data_10147_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10147
_Entry.PDB_ID 2EE7
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER CA C 6 58.715 58.920 -0.205 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.472 4.724 -0.252 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.934 64.115 -0.181 1
1 6 . 1 1 1 A 6 6 SER C C 6 174.927 175.015 -0.088 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.435 112.165 -1.730 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.348 8.502 -0.154 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.364 44.763 0.601 1
1 10 . 1 1 1 A 7 7 GLY HA2 H 7 3.919 4.050 -0.131 1
1 11 . 1 1 1 A 7 7 GLY HA3 H 7 3.919 4.051 -0.132 1
1 12 . 1 1 1 A 7 7 GLY C C 7 173.952 173.195 0.757 1
1 13 . 1 1 1 A 8 8 MET N N 8 119.481 120.197 -0.716 1
1 14 . 1 1 1 A 8 8 MET H H 8 8.163 8.498 -0.335 1
1 15 . 1 1 1 A 8 8 MET CA C 8 55.472 54.342 1.130 1
1 16 . 1 1 1 A 8 8 MET HA H 8 4.486 4.909 -0.423 1
1 17 . 1 1 1 A 8 8 MET CB C 8 33.598 32.591 1.007 1
1 27 . 1 1 1 A 8 8 MET C C 8 176.019 175.445 0.574 1
1 28 . 1 1 1 A 9 9 ALA N N 9 125.433 127.511 -2.078 1
1 29 . 1 1 1 A 9 9 ALA H H 9 8.436 8.726 -0.290 1
1 30 . 1 1 1 A 9 9 ALA CA C 9 52.481 52.373 0.108 1
1 31 . 1 1 1 A 9 9 ALA HA H 9 4.381 4.433 -0.052 1
1 32 . 1 1 1 A 9 9 ALA CB C 9 19.322 19.156 0.166 1
1 36 . 1 1 1 A 9 9 ALA C C 9 177.349 178.553 -1.204 1
1 37 . 1 1 1 A 10 10 SER N N 10 114.383 119.855 -5.472 1
1 38 . 1 1 1 A 10 10 SER H H 10 8.372 8.769 -0.397 1
1 39 . 1 1 1 A 10 10 SER CA C 10 58.607 61.694 -3.087 1
1 40 . 1 1 1 A 10 10 SER HA H 10 4.470 4.254 0.216 1
1 41 . 1 1 1 A 10 10 SER CB C 10 63.979 63.131 0.848 1
1 44 . 1 1 1 A 10 10 SER C C 10 174.323 174.758 -0.435 1
1 45 . 1 1 1 A 11 11 SER N N 11 116.549 113.552 2.997 1
1 46 . 1 1 1 A 11 11 SER H H 11 8.111 7.981 0.130 1
1 47 . 1 1 1 A 11 11 SER CA C 11 58.189 55.877 2.312 1
1 48 . 1 1 1 A 11 11 SER HA H 11 4.487 4.870 -0.383 1
1 49 . 1 1 1 A 11 11 SER CB C 11 64.081 65.706 -1.625 1
1 52 . 1 1 1 A 11 11 SER C C 11 173.692 173.605 0.087 1
1 53 . 1 1 1 A 12 12 VAL N N 12 120.502 121.291 -0.789 1
1 54 . 1 1 1 A 12 12 VAL H H 12 8.207 8.713 -0.506 1
1 55 . 1 1 1 A 12 12 VAL CA C 12 61.847 61.824 0.023 1
1 56 . 1 1 1 A 12 12 VAL HA H 12 4.150 4.504 -0.354 1
1 57 . 1 1 1 A 12 12 VAL CB C 12 33.269 32.776 0.493 1
1 67 . 1 1 1 A 12 12 VAL C C 12 174.930 175.112 -0.182 1
1 68 . 1 1 1 A 13 13 ASP N N 13 124.104 126.832 -2.728 1
1 69 . 1 1 1 A 13 13 ASP H H 13 7.953 9.010 -1.057 1
1 70 . 1 1 1 A 13 13 ASP CA C 13 53.249 53.142 0.107 1
1 71 . 1 1 1 A 13 13 ASP HA H 13 4.661 4.912 -0.251 1
1 72 . 1 1 1 A 13 13 ASP CB C 13 41.891 42.131 -0.240 1
1 75 . 1 1 1 A 13 13 ASP C C 13 176.009 177.532 -1.523 1
1 76 . 1 1 1 A 14 14 GLU N N 14 120.197 120.903 -0.706 1
1 77 . 1 1 1 A 14 14 GLU H H 14 8.568 9.023 -0.455 1
1 78 . 1 1 1 A 14 14 GLU CA C 14 59.932 58.747 1.185 1
1 79 . 1 1 1 A 14 14 GLU HA H 14 3.944 4.044 -0.100 1
1 80 . 1 1 1 A 14 14 GLU CB C 14 29.670 29.103 0.567 1
1 86 . 1 1 1 A 14 14 GLU C C 14 178.863 178.721 0.142 1
1 87 . 1 1 1 A 15 15 GLU N N 15 120.713 120.160 0.553 1
1 88 . 1 1 1 A 15 15 GLU H H 15 8.312 8.360 -0.048 1
1 89 . 1 1 1 A 15 15 GLU CA C 15 59.101 59.455 -0.354 1
1 90 . 1 1 1 A 15 15 GLU HA H 15 4.244 4.095 0.149 1
1 91 . 1 1 1 A 15 15 GLU CB C 15 28.917 29.156 -0.239 1
1 97 . 1 1 1 A 15 15 GLU C C 15 178.511 179.006 -0.495 1
1 98 . 1 1 1 A 16 16 ALA N N 16 123.041 122.056 0.985 1
1 99 . 1 1 1 A 16 16 ALA H H 16 8.047 8.028 0.019 1
1 100 . 1 1 1 A 16 16 ALA CA C 16 54.830 55.105 -0.275 1
1 101 . 1 1 1 A 16 16 ALA HA H 16 4.093 4.073 0.020 1
1 102 . 1 1 1 A 16 16 ALA CB C 16 18.371 18.486 -0.115 1
1 106 . 1 1 1 A 16 16 ALA C C 16 181.428 179.993 1.435 1
1 107 . 1 1 1 A 17 17 LEU N N 17 119.436 118.421 1.015 1
1 108 . 1 1 1 A 17 17 LEU H H 17 8.042 8.107 -0.065 1
1 109 . 1 1 1 A 17 17 LEU CA C 17 57.623 57.783 -0.160 1
1 110 . 1 1 1 A 17 17 LEU HA H 17 3.838 3.741 0.097 1
1 111 . 1 1 1 A 17 17 LEU CB C 17 41.323 41.828 -0.505 1
1 124 . 1 1 1 A 17 17 LEU C C 17 177.590 178.542 -0.952 1
1 125 . 1 1 1 A 18 18 HIS N N 18 118.394 117.511 0.883 1
1 126 . 1 1 1 A 18 18 HIS H H 18 8.182 8.245 -0.063 1
1 127 . 1 1 1 A 18 18 HIS CA C 18 59.415 60.075 -0.660 1
1 128 . 1 1 1 A 18 18 HIS HA H 18 4.435 3.881 0.554 1
1 129 . 1 1 1 A 18 18 HIS CB C 18 29.560 29.556 0.004 1
1 136 . 1 1 1 A 18 18 HIS C C 18 178.114 176.592 1.522 1
1 137 . 1 1 1 A 19 19 GLN N N 19 115.623 117.252 -1.629 1
1 138 . 1 1 1 A 19 19 GLN H H 19 8.178 8.210 -0.032 1
1 139 . 1 1 1 A 19 19 GLN CA C 19 58.406 58.813 -0.407 1
1 140 . 1 1 1 A 19 19 GLN HA H 19 3.904 3.791 0.113 1
1 141 . 1 1 1 A 19 19 GLN CB C 19 28.118 28.308 -0.190 1
1 150 . 1 1 1 A 19 19 GLN C C 19 179.132 178.213 0.919 1
1 151 . 1 1 1 A 20 20 LEU N N 20 122.817 121.167 1.650 1
1 152 . 1 1 1 A 20 20 LEU H H 20 7.949 7.636 0.313 1
1 153 . 1 1 1 A 20 20 LEU CA C 20 58.278 57.623 0.655 1
1 154 . 1 1 1 A 20 20 LEU HA H 20 4.233 4.213 0.020 1
1 155 . 1 1 1 A 20 20 LEU CB C 20 40.850 41.866 -1.016 1
1 168 . 1 1 1 A 20 20 LEU C C 20 178.466 178.370 0.096 1
1 169 . 1 1 1 A 21 21 TYR N N 21 118.825 119.017 -0.192 1
1 170 . 1 1 1 A 21 21 TYR H H 21 8.376 8.186 0.190 1
1 171 . 1 1 1 A 21 21 TYR CA C 21 60.605 61.565 -0.960 1
1 172 . 1 1 1 A 21 21 TYR HA H 21 4.286 4.462 -0.176 1
1 173 . 1 1 1 A 21 21 TYR CB C 21 36.667 38.219 -1.552 1
1 184 . 1 1 1 A 21 21 TYR C C 21 178.654 178.492 0.162 1
1 185 . 1 1 1 A 22 22 LEU N N 22 118.954 120.305 -1.351 1
1 186 . 1 1 1 A 22 22 LEU H H 22 7.869 8.458 -0.589 1
1 187 . 1 1 1 A 22 22 LEU CA C 22 57.887 57.520 0.367 1
1 188 . 1 1 1 A 22 22 LEU HA H 22 4.076 4.139 -0.063 1
1 189 . 1 1 1 A 22 22 LEU CB C 22 42.250 41.859 0.391 1
1 202 . 1 1 1 A 22 22 LEU C C 22 178.877 179.065 -0.188 1
1 203 . 1 1 1 A 23 23 TRP N N 23 120.668 120.255 0.413 1
1 204 . 1 1 1 A 23 23 TRP H H 23 7.804 8.125 -0.321 1
1 205 . 1 1 1 A 23 23 TRP CA C 23 60.711 61.240 -0.529 1
1 206 . 1 1 1 A 23 23 TRP HA H 23 4.436 4.179 0.257 1
1 207 . 1 1 1 A 23 23 TRP CB C 23 28.035 29.567 -1.532 1
1 222 . 1 1 1 A 23 23 TRP C C 23 178.471 178.194 0.277 1
1 223 . 1 1 1 A 24 24 VAL N N 24 116.831 119.474 -2.643 1
1 224 . 1 1 1 A 24 24 VAL H H 24 8.503 8.007 0.496 1
