 84 PHE H H 84 7.923 7.896 0.027 1
1 1018 . 14 1 1 A 84 84 PHE HA H 84 4.254 4.413 -0.159 1
1 1026 . 14 1 1 A 84 84 PHE C C 84 176.479 176.238 0.241 1
1 1027 . 14 1 1 A 84 84 PHE CA C 84 60.127 59.295 0.832 1
1 1028 . 14 1 1 A 84 84 PHE CB C 84 36.999 38.545 -1.546 1
1 1034 . 14 1 1 A 84 84 PHE N N 84 119.861 119.817 0.044 1
1 1035 . 14 1 1 A 85 85 GLU H H 85 7.730 8.913 -1.183 1
1 1036 . 14 1 1 A 85 85 GLU HA H 85 3.965 4.192 -0.227 1
1 1041 . 14 1 1 A 85 85 GLU C C 85 176.966 177.132 -0.166 1
1 1042 . 14 1 1 A 85 85 GLU CA C 85 57.841 59.451 -1.610 1
1 1043 . 14 1 1 A 85 85 GLU CB C 85 32.054 29.994 2.060 1
1 1045 . 14 1 1 A 85 85 GLU N N 85 122.200 124.938 -2.738 1
1 1046 . 14 1 1 A 86 86 HIS H H 86 9.957 7.891 2.066 1
1 1047 . 14 1 1 A 86 86 HIS HA H 86 4.988 4.814 0.174 1
1 1052 . 14 1 1 A 86 86 HIS C C 86 171.400 174.225 -2.825 1
1 1053 . 14 1 1 A 86 86 HIS CA C 86 53.063 54.870 -1.807 1
1 1054 . 14 1 1 A 86 86 HIS CB C 86 29.823 28.113 1.710 1
1 1057 . 14 1 1 A 86 86 HIS N N 86 122.245 117.526 4.719 1
1 1060 . 14 1 1 A 87 87 VAL H H 87 8.233 8.934 -0.701 1
1 1061 . 14 1 1 A 87 87 VAL HA H 87 4.934 4.946 -0.012 1
1 1069 . 14 1 1 A 87 87 VAL C C 87 175.510 174.559 0.951 1
1 1070 . 14 1 1 A 87 87 VAL CA C 87 59.972 60.740 -0.768 1
1 1071 . 14 1 1 A 87 87 VAL CB C 87 33.883 34.876 -0.993 1
1 1074 . 14 1 1 A 87 87 VAL N N 87 120.946 125.292 -4.346 1
1 1075 . 14 1 1 A 88 88 SER H H 88 8.968 8.726 0.242 1
1 1076 . 14 1 1 A 88 88 SER HA H 88 4.869 5.102 -0.233 1
1 1079 . 14 1 1 A 88 88 SER C C 88 174.093 173.292 0.801 1
1 1080 . 14 1 1 A 88 88 SER CA C 88 55.935 57.211 -1.276 1
1 1081 . 14 1 1 A 88 88 SER CB C 88 66.077 66.273 -0.196 1
1 1082 . 14 1 1 A 88 88 SER N N 88 121.913 122.972 -1.059 1
1 1083 . 14 1 1 A 89 89 GLU H H 89 8.628 8.859 -0.231 1
1 1084 . 14 1 1 A 89 89 GLU HA H 89 4.233 4.652 -0.419 1
1 1089 . 14 1 1 A 89 89 GLU C C 89 175.212 176.183 -0.971 1
1 1090 . 14 1 1 A 89 89 GLU CA C 89 55.728 56.506 -0.778 1
1 1091 . 14 1 1 A 89 89 GLU CB C 89 31.640 30.248 1.392 1
1 1093 . 14 1 1 A 89 89 GLU N N 89 125.288 124.007 1.281 1
1 1094 . 14 1 1 A 90 90 LEU H H 90 8.727 8.721 0.006 1
1 1095 . 14 1 1 A 90 90 LEU HA H 90 4.829 4.758 0.071 1
1 1105 . 14 1 1 A 90 90 LEU C C 90 175.893 175.614 0.279 1
1 1106 . 14 1 1 A 90 90 LEU CA C 90 53.771 55.025 -1.254 1
1 1107 . 14 1 1 A 90 90 LEU CB C 90 41.511 42.769 -1.258 1
1 1111 . 14 1 1 A 90 90 LEU N N 90 125.766 127.926 -2.160 1
1 1112 . 14 1 1 A 91 91 LYS H H 91 8.715 8.944 -0.229 1
1 1113 . 14 1 1 A 91 91 LYS HA H 91 4.164 4.011 0.153 1
1 1122 . 14 1 1 A 91 91 LYS C C 91 177.680 177.250 0.430 1
1 1123 . 14 1 1 A 91 91 LYS CA C 91 57.796 58.020 -0.224 1
1 1124 . 14 1 1 A 91 91 LYS CB C 91 31.705 31.582 0.123 1
1 1128 . 14 1 1 A 91 91 LYS N N 91 131.405 126.789 4.616 1
1 1129 . 14 1 1 A 92 92 GLY H H 92 9.408 8.508 0.900 1
1 1130 . 14 1 1 A 92 92 GLY HA2 H 92 3.828 3.968 -0.140 1
1 1131 . 14 1 1 A 92 92 GLY HA3 H 92 4.268 3.978 0.290 1
1 1132 . 14 1 1 A 92 92 GLY C C 92 175.634 174.723 0.911 1
1 1133 . 14 1 1 A 92 92 GLY CA C 92 46.001 44.987 1.014 1
1 1134 . 14 1 1 A 92 92 GLY N N 92 115.262 112.359 2.903 1
1 1135 . 14 1 1 A 93 93 GLY H H 93 7.616 8.276 -0.660 1
1 1136 . 14 1 1 A 93 93 GLY HA2 H 93 3.429 4.077 -0.648 1
1 1137 . 14 1 1 A 93 93 GLY HA3 H 93 4.276 4.155 0.121 1
1 1138 . 14 1 1 A 93 93 GLY C C 93 172.357 174.867 -2.510 1
1 1139 . 14 1 1 A 93 93 GLY CA C 93 46.436 45.995 0.441 1
1 1140 . 14 1 1 A 93 93 GLY N N 93 106.201 109.424 -3.223 1
1 1141 . 14 1 1 A 94 94 LEU H H 94 8.854 9.023 -0.169 1
1 1142 . 14 1 1 A 94 94 LEU HA H 94 3.643 4.207 -0.564 1
1 1152 . 14 1 1 A 94 94 LEU C C 94 178.092 178.691 -0.599 1
1 1153 . 14 1 1 A 94 94 LEU CA C 94 56.966 57.539 -0.573 1
1 1154 . 14 1 1 A 94 94 LEU CB C 94 41.937 41.695 0.242 1
1 1158 . 14 1 1 A 94 94 LEU N N 94 124.279 125.487 -1.208 1
1 1159 . 14 1 1 A 95 95 ALA H H 95 8.683 8.311 0.372 1
1 1160 . 14 1 1 A 95 95 ALA HA H 95 4.061 4.031 0.030 1
1 1164 . 14 1 1 A 95 95 ALA C C 95 180.877 179.881 0.996 1
1 1165 . 14 1 1 A 95 95 ALA CA C 95 55.406 55.549 -0.143 1
1 1166 . 14 1 1 A 95 95 ALA CB C 95 18.053 17.841 0.212 1
1 1167 . 14 1 1 A 95 95 ALA N N 95 120.253 120.796 -0.543 1
1 1168 . 14 1 1 A 96 96 ALA H H 96 7.249 7.502 -0.253 1
1 1169 . 14 1 1 A 96 96 ALA HA H 96 4.132 4.054 0.078 1
1 1173 . 14 1 1 A 96 96 ALA C C 96 179.350 179.423 -0.073 1
1 1174 . 14 1 1 A 96 96 ALA CA C 96 54.429 54.846 -0.417 1
1 1175 . 14 1 1 A 96 96 ALA CB C 96 18.580 18.239 0.341 1
1 1176 . 14 1 1 A 96 96 ALA N N 96 121.080 120.093 0.987 1
1 1177 . 14 1 1 A 97 97 TRP H H 97 7.636 7.986 -0.350 1
1 1178 . 14 1 1 A 97 97 TRP HA H 97 4.051 4.066 -0.015 1
1 1187 . 14 1 1 A 97 97 TRP C C 97 178.223 178.586 -0.363 1
1 1188 . 14 1 1 A 97 97 TRP CA C 97 59.343 61.578 -2.235 1
1 1189 . 14 1 1 A 97 97 TRP CB C 97 29.734 29.758 -0.024 1
1 1195 . 14 1 1 A 97 97 TRP N N 97 119.015 121.026 -2.011 1
1 1197 . 14 1 1 A 98 98 LYS H H 98 8.764 8.455 0.309 1
1 1198 . 14 1 1 A 98 98 LYS HA H 98 3.886 4.106 -0.220 1
1 1207 . 14 1 1 A 98 98 LYS C C 98 180.503 179.278 1.225 1
1 1208 . 14 1 1 A 98 98 LYS CA C 98 59.365 59.374 -0.009 1
1 1209 . 14 1 1 A 98 98 LYS CB C 98 31.899 32.442 -0.543 1
1 1213 . 14 1 1 A 98 98 LYS N N 98 117.855 118.743 -0.888 1
1 1214 . 14 1 1 A 99 99 ALA H H 99 7.802 8.474 -0.672 1
1 1215 . 14 1 1 A 99 99 ALA HA H 99 4.139 4.067 0.072 1
1 1219 . 14 1 1 A 99 99 ALA C C 99 179.188 179.540 -0.352 1
1 1220 . 14 1 1 A 99 99 ALA CA C 99 54.521 55.035 -0.514 1
1 1221 . 14 1 1 A 99 99 ALA CB C 99 18.016 18.327 -0.311 1
1 1222 . 14 1 1 A 99 99 ALA N N 99 121.263 122.217 -0.954 1
1 1223 . 14 1 1 A 100 100 ILE H H 100 6.803 7.788 -0.985 1
1 1224 . 14 1 1 A 100 100 ILE HA H 100 4.509 4.055 0.454 1
1 1234 . 14 1 1 A 100 100 ILE C C 100 175.810 176.700 -0.890 1
1 1235 . 14 1 1 A 100 100 ILE CA C 100 59.964 60.758 -0.794 1
1 1236 . 14 1 1 A 100 100 ILE CB C 100 37.866 37.093 0.773 1
1 1240 . 14 1 1 A 100 100 ILE N N 100 107.978 111.377 -3.399 1
1 1241 . 14 1 1 A 101 101 GLY H H 101 7.741 7.749 -0.008 1
1 1242 . 14 1 1 A 101 101 GLY HA2 H 101 3.618 3.921 -0.303 1
1 1243 . 14 1 1 A 101 101 GLY HA3 H 101 3.866 3.926 -0.060 1
1 1244 . 14 1 1 A 101 101 GLY C C 101 175.319 175.141 0.178 1
1 1245 . 14 1 1 A 101 101 GLY CA C 101 45.444 46.566 -1.122 1
1 1246 . 14 1 1 A 101 101 GLY N N 101 109.732 111.378 -1.646 1
1 1247 . 14 1 1 A 102 102 GLY H H 102 7.823 8.064 -0.241 1
1 1248 . 14 1 1 A 102 102 GLY HA2 H 102 2.942 3.049 -0.107 1
1 1249 . 14 1 1 A 102 102 GLY HA3 H 102 2.942 3.708 -0.766 1
1 1250 . 14 1 1 A 102 102 GLY C C 102 171.578 173.129 -1.551 1
1 1251 . 14 1 1 A 102 102 GLY CA C 102 41.964 44.094 -2.130 1
1 1252 . 14 1 1 A 102 102 GLY N N 102 108.608 107.675 0.933 1
1 1253 . 14 1 1 A 103 103 PRO HA H 103 4.643 4.812 -0.169 1
1 1260 . 14 1 1 A 103 103 PRO C C 103 178.778 176.846 1.932 1
1 1261 . 14 1 1 A 103 103 PRO CA C 103 62.843 62.996 -0.153 1
1 1262 . 14 1 1 A 103 103 PRO CB C 103 32.263 32.102 0.161 1
1 1265 . 14 1 1 A 104 104 THR H H 104 8.760 8.612 0.148 1
1 1266 . 14 1 1 A 104 104 THR HA H 104 5.017 5.175 -0.158 1
1 1271 . 14 1 1 A 104 104 THR C C 104 172.498 173.093 -0.595 1
1 1272 . 14 1 1 A 104 104 THR CA C 104 59.729 59.699 0.030 1
1 1273 . 14 1 1 A 104 104 THR CB C 104 72.479 72.296 0.183 1
1 1275 . 14 1 1 A 104 104 THR N N 104 116.086 112.715 3.371 1
1 1276 . 14 1 1 A 105 105 GLU H H 105 8.267 8.585 -0.318 1
1 1277 . 14 1 1 A 105 105 GLU HA H 105 4.499 4.918 -0.419 1
1 1282 . 14 1 1 A 105 105 GLU C C 105 173.848 174.885 -1.037 1
1 1283 . 14 1 1 A 105 105 GLU CA C 105 54.647 54.604 0.043 1
1 1284 . 14 1 1 A 105 105 GLU CB C 105 34.227 32.937 1.290 1
1 1286 . 14 1 1 A 105 105 GLU N N 105 117.663 120.016 -2.353 1
1 1287 . 14 1 1 A 106 106 GLY H H 106 8.207 8.305 -0.098 1
1 1288 . 14 1 1 A 106 106 GLY HA2 H 106 3.873 4.151 -0.278 1
1 1289 . 14 1 1 A 106 106 GLY HA3 H 106 3.873 4.241 -0.368 1
1 1290 . 14 1 1 A 106 106 GLY C C 106 173.052 174.338 -1.286 1
1 1291 . 14 1 1 A 106 106 GLY CA C 106 44.313 44.395 -0.082 1
1 1292 . 14 1 1 A 106 106 GLY N N 106 108.896 108.276 0.620 1
1 1293 . 14 1 1 A 107 107 ILE H H 107 8.333 9.201 -0.868 1
1 1294 . 14 1 1 A 107 107 ILE HA H 107 4.110 4.102 0.008 1
1 1304 . 14 1 1 A 107 107 ILE C C 107 176.773 177.662 -0.889 1
1 1305 . 14 1 1 A 107 107 ILE CA C 107 62.404 63.671 -1.267 1
1 1306 . 14 1 1 A 107 107 ILE CB C 107 38.826 38.080 0.746 1
1 1310 . 14 1 1 A 107 107 ILE N N 107 119.410 119.596 -0.186 1
1 1311 . 14 1 1 A 108 108 ILE H H 108 8.369 8.156 0.213 1
1 1312 . 14 1 1 A 108 108 ILE HA H 108 4.167 3.667 0.500 1
1 1322 . 14 1 1 A 108 108 ILE C C 108 176.821 178.391 -1.570 1
1 1323 . 14 1 1 A 108 108 ILE CA C 108 61.060 64.945 -3.885 1
1 1324 . 14 1 1 A 108 108 ILE CB C 108 37.984 37.297 0.687 1
1 1328 . 14 1 1 A 108 108 ILE N N 108 122.390 120.901 1.489 1
1 1329 . 14 1 1 A 109 109 GLU H H 109 8.127 7.658 0.469 1
1 1330 . 14 1 1 A 109 109 GLU HA H 109 4.218 4.116 0.102 1
1 1335 . 14 1 1 A 109 109 GLU C C 109 176.438 177.552 -1.114 1
1 1336 . 14 1 1 A 109 109 GLU CA C 109 56.548 59.080 -2.532 1
1 1337 . 14 1 1 A 109 109 GLU CB C 109 30.178 29.186 0.992 1
1 1339 . 14 1 1 A 109 109 GLU N N 109 123.739 120.967 2.772 1
1 1340 . 14 1 1 A 110 110 SER H H 110 8.291 7.711 0.580 1
1 1341 . 14 1 1 A 110 110 SER HA H 110 4.446 4.642 -0.196 1
1 1344 . 14 1 1 A 110 110 SER C C 110 174.330 173.978 0.352 1
1 1345 . 14 1 1 A 110 110 SER CA C 110 58.252 58.351 -0.099 1
1 1346 . 14 1 1 A 110 110 SER CB C 110 63.598 63.798 -0.200 1
1 1347 . 14 1 1 A 110 110 SER N N 110 116.242 113.481 2.761 1
1 1348 . 14 1 1 A 111 111 ARG H H 111 8.238 7.872 0.366 1
1 1349 . 14 1 1 A 111 111 ARG HA H 111 4.426 4.800 -0.374 1
1 1357 . 14 1 1 A 111 111 ARG C C 111 176.113 175.805 0.308 1
1 1358 . 14 1 1 A 111 111 ARG CA C 111 55.848 55.273 0.575 1
1 1359 . 14 1 1 A 111 111 ARG CB C 111 30.755 31.732 -0.977 1
1 1362 . 14 1 1 A 111 111 ARG N N 111 122.827 120.759 2.068 1
1 1364 . 14 1 1 A 112 112 THR H H 112 8.229 8.582 -0.353 1
1 1365 . 14 1 1 A 112 112 THR HA H 112 4.573 5.133 -0.560 1
1 1370 . 14 1 1 A 112 112 THR C C 112 172.790 173.145 -0.355 1
1 1371 . 14 1 1 A 112 112 THR CA C 112 59.716 58.722 0.994 1
1 1372 . 14 1 1 A 112 112 THR CB C 112 69.503 69.819 -0.316 1
1 1374 . 14 1 1 A 112 112 THR N N 112 117.863 117.006 0.857 1
1 1375 . 14 1 1 A 113 113 PRO HA H 113 4.388 4.921 -0.533 1
1 1382 . 14 1 1 A 113 113 PRO C C 113 176.605 175.930 0.675 1
1 1383 . 14 1 1 A 113 113 PRO CA C 113 63.131 62.282 0.849 1
1 1384 . 14 1 1 A 113 113 PRO CB C 113 31.931 31.750 0.181 1
1 1387 . 14 1 1 A 114 114 ALA H H 114 8.422 8.541 -0.119 1
1 1388 . 14 1 1 A 114 114 ALA HA H 114 4.284 4.969 -0.685 1
1 1392 . 14 1 1 A 114 114 ALA C C 114 178.251 176.705 1.546 1
1 1393 . 14 1 1 A 114 114 ALA CA C 114 52.518 50.909 1.609 1
1 1394 . 14 1 1 A 114 114 ALA CB C 114 19.131 22.941 -3.810 1
1 1395 . 14 1 1 A 114 114 ALA N N 114 124.466 126.968 -2.502 1
1 1396 . 14 1 1 A 115 115 GLY H H 115 8.380 8.803 -0.423 1
1 1397 . 14 1 1 A 115 115 GLY HA2 H 115 3.956 4.180 -0.224 1
1 1398 . 14 1 1 A 115 115 GLY HA3 H 115 3.934 4.180 -0.246 1
1 1399 . 14 1 1 A 115 115 GLY C C 115 174.020 173.457 0.563 1
1 1400 . 14 1 1 A 115 115 GLY CA C 115 45.095 44.052 1.043 1
1 1401 . 14 1 1 A 115 115 GLY N N 115 108.587 108.875 -0.288 1
1 1402 . 14 1 1 A 116 116 ALA H H 116 8.127 8.460 -0.333 1
1 1403 . 14 1 1 A 116 116 ALA HA H 116 4.292 4.731 -0.439 1
1 1407 . 14 1 1 A 116 116 ALA C C 116 177.565 176.100 1.465 1
1 1408 . 14 1 1 A 116 116 ALA CA C 116 52.504 51.097 1.407 1
1 1409 . 14 1 1 A 116 116 ALA CB C 116 19.187 20.176 -0.989 1
1 1410 . 14 1 1 A 116 116 ALA N N 116 123.523 121.909 1.614 1
1 1411 . 14 1 1 A 117 117 ASP H H 117 8.316 8.657 -0.341 1
1 1412 . 14 1 1 A 117 117 ASP HA H 117 4.555 4.592 -0.037 1
1 1415 . 14 1 1 A 117 117 ASP C C 117 175.899 176.171 -0.272 1
1 1416 . 14 1 1 A 117 117 ASP CA C 117 54.254 54.779 -0.525 1
1 1417 . 14 1 1 A 117 117 ASP CB C 117 40.962 41.530 -0.568 1
1 1418 . 14 1 1 A 117 117 ASP N N 117 118.783 118.920 -0.137 1
1 1419 . 14 1 1 A 118 118 ASP H H 118 8.083 8.848 -0.765 1
1 1420 . 14 1 1 A 118 118 ASP HA H 118 4.529 4.979 -0.450 1
1 1423 . 14 1 1 A 118 118 ASP C C 118 176.278 177.056 -0.778 1
1 1424 . 14 1 1 A 118 118 ASP CA C 118 54.202 52.847 1.355 1
1 1425 . 14 1 1 A 118 118 ASP CB C 118 40.933 42.442 -1.509 1
1 1426 . 14 1 1 A 118 118 ASP N N 118 119.935 121.454 -1.519 1
1 1427 . 14 1 1 A 119 119 TYR H H 119 8.107 9.027 -0.920 1
1 1428 . 14 1 1 A 119 119 TYR HA H 119 4.450 4.288 0.162 1
1 1435 . 14 1 1 A 119 119 TYR C C 119 175.825 176.487 -0.662 1
1 1436 . 14 1 1 A 119 119 TYR CA C 119 58.350 61.014 -2.664 1
1 1437 . 14 1 1 A 119 119 TYR CB C 119 38.260 38.012 0.248 1
1 1442 . 14 1 1 A 119 119 TYR N N 119 120.415 120.485 -0.070 1
1 1443 . 14 1 1 A 120 120 ASN H H 120 8.276 7.294 0.982 1
1 1444 . 14 1 1 A 120 120 ASN HA H 120 4.615 4.022 0.593 1
1 1449 . 14 1 1 A 120 120 ASN C C 120 175.102 174.633 0.469 1
1 1450 . 14 1 1 A 120 120 ASN CA C 120 53.396 55.238 -1.842 1
1 1451 . 14 1 1 A 120 120 ASN CB C 120 38.712 36.851 1.861 1
1 1452 . 14 1 1 A 120 120 ASN N N 120 119.834 113.717 6.117 1
1 1454 . 14 1 1 A 121 121 VAL H H 121 7.897 8.079 -0.182 1
1 1455 . 14 1 1 A 121 121 VAL HA H 121 4.009 3.907 0.102 1
1 1463 . 14 1 1 A 121 121 VAL C C 121 176.484 175.900 0.584 1
1 1464 . 14 1 1 A 121 121 VAL CA C 121 62.950 62.592 0.358 1
1 1465 . 14 1 1 A 121 121 VAL CB C 121 32.326 30.653 1.673 1
1 1468 . 14 1 1 A 121 121 VAL N N 121 120.109 116.115 3.994 1
1 1469 . 14 1 1 A 122 122 VAL H H 122 8.091 8.078 0.013 1
1 1470 . 14 1 1 A 122 122 VAL HA H 122 4.014 3.799 0.215 1
1 1478 . 14 1 1 A 122 122 VAL C C 122 176.568 175.549 1.019 1
1 1479 . 14 1 1 A 122 122 VAL CA C 122 62.924 64.884 -1.960 1
1 1480 . 14 1 1 A 122 122 VAL CB C 122 32.279 32.262 0.017 1
1 1483 . 14 1 1 A 122 122 VAL N N 122 122.407 129.641 -7.234 1
1 1484 . 14 1 1 A 123 123 SER H H 123 8.228 8.003 0.225 1
1 1485 . 14 1 1 A 123 123 SER HA H 123 4.385 4.378 0.007 1
1 1488 . 14 1 1 A 123 123 SER C C 123 174.863 173.630 1.233 1
1 1489 . 14 1 1 A 123 123 SER CA C 123 58.525 59.060 -0.535 1
1 1490 . 14 1 1 A 123 123 SER CB C 123 63.450 62.934 0.516 1
1 1491 . 14 1 1 A 123 123 SER N N 123 118.095 116.656 1.439 1
1 1492 . 14 1 1 A 124 124 ARG H H 124 8.208 8.804 -0.596 1
1 1493 . 14 1 1 A 124 124 ARG HA H 124 4.297 4.060 0.237 1
1 1500 . 14 1 1 A 124 124 ARG C C 124 176.328 176.440 -0.112 1
1 1501 . 14 1 1 A 124 124 ARG CA C 124 56.408 58.294 -1.886 1
1 1502 . 14 1 1 A 124 124 ARG CB C 124 30.480 29.074 1.406 1
1 1505 . 14 1 1 A 124 124 ARG N N 124 122.632 121.840 0.792 1
1 1506 . 14 1 1 A 125 125 LEU H H 125 8.081 8.746 -0.665 1
1 1507 . 14 1 1 A 125 125 LEU HA H 125 4.262 3.816 0.446 1
1 1517 . 14 1 1 A 125 125 LEU C C 125 177.375 177.295 0.080 1
1 1518 . 14 1 1 A 125 125 LEU CA C 125 55.282 55.767 -0.485 1
1 1519 . 14 1 1 A 125 125 LEU CB C 125 42.042 41.497 0.545 1
1 1523 . 14 1 1 A 125 125 LEU N N 125 121.964 123.651 -1.687 1
1 1524 . 14 1 1 A 126 126 GLU H H 126 8.232 8.183 0.049 1
1 1525 . 14 1 1 A 126 126 GLU HA H 126 4.179 4.116 0.063 1
1 1530 . 14 1 1 A 126 126 GLU C C 126 176.238 176.060 0.178 1
1 1531 . 14 1 1 A 126 126 GLU CA C 126 56.451 57.528 -1.077 1
1 1532 . 14 1 1 A 126 126 GLU CB C 126 30.131 29.728 0.403 1
1 14 . 15 1 1 A 2 2 GLU H H 2 8.824 8.566 0.258 1
1 15 . 15 1 1 A 2 2 GLU HA H 2 4.687 4.348 0.339 1
1 20 . 15 1 1 A 2 2 GLU C C 2 175.506 176.537 -1.031 1
1 21 . 15 1 1 A 2 2 GLU CA C 2 54.603 54.860 -0.257 1
1 22 . 15 1 1 A 2 2 GLU CB C 2 29.310 29.223 0.087 1
1 24 . 15 1 1 A 2 2 GLU N N 2 125.698 125.281 0.417 1
1 25 . 15 1 1 A 3 3 PRO HA H 3 4.398 4.317 0.081 1
1 32 . 15 1 1 A 3 3 PRO C C 3 176.267 175.329 0.938 1
1 33 . 15 1 1 A 3 3 PRO CA C 3 64.781 64.534 0.247 1
1 34 . 15 1 1 A 3 3 PRO CB C 3 31.918 32.052 -0.134 1
1 37 . 15 1 1 A 4 4 GLN H H 4 7.738 7.475 0.263 1
1 38 . 15 1 1 A 4 4 GLN HA H 4 4.908 4.979 -0.071 1
1 45 . 15 1 1 A 4 4 GLN C C 4 175.006 173.485 1.521 1
1 46 . 15 1 1 A 4 4 GLN CA C 4 54.697 54.149 0.548 1
1 47 . 15 1 1 A 4 4 GLN CB C 4 31.196 32.200 -1.004 1
1 49 . 15 1 1 A 4 4 GLN N N 4 114.971 115.342 -0.371 1
1 51 . 15 1 1 A 5 5 SER H H 5 9.180 8.546 0.634 1
1 52 . 15 1 1 A 5 5 SER HA H 5 4.825 4.966 -0.141 1
1 55 . 15 1 1 A 5 5 SER C C 5 172.669 172.074 0.595 1
1 56 . 15 1 1 A 5 5 SER CA C 5 58.100 56.725 1.375 1
1 57 . 15 1 1 A 5 5 SER CB C 5 65.536 66.073 -0.537 1
1 58 . 15 1 1 A 5 5 SER N N 5 117.801 115.977 1.824 1
1 59 . 15 1 1 A 6 6 ASP H H 6 8.386 8.740 -0.354 1
1 60 . 15 1 1 A 6 6 ASP HA H 6 4.841 4.665 0.176 1
1 63 . 15 1 1 A 6 6 ASP C C 6 177.071 177.192 -0.121 1
1 64 . 15 1 1 A 6 6 ASP CA C 6 53.810 54.281 -0.471 1
1 65 . 15 1 1 A 6 6 ASP CB C 6 42.427 42.647 -0.220 1
1 66 . 15 1 1 A 6 6 ASP N N 6 123.042 124.189 -1.147 1
1 67 . 15 1 1 A 7 7 ALA H H 7 9.312 8.868 0.444 1
1 68 . 15 1 1 A 7 7 ALA HA H 7 4.036 4.158 -0.122 1
1 72 . 15 1 1 A 7 7 ALA C C 7 178.859 180.010 -1.151 1
1 73 . 15 1 1 A 7 7 ALA CA C 7 55.703 55.307 0.396 1
1 74 . 15 1 1 A 7 7 ALA CB C 7 17.952 18.296 -0.344 1
1 75 . 15 1 1 A 7 7 ALA N N 7 123.976 127.965 -3.989 1
1 76 . 15 1 1 A 8 8 HIS H H 8 8.537 7.801 0.736 1
1 77 . 15 1 1 A 8 8 HIS HA H 8 3.950 4.225 -0.275 1
1 82 . 15 1 1 A 8 8 HIS C C 8 178.023 177.889 0.134 1
1 83 . 15 1 1 A 8 8 HIS CA C 8 59.778 58.062 1.716 1
1 84 . 15 1 1 A 8 8 HIS CB C 8 29.039 28.523 0.516 1
1 87 . 15 1 1 A 8 8 HIS N N 8 114.303 115.538 -1.235 1
1 90 . 15 1 1 A 9 9 VAL H H 9 7.567 7.937 -0.370 1
1 91 . 15 1 1 A 9 9 VAL HA H 9 3.709 3.504 0.205 1
1 99 . 15 1 1 A 9 9 VAL C C 9 178.518 178.319 0.199 1
1 100 . 15 1 1 A 9 9 VAL CA C 9 65.508 66.906 -1.398 1
1 101 . 15 1 1 A 9 9 VAL CB C 9 31.604 31.250 0.354 1
1 104 . 15 1 1 A 9 9 VAL N N 9 121.235 121.208 0.027 1
1 105 . 15 1 1 A 10 10 LEU H H 10 7.219 8.131 -0.912 1
1 106 . 15 1 1 A 10 10 LEU HA H 10 3.716 3.839 -0.123 1
1 116 . 15 1 1 A 10 10 LEU C C 10 177.133 178.300 -1.167 1
1 117 . 15 1 1 A 10 10 LEU CA C 10 57.133 58.452 -1.319 1
1 118 . 15 1 1 A 10 10 LEU CB C 10 40.756 41.291 -0.535 1
1 122 . 15 1 1 A 10 10 LEU N N 10 120.890 120.101 0.789 1
1 123 . 15 1 1 A 11 11 LYS H H 11 8.568 8.379 0.189 1
1 124 . 15 1 1 A 11 11 LYS HA H 11 3.943 3.923 0.020 1
1 133 . 15 1 1 A 11 11 LYS C C 11 178.143 178.735 -0.592 1
1 134 . 15 1 1 A 11 11 LYS CA C 11 60.388 59.435 0.953 1
1 135 . 15 1 1 A 11 11 LYS CB C 11 32.354 31.806 0.548 1
1 139 . 15 1 1 A 11 11 LYS N N 11 120.361 119.660 0.701 1
1 140 . 15 1 1 A 12 12 SER H H 12 7.865 8.325 -0.460 1
1 141 . 15 1 1 A 12 12 SER HA H 12 4.225 4.327 -0.102 1
1 144 . 15 1 1 A 12 12 SER C C 12 175.839 175.979 -0.140 1
1 145 . 15 1 1 A 12 12 SER CA C 12 61.626 61.800 -0.174 1
1 146 . 15 1 1 A 12 12 SER CB C 12 62.749 62.951 -0.202 1
1 147 . 15 1 1 A 12 12 SER N N 12 113.173 117.674 -4.501 1
1 148 . 15 1 1 A 13 13 ARG H H 13 7.701 7.987 -0.286 1
1 149 . 15 1 1 A 13 13 ARG HA H 13 3.827 4.198 -0.371 1
1 157 . 15 1 1 A 13 13 ARG C C 13 178.606 178.443 0.163 1
1 158 . 15 1 1 A 13 13 ARG CA C 13 58.926 58.669 0.257 1
1 159 . 15 1 1 A 13 13 ARG CB C 13 29.616 29.779 -0.163 1
1 162 . 15 1 1 A 13 13 ARG N N 13 122.104 121.671 0.433 1
1 164 . 15 1 1 A 14 14 LEU H H 14 8.308 8.216 0.092 1
1 165 . 15 1 1 A 14 14 LEU HA H 14 4.219 4.504 -0.285 1
1 175 . 15 1 1 A 14 14 LEU C C 14 178.590 178.697 -0.107 1
1 176 . 15 1 1 A 14 14 LEU CA C 14 57.904 58.151 -0.247 1
1 177 . 15 1 1 A 14 14 LEU CB C 14 42.627 42.174 0.453 1
1 181 . 15 1 1 A 14 14 LEU N N 14 119.549 120.983 -1.434 1
1 182 . 15 1 1 A 15 15 GLU H H 15 7.824 8.322 -0.498 1
1 183 . 15 1 1 A 15 15 GLU HA H 15 3.998 4.257 -0.259 1
1 188 . 15 1 1 A 15 15 GLU C C 15 177.805 177.137 0.668 1
1 189 . 15 1 1 A 15 15 GLU CA C 15 58.219 58.167 0.052 1
1 190 . 15 1 1 A 15 15 GLU CB C 15 29.865 30.779 -0.914 1
1 192 . 15 1 1 A 15 15 GLU N N 15 116.921 117.815 -0.894 1
1 193 . 15 1 1 A 16 16 TRP H H 16 7.905 8.303 -0.398 1
1 194 . 15 1 1 A 16 16 TRP HA H 16 4.895 4.776 0.119 1
1 203 . 15 1 1 A 16 16 TRP C C 16 176.778 176.474 0.304 1
1 204 . 15 1 1 A 16 16 TRP CA C 16 57.033 58.550 -1.517 1
1 205 . 15 1 1 A 16 16 TRP CB C 16 30.513 31.227 -0.714 1
1 211 . 15 1 1 A 16 16 TRP N N 16 116.589 117.609 -1.020 1
1 213 . 15 1 1 A 17 17 GLY H H 17 8.007 8.064 -0.057 1
1 214 . 15 1 1 A 17 17 GLY HA2 H 17 3.979 4.169 -0.190 1
1 215 . 15 1 1 A 17 17 GLY HA3 H 17 4.200 4.173 0.027 1
1 216 . 15 1 1 A 17 17 GLY C C 17 173.650 172.769 0.881 1
1 217 . 15 1 1 A 17 17 GLY CA C 17 44.786 44.571 0.215 1
1 218 . 15 1 1 A 17 17 GLY N N 17 108.398 108.036 0.362 1
1 219 . 15 1 1 A 18 18 GLU H H 18 8.483 8.460 0.023 1
1 220 . 15 1 1 A 18 18 GLU HA H 18 4.534 4.757 -0.223 1
1 225 . 15 1 1 A 18 18 GLU C C 18 176.535 176.111 0.424 1
1 226 . 15 1 1 A 18 18 GLU CA C 18 54.615 53.243 1.372 1
1 227 . 15 1 1 A 18 18 GLU CB C 18 29.654 30.927 -1.273 1
1 229 . 15 1 1 A 18 18 GLU N N 18 121.984 122.031 -0.047 1
1 230 . 15 1 1 A 19 19 PRO HA H 19 4.549 4.444 0.105 1
1 237 . 15 1 1 A 19 19 PRO C C 19 176.737 176.358 0.379 1
1 238 . 15 1 1 A 19 19 PRO CA C 19 63.685 63.932 -0.247 1
1 239 . 15 1 1 A 19 19 PRO CB C 19 30.940 32.020 -1.080 1
1 242 . 15 1 1 A 20 20 ALA H H 20 8.386 8.367 0.019 1
1 243 . 15 1 1 A 20 20 ALA HA H 20 4.536 4.464 0.072 1
1 247 . 15 1 1 A 20 20 ALA C C 20 174.844 176.293 -1.449 1
1 248 . 15 1 1 A 20 20 ALA CA C 20 51.312 52.131 -0.819 1
1 249 . 15 1 1 A 20 20 ALA CB C 20 17.883 17.806 0.077 1
1 250 . 15 1 1 A 20 20 ALA N N 20 126.537 121.929 4.608 1
1 251 . 15 1 1 A 21 21 PHE H H 21 7.244 7.463 -0.219 1
1 252 . 15 1 1 A 21 21 PHE HA H 21 5.485 5.651 -0.166 1
1 260 . 15 1 1 A 21 21 PHE C C 21 173.639 172.905 0.734 1
1 261 . 15 1 1 A 21 21 PHE CA C 21 55.312 55.778 -0.466 1
1 262 . 15 1 1 A 21 21 PHE CB C 21 41.581 42.455 -0.874 1
1 268 . 15 1 1 A 21 21 PHE N N 21 115.447 114.688 0.759 1
1 269 . 15 1 1 A 22 22 THR H H 22 9.203 9.126 0.077 1
1 270 . 15 1 1 A 22 22 THR HA H 22 4.583 5.114 -0.531 1
1 275 . 15 1 1 A 22 22 THR C C 22 171.987 173.788 -1.801 1
1 276 . 15 1 1 A 22 22 THR CA C 22 62.368 61.403 0.965 1
1 277 . 15 1 1 A 22 22 THR CB C 22 72.961 71.513 1.448 1
1 279 . 15 1 1 A 22 22 THR N N 22 119.035 114.664 4.371 1
1 280 . 15 1 1 A 23 23 ILE H H 23 9.318 9.215 0.103 1
1 281 . 15 1 1 A 23 23 ILE HA H 23 5.172 5.399 -0.227 1
1 291 . 15 1 1 A 23 23 ILE C C 23 173.969 175.414 -1.445 1
1 292 . 15 1 1 A 23 23 ILE CA C 23 59.958 59.837 0.121 1
1 293 . 15 1 1 A 23 23 ILE CB C 23 40.273 39.257 1.016 1
1 297 . 15 1 1 A 23 23 ILE N N 23 127.452 127.577 -0.125 1
1 298 . 15 1 1 A 24 24 LEU H H 24 9.522 9.605 -0.083 1
1 299 . 15 1 1 A 24 24 LEU HA H 24 4.871 5.129 -0.258 1
1 309 . 15 1 1 A 24 24 LEU C C 24 172.823 175.172 -2.349 1
1 310 . 15 1 1 A 24 24 LEU CA C 24 53.100 53.023 0.077 1
1 311 . 15 1 1 A 24 24 LEU CB C 24 44.522 44.117 0.405 1
1 315 . 15 1 1 A 24 24 LEU N N 24 127.148 127.661 -0.513 1
1 316 . 15 1 1 A 25 25 ASP H H 25 8.325 8.762 -0.437 1
1 317 . 15 1 1 A 25 25 ASP HA H 25 4.112 4.137 -0.025 1
1 320 . 15 1 1 A 25 25 ASP C C 25 177.457 176.740 0.717 1
1 321 . 15 1 1 A 25 25 ASP CA C 25 51.097 52.534 -1.437 1
1 322 . 15 1 1 A 25 25 ASP CB C 25 43.056 40.567 2.489 1
1 323 . 15 1 1 A 25 25 ASP N N 25 122.856 123.898 -1.042 1
1 324 . 15 1 1 A 26 26 VAL H H 26 7.924 7.890 0.034 1
1 325 . 15 1 1 A 26 26 VAL HA H 26 4.964 4.467 0.497 1
1 333 . 15 1 1 A 26 26 VAL C C 26 176.585 176.955 -0.370 1
1 334 . 15 1 1 A 26 26 VAL CA C 26 59.554 61.896 -2.342 1
1 335 . 15 1 1 A 26 26 VAL CB C 26 30.002 31.763 -1.761 1
1 338 . 15 1 1 A 26 26 VAL N N 26 117.391 120.647 -3.256 1
1 339 . 15 1 1 A 27 27 ARG H H 27 7.773 7.295 0.478 1
1 340 . 15 1 1 A 27 27 ARG HA H 27 4.418 4.373 0.045 1
1 352 . 15 1 1 A 27 27 ARG C C 27 173.931 175.926 -1.995 1
1 353 . 15 1 1 A 27 27 ARG CA C 27 55.487 58.233 -2.746 1
1 354 . 15 1 1 A 27 27 ARG CB C 27 30.337 30.874 -0.537 1
1 357 . 15 1 1 A 27 27 ARG N N 27 121.126 120.592 0.534 1
1 361 . 15 1 1 A 28 28 ASP H H 28 7.792 7.728 0.064 1
1 362 . 15 1 1 A 28 28 ASP HA H 28 4.431 4.792 -0.361 1
1 365 . 15 1 1 A 28 28 ASP C C 28 176.402 175.820 0.582 1
1 366 . 15 1 1 A 28 28 ASP CA C 28 54.427 53.701 0.726 1
1 367 . 15 1 1 A 28 28 ASP CB C 28 41.498 43.634 -2.136 1
1 368 . 15 1 1 A 28 28 ASP N N 28 115.368 114.506 0.862 1
1 369 . 15 1 1 A 29 29 ARG H H 29 8.781 8.713 0.068 1
1 370 . 15 1 1 A 29 29 ARG HA H 29 3.853 3.890 -0.037 1
1 378 . 15 1 1 A 29 29 ARG C C 29 177.811 177.845 -0.034 1
1 379 . 15 1 1 A 29 29 ARG CA C 29 58.920 59.408 -0.488 1
1 380 . 15 1 1 A 29 29 ARG CB C 29 29.762 29.856 -0.094 1
1 383 . 15 1 1 A 29 29 ARG N N 29 121.538 125.560 -4.022 1
1 385 . 15 1 1 A 30 30 SER H H 30 8.478 8.437 0.041 1
1 386 . 15 1 1 A 30 30 SER HA H 30 4.190 4.230 -0.040 1
1 389 . 15 1 1 A 30 30 SER C C 30 176.814 177.395 -0.581 1
1 390 . 15 1 1 A 30 30 SER CA C 30 61.929 61.193 0.736 1
1 391 . 15 1 1 A 30 30 SER CB C 30 62.051 62.373 -0.322 1
1 392 . 15 1 1 A 30 30 SER N N 30 113.937 115.544 -1.607 1
1 393 . 15 1 1 A 31 31 THR H H 31 7.724 8.109 -0.385 1
1 394 . 15 1 1 A 31 31 THR HA H 31 4.096 3.898 0.198 1
1 399 . 15 1 1 A 31 31 THR C C 31 176.940 176.197 0.743 1
1 400 . 15 1 1 A 31 31 THR CA C 31 66.078 66.649 -0.571 1
1 401 . 15 1 1 A 31 31 THR CB C 31 67.583 68.417 -0.834 1
1 403 . 15 1 1 A 31 31 THR N N 31 120.025 117.161 2.864 1
1 404 . 15 1 1 A 32 32 TYR H H 32 8.186 8.578 -0.392 1
1 405 . 15 1 1 A 32 32 TYR HA H 32 4.009 4.341 -0.332 1
1 410 . 15 1 1 A 32 32 TYR C C 32 180.166 177.284 2.882 1
1 411 . 15 1 1 A 32 32 TYR CA C 32 61.797 62.315 -0.518 1
1 412 . 15 1 1 A 32 32 TYR CB C 32 37.300 38.605 -1.305 1
1 415 . 15 1 1 A 32 32 TYR N N 32 123.636 122.347 1.289 1
1 416 . 15 1 1 A 33 33 ASN H H 33 8.838 8.133 0.705 1
1 417 . 15 1 1 A 33 33 ASN HA H 33 4.435 4.360 0.075 1
1 422 . 15 1 1 A 33 33 ASN C C 33 176.730 177.533 -0.803 1
1 423 . 15 1 1 A 33 33 ASN CA C 33 55.167 56.304 -1.137 1
1 424 . 15 1 1 A 33 33 ASN CB C 33 37.308 37.695 -0.387 1
1 425 . 15 1 1 A 33 33 ASN N N 33 122.000 118.305 3.695 1
1 427 . 15 1 1 A 34 34 ASP H H 34 7.510 8.094 -0.584 1
1 428 . 15 1 1 A 34 34 ASP HA H 34 4.587 4.472 0.115 1
1 431 . 15 1 1 A 34 34 ASP C C 34 177.045 176.728 0.317 1
1 432 . 15 1 1 A 34 34 ASP CA C 34 56.487 56.394 0.093 1
1 433 . 15 1 1 A 34 34 ASP CB C 34 40.822 41.316 -0.494 1
1 434 . 15 1 1 A 34 34 ASP N N 34 119.832 118.565 1.267 1
1 435 . 15 1 1 A 35 35 GLY H H 35 7.412 7.482 -0.070 1
1 436 . 15 1 1 A 35 35 GLY HA2 H 35 3.997 4.033 -0.036 1
1 437 . 15 1 1 A 35 35 GLY HA3 H 35 3.997 4.091 -0.094 1
1 438 . 15 1 1 A 35 35 GLY C C 35 171.246 171.985 -0.739 1
1 439 . 15 1 1 A 35 35 GLY CA C 35 46.441 45.604 0.837 1
1 440 . 15 1 1 A 35 35 GLY N N 35 106.611 105.433 1.178 1
1 441 . 15 1 1 A 36 36 HIS H H 36 8.441 9.032 -0.591 1
1 442 . 15 1 1 A 36 36 HIS HA H 36 4.782 5.846 -1.064 1
1 447 . 15 1 1 A 36 36 HIS C C 36 172.800 174.185 -1.385 1
1 448 . 15 1 1 A 36 36 HIS CA C 36 53.425 53.394 0.031 1
1 449 . 15 1 1 A 36 36 HIS CB C 36 31.978 32.984 -1.006 1
1 452 . 15 1 1 A 36 36 HIS N N 36 117.929 120.848 -2.919 1
1 455 . 15 1 1 A 37 37 ILE H H 37 8.087 8.654 -0.567 1
1 456 . 15 1 1 A 37 37 ILE HA H 37 3.223 3.623 -0.400 1
1 466 . 15 1 1 A 37 37 ILE C C 37 175.423 176.409 -0.986 1
1 467 . 15 1 1 A 37 37 ILE CA C 37 64.607 61.984 2.623 1
1 468 . 15 1 1 A 37 37 ILE CB C 37 37.269 37.432 -0.163 1
1 472 . 15 1 1 A 37 37 ILE N N 37 120.831 121.543 -0.712 1
1 473 . 15 1 1 A 38 38 MET H H 38 7.625 8.475 -0.850 1
1 474 . 15 1 1 A 38 38 MET HA H 38 3.953 4.458 -0.505 1
1 482 . 15 1 1 A 38 38 MET C C 38 174.632 177.086 -2.454 1
1 483 . 15 1 1 A 38 38 MET CA C 38 57.865 56.799 1.066 1
1 484 . 15 1 1 A 38 38 MET CB C 38 32.882 32.227 0.655 1
1 487 . 15 1 1 A 38 38 MET N N 38 128.683 125.733 2.950 1
1 488 . 15 1 1 A 39 39 GLY H H 39 8.795 8.616 0.179 1
1 489 . 15 1 1 A 39 39 GLY HA2 H 39 3.727 3.971 -0.244 1
1 490 . 15 1 1 A 39 39 GLY HA3 H 39 4.345 4.001 0.344 1
1 491 . 15 1 1 A 39 39 GLY C C 39 175.442 174.808 0.634 1
1 492 . 15 1 1 A 39 39 GLY CA C 39 44.964 45.521 -0.557 1
1 493 . 15 1 1 A 39 39 GLY N N 39 113.814 114.027 -0.213 1
1 494 . 15 1 1 A 40 40 ALA H H 40 8.566 7.944 0.622 1
1 495 . 15 1 1 A 40 40 ALA HA H 40 4.656 4.691 -0.035 1
1 499 . 15 1 1 A 40 40 ALA C C 40 177.459 176.238 1.221 1
1 500 . 15 1 1 A 40 40 ALA CA C 40 52.139 51.740 0.399 1
1 501 . 15 1 1 A 40 40 ALA CB C 40 20.657 20.974 -0.317 1
1 502 . 15 1 1 A 40 40 ALA N N 40 122.444 123.777 -1.333 1
1 503 . 15 1 1 A 41 41 MET H H 41 9.268 9.041 0.227 1
1 504 . 15 1 1 A 41 41 MET HA H 41 4.478 5.024 -0.546 1
1 512 . 15 1 1 A 41 41 MET C C 41 174.328 175.159 -0.831 1
1 513 . 15 1 1 A 41 41 MET CA C 41 54.330 53.904 0.426 1
1 514 . 15 1 1 A 41 41 MET CB C 41 34.473 34.598 -0.125 1
1 517 . 15 1 1 A 41 41 MET N N 41 123.908 119.032 4.876 1
1 518 . 15 1 1 A 42 42 ALA H H 42 8.162 8.292 -0.130 1
1 519 . 15 1 1 A 42 42 ALA HA H 42 3.870 3.602 0.268 1
1 523 . 15 1 1 A 42 42 ALA C C 42 177.157 175.913 1.244 1
1 524 . 15 1 1 A 42 42 ALA CA C 42 51.888 51.292 0.596 1
1 525 . 15 1 1 A 42 42 ALA CB C 42 16.282 16.745 -0.463 1
1 526 . 15 1 1 A 42 42 ALA N N 42 126.936 125.493 1.443 1
1 527 . 15 1 1 A 43 43 MET H H 43 8.109 8.077 0.032 1
1 528 . 15 1 1 A 43 43 MET HA H 43 4.386 4.926 -0.540 1
1 536 . 15 1 1 A 43 43 MET C C 43 168.952 173.569 -4.617 1
1 537 . 15 1 1 A 43 43 MET CA C 43 53.535 52.429 1.106 1
1 538 . 15 1 1 A 43 43 MET CB C 43 34.346 33.129 1.217 1
1 541 . 15 1 1 A 43 43 MET N N 43 125.282 121.801 3.481 1
1 542 . 15 1 1 A 44 44 PRO HA H 44 3.949 4.636 -0.687 1
1 549 . 15 1 1 A 44 44 PRO C C 44 179.070 177.840 1.230 1
1 550 . 15 1 1 A 44 44 PRO CA C 44 62.524 62.466 0.058 1
1 551 . 15 1 1 A 44 44 PRO CB C 44 32.611 32.435 0.176 1
1 554 . 15 1 1 A 45 45 ILE H H 45 7.764 8.810 -1.046 1
1 555 . 15 1 1 A 45 45 ILE HA H 45 3.851 3.918 -0.067 1
1 565 . 15 1 1 A 45 45 ILE C C 45 175.827 177.716 -1.889 1
1 566 . 15 1 1 A 45 45 ILE CA C 45 64.676 63.381 1.295 1
1 567 . 15 1 1 A 45 45 ILE CB C 45 38.991 38.028 0.963 1
1 571 . 15 1 1 A 45 45 ILE N N 45 121.655 124.596 -2.941 1
1 572 . 15 1 1 A 46 46 GLU H H 46 9.102 8.188 0.914 1
1 573 . 15 1 1 A 46 46 GLU HA H 46 4.056 4.050 0.006 1
1 578 . 15 1 1 A 46 46 GLU C C 46 176.499 177.704 -1.205 1
1 579 . 15 1 1 A 46 46 GLU CA C 46 59.349 59.499 -0.150 1
1 580 . 15 1 1 A 46 46 GLU CB C 46 28.456 29.455 -0.999 1
1 582 . 15 1 1 A 46 46 GLU N N 46 121.004 122.068 -1.064 1
1 583 . 15 1 1 A 47 47 ASP H H 47 7.729 7.772 -0.043 1
1 584 . 15 1 1 A 47 47 ASP HA H 47 5.059 4.779 0.280 1
1 587 . 15 1 1 A 47 47 ASP C C 47 175.683 176.512 -0.829 1
1 588 . 15 1 1 A 47 47 ASP CA C 47 53.266 54.127 -0.861 1
1 589 . 15 1 1 A 47 47 ASP CB C 47 42.048 41.812 0.236 1
1 590 . 15 1 1 A 47 47 ASP N N 47 117.171 116.357 0.814 1
1 591 . 15 1 1 A 48 48 LEU H H 48 7.193 7.617 -0.424 1
1 592 . 15 1 1 A 48 48 LEU HA H 48 3.690 3.878 -0.188 1
1 602 . 15 1 1 A 48 48 LEU C C 48 176.829 178.308 -1.479 1
1 603 . 15 1 1 A 48 48 LEU CA C 48 58.905 58.939 -0.034 1
1 604 . 15 1 1 A 48 48 LEU CB C 48 43.334 41.880 1.454 1
1 608 . 15 1 1 A 48 48 LEU N N 48 121.314 121.610 -0.296 1
1 609 . 15 1 1 A 49 49 VAL H H 49 8.507 7.948 0.559 1
1 610 . 15 1 1 A 49 49 VAL HA H 49 3.290 3.543 -0.253 1
1 618 . 15 1 1 A 49 49 VAL C C 49 178.915 177.244 1.671 1
1 619 . 15 1 1 A 49 49 VAL CA C 49 67.886 67.049 0.837 1
1 620 . 15 1 1 A 49 49 VAL CB C 49 30.881 31.662 -0.781 1
1 623 . 15 1 1 A 49 49 VAL N N 49 116.698 119.254 -2.556 1
1 624 . 15 1 1 A 50 50 ASP H H 50 8.474 8.241 0.233 1
1 625 . 15 1 1 A 50 50 ASP HA H 50 4.396 4.413 -0.017 1
1 628 . 15 1 1 A 50 50 ASP C C 50 178.890 179.460 -0.570 1
1 629 . 15 1 1 A 50 50 ASP CA C 50 57.477 57.398 0.079 1
1 630 . 15 1 1 A 50 50 ASP CB C 50 40.945 40.136 0.809 1
1 631 . 15 1 1 A 50 50 ASP N N 50 121.526 119.610 1.916 1
1 632 . 15 1 1 A 51 51 ARG H H 51 8.334 8.082 0.252 1
1 633 . 15 1 1 A 51 51 ARG HA H 51 4.079 4.099 -0.020 1
1 641 . 15 1 1 A 51 51 ARG C C 51 179.634 178.869 0.765 1
1 642 . 15 1 1 A 51 51 ARG CA C 51 58.378 59.087 -0.709 1
1 643 . 15 1 1 A 51 51 ARG CB C 51 29.692 30.453 -0.761 1
1 646 . 15 1 1 A 51 51 ARG N N 51 118.666 119.507 -0.841 1
1 648 . 15 1 1 A 52 52 ALA H H 52 9.250 8.471 0.779 1
1 649 . 15 1 1 A 52 52 ALA HA H 52 3.752 4.051 -0.299 1
1 653 . 15 1 1 A 52 52 ALA C C 52 179.710 180.023 -0.313 1
1 654 . 15 1 1 A 52 52 ALA CA C 52 55.830 55.181 0.649 1
1 655 . 15 1 1 A 52 52 ALA CB C 52 18.164 18.368 -0.204 1
1 656 . 15 1 1 A 52 52 ALA N N 52 124.004 122.434 1.570 1
1 657 . 15 1 1 A 53 53 SER H H 53 8.392 8.351 0.041 1
1 658 . 15 1 1 A 53 53 SER HA H 53 4.457 4.449 0.008 1
1 661 . 15 1 1 A 53 53 SER C C 53 175.807 176.786 -0.979 1
1 662 . 15 1 1 A 53 53 SER CA C 53 62.214 61.538 0.676 1
1 663 . 15 1 1 A 53 53 SER CB C 53 62.805 62.881 -0.076 1
1 664 . 15 1 1 A 53 53 SER N N 53 111.154 113.842 -2.688 1
1 665 . 15 1 1 A 54 54 SER H H 54 7.570 7.874 -0.304 1
1 666 . 15 1 1 A 54 54 SER HA H 54 4.512 4.188 0.324 1
1 669 . 15 1 1 A 54 54 SER C C 54 175.210 176.072 -0.862 1
1 670 . 15 1 1 A 54 54 SER CA C 54 59.567 61.428 -1.861 1
1 671 . 15 1 1 A 54 54 SER CB C 54 63.902 63.141 0.761 1
1 672 . 15 1 1 A 54 54 SER N N 54 112.745 117.357 -4.612 1
1 673 . 15 1 1 A 55 55 SER H H 55 7.501 7.647 -0.146 1
1 674 . 15 1 1 A 55 55 SER HA H 55 4.744 4.552 0.192 1
1 677 . 15 1 1 A 55 55 SER C C 55 173.106 174.288 -1.182 1
1 678 . 15 1 1 A 55 55 SER CA C 55 59.905 59.614 0.291 1
1 679 . 15 1 1 A 55 55 SER CB C 55 65.881 65.405 0.476 1
1 680 . 15 1 1 A 55 55 SER N N 55 113.238 114.084 -0.846 1
1 681 . 15 1 1 A 56 56 LEU H H 56 8.320 8.011 0.309 1
1 682 . 15 1 1 A 56 56 LEU HA H 56 4.823 4.379 0.444 1
1 692 . 15 1 1 A 56 56 LEU C C 56 175.441 177.502 -2.061 1
1 693 . 15 1 1 A 56 56 LEU CA C 56 53.476 54.373 -0.897 1
1 694 . 15 1 1 A 56 56 LEU CB C 56 44.655 42.790 1.865 1
1 698 . 15 1 1 A 56 56 LEU N N 56 122.043 119.174 2.869 1
1 699 . 15 1 1 A 57 57 GLU H H 57 8.510 8.901 -0.391 1
1 700 . 15 1 1 A 57 57 GLU HA H 57 4.334 4.565 -0.231 1
1 705 . 15 1 1 A 57 57 GLU C C 57 177.869 176.893 0.976 1
1 706 . 15 1 1 A 57 57 GLU CA C 57 55.911 55.871 0.040 1
1 707 . 15 1 1 A 57 57 GLU CB C 57 30.193 30.865 -0.672 1
1 709 . 15 1 1 A 57 57 GLU N N 57 121.479 121.363 0.116 1
1 710 . 15 1 1 A 58 58 LYS H H 58 8.513 8.855 -0.342 1
1 711 . 15 1 1 A 58 58 LYS HA H 58 3.811 4.643 -0.832 1
1 720 . 15 1 1 A 58 58 LYS C C 58 178.345 177.217 1.128 1
1 721 . 15 1 1 A 58 58 LYS CA C 58 58.526 57.025 1.501 1
1 722 . 15 1 1 A 58 58 LYS CB C 58 31.265 32.921 -1.656 1
1 726 . 15 1 1 A 58 58 LYS N N 58 120.689 122.661 -1.972 1
1 727 . 15 1 1 A 59 59 SER H H 59 7.912 7.594 0.318 1
1 728 . 15 1 1 A 59 59 SER HA H 59 4.437 4.528 -0.091 1
1 731 . 15 1 1 A 59 59 SER C C 59 174.216 174.189 0.027 1
1 732 . 15 1 1 A 59 59 SER CA C 59 57.862 58.407 -0.545 1
1 733 . 15 1 1 A 59 59 SER CB C 59 63.682 63.608 0.074 1
1 734 . 15 1 1 A 59 59 SER N N 59 111.530 113.357 -1.827 1
1 735 . 15 1 1 A 60 60 ARG H H 60 7.477 7.749 -0.272 1
1 736 . 15 1 1 A 60 60 ARG HA H 60 4.199 4.225 -0.026 1
1 744 . 15 1 1 A 60 60 ARG C C 60 174.880 175.878 -0.998 1
1 745 . 15 1 1 A 60 60 ARG CA C 60 55.828 56.196 -0.368 1
1 746 . 15 1 1 A 60 60 ARG CB C 60 31.971 30.697 1.274 1
1 749 . 15 1 1 A 60 60 ARG N N 60 125.535 121.971 3.564 1
1 751 . 15 1 1 A 61 61 ASP H H 61 8.540 8.593 -0.053 1
1 752 . 15 1 1 A 61 61 ASP HA H 61 4.903 4.887 0.016 1
1 755 . 15 1 1 A 61 61 ASP C C 61 175.569 175.481 0.088 1
1 756 . 15 1 1 A 61 61 ASP CA C 61 55.438 54.469 0.969 1
1 757 . 15 1 1 A 61 61 ASP CB C 61 40.847 40.106 0.741 1
1 758 . 15 1 1 A 61 61 ASP N N 61 126.761 125.249 1.512 1
1 759 . 15 1 1 A 62 62 ILE H H 62 8.630 9.066 -0.436 1
1 760 . 15 1 1 A 62 62 ILE HA H 62 5.038 4.921 0.117 1
1 770 . 15 1 1 A 62 62 ILE C C 62 174.444 174.728 -0.284 1
1 771 . 15 1 1 A 62 62 ILE CA C 62 59.799 60.112 -0.313 1
1 772 . 15 1 1 A 62 62 ILE CB C 62 42.130 38.377 3.753 1
1 776 . 15 1 1 A 62 62 ILE N N 62 125.212 125.612 -0.400 1
1 777 . 15 1 1 A 63 63 TYR H H 63 9.026 9.395 -0.369 1
1 778 . 15 1 1 A 63 63 TYR HA H 63 5.230 5.328 -0.098 1
1 785 . 15 1 1 A 63 63 TYR C C 63 175.088 174.781 0.307 1
1 786 . 15 1 1 A 63 63 TYR CA C 63 56.143 57.220 -1.077 1
1 787 . 15 1 1 A 63 63 TYR CB C 63 41.302 40.261 1.041 1
1 792 . 15 1 1 A 63 63 TYR N N 63 125.467 126.514 -1.047 1
1 793 . 15 1 1 A 64 64 VAL H H 64 8.523 9.063 -0.540 1
1 794 . 15 1 1 A 64 64 VAL HA H 64 5.106 4.787 0.319 1
1 802 . 15 1 1 A 64 64 VAL C C 64 174.072 175.236 -1.164 1
1 803 . 15 1 1 A 64 64 VAL CA C 64 60.302 61.743 -1.441 1
1 804 . 15 1 1 A 64 64 VAL CB C 64 35.121 33.244 1.877 1
1 807 . 15 1 1 A 64 64 VAL N N 64 121.014 123.392 -2.378 1
1 808 . 15 1 1 A 65 65 TYR H H 65 8.832 8.946 -0.114 1
1 809 . 15 1 1 A 65 65 TYR HA H 65 5.289 5.735 -0.446 1
1 816 . 15 1 1 A 65 65 TYR C C 65 172.116 173.428 -1.312 1
1 817 . 15 1 1 A 65 65 TYR CA C 65 56.777 55.171 1.606 1
1 818 . 15 1 1 A 65 65 TYR CB C 65 42.528 41.919 0.609 1
1 819 . 15 1 1 A 65 65 TYR N N 65 120.331 122.679 -2.348 1
1 820 . 15 1 1 A 66 66 GLY H H 66 8.278 9.054 -0.776 1
1 821 . 15 1 1 A 66 66 GLY HA2 H 66 3.449 4.116 -0.667 1
1 822 . 15 1 1 A 66 66 GLY HA3 H 66 4.408 4.217 0.191 1
1 823 . 15 1 1 A 66 66 GLY C C 66 173.636 174.756 -1.120 1
1 824 . 15 1 1 A 66 66 GLY CA C 66 43.793 43.900 -0.107 1
1 825 . 15 1 1 A 66 66 GLY N N 66 108.458 109.206 -0.748 1
1 826 . 15 1 1 A 67 67 ALA H H 67 9.485 8.811 0.674 1
1 827 . 15 1 1 A 67 67 ALA HA H 67 4.331 4.176 0.155 1
1 831 . 15 1 1 A 67 67 ALA C C 67 176.363 177.286 -0.923 1
1 832 . 15 1 1 A 67 67 ALA CA C 67 52.848 54.231 -1.383 1
1 833 . 15 1 1 A 67 67 ALA CB C 67 18.178 19.421 -1.243 1
1 834 . 15 1 1 A 67 67 ALA N N 67 126.325 121.360 4.965 1
1 835 . 15 1 1 A 68 68 GLY H H 68 7.553 7.776 -0.223 1
1 836 . 15 1 1 A 68 68 GLY HA2 H 68 4.270 4.134 0.136 1
1 837 . 15 1 1 A 68 68 GLY HA3 H 68 4.209 4.146 0.063 1
1 838 . 15 1 1 A 68 68 GLY C C 68 173.695 174.737 -1.042 1
1 839 . 15 1 1 A 68 68 GLY CA C 68 44.112 44.400 -0.288 1
1 840 . 15 1 1 A 68 68 GLY N N 68 106.057 105.154 0.903 1
1 841 . 15 1 1 A 69 69 ASP H H 69 8.904 9.284 -0.380 1
1 842 . 15 1 1 A 69 69 ASP HA H 69 4.408 4.281 0.127 1
1 845 . 15 1 1 A 69 69 ASP C C 69 178.531 178.344 0.187 1
1 846 . 15 1 1 A 69 69 ASP CA C 69 57.592 57.122 0.470 1
1 847 . 15 1 1 A 69 69 ASP CB C 69 40.198 40.110 0.088 1
1 848 . 15 1 1 A 69 69 ASP N N 69 121.078 120.534 0.544 1
1 849 . 15 1 1 A 70 70 GLU H H 70 8.905 8.383 0.522 1
1 850 . 15 1 1 A 70 70 GLU HA H 70 4.110 4.037 0.073 1
1 855 . 15 1 1 A 70 70 GLU C C 70 178.745 178.726 0.019 1
1 856 . 15 1 1 A 70 70 GLU CA C 70 59.956 59.578 0.378 1
1 857 . 15 1 1 A 70 70 GLU CB C 70 28.534 29.093 -0.559 1
1 859 . 15 1 1 A 70 70 GLU N N 70 120.998 119.759 1.239 1
1 860 . 15 1 1 A 71 71 GLN H H 71 8.453 7.734 0.719 1
1 861 . 15 1 1 A 71 71 GLN HA H 71 4.106 4.056 0.050 1
1 868 . 15 1 1 A 71 71 GLN C C 71 178.164 178.610 -0.446 1
1 869 . 15 1 1 A 71 71 GLN CA C 71 59.350 58.654 0.696 1
1 870 . 15 1 1 A 71 71 GLN CB C 71 29.682 28.311 1.371 1
1 872 . 15 1 1 A 71 71 GLN N N 71 121.273 118.801 2.472 1
1 874 . 15 1 1 A 72 72 THR H H 72 8.267 8.112 0.155 1
1 875 . 15 1 1 A 72 72 THR HA H 72 3.524 3.868 -0.344 1
1 880 . 15 1 1 A 72 72 THR C C 72 175.546 176.147 -0.601 1
1 881 . 15 1 1 A 72 72 THR CA C 72 67.395 66.525 0.870 1
1 882 . 15 1 1 A 72 72 THR CB C 72 68.145 68.633 -0.488 1
1 884 . 15 1 1 A 72 72 THR N N 72 115.641 116.925 -1.284 1
1 885 . 15 1 1 A 73 73 SER H H 73 8.265 8.434 -0.169 1
1 886 . 15 1 1 A 73 73 SER HA H 73 4.029 4.077 -0.048 1
1 889 . 15 1 1 A 73 73 SER C C 73 176.825 177.485 -0.660 1
1 890 . 15 1 1 A 73 73 SER CA C 73 61.746 61.447 0.299 1
1 891 . 15 1 1 A 73 73 SER CB C 73 62.746 62.913 -0.167 1
1 892 . 15 1 1 A 73 73 SER N N 73 115.814 115.161 0.653 1
1 893 . 15 1 1 A 74 74 GLN H H 74 8.119 8.424 -0.305 1
1 894 . 15 1 1 A 74 74 GLN HA H 74 4.090 3.979 0.111 1
1 901 . 15 1 1 A 74 74 GLN C C 74 178.630 177.877 0.753 1
1 902 . 15 1 1 A 74 74 GLN CA C 74 58.903 58.218 0.685 1
1 903 . 15 1 1 A 74 74 GLN CB C 74 27.943 28.866 -0.923 1
1 905 . 15 1 1 A 74 74 GLN N N 74 121.446 120.424 1.022 1