1 225 . 1 1 1 A 24 24 VAL CA C 24 66.014 66.450 -0.436 1
1 226 . 1 1 1 A 24 24 VAL HA H 24 3.084 2.826 0.258 1
1 227 . 1 1 1 A 24 24 VAL CB C 24 31.826 31.518 0.308 1
1 237 . 1 1 1 A 24 24 VAL C C 24 178.212 177.507 0.705 1
1 238 . 1 1 1 A 25 25 ASP N N 25 117.894 119.869 -1.975 1
1 239 . 1 1 1 A 25 25 ASP H H 25 8.140 8.279 -0.139 1
1 240 . 1 1 1 A 25 25 ASP CA C 25 57.043 57.604 -0.561 1
1 241 . 1 1 1 A 25 25 ASP HA H 25 4.290 4.166 0.124 1
1 242 . 1 1 1 A 25 25 ASP CB C 25 41.067 41.604 -0.537 1
1 245 . 1 1 1 A 25 25 ASP C C 25 177.163 177.846 -0.683 1
1 246 . 1 1 1 A 26 26 ASN N N 26 114.914 116.612 -1.698 1
1 247 . 1 1 1 A 26 26 ASN H H 26 7.229 8.326 -1.097 1
1 248 . 1 1 1 A 26 26 ASN CA C 26 53.375 56.664 -3.289 1
1 249 . 1 1 1 A 26 26 ASN HA H 26 4.607 4.416 0.191 1
1 250 . 1 1 1 A 26 26 ASN CB C 26 40.048 38.700 1.348 1
1 256 . 1 1 1 A 26 26 ASN C C 26 174.227 175.876 -1.649 1
1 257 . 1 1 1 A 27 27 ILE N N 27 123.268 119.308 3.960 1
1 258 . 1 1 1 A 27 27 ILE H H 27 7.212 7.239 -0.027 1
1 259 . 1 1 1 A 27 27 ILE CA C 27 58.327 60.480 -2.153 1
1 260 . 1 1 1 A 27 27 ILE HA H 27 3.628 3.870 -0.242 1
1 261 . 1 1 1 A 27 27 ILE CB C 27 39.403 37.923 1.480 1
1 274 . 1 1 1 A 27 27 ILE C C 27 173.764 174.641 -0.877 1
1 275 . 1 1 1 A 28 28 PRO CA C 28 62.584 62.356 0.228 1
1 276 . 1 1 1 A 28 28 PRO HA H 28 4.354 4.679 -0.325 1
1 277 . 1 1 1 A 28 28 PRO CB C 28 30.056 30.429 -0.373 1
1 286 . 1 1 1 A 28 28 PRO C C 28 175.419 175.475 -0.056 1
1 287 . 1 1 1 A 29 29 LEU N N 29 125.355 125.357 -0.002 1
1 288 . 1 1 1 A 29 29 LEU H H 29 8.118 8.161 -0.043 1
1 289 . 1 1 1 A 29 29 LEU CA C 29 53.358 53.382 -0.024 1
1 290 . 1 1 1 A 29 29 LEU HA H 29 4.748 4.811 -0.063 1
1 291 . 1 1 1 A 29 29 LEU CB C 29 45.279 43.810 1.469 1
1 304 . 1 1 1 A 29 29 LEU C C 29 178.577 176.022 2.555 1
1 305 . 1 1 1 A 31 31 ARG CA C 31 53.250 53.786 -0.536 1
1 306 . 1 1 1 A 31 31 ARG HA H 31 4.787 4.889 -0.102 1
1 307 . 1 1 1 A 31 31 ARG CB C 31 32.107 32.968 -0.861 1
1 316 . 1 1 1 A 32 32 PRO CA C 32 62.865 62.210 0.655 1
1 317 . 1 1 1 A 32 32 PRO HA H 32 4.300 4.578 -0.278 1
1 318 . 1 1 1 A 32 32 PRO CB C 32 32.193 33.117 -0.924 1
1 327 . 1 1 1 A 33 33 LYS CA C 33 56.154 55.667 0.487 1
1 328 . 1 1 1 A 33 33 LYS HA H 33 4.361 4.685 -0.324 1
1 329 . 1 1 1 A 33 33 LYS CB C 33 32.368 32.906 -0.538 1
1 341 . 1 1 1 A 34 34 ARG N N 34 122.768 121.929 0.839 1
1 342 . 1 1 1 A 34 34 ARG H H 34 8.410 8.579 -0.169 1
1 343 . 1 1 1 A 34 34 ARG HA H 34 4.336 4.893 -0.557 1
1 344 . 1 1 1 A 34 34 ARG CB C 34 31.894 32.681 -0.787 1
1 349 . 1 1 1 A 35 35 ASN CA C 35 53.153 53.899 -0.746 1
1 350 . 1 1 1 A 35 35 ASN HA H 35 4.771 4.623 0.148 1
1 351 . 1 1 1 A 35 35 ASN CB C 35 39.425 39.173 0.252 1
1 357 . 1 1 1 A 36 36 LEU N N 36 110.943 121.579 -10.636 1
1 358 . 1 1 1 A 36 36 LEU H H 36 8.305 8.548 -0.243 1
1 359 . 1 1 1 A 36 36 LEU CA C 36 60.191 57.038 3.153 1
1 360 . 1 1 1 A 36 36 LEU HA H 36 4.140 4.081 0.059 1
1 361 . 1 1 1 A 36 36 LEU CB C 36 41.876 42.056 -0.180 1
1 374 . 1 1 1 A 37 37 SER CA C 37 61.673 61.180 0.493 1
1 375 . 1 1 1 A 37 37 SER HA H 37 4.080 4.313 -0.233 1
1 376 . 1 1 1 A 37 37 SER CB C 37 62.700 63.018 -0.318 1
1 379 . 1 1 1 A 38 38 ARG N N 38 119.288 120.099 -0.811 1
1 380 . 1 1 1 A 38 38 ARG H H 38 7.773 7.548 0.225 1
1 381 . 1 1 1 A 38 38 ARG HA H 38 4.587 4.305 0.282 1
1 384 . 1 1 1 A 39 39 ASP N N 39 121.607 119.510 2.097 1
1 385 . 1 1 1 A 39 39 ASP H H 39 9.487 7.896 1.591 1
1 386 . 1 1 1 A 39 39 ASP CA C 39 58.026 56.880 1.146 1
1 387 . 1 1 1 A 39 39 ASP HA H 39 4.518 4.381 0.137 1
1 388 . 1 1 1 A 39 39 ASP CB C 39 40.039 41.086 -1.047 1
1 391 . 1 1 1 A 40 40 PHE N N 40 115.310 118.872 -3.562 1
1 392 . 1 1 1 A 40 40 PHE H H 40 8.300 8.000 0.300 1
1 393 . 1 1 1 A 40 40 PHE CA C 40 59.420 60.648 -1.228 1
1 394 . 1 1 1 A 40 40 PHE HA H 40 4.605 4.310 0.295 1
1 395 . 1 1 1 A 40 40 PHE CB C 40 39.030 38.882 0.148 1
1 408 . 1 1 1 A 41 41 SER N N 41 115.417 114.733 0.684 1
1 409 . 1 1 1 A 41 41 SER H H 41 7.441 8.492 -1.051 1
1 410 . 1 1 1 A 41 41 SER CA C 41 62.290 61.855 0.435 1
1 411 . 1 1 1 A 41 41 SER HA H 41 4.341 4.192 0.149 1
1 412 . 1 1 1 A 41 41 SER CB C 41 64.510 63.048 1.462 1
1 415 . 1 1 1 A 42 42 ASP N N 42 117.563 117.095 0.468 1
1 416 . 1 1 1 A 42 42 ASP H H 42 8.726 8.384 0.342 1
1 417 . 1 1 1 A 42 42 ASP CA C 42 53.746 55.705 -1.959 1
1 418 . 1 1 1 A 42 42 ASP HA H 42 4.780 4.521 0.259 1
1 419 . 1 1 1 A 42 42 ASP CB C 42 42.695 41.529 1.166 1
1 422 . 1 1 1 A 42 42 ASP C C 42 176.013 176.884 -0.871 1
1 423 . 1 1 1 A 43 43 GLY N N 43 106.643 108.353 -1.710 1
1 424 . 1 1 1 A 43 43 GLY H H 43 7.388 7.940 -0.552 1
1 425 . 1 1 1 A 43 43 GLY CA C 43 45.230 45.061 0.169 1
1 426 . 1 1 1 A 43 43 GLY HA2 H 43 3.131 3.436 -0.305 1
1 427 . 1 1 1 A 43 43 GLY HA3 H 43 2.588 3.579 -0.991 1
1 428 . 1 1 1 A 43 43 GLY C C 43 173.476 175.829 -2.353 1
1 429 . 1 1 1 A 44 44 VAL N N 44 121.300 120.236 1.064 1
1 430 . 1 1 1 A 44 44 VAL H H 44 7.874 8.126 -0.252 1
1 431 . 1 1 1 A 44 44 VAL CA C 44 67.198 65.573 1.625 1
1 432 . 1 1 1 A 44 44 VAL HA H 44 3.018 3.642 -0.624 1
1 433 . 1 1 1 A 44 44 VAL CB C 44 31.139 31.551 -0.412 1
1 443 . 1 1 1 A 44 44 VAL C C 44 177.853 177.958 -0.105 1
1 444 . 1 1 1 A 45 45 LEU N N 45 114.495 122.215 -7.720 1
1 445 . 1 1 1 A 45 45 LEU H H 45 8.945 7.831 1.114 1
1 446 . 1 1 1 A 45 45 LEU CA C 45 57.466 57.708 -0.242 1
1 447 . 1 1 1 A 45 45 LEU HA H 45 3.838 4.044 -0.206 1
1 448 . 1 1 1 A 45 45 LEU CB C 45 40.503 41.792 -1.289 1
1 461 . 1 1 1 A 45 45 LEU C C 45 179.257 178.752 0.505 1
1 462 . 1 1 1 A 46 46 VAL N N 46 118.354 118.978 -0.624 1
1 463 . 1 1 1 A 46 46 VAL H H 46 7.422 8.417 -0.995 1
1 464 . 1 1 1 A 46 46 VAL CA C 46 67.288 66.793 0.495 1
1 465 . 1 1 1 A 46 46 VAL HA H 46 3.469 3.655 -0.186 1
1 466 . 1 1 1 A 46 46 VAL CB C 46 30.173 31.439 -1.266 1
1 476 . 1 1 1 A 46 46 VAL C C 46 176.954 178.401 -1.447 1
1 477 . 1 1 1 A 47 47 ALA N N 47 121.963 121.855 0.108 1
1 478 . 1 1 1 A 47 47 ALA H H 47 7.272 7.611 -0.339 1
1 479 . 1 1 1 A 47 47 ALA CA C 47 55.991 54.815 1.176 1
1 480 . 1 1 1 A 47 47 ALA HA H 47 3.576 3.939 -0.363 1
1 481 . 1 1 1 A 47 47 ALA CB C 47 17.292 18.134 -0.842 1
1 485 . 1 1 1 A 47 47 ALA C C 47 178.880 179.983 -1.103 1
1 486 . 1 1 1 A 48 48 GLU N N 48 116.763 118.700 -1.937 1
1 487 . 1 1 1 A 48 48 GLU H H 48 8.081 7.851 0.230 1
1 488 . 1 1 1 A 48 48 GLU CA C 48 60.605 59.639 0.966 1
1 489 . 1 1 1 A 48 48 GLU HA H 48 3.851 4.061 -0.210 1
1 490 . 1 1 1 A 48 48 GLU CB C 48 30.467 29.699 0.768 1
1 496 . 1 1 1 A 48 48 GLU C C 48 180.175 179.297 0.878 1
1 497 . 1 1 1 A 49 49 VAL N N 49 122.024 119.915 2.109 1
1 498 . 1 1 1 A 49 49 VAL H H 49 8.325 7.588 0.737 1
1 499 . 1 1 1 A 49 49 VAL CA C 49 67.146 66.238 0.908 1
1 500 . 1 1 1 A 49 49 VAL HA H 49 3.530 3.679 -0.149 1
1 501 . 1 1 1 A 49 49 VAL CB C 49 31.543 31.678 -0.135 1
1 511 . 1 1 1 A 49 49 VAL C C 49 177.168 178.740 -1.572 1
1 512 . 1 1 1 A 50 50 ILE N N 50 117.821 120.796 -2.975 1
1 513 . 1 1 1 A 50 50 ILE H H 50 7.947 7.801 0.146 1
1 514 . 1 1 1 A 50 50 ILE CA C 50 66.217 65.516 0.701 1
1 515 . 1 1 1 A 50 50 ILE HA H 50 3.757 3.607 0.150 1
1 516 . 1 1 1 A 50 50 ILE CB C 50 37.952 37.308 0.644 1
1 529 . 1 1 1 A 50 50 ILE C C 50 177.890 178.110 -0.220 1
1 530 . 1 1 1 A 51 51 LYS N N 51 121.589 120.625 0.964 1
1 531 . 1 1 1 A 51 51 LYS H H 51 8.790 7.964 0.826 1
1 532 . 1 1 1 A 51 51 LYS CA C 51 58.277 59.693 -1.416 1
1 533 . 1 1 1 A 51 51 LYS HA H 51 3.816 4.015 -0.199 1
1 534 . 1 1 1 A 51 51 LYS CB C 51 32.898 32.272 0.626 1
1 546 . 1 1 1 A 51 51 LYS C C 51 176.668 178.631 -1.963 1
1 547 . 1 1 1 A 52 52 PHE N N 52 117.622 120.243 -2.621 1
1 548 . 1 1 1 A 52 52 PHE H H 52 7.768 7.536 0.232 1
1 549 . 1 1 1 A 52 52 PHE CA C 52 60.585 61.297 -0.712 1
1 550 . 1 1 1 A 52 52 PHE HA H 52 4.090 4.220 -0.130 1
1 551 . 1 1 1 A 52 52 PHE CB C 52 38.775 38.936 -0.161 1
1 564 . 1 1 1 A 52 52 PHE C C 52 176.831 176.827 0.004 1
1 565 . 1 1 1 A 53 53 TYR N N 53 115.876 116.645 -0.769 1
1 566 . 1 1 1 A 53 53 TYR H H 53 7.346 8.206 -0.860 1
1 567 . 1 1 1 A 53 53 TYR CA C 53 61.264 60.451 0.813 1
1 568 . 1 1 1 A 53 53 TYR HA H 53 3.697 4.162 -0.465 1
1 569 . 1 1 1 A 53 53 TYR CB C 53 41.522 38.131 3.391 1
1 580 . 1 1 1 A 53 53 TYR C C 53 175.972 175.665 0.307 1
1 581 . 1 1 1 A 54 54 PHE N N 54 116.478 117.187 -0.709 1
1 582 . 1 1 1 A 54 54 PHE H H 54 8.877 8.366 0.511 1
1 583 . 1 1 1 A 54 54 PHE CA C 54 55.553 54.974 0.579 1
1 584 . 1 1 1 A 54 54 PHE HA H 54 5.173 5.111 0.062 1
1 585 . 1 1 1 A 54 54 PHE CB C 54 40.841 39.387 1.454 1
1 598 . 1 1 1 A 54 54 PHE C C 54 173.424 174.603 -1.179 1
1 599 . 1 1 1 A 55 55 PRO CA C 55 65.147 65.242 -0.095 1
1 600 . 1 1 1 A 55 55 PRO HA H 55 4.591 4.413 0.178 1
1 601 . 1 1 1 A 55 55 PRO CB C 55 32.014 32.151 -0.137 1
1 610 . 1 1 1 A 55 55 PRO C C 55 179.255 178.625 0.630 1
1 611 . 1 1 1 A 56 56 LYS N N 56 113.672 116.698 -3.026 1
1 612 . 1 1 1 A 56 56 LYS H H 56 8.639 8.861 -0.222 1
1 613 . 1 1 1 A 56 56 LYS CA C 56 56.918 58.994 -2.076 1
1 614 . 1 1 1 A 56 56 LYS HA H 56 4.384 4.095 0.289 1
1 615 . 1 1 1 A 56 56 LYS CB C 56 31.868 32.294 -0.426 1
1 627 . 1 1 1 A 56 56 LYS C C 56 178.220 178.982 -0.762 1
1 628 . 1 1 1 A 57 57 MET N N 57 116.692 118.615 -1.923 1
1 629 . 1 1 1 A 57 57 MET H H 57 8.099 8.237 -0.138 1
1 630 . 1 1 1 A 57 57 MET CA C 57 57.537 58.616 -1.079 1
1 631 . 1 1 1 A 57 57 MET HA H 57 4.260 4.162 0.098 1
1 632 . 1 1 1 A 57 57 MET CB C 57 35.400 32.552 2.848 1
1 642 . 1 1 1 A 57 57 MET C C 57 174.856 177.419 -2.563 1
1 643 . 1 1 1 A 58 58 VAL N N 58 114.727 118.187 -3.460 1
1 644 . 1 1 1 A 58 58 VAL H H 58 6.872 7.321 -0.449 1
1 645 . 1 1 1 A 58 58 VAL CA C 58 60.834 63.533 -2.699 1
1 646 . 1 1 1 A 58 58 VAL HA H 58 4.421 4.093 0.328 1
1 647 . 1 1 1 A 58 58 VAL CB C 58 36.223 32.067 4.156 1
1 657 . 1 1 1 A 58 58 VAL C C 58 173.747 175.715 -1.968 1
1 658 . 1 1 1 A 59 59 GLU N N 59 127.314 125.349 1.965 1
1 659 . 1 1 1 A 59 59 GLU H H 59 8.783 8.878 -0.095 1
1 660 . 1 1 1 A 59 59 GLU CA C 59 54.465 56.722 -2.257 1
1 661 . 1 1 1 A 59 59 GLU HA H 59 4.671 4.616 0.055 1
1 662 . 1 1 1 A 59 59 GLU CB C 59 30.020 31.606 -1.586 1
1 668 . 1 1 1 A 59 59 GLU C C 59 176.450 176.226 0.224 1
1 669 . 1 1 1 A 60 60 MET N N 60 122.273 116.551 5.722 1
1 670 . 1 1 1 A 60 60 MET H H 60 9.004 8.334 0.670 1
1 671 . 1 1 1 A 60 60 MET CA C 60 55.751 56.939 -1.188 1
1 672 . 1 1 1 A 60 60 MET HA H 60 4.613 4.367 0.246 1
1 673 . 1 1 1 A 60 60 MET CB C 60 29.356 31.097 -1.741 1
1 683 . 1 1 1 A 60 60 MET C C 60 178.387 175.525 2.862 1
1 684 . 1 1 1 A 61 61 HIS N N 61 115.823 116.931 -1.108 1
1 685 . 1 1 1 A 61 61 HIS H H 61 8.198 8.106 0.092 1
1 686 . 1 1 1 A 61 61 HIS CA C 61 57.963 57.096 0.867 1
1 687 . 1 1 1 A 61 61 HIS HA H 61 4.341 4.830 -0.489 1
1 688 . 1 1 1 A 61 61 HIS CB C 61 29.235 32.285 -3.050 1
1 695 . 1 1 1 A 61 61 HIS C C 61 175.800 176.520 -0.720 1
1 696 . 1 1 1 A 62 62 ASN N N 62 115.093 115.743 -0.650 1
1 697 . 1 1 1 A 62 62 ASN H H 62 6.895 7.627 -0.732 1
1 698 . 1 1 1 A 62 62 ASN CA C 62 54.503 54.813 -0.310 1
1 699 . 1 1 1 A 62 62 ASN HA H 62 3.872 4.387 -0.515 1
1 700 . 1 1 1 A 62 62 ASN CB C 62 38.749 39.294 -0.545 1
1 706 . 1 1 1 A 62 62 ASN C C 62 173.014 175.782 -2.768 1
1 707 . 1 1 1 A 63 63 TYR N N 63 118.560 117.969 0.591 1
1 708 . 1 1 1 A 63 63 TYR H H 63 7.255 7.303 -0.048 1
1 709 . 1 1 1 A 63 63 TYR CA C 63 56.311 59.268 -2.957 1
1 710 . 1 1 1 A 63 63 TYR HA H 63 4.481 4.563 -0.082 1
1 711 . 1 1 1 A 63 63 TYR CB C 63 39.138 39.344 -0.206 1
1 722 . 1 1 1 A 63 63 TYR C C 63 173.223 176.391 -3.168 1
1 723 . 1 1 1 A 64 64 VAL N N 64 122.318 122.238 0.080 1
1 724 . 1 1 1 A 64 64 VAL H H 64 7.750 8.616 -0.866 1
1 725 . 1 1 1 A 64 64 VAL CA C 64 58.601 58.805 -0.204 1
1 726 . 1 1 1 A 64 64 VAL HA H 64 4.469 4.636 -0.167 1
1 727 . 1 1 1 A 64 64 VAL CB C 64 33.747 35.511 -1.764 1
1 737 . 1 1 1 A 64 64 VAL C C 64 173.983 173.928 0.055 1
1 738 . 1 1 1 A 65 65 PRO CA C 65 63.212 62.484 0.728 1
1 739 . 1 1 1 A 65 65 PRO HA H 65 4.348 4.809 -0.461 1
1 740 . 1 1 1 A 65 65 PRO CB C 65 31.279 31.803 -0.524 1
1 749 . 1 1 1 A 65 65 PRO C C 65 176.821 176.300 0.521 1
1 750 . 1 1 1 A 66 66 ALA N N 66 125.896 124.424 1.472 1
1 751 . 1 1 1 A 66 66 ALA H H 66 8.563 8.526 0.037 1
1 752 . 1 1 1 A 66 66 ALA CA C 66 52.003 50.779 1.224 1
1 753 . 1 1 1 A 66 66 ALA HA H 66 4.651 5.057 -0.406 1
1 754 . 1 1 1 A 66 66 ALA CB C 66 24.137 24.326 -0.189 1
1 758 . 1 1 1 A 66 66 ALA C C 66 176.244 176.168 0.076 1