1 907 . 15 1 1 A 75 75 ALA H H 75 8.210 7.899 0.311 1
1 908 . 15 1 1 A 75 75 ALA HA H 75 3.879 4.047 -0.168 1
1 912 . 15 1 1 A 75 75 ALA C C 75 178.843 179.812 -0.969 1
1 913 . 15 1 1 A 75 75 ALA CA C 75 54.959 55.171 -0.212 1
1 914 . 15 1 1 A 75 75 ALA CB C 75 20.226 18.264 1.962 1
1 915 . 15 1 1 A 75 75 ALA N N 75 121.007 121.859 -0.852 1
1 916 . 15 1 1 A 76 76 VAL H H 76 8.257 8.080 0.177 1
1 917 . 15 1 1 A 76 76 VAL HA H 76 3.472 3.454 0.018 1
1 925 . 15 1 1 A 76 76 VAL C C 76 177.639 177.912 -0.273 1
1 926 . 15 1 1 A 76 76 VAL CA C 76 67.080 66.950 0.130 1
1 927 . 15 1 1 A 76 76 VAL CB C 76 30.945 31.503 -0.558 1
1 930 . 15 1 1 A 76 76 VAL N N 76 116.281 119.164 -2.883 1
1 931 . 15 1 1 A 77 77 ASN H H 77 8.190 8.339 -0.149 1
1 932 . 15 1 1 A 77 77 ASN HA H 77 4.430 4.389 0.041 1
1 937 . 15 1 1 A 77 77 ASN C C 77 178.638 177.816 0.822 1
1 938 . 15 1 1 A 77 77 ASN CA C 77 56.666 56.643 0.023 1
1 939 . 15 1 1 A 77 77 ASN CB C 77 37.950 39.352 -1.402 1
1 940 . 15 1 1 A 77 77 ASN N N 77 118.786 118.697 0.089 1
1 942 . 15 1 1 A 78 78 LEU H H 78 8.222 8.167 0.055 1
1 943 . 15 1 1 A 78 78 LEU HA H 78 4.045 4.030 0.015 1
1 953 . 15 1 1 A 78 78 LEU C C 78 180.246 179.845 0.401 1
1 954 . 15 1 1 A 78 78 LEU CA C 78 57.926 58.227 -0.301 1
1 955 . 15 1 1 A 78 78 LEU CB C 78 41.892 41.495 0.397 1
1 959 . 15 1 1 A 78 78 LEU N N 78 121.759 119.921 1.838 1
1 960 . 15 1 1 A 79 79 LEU H H 79 7.887 7.994 -0.107 1
1 961 . 15 1 1 A 79 79 LEU HA H 79 4.051 4.034 0.017 1
1 971 . 15 1 1 A 79 79 LEU C C 79 179.804 179.581 0.223 1
1 972 . 15 1 1 A 79 79 LEU CA C 79 57.788 58.045 -0.257 1
1 973 . 15 1 1 A 79 79 LEU CB C 79 41.616 41.314 0.302 1
1 977 . 15 1 1 A 79 79 LEU N N 79 118.127 119.926 -1.799 1
1 978 . 15 1 1 A 80 80 ARG H H 80 8.942 8.471 0.471 1
1 979 . 15 1 1 A 80 80 ARG HA H 80 4.516 4.483 0.033 1
1 987 . 15 1 1 A 80 80 ARG C C 80 181.546 178.516 3.030 1
1 988 . 15 1 1 A 80 80 ARG CA C 80 60.006 58.730 1.276 1
1 989 . 15 1 1 A 80 80 ARG CB C 80 29.510 29.933 -0.423 1
1 992 . 15 1 1 A 80 80 ARG N N 80 120.974 118.822 2.152 1
1 994 . 15 1 1 A 81 81 SER H H 81 8.394 8.229 0.165 1
1 995 . 15 1 1 A 81 81 SER HA H 81 4.307 4.176 0.131 1
1 998 . 15 1 1 A 81 81 SER C C 81 174.601 176.461 -1.860 1
1 999 . 15 1 1 A 81 81 SER CA C 81 61.570 61.361 0.209 1
1 1000 . 15 1 1 A 81 81 SER CB C 81 62.832 63.184 -0.352 1
1 1001 . 15 1 1 A 81 81 SER N N 81 116.329 115.329 1.000 1
1 1002 . 15 1 1 A 82 82 ALA H H 82 7.507 7.533 -0.026 1
1 1003 . 15 1 1 A 82 82 ALA HA H 82 4.546 4.388 0.158 1
1 1007 . 15 1 1 A 82 82 ALA C C 82 176.449 177.689 -1.240 1
1 1008 . 15 1 1 A 82 82 ALA CA C 82 51.759 52.117 -0.358 1
1 1009 . 15 1 1 A 82 82 ALA CB C 82 18.850 19.394 -0.544 1
1 1010 . 15 1 1 A 82 82 ALA N N 82 122.576 119.498 3.078 1
1 1011 . 15 1 1 A 83 83 GLY H H 83 7.678 7.890 -0.212 1
1 1012 . 15 1 1 A 83 83 GLY HA2 H 83 3.623 3.798 -0.175 1
1 1013 . 15 1 1 A 83 83 GLY HA3 H 83 4.217 3.881 0.336 1
1 1014 . 15 1 1 A 83 83 GLY C C 83 174.557 174.624 -0.067 1
1 1015 . 15 1 1 A 83 83 GLY CA C 83 44.741 44.993 -0.252 1
1 1016 . 15 1 1 A 83 83 GLY N N 83 104.117 106.525 -2.408 1
1 1017 . 15 1 1 A 84 84 PHE H H 84 7.923 7.709 0.214 1
1 1018 . 15 1 1 A 84 84 PHE HA H 84 4.254 4.486 -0.232 1
1 1026 . 15 1 1 A 84 84 PHE C C 84 176.479 176.124 0.355 1
1 1027 . 15 1 1 A 84 84 PHE CA C 84 60.127 58.700 1.427 1
1 1028 . 15 1 1 A 84 84 PHE CB C 84 36.999 38.736 -1.737 1
1 1034 . 15 1 1 A 84 84 PHE N N 84 119.861 119.872 -0.011 1
1 1035 . 15 1 1 A 85 85 GLU H H 85 7.730 8.812 -1.082 1
1 1036 . 15 1 1 A 85 85 GLU HA H 85 3.965 4.201 -0.236 1
1 1041 . 15 1 1 A 85 85 GLU C C 85 176.966 177.078 -0.112 1
1 1042 . 15 1 1 A 85 85 GLU CA C 85 57.841 59.481 -1.640 1
1 1043 . 15 1 1 A 85 85 GLU CB C 85 32.054 30.083 1.971 1
1 1045 . 15 1 1 A 85 85 GLU N N 85 122.200 125.165 -2.965 1
1 1046 . 15 1 1 A 86 86 HIS H H 86 9.957 7.942 2.015 1
1 1047 . 15 1 1 A 86 86 HIS HA H 86 4.988 4.791 0.197 1
1 1052 . 15 1 1 A 86 86 HIS C C 86 171.400 174.361 -2.961 1
1 1053 . 15 1 1 A 86 86 HIS CA C 86 53.063 54.985 -1.922 1
1 1054 . 15 1 1 A 86 86 HIS CB C 86 29.823 28.452 1.371 1
1 1057 . 15 1 1 A 86 86 HIS N N 86 122.245 117.255 4.990 1
1 1060 . 15 1 1 A 87 87 VAL H H 87 8.233 8.831 -0.598 1
1 1061 . 15 1 1 A 87 87 VAL HA H 87 4.934 4.951 -0.017 1
1 1069 . 15 1 1 A 87 87 VAL C C 87 175.510 174.076 1.434 1
1 1070 . 15 1 1 A 87 87 VAL CA C 87 59.972 61.006 -1.034 1
1 1071 . 15 1 1 A 87 87 VAL CB C 87 33.883 34.584 -0.701 1
1 1074 . 15 1 1 A 87 87 VAL N N 87 120.946 124.640 -3.694 1
1 1075 . 15 1 1 A 88 88 SER H H 88 8.968 9.007 -0.039 1
1 1076 . 15 1 1 A 88 88 SER HA H 88 4.869 5.427 -0.558 1
1 1079 . 15 1 1 A 88 88 SER C C 88 174.093 172.920 1.173 1
1 1080 . 15 1 1 A 88 88 SER CA C 88 55.935 56.264 -0.329 1
1 1081 . 15 1 1 A 88 88 SER CB C 88 66.077 64.810 1.267 1
1 1082 . 15 1 1 A 88 88 SER N N 88 121.913 122.329 -0.416 1
1 1083 . 15 1 1 A 89 89 GLU H H 89 8.628 8.839 -0.211 1
1 1084 . 15 1 1 A 89 89 GLU HA H 89 4.233 4.798 -0.565 1
1 1089 . 15 1 1 A 89 89 GLU C C 89 175.212 175.678 -0.466 1
1 1090 . 15 1 1 A 89 89 GLU CA C 89 55.728 55.786 -0.058 1
1 1091 . 15 1 1 A 89 89 GLU CB C 89 31.640 30.502 1.138 1
1 1093 . 15 1 1 A 89 89 GLU N N 89 125.288 123.435 1.853 1
1 1094 . 15 1 1 A 90 90 LEU H H 90 8.727 8.793 -0.066 1
1 1095 . 15 1 1 A 90 90 LEU HA H 90 4.829 4.743 0.086 1
1 1105 . 15 1 1 A 90 90 LEU C C 90 175.893 176.487 -0.594 1
1 1106 . 15 1 1 A 90 90 LEU CA C 90 53.771 55.249 -1.478 1
1 1107 . 15 1 1 A 90 90 LEU CB C 90 41.511 42.837 -1.326 1
1 1111 . 15 1 1 A 90 90 LEU N N 90 125.766 127.054 -1.288 1
1 1112 . 15 1 1 A 91 91 LYS H H 91 8.715 8.924 -0.209 1
1 1113 . 15 1 1 A 91 91 LYS HA H 91 4.164 4.006 0.158 1
1 1122 . 15 1 1 A 91 91 LYS C C 91 177.680 177.419 0.261 1
1 1123 . 15 1 1 A 91 91 LYS CA C 91 57.796 58.414 -0.618 1
1 1124 . 15 1 1 A 91 91 LYS CB C 91 31.705 32.266 -0.561 1
1 1128 . 15 1 1 A 91 91 LYS N N 91 131.405 127.568 3.837 1
1 1129 . 15 1 1 A 92 92 GLY H H 92 9.408 8.563 0.845 1
1 1130 . 15 1 1 A 92 92 GLY HA2 H 92 3.828 3.991 -0.163 1
1 1131 . 15 1 1 A 92 92 GLY HA3 H 92 4.268 3.998 0.270 1
1 1132 . 15 1 1 A 92 92 GLY C C 92 175.634 173.806 1.828 1
1 1133 . 15 1 1 A 92 92 GLY CA C 92 46.001 46.117 -0.116 1
1 1134 . 15 1 1 A 92 92 GLY N N 92 115.262 111.820 3.442 1
1 1135 . 15 1 1 A 93 93 GLY H H 93 7.616 8.031 -0.415 1
1 1136 . 15 1 1 A 93 93 GLY HA2 H 93 3.429 4.237 -0.808 1
1 1137 . 15 1 1 A 93 93 GLY HA3 H 93 4.276 4.279 -0.003 1
1 1138 . 15 1 1 A 93 93 GLY C C 93 172.357 174.783 -2.426 1
1 1139 . 15 1 1 A 93 93 GLY CA C 93 46.436 44.256 2.180 1
1 1140 . 15 1 1 A 93 93 GLY N N 93 106.201 106.565 -0.364 1
1 1141 . 15 1 1 A 94 94 LEU H H 94 8.854 8.855 -0.001 1
1 1142 . 15 1 1 A 94 94 LEU HA H 94 3.643 4.148 -0.505 1
1 1152 . 15 1 1 A 94 94 LEU C C 94 178.092 178.649 -0.557 1
1 1153 . 15 1 1 A 94 94 LEU CA C 94 56.966 57.863 -0.897 1
1 1154 . 15 1 1 A 94 94 LEU CB C 94 41.937 41.818 0.119 1
1 1158 . 15 1 1 A 94 94 LEU N N 94 124.279 124.787 -0.508 1
1 1159 . 15 1 1 A 95 95 ALA H H 95 8.683 8.311 0.372 1
1 1160 . 15 1 1 A 95 95 ALA HA H 95 4.061 4.014 0.047 1
1 1164 . 15 1 1 A 95 95 ALA C C 95 180.877 179.788 1.089 1
1 1165 . 15 1 1 A 95 95 ALA CA C 95 55.406 55.529 -0.123 1
1 1166 . 15 1 1 A 95 95 ALA CB C 95 18.053 17.857 0.196 1
1 1167 . 15 1 1 A 95 95 ALA N N 95 120.253 120.741 -0.488 1
1 1168 . 15 1 1 A 96 96 ALA H H 96 7.249 8.002 -0.753 1
1 1169 . 15 1 1 A 96 96 ALA HA H 96 4.132 4.068 0.064 1
1 1173 . 15 1 1 A 96 96 ALA C C 96 179.350 179.581 -0.231 1
1 1174 . 15 1 1 A 96 96 ALA CA C 96 54.429 54.965 -0.536 1
1 1175 . 15 1 1 A 96 96 ALA CB C 96 18.580 18.244 0.336 1
1 1176 . 15 1 1 A 96 96 ALA N N 96 121.080 119.852 1.228 1
1 1177 . 15 1 1 A 97 97 TRP H H 97 7.636 8.115 -0.479 1
1 1178 . 15 1 1 A 97 97 TRP HA H 97 4.051 4.192 -0.141 1
1 1187 . 15 1 1 A 97 97 TRP C C 97 178.223 178.235 -0.012 1
1 1188 . 15 1 1 A 97 97 TRP CA C 97 59.343 61.602 -2.259 1
1 1189 . 15 1 1 A 97 97 TRP CB C 97 29.734 29.747 -0.013 1
1 1195 . 15 1 1 A 97 97 TRP N N 97 119.015 121.107 -2.092 1
1 1197 . 15 1 1 A 98 98 LYS H H 98 8.764 8.482 0.282 1
1 1198 . 15 1 1 A 98 98 LYS HA H 98 3.886 4.112 -0.226 1
1 1207 . 15 1 1 A 98 98 LYS C C 98 180.503 179.309 1.194 1
1 1208 . 15 1 1 A 98 98 LYS CA C 98 59.365 59.346 0.019 1
1 1209 . 15 1 1 A 98 98 LYS CB C 98 31.899 32.436 -0.537 1
1 1213 . 15 1 1 A 98 98 LYS N N 98 117.855 118.921 -1.066 1
1 1214 . 15 1 1 A 99 99 ALA H H 99 7.802 8.503 -0.701 1
1 1215 . 15 1 1 A 99 99 ALA HA H 99 4.139 4.109 0.030 1
1 1219 . 15 1 1 A 99 99 ALA C C 99 179.188 179.020 0.168 1
1 1220 . 15 1 1 A 99 99 ALA CA C 99 54.521 54.930 -0.409 1
1 1221 . 15 1 1 A 99 99 ALA CB C 99 18.016 18.349 -0.333 1
1 1222 . 15 1 1 A 99 99 ALA N N 99 121.263 121.734 -0.471 1
1 1223 . 15 1 1 A 100 100 ILE H H 100 6.803 7.431 -0.628 1
1 1224 . 15 1 1 A 100 100 ILE HA H 100 4.509 4.101 0.408 1
1 1234 . 15 1 1 A 100 100 ILE C C 100 175.810 176.127 -0.317 1
1 1235 . 15 1 1 A 100 100 ILE CA C 100 59.964 60.596 -0.632 1
1 1236 . 15 1 1 A 100 100 ILE CB C 100 37.866 37.239 0.627 1
1 1240 . 15 1 1 A 100 100 ILE N N 100 107.978 111.195 -3.217 1
1 1241 . 15 1 1 A 101 101 GLY H H 101 7.741 7.915 -0.174 1
1 1242 . 15 1 1 A 101 101 GLY HA2 H 101 3.618 3.904 -0.286 1
1 1243 . 15 1 1 A 101 101 GLY HA3 H 101 3.866 3.917 -0.051 1
1 1244 . 15 1 1 A 101 101 GLY C C 101 175.319 175.205 0.114 1
1 1245 . 15 1 1 A 101 101 GLY CA C 101 45.444 46.301 -0.857 1
1 1246 . 15 1 1 A 101 101 GLY N N 101 109.732 110.660 -0.928 1
1 1247 . 15 1 1 A 102 102 GLY H H 102 7.823 7.952 -0.129 1
1 1248 . 15 1 1 A 102 102 GLY HA2 H 102 2.942 3.110 -0.168 1
1 1249 . 15 1 1 A 102 102 GLY HA3 H 102 2.942 3.670 -0.728 1
1 1250 . 15 1 1 A 102 102 GLY C C 102 171.578 172.968 -1.390 1
1 1251 . 15 1 1 A 102 102 GLY CA C 102 41.964 44.350 -2.386 1
1 1252 . 15 1 1 A 102 102 GLY N N 102 108.608 107.646 0.962 1
1 1253 . 15 1 1 A 103 103 PRO HA H 103 4.643 4.836 -0.193 1
1 1260 . 15 1 1 A 103 103 PRO C C 103 178.778 176.825 1.953 1
1 1261 . 15 1 1 A 103 103 PRO CA C 103 62.843 62.908 -0.065 1
1 1262 . 15 1 1 A 103 103 PRO CB C 103 32.263 31.809 0.454 1
1 1265 . 15 1 1 A 104 104 THR H H 104 8.760 8.639 0.121 1
1 1266 . 15 1 1 A 104 104 THR HA H 104 5.017 5.182 -0.165 1
1 1271 . 15 1 1 A 104 104 THR C C 104 172.498 172.945 -0.447 1
1 1272 . 15 1 1 A 104 104 THR CA C 104 59.729 59.627 0.102 1
1 1273 . 15 1 1 A 104 104 THR CB C 104 72.479 72.544 -0.065 1
1 1275 . 15 1 1 A 104 104 THR N N 104 116.086 112.751 3.335 1
1 1276 . 15 1 1 A 105 105 GLU H H 105 8.267 8.787 -0.520 1
1 1277 . 15 1 1 A 105 105 GLU HA H 105 4.499 4.828 -0.329 1
1 1282 . 15 1 1 A 105 105 GLU C C 105 173.848 175.000 -1.152 1
1 1283 . 15 1 1 A 105 105 GLU CA C 105 54.647 54.857 -0.210 1
1 1284 . 15 1 1 A 105 105 GLU CB C 105 34.227 32.553 1.674 1
1 1286 . 15 1 1 A 105 105 GLU N N 105 117.663 119.565 -1.902 1
1 1287 . 15 1 1 A 106 106 GLY H H 106 8.207 8.389 -0.182 1
1 1288 . 15 1 1 A 106 106 GLY HA2 H 106 3.873 4.150 -0.277 1
1 1289 . 15 1 1 A 106 106 GLY HA3 H 106 3.873 4.182 -0.309 1
1 1290 . 15 1 1 A 106 106 GLY C C 106 173.052 174.698 -1.646 1
1 1291 . 15 1 1 A 106 106 GLY CA C 106 44.313 45.049 -0.736 1
1 1292 . 15 1 1 A 106 106 GLY N N 106 108.896 108.430 0.466 1
1 1293 . 15 1 1 A 107 107 ILE H H 107 8.333 9.291 -0.958 1
1 1294 . 15 1 1 A 107 107 ILE HA H 107 4.110 3.793 0.317 1
1 1304 . 15 1 1 A 107 107 ILE C C 107 176.773 177.520 -0.747 1
1 1305 . 15 1 1 A 107 107 ILE CA C 107 62.404 64.557 -2.153 1
1 1306 . 15 1 1 A 107 107 ILE CB C 107 38.826 37.876 0.950 1
1 1310 . 15 1 1 A 107 107 ILE N N 107 119.410 122.399 -2.989 1
1 1311 . 15 1 1 A 108 108 ILE H H 108 8.369 8.086 0.283 1
1 1312 . 15 1 1 A 108 108 ILE HA H 108 4.167 3.790 0.377 1
1 1322 . 15 1 1 A 108 108 ILE C C 108 176.821 178.059 -1.238 1
1 1323 . 15 1 1 A 108 108 ILE CA C 108 61.060 64.319 -3.259 1
1 1324 . 15 1 1 A 108 108 ILE CB C 108 37.984 37.096 0.888 1
1 1328 . 15 1 1 A 108 108 ILE N N 108 122.390 120.348 2.042 1
1 1329 . 15 1 1 A 109 109 GLU H H 109 8.127 8.774 -0.647 1
1 1330 . 15 1 1 A 109 109 GLU HA H 109 4.218 3.994 0.224 1
1 1335 . 15 1 1 A 109 109 GLU C C 109 176.438 178.896 -2.458 1
1 1336 . 15 1 1 A 109 109 GLU CA C 109 56.548 59.821 -3.273 1
1 1337 . 15 1 1 A 109 109 GLU CB C 109 30.178 29.293 0.885 1
1 1339 . 15 1 1 A 109 109 GLU N N 109 123.739 121.835 1.904 1
1 1340 . 15 1 1 A 110 110 SER H H 110 8.291 7.951 0.340 1
1 1341 . 15 1 1 A 110 110 SER HA H 110 4.446 4.336 0.110 1
1 1344 . 15 1 1 A 110 110 SER C C 110 174.330 174.858 -0.528 1
1 1345 . 15 1 1 A 110 110 SER CA C 110 58.252 60.986 -2.734 1
1 1346 . 15 1 1 A 110 110 SER CB C 110 63.598 63.245 0.353 1
1 1347 . 15 1 1 A 110 110 SER N N 110 116.242 114.907 1.335 1
1 1348 . 15 1 1 A 111 111 ARG H H 111 8.238 7.763 0.475 1
1 1349 . 15 1 1 A 111 111 ARG HA H 111 4.426 4.876 -0.450 1
1 1357 . 15 1 1 A 111 111 ARG C C 111 176.113 174.884 1.229 1
1 1358 . 15 1 1 A 111 111 ARG CA C 111 55.848 55.094 0.754 1
1 1359 . 15 1 1 A 111 111 ARG CB C 111 30.755 32.207 -1.452 1
1 1362 . 15 1 1 A 111 111 ARG N N 111 122.827 118.357 4.470 1
1 1364 . 15 1 1 A 112 112 THR H H 112 8.229 8.701 -0.472 1
1 1365 . 15 1 1 A 112 112 THR HA H 112 4.573 4.931 -0.358 1
1 1370 . 15 1 1 A 112 112 THR C C 112 172.790 171.453 1.337 1
1 1371 . 15 1 1 A 112 112 THR CA C 112 59.716 58.104 1.612 1
1 1372 . 15 1 1 A 112 112 THR CB C 112 69.503 72.380 -2.877 1
1 1374 . 15 1 1 A 112 112 THR N N 112 117.863 116.789 1.074 1
1 1375 . 15 1 1 A 113 113 PRO HA H 113 4.388 4.895 -0.507 1
1 1382 . 15 1 1 A 113 113 PRO C C 113 176.605 176.146 0.459 1
1 1383 . 15 1 1 A 113 113 PRO CA C 113 63.131 62.515 0.616 1
1 1384 . 15 1 1 A 113 113 PRO CB C 113 31.931 31.975 -0.044 1
1 1387 . 15 1 1 A 114 114 ALA H H 114 8.422 8.558 -0.136 1
1 1388 . 15 1 1 A 114 114 ALA HA H 114 4.284 4.702 -0.418 1
1 1392 . 15 1 1 A 114 114 ALA C C 114 178.251 176.569 1.682 1
1 1393 . 15 1 1 A 114 114 ALA CA C 114 52.518 51.391 1.127 1
1 1394 . 15 1 1 A 114 114 ALA CB C 114 19.131 22.216 -3.085 1
1 1395 . 15 1 1 A 114 114 ALA N N 114 124.466 122.556 1.910 1
1 1396 . 15 1 1 A 115 115 GLY H H 115 8.380 8.555 -0.175 1
1 1397 . 15 1 1 A 115 115 GLY HA2 H 115 3.956 3.928 0.028 1
1 1398 . 15 1 1 A 115 115 GLY HA3 H 115 3.934 3.928 0.006 1
1 1399 . 15 1 1 A 115 115 GLY C C 115 174.020 173.919 0.101 1
1 1400 . 15 1 1 A 115 115 GLY CA C 115 45.095 46.208 -1.113 1
1 1401 . 15 1 1 A 115 115 GLY N N 115 108.587 109.316 -0.729 1
1 1402 . 15 1 1 A 116 116 ALA H H 116 8.127 7.809 0.318 1
1 1403 . 15 1 1 A 116 116 ALA HA H 116 4.292 4.764 -0.472 1
1 1407 . 15 1 1 A 116 116 ALA C C 116 177.565 175.280 2.285 1
1 1408 . 15 1 1 A 116 116 ALA CA C 116 52.504 50.818 1.686 1
1 1409 . 15 1 1 A 116 116 ALA CB C 116 19.187 21.628 -2.441 1
1 1410 . 15 1 1 A 116 116 ALA N N 116 123.523 122.506 1.017 1
1 1411 . 15 1 1 A 117 117 ASP H H 117 8.316 8.872 -0.556 1
1 1412 . 15 1 1 A 117 117 ASP HA H 117 4.555 5.361 -0.806 1
1 1415 . 15 1 1 A 117 117 ASP C C 117 175.899 173.700 2.199 1
1 1416 . 15 1 1 A 117 117 ASP CA C 117 54.254 53.061 1.193 1
1 1417 . 15 1 1 A 117 117 ASP CB C 117 40.962 44.940 -3.978 1
1 1418 . 15 1 1 A 117 117 ASP N N 117 118.783 121.195 -2.412 1
1 1419 . 15 1 1 A 118 118 ASP H H 118 8.083 8.860 -0.777 1
1 1420 . 15 1 1 A 118 118 ASP HA H 118 4.529 5.387 -0.858 1
1 1423 . 15 1 1 A 118 118 ASP C C 118 176.278 173.872 2.406 1
1 1424 . 15 1 1 A 118 118 ASP CA C 118 54.202 53.254 0.948 1
1 1425 . 15 1 1 A 118 118 ASP CB C 118 40.933 44.630 -3.697 1
1 1426 . 15 1 1 A 118 118 ASP N N 118 119.935 119.354 0.581 1
1 1427 . 15 1 1 A 119 119 TYR H H 119 8.107 8.808 -0.701 1
1 1428 . 15 1 1 A 119 119 TYR HA H 119 4.450 5.043 -0.593 1
1 1435 . 15 1 1 A 119 119 TYR C C 119 175.825 174.161 1.664 1
1 1436 . 15 1 1 A 119 119 TYR CA C 119 58.350 58.057 0.293 1
1 1437 . 15 1 1 A 119 119 TYR CB C 119 38.260 42.027 -3.767 1
1 1442 . 15 1 1 A 119 119 TYR N N 119 120.415 120.624 -0.209 1
1 1443 . 15 1 1 A 120 120 ASN H H 120 8.276 8.451 -0.175 1
1 1444 . 15 1 1 A 120 120 ASN HA H 120 4.615 4.703 -0.088 1
1 1449 . 15 1 1 A 120 120 ASN C C 120 175.102 175.842 -0.740 1
1 1450 . 15 1 1 A 120 120 ASN CA C 120 53.396 53.136 0.260 1
1 1451 . 15 1 1 A 120 120 ASN CB C 120 38.712 37.427 1.285 1
1 1452 . 15 1 1 A 120 120 ASN N N 120 119.834 124.662 -4.828 1
1 1454 . 15 1 1 A 121 121 VAL H H 121 7.897 7.713 0.184 1
1 1455 . 15 1 1 A 121 121 VAL HA H 121 4.009 4.291 -0.282 1
1 1463 . 15 1 1 A 121 121 VAL C C 121 176.484 174.588 1.896 1
1 1464 . 15 1 1 A 121 121 VAL CA C 121 62.950 61.490 1.460 1
1 1465 . 15 1 1 A 121 121 VAL CB C 121 32.326 30.974 1.352 1
1 1468 . 15 1 1 A 121 121 VAL N N 121 120.109 120.380 -0.271 1
1 1469 . 15 1 1 A 122 122 VAL H H 122 8.091 8.287 -0.196 1
1 1470 . 15 1 1 A 122 122 VAL HA H 122 4.014 4.929 -0.915 1
1 1478 . 15 1 1 A 122 122 VAL C C 122 176.568 173.863 2.705 1
1 1479 . 15 1 1 A 122 122 VAL CA C 122 62.924 60.046 2.878 1
1 1480 . 15 1 1 A 122 122 VAL CB C 122 32.279 33.982 -1.703 1
1 1483 . 15 1 1 A 122 122 VAL N N 122 122.407 126.682 -4.275 1
1 1484 . 15 1 1 A 123 123 SER H H 123 8.228 8.722 -0.494 1
1 1485 . 15 1 1 A 123 123 SER HA H 123 4.385 5.077 -0.692 1
1 1488 . 15 1 1 A 123 123 SER C C 123 174.863 172.664 2.199 1
1 1489 . 15 1 1 A 123 123 SER CA C 123 58.525 57.527 0.998 1
1 1490 . 15 1 1 A 123 123 SER CB C 123 63.450 64.494 -1.044 1
1 1491 . 15 1 1 A 123 123 SER N N 123 118.095 122.867 -4.772 1
1 1492 . 15 1 1 A 124 124 ARG H H 124 8.208 8.782 -0.574 1
1 1493 . 15 1 1 A 124 124 ARG HA H 124 4.297 4.819 -0.522 1
1 1500 . 15 1 1 A 124 124 ARG C C 124 176.328 174.465 1.863 1
1 1501 . 15 1 1 A 124 124 ARG CA C 124 56.408 55.509 0.899 1
1 1502 . 15 1 1 A 124 124 ARG CB C 124 30.480 33.644 -3.164 1
1 1505 . 15 1 1 A 124 124 ARG N N 124 122.632 127.912 -5.280 1
1 1506 . 15 1 1 A 125 125 LEU H H 125 8.081 8.780 -0.699 1
1 1507 . 15 1 1 A 125 125 LEU HA H 125 4.262 5.268 -1.006 1
1 1517 . 15 1 1 A 125 125 LEU C C 125 177.375 175.004 2.371 1
1 1518 . 15 1 1 A 125 125 LEU CA C 125 55.282 53.086 2.196 1
1 1519 . 15 1 1 A 125 125 LEU CB C 125 42.042 45.766 -3.724 1
1 1523 . 15 1 1 A 125 125 LEU N N 125 121.964 122.571 -0.607 1
1 1524 . 15 1 1 A 126 126 GLU H H 126 8.232 8.868 -0.636 1
1 1525 . 15 1 1 A 126 126 GLU HA H 126 4.179 5.136 -0.957 1
1 1530 . 15 1 1 A 126 126 GLU C C 126 176.238 174.615 1.623 1
1 1531 . 15 1 1 A 126 126 GLU CA C 126 56.451 55.323 1.128 1
1 1532 . 15 1 1 A 126 126 GLU CB C 126 30.131 32.883 -2.752 1
1 14 . 16 1 1 A 2 2 GLU H H 2 8.824 8.105 0.719 1
1 15 . 16 1 1 A 2 2 GLU HA H 2 4.687 4.809 -0.122 1
1 20 . 16 1 1 A 2 2 GLU C C 2 175.506 176.222 -0.716 1
1 21 . 16 1 1 A 2 2 GLU CA C 2 54.603 53.451 1.152 1
1 22 . 16 1 1 A 2 2 GLU CB C 2 29.310 31.341 -2.031 1
1 24 . 16 1 1 A 2 2 GLU N N 2 125.698 125.483 0.215 1
1 25 . 16 1 1 A 3 3 PRO HA H 3 4.398 4.402 -0.004 1
1 32 . 16 1 1 A 3 3 PRO C C 3 176.267 176.670 -0.403 1
1 33 . 16 1 1 A 3 3 PRO CA C 3 64.781 65.319 -0.538 1
1 34 . 16 1 1 A 3 3 PRO CB C 3 31.918 31.770 0.148 1
1 37 . 16 1 1 A 4 4 GLN H H 4 7.738 8.000 -0.262 1
1 38 . 16 1 1 A 4 4 GLN HA H 4 4.908 4.883 0.025 1
1 45 . 16 1 1 A 4 4 GLN C C 4 175.006 174.111 0.895 1
1 46 . 16 1 1 A 4 4 GLN CA C 4 54.697 54.767 -0.070 1
1 47 . 16 1 1 A 4 4 GLN CB C 4 31.196 30.997 0.199 1
1 49 . 16 1 1 A 4 4 GLN N N 4 114.971 117.808 -2.837 1
1 51 . 16 1 1 A 5 5 SER H H 5 9.180 8.915 0.265 1
1 52 . 16 1 1 A 5 5 SER HA H 5 4.825 5.253 -0.428 1
1 55 . 16 1 1 A 5 5 SER C C 5 172.669 173.167 -0.498 1
1 56 . 16 1 1 A 5 5 SER CA C 5 58.100 56.297 1.803 1
1 57 . 16 1 1 A 5 5 SER CB C 5 65.536 65.775 -0.239 1
1 58 . 16 1 1 A 5 5 SER N N 5 117.801 120.221 -2.420 1
1 59 . 16 1 1 A 6 6 ASP H H 6 8.386 8.937 -0.551 1
1 60 . 16 1 1 A 6 6 ASP HA H 6 4.841 4.743 0.098 1
1 63 . 16 1 1 A 6 6 ASP C C 6 177.071 177.815 -0.744 1
1 64 . 16 1 1 A 6 6 ASP CA C 6 53.810 54.319 -0.509 1
1 65 . 16 1 1 A 6 6 ASP CB C 6 42.427 41.489 0.938 1
1 66 . 16 1 1 A 6 6 ASP N N 6 123.042 125.373 -2.331 1
1 67 . 16 1 1 A 7 7 ALA H H 7 9.312 9.101 0.211 1
1 68 . 16 1 1 A 7 7 ALA HA H 7 4.036 4.119 -0.083 1
1 72 . 16 1 1 A 7 7 ALA C C 7 178.859 179.614 -0.755 1
1 73 . 16 1 1 A 7 7 ALA CA C 7 55.703 55.500 0.203 1
1 74 . 16 1 1 A 7 7 ALA CB C 7 17.952 18.423 -0.471 1
1 75 . 16 1 1 A 7 7 ALA N N 7 123.976 125.673 -1.697 1
1 76 . 16 1 1 A 8 8 HIS H H 8 8.537 7.871 0.666 1
1 77 . 16 1 1 A 8 8 HIS HA H 8 3.950 4.169 -0.219 1
1 82 . 16 1 1 A 8 8 HIS C C 8 178.023 176.790 1.233 1
1 83 . 16 1 1 A 8 8 HIS CA C 8 59.778 59.680 0.098 1
1 84 . 16 1 1 A 8 8 HIS CB C 8 29.039 29.741 -0.702 1
1 87 . 16 1 1 A 8 8 HIS N N 8 114.303 118.078 -3.775 1
1 90 . 16 1 1 A 9 9 VAL H H 9 7.567 7.791 -0.224 1
1 91 . 16 1 1 A 9 9 VAL HA H 9 3.709 3.422 0.287 1
1 99 . 16 1 1 A 9 9 VAL C C 9 178.518 177.864 0.654 1
1 100 . 16 1 1 A 9 9 VAL CA C 9 65.508 66.234 -0.726 1
1 101 . 16 1 1 A 9 9 VAL CB C 9 31.604 31.529 0.075 1
1 104 . 16 1 1 A 9 9 VAL N N 9 121.235 119.243 1.992 1
1 105 . 16 1 1 A 10 10 LEU H H 10 7.219 8.083 -0.864 1
1 106 . 16 1 1 A 10 10 LEU HA H 10 3.716 3.670 0.046 1
1 116 . 16 1 1 A 10 10 LEU C C 10 177.133 178.210 -1.077 1
1 117 . 16 1 1 A 10 10 LEU CA C 10 57.133 58.526 -1.393 1
1 118 . 16 1 1 A 10 10 LEU CB C 10 40.756 41.501 -0.745 1
1 122 . 16 1 1 A 10 10 LEU N N 10 120.890 120.759 0.131 1
1 123 . 16 1 1 A 11 11 LYS H H 11 8.568 8.142 0.426 1
1 124 . 16 1 1 A 11 11 LYS HA H 11 3.943 3.995 -0.052 1
1 133 . 16 1 1 A 11 11 LYS C C 11 178.143 178.731 -0.588 1
1 134 . 16 1 1 A 11 11 LYS CA C 11 60.388 59.311 1.077 1
1 135 . 16 1 1 A 11 11 LYS CB C 11 32.354 31.643 0.711 1
1 139 . 16 1 1 A 11 11 LYS N N 11 120.361 119.397 0.964 1
1 140 . 16 1 1 A 12 12 SER H H 12 7.865 7.827 0.038 1
1 141 . 16 1 1 A 12 12 SER HA H 12 4.225 4.170 0.055 1
1 144 . 16 1 1 A 12 12 SER C C 12 175.839 176.523 -0.684 1
1 145 . 16 1 1 A 12 12 SER CA C 12 61.626 61.099 0.527 1
1 146 . 16 1 1 A 12 12 SER CB C 12 62.749 62.349 0.400 1
1 147 . 16 1 1 A 12 12 SER N N 12 113.173 115.634 -2.461 1
1 148 . 16 1 1 A 13 13 ARG H H 13 7.701 7.973 -0.272 1
1 149 . 16 1 1 A 13 13 ARG HA H 13 3.827 4.190 -0.363 1
1 157 . 16 1 1 A 13 13 ARG C C 13 178.606 178.500 0.106 1
1 158 . 16 1 1 A 13 13 ARG CA C 13 58.926 58.737 0.189 1
1 159 . 16 1 1 A 13 13 ARG CB C 13 29.616 29.895 -0.279 1
1 162 . 16 1 1 A 13 13 ARG N N 13 122.104 122.204 -0.100 1
1 164 . 16 1 1 A 14 14 LEU H H 14 8.308 8.065 0.243 1
1 165 . 16 1 1 A 14 14 LEU HA H 14 4.219 4.432 -0.213 1
1 175 . 16 1 1 A 14 14 LEU C C 14 178.590 178.866 -0.276 1
1 176 . 16 1 1 A 14 14 LEU CA C 14 57.904 57.969 -0.065 1
1 177 . 16 1 1 A 14 14 LEU CB C 14 42.627 42.079 0.548 1
1 181 . 16 1 1 A 14 14 LEU N N 14 119.549 120.960 -1.411 1
1 182 . 16 1 1 A 15 15 GLU H H 15 7.824 8.644 -0.820 1
1 183 . 16 1 1 A 15 15 GLU HA H 15 3.998 4.030 -0.032 1
1 188 . 16 1 1 A 15 15 GLU C C 15 177.805 178.520 -0.715 1
1 189 . 16 1 1 A 15 15 GLU CA C 15 58.219 59.465 -1.246 1
1 190 . 16 1 1 A 15 15 GLU CB C 15 29.865 29.820 0.045 1
1 192 . 16 1 1 A 15 15 GLU N N 15 116.921 118.045 -1.124 1
1 193 . 16 1 1 A 16 16 TRP H H 16 7.905 8.353 -0.448 1
1 194 . 16 1 1 A 16 16 TRP HA H 16 4.895 4.622 0.273 1
1 203 . 16 1 1 A 16 16 TRP C C 16 176.778 177.306 -0.528 1
1 204 . 16 1 1 A 16 16 TRP CA C 16 57.033 59.500 -2.467 1
1 205 . 16 1 1 A 16 16 TRP CB C 16 30.513 30.938 -0.425 1
1 211 . 16 1 1 A 16 16 TRP N N 16 116.589 119.452 -2.863 1
1 213 . 16 1 1 A 17 17 GLY H H 17 8.007 7.822 0.185 1
1 214 . 16 1 1 A 17 17 GLY HA2 H 17 3.979 4.166 -0.187 1
1 215 . 16 1 1 A 17 17 GLY HA3 H 17 4.200 4.178 0.022 1
1 216 . 16 1 1 A 17 17 GLY C C 17 173.650 173.685 -0.035 1
1 217 . 16 1 1 A 17 17 GLY CA C 17 44.786 44.589 0.197 1
1 218 . 16 1 1 A 17 17 GLY N N 17 108.398 108.007 0.391 1
1 219 . 16 1 1 A 18 18 GLU H H 18 8.483 8.446 0.037 1
1 220 . 16 1 1 A 18 18 GLU HA H 18 4.534 5.097 -0.563 1
1 225 . 16 1 1 A 18 18 GLU C C 18 176.535 175.391 1.144 1
1 226 . 16 1 1 A 18 18 GLU CA C 18 54.615 54.007 0.608 1
1 227 . 16 1 1 A 18 18 GLU CB C 18 29.654 32.988 -3.334 1
1 229 . 16 1 1 A 18 18 GLU N N 18 121.984 120.652 1.332 1
1 230 . 16 1 1 A 19 19 PRO HA H 19 4.549 3.899 0.650 1
1 237 . 16 1 1 A 19 19 PRO C C 19 176.737 176.053 0.684 1
1 238 . 16 1 1 A 19 19 PRO CA C 19 63.685 62.934 0.751 1
1 239 . 16 1 1 A 19 19 PRO CB C 19 30.940 30.912 0.028 1
1 242 . 16 1 1 A 20 20 ALA H H 20 8.386 8.177 0.209 1
1 243 . 16 1 1 A 20 20 ALA HA H 20 4.536 4.386 0.150 1
1 247 . 16 1 1 A 20 20 ALA C C 20 174.844 176.753 -1.909 1
1 248 . 16 1 1 A 20 20 ALA CA C 20 51.312 52.439 -1.127 1
1 249 . 16 1 1 A 20 20 ALA CB C 20 17.883 18.907 -1.024 1
1 250 . 16 1 1 A 20 20 ALA N N 20 126.537 123.221 3.316 1
1 251 . 16 1 1 A 21 21 PHE H H 21 7.244 6.902 0.342 1
1 252 . 16 1 1 A 21 21 PHE HA H 21 5.485 5.706 -0.221 1
1 260 . 16 1 1 A 21 21 PHE C C 21 173.639 173.992 -0.353 1
1 261 . 16 1 1 A 21 21 PHE CA C 21 55.312 55.091 0.221 1
1 262 . 16 1 1 A 21 21 PHE CB C 21 41.581 42.771 -1.190 1
1 268 . 16 1 1 A 21 21 PHE N N 21 115.447 114.592 0.855 1
1 269 . 16 1 1 A 22 22 THR H H 22 9.203 9.165 0.038 1
1 270 . 16 1 1 A 22 22 THR HA H 22 4.583 5.068 -0.485 1
1 275 . 16 1 1 A 22 22 THR C C 22 171.987 173.720 -1.733 1
1 276 . 16 1 1 A 22 22 THR CA C 22 62.368 61.646 0.722 1
1 277 . 16 1 1 A 22 22 THR CB C 22 72.961 70.575 2.386 1
1 279 . 16 1 1 A 22 22 THR N N 22 119.035 115.032 4.003 1
1 280 . 16 1 1 A 23 23 ILE H H 23 9.318 9.417 -0.099 1
1 281 . 16 1 1 A 23 23 ILE HA H 23 5.172 5.316 -0.144 1
1 291 . 16 1 1 A 23 23 ILE C C 23 173.969 175.499 -1.530 1
1 292 . 16 1 1 A 23 23 ILE CA C 23 59.958 59.932 0.026 1
1 293 . 16 1 1 A 23 23 ILE CB C 23 40.273 38.825 1.448 1
1 297 . 16 1 1 A 23 23 ILE N N 23 127.452 129.161 -1.709 1
1 298 . 16 1 1 A 24 24 LEU H H 24 9.522 9.499 0.023 1
1 299 . 16 1 1 A 24 24 LEU HA H 24 4.871 5.063 -0.192 1
1 309 . 16 1 1 A 24 24 LEU C C 24 172.823 174.906 -2.083 1
1 310 . 16 1 1 A 24 24 LEU CA C 24 53.100 53.218 -0.118 1
1 311 . 16 1 1 A 24 24 LEU CB C 24 44.522 43.782 0.740 1
1 315 . 16 1 1 A 24 24 LEU N N 24 127.148 128.224 -1.076 1
1 316 . 16 1 1 A 25 25 ASP H H 25 8.325 8.690 -0.365 1
1 317 . 16 1 1 A 25 25 ASP HA H 25 4.112 4.149 -0.037 1
1 320 . 16 1 1 A 25 25 ASP C C 25 177.457 176.890 0.567 1
1 321 . 16 1 1 A 25 25 ASP CA C 25 51.097 52.883 -1.786 1
1 322 . 16 1 1 A 25 25 ASP CB C 25 43.056 40.778 2.278 1
1 323 . 16 1 1 A 25 25 ASP N N 25 122.856 124.195 -1.339 1
1 324 . 16 1 1 A 26 26 VAL H H 26 7.924 7.943 -0.019 1
1 325 . 16 1 1 A 26 26 VAL HA H 26 4.964 4.391 0.573 1
1 333 . 16 1 1 A 26 26 VAL C C 26 176.585 176.725 -0.140 1
1 334 . 16 1 1 A 26 26 VAL CA C 26 59.554 61.541 -1.987 1
1 335 . 16 1 1 A 26 26 VAL CB C 26 30.002 31.788 -1.786 1
1 338 . 16 1 1 A 26 26 VAL N N 26 117.391 120.112 -2.721 1
1 339 . 16 1 1 A 27 27 ARG H H 27 7.773 7.670 0.103 1
1 340 . 16 1 1 A 27 27 ARG HA H 27 4.418 4.105 0.313 1
1 352 . 16 1 1 A 27 27 ARG C C 27 173.931 175.927 -1.996 1
1 353 . 16 1 1 A 27 27 ARG CA C 27 55.487 58.080 -2.593 1
1 354 . 16 1 1 A 27 27 ARG CB C 27 30.337 30.842 -0.505 1
1 357 . 16 1 1 A 27 27 ARG N N 27 121.126 121.069 0.057 1
1 361 . 16 1 1 A 28 28 ASP H H 28 7.792 7.737 0.055 1
1 362 . 16 1 1 A 28 28 ASP HA H 28 4.431 4.765 -0.334 1
1 365 . 16 1 1 A 28 28 ASP C C 28 176.402 175.901 0.501 1
1 366 . 16 1 1 A 28 28 ASP CA C 28 54.427 53.740 0.687 1
1 367 . 16 1 1 A 28 28 ASP CB C 28 41.498 43.791 -2.293 1
1 368 . 16 1 1 A 28 28 ASP N N 28 115.368 114.410 0.958 1
1 369 . 16 1 1 A 29 29 ARG H H 29 8.781 8.722 0.059 1
1 370 . 16 1 1 A 29 29 ARG HA H 29 3.853 3.911 -0.058 1
1 378 . 16 1 1 A 29 29 ARG C C 29 177.811 177.817 -0.006 1
1 379 . 16 1 1 A 29 29 ARG CA C 29 58.920 59.425 -0.505 1
1 380 . 16 1 1 A 29 29 ARG CB C 29 29.762 29.794 -0.032 1
1 383 . 16 1 1 A 29 29 ARG N N 29 121.538 125.586 -4.048 1
1 385 . 16 1 1 A 30 30 SER H H 30 8.478 8.404 0.074 1
1 386 . 16 1 1 A 30 30 SER HA H 30 4.190 4.211 -0.021 1
1 389 . 16 1 1 A 30 30 SER C C 30 176.814 177.413 -0.599 1
1 390 . 16 1 1 A 30 30 SER CA C 30 61.929 61.271 0.658 1
1 391 . 16 1 1 A 30 30 SER CB C 30 62.051 62.394 -0.343 1
1 392 . 16 1 1 A 30 30 SER N N 30 113.937 115.494 -1.557 1
1 393 . 16 1 1 A 31 31 THR H H 31 7.724 8.019 -0.295 1
1 394 . 16 1 1 A 31 31 THR HA H 31 4.096 3.978 0.118 1
1 399 . 16 1 1 A 31 31 THR C C 31 176.940 176.270 0.670 1
1 400 . 16 1 1 A 31 31 THR CA C 31 66.078 66.139 -0.061 1
1 401 . 16 1 1 A 31 31 THR CB C 31 67.583 68.335 -0.752 1
1 403 . 16 1 1 A 31 31 THR N N 31 120.025 117.497 2.528 1
1 404 . 16 1 1 A 32 32 TYR H H 32 8.186 8.633 -0.447 1
1 405 . 16 1 1 A 32 32 TYR HA H 32 4.009 4.233 -0.224 1
1 410 . 16 1 1 A 32 32 TYR C C 32 180.166 178.312 1.854 1
1 411 . 16 1 1 A 32 32 TYR CA C 32 61.797 61.978 -0.181 1
1 412 . 16 1 1 A 32 32 TYR CB C 32 37.300 38.780 -1.480 1
1 415 . 16 1 1 A 32 32 TYR N N 32 123.636 122.711 0.925 1
1 416 . 16 1 1 A 33 33 ASN H H 33 8.838 8.041 0.797 1
1 417 . 16 1 1 A 33 33 ASN HA H 33 4.435 4.436 -0.001 1
1 422 . 16 1 1 A 33 33 ASN C C 33 176.730 177.542 -0.812 1
1 423 . 16 1 1 A 33 33 ASN CA C 33 55.167 56.401 -1.234 1
1 424 . 16 1 1 A 33 33 ASN CB C 33 37.308 37.767 -0.459 1
1 425 . 16 1 1 A 33 33 ASN N N 33 122.000 118.420 3.580 1
1 427 . 16 1 1 A 34 34 ASP H H 34 7.510 8.056 -0.546 1
1 428 . 16 1 1 A 34 34 ASP HA H 34 4.587 4.432 0.155 1
1 431 . 16 1 1 A 34 34 ASP C C 34 177.045 176.704 0.341 1
1 432 . 16 1 1 A 34 34 ASP CA C 34 56.487 56.530 -0.043 1
1 433 . 16 1 1 A 34 34 ASP CB C 34 40.822 41.244 -0.422 1
1 434 . 16 1 1 A 34 34 ASP N N 34 119.832 118.491 1.341 1
1 435 . 16 1 1 A 35 35 GLY H H 35 7.412 7.507 -0.095 1
1 436 . 16 1 1 A 35 35 GLY HA2 H 35 3.997 4.003 -0.006 1
1 437 . 16 1 1 A 35 35 GLY HA3 H 35 3.997 4.066 -0.069 1
1 438 . 16 1 1 A 35 35 GLY C C 35 171.246 171.744 -0.498 1
1 439 . 16 1 1 A 35 35 GLY CA C 35 46.441 45.878 0.563 1
1 440 . 16 1 1 A 35 35 GLY N N 35 106.611 105.031 1.580 1
1 441 . 16 1 1 A 36 36 HIS H H 36 8.441 8.905 -0.464 1
1 442 . 16 1 1 A 36 36 HIS HA H 36 4.782 6.061 -1.279 1
1 447 . 16 1 1 A 36 36 HIS C C 36 172.800 174.166 -1.366 1
1 448 . 16 1 1 A 36 36 HIS CA C 36 53.425 53.434 -0.009 1
1 449 . 16 1 1 A 36 36 HIS CB C 36 31.978 32.834 -0.856 1
1 452 . 16 1 1 A 36 36 HIS N N 36 117.929 120.669 -2.740 1
1 455 . 16 1 1 A 37 37 ILE H H 37 8.087 8.367 -0.280 1
1 456 . 16 1 1 A 37 37 ILE HA H 37 3.223 3.615 -0.392 1
1 466 . 16 1 1 A 37 37 ILE C C 37 175.423 176.477 -1.054 1
1 467 . 16 1 1 A 37 37 ILE CA C 37 64.607 61.913 2.694 1
1 468 . 16 1 1 A 37 37 ILE CB C 37 37.269 37.513 -0.244 1
1 472 . 16 1 1 A 37 37 ILE N N 37 120.831 121.459 -0.628 1
1 473 . 16 1 1 A 38 38 MET H H 38 7.625 8.570 -0.945 1
1 474 . 16 1 1 A 38 38 MET HA H 38 3.953 4.546 -0.593 1
1 482 . 16 1 1 A 38 38 MET C C 38 174.632 177.034 -2.402 1
1 483 . 16 1 1 A 38 38 MET CA C 38 57.865 56.991 0.874 1
1 484 . 16 1 1 A 38 38 MET CB C 38 32.882 32.212 0.670 1
1 487 . 16 1 1 A 38 38 MET N N 38 128.683 125.789 2.894 1
1 488 . 16 1 1 A 39 39 GLY H H 39 8.795 9.066 -0.271 1
1 489 . 16 1 1 A 39 39 GLY HA2 H 39 3.727 3.962 -0.235 1
1 490 . 16 1 1 A 39 39 GLY HA3 H 39 4.345 3.987 0.358 1
1 491 . 16 1 1 A 39 39 GLY C C 39 175.442 174.762 0.680 1
1 492 . 16 1 1 A 39 39 GLY CA C 39 44.964 45.462 -0.498 1
1 493 . 16 1 1 A 39 39 GLY N N 39 113.814 114.216 -0.402 1
1 494 . 16 1 1 A 40 40 ALA H H 40 8.566 8.276 0.290 1
1 495 . 16 1 1 A 40 40 ALA HA H 40 4.656 4.521 0.135 1
1 499 . 16 1 1 A 40 40 ALA C C 40 177.459 176.243 1.216 1
1 500 . 16 1 1 A 40 40 ALA CA C 40 52.139 52.074 0.065 1
1 501 . 16 1 1 A 40 40 ALA CB C 40 20.657 20.549 0.108 1
1 502 . 16 1 1 A 40 40 ALA N N 40 122.444 124.109 -1.665 1
1 503 . 16 1 1 A 41 41 MET H H 41 9.268 9.028 0.240 1
1 504 . 16 1 1 A 41 41 MET HA H 41 4.478 5.034 -0.556 1
1 512 . 16 1 1 A 41 41 MET C C 41 174.328 175.140 -0.812 1
1 513 . 16 1 1 A 41 41 MET CA C 41 54.330 53.921 0.409 1
1 514 . 16 1 1 A 41 41 MET CB C 41 34.473 34.478 -0.005 1
1 517 . 16 1 1 A 41 41 MET N N 41 123.908 119.151 4.757 1
1 518 . 16 1 1 A 42 42 ALA H H 42 8.162 8.314 -0.152 1
1 519 . 16 1 1 A 42 42 ALA HA H 42 3.870 3.783 0.087 1
1 523 . 16 1 1 A 42 42 ALA C C 42 177.157 176.387 0.770 1
1 524 . 16 1 1 A 42 42 ALA CA C 42 51.888 51.166 0.722 1
1 525 . 16 1 1 A 42 42 ALA CB C 42 16.282 17.149 -0.867 1
1 526 . 16 1 1 A 42 42 ALA N N 42 126.936 125.496 1.440 1
1 527 . 16 1 1 A 43 43 MET H H 43 8.109 7.834 0.275 1
1 528 . 16 1 1 A 43 43 MET HA H 43 4.386 4.971 -0.585 1
1 536 . 16 1 1 A 43 43 MET C C 43 168.952 173.534 -4.582 1
1 537 . 16 1 1 A 43 43 MET CA C 43 53.535 52.518 1.017 1
1 538 . 16 1 1 A 43 43 MET CB C 43 34.346 33.170 1.176 1
1 541 . 16 1 1 A 43 43 MET N N 43 125.282 123.325 1.957 1
1 542 . 16 1 1 A 44 44 PRO HA H 44 3.949 4.618 -0.669 1
1 549 . 16 1 1 A 44 44 PRO C C 44 179.070 177.849 1.221 1
1 550 . 16 1 1 A 44 44 PRO CA C 44 62.524 62.627 -0.103 1
1 551 . 16 1 1 A 44 44 PRO CB C 44 32.611 32.427 0.184 1
1 554 . 16 1 1 A 45 45 ILE H H 45 7.764 8.635 -0.871 1
1 555 . 16 1 1 A 45 45 ILE HA H 45 3.851 3.915 -0.064 1
1 565 . 16 1 1 A 45 45 ILE C C 45 175.827 177.031 -1.204 1
1 566 . 16 1 1 A 45 45 ILE CA C 45 64.676 63.420 1.256 1
1 567 . 16 1 1 A 45 45 ILE CB C 45 38.991 37.987 1.004 1
1 571 . 16 1 1 A 45 45 ILE N N 45 121.655 124.736 -3.081 1
1 572 . 16 1 1 A 46 46 GLU H H 46 9.102 8.107 0.995 1
1 573 . 16 1 1 A 46 46 GLU HA H 46 4.056 4.004 0.052 1
1 578 . 16 1 1 A 46 46 GLU C C 46 176.499 177.601 -1.102 1
1 579 . 16 1 1 A 46 46 GLU CA C 46 59.349 59.011 0.338 1
1 580 . 16 1 1 A 46 46 GLU CB C 46 28.456 29.653 -1.197 1
1 582 . 16 1 1 A 46 46 GLU N N 46 121.004 121.077 -0.073 1
1 583 . 16 1 1 A 47 47 ASP H H 47 7.729 7.868 -0.139 1
1 584 . 16 1 1 A 47 47 ASP HA H 47 5.059 4.706 0.353 1
1 587 . 16 1 1 A 47 47 ASP C C 47 175.683 176.907 -1.224 1
1 588 . 16 1 1 A 47 47 ASP CA C 47 53.266 54.609 -1.343 1
1 589 . 16 1 1 A 47 47 ASP CB C 47 42.048 41.750 0.298 1
1 590 . 16 1 1 A 47 47 ASP N N 47 117.171 118.055 -0.884 1
1 591 . 16 1 1 A 48 48 LEU H H 48 7.193 7.758 -0.565 1
1 592 . 16 1 1 A 48 48 LEU HA H 48 3.690 3.872 -0.182 1
1 602 . 16 1 1 A 48 48 LEU C C 48 176.829 178.240 -1.411 1
1 603 . 16 1 1 A 48 48 LEU CA C 48 58.905 58.870 0.035 1
1 604 . 16 1 1 A 48 48 LEU CB C 48 43.334 41.770 1.564 1
1 608 . 16 1 1 A 48 48 LEU N N 48 121.314 121.390 -0.076 1
1 609 . 16 1 1 A 49 49 VAL H H 49 8.507 8.010 0.497 1
1 610 . 16 1 1 A 49 49 VAL HA H 49 3.290 3.477 -0.187 1
1 618 . 16 1 1 A 49 49 VAL C C 49 178.915 177.769 1.146 1
1 619 . 16 1 1 A 49 49 VAL CA C 49 67.886 66.998 0.888 1
1 620 . 16 1 1 A 49 49 VAL CB C 49 30.881 31.678 -0.797 1
1 623 . 16 1 1 A 49 49 VAL N N 49 116.698 119.306 -2.608 1
1 624 . 16 1 1 A 50 50 ASP H H 50 8.474 8.252 0.222 1
1 625 . 16 1 1 A 50 50 ASP HA H 50 4.396 4.295 0.101 1
1 628 . 16 1 1 A 50 50 ASP C C 50 178.890 178.439 0.451 1
1 629 . 16 1 1 A 50 50 ASP CA C 50 57.477 57.476 0.001 1
1 630 . 16 1 1 A 50 50 ASP CB C 50 40.945 41.914 -0.969 1
1 631 . 16 1 1 A 50 50 ASP N N 50 121.526 120.031 1.495 1
1 632 . 16 1 1 A 51 51 ARG H H 51 8.334 8.082 0.252 1
1 633 . 16 1 1 A 51 51 ARG HA H 51 4.079 3.986 0.093 1
1 641 . 16 1 1 A 51 51 ARG C C 51 179.634 178.777 0.857 1
1 642 . 16 1 1 A 51 51 ARG CA C 51 58.378 59.685 -1.307 1
1 643 . 16 1 1 A 51 51 ARG CB C 51 29.692 30.246 -0.554 1
1 646 . 16 1 1 A 51 51 ARG N N 51 118.666 118.229 0.437 1
1 648 . 16 1 1 A 52 52 ALA H H 52 9.250 8.104 1.146 1
1 649 . 16 1 1 A 52 52 ALA HA H 52 3.752 4.178 -0.426 1
1 653 . 16 1 1 A 52 52 ALA C C 52 179.710 179.603 0.107 1
1 654 . 16 1 1 A 52 52 ALA CA C 52 55.830 55.189 0.641 1
1 655 . 16 1 1 A 52 52 ALA CB C 52 18.164 18.222 -0.058 1
1 656 . 16 1 1 A 52 52 ALA N N 52 124.004 121.661 2.343 1
1 657 . 16 1 1 A 53 53 SER H H 53 8.392 8.299 0.093 1
1 658 . 16 1 1 A 53 53 SER HA H 53 4.457 4.253 0.204 1
1 661 . 16 1 1 A 53 53 SER C C 53 175.807 176.855 -1.048 1
1 662 . 16 1 1 A 53 53 SER CA C 53 62.214 61.308 0.906 1
1 663 . 16 1 1 A 53 53 SER CB C 53 62.805 63.302 -0.497 1
1 664 . 16 1 1 A 53 53 SER N N 53 111.154 113.633 -2.479 1
1 665 . 16 1 1 A 54 54 SER H H 54 7.570 7.962 -0.392 1
1 666 . 16 1 1 A 54 54 SER HA H 54 4.512 4.244 0.268 1
1 669 . 16 1 1 A 54 54 SER C C 54 175.210 176.383 -1.173 1
1 670 . 16 1 1 A 54 54 SER CA C 54 59.567 61.562 -1.995 1
1 671 . 16 1 1 A 54 54 SER CB C 54 63.902 63.008 0.894 1
1 672 . 16 1 1 A 54 54 SER N N 54 112.745 116.260 -3.515 1
1 673 . 16 1 1 A 55 55 SER H H 55 7.501 7.858 -0.357 1
1 674 . 16 1 1 A 55 55 SER HA H 55 4.744 4.607 0.137 1
1 677 . 16 1 1 A 55 55 SER C C 55 173.106 173.531 -0.425 1
1 678 . 16 1 1 A 55 55 SER CA C 55 59.905 58.507 1.398 1
1 679 . 16 1 1 A 55 55 SER CB C 55 65.881 64.074 1.807 1
1 680 . 16 1 1 A 55 55 SER N N 55 113.238 113.533 -0.295 1
1 681 . 16 1 1 A 56 56 LEU H H 56 8.320 7.926 0.394 1
1 682 . 16 1 1 A 56 56 LEU HA H 56 4.823 4.909 -0.086 1
1 692 . 16 1 1 A 56 56 LEU C C 56 175.441 175.298 0.143 1
1 693 . 16 1 1 A 56 56 LEU CA C 56 53.476 53.373 0.103 1
1 694 . 16 1 1 A 56 56 LEU CB C 56 44.655 45.185 -0.530 1
1 698 . 16 1 1 A 56 56 LEU N N 56 122.043 122.299 -0.256 1
1 699 . 16 1 1 A 57 57 GLU H H 57 8.510 8.793 -0.283 1
1 700 . 16 1 1 A 57 57 GLU HA H 57 4.334 4.600 -0.266 1
1 705 . 16 1 1 A 57 57 GLU C C 57 177.869 177.169 0.700 1
1 706 . 16 1 1 A 57 57 GLU CA C 57 55.911 55.660 0.251 1
1 707 . 16 1 1 A 57 57 GLU CB C 57 30.193 31.439 -1.246 1
1 709 . 16 1 1 A 57 57 GLU N N 57 121.479 122.427 -0.948 1
1 710 . 16 1 1 A 58 58 LYS H H 58 8.513 8.834 -0.321 1
1 711 . 16 1 1 A 58 58 LYS HA H 58 3.811 3.787 0.024 1
1 720 . 16 1 1 A 58 58 LYS C C 58 178.345 177.457 0.888 1
1 721 . 16 1 1 A 58 58 LYS CA C 58 58.526 58.853 -0.327 1
1 722 . 16 1 1 A 58 58 LYS CB C 58 31.265 31.712 -0.447 1
1 726 . 16 1 1 A 58 58 LYS N N 58 120.689 126.624 -5.935 1
1 727 . 16 1 1 A 59 59 SER H H 59 7.912 7.663 0.249 1
1 728 . 16 1 1 A 59 59 SER HA H 59 4.437 4.078 0.359 1
1 731 . 16 1 1 A 59 59 SER C C 59 174.216 174.545 -0.329 1
1 732 . 16 1 1 A 59 59 SER CA C 59 57.862 58.364 -0.502 1
1 733 . 16 1 1 A 59 59 SER CB C 59 63.682 63.479 0.203 1
1 734 . 16 1 1 A 59 59 SER N N 59 111.530 111.330 0.200 1
1 735 . 16 1 1 A 60 60 ARG H H 60 7.477 7.476 0.001 1
1 736 . 16 1 1 A 60 60 ARG HA H 60 4.199 4.175 0.024 1
1 744 . 16 1 1 A 60 60 ARG C C 60 174.880 175.934 -1.054 1
1 745 . 16 1 1 A 60 60 ARG CA C 60 55.828 56.360 -0.532 1
1 746 . 16 1 1 A 60 60 ARG CB C 60 31.971 30.485 1.486 1
1 749 . 16 1 1 A 60 60 ARG N N 60 125.535 122.912 2.623 1
1 751 . 16 1 1 A 61 61 ASP H H 61 8.540 8.645 -0.105 1
1 752 . 16 1 1 A 61 61 ASP HA H 61 4.903 4.948 -0.045 1
1 755 . 16 1 1 A 61 61 ASP C C 61 175.569 175.820 -0.251 1
1 756 . 16 1 1 A 61 61 ASP CA C 61 55.438 54.417 1.021 1
1 757 . 16 1 1 A 61 61 ASP CB C 61 40.847 40.127 0.720 1
1 758 . 16 1 1 A 61 61 ASP N N 61 126.761 124.939 1.822 1
1 759 . 16 1 1 A 62 62 ILE H H 62 8.630 8.847 -0.217 1
1 760 . 16 1 1 A 62 62 ILE HA H 62 5.038 5.003 0.035 1
1 770 . 16 1 1 A 62 62 ILE C C 62 174.444 174.794 -0.350 1
1 771 . 16 1 1 A 62 62 ILE CA C 62 59.799 60.415 -0.616 1
1 772 . 16 1 1 A 62 62 ILE CB C 62 42.130 38.582 3.548 1
1 776 . 16 1 1 A 62 62 ILE N N 62 125.212 125.342 -0.130 1
1 777 . 16 1 1 A 63 63 TYR H H 63 9.026 9.421 -0.395 1
1 778 . 16 1 1 A 63 63 TYR HA H 63 5.230 5.186 0.044 1
1 785 . 16 1 1 A 63 63 TYR C C 63 175.088 174.782 0.306 1
1 786 . 16 1 1 A 63 63 TYR CA C 63 56.143 57.206 -1.063 1
1 787 . 16 1 1 A 63 63 TYR CB C 63 41.302 39.871 1.431 1
1 792 . 16 1 1 A 63 63 TYR N N 63 125.467 127.535 -2.068 1
1 793 . 16 1 1 A 64 64 VAL H H 64 8.523 9.386 -0.863 1
1 794 . 16 1 1 A 64 64 VAL HA H 64 5.106 4.727 0.379 1
1 802 . 16 1 1 A 64 64 VAL C C 64 174.072 175.076 -1.004 1
1 803 . 16 1 1 A 64 64 VAL CA C 64 60.302 61.612 -1.310 1
1 804 . 16 1 1 A 64 64 VAL CB C 64 35.121 32.896 2.225 1
1 807 . 16 1 1 A 64 64 VAL N N 64 121.014 123.792 -2.778 1
1 808 . 16 1 1 A 65 65 TYR H H 65 8.832 8.903 -0.071 1
1 809 . 16 1 1 A 65 65 TYR HA H 65 5.289 5.872 -0.583 1
1 816 . 16 1 1 A 65 65 TYR C C 65 172.116 173.743 -1.627 1
1 817 . 16 1 1 A 65 65 TYR CA C 65 56.777 55.028 1.749 1
1 818 . 16 1 1 A 65 65 TYR CB C 65 42.528 41.920 0.608 1
1 819 . 16 1 1 A 65 65 TYR N N 65 120.331 123.948 -3.617 1