1 759 . 1 1 1 A 67 67 ASN CA C 67 52.862 52.246 0.616 1
1 760 . 1 1 1 A 67 67 ASN HA H 67 4.988 5.137 -0.149 1
1 761 . 1 1 1 A 67 67 ASN CB C 67 40.168 38.591 1.577 1
1 767 . 1 1 1 A 67 67 ASN C C 67 174.896 174.262 0.634 1
1 768 . 1 1 1 A 68 68 SER N N 68 114.553 113.590 0.963 1
1 769 . 1 1 1 A 68 68 SER H H 68 7.777 7.660 0.117 1
1 770 . 1 1 1 A 68 68 SER CA C 68 56.741 56.228 0.513 1
1 771 . 1 1 1 A 68 68 SER HA H 68 4.737 4.895 -0.158 1
1 772 . 1 1 1 A 68 68 SER CB C 68 65.267 65.800 -0.533 1
1 775 . 1 1 1 A 68 68 SER C C 68 174.542 174.749 -0.207 1
1 776 . 1 1 1 A 69 69 LEU CA C 69 59.000 59.044 -0.044 1
1 777 . 1 1 1 A 69 69 LEU HA H 69 3.961 4.023 -0.062 1
1 778 . 1 1 1 A 69 69 LEU CB C 69 41.679 41.775 -0.096 1
1 791 . 1 1 1 A 69 69 LEU C C 69 178.629 177.836 0.793 1
1 792 . 1 1 1 A 70 70 GLN N N 70 115.924 118.724 -2.800 1
1 793 . 1 1 1 A 70 70 GLN H H 70 8.785 8.144 0.641 1
1 794 . 1 1 1 A 70 70 GLN CA C 70 59.728 59.382 0.346 1
1 795 . 1 1 1 A 70 70 GLN HA H 70 3.977 3.969 0.008 1
1 796 . 1 1 1 A 70 70 GLN CB C 70 27.912 28.739 -0.827 1
1 805 . 1 1 1 A 70 70 GLN C C 70 178.954 178.184 0.770 1
1 806 . 1 1 1 A 71 71 GLN N N 71 118.694 118.288 0.406 1
1 807 . 1 1 1 A 71 71 GLN H H 71 7.780 8.081 -0.301 1
1 808 . 1 1 1 A 71 71 GLN CA C 71 58.233 58.706 -0.473 1
1 809 . 1 1 1 A 71 71 GLN HA H 71 4.219 4.108 0.111 1
1 810 . 1 1 1 A 71 71 GLN CB C 71 29.089 28.561 0.528 1
1 819 . 1 1 1 A 71 71 GLN C C 71 178.724 178.554 0.170 1
1 820 . 1 1 1 A 72 72 LYS N N 72 119.661 119.694 -0.033 1
1 821 . 1 1 1 A 72 72 LYS H H 72 8.094 8.171 -0.077 1
1 822 . 1 1 1 A 72 72 LYS CA C 72 61.528 59.621 1.907 1
1 823 . 1 1 1 A 72 72 LYS HA H 72 4.206 4.056 0.150 1
1 824 . 1 1 1 A 72 72 LYS CB C 72 33.806 32.311 1.495 1
1 836 . 1 1 1 A 72 72 LYS C C 72 179.041 179.381 -0.340 1
1 837 . 1 1 1 A 73 73 LEU N N 73 117.098 120.865 -3.767 1
1 838 . 1 1 1 A 73 73 LEU H H 73 8.602 8.253 0.349 1
1 839 . 1 1 1 A 73 73 LEU CA C 73 58.118 57.905 0.213 1
1 840 . 1 1 1 A 73 73 LEU HA H 73 4.287 4.127 0.160 1
1 841 . 1 1 1 A 73 73 LEU CB C 73 40.831 41.534 -0.703 1
1 854 . 1 1 1 A 73 73 LEU C C 73 180.838 178.922 1.916 1
1 855 . 1 1 1 A 74 74 SER N N 74 118.060 113.898 4.162 1
1 856 . 1 1 1 A 74 74 SER H H 74 8.334 7.991 0.343 1
1 857 . 1 1 1 A 74 74 SER CA C 74 61.971 61.581 0.390 1
1 858 . 1 1 1 A 74 74 SER HA H 74 4.431 4.207 0.224 1
1 859 . 1 1 1 A 74 74 SER CB C 74 62.560 63.154 -0.594 1
1 862 . 1 1 1 A 74 74 SER C C 74 177.493 177.064 0.429 1
1 863 . 1 1 1 A 75 75 ASN N N 75 121.688 119.324 2.364 1
1 864 . 1 1 1 A 75 75 ASN H H 75 8.266 8.270 -0.004 1
1 865 . 1 1 1 A 75 75 ASN CA C 75 56.090 56.400 -0.310 1
1 866 . 1 1 1 A 75 75 ASN HA H 75 4.739 4.600 0.139 1
1 867 . 1 1 1 A 75 75 ASN CB C 75 38.184 38.753 -0.569 1
1 873 . 1 1 1 A 75 75 ASN C C 75 177.792 178.378 -0.586 1
1 874 . 1 1 1 A 76 76 TRP N N 76 118.943 120.355 -1.412 1
1 875 . 1 1 1 A 76 76 TRP H H 76 8.510 8.546 -0.036 1
1 876 . 1 1 1 A 76 76 TRP CA C 76 62.294 59.392 2.902 1
1 877 . 1 1 1 A 76 76 TRP HA H 76 4.173 4.305 -0.132 1
1 878 . 1 1 1 A 76 76 TRP CB C 76 29.223 29.022 0.201 1
1 893 . 1 1 1 A 76 76 TRP C C 76 178.579 179.020 -0.441 1
1 894 . 1 1 1 A 77 77 GLY N N 77 107.789 108.080 -0.291 1
1 895 . 1 1 1 A 77 77 GLY H H 77 8.954 9.148 -0.194 1
1 896 . 1 1 1 A 77 77 GLY CA C 77 47.600 47.461 0.139 1
1 897 . 1 1 1 A 77 77 GLY HA2 H 77 4.122 3.796 0.326 1
1 898 . 1 1 1 A 77 77 GLY HA3 H 77 3.977 3.804 0.173 1
1 899 . 1 1 1 A 77 77 GLY C C 77 176.076 176.461 -0.385 1
1 900 . 1 1 1 A 78 78 HIS N N 78 122.925 120.208 2.717 1
1 901 . 1 1 1 A 78 78 HIS H H 78 8.127 8.226 -0.099 1
1 902 . 1 1 1 A 78 78 HIS CA C 78 61.550 58.406 3.144 1
1 903 . 1 1 1 A 78 78 HIS HA H 78 4.206 4.846 -0.640 1
1 904 . 1 1 1 A 78 78 HIS CB C 78 30.794 29.389 1.405 1
1 911 . 1 1 1 A 78 78 HIS C C 78 177.572 177.939 -0.367 1
1 912 . 1 1 1 A 79 79 LEU N N 79 120.009 120.634 -0.625 1
1 913 . 1 1 1 A 79 79 LEU H H 79 8.726 8.114 0.612 1
1 914 . 1 1 1 A 79 79 LEU CA C 79 58.252 57.708 0.544 1
1 915 . 1 1 1 A 79 79 LEU HA H 79 4.227 3.961 0.266 1
1 916 . 1 1 1 A 79 79 LEU CB C 79 43.075 41.564 1.511 1
1 929 . 1 1 1 A 79 79 LEU C C 79 181.067 178.495 2.572 1
1 930 . 1 1 1 A 80 80 ASN N N 80 119.257 117.032 2.225 1
1 931 . 1 1 1 A 80 80 ASN H H 80 9.270 7.757 1.513 1
1 932 . 1 1 1 A 80 80 ASN CA C 80 57.279 55.802 1.477 1
1 933 . 1 1 1 A 80 80 ASN HA H 80 4.595 4.620 -0.025 1
1 934 . 1 1 1 A 80 80 ASN CB C 80 40.403 38.990 1.413 1
1 940 . 1 1 1 A 80 80 ASN C C 80 177.177 176.503 0.674 1
1 941 . 1 1 1 A 81 81 ARG N N 81 115.731 117.174 -1.443 1
1 942 . 1 1 1 A 81 81 ARG H H 81 8.085 8.332 -0.247 1
1 943 . 1 1 1 A 81 81 ARG CA C 81 59.249 55.727 3.522 1
1 944 . 1 1 1 A 81 81 ARG HA H 81 4.167 4.624 -0.457 1
1 945 . 1 1 1 A 81 81 ARG CB C 81 31.579 30.997 0.582 1
1 954 . 1 1 1 A 81 81 ARG C C 81 177.890 176.751 1.139 1
1 955 . 1 1 1 A 82 82 LYS N N 82 113.840 117.361 -3.521 1
1 956 . 1 1 1 A 82 82 LYS H H 82 8.691 7.805 0.886 1
1 957 . 1 1 1 A 82 82 LYS CA C 82 56.216 56.834 -0.618 1
1 958 . 1 1 1 A 82 82 LYS HA H 82 4.441 4.465 -0.024 1
1 959 . 1 1 1 A 82 82 LYS CB C 82 32.964 34.570 -1.606 1
1 971 . 1 1 1 A 82 82 LYS C C 82 177.543 177.300 0.243 1
1 972 . 1 1 1 A 83 83 VAL N N 83 117.873 118.134 -0.261 1
1 973 . 1 1 1 A 83 83 VAL H H 83 7.786 7.881 -0.095 1
1 974 . 1 1 1 A 83 83 VAL CA C 83 64.939 64.380 0.559 1
1 975 . 1 1 1 A 83 83 VAL HA H 83 4.235 4.154 0.081 1
1 976 . 1 1 1 A 83 83 VAL CB C 83 34.046 32.089 1.957 1
1 986 . 1 1 1 A 83 83 VAL C C 83 176.945 177.841 -0.896 1
1 987 . 1 1 1 A 84 84 LEU N N 84 118.163 119.709 -1.546 1
1 988 . 1 1 1 A 84 84 LEU H H 84 9.200 8.302 0.898 1
1 989 . 1 1 1 A 84 84 LEU CA C 84 58.824 58.386 0.438 1
1 990 . 1 1 1 A 84 84 LEU HA H 84 3.898 3.951 -0.053 1
1 991 . 1 1 1 A 84 84 LEU CB C 84 38.418 41.761 -3.343 1
1 1004 . 1 1 1 A 84 84 LEU C C 84 179.874 178.831 1.043 1
1 1005 . 1 1 1 A 85 85 LYS N N 85 117.114 119.057 -1.943 1
1 1006 . 1 1 1 A 85 85 LYS H H 85 7.303 7.935 -0.632 1
1 1007 . 1 1 1 A 85 85 LYS CA C 85 59.436 59.986 -0.550 1
1 1008 . 1 1 1 A 85 85 LYS HA H 85 4.191 3.966 0.225 1
1 1009 . 1 1 1 A 85 85 LYS CB C 85 33.096 32.618 0.478 1
1 1021 . 1 1 1 A 85 85 LYS C C 85 180.286 178.914 1.372 1
1 1022 . 1 1 1 A 86 86 ARG N N 86 117.181 119.101 -1.920 1
1 1023 . 1 1 1 A 86 86 ARG H H 86 7.216 8.305 -1.089 1
1 1024 . 1 1 1 A 86 86 ARG CA C 86 57.924 58.879 -0.955 1
1 1025 . 1 1 1 A 86 86 ARG HA H 86 4.191 4.093 0.098 1
1 1026 . 1 1 1 A 86 86 ARG CB C 86 29.848 30.213 -0.365 1
1 1035 . 1 1 1 A 86 86 ARG C C 86 177.047 178.160 -1.113 1
1 1036 . 1 1 1 A 87 87 LEU N N 87 118.282 117.893 0.389 1
1 1037 . 1 1 1 A 87 87 LEU H H 87 7.584 8.245 -0.661 1
1 1038 . 1 1 1 A 87 87 LEU CA C 87 53.603 54.566 -0.963 1
1 1039 . 1 1 1 A 87 87 LEU HA H 87 4.339 4.423 -0.084 1
1 1040 . 1 1 1 A 87 87 LEU CB C 87 42.059 42.014 0.045 1
1 1053 . 1 1 1 A 87 87 LEU C C 87 175.182 176.240 -1.058 1
1 1054 . 1 1 1 A 88 88 ASN N N 88 115.016 116.969 -1.953 1
1 1055 . 1 1 1 A 88 88 ASN H H 88 7.932 8.278 -0.346 1
1 1056 . 1 1 1 A 88 88 ASN CA C 88 54.081 54.441 -0.360 1
1 1057 . 1 1 1 A 88 88 ASN HA H 88 4.384 4.415 -0.031 1
1 1058 . 1 1 1 A 88 88 ASN CB C 88 36.809 37.504 -0.695 1
1 1064 . 1 1 1 A 88 88 ASN C C 88 173.426 174.748 -1.322 1
1 1065 . 1 1 1 A 89 89 PHE N N 89 119.795 119.457 0.338 1
1 1066 . 1 1 1 A 89 89 PHE H H 89 7.739 7.912 -0.173 1
1 1067 . 1 1 1 A 89 89 PHE CA C 89 56.231 57.443 -1.212 1
1 1068 . 1 1 1 A 89 89 PHE HA H 89 4.887 4.869 0.018 1
1 1069 . 1 1 1 A 89 89 PHE CB C 89 43.188 41.009 2.179 1
1 1082 . 1 1 1 A 89 89 PHE C C 89 172.386 174.406 -2.020 1
1 1083 . 1 1 1 A 90 90 SER N N 90 117.020 123.766 -6.746 1
1 1084 . 1 1 1 A 90 90 SER H H 90 7.301 8.342 -1.041 1
1 1085 . 1 1 1 A 90 90 SER CA C 90 56.762 57.054 -0.292 1
1 1086 . 1 1 1 A 90 90 SER HA H 90 4.667 5.606 -0.939 1
1 1087 . 1 1 1 A 90 90 SER CB C 90 64.885 65.983 -1.098 1
1 1090 . 1 1 1 A 90 90 SER C C 90 172.726 172.920 -0.194 1
1 1091 . 1 1 1 A 91 91 VAL N N 91 126.604 122.516 4.088 1
1 1092 . 1 1 1 A 91 91 VAL H H 91 8.959 8.846 0.113 1
1 1093 . 1 1 1 A 91 91 VAL CA C 91 59.173 58.959 0.214 1
1 1094 . 1 1 1 A 91 91 VAL HA H 91 4.336 4.555 -0.219 1
1 1095 . 1 1 1 A 91 91 VAL CB C 91 33.703 35.969 -2.266 1
1 1105 . 1 1 1 A 91 91 VAL C C 91 173.886 173.532 0.354 1
1 1106 . 1 1 1 A 92 92 PRO CA C 92 62.618 62.611 0.007 1
1 1107 . 1 1 1 A 92 92 PRO HA H 92 4.481 4.611 -0.130 1
1 1108 . 1 1 1 A 92 92 PRO CB C 92 33.302 32.733 0.569 1
1 1117 . 1 1 1 A 92 92 PRO C C 92 177.410 177.280 0.130 1
1 1118 . 1 1 1 A 93 93 ASP N N 93 123.319 122.920 0.399 1
1 1119 . 1 1 1 A 93 93 ASP H H 93 8.854 8.785 0.069 1
1 1120 . 1 1 1 A 93 93 ASP CA C 93 58.347 57.180 1.167 1
1 1121 . 1 1 1 A 93 93 ASP HA H 93 4.298 4.315 -0.017 1
1 1122 . 1 1 1 A 93 93 ASP CB C 93 40.916 39.837 1.079 1
1 1125 . 1 1 1 A 93 93 ASP C C 93 178.221 177.779 0.442 1
1 1126 . 1 1 1 A 94 94 ASP N N 94 116.740 121.168 -4.428 1
1 1127 . 1 1 1 A 94 94 ASP H H 94 8.955 8.116 0.839 1
1 1128 . 1 1 1 A 94 94 ASP CA C 94 56.851 57.627 -0.776 1
1 1129 . 1 1 1 A 94 94 ASP HA H 94 4.222 4.200 0.022 1
1 1130 . 1 1 1 A 94 94 ASP CB C 94 39.733 40.624 -0.891 1
1 1133 . 1 1 1 A 94 94 ASP C C 94 178.344 178.731 -0.387 1
1 1134 . 1 1 1 A 95 95 VAL N N 95 121.559 119.827 1.732 1
1 1135 . 1 1 1 A 95 95 VAL H H 95 6.935 8.004 -1.069 1
1 1136 . 1 1 1 A 95 95 VAL CA C 95 66.007 66.481 -0.474 1
1 1137 . 1 1 1 A 95 95 VAL HA H 95 3.378 3.345 0.033 1
1 1138 . 1 1 1 A 95 95 VAL CB C 95 31.712 31.506 0.206 1
1 1148 . 1 1 1 A 95 95 VAL C C 95 177.153 177.657 -0.504 1
1 1149 . 1 1 1 A 96 96 MET N N 96 118.492 117.247 1.245 1
1 1150 . 1 1 1 A 96 96 MET H H 96 7.993 7.815 0.178 1
1 1151 . 1 1 1 A 96 96 MET CA C 96 60.318 58.504 1.814 1
1 1152 . 1 1 1 A 96 96 MET HA H 96 3.037 3.850 -0.813 1
1 1153 . 1 1 1 A 96 96 MET CB C 96 33.348 32.366 0.982 1
1 1163 . 1 1 1 A 96 96 MET C C 96 176.993 178.859 -1.866 1
1 1164 . 1 1 1 A 97 97 ARG N N 97 116.593 118.835 -2.242 1
1 1165 . 1 1 1 A 97 97 ARG H H 97 7.668 8.212 -0.544 1
1 1166 . 1 1 1 A 97 97 ARG CA C 97 60.372 59.815 0.557 1
1 1167 . 1 1 1 A 97 97 ARG HA H 97 3.772 3.937 -0.165 1
1 1168 . 1 1 1 A 97 97 ARG CB C 97 29.627 29.921 -0.294 1
1 1177 . 1 1 1 A 97 97 ARG C C 97 177.718 178.717 -0.999 1
1 1178 . 1 1 1 A 98 98 LYS N N 98 118.000 118.965 -0.965 1
1 1179 . 1 1 1 A 98 98 LYS H H 98 7.279 7.739 -0.460 1
1 1180 . 1 1 1 A 98 98 LYS CA C 98 59.942 59.211 0.731 1
1 1181 . 1 1 1 A 98 98 LYS HA H 98 4.035 3.983 0.052 1
1 1182 . 1 1 1 A 98 98 LYS CB C 98 33.307 32.024 1.283 1
1 1194 . 1 1 1 A 98 98 LYS C C 98 178.861 179.014 -0.153 1
1 1195 . 1 1 1 A 99 99 ILE N N 99 119.736 120.976 -1.240 1
1 1196 . 1 1 1 A 99 99 ILE H H 99 8.298 7.799 0.499 1
1 1197 . 1 1 1 A 99 99 ILE CA C 99 65.451 65.438 0.013 1
1 1198 . 1 1 1 A 99 99 ILE HA H 99 3.473 3.505 -0.032 1
1 1199 . 1 1 1 A 99 99 ILE CB C 99 38.088 37.205 0.883 1
1 1212 . 1 1 1 A 99 99 ILE C C 99 181.472 177.607 3.865 1
1 1213 . 1 1 1 A 100 100 ALA N N 100 124.832 121.232 3.600 1
1 1214 . 1 1 1 A 100 100 ALA H H 100 8.473 7.942 0.531 1
1 1215 . 1 1 1 A 100 100 ALA CA C 100 54.623 54.403 0.220 1
1 1216 . 1 1 1 A 100 100 ALA HA H 100 4.481 4.037 0.444 1
1 1217 . 1 1 1 A 100 100 ALA CB C 100 19.106 18.457 0.649 1
1 1221 . 1 1 1 A 100 100 ALA C C 100 177.755 179.045 -1.290 1
1 1222 . 1 1 1 A 101 101 GLN N N 101 113.891 114.831 -0.940 1
1 1223 . 1 1 1 A 101 101 GLN H H 101 7.665 7.138 0.527 1
1 1224 . 1 1 1 A 101 101 GLN CA C 101 55.681 55.369 0.312 1
1 1225 . 1 1 1 A 101 101 GLN HA H 101 4.378 4.450 -0.072 1
1 1226 . 1 1 1 A 101 101 GLN CB C 101 28.879 28.505 0.374 1
1 1235 . 1 1 1 A 101 101 GLN C C 101 175.604 175.043 0.561 1
1 1236 . 1 1 1 A 102 102 CYS N N 102 114.274 117.830 -3.556 1
1 1237 . 1 1 1 A 102 102 CYS H H 102 8.300 7.858 0.442 1
1 1238 . 1 1 1 A 102 102 CYS CA C 102 58.700 59.880 -1.180 1
1 1239 . 1 1 1 A 102 102 CYS HA H 102 4.030 4.115 -0.085 1
1 1240 . 1 1 1 A 102 102 CYS CB C 102 24.987 26.023 -1.036 1
1 1243 . 1 1 1 A 102 102 CYS C C 102 174.186 173.625 0.561 1
1 1244 . 1 1 1 A 103 103 ALA N N 103 123.512 121.634 1.878 1
1 1245 . 1 1 1 A 103 103 ALA H H 103 8.175 7.398 0.777 1
1 1246 . 1 1 1 A 103 103 ALA CA C 103 50.841 50.191 0.650 1
1 1247 . 1 1 1 A 103 103 ALA HA H 103 4.458 4.520 -0.062 1
1 1248 . 1 1 1 A 103 103 ALA CB C 103 18.353 19.720 -1.367 1
1 1252 . 1 1 1 A 103 103 ALA C C 103 175.904 176.212 -0.308 1