1 820 . 16 1 1 A 66 66 GLY H H 66 8.278 8.869 -0.591 1
1 821 . 16 1 1 A 66 66 GLY HA2 H 66 3.449 4.109 -0.660 1
1 822 . 16 1 1 A 66 66 GLY HA3 H 66 4.408 4.215 0.193 1
1 823 . 16 1 1 A 66 66 GLY C C 66 173.636 174.645 -1.009 1
1 824 . 16 1 1 A 66 66 GLY CA C 66 43.793 44.232 -0.439 1
1 825 . 16 1 1 A 66 66 GLY N N 66 108.458 108.755 -0.297 1
1 826 . 16 1 1 A 67 67 ALA H H 67 9.485 8.948 0.537 1
1 827 . 16 1 1 A 67 67 ALA HA H 67 4.331 4.232 0.099 1
1 831 . 16 1 1 A 67 67 ALA C C 67 176.363 177.333 -0.970 1
1 832 . 16 1 1 A 67 67 ALA CA C 67 52.848 53.416 -0.568 1
1 833 . 16 1 1 A 67 67 ALA CB C 67 18.178 19.999 -1.821 1
1 834 . 16 1 1 A 67 67 ALA N N 67 126.325 121.387 4.938 1
1 835 . 16 1 1 A 68 68 GLY H H 68 7.553 7.909 -0.356 1
1 836 . 16 1 1 A 68 68 GLY HA2 H 68 4.270 4.166 0.104 1
1 837 . 16 1 1 A 68 68 GLY HA3 H 68 4.209 4.176 0.033 1
1 838 . 16 1 1 A 68 68 GLY C C 68 173.695 174.781 -1.086 1
1 839 . 16 1 1 A 68 68 GLY CA C 68 44.112 44.030 0.082 1
1 840 . 16 1 1 A 68 68 GLY N N 68 106.057 105.424 0.633 1
1 841 . 16 1 1 A 69 69 ASP H H 69 8.904 9.231 -0.327 1
1 842 . 16 1 1 A 69 69 ASP HA H 69 4.408 4.500 -0.092 1
1 845 . 16 1 1 A 69 69 ASP C C 69 178.531 178.043 0.488 1
1 846 . 16 1 1 A 69 69 ASP CA C 69 57.592 56.701 0.891 1
1 847 . 16 1 1 A 69 69 ASP CB C 69 40.198 40.443 -0.245 1
1 848 . 16 1 1 A 69 69 ASP N N 69 121.078 120.159 0.919 1
1 849 . 16 1 1 A 70 70 GLU H H 70 8.905 8.516 0.389 1
1 850 . 16 1 1 A 70 70 GLU HA H 70 4.110 4.076 0.034 1
1 855 . 16 1 1 A 70 70 GLU C C 70 178.745 178.907 -0.162 1
1 856 . 16 1 1 A 70 70 GLU CA C 70 59.956 59.372 0.584 1
1 857 . 16 1 1 A 70 70 GLU CB C 70 28.534 29.069 -0.535 1
1 859 . 16 1 1 A 70 70 GLU N N 70 120.998 118.045 2.953 1
1 860 . 16 1 1 A 71 71 GLN H H 71 8.453 7.880 0.573 1
1 861 . 16 1 1 A 71 71 GLN HA H 71 4.106 4.117 -0.011 1
1 868 . 16 1 1 A 71 71 GLN C C 71 178.164 178.258 -0.094 1
1 869 . 16 1 1 A 71 71 GLN CA C 71 59.350 58.523 0.827 1
1 870 . 16 1 1 A 71 71 GLN CB C 71 29.682 28.115 1.567 1
1 872 . 16 1 1 A 71 71 GLN N N 71 121.273 119.568 1.705 1
1 874 . 16 1 1 A 72 72 THR H H 72 8.267 7.889 0.378 1
1 875 . 16 1 1 A 72 72 THR HA H 72 3.524 3.978 -0.454 1
1 880 . 16 1 1 A 72 72 THR C C 72 175.546 176.911 -1.365 1
1 881 . 16 1 1 A 72 72 THR CA C 72 67.395 65.513 1.882 1
1 882 . 16 1 1 A 72 72 THR CB C 72 68.145 68.084 0.061 1
1 884 . 16 1 1 A 72 72 THR N N 72 115.641 115.325 0.316 1
1 885 . 16 1 1 A 73 73 SER H H 73 8.265 7.912 0.353 1
1 886 . 16 1 1 A 73 73 SER HA H 73 4.029 4.082 -0.053 1
1 889 . 16 1 1 A 73 73 SER C C 73 176.825 175.985 0.840 1
1 890 . 16 1 1 A 73 73 SER CA C 73 61.746 62.133 -0.387 1
1 891 . 16 1 1 A 73 73 SER CB C 73 62.746 62.990 -0.244 1
1 892 . 16 1 1 A 73 73 SER N N 73 115.814 117.597 -1.783 1
1 893 . 16 1 1 A 74 74 GLN H H 74 8.119 7.641 0.478 1
1 894 . 16 1 1 A 74 74 GLN HA H 74 4.090 4.035 0.055 1
1 901 . 16 1 1 A 74 74 GLN C C 74 178.630 177.906 0.724 1
1 902 . 16 1 1 A 74 74 GLN CA C 74 58.903 58.409 0.494 1
1 903 . 16 1 1 A 74 74 GLN CB C 74 27.943 28.922 -0.979 1
1 905 . 16 1 1 A 74 74 GLN N N 74 121.446 121.089 0.357 1
1 907 . 16 1 1 A 75 75 ALA H H 75 8.210 7.908 0.302 1
1 908 . 16 1 1 A 75 75 ALA HA H 75 3.879 4.025 -0.146 1
1 912 . 16 1 1 A 75 75 ALA C C 75 178.843 179.754 -0.911 1
1 913 . 16 1 1 A 75 75 ALA CA C 75 54.959 55.118 -0.159 1
1 914 . 16 1 1 A 75 75 ALA CB C 75 20.226 18.325 1.901 1
1 915 . 16 1 1 A 75 75 ALA N N 75 121.007 122.107 -1.100 1
1 916 . 16 1 1 A 76 76 VAL H H 76 8.257 8.497 -0.240 1
1 917 . 16 1 1 A 76 76 VAL HA H 76 3.472 3.449 0.023 1
1 925 . 16 1 1 A 76 76 VAL C C 76 177.639 178.058 -0.419 1
1 926 . 16 1 1 A 76 76 VAL CA C 76 67.080 66.857 0.223 1
1 927 . 16 1 1 A 76 76 VAL CB C 76 30.945 31.487 -0.542 1
1 930 . 16 1 1 A 76 76 VAL N N 76 116.281 119.407 -3.126 1
1 931 . 16 1 1 A 77 77 ASN H H 77 8.190 8.241 -0.051 1
1 932 . 16 1 1 A 77 77 ASN HA H 77 4.430 4.365 0.065 1
1 937 . 16 1 1 A 77 77 ASN C C 77 178.638 177.852 0.786 1
1 938 . 16 1 1 A 77 77 ASN CA C 77 56.666 56.689 -0.023 1
1 939 . 16 1 1 A 77 77 ASN CB C 77 37.950 39.249 -1.299 1
1 940 . 16 1 1 A 77 77 ASN N N 77 118.786 118.914 -0.128 1
1 942 . 16 1 1 A 78 78 LEU H H 78 8.222 8.220 0.002 1
1 943 . 16 1 1 A 78 78 LEU HA H 78 4.045 3.967 0.078 1
1 953 . 16 1 1 A 78 78 LEU C C 78 180.246 179.436 0.810 1
1 954 . 16 1 1 A 78 78 LEU CA C 78 57.926 58.280 -0.354 1
1 955 . 16 1 1 A 78 78 LEU CB C 78 41.892 41.530 0.362 1
1 959 . 16 1 1 A 78 78 LEU N N 78 121.759 120.023 1.736 1
1 960 . 16 1 1 A 79 79 LEU H H 79 7.887 8.218 -0.331 1
1 961 . 16 1 1 A 79 79 LEU HA H 79 4.051 3.742 0.309 1
1 971 . 16 1 1 A 79 79 LEU C C 79 179.804 179.597 0.207 1
1 972 . 16 1 1 A 79 79 LEU CA C 79 57.788 58.097 -0.309 1
1 973 . 16 1 1 A 79 79 LEU CB C 79 41.616 41.197 0.419 1
1 977 . 16 1 1 A 79 79 LEU N N 79 118.127 118.630 -0.503 1
1 978 . 16 1 1 A 80 80 ARG H H 80 8.942 8.393 0.549 1
1 979 . 16 1 1 A 80 80 ARG HA H 80 4.516 4.508 0.008 1
1 987 . 16 1 1 A 80 80 ARG C C 80 181.546 178.517 3.029 1
1 988 . 16 1 1 A 80 80 ARG CA C 80 60.006 58.623 1.383 1
1 989 . 16 1 1 A 80 80 ARG CB C 80 29.510 29.885 -0.375 1
1 992 . 16 1 1 A 80 80 ARG N N 80 120.974 118.889 2.085 1
1 994 . 16 1 1 A 81 81 SER H H 81 8.394 8.268 0.126 1
1 995 . 16 1 1 A 81 81 SER HA H 81 4.307 4.137 0.170 1
1 998 . 16 1 1 A 81 81 SER C C 81 174.601 176.770 -2.169 1
1 999 . 16 1 1 A 81 81 SER CA C 81 61.570 61.546 0.024 1
1 1000 . 16 1 1 A 81 81 SER CB C 81 62.832 62.929 -0.097 1
1 1001 . 16 1 1 A 81 81 SER N N 81 116.329 115.721 0.608 1
1 1002 . 16 1 1 A 82 82 ALA H H 82 7.507 7.600 -0.093 1
1 1003 . 16 1 1 A 82 82 ALA HA H 82 4.546 4.373 0.173 1
1 1007 . 16 1 1 A 82 82 ALA C C 82 176.449 177.924 -1.475 1
1 1008 . 16 1 1 A 82 82 ALA CA C 82 51.759 52.153 -0.394 1
1 1009 . 16 1 1 A 82 82 ALA CB C 82 18.850 19.328 -0.478 1
1 1010 . 16 1 1 A 82 82 ALA N N 82 122.576 119.489 3.087 1
1 1011 . 16 1 1 A 83 83 GLY H H 83 7.678 7.973 -0.295 1
1 1012 . 16 1 1 A 83 83 GLY HA2 H 83 3.623 3.860 -0.237 1
1 1013 . 16 1 1 A 83 83 GLY HA3 H 83 4.217 3.917 0.300 1
1 1014 . 16 1 1 A 83 83 GLY C C 83 174.557 174.754 -0.197 1
1 1015 . 16 1 1 A 83 83 GLY CA C 83 44.741 45.155 -0.414 1
1 1016 . 16 1 1 A 83 83 GLY N N 83 104.117 107.287 -3.170 1
1 1017 . 16 1 1 A 84 84 PHE H H 84 7.923 8.062 -0.139 1
1 1018 . 16 1 1 A 84 84 PHE HA H 84 4.254 4.359 -0.105 1
1 1026 . 16 1 1 A 84 84 PHE C C 84 176.479 175.861 0.618 1
1 1027 . 16 1 1 A 84 84 PHE CA C 84 60.127 59.175 0.952 1
1 1028 . 16 1 1 A 84 84 PHE CB C 84 36.999 38.714 -1.715 1
1 1034 . 16 1 1 A 84 84 PHE N N 84 119.861 119.737 0.124 1
1 1035 . 16 1 1 A 85 85 GLU H H 85 7.730 9.319 -1.589 1
1 1036 . 16 1 1 A 85 85 GLU HA H 85 3.965 4.474 -0.509 1
1 1041 . 16 1 1 A 85 85 GLU C C 85 176.966 177.446 -0.480 1
1 1042 . 16 1 1 A 85 85 GLU CA C 85 57.841 58.669 -0.828 1
1 1043 . 16 1 1 A 85 85 GLU CB C 85 32.054 30.642 1.412 1
1 1045 . 16 1 1 A 85 85 GLU N N 85 122.200 123.570 -1.370 1
1 1046 . 16 1 1 A 86 86 HIS H H 86 9.957 7.804 2.153 1
1 1047 . 16 1 1 A 86 86 HIS HA H 86 4.988 4.709 0.279 1
1 1052 . 16 1 1 A 86 86 HIS C C 86 171.400 174.190 -2.790 1
1 1053 . 16 1 1 A 86 86 HIS CA C 86 53.063 54.942 -1.879 1
1 1054 . 16 1 1 A 86 86 HIS CB C 86 29.823 28.220 1.603 1
1 1057 . 16 1 1 A 86 86 HIS N N 86 122.245 117.401 4.844 1
1 1060 . 16 1 1 A 87 87 VAL H H 87 8.233 8.567 -0.334 1
1 1061 . 16 1 1 A 87 87 VAL HA H 87 4.934 4.747 0.187 1
1 1069 . 16 1 1 A 87 87 VAL C C 87 175.510 174.363 1.147 1
1 1070 . 16 1 1 A 87 87 VAL CA C 87 59.972 60.849 -0.877 1
1 1071 . 16 1 1 A 87 87 VAL CB C 87 33.883 34.034 -0.151 1
1 1074 . 16 1 1 A 87 87 VAL N N 87 120.946 125.673 -4.727 1
1 1075 . 16 1 1 A 88 88 SER H H 88 8.968 9.133 -0.165 1
1 1076 . 16 1 1 A 88 88 SER HA H 88 4.869 5.374 -0.505 1
1 1079 . 16 1 1 A 88 88 SER C C 88 174.093 173.175 0.918 1
1 1080 . 16 1 1 A 88 88 SER CA C 88 55.935 56.145 -0.210 1
1 1081 . 16 1 1 A 88 88 SER CB C 88 66.077 66.352 -0.275 1
1 1082 . 16 1 1 A 88 88 SER N N 88 121.913 122.311 -0.398 1
1 1083 . 16 1 1 A 89 89 GLU H H 89 8.628 8.691 -0.063 1
1 1084 . 16 1 1 A 89 89 GLU HA H 89 4.233 5.328 -1.095 1
1 1089 . 16 1 1 A 89 89 GLU C C 89 175.212 174.977 0.235 1
1 1090 . 16 1 1 A 89 89 GLU CA C 89 55.728 54.929 0.799 1
1 1091 . 16 1 1 A 89 89 GLU CB C 89 31.640 32.642 -1.002 1
1 1093 . 16 1 1 A 89 89 GLU N N 89 125.288 121.327 3.961 1
1 1094 . 16 1 1 A 90 90 LEU H H 90 8.727 9.054 -0.327 1
1 1095 . 16 1 1 A 90 90 LEU HA H 90 4.829 5.076 -0.247 1
1 1105 . 16 1 1 A 90 90 LEU C C 90 175.893 175.307 0.586 1
1 1106 . 16 1 1 A 90 90 LEU CA C 90 53.771 54.385 -0.614 1
1 1107 . 16 1 1 A 90 90 LEU CB C 90 41.511 43.373 -1.862 1
1 1111 . 16 1 1 A 90 90 LEU N N 90 125.766 126.452 -0.686 1
1 1112 . 16 1 1 A 91 91 LYS H H 91 8.715 9.023 -0.308 1
1 1113 . 16 1 1 A 91 91 LYS HA H 91 4.164 3.949 0.215 1
1 1122 . 16 1 1 A 91 91 LYS C C 91 177.680 177.403 0.277 1
1 1123 . 16 1 1 A 91 91 LYS CA C 91 57.796 58.530 -0.734 1
1 1124 . 16 1 1 A 91 91 LYS CB C 91 31.705 31.972 -0.267 1
1 1128 . 16 1 1 A 91 91 LYS N N 91 131.405 127.208 4.197 1
1 1129 . 16 1 1 A 92 92 GLY H H 92 9.408 8.612 0.796 1
1 1130 . 16 1 1 A 92 92 GLY HA2 H 92 3.828 4.029 -0.201 1
1 1131 . 16 1 1 A 92 92 GLY HA3 H 92 4.268 4.038 0.230 1
1 1132 . 16 1 1 A 92 92 GLY C C 92 175.634 174.907 0.727 1
1 1133 . 16 1 1 A 92 92 GLY CA C 92 46.001 45.008 0.993 1
1 1134 . 16 1 1 A 92 92 GLY N N 92 115.262 112.800 2.462 1
1 1135 . 16 1 1 A 93 93 GLY H H 93 7.616 8.884 -1.268 1
1 1136 . 16 1 1 A 93 93 GLY HA2 H 93 3.429 4.032 -0.603 1
1 1137 . 16 1 1 A 93 93 GLY HA3 H 93 4.276 4.086 0.190 1
1 1138 . 16 1 1 A 93 93 GLY C C 93 172.357 174.632 -2.275 1
1 1139 . 16 1 1 A 93 93 GLY CA C 93 46.436 46.703 -0.267 1
1 1140 . 16 1 1 A 93 93 GLY N N 93 106.201 109.864 -3.663 1
1 1141 . 16 1 1 A 94 94 LEU H H 94 8.854 9.030 -0.176 1
1 1142 . 16 1 1 A 94 94 LEU HA H 94 3.643 4.091 -0.448 1
1 1152 . 16 1 1 A 94 94 LEU C C 94 178.092 178.565 -0.473 1
1 1153 . 16 1 1 A 94 94 LEU CA C 94 56.966 57.397 -0.431 1
1 1154 . 16 1 1 A 94 94 LEU CB C 94 41.937 41.545 0.392 1
1 1158 . 16 1 1 A 94 94 LEU N N 94 124.279 125.828 -1.549 1
1 1159 . 16 1 1 A 95 95 ALA H H 95 8.683 8.329 0.354 1
1 1160 . 16 1 1 A 95 95 ALA HA H 95 4.061 4.040 0.021 1
1 1164 . 16 1 1 A 95 95 ALA C C 95 180.877 179.741 1.136 1
1 1165 . 16 1 1 A 95 95 ALA CA C 95 55.406 55.642 -0.236 1
1 1166 . 16 1 1 A 95 95 ALA CB C 95 18.053 18.292 -0.239 1
1 1167 . 16 1 1 A 95 95 ALA N N 95 120.253 120.855 -0.602 1
1 1168 . 16 1 1 A 96 96 ALA H H 96 7.249 7.861 -0.612 1
1 1169 . 16 1 1 A 96 96 ALA HA H 96 4.132 4.052 0.080 1
1 1173 . 16 1 1 A 96 96 ALA C C 96 179.350 179.506 -0.156 1
1 1174 . 16 1 1 A 96 96 ALA CA C 96 54.429 55.105 -0.676 1
1 1175 . 16 1 1 A 96 96 ALA CB C 96 18.580 18.462 0.118 1
1 1176 . 16 1 1 A 96 96 ALA N N 96 121.080 119.567 1.513 1
1 1177 . 16 1 1 A 97 97 TRP H H 97 7.636 7.910 -0.274 1
1 1178 . 16 1 1 A 97 97 TRP HA H 97 4.051 4.145 -0.094 1
1 1187 . 16 1 1 A 97 97 TRP C C 97 178.223 178.300 -0.077 1
1 1188 . 16 1 1 A 97 97 TRP CA C 97 59.343 61.691 -2.348 1
1 1189 . 16 1 1 A 97 97 TRP CB C 97 29.734 29.866 -0.132 1
1 1195 . 16 1 1 A 97 97 TRP N N 97 119.015 120.780 -1.765 1
1 1197 . 16 1 1 A 98 98 LYS H H 98 8.764 8.336 0.428 1
1 1198 . 16 1 1 A 98 98 LYS HA H 98 3.886 4.061 -0.175 1
1 1207 . 16 1 1 A 98 98 LYS C C 98 180.503 179.212 1.291 1
1 1208 . 16 1 1 A 98 98 LYS CA C 98 59.365 59.355 0.010 1
1 1209 . 16 1 1 A 98 98 LYS CB C 98 31.899 32.091 -0.192 1
1 1213 . 16 1 1 A 98 98 LYS N N 98 117.855 118.643 -0.788 1
1 1214 . 16 1 1 A 99 99 ALA H H 99 7.802 8.394 -0.592 1
1 1215 . 16 1 1 A 99 99 ALA HA H 99 4.139 4.095 0.044 1
1 1219 . 16 1 1 A 99 99 ALA C C 99 179.188 179.203 -0.015 1
1 1220 . 16 1 1 A 99 99 ALA CA C 99 54.521 54.903 -0.382 1
1 1221 . 16 1 1 A 99 99 ALA CB C 99 18.016 18.314 -0.298 1
1 1222 . 16 1 1 A 99 99 ALA N N 99 121.263 121.134 0.129 1
1 1223 . 16 1 1 A 100 100 ILE H H 100 6.803 7.445 -0.642 1
1 1224 . 16 1 1 A 100 100 ILE HA H 100 4.509 4.107 0.402 1
1 1234 . 16 1 1 A 100 100 ILE C C 100 175.810 176.338 -0.528 1
1 1235 . 16 1 1 A 100 100 ILE CA C 100 59.964 60.534 -0.570 1
1 1236 . 16 1 1 A 100 100 ILE CB C 100 37.866 37.191 0.675 1
1 1240 . 16 1 1 A 100 100 ILE N N 100 107.978 111.131 -3.153 1
1 1241 . 16 1 1 A 101 101 GLY H H 101 7.741 7.780 -0.039 1
1 1242 . 16 1 1 A 101 101 GLY HA2 H 101 3.618 3.898 -0.280 1
1 1243 . 16 1 1 A 101 101 GLY HA3 H 101 3.866 3.902 -0.036 1
1 1244 . 16 1 1 A 101 101 GLY C C 101 175.319 175.155 0.164 1
1 1245 . 16 1 1 A 101 101 GLY CA C 101 45.444 46.471 -1.027 1
1 1246 . 16 1 1 A 101 101 GLY N N 101 109.732 110.945 -1.213 1
1 1247 . 16 1 1 A 102 102 GLY H H 102 7.823 7.926 -0.103 1
1 1248 . 16 1 1 A 102 102 GLY HA2 H 102 2.942 2.876 0.066 1
1 1249 . 16 1 1 A 102 102 GLY HA3 H 102 2.942 3.529 -0.587 1
1 1250 . 16 1 1 A 102 102 GLY C C 102 171.578 173.044 -1.466 1
1 1251 . 16 1 1 A 102 102 GLY CA C 102 41.964 44.390 -2.426 1
1 1252 . 16 1 1 A 102 102 GLY N N 102 108.608 107.282 1.326 1
1 1253 . 16 1 1 A 103 103 PRO HA H 103 4.643 4.700 -0.057 1
1 1260 . 16 1 1 A 103 103 PRO C C 103 178.778 176.622 2.156 1
1 1261 . 16 1 1 A 103 103 PRO CA C 103 62.843 63.259 -0.416 1
1 1262 . 16 1 1 A 103 103 PRO CB C 103 32.263 31.841 0.422 1
1 1265 . 16 1 1 A 104 104 THR H H 104 8.760 8.511 0.249 1
1 1266 . 16 1 1 A 104 104 THR HA H 104 5.017 5.205 -0.188 1
1 1271 . 16 1 1 A 104 104 THR C C 104 172.498 173.066 -0.568 1
1 1272 . 16 1 1 A 104 104 THR CA C 104 59.729 59.568 0.161 1
1 1273 . 16 1 1 A 104 104 THR CB C 104 72.479 71.968 0.511 1
1 1275 . 16 1 1 A 104 104 THR N N 104 116.086 112.778 3.308 1
1 1276 . 16 1 1 A 105 105 GLU H H 105 8.267 8.759 -0.492 1
1 1277 . 16 1 1 A 105 105 GLU HA H 105 4.499 4.802 -0.303 1
1 1282 . 16 1 1 A 105 105 GLU C C 105 173.848 174.806 -0.958 1
1 1283 . 16 1 1 A 105 105 GLU CA C 105 54.647 54.806 -0.159 1
1 1284 . 16 1 1 A 105 105 GLU CB C 105 34.227 32.385 1.842 1
1 1286 . 16 1 1 A 105 105 GLU N N 105 117.663 119.499 -1.836 1
1 1287 . 16 1 1 A 106 106 GLY H H 106 8.207 8.397 -0.190 1
1 1288 . 16 1 1 A 106 106 GLY HA2 H 106 3.873 4.122 -0.249 1
1 1289 . 16 1 1 A 106 106 GLY HA3 H 106 3.873 4.209 -0.336 1
1 1290 . 16 1 1 A 106 106 GLY C C 106 173.052 174.922 -1.870 1
1 1291 . 16 1 1 A 106 106 GLY CA C 106 44.313 44.431 -0.118 1
1 1292 . 16 1 1 A 106 106 GLY N N 106 108.896 108.526 0.370 1
1 1293 . 16 1 1 A 107 107 ILE H H 107 8.333 9.279 -0.946 1
1 1294 . 16 1 1 A 107 107 ILE HA H 107 4.110 3.841 0.269 1
1 1304 . 16 1 1 A 107 107 ILE C C 107 176.773 177.510 -0.737 1
1 1305 . 16 1 1 A 107 107 ILE CA C 107 62.404 64.538 -2.134 1
1 1306 . 16 1 1 A 107 107 ILE CB C 107 38.826 37.651 1.175 1
1 1310 . 16 1 1 A 107 107 ILE N N 107 119.410 120.936 -1.526 1
1 1311 . 16 1 1 A 108 108 ILE H H 108 8.369 8.022 0.347 1
1 1312 . 16 1 1 A 108 108 ILE HA H 108 4.167 3.742 0.425 1
1 1322 . 16 1 1 A 108 108 ILE C C 108 176.821 177.941 -1.120 1
1 1323 . 16 1 1 A 108 108 ILE CA C 108 61.060 64.198 -3.138 1
1 1324 . 16 1 1 A 108 108 ILE CB C 108 37.984 36.145 1.839 1
1 1328 . 16 1 1 A 108 108 ILE N N 108 122.390 119.954 2.436 1
1 1329 . 16 1 1 A 109 109 GLU H H 109 8.127 8.195 -0.068 1
1 1330 . 16 1 1 A 109 109 GLU HA H 109 4.218 3.983 0.235 1
1 1335 . 16 1 1 A 109 109 GLU C C 109 176.438 179.473 -3.035 1
1 1336 . 16 1 1 A 109 109 GLU CA C 109 56.548 59.396 -2.848 1
1 1337 . 16 1 1 A 109 109 GLU CB C 109 30.178 29.238 0.940 1
1 1339 . 16 1 1 A 109 109 GLU N N 109 123.739 121.466 2.273 1
1 1340 . 16 1 1 A 110 110 SER H H 110 8.291 7.548 0.743 1
1 1341 . 16 1 1 A 110 110 SER HA H 110 4.446 4.357 0.089 1
1 1344 . 16 1 1 A 110 110 SER C C 110 174.330 174.918 -0.588 1
1 1345 . 16 1 1 A 110 110 SER CA C 110 58.252 61.251 -2.999 1
1 1346 . 16 1 1 A 110 110 SER CB C 110 63.598 63.615 -0.017 1
1 1347 . 16 1 1 A 110 110 SER N N 110 116.242 113.924 2.318 1
1 1348 . 16 1 1 A 111 111 ARG H H 111 8.238 7.585 0.653 1
1 1349 . 16 1 1 A 111 111 ARG HA H 111 4.426 4.654 -0.228 1
1 1357 . 16 1 1 A 111 111 ARG C C 111 176.113 174.897 1.216 1
1 1358 . 16 1 1 A 111 111 ARG CA C 111 55.848 55.068 0.780 1
1 1359 . 16 1 1 A 111 111 ARG CB C 111 30.755 33.195 -2.440 1
1 1362 . 16 1 1 A 111 111 ARG N N 111 122.827 114.261 8.566 1
1 1364 . 16 1 1 A 112 112 THR H H 112 8.229 8.573 -0.344 1
1 1365 . 16 1 1 A 112 112 THR HA H 112 4.573 4.875 -0.302 1
1 1370 . 16 1 1 A 112 112 THR C C 112 172.790 173.953 -1.163 1
1 1371 . 16 1 1 A 112 112 THR CA C 112 59.716 60.331 -0.615 1
1 1372 . 16 1 1 A 112 112 THR CB C 112 69.503 69.024 0.479 1
1 1374 . 16 1 1 A 112 112 THR N N 112 117.863 112.531 5.332 1
1 1375 . 16 1 1 A 113 113 PRO HA H 113 4.388 4.643 -0.255 1
1 1382 . 16 1 1 A 113 113 PRO C C 113 176.605 175.402 1.203 1
1 1383 . 16 1 1 A 113 113 PRO CA C 113 63.131 62.452 0.679 1
1 1384 . 16 1 1 A 113 113 PRO CB C 113 31.931 33.279 -1.348 1
1 1387 . 16 1 1 A 114 114 ALA H H 114 8.422 8.305 0.117 1
1 1388 . 16 1 1 A 114 114 ALA HA H 114 4.284 4.561 -0.277 1
1 1392 . 16 1 1 A 114 114 ALA C C 114 178.251 176.161 2.090 1
1 1393 . 16 1 1 A 114 114 ALA CA C 114 52.518 51.551 0.967 1
1 1394 . 16 1 1 A 114 114 ALA CB C 114 19.131 21.932 -2.801 1
1 1395 . 16 1 1 A 114 114 ALA N N 114 124.466 119.871 4.595 1
1 1396 . 16 1 1 A 115 115 GLY H H 115 8.380 8.448 -0.068 1
1 1397 . 16 1 1 A 115 115 GLY HA2 H 115 3.956 4.157 -0.201 1
1 1398 . 16 1 1 A 115 115 GLY HA3 H 115 3.934 4.157 -0.223 1
1 1399 . 16 1 1 A 115 115 GLY C C 115 174.020 172.938 1.082 1
1 1400 . 16 1 1 A 115 115 GLY CA C 115 45.095 44.709 0.386 1
1 1401 . 16 1 1 A 115 115 GLY N N 115 108.587 106.048 2.539 1
1 1402 . 16 1 1 A 116 116 ALA H H 116 8.127 8.555 -0.428 1
1 1403 . 16 1 1 A 116 116 ALA HA H 116 4.292 4.959 -0.667 1
1 1407 . 16 1 1 A 116 116 ALA C C 116 177.565 175.368 2.197 1
1 1408 . 16 1 1 A 116 116 ALA CA C 116 52.504 51.992 0.512 1
1 1409 . 16 1 1 A 116 116 ALA CB C 116 19.187 20.563 -1.376 1
1 1410 . 16 1 1 A 116 116 ALA N N 116 123.523 125.978 -2.455 1
1 1411 . 16 1 1 A 117 117 ASP H H 117 8.316 8.823 -0.507 1
1 1412 . 16 1 1 A 117 117 ASP HA H 117 4.555 5.098 -0.543 1
1 1415 . 16 1 1 A 117 117 ASP C C 117 175.899 173.867 2.032 1
1 1416 . 16 1 1 A 117 117 ASP CA C 117 54.254 54.312 -0.058 1
1 1417 . 16 1 1 A 117 117 ASP CB C 117 40.962 43.512 -2.550 1
1 1418 . 16 1 1 A 117 117 ASP N N 117 118.783 122.803 -4.020 1
1 1419 . 16 1 1 A 118 118 ASP H H 118 8.083 8.787 -0.704 1
1 1420 . 16 1 1 A 118 118 ASP HA H 118 4.529 5.327 -0.798 1
1 1423 . 16 1 1 A 118 118 ASP C C 118 176.278 173.626 2.652 1
1 1424 . 16 1 1 A 118 118 ASP CA C 118 54.202 52.930 1.272 1
1 1425 . 16 1 1 A 118 118 ASP CB C 118 40.933 44.766 -3.833 1
1 1426 . 16 1 1 A 118 118 ASP N N 118 119.935 123.478 -3.543 1
1 1427 . 16 1 1 A 119 119 TYR H H 119 8.107 8.853 -0.746 1
1 1428 . 16 1 1 A 119 119 TYR HA H 119 4.450 5.243 -0.793 1
1 1435 . 16 1 1 A 119 119 TYR C C 119 175.825 173.989 1.836 1
1 1436 . 16 1 1 A 119 119 TYR CA C 119 58.350 56.499 1.851 1
1 1437 . 16 1 1 A 119 119 TYR CB C 119 38.260 42.366 -4.106 1
1 1442 . 16 1 1 A 119 119 TYR N N 119 120.415 121.447 -1.032 1
1 1443 . 16 1 1 A 120 120 ASN H H 120 8.276 8.371 -0.095 1
1 1444 . 16 1 1 A 120 120 ASN HA H 120 4.615 4.690 -0.075 1
1 1449 . 16 1 1 A 120 120 ASN C C 120 175.102 174.803 0.299 1
1 1450 . 16 1 1 A 120 120 ASN CA C 120 53.396 52.897 0.499 1
1 1451 . 16 1 1 A 120 120 ASN CB C 120 38.712 37.678 1.034 1
1 1452 . 16 1 1 A 120 120 ASN N N 120 119.834 124.435 -4.601 1
1 1454 . 16 1 1 A 121 121 VAL H H 121 7.897 8.207 -0.310 1
1 1455 . 16 1 1 A 121 121 VAL HA H 121 4.009 4.106 -0.097 1
1 1463 . 16 1 1 A 121 121 VAL C C 121 176.484 176.895 -0.411 1
1 1464 . 16 1 1 A 121 121 VAL CA C 121 62.950 65.067 -2.117 1
1 1465 . 16 1 1 A 121 121 VAL CB C 121 32.326 32.212 0.114 1
1 1468 . 16 1 1 A 121 121 VAL N N 121 120.109 125.223 -5.114 1
1 1469 . 16 1 1 A 122 122 VAL H H 122 8.091 7.438 0.653 1
1 1470 . 16 1 1 A 122 122 VAL HA H 122 4.014 4.071 -0.057 1
1 1478 . 16 1 1 A 122 122 VAL C C 122 176.568 175.100 1.468 1
1 1479 . 16 1 1 A 122 122 VAL CA C 122 62.924 61.791 1.133 1
1 1480 . 16 1 1 A 122 122 VAL CB C 122 32.279 30.748 1.531 1
1 1483 . 16 1 1 A 122 122 VAL N N 122 122.407 117.741 4.666 1
1 1484 . 16 1 1 A 123 123 SER H H 123 8.228 8.463 -0.235 1
1 1485 . 16 1 1 A 123 123 SER HA H 123 4.385 4.785 -0.400 1
1 1488 . 16 1 1 A 123 123 SER C C 123 174.863 172.731 2.132 1
1 1489 . 16 1 1 A 123 123 SER CA C 123 58.525 57.057 1.468 1
1 1490 . 16 1 1 A 123 123 SER CB C 123 63.450 63.106 0.344 1
1 1491 . 16 1 1 A 123 123 SER N N 123 118.095 123.716 -5.621 1
1 1492 . 16 1 1 A 124 124 ARG H H 124 8.208 8.222 -0.014 1
1 1493 . 16 1 1 A 124 124 ARG HA H 124 4.297 4.741 -0.444 1
1 1500 . 16 1 1 A 124 124 ARG C C 124 176.328 173.707 2.621 1
1 1501 . 16 1 1 A 124 124 ARG CA C 124 56.408 55.696 0.712 1
1 1502 . 16 1 1 A 124 124 ARG CB C 124 30.480 33.542 -3.062 1
1 1505 . 16 1 1 A 124 124 ARG N N 124 122.632 126.418 -3.786 1
1 1506 . 16 1 1 A 125 125 LEU H H 125 8.081 9.117 -1.036 1
1 1507 . 16 1 1 A 125 125 LEU HA H 125 4.262 5.220 -0.958 1
1 1517 . 16 1 1 A 125 125 LEU C C 125 177.375 175.004 2.371 1
1 1518 . 16 1 1 A 125 125 LEU CA C 125 55.282 53.936 1.346 1
1 1519 . 16 1 1 A 125 125 LEU CB C 125 42.042 46.233 -4.191 1
1 1523 . 16 1 1 A 125 125 LEU N N 125 121.964 128.163 -6.199 1
1 1524 . 16 1 1 A 126 126 GLU H H 126 8.232 9.122 -0.890 1
1 1525 . 16 1 1 A 126 126 GLU HA H 126 4.179 5.191 -1.012 1
1 1530 . 16 1 1 A 126 126 GLU C C 126 176.238 174.961 1.277 1
1 1531 . 16 1 1 A 126 126 GLU CA C 126 56.451 54.676 1.775 1
1 1532 . 16 1 1 A 126 126 GLU CB C 126 30.131 33.396 -3.265 1
1 14 . 17 1 1 A 2 2 GLU H H 2 8.824 8.678 0.146 1
1 15 . 17 1 1 A 2 2 GLU HA H 2 4.687 4.407 0.280 1
1 20 . 17 1 1 A 2 2 GLU C C 2 175.506 176.493 -0.987 1
1 21 . 17 1 1 A 2 2 GLU CA C 2 54.603 54.786 -0.183 1
1 22 . 17 1 1 A 2 2 GLU CB C 2 29.310 29.287 0.023 1
1 24 . 17 1 1 A 2 2 GLU N N 2 125.698 121.577 4.121 1
1 25 . 17 1 1 A 3 3 PRO HA H 3 4.398 4.368 0.030 1
1 32 . 17 1 1 A 3 3 PRO C C 3 176.267 176.262 0.005 1
1 33 . 17 1 1 A 3 3 PRO CA C 3 64.781 64.089 0.692 1
1 34 . 17 1 1 A 3 3 PRO CB C 3 31.918 32.109 -0.191 1
1 37 . 17 1 1 A 4 4 GLN H H 4 7.738 7.526 0.212 1
1 38 . 17 1 1 A 4 4 GLN HA H 4 4.908 4.881 0.027 1
1 45 . 17 1 1 A 4 4 GLN C C 4 175.006 173.708 1.298 1
1 46 . 17 1 1 A 4 4 GLN CA C 4 54.697 55.455 -0.758 1
1 47 . 17 1 1 A 4 4 GLN CB C 4 31.196 31.947 -0.751 1
1 49 . 17 1 1 A 4 4 GLN N N 4 114.971 115.930 -0.959 1
1 51 . 17 1 1 A 5 5 SER H H 5 9.180 8.626 0.554 1
1 52 . 17 1 1 A 5 5 SER HA H 5 4.825 5.009 -0.184 1
1 55 . 17 1 1 A 5 5 SER C C 5 172.669 172.993 -0.324 1
1 56 . 17 1 1 A 5 5 SER CA C 5 58.100 57.477 0.623 1
1 57 . 17 1 1 A 5 5 SER CB C 5 65.536 66.454 -0.918 1
1 58 . 17 1 1 A 5 5 SER N N 5 117.801 122.714 -4.913 1
1 59 . 17 1 1 A 6 6 ASP H H 6 8.386 8.909 -0.523 1
1 60 . 17 1 1 A 6 6 ASP HA H 6 4.841 4.725 0.116 1
1 63 . 17 1 1 A 6 6 ASP C C 6 177.071 177.651 -0.580 1
1 64 . 17 1 1 A 6 6 ASP CA C 6 53.810 54.380 -0.570 1
1 65 . 17 1 1 A 6 6 ASP CB C 6 42.427 41.782 0.645 1
1 66 . 17 1 1 A 6 6 ASP N N 6 123.042 124.113 -1.071 1
1 67 . 17 1 1 A 7 7 ALA H H 7 9.312 8.487 0.825 1
1 68 . 17 1 1 A 7 7 ALA HA H 7 4.036 4.174 -0.138 1
1 72 . 17 1 1 A 7 7 ALA C C 7 178.859 180.108 -1.249 1
1 73 . 17 1 1 A 7 7 ALA CA C 7 55.703 55.476 0.227 1
1 74 . 17 1 1 A 7 7 ALA CB C 7 17.952 18.153 -0.201 1
1 75 . 17 1 1 A 7 7 ALA N N 7 123.976 124.826 -0.850 1
1 76 . 17 1 1 A 8 8 HIS H H 8 8.537 7.687 0.850 1
1 77 . 17 1 1 A 8 8 HIS HA H 8 3.950 4.228 -0.278 1
1 82 . 17 1 1 A 8 8 HIS C C 8 178.023 177.857 0.166 1
1 83 . 17 1 1 A 8 8 HIS CA C 8 59.778 58.258 1.520 1
1 84 . 17 1 1 A 8 8 HIS CB C 8 29.039 28.507 0.532 1
1 87 . 17 1 1 A 8 8 HIS N N 8 114.303 115.616 -1.313 1
1 90 . 17 1 1 A 9 9 VAL H H 9 7.567 8.130 -0.563 1
1 91 . 17 1 1 A 9 9 VAL HA H 9 3.709 3.498 0.211 1
1 99 . 17 1 1 A 9 9 VAL C C 9 178.518 178.097 0.421 1
1 100 . 17 1 1 A 9 9 VAL CA C 9 65.508 66.857 -1.349 1
1 101 . 17 1 1 A 9 9 VAL CB C 9 31.604 31.644 -0.040 1
1 104 . 17 1 1 A 9 9 VAL N N 9 121.235 121.140 0.095 1
1 105 . 17 1 1 A 10 10 LEU H H 10 7.219 7.974 -0.755 1
1 106 . 17 1 1 A 10 10 LEU HA H 10 3.716 3.651 0.065 1
1 116 . 17 1 1 A 10 10 LEU C C 10 177.133 178.236 -1.103 1
1 117 . 17 1 1 A 10 10 LEU CA C 10 57.133 58.432 -1.299 1
1 118 . 17 1 1 A 10 10 LEU CB C 10 40.756 41.443 -0.687 1
1 122 . 17 1 1 A 10 10 LEU N N 10 120.890 120.193 0.697 1
1 123 . 17 1 1 A 11 11 LYS H H 11 8.568 8.278 0.290 1
1 124 . 17 1 1 A 11 11 LYS HA H 11 3.943 3.904 0.039 1
1 133 . 17 1 1 A 11 11 LYS C C 11 178.143 179.272 -1.129 1
1 134 . 17 1 1 A 11 11 LYS CA C 11 60.388 59.577 0.811 1
1 135 . 17 1 1 A 11 11 LYS CB C 11 32.354 31.796 0.558 1
1 139 . 17 1 1 A 11 11 LYS N N 11 120.361 119.834 0.527 1
1 140 . 17 1 1 A 12 12 SER H H 12 7.865 8.297 -0.432 1
1 141 . 17 1 1 A 12 12 SER HA H 12 4.225 4.285 -0.060 1
1 144 . 17 1 1 A 12 12 SER C C 12 175.839 176.986 -1.147 1
1 145 . 17 1 1 A 12 12 SER CA C 12 61.626 61.951 -0.325 1
1 146 . 17 1 1 A 12 12 SER CB C 12 62.749 62.794 -0.045 1
1 147 . 17 1 1 A 12 12 SER N N 12 113.173 117.187 -4.014 1
1 148 . 17 1 1 A 13 13 ARG H H 13 7.701 7.318 0.383 1
1 149 . 17 1 1 A 13 13 ARG HA H 13 3.827 4.198 -0.371 1
1 157 . 17 1 1 A 13 13 ARG C C 13 178.606 179.161 -0.555 1
1 158 . 17 1 1 A 13 13 ARG CA C 13 58.926 58.802 0.124 1
1 159 . 17 1 1 A 13 13 ARG CB C 13 29.616 29.516 0.100 1
1 162 . 17 1 1 A 13 13 ARG N N 13 122.104 122.028 0.076 1
1 164 . 17 1 1 A 14 14 LEU H H 14 8.308 8.307 0.001 1
1 165 . 17 1 1 A 14 14 LEU HA H 14 4.219 4.304 -0.085 1
1 175 . 17 1 1 A 14 14 LEU C C 14 178.590 178.865 -0.275 1
1 176 . 17 1 1 A 14 14 LEU CA C 14 57.904 58.330 -0.426 1
1 177 . 17 1 1 A 14 14 LEU CB C 14 42.627 42.129 0.498 1
1 181 . 17 1 1 A 14 14 LEU N N 14 119.549 121.922 -2.373 1
1 182 . 17 1 1 A 15 15 GLU H H 15 7.824 8.323 -0.499 1
1 183 . 17 1 1 A 15 15 GLU HA H 15 3.998 4.092 -0.094 1
1 188 . 17 1 1 A 15 15 GLU C C 15 177.805 178.358 -0.553 1
1 189 . 17 1 1 A 15 15 GLU CA C 15 58.219 58.892 -0.673 1
1 190 . 17 1 1 A 15 15 GLU CB C 15 29.865 30.422 -0.557 1
1 192 . 17 1 1 A 15 15 GLU N N 15 116.921 117.983 -1.062 1
1 193 . 17 1 1 A 16 16 TRP H H 16 7.905 8.382 -0.477 1
1 194 . 17 1 1 A 16 16 TRP HA H 16 4.895 4.672 0.223 1
1 203 . 17 1 1 A 16 16 TRP C C 16 176.778 177.018 -0.240 1
1 204 . 17 1 1 A 16 16 TRP CA C 16 57.033 59.373 -2.340 1
1 205 . 17 1 1 A 16 16 TRP CB C 16 30.513 31.166 -0.653 1
1 211 . 17 1 1 A 16 16 TRP N N 16 116.589 118.423 -1.834 1
1 213 . 17 1 1 A 17 17 GLY H H 17 8.007 8.134 -0.127 1
1 214 . 17 1 1 A 17 17 GLY HA2 H 17 3.979 4.150 -0.171 1
1 215 . 17 1 1 A 17 17 GLY HA3 H 17 4.200 4.156 0.044 1
1 216 . 17 1 1 A 17 17 GLY C C 17 173.650 173.109 0.541 1
1 217 . 17 1 1 A 17 17 GLY CA C 17 44.786 44.477 0.309 1
1 218 . 17 1 1 A 17 17 GLY N N 17 108.398 107.844 0.554 1
1 219 . 17 1 1 A 18 18 GLU H H 18 8.483 8.551 -0.068 1
1 220 . 17 1 1 A 18 18 GLU HA H 18 4.534 5.026 -0.492 1
1 225 . 17 1 1 A 18 18 GLU C C 18 176.535 176.607 -0.072 1
1 226 . 17 1 1 A 18 18 GLU CA C 18 54.615 53.941 0.674 1
1 227 . 17 1 1 A 18 18 GLU CB C 18 29.654 31.473 -1.819 1
1 229 . 17 1 1 A 18 18 GLU N N 18 121.984 118.900 3.084 1
1 230 . 17 1 1 A 19 19 PRO HA H 19 4.549 4.220 0.329 1
1 237 . 17 1 1 A 19 19 PRO C C 19 176.737 175.886 0.851 1
1 238 . 17 1 1 A 19 19 PRO CA C 19 63.685 63.792 -0.107 1
1 239 . 17 1 1 A 19 19 PRO CB C 19 30.940 32.321 -1.381 1
1 242 . 17 1 1 A 20 20 ALA H H 20 8.386 8.253 0.133 1
1 243 . 17 1 1 A 20 20 ALA HA H 20 4.536 4.471 0.065 1
1 247 . 17 1 1 A 20 20 ALA C C 20 174.844 176.040 -1.196 1
1 248 . 17 1 1 A 20 20 ALA CA C 20 51.312 51.686 -0.374 1
1 249 . 17 1 1 A 20 20 ALA CB C 20 17.883 17.623 0.260 1
1 250 . 17 1 1 A 20 20 ALA N N 20 126.537 122.391 4.146 1
1 251 . 17 1 1 A 21 21 PHE H H 21 7.244 7.537 -0.293 1
1 252 . 17 1 1 A 21 21 PHE HA H 21 5.485 5.658 -0.173 1
1 260 . 17 1 1 A 21 21 PHE C C 21 173.639 172.747 0.892 1
1 261 . 17 1 1 A 21 21 PHE CA C 21 55.312 56.049 -0.737 1
1 262 . 17 1 1 A 21 21 PHE CB C 21 41.581 41.740 -0.159 1
1 268 . 17 1 1 A 21 21 PHE N N 21 115.447 115.157 0.290 1
1 269 . 17 1 1 A 22 22 THR H H 22 9.203 9.302 -0.099 1
1 270 . 17 1 1 A 22 22 THR HA H 22 4.583 5.189 -0.606 1
1 275 . 17 1 1 A 22 22 THR C C 22 171.987 173.159 -1.172 1
1 276 . 17 1 1 A 22 22 THR CA C 22 62.368 61.601 0.767 1
1 277 . 17 1 1 A 22 22 THR CB C 22 72.961 71.381 1.580 1
1 279 . 17 1 1 A 22 22 THR N N 22 119.035 115.002 4.033 1
1 280 . 17 1 1 A 23 23 ILE H H 23 9.318 9.381 -0.063 1
1 281 . 17 1 1 A 23 23 ILE HA H 23 5.172 5.405 -0.233 1
1 291 . 17 1 1 A 23 23 ILE C C 23 173.969 175.427 -1.458 1
1 292 . 17 1 1 A 23 23 ILE CA C 23 59.958 59.800 0.158 1
1 293 . 17 1 1 A 23 23 ILE CB C 23 40.273 39.630 0.643 1
1 297 . 17 1 1 A 23 23 ILE N N 23 127.452 128.886 -1.434 1
1 298 . 17 1 1 A 24 24 LEU H H 24 9.522 9.478 0.044 1
1 299 . 17 1 1 A 24 24 LEU HA H 24 4.871 5.069 -0.198 1
1 309 . 17 1 1 A 24 24 LEU C C 24 172.823 174.660 -1.837 1
1 310 . 17 1 1 A 24 24 LEU CA C 24 53.100 53.168 -0.068 1
1 311 . 17 1 1 A 24 24 LEU CB C 24 44.522 43.882 0.640 1
1 315 . 17 1 1 A 24 24 LEU N N 24 127.148 127.363 -0.215 1
1 316 . 17 1 1 A 25 25 ASP H H 25 8.325 8.717 -0.392 1
1 317 . 17 1 1 A 25 25 ASP HA H 25 4.112 4.248 -0.136 1
1 320 . 17 1 1 A 25 25 ASP C C 25 177.457 176.948 0.509 1
1 321 . 17 1 1 A 25 25 ASP CA C 25 51.097 52.857 -1.760 1
1 322 . 17 1 1 A 25 25 ASP CB C 25 43.056 40.888 2.168 1
1 323 . 17 1 1 A 25 25 ASP N N 25 122.856 124.757 -1.901 1
1 324 . 17 1 1 A 26 26 VAL H H 26 7.924 8.172 -0.248 1
1 325 . 17 1 1 A 26 26 VAL HA H 26 4.964 4.875 0.089 1
1 333 . 17 1 1 A 26 26 VAL C C 26 176.585 176.631 -0.046 1
1 334 . 17 1 1 A 26 26 VAL CA C 26 59.554 61.146 -1.592 1
1 335 . 17 1 1 A 26 26 VAL CB C 26 30.002 31.923 -1.921 1
1 338 . 17 1 1 A 26 26 VAL N N 26 117.391 119.487 -2.096 1
1 339 . 17 1 1 A 27 27 ARG H H 27 7.773 8.033 -0.260 1
1 340 . 17 1 1 A 27 27 ARG HA H 27 4.418 4.092 0.326 1
1 352 . 17 1 1 A 27 27 ARG C C 27 173.931 175.663 -1.732 1
1 353 . 17 1 1 A 27 27 ARG CA C 27 55.487 58.667 -3.180 1
1 354 . 17 1 1 A 27 27 ARG CB C 27 30.337 29.965 0.372 1
1 357 . 17 1 1 A 27 27 ARG N N 27 121.126 121.701 -0.575 1
1 361 . 17 1 1 A 28 28 ASP H H 28 7.792 7.749 0.043 1
1 362 . 17 1 1 A 28 28 ASP HA H 28 4.431 4.804 -0.373 1
1 365 . 17 1 1 A 28 28 ASP C C 28 176.402 175.803 0.599 1
1 366 . 17 1 1 A 28 28 ASP CA C 28 54.427 53.877 0.550 1
1 367 . 17 1 1 A 28 28 ASP CB C 28 41.498 44.199 -2.701 1
1 368 . 17 1 1 A 28 28 ASP N N 28 115.368 118.045 -2.677 1
1 369 . 17 1 1 A 29 29 ARG H H 29 8.781 8.723 0.058 1
1 370 . 17 1 1 A 29 29 ARG HA H 29 3.853 3.922 -0.069 1
1 378 . 17 1 1 A 29 29 ARG C C 29 177.811 177.686 0.125 1
1 379 . 17 1 1 A 29 29 ARG CA C 29 58.920 59.653 -0.733 1
1 380 . 17 1 1 A 29 29 ARG CB C 29 29.762 30.121 -0.359 1
1 383 . 17 1 1 A 29 29 ARG N N 29 121.538 125.576 -4.038 1
1 385 . 17 1 1 A 30 30 SER H H 30 8.478 8.186 0.292 1
1 386 . 17 1 1 A 30 30 SER HA H 30 4.190 4.243 -0.053 1
1 389 . 17 1 1 A 30 30 SER C C 30 176.814 176.351 0.463 1
1 390 . 17 1 1 A 30 30 SER CA C 30 61.929 62.609 -0.680 1
1 391 . 17 1 1 A 30 30 SER CB C 30 62.051 63.061 -1.010 1
1 392 . 17 1 1 A 30 30 SER N N 30 113.937 117.083 -3.146 1
1 393 . 17 1 1 A 31 31 THR H H 31 7.724 7.854 -0.130 1
1 394 . 17 1 1 A 31 31 THR HA H 31 4.096 4.149 -0.053 1
1 399 . 17 1 1 A 31 31 THR C C 31 176.940 175.944 0.996 1
1 400 . 17 1 1 A 31 31 THR CA C 31 66.078 66.495 -0.417 1
1 401 . 17 1 1 A 31 31 THR CB C 31 67.583 68.323 -0.740 1
1 403 . 17 1 1 A 31 31 THR N N 31 120.025 117.447 2.578 1
1 404 . 17 1 1 A 32 32 TYR H H 32 8.186 8.421 -0.235 1
1 405 . 17 1 1 A 32 32 TYR HA H 32 4.009 4.067 -0.058 1
1 410 . 17 1 1 A 32 32 TYR C C 32 180.166 177.148 3.018 1
1 411 . 17 1 1 A 32 32 TYR CA C 32 61.797 62.480 -0.683 1
1 412 . 17 1 1 A 32 32 TYR CB C 32 37.300 38.526 -1.226 1
1 415 . 17 1 1 A 32 32 TYR N N 32 123.636 122.232 1.404 1
1 416 . 17 1 1 A 33 33 ASN H H 33 8.838 8.198 0.640 1
1 417 . 17 1 1 A 33 33 ASN HA H 33 4.435 4.237 0.198 1
1 422 . 17 1 1 A 33 33 ASN C C 33 176.730 178.063 -1.333 1
1 423 . 17 1 1 A 33 33 ASN CA C 33 55.167 56.279 -1.112 1
1 424 . 17 1 1 A 33 33 ASN CB C 33 37.308 37.641 -0.333 1
1 425 . 17 1 1 A 33 33 ASN N N 33 122.000 118.019 3.981 1
1 427 . 17 1 1 A 34 34 ASP H H 34 7.510 8.138 -0.628 1
1 428 . 17 1 1 A 34 34 ASP HA H 34 4.587 4.418 0.169 1
1 431 . 17 1 1 A 34 34 ASP C C 34 177.045 176.809 0.236 1
1 432 . 17 1 1 A 34 34 ASP CA C 34 56.487 56.944 -0.457 1
1 433 . 17 1 1 A 34 34 ASP CB C 34 40.822 41.388 -0.566 1
1 434 . 17 1 1 A 34 34 ASP N N 34 119.832 117.452 2.380 1
1 435 . 17 1 1 A 35 35 GLY H H 35 7.412 7.649 -0.237 1
1 436 . 17 1 1 A 35 35 GLY HA2 H 35 3.997 4.022 -0.025 1
1 437 . 17 1 1 A 35 35 GLY HA3 H 35 3.997 4.076 -0.079 1
1 438 . 17 1 1 A 35 35 GLY C C 35 171.246 171.713 -0.467 1
1 439 . 17 1 1 A 35 35 GLY CA C 35 46.441 45.671 0.770 1
1 440 . 17 1 1 A 35 35 GLY N N 35 106.611 102.822 3.789 1
1 441 . 17 1 1 A 36 36 HIS H H 36 8.441 8.817 -0.376 1
1 442 . 17 1 1 A 36 36 HIS HA H 36 4.782 5.291 -0.509 1
1 447 . 17 1 1 A 36 36 HIS C C 36 172.800 173.394 -0.594 1
1 448 . 17 1 1 A 36 36 HIS CA C 36 53.425 54.355 -0.930 1
1 449 . 17 1 1 A 36 36 HIS CB C 36 31.978 31.459 0.519 1
1 452 . 17 1 1 A 36 36 HIS N N 36 117.929 119.054 -1.125 1
1 455 . 17 1 1 A 37 37 ILE H H 37 8.087 9.160 -1.073 1
1 456 . 17 1 1 A 37 37 ILE HA H 37 3.223 3.641 -0.418 1
1 466 . 17 1 1 A 37 37 ILE C C 37 175.423 176.174 -0.751 1
1 467 . 17 1 1 A 37 37 ILE CA C 37 64.607 61.915 2.692 1
1 468 . 17 1 1 A 37 37 ILE CB C 37 37.269 37.572 -0.303 1
1 472 . 17 1 1 A 37 37 ILE N N 37 120.831 121.017 -0.186 1
1 473 . 17 1 1 A 38 38 MET H H 38 7.625 8.489 -0.864 1
1 474 . 17 1 1 A 38 38 MET HA H 38 3.953 4.259 -0.306 1
1 482 . 17 1 1 A 38 38 MET C C 38 174.632 177.184 -2.552 1
1 483 . 17 1 1 A 38 38 MET CA C 38 57.865 57.092 0.773 1
1 484 . 17 1 1 A 38 38 MET CB C 38 32.882 32.188 0.694 1
1 487 . 17 1 1 A 38 38 MET N N 38 128.683 125.814 2.869 1
1 488 . 17 1 1 A 39 39 GLY H H 39 8.795 8.851 -0.056 1
1 489 . 17 1 1 A 39 39 GLY HA2 H 39 3.727 3.907 -0.180 1
1 490 . 17 1 1 A 39 39 GLY HA3 H 39 4.345 3.939 0.406 1
1 491 . 17 1 1 A 39 39 GLY C C 39 175.442 174.736 0.706 1
1 492 . 17 1 1 A 39 39 GLY CA C 39 44.964 45.972 -1.008 1
1 493 . 17 1 1 A 39 39 GLY N N 39 113.814 114.439 -0.625 1
1 494 . 17 1 1 A 40 40 ALA H H 40 8.566 8.170 0.396 1
1 495 . 17 1 1 A 40 40 ALA HA H 40 4.656 4.622 0.034 1
1 499 . 17 1 1 A 40 40 ALA C C 40 177.459 176.818 0.641 1
1 500 . 17 1 1 A 40 40 ALA CA C 40 52.139 52.033 0.106 1
1 501 . 17 1 1 A 40 40 ALA CB C 40 20.657 20.770 -0.113 1
1 502 . 17 1 1 A 40 40 ALA N N 40 122.444 123.775 -1.331 1
1 503 . 17 1 1 A 41 41 MET H H 41 9.268 8.974 0.294 1
1 504 . 17 1 1 A 41 41 MET HA H 41 4.478 4.927 -0.449 1
1 512 . 17 1 1 A 41 41 MET C C 41 174.328 175.279 -0.951 1
1 513 . 17 1 1 A 41 41 MET CA C 41 54.330 53.856 0.474 1
1 514 . 17 1 1 A 41 41 MET CB C 41 34.473 33.327 1.146 1
1 517 . 17 1 1 A 41 41 MET N N 41 123.908 119.492 4.416 1
1 518 . 17 1 1 A 42 42 ALA H H 42 8.162 8.313 -0.151 1
1 519 . 17 1 1 A 42 42 ALA HA H 42 3.870 3.557 0.313 1
1 523 . 17 1 1 A 42 42 ALA C C 42 177.157 176.321 0.836 1
1 524 . 17 1 1 A 42 42 ALA CA C 42 51.888 51.224 0.664 1
1 525 . 17 1 1 A 42 42 ALA CB C 42 16.282 17.757 -1.475 1
1 526 . 17 1 1 A 42 42 ALA N N 42 126.936 125.160 1.776 1
1 527 . 17 1 1 A 43 43 MET H H 43 8.109 7.836 0.273 1
1 528 . 17 1 1 A 43 43 MET HA H 43 4.386 4.941 -0.555 1
1 536 . 17 1 1 A 43 43 MET C C 43 168.952 173.476 -4.524 1
1 537 . 17 1 1 A 43 43 MET CA C 43 53.535 52.491 1.044 1
1 538 . 17 1 1 A 43 43 MET CB C 43 34.346 32.885 1.461 1
1 541 . 17 1 1 A 43 43 MET N N 43 125.282 123.083 2.199 1
1 542 . 17 1 1 A 44 44 PRO HA H 44 3.949 4.587 -0.638 1
1 549 . 17 1 1 A 44 44 PRO C C 44 179.070 177.900 1.170 1
1 550 . 17 1 1 A 44 44 PRO CA C 44 62.524 62.675 -0.151 1
1 551 . 17 1 1 A 44 44 PRO CB C 44 32.611 32.526 0.085 1
1 554 . 17 1 1 A 45 45 ILE H H 45 7.764 8.956 -1.192 1
1 555 . 17 1 1 A 45 45 ILE HA H 45 3.851 3.908 -0.057 1
1 565 . 17 1 1 A 45 45 ILE C C 45 175.827 177.712 -1.885 1
1 566 . 17 1 1 A 45 45 ILE CA C 45 64.676 63.381 1.295 1
1 567 . 17 1 1 A 45 45 ILE CB C 45 38.991 38.021 0.970 1
1 571 . 17 1 1 A 45 45 ILE N N 45 121.655 124.906 -3.251 1
1 572 . 17 1 1 A 46 46 GLU H H 46 9.102 8.212 0.890 1
1 573 . 17 1 1 A 46 46 GLU HA H 46 4.056 4.045 0.011 1
1 578 . 17 1 1 A 46 46 GLU C C 46 176.499 177.434 -0.935 1
1 579 . 17 1 1 A 46 46 GLU CA C 46 59.349 59.505 -0.156 1
1 580 . 17 1 1 A 46 46 GLU CB C 46 28.456 29.490 -1.034 1
1 582 . 17 1 1 A 46 46 GLU N N 46 121.004 122.057 -1.053 1
1 583 . 17 1 1 A 47 47 ASP H H 47 7.729 7.623 0.106 1
1 584 . 17 1 1 A 47 47 ASP HA H 47 5.059 4.760 0.299 1
1 587 . 17 1 1 A 47 47 ASP C C 47 175.683 176.882 -1.199 1
1 588 . 17 1 1 A 47 47 ASP CA C 47 53.266 53.708 -0.442 1
1 589 . 17 1 1 A 47 47 ASP CB C 47 42.048 40.971 1.077 1
1 590 . 17 1 1 A 47 47 ASP N N 47 117.171 118.694 -1.523 1
1 591 . 17 1 1 A 48 48 LEU H H 48 7.193 7.646 -0.453 1
1 592 . 17 1 1 A 48 48 LEU HA H 48 3.690 3.871 -0.181 1
1 602 . 17 1 1 A 48 48 LEU C C 48 176.829 178.213 -1.384 1
1 603 . 17 1 1 A 48 48 LEU CA C 48 58.905 58.539 0.366 1
1 604 . 17 1 1 A 48 48 LEU CB C 48 43.334 41.751 1.583 1
1 608 . 17 1 1 A 48 48 LEU N N 48 121.314 121.221 0.093 1
1 609 . 17 1 1 A 49 49 VAL H H 49 8.507 8.090 0.417 1
1 610 . 17 1 1 A 49 49 VAL HA H 49 3.290 3.458 -0.168 1
1 618 . 17 1 1 A 49 49 VAL C C 49 178.915 177.460 1.455 1
1 619 . 17 1 1 A 49 49 VAL CA C 49 67.886 66.928 0.958 1
1 620 . 17 1 1 A 49 49 VAL CB C 49 30.881 31.700 -0.819 1
1 623 . 17 1 1 A 49 49 VAL N N 49 116.698 119.416 -2.718 1
1 624 . 17 1 1 A 50 50 ASP H H 50 8.474 8.269 0.205 1
1 625 . 17 1 1 A 50 50 ASP HA H 50 4.396 4.343 0.053 1
1 628 . 17 1 1 A 50 50 ASP C C 50 178.890 178.989 -0.099 1
1 629 . 17 1 1 A 50 50 ASP CA C 50 57.477 57.452 0.025 1
1 630 . 17 1 1 A 50 50 ASP CB C 50 40.945 40.304 0.641 1
1 631 . 17 1 1 A 50 50 ASP N N 50 121.526 119.490 2.036 1
1 632 . 17 1 1 A 51 51 ARG H H 51 8.334 8.381 -0.047 1
1 633 . 17 1 1 A 51 51 ARG HA H 51 4.079 3.980 0.099 1
1 641 . 17 1 1 A 51 51 ARG C C 51 179.634 178.875 0.759 1
1 642 . 17 1 1 A 51 51 ARG CA C 51 58.378 59.697 -1.319 1
1 643 . 17 1 1 A 51 51 ARG CB C 51 29.692 30.221 -0.529 1
1 646 . 17 1 1 A 51 51 ARG N N 51 118.666 119.203 -0.537 1
1 648 . 17 1 1 A 52 52 ALA H H 52 9.250 8.018 1.232 1
1 649 . 17 1 1 A 52 52 ALA HA H 52 3.752 4.136 -0.384 1
1 653 . 17 1 1 A 52 52 ALA C C 52 179.710 180.025 -0.315 1
1 654 . 17 1 1 A 52 52 ALA CA C 52 55.830 55.268 0.562 1
1 655 . 17 1 1 A 52 52 ALA CB C 52 18.164 17.931 0.233 1
1 656 . 17 1 1 A 52 52 ALA N N 52 124.004 121.735 2.269 1
1 657 . 17 1 1 A 53 53 SER H H 53 8.392 8.123 0.269 1
1 658 . 17 1 1 A 53 53 SER HA H 53 4.457 4.260 0.197 1
1 661 . 17 1 1 A 53 53 SER C C 53 175.807 176.651 -0.844 1
1 662 . 17 1 1 A 53 53 SER CA C 53 62.214 61.428 0.786 1
1 663 . 17 1 1 A 53 53 SER CB C 53 62.805 63.347 -0.542 1
1 664 . 17 1 1 A 53 53 SER N N 53 111.154 113.985 -2.831 1
1 665 . 17 1 1 A 54 54 SER H H 54 7.570 7.973 -0.403 1
1 666 . 17 1 1 A 54 54 SER HA H 54 4.512 4.247 0.265 1
1 669 . 17 1 1 A 54 54 SER C C 54 175.210 176.864 -1.654 1
1 670 . 17 1 1 A 54 54 SER CA C 54 59.567 61.420 -1.853 1
1 671 . 17 1 1 A 54 54 SER CB C 54 63.902 62.757 1.145 1
1 672 . 17 1 1 A 54 54 SER N N 54 112.745 116.001 -3.256 1
1 673 . 17 1 1 A 55 55 SER H H 55 7.501 7.581 -0.080 1
1 674 . 17 1 1 A 55 55 SER HA H 55 4.744 4.470 0.274 1
1 677 . 17 1 1 A 55 55 SER C C 55 173.106 174.014 -0.908 1
1 678 . 17 1 1 A 55 55 SER CA C 55 59.905 61.018 -1.113 1
1 679 . 17 1 1 A 55 55 SER CB C 55 65.881 63.947 1.934 1
1 680 . 17 1 1 A 55 55 SER N N 55 113.238 114.401 -1.163 1
1 681 . 17 1 1 A 56 56 LEU H H 56 8.320 7.946 0.374 1
1 682 . 17 1 1 A 56 56 LEU HA H 56 4.823 4.811 0.012 1
1 692 . 17 1 1 A 56 56 LEU C C 56 175.441 176.541 -1.100 1
1 693 . 17 1 1 A 56 56 LEU CA C 56 53.476 53.124 0.352 1
1 694 . 17 1 1 A 56 56 LEU CB C 56 44.655 44.488 0.167 1
1 698 . 17 1 1 A 56 56 LEU N N 56 122.043 118.455 3.588 1