1 1253 . 1 1 1 A 104 104 PRO CA C 104 64.290 63.785 0.505 1
1 1254 . 1 1 1 A 104 104 PRO HA H 104 4.315 4.323 -0.008 1
1 1255 . 1 1 1 A 104 104 PRO CB C 104 32.028 31.341 0.687 1
1 1264 . 1 1 1 A 104 104 PRO C C 104 178.173 177.533 0.640 1
1 1265 . 1 1 1 A 105 105 GLY N N 105 113.466 112.340 1.126 1
1 1266 . 1 1 1 A 105 105 GLY H H 105 9.036 8.811 0.225 1
1 1267 . 1 1 1 A 105 105 GLY CA C 105 45.935 45.544 0.391 1
1 1268 . 1 1 1 A 105 105 GLY HA2 H 105 4.044 3.935 0.109 1
1 1269 . 1 1 1 A 105 105 GLY HA3 H 105 3.832 3.959 -0.127 1
1 1270 . 1 1 1 A 105 105 GLY C C 105 174.928 175.938 -1.010 1
1 1271 . 1 1 1 A 106 106 VAL N N 106 117.991 121.175 -3.184 1
1 1272 . 1 1 1 A 106 106 VAL H H 106 6.964 8.077 -1.113 1
1 1273 . 1 1 1 A 106 106 VAL CA C 106 66.071 65.924 0.147 1
1 1274 . 1 1 1 A 106 106 VAL HA H 106 3.842 3.681 0.161 1
1 1275 . 1 1 1 A 106 106 VAL CB C 106 31.337 31.552 -0.215 1
1 1285 . 1 1 1 A 106 106 VAL C C 106 178.061 177.444 0.617 1
1 1286 . 1 1 1 A 107 107 VAL N N 107 121.474 120.610 0.864 1
1 1287 . 1 1 1 A 107 107 VAL H H 107 9.039 7.682 1.357 1
1 1288 . 1 1 1 A 107 107 VAL CA C 107 65.971 64.874 1.097 1
1 1289 . 1 1 1 A 107 107 VAL HA H 107 3.743 3.614 0.129 1
1 1290 . 1 1 1 A 107 107 VAL CB C 107 30.959 30.914 0.045 1
1 1300 . 1 1 1 A 107 107 VAL C C 107 177.629 177.483 0.146 1
1 1301 . 1 1 1 A 108 108 GLU N N 108 126.242 121.256 4.986 1
1 1302 . 1 1 1 A 108 108 GLU H H 108 11.107 8.132 2.975 1
1 1303 . 1 1 1 A 108 108 GLU CA C 108 62.429 58.829 3.600 1
1 1304 . 1 1 1 A 108 108 GLU HA H 108 3.584 4.046 -0.462 1
1 1305 . 1 1 1 A 108 108 GLU CB C 108 28.863 29.619 -0.756 1
1 1311 . 1 1 1 A 108 108 GLU C C 108 176.878 179.287 -2.409 1
1 1312 . 1 1 1 A 109 109 LEU N N 109 114.111 119.540 -5.429 1
1 1313 . 1 1 1 A 109 109 LEU H H 109 7.474 8.245 -0.771 1
1 1314 . 1 1 1 A 109 109 LEU CA C 109 56.293 57.206 -0.913 1
1 1315 . 1 1 1 A 109 109 LEU HA H 109 4.024 4.133 -0.109 1
1 1316 . 1 1 1 A 109 109 LEU CB C 109 40.846 41.607 -0.761 1
1 1329 . 1 1 1 A 109 109 LEU C C 109 178.647 178.006 0.641 1
1 1330 . 1 1 1 A 110 110 VAL N N 110 116.984 117.971 -0.987 1
1 1331 . 1 1 1 A 110 110 VAL H H 110 7.557 7.440 0.117 1
1 1332 . 1 1 1 A 110 110 VAL CA C 110 64.274 64.271 0.003 1
1 1333 . 1 1 1 A 110 110 VAL HA H 110 4.206 4.173 0.033 1
1 1334 . 1 1 1 A 110 110 VAL CB C 110 33.070 32.528 0.542 1
1 1344 . 1 1 1 A 110 110 VAL C C 110 176.435 177.390 -0.955 1
1 1345 . 1 1 1 A 111 111 LEU N N 111 118.461 120.777 -2.316 1
1 1346 . 1 1 1 A 111 111 LEU H H 111 8.453 7.709 0.744 1
1 1347 . 1 1 1 A 111 111 LEU CA C 111 58.047 57.699 0.348 1
1 1348 . 1 1 1 A 111 111 LEU HA H 111 4.003 4.004 -0.001 1
1 1349 . 1 1 1 A 111 111 LEU CB C 111 43.552 41.419 2.133 1
1 1362 . 1 1 1 A 111 111 LEU C C 111 177.274 179.242 -1.968 1
1 1363 . 1 1 1 A 112 112 ILE N N 112 115.835 119.500 -3.665 1
1 1364 . 1 1 1 A 112 112 ILE H H 112 7.850 7.861 -0.011 1
1 1365 . 1 1 1 A 112 112 ILE CA C 112 67.843 66.367 1.476 1
1 1366 . 1 1 1 A 112 112 ILE HA H 112 3.636 3.622 0.014 1
1 1367 . 1 1 1 A 112 112 ILE CB C 112 36.504 35.753 0.751 1
1 1380 . 1 1 1 A 112 112 ILE C C 112 176.487 175.041 1.446 1
1 1381 . 1 1 1 A 113 113 PRO CA C 113 64.872 65.394 -0.522 1
1 1382 . 1 1 1 A 113 113 PRO HA H 113 4.420 4.299 0.121 1
1 1383 . 1 1 1 A 113 113 PRO CB C 113 30.348 30.732 -0.384 1
1 1392 . 1 1 1 A 113 113 PRO C C 113 179.001 178.758 0.243 1
1 1393 . 1 1 1 A 114 114 LEU N N 114 120.690 117.797 2.893 1
1 1394 . 1 1 1 A 114 114 LEU H H 114 7.672 7.621 0.051 1
1 1395 . 1 1 1 A 114 114 LEU CA C 114 58.337 57.793 0.544 1
1 1396 . 1 1 1 A 114 114 LEU HA H 114 3.490 3.845 -0.355 1
1 1397 . 1 1 1 A 114 114 LEU CB C 114 41.840 41.380 0.460 1
1 1410 . 1 1 1 A 114 114 LEU C C 114 177.486 178.180 -0.694 1
1 1411 . 1 1 1 A 115 115 ARG N N 115 119.039 118.942 0.097 1
1 1412 . 1 1 1 A 115 115 ARG H H 115 8.159 7.658 0.501 1
1 1413 . 1 1 1 A 115 115 ARG CA C 115 60.199 59.642 0.557 1
1 1414 . 1 1 1 A 115 115 ARG HA H 115 3.215 3.641 -0.426 1
1 1415 . 1 1 1 A 115 115 ARG CB C 115 28.049 29.132 -1.083 1
1 1426 . 1 1 1 A 115 115 ARG C C 115 177.460 178.480 -1.020 1
1 1427 . 1 1 1 A 116 116 GLN N N 116 115.221 118.223 -3.002 1
1 1428 . 1 1 1 A 116 116 GLN H H 116 6.825 7.579 -0.754 1
1 1429 . 1 1 1 A 116 116 GLN CA C 116 58.838 58.851 -0.013 1
1 1430 . 1 1 1 A 116 116 GLN HA H 116 3.830 3.961 -0.131 1
1 1431 . 1 1 1 A 116 116 GLN CB C 116 27.871 28.286 -0.415 1
1 1440 . 1 1 1 A 116 116 GLN C C 116 178.648 178.905 -0.257 1
1 1441 . 1 1 1 A 117 117 ARG N N 117 118.476 119.753 -1.277 1
1 1442 . 1 1 1 A 117 117 ARG H H 117 8.028 7.780 0.248 1
1 1443 . 1 1 1 A 117 117 ARG CA C 117 57.607 59.192 -1.585 1
1 1444 . 1 1 1 A 117 117 ARG HA H 117 4.117 4.092 0.025 1
1 1445 . 1 1 1 A 117 117 ARG CB C 117 30.040 30.213 -0.173 1
1 1454 . 1 1 1 A 117 117 ARG C C 117 179.370 178.426 0.944 1
1 1455 . 1 1 1 A 118 118 LEU N N 118 120.407 120.221 0.186 1
1 1456 . 1 1 1 A 118 118 LEU H H 118 8.533 7.976 0.557 1
1 1457 . 1 1 1 A 118 118 LEU CA C 118 58.295 57.846 0.449 1
1 1458 . 1 1 1 A 118 118 LEU HA H 118 3.950 4.081 -0.131 1
1 1459 . 1 1 1 A 118 118 LEU CB C 118 40.472 41.309 -0.837 1
1 1472 . 1 1 1 A 118 118 LEU C C 118 178.577 179.090 -0.513 1
1 1473 . 1 1 1 A 119 119 GLU N N 119 116.858 117.640 -0.782 1
1 1474 . 1 1 1 A 119 119 GLU H H 119 8.220 7.959 0.261 1
1 1475 . 1 1 1 A 119 119 GLU CA C 119 59.441 60.042 -0.601 1
1 1476 . 1 1 1 A 119 119 GLU HA H 119 4.047 4.029 0.018 1
1 1477 . 1 1 1 A 119 119 GLU CB C 119 29.271 29.421 -0.150 1
1 1483 . 1 1 1 A 119 119 GLU C C 119 179.631 179.509 0.122 1
1 1484 . 1 1 1 A 120 120 GLU N N 120 119.797 119.651 0.146 1
1 1485 . 1 1 1 A 120 120 GLU H H 120 8.199 8.608 -0.409 1
1 1486 . 1 1 1 A 120 120 GLU CA C 120 59.223 59.482 -0.259 1
1 1487 . 1 1 1 A 120 120 GLU HA H 120 4.062 4.060 0.002 1
1 1488 . 1 1 1 A 120 120 GLU CB C 120 29.562 29.442 0.120 1
1 1494 . 1 1 1 A 120 120 GLU C C 120 178.823 178.846 -0.023 1
1 1495 . 1 1 1 A 121 121 ARG N N 121 118.760 119.837 -1.077 1
1 1496 . 1 1 1 A 121 121 ARG H H 121 7.928 7.971 -0.043 1
1 1497 . 1 1 1 A 121 121 ARG CA C 121 58.065 59.041 -0.976 1
1 1498 . 1 1 1 A 121 121 ARG HA H 121 4.136 4.183 -0.047 1
1 1499 . 1 1 1 A 121 121 ARG CB C 121 29.478 30.054 -0.576 1