1 699 . 17 1 1 A 57 57 GLU H H 57 8.510 8.980 -0.470 1
1 700 . 17 1 1 A 57 57 GLU HA H 57 4.334 4.486 -0.152 1
1 705 . 17 1 1 A 57 57 GLU C C 57 177.869 176.611 1.258 1
1 706 . 17 1 1 A 57 57 GLU CA C 57 55.911 55.483 0.428 1
1 707 . 17 1 1 A 57 57 GLU CB C 57 30.193 30.905 -0.712 1
1 709 . 17 1 1 A 57 57 GLU N N 57 121.479 120.798 0.681 1
1 710 . 17 1 1 A 58 58 LYS H H 58 8.513 8.633 -0.120 1
1 711 . 17 1 1 A 58 58 LYS HA H 58 3.811 4.010 -0.199 1
1 720 . 17 1 1 A 58 58 LYS C C 58 178.345 177.241 1.104 1
1 721 . 17 1 1 A 58 58 LYS CA C 58 58.526 56.695 1.831 1
1 722 . 17 1 1 A 58 58 LYS CB C 58 31.265 32.782 -1.517 1
1 726 . 17 1 1 A 58 58 LYS N N 58 120.689 122.217 -1.528 1
1 727 . 17 1 1 A 59 59 SER H H 59 7.912 7.484 0.428 1
1 728 . 17 1 1 A 59 59 SER HA H 59 4.437 4.295 0.142 1
1 731 . 17 1 1 A 59 59 SER C C 59 174.216 174.169 0.047 1
1 732 . 17 1 1 A 59 59 SER CA C 59 57.862 58.462 -0.600 1
1 733 . 17 1 1 A 59 59 SER CB C 59 63.682 63.664 0.018 1
1 734 . 17 1 1 A 59 59 SER N N 59 111.530 113.059 -1.529 1
1 735 . 17 1 1 A 60 60 ARG H H 60 7.477 7.671 -0.194 1
1 736 . 17 1 1 A 60 60 ARG HA H 60 4.199 4.200 -0.001 1
1 744 . 17 1 1 A 60 60 ARG C C 60 174.880 175.937 -1.057 1
1 745 . 17 1 1 A 60 60 ARG CA C 60 55.828 56.159 -0.331 1
1 746 . 17 1 1 A 60 60 ARG CB C 60 31.971 30.594 1.377 1
1 749 . 17 1 1 A 60 60 ARG N N 60 125.535 123.564 1.971 1
1 751 . 17 1 1 A 61 61 ASP H H 61 8.540 8.614 -0.074 1
1 752 . 17 1 1 A 61 61 ASP HA H 61 4.903 4.927 -0.024 1
1 755 . 17 1 1 A 61 61 ASP C C 61 175.569 175.722 -0.153 1
1 756 . 17 1 1 A 61 61 ASP CA C 61 55.438 54.449 0.989 1
1 757 . 17 1 1 A 61 61 ASP CB C 61 40.847 40.129 0.718 1
1 758 . 17 1 1 A 61 61 ASP N N 61 126.761 124.516 2.245 1
1 759 . 17 1 1 A 62 62 ILE H H 62 8.630 9.227 -0.597 1
1 760 . 17 1 1 A 62 62 ILE HA H 62 5.038 5.260 -0.222 1
1 770 . 17 1 1 A 62 62 ILE C C 62 174.444 174.328 0.116 1
1 771 . 17 1 1 A 62 62 ILE CA C 62 59.799 60.560 -0.761 1
1 772 . 17 1 1 A 62 62 ILE CB C 62 42.130 39.579 2.551 1
1 776 . 17 1 1 A 62 62 ILE N N 62 125.212 125.280 -0.068 1
1 777 . 17 1 1 A 63 63 TYR H H 63 9.026 9.482 -0.456 1
1 778 . 17 1 1 A 63 63 TYR HA H 63 5.230 5.302 -0.072 1
1 785 . 17 1 1 A 63 63 TYR C C 63 175.088 174.426 0.662 1
1 786 . 17 1 1 A 63 63 TYR CA C 63 56.143 56.732 -0.589 1
1 787 . 17 1 1 A 63 63 TYR CB C 63 41.302 40.222 1.080 1
1 792 . 17 1 1 A 63 63 TYR N N 63 125.467 127.255 -1.788 1
1 793 . 17 1 1 A 64 64 VAL H H 64 8.523 9.092 -0.569 1
1 794 . 17 1 1 A 64 64 VAL HA H 64 5.106 4.998 0.108 1
1 802 . 17 1 1 A 64 64 VAL C C 64 174.072 174.977 -0.905 1
1 803 . 17 1 1 A 64 64 VAL CA C 64 60.302 61.737 -1.435 1
1 804 . 17 1 1 A 64 64 VAL CB C 64 35.121 33.192 1.929 1
1 807 . 17 1 1 A 64 64 VAL N N 64 121.014 123.615 -2.601 1
1 808 . 17 1 1 A 65 65 TYR H H 65 8.832 9.188 -0.356 1
1 809 . 17 1 1 A 65 65 TYR HA H 65 5.289 5.542 -0.253 1
1 816 . 17 1 1 A 65 65 TYR C C 65 172.116 173.545 -1.429 1
1 817 . 17 1 1 A 65 65 TYR CA C 65 56.777 55.360 1.417 1
1 818 . 17 1 1 A 65 65 TYR CB C 65 42.528 41.535 0.993 1
1 819 . 17 1 1 A 65 65 TYR N N 65 120.331 122.747 -2.416 1
1 820 . 17 1 1 A 66 66 GLY H H 66 8.278 9.183 -0.905 1
1 821 . 17 1 1 A 66 66 GLY HA2 H 66 3.449 4.003 -0.554 1
1 822 . 17 1 1 A 66 66 GLY HA3 H 66 4.408 4.108 0.300 1
1 823 . 17 1 1 A 66 66 GLY C C 66 173.636 174.867 -1.231 1
1 824 . 17 1 1 A 66 66 GLY CA C 66 43.793 44.019 -0.226 1
1 825 . 17 1 1 A 66 66 GLY N N 66 108.458 109.407 -0.949 1
1 826 . 17 1 1 A 67 67 ALA H H 67 9.485 8.755 0.730 1
1 827 . 17 1 1 A 67 67 ALA HA H 67 4.331 4.129 0.202 1
1 831 . 17 1 1 A 67 67 ALA C C 67 176.363 177.833 -1.470 1
1 832 . 17 1 1 A 67 67 ALA CA C 67 52.848 54.956 -2.108 1
1 833 . 17 1 1 A 67 67 ALA CB C 67 18.178 19.480 -1.302 1
1 834 . 17 1 1 A 67 67 ALA N N 67 126.325 121.857 4.468 1
1 835 . 17 1 1 A 68 68 GLY H H 68 7.553 7.949 -0.396 1
1 836 . 17 1 1 A 68 68 GLY HA2 H 68 4.270 4.131 0.139 1
1 837 . 17 1 1 A 68 68 GLY HA3 H 68 4.209 4.142 0.067 1
1 838 . 17 1 1 A 68 68 GLY C C 68 173.695 174.826 -1.131 1
1 839 . 17 1 1 A 68 68 GLY CA C 68 44.112 43.642 0.470 1
1 840 . 17 1 1 A 68 68 GLY N N 68 106.057 106.232 -0.175 1
1 841 . 17 1 1 A 69 69 ASP H H 69 8.904 8.926 -0.022 1
1 842 . 17 1 1 A 69 69 ASP HA H 69 4.408 4.301 0.107 1
1 845 . 17 1 1 A 69 69 ASP C C 69 178.531 177.837 0.694 1
1 846 . 17 1 1 A 69 69 ASP CA C 69 57.592 57.427 0.165 1
1 847 . 17 1 1 A 69 69 ASP CB C 69 40.198 40.966 -0.768 1
1 848 . 17 1 1 A 69 69 ASP N N 69 121.078 120.207 0.871 1
1 849 . 17 1 1 A 70 70 GLU H H 70 8.905 8.266 0.639 1
1 850 . 17 1 1 A 70 70 GLU HA H 70 4.110 3.997 0.113 1
1 855 . 17 1 1 A 70 70 GLU C C 70 178.745 178.754 -0.009 1
1 856 . 17 1 1 A 70 70 GLU CA C 70 59.956 59.712 0.244 1
1 857 . 17 1 1 A 70 70 GLU CB C 70 28.534 29.158 -0.624 1
1 859 . 17 1 1 A 70 70 GLU N N 70 120.998 119.105 1.893 1
1 860 . 17 1 1 A 71 71 GLN H H 71 8.453 7.770 0.683 1
1 861 . 17 1 1 A 71 71 GLN HA H 71 4.106 4.045 0.061 1
1 868 . 17 1 1 A 71 71 GLN C C 71 178.164 178.584 -0.420 1
1 869 . 17 1 1 A 71 71 GLN CA C 71 59.350 58.653 0.697 1
1 870 . 17 1 1 A 71 71 GLN CB C 71 29.682 28.290 1.392 1
1 872 . 17 1 1 A 71 71 GLN N N 71 121.273 118.776 2.497 1
1 874 . 17 1 1 A 72 72 THR H H 72 8.267 8.019 0.248 1
1 875 . 17 1 1 A 72 72 THR HA H 72 3.524 3.866 -0.342 1
1 880 . 17 1 1 A 72 72 THR C C 72 175.546 176.448 -0.902 1
1 881 . 17 1 1 A 72 72 THR CA C 72 67.395 66.463 0.932 1
1 882 . 17 1 1 A 72 72 THR CB C 72 68.145 68.539 -0.394 1
1 884 . 17 1 1 A 72 72 THR N N 72 115.641 117.049 -1.408 1
1 885 . 17 1 1 A 73 73 SER H H 73 8.265 8.204 0.061 1
1 886 . 17 1 1 A 73 73 SER HA H 73 4.029 4.140 -0.111 1
1 889 . 17 1 1 A 73 73 SER C C 73 176.825 177.203 -0.378 1
1 890 . 17 1 1 A 73 73 SER CA C 73 61.746 61.265 0.481 1
1 891 . 17 1 1 A 73 73 SER CB C 73 62.746 63.017 -0.271 1
1 892 . 17 1 1 A 73 73 SER N N 73 115.814 114.961 0.853 1
1 893 . 17 1 1 A 74 74 GLN H H 74 8.119 7.970 0.149 1
1 894 . 17 1 1 A 74 74 GLN HA H 74 4.090 4.044 0.046 1
1 901 . 17 1 1 A 74 74 GLN C C 74 178.630 177.781 0.849 1
1 902 . 17 1 1 A 74 74 GLN CA C 74 58.903 58.474 0.429 1
1 903 . 17 1 1 A 74 74 GLN CB C 74 27.943 28.884 -0.941 1
1 905 . 17 1 1 A 74 74 GLN N N 74 121.446 120.353 1.093 1
1 907 . 17 1 1 A 75 75 ALA H H 75 8.210 7.955 0.255 1
1 908 . 17 1 1 A 75 75 ALA HA H 75 3.879 4.033 -0.154 1
1 912 . 17 1 1 A 75 75 ALA C C 75 178.843 179.909 -1.066 1
1 913 . 17 1 1 A 75 75 ALA CA C 75 54.959 55.217 -0.258 1
1 914 . 17 1 1 A 75 75 ALA CB C 75 20.226 18.230 1.996 1
1 915 . 17 1 1 A 75 75 ALA N N 75 121.007 121.817 -0.810 1
1 916 . 17 1 1 A 76 76 VAL H H 76 8.257 8.028 0.229 1
1 917 . 17 1 1 A 76 76 VAL HA H 76 3.472 3.442 0.030 1
1 925 . 17 1 1 A 76 76 VAL C C 76 177.639 178.104 -0.465 1
1 926 . 17 1 1 A 76 76 VAL CA C 76 67.080 66.818 0.262 1
1 927 . 17 1 1 A 76 76 VAL CB C 76 30.945 31.413 -0.468 1
1 930 . 17 1 1 A 76 76 VAL N N 76 116.281 119.172 -2.891 1
1 931 . 17 1 1 A 77 77 ASN H H 77 8.190 8.071 0.119 1
1 932 . 17 1 1 A 77 77 ASN HA H 77 4.430 4.376 0.054 1
1 937 . 17 1 1 A 77 77 ASN C C 77 178.638 177.822 0.816 1
1 938 . 17 1 1 A 77 77 ASN CA C 77 56.666 56.775 -0.109 1
1 939 . 17 1 1 A 77 77 ASN CB C 77 37.950 39.177 -1.227 1
1 940 . 17 1 1 A 77 77 ASN N N 77 118.786 118.862 -0.076 1
1 942 . 17 1 1 A 78 78 LEU H H 78 8.222 8.163 0.059 1
1 943 . 17 1 1 A 78 78 LEU HA H 78 4.045 4.002 0.043 1
1 953 . 17 1 1 A 78 78 LEU C C 78 180.246 179.476 0.770 1
1 954 . 17 1 1 A 78 78 LEU CA C 78 57.926 58.208 -0.282 1
1 955 . 17 1 1 A 78 78 LEU CB C 78 41.892 41.630 0.262 1
1 959 . 17 1 1 A 78 78 LEU N N 78 121.759 119.985 1.774 1
1 960 . 17 1 1 A 79 79 LEU H H 79 7.887 8.067 -0.180 1
1 961 . 17 1 1 A 79 79 LEU HA H 79 4.051 3.754 0.297 1
1 971 . 17 1 1 A 79 79 LEU C C 79 179.804 179.524 0.280 1
1 972 . 17 1 1 A 79 79 LEU CA C 79 57.788 58.102 -0.314 1
1 973 . 17 1 1 A 79 79 LEU CB C 79 41.616 41.241 0.375 1
1 977 . 17 1 1 A 79 79 LEU N N 79 118.127 119.030 -0.903 1
1 978 . 17 1 1 A 80 80 ARG H H 80 8.942 8.160 0.782 1
1 979 . 17 1 1 A 80 80 ARG HA H 80 4.516 4.480 0.036 1
1 987 . 17 1 1 A 80 80 ARG C C 80 181.546 178.534 3.012 1
1 988 . 17 1 1 A 80 80 ARG CA C 80 60.006 58.700 1.306 1
1 989 . 17 1 1 A 80 80 ARG CB C 80 29.510 29.888 -0.378 1
1 992 . 17 1 1 A 80 80 ARG N N 80 120.974 118.873 2.101 1
1 994 . 17 1 1 A 81 81 SER H H 81 8.394 8.186 0.208 1
1 995 . 17 1 1 A 81 81 SER HA H 81 4.307 4.173 0.134 1
1 998 . 17 1 1 A 81 81 SER C C 81 174.601 176.742 -2.141 1
1 999 . 17 1 1 A 81 81 SER CA C 81 61.570 61.709 -0.139 1
1 1000 . 17 1 1 A 81 81 SER CB C 81 62.832 63.000 -0.168 1
1 1001 . 17 1 1 A 81 81 SER N N 81 116.329 115.552 0.777 1
1 1002 . 17 1 1 A 82 82 ALA H H 82 7.507 7.607 -0.100 1
1 1003 . 17 1 1 A 82 82 ALA HA H 82 4.546 4.410 0.136 1
1 1007 . 17 1 1 A 82 82 ALA C C 82 176.449 177.892 -1.443 1
1 1008 . 17 1 1 A 82 82 ALA CA C 82 51.759 52.137 -0.378 1
1 1009 . 17 1 1 A 82 82 ALA CB C 82 18.850 19.380 -0.530 1
1 1010 . 17 1 1 A 82 82 ALA N N 82 122.576 119.403 3.173 1
1 1011 . 17 1 1 A 83 83 GLY H H 83 7.678 8.192 -0.514 1
1 1012 . 17 1 1 A 83 83 GLY HA2 H 83 3.623 3.928 -0.305 1
1 1013 . 17 1 1 A 83 83 GLY HA3 H 83 4.217 3.978 0.239 1
1 1014 . 17 1 1 A 83 83 GLY C C 83 174.557 174.933 -0.376 1
1 1015 . 17 1 1 A 83 83 GLY CA C 83 44.741 45.098 -0.357 1
1 1016 . 17 1 1 A 83 83 GLY N N 83 104.117 106.505 -2.388 1
1 1017 . 17 1 1 A 84 84 PHE H H 84 7.923 8.119 -0.196 1
1 1018 . 17 1 1 A 84 84 PHE HA H 84 4.254 4.386 -0.132 1
1 1026 . 17 1 1 A 84 84 PHE C C 84 176.479 176.158 0.321 1
1 1027 . 17 1 1 A 84 84 PHE CA C 84 60.127 59.222 0.905 1
1 1028 . 17 1 1 A 84 84 PHE CB C 84 36.999 38.591 -1.592 1
1 1034 . 17 1 1 A 84 84 PHE N N 84 119.861 119.746 0.115 1
1 1035 . 17 1 1 A 85 85 GLU H H 85 7.730 9.085 -1.355 1
1 1036 . 17 1 1 A 85 85 GLU HA H 85 3.965 4.252 -0.287 1
1 1041 . 17 1 1 A 85 85 GLU C C 85 176.966 177.327 -0.361 1
1 1042 . 17 1 1 A 85 85 GLU CA C 85 57.841 59.476 -1.635 1
1 1043 . 17 1 1 A 85 85 GLU CB C 85 32.054 29.984 2.070 1
1 1045 . 17 1 1 A 85 85 GLU N N 85 122.200 124.962 -2.762 1
1 1046 . 17 1 1 A 86 86 HIS H H 86 9.957 7.835 2.122 1
1 1047 . 17 1 1 A 86 86 HIS HA H 86 4.988 4.858 0.130 1
1 1052 . 17 1 1 A 86 86 HIS C C 86 171.400 174.409 -3.009 1
1 1053 . 17 1 1 A 86 86 HIS CA C 86 53.063 54.872 -1.809 1
1 1054 . 17 1 1 A 86 86 HIS CB C 86 29.823 28.178 1.645 1
1 1057 . 17 1 1 A 86 86 HIS N N 86 122.245 117.515 4.730 1
1 1060 . 17 1 1 A 87 87 VAL H H 87 8.233 8.796 -0.563 1
1 1061 . 17 1 1 A 87 87 VAL HA H 87 4.934 4.924 0.010 1
1 1069 . 17 1 1 A 87 87 VAL C C 87 175.510 174.004 1.506 1
1 1070 . 17 1 1 A 87 87 VAL CA C 87 59.972 61.006 -1.034 1
1 1071 . 17 1 1 A 87 87 VAL CB C 87 33.883 34.532 -0.649 1
1 1074 . 17 1 1 A 87 87 VAL N N 87 120.946 125.421 -4.475 1
1 1075 . 17 1 1 A 88 88 SER H H 88 8.968 9.031 -0.063 1
1 1076 . 17 1 1 A 88 88 SER HA H 88 4.869 5.191 -0.322 1
1 1079 . 17 1 1 A 88 88 SER C C 88 174.093 172.984 1.109 1
1 1080 . 17 1 1 A 88 88 SER CA C 88 55.935 56.100 -0.165 1
1 1081 . 17 1 1 A 88 88 SER CB C 88 66.077 65.514 0.563 1
1 1082 . 17 1 1 A 88 88 SER N N 88 121.913 122.447 -0.534 1
1 1083 . 17 1 1 A 89 89 GLU H H 89 8.628 8.386 0.242 1
1 1084 . 17 1 1 A 89 89 GLU HA H 89 4.233 4.828 -0.595 1
1 1089 . 17 1 1 A 89 89 GLU C C 89 175.212 175.185 0.027 1
1 1090 . 17 1 1 A 89 89 GLU CA C 89 55.728 55.560 0.168 1
1 1091 . 17 1 1 A 89 89 GLU CB C 89 31.640 30.541 1.099 1
1 1093 . 17 1 1 A 89 89 GLU N N 89 125.288 122.551 2.737 1
1 1094 . 17 1 1 A 90 90 LEU H H 90 8.727 8.914 -0.187 1
1 1095 . 17 1 1 A 90 90 LEU HA H 90 4.829 4.756 0.073 1
1 1105 . 17 1 1 A 90 90 LEU C C 90 175.893 175.024 0.869 1
1 1106 . 17 1 1 A 90 90 LEU CA C 90 53.771 54.621 -0.850 1
1 1107 . 17 1 1 A 90 90 LEU CB C 90 41.511 41.882 -0.371 1
1 1111 . 17 1 1 A 90 90 LEU N N 90 125.766 127.092 -1.326 1
1 1112 . 17 1 1 A 91 91 LYS H H 91 8.715 8.674 0.041 1
1 1113 . 17 1 1 A 91 91 LYS HA H 91 4.164 3.965 0.199 1
1 1122 . 17 1 1 A 91 91 LYS C C 91 177.680 177.445 0.235 1
1 1123 . 17 1 1 A 91 91 LYS CA C 91 57.796 58.463 -0.667 1
1 1124 . 17 1 1 A 91 91 LYS CB C 91 31.705 31.939 -0.234 1
1 1128 . 17 1 1 A 91 91 LYS N N 91 131.405 127.617 3.788 1
1 1129 . 17 1 1 A 92 92 GLY H H 92 9.408 8.520 0.888 1
1 1130 . 17 1 1 A 92 92 GLY HA2 H 92 3.828 3.968 -0.140 1
1 1131 . 17 1 1 A 92 92 GLY HA3 H 92 4.268 3.981 0.287 1
1 1132 . 17 1 1 A 92 92 GLY C C 92 175.634 174.331 1.303 1
1 1133 . 17 1 1 A 92 92 GLY CA C 92 46.001 45.159 0.842 1
1 1134 . 17 1 1 A 92 92 GLY N N 92 115.262 112.362 2.900 1
1 1135 . 17 1 1 A 93 93 GLY H H 93 7.616 8.228 -0.612 1
1 1136 . 17 1 1 A 93 93 GLY HA2 H 93 3.429 4.148 -0.719 1
1 1137 . 17 1 1 A 93 93 GLY HA3 H 93 4.276 4.201 0.075 1
1 1138 . 17 1 1 A 93 93 GLY C C 93 172.357 174.869 -2.512 1
1 1139 . 17 1 1 A 93 93 GLY CA C 93 46.436 45.120 1.316 1
1 1140 . 17 1 1 A 93 93 GLY N N 93 106.201 108.684 -2.483 1
1 1141 . 17 1 1 A 94 94 LEU H H 94 8.854 9.022 -0.168 1
1 1142 . 17 1 1 A 94 94 LEU HA H 94 3.643 4.196 -0.553 1
1 1152 . 17 1 1 A 94 94 LEU C C 94 178.092 178.744 -0.652 1
1 1153 . 17 1 1 A 94 94 LEU CA C 94 56.966 57.456 -0.490 1
1 1154 . 17 1 1 A 94 94 LEU CB C 94 41.937 41.931 0.006 1
1 1158 . 17 1 1 A 94 94 LEU N N 94 124.279 124.127 0.152 1
1 1159 . 17 1 1 A 95 95 ALA H H 95 8.683 8.271 0.412 1
1 1160 . 17 1 1 A 95 95 ALA HA H 95 4.061 3.975 0.086 1
1 1164 . 17 1 1 A 95 95 ALA C C 95 180.877 179.591 1.286 1
1 1165 . 17 1 1 A 95 95 ALA CA C 95 55.406 55.570 -0.164 1
1 1166 . 17 1 1 A 95 95 ALA CB C 95 18.053 17.665 0.388 1
1 1167 . 17 1 1 A 95 95 ALA N N 95 120.253 120.744 -0.491 1
1 1168 . 17 1 1 A 96 96 ALA H H 96 7.249 7.899 -0.650 1
1 1169 . 17 1 1 A 96 96 ALA HA H 96 4.132 4.065 0.067 1
1 1173 . 17 1 1 A 96 96 ALA C C 96 179.350 179.431 -0.081 1
1 1174 . 17 1 1 A 96 96 ALA CA C 96 54.429 55.023 -0.594 1
1 1175 . 17 1 1 A 96 96 ALA CB C 96 18.580 18.395 0.185 1
1 1176 . 17 1 1 A 96 96 ALA N N 96 121.080 120.018 1.062 1
1 1177 . 17 1 1 A 97 97 TRP H H 97 7.636 8.059 -0.423 1
1 1178 . 17 1 1 A 97 97 TRP HA H 97 4.051 4.123 -0.072 1
1 1187 . 17 1 1 A 97 97 TRP C C 97 178.223 178.413 -0.190 1
1 1188 . 17 1 1 A 97 97 TRP CA C 97 59.343 61.668 -2.325 1
1 1189 . 17 1 1 A 97 97 TRP CB C 97 29.734 29.931 -0.197 1
1 1195 . 17 1 1 A 97 97 TRP N N 97 119.015 121.062 -2.047 1
1 1197 . 17 1 1 A 98 98 LYS H H 98 8.764 8.302 0.462 1
1 1198 . 17 1 1 A 98 98 LYS HA H 98 3.886 4.139 -0.253 1
1 1207 . 17 1 1 A 98 98 LYS C C 98 180.503 179.350 1.153 1
1 1208 . 17 1 1 A 98 98 LYS CA C 98 59.365 59.344 0.021 1
1 1209 . 17 1 1 A 98 98 LYS CB C 98 31.899 32.448 -0.549 1
1 1213 . 17 1 1 A 98 98 LYS N N 98 117.855 118.929 -1.074 1
1 1214 . 17 1 1 A 99 99 ALA H H 99 7.802 8.322 -0.520 1
1 1215 . 17 1 1 A 99 99 ALA HA H 99 4.139 4.133 0.006 1
1 1219 . 17 1 1 A 99 99 ALA C C 99 179.188 178.953 0.235 1
1 1220 . 17 1 1 A 99 99 ALA CA C 99 54.521 54.727 -0.206 1
1 1221 . 17 1 1 A 99 99 ALA CB C 99 18.016 18.264 -0.248 1
1 1222 . 17 1 1 A 99 99 ALA N N 99 121.263 122.351 -1.088 1
1 1223 . 17 1 1 A 100 100 ILE H H 100 6.803 7.811 -1.008 1
1 1224 . 17 1 1 A 100 100 ILE HA H 100 4.509 4.124 0.385 1
1 1234 . 17 1 1 A 100 100 ILE C C 100 175.810 176.554 -0.744 1
1 1235 . 17 1 1 A 100 100 ILE CA C 100 59.964 60.695 -0.731 1
1 1236 . 17 1 1 A 100 100 ILE CB C 100 37.866 37.214 0.652 1
1 1240 . 17 1 1 A 100 100 ILE N N 100 107.978 111.428 -3.450 1
1 1241 . 17 1 1 A 101 101 GLY H H 101 7.741 7.916 -0.175 1
1 1242 . 17 1 1 A 101 101 GLY HA2 H 101 3.618 3.925 -0.307 1
1 1243 . 17 1 1 A 101 101 GLY HA3 H 101 3.866 3.931 -0.065 1
1 1244 . 17 1 1 A 101 101 GLY C C 101 175.319 175.229 0.090 1
1 1245 . 17 1 1 A 101 101 GLY CA C 101 45.444 46.603 -1.159 1
1 1246 . 17 1 1 A 101 101 GLY N N 101 109.732 111.039 -1.307 1
1 1247 . 17 1 1 A 102 102 GLY H H 102 7.823 8.053 -0.230 1
1 1248 . 17 1 1 A 102 102 GLY HA2 H 102 2.942 3.146 -0.204 1
1 1249 . 17 1 1 A 102 102 GLY HA3 H 102 2.942 3.733 -0.791 1
1 1250 . 17 1 1 A 102 102 GLY C C 102 171.578 173.115 -1.537 1
1 1251 . 17 1 1 A 102 102 GLY CA C 102 41.964 44.099 -2.135 1
1 1252 . 17 1 1 A 102 102 GLY N N 102 108.608 107.678 0.930 1
1 1253 . 17 1 1 A 103 103 PRO HA H 103 4.643 4.819 -0.176 1
1 1260 . 17 1 1 A 103 103 PRO C C 103 178.778 176.812 1.966 1
1 1261 . 17 1 1 A 103 103 PRO CA C 103 62.843 62.997 -0.154 1
1 1262 . 17 1 1 A 103 103 PRO CB C 103 32.263 31.881 0.382 1
1 1265 . 17 1 1 A 104 104 THR H H 104 8.760 8.547 0.213 1
1 1266 . 17 1 1 A 104 104 THR HA H 104 5.017 5.117 -0.100 1
1 1271 . 17 1 1 A 104 104 THR C C 104 172.498 172.924 -0.426 1
1 1272 . 17 1 1 A 104 104 THR CA C 104 59.729 59.437 0.292 1
1 1273 . 17 1 1 A 104 104 THR CB C 104 72.479 72.141 0.338 1
1 1275 . 17 1 1 A 104 104 THR N N 104 116.086 112.809 3.277 1
1 1276 . 17 1 1 A 105 105 GLU H H 105 8.267 8.581 -0.314 1
1 1277 . 17 1 1 A 105 105 GLU HA H 105 4.499 5.086 -0.587 1
1 1282 . 17 1 1 A 105 105 GLU C C 105 173.848 175.763 -1.915 1
1 1283 . 17 1 1 A 105 105 GLU CA C 105 54.647 54.478 0.169 1
1 1284 . 17 1 1 A 105 105 GLU CB C 105 34.227 32.431 1.796 1
1 1286 . 17 1 1 A 105 105 GLU N N 105 117.663 120.963 -3.300 1
1 1287 . 17 1 1 A 106 106 GLY H H 106 8.207 8.357 -0.150 1
1 1288 . 17 1 1 A 106 106 GLY HA2 H 106 3.873 4.180 -0.307 1
1 1289 . 17 1 1 A 106 106 GLY HA3 H 106 3.873 4.228 -0.355 1
1 1290 . 17 1 1 A 106 106 GLY C C 106 173.052 174.138 -1.086 1
1 1291 . 17 1 1 A 106 106 GLY CA C 106 44.313 45.591 -1.278 1
1 1292 . 17 1 1 A 106 106 GLY N N 106 108.896 109.055 -0.159 1
1 1293 . 17 1 1 A 107 107 ILE H H 107 8.333 9.464 -1.131 1
1 1294 . 17 1 1 A 107 107 ILE HA H 107 4.110 3.734 0.376 1
1 1304 . 17 1 1 A 107 107 ILE C C 107 176.773 177.469 -0.696 1
1 1305 . 17 1 1 A 107 107 ILE CA C 107 62.404 64.179 -1.775 1
1 1306 . 17 1 1 A 107 107 ILE CB C 107 38.826 37.643 1.183 1
1 1310 . 17 1 1 A 107 107 ILE N N 107 119.410 120.062 -0.652 1
1 1311 . 17 1 1 A 108 108 ILE H H 108 8.369 7.999 0.370 1
1 1312 . 17 1 1 A 108 108 ILE HA H 108 4.167 3.624 0.543 1
1 1322 . 17 1 1 A 108 108 ILE C C 108 176.821 178.515 -1.694 1
1 1323 . 17 1 1 A 108 108 ILE CA C 108 61.060 65.076 -4.016 1
1 1324 . 17 1 1 A 108 108 ILE CB C 108 37.984 37.379 0.605 1
1 1328 . 17 1 1 A 108 108 ILE N N 108 122.390 120.835 1.555 1
1 1329 . 17 1 1 A 109 109 GLU H H 109 8.127 8.084 0.043 1
1 1330 . 17 1 1 A 109 109 GLU HA H 109 4.218 4.081 0.137 1
1 1335 . 17 1 1 A 109 109 GLU C C 109 176.438 178.320 -1.882 1
1 1336 . 17 1 1 A 109 109 GLU CA C 109 56.548 58.926 -2.378 1
1 1337 . 17 1 1 A 109 109 GLU CB C 109 30.178 29.432 0.746 1
1 1339 . 17 1 1 A 109 109 GLU N N 109 123.739 121.484 2.255 1
1 1340 . 17 1 1 A 110 110 SER H H 110 8.291 7.948 0.343 1
1 1341 . 17 1 1 A 110 110 SER HA H 110 4.446 4.394 0.052 1
1 1344 . 17 1 1 A 110 110 SER C C 110 174.330 175.158 -0.828 1
1 1345 . 17 1 1 A 110 110 SER CA C 110 58.252 60.566 -2.314 1
1 1346 . 17 1 1 A 110 110 SER CB C 110 63.598 63.278 0.320 1
1 1347 . 17 1 1 A 110 110 SER N N 110 116.242 114.276 1.966 1
1 1348 . 17 1 1 A 111 111 ARG H H 111 8.238 7.848 0.390 1
1 1349 . 17 1 1 A 111 111 ARG HA H 111 4.426 4.598 -0.172 1
1 1357 . 17 1 1 A 111 111 ARG C C 111 176.113 175.913 0.200 1
1 1358 . 17 1 1 A 111 111 ARG CA C 111 55.848 55.079 0.769 1
1 1359 . 17 1 1 A 111 111 ARG CB C 111 30.755 30.240 0.515 1
1 1362 . 17 1 1 A 111 111 ARG N N 111 122.827 115.846 6.981 1
1 1364 . 17 1 1 A 112 112 THR H H 112 8.229 7.877 0.352 1
1 1365 . 17 1 1 A 112 112 THR HA H 112 4.573 4.484 0.089 1
1 1370 . 17 1 1 A 112 112 THR C C 112 172.790 174.986 -2.196 1
1 1371 . 17 1 1 A 112 112 THR CA C 112 59.716 60.678 -0.962 1
1 1372 . 17 1 1 A 112 112 THR CB C 112 69.503 68.913 0.590 1
1 1374 . 17 1 1 A 112 112 THR N N 112 117.863 111.915 5.948 1
1 1375 . 17 1 1 A 113 113 PRO HA H 113 4.388 4.311 0.077 1
1 1382 . 17 1 1 A 113 113 PRO C C 113 176.605 176.835 -0.230 1
1 1383 . 17 1 1 A 113 113 PRO CA C 113 63.131 64.829 -1.698 1
1 1384 . 17 1 1 A 113 113 PRO CB C 113 31.931 31.804 0.127 1
1 1387 . 17 1 1 A 114 114 ALA H H 114 8.422 7.923 0.499 1
1 1388 . 17 1 1 A 114 114 ALA HA H 114 4.284 3.941 0.343 1
1 1392 . 17 1 1 A 114 114 ALA C C 114 178.251 176.679 1.572 1
1 1393 . 17 1 1 A 114 114 ALA CA C 114 52.518 53.229 -0.711 1
1 1394 . 17 1 1 A 114 114 ALA CB C 114 19.131 17.187 1.944 1
1 1395 . 17 1 1 A 114 114 ALA N N 114 124.466 119.913 4.553 1
1 1396 . 17 1 1 A 115 115 GLY H H 115 8.380 8.117 0.263 1
1 1397 . 17 1 1 A 115 115 GLY HA2 H 115 3.956 4.067 -0.111 1
1 1398 . 17 1 1 A 115 115 GLY HA3 H 115 3.934 4.068 -0.134 1
1 1399 . 17 1 1 A 115 115 GLY C C 115 174.020 172.722 1.298 1
1 1400 . 17 1 1 A 115 115 GLY CA C 115 45.095 44.319 0.776 1
1 1401 . 17 1 1 A 115 115 GLY N N 115 108.587 105.618 2.969 1
1 1402 . 17 1 1 A 116 116 ALA H H 116 8.127 8.518 -0.391 1
1 1403 . 17 1 1 A 116 116 ALA HA H 116 4.292 5.030 -0.738 1
1 1407 . 17 1 1 A 116 116 ALA C C 116 177.565 175.201 2.364 1
1 1408 . 17 1 1 A 116 116 ALA CA C 116 52.504 51.739 0.765 1
1 1409 . 17 1 1 A 116 116 ALA CB C 116 19.187 22.023 -2.836 1
1 1410 . 17 1 1 A 116 116 ALA N N 116 123.523 121.509 2.014 1
1 1411 . 17 1 1 A 117 117 ASP H H 117 8.316 8.949 -0.633 1
1 1412 . 17 1 1 A 117 117 ASP HA H 117 4.555 5.458 -0.903 1
1 1415 . 17 1 1 A 117 117 ASP C C 117 175.899 175.393 0.506 1
1 1416 . 17 1 1 A 117 117 ASP CA C 117 54.254 52.596 1.658 1
1 1417 . 17 1 1 A 117 117 ASP CB C 117 40.962 43.112 -2.150 1
1 1418 . 17 1 1 A 117 117 ASP N N 117 118.783 122.049 -3.266 1
1 1419 . 17 1 1 A 118 118 ASP H H 118 8.083 8.929 -0.846 1
1 1420 . 17 1 1 A 118 118 ASP HA H 118 4.529 4.928 -0.399 1
1 1423 . 17 1 1 A 118 118 ASP C C 118 176.278 176.301 -0.023 1
1 1424 . 17 1 1 A 118 118 ASP CA C 118 54.202 53.234 0.968 1
1 1425 . 17 1 1 A 118 118 ASP CB C 118 40.933 42.655 -1.722 1
1 1426 . 17 1 1 A 118 118 ASP N N 118 119.935 120.913 -0.978 1
1 1427 . 17 1 1 A 119 119 TYR H H 119 8.107 8.964 -0.857 1
1 1428 . 17 1 1 A 119 119 TYR HA H 119 4.450 4.566 -0.116 1
1 1435 . 17 1 1 A 119 119 TYR C C 119 175.825 175.781 0.044 1
1 1436 . 17 1 1 A 119 119 TYR CA C 119 58.350 60.903 -2.553 1
1 1437 . 17 1 1 A 119 119 TYR CB C 119 38.260 39.553 -1.293 1
1 1442 . 17 1 1 A 119 119 TYR N N 119 120.415 123.451 -3.036 1
1 1443 . 17 1 1 A 120 120 ASN H H 120 8.276 8.232 0.044 1
1 1444 . 17 1 1 A 120 120 ASN HA H 120 4.615 4.470 0.145 1
1 1449 . 17 1 1 A 120 120 ASN C C 120 175.102 174.702 0.400 1
1 1450 . 17 1 1 A 120 120 ASN CA C 120 53.396 54.778 -1.382 1
1 1451 . 17 1 1 A 120 120 ASN CB C 120 38.712 37.028 1.684 1
1 1452 . 17 1 1 A 120 120 ASN N N 120 119.834 117.153 2.681 1
1 1454 . 17 1 1 A 121 121 VAL H H 121 7.897 7.180 0.717 1
1 1455 . 17 1 1 A 121 121 VAL HA H 121 4.009 3.916 0.093 1
1 1463 . 17 1 1 A 121 121 VAL C C 121 176.484 175.544 0.940 1
1 1464 . 17 1 1 A 121 121 VAL CA C 121 62.950 62.500 0.450 1
1 1465 . 17 1 1 A 121 121 VAL CB C 121 32.326 31.638 0.688 1
1 1468 . 17 1 1 A 121 121 VAL N N 121 120.109 120.677 -0.568 1
1 1469 . 17 1 1 A 122 122 VAL H H 122 8.091 8.552 -0.461 1
1 1470 . 17 1 1 A 122 122 VAL HA H 122 4.014 4.785 -0.771 1
1 1478 . 17 1 1 A 122 122 VAL C C 122 176.568 174.959 1.609 1
1 1479 . 17 1 1 A 122 122 VAL CA C 122 62.924 60.842 2.082 1
1 1480 . 17 1 1 A 122 122 VAL CB C 122 32.279 33.178 -0.899 1
1 1483 . 17 1 1 A 122 122 VAL N N 122 122.407 124.471 -2.064 1
1 1484 . 17 1 1 A 123 123 SER H H 123 8.228 8.945 -0.717 1
1 1485 . 17 1 1 A 123 123 SER HA H 123 4.385 5.117 -0.732 1
1 1488 . 17 1 1 A 123 123 SER C C 123 174.863 173.152 1.711 1
1 1489 . 17 1 1 A 123 123 SER CA C 123 58.525 57.510 1.015 1
1 1490 . 17 1 1 A 123 123 SER CB C 123 63.450 66.165 -2.715 1
1 1491 . 17 1 1 A 123 123 SER N N 123 118.095 119.562 -1.467 1
1 1492 . 17 1 1 A 124 124 ARG H H 124 8.208 8.752 -0.544 1
1 1493 . 17 1 1 A 124 124 ARG HA H 124 4.297 4.899 -0.602 1
1 1500 . 17 1 1 A 124 124 ARG C C 124 176.328 174.232 2.096 1
1 1501 . 17 1 1 A 124 124 ARG CA C 124 56.408 55.820 0.588 1
1 1502 . 17 1 1 A 124 124 ARG CB C 124 30.480 34.279 -3.799 1
1 1505 . 17 1 1 A 124 124 ARG N N 124 122.632 125.782 -3.150 1
1 1506 . 17 1 1 A 125 125 LEU H H 125 8.081 8.700 -0.619 1
1 1507 . 17 1 1 A 125 125 LEU HA H 125 4.262 4.984 -0.722 1
1 1517 . 17 1 1 A 125 125 LEU C C 125 177.375 174.674 2.701 1
1 1518 . 17 1 1 A 125 125 LEU CA C 125 55.282 54.295 0.987 1
1 1519 . 17 1 1 A 125 125 LEU CB C 125 42.042 46.114 -4.072 1
1 1523 . 17 1 1 A 125 125 LEU N N 125 121.964 125.916 -3.952 1
1 1524 . 17 1 1 A 126 126 GLU H H 126 8.232 8.817 -0.585 1
1 1525 . 17 1 1 A 126 126 GLU HA H 126 4.179 4.897 -0.718 1
1 1530 . 17 1 1 A 126 126 GLU C C 126 176.238 174.470 1.768 1
1 1531 . 17 1 1 A 126 126 GLU CA C 126 56.451 56.170 0.281 1
1 1532 . 17 1 1 A 126 126 GLU CB C 126 30.131 33.098 -2.967 1
1 14 . 18 1 1 A 2 2 GLU H H 2 8.824 8.061 0.763 1
1 15 . 18 1 1 A 2 2 GLU HA H 2 4.687 4.496 0.191 1
1 20 . 18 1 1 A 2 2 GLU C C 2 175.506 175.963 -0.457 1
1 21 . 18 1 1 A 2 2 GLU CA C 2 54.603 57.758 -3.155 1
1 22 . 18 1 1 A 2 2 GLU CB C 2 29.310 28.692 0.618 1
1 24 . 18 1 1 A 2 2 GLU N N 2 125.698 115.374 10.324 1
1 25 . 18 1 1 A 3 3 PRO HA H 3 4.398 4.506 -0.108 1
1 32 . 18 1 1 A 3 3 PRO C C 3 176.267 176.647 -0.380 1
1 33 . 18 1 1 A 3 3 PRO CA C 3 64.781 64.877 -0.096 1
1 34 . 18 1 1 A 3 3 PRO CB C 3 31.918 32.181 -0.263 1
1 37 . 18 1 1 A 4 4 GLN H H 4 7.738 8.036 -0.298 1
1 38 . 18 1 1 A 4 4 GLN HA H 4 4.908 4.950 -0.042 1
1 45 . 18 1 1 A 4 4 GLN C C 4 175.006 174.548 0.458 1
1 46 . 18 1 1 A 4 4 GLN CA C 4 54.697 54.688 0.009 1
1 47 . 18 1 1 A 4 4 GLN CB C 4 31.196 30.572 0.624 1
1 49 . 18 1 1 A 4 4 GLN N N 4 114.971 118.211 -3.240 1
1 51 . 18 1 1 A 5 5 SER H H 5 9.180 9.130 0.050 1
1 52 . 18 1 1 A 5 5 SER HA H 5 4.825 4.977 -0.152 1
1 55 . 18 1 1 A 5 5 SER C C 5 172.669 174.059 -1.390 1
1 56 . 18 1 1 A 5 5 SER CA C 5 58.100 57.761 0.339 1
1 57 . 18 1 1 A 5 5 SER CB C 5 65.536 64.093 1.443 1
1 58 . 18 1 1 A 5 5 SER N N 5 117.801 120.411 -2.610 1
1 59 . 18 1 1 A 6 6 ASP H H 6 8.386 8.969 -0.583 1
1 60 . 18 1 1 A 6 6 ASP HA H 6 4.841 4.690 0.151 1
1 63 . 18 1 1 A 6 6 ASP C C 6 177.071 177.436 -0.365 1
1 64 . 18 1 1 A 6 6 ASP CA C 6 53.810 54.389 -0.579 1
1 65 . 18 1 1 A 6 6 ASP CB C 6 42.427 41.328 1.099 1
1 66 . 18 1 1 A 6 6 ASP N N 6 123.042 124.976 -1.934 1
1 67 . 18 1 1 A 7 7 ALA H H 7 9.312 9.102 0.210 1
1 68 . 18 1 1 A 7 7 ALA HA H 7 4.036 4.134 -0.098 1
1 72 . 18 1 1 A 7 7 ALA C C 7 178.859 179.612 -0.753 1
1 73 . 18 1 1 A 7 7 ALA CA C 7 55.703 55.592 0.111 1
1 74 . 18 1 1 A 7 7 ALA CB C 7 17.952 18.427 -0.475 1
1 75 . 18 1 1 A 7 7 ALA N N 7 123.976 125.759 -1.783 1
1 76 . 18 1 1 A 8 8 HIS H H 8 8.537 7.858 0.679 1
1 77 . 18 1 1 A 8 8 HIS HA H 8 3.950 4.172 -0.222 1
1 82 . 18 1 1 A 8 8 HIS C C 8 178.023 176.894 1.129 1
1 83 . 18 1 1 A 8 8 HIS CA C 8 59.778 59.718 0.060 1
1 84 . 18 1 1 A 8 8 HIS CB C 8 29.039 29.616 -0.577 1
1 87 . 18 1 1 A 8 8 HIS N N 8 114.303 118.220 -3.917 1
1 90 . 18 1 1 A 9 9 VAL H H 9 7.567 7.862 -0.295 1
1 91 . 18 1 1 A 9 9 VAL HA H 9 3.709 3.378 0.331 1
1 99 . 18 1 1 A 9 9 VAL C C 9 178.518 177.986 0.532 1
1 100 . 18 1 1 A 9 9 VAL CA C 9 65.508 66.281 -0.773 1
1 101 . 18 1 1 A 9 9 VAL CB C 9 31.604 31.485 0.119 1
1 104 . 18 1 1 A 9 9 VAL N N 9 121.235 119.185 2.050 1
1 105 . 18 1 1 A 10 10 LEU H H 10 7.219 8.366 -1.147 1
1 106 . 18 1 1 A 10 10 LEU HA H 10 3.716 3.853 -0.137 1
1 116 . 18 1 1 A 10 10 LEU C C 10 177.133 178.216 -1.083 1
1 117 . 18 1 1 A 10 10 LEU CA C 10 57.133 58.456 -1.323 1
1 118 . 18 1 1 A 10 10 LEU CB C 10 40.756 41.448 -0.692 1
1 122 . 18 1 1 A 10 10 LEU N N 10 120.890 121.412 -0.522 1
1 123 . 18 1 1 A 11 11 LYS H H 11 8.568 8.100 0.468 1
1 124 . 18 1 1 A 11 11 LYS HA H 11 3.943 3.907 0.036 1
1 133 . 18 1 1 A 11 11 LYS C C 11 178.143 178.725 -0.582 1
1 134 . 18 1 1 A 11 11 LYS CA C 11 60.388 59.455 0.933 1
1 135 . 18 1 1 A 11 11 LYS CB C 11 32.354 31.668 0.686 1
1 139 . 18 1 1 A 11 11 LYS N N 11 120.361 119.745 0.616 1
1 140 . 18 1 1 A 12 12 SER H H 12 7.865 8.113 -0.248 1
1 141 . 18 1 1 A 12 12 SER HA H 12 4.225 4.288 -0.063 1
1 144 . 18 1 1 A 12 12 SER C C 12 175.839 177.190 -1.351 1
1 145 . 18 1 1 A 12 12 SER CA C 12 61.626 61.054 0.572 1
1 146 . 18 1 1 A 12 12 SER CB C 12 62.749 62.368 0.381 1
1 147 . 18 1 1 A 12 12 SER N N 12 113.173 115.872 -2.699 1
1 148 . 18 1 1 A 13 13 ARG H H 13 7.701 7.828 -0.127 1
1 149 . 18 1 1 A 13 13 ARG HA H 13 3.827 4.216 -0.389 1
1 157 . 18 1 1 A 13 13 ARG C C 13 178.606 179.124 -0.518 1
1 158 . 18 1 1 A 13 13 ARG CA C 13 58.926 59.164 -0.238 1
1 159 . 18 1 1 A 13 13 ARG CB C 13 29.616 30.168 -0.552 1
1 162 . 18 1 1 A 13 13 ARG N N 13 122.104 122.198 -0.094 1
1 164 . 18 1 1 A 14 14 LEU H H 14 8.308 8.403 -0.095 1
1 165 . 18 1 1 A 14 14 LEU HA H 14 4.219 4.132 0.087 1
1 175 . 18 1 1 A 14 14 LEU C C 14 178.590 178.703 -0.113 1
1 176 . 18 1 1 A 14 14 LEU CA C 14 57.904 58.478 -0.574 1
1 177 . 18 1 1 A 14 14 LEU CB C 14 42.627 42.038 0.589 1
1 181 . 18 1 1 A 14 14 LEU N N 14 119.549 121.113 -1.564 1
1 182 . 18 1 1 A 15 15 GLU H H 15 7.824 8.133 -0.309 1
1 183 . 18 1 1 A 15 15 GLU HA H 15 3.998 4.123 -0.125 1
1 188 . 18 1 1 A 15 15 GLU C C 15 177.805 178.190 -0.385 1
1 189 . 18 1 1 A 15 15 GLU CA C 15 58.219 58.552 -0.333 1
1 190 . 18 1 1 A 15 15 GLU CB C 15 29.865 30.426 -0.561 1
1 192 . 18 1 1 A 15 15 GLU N N 15 116.921 117.579 -0.658 1
1 193 . 18 1 1 A 16 16 TRP H H 16 7.905 8.268 -0.363 1
1 194 . 18 1 1 A 16 16 TRP HA H 16 4.895 4.624 0.271 1
1 203 . 18 1 1 A 16 16 TRP C C 16 176.778 177.021 -0.243 1
1 204 . 18 1 1 A 16 16 TRP CA C 16 57.033 59.435 -2.402 1
1 205 . 18 1 1 A 16 16 TRP CB C 16 30.513 30.978 -0.465 1
1 211 . 18 1 1 A 16 16 TRP N N 16 116.589 119.434 -2.845 1
1 213 . 18 1 1 A 17 17 GLY H H 17 8.007 8.274 -0.267 1
1 214 . 18 1 1 A 17 17 GLY HA2 H 17 3.979 4.135 -0.156 1
1 215 . 18 1 1 A 17 17 GLY HA3 H 17 4.200 4.144 0.056 1
1 216 . 18 1 1 A 17 17 GLY C C 17 173.650 172.842 0.808 1
1 217 . 18 1 1 A 17 17 GLY CA C 17 44.786 44.420 0.366 1
1 218 . 18 1 1 A 17 17 GLY N N 17 108.398 108.038 0.360 1
1 219 . 18 1 1 A 18 18 GLU H H 18 8.483 8.467 0.016 1
1 220 . 18 1 1 A 18 18 GLU HA H 18 4.534 4.817 -0.283 1
1 225 . 18 1 1 A 18 18 GLU C C 18 176.535 174.951 1.584 1
1 226 . 18 1 1 A 18 18 GLU CA C 18 54.615 53.199 1.416 1
1 227 . 18 1 1 A 18 18 GLU CB C 18 29.654 31.952 -2.298 1
1 229 . 18 1 1 A 18 18 GLU N N 18 121.984 121.608 0.376 1
1 230 . 18 1 1 A 19 19 PRO HA H 19 4.549 3.040 1.509 1
1 237 . 18 1 1 A 19 19 PRO C C 19 176.737 176.729 0.008 1
1 238 . 18 1 1 A 19 19 PRO CA C 19 63.685 65.378 -1.693 1
1 239 . 18 1 1 A 19 19 PRO CB C 19 30.940 30.804 0.136 1
1 242 . 18 1 1 A 20 20 ALA H H 20 8.386 7.671 0.715 1
1 243 . 18 1 1 A 20 20 ALA HA H 20 4.536 3.834 0.702 1
1 247 . 18 1 1 A 20 20 ALA C C 20 174.844 175.778 -0.934 1
1 248 . 18 1 1 A 20 20 ALA CA C 20 51.312 53.531 -2.219 1
1 249 . 18 1 1 A 20 20 ALA CB C 20 17.883 17.916 -0.033 1
1 250 . 18 1 1 A 20 20 ALA N N 20 126.537 118.593 7.944 1
1 251 . 18 1 1 A 21 21 PHE H H 21 7.244 7.282 -0.038 1
1 252 . 18 1 1 A 21 21 PHE HA H 21 5.485 5.187 0.298 1
1 260 . 18 1 1 A 21 21 PHE C C 21 173.639 174.318 -0.679 1
1 261 . 18 1 1 A 21 21 PHE CA C 21 55.312 55.405 -0.093 1
1 262 . 18 1 1 A 21 21 PHE CB C 21 41.581 42.182 -0.601 1
1 268 . 18 1 1 A 21 21 PHE N N 21 115.447 114.247 1.200 1
1 269 . 18 1 1 A 22 22 THR H H 22 9.203 9.213 -0.010 1
1 270 . 18 1 1 A 22 22 THR HA H 22 4.583 5.028 -0.445 1
1 275 . 18 1 1 A 22 22 THR C C 22 171.987 174.177 -2.190 1
1 276 . 18 1 1 A 22 22 THR CA C 22 62.368 62.001 0.367 1
1 277 . 18 1 1 A 22 22 THR CB C 22 72.961 69.792 3.169 1
1 279 . 18 1 1 A 22 22 THR N N 22 119.035 116.477 2.558 1
1 280 . 18 1 1 A 23 23 ILE H H 23 9.318 9.216 0.102 1
1 281 . 18 1 1 A 23 23 ILE HA H 23 5.172 5.266 -0.094 1
1 291 . 18 1 1 A 23 23 ILE C C 23 173.969 175.492 -1.523 1
1 292 . 18 1 1 A 23 23 ILE CA C 23 59.958 60.514 -0.556 1
1 293 . 18 1 1 A 23 23 ILE CB C 23 40.273 38.292 1.981 1
1 297 . 18 1 1 A 23 23 ILE N N 23 127.452 129.204 -1.752 1
1 298 . 18 1 1 A 24 24 LEU H H 24 9.522 9.116 0.406 1
1 299 . 18 1 1 A 24 24 LEU HA H 24 4.871 5.055 -0.184 1
1 309 . 18 1 1 A 24 24 LEU C C 24 172.823 174.981 -2.158 1
1 310 . 18 1 1 A 24 24 LEU CA C 24 53.100 53.195 -0.095 1
1 311 . 18 1 1 A 24 24 LEU CB C 24 44.522 43.777 0.745 1
1 315 . 18 1 1 A 24 24 LEU N N 24 127.148 128.990 -1.842 1
1 316 . 18 1 1 A 25 25 ASP H H 25 8.325 8.611 -0.286 1
1 317 . 18 1 1 A 25 25 ASP HA H 25 4.112 4.207 -0.095 1
1 320 . 18 1 1 A 25 25 ASP C C 25 177.457 176.788 0.669 1
1 321 . 18 1 1 A 25 25 ASP CA C 25 51.097 52.808 -1.711 1
1 322 . 18 1 1 A 25 25 ASP CB C 25 43.056 40.405 2.651 1
1 323 . 18 1 1 A 25 25 ASP N N 25 122.856 124.288 -1.432 1
1 324 . 18 1 1 A 26 26 VAL H H 26 7.924 7.859 0.065 1
1 325 . 18 1 1 A 26 26 VAL HA H 26 4.964 4.281 0.683 1
1 333 . 18 1 1 A 26 26 VAL C C 26 176.585 176.712 -0.127 1
1 334 . 18 1 1 A 26 26 VAL CA C 26 59.554 61.631 -2.077 1
1 335 . 18 1 1 A 26 26 VAL CB C 26 30.002 31.839 -1.837 1
1 338 . 18 1 1 A 26 26 VAL N N 26 117.391 120.105 -2.714 1
1 339 . 18 1 1 A 27 27 ARG H H 27 7.773 7.264 0.509 1
1 340 . 18 1 1 A 27 27 ARG HA H 27 4.418 4.099 0.319 1
1 352 . 18 1 1 A 27 27 ARG C C 27 173.931 175.907 -1.976 1
1 353 . 18 1 1 A 27 27 ARG CA C 27 55.487 57.997 -2.510 1
1 354 . 18 1 1 A 27 27 ARG CB C 27 30.337 30.819 -0.482 1
1 357 . 18 1 1 A 27 27 ARG N N 27 121.126 120.692 0.434 1
1 361 . 18 1 1 A 28 28 ASP H H 28 7.792 7.703 0.089 1
1 362 . 18 1 1 A 28 28 ASP HA H 28 4.431 4.792 -0.361 1
1 365 . 18 1 1 A 28 28 ASP C C 28 176.402 175.852 0.550 1
1 366 . 18 1 1 A 28 28 ASP CA C 28 54.427 53.851 0.576 1
1 367 . 18 1 1 A 28 28 ASP CB C 28 41.498 43.901 -2.403 1
1 368 . 18 1 1 A 28 28 ASP N N 28 115.368 114.486 0.882 1
1 369 . 18 1 1 A 29 29 ARG H H 29 8.781 8.731 0.050 1
1 370 . 18 1 1 A 29 29 ARG HA H 29 3.853 3.916 -0.063 1
1 378 . 18 1 1 A 29 29 ARG C C 29 177.811 177.685 0.126 1
1 379 . 18 1 1 A 29 29 ARG CA C 29 58.920 59.605 -0.685 1
1 380 . 18 1 1 A 29 29 ARG CB C 29 29.762 30.043 -0.281 1
1 383 . 18 1 1 A 29 29 ARG N N 29 121.538 125.561 -4.023 1
1 385 . 18 1 1 A 30 30 SER H H 30 8.478 8.011 0.467 1
1 386 . 18 1 1 A 30 30 SER HA H 30 4.190 4.257 -0.067 1
1 389 . 18 1 1 A 30 30 SER C C 30 176.814 176.511 0.303 1
1 390 . 18 1 1 A 30 30 SER CA C 30 61.929 62.587 -0.658 1
1 391 . 18 1 1 A 30 30 SER CB C 30 62.051 63.020 -0.969 1
1 392 . 18 1 1 A 30 30 SER N N 30 113.937 117.298 -3.361 1
1 393 . 18 1 1 A 31 31 THR H H 31 7.724 7.786 -0.062 1
1 394 . 18 1 1 A 31 31 THR HA H 31 4.096 3.930 0.166 1
1 399 . 18 1 1 A 31 31 THR C C 31 176.940 175.940 1.000 1
1 400 . 18 1 1 A 31 31 THR CA C 31 66.078 66.502 -0.424 1
1 401 . 18 1 1 A 31 31 THR CB C 31 67.583 68.323 -0.740 1
1 403 . 18 1 1 A 31 31 THR N N 31 120.025 117.427 2.598 1
1 404 . 18 1 1 A 32 32 TYR H H 32 8.186 8.567 -0.381 1
1 405 . 18 1 1 A 32 32 TYR HA H 32 4.009 4.201 -0.192 1
1 410 . 18 1 1 A 32 32 TYR C C 32 180.166 177.503 2.663 1
1 411 . 18 1 1 A 32 32 TYR CA C 32 61.797 62.408 -0.611 1
1 412 . 18 1 1 A 32 32 TYR CB C 32 37.300 38.539 -1.239 1
1 415 . 18 1 1 A 32 32 TYR N N 32 123.636 122.524 1.112 1
1 416 . 18 1 1 A 33 33 ASN H H 33 8.838 8.070 0.768 1
1 417 . 18 1 1 A 33 33 ASN HA H 33 4.435 4.390 0.045 1
1 422 . 18 1 1 A 33 33 ASN C C 33 176.730 177.591 -0.861 1
1 423 . 18 1 1 A 33 33 ASN CA C 33 55.167 56.362 -1.195 1
1 424 . 18 1 1 A 33 33 ASN CB C 33 37.308 37.634 -0.326 1
1 425 . 18 1 1 A 33 33 ASN N N 33 122.000 118.036 3.964 1
1 427 . 18 1 1 A 34 34 ASP H H 34 7.510 8.150 -0.640 1
1 428 . 18 1 1 A 34 34 ASP HA H 34 4.587 4.446 0.141 1
1 431 . 18 1 1 A 34 34 ASP C C 34 177.045 176.640 0.405 1
1 432 . 18 1 1 A 34 34 ASP CA C 34 56.487 56.533 -0.046 1
1 433 . 18 1 1 A 34 34 ASP CB C 34 40.822 41.206 -0.384 1
1 434 . 18 1 1 A 34 34 ASP N N 34 119.832 118.402 1.430 1
1 435 . 18 1 1 A 35 35 GLY H H 35 7.412 7.318 0.094 1
1 436 . 18 1 1 A 35 35 GLY HA2 H 35 3.997 3.975 0.022 1
1 437 . 18 1 1 A 35 35 GLY HA3 H 35 3.997 4.040 -0.043 1
1 438 . 18 1 1 A 35 35 GLY C C 35 171.246 171.566 -0.320 1
1 439 . 18 1 1 A 35 35 GLY CA C 35 46.441 45.898 0.543 1
1 440 . 18 1 1 A 35 35 GLY N N 35 106.611 104.918 1.693 1
1 441 . 18 1 1 A 36 36 HIS H H 36 8.441 8.999 -0.558 1
1 442 . 18 1 1 A 36 36 HIS HA H 36 4.782 5.551 -0.769 1
1 447 . 18 1 1 A 36 36 HIS C C 36 172.800 173.730 -0.930 1
1 448 . 18 1 1 A 36 36 HIS CA C 36 53.425 53.501 -0.076 1
1 449 . 18 1 1 A 36 36 HIS CB C 36 31.978 32.375 -0.397 1
1 452 . 18 1 1 A 36 36 HIS N N 36 117.929 120.364 -2.435 1
1 455 . 18 1 1 A 37 37 ILE H H 37 8.087 8.873 -0.786 1
1 456 . 18 1 1 A 37 37 ILE HA H 37 3.223 3.765 -0.542 1
1 466 . 18 1 1 A 37 37 ILE C C 37 175.423 176.166 -0.743 1
1 467 . 18 1 1 A 37 37 ILE CA C 37 64.607 61.925 2.682 1
1 468 . 18 1 1 A 37 37 ILE CB C 37 37.269 37.756 -0.487 1
1 472 . 18 1 1 A 37 37 ILE N N 37 120.831 121.343 -0.512 1
1 473 . 18 1 1 A 38 38 MET H H 38 7.625 8.554 -0.929 1
1 474 . 18 1 1 A 38 38 MET HA H 38 3.953 4.380 -0.427 1
1 482 . 18 1 1 A 38 38 MET C C 38 174.632 177.298 -2.666 1
1 483 . 18 1 1 A 38 38 MET CA C 38 57.865 57.162 0.703 1
1 484 . 18 1 1 A 38 38 MET CB C 38 32.882 32.228 0.654 1
1 487 . 18 1 1 A 38 38 MET N N 38 128.683 126.113 2.570 1
1 488 . 18 1 1 A 39 39 GLY H H 39 8.795 9.003 -0.208 1
1 489 . 18 1 1 A 39 39 GLY HA2 H 39 3.727 3.904 -0.177 1
1 490 . 18 1 1 A 39 39 GLY HA3 H 39 4.345 3.934 0.411 1
1 491 . 18 1 1 A 39 39 GLY C C 39 175.442 174.876 0.566 1
1 492 . 18 1 1 A 39 39 GLY CA C 39 44.964 46.105 -1.141 1
1 493 . 18 1 1 A 39 39 GLY N N 39 113.814 114.258 -0.444 1
1 494 . 18 1 1 A 40 40 ALA H H 40 8.566 8.316 0.250 1
1 495 . 18 1 1 A 40 40 ALA HA H 40 4.656 4.519 0.137 1
1 499 . 18 1 1 A 40 40 ALA C C 40 177.459 177.114 0.345 1
1 500 . 18 1 1 A 40 40 ALA CA C 40 52.139 52.282 -0.143 1
1 501 . 18 1 1 A 40 40 ALA CB C 40 20.657 20.427 0.230 1
1 502 . 18 1 1 A 40 40 ALA N N 40 122.444 123.791 -1.347 1
1 503 . 18 1 1 A 41 41 MET H H 41 9.268 8.960 0.308 1
1 504 . 18 1 1 A 41 41 MET HA H 41 4.478 4.713 -0.235 1
1 512 . 18 1 1 A 41 41 MET C C 41 174.328 175.643 -1.315 1
1 513 . 18 1 1 A 41 41 MET CA C 41 54.330 54.156 0.174 1
1 514 . 18 1 1 A 41 41 MET CB C 41 34.473 32.585 1.888 1
1 517 . 18 1 1 A 41 41 MET N N 41 123.908 120.479 3.429 1
1 518 . 18 1 1 A 42 42 ALA H H 42 8.162 8.406 -0.244 1
1 519 . 18 1 1 A 42 42 ALA HA H 42 3.870 3.437 0.433 1
1 523 . 18 1 1 A 42 42 ALA C C 42 177.157 176.103 1.054 1
1 524 . 18 1 1 A 42 42 ALA CA C 42 51.888 51.222 0.666 1
1 525 . 18 1 1 A 42 42 ALA CB C 42 16.282 16.614 -0.332 1
1 526 . 18 1 1 A 42 42 ALA N N 42 126.936 126.050 0.886 1
1 527 . 18 1 1 A 43 43 MET H H 43 8.109 8.446 -0.337 1
1 528 . 18 1 1 A 43 43 MET HA H 43 4.386 5.005 -0.619 1
1 536 . 18 1 1 A 43 43 MET C C 43 168.952 174.010 -5.058 1
1 537 . 18 1 1 A 43 43 MET CA C 43 53.535 52.362 1.173 1
1 538 . 18 1 1 A 43 43 MET CB C 43 34.346 33.124 1.222 1
1 541 . 18 1 1 A 43 43 MET N N 43 125.282 122.063 3.219 1
1 542 . 18 1 1 A 44 44 PRO HA H 44 3.949 4.679 -0.730 1
1 549 . 18 1 1 A 44 44 PRO C C 44 179.070 177.830 1.240 1
1 550 . 18 1 1 A 44 44 PRO CA C 44 62.524 62.656 -0.132 1
1 551 . 18 1 1 A 44 44 PRO CB C 44 32.611 32.551 0.060 1
1 554 . 18 1 1 A 45 45 ILE H H 45 7.764 8.583 -0.819 1
1 555 . 18 1 1 A 45 45 ILE HA H 45 3.851 3.912 -0.061 1
1 565 . 18 1 1 A 45 45 ILE C C 45 175.827 177.705 -1.878 1
1 566 . 18 1 1 A 45 45 ILE CA C 45 64.676 63.287 1.389 1
1 567 . 18 1 1 A 45 45 ILE CB C 45 38.991 37.974 1.017 1
1 571 . 18 1 1 A 45 45 ILE N N 45 121.655 124.532 -2.877 1
1 572 . 18 1 1 A 46 46 GLU H H 46 9.102 8.187 0.915 1
1 573 . 18 1 1 A 46 46 GLU HA H 46 4.056 4.038 0.018 1
1 578 . 18 1 1 A 46 46 GLU C C 46 176.499 177.772 -1.273 1
1 579 . 18 1 1 A 46 46 GLU CA C 46 59.349 59.532 -0.183 1
1 580 . 18 1 1 A 46 46 GLU CB C 46 28.456 29.629 -1.173 1
1 582 . 18 1 1 A 46 46 GLU N N 46 121.004 122.072 -1.068 1
1 583 . 18 1 1 A 47 47 ASP H H 47 7.729 7.520 0.209 1
1 584 . 18 1 1 A 47 47 ASP HA H 47 5.059 4.633 0.426 1
1 587 . 18 1 1 A 47 47 ASP C C 47 175.683 176.829 -1.146 1
1 588 . 18 1 1 A 47 47 ASP CA C 47 53.266 54.029 -0.763 1
1 589 . 18 1 1 A 47 47 ASP CB C 47 42.048 41.496 0.552 1