1 1508 . 1 1 1 A 121 121 ARG C C 121 178.426 178.797 -0.371 1
1 1509 . 1 1 1 A 122 122 GLN N N 122 119.430 119.556 -0.126 1
1 1510 . 1 1 1 A 122 122 GLN H H 122 8.323 8.007 0.316 1
1 1511 . 1 1 1 A 122 122 GLN CA C 122 58.489 59.192 -0.703 1
1 1512 . 1 1 1 A 122 122 GLN HA H 122 4.352 4.223 0.129 1
1 1513 . 1 1 1 A 122 122 GLN CB C 122 29.611 29.131 0.480 1
1 1522 . 1 1 1 A 122 122 GLN C C 122 177.291 178.030 -0.739 1
1 1523 . 1 1 1 A 123 123 ARG N N 123 118.341 118.046 0.295 1
1 1524 . 1 1 1 A 123 123 ARG H H 123 7.920 8.197 -0.277 1
1 1525 . 1 1 1 A 123 123 ARG CA C 123 57.695 59.060 -1.365 1
1 1526 . 1 1 1 A 123 123 ARG HA H 123 4.266 4.140 0.126 1
1 1527 . 1 1 1 A 123 123 ARG CB C 123 30.671 30.119 0.552 1
1 1536 . 1 1 1 A 123 123 ARG C C 123 177.214 176.843 0.371 1
1 1537 . 1 1 1 A 124 124 ARG N N 124 119.452 120.495 -1.043 1
1 1538 . 1 1 1 A 124 124 ARG H H 124 7.850 7.441 0.409 1
1 1539 . 1 1 1 A 124 124 ARG CA C 124 56.814 57.127 -0.313 1
1 1540 . 1 1 1 A 124 124 ARG HA H 124 4.300 4.295 0.005 1
1 1541 . 1 1 1 A 124 124 ARG CB C 124 30.672 30.497 0.175 1
1 1550 . 1 1 1 A 124 124 ARG C C 124 176.540 176.150 0.390 1
1 1551 . 1 1 1 A 125 125 ARG N N 125 120.963 124.304 -3.341 1
1 1552 . 1 1 1 A 125 125 ARG H H 125 8.081 8.546 -0.465 1
1 1553 . 1 1 1 A 125 125 ARG CA C 125 56.514 55.258 1.256 1
1 1554 . 1 1 1 A 125 125 ARG HA H 125 4.355 4.451 -0.096 1
1 1555 . 1 1 1 A 125 125 ARG CB C 125 30.694 28.826 1.868 1
1 1564 . 1 1 1 A 125 125 ARG C C 125 176.133 174.981 1.152 1
1 1565 . 1 1 1 A 126 126 LYS N N 126 122.811 123.883 -1.072 1
1 1566 . 1 1 1 A 126 126 LYS H H 126 8.252 8.144 0.108 1
1 1567 . 1 1 1 A 126 126 LYS CA C 126 56.430 56.533 -0.103 1
1 1568 . 1 1 1 A 126 126 LYS HA H 126 4.351 4.508 -0.157 1
1 1569 . 1 1 1 A 126 126 LYS CB C 126 33.017 32.971 0.046 1
1 1581 . 1 1 1 A 126 126 LYS C C 126 175.649 175.615 0.034 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.715 58.649 0.066 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.472 4.539 -0.067 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.934 63.880 0.054 1
1 6 . 2 1 1 A 6 6 SER C C 6 174.927 174.918 0.009 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.435 108.773 1.662 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.348 7.386 0.962 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.364 45.620 -0.256 1
1 10 . 2 1 1 A 7 7 GLY HA2 H 7 3.919 4.081 -0.162 1
1 11 . 2 1 1 A 7 7 GLY HA3 H 7 3.919 4.082 -0.163 1
1 12 . 2 1 1 A 7 7 GLY C C 7 173.952 174.075 -0.123 1
1 13 . 2 1 1 A 8 8 MET N N 8 119.481 116.270 3.211 1
1 14 . 2 1 1 A 8 8 MET H H 8 8.163 8.443 -0.280 1
1 15 . 2 1 1 A 8 8 MET CA C 8 55.472 56.697 -1.225 1
1 16 . 2 1 1 A 8 8 MET HA H 8 4.486 4.057 0.429 1
1 17 . 2 1 1 A 8 8 MET CB C 8 33.598 31.125 2.473 1
1 27 . 2 1 1 A 8 8 MET C C 8 176.019 174.776 1.243 1
1 28 . 2 1 1 A 9 9 ALA N N 9 125.433 121.542 3.891 1
1 29 . 2 1 1 A 9 9 ALA H H 9 8.436 7.797 0.639 1
1 30 . 2 1 1 A 9 9 ALA CA C 9 52.481 50.591 1.890 1
1 31 . 2 1 1 A 9 9 ALA HA H 9 4.381 4.735 -0.354 1
1 32 . 2 1 1 A 9 9 ALA CB C 9 19.322 19.508 -0.186 1
1 36 . 2 1 1 A 9 9 ALA C C 9 177.349 175.975 1.374 1
1 37 . 2 1 1 A 10 10 SER N N 10 114.383 118.014 -3.631 1
1 38 . 2 1 1 A 10 10 SER H H 10 8.372 8.624 -0.252 1
1 39 . 2 1 1 A 10 10 SER CA C 10 58.607 56.754 1.853 1
1 40 . 2 1 1 A 10 10 SER HA H 10 4.470 4.854 -0.384 1
1 41 . 2 1 1 A 10 10 SER CB C 10 63.979 65.440 -1.461 1
1 44 . 2 1 1 A 10 10 SER C C 10 174.323 172.617 1.706 1
1 45 . 2 1 1 A 11 11 SER N N 11 116.549 118.306 -1.757 1
1 46 . 2 1 1 A 11 11 SER H H 11 8.111 8.718 -0.607 1
1 47 . 2 1 1 A 11 11 SER CA C 11 58.189 57.766 0.423 1
1 48 . 2 1 1 A 11 11 SER HA H 11 4.487 4.768 -0.281 1
1 49 . 2 1 1 A 11 11 SER CB C 11 64.081 64.882 -0.801 1
1 52 . 2 1 1 A 11 11 SER C C 11 173.692 174.130 -0.438 1
1 53 . 2 1 1 A 12 12 VAL N N 12 120.502 122.830 -2.328 1
1 54 . 2 1 1 A 12 12 VAL H H 12 8.207 8.433 -0.226 1
1 55 . 2 1 1 A 12 12 VAL CA C 12 61.847 61.291 0.556 1
1 56 . 2 1 1 A 12 12 VAL HA H 12 4.150 4.480 -0.330 1
1 57 . 2 1 1 A 12 12 VAL CB C 12 33.269 31.703 1.566 1
1 67 . 2 1 1 A 12 12 VAL C C 12 174.930 175.231 -0.301 1
1 68 . 2 1 1 A 13 13 ASP N N 13 124.104 124.084 0.020 1
1 69 . 2 1 1 A 13 13 ASP H H 13 7.953 7.740 0.213 1
1 70 . 2 1 1 A 13 13 ASP CA C 13 53.249 54.102 -0.853 1
1 71 . 2 1 1 A 13 13 ASP HA H 13 4.661 4.586 0.075 1
1 72 . 2 1 1 A 13 13 ASP CB C 13 41.891 42.143 -0.252 1
1 75 . 2 1 1 A 13 13 ASP C C 13 176.009 177.371 -1.362 1
1 76 . 2 1 1 A 14 14 GLU N N 14 120.197 124.089 -3.892 1
1 77 . 2 1 1 A 14 14 GLU H H 14 8.568 8.917 -0.349 1
1 78 . 2 1 1 A 14 14 GLU CA C 14 59.932 59.274 0.658 1
1 79 . 2 1 1 A 14 14 GLU HA H 14 3.944 4.021 -0.077 1
1 80 . 2 1 1 A 14 14 GLU CB C 14 29.670 29.224 0.446 1
1 86 . 2 1 1 A 14 14 GLU C C 14 178.863 178.138 0.725 1
1 87 . 2 1 1 A 15 15 GLU N N 15 120.713 118.401 2.312 1
1 88 . 2 1 1 A 15 15 GLU H H 15 8.312 8.431 -0.119 1
1 89 . 2 1 1 A 15 15 GLU CA C 15 59.101 59.536 -0.435 1
1 90 . 2 1 1 A 15 15 GLU HA H 15 4.244 4.148 0.096 1
1 91 . 2 1 1 A 15 15 GLU CB C 15 28.917 29.212 -0.295 1
1 97 . 2 1 1 A 15 15 GLU C C 15 178.511 179.163 -0.652 1
1 98 . 2 1 1 A 16 16 ALA N N 16 123.041 122.256 0.785 1
1 99 . 2 1 1 A 16 16 ALA H H 16 8.047 8.072 -0.025 1
1 100 . 2 1 1 A 16 16 ALA CA C 16 54.830 55.147 -0.317 1
1 101 . 2 1 1 A 16 16 ALA HA H 16 4.093 4.113 -0.020 1
1 102 . 2 1 1 A 16 16 ALA CB C 16 18.371 18.630 -0.259 1
1 106 . 2 1 1 A 16 16 ALA C C 16 181.428 180.170 1.258 1
1 107 . 2 1 1 A 17 17 LEU N N 17 119.436 118.618 0.818 1
1 108 . 2 1 1 A 17 17 LEU H H 17 8.042 8.194 -0.152 1
1 109 . 2 1 1 A 17 17 LEU CA C 17 57.623 58.104 -0.481 1
1 110 . 2 1 1 A 17 17 LEU HA H 17 3.838 4.011 -0.173 1
1 111 . 2 1 1 A 17 17 LEU CB C 17 41.323 42.136 -0.813 1
1 124 . 2 1 1 A 17 17 LEU C C 17 177.590 179.054 -1.464 1
1 125 . 2 1 1 A 18 18 HIS N N 18 118.394 117.521 0.873 1
1 126 . 2 1 1 A 18 18 HIS H H 18 8.182 8.507 -0.325 1
1 127 . 2 1 1 A 18 18 HIS CA C 18 59.415 60.265 -0.850 1
1 128 . 2 1 1 A 18 18 HIS HA H 18 4.435 4.081 0.354 1
1 129 . 2 1 1 A 18 18 HIS CB C 18 29.560 29.700 -0.140 1
1 136 . 2 1 1 A 18 18 HIS C C 18 178.114 176.844 1.270 1
1 137 . 2 1 1 A 19 19 GLN N N 19 115.623 116.804 -1.181 1