1 590 . 18 1 1 A 47 47 ASP N N 47 117.171 119.048 -1.877 1
1 591 . 18 1 1 A 48 48 LEU H H 48 7.193 7.545 -0.352 1
1 592 . 18 1 1 A 48 48 LEU HA H 48 3.690 3.881 -0.191 1
1 602 . 18 1 1 A 48 48 LEU C C 48 176.829 178.314 -1.485 1
1 603 . 18 1 1 A 48 48 LEU CA C 48 58.905 58.896 0.009 1
1 604 . 18 1 1 A 48 48 LEU CB C 48 43.334 41.713 1.621 1
1 608 . 18 1 1 A 48 48 LEU N N 48 121.314 121.021 0.293 1
1 609 . 18 1 1 A 49 49 VAL H H 49 8.507 7.943 0.564 1
1 610 . 18 1 1 A 49 49 VAL HA H 49 3.290 3.503 -0.213 1
1 618 . 18 1 1 A 49 49 VAL C C 49 178.915 177.449 1.466 1
1 619 . 18 1 1 A 49 49 VAL CA C 49 67.886 66.996 0.890 1
1 620 . 18 1 1 A 49 49 VAL CB C 49 30.881 31.597 -0.716 1
1 623 . 18 1 1 A 49 49 VAL N N 49 116.698 119.333 -2.635 1
1 624 . 18 1 1 A 50 50 ASP H H 50 8.474 8.246 0.228 1
1 625 . 18 1 1 A 50 50 ASP HA H 50 4.396 4.343 0.053 1
1 628 . 18 1 1 A 50 50 ASP C C 50 178.890 178.982 -0.092 1
1 629 . 18 1 1 A 50 50 ASP CA C 50 57.477 57.468 0.009 1
1 630 . 18 1 1 A 50 50 ASP CB C 50 40.945 40.275 0.670 1
1 631 . 18 1 1 A 50 50 ASP N N 50 121.526 119.623 1.903 1
1 632 . 18 1 1 A 51 51 ARG H H 51 8.334 8.353 -0.019 1
1 633 . 18 1 1 A 51 51 ARG HA H 51 4.079 3.999 0.080 1
1 641 . 18 1 1 A 51 51 ARG C C 51 179.634 178.764 0.870 1
1 642 . 18 1 1 A 51 51 ARG CA C 51 58.378 59.584 -1.206 1
1 643 . 18 1 1 A 51 51 ARG CB C 51 29.692 30.262 -0.570 1
1 646 . 18 1 1 A 51 51 ARG N N 51 118.666 119.350 -0.684 1
1 648 . 18 1 1 A 52 52 ALA H H 52 9.250 8.188 1.062 1
1 649 . 18 1 1 A 52 52 ALA HA H 52 3.752 4.173 -0.421 1
1 653 . 18 1 1 A 52 52 ALA C C 52 179.710 179.793 -0.083 1
1 654 . 18 1 1 A 52 52 ALA CA C 52 55.830 55.229 0.601 1
1 655 . 18 1 1 A 52 52 ALA CB C 52 18.164 17.951 0.213 1
1 656 . 18 1 1 A 52 52 ALA N N 52 124.004 121.894 2.110 1
1 657 . 18 1 1 A 53 53 SER H H 53 8.392 8.255 0.137 1
1 658 . 18 1 1 A 53 53 SER HA H 53 4.457 4.198 0.259 1
1 661 . 18 1 1 A 53 53 SER C C 53 175.807 177.006 -1.199 1
1 662 . 18 1 1 A 53 53 SER CA C 53 62.214 61.342 0.872 1
1 663 . 18 1 1 A 53 53 SER CB C 53 62.805 63.425 -0.620 1
1 664 . 18 1 1 A 53 53 SER N N 53 111.154 113.528 -2.374 1
1 665 . 18 1 1 A 54 54 SER H H 54 7.570 7.945 -0.375 1
1 666 . 18 1 1 A 54 54 SER HA H 54 4.512 4.385 0.127 1
1 669 . 18 1 1 A 54 54 SER C C 54 175.210 176.251 -1.041 1
1 670 . 18 1 1 A 54 54 SER CA C 54 59.567 61.221 -1.654 1
1 671 . 18 1 1 A 54 54 SER CB C 54 63.902 63.130 0.772 1
1 672 . 18 1 1 A 54 54 SER N N 54 112.745 115.459 -2.714 1
1 673 . 18 1 1 A 55 55 SER H H 55 7.501 8.142 -0.641 1
1 674 . 18 1 1 A 55 55 SER HA H 55 4.744 4.616 0.128 1
1 677 . 18 1 1 A 55 55 SER C C 55 173.106 174.115 -1.009 1
1 678 . 18 1 1 A 55 55 SER CA C 55 59.905 59.389 0.516 1
1 679 . 18 1 1 A 55 55 SER CB C 55 65.881 64.364 1.517 1
1 680 . 18 1 1 A 55 55 SER N N 55 113.238 113.909 -0.671 1
1 681 . 18 1 1 A 56 56 LEU H H 56 8.320 8.146 0.174 1
1 682 . 18 1 1 A 56 56 LEU HA H 56 4.823 4.879 -0.056 1
1 692 . 18 1 1 A 56 56 LEU C C 56 175.441 175.194 0.247 1
1 693 . 18 1 1 A 56 56 LEU CA C 56 53.476 53.349 0.127 1
1 694 . 18 1 1 A 56 56 LEU CB C 56 44.655 45.072 -0.417 1
1 698 . 18 1 1 A 56 56 LEU N N 56 122.043 119.449 2.594 1
1 699 . 18 1 1 A 57 57 GLU H H 57 8.510 8.785 -0.275 1
1 700 . 18 1 1 A 57 57 GLU HA H 57 4.334 4.628 -0.294 1
1 705 . 18 1 1 A 57 57 GLU C C 57 177.869 177.395 0.474 1
1 706 . 18 1 1 A 57 57 GLU CA C 57 55.911 55.661 0.250 1
1 707 . 18 1 1 A 57 57 GLU CB C 57 30.193 31.573 -1.380 1
1 709 . 18 1 1 A 57 57 GLU N N 57 121.479 121.118 0.361 1
1 710 . 18 1 1 A 58 58 LYS H H 58 8.513 8.859 -0.346 1
1 711 . 18 1 1 A 58 58 LYS HA H 58 3.811 3.555 0.256 1
1 720 . 18 1 1 A 58 58 LYS C C 58 178.345 177.799 0.546 1
1 721 . 18 1 1 A 58 58 LYS CA C 58 58.526 58.787 -0.261 1
1 722 . 18 1 1 A 58 58 LYS CB C 58 31.265 31.705 -0.440 1
1 726 . 18 1 1 A 58 58 LYS N N 58 120.689 125.953 -5.264 1
1 727 . 18 1 1 A 59 59 SER H H 59 7.912 7.620 0.292 1
1 728 . 18 1 1 A 59 59 SER HA H 59 4.437 4.793 -0.356 1
1 731 . 18 1 1 A 59 59 SER C C 59 174.216 174.403 -0.187 1
1 732 . 18 1 1 A 59 59 SER CA C 59 57.862 58.343 -0.481 1
1 733 . 18 1 1 A 59 59 SER CB C 59 63.682 63.947 -0.265 1
1 734 . 18 1 1 A 59 59 SER N N 59 111.530 113.034 -1.504 1
1 735 . 18 1 1 A 60 60 ARG H H 60 7.477 7.761 -0.284 1
1 736 . 18 1 1 A 60 60 ARG HA H 60 4.199 4.227 -0.028 1
1 744 . 18 1 1 A 60 60 ARG C C 60 174.880 175.935 -1.055 1
1 745 . 18 1 1 A 60 60 ARG CA C 60 55.828 56.405 -0.577 1
1 746 . 18 1 1 A 60 60 ARG CB C 60 31.971 30.814 1.157 1
1 749 . 18 1 1 A 60 60 ARG N N 60 125.535 123.528 2.007 1
1 751 . 18 1 1 A 61 61 ASP H H 61 8.540 8.421 0.119 1
1 752 . 18 1 1 A 61 61 ASP HA H 61 4.903 4.769 0.134 1
1 755 . 18 1 1 A 61 61 ASP C C 61 175.569 175.562 0.007 1
1 756 . 18 1 1 A 61 61 ASP CA C 61 55.438 54.300 1.138 1
1 757 . 18 1 1 A 61 61 ASP CB C 61 40.847 40.066 0.781 1
1 758 . 18 1 1 A 61 61 ASP N N 61 126.761 125.693 1.068 1
1 759 . 18 1 1 A 62 62 ILE H H 62 8.630 9.053 -0.423 1
1 760 . 18 1 1 A 62 62 ILE HA H 62 5.038 4.978 0.060 1
1 770 . 18 1 1 A 62 62 ILE C C 62 174.444 174.210 0.234 1
1 771 . 18 1 1 A 62 62 ILE CA C 62 59.799 60.561 -0.762 1
1 772 . 18 1 1 A 62 62 ILE CB C 62 42.130 39.379 2.751 1
1 776 . 18 1 1 A 62 62 ILE N N 62 125.212 125.201 0.011 1
1 777 . 18 1 1 A 63 63 TYR H H 63 9.026 9.302 -0.276 1
1 778 . 18 1 1 A 63 63 TYR HA H 63 5.230 5.353 -0.123 1
1 785 . 18 1 1 A 63 63 TYR C C 63 175.088 174.361 0.727 1
1 786 . 18 1 1 A 63 63 TYR CA C 63 56.143 56.665 -0.522 1
1 787 . 18 1 1 A 63 63 TYR CB C 63 41.302 40.101 1.201 1
1 792 . 18 1 1 A 63 63 TYR N N 63 125.467 127.095 -1.628 1
1 793 . 18 1 1 A 64 64 VAL H H 64 8.523 9.154 -0.631 1
1 794 . 18 1 1 A 64 64 VAL HA H 64 5.106 4.779 0.327 1
1 802 . 18 1 1 A 64 64 VAL C C 64 174.072 175.209 -1.137 1
1 803 . 18 1 1 A 64 64 VAL CA C 64 60.302 61.703 -1.401 1
1 804 . 18 1 1 A 64 64 VAL CB C 64 35.121 33.151 1.970 1
1 807 . 18 1 1 A 64 64 VAL N N 64 121.014 123.686 -2.672 1
1 808 . 18 1 1 A 65 65 TYR H H 65 8.832 9.037 -0.205 1
1 809 . 18 1 1 A 65 65 TYR HA H 65 5.289 5.999 -0.710 1
1 816 . 18 1 1 A 65 65 TYR C C 65 172.116 173.650 -1.534 1
1 817 . 18 1 1 A 65 65 TYR CA C 65 56.777 55.001 1.776 1
1 818 . 18 1 1 A 65 65 TYR CB C 65 42.528 41.853 0.675 1
1 819 . 18 1 1 A 65 65 TYR N N 65 120.331 122.699 -2.368 1
1 820 . 18 1 1 A 66 66 GLY H H 66 8.278 8.838 -0.560 1
1 821 . 18 1 1 A 66 66 GLY HA2 H 66 3.449 4.101 -0.652 1
1 822 . 18 1 1 A 66 66 GLY HA3 H 66 4.408 4.195 0.213 1
1 823 . 18 1 1 A 66 66 GLY C C 66 173.636 174.680 -1.044 1
1 824 . 18 1 1 A 66 66 GLY CA C 66 43.793 43.737 0.056 1
1 825 . 18 1 1 A 66 66 GLY N N 66 108.458 109.225 -0.767 1
1 826 . 18 1 1 A 67 67 ALA H H 67 9.485 8.779 0.706 1
1 827 . 18 1 1 A 67 67 ALA HA H 67 4.331 4.231 0.100 1
1 831 . 18 1 1 A 67 67 ALA C C 67 176.363 177.108 -0.745 1
1 832 . 18 1 1 A 67 67 ALA CA C 67 52.848 53.237 -0.389 1
1 833 . 18 1 1 A 67 67 ALA CB C 67 18.178 19.804 -1.626 1
1 834 . 18 1 1 A 67 67 ALA N N 67 126.325 120.999 5.326 1
1 835 . 18 1 1 A 68 68 GLY H H 68 7.553 7.693 -0.140 1
1 836 . 18 1 1 A 68 68 GLY HA2 H 68 4.270 4.077 0.193 1
1 837 . 18 1 1 A 68 68 GLY HA3 H 68 4.209 4.087 0.122 1
1 838 . 18 1 1 A 68 68 GLY C C 68 173.695 174.570 -0.875 1
1 839 . 18 1 1 A 68 68 GLY CA C 68 44.112 44.924 -0.812 1
1 840 . 18 1 1 A 68 68 GLY N N 68 106.057 105.269 0.788 1
1 841 . 18 1 1 A 69 69 ASP H H 69 8.904 9.281 -0.377 1
1 842 . 18 1 1 A 69 69 ASP HA H 69 4.408 4.303 0.105 1
1 845 . 18 1 1 A 69 69 ASP C C 69 178.531 178.310 0.221 1
1 846 . 18 1 1 A 69 69 ASP CA C 69 57.592 57.367 0.225 1
1 847 . 18 1 1 A 69 69 ASP CB C 69 40.198 40.285 -0.087 1
1 848 . 18 1 1 A 69 69 ASP N N 69 121.078 121.018 0.060 1
1 849 . 18 1 1 A 70 70 GLU H H 70 8.905 8.266 0.639 1
1 850 . 18 1 1 A 70 70 GLU HA H 70 4.110 4.001 0.109 1
1 855 . 18 1 1 A 70 70 GLU C C 70 178.745 178.744 0.001 1
1 856 . 18 1 1 A 70 70 GLU CA C 70 59.956 59.611 0.345 1
1 857 . 18 1 1 A 70 70 GLU CB C 70 28.534 29.114 -0.580 1
1 859 . 18 1 1 A 70 70 GLU N N 70 120.998 120.468 0.530 1
1 860 . 18 1 1 A 71 71 GLN H H 71 8.453 7.798 0.655 1
1 861 . 18 1 1 A 71 71 GLN HA H 71 4.106 4.066 0.040 1
1 868 . 18 1 1 A 71 71 GLN C C 71 178.164 178.023 0.141 1
1 869 . 18 1 1 A 71 71 GLN CA C 71 59.350 58.462 0.888 1
1 870 . 18 1 1 A 71 71 GLN CB C 71 29.682 28.641 1.041 1
1 872 . 18 1 1 A 71 71 GLN N N 71 121.273 119.076 2.197 1
1 874 . 18 1 1 A 72 72 THR H H 72 8.267 7.872 0.395 1
1 875 . 18 1 1 A 72 72 THR HA H 72 3.524 3.962 -0.438 1
1 880 . 18 1 1 A 72 72 THR C C 72 175.546 176.864 -1.318 1
1 881 . 18 1 1 A 72 72 THR CA C 72 67.395 65.666 1.729 1
1 882 . 18 1 1 A 72 72 THR CB C 72 68.145 68.648 -0.503 1
1 884 . 18 1 1 A 72 72 THR N N 72 115.641 114.598 1.043 1
1 885 . 18 1 1 A 73 73 SER H H 73 8.265 8.223 0.042 1
1 886 . 18 1 1 A 73 73 SER HA H 73 4.029 4.063 -0.034 1
1 889 . 18 1 1 A 73 73 SER C C 73 176.825 177.490 -0.665 1
1 890 . 18 1 1 A 73 73 SER CA C 73 61.746 61.462 0.284 1
1 891 . 18 1 1 A 73 73 SER CB C 73 62.746 62.902 -0.156 1
1 892 . 18 1 1 A 73 73 SER N N 73 115.814 116.275 -0.461 1
1 893 . 18 1 1 A 74 74 GLN H H 74 8.119 8.431 -0.312 1
1 894 . 18 1 1 A 74 74 GLN HA H 74 4.090 4.004 0.086 1
1 901 . 18 1 1 A 74 74 GLN C C 74 178.630 177.752 0.878 1
1 902 . 18 1 1 A 74 74 GLN CA C 74 58.903 58.380 0.523 1
1 903 . 18 1 1 A 74 74 GLN CB C 74 27.943 28.788 -0.845 1
1 905 . 18 1 1 A 74 74 GLN N N 74 121.446 120.457 0.989 1
1 907 . 18 1 1 A 75 75 ALA H H 75 8.210 7.928 0.282 1
1 908 . 18 1 1 A 75 75 ALA HA H 75 3.879 4.019 -0.140 1
1 912 . 18 1 1 A 75 75 ALA C C 75 178.843 179.722 -0.879 1
1 913 . 18 1 1 A 75 75 ALA CA C 75 54.959 55.132 -0.173 1
1 914 . 18 1 1 A 75 75 ALA CB C 75 20.226 18.430 1.796 1
1 915 . 18 1 1 A 75 75 ALA N N 75 121.007 121.955 -0.948 1
1 916 . 18 1 1 A 76 76 VAL H H 76 8.257 8.183 0.074 1
1 917 . 18 1 1 A 76 76 VAL HA H 76 3.472 3.445 0.027 1
1 925 . 18 1 1 A 76 76 VAL C C 76 177.639 178.110 -0.471 1
1 926 . 18 1 1 A 76 76 VAL CA C 76 67.080 66.809 0.271 1
1 927 . 18 1 1 A 76 76 VAL CB C 76 30.945 31.489 -0.544 1
1 930 . 18 1 1 A 76 76 VAL N N 76 116.281 118.723 -2.442 1
1 931 . 18 1 1 A 77 77 ASN H H 77 8.190 8.383 -0.193 1
1 932 . 18 1 1 A 77 77 ASN HA H 77 4.430 4.373 0.057 1
1 937 . 18 1 1 A 77 77 ASN C C 77 178.638 177.894 0.744 1
1 938 . 18 1 1 A 77 77 ASN CA C 77 56.666 56.712 -0.046 1
1 939 . 18 1 1 A 77 77 ASN CB C 77 37.950 39.197 -1.247 1
1 940 . 18 1 1 A 77 77 ASN N N 77 118.786 118.830 -0.044 1
1 942 . 18 1 1 A 78 78 LEU H H 78 8.222 8.104 0.118 1
1 943 . 18 1 1 A 78 78 LEU HA H 78 4.045 4.048 -0.003 1
1 953 . 18 1 1 A 78 78 LEU C C 78 180.246 179.577 0.669 1
1 954 . 18 1 1 A 78 78 LEU CA C 78 57.926 58.063 -0.137 1
1 955 . 18 1 1 A 78 78 LEU CB C 78 41.892 41.448 0.444 1
1 959 . 18 1 1 A 78 78 LEU N N 78 121.759 119.822 1.937 1
1 960 . 18 1 1 A 79 79 LEU H H 79 7.887 8.244 -0.357 1
1 961 . 18 1 1 A 79 79 LEU HA H 79 4.051 3.875 0.176 1
1 971 . 18 1 1 A 79 79 LEU C C 79 179.804 179.758 0.046 1
1 972 . 18 1 1 A 79 79 LEU CA C 79 57.788 58.110 -0.322 1
1 973 . 18 1 1 A 79 79 LEU CB C 79 41.616 41.095 0.521 1
1 977 . 18 1 1 A 79 79 LEU N N 79 118.127 119.138 -1.011 1
1 978 . 18 1 1 A 80 80 ARG H H 80 8.942 8.278 0.664 1
1 979 . 18 1 1 A 80 80 ARG HA H 80 4.516 4.396 0.120 1
1 987 . 18 1 1 A 80 80 ARG C C 80 181.546 178.520 3.026 1
1 988 . 18 1 1 A 80 80 ARG CA C 80 60.006 58.723 1.283 1
1 989 . 18 1 1 A 80 80 ARG CB C 80 29.510 29.761 -0.251 1
1 992 . 18 1 1 A 80 80 ARG N N 80 120.974 118.914 2.060 1
1 994 . 18 1 1 A 81 81 SER H H 81 8.394 8.276 0.118 1
1 995 . 18 1 1 A 81 81 SER HA H 81 4.307 4.115 0.192 1
1 998 . 18 1 1 A 81 81 SER C C 81 174.601 176.515 -1.914 1
1 999 . 18 1 1 A 81 81 SER CA C 81 61.570 61.453 0.117 1
1 1000 . 18 1 1 A 81 81 SER CB C 81 62.832 63.211 -0.379 1
1 1001 . 18 1 1 A 81 81 SER N N 81 116.329 115.188 1.141 1
1 1002 . 18 1 1 A 82 82 ALA H H 82 7.507 7.446 0.061 1
1 1003 . 18 1 1 A 82 82 ALA HA H 82 4.546 4.419 0.127 1
1 1007 . 18 1 1 A 82 82 ALA C C 82 176.449 177.786 -1.337 1
1 1008 . 18 1 1 A 82 82 ALA CA C 82 51.759 52.147 -0.388 1
1 1009 . 18 1 1 A 82 82 ALA CB C 82 18.850 19.471 -0.621 1
1 1010 . 18 1 1 A 82 82 ALA N N 82 122.576 119.506 3.070 1
1 1011 . 18 1 1 A 83 83 GLY H H 83 7.678 7.886 -0.208 1
1 1012 . 18 1 1 A 83 83 GLY HA2 H 83 3.623 3.911 -0.288 1
1 1013 . 18 1 1 A 83 83 GLY HA3 H 83 4.217 3.975 0.242 1
1 1014 . 18 1 1 A 83 83 GLY C C 83 174.557 174.655 -0.098 1
1 1015 . 18 1 1 A 83 83 GLY CA C 83 44.741 45.094 -0.353 1
1 1016 . 18 1 1 A 83 83 GLY N N 83 104.117 106.705 -2.588 1
1 1017 . 18 1 1 A 84 84 PHE H H 84 7.923 7.886 0.037 1
1 1018 . 18 1 1 A 84 84 PHE HA H 84 4.254 4.418 -0.164 1
1 1026 . 18 1 1 A 84 84 PHE C C 84 176.479 176.010 0.469 1
1 1027 . 18 1 1 A 84 84 PHE CA C 84 60.127 59.335 0.792 1
1 1028 . 18 1 1 A 84 84 PHE CB C 84 36.999 38.825 -1.826 1
1 1034 . 18 1 1 A 84 84 PHE N N 84 119.861 119.721 0.140 1
1 1035 . 18 1 1 A 85 85 GLU H H 85 7.730 9.227 -1.497 1
1 1036 . 18 1 1 A 85 85 GLU HA H 85 3.965 4.329 -0.364 1
1 1041 . 18 1 1 A 85 85 GLU C C 85 176.966 176.809 0.157 1
1 1042 . 18 1 1 A 85 85 GLU CA C 85 57.841 58.911 -1.070 1
1 1043 . 18 1 1 A 85 85 GLU CB C 85 32.054 30.690 1.364 1
1 1045 . 18 1 1 A 85 85 GLU N N 85 122.200 124.266 -2.066 1
1 1046 . 18 1 1 A 86 86 HIS H H 86 9.957 7.733 2.224 1
1 1047 . 18 1 1 A 86 86 HIS HA H 86 4.988 4.850 0.138 1
1 1052 . 18 1 1 A 86 86 HIS C C 86 171.400 174.176 -2.776 1
1 1053 . 18 1 1 A 86 86 HIS CA C 86 53.063 54.925 -1.862 1
1 1054 . 18 1 1 A 86 86 HIS CB C 86 29.823 28.614 1.209 1
1 1057 . 18 1 1 A 86 86 HIS N N 86 122.245 116.962 5.283 1
1 1060 . 18 1 1 A 87 87 VAL H H 87 8.233 8.589 -0.356 1
1 1061 . 18 1 1 A 87 87 VAL HA H 87 4.934 4.830 0.104 1
1 1069 . 18 1 1 A 87 87 VAL C C 87 175.510 174.039 1.471 1
1 1070 . 18 1 1 A 87 87 VAL CA C 87 59.972 60.885 -0.913 1
1 1071 . 18 1 1 A 87 87 VAL CB C 87 33.883 36.094 -2.211 1
1 1074 . 18 1 1 A 87 87 VAL N N 87 120.946 124.236 -3.290 1
1 1075 . 18 1 1 A 88 88 SER H H 88 8.968 8.760 0.208 1
1 1076 . 18 1 1 A 88 88 SER HA H 88 4.869 5.242 -0.373 1
1 1079 . 18 1 1 A 88 88 SER C C 88 174.093 172.903 1.190 1
1 1080 . 18 1 1 A 88 88 SER CA C 88 55.935 56.461 -0.526 1
1 1081 . 18 1 1 A 88 88 SER CB C 88 66.077 65.830 0.247 1
1 1082 . 18 1 1 A 88 88 SER N N 88 121.913 122.011 -0.098 1
1 1083 . 18 1 1 A 89 89 GLU H H 89 8.628 8.581 0.047 1
1 1084 . 18 1 1 A 89 89 GLU HA H 89 4.233 4.814 -0.581 1
1 1089 . 18 1 1 A 89 89 GLU C C 89 175.212 175.243 -0.031 1
1 1090 . 18 1 1 A 89 89 GLU CA C 89 55.728 55.778 -0.050 1
1 1091 . 18 1 1 A 89 89 GLU CB C 89 31.640 30.831 0.809 1
1 1093 . 18 1 1 A 89 89 GLU N N 89 125.288 122.943 2.345 1
1 1094 . 18 1 1 A 90 90 LEU H H 90 8.727 9.048 -0.321 1
1 1095 . 18 1 1 A 90 90 LEU HA H 90 4.829 5.026 -0.197 1
1 1105 . 18 1 1 A 90 90 LEU C C 90 175.893 175.617 0.276 1
1 1106 . 18 1 1 A 90 90 LEU CA C 90 53.771 54.252 -0.481 1
1 1107 . 18 1 1 A 90 90 LEU CB C 90 41.511 43.470 -1.959 1
1 1111 . 18 1 1 A 90 90 LEU N N 90 125.766 126.067 -0.301 1
1 1112 . 18 1 1 A 91 91 LYS H H 91 8.715 8.957 -0.242 1
1 1113 . 18 1 1 A 91 91 LYS HA H 91 4.164 3.923 0.241 1
1 1122 . 18 1 1 A 91 91 LYS C C 91 177.680 177.482 0.198 1
1 1123 . 18 1 1 A 91 91 LYS CA C 91 57.796 58.824 -1.028 1
1 1124 . 18 1 1 A 91 91 LYS CB C 91 31.705 32.256 -0.551 1
1 1128 . 18 1 1 A 91 91 LYS N N 91 131.405 127.367 4.038 1
1 1129 . 18 1 1 A 92 92 GLY H H 92 9.408 8.393 1.015 1
1 1130 . 18 1 1 A 92 92 GLY HA2 H 92 3.828 3.956 -0.128 1
1 1131 . 18 1 1 A 92 92 GLY HA3 H 92 4.268 3.966 0.302 1
1 1132 . 18 1 1 A 92 92 GLY C C 92 175.634 174.879 0.755 1
1 1133 . 18 1 1 A 92 92 GLY CA C 92 46.001 45.091 0.910 1
1 1134 . 18 1 1 A 92 92 GLY N N 92 115.262 111.888 3.374 1
1 1135 . 18 1 1 A 93 93 GLY H H 93 7.616 8.768 -1.152 1
1 1136 . 18 1 1 A 93 93 GLY HA2 H 93 3.429 4.041 -0.612 1
1 1137 . 18 1 1 A 93 93 GLY HA3 H 93 4.276 4.086 0.190 1
1 1138 . 18 1 1 A 93 93 GLY C C 93 172.357 174.604 -2.247 1
1 1139 . 18 1 1 A 93 93 GLY CA C 93 46.436 46.167 0.269 1
1 1140 . 18 1 1 A 93 93 GLY N N 93 106.201 110.329 -4.128 1
1 1141 . 18 1 1 A 94 94 LEU H H 94 8.854 9.024 -0.170 1
1 1142 . 18 1 1 A 94 94 LEU HA H 94 3.643 4.156 -0.513 1
1 1152 . 18 1 1 A 94 94 LEU C C 94 178.092 178.683 -0.591 1
1 1153 . 18 1 1 A 94 94 LEU CA C 94 56.966 57.417 -0.451 1
1 1154 . 18 1 1 A 94 94 LEU CB C 94 41.937 41.624 0.313 1
1 1158 . 18 1 1 A 94 94 LEU N N 94 124.279 125.593 -1.314 1
1 1159 . 18 1 1 A 95 95 ALA H H 95 8.683 8.292 0.391 1
1 1160 . 18 1 1 A 95 95 ALA HA H 95 4.061 4.031 0.030 1
1 1164 . 18 1 1 A 95 95 ALA C C 95 180.877 179.652 1.225 1
1 1165 . 18 1 1 A 95 95 ALA CA C 95 55.406 55.878 -0.472 1
1 1166 . 18 1 1 A 95 95 ALA CB C 95 18.053 17.875 0.178 1
1 1167 . 18 1 1 A 95 95 ALA N N 95 120.253 120.987 -0.734 1
1 1168 . 18 1 1 A 96 96 ALA H H 96 7.249 7.812 -0.563 1
1 1169 . 18 1 1 A 96 96 ALA HA H 96 4.132 4.065 0.067 1
1 1173 . 18 1 1 A 96 96 ALA C C 96 179.350 179.394 -0.044 1
1 1174 . 18 1 1 A 96 96 ALA CA C 96 54.429 55.200 -0.771 1
1 1175 . 18 1 1 A 96 96 ALA CB C 96 18.580 18.541 0.039 1
1 1176 . 18 1 1 A 96 96 ALA N N 96 121.080 119.761 1.319 1
1 1177 . 18 1 1 A 97 97 TRP H H 97 7.636 7.923 -0.287 1
1 1178 . 18 1 1 A 97 97 TRP HA H 97 4.051 4.186 -0.135 1
1 1187 . 18 1 1 A 97 97 TRP C C 97 178.223 178.303 -0.080 1
1 1188 . 18 1 1 A 97 97 TRP CA C 97 59.343 61.603 -2.260 1
1 1189 . 18 1 1 A 97 97 TRP CB C 97 29.734 29.801 -0.067 1
1 1195 . 18 1 1 A 97 97 TRP N N 97 119.015 120.921 -1.906 1
1 1197 . 18 1 1 A 98 98 LYS H H 98 8.764 8.485 0.279 1
1 1198 . 18 1 1 A 98 98 LYS HA H 98 3.886 4.114 -0.228 1
1 1207 . 18 1 1 A 98 98 LYS C C 98 180.503 179.213 1.290 1
1 1208 . 18 1 1 A 98 98 LYS CA C 98 59.365 59.355 0.010 1
1 1209 . 18 1 1 A 98 98 LYS CB C 98 31.899 32.428 -0.529 1
1 1213 . 18 1 1 A 98 98 LYS N N 98 117.855 118.797 -0.942 1
1 1214 . 18 1 1 A 99 99 ALA H H 99 7.802 8.479 -0.677 1
1 1215 . 18 1 1 A 99 99 ALA HA H 99 4.139 4.044 0.095 1
1 1219 . 18 1 1 A 99 99 ALA C C 99 179.188 179.357 -0.169 1
1 1220 . 18 1 1 A 99 99 ALA CA C 99 54.521 54.995 -0.474 1
1 1221 . 18 1 1 A 99 99 ALA CB C 99 18.016 18.145 -0.129 1
1 1222 . 18 1 1 A 99 99 ALA N N 99 121.263 121.909 -0.646 1
1 1223 . 18 1 1 A 100 100 ILE H H 100 6.803 7.561 -0.758 1
1 1224 . 18 1 1 A 100 100 ILE HA H 100 4.509 4.092 0.417 1
1 1234 . 18 1 1 A 100 100 ILE C C 100 175.810 176.542 -0.732 1
1 1235 . 18 1 1 A 100 100 ILE CA C 100 59.964 60.577 -0.613 1
1 1236 . 18 1 1 A 100 100 ILE CB C 100 37.866 37.050 0.816 1
1 1240 . 18 1 1 A 100 100 ILE N N 100 107.978 111.405 -3.427 1
1 1241 . 18 1 1 A 101 101 GLY H H 101 7.741 7.904 -0.163 1
1 1242 . 18 1 1 A 101 101 GLY HA2 H 101 3.618 3.916 -0.298 1
1 1243 . 18 1 1 A 101 101 GLY HA3 H 101 3.866 3.916 -0.050 1
1 1244 . 18 1 1 A 101 101 GLY C C 101 175.319 175.175 0.144 1
1 1245 . 18 1 1 A 101 101 GLY CA C 101 45.444 46.500 -1.056 1
1 1246 . 18 1 1 A 101 101 GLY N N 101 109.732 111.080 -1.348 1
1 1247 . 18 1 1 A 102 102 GLY H H 102 7.823 7.981 -0.158 1
1 1248 . 18 1 1 A 102 102 GLY HA2 H 102 2.942 3.080 -0.138 1
1 1249 . 18 1 1 A 102 102 GLY HA3 H 102 2.942 3.664 -0.722 1
1 1250 . 18 1 1 A 102 102 GLY C C 102 171.578 172.932 -1.354 1
1 1251 . 18 1 1 A 102 102 GLY CA C 102 41.964 44.324 -2.360 1
1 1252 . 18 1 1 A 102 102 GLY N N 102 108.608 107.327 1.281 1
1 1253 . 18 1 1 A 103 103 PRO HA H 103 4.643 4.656 -0.013 1
1 1260 . 18 1 1 A 103 103 PRO C C 103 178.778 176.539 2.239 1
1 1261 . 18 1 1 A 103 103 PRO CA C 103 62.843 63.271 -0.428 1
1 1262 . 18 1 1 A 103 103 PRO CB C 103 32.263 31.846 0.417 1
1 1265 . 18 1 1 A 104 104 THR H H 104 8.760 8.477 0.283 1
1 1266 . 18 1 1 A 104 104 THR HA H 104 5.017 5.203 -0.186 1
1 1271 . 18 1 1 A 104 104 THR C C 104 172.498 173.089 -0.591 1
1 1272 . 18 1 1 A 104 104 THR CA C 104 59.729 59.591 0.138 1
1 1273 . 18 1 1 A 104 104 THR CB C 104 72.479 72.181 0.298 1
1 1275 . 18 1 1 A 104 104 THR N N 104 116.086 112.719 3.367 1
1 1276 . 18 1 1 A 105 105 GLU H H 105 8.267 8.757 -0.490 1
1 1277 . 18 1 1 A 105 105 GLU HA H 105 4.499 4.798 -0.299 1
1 1282 . 18 1 1 A 105 105 GLU C C 105 173.848 174.754 -0.906 1
1 1283 . 18 1 1 A 105 105 GLU CA C 105 54.647 54.945 -0.298 1
1 1284 . 18 1 1 A 105 105 GLU CB C 105 34.227 32.234 1.993 1
1 1286 . 18 1 1 A 105 105 GLU N N 105 117.663 119.306 -1.643 1
1 1287 . 18 1 1 A 106 106 GLY H H 106 8.207 8.322 -0.115 1
1 1288 . 18 1 1 A 106 106 GLY HA2 H 106 3.873 4.099 -0.226 1
1 1289 . 18 1 1 A 106 106 GLY HA3 H 106 3.873 4.167 -0.294 1
1 1290 . 18 1 1 A 106 106 GLY C C 106 173.052 174.471 -1.419 1
1 1291 . 18 1 1 A 106 106 GLY CA C 106 44.313 44.285 0.028 1
1 1292 . 18 1 1 A 106 106 GLY N N 106 108.896 108.077 0.819 1
1 1293 . 18 1 1 A 107 107 ILE H H 107 8.333 9.269 -0.936 1
1 1294 . 18 1 1 A 107 107 ILE HA H 107 4.110 3.935 0.175 1
1 1304 . 18 1 1 A 107 107 ILE C C 107 176.773 177.774 -1.001 1
1 1305 . 18 1 1 A 107 107 ILE CA C 107 62.404 64.032 -1.628 1
1 1306 . 18 1 1 A 107 107 ILE CB C 107 38.826 37.831 0.995 1
1 1310 . 18 1 1 A 107 107 ILE N N 107 119.410 119.694 -0.284 1
1 1311 . 18 1 1 A 108 108 ILE H H 108 8.369 8.084 0.285 1
1 1312 . 18 1 1 A 108 108 ILE HA H 108 4.167 3.923 0.244 1
1 1322 . 18 1 1 A 108 108 ILE C C 108 176.821 176.956 -0.135 1
1 1323 . 18 1 1 A 108 108 ILE CA C 108 61.060 64.143 -3.083 1
1 1324 . 18 1 1 A 108 108 ILE CB C 108 37.984 37.867 0.117 1
1 1328 . 18 1 1 A 108 108 ILE N N 108 122.390 119.800 2.590 1
1 1329 . 18 1 1 A 109 109 GLU H H 109 8.127 7.735 0.392 1
1 1330 . 18 1 1 A 109 109 GLU HA H 109 4.218 4.505 -0.287 1
1 1335 . 18 1 1 A 109 109 GLU C C 109 176.438 176.052 0.386 1
1 1336 . 18 1 1 A 109 109 GLU CA C 109 56.548 55.788 0.760 1
1 1337 . 18 1 1 A 109 109 GLU CB C 109 30.178 27.450 2.728 1
1 1339 . 18 1 1 A 109 109 GLU N N 109 123.739 118.295 5.444 1
1 1340 . 18 1 1 A 110 110 SER H H 110 8.291 8.269 0.022 1
1 1341 . 18 1 1 A 110 110 SER HA H 110 4.446 4.689 -0.243 1
1 1344 . 18 1 1 A 110 110 SER C C 110 174.330 173.662 0.668 1
1 1345 . 18 1 1 A 110 110 SER CA C 110 58.252 59.229 -0.977 1
1 1346 . 18 1 1 A 110 110 SER CB C 110 63.598 66.082 -2.484 1
1 1347 . 18 1 1 A 110 110 SER N N 110 116.242 118.292 -2.050 1
1 1348 . 18 1 1 A 111 111 ARG H H 111 8.238 7.522 0.716 1
1 1349 . 18 1 1 A 111 111 ARG HA H 111 4.426 4.476 -0.050 1
1 1357 . 18 1 1 A 111 111 ARG C C 111 176.113 175.689 0.424 1
1 1358 . 18 1 1 A 111 111 ARG CA C 111 55.848 55.573 0.275 1
1 1359 . 18 1 1 A 111 111 ARG CB C 111 30.755 31.113 -0.358 1
1 1362 . 18 1 1 A 111 111 ARG N N 111 122.827 119.161 3.666 1
1 1364 . 18 1 1 A 112 112 THR H H 112 8.229 8.368 -0.139 1
1 1365 . 18 1 1 A 112 112 THR HA H 112 4.573 4.665 -0.092 1
1 1370 . 18 1 1 A 112 112 THR C C 112 172.790 173.459 -0.669 1
1 1371 . 18 1 1 A 112 112 THR CA C 112 59.716 59.718 -0.002 1
1 1372 . 18 1 1 A 112 112 THR CB C 112 69.503 69.451 0.052 1
1 1374 . 18 1 1 A 112 112 THR N N 112 117.863 111.449 6.414 1
1 1375 . 18 1 1 A 113 113 PRO HA H 113 4.388 4.883 -0.495 1
1 1382 . 18 1 1 A 113 113 PRO C C 113 176.605 176.699 -0.094 1
1 1383 . 18 1 1 A 113 113 PRO CA C 113 63.131 62.714 0.417 1
1 1384 . 18 1 1 A 113 113 PRO CB C 113 31.931 31.592 0.339 1
1 1387 . 18 1 1 A 114 114 ALA H H 114 8.422 8.385 0.037 1
1 1388 . 18 1 1 A 114 114 ALA HA H 114 4.284 3.984 0.300 1
1 1392 . 18 1 1 A 114 114 ALA C C 114 178.251 176.874 1.377 1
1 1393 . 18 1 1 A 114 114 ALA CA C 114 52.518 53.867 -1.349 1
1 1394 . 18 1 1 A 114 114 ALA CB C 114 19.131 18.187 0.944 1
1 1395 . 18 1 1 A 114 114 ALA N N 114 124.466 120.922 3.544 1
1 1396 . 18 1 1 A 115 115 GLY H H 115 8.380 8.783 -0.403 1
1 1397 . 18 1 1 A 115 115 GLY HA2 H 115 3.956 4.280 -0.324 1
1 1398 . 18 1 1 A 115 115 GLY HA3 H 115 3.934 4.281 -0.347 1
1 1399 . 18 1 1 A 115 115 GLY C C 115 174.020 172.302 1.718 1
1 1400 . 18 1 1 A 115 115 GLY CA C 115 45.095 45.663 -0.568 1
1 1401 . 18 1 1 A 115 115 GLY N N 115 108.587 105.487 3.100 1
1 1402 . 18 1 1 A 116 116 ALA H H 116 8.127 8.371 -0.244 1
1 1403 . 18 1 1 A 116 116 ALA HA H 116 4.292 4.968 -0.676 1
1 1407 . 18 1 1 A 116 116 ALA C C 116 177.565 175.839 1.726 1
1 1408 . 18 1 1 A 116 116 ALA CA C 116 52.504 51.997 0.507 1
1 1409 . 18 1 1 A 116 116 ALA CB C 116 19.187 20.563 -1.376 1
1 1410 . 18 1 1 A 116 116 ALA N N 116 123.523 123.504 0.019 1
1 1411 . 18 1 1 A 117 117 ASP H H 117 8.316 8.979 -0.663 1
1 1412 . 18 1 1 A 117 117 ASP HA H 117 4.555 5.475 -0.920 1
1 1415 . 18 1 1 A 117 117 ASP C C 117 175.899 174.115 1.784 1
1 1416 . 18 1 1 A 117 117 ASP CA C 117 54.254 53.180 1.074 1
1 1417 . 18 1 1 A 117 117 ASP CB C 117 40.962 44.222 -3.260 1
1 1418 . 18 1 1 A 117 117 ASP N N 117 118.783 124.258 -5.475 1
1 1419 . 18 1 1 A 118 118 ASP H H 118 8.083 8.463 -0.380 1
1 1420 . 18 1 1 A 118 118 ASP HA H 118 4.529 5.062 -0.533 1
1 1423 . 18 1 1 A 118 118 ASP C C 118 176.278 175.374 0.904 1
1 1424 . 18 1 1 A 118 118 ASP CA C 118 54.202 53.449 0.753 1
1 1425 . 18 1 1 A 118 118 ASP CB C 118 40.933 44.654 -3.721 1
1 1426 . 18 1 1 A 118 118 ASP N N 118 119.935 121.906 -1.971 1
1 1427 . 18 1 1 A 119 119 TYR H H 119 8.107 9.099 -0.992 1
1 1428 . 18 1 1 A 119 119 TYR HA H 119 4.450 4.598 -0.148 1
1 1435 . 18 1 1 A 119 119 TYR C C 119 175.825 175.904 -0.079 1
1 1436 . 18 1 1 A 119 119 TYR CA C 119 58.350 60.785 -2.435 1
1 1437 . 18 1 1 A 119 119 TYR CB C 119 38.260 39.726 -1.466 1
1 1442 . 18 1 1 A 119 119 TYR N N 119 120.415 123.003 -2.588 1
1 1443 . 18 1 1 A 120 120 ASN H H 120 8.276 7.580 0.696 1
1 1444 . 18 1 1 A 120 120 ASN HA H 120 4.615 4.233 0.382 1
1 1449 . 18 1 1 A 120 120 ASN C C 120 175.102 174.709 0.393 1
1 1450 . 18 1 1 A 120 120 ASN CA C 120 53.396 55.459 -2.063 1
1 1451 . 18 1 1 A 120 120 ASN CB C 120 38.712 36.775 1.937 1
1 1452 . 18 1 1 A 120 120 ASN N N 120 119.834 116.990 2.844 1
1 1454 . 18 1 1 A 121 121 VAL H H 121 7.897 7.867 0.030 1
1 1455 . 18 1 1 A 121 121 VAL HA H 121 4.009 3.801 0.208 1
1 1463 . 18 1 1 A 121 121 VAL C C 121 176.484 175.411 1.073 1
1 1464 . 18 1 1 A 121 121 VAL CA C 121 62.950 62.885 0.065 1
1 1465 . 18 1 1 A 121 121 VAL CB C 121 32.326 31.008 1.318 1
1 1468 . 18 1 1 A 121 121 VAL N N 121 120.109 119.425 0.684 1
1 1469 . 18 1 1 A 122 122 VAL H H 122 8.091 8.830 -0.739 1
1 1470 . 18 1 1 A 122 122 VAL HA H 122 4.014 4.392 -0.378 1
1 1478 . 18 1 1 A 122 122 VAL C C 122 176.568 175.278 1.290 1
1 1479 . 18 1 1 A 122 122 VAL CA C 122 62.924 61.619 1.305 1
1 1480 . 18 1 1 A 122 122 VAL CB C 122 32.279 32.291 -0.012 1
1 1483 . 18 1 1 A 122 122 VAL N N 122 122.407 128.971 -6.564 1
1 1484 . 18 1 1 A 123 123 SER H H 123 8.228 8.897 -0.669 1
1 1485 . 18 1 1 A 123 123 SER HA H 123 4.385 5.266 -0.881 1
1 1488 . 18 1 1 A 123 123 SER C C 123 174.863 172.745 2.118 1
1 1489 . 18 1 1 A 123 123 SER CA C 123 58.525 56.885 1.640 1
1 1490 . 18 1 1 A 123 123 SER CB C 123 63.450 65.312 -1.862 1
1 1491 . 18 1 1 A 123 123 SER N N 123 118.095 119.920 -1.825 1
1 1492 . 18 1 1 A 124 124 ARG H H 124 8.208 8.794 -0.586 1
1 1493 . 18 1 1 A 124 124 ARG HA H 124 4.297 4.487 -0.190 1
1 1500 . 18 1 1 A 124 124 ARG C C 124 176.328 176.231 0.097 1
1 1501 . 18 1 1 A 124 124 ARG CA C 124 56.408 57.666 -1.258 1
1 1502 . 18 1 1 A 124 124 ARG CB C 124 30.480 31.767 -1.287 1
1 1505 . 18 1 1 A 124 124 ARG N N 124 122.632 127.119 -4.487 1
1 1506 . 18 1 1 A 125 125 LEU H H 125 8.081 8.003 0.078 1
1 1507 . 18 1 1 A 125 125 LEU HA H 125 4.262 3.955 0.307 1
1 1517 . 18 1 1 A 125 125 LEU C C 125 177.375 176.283 1.092 1
1 1518 . 18 1 1 A 125 125 LEU CA C 125 55.282 55.749 -0.467 1
1 1519 . 18 1 1 A 125 125 LEU CB C 125 42.042 40.591 1.451 1
1 1523 . 18 1 1 A 125 125 LEU N N 125 121.964 119.456 2.508 1
1 1524 . 18 1 1 A 126 126 GLU H H 126 8.232 8.417 -0.185 1
1 1525 . 18 1 1 A 126 126 GLU HA H 126 4.179 4.889 -0.710 1
1 1530 . 18 1 1 A 126 126 GLU C C 126 176.238 175.170 1.068 1
1 1531 . 18 1 1 A 126 126 GLU CA C 126 56.451 55.160 1.291 1
1 1532 . 18 1 1 A 126 126 GLU CB C 126 30.131 32.251 -2.120 1
1 14 . 19 1 1 A 2 2 GLU H H 2 8.824 8.717 0.107 1
1 15 . 19 1 1 A 2 2 GLU HA H 2 4.687 4.818 -0.131 1
1 20 . 19 1 1 A 2 2 GLU C C 2 175.506 176.554 -1.048 1
1 21 . 19 1 1 A 2 2 GLU CA C 2 54.603 54.258 0.345 1
1 22 . 19 1 1 A 2 2 GLU CB C 2 29.310 30.576 -1.266 1
1 24 . 19 1 1 A 2 2 GLU N N 2 125.698 125.210 0.488 1
1 25 . 19 1 1 A 3 3 PRO HA H 3 4.398 4.431 -0.033 1
1 32 . 19 1 1 A 3 3 PRO C C 3 176.267 176.637 -0.370 1
1 33 . 19 1 1 A 3 3 PRO CA C 3 64.781 65.046 -0.265 1
1 34 . 19 1 1 A 3 3 PRO CB C 3 31.918 31.832 0.086 1
1 37 . 19 1 1 A 4 4 GLN H H 4 7.738 8.279 -0.541 1
1 38 . 19 1 1 A 4 4 GLN HA H 4 4.908 4.723 0.185 1
1 45 . 19 1 1 A 4 4 GLN C C 4 175.006 175.356 -0.350 1
1 46 . 19 1 1 A 4 4 GLN CA C 4 54.697 54.795 -0.098 1
1 47 . 19 1 1 A 4 4 GLN CB C 4 31.196 29.976 1.220 1
1 49 . 19 1 1 A 4 4 GLN N N 4 114.971 118.048 -3.077 1
1 51 . 19 1 1 A 5 5 SER H H 5 9.180 8.758 0.422 1
1 52 . 19 1 1 A 5 5 SER HA H 5 4.825 4.289 0.536 1
1 55 . 19 1 1 A 5 5 SER C C 5 172.669 173.525 -0.856 1
1 56 . 19 1 1 A 5 5 SER CA C 5 58.100 58.078 0.022 1
1 57 . 19 1 1 A 5 5 SER CB C 5 65.536 63.361 2.175 1
1 58 . 19 1 1 A 5 5 SER N N 5 117.801 121.056 -3.255 1
1 59 . 19 1 1 A 6 6 ASP H H 6 8.386 8.298 0.088 1
1 60 . 19 1 1 A 6 6 ASP HA H 6 4.841 4.542 0.299 1
1 63 . 19 1 1 A 6 6 ASP C C 6 177.071 177.007 0.064 1
1 64 . 19 1 1 A 6 6 ASP CA C 6 53.810 54.308 -0.498 1
1 65 . 19 1 1 A 6 6 ASP CB C 6 42.427 42.958 -0.531 1
1 66 . 19 1 1 A 6 6 ASP N N 6 123.042 125.082 -2.040 1
1 67 . 19 1 1 A 7 7 ALA H H 7 9.312 8.831 0.481 1
1 68 . 19 1 1 A 7 7 ALA HA H 7 4.036 4.050 -0.014 1
1 72 . 19 1 1 A 7 7 ALA C C 7 178.859 179.923 -1.064 1
1 73 . 19 1 1 A 7 7 ALA CA C 7 55.703 55.107 0.596 1
1 74 . 19 1 1 A 7 7 ALA CB C 7 17.952 18.302 -0.350 1
1 75 . 19 1 1 A 7 7 ALA N N 7 123.976 127.869 -3.893 1
1 76 . 19 1 1 A 8 8 HIS H H 8 8.537 7.346 1.191 1
1 77 . 19 1 1 A 8 8 HIS HA H 8 3.950 4.261 -0.311 1
1 82 . 19 1 1 A 8 8 HIS C C 8 178.023 177.794 0.229 1
1 83 . 19 1 1 A 8 8 HIS CA C 8 59.778 57.889 1.889 1
1 84 . 19 1 1 A 8 8 HIS CB C 8 29.039 28.443 0.596 1
1 87 . 19 1 1 A 8 8 HIS N N 8 114.303 115.508 -1.205 1
1 90 . 19 1 1 A 9 9 VAL H H 9 7.567 7.944 -0.377 1
1 91 . 19 1 1 A 9 9 VAL HA H 9 3.709 3.513 0.196 1
1 99 . 19 1 1 A 9 9 VAL C C 9 178.518 178.304 0.214 1
1 100 . 19 1 1 A 9 9 VAL CA C 9 65.508 66.903 -1.395 1
1 101 . 19 1 1 A 9 9 VAL CB C 9 31.604 31.199 0.405 1
1 104 . 19 1 1 A 9 9 VAL N N 9 121.235 121.268 -0.033 1
1 105 . 19 1 1 A 10 10 LEU H H 10 7.219 8.075 -0.856 1
1 106 . 19 1 1 A 10 10 LEU HA H 10 3.716 3.981 -0.265 1
1 116 . 19 1 1 A 10 10 LEU C C 10 177.133 178.107 -0.974 1
1 117 . 19 1 1 A 10 10 LEU CA C 10 57.133 58.462 -1.329 1
1 118 . 19 1 1 A 10 10 LEU CB C 10 40.756 41.074 -0.318 1
1 122 . 19 1 1 A 10 10 LEU N N 10 120.890 120.272 0.618 1
1 123 . 19 1 1 A 11 11 LYS H H 11 8.568 8.290 0.278 1
1 124 . 19 1 1 A 11 11 LYS HA H 11 3.943 3.874 0.069 1
1 133 . 19 1 1 A 11 11 LYS C C 11 178.143 178.864 -0.721 1
1 134 . 19 1 1 A 11 11 LYS CA C 11 60.388 59.624 0.764 1
1 135 . 19 1 1 A 11 11 LYS CB C 11 32.354 31.883 0.471 1
1 139 . 19 1 1 A 11 11 LYS N N 11 120.361 119.662 0.699 1
1 140 . 19 1 1 A 12 12 SER H H 12 7.865 8.616 -0.751 1
1 141 . 19 1 1 A 12 12 SER HA H 12 4.225 4.410 -0.185 1
1 144 . 19 1 1 A 12 12 SER C C 12 175.839 177.264 -1.425 1
1 145 . 19 1 1 A 12 12 SER CA C 12 61.626 61.391 0.235 1
1 146 . 19 1 1 A 12 12 SER CB C 12 62.749 62.274 0.475 1
1 147 . 19 1 1 A 12 12 SER N N 12 113.173 115.754 -2.581 1
1 148 . 19 1 1 A 13 13 ARG H H 13 7.701 7.701 0.000 1
1 149 . 19 1 1 A 13 13 ARG HA H 13 3.827 4.228 -0.401 1
1 157 . 19 1 1 A 13 13 ARG C C 13 178.606 179.319 -0.713 1
1 158 . 19 1 1 A 13 13 ARG CA C 13 58.926 59.005 -0.079 1
1 159 . 19 1 1 A 13 13 ARG CB C 13 29.616 29.818 -0.202 1
1 162 . 19 1 1 A 13 13 ARG N N 13 122.104 122.217 -0.113 1
1 164 . 19 1 1 A 14 14 LEU H H 14 8.308 8.118 0.190 1
1 165 . 19 1 1 A 14 14 LEU HA H 14 4.219 4.434 -0.215 1
1 175 . 19 1 1 A 14 14 LEU C C 14 178.590 178.773 -0.183 1
1 176 . 19 1 1 A 14 14 LEU CA C 14 57.904 58.372 -0.468 1
1 177 . 19 1 1 A 14 14 LEU CB C 14 42.627 42.302 0.325 1
1 181 . 19 1 1 A 14 14 LEU N N 14 119.549 121.895 -2.346 1
1 182 . 19 1 1 A 15 15 GLU H H 15 7.824 8.196 -0.372 1
1 183 . 19 1 1 A 15 15 GLU HA H 15 3.998 4.214 -0.216 1
1 188 . 19 1 1 A 15 15 GLU C C 15 177.805 176.923 0.882 1
1 189 . 19 1 1 A 15 15 GLU CA C 15 58.219 57.903 0.316 1
1 190 . 19 1 1 A 15 15 GLU CB C 15 29.865 30.545 -0.680 1
1 192 . 19 1 1 A 15 15 GLU N N 15 116.921 118.068 -1.147 1
1 193 . 19 1 1 A 16 16 TRP H H 16 7.905 8.318 -0.413 1
1 194 . 19 1 1 A 16 16 TRP HA H 16 4.895 4.799 0.096 1
1 203 . 19 1 1 A 16 16 TRP C C 16 176.778 176.778 0.000 1
1 204 . 19 1 1 A 16 16 TRP CA C 16 57.033 58.373 -1.340 1
1 205 . 19 1 1 A 16 16 TRP CB C 16 30.513 31.297 -0.784 1
1 211 . 19 1 1 A 16 16 TRP N N 16 116.589 116.865 -0.276 1
1 213 . 19 1 1 A 17 17 GLY H H 17 8.007 8.167 -0.160 1
1 214 . 19 1 1 A 17 17 GLY HA2 H 17 3.979 4.219 -0.240 1
1 215 . 19 1 1 A 17 17 GLY HA3 H 17 4.200 4.242 -0.042 1
1 216 . 19 1 1 A 17 17 GLY C C 17 173.650 173.357 0.293 1
1 217 . 19 1 1 A 17 17 GLY CA C 17 44.786 44.484 0.302 1
1 218 . 19 1 1 A 17 17 GLY N N 17 108.398 107.833 0.565 1
1 219 . 19 1 1 A 18 18 GLU H H 18 8.483 8.610 -0.127 1
1 220 . 19 1 1 A 18 18 GLU HA H 18 4.534 4.849 -0.315 1
1 225 . 19 1 1 A 18 18 GLU C C 18 176.535 175.755 0.780 1
1 226 . 19 1 1 A 18 18 GLU CA C 18 54.615 53.638 0.977 1
1 227 . 19 1 1 A 18 18 GLU CB C 18 29.654 29.933 -0.279 1
1 229 . 19 1 1 A 18 18 GLU N N 18 121.984 119.909 2.075 1
1 230 . 19 1 1 A 19 19 PRO HA H 19 4.549 4.130 0.419 1
1 237 . 19 1 1 A 19 19 PRO C C 19 176.737 175.689 1.048 1
1 238 . 19 1 1 A 19 19 PRO CA C 19 63.685 62.607 1.078 1
1 239 . 19 1 1 A 19 19 PRO CB C 19 30.940 29.444 1.496 1
1 242 . 19 1 1 A 20 20 ALA H H 20 8.386 8.403 -0.017 1
1 243 . 19 1 1 A 20 20 ALA HA H 20 4.536 4.394 0.142 1
1 247 . 19 1 1 A 20 20 ALA C C 20 174.844 176.526 -1.682 1
1 248 . 19 1 1 A 20 20 ALA CA C 20 51.312 52.064 -0.752 1
1 249 . 19 1 1 A 20 20 ALA CB C 20 17.883 19.213 -1.330 1
1 250 . 19 1 1 A 20 20 ALA N N 20 126.537 124.504 2.033 1
1 251 . 19 1 1 A 21 21 PHE H H 21 7.244 7.101 0.143 1
1 252 . 19 1 1 A 21 21 PHE HA H 21 5.485 5.401 0.084 1
1 260 . 19 1 1 A 21 21 PHE C C 21 173.639 174.119 -0.480 1
1 261 . 19 1 1 A 21 21 PHE CA C 21 55.312 54.968 0.344 1
1 262 . 19 1 1 A 21 21 PHE CB C 21 41.581 42.536 -0.955 1
1 268 . 19 1 1 A 21 21 PHE N N 21 115.447 114.746 0.701 1
1 269 . 19 1 1 A 22 22 THR H H 22 9.203 8.680 0.523 1
1 270 . 19 1 1 A 22 22 THR HA H 22 4.583 4.984 -0.401 1
1 275 . 19 1 1 A 22 22 THR C C 22 171.987 173.169 -1.182 1
1 276 . 19 1 1 A 22 22 THR CA C 22 62.368 61.437 0.931 1
1 277 . 19 1 1 A 22 22 THR CB C 22 72.961 71.072 1.889 1
1 279 . 19 1 1 A 22 22 THR N N 22 119.035 114.425 4.610 1
1 280 . 19 1 1 A 23 23 ILE H H 23 9.318 9.239 0.079 1
1 281 . 19 1 1 A 23 23 ILE HA H 23 5.172 5.239 -0.067 1
1 291 . 19 1 1 A 23 23 ILE C C 23 173.969 175.567 -1.598 1
1 292 . 19 1 1 A 23 23 ILE CA C 23 59.958 61.164 -1.206 1
1 293 . 19 1 1 A 23 23 ILE CB C 23 40.273 38.250 2.023 1
1 297 . 19 1 1 A 23 23 ILE N N 23 127.452 128.925 -1.473 1
1 298 . 19 1 1 A 24 24 LEU H H 24 9.522 9.162 0.360 1
1 299 . 19 1 1 A 24 24 LEU HA H 24 4.871 5.074 -0.203 1
1 309 . 19 1 1 A 24 24 LEU C C 24 172.823 174.910 -2.087 1
1 310 . 19 1 1 A 24 24 LEU CA C 24 53.100 53.145 -0.045 1
1 311 . 19 1 1 A 24 24 LEU CB C 24 44.522 43.768 0.754 1
1 315 . 19 1 1 A 24 24 LEU N N 24 127.148 128.447 -1.299 1
1 316 . 19 1 1 A 25 25 ASP H H 25 8.325 8.945 -0.620 1
1 317 . 19 1 1 A 25 25 ASP HA H 25 4.112 4.138 -0.026 1
1 320 . 19 1 1 A 25 25 ASP C C 25 177.457 176.803 0.654 1
1 321 . 19 1 1 A 25 25 ASP CA C 25 51.097 53.054 -1.957 1
1 322 . 19 1 1 A 25 25 ASP CB C 25 43.056 40.867 2.189 1
1 323 . 19 1 1 A 25 25 ASP N N 25 122.856 124.555 -1.699 1
1 324 . 19 1 1 A 26 26 VAL H H 26 7.924 7.885 0.039 1
1 325 . 19 1 1 A 26 26 VAL HA H 26 4.964 4.935 0.029 1
1 333 . 19 1 1 A 26 26 VAL C C 26 176.585 176.907 -0.322 1
1 334 . 19 1 1 A 26 26 VAL CA C 26 59.554 61.136 -1.582 1
1 335 . 19 1 1 A 26 26 VAL CB C 26 30.002 31.947 -1.945 1
1 338 . 19 1 1 A 26 26 VAL N N 26 117.391 119.364 -1.973 1
1 339 . 19 1 1 A 27 27 ARG H H 27 7.773 7.437 0.336 1
1 340 . 19 1 1 A 27 27 ARG HA H 27 4.418 4.063 0.355 1
1 352 . 19 1 1 A 27 27 ARG C C 27 173.931 176.007 -2.076 1
1 353 . 19 1 1 A 27 27 ARG CA C 27 55.487 58.575 -3.088 1
1 354 . 19 1 1 A 27 27 ARG CB C 27 30.337 30.890 -0.553 1
1 357 . 19 1 1 A 27 27 ARG N N 27 121.126 120.700 0.426 1
1 361 . 19 1 1 A 28 28 ASP H H 28 7.792 7.737 0.055 1
1 362 . 19 1 1 A 28 28 ASP HA H 28 4.431 4.814 -0.383 1
1 365 . 19 1 1 A 28 28 ASP C C 28 176.402 175.887 0.515 1
1 366 . 19 1 1 A 28 28 ASP CA C 28 54.427 53.805 0.622 1
1 367 . 19 1 1 A 28 28 ASP CB C 28 41.498 44.009 -2.511 1
1 368 . 19 1 1 A 28 28 ASP N N 28 115.368 114.750 0.618 1
1 369 . 19 1 1 A 29 29 ARG H H 29 8.781 8.731 0.050 1
1 370 . 19 1 1 A 29 29 ARG HA H 29 3.853 3.887 -0.034 1
1 378 . 19 1 1 A 29 29 ARG C C 29 177.811 177.813 -0.002 1
1 379 . 19 1 1 A 29 29 ARG CA C 29 58.920 59.964 -1.044 1
1 380 . 19 1 1 A 29 29 ARG CB C 29 29.762 30.054 -0.292 1
1 383 . 19 1 1 A 29 29 ARG N N 29 121.538 125.606 -4.068 1
1 385 . 19 1 1 A 30 30 SER H H 30 8.478 8.118 0.360 1
1 386 . 19 1 1 A 30 30 SER HA H 30 4.190 4.211 -0.021 1
1 389 . 19 1 1 A 30 30 SER C C 30 176.814 176.432 0.382 1
1 390 . 19 1 1 A 30 30 SER CA C 30 61.929 62.645 -0.716 1
1 391 . 19 1 1 A 30 30 SER CB C 30 62.051 63.039 -0.988 1
1 392 . 19 1 1 A 30 30 SER N N 30 113.937 117.085 -3.148 1
1 393 . 19 1 1 A 31 31 THR H H 31 7.724 7.739 -0.015 1
1 394 . 19 1 1 A 31 31 THR HA H 31 4.096 3.929 0.167 1
1 399 . 19 1 1 A 31 31 THR C C 31 176.940 176.095 0.845 1
1 400 . 19 1 1 A 31 31 THR CA C 31 66.078 66.572 -0.494 1
1 401 . 19 1 1 A 31 31 THR CB C 31 67.583 68.398 -0.815 1
1 403 . 19 1 1 A 31 31 THR N N 31 120.025 117.439 2.586 1
1 404 . 19 1 1 A 32 32 TYR H H 32 8.186 8.534 -0.348 1
1 405 . 19 1 1 A 32 32 TYR HA H 32 4.009 4.122 -0.113 1
1 410 . 19 1 1 A 32 32 TYR C C 32 180.166 177.222 2.944 1
1 411 . 19 1 1 A 32 32 TYR CA C 32 61.797 62.511 -0.714 1
1 412 . 19 1 1 A 32 32 TYR CB C 32 37.300 38.581 -1.281 1
1 415 . 19 1 1 A 32 32 TYR N N 32 123.636 122.193 1.443 1
1 416 . 19 1 1 A 33 33 ASN H H 33 8.838 8.113 0.725 1
1 417 . 19 1 1 A 33 33 ASN HA H 33 4.435 4.247 0.188 1
1 422 . 19 1 1 A 33 33 ASN C C 33 176.730 177.554 -0.824 1
1 423 . 19 1 1 A 33 33 ASN CA C 33 55.167 56.319 -1.152 1
1 424 . 19 1 1 A 33 33 ASN CB C 33 37.308 37.658 -0.350 1
1 425 . 19 1 1 A 33 33 ASN N N 33 122.000 118.185 3.815 1
1 427 . 19 1 1 A 34 34 ASP H H 34 7.510 8.155 -0.645 1
1 428 . 19 1 1 A 34 34 ASP HA H 34 4.587 4.435 0.152 1
1 431 . 19 1 1 A 34 34 ASP C C 34 177.045 176.588 0.457 1
1 432 . 19 1 1 A 34 34 ASP CA C 34 56.487 56.542 -0.055 1
1 433 . 19 1 1 A 34 34 ASP CB C 34 40.822 41.216 -0.394 1
1 434 . 19 1 1 A 34 34 ASP N N 34 119.832 118.362 1.470 1
1 435 . 19 1 1 A 35 35 GLY H H 35 7.412 7.203 0.209 1
1 436 . 19 1 1 A 35 35 GLY HA2 H 35 3.997 3.967 0.030 1
1 437 . 19 1 1 A 35 35 GLY HA3 H 35 3.997 4.039 -0.042 1
1 438 . 19 1 1 A 35 35 GLY C C 35 171.246 171.532 -0.286 1
1 439 . 19 1 1 A 35 35 GLY CA C 35 46.441 45.972 0.469 1
1 440 . 19 1 1 A 35 35 GLY N N 35 106.611 104.907 1.704 1
1 441 . 19 1 1 A 36 36 HIS H H 36 8.441 8.902 -0.461 1
1 442 . 19 1 1 A 36 36 HIS HA H 36 4.782 5.393 -0.611 1
1 447 . 19 1 1 A 36 36 HIS C C 36 172.800 173.663 -0.863 1
1 448 . 19 1 1 A 36 36 HIS CA C 36 53.425 53.808 -0.383 1
1 449 . 19 1 1 A 36 36 HIS CB C 36 31.978 32.007 -0.029 1
1 452 . 19 1 1 A 36 36 HIS N N 36 117.929 119.872 -1.943 1
1 455 . 19 1 1 A 37 37 ILE H H 37 8.087 8.968 -0.881 1
1 456 . 19 1 1 A 37 37 ILE HA H 37 3.223 3.591 -0.368 1
1 466 . 19 1 1 A 37 37 ILE C C 37 175.423 176.318 -0.895 1
1 467 . 19 1 1 A 37 37 ILE CA C 37 64.607 61.856 2.751 1
1 468 . 19 1 1 A 37 37 ILE CB C 37 37.269 37.528 -0.259 1
1 472 . 19 1 1 A 37 37 ILE N N 37 120.831 121.161 -0.330 1
1 473 . 19 1 1 A 38 38 MET H H 38 7.625 8.333 -0.708 1
1 474 . 19 1 1 A 38 38 MET HA H 38 3.953 4.198 -0.245 1
1 482 . 19 1 1 A 38 38 MET C C 38 174.632 177.126 -2.494 1
1 483 . 19 1 1 A 38 38 MET CA C 38 57.865 56.815 1.050 1
1 484 . 19 1 1 A 38 38 MET CB C 38 32.882 32.263 0.619 1
1 487 . 19 1 1 A 38 38 MET N N 38 128.683 125.870 2.813 1
1 488 . 19 1 1 A 39 39 GLY H H 39 8.795 9.138 -0.343 1
1 489 . 19 1 1 A 39 39 GLY HA2 H 39 3.727 3.972 -0.245 1
1 490 . 19 1 1 A 39 39 GLY HA3 H 39 4.345 3.995 0.350 1
1 491 . 19 1 1 A 39 39 GLY C C 39 175.442 174.862 0.580 1
1 492 . 19 1 1 A 39 39 GLY CA C 39 44.964 45.620 -0.656 1
1 493 . 19 1 1 A 39 39 GLY N N 39 113.814 114.205 -0.391 1
1 494 . 19 1 1 A 40 40 ALA H H 40 8.566 8.137 0.429 1
1 495 . 19 1 1 A 40 40 ALA HA H 40 4.656 4.544 0.112 1
1 499 . 19 1 1 A 40 40 ALA C C 40 177.459 177.292 0.167 1
1 500 . 19 1 1 A 40 40 ALA CA C 40 52.139 52.112 0.027 1
1 501 . 19 1 1 A 40 40 ALA CB C 40 20.657 20.545 0.112 1
1 502 . 19 1 1 A 40 40 ALA N N 40 122.444 124.159 -1.715 1
1 503 . 19 1 1 A 41 41 MET H H 41 9.268 8.788 0.480 1
1 504 . 19 1 1 A 41 41 MET HA H 41 4.478 4.670 -0.192 1
1 512 . 19 1 1 A 41 41 MET C C 41 174.328 175.590 -1.262 1
1 513 . 19 1 1 A 41 41 MET CA C 41 54.330 54.400 -0.070 1
1 514 . 19 1 1 A 41 41 MET CB C 41 34.473 32.945 1.528 1
1 517 . 19 1 1 A 41 41 MET N N 41 123.908 120.374 3.534 1
1 518 . 19 1 1 A 42 42 ALA H H 42 8.162 8.343 -0.181 1
1 519 . 19 1 1 A 42 42 ALA HA H 42 3.870 4.084 -0.214 1
1 523 . 19 1 1 A 42 42 ALA C C 42 177.157 175.919 1.238 1
1 524 . 19 1 1 A 42 42 ALA CA C 42 51.888 50.342 1.546 1
1 525 . 19 1 1 A 42 42 ALA CB C 42 16.282 19.058 -2.776 1
1 526 . 19 1 1 A 42 42 ALA N N 42 126.936 124.122 2.814 1
1 527 . 19 1 1 A 43 43 MET H H 43 8.109 8.508 -0.399 1
1 528 . 19 1 1 A 43 43 MET HA H 43 4.386 4.970 -0.584 1
1 536 . 19 1 1 A 43 43 MET C C 43 168.952 173.713 -4.761 1
1 537 . 19 1 1 A 43 43 MET CA C 43 53.535 52.464 1.071 1
1 538 . 19 1 1 A 43 43 MET CB C 43 34.346 33.124 1.222 1
1 541 . 19 1 1 A 43 43 MET N N 43 125.282 122.989 2.293 1
1 542 . 19 1 1 A 44 44 PRO HA H 44 3.949 4.568 -0.619 1
1 549 . 19 1 1 A 44 44 PRO C C 44 179.070 178.030 1.040 1
1 550 . 19 1 1 A 44 44 PRO CA C 44 62.524 63.092 -0.568 1
1 551 . 19 1 1 A 44 44 PRO CB C 44 32.611 31.939 0.672 1
1 554 . 19 1 1 A 45 45 ILE H H 45 7.764 8.618 -0.854 1
1 555 . 19 1 1 A 45 45 ILE HA H 45 3.851 3.900 -0.049 1
1 565 . 19 1 1 A 45 45 ILE C C 45 175.827 177.438 -1.611 1
1 566 . 19 1 1 A 45 45 ILE CA C 45 64.676 63.627 1.049 1
1 567 . 19 1 1 A 45 45 ILE CB C 45 38.991 37.945 1.046 1
1 571 . 19 1 1 A 45 45 ILE N N 45 121.655 125.728 -4.073 1
1 572 . 19 1 1 A 46 46 GLU H H 46 9.102 8.729 0.373 1
1 573 . 19 1 1 A 46 46 GLU HA H 46 4.056 4.070 -0.014 1
1 578 . 19 1 1 A 46 46 GLU C C 46 176.499 177.882 -1.383 1
1 579 . 19 1 1 A 46 46 GLU CA C 46 59.349 59.384 -0.035 1
1 580 . 19 1 1 A 46 46 GLU CB C 46 28.456 29.181 -0.725 1
1 582 . 19 1 1 A 46 46 GLU N N 46 121.004 119.669 1.335 1
1 583 . 19 1 1 A 47 47 ASP H H 47 7.729 8.004 -0.275 1
1 584 . 19 1 1 A 47 47 ASP HA H 47 5.059 4.514 0.545 1
1 587 . 19 1 1 A 47 47 ASP C C 47 175.683 177.648 -1.965 1
1 588 . 19 1 1 A 47 47 ASP CA C 47 53.266 55.775 -2.509 1
1 589 . 19 1 1 A 47 47 ASP CB C 47 42.048 40.801 1.247 1
1 590 . 19 1 1 A 47 47 ASP N N 47 117.171 120.341 -3.170 1
1 591 . 19 1 1 A 48 48 LEU H H 48 7.193 7.841 -0.648 1
1 592 . 19 1 1 A 48 48 LEU HA H 48 3.690 3.898 -0.208 1
1 602 . 19 1 1 A 48 48 LEU C C 48 176.829 178.408 -1.579 1
1 603 . 19 1 1 A 48 48 LEU CA C 48 58.905 58.778 0.127 1
1 604 . 19 1 1 A 48 48 LEU CB C 48 43.334 41.872 1.462 1
1 608 . 19 1 1 A 48 48 LEU N N 48 121.314 121.625 -0.311 1
1 609 . 19 1 1 A 49 49 VAL H H 49 8.507 7.964 0.543 1
1 610 . 19 1 1 A 49 49 VAL HA H 49 3.290 3.552 -0.262 1
1 618 . 19 1 1 A 49 49 VAL C C 49 178.915 177.305 1.610 1
1 619 . 19 1 1 A 49 49 VAL CA C 49 67.886 67.036 0.850 1
1 620 . 19 1 1 A 49 49 VAL CB C 49 30.881 31.658 -0.777 1
1 623 . 19 1 1 A 49 49 VAL N N 49 116.698 119.357 -2.659 1
1 624 . 19 1 1 A 50 50 ASP H H 50 8.474 8.182 0.292 1
1 625 . 19 1 1 A 50 50 ASP HA H 50 4.396 4.417 -0.021 1
1 628 . 19 1 1 A 50 50 ASP C C 50 178.890 179.318 -0.428 1
1 629 . 19 1 1 A 50 50 ASP CA C 50 57.477 57.368 0.109 1
1 630 . 19 1 1 A 50 50 ASP CB C 50 40.945 40.176 0.769 1
1 631 . 19 1 1 A 50 50 ASP N N 50 121.526 119.204 2.322 1
1 632 . 19 1 1 A 51 51 ARG H H 51 8.334 8.171 0.163 1
1 633 . 19 1 1 A 51 51 ARG HA H 51 4.079 3.970 0.109 1
1 641 . 19 1 1 A 51 51 ARG C C 51 179.634 178.698 0.936 1
1 642 . 19 1 1 A 51 51 ARG CA C 51 58.378 59.141 -0.763 1
1 643 . 19 1 1 A 51 51 ARG CB C 51 29.692 30.119 -0.427 1
1 646 . 19 1 1 A 51 51 ARG N N 51 118.666 119.452 -0.786 1
1 648 . 19 1 1 A 52 52 ALA H H 52 9.250 8.278 0.972 1
1 649 . 19 1 1 A 52 52 ALA HA H 52 3.752 4.082 -0.330 1
1 653 . 19 1 1 A 52 52 ALA C C 52 179.710 179.888 -0.178 1
1 654 . 19 1 1 A 52 52 ALA CA C 52 55.830 55.037 0.793 1
1 655 . 19 1 1 A 52 52 ALA CB C 52 18.164 18.642 -0.478 1
1 656 . 19 1 1 A 52 52 ALA N N 52 124.004 122.207 1.797 1
1 657 . 19 1 1 A 53 53 SER H H 53 8.392 8.432 -0.040 1
1 658 . 19 1 1 A 53 53 SER HA H 53 4.457 4.413 0.044 1
1 661 . 19 1 1 A 53 53 SER C C 53 175.807 176.415 -0.608 1
1 662 . 19 1 1 A 53 53 SER CA C 53 62.214 61.559 0.655 1
1 663 . 19 1 1 A 53 53 SER CB C 53 62.805 62.597 0.208 1
1 664 . 19 1 1 A 53 53 SER N N 53 111.154 113.661 -2.507 1
1 665 . 19 1 1 A 54 54 SER H H 54 7.570 8.067 -0.497 1
1 666 . 19 1 1 A 54 54 SER HA H 54 4.512 4.245 0.267 1
1 669 . 19 1 1 A 54 54 SER C C 54 175.210 175.774 -0.564 1
1 670 . 19 1 1 A 54 54 SER CA C 54 59.567 61.456 -1.889 1
1 671 . 19 1 1 A 54 54 SER CB C 54 63.902 62.049 1.853 1
1 672 . 19 1 1 A 54 54 SER N N 54 112.745 116.403 -3.658 1
1 673 . 19 1 1 A 55 55 SER H H 55 7.501 7.698 -0.197 1
1 674 . 19 1 1 A 55 55 SER HA H 55 4.744 4.683 0.061 1
1 677 . 19 1 1 A 55 55 SER C C 55 173.106 173.324 -0.218 1
1 678 . 19 1 1 A 55 55 SER CA C 55 59.905 58.076 1.829 1
1 679 . 19 1 1 A 55 55 SER CB C 55 65.881 64.619 1.262 1
1 680 . 19 1 1 A 55 55 SER N N 55 113.238 114.611 -1.373 1
1 681 . 19 1 1 A 56 56 LEU H H 56 8.320 7.670 0.650 1
1 682 . 19 1 1 A 56 56 LEU HA H 56 4.823 4.917 -0.094 1
1 692 . 19 1 1 A 56 56 LEU C C 56 175.441 175.165 0.276 1
1 693 . 19 1 1 A 56 56 LEU CA C 56 53.476 53.460 0.016 1
1 694 . 19 1 1 A 56 56 LEU CB C 56 44.655 45.902 -1.247 1
1 698 . 19 1 1 A 56 56 LEU N N 56 122.043 122.608 -0.565 1
1 699 . 19 1 1 A 57 57 GLU H H 57 8.510 8.849 -0.339 1
1 700 . 19 1 1 A 57 57 GLU HA H 57 4.334 4.838 -0.504 1
1 705 . 19 1 1 A 57 57 GLU C C 57 177.869 176.792 1.077 1
1 706 . 19 1 1 A 57 57 GLU CA C 57 55.911 54.619 1.292 1
1 707 . 19 1 1 A 57 57 GLU CB C 57 30.193 32.953 -2.760 1
1 709 . 19 1 1 A 57 57 GLU N N 57 121.479 121.526 -0.047 1
1 710 . 19 1 1 A 58 58 LYS H H 58 8.513 8.887 -0.374 1
1 711 . 19 1 1 A 58 58 LYS HA H 58 3.811 3.826 -0.015 1
1 720 . 19 1 1 A 58 58 LYS C C 58 178.345 178.446 -0.101 1
1 721 . 19 1 1 A 58 58 LYS CA C 58 58.526 59.072 -0.546 1
1 722 . 19 1 1 A 58 58 LYS CB C 58 31.265 31.890 -0.625 1
1 726 . 19 1 1 A 58 58 LYS N N 58 120.689 126.854 -6.165 1
1 727 . 19 1 1 A 59 59 SER H H 59 7.912 7.623 0.289 1
1 728 . 19 1 1 A 59 59 SER HA H 59 4.437 4.575 -0.138 1
1 731 . 19 1 1 A 59 59 SER C C 59 174.216 174.745 -0.529 1
1 732 . 19 1 1 A 59 59 SER CA C 59 57.862 59.602 -1.740 1
1 733 . 19 1 1 A 59 59 SER CB C 59 63.682 63.974 -0.292 1
1 734 . 19 1 1 A 59 59 SER N N 59 111.530 113.529 -1.999 1
1 735 . 19 1 1 A 60 60 ARG H H 60 7.477 7.541 -0.064 1
1 736 . 19 1 1 A 60 60 ARG HA H 60 4.199 4.079 0.120 1
1 744 . 19 1 1 A 60 60 ARG C C 60 174.880 175.500 -0.620 1
1 745 . 19 1 1 A 60 60 ARG CA C 60 55.828 56.260 -0.432 1
1 746 . 19 1 1 A 60 60 ARG CB C 60 31.971 30.407 1.564 1
1 749 . 19 1 1 A 60 60 ARG N N 60 125.535 121.534 4.001 1
1 751 . 19 1 1 A 61 61 ASP H H 61 8.540 8.517 0.023 1
1 752 . 19 1 1 A 61 61 ASP HA H 61 4.903 4.647 0.256 1
1 755 . 19 1 1 A 61 61 ASP C C 61 175.569 174.585 0.984 1
1 756 . 19 1 1 A 61 61 ASP CA C 61 55.438 54.446 0.992 1
1 757 . 19 1 1 A 61 61 ASP CB C 61 40.847 40.980 -0.133 1
1 758 . 19 1 1 A 61 61 ASP N N 61 126.761 126.468 0.293 1
1 759 . 19 1 1 A 62 62 ILE H H 62 8.630 8.760 -0.130 1
1 760 . 19 1 1 A 62 62 ILE HA H 62 5.038 4.848 0.190 1
1 770 . 19 1 1 A 62 62 ILE C C 62 174.444 173.991 0.453 1
1 771 . 19 1 1 A 62 62 ILE CA C 62 59.799 60.093 -0.294 1
1 772 . 19 1 1 A 62 62 ILE CB C 62 42.130 40.698 1.432 1
1 776 . 19 1 1 A 62 62 ILE N N 62 125.212 127.120 -1.908 1
1 777 . 19 1 1 A 63 63 TYR H H 63 9.026 9.363 -0.337 1
1 778 . 19 1 1 A 63 63 TYR HA H 63 5.230 5.428 -0.198 1
1 785 . 19 1 1 A 63 63 TYR C C 63 175.088 174.476 0.612 1
1 786 . 19 1 1 A 63 63 TYR CA C 63 56.143 56.562 -0.419 1
1 787 . 19 1 1 A 63 63 TYR CB C 63 41.302 41.064 0.238 1
1 792 . 19 1 1 A 63 63 TYR N N 63 125.467 126.815 -1.348 1
1 793 . 19 1 1 A 64 64 VAL H H 64 8.523 9.093 -0.570 1
1 794 . 19 1 1 A 64 64 VAL HA H 64 5.106 4.839 0.267 1
1 802 . 19 1 1 A 64 64 VAL C C 64 174.072 175.118 -1.046 1
1 803 . 19 1 1 A 64 64 VAL CA C 64 60.302 61.710 -1.408 1
1 804 . 19 1 1 A 64 64 VAL CB C 64 35.121 33.289 1.832 1
1 807 . 19 1 1 A 64 64 VAL N N 64 121.014 123.592 -2.578 1
1 808 . 19 1 1 A 65 65 TYR H H 65 8.832 9.121 -0.289 1
1 809 . 19 1 1 A 65 65 TYR HA H 65 5.289 5.728 -0.439 1
1 816 . 19 1 1 A 65 65 TYR C C 65 172.116 173.577 -1.461 1
1 817 . 19 1 1 A 65 65 TYR CA C 65 56.777 55.130 1.647 1
1 818 . 19 1 1 A 65 65 TYR CB C 65 42.528 42.007 0.521 1
1 819 . 19 1 1 A 65 65 TYR N N 65 120.331 122.670 -2.339 1
1 820 . 19 1 1 A 66 66 GLY H H 66 8.278 9.119 -0.841 1
1 821 . 19 1 1 A 66 66 GLY HA2 H 66 3.449 4.035 -0.586 1
1 822 . 19 1 1 A 66 66 GLY HA3 H 66 4.408 4.136 0.272 1
1 823 . 19 1 1 A 66 66 GLY C C 66 173.636 174.768 -1.132 1
1 824 . 19 1 1 A 66 66 GLY CA C 66 43.793 43.896 -0.103 1
1 825 . 19 1 1 A 66 66 GLY N N 66 108.458 109.153 -0.695 1
1 826 . 19 1 1 A 67 67 ALA H H 67 9.485 8.746 0.739 1
1 827 . 19 1 1 A 67 67 ALA HA H 67 4.331 4.207 0.124 1
1 831 . 19 1 1 A 67 67 ALA C C 67 176.363 177.210 -0.847 1
1 832 . 19 1 1 A 67 67 ALA CA C 67 52.848 53.247 -0.399 1
1 833 . 19 1 1 A 67 67 ALA CB C 67 18.178 19.821 -1.643 1
1 834 . 19 1 1 A 67 67 ALA N N 67 126.325 121.120 5.205 1
1 835 . 19 1 1 A 68 68 GLY H H 68 7.553 7.614 -0.061 1
1 836 . 19 1 1 A 68 68 GLY HA2 H 68 4.270 4.050 0.220 1
1 837 . 19 1 1 A 68 68 GLY HA3 H 68 4.209 4.062 0.147 1
1 838 . 19 1 1 A 68 68 GLY C C 68 173.695 174.405 -0.710 1
1 839 . 19 1 1 A 68 68 GLY CA C 68 44.112 45.450 -1.338 1
1 840 . 19 1 1 A 68 68 GLY N N 68 106.057 104.402 1.655 1
1 841 . 19 1 1 A 69 69 ASP H H 69 8.904 9.081 -0.177 1
1 842 . 19 1 1 A 69 69 ASP HA H 69 4.408 4.330 0.078 1
1 845 . 19 1 1 A 69 69 ASP C C 69 178.531 178.357 0.174 1
1 846 . 19 1 1 A 69 69 ASP CA C 69 57.592 57.263 0.329 1
1 847 . 19 1 1 A 69 69 ASP CB C 69 40.198 40.224 -0.026 1
1 848 . 19 1 1 A 69 69 ASP N N 69 121.078 120.038 1.040 1
1 849 . 19 1 1 A 70 70 GLU H H 70 8.905 8.276 0.629 1
1 850 . 19 1 1 A 70 70 GLU HA H 70 4.110 4.026 0.084 1
1 855 . 19 1 1 A 70 70 GLU C C 70 178.745 179.055 -0.310 1
1 856 . 19 1 1 A 70 70 GLU CA C 70 59.956 59.690 0.266 1
1 857 . 19 1 1 A 70 70 GLU CB C 70 28.534 29.093 -0.559 1
1 859 . 19 1 1 A 70 70 GLU N N 70 120.998 120.166 0.832 1
1 860 . 19 1 1 A 71 71 GLN H H 71 8.453 7.818 0.635 1
1 861 . 19 1 1 A 71 71 GLN HA H 71 4.106 4.078 0.028 1
1 868 . 19 1 1 A 71 71 GLN C C 71 178.164 178.560 -0.396 1
1 869 . 19 1 1 A 71 71 GLN CA C 71 59.350 58.575 0.775 1
1 870 . 19 1 1 A 71 71 GLN CB C 71 29.682 28.088 1.594 1
1 872 . 19 1 1 A 71 71 GLN N N 71 121.273 118.911 2.362 1
1 874 . 19 1 1 A 72 72 THR H H 72 8.267 8.039 0.228 1
1 875 . 19 1 1 A 72 72 THR HA H 72 3.524 3.883 -0.359 1
1 880 . 19 1 1 A 72 72 THR C C 72 175.546 176.389 -0.843 1
1 881 . 19 1 1 A 72 72 THR CA C 72 67.395 66.438 0.957 1
1 882 . 19 1 1 A 72 72 THR CB C 72 68.145 69.031 -0.886 1
1 884 . 19 1 1 A 72 72 THR N N 72 115.641 117.315 -1.674 1
1 885 . 19 1 1 A 73 73 SER H H 73 8.265 8.264 0.001 1
1 886 . 19 1 1 A 73 73 SER HA H 73 4.029 4.161 -0.132 1
1 889 . 19 1 1 A 73 73 SER C C 73 176.825 177.101 -0.276 1
1 890 . 19 1 1 A 73 73 SER CA C 73 61.746 61.204 0.542 1
1 891 . 19 1 1 A 73 73 SER CB C 73 62.746 63.067 -0.321 1
1 892 . 19 1 1 A 73 73 SER N N 73 115.814 115.214 0.600 1
1 893 . 19 1 1 A 74 74 GLN H H 74 8.119 8.020 0.099 1
1 894 . 19 1 1 A 74 74 GLN HA H 74 4.090 4.037 0.053 1
1 901 . 19 1 1 A 74 74 GLN C C 74 178.630 177.945 0.685 1
1 902 . 19 1 1 A 74 74 GLN CA C 74 58.903 58.407 0.496 1
1 903 . 19 1 1 A 74 74 GLN CB C 74 27.943 28.852 -0.909 1
1 905 . 19 1 1 A 74 74 GLN N N 74 121.446 120.439 1.007 1
1 907 . 19 1 1 A 75 75 ALA H H 75 8.210 7.955 0.255 1
1 908 . 19 1 1 A 75 75 ALA HA H 75 3.879 4.029 -0.150 1
1 912 . 19 1 1 A 75 75 ALA C C 75 178.843 179.917 -1.074 1
1 913 . 19 1 1 A 75 75 ALA CA C 75 54.959 55.202 -0.243 1
1 914 . 19 1 1 A 75 75 ALA CB C 75 20.226 18.195 2.031 1
1 915 . 19 1 1 A 75 75 ALA N N 75 121.007 122.068 -1.061 1
1 916 . 19 1 1 A 76 76 VAL H H 76 8.257 7.919 0.338 1
1 917 . 19 1 1 A 76 76 VAL HA H 76 3.472 3.473 -0.001 1
1 925 . 19 1 1 A 76 76 VAL C C 76 177.639 177.829 -0.190 1
1 926 . 19 1 1 A 76 76 VAL CA C 76 67.080 66.957 0.123 1
1 927 . 19 1 1 A 76 76 VAL CB C 76 30.945 31.550 -0.605 1
1 930 . 19 1 1 A 76 76 VAL N N 76 116.281 119.143 -2.862 1
1 931 . 19 1 1 A 77 77 ASN H H 77 8.190 8.004 0.186 1
1 932 . 19 1 1 A 77 77 ASN HA H 77 4.430 4.400 0.030 1
1 937 . 19 1 1 A 77 77 ASN C C 77 178.638 177.877 0.761 1
1 938 . 19 1 1 A 77 77 ASN CA C 77 56.666 56.636 0.030 1
1 939 . 19 1 1 A 77 77 ASN CB C 77 37.950 39.472 -1.522 1
1 940 . 19 1 1 A 77 77 ASN N N 77 118.786 118.754 0.032 1
1 942 . 19 1 1 A 78 78 LEU H H 78 8.222 7.921 0.301 1
1 943 . 19 1 1 A 78 78 LEU HA H 78 4.045 4.022 0.023 1
1 953 . 19 1 1 A 78 78 LEU C C 78 180.246 179.709 0.537 1
1 954 . 19 1 1 A 78 78 LEU CA C 78 57.926 58.239 -0.313 1
1 955 . 19 1 1 A 78 78 LEU CB C 78 41.892 41.694 0.198 1
1 959 . 19 1 1 A 78 78 LEU N N 78 121.759 119.927 1.832 1
1 960 . 19 1 1 A 79 79 LEU H H 79 7.887 8.009 -0.122 1
1 961 . 19 1 1 A 79 79 LEU HA H 79 4.051 3.924 0.127 1
1 971 . 19 1 1 A 79 79 LEU C C 79 179.804 179.806 -0.002 1
1 972 . 19 1 1 A 79 79 LEU CA C 79 57.788 58.144 -0.356 1
1 973 . 19 1 1 A 79 79 LEU CB C 79 41.616 41.202 0.414 1
1 977 . 19 1 1 A 79 79 LEU N N 79 118.127 119.391 -1.264 1
1 978 . 19 1 1 A 80 80 ARG H H 80 8.942 8.337 0.605 1
1 979 . 19 1 1 A 80 80 ARG HA H 80 4.516 4.444 0.072 1
1 987 . 19 1 1 A 80 80 ARG C C 80 181.546 178.418 3.128 1
1 988 . 19 1 1 A 80 80 ARG CA C 80 60.006 58.426 1.580 1
1 989 . 19 1 1 A 80 80 ARG CB C 80 29.510 29.722 -0.212 1
1 992 . 19 1 1 A 80 80 ARG N N 80 120.974 118.988 1.986 1
1 994 . 19 1 1 A 81 81 SER H H 81 8.394 8.297 0.097 1
1 995 . 19 1 1 A 81 81 SER HA H 81 4.307 4.235 0.072 1
1 998 . 19 1 1 A 81 81 SER C C 81 174.601 175.848 -1.247 1
1 999 . 19 1 1 A 81 81 SER CA C 81 61.570 61.236 0.334 1
1 1000 . 19 1 1 A 81 81 SER CB C 81 62.832 63.067 -0.235 1
1 1001 . 19 1 1 A 81 81 SER N N 81 116.329 115.471 0.858 1
1 1002 . 19 1 1 A 82 82 ALA H H 82 7.507 7.736 -0.229 1
1 1003 . 19 1 1 A 82 82 ALA HA H 82 4.546 4.418 0.128 1
1 1007 . 19 1 1 A 82 82 ALA C C 82 176.449 177.949 -1.500 1
1 1008 . 19 1 1 A 82 82 ALA CA C 82 51.759 51.986 -0.227 1
1 1009 . 19 1 1 A 82 82 ALA CB C 82 18.850 19.125 -0.275 1
1 1010 . 19 1 1 A 82 82 ALA N N 82 122.576 120.113 2.463 1
1 1011 . 19 1 1 A 83 83 GLY H H 83 7.678 7.951 -0.273 1
1 1012 . 19 1 1 A 83 83 GLY HA2 H 83 3.623 3.893 -0.270 1
1 1013 . 19 1 1 A 83 83 GLY HA3 H 83 4.217 3.967 0.250 1
1 1014 . 19 1 1 A 83 83 GLY C C 83 174.557 174.561 -0.004 1
1 1015 . 19 1 1 A 83 83 GLY CA C 83 44.741 45.103 -0.362 1
1 1016 . 19 1 1 A 83 83 GLY N N 83 104.117 106.942 -2.825 1
1 1017 . 19 1 1 A 84 84 PHE H H 84 7.923 7.741 0.182 1
1 1018 . 19 1 1 A 84 84 PHE HA H 84 4.254 4.418 -0.164 1
1 1026 . 19 1 1 A 84 84 PHE C C 84 176.479 175.815 0.664 1
1 1027 . 19 1 1 A 84 84 PHE CA C 84 60.127 59.287 0.840 1
1 1028 . 19 1 1 A 84 84 PHE CB C 84 36.999 38.669 -1.670 1
1 1034 . 19 1 1 A 84 84 PHE N N 84 119.861 119.534 0.327 1
1 1035 . 19 1 1 A 85 85 GLU H H 85 7.730 9.198 -1.468 1
1 1036 . 19 1 1 A 85 85 GLU HA H 85 3.965 4.342 -0.377 1
1 1041 . 19 1 1 A 85 85 GLU C C 85 176.966 177.353 -0.387 1
1 1042 . 19 1 1 A 85 85 GLU CA C 85 57.841 58.839 -0.998 1
1 1043 . 19 1 1 A 85 85 GLU CB C 85 32.054 30.576 1.478 1
1 1045 . 19 1 1 A 85 85 GLU N N 85 122.200 124.780 -2.580 1
1 1046 . 19 1 1 A 86 86 HIS H H 86 9.957 7.984 1.973 1
1 1047 . 19 1 1 A 86 86 HIS HA H 86 4.988 4.736 0.252 1
1 1052 . 19 1 1 A 86 86 HIS C C 86 171.400 174.034 -2.634 1
1 1053 . 19 1 1 A 86 86 HIS CA C 86 53.063 54.938 -1.875 1
1 1054 . 19 1 1 A 86 86 HIS CB C 86 29.823 27.903 1.920 1
1 1057 . 19 1 1 A 86 86 HIS N N 86 122.245 117.008 5.237 1
1 1060 . 19 1 1 A 87 87 VAL H H 87 8.233 8.434 -0.201 1
1 1061 . 19 1 1 A 87 87 VAL HA H 87 4.934 5.057 -0.123 1
1 1069 . 19 1 1 A 87 87 VAL C C 87 175.510 174.289 1.221 1
1 1070 . 19 1 1 A 87 87 VAL CA C 87 59.972 60.809 -0.837 1
1 1071 . 19 1 1 A 87 87 VAL CB C 87 33.883 35.386 -1.503 1
1 1074 . 19 1 1 A 87 87 VAL N N 87 120.946 124.387 -3.441 1
1 1075 . 19 1 1 A 88 88 SER H H 88 8.968 9.374 -0.406 1
1 1076 . 19 1 1 A 88 88 SER HA H 88 4.869 5.428 -0.559 1
1 1079 . 19 1 1 A 88 88 SER C C 88 174.093 173.161 0.932 1
1 1080 . 19 1 1 A 88 88 SER CA C 88 55.935 56.564 -0.629 1
1 1081 . 19 1 1 A 88 88 SER CB C 88 66.077 66.866 -0.789 1
1 1082 . 19 1 1 A 88 88 SER N N 88 121.913 122.412 -0.499 1
1 1083 . 19 1 1 A 89 89 GLU H H 89 8.628 8.606 0.022 1
1 1084 . 19 1 1 A 89 89 GLU HA H 89 4.233 4.905 -0.672 1
1 1089 . 19 1 1 A 89 89 GLU C C 89 175.212 175.438 -0.226 1
1 1090 . 19 1 1 A 89 89 GLU CA C 89 55.728 55.445 0.283 1
1 1091 . 19 1 1 A 89 89 GLU CB C 89 31.640 31.224 0.416 1
1 1093 . 19 1 1 A 89 89 GLU N N 89 125.288 122.402 2.886 1
1 1094 . 19 1 1 A 90 90 LEU H H 90 8.727 8.936 -0.209 1
1 1095 . 19 1 1 A 90 90 LEU HA H 90 4.829 4.760 0.069 1
1 1105 . 19 1 1 A 90 90 LEU C C 90 175.893 175.951 -0.058 1
1 1106 . 19 1 1 A 90 90 LEU CA C 90 53.771 54.666 -0.895 1
1 1107 . 19 1 1 A 90 90 LEU CB C 90 41.511 42.874 -1.363 1
1 1111 . 19 1 1 A 90 90 LEU N N 90 125.766 126.759 -0.993 1
1 1112 . 19 1 1 A 91 91 LYS H H 91 8.715 8.884 -0.169 1
1 1113 . 19 1 1 A 91 91 LYS HA H 91 4.164 3.867 0.297 1
1 1122 . 19 1 1 A 91 91 LYS C C 91 177.680 177.411 0.269 1
1 1123 . 19 1 1 A 91 91 LYS CA C 91 57.796 58.648 -0.852 1
1 1124 . 19 1 1 A 91 91 LYS CB C 91 31.705 32.121 -0.416 1
1 1128 . 19 1 1 A 91 91 LYS N N 91 131.405 127.308 4.097 1
1 1129 . 19 1 1 A 92 92 GLY H H 92 9.408 8.505 0.903 1
1 1130 . 19 1 1 A 92 92 GLY HA2 H 92 3.828 3.976 -0.148 1
1 1131 . 19 1 1 A 92 92 GLY HA3 H 92 4.268 3.976 0.292 1
1 1132 . 19 1 1 A 92 92 GLY C C 92 175.634 174.662 0.972 1
1 1133 . 19 1 1 A 92 92 GLY CA C 92 46.001 45.010 0.991 1
1 1134 . 19 1 1 A 92 92 GLY N N 92 115.262 112.678 2.584 1
1 1135 . 19 1 1 A 93 93 GLY H H 93 7.616 8.702 -1.086 1
1 1136 . 19 1 1 A 93 93 GLY HA2 H 93 3.429 4.095 -0.666 1
1 1137 . 19 1 1 A 93 93 GLY HA3 H 93 4.276 4.157 0.119 1
1 1138 . 19 1 1 A 93 93 GLY C C 93 172.357 174.937 -2.580 1
1 1139 . 19 1 1 A 93 93 GLY CA C 93 46.436 46.093 0.343 1
1 1140 . 19 1 1 A 93 93 GLY N N 93 106.201 108.963 -2.762 1
1 1141 . 19 1 1 A 94 94 LEU H H 94 8.854 8.730 0.124 1
1 1142 . 19 1 1 A 94 94 LEU HA H 94 3.643 4.212 -0.569 1
1 1152 . 19 1 1 A 94 94 LEU C C 94 178.092 178.715 -0.623 1
1 1153 . 19 1 1 A 94 94 LEU CA C 94 56.966 57.836 -0.870 1
1 1154 . 19 1 1 A 94 94 LEU CB C 94 41.937 41.883 0.054 1
1 1158 . 19 1 1 A 94 94 LEU N N 94 124.279 125.686 -1.407 1
1 1159 . 19 1 1 A 95 95 ALA H H 95 8.683 8.296 0.387 1
1 1160 . 19 1 1 A 95 95 ALA HA H 95 4.061 4.020 0.041 1
1 1164 . 19 1 1 A 95 95 ALA C C 95 180.877 179.760 1.117 1
1 1165 . 19 1 1 A 95 95 ALA CA C 95 55.406 55.340 0.066 1
1 1166 . 19 1 1 A 95 95 ALA CB C 95 18.053 18.011 0.042 1
1 1167 . 19 1 1 A 95 95 ALA N N 95 120.253 120.664 -0.411 1
1 1168 . 19 1 1 A 96 96 ALA H H 96 7.249 7.869 -0.620 1
1 1169 . 19 1 1 A 96 96 ALA HA H 96 4.132 4.087 0.045 1
1 1173 . 19 1 1 A 96 96 ALA C C 96 179.350 179.575 -0.225 1
1 1174 . 19 1 1 A 96 96 ALA CA C 96 54.429 54.971 -0.542 1
1 1175 . 19 1 1 A 96 96 ALA CB C 96 18.580 18.461 0.119 1
1 1176 . 19 1 1 A 96 96 ALA N N 96 121.080 119.647 1.433 1
1 1177 . 19 1 1 A 97 97 TRP H H 97 7.636 8.092 -0.456 1
1 1178 . 19 1 1 A 97 97 TRP HA H 97 4.051 4.123 -0.072 1
1 1187 . 19 1 1 A 97 97 TRP C C 97 178.223 178.217 0.006 1
1 1188 . 19 1 1 A 97 97 TRP CA C 97 59.343 61.606 -2.263 1
1 1189 . 19 1 1 A 97 97 TRP CB C 97 29.734 29.818 -0.084 1
1 1195 . 19 1 1 A 97 97 TRP N N 97 119.015 121.199 -2.184 1
1 1197 . 19 1 1 A 98 98 LYS H H 98 8.764 8.503 0.261 1
1 1198 . 19 1 1 A 98 98 LYS HA H 98 3.886 4.108 -0.222 1
1 1207 . 19 1 1 A 98 98 LYS C C 98 180.503 179.241 1.262 1
1 1208 . 19 1 1 A 98 98 LYS CA C 98 59.365 59.387 -0.022 1
1 1209 . 19 1 1 A 98 98 LYS CB C 98 31.899 32.262 -0.363 1
1 1213 . 19 1 1 A 98 98 LYS N N 98 117.855 118.754 -0.899 1
1 1214 . 19 1 1 A 99 99 ALA H H 99 7.802 8.286 -0.484 1
1 1215 . 19 1 1 A 99 99 ALA HA H 99 4.139 4.104 0.035 1
1 1219 . 19 1 1 A 99 99 ALA C C 99 179.188 179.348 -0.160 1
1 1220 . 19 1 1 A 99 99 ALA CA C 99 54.521 54.956 -0.435 1
1 1221 . 19 1 1 A 99 99 ALA CB C 99 18.016 18.286 -0.270 1
1 1222 . 19 1 1 A 99 99 ALA N N 99 121.263 121.355 -0.092 1
1 1223 . 19 1 1 A 100 100 ILE H H 100 6.803 7.733 -0.930 1
1 1224 . 19 1 1 A 100 100 ILE HA H 100 4.509 4.111 0.398 1
1 1234 . 19 1 1 A 100 100 ILE C C 100 175.810 176.647 -0.837 1
1 1235 . 19 1 1 A 100 100 ILE CA C 100 59.964 60.551 -0.587 1
1 1236 . 19 1 1 A 100 100 ILE CB C 100 37.866 37.184 0.682 1
1 1240 . 19 1 1 A 100 100 ILE N N 100 107.978 111.234 -3.256 1
1 1241 . 19 1 1 A 101 101 GLY H H 101 7.741 7.820 -0.079 1
1 1242 . 19 1 1 A 101 101 GLY HA2 H 101 3.618 3.887 -0.269 1
1 1243 . 19 1 1 A 101 101 GLY HA3 H 101 3.866 3.894 -0.028 1
1 1244 . 19 1 1 A 101 101 GLY C C 101 175.319 175.123 0.196 1
1 1245 . 19 1 1 A 101 101 GLY CA C 101 45.444 46.674 -1.230 1
1 1246 . 19 1 1 A 101 101 GLY N N 101 109.732 111.038 -1.306 1
1 1247 . 19 1 1 A 102 102 GLY H H 102 7.823 7.938 -0.115 1
1 1248 . 19 1 1 A 102 102 GLY HA2 H 102 2.942 3.111 -0.169 1
1 1249 . 19 1 1 A 102 102 GLY HA3 H 102 2.942 3.757 -0.815 1
1 1250 . 19 1 1 A 102 102 GLY C C 102 171.578 172.880 -1.302 1
1 1251 . 19 1 1 A 102 102 GLY CA C 102 41.964 44.006 -2.042 1
1 1252 . 19 1 1 A 102 102 GLY N N 102 108.608 107.465 1.143 1
1 1253 . 19 1 1 A 103 103 PRO HA H 103 4.643 4.719 -0.076 1
1 1260 . 19 1 1 A 103 103 PRO C C 103 178.778 176.721 2.057 1
1 1261 . 19 1 1 A 103 103 PRO CA C 103 62.843 63.390 -0.547 1
1 1262 . 19 1 1 A 103 103 PRO CB C 103 32.263 32.007 0.256 1
1 1265 . 19 1 1 A 104 104 THR H H 104 8.760 8.645 0.115 1
1 1266 . 19 1 1 A 104 104 THR HA H 104 5.017 5.200 -0.183 1
1 1271 . 19 1 1 A 104 104 THR C C 104 172.498 173.325 -0.827 1
1 1272 . 19 1 1 A 104 104 THR CA C 104 59.729 59.695 0.034 1
1 1273 . 19 1 1 A 104 104 THR CB C 104 72.479 72.362 0.117 1
1 1275 . 19 1 1 A 104 104 THR N N 104 116.086 112.854 3.232 1
1 1276 . 19 1 1 A 105 105 GLU H H 105 8.267 8.542 -0.275 1
1 1277 . 19 1 1 A 105 105 GLU HA H 105 4.499 4.860 -0.361 1
1 1282 . 19 1 1 A 105 105 GLU C C 105 173.848 174.747 -0.899 1
1 1283 . 19 1 1 A 105 105 GLU CA C 105 54.647 54.925 -0.278 1
1 1284 . 19 1 1 A 105 105 GLU CB C 105 34.227 32.761 1.466 1
1 1286 . 19 1 1 A 105 105 GLU N N 105 117.663 119.443 -1.780 1
1 1287 . 19 1 1 A 106 106 GLY H H 106 8.207 8.268 -0.061 1
1 1288 . 19 1 1 A 106 106 GLY HA2 H 106 3.873 4.082 -0.209 1
1 1289 . 19 1 1 A 106 106 GLY HA3 H 106 3.873 4.234 -0.361 1
1 1290 . 19 1 1 A 106 106 GLY C C 106 173.052 174.164 -1.112 1
1 1291 . 19 1 1 A 106 106 GLY CA C 106 44.313 44.452 -0.139 1
1 1292 . 19 1 1 A 106 106 GLY N N 106 108.896 107.916 0.980 1
1 1293 . 19 1 1 A 107 107 ILE H H 107 8.333 9.162 -0.829 1
1 1294 . 19 1 1 A 107 107 ILE HA H 107 4.110 4.135 -0.025 1
1 1304 . 19 1 1 A 107 107 ILE C C 107 176.773 177.481 -0.708 1
1 1305 . 19 1 1 A 107 107 ILE CA C 107 62.404 63.360 -0.956 1
1 1306 . 19 1 1 A 107 107 ILE CB C 107 38.826 38.376 0.450 1
1 1310 . 19 1 1 A 107 107 ILE N N 107 119.410 120.366 -0.956 1
1 1311 . 19 1 1 A 108 108 ILE H H 108 8.369 7.882 0.487 1
1 1312 . 19 1 1 A 108 108 ILE HA H 108 4.167 3.576 0.591 1
1 1322 . 19 1 1 A 108 108 ILE C C 108 176.821 178.867 -2.046 1
1 1323 . 19 1 1 A 108 108 ILE CA C 108 61.060 64.954 -3.894 1
1 1324 . 19 1 1 A 108 108 ILE CB C 108 37.984 37.321 0.663 1
1 1328 . 19 1 1 A 108 108 ILE N N 108 122.390 119.740 2.650 1
1 1329 . 19 1 1 A 109 109 GLU H H 109 8.127 7.844 0.283 1
1 1330 . 19 1 1 A 109 109 GLU HA H 109 4.218 4.175 0.043 1
1 1335 . 19 1 1 A 109 109 GLU C C 109 176.438 177.237 -0.799 1
1 1336 . 19 1 1 A 109 109 GLU CA C 109 56.548 58.730 -2.182 1
1 1337 . 19 1 1 A 109 109 GLU CB C 109 30.178 29.265 0.913 1
1 1339 . 19 1 1 A 109 109 GLU N N 109 123.739 121.038 2.701 1
1 1340 . 19 1 1 A 110 110 SER H H 110 8.291 7.633 0.658 1
1 1341 . 19 1 1 A 110 110 SER HA H 110 4.446 4.545 -0.099 1
1 1344 . 19 1 1 A 110 110 SER C C 110 174.330 174.154 0.176 1
1 1345 . 19 1 1 A 110 110 SER CA C 110 58.252 57.940 0.312 1
1 1346 . 19 1 1 A 110 110 SER CB C 110 63.598 63.724 -0.126 1
1 1347 . 19 1 1 A 110 110 SER N N 110 116.242 114.789 1.453 1
1 1348 . 19 1 1 A 111 111 ARG H H 111 8.238 7.810 0.428 1
1 1349 . 19 1 1 A 111 111 ARG HA H 111 4.426 4.556 -0.130 1
1 1357 . 19 1 1 A 111 111 ARG C C 111 176.113 176.015 0.098 1
1 1358 . 19 1 1 A 111 111 ARG CA C 111 55.848 55.854 -0.006 1
1 1359 . 19 1 1 A 111 111 ARG CB C 111 30.755 31.227 -0.472 1
1 1362 . 19 1 1 A 111 111 ARG N N 111 122.827 121.205 1.622 1
1 1364 . 19 1 1 A 112 112 THR H H 112 8.229 9.029 -0.800 1
1 1365 . 19 1 1 A 112 112 THR HA H 112 4.573 4.968 -0.395 1
1 1370 . 19 1 1 A 112 112 THR C C 112 172.790 174.615 -1.825 1
1 1371 . 19 1 1 A 112 112 THR CA C 112 59.716 59.125 0.591 1
1 1372 . 19 1 1 A 112 112 THR CB C 112 69.503 69.766 -0.263 1
1 1374 . 19 1 1 A 112 112 THR N N 112 117.863 114.807 3.056 1
1 1375 . 19 1 1 A 113 113 PRO HA H 113 4.388 4.321 0.067 1
1 1382 . 19 1 1 A 113 113 PRO C C 113 176.605 177.467 -0.862 1
1 1383 . 19 1 1 A 113 113 PRO CA C 113 63.131 66.284 -3.153 1
1 1384 . 19 1 1 A 113 113 PRO CB C 113 31.931 31.493 0.438 1
1 1387 . 19 1 1 A 114 114 ALA H H 114 8.422 8.117 0.305 1
1 1388 . 19 1 1 A 114 114 ALA HA H 114 4.284 3.945 0.339 1
1 1392 . 19 1 1 A 114 114 ALA C C 114 178.251 177.015 1.236 1
1 1393 . 19 1 1 A 114 114 ALA CA C 114 52.518 53.668 -1.150 1
1 1394 . 19 1 1 A 114 114 ALA CB C 114 19.131 18.225 0.906 1
1 1395 . 19 1 1 A 114 114 ALA N N 114 124.466 120.509 3.957 1
1 1396 . 19 1 1 A 115 115 GLY H H 115 8.380 8.725 -0.345 1
1 1397 . 19 1 1 A 115 115 GLY HA2 H 115 3.956 4.152 -0.196 1
1 1398 . 19 1 1 A 115 115 GLY HA3 H 115 3.934 4.152 -0.218 1
1 1399 . 19 1 1 A 115 115 GLY C C 115 174.020 172.820 1.200 1
1 1400 . 19 1 1 A 115 115 GLY CA C 115 45.095 44.785 0.310 1
1 1401 . 19 1 1 A 115 115 GLY N N 115 108.587 107.253 1.334 1
1 1402 . 19 1 1 A 116 116 ALA H H 116 8.127 8.504 -0.377 1
1 1403 . 19 1 1 A 116 116 ALA HA H 116 4.292 5.057 -0.765 1
1 1407 . 19 1 1 A 116 116 ALA C C 116 177.565 175.130 2.435 1
1 1408 . 19 1 1 A 116 116 ALA CA C 116 52.504 51.337 1.167 1
1 1409 . 19 1 1 A 116 116 ALA CB C 116 19.187 22.838 -3.651 1
1 1410 . 19 1 1 A 116 116 ALA N N 116 123.523 126.412 -2.889 1
1 1411 . 19 1 1 A 117 117 ASP H H 117 8.316 8.820 -0.504 1
1 1412 . 19 1 1 A 117 117 ASP HA H 117 4.555 5.246 -0.691 1
1 1415 . 19 1 1 A 117 117 ASP C C 117 175.899 174.152 1.747 1
1 1416 . 19 1 1 A 117 117 ASP CA C 117 54.254 54.050 0.204 1
1 1417 . 19 1 1 A 117 117 ASP CB C 117 40.962 43.679 -2.717 1
1 1418 . 19 1 1 A 117 117 ASP N N 117 118.783 121.153 -2.370 1
1 1419 . 19 1 1 A 118 118 ASP H H 118 8.083 8.956 -0.873 1
1 1420 . 19 1 1 A 118 118 ASP HA H 118 4.529 5.551 -1.022 1
1 1423 . 19 1 1 A 118 118 ASP C C 118 176.278 173.901 2.377 1
1 1424 . 19 1 1 A 118 118 ASP CA C 118 54.202 52.457 1.745 1
1 1425 . 19 1 1 A 118 118 ASP CB C 118 40.933 45.593 -4.660 1
1 1426 . 19 1 1 A 118 118 ASP N N 118 119.935 123.797 -3.862 1
1 1427 . 19 1 1 A 119 119 TYR H H 119 8.107 8.858 -0.751 1
1 1428 . 19 1 1 A 119 119 TYR HA H 119 4.450 5.031 -0.581 1
1 1435 . 19 1 1 A 119 119 TYR C C 119 175.825 174.195 1.630 1
1 1436 . 19 1 1 A 119 119 TYR CA C 119 58.350 57.852 0.498 1
1 1437 . 19 1 1 A 119 119 TYR CB C 119 38.260 42.147 -3.887 1
1 1442 . 19 1 1 A 119 119 TYR N N 119 120.415 121.116 -0.701 1
1 1443 . 19 1 1 A 120 120 ASN H H 120 8.276 8.256 0.020 1
1 1444 . 19 1 1 A 120 120 ASN HA H 120 4.615 4.600 0.015 1
1 1449 . 19 1 1 A 120 120 ASN C C 120 175.102 176.090 -0.988 1
1 1450 . 19 1 1 A 120 120 ASN CA C 120 53.396 52.241 1.155 1
1 1451 . 19 1 1 A 120 120 ASN CB C 120 38.712 36.190 2.522 1
1 1452 . 19 1 1 A 120 120 ASN N N 120 119.834 123.664 -3.830 1
1 1454 . 19 1 1 A 121 121 VAL H H 121 7.897 7.822 0.075 1
1 1455 . 19 1 1 A 121 121 VAL HA H 121 4.009 4.040 -0.031 1
1 1463 . 19 1 1 A 121 121 VAL C C 121 176.484 176.316 0.168 1
1 1464 . 19 1 1 A 121 121 VAL CA C 121 62.950 64.634 -1.684 1
1 1465 . 19 1 1 A 121 121 VAL CB C 121 32.326 31.457 0.869 1
1 1468 . 19 1 1 A 121 121 VAL N N 121 120.109 120.790 -0.681 1
1 1469 . 19 1 1 A 122 122 VAL H H 122 8.091 7.505 0.586 1
1 1470 . 19 1 1 A 122 122 VAL HA H 122 4.014 4.166 -0.152 1
1 1478 . 19 1 1 A 122 122 VAL C C 122 176.568 174.850 1.718 1
1 1479 . 19 1 1 A 122 122 VAL CA C 122 62.924 62.839 0.085 1
1 1480 . 19 1 1 A 122 122 VAL CB C 122 32.279 30.977 1.302 1
1 1483 . 19 1 1 A 122 122 VAL N N 122 122.407 125.115 -2.708 1
1 1484 . 19 1 1 A 123 123 SER H H 123 8.228 8.870 -0.642 1
1 1485 . 19 1 1 A 123 123 SER HA H 123 4.385 5.036 -0.651 1
1 1488 . 19 1 1 A 123 123 SER C C 123 174.863 172.779 2.084 1
1 1489 . 19 1 1 A 123 123 SER CA C 123 58.525 56.718 1.807 1
1 1490 . 19 1 1 A 123 123 SER CB C 123 63.450 64.567 -1.117 1
1 1491 . 19 1 1 A 123 123 SER N N 123 118.095 123.038 -4.943 1
1 1492 . 19 1 1 A 124 124 ARG H H 124 8.208 8.730 -0.522 1
1 1493 . 19 1 1 A 124 124 ARG HA H 124 4.297 4.899 -0.602 1
1 1500 . 19 1 1 A 124 124 ARG C C 124 176.328 174.030 2.298 1
1 1501 . 19 1 1 A 124 124 ARG CA C 124 56.408 55.427 0.981 1
1 1502 . 19 1 1 A 124 124 ARG CB C 124 30.480 33.788 -3.308 1
1 1505 . 19 1 1 A 124 124 ARG N N 124 122.632 127.892 -5.260 1
1 1506 . 19 1 1 A 125 125 LEU H H 125 8.081 8.654 -0.573 1
1 1507 . 19 1 1 A 125 125 LEU HA H 125 4.262 4.963 -0.701 1
1 1517 . 19 1 1 A 125 125 LEU C C 125 177.375 174.720 2.655 1
1 1518 . 19 1 1 A 125 125 LEU CA C 125 55.282 54.453 0.829 1
1 1519 . 19 1 1 A 125 125 LEU CB C 125 42.042 45.995 -3.953 1
1 1523 . 19 1 1 A 125 125 LEU N N 125 121.964 126.731 -4.767 1
1 1524 . 19 1 1 A 126 126 GLU H H 126 8.232 8.742 -0.510 1
1 1525 . 19 1 1 A 126 126 GLU HA H 126 4.179 4.680 -0.501 1
1 1530 . 19 1 1 A 126 126 GLU C C 126 176.238 174.541 1.697 1
1 1531 . 19 1 1 A 126 126 GLU CA C 126 56.451 55.561 0.890 1
1 1532 . 19 1 1 A 126 126 GLU CB C 126 30.131 33.748 -3.617 1
1 14 . 20 1 1 A 2 2 GLU H H 2 8.824 8.609 0.215 1
1 15 . 20 1 1 A 2 2 GLU HA H 2 4.687 4.370 0.317 1
1 20 . 20 1 1 A 2 2 GLU C C 2 175.506 176.588 -1.082 1
1 21 . 20 1 1 A 2 2 GLU CA C 2 54.603 54.850 -0.247 1
1 22 . 20 1 1 A 2 2 GLU CB C 2 29.310 28.986 0.324 1
1 24 . 20 1 1 A 2 2 GLU N N 2 125.698 125.655 0.043 1
1 25 . 20 1 1 A 3 3 PRO HA H 3 4.398 4.461 -0.063 1
1 32 . 20 1 1 A 3 3 PRO C C 3 176.267 176.602 -0.335 1
1 33 . 20 1 1 A 3 3 PRO CA C 3 64.781 64.184 0.597 1
1 34 . 20 1 1 A 3 3 PRO CB C 3 31.918 31.972 -0.054 1
1 37 . 20 1 1 A 4 4 GLN H H 4 7.738 7.989 -0.251 1
1 38 . 20 1 1 A 4 4 GLN HA H 4 4.908 5.132 -0.224 1
1 45 . 20 1 1 A 4 4 GLN C C 4 175.006 174.492 0.514 1
1 46 . 20 1 1 A 4 4 GLN CA C 4 54.697 54.445 0.252 1
1 47 . 20 1 1 A 4 4 GLN CB C 4 31.196 31.250 -0.054 1
1 49 . 20 1 1 A 4 4 GLN N N 4 114.971 119.144 -4.173 1
1 51 . 20 1 1 A 5 5 SER H H 5 9.180 9.275 -0.095 1
1 52 . 20 1 1 A 5 5 SER HA H 5 4.825 5.393 -0.568 1
1 55 . 20 1 1 A 5 5 SER C C 5 172.669 172.963 -0.294 1
1 56 . 20 1 1 A 5 5 SER CA C 5 58.100 56.382 1.718 1
1 57 . 20 1 1 A 5 5 SER CB C 5 65.536 65.061 0.475 1
1 58 . 20 1 1 A 5 5 SER N N 5 117.801 118.540 -0.739 1
1 59 . 20 1 1 A 6 6 ASP H H 6 8.386 8.617 -0.231 1
1 60 . 20 1 1 A 6 6 ASP HA H 6 4.841 4.463 0.378 1
1 63 . 20 1 1 A 6 6 ASP C C 6 177.071 177.523 -0.452 1
1 64 . 20 1 1 A 6 6 ASP CA C 6 53.810 54.637 -0.827 1
1 65 . 20 1 1 A 6 6 ASP CB C 6 42.427 42.257 0.170 1
1 66 . 20 1 1 A 6 6 ASP N N 6 123.042 126.286 -3.244 1
1 67 . 20 1 1 A 7 7 ALA H H 7 9.312 9.090 0.222 1
1 68 . 20 1 1 A 7 7 ALA HA H 7 4.036 4.063 -0.027 1
1 72 . 20 1 1 A 7 7 ALA C C 7 178.859 179.696 -0.837 1
1 73 . 20 1 1 A 7 7 ALA CA C 7 55.703 55.490 0.213 1
1 74 . 20 1 1 A 7 7 ALA CB C 7 17.952 18.220 -0.268 1
1 75 . 20 1 1 A 7 7 ALA N N 7 123.976 128.776 -4.800 1
1 76 . 20 1 1 A 8 8 HIS H H 8 8.537 8.000 0.537 1
1 77 . 20 1 1 A 8 8 HIS HA H 8 3.950 4.181 -0.231 1
1 82 . 20 1 1 A 8 8 HIS C C 8 178.023 177.294 0.729 1
1 83 . 20 1 1 A 8 8 HIS CA C 8 59.778 60.109 -0.331 1
1 84 . 20 1 1 A 8 8 HIS CB C 8 29.039 30.002 -0.963 1
1 87 . 20 1 1 A 8 8 HIS N N 8 114.303 118.130 -3.827 1
1 90 . 20 1 1 A 9 9 VAL H H 9 7.567 8.181 -0.614 1
1 91 . 20 1 1 A 9 9 VAL HA H 9 3.709 3.356 0.353 1
1 99 . 20 1 1 A 9 9 VAL C C 9 178.518 177.610 0.908 1
1 100 . 20 1 1 A 9 9 VAL CA C 9 65.508 66.711 -1.203 1
1 101 . 20 1 1 A 9 9 VAL CB C 9 31.604 31.047 0.557 1
1 104 . 20 1 1 A 9 9 VAL N N 9 121.235 119.063 2.172 1
1 105 . 20 1 1 A 10 10 LEU H H 10 7.219 8.093 -0.874 1
1 106 . 20 1 1 A 10 10 LEU HA H 10 3.716 3.609 0.107 1
1 116 . 20 1 1 A 10 10 LEU C C 10 177.133 178.398 -1.265 1
1 117 . 20 1 1 A 10 10 LEU CA C 10 57.133 58.495 -1.362 1
1 118 . 20 1 1 A 10 10 LEU CB C 10 40.756 41.401 -0.645 1
1 122 . 20 1 1 A 10 10 LEU N N 10 120.890 120.071 0.819 1
1 123 . 20 1 1 A 11 11 LYS H H 11 8.568 8.288 0.280 1
1 124 . 20 1 1 A 11 11 LYS HA H 11 3.943 3.969 -0.026 1
1 133 . 20 1 1 A 11 11 LYS C C 11 178.143 179.133 -0.990 1
1 134 . 20 1 1 A 11 11 LYS CA C 11 60.388 59.617 0.771 1
1 135 . 20 1 1 A 11 11 LYS CB C 11 32.354 32.045 0.309 1
1 139 . 20 1 1 A 11 11 LYS N N 11 120.361 119.538 0.823 1
1 140 . 20 1 1 A 12 12 SER H H 12 7.865 7.943 -0.078 1
1 141 . 20 1 1 A 12 12 SER HA H 12 4.225 4.379 -0.154 1
1 144 . 20 1 1 A 12 12 SER C C 12 175.839 176.747 -0.908 1
1 145 . 20 1 1 A 12 12 SER CA C 12 61.626 61.947 -0.321 1
1 146 . 20 1 1 A 12 12 SER CB C 12 62.749 62.709 0.040 1
1 147 . 20 1 1 A 12 12 SER N N 12 113.173 117.039 -3.866 1
1 148 . 20 1 1 A 13 13 ARG H H 13 7.701 7.234 0.467 1
1 149 . 20 1 1 A 13 13 ARG HA H 13 3.827 4.245 -0.418 1
1 157 . 20 1 1 A 13 13 ARG C C 13 178.606 179.025 -0.419 1
1 158 . 20 1 1 A 13 13 ARG CA C 13 58.926 58.470 0.456 1
1 159 . 20 1 1 A 13 13 ARG CB C 13 29.616 29.387 0.229 1
1 162 . 20 1 1 A 13 13 ARG N N 13 122.104 121.829 0.275 1
1 164 . 20 1 1 A 14 14 LEU H H 14 8.308 8.200 0.108 1
1 165 . 20 1 1 A 14 14 LEU HA H 14 4.219 4.500 -0.281 1
1 175 . 20 1 1 A 14 14 LEU C C 14 178.590 178.835 -0.245 1
1 176 . 20 1 1 A 14 14 LEU CA C 14 57.904 58.041 -0.137 1
1 177 . 20 1 1 A 14 14 LEU CB C 14 42.627 41.839 0.788 1
1 181 . 20 1 1 A 14 14 LEU N N 14 119.549 122.292 -2.743 1
1 182 . 20 1 1 A 15 15 GLU H H 15 7.824 8.216 -0.392 1
1 183 . 20 1 1 A 15 15 GLU HA H 15 3.998 4.143 -0.145 1
1 188 . 20 1 1 A 15 15 GLU C C 15 177.805 178.269 -0.464 1
1 189 . 20 1 1 A 15 15 GLU CA C 15 58.219 58.785 -0.566 1
1 190 . 20 1 1 A 15 15 GLU CB C 15 29.865 30.522 -0.657 1
1 192 . 20 1 1 A 15 15 GLU N N 15 116.921 118.740 -1.819 1
1 193 . 20 1 1 A 16 16 TRP H H 16 7.905 8.493 -0.588 1
1 194 . 20 1 1 A 16 16 TRP HA H 16 4.895 4.683 0.212 1
1 203 . 20 1 1 A 16 16 TRP C C 16 176.778 176.674 0.104 1
1 204 . 20 1 1 A 16 16 TRP CA C 16 57.033 58.953 -1.920 1
1 205 . 20 1 1 A 16 16 TRP CB C 16 30.513 30.915 -0.402 1
1 211 . 20 1 1 A 16 16 TRP N N 16 116.589 117.253 -0.664 1
1 213 . 20 1 1 A 17 17 GLY H H 17 8.007 7.795 0.212 1
1 214 . 20 1 1 A 17 17 GLY HA2 H 17 3.979 4.195 -0.216 1
1 215 . 20 1 1 A 17 17 GLY HA3 H 17 4.200 4.221 -0.021 1
1 216 . 20 1 1 A 17 17 GLY C C 17 173.650 173.331 0.319 1
1 217 . 20 1 1 A 17 17 GLY CA C 17 44.786 44.545 0.241 1
1 218 . 20 1 1 A 17 17 GLY N N 17 108.398 107.806 0.592 1
1 219 . 20 1 1 A 18 18 GLU H H 18 8.483 8.608 -0.125 1
1 220 . 20 1 1 A 18 18 GLU HA H 18 4.534 4.784 -0.250 1
1 225 . 20 1 1 A 18 18 GLU C C 18 176.535 175.770 0.765 1
1 226 . 20 1 1 A 18 18 GLU CA C 18 54.615 53.683 0.932 1
1 227 . 20 1 1 A 18 18 GLU CB C 18 29.654 29.954 -0.300 1
1 229 . 20 1 1 A 18 18 GLU N N 18 121.984 119.732 2.252 1
1 230 . 20 1 1 A 19 19 PRO HA H 19 4.549 4.235 0.314 1
1 237 . 20 1 1 A 19 19 PRO C C 19 176.737 175.767 0.970 1
1 238 . 20 1 1 A 19 19 PRO CA C 19 63.685 62.496 1.189 1
1 239 . 20 1 1 A 19 19 PRO CB C 19 30.940 29.101 1.839 1
1 242 . 20 1 1 A 20 20 ALA H H 20 8.386 8.318 0.068 1
1 243 . 20 1 1 A 20 20 ALA HA H 20 4.536 4.382 0.154 1
1 247 . 20 1 1 A 20 20 ALA C C 20 174.844 177.313 -2.469 1
1 248 . 20 1 1 A 20 20 ALA CA C 20 51.312 52.766 -1.454 1
1 249 . 20 1 1 A 20 20 ALA CB C 20 17.883 19.977 -2.094 1
1 250 . 20 1 1 A 20 20 ALA N N 20 126.537 124.609 1.928 1
1 251 . 20 1 1 A 21 21 PHE H H 21 7.244 7.439 -0.195 1
1 252 . 20 1 1 A 21 21 PHE HA H 21 5.485 5.106 0.379 1
1 260 . 20 1 1 A 21 21 PHE C C 21 173.639 174.309 -0.670 1
1 261 . 20 1 1 A 21 21 PHE CA C 21 55.312 55.358 -0.046 1
1 262 . 20 1 1 A 21 21 PHE CB C 21 41.581 41.929 -0.348 1
1 268 . 20 1 1 A 21 21 PHE N N 21 115.447 115.805 -0.358 1
1 269 . 20 1 1 A 22 22 THR H H 22 9.203 8.422 0.781 1
1 270 . 20 1 1 A 22 22 THR HA H 22 4.583 5.033 -0.450 1
1 275 . 20 1 1 A 22 22 THR C C 22 171.987 172.999 -1.012 1
1 276 . 20 1 1 A 22 22 THR CA C 22 62.368 61.647 0.721 1
1 277 . 20 1 1 A 22 22 THR CB C 22 72.961 71.789 1.172 1
1 279 . 20 1 1 A 22 22 THR N N 22 119.035 113.872 5.163 1
1 280 . 20 1 1 A 23 23 ILE H H 23 9.318 9.130 0.188 1
1 281 . 20 1 1 A 23 23 ILE HA H 23 5.172 5.354 -0.182 1
1 291 . 20 1 1 A 23 23 ILE C C 23 173.969 175.458 -1.489 1
1 292 . 20 1 1 A 23 23 ILE CA C 23 59.958 60.366 -0.408 1
1 293 . 20 1 1 A 23 23 ILE CB C 23 40.273 40.037 0.236 1
1 297 . 20 1 1 A 23 23 ILE N N 23 127.452 128.482 -1.030 1
1 298 . 20 1 1 A 24 24 LEU H H 24 9.522 9.513 0.009 1
1 299 . 20 1 1 A 24 24 LEU HA H 24 4.871 5.039 -0.168 1
1 309 . 20 1 1 A 24 24 LEU C C 24 172.823 175.210 -2.387 1
1 310 . 20 1 1 A 24 24 LEU CA C 24 53.100 53.164 -0.064 1
1 311 . 20 1 1 A 24 24 LEU CB C 24 44.522 44.160 0.362 1
1 315 . 20 1 1 A 24 24 LEU N N 24 127.148 127.171 -0.023 1
1 316 . 20 1 1 A 25 25 ASP H H 25 8.325 8.711 -0.386 1
1 317 . 20 1 1 A 25 25 ASP HA H 25 4.112 4.189 -0.077 1
1 320 . 20 1 1 A 25 25 ASP C C 25 177.457 176.751 0.706 1
1 321 . 20 1 1 A 25 25 ASP CA C 25 51.097 52.516 -1.419 1
1 322 . 20 1 1 A 25 25 ASP CB C 25 43.056 40.331 2.725 1
1 323 . 20 1 1 A 25 25 ASP N N 25 122.856 124.154 -1.298 1
1 324 . 20 1 1 A 26 26 VAL H H 26 7.924 7.879 0.045 1
1 325 . 20 1 1 A 26 26 VAL HA H 26 4.964 4.604 0.360 1
1 333 . 20 1 1 A 26 26 VAL C C 26 176.585 176.865 -0.280 1
1 334 . 20 1 1 A 26 26 VAL CA C 26 59.554 61.811 -2.257 1
1 335 . 20 1 1 A 26 26 VAL CB C 26 30.002 31.809 -1.807 1
1 338 . 20 1 1 A 26 26 VAL N N 26 117.391 120.217 -2.826 1
1 339 . 20 1 1 A 27 27 ARG H H 27 7.773 7.337 0.436 1
1 340 . 20 1 1 A 27 27 ARG HA H 27 4.418 4.130 0.288 1
1 352 . 20 1 1 A 27 27 ARG C C 27 173.931 175.889 -1.958 1
1 353 . 20 1 1 A 27 27 ARG CA C 27 55.487 58.152 -2.665 1
1 354 . 20 1 1 A 27 27 ARG CB C 27 30.337 30.826 -0.489 1
1 357 . 20 1 1 A 27 27 ARG N N 27 121.126 120.552 0.574 1
1 361 . 20 1 1 A 28 28 ASP H H 28 7.792 7.657 0.135 1
1 362 . 20 1 1 A 28 28 ASP HA H 28 4.431 4.794 -0.363 1
1 365 . 20 1 1 A 28 28 ASP C C 28 176.402 175.857 0.545 1
1 366 . 20 1 1 A 28 28 ASP CA C 28 54.427 53.670 0.757 1
1 367 . 20 1 1 A 28 28 ASP CB C 28 41.498 43.669 -2.171 1
1 368 . 20 1 1 A 28 28 ASP N N 28 115.368 114.750 0.618 1
1 369 . 20 1 1 A 29 29 ARG H H 29 8.781 8.711 0.070 1
1 370 . 20 1 1 A 29 29 ARG HA H 29 3.853 3.959 -0.106 1
1 378 . 20 1 1 A 29 29 ARG C C 29 177.811 177.281 0.530 1
1 379 . 20 1 1 A 29 29 ARG CA C 29 58.920 59.662 -0.742 1
1 380 . 20 1 1 A 29 29 ARG CB C 29 29.762 30.046 -0.284 1
1 383 . 20 1 1 A 29 29 ARG N N 29 121.538 125.564 -4.026 1
1 385 . 20 1 1 A 30 30 SER H H 30 8.478 7.840 0.638 1
1 386 . 20 1 1 A 30 30 SER HA H 30 4.190 4.282 -0.092 1
1 389 . 20 1 1 A 30 30 SER C C 30 176.814 177.230 -0.416 1
1 390 . 20 1 1 A 30 30 SER CA C 30 61.929 60.883 1.046 1
1 391 . 20 1 1 A 30 30 SER CB C 30 62.051 62.868 -0.817 1
1 392 . 20 1 1 A 30 30 SER N N 30 113.937 114.375 -0.438 1
1 393 . 20 1 1 A 31 31 THR H H 31 7.724 7.900 -0.176 1
1 394 . 20 1 1 A 31 31 THR HA H 31 4.096 4.707 -0.611 1
1 399 . 20 1 1 A 31 31 THR C C 31 176.940 175.795 1.145 1
1 400 . 20 1 1 A 31 31 THR CA C 31 66.078 66.308 -0.230 1
1 401 . 20 1 1 A 31 31 THR CB C 31 67.583 68.543 -0.960 1
1 403 . 20 1 1 A 31 31 THR N N 31 120.025 117.194 2.831 1
1 404 . 20 1 1 A 32 32 TYR H H 32 8.186 8.533 -0.347 1
1 405 . 20 1 1 A 32 32 TYR HA H 32 4.009 4.367 -0.358 1
1 410 . 20 1 1 A 32 32 TYR C C 32 180.166 177.985 2.181 1
1 411 . 20 1 1 A 32 32 TYR CA C 32 61.797 61.992 -0.195 1
1 412 . 20 1 1 A 32 32 TYR CB C 32 37.300 38.769 -1.469 1
1 415 . 20 1 1 A 32 32 TYR N N 32 123.636 122.965 0.671 1
1 416 . 20 1 1 A 33 33 ASN H H 33 8.838 7.965 0.873 1
1 417 . 20 1 1 A 33 33 ASN HA H 33 4.435 4.183 0.252 1
1 422 . 20 1 1 A 33 33 ASN C C 33 176.730 177.319 -0.589 1
1 423 . 20 1 1 A 33 33 ASN CA C 33 55.167 56.175 -1.008 1
1 424 . 20 1 1 A 33 33 ASN CB C 33 37.308 38.539 -1.231 1
1 425 . 20 1 1 A 33 33 ASN N N 33 122.000 118.390 3.610 1
1 427 . 20 1 1 A 34 34 ASP H H 34 7.510 8.702 -1.192 1
1 428 . 20 1 1 A 34 34 ASP HA H 34 4.587 4.393 0.194 1
1 431 . 20 1 1 A 34 34 ASP C C 34 177.045 176.831 0.214 1
1 432 . 20 1 1 A 34 34 ASP CA C 34 56.487 56.229 0.258 1
1 433 . 20 1 1 A 34 34 ASP CB C 34 40.822 40.783 0.039 1
1 434 . 20 1 1 A 34 34 ASP N N 34 119.832 116.612 3.220 1
1 435 . 20 1 1 A 35 35 GLY H H 35 7.412 7.319 0.093 1
1 436 . 20 1 1 A 35 35 GLY HA2 H 35 3.997 4.192 -0.195 1
1 437 . 20 1 1 A 35 35 GLY HA3 H 35 3.997 4.232 -0.235 1
1 438 . 20 1 1 A 35 35 GLY C C 35 171.246 172.107 -0.861 1
1 439 . 20 1 1 A 35 35 GLY CA C 35 46.441 45.115 1.326 1
1 440 . 20 1 1 A 35 35 GLY N N 35 106.611 105.677 0.934 1
1 441 . 20 1 1 A 36 36 HIS H H 36 8.441 8.963 -0.522 1
1 442 . 20 1 1 A 36 36 HIS HA H 36 4.782 5.684 -0.902 1
1 447 . 20 1 1 A 36 36 HIS C C 36 172.800 174.058 -1.258 1
1 448 . 20 1 1 A 36 36 HIS CA C 36 53.425 53.039 0.386 1
1 449 . 20 1 1 A 36 36 HIS CB C 36 31.978 32.731 -0.753 1
1 452 . 20 1 1 A 36 36 HIS N N 36 117.929 120.621 -2.692 1
1 455 . 20 1 1 A 37 37 ILE H H 37 8.087 8.735 -0.648 1
1 456 . 20 1 1 A 37 37 ILE HA H 37 3.223 3.684 -0.461 1
1 466 . 20 1 1 A 37 37 ILE C C 37 175.423 176.242 -0.819 1
1 467 . 20 1 1 A 37 37 ILE CA C 37 64.607 61.951 2.656 1
1 468 . 20 1 1 A 37 37 ILE CB C 37 37.269 37.654 -0.385 1
1 472 . 20 1 1 A 37 37 ILE N N 37 120.831 121.103 -0.272 1
1 473 . 20 1 1 A 38 38 MET H H 38 7.625 8.346 -0.721 1
1 474 . 20 1 1 A 38 38 MET HA H 38 3.953 4.149 -0.196 1
1 482 . 20 1 1 A 38 38 MET C C 38 174.632 177.102 -2.470 1
1 483 . 20 1 1 A 38 38 MET CA C 38 57.865 57.101 0.764 1
1 484 . 20 1 1 A 38 38 MET CB C 38 32.882 32.226 0.656 1
1 487 . 20 1 1 A 38 38 MET N N 38 128.683 125.836 2.847 1
1 488 . 20 1 1 A 39 39 GLY H H 39 8.795 9.292 -0.497 1
1 489 . 20 1 1 A 39 39 GLY HA2 H 39 3.727 3.974 -0.247 1
1 490 . 20 1 1 A 39 39 GLY HA3 H 39 4.345 4.012 0.333 1
1 491 . 20 1 1 A 39 39 GLY C C 39 175.442 174.726 0.716 1
1 492 . 20 1 1 A 39 39 GLY CA C 39 44.964 45.586 -0.622 1
1 493 . 20 1 1 A 39 39 GLY N N 39 113.814 114.428 -0.614 1
1 494 . 20 1 1 A 40 40 ALA H H 40 8.566 8.252 0.314 1
1 495 . 20 1 1 A 40 40 ALA HA H 40 4.656 4.450 0.206 1
1 499 . 20 1 1 A 40 40 ALA C C 40 177.459 176.973 0.486 1
1 500 . 20 1 1 A 40 40 ALA CA C 40 52.139 52.376 -0.237 1
1 501 . 20 1 1 A 40 40 ALA CB C 40 20.657 20.337 0.320 1
1 502 . 20 1 1 A 40 40 ALA N N 40 122.444 123.755 -1.311 1
1 503 . 20 1 1 A 41 41 MET H H 41 9.268 8.941 0.327 1
1 504 . 20 1 1 A 41 41 MET HA H 41 4.478 4.746 -0.268 1
1 512 . 20 1 1 A 41 41 MET C C 41 174.328 175.347 -1.019 1
1 513 . 20 1 1 A 41 41 MET CA C 41 54.330 53.972 0.358 1
1 514 . 20 1 1 A 41 41 MET CB C 41 34.473 33.102 1.371 1
1 517 . 20 1 1 A 41 41 MET N N 41 123.908 120.374 3.534 1
1 518 . 20 1 1 A 42 42 ALA H H 42 8.162 8.356 -0.194 1
1 519 . 20 1 1 A 42 42 ALA HA H 42 3.870 3.512 0.358 1
1 523 . 20 1 1 A 42 42 ALA C C 42 177.157 176.090 1.067 1
1 524 . 20 1 1 A 42 42 ALA CA C 42 51.888 51.311 0.577 1
1 525 . 20 1 1 A 42 42 ALA CB C 42 16.282 16.844 -0.562 1
1 526 . 20 1 1 A 42 42 ALA N N 42 126.936 125.590 1.346 1
1 527 . 20 1 1 A 43 43 MET H H 43 8.109 7.946 0.163 1
1 528 . 20 1 1 A 43 43 MET HA H 43 4.386 4.929 -0.543 1
1 536 . 20 1 1 A 43 43 MET C C 43 168.952 173.647 -4.695 1
1 537 . 20 1 1 A 43 43 MET CA C 43 53.535 52.486 1.049 1
1 538 . 20 1 1 A 43 43 MET CB C 43 34.346 33.291 1.055 1
1 541 . 20 1 1 A 43 43 MET N N 43 125.282 122.268 3.014 1
1 542 . 20 1 1 A 44 44 PRO HA H 44 3.949 4.604 -0.655 1
1 549 . 20 1 1 A 44 44 PRO C C 44 179.070 177.992 1.078 1
1 550 . 20 1 1 A 44 44 PRO CA C 44 62.524 62.815 -0.291 1
1 551 . 20 1 1 A 44 44 PRO CB C 44 32.611 32.399 0.212 1
1 554 . 20 1 1 A 45 45 ILE H H 45 7.764 8.577 -0.813 1
1 555 . 20 1 1 A 45 45 ILE HA H 45 3.851 3.914 -0.063 1
1 565 . 20 1 1 A 45 45 ILE C C 45 175.827 177.454 -1.627 1
1 566 . 20 1 1 A 45 45 ILE CA C 45 64.676 63.604 1.072 1
1 567 . 20 1 1 A 45 45 ILE CB C 45 38.991 37.952 1.039 1
1 571 . 20 1 1 A 45 45 ILE N N 45 121.655 125.456 -3.801 1
1 572 . 20 1 1 A 46 46 GLU H H 46 9.102 8.564 0.538 1
1 573 . 20 1 1 A 46 46 GLU HA H 46 4.056 4.126 -0.070 1
1 578 . 20 1 1 A 46 46 GLU C C 46 176.499 176.818 -0.319 1
1 579 . 20 1 1 A 46 46 GLU CA C 46 59.349 58.593 0.756 1
1 580 . 20 1 1 A 46 46 GLU CB C 46 28.456 29.482 -1.026 1
1 582 . 20 1 1 A 46 46 GLU N N 46 121.004 119.380 1.624 1
1 583 . 20 1 1 A 47 47 ASP H H 47 7.729 7.784 -0.055 1
1 584 . 20 1 1 A 47 47 ASP HA H 47 5.059 4.727 0.332 1
1 587 . 20 1 1 A 47 47 ASP C C 47 175.683 177.140 -1.457 1
1 588 . 20 1 1 A 47 47 ASP CA C 47 53.266 54.040 -0.774 1
1 589 . 20 1 1 A 47 47 ASP CB C 47 42.048 40.791 1.257 1
1 590 . 20 1 1 A 47 47 ASP N N 47 117.171 120.592 -3.421 1
1 591 . 20 1 1 A 48 48 LEU H H 48 7.193 7.619 -0.426 1
1 592 . 20 1 1 A 48 48 LEU HA H 48 3.690 3.860 -0.170 1
1 602 . 20 1 1 A 48 48 LEU C C 48 176.829 178.346 -1.517 1
1 603 . 20 1 1 A 48 48 LEU CA C 48 58.905 58.827 0.078 1
1 604 . 20 1 1 A 48 48 LEU CB C 48 43.334 41.809 1.525 1
1 608 . 20 1 1 A 48 48 LEU N N 48 121.314 120.871 0.443 1
1 609 . 20 1 1 A 49 49 VAL H H 49 8.507 8.056 0.451 1
1 610 . 20 1 1 A 49 49 VAL HA H 49 3.290 3.480 -0.190 1
1 618 . 20 1 1 A 49 49 VAL C C 49 178.915 177.468 1.447 1
1 619 . 20 1 1 A 49 49 VAL CA C 49 67.886 66.957 0.929 1
1 620 . 20 1 1 A 49 49 VAL CB C 49 30.881 31.688 -0.807 1
1 623 . 20 1 1 A 49 49 VAL N N 49 116.698 119.267 -2.569 1
1 624 . 20 1 1 A 50 50 ASP H H 50 8.474 8.301 0.173 1
1 625 . 20 1 1 A 50 50 ASP HA H 50 4.396 4.369 0.027 1
1 628 . 20 1 1 A 50 50 ASP C C 50 178.890 179.158 -0.268 1
1 629 . 20 1 1 A 50 50 ASP CA C 50 57.477 57.483 -0.006 1
1 630 . 20 1 1 A 50 50 ASP CB C 50 40.945 39.970 0.975 1
1 631 . 20 1 1 A 50 50 ASP N N 50 121.526 119.619 1.907 1
1 632 . 20 1 1 A 51 51 ARG H H 51 8.334 8.090 0.244 1
1 633 . 20 1 1 A 51 51 ARG HA H 51 4.079 3.962 0.117 1
1 641 . 20 1 1 A 51 51 ARG C C 51 179.634 178.785 0.849 1
1 642 . 20 1 1 A 51 51 ARG CA C 51 58.378 59.392 -1.014 1
1 643 . 20 1 1 A 51 51 ARG CB C 51 29.692 30.206 -0.514 1
1 646 . 20 1 1 A 51 51 ARG N N 51 118.666 119.450 -0.784 1
1 648 . 20 1 1 A 52 52 ALA H H 52 9.250 8.168 1.082 1
1 649 . 20 1 1 A 52 52 ALA HA H 52 3.752 4.123 -0.371 1
1 653 . 20 1 1 A 52 52 ALA C C 52 179.710 179.506 0.204 1
1 654 . 20 1 1 A 52 52 ALA CA C 52 55.830 55.121 0.709 1
1 655 . 20 1 1 A 52 52 ALA CB C 52 18.164 18.270 -0.106 1
1 656 . 20 1 1 A 52 52 ALA N N 52 124.004 121.788 2.216 1
1 657 . 20 1 1 A 53 53 SER H H 53 8.392 8.431 -0.039 1
1 658 . 20 1 1 A 53 53 SER HA H 53 4.457 4.265 0.192 1
1 661 . 20 1 1 A 53 53 SER C C 53 175.807 175.948 -0.141 1
1 662 . 20 1 1 A 53 53 SER CA C 53 62.214 61.373 0.841 1
1 663 . 20 1 1 A 53 53 SER CB C 53 62.805 63.264 -0.459 1
1 664 . 20 1 1 A 53 53 SER N N 53 111.154 113.390 -2.236 1
1 665 . 20 1 1 A 54 54 SER H H 54 7.570 7.769 -0.199 1
1 666 . 20 1 1 A 54 54 SER HA H 54 4.512 4.485 0.027 1
1 669 . 20 1 1 A 54 54 SER C C 54 175.210 174.809 0.401 1
1 670 . 20 1 1 A 54 54 SER CA C 54 59.567 58.758 0.809 1
1 671 . 20 1 1 A 54 54 SER CB C 54 63.902 63.815 0.087 1
1 672 . 20 1 1 A 54 54 SER N N 54 112.745 116.137 -3.392 1
1 673 . 20 1 1 A 55 55 SER H H 55 7.501 8.044 -0.543 1
1 674 . 20 1 1 A 55 55 SER HA H 55 4.744 4.603 0.141 1
1 677 . 20 1 1 A 55 55 SER C C 55 173.106 174.039 -0.933 1
1 678 . 20 1 1 A 55 55 SER CA C 55 59.905 59.614 0.291 1
1 679 . 20 1 1 A 55 55 SER CB C 55 65.881 65.702 0.179 1
1 680 . 20 1 1 A 55 55 SER N N 55 113.238 115.251 -2.013 1
1 681 . 20 1 1 A 56 56 LEU H H 56 8.320 8.350 -0.030 1
1 682 . 20 1 1 A 56 56 LEU HA H 56 4.823 4.461 0.362 1
1 692 . 20 1 1 A 56 56 LEU C C 56 175.441 176.671 -1.230 1
1 693 . 20 1 1 A 56 56 LEU CA C 56 53.476 54.329 -0.853 1
1 694 . 20 1 1 A 56 56 LEU CB C 56 44.655 42.621 2.034 1
1 698 . 20 1 1 A 56 56 LEU N N 56 122.043 119.017 3.026 1
1 699 . 20 1 1 A 57 57 GLU H H 57 8.510 8.978 -0.468 1
1 700 . 20 1 1 A 57 57 GLU HA H 57 4.334 4.588 -0.254 1
1 705 . 20 1 1 A 57 57 GLU C C 57 177.869 176.728 1.141 1
1 706 . 20 1 1 A 57 57 GLU CA C 57 55.911 54.621 1.290 1
1 707 . 20 1 1 A 57 57 GLU CB C 57 30.193 31.923 -1.730 1
1 709 . 20 1 1 A 57 57 GLU N N 57 121.479 120.975 0.504 1
1 710 . 20 1 1 A 58 58 LYS H H 58 8.513 8.745 -0.232 1
1 711 . 20 1 1 A 58 58 LYS HA H 58 3.811 4.372 -0.561 1
1 720 . 20 1 1 A 58 58 LYS C C 58 178.345 178.028 0.317 1
1 721 . 20 1 1 A 58 58 LYS CA C 58 58.526 57.281 1.245 1
1 722 . 20 1 1 A 58 58 LYS CB C 58 31.265 32.864 -1.599 1
1 726 . 20 1 1 A 58 58 LYS N N 58 120.689 123.563 -2.874 1
1 727 . 20 1 1 A 59 59 SER H H 59 7.912 7.582 0.330 1
1 728 . 20 1 1 A 59 59 SER HA H 59 4.437 4.540 -0.103 1
1 731 . 20 1 1 A 59 59 SER C C 59 174.216 174.555 -0.339 1
1 732 . 20 1 1 A 59 59 SER CA C 59 57.862 60.088 -2.226 1
1 733 . 20 1 1 A 59 59 SER CB C 59 63.682 63.926 -0.244 1
1 734 . 20 1 1 A 59 59 SER N N 59 111.530 113.731 -2.201 1
1 735 . 20 1 1 A 60 60 ARG H H 60 7.477 7.813 -0.336 1
1 736 . 20 1 1 A 60 60 ARG HA H 60 4.199 4.215 -0.016 1
1 744 . 20 1 1 A 60 60 ARG C C 60 174.880 175.807 -0.927 1
1 745 . 20 1 1 A 60 60 ARG CA C 60 55.828 55.858 -0.030 1
1 746 . 20 1 1 A 60 60 ARG CB C 60 31.971 30.872 1.099 1
1 749 . 20 1 1 A 60 60 ARG N N 60 125.535 121.605 3.930 1
1 751 . 20 1 1 A 61 61 ASP H H 61 8.540 8.462 0.078 1
1 752 . 20 1 1 A 61 61 ASP HA H 61 4.903 4.707 0.196 1
1 755 . 20 1 1 A 61 61 ASP C C 61 175.569 175.861 -0.292 1
1 756 . 20 1 1 A 61 61 ASP CA C 61 55.438 54.372 1.066 1
1 757 . 20 1 1 A 61 61 ASP CB C 61 40.847 40.815 0.032 1
1 758 . 20 1 1 A 61 61 ASP N N 61 126.761 124.497 2.264 1
1 759 . 20 1 1 A 62 62 ILE H H 62 8.630 8.796 -0.166 1
1 760 . 20 1 1 A 62 62 ILE HA H 62 5.038 4.766 0.272 1
1 770 . 20 1 1 A 62 62 ILE C C 62 174.444 174.104 0.340 1
1 771 . 20 1 1 A 62 62 ILE CA C 62 59.799 60.092 -0.293 1
1 772 . 20 1 1 A 62 62 ILE CB C 62 42.130 40.439 1.691 1
1 776 . 20 1 1 A 62 62 ILE N N 62 125.212 125.207 0.005 1
1 777 . 20 1 1 A 63 63 TYR H H 63 9.026 9.185 -0.159 1
1 778 . 20 1 1 A 63 63 TYR HA H 63 5.230 5.501 -0.271 1
1 785 . 20 1 1 A 63 63 TYR C C 63 175.088 174.498 0.590 1
1 786 . 20 1 1 A 63 63 TYR CA C 63 56.143 56.915 -0.772 1
1 787 . 20 1 1 A 63 63 TYR CB C 63 41.302 40.021 1.281 1
1 792 . 20 1 1 A 63 63 TYR N N 63 125.467 127.055 -1.588 1
1 793 . 20 1 1 A 64 64 VAL H H 64 8.523 9.337 -0.814 1
1 794 . 20 1 1 A 64 64 VAL HA H 64 5.106 4.751 0.355 1
1 802 . 20 1 1 A 64 64 VAL C C 64 174.072 175.164 -1.092 1
1 803 . 20 1 1 A 64 64 VAL CA C 64 60.302 61.491 -1.189 1
1 804 . 20 1 1 A 64 64 VAL CB C 64 35.121 32.893 2.228 1
1 807 . 20 1 1 A 64 64 VAL N N 64 121.014 123.844 -2.830 1
1 808 . 20 1 1 A 65 65 TYR H H 65 8.832 8.967 -0.135 1
1 809 . 20 1 1 A 65 65 TYR HA H 65 5.289 5.857 -0.568 1
1 816 . 20 1 1 A 65 65 TYR C C 65 172.116 173.627 -1.511 1
1 817 . 20 1 1 A 65 65 TYR CA C 65 56.777 55.020 1.757 1
1 818 . 20 1 1 A 65 65 TYR CB C 65 42.528 41.786 0.742 1
1 819 . 20 1 1 A 65 65 TYR N N 65 120.331 123.335 -3.004 1
1 820 . 20 1 1 A 66 66 GLY H H 66 8.278 8.942 -0.664 1
1 821 . 20 1 1 A 66 66 GLY HA2 H 66 3.449 4.244 -0.795 1
1 822 . 20 1 1 A 66 66 GLY HA3 H 66 4.408 4.344 0.064 1
1 823 . 20 1 1 A 66 66 GLY C C 66 173.636 174.657 -1.021 1
1 824 . 20 1 1 A 66 66 GLY CA C 66 43.793 43.461 0.332 1
1 825 . 20 1 1 A 66 66 GLY N N 66 108.458 109.111 -0.653 1
1 826 . 20 1 1 A 67 67 ALA H H 67 9.485 9.062 0.423 1
1 827 . 20 1 1 A 67 67 ALA HA H 67 4.331 4.189 0.142 1
1 831 . 20 1 1 A 67 67 ALA C C 67 176.363 177.315 -0.952 1
1 832 . 20 1 1 A 67 67 ALA CA C 67 52.848 54.020 -1.172 1
1 833 . 20 1 1 A 67 67 ALA CB C 67 18.178 19.354 -1.176 1
1 834 . 20 1 1 A 67 67 ALA N N 67 126.325 121.670 4.655 1
1 835 . 20 1 1 A 68 68 GLY H H 68 7.553 7.848 -0.295 1
1 836 . 20 1 1 A 68 68 GLY HA2 H 68 4.270 4.157 0.113 1
1 837 . 20 1 1 A 68 68 GLY HA3 H 68 4.209 4.166 0.043 1
1 838 . 20 1 1 A 68 68 GLY C C 68 173.695 174.844 -1.149 1
1 839 . 20 1 1 A 68 68 GLY CA C 68 44.112 44.026 0.086 1
1 840 . 20 1 1 A 68 68 GLY N N 68 106.057 105.292 0.765 1
1 841 . 20 1 1 A 69 69 ASP H H 69 8.904 8.971 -0.067 1
1 842 . 20 1 1 A 69 69 ASP HA H 69 4.408 4.408 0.000 1
1 845 . 20 1 1 A 69 69 ASP C C 69 178.531 177.788 0.743 1
1 846 . 20 1 1 A 69 69 ASP CA C 69 57.592 57.388 0.204 1
1 847 . 20 1 1 A 69 69 ASP CB C 69 40.198 40.669 -0.471 1
1 848 . 20 1 1 A 69 69 ASP N N 69 121.078 120.678 0.400 1
1 849 . 20 1 1 A 70 70 GLU H H 70 8.905 8.358 0.547 1
1 850 . 20 1 1 A 70 70 GLU HA H 70 4.110 4.031 0.079 1
1 855 . 20 1 1 A 70 70 GLU C C 70 178.745 178.708 0.037 1
1 856 . 20 1 1 A 70 70 GLU CA C 70 59.956 59.456 0.500 1
1 857 . 20 1 1 A 70 70 GLU CB C 70 28.534 29.365 -0.831 1
1 859 . 20 1 1 A 70 70 GLU N N 70 120.998 119.307 1.691 1
1 860 . 20 1 1 A 71 71 GLN H H 71 8.453 7.801 0.652 1
1 861 . 20 1 1 A 71 71 GLN HA H 71 4.106 4.092 0.014 1
1 868 . 20 1 1 A 71 71 GLN C C 71 178.164 178.170 -0.006 1
1 869 . 20 1 1 A 71 71 GLN CA C 71 59.350 58.499 0.851 1
1 870 . 20 1 1 A 71 71 GLN CB C 71 29.682 28.328 1.354 1
1 872 . 20 1 1 A 71 71 GLN N N 71 121.273 119.234 2.039 1
1 874 . 20 1 1 A 72 72 THR H H 72 8.267 8.221 0.046 1
1 875 . 20 1 1 A 72 72 THR HA H 72 3.524 3.984 -0.460 1
1 880 . 20 1 1 A 72 72 THR C C 72 175.546 176.512 -0.966 1
1 881 . 20 1 1 A 72 72 THR CA C 72 67.395 65.585 1.810 1
1 882 . 20 1 1 A 72 72 THR CB C 72 68.145 68.110 0.035 1
1 884 . 20 1 1 A 72 72 THR N N 72 115.641 115.180 0.461 1
1 885 . 20 1 1 A 73 73 SER H H 73 8.265 8.178 0.087 1
1 886 . 20 1 1 A 73 73 SER HA H 73 4.029 4.002 0.027 1
1 889 . 20 1 1 A 73 73 SER C C 73 176.825 177.376 -0.551 1
1 890 . 20 1 1 A 73 73 SER CA C 73 61.746 61.640 0.106 1
1 891 . 20 1 1 A 73 73 SER CB C 73 62.746 62.937 -0.191 1
1 892 . 20 1 1 A 73 73 SER N N 73 115.814 117.102 -1.288 1
1 893 . 20 1 1 A 74 74 GLN H H 74 8.119 7.864 0.255 1
1 894 . 20 1 1 A 74 74 GLN HA H 74 4.090 4.056 0.034 1
1 901 . 20 1 1 A 74 74 GLN C C 74 178.630 177.873 0.757 1
1 902 . 20 1 1 A 74 74 GLN CA C 74 58.903 58.449 0.454 1
1 903 . 20 1 1 A 74 74 GLN CB C 74 27.943 28.841 -0.898 1
1 905 . 20 1 1 A 74 74 GLN N N 74 121.446 120.492 0.954 1
1 907 . 20 1 1 A 75 75 ALA H H 75 8.210 7.840 0.370 1
1 908 . 20 1 1 A 75 75 ALA HA H 75 3.879 4.056 -0.177 1
1 912 . 20 1 1 A 75 75 ALA C C 75 178.843 179.799 -0.956 1
1 913 . 20 1 1 A 75 75 ALA CA C 75 54.959 55.085 -0.126 1
1 914 . 20 1 1 A 75 75 ALA CB C 75 20.226 18.429 1.797 1
1 915 . 20 1 1 A 75 75 ALA N N 75 121.007 122.106 -1.099 1
1 916 . 20 1 1 A 76 76 VAL H H 76 8.257 8.493 -0.236 1
1 917 . 20 1 1 A 76 76 VAL HA H 76 3.472 3.460 0.012 1
1 925 . 20 1 1 A 76 76 VAL C C 76 177.639 177.825 -0.186 1
1 926 . 20 1 1 A 76 76 VAL CA C 76 67.080 66.985 0.095 1
1 927 . 20 1 1 A 76 76 VAL CB C 76 30.945 31.642 -0.697 1
1 930 . 20 1 1 A 76 76 VAL N N 76 116.281 118.837 -2.556 1
1 931 . 20 1 1 A 77 77 ASN H H 77 8.190 8.186 0.004 1
1 932 . 20 1 1 A 77 77 ASN HA H 77 4.430 4.396 0.034 1
1 937 . 20 1 1 A 77 77 ASN C C 77 178.638 177.882 0.756 1
1 938 . 20 1 1 A 77 77 ASN CA C 77 56.666 56.663 0.003 1
1 939 . 20 1 1 A 77 77 ASN CB C 77 37.950 39.396 -1.446 1
1 940 . 20 1 1 A 77 77 ASN N N 77 118.786 118.610 0.176 1
1 942 . 20 1 1 A 78 78 LEU H H 78 8.222 8.079 0.143 1
1 943 . 20 1 1 A 78 78 LEU HA H 78 4.045 3.969 0.076 1
1 953 . 20 1 1 A 78 78 LEU C C 78 180.246 179.626 0.620 1
1 954 . 20 1 1 A 78 78 LEU CA C 78 57.926 58.378 -0.452 1
1 955 . 20 1 1 A 78 78 LEU CB C 78 41.892 41.393 0.499 1
1 959 . 20 1 1 A 78 78 LEU N N 78 121.759 119.925 1.834 1
1 960 . 20 1 1 A 79 79 LEU H H 79 7.887 7.966 -0.079 1
1 961 . 20 1 1 A 79 79 LEU HA H 79 4.051 3.934 0.117 1
1 971 . 20 1 1 A 79 79 LEU C C 79 179.804 179.109 0.695 1
1 972 . 20 1 1 A 79 79 LEU CA C 79 57.788 58.110 -0.322 1
1 973 . 20 1 1 A 79 79 LEU CB C 79 41.616 40.913 0.703 1
1 977 . 20 1 1 A 79 79 LEU N N 79 118.127 119.066 -0.939 1
1 978 . 20 1 1 A 80 80 ARG H H 80 8.942 8.215 0.727 1
1 979 . 20 1 1 A 80 80 ARG HA H 80 4.516 4.210 0.306 1
1 987 . 20 1 1 A 80 80 ARG C C 80 181.546 179.629 1.917 1
1 988 . 20 1 1 A 80 80 ARG CA C 80 60.006 59.609 0.397 1
1 989 . 20 1 1 A 80 80 ARG CB C 80 29.510 29.762 -0.252 1
1 992 . 20 1 1 A 80 80 ARG N N 80 120.974 119.563 1.411 1
1 994 . 20 1 1 A 81 81 SER H H 81 8.394 8.385 0.009 1
1 995 . 20 1 1 A 81 81 SER HA H 81 4.307 4.112 0.195 1
1 998 . 20 1 1 A 81 81 SER C C 81 174.601 176.506 -1.905 1
1 999 . 20 1 1 A 81 81 SER CA C 81 61.570 61.466 0.104 1
1 1000 . 20 1 1 A 81 81 SER CB C 81 62.832 63.237 -0.405 1
1 1001 . 20 1 1 A 81 81 SER N N 81 116.329 115.613 0.716 1
1 1002 . 20 1 1 A 82 82 ALA H H 82 7.507 7.431 0.076 1
1 1003 . 20 1 1 A 82 82 ALA HA H 82 4.546 4.424 0.122 1
1 1007 . 20 1 1 A 82 82 ALA C C 82 176.449 177.609 -1.160 1
1 1008 . 20 1 1 A 82 82 ALA CA C 82 51.759 52.184 -0.425 1
1 1009 . 20 1 1 A 82 82 ALA CB C 82 18.850 19.517 -0.667 1
1 1010 . 20 1 1 A 82 82 ALA N N 82 122.576 119.422 3.154 1
1 1011 . 20 1 1 A 83 83 GLY H H 83 7.678 8.112 -0.434 1
1 1012 . 20 1 1 A 83 83 GLY HA2 H 83 3.623 3.837 -0.214 1
1 1013 . 20 1 1 A 83 83 GLY HA3 H 83 4.217 3.902 0.315 1
1 1014 . 20 1 1 A 83 83 GLY C C 83 174.557 174.794 -0.237 1
1 1015 . 20 1 1 A 83 83 GLY CA C 83 44.741 45.058 -0.317 1
1 1016 . 20 1 1 A 83 83 GLY N N 83 104.117 106.529 -2.412 1
1 1017 . 20 1 1 A 84 84 PHE H H 84 7.923 8.072 -0.149 1
1 1018 . 20 1 1 A 84 84 PHE HA H 84 4.254 4.423 -0.169 1
1 1026 . 20 1 1 A 84 84 PHE C C 84 176.479 176.175 0.304 1
1 1027 . 20 1 1 A 84 84 PHE CA C 84 60.127 59.330 0.797 1
1 1028 . 20 1 1 A 84 84 PHE CB C 84 36.999 38.583 -1.584 1
1 1034 . 20 1 1 A 84 84 PHE N N 84 119.861 119.871 -0.010 1
1 1035 . 20 1 1 A 85 85 GLU H H 85 7.730 8.847 -1.117 1
1 1036 . 20 1 1 A 85 85 GLU HA H 85 3.965 4.323 -0.358 1
1 1041 . 20 1 1 A 85 85 GLU C C 85 176.966 177.359 -0.393 1
1 1042 . 20 1 1 A 85 85 GLU CA C 85 57.841 59.183 -1.342 1
1 1043 . 20 1 1 A 85 85 GLU CB C 85 32.054 30.334 1.720 1
1 1045 . 20 1 1 A 85 85 GLU N N 85 122.200 124.725 -2.525 1
1 1046 . 20 1 1 A 86 86 HIS H H 86 9.957 8.035 1.922 1
1 1047 . 20 1 1 A 86 86 HIS HA H 86 4.988 4.716 0.272 1
1 1052 . 20 1 1 A 86 86 HIS C C 86 171.400 174.209 -2.809 1
1 1053 . 20 1 1 A 86 86 HIS CA C 86 53.063 54.911 -1.848 1
1 1054 . 20 1 1 A 86 86 HIS CB C 86 29.823 28.004 1.819 1
1 1057 . 20 1 1 A 86 86 HIS N N 86 122.245 117.557 4.688 1
1 1060 . 20 1 1 A 87 87 VAL H H 87 8.233 8.396 -0.163 1
1 1061 . 20 1 1 A 87 87 VAL HA H 87 4.934 4.778 0.156 1
1 1069 . 20 1 1 A 87 87 VAL C C 87 175.510 174.275 1.235 1
1 1070 . 20 1 1 A 87 87 VAL CA C 87 59.972 61.017 -1.045 1
1 1071 . 20 1 1 A 87 87 VAL CB C 87 33.883 34.428 -0.545 1
1 1074 . 20 1 1 A 87 87 VAL N N 87 120.946 125.069 -4.123 1
1 1075 . 20 1 1 A 88 88 SER H H 88 8.968 8.964 0.004 1
1 1076 . 20 1 1 A 88 88 SER HA H 88 4.869 5.435 -0.566 1
1 1079 . 20 1 1 A 88 88 SER C C 88 174.093 173.104 0.989 1
1 1080 . 20 1 1 A 88 88 SER CA C 88 55.935 56.700 -0.765 1
1 1081 . 20 1 1 A 88 88 SER CB C 88 66.077 65.550 0.527 1
1 1082 . 20 1 1 A 88 88 SER N N 88 121.913 122.470 -0.557 1
1 1083 . 20 1 1 A 89 89 GLU H H 89 8.628 8.835 -0.207 1
1 1084 . 20 1 1 A 89 89 GLU HA H 89 4.233 4.871 -0.638 1
1 1089 . 20 1 1 A 89 89 GLU C C 89 175.212 175.742 -0.530 1
1 1090 . 20 1 1 A 89 89 GLU CA C 89 55.728 56.204 -0.476 1
1 1091 . 20 1 1 A 89 89 GLU CB C 89 31.640 30.726 0.914 1
1 1093 . 20 1 1 A 89 89 GLU N N 89 125.288 123.832 1.456 1
1 1094 . 20 1 1 A 90 90 LEU H H 90 8.727 8.617 0.110 1
1 1095 . 20 1 1 A 90 90 LEU HA H 90 4.829 4.842 -0.013 1
1 1105 . 20 1 1 A 90 90 LEU C C 90 175.893 176.323 -0.430 1
1 1106 . 20 1 1 A 90 90 LEU CA C 90 53.771 54.945 -1.174 1
1 1107 . 20 1 1 A 90 90 LEU CB C 90 41.511 43.100 -1.589 1
1 1111 . 20 1 1 A 90 90 LEU N N 90 125.766 125.068 0.698 1
1 1112 . 20 1 1 A 91 91 LYS H H 91 8.715 8.930 -0.215 1
1 1113 . 20 1 1 A 91 91 LYS HA H 91 4.164 4.023 0.141 1
1 1122 . 20 1 1 A 91 91 LYS C C 91 177.680 177.427 0.253 1
1 1123 . 20 1 1 A 91 91 LYS CA C 91 57.796 58.223 -0.427 1
1 1124 . 20 1 1 A 91 91 LYS CB C 91 31.705 31.879 -0.174 1
1 1128 . 20 1 1 A 91 91 LYS N N 91 131.405 126.885 4.520 1
1 1129 . 20 1 1 A 92 92 GLY H H 92 9.408 8.284 1.124 1
1 1130 . 20 1 1 A 92 92 GLY HA2 H 92 3.828 3.932 -0.104 1
1 1131 . 20 1 1 A 92 92 GLY HA3 H 92 4.268 3.937 0.331 1
1 1132 . 20 1 1 A 92 92 GLY C C 92 175.634 174.868 0.766 1
1 1133 . 20 1 1 A 92 92 GLY CA C 92 46.001 45.110 0.891 1
1 1134 . 20 1 1 A 92 92 GLY N N 92 115.262 111.858 3.404 1
1 1135 . 20 1 1 A 93 93 GLY H H 93 7.616 8.531 -0.915 1
1 1136 . 20 1 1 A 93 93 GLY HA2 H 93 3.429 4.041 -0.612 1
1 1137 . 20 1 1 A 93 93 GLY HA3 H 93 4.276 4.071 0.205 1
1 1138 . 20 1 1 A 93 93 GLY C C 93 172.357 174.612 -2.255 1
1 1139 . 20 1 1 A 93 93 GLY CA C 93 46.436 46.222 0.214 1
1 1140 . 20 1 1 A 93 93 GLY N N 93 106.201 110.284 -4.083 1
1 1141 . 20 1 1 A 94 94 LEU H H 94 8.854 8.989 -0.135 1
1 1142 . 20 1 1 A 94 94 LEU HA H 94 3.643 4.177 -0.534 1
1 1152 . 20 1 1 A 94 94 LEU C C 94 178.092 178.664 -0.572 1
1 1153 . 20 1 1 A 94 94 LEU CA C 94 56.966 57.364 -0.398 1
1 1154 . 20 1 1 A 94 94 LEU CB C 94 41.937 41.728 0.209 1
1 1158 . 20 1 1 A 94 94 LEU N N 94 124.279 125.611 -1.332 1
1 1159 . 20 1 1 A 95 95 ALA H H 95 8.683 8.349 0.334 1
1 1160 . 20 1 1 A 95 95 ALA HA H 95 4.061 4.021 0.040 1
1 1164 . 20 1 1 A 95 95 ALA C C 95 180.877 179.634 1.243 1
1 1165 . 20 1 1 A 95 95 ALA CA C 95 55.406 55.765 -0.359 1
1 1166 . 20 1 1 A 95 95 ALA CB C 95 18.053 17.930 0.123 1
1 1167 . 20 1 1 A 95 95 ALA N N 95 120.253 120.896 -0.643 1
1 1168 . 20 1 1 A 96 96 ALA H H 96 7.249 7.640 -0.391 1
1 1169 . 20 1 1 A 96 96 ALA HA H 96 4.132 4.054 0.078 1
1 1173 . 20 1 1 A 96 96 ALA C C 96 179.350 179.484 -0.134 1
1 1174 . 20 1 1 A 96 96 ALA CA C 96 54.429 55.100 -0.671 1
1 1175 . 20 1 1 A 96 96 ALA CB C 96 18.580 18.400 0.180 1
1 1176 . 20 1 1 A 96 96 ALA N N 96 121.080 119.720 1.360 1
1 1177 . 20 1 1 A 97 97 TRP H H 97 7.636 7.875 -0.239 1
1 1178 . 20 1 1 A 97 97 TRP HA H 97 4.051 4.131 -0.080 1
1 1187 . 20 1 1 A 97 97 TRP C C 97 178.223 178.755 -0.532 1
1 1188 . 20 1 1 A 97 97 TRP CA C 97 59.343 61.638 -2.295 1
1 1189 . 20 1 1 A 97 97 TRP CB C 97 29.734 29.601 0.133 1
1 1195 . 20 1 1 A 97 97 TRP N N 97 119.015 121.081 -2.066 1
1 1197 . 20 1 1 A 98 98 LYS H H 98 8.764 8.567 0.197 1
1 1198 . 20 1 1 A 98 98 LYS HA H 98 3.886 4.040 -0.154 1
1 1207 . 20 1 1 A 98 98 LYS C C 98 180.503 179.180 1.323 1
1 1208 . 20 1 1 A 98 98 LYS CA C 98 59.365 59.594 -0.229 1
1 1209 . 20 1 1 A 98 98 LYS CB C 98 31.899 32.328 -0.429 1
1 1213 . 20 1 1 A 98 98 LYS N N 98 117.855 118.421 -0.566 1
1 1214 . 20 1 1 A 99 99 ALA H H 99 7.802 8.367 -0.565 1
1 1215 . 20 1 1 A 99 99 ALA HA H 99 4.139 4.088 0.051 1
1 1219 . 20 1 1 A 99 99 ALA C C 99 179.188 179.372 -0.184 1
1 1220 . 20 1 1 A 99 99 ALA CA C 99 54.521 54.910 -0.389 1
1 1221 . 20 1 1 A 99 99 ALA CB C 99 18.016 18.392 -0.376 1
1 1222 . 20 1 1 A 99 99 ALA N N 99 121.263 122.066 -0.803 1
1 1223 . 20 1 1 A 100 100 ILE H H 100 6.803 7.494 -0.691 1
1 1224 . 20 1 1 A 100 100 ILE HA H 100 4.509 4.085 0.424 1
1 1234 . 20 1 1 A 100 100 ILE C C 100 175.810 176.157 -0.347 1
1 1235 . 20 1 1 A 100 100 ILE CA C 100 59.964 60.730 -0.766 1
1 1236 . 20 1 1 A 100 100 ILE CB C 100 37.866 37.108 0.758 1
1 1240 . 20 1 1 A 100 100 ILE N N 100 107.978 110.897 -2.919 1
1 1241 . 20 1 1 A 101 101 GLY H H 101 7.741 7.860 -0.119 1
1 1242 . 20 1 1 A 101 101 GLY HA2 H 101 3.618 3.821 -0.203 1
1 1243 . 20 1 1 A 101 101 GLY HA3 H 101 3.866 3.829 0.037 1
1 1244 . 20 1 1 A 101 101 GLY C C 101 175.319 174.951 0.368 1
1 1245 . 20 1 1 A 101 101 GLY CA C 101 45.444 45.363 0.081 1
1 1246 . 20 1 1 A 101 101 GLY N N 101 109.732 110.862 -1.130 1
1 1247 . 20 1 1 A 102 102 GLY H H 102 7.823 7.829 -0.006 1
1 1248 . 20 1 1 A 102 102 GLY HA2 H 102 2.942 2.709 0.233 1
1 1249 . 20 1 1 A 102 102 GLY HA3 H 102 2.942 3.451 -0.509 1
1 1250 . 20 1 1 A 102 102 GLY C C 102 171.578 173.060 -1.482 1
1 1251 . 20 1 1 A 102 102 GLY CA C 102 41.964 44.639 -2.675 1
1 1252 . 20 1 1 A 102 102 GLY N N 102 108.608 107.861 0.747 1
1 1253 . 20 1 1 A 103 103 PRO HA H 103 4.643 4.856 -0.213 1
1 1260 . 20 1 1 A 103 103 PRO C C 103 178.778 176.807 1.971 1
1 1261 . 20 1 1 A 103 103 PRO CA C 103 62.843 62.955 -0.112 1
1 1262 . 20 1 1 A 103 103 PRO CB C 103 32.263 32.015 0.248 1
1 1265 . 20 1 1 A 104 104 THR H H 104 8.760 8.493 0.267 1
1 1266 . 20 1 1 A 104 104 THR HA H 104 5.017 5.140 -0.123 1
1 1271 . 20 1 1 A 104 104 THR C C 104 172.498 173.306 -0.808 1
1 1272 . 20 1 1 A 104 104 THR CA C 104 59.729 59.387 0.342 1
1 1273 . 20 1 1 A 104 104 THR CB C 104 72.479 72.294 0.185 1
1 1275 . 20 1 1 A 104 104 THR N N 104 116.086 112.431 3.655 1
1 1276 . 20 1 1 A 105 105 GLU H H 105 8.267 8.729 -0.462 1
1 1277 . 20 1 1 A 105 105 GLU HA H 105 4.499 4.990 -0.491 1
1 1282 . 20 1 1 A 105 105 GLU C C 105 173.848 175.379 -1.531 1
1 1283 . 20 1 1 A 105 105 GLU CA C 105 54.647 54.531 0.116 1
1 1284 . 20 1 1 A 105 105 GLU CB C 105 34.227 32.363 1.864 1
1 1286 . 20 1 1 A 105 105 GLU N N 105 117.663 120.255 -2.592 1
1 1287 . 20 1 1 A 106 106 GLY H H 106 8.207 8.335 -0.128 1
1 1288 . 20 1 1 A 106 106 GLY HA2 H 106 3.873 4.227 -0.354 1
1 1289 . 20 1 1 A 106 106 GLY HA3 H 106 3.873 4.267 -0.394 1
1 1290 . 20 1 1 A 106 106 GLY C C 106 173.052 174.043 -0.991 1
1 1291 . 20 1 1 A 106 106 GLY CA C 106 44.313 45.276 -0.963 1
1 1292 . 20 1 1 A 106 106 GLY N N 106 108.896 108.290 0.606 1
1 1293 . 20 1 1 A 107 107 ILE H H 107 8.333 9.021 -0.688 1
1 1294 . 20 1 1 A 107 107 ILE HA H 107 4.110 3.919 0.191 1
1 1304 . 20 1 1 A 107 107 ILE C C 107 176.773 177.902 -1.129 1
1 1305 . 20 1 1 A 107 107 ILE CA C 107 62.404 63.841 -1.437 1
1 1306 . 20 1 1 A 107 107 ILE CB C 107 38.826 37.923 0.903 1
1 1310 . 20 1 1 A 107 107 ILE N N 107 119.410 119.164 0.246 1
1 1311 . 20 1 1 A 108 108 ILE H H 108 8.369 7.723 0.646 1
1 1312 . 20 1 1 A 108 108 ILE HA H 108 4.167 3.951 0.216 1
1 1322 . 20 1 1 A 108 108 ILE C C 108 176.821 176.613 0.208 1
1 1323 . 20 1 1 A 108 108 ILE CA C 108 61.060 64.243 -3.183 1
1 1324 . 20 1 1 A 108 108 ILE CB C 108 37.984 37.196 0.788 1
1 1328 . 20 1 1 A 108 108 ILE N N 108 122.390 116.905 5.485 1
1 1329 . 20 1 1 A 109 109 GLU H H 109 8.127 7.628 0.499 1
1 1330 . 20 1 1 A 109 109 GLU HA H 109 4.218 4.535 -0.317 1
1 1335 . 20 1 1 A 109 109 GLU C C 109 176.438 176.130 0.308 1
1 1336 . 20 1 1 A 109 109 GLU CA C 109 56.548 55.703 0.845 1
1 1337 . 20 1 1 A 109 109 GLU CB C 109 30.178 27.904 2.274 1
1 1339 . 20 1 1 A 109 109 GLU N N 109 123.739 121.763 1.976 1
1 1340 . 20 1 1 A 110 110 SER H H 110 8.291 8.399 -0.108 1
1 1341 . 20 1 1 A 110 110 SER HA H 110 4.446 4.691 -0.245 1
1 1344 . 20 1 1 A 110 110 SER C C 110 174.330 173.607 0.723 1
1 1345 . 20 1 1 A 110 110 SER CA C 110 58.252 59.407 -1.155 1
1 1346 . 20 1 1 A 110 110 SER CB C 110 63.598 65.910 -2.312 1
1 1347 . 20 1 1 A 110 110 SER N N 110 116.242 120.262 -4.020 1
1 1348 . 20 1 1 A 111 111 ARG H H 111 8.238 7.859 0.379 1
1 1349 . 20 1 1 A 111 111 ARG HA H 111 4.426 4.485 -0.059 1
1 1357 . 20 1 1 A 111 111 ARG C C 111 176.113 175.589 0.524 1
1 1358 . 20 1 1 A 111 111 ARG CA C 111 55.848 55.766 0.082 1
1 1359 . 20 1 1 A 111 111 ARG CB C 111 30.755 31.233 -0.478 1
1 1362 . 20 1 1 A 111 111 ARG N N 111 122.827 121.195 1.632 1
1 1364 . 20 1 1 A 112 112 THR H H 112 8.229 8.659 -0.430 1
1 1365 . 20 1 1 A 112 112 THR HA H 112 4.573 4.671 -0.098 1
1 1370 . 20 1 1 A 112 112 THR C C 112 172.790 173.318 -0.528 1
1 1371 . 20 1 1 A 112 112 THR CA C 112 59.716 58.944 0.772 1
1 1372 . 20 1 1 A 112 112 THR CB C 112 69.503 69.427 0.076 1
1 1374 . 20 1 1 A 112 112 THR N N 112 117.863 119.607 -1.744 1
1 1375 . 20 1 1 A 113 113 PRO HA H 113 4.388 4.796 -0.408 1
1 1382 . 20 1 1 A 113 113 PRO C C 113 176.605 175.612 0.993 1
1 1383 . 20 1 1 A 113 113 PRO CA C 113 63.131 62.322 0.809 1
1 1384 . 20 1 1 A 113 113 PRO CB C 113 31.931 31.003 0.928 1
1 1387 . 20 1 1 A 114 114 ALA H H 114 8.422 8.597 -0.175 1
1 1388 . 20 1 1 A 114 114 ALA HA H 114 4.284 4.996 -0.712 1
1 1392 . 20 1 1 A 114 114 ALA C C 114 178.251 176.510 1.741 1
1 1393 . 20 1 1 A 114 114 ALA CA C 114 52.518 50.748 1.770 1
1 1394 . 20 1 1 A 114 114 ALA CB C 114 19.131 20.990 -1.859 1
1 1395 . 20 1 1 A 114 114 ALA N N 114 124.466 126.785 -2.319 1
1 1396 . 20 1 1 A 115 115 GLY H H 115 8.380 8.377 0.003 1
1 1397 . 20 1 1 A 115 115 GLY HA2 H 115 3.956 4.070 -0.114 1
1 1398 . 20 1 1 A 115 115 GLY HA3 H 115 3.934 4.070 -0.136 1
1 1399 . 20 1 1 A 115 115 GLY C C 115 174.020 171.959 2.061 1
1 1400 . 20 1 1 A 115 115 GLY CA C 115 45.095 45.903 -0.808 1
1 1401 . 20 1 1 A 115 115 GLY N N 115 108.587 109.801 -1.214 1
1 1402 . 20 1 1 A 116 116 ALA H H 116 8.127 8.660 -0.533 1
1 1403 . 20 1 1 A 116 116 ALA HA H 116 4.292 5.034 -0.742 1
1 1407 . 20 1 1 A 116 116 ALA C C 116 177.565 175.664 1.901 1
1 1408 . 20 1 1 A 116 116 ALA CA C 116 52.504 51.460 1.044 1
1 1409 . 20 1 1 A 116 116 ALA CB C 116 19.187 23.299 -4.112 1
1 1410 . 20 1 1 A 116 116 ALA N N 116 123.523 126.250 -2.727 1
1 1411 . 20 1 1 A 117 117 ASP H H 117 8.316 9.015 -0.699 1
1 1412 . 20 1 1 A 117 117 ASP HA H 117 4.555 5.442 -0.887 1
1 1415 . 20 1 1 A 117 117 ASP C C 117 175.899 173.537 2.362 1
1 1416 . 20 1 1 A 117 117 ASP CA C 117 54.254 52.405 1.849 1
1 1417 . 20 1 1 A 117 117 ASP CB C 117 40.962 44.312 -3.350 1
1 1418 . 20 1 1 A 117 117 ASP N N 117 118.783 117.469 1.314 1
1 1419 . 20 1 1 A 118 118 ASP H H 118 8.083 8.620 -0.537 1
1 1420 . 20 1 1 A 118 118 ASP HA H 118 4.529 5.357 -0.828 1
1 1423 . 20 1 1 A 118 118 ASP C C 118 176.278 173.952 2.326 1
1 1424 . 20 1 1 A 118 118 ASP CA C 118 54.202 53.346 0.856 1
1 1425 . 20 1 1 A 118 118 ASP CB C 118 40.933 44.569 -3.636 1
1 1426 . 20 1 1 A 118 118 ASP N N 118 119.935 119.505 0.430 1
1 1427 . 20 1 1 A 119 119 TYR H H 119 8.107 8.775 -0.668 1
1 1428 . 20 1 1 A 119 119 TYR HA H 119 4.450 4.880 -0.430 1
1 1435 . 20 1 1 A 119 119 TYR C C 119 175.825 174.406 1.419 1
1 1436 . 20 1 1 A 119 119 TYR CA C 119 58.350 58.293 0.057 1
1 1437 . 20 1 1 A 119 119 TYR CB C 119 38.260 40.479 -2.219 1
1 1442 . 20 1 1 A 119 119 TYR N N 119 120.415 123.185 -2.770 1
1 1443 . 20 1 1 A 120 120 ASN H H 120 8.276 8.776 -0.500 1
1 1444 . 20 1 1 A 120 120 ASN HA H 120 4.615 4.741 -0.126 1
1 1449 . 20 1 1 A 120 120 ASN C C 120 175.102 175.138 -0.036 1
1 1450 . 20 1 1 A 120 120 ASN CA C 120 53.396 52.254 1.142 1
1 1451 . 20 1 1 A 120 120 ASN CB C 120 38.712 39.289 -0.577 1
1 1452 . 20 1 1 A 120 120 ASN N N 120 119.834 123.432 -3.598 1
1 1454 . 20 1 1 A 121 121 VAL H H 121 7.897 7.155 0.742 1
1 1455 . 20 1 1 A 121 121 VAL HA H 121 4.009 4.132 -0.123 1
1 1463 . 20 1 1 A 121 121 VAL C C 121 176.484 175.536 0.948 1
1 1464 . 20 1 1 A 121 121 VAL CA C 121 62.950 61.608 1.342 1
1 1465 . 20 1 1 A 121 121 VAL CB C 121 32.326 32.351 -0.025 1
1 1468 . 20 1 1 A 121 121 VAL N N 121 120.109 116.716 3.393 1
1 1469 . 20 1 1 A 122 122 VAL H H 122 8.091 8.444 -0.353 1
1 1470 . 20 1 1 A 122 122 VAL HA H 122 4.014 3.866 0.148 1
1 1478 . 20 1 1 A 122 122 VAL C C 122 176.568 174.405 2.163 1
1 1479 . 20 1 1 A 122 122 VAL CA C 122 62.924 62.609 0.315 1
1 1480 . 20 1 1 A 122 122 VAL CB C 122 32.279 30.839 1.440 1
1 1483 . 20 1 1 A 122 122 VAL N N 122 122.407 121.064 1.343 1
1 1484 . 20 1 1 A 123 123 SER H H 123 8.228 7.932 0.296 1
1 1485 . 20 1 1 A 123 123 SER HA H 123 4.385 4.972 -0.587 1
1 1488 . 20 1 1 A 123 123 SER C C 123 174.863 172.486 2.377 1
1 1489 . 20 1 1 A 123 123 SER CA C 123 58.525 57.654 0.871 1
1 1490 . 20 1 1 A 123 123 SER CB C 123 63.450 64.589 -1.139 1
1 1491 . 20 1 1 A 123 123 SER N N 123 118.095 121.941 -3.846 1
1 1492 . 20 1 1 A 124 124 ARG H H 124 8.208 8.854 -0.646 1
1 1493 . 20 1 1 A 124 124 ARG HA H 124 4.297 4.952 -0.655 1
1 1500 . 20 1 1 A 124 124 ARG C C 124 176.328 174.037 2.291 1
1 1501 . 20 1 1 A 124 124 ARG CA C 124 56.408 55.187 1.221 1
1 1502 . 20 1 1 A 124 124 ARG CB C 124 30.480 34.267 -3.787 1
1 1505 . 20 1 1 A 124 124 ARG N N 124 122.632 128.133 -5.501 1
1 1506 . 20 1 1 A 125 125 LEU H H 125 8.081 8.665 -0.584 1
1 1507 . 20 1 1 A 125 125 LEU HA H 125 4.262 4.982 -0.720 1
1 1517 . 20 1 1 A 125 125 LEU C C 125 177.375 174.797 2.578 1
1 1518 . 20 1 1 A 125 125 LEU CA C 125 55.282 54.287 0.995 1
1 1519 . 20 1 1 A 125 125 LEU CB C 125 42.042 46.007 -3.965 1
1 1523 . 20 1 1 A 125 125 LEU N N 125 121.964 125.403 -3.439 1
1 1524 . 20 1 1 A 126 126 GLU H H 126 8.232 8.787 -0.555 1
1 1525 . 20 1 1 A 126 126 GLU HA H 126 4.179 4.815 -0.636 1
1 1530 . 20 1 1 A 126 126 GLU C C 126 176.238 174.503 1.735 1
1 1531 . 20 1 1 A 126 126 GLU CA C 126 56.451 55.522 0.929 1
1 1532 . 20 1 1 A 126 126 GLU CB C 126 30.131 33.462 -3.331 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 125 1.272 1
2 1 1 1 "RMS(OBS, PRED)" CA 125 1.152 1
3 1 1 1 "RMS(OBS, PRED)" CB 113 1.280 1
4 1 1 1 "RMS(OBS, PRED)" H 120 0.518 1
5 1 1 1 "RMS(OBS, PRED)" HA 137 0.361 1
6 1 1 1 "RMS(OBS, PRED)" N 119 2.676 1
7 1 2 1 "RMS(OBS, PRED)" C 125 1.228 1
8 1 2 1 "RMS(OBS, PRED)" CA 125 1.082 1
9 1 2 1 "RMS(OBS, PRED)" CB 113 1.320 1
10 1 2 1 "RMS(OBS, PRED)" H 120 0.525 1
11 1 2 1 "RMS(OBS, PRED)" HA 137 0.340 1
12 1 2 1 "RMS(OBS, PRED)" N 119 2.415 1
13 1 3 1 "RMS(OBS, PRED)" C 125 1.366 1
14 1 3 1 "RMS(OBS, PRED)" CA 125 1.039 1
15 1 3 1 "RMS(OBS, PRED)" CB 113 1.435 1
16 1 3 1 "RMS(OBS, PRED)" H 120 0.538 1
17 1 3 1 "RMS(OBS, PRED)" HA 137 0.331 1
18 1 3 1 "RMS(OBS, PRED)" N 119 2.672 1
19 1 4 1 "RMS(OBS, PRED)" C 125 1.203 1
20 1 4 1 "RMS(OBS, PRED)" CA 125 1.117 1
21 1 4 1 "RMS(OBS, PRED)" CB 113 1.206 1
22 1 4 1 "RMS(OBS, PRED)" H 120 0.552 1
23 1 4 1 "RMS(OBS, PRED)" HA 137 0.297 1
24 1 4 1 "RMS(OBS, PRED)" N 119 2.733 1
25 1 5 1 "RMS(OBS, PRED)" C 125 1.347 1
26 1 5 1 "RMS(OBS, PRED)" CA 125 1.122 1
27 1 5 1 "RMS(OBS, PRED)" CB 113 1.366 1
28 1 5 1 "RMS(OBS, PRED)" H 120 0.525 1
29 1 5 1 "RMS(OBS, PRED)" HA 137 0.328 1
30 1 5 1 "RMS(OBS, PRED)" N 119 2.753 1
31 1 6 1 "RMS(OBS, PRED)" C 125 1.257 1
32 1 6 1 "RMS(OBS, PRED)" CA 125 1.120 1
33 1 6 1 "RMS(OBS, PRED)" CB 113 1.389 1
34 1 6 1 "RMS(OBS, PRED)" H 120 0.520 1
35 1 6 1 "RMS(OBS, PRED)" HA 137 0.333 1
36 1 6 1 "RMS(OBS, PRED)" N 119 2.661 1
37 1 7 1 "RMS(OBS, PRED)" C 125 1.235 1
38 1 7 1 "RMS(OBS, PRED)" CA 125 0.998 1
39 1 7 1 "RMS(OBS, PRED)" CB 113 1.276 1
40 1 7 1 "RMS(OBS, PRED)" H 120 0.535 1
41 1 7 1 "RMS(OBS, PRED)" HA 137 0.308 1
42 1 7 1 "RMS(OBS, PRED)" N 119 2.472 1
43 1 8 1 "RMS(OBS, PRED)" C 125 1.280 1
44 1 8 1 "RMS(OBS, PRED)" CA 125 1.115 1
45 1 8 1 "RMS(OBS, PRED)" CB 113 1.318 1
46 1 8 1 "RMS(OBS, PRED)" H 120 0.520 1
47 1 8 1 "RMS(OBS, PRED)" HA 137 0.342 1
48 1 8 1 "RMS(OBS, PRED)" N 119 2.306 1
49 1 9 1 "RMS(OBS, PRED)" C 125 1.281 1
50 1 9 1 "RMS(OBS, PRED)" CA 125 1.061 1
51 1 9 1 "RMS(OBS, PRED)" CB 113 1.390 1
52 1 9 1 "RMS(OBS, PRED)" H 120 0.537 1
53 1 9 1 "RMS(OBS, PRED)" HA 137 0.340 1
54 1 9 1 "RMS(OBS, PRED)" N 119 2.629 1
55 1 10 1 "RMS(OBS, PRED)" C 125 1.319 1
56 1 10 1 "RMS(OBS, PRED)" CA 125 1.171 1
57 1 10 1 "RMS(OBS, PRED)" CB 113 1.313 1
58 1 10 1 "RMS(OBS, PRED)" H 120 0.550 1
59 1 10 1 "RMS(OBS, PRED)" HA 137 0.348 1
60 1 10 1 "RMS(OBS, PRED)" N 119 2.568 1
61 1 11 1 "RMS(OBS, PRED)" C 125 1.272 1
62 1 11 1 "RMS(OBS, PRED)" CA 125 1.153 1
63 1 11 1 "RMS(OBS, PRED)" CB 113 1.286 1
64 1 11 1 "RMS(OBS, PRED)" H 120 0.506 1
65 1 11 1 "RMS(OBS, PRED)" HA 137 0.315 1
66 1 11 1 "RMS(OBS, PRED)" N 119 2.686 1
67 1 12 1 "RMS(OBS, PRED)" C 125 1.229 1
68 1 12 1 "RMS(OBS, PRED)" CA 125 1.121 1
69 1 12 1 "RMS(OBS, PRED)" CB 113 1.170 1
70 1 12 1 "RMS(OBS, PRED)" H 120 0.497 1
71 1 12 1 "RMS(OBS, PRED)" HA 137 0.299 1
72 1 12 1 "RMS(OBS, PRED)" N 119 2.372 1
73 1 13 1 "RMS(OBS, PRED)" C 125 1.244 1
74 1 13 1 "RMS(OBS, PRED)" CA 125 1.143 1
75 1 13 1 "RMS(OBS, PRED)" CB 113 1.266 1
76 1 13 1 "RMS(OBS, PRED)" H 120 0.541 1
77 1 13 1 "RMS(OBS, PRED)" HA 137 0.328 1
78 1 13 1 "RMS(OBS, PRED)" N 119 2.681 1
79 1 14 1 "RMS(OBS, PRED)" C 125 1.214 1
80 1 14 1 "RMS(OBS, PRED)" CA 125 1.197 1
81 1 14 1 "RMS(OBS, PRED)" CB 113 1.081 1
82 1 14 1 "RMS(OBS, PRED)" H 120 0.514 1
83 1 14 1 "RMS(OBS, PRED)" HA 137 0.308 1
84 1 14 1 "RMS(OBS, PRED)" N 119 2.317 1
85 1 15 1 "RMS(OBS, PRED)" C 125 1.324 1
86 1 15 1 "RMS(OBS, PRED)" CA 125 1.151 1
87 1 15 1 "RMS(OBS, PRED)" CB 113 1.360 1
88 1 15 1 "RMS(OBS, PRED)" H 120 0.483 1
89 1 15 1 "RMS(OBS, PRED)" HA 137 0.352 1
90 1 15 1 "RMS(OBS, PRED)" N 119 2.315 1
91 1 16 1 "RMS(OBS, PRED)" C 125 1.279 1
92 1 16 1 "RMS(OBS, PRED)" CA 125 1.107 1
93 1 16 1 "RMS(OBS, PRED)" CB 113 1.398 1
94 1 16 1 "RMS(OBS, PRED)" H 120 0.520 1
95 1 16 1 "RMS(OBS, PRED)" HA 137 0.350 1
96 1 16 1 "RMS(OBS, PRED)" N 119 2.705 1
97 1 17 1 "RMS(OBS, PRED)" C 125 1.261 1
98 1 17 1 "RMS(OBS, PRED)" CA 125 1.129 1
99 1 17 1 "RMS(OBS, PRED)" CB 113 1.240 1
100 1 17 1 "RMS(OBS, PRED)" H 120 0.536 1
101 1 17 1 "RMS(OBS, PRED)" HA 137 0.309 1
102 1 17 1 "RMS(OBS, PRED)" N 119 2.485 1
103 1 18 1 "RMS(OBS, PRED)" C 125 1.192 1
104 1 18 1 "RMS(OBS, PRED)" CA 125 1.067 1
105 1 18 1 "RMS(OBS, PRED)" CB 113 1.250 1
106 1 18 1 "RMS(OBS, PRED)" H 120 0.527 1
107 1 18 1 "RMS(OBS, PRED)" HA 137 0.347 1
108 1 18 1 "RMS(OBS, PRED)" N 119 2.750 1
109 1 19 1 "RMS(OBS, PRED)" C 125 1.261 1
110 1 19 1 "RMS(OBS, PRED)" CA 125 1.113 1
111 1 19 1 "RMS(OBS, PRED)" CB 113 1.421 1
112 1 19 1 "RMS(OBS, PRED)" H 120 0.518 1
113 1 19 1 "RMS(OBS, PRED)" HA 137 0.317 1
114 1 19 1 "RMS(OBS, PRED)" N 119 2.449 1
115 1 20 1 "RMS(OBS, PRED)" C 125 1.245 1
116 1 20 1 "RMS(OBS, PRED)" CA 125 1.032 1
117 1 20 1 "RMS(OBS, PRED)" CB 113 1.353 1
118 1 20 1 "RMS(OBS, PRED)" H 120 0.489 1
119 1 20 1 "RMS(OBS, PRED)" HA 137 0.340 1
120 1 20 1 "RMS(OBS, PRED)" N 119 2.482 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 14 . 1 1 A 2 2 GLU H H 2 8.824 8.575 0.249 2
1 15 . 1 1 A 2 2 GLU HA H 2 4.687 4.514 0.173 2
1 20 . 1 1 A 2 2 GLU C C 2 175.506 176.503 -0.997 2
1 21 . 1 1 A 2 2 GLU CA C 2 54.603 55.142 -0.539 2
1 22 . 1 1 A 2 2 GLU CB C 2 29.310 29.348 -0.038 2
1 24 . 1 1 A 2 2 GLU N N 2 125.698 123.082 2.616 2
1 25 . 1 1 A 3 3 PRO HA H 3 4.398 4.398 0.000 2
1 32 . 1 1 A 3 3 PRO C C 3 176.267 176.535 -0.268 2
1 33 . 1 1 A 3 3 PRO CA C 3 64.781 64.922 -0.141 2
1 34 . 1 1 A 3 3 PRO CB C 3 31.918 31.915 0.003 2
1 37 . 1 1 A 4 4 GLN H H 4 7.738 7.938 -0.200 2
1 38 . 1 1 A 4 4 GLN HA H 4 4.908 4.932 -0.024 2
1 45 . 1 1 A 4 4 GLN C C 4 175.006 174.341 0.665 2
1 46 . 1 1 A 4 4 GLN CA C 4 54.697 54.706 -0.009 2
1 47 . 1 1 A 4 4 GLN CB C 4 31.196 31.090 0.106 2
1 49 . 1 1 A 4 4 GLN N N 4 114.971 117.593 -2.622 2
1 51 . 1 1 A 5 5 SER H H 5 9.180 8.984 0.196 2
1 52 . 1 1 A 5 5 SER HA H 5 4.825 5.130 -0.305 2
1 55 . 1 1 A 5 5 SER C C 5 172.669 173.041 -0.372 2
1 56 . 1 1 A 5 5 SER CA C 5 58.100 57.013 1.087 2
1 57 . 1 1 A 5 5 SER CB C 5 65.536 65.101 0.435 2
1 58 . 1 1 A 5 5 SER N N 5 117.801 119.901 -2.100 2
1 59 . 1 1 A 6 6 ASP H H 6 8.386 8.683 -0.297 2
1 60 . 1 1 A 6 6 ASP HA H 6 4.841 4.655 0.186 2
1 63 . 1 1 A 6 6 ASP C C 6 177.071 177.357 -0.286 2
1 64 . 1 1 A 6 6 ASP CA C 6 53.810 54.340 -0.530 2
1 65 . 1 1 A 6 6 ASP CB C 6 42.427 42.421 0.006 2
1 66 . 1 1 A 6 6 ASP N N 6 123.042 125.343 -2.301 2
1 67 . 1 1 A 7 7 ALA H H 7 9.312 8.909 0.403 2
1 68 . 1 1 A 7 7 ALA HA H 7 4.036 4.133 -0.097 2
1 72 . 1 1 A 7 7 ALA C C 7 178.859 179.857 -0.998 2
1 73 . 1 1 A 7 7 ALA CA C 7 55.703 55.404 0.299 2
1 74 . 1 1 A 7 7 ALA CB C 7 17.952 18.289 -0.337 2
1 75 . 1 1 A 7 7 ALA N N 7 123.976 127.415 -3.439 2
1 76 . 1 1 A 8 8 HIS H H 8 8.537 7.714 0.823 2
1 77 . 1 1 A 8 8 HIS HA H 8 3.950 4.227 -0.277 2
1 82 . 1 1 A 8 8 HIS C C 8 178.023 177.555 0.468 2
1 83 . 1 1 A 8 8 HIS CA C 8 59.778 58.760 1.018 2
1 84 . 1 1 A 8 8 HIS CB C 8 29.039 29.027 0.012 2
1 87 . 1 1 A 8 8 HIS N N 8 114.303 116.590 -2.287 2
1 90 . 1 1 A 9 9 VAL H H 9 7.567 7.979 -0.412 2
1 91 . 1 1 A 9 9 VAL HA H 9 3.709 3.454 0.255 2
1 99 . 1 1 A 9 9 VAL C C 9 178.518 178.139 0.379 2
1 100 . 1 1 A 9 9 VAL CA C 9 65.508 66.729 -1.221 2
1 101 . 1 1 A 9 9 VAL CB C 9 31.604 31.436 0.168 2
1 104 . 1 1 A 9 9 VAL N N 9 121.235 120.418 0.817 2
1 105 . 1 1 A 10 10 LEU H H 10 7.219 8.142 -0.923 2
1 106 . 1 1 A 10 10 LEU HA H 10 3.716 3.791 -0.075 2
1 116 . 1 1 A 10 10 LEU C C 10 177.133 178.207 -1.074 2
1 117 . 1 1 A 10 10 LEU CA C 10 57.133 58.441 -1.308 2
1 118 . 1 1 A 10 10 LEU CB C 10 40.756 41.346 -0.590 2
1 122 . 1 1 A 10 10 LEU N N 10 120.890 120.524 0.366 2
1 123 . 1 1 A 11 11 LYS H H 11 8.568 8.243 0.325 2
1 124 . 1 1 A 11 11 LYS HA H 11 3.943 3.914 0.029 2
1 133 . 1 1 A 11 11 LYS C C 11 178.143 178.954 -0.811 2
1 134 . 1 1 A 11 11 LYS CA C 11 60.388 59.581 0.807 2
1 135 . 1 1 A 11 11 LYS CB C 11 32.354 31.825 0.529 2
1 139 . 1 1 A 11 11 LYS N N 11 120.361 119.724 0.637 2
1 140 . 1 1 A 12 12 SER H H 12 7.865 8.275 -0.410 2
1 141 . 1 1 A 12 12 SER HA H 12 4.225 4.334 -0.109 2
1 144 . 1 1 A 12 12 SER C C 12 175.839 176.687 -0.848 2
1 145 . 1 1 A 12 12 SER CA C 12 61.626 61.564 0.062 2
1 146 . 1 1 A 12 12 SER CB C 12 62.749 62.594 0.155 2
1 147 . 1 1 A 12 12 SER N N 12 113.173 116.651 -3.478 2
1 148 . 1 1 A 13 13 ARG H H 13 7.701 7.655 0.046 2
1 149 . 1 1 A 13 13 ARG HA H 13 3.827 4.212 -0.384 2
1 157 . 1 1 A 13 13 ARG C C 13 178.606 178.868 -0.262 2
1 158 . 1 1 A 13 13 ARG CA C 13 58.926 58.765 0.161 2
1 159 . 1 1 A 13 13 ARG CB C 13 29.616 29.761 -0.145 2
1 162 . 1 1 A 13 13 ARG N N 13 122.104 121.990 0.114 2
1 164 . 1 1 A 14 14 LEU H H 14 8.308 8.286 0.022 2
1 165 . 1 1 A 14 14 LEU HA H 14 4.219 4.367 -0.148 2
1 175 . 1 1 A 14 14 LEU C C 14 178.590 178.772 -0.182 2
1 176 . 1 1 A 14 14 LEU CA C 14 57.904 58.177 -0.273 2
1 177 . 1 1 A 14 14 LEU CB C 14 42.627 42.083 0.544 2
1 181 . 1 1 A 14 14 LEU N N 14 119.549 121.511 -1.962 2
1 182 . 1 1 A 15 15 GLU H H 15 7.824 8.325 -0.501 2
1 183 . 1 1 A 15 15 GLU HA H 15 3.998 4.113 -0.115 2
1 188 . 1 1 A 15 15 GLU C C 15 177.805 178.254 -0.449 2
1 189 . 1 1 A 15 15 GLU CA C 15 58.219 58.946 -0.727 2
1 190 . 1 1 A 15 15 GLU CB C 15 29.865 30.338 -0.473 2
1 192 . 1 1 A 15 15 GLU N N 15 116.921 117.986 -1.065 2
1 193 . 1 1 A 16 16 TRP H H 16 7.905 8.378 -0.473 2
1 194 . 1 1 A 16 16 TRP HA H 16 4.895 4.695 0.200 2
1 203 . 1 1 A 16 16 TRP C C 16 176.778 177.343 -0.565 2
1 204 . 1 1 A 16 16 TRP CA C 16 57.033 59.010 -1.977 2
1 205 . 1 1 A 16 16 TRP CB C 16 30.513 30.770 -0.256 2
1 211 . 1 1 A 16 16 TRP N N 16 116.589 118.652 -2.063 2
1 213 . 1 1 A 17 17 GLY H H 17 8.007 8.070 -0.063 2
1 214 . 1 1 A 17 17 GLY HA2 H 17 3.979 4.106 -0.127 2
1 215 . 1 1 A 17 17 GLY HA3 H 17 4.200 4.124 0.076 2
1 216 . 1 1 A 17 17 GLY C C 17 173.650 173.452 0.198 2
1 217 . 1 1 A 17 17 GLY CA C 17 44.786 44.736 0.050 2
1 218 . 1 1 A 17 17 GLY N N 17 108.398 107.946 0.452 2
1 219 . 1 1 A 18 18 GLU H H 18 8.483 8.396 0.087 2
1 220 . 1 1 A 18 18 GLU HA H 18 4.534 4.863 -0.329 2
1 225 . 1 1 A 18 18 GLU C C 18 176.535 175.518 1.017 2
1 226 . 1 1 A 18 18 GLU CA C 18 54.615 53.585 1.030 2
1 227 . 1 1 A 18 18 GLU CB C 18 29.654 31.693 -2.039 2
1 229 . 1 1 A 18 18 GLU N N 18 121.984 121.134 0.850 2
1 230 . 1 1 A 19 19 PRO HA H 19 4.549 3.991 0.558 2
1 237 . 1 1 A 19 19 PRO C C 19 176.737 176.316 0.421 2
1 238 . 1 1 A 19 19 PRO CA C 19 63.685 63.400 0.285 2
1 239 . 1 1 A 19 19 PRO CB C 19 30.940 30.897 0.043 2
1 242 . 1 1 A 20 20 ALA H H 20 8.386 8.129 0.257 2
1 243 . 1 1 A 20 20 ALA HA H 20 4.536 4.319 0.217 2
1 247 . 1 1 A 20 20 ALA C C 20 174.844 176.706 -1.862 2
1 248 . 1 1 A 20 20 ALA CA C 20 51.312 52.540 -1.228 2
1 249 . 1 1 A 20 20 ALA CB C 20 17.883 18.955 -1.072 2
1 250 . 1 1 A 20 20 ALA N N 20 126.537 122.233 4.304 2
1 251 . 1 1 A 21 21 PHE H H 21 7.244 7.178 0.066 2
1 252 . 1 1 A 21 21 PHE HA H 21 5.485 5.358 0.127 2
1 260 . 1 1 A 21 21 PHE C C 21 173.639 173.818 -0.179 2
1 261 . 1 1 A 21 21 PHE CA C 21 55.312 55.470 -0.158 2
1 262 . 1 1 A 21 21 PHE CB C 21 41.581 42.152 -0.571 2
1 268 . 1 1 A 21 21 PHE N N 21 115.447 114.947 0.500 2
1 269 . 1 1 A 22 22 THR H H 22 9.203 9.044 0.159 2
1 270 . 1 1 A 22 22 THR HA H 22 4.583 5.083 -0.500 2
1 275 . 1 1 A 22 22 THR C C 22 171.987 173.525 -1.538 2
1 276 . 1 1 A 22 22 THR CA C 22 62.368 61.421 0.947 2
1 277 . 1 1 A 22 22 THR CB C 22 72.961 70.888 2.073 2
1 279 . 1 1 A 22 22 THR N N 22 119.035 115.177 3.858 2
1 280 . 1 1 A 23 23 ILE H H 23 9.318 9.323 -0.005 2
1 281 . 1 1 A 23 23 ILE HA H 23 5.172 5.322 -0.150 2
1 291 . 1 1 A 23 23 ILE C C 23 173.969 175.277 -1.308 2
1 292 . 1 1 A 23 23 ILE CA C 23 59.958 60.199 -0.241 2
1 293 . 1 1 A 23 23 ILE CB C 23 40.273 39.249 1.024 2
1 297 . 1 1 A 23 23 ILE N N 23 127.452 128.711 -1.259 2
1 298 . 1 1 A 24 24 LEU H H 24 9.522 9.409 0.113 2
1 299 . 1 1 A 24 24 LEU HA H 24 4.871 5.077 -0.206 2
1 309 . 1 1 A 24 24 LEU C C 24 172.823 175.037 -2.214 2
1 310 . 1 1 A 24 24 LEU CA C 24 53.100 53.171 -0.071 2
1 311 . 1 1 A 24 24 LEU CB C 24 44.522 43.902 0.620 2
1 315 . 1 1 A 24 24 LEU N N 24 127.148 127.866 -0.718 2
1 316 . 1 1 A 25 25 ASP H H 25 8.325 8.819 -0.494 2
1 317 . 1 1 A 25 25 ASP HA H 25 4.112 4.212 -0.099 2
1 320 . 1 1 A 25 25 ASP C C 25 177.457 176.812 0.645 2
1 321 . 1 1 A 25 25 ASP CA C 25 51.097 52.937 -1.839 2
1 322 . 1 1 A 25 25 ASP CB C 25 43.056 40.635 2.421 2
1 323 . 1 1 A 25 25 ASP N N 25 122.856 124.336 -1.480 2
1 324 . 1 1 A 26 26 VAL H H 26 7.924 7.892 0.032 2
1 325 . 1 1 A 26 26 VAL HA H 26 4.964 4.570 0.394 2
1 333 . 1 1 A 26 26 VAL C C 26 176.585 176.848 -0.263 2
1 334 . 1 1 A 26 26 VAL CA C 26 59.554 61.636 -2.083 2
1 335 . 1 1 A 26 26 VAL CB C 26 30.002 31.829 -1.827 2
1 338 . 1 1 A 26 26 VAL N N 26 117.391 120.118 -2.727 2
1 339 . 1 1 A 27 27 ARG H H 27 7.773 7.473 0.300 2
1 340 . 1 1 A 27 27 ARG HA H 27 4.418 4.159 0.259 2
1 352 . 1 1 A 27 27 ARG C C 27 173.931 175.900 -1.969 2
1 353 . 1 1 A 27 27 ARG CA C 27 55.487 58.297 -2.810 2
1 354 . 1 1 A 27 27 ARG CB C 27 30.337 30.742 -0.405 2
1 357 . 1 1 A 27 27 ARG N N 27 121.126 120.916 0.210 2
1 361 . 1 1 A 28 28 ASP H H 28 7.792 7.726 0.066 2
1 362 . 1 1 A 28 28 ASP HA H 28 4.431 4.793 -0.362 2
1 365 . 1 1 A 28 28 ASP C C 28 176.402 175.845 0.557 2
1 366 . 1 1 A 28 28 ASP CA C 28 54.427 53.776 0.651 2
1 367 . 1 1 A 28 28 ASP CB C 28 41.498 43.914 -2.416 2
1 368 . 1 1 A 28 28 ASP N N 28 115.368 114.930 0.438 2
1 369 . 1 1 A 29 29 ARG H H 29 8.781 8.726 0.055 2
1 370 . 1 1 A 29 29 ARG HA H 29 3.853 3.931 -0.078 2
1 378 . 1 1 A 29 29 ARG C C 29 177.811 177.735 0.076 2
1 379 . 1 1 A 29 29 ARG CA C 29 58.920 59.576 -0.656 2
1 380 . 1 1 A 29 29 ARG CB C 29 29.762 29.987 -0.225 2
1 383 . 1 1 A 29 29 ARG N N 29 121.538 125.483 -3.945 2
1 385 . 1 1 A 30 30 SER H H 30 8.478 8.232 0.246 2
1 386 . 1 1 A 30 30 SER HA H 30 4.190 4.233 -0.043 2
1 389 . 1 1 A 30 30 SER C C 30 176.814 177.042 -0.228 2
1 390 . 1 1 A 30 30 SER CA C 30 61.929 61.594 0.335 2
1 391 . 1 1 A 30 30 SER CB C 30 62.051 62.669 -0.618 2
1 392 . 1 1 A 30 30 SER N N 30 113.937 115.651 -1.714 2
1 393 . 1 1 A 31 31 THR H H 31 7.724 7.934 -0.210 2
1 394 . 1 1 A 31 31 THR HA H 31 4.096 4.015 0.081 2
1 399 . 1 1 A 31 31 THR C C 31 176.940 176.067 0.873 2
1 400 . 1 1 A 31 31 THR CA C 31 66.078 66.523 -0.445 2
1 401 . 1 1 A 31 31 THR CB C 31 67.583 68.549 -0.966 2
1 403 . 1 1 A 31 31 THR N N 31 120.025 117.274 2.751 2
1 404 . 1 1 A 32 32 TYR H H 32 8.186 8.535 -0.349 2
1 405 . 1 1 A 32 32 TYR HA H 32 4.009 4.176 -0.167 2
1 410 . 1 1 A 32 32 TYR C C 32 180.166 177.514 2.652 2
1 411 . 1 1 A 32 32 TYR CA C 32 61.797 62.291 -0.494 2
1 412 . 1 1 A 32 32 TYR CB C 32 37.300 38.607 -1.307 2
1 415 . 1 1 A 32 32 TYR N N 32 123.636 122.447 1.189 2
1 416 . 1 1 A 33 33 ASN H H 33 8.838 8.131 0.707 2
1 417 . 1 1 A 33 33 ASN HA H 33 4.435 4.306 0.129 2
1 422 . 1 1 A 33 33 ASN C C 33 176.730 177.796 -1.066 2
1 423 . 1 1 A 33 33 ASN CA C 33 55.167 56.307 -1.140 2
1 424 . 1 1 A 33 33 ASN CB C 33 37.308 37.752 -0.445 2
1 425 . 1 1 A 33 33 ASN N N 33 122.000 118.182 3.818 2
1 427 . 1 1 A 34 34 ASP H H 34 7.510 8.129 -0.619 2
1 428 . 1 1 A 34 34 ASP HA H 34 4.587 4.429 0.158 2
1 431 . 1 1 A 34 34 ASP C C 34 177.045 176.698 0.347 2
1 432 . 1 1 A 34 34 ASP CA C 34 56.487 56.646 -0.159 2
1 433 . 1 1 A 34 34 ASP CB C 34 40.822 41.293 -0.471 2
1 434 . 1 1 A 34 34 ASP N N 34 119.832 117.961 1.871 2
1 435 . 1 1 A 35 35 GLY H H 35 7.412 7.464 -0.052 2
1 436 . 1 1 A 35 35 GLY HA2 H 35 3.997 4.016 -0.019 2
1 437 . 1 1 A 35 35 GLY HA3 H 35 3.997 4.075 -0.078 2
1 438 . 1 1 A 35 35 GLY C C 35 171.246 171.700 -0.454 2
1 439 . 1 1 A 35 35 GLY CA C 35 46.441 45.772 0.669 2
1 440 . 1 1 A 35 35 GLY N N 35 106.611 104.089 2.522 2
1 441 . 1 1 A 36 36 HIS H H 36 8.441 8.946 -0.505 2
1 442 . 1 1 A 36 36 HIS HA H 36 4.782 5.485 -0.703 2
1 447 . 1 1 A 36 36 HIS C C 36 172.800 173.673 -0.873 2
1 448 . 1 1 A 36 36 HIS CA C 36 53.425 53.777 -0.352 2
1 449 . 1 1 A 36 36 HIS CB C 36 31.978 32.194 -0.216 2
1 452 . 1 1 A 36 36 HIS N N 36 117.929 119.292 -1.363 2
1 455 . 1 1 A 37 37 ILE H H 37 8.087 8.855 -0.768 2
1 456 . 1 1 A 37 37 ILE HA H 37 3.223 3.654 -0.431 2
1 466 . 1 1 A 37 37 ILE C C 37 175.423 176.269 -0.847 2
1 467 . 1 1 A 37 37 ILE CA C 37 64.607 61.923 2.684 2
1 468 . 1 1 A 37 37 ILE CB C 37 37.269 37.546 -0.277 2
1 472 . 1 1 A 37 37 ILE N N 37 120.831 121.179 -0.348 2
1 473 . 1 1 A 38 38 MET H H 38 7.625 8.473 -0.848 2
1 474 . 1 1 A 38 38 MET HA H 38 3.953 4.375 -0.422 2
1 482 . 1 1 A 38 38 MET C C 38 174.632 177.091 -2.459 2
1 483 . 1 1 A 38 38 MET CA C 38 57.865 56.964 0.901 2
1 484 . 1 1 A 38 38 MET CB C 38 32.882 32.215 0.667 2
1 487 . 1 1 A 38 38 MET N N 38 128.683 125.974 2.710 2
1 488 . 1 1 A 39 39 GLY H H 39 8.795 8.881 -0.086 2
1 489 . 1 1 A 39 39 GLY HA2 H 39 3.727 3.956 -0.229 2
1 490 . 1 1 A 39 39 GLY HA3 H 39 4.345 3.981 0.364 2
1 491 . 1 1 A 39 39 GLY C C 39 175.442 174.699 0.743 2
1 492 . 1 1 A 39 39 GLY CA C 39 44.964 45.600 -0.636 2
1 493 . 1 1 A 39 39 GLY N N 39 113.814 114.264 -0.450 2
1 494 . 1 1 A 40 40 ALA H H 40 8.566 8.065 0.501 2
1 495 . 1 1 A 40 40 ALA HA H 40 4.656 4.589 0.067 2
1 499 . 1 1 A 40 40 ALA C C 40 177.459 176.830 0.629 2
1 500 . 1 1 A 40 40 ALA CA C 40 52.139 52.066 0.073 2
1 501 . 1 1 A 40 40 ALA CB C 40 20.657 20.631 0.026 2
1 502 . 1 1 A 40 40 ALA N N 40 122.444 123.869 -1.425 2
1 503 . 1 1 A 41 41 MET H H 41 9.268 8.964 0.304 2
1 504 . 1 1 A 41 41 MET HA H 41 4.478 4.923 -0.445 2
1 512 . 1 1 A 41 41 MET C C 41 174.328 175.330 -1.002 2
1 513 . 1 1 A 41 41 MET CA C 41 54.330 53.903 0.427 2
1 514 . 1 1 A 41 41 MET CB C 41 34.473 33.874 0.599 2
1 517 . 1 1 A 41 41 MET N N 41 123.908 119.388 4.520 2
1 518 . 1 1 A 42 42 ALA H H 42 8.162 8.330 -0.168 2
1 519 . 1 1 A 42 42 ALA HA H 42 3.870 3.742 0.128 2
1 523 . 1 1 A 42 42 ALA C C 42 177.157 176.180 0.977 2
1 524 . 1 1 A 42 42 ALA CA C 42 51.888 51.185 0.703 2
1 525 . 1 1 A 42 42 ALA CB C 42 16.282 17.619 -1.337 2
1 526 . 1 1 A 42 42 ALA N N 42 126.936 124.989 1.947 2
1 527 . 1 1 A 43 43 MET H H 43 8.109 8.053 0.056 2
1 528 . 1 1 A 43 43 MET HA H 43 4.386 4.901 -0.514 2
1 536 . 1 1 A 43 43 MET C C 43 168.952 173.753 -4.801 2
1 537 . 1 1 A 43 43 MET CA C 43 53.535 52.667 0.868 2
1 538 . 1 1 A 43 43 MET CB C 43 34.346 33.053 1.293 2
1 541 . 1 1 A 43 43 MET N N 43 125.282 122.333 2.949 2
1 542 . 1 1 A 44 44 PRO HA H 44 3.949 4.588 -0.639 2
1 549 . 1 1 A 44 44 PRO C C 44 179.070 177.921 1.149 2
1 550 . 1 1 A 44 44 PRO CA C 44 62.524 62.773 -0.249 2
1 551 . 1 1 A 44 44 PRO CB C 44 32.611 32.300 0.311 2
1 554 . 1 1 A 45 45 ILE H H 45 7.764 8.641 -0.877 2
1 555 . 1 1 A 45 45 ILE HA H 45 3.851 3.909 -0.058 2
1 565 . 1 1 A 45 45 ILE C C 45 175.827 177.533 -1.706 2
1 566 . 1 1 A 45 45 ILE CA C 45 64.676 63.501 1.175 2
1 567 . 1 1 A 45 45 ILE CB C 45 38.991 37.934 1.056 2
1 571 . 1 1 A 45 45 ILE N N 45 121.655 125.026 -3.371 2
1 572 . 1 1 A 46 46 GLU H H 46 9.102 8.505 0.597 2
1 573 . 1 1 A 46 46 GLU HA H 46 4.056 4.051 0.005 2
1 578 . 1 1 A 46 46 GLU C C 46 176.499 177.592 -1.093 2
1 579 . 1 1 A 46 46 GLU CA C 46 59.349 59.290 0.059 2
1 580 . 1 1 A 46 46 GLU CB C 46 28.456 29.396 -0.940 2
1 582 . 1 1 A 46 46 GLU N N 46 121.004 120.654 0.350 2
1 583 . 1 1 A 47 47 ASP H H 47 7.729 7.833 -0.104 2
1 584 . 1 1 A 47 47 ASP HA H 47 5.059 4.675 0.384 2
1 587 . 1 1 A 47 47 ASP C C 47 175.683 177.101 -1.418 2
1 588 . 1 1 A 47 47 ASP CA C 47 53.266 54.525 -1.259 2
1 589 . 1 1 A 47 47 ASP CB C 47 42.048 41.267 0.781 2
1 590 . 1 1 A 47 47 ASP N N 47 117.171 119.112 -1.941 2
1 591 . 1 1 A 48 48 LEU H H 48 7.193 7.685 -0.492 2
1 592 . 1 1 A 48 48 LEU HA H 48 3.690 3.878 -0.188 2
1 602 . 1 1 A 48 48 LEU C C 48 176.829 178.342 -1.513 2
1 603 . 1 1 A 48 48 LEU CA C 48 58.905 58.821 0.084 2
1 604 . 1 1 A 48 48 LEU CB C 48 43.334 41.819 1.515 2
1 608 . 1 1 A 48 48 LEU N N 48 121.314 121.278 0.036 2
1 609 . 1 1 A 49 49 VAL H H 49 8.507 8.002 0.505 2
1 610 . 1 1 A 49 49 VAL HA H 49 3.290 3.513 -0.223 2
1 618 . 1 1 A 49 49 VAL C C 49 178.915 177.543 1.372 2
1 619 . 1 1 A 49 49 VAL CA C 49 67.886 66.991 0.895 2
1 620 . 1 1 A 49 49 VAL CB C 49 30.881 31.663 -0.782 2
1 623 . 1 1 A 49 49 VAL N N 49 116.698 119.299 -2.601 2
1 624 . 1 1 A 50 50 ASP H H 50 8.474 8.266 0.208 2
1 625 . 1 1 A 50 50 ASP HA H 50 4.396 4.343 0.053 2
1 628 . 1 1 A 50 50 ASP C C 50 178.890 178.899 -0.009 2
1 629 . 1 1 A 50 50 ASP CA C 50 57.477 57.495 -0.018 2
1 630 . 1 1 A 50 50 ASP CB C 50 40.945 40.732 0.213 2
1 631 . 1 1 A 50 50 ASP N N 50 121.526 119.701 1.825 2
1 632 . 1 1 A 51 51 ARG H H 51 8.334 8.242 0.092 2
1 633 . 1 1 A 51 51 ARG HA H 51 4.079 3.998 0.081 2
1 641 . 1 1 A 51 51 ARG C C 51 179.634 178.812 0.822 2
1 642 . 1 1 A 51 51 ARG CA C 51 58.378 59.449 -1.071 2
1 643 . 1 1 A 51 51 ARG CB C 51 29.692 30.244 -0.552 2
1 646 . 1 1 A 51 51 ARG N N 51 118.666 119.013 -0.347 2
1 648 . 1 1 A 52 52 ALA H H 52 9.250 8.171 1.079 2
1 649 . 1 1 A 52 52 ALA HA H 52 3.752 4.130 -0.378 2
1 653 . 1 1 A 52 52 ALA C C 52 179.710 179.762 -0.052 2
1 654 . 1 1 A 52 52 ALA CA C 52 55.830 55.194 0.636 2
1 655 . 1 1 A 52 52 ALA CB C 52 18.164 18.173 -0.009 2
1 656 . 1 1 A 52 52 ALA N N 52 124.004 121.950 2.054 2
1 657 . 1 1 A 53 53 SER H H 53 8.392 8.357 0.035 2
1 658 . 1 1 A 53 53 SER HA H 53 4.457 4.288 0.169 2
1 661 . 1 1 A 53 53 SER C C 53 175.807 176.646 -0.839 2
1 662 . 1 1 A 53 53 SER CA C 53 62.214 61.381 0.833 2
1 663 . 1 1 A 53 53 SER CB C 53 62.805 63.186 -0.381 2
1 664 . 1 1 A 53 53 SER N N 53 111.154 113.632 -2.478 2
1 665 . 1 1 A 54 54 SER H H 54 7.570 7.792 -0.222 2
1 666 . 1 1 A 54 54 SER HA H 54 4.512 4.338 0.174 2
1 669 . 1 1 A 54 54 SER C C 54 175.210 175.796 -0.586 2
1 670 . 1 1 A 54 54 SER CA C 54 59.567 60.632 -1.065 2
1 671 . 1 1 A 54 54 SER CB C 54 63.902 63.225 0.677 2
1 672 . 1 1 A 54 54 SER N N 54 112.745 115.845 -3.100 2
1 673 . 1 1 A 55 55 SER H H 55 7.501 7.915 -0.414 2
1 674 . 1 1 A 55 55 SER HA H 55 4.744 4.632 0.112 2
1 677 . 1 1 A 55 55 SER C C 55 173.106 173.777 -0.671 2
1 678 . 1 1 A 55 55 SER CA C 55 59.905 59.125 0.780 2
1 679 . 1 1 A 55 55 SER CB C 55 65.881 64.812 1.069 2
1 680 . 1 1 A 55 55 SER N N 55 113.238 114.533 -1.295 2
1 681 . 1 1 A 56 56 LEU H H 56 8.320 7.971 0.349 2
1 682 . 1 1 A 56 56 LEU HA H 56 4.823 4.747 0.076 2
1 692 . 1 1 A 56 56 LEU C C 56 175.441 176.098 -0.657 2
1 693 . 1 1 A 56 56 LEU CA C 56 53.476 53.874 -0.398 2
1 694 . 1 1 A 56 56 LEU CB C 56 44.655 44.669 -0.014 2
1 698 . 1 1 A 56 56 LEU N N 56 122.043 120.676 1.367 2
1 699 . 1 1 A 57 57 GLU H H 57 8.510 8.857 -0.347 2
1 700 . 1 1 A 57 57 GLU HA H 57 4.334 4.586 -0.252 2
1 705 . 1 1 A 57 57 GLU C C 57 177.869 177.257 0.612 2
1 706 . 1 1 A 57 57 GLU CA C 57 55.911 55.462 0.449 2
1 707 . 1 1 A 57 57 GLU CB C 57 30.193 31.467 -1.274 2
1 709 . 1 1 A 57 57 GLU N N 57 121.479 121.635 -0.155 2
1 710 . 1 1 A 58 58 LYS H H 58 8.513 8.765 -0.252 2
1 711 . 1 1 A 58 58 LYS HA H 58 3.811 3.956 -0.145 2
1 720 . 1 1 A 58 58 LYS C C 58 178.345 177.764 0.581 2
1 721 . 1 1 A 58 58 LYS CA C 58 58.526 58.341 0.185 2
1 722 . 1 1 A 58 58 LYS CB C 58 31.265 32.235 -0.970 2
1 726 . 1 1 A 58 58 LYS N N 58 120.689 124.561 -3.872 2
1 727 . 1 1 A 59 59 SER H H 59 7.912 7.639 0.273 2
1 728 . 1 1 A 59 59 SER HA H 59 4.437 4.428 0.009 2
1 731 . 1 1 A 59 59 SER C C 59 174.216 174.443 -0.227 2
1 732 . 1 1 A 59 59 SER CA C 59 57.862 58.712 -0.850 2
1 733 . 1 1 A 59 59 SER CB C 59 63.682 63.707 -0.025 2
1 734 . 1 1 A 59 59 SER N N 59 111.530 112.576 -1.046 2
1 735 . 1 1 A 60 60 ARG H H 60 7.477 7.652 -0.175 2
1 736 . 1 1 A 60 60 ARG HA H 60 4.199 4.198 0.001 2
1 744 . 1 1 A 60 60 ARG C C 60 174.880 175.841 -0.961 2
1 745 . 1 1 A 60 60 ARG CA C 60 55.828 56.233 -0.405 2
1 746 . 1 1 A 60 60 ARG CB C 60 31.971 30.621 1.350 2
1 749 . 1 1 A 60 60 ARG N N 60 125.535 122.865 2.670 2
1 751 . 1 1 A 61 61 ASP H H 61 8.540 8.561 -0.021 2
1 752 . 1 1 A 61 61 ASP HA H 61 4.903 4.848 0.054 2
1 755 . 1 1 A 61 61 ASP C C 61 175.569 175.641 -0.072 2
1 756 . 1 1 A 61 61 ASP CA C 61 55.438 54.409 1.029 2
1 757 . 1 1 A 61 61 ASP CB C 61 40.847 40.417 0.430 2
1 758 . 1 1 A 61 61 ASP N N 61 126.761 125.272 1.489 2
1 759 . 1 1 A 62 62 ILE H H 62 8.630 9.056 -0.426 2
1 760 . 1 1 A 62 62 ILE HA H 62 5.038 5.064 -0.026 2
1 770 . 1 1 A 62 62 ILE C C 62 174.444 174.394 0.050 2
1 771 . 1 1 A 62 62 ILE CA C 62 59.799 60.504 -0.705 2
1 772 . 1 1 A 62 62 ILE CB C 62 42.130 39.578 2.552 2
1 776 . 1 1 A 62 62 ILE N N 62 125.212 125.205 0.007 2
1 777 . 1 1 A 63 63 TYR H H 63 9.026 9.400 -0.374 2
1 778 . 1 1 A 63 63 TYR HA H 63 5.230 5.332 -0.102 2
1 785 . 1 1 A 63 63 TYR C C 63 175.088 174.536 0.552 2
1 786 . 1 1 A 63 63 TYR CA C 63 56.143 56.823 -0.680 2
1 787 . 1 1 A 63 63 TYR CB C 63 41.302 40.248 1.054 2
1 792 . 1 1 A 63 63 TYR N N 63 125.467 127.121 -1.654 2
1 793 . 1 1 A 64 64 VAL H H 64 8.523 9.097 -0.574 2
1 794 . 1 1 A 64 64 VAL HA H 64 5.106 4.835 0.271 2
1 802 . 1 1 A 64 64 VAL C C 64 174.072 175.123 -1.051 2
1 803 . 1 1 A 64 64 VAL CA C 64 60.302 61.605 -1.303 2
1 804 . 1 1 A 64 64 VAL CB C 64 35.121 33.223 1.898 2
1 807 . 1 1 A 64 64 VAL N N 64 121.014 123.600 -2.586 2
1 808 . 1 1 A 65 65 TYR H H 65 8.832 8.954 -0.122 2
1 809 . 1 1 A 65 65 TYR HA H 65 5.289 5.755 -0.466 2
1 816 . 1 1 A 65 65 TYR C C 65 172.116 173.605 -1.489 2
1 817 . 1 1 A 65 65 TYR CA C 65 56.777 55.133 1.644 2
1 818 . 1 1 A 65 65 TYR CB C 65 42.528 41.880 0.648 2
1 819 . 1 1 A 65 65 TYR N N 65 120.331 122.971 -2.640 2
1 820 . 1 1 A 66 66 GLY H H 66 8.278 9.057 -0.779 2
1 821 . 1 1 A 66 66 GLY HA2 H 66 3.449 4.088 -0.639 2
1 822 . 1 1 A 66 66 GLY HA3 H 66 4.408 4.188 0.220 2
1 823 . 1 1 A 66 66 GLY C C 66 173.636 174.735 -1.099 2
1 824 . 1 1 A 66 66 GLY CA C 66 43.793 43.892 -0.099 2
1 825 . 1 1 A 66 66 GLY N N 66 108.458 109.062 -0.604 2
1 826 . 1 1 A 67 67 ALA H H 67 9.485 8.753 0.732 2
1 827 . 1 1 A 67 67 ALA HA H 67 4.331 4.199 0.132 2
1 831 . 1 1 A 67 67 ALA C C 67 176.363 177.320 -0.957 2
1 832 . 1 1 A 67 67 ALA CA C 67 52.848 54.166 -1.318 2
1 833 . 1 1 A 67 67 ALA CB C 67 18.178 19.594 -1.416 2
1 834 . 1 1 A 67 67 ALA N N 67 126.325 121.526 4.799 2
1 835 . 1 1 A 68 68 GLY H H 68 7.553 7.778 -0.225 2
1 836 . 1 1 A 68 68 GLY HA2 H 68 4.270 4.114 0.156 2
1 837 . 1 1 A 68 68 GLY HA3 H 68 4.209 4.124 0.085 2
1 838 . 1 1 A 68 68 GLY C C 68 173.695 174.695 -1.000 2
1 839 . 1 1 A 68 68 GLY CA C 68 44.112 44.406 -0.293 2
1 840 . 1 1 A 68 68 GLY N N 68 106.057 105.231 0.826 2
1 841 . 1 1 A 69 69 ASP H H 69 8.904 9.134 -0.230 2
1 842 . 1 1 A 69 69 ASP HA H 69 4.408 4.319 0.089 2
1 845 . 1 1 A 69 69 ASP C C 69 178.531 178.235 0.296 2
1 846 . 1 1 A 69 69 ASP CA C 69 57.592 57.265 0.327 2
1 847 . 1 1 A 69 69 ASP CB C 69 40.198 40.402 -0.204 2
1 848 . 1 1 A 69 69 ASP N N 69 121.078 120.534 0.544 2
1 849 . 1 1 A 70 70 GLU H H 70 8.905 8.342 0.562 2
1 850 . 1 1 A 70 70 GLU HA H 70 4.110 4.007 0.103 2
1 855 . 1 1 A 70 70 GLU C C 70 178.745 178.856 -0.111 2
1 856 . 1 1 A 70 70 GLU CA C 70 59.956 59.667 0.289 2
1 857 . 1 1 A 70 70 GLU CB C 70 28.534 29.161 -0.627 2
1 859 . 1 1 A 70 70 GLU N N 70 120.998 119.679 1.319 2
1 860 . 1 1 A 71 71 GLN H H 71 8.453 7.811 0.642 2
1 861 . 1 1 A 71 71 GLN HA H 71 4.106 4.067 0.039 2
1 868 . 1 1 A 71 71 GLN C C 71 178.164 178.450 -0.286 2
1 869 . 1 1 A 71 71 GLN CA C 71 59.350 58.552 0.798 2
1 870 . 1 1 A 71 71 GLN CB C 71 29.682 28.292 1.390 2
1 872 . 1 1 A 71 71 GLN N N 71 121.273 118.858 2.415 2
1 874 . 1 1 A 72 72 THR H H 72 8.267 8.085 0.182 2
1 875 . 1 1 A 72 72 THR HA H 72 3.524 3.894 -0.370 2
1 880 . 1 1 A 72 72 THR C C 72 175.546 176.418 -0.873 2
1 881 . 1 1 A 72 72 THR CA C 72 67.395 66.315 1.080 2
1 882 . 1 1 A 72 72 THR CB C 72 68.145 68.656 -0.511 2
1 884 . 1 1 A 72 72 THR N N 72 115.641 116.710 -1.069 2
1 885 . 1 1 A 73 73 SER H H 73 8.265 8.291 -0.026 2
1 886 . 1 1 A 73 73 SER HA H 73 4.029 4.102 -0.073 2
1 889 . 1 1 A 73 73 SER C C 73 176.825 176.984 -0.159 2
1 890 . 1 1 A 73 73 SER CA C 73 61.746 61.518 0.228 2
1 891 . 1 1 A 73 73 SER CB C 73 62.746 62.922 -0.176 2
1 892 . 1 1 A 73 73 SER N N 73 115.814 115.752 0.062 2
1 893 . 1 1 A 74 74 GLN H H 74 8.119 8.056 0.063 2
1 894 . 1 1 A 74 74 GLN HA H 74 4.090 4.027 0.063 2
1 901 . 1 1 A 74 74 GLN C C 74 178.630 177.892 0.738 2
1 902 . 1 1 A 74 74 GLN CA C 74 58.903 58.387 0.516 2
1 903 . 1 1 A 74 74 GLN CB C 74 27.943 28.814 -0.871 2
1 905 . 1 1 A 74 74 GLN N N 74 121.446 120.445 1.001 2
1 907 . 1 1 A 75 75 ALA H H 75 8.210 7.871 0.339 2
1 908 . 1 1 A 75 75 ALA HA H 75 3.879 4.032 -0.153 2
1 912 . 1 1 A 75 75 ALA C C 75 178.843 179.802 -0.959 2
1 913 . 1 1 A 75 75 ALA CA C 75 54.959 55.151 -0.192 2
1 914 . 1 1 A 75 75 ALA CB C 75 20.226 18.354 1.873 2
1 915 . 1 1 A 75 75 ALA N N 75 121.007 121.988 -0.981 2
1 916 . 1 1 A 76 76 VAL H H 76 8.257 8.071 0.186 2
1 917 . 1 1 A 76 76 VAL HA H 76 3.472 3.446 0.026 2
1 925 . 1 1 A 76 76 VAL C C 76 177.639 177.981 -0.342 2
1 926 . 1 1 A 76 76 VAL CA C 76 67.080 66.835 0.245 2
1 927 . 1 1 A 76 76 VAL CB C 76 30.945 31.497 -0.552 2
1 930 . 1 1 A 76 76 VAL N N 76 116.281 118.848 -2.567 2
1 931 . 1 1 A 77 77 ASN H H 77 8.190 8.221 -0.031 2
1 932 . 1 1 A 77 77 ASN HA H 77 4.430 4.383 0.047 2
1 937 . 1 1 A 77 77 ASN C C 77 178.638 177.862 0.776 2
1 938 . 1 1 A 77 77 ASN CA C 77 56.666 56.743 -0.077 2
1 939 . 1 1 A 77 77 ASN CB C 77 37.950 39.314 -1.364 2
1 940 . 1 1 A 77 77 ASN N N 77 118.786 118.791 -0.005 2
1 942 . 1 1 A 78 78 LEU H H 78 8.222 8.078 0.144 2
1 943 . 1 1 A 78 78 LEU HA H 78 4.045 4.030 0.015 2
1 953 . 1 1 A 78 78 LEU C C 78 180.246 179.648 0.598 2
1 954 . 1 1 A 78 78 LEU CA C 78 57.926 58.228 -0.302 2
1 955 . 1 1 A 78 78 LEU CB C 78 41.892 41.487 0.405 2
1 959 . 1 1 A 78 78 LEU N N 78 121.759 119.934 1.825 2
1 960 . 1 1 A 79 79 LEU H H 79 7.887 8.069 -0.182 2
1 961 . 1 1 A 79 79 LEU HA H 79 4.051 3.911 0.140 2
1 971 . 1 1 A 79 79 LEU C C 79 179.804 179.594 0.210 2
1 972 . 1 1 A 79 79 LEU CA C 79 57.788 58.110 -0.322 2
1 973 . 1 1 A 79 79 LEU CB C 79 41.616 41.208 0.408 2
1 977 . 1 1 A 79 79 LEU N N 79 118.127 119.309 -1.182 2
1 978 . 1 1 A 80 80 ARG H H 80 8.942 8.310 0.632 2
1 979 . 1 1 A 80 80 ARG HA H 80 4.516 4.420 0.096 2
1 987 . 1 1 A 80 80 ARG C C 80 181.546 178.525 3.021 2
1 988 . 1 1 A 80 80 ARG CA C 80 60.006 58.675 1.331 2
1 989 . 1 1 A 80 80 ARG CB C 80 29.510 29.885 -0.375 2
1 992 . 1 1 A 80 80 ARG N N 80 120.974 118.900 2.074 2
1 994 . 1 1 A 81 81 SER H H 81 8.394 8.275 0.119 2
1 995 . 1 1 A 81 81 SER HA H 81 4.307 4.160 0.147 2
1 998 . 1 1 A 81 81 SER C C 81 174.601 176.400 -1.799 2
1 999 . 1 1 A 81 81 SER CA C 81 61.570 61.417 0.153 2
1 1000 . 1 1 A 81 81 SER CB C 81 62.832 63.106 -0.274 2
1 1001 . 1 1 A 81 81 SER N N 81 116.329 115.291 1.038 2
1 1002 . 1 1 A 82 82 ALA H H 82 7.507 7.534 -0.027 2
1 1003 . 1 1 A 82 82 ALA HA H 82 4.546 4.402 0.144 2
1 1007 . 1 1 A 82 82 ALA C C 82 176.449 177.882 -1.433 2
1 1008 . 1 1 A 82 82 ALA CA C 82 51.759 52.092 -0.332 2
1 1009 . 1 1 A 82 82 ALA CB C 82 18.850 19.299 -0.449 2
1 1010 . 1 1 A 82 82 ALA N N 82 122.576 119.680 2.896 2
1 1011 . 1 1 A 83 83 GLY H H 83 7.678 7.990 -0.312 2
1 1012 . 1 1 A 83 83 GLY HA2 H 83 3.623 3.880 -0.257 2
1 1013 . 1 1 A 83 83 GLY HA3 H 83 4.217 3.951 0.266 2
1 1014 . 1 1 A 83 83 GLY C C 83 174.557 174.639 -0.082 2
1 1015 . 1 1 A 83 83 GLY CA C 83 44.741 45.129 -0.388 2
1 1016 . 1 1 A 83 83 GLY N N 83 104.117 106.928 -2.811 2
1 1017 . 1 1 A 84 84 PHE H H 84 7.923 7.806 0.117 2
1 1018 . 1 1 A 84 84 PHE HA H 84 4.254 4.412 -0.158 2
1 1026 . 1 1 A 84 84 PHE C C 84 176.479 176.015 0.464 2
1 1027 . 1 1 A 84 84 PHE CA C 84 60.127 59.288 0.840 2
1 1028 . 1 1 A 84 84 PHE CB C 84 36.999 38.758 -1.759 2
1 1034 . 1 1 A 84 84 PHE N N 84 119.861 119.742 0.119 2
1 1035 . 1 1 A 85 85 GLU H H 85 7.730 9.145 -1.415 2
1 1036 . 1 1 A 85 85 GLU HA H 85 3.965 4.325 -0.360 2
1 1041 . 1 1 A 85 85 GLU C C 85 176.966 177.149 -0.183 2
1 1042 . 1 1 A 85 85 GLU CA C 85 57.841 59.090 -1.249 2
1 1043 . 1 1 A 85 85 GLU CB C 85 32.054 30.415 1.639 2
1 1045 . 1 1 A 85 85 GLU N N 85 122.200 124.546 -2.346 2
1 1046 . 1 1 A 86 86 HIS H H 86 9.957 7.887 2.070 2
1 1047 . 1 1 A 86 86 HIS HA H 86 4.988 4.790 0.198 2
1 1052 . 1 1 A 86 86 HIS C C 86 171.400 174.186 -2.786 2
1 1053 . 1 1 A 86 86 HIS CA C 86 53.063 54.915 -1.852 2
1 1054 . 1 1 A 86 86 HIS CB C 86 29.823 28.276 1.547 2
1 1057 . 1 1 A 86 86 HIS N N 86 122.245 117.188 5.057 2
1 1060 . 1 1 A 87 87 VAL H H 87 8.233 8.683 -0.450 2
1 1061 . 1 1 A 87 87 VAL HA H 87 4.934 4.863 0.071 2
1 1069 . 1 1 A 87 87 VAL C C 87 175.510 174.196 1.314 2
1 1070 . 1 1 A 87 87 VAL CA C 87 59.972 60.858 -0.886 2
1 1071 . 1 1 A 87 87 VAL CB C 87 33.883 34.947 -1.064 2
1 1074 . 1 1 A 87 87 VAL N N 87 120.946 124.798 -3.852 2
1 1075 . 1 1 A 88 88 SER H H 88 8.968 8.985 -0.017 2
1 1076 . 1 1 A 88 88 SER HA H 88 4.869 5.281 -0.412 2
1 1079 . 1 1 A 88 88 SER C C 88 174.093 173.037 1.056 2
1 1080 . 1 1 A 88 88 SER CA C 88 55.935 56.393 -0.458 2
1 1081 . 1 1 A 88 88 SER CB C 88 66.077 65.603 0.474 2
1 1082 . 1 1 A 88 88 SER N N 88 121.913 122.229 -0.316 2
1 1083 . 1 1 A 89 89 GLU H H 89 8.628 8.638 -0.010 2
1 1084 . 1 1 A 89 89 GLU HA H 89 4.233 4.815 -0.582 2
1 1089 . 1 1 A 89 89 GLU C C 89 175.212 175.428 -0.216 2
1 1090 . 1 1 A 89 89 GLU CA C 89 55.728 55.749 -0.021 2
1 1091 . 1 1 A 89 89 GLU CB C 89 31.640 30.773 0.867 2
1 1093 . 1 1 A 89 89 GLU N N 89 125.288 122.959 2.329 2
1 1094 . 1 1 A 90 90 LEU H H 90 8.727 8.855 -0.128 2
1 1095 . 1 1 A 90 90 LEU HA H 90 4.829 4.955 -0.126 2
1 1105 . 1 1 A 90 90 LEU C C 90 175.893 175.940 -0.047 2
1 1106 . 1 1 A 90 90 LEU CA C 90 53.771 54.733 -0.962 2
1 1107 . 1 1 A 90 90 LEU CB C 90 41.511 43.156 -1.645 2
1 1111 . 1 1 A 90 90 LEU N N 90 125.766 126.723 -0.957 2
1 1112 . 1 1 A 91 91 LYS H H 91 8.715 8.947 -0.232 2
1 1113 . 1 1 A 91 91 LYS HA H 91 4.164 4.048 0.116 2
1 1122 . 1 1 A 91 91 LYS C C 91 177.680 177.402 0.278 2
1 1123 . 1 1 A 91 91 LYS CA C 91 57.796 58.224 -0.428 2
1 1124 . 1 1 A 91 91 LYS CB C 91 31.705 32.292 -0.587 2
1 1128 . 1 1 A 91 91 LYS N N 91 131.405 127.176 4.229 2
1 1129 . 1 1 A 92 92 GLY H H 92 9.408 8.455 0.953 2
1 1130 . 1 1 A 92 92 GLY HA2 H 92 3.828 3.978 -0.150 2
1 1131 . 1 1 A 92 92 GLY HA3 H 92 4.268 3.984 0.284 2
1 1132 . 1 1 A 92 92 GLY C C 92 175.634 174.417 1.217 2
1 1133 . 1 1 A 92 92 GLY CA C 92 46.001 45.270 0.730 2
1 1134 . 1 1 A 92 92 GLY N N 92 115.262 111.964 3.298 2
1 1135 . 1 1 A 93 93 GLY H H 93 7.616 8.565 -0.949 2
1 1136 . 1 1 A 93 93 GLY HA2 H 93 3.429 4.122 -0.693 2
1 1137 . 1 1 A 93 93 GLY HA3 H 93 4.276 4.176 0.100 2
1 1138 . 1 1 A 93 93 GLY C C 93 172.357 174.854 -2.497 2
1 1139 . 1 1 A 93 93 GLY CA C 93 46.436 45.449 0.987 2
1 1140 . 1 1 A 93 93 GLY N N 93 106.201 108.505 -2.304 2
1 1141 . 1 1 A 94 94 LEU H H 94 8.854 8.934 -0.080 2
1 1142 . 1 1 A 94 94 LEU HA H 94 3.643 4.178 -0.535 2
1 1152 . 1 1 A 94 94 LEU C C 94 178.092 178.675 -0.583 2
1 1153 . 1 1 A 94 94 LEU CA C 94 56.966 57.613 -0.647 2
1 1154 . 1 1 A 94 94 LEU CB C 94 41.937 41.806 0.131 2
1 1158 . 1 1 A 94 94 LEU N N 94 124.279 125.154 -0.875 2
1 1159 . 1 1 A 95 95 ALA H H 95 8.683 8.293 0.390 2
1 1160 . 1 1 A 95 95 ALA HA H 95 4.061 4.022 0.039 2
1 1164 . 1 1 A 95 95 ALA C C 95 180.877 179.739 1.138 2
1 1165 . 1 1 A 95 95 ALA CA C 95 55.406 55.581 -0.175 2
1 1166 . 1 1 A 95 95 ALA CB C 95 18.053 17.930 0.123 2
1 1167 . 1 1 A 95 95 ALA N N 95 120.253 120.771 -0.518 2
1 1168 . 1 1 A 96 96 ALA H H 96 7.249 7.831 -0.582 2
1 1169 . 1 1 A 96 96 ALA HA H 96 4.132 4.066 0.066 2
1 1173 . 1 1 A 96 96 ALA C C 96 179.350 179.508 -0.158 2
1 1174 . 1 1 A 96 96 ALA CA C 96 54.429 54.995 -0.566 2
1 1175 . 1 1 A 96 96 ALA CB C 96 18.580 18.351 0.229 2
1 1176 . 1 1 A 96 96 ALA N N 96 121.080 119.874 1.206 2
1 1177 . 1 1 A 97 97 TRP H H 97 7.636 8.058 -0.422 2
1 1178 . 1 1 A 97 97 TRP HA H 97 4.051 4.144 -0.093 2
1 1187 . 1 1 A 97 97 TRP C C 97 178.223 178.366 -0.143 2
1 1188 . 1 1 A 97 97 TRP CA C 97 59.343 61.626 -2.283 2
1 1189 . 1 1 A 97 97 TRP CB C 97 29.734 29.834 -0.100 2
1 1195 . 1 1 A 97 97 TRP N N 97 119.015 121.039 -2.024 2
1 1197 . 1 1 A 98 98 LYS H H 98 8.764 8.405 0.359 2
1 1198 . 1 1 A 98 98 LYS HA H 98 3.886 4.100 -0.214 2
1 1207 . 1 1 A 98 98 LYS C C 98 180.503 179.297 1.206 2
1 1208 . 1 1 A 98 98 LYS CA C 98 59.365 59.367 -0.002 2
1 1209 . 1 1 A 98 98 LYS CB C 98 31.899 32.333 -0.434 2
1 1213 . 1 1 A 98 98 LYS N N 98 117.855 118.833 -0.978 2
1 1214 . 1 1 A 99 99 ALA H H 99 7.802 8.382 -0.580 2
1 1215 . 1 1 A 99 99 ALA HA H 99 4.139 4.104 0.035 2
1 1219 . 1 1 A 99 99 ALA C C 99 179.188 179.095 0.093 2
1 1220 . 1 1 A 99 99 ALA CA C 99 54.521 54.884 -0.363 2
1 1221 . 1 1 A 99 99 ALA CB C 99 18.016 18.327 -0.311 2
1 1222 . 1 1 A 99 99 ALA N N 99 121.263 121.688 -0.425 2
1 1223 . 1 1 A 100 100 ILE H H 100 6.803 7.571 -0.768 2
1 1224 . 1 1 A 100 100 ILE HA H 100 4.509 4.099 0.410 2
1 1234 . 1 1 A 100 100 ILE C C 100 175.810 176.408 -0.598 2
1 1235 . 1 1 A 100 100 ILE CA C 100 59.964 60.620 -0.656 2
1 1236 . 1 1 A 100 100 ILE CB C 100 37.866 37.244 0.622 2
1 1240 . 1 1 A 100 100 ILE N N 100 107.978 111.150 -3.172 2
1 1241 . 1 1 A 101 101 GLY H H 101 7.741 7.846 -0.105 2
1 1242 . 1 1 A 101 101 GLY HA2 H 101 3.618 3.901 -0.282 2
1 1243 . 1 1 A 101 101 GLY HA3 H 101 3.866 3.906 -0.040 2
1 1244 . 1 1 A 101 101 GLY C C 101 175.319 175.127 0.192 2
1 1245 . 1 1 A 101 101 GLY CA C 101 45.444 46.500 -1.056 2
1 1246 . 1 1 A 101 101 GLY N N 101 109.732 111.215 -1.483 2
1 1247 . 1 1 A 102 102 GLY H H 102 7.823 7.955 -0.132 2
1 1248 . 1 1 A 102 102 GLY HA2 H 102 2.942 3.040 -0.098 2
1 1249 . 1 1 A 102 102 GLY HA3 H 102 2.942 3.670 -0.728 2
1 1250 . 1 1 A 102 102 GLY C C 102 171.578 172.973 -1.395 2
1 1251 . 1 1 A 102 102 GLY CA C 102 41.964 44.155 -2.191 2
1 1252 . 1 1 A 102 102 GLY N N 102 108.608 107.489 1.119 2
1 1253 . 1 1 A 103 103 PRO HA H 103 4.643 4.741 -0.098 2
1 1260 . 1 1 A 103 103 PRO C C 103 178.778 176.707 2.071 2
1 1261 . 1 1 A 103 103 PRO CA C 103 62.843 63.132 -0.289 2
1 1262 . 1 1 A 103 103 PRO CB C 103 32.263 31.887 0.376 2
1 1265 . 1 1 A 104 104 THR H H 104 8.760 8.539 0.221 2
1 1266 . 1 1 A 104 104 THR HA H 104 5.017 5.167 -0.150 2
1 1271 . 1 1 A 104 104 THR C C 104 172.498 173.117 -0.619 2
1 1272 . 1 1 A 104 104 THR CA C 104 59.729 59.554 0.175 2
1 1273 . 1 1 A 104 104 THR CB C 104 72.479 72.229 0.250 2
1 1275 . 1 1 A 104 104 THR N N 104 116.086 112.728 3.359 2
1 1276 . 1 1 A 105 105 GLU H H 105 8.267 8.726 -0.459 2
1 1277 . 1 1 A 105 105 GLU HA H 105 4.499 4.906 -0.407 2
1 1282 . 1 1 A 105 105 GLU C C 105 173.848 174.975 -1.127 2
1 1283 . 1 1 A 105 105 GLU CA C 105 54.647 54.689 -0.042 2
1 1284 . 1 1 A 105 105 GLU CB C 105 34.227 32.685 1.542 2
1 1286 . 1 1 A 105 105 GLU N N 105 117.663 120.085 -2.422 2
1 1287 . 1 1 A 106 106 GLY H H 106 8.207 8.326 -0.119 2
1 1288 . 1 1 A 106 106 GLY HA2 H 106 3.873 4.138 -0.265 2
1 1289 . 1 1 A 106 106 GLY HA3 H 106 3.873 4.197 -0.324 2
1 1290 . 1 1 A 106 106 GLY C C 106 173.052 174.435 -1.383 2
1 1291 . 1 1 A 106 106 GLY CA C 106 44.313 44.844 -0.531 2
1 1292 . 1 1 A 106 106 GLY N N 106 108.896 108.406 0.490 2
1 1293 . 1 1 A 107 107 ILE H H 107 8.333 9.254 -0.921 2
1 1294 . 1 1 A 107 107 ILE HA H 107 4.110 3.909 0.201 2
1 1304 . 1 1 A 107 107 ILE C C 107 176.773 177.696 -0.923 2
1 1305 . 1 1 A 107 107 ILE CA C 107 62.404 64.044 -1.641 2
1 1306 . 1 1 A 107 107 ILE CB C 107 38.826 37.843 0.983 2
1 1310 . 1 1 A 107 107 ILE N N 107 119.410 120.251 -0.841 2
1 1311 . 1 1 A 108 108 ILE H H 108 8.369 7.879 0.490 2
1 1312 . 1 1 A 108 108 ILE HA H 108 4.167 3.812 0.355 2
1 1322 . 1 1 A 108 108 ILE C C 108 176.821 177.894 -1.073 2
1 1323 . 1 1 A 108 108 ILE CA C 108 61.060 64.292 -3.232 2
1 1324 . 1 1 A 108 108 ILE CB C 108 37.984 37.248 0.736 2
1 1328 . 1 1 A 108 108 ILE N N 108 122.390 119.905 2.485 2
1 1329 . 1 1 A 109 109 GLU H H 109 8.127 7.920 0.207 2
1 1330 . 1 1 A 109 109 GLU HA H 109 4.218 4.237 -0.019 2
1 1335 . 1 1 A 109 109 GLU C C 109 176.438 177.584 -1.146 2
1 1336 . 1 1 A 109 109 GLU CA C 109 56.548 57.987 -1.439 2
1 1337 . 1 1 A 109 109 GLU CB C 109 30.178 28.923 1.255 2
1 1339 . 1 1 A 109 109 GLU N N 109 123.739 121.080 2.659 2
1 1340 . 1 1 A 110 110 SER H H 110 8.291 7.939 0.352 2
1 1341 . 1 1 A 110 110 SER HA H 110 4.446 4.522 -0.077 2
1 1344 . 1 1 A 110 110 SER C C 110 174.330 174.143 0.187 2
1 1345 . 1 1 A 110 110 SER CA C 110 58.252 59.498 -1.246 2
1 1346 . 1 1 A 110 110 SER CB C 110 63.598 64.231 -0.633 2
1 1347 . 1 1 A 110 110 SER N N 110 116.242 115.649 0.593 2
1 1348 . 1 1 A 111 111 ARG H H 111 8.238 7.670 0.568 2
1 1349 . 1 1 A 111 111 ARG HA H 111 4.426 4.696 -0.270 2
1 1357 . 1 1 A 111 111 ARG C C 111 176.113 175.109 1.004 2
1 1358 . 1 1 A 111 111 ARG CA C 111 55.848 54.989 0.859 2
1 1359 . 1 1 A 111 111 ARG CB C 111 30.755 32.141 -1.386 2
1 1362 . 1 1 A 111 111 ARG N N 111 122.827 118.358 4.469 2
1 1364 . 1 1 A 112 112 THR H H 112 8.229 8.574 -0.345 2
1 1365 . 1 1 A 112 112 THR HA H 112 4.573 4.830 -0.257 2
1 1370 . 1 1 A 112 112 THR C C 112 172.790 173.516 -0.726 2
1 1371 . 1 1 A 112 112 THR CA C 112 59.716 59.316 0.400 2
1 1372 . 1 1 A 112 112 THR CB C 112 69.503 69.555 -0.052 2
1 1374 . 1 1 A 112 112 THR N N 112 117.863 114.262 3.601 2
1 1375 . 1 1 A 113 113 PRO HA H 113 4.388 4.668 -0.280 2
1 1382 . 1 1 A 113 113 PRO C C 113 176.605 176.060 0.545 2
1 1383 . 1 1 A 113 113 PRO CA C 113 63.131 63.104 0.027 2
1 1384 . 1 1 A 113 113 PRO CB C 113 31.931 31.647 0.284 2
1 1387 . 1 1 A 114 114 ALA H H 114 8.422 8.143 0.279 2
1 1388 . 1 1 A 114 114 ALA HA H 114 4.284 4.582 -0.298 2
1 1392 . 1 1 A 114 114 ALA C C 114 178.251 176.597 1.654 2
1 1393 . 1 1 A 114 114 ALA CA C 114 52.518 51.890 0.628 2
1 1394 . 1 1 A 114 114 ALA CB C 114 19.131 21.160 -2.029 2
1 1395 . 1 1 A 114 114 ALA N N 114 124.466 122.638 1.828 2
1 1396 . 1 1 A 115 115 GLY H H 115 8.380 8.508 -0.128 2
1 1397 . 1 1 A 115 115 GLY HA2 H 115 3.956 4.109 -0.153 2
1 1398 . 1 1 A 115 115 GLY HA3 H 115 3.934 4.109 -0.175 2
1 1399 . 1 1 A 115 115 GLY C C 115 174.020 173.102 0.918 2
1 1400 . 1 1 A 115 115 GLY CA C 115 45.095 45.501 -0.406 2
1 1401 . 1 1 A 115 115 GLY N N 115 108.587 107.570 1.017 2
1 1402 . 1 1 A 116 116 ALA H H 116 8.127 8.396 -0.269 2
1 1403 . 1 1 A 116 116 ALA HA H 116 4.292 4.867 -0.575 2
1 1407 . 1 1 A 116 116 ALA C C 116 177.565 175.723 1.842 2
1 1408 . 1 1 A 116 116 ALA CA C 116 52.504 51.631 0.873 2
1 1409 . 1 1 A 116 116 ALA CB C 116 19.187 21.363 -2.176 2
1 1410 . 1 1 A 116 116 ALA N N 116 123.523 124.520 -0.997 2
1 1411 . 1 1 A 117 117 ASP H H 117 8.316 8.758 -0.442 2
1 1412 . 1 1 A 117 117 ASP HA H 117 4.555 5.214 -0.659 2
1 1415 . 1 1 A 117 117 ASP C C 117 175.899 174.425 1.474 2
1 1416 . 1 1 A 117 117 ASP CA C 117 54.254 53.517 0.737 2
1 1417 . 1 1 A 117 117 ASP CB C 117 40.962 43.807 -2.845 2
1 1418 . 1 1 A 117 117 ASP N N 117 118.783 121.176 -2.393 2
1 1419 . 1 1 A 118 118 ASP H H 118 8.083 8.863 -0.780 2
1 1420 . 1 1 A 118 118 ASP HA H 118 4.529 5.236 -0.707 2
1 1423 . 1 1 A 118 118 ASP C C 118 176.278 174.800 1.478 2
1 1424 . 1 1 A 118 118 ASP CA C 118 54.202 53.080 1.122 2
1 1425 . 1 1 A 118 118 ASP CB C 118 40.933 43.664 -2.731 2
1 1426 . 1 1 A 118 118 ASP N N 118 119.935 121.958 -2.023 2
1 1427 . 1 1 A 119 119 TYR H H 119 8.107 8.895 -0.788 2
1 1428 . 1 1 A 119 119 TYR HA H 119 4.450 4.773 -0.323 2
1 1435 . 1 1 A 119 119 TYR C C 119 175.825 174.805 1.020 2
1 1436 . 1 1 A 119 119 TYR CA C 119 58.350 58.587 -0.237 2
1 1437 . 1 1 A 119 119 TYR CB C 119 38.260 40.137 -1.877 2
1 1442 . 1 1 A 119 119 TYR N N 119 120.415 122.192 -1.777 2
1 1443 . 1 1 A 120 120 ASN H H 120 8.276 8.248 0.028 2
1 1444 . 1 1 A 120 120 ASN HA H 120 4.615 4.633 -0.018 2
1 1449 . 1 1 A 120 120 ASN C C 120 175.102 174.654 0.448 2
1 1450 . 1 1 A 120 120 ASN CA C 120 53.396 53.240 0.156 2
1 1451 . 1 1 A 120 120 ASN CB C 120 38.712 37.749 0.963 2
1 1452 . 1 1 A 120 120 ASN N N 120 119.834 121.552 -1.718 2
1 1454 . 1 1 A 121 121 VAL H H 121 7.897 7.833 0.064 2
1 1455 . 1 1 A 121 121 VAL HA H 121 4.009 4.238 -0.229 2
1 1463 . 1 1 A 121 121 VAL C C 121 176.484 175.326 1.158 2
1 1464 . 1 1 A 121 121 VAL CA C 121 62.950 62.188 0.762 2
1 1465 . 1 1 A 121 121 VAL CB C 121 32.326 32.191 0.135 2
1 1468 . 1 1 A 121 121 VAL N N 121 120.109 121.510 -1.401 2
1 1469 . 1 1 A 122 122 VAL H H 122 8.091 8.387 -0.296 2
1 1470 . 1 1 A 122 122 VAL HA H 122 4.014 4.554 -0.540 2
1 1478 . 1 1 A 122 122 VAL C C 122 176.568 174.827 1.741 2
1 1479 . 1 1 A 122 122 VAL CA C 122 62.924 61.236 1.688 2
1 1480 . 1 1 A 122 122 VAL CB C 122 32.279 32.732 -0.453 2
1 1483 . 1 1 A 122 122 VAL N N 122 122.407 124.752 -2.345 2
1 1484 . 1 1 A 123 123 SER H H 123 8.228 8.585 -0.357 2
1 1485 . 1 1 A 123 123 SER HA H 123 4.385 4.915 -0.530 2
1 1488 . 1 1 A 123 123 SER C C 123 174.863 172.984 1.879 2
1 1489 . 1 1 A 123 123 SER CA C 123 58.525 57.671 0.854 2
1 1490 . 1 1 A 123 123 SER CB C 123 63.450 64.372 -0.922 2
1 1491 . 1 1 A 123 123 SER N N 123 118.095 121.480 -3.385 2
1 1492 . 1 1 A 124 124 ARG H H 124 8.208 8.628 -0.420 2
1 1493 . 1 1 A 124 124 ARG HA H 124 4.297 4.834 -0.537 2
1 1500 . 1 1 A 124 124 ARG C C 124 176.328 174.528 1.800 2
1 1501 . 1 1 A 124 124 ARG CA C 124 56.408 55.640 0.768 2
1 1502 . 1 1 A 124 124 ARG CB C 124 30.480 33.031 -2.551 2
1 1505 . 1 1 A 124 124 ARG N N 124 122.632 126.021 -3.389 2
1 1506 . 1 1 A 125 125 LEU H H 125 8.081 8.698 -0.617 2
1 1507 . 1 1 A 125 125 LEU HA H 125 4.262 4.876 -0.614 2
1 1517 . 1 1 A 125 125 LEU C C 125 177.375 175.096 2.279 2
1 1518 . 1 1 A 125 125 LEU CA C 125 55.282 54.217 1.065 2
1 1519 . 1 1 A 125 125 LEU CB C 125 42.042 44.837 -2.795 2
1 1523 . 1 1 A 125 125 LEU N N 125 121.964 125.126 -3.162 2
1 1524 . 1 1 A 126 126 GLU H H 126 8.232 8.671 -0.439 2
1 1525 . 1 1 A 126 126 GLU HA H 126 4.179 4.850 -0.671 2
1 1530 . 1 1 A 126 126 GLU C C 126 176.238 174.712 1.526 2
1 1531 . 1 1 A 126 126 GLU CA C 126 56.451 55.437 1.014 2
1 1532 . 1 1 A 126 126 GLU CB C 126 30.131 32.701 -2.570 2
stop_
save_