1 138 . 2 1 1 A 19 19 GLN H H 19 8.178 7.998 0.180 1
1 139 . 2 1 1 A 19 19 GLN CA C 19 58.406 59.006 -0.600 1
1 140 . 2 1 1 A 19 19 GLN HA H 19 3.904 3.691 0.213 1
1 141 . 2 1 1 A 19 19 GLN CB C 19 28.118 28.388 -0.270 1
1 150 . 2 1 1 A 19 19 GLN C C 19 179.132 178.298 0.834 1
1 151 . 2 1 1 A 20 20 LEU N N 20 122.817 121.153 1.664 1
1 152 . 2 1 1 A 20 20 LEU H H 20 7.949 7.756 0.193 1
1 153 . 2 1 1 A 20 20 LEU CA C 20 58.278 57.705 0.573 1
1 154 . 2 1 1 A 20 20 LEU HA H 20 4.233 4.106 0.127 1
1 155 . 2 1 1 A 20 20 LEU CB C 20 40.850 41.881 -1.031 1
1 168 . 2 1 1 A 20 20 LEU C C 20 178.466 178.045 0.421 1
1 169 . 2 1 1 A 21 21 TYR N N 21 118.825 118.830 -0.005 1
1 170 . 2 1 1 A 21 21 TYR H H 21 8.376 8.456 -0.080 1
1 171 . 2 1 1 A 21 21 TYR CA C 21 60.605 60.942 -0.337 1
1 172 . 2 1 1 A 21 21 TYR HA H 21 4.286 4.305 -0.019 1
1 173 . 2 1 1 A 21 21 TYR CB C 21 36.667 38.315 -1.648 1
1 184 . 2 1 1 A 21 21 TYR C C 21 178.654 178.321 0.333 1
1 185 . 2 1 1 A 22 22 LEU N N 22 118.954 119.864 -0.910 1
1 186 . 2 1 1 A 22 22 LEU H H 22 7.869 8.663 -0.794 1
1 187 . 2 1 1 A 22 22 LEU CA C 22 57.887 58.254 -0.367 1
1 188 . 2 1 1 A 22 22 LEU HA H 22 4.076 3.891 0.185 1
1 189 . 2 1 1 A 22 22 LEU CB C 22 42.250 41.253 0.997 1
1 202 . 2 1 1 A 22 22 LEU C C 22 178.877 178.710 0.167 1
1 203 . 2 1 1 A 23 23 TRP N N 23 120.668 119.946 0.722 1
1 204 . 2 1 1 A 23 23 TRP H H 23 7.804 7.890 -0.086 1
1 205 . 2 1 1 A 23 23 TRP CA C 23 60.711 61.176 -0.465 1
1 206 . 2 1 1 A 23 23 TRP HA H 23 4.436 4.193 0.243 1
1 207 . 2 1 1 A 23 23 TRP CB C 23 28.035 29.953 -1.918 1
1 222 . 2 1 1 A 23 23 TRP C C 23 178.471 178.383 0.088 1
1 223 . 2 1 1 A 24 24 VAL N N 24 116.831 119.616 -2.785 1
1 224 . 2 1 1 A 24 24 VAL H H 24 8.503 8.040 0.463 1
1 225 . 2 1 1 A 24 24 VAL CA C 24 66.014 66.237 -0.223 1
1 226 . 2 1 1 A 24 24 VAL HA H 24 3.084 3.071 0.013 1
1 227 . 2 1 1 A 24 24 VAL CB C 24 31.826 31.649 0.177 1
1 237 . 2 1 1 A 24 24 VAL C C 24 178.212 177.375 0.837 1
1 238 . 2 1 1 A 25 25 ASP N N 25 117.894 120.076 -2.182 1
1 239 . 2 1 1 A 25 25 ASP H H 25 8.140 7.866 0.274 1
1 240 . 2 1 1 A 25 25 ASP CA C 25 57.043 57.543 -0.500 1
1 241 . 2 1 1 A 25 25 ASP HA H 25 4.290 4.275 0.015 1
1 242 . 2 1 1 A 25 25 ASP CB C 25 41.067 41.118 -0.051 1
1 245 . 2 1 1 A 25 25 ASP C C 25 177.163 178.022 -0.859 1
1 246 . 2 1 1 A 26 26 ASN N N 26 114.914 116.537 -1.623 1
1 247 . 2 1 1 A 26 26 ASN H H 26 7.229 7.808 -0.579 1
1 248 . 2 1 1 A 26 26 ASN CA C 26 53.375 55.837 -2.462 1
1 249 . 2 1 1 A 26 26 ASN HA H 26 4.607 4.443 0.164 1
1 250 . 2 1 1 A 26 26 ASN CB C 26 40.048 38.746 1.302 1
1 256 . 2 1 1 A 26 26 ASN C C 26 174.227 175.220 -0.993 1
1 257 . 2 1 1 A 27 27 ILE N N 27 123.268 119.304 3.964 1
1 258 . 2 1 1 A 27 27 ILE H H 27 7.212 7.825 -0.613 1
1 259 . 2 1 1 A 27 27 ILE CA C 27 58.327 58.416 -0.089 1
1 260 . 2 1 1 A 27 27 ILE HA H 27 3.628 4.023 -0.395 1
1 261 . 2 1 1 A 27 27 ILE CB C 27 39.403 37.747 1.656 1
1 274 . 2 1 1 A 27 27 ILE C C 27 173.764 174.763 -0.999 1
1 275 . 2 1 1 A 28 28 PRO CA C 28 62.584 62.384 0.200 1
1 276 . 2 1 1 A 28 28 PRO HA H 28 4.354 4.729 -0.375 1
1 277 . 2 1 1 A 28 28 PRO CB C 28 30.056 30.268 -0.212 1
1 286 . 2 1 1 A 28 28 PRO C C 28 175.419 175.879 -0.460 1
1 287 . 2 1 1 A 29 29 LEU N N 29 125.355 124.967 0.388 1
1 288 . 2 1 1 A 29 29 LEU H H 29 8.118 8.276 -0.158 1
1 289 . 2 1 1 A 29 29 LEU CA C 29 53.358 53.312 0.046 1
1 290 . 2 1 1 A 29 29 LEU HA H 29 4.748 4.866 -0.118 1
1 291 . 2 1 1 A 29 29 LEU CB C 29 45.279 44.546 0.733 1
1 304 . 2 1 1 A 29 29 LEU C C 29 178.577 175.958 2.619 1
1 305 . 2 1 1 A 31 31 ARG CA C 31 53.250 54.830 -1.580 1
1 306 . 2 1 1 A 31 31 ARG HA H 31 4.787 4.902 -0.115 1
1 307 . 2 1 1 A 31 31 ARG CB C 31 32.107 33.197 -1.090 1
1 316 . 2 1 1 A 32 32 PRO CA C 32 62.865 62.449 0.416 1
1 317 . 2 1 1 A 32 32 PRO HA H 32 4.300 4.616 -0.316 1
1 318 . 2 1 1 A 32 32 PRO CB C 32 32.193 32.517 -0.324 1
1 327 . 2 1 1 A 33 33 LYS CA C 33 56.154 59.882 -3.728 1
1 328 . 2 1 1 A 33 33 LYS HA H 33 4.361 3.892 0.469 1
1 329 . 2 1 1 A 33 33 LYS CB C 33 32.368 32.275 0.093 1
1 341 . 2 1 1 A 34 34 ARG N N 34 122.768 120.203 2.565 1
1 342 . 2 1 1 A 34 34 ARG H H 34 8.410 7.680 0.730 1
1 343 . 2 1 1 A 34 34 ARG HA H 34 4.336 4.118 0.218 1
1 344 . 2 1 1 A 34 34 ARG CB C 34 31.894 30.625 1.269 1
1 349 . 2 1 1 A 35 35 ASN CA C 35 53.153 54.098 -0.945 1
1 350 . 2 1 1 A 35 35 ASN HA H 35 4.771 4.570 0.201 1
1 351 . 2 1 1 A 35 35 ASN CB C 35 39.425 39.861 -0.436 1
1 357 . 2 1 1 A 36 36 LEU N N 36 110.943 125.519 -14.576 1
1 358 . 2 1 1 A 36 36 LEU H H 36 8.305 8.774 -0.469 1
1 359 . 2 1 1 A 36 36 LEU CA C 36 60.191 58.175 2.016 1
1 360 . 2 1 1 A 36 36 LEU HA H 36 4.140 4.034 0.106 1
1 361 . 2 1 1 A 36 36 LEU CB C 36 41.876 41.635 0.241 1
1 374 . 2 1 1 A 37 37 SER CA C 37 61.673 61.519 0.154 1
1 375 . 2 1 1 A 37 37 SER HA H 37 4.080 4.033 0.047 1
1 376 . 2 1 1 A 37 37 SER CB C 37 62.700 63.142 -0.442 1
1 379 . 2 1 1 A 38 38 ARG N N 38 119.288 121.369 -2.081 1
1 380 . 2 1 1 A 38 38 ARG H H 38 7.773 8.017 -0.244 1
1 381 . 2 1 1 A 38 38 ARG HA H 38 4.587 4.121 0.466 1
1 384 . 2 1 1 A 39 39 ASP N N 39 121.607 119.760 1.847 1
1 385 . 2 1 1 A 39 39 ASP H H 39 9.487 8.181 1.306 1
1 386 . 2 1 1 A 39 39 ASP CA C 39 58.026 57.283 0.743 1
1 387 . 2 1 1 A 39 39 ASP HA H 39 4.518 4.405 0.113 1
1 388 . 2 1 1 A 39 39 ASP CB C 39 40.039 41.385 -1.346 1
1 391 . 2 1 1 A 40 40 PHE N N 40 115.310 118.974 -3.664 1
1 392 . 2 1 1 A 40 40 PHE H H 40 8.300 8.760 -0.460 1
1 393 . 2 1 1 A 40 40 PHE CA C 40 59.420 60.330 -0.910 1
1 394 . 2 1 1 A 40 40 PHE HA H 40 4.605 4.352 0.253 1
1 395 . 2 1 1 A 40 40 PHE CB C 40 39.030 38.095 0.935 1
1 408 . 2 1 1 A 41 41 SER N N 41 115.417 114.290 1.127 1
1 409 . 2 1 1 A 41 41 SER H H 41 7.441 8.044 -0.603 1
1 410 . 2 1 1 A 41 41 SER CA C 41 62.290 61.416 0.874 1
1 411 . 2 1 1 A 41 41 SER HA H 41 4.341 4.266 0.075 1
1 412 . 2 1 1 A 41 41 SER CB C 41 64.510 63.123 1.387 1
1 415 . 2 1 1 A 42 42 ASP N N 42 117.563 116.932 0.631 1
1 416 . 2 1 1 A 42 42 ASP H H 42 8.726 8.048 0.678 1
1 417 . 2 1 1 A 42 42 ASP CA C 42 53.746 53.180 0.566 1
1 418 . 2 1 1 A 42 42 ASP HA H 42 4.780 5.218 -0.438 1
1 419 . 2 1 1 A 42 42 ASP CB C 42 42.695 42.563 0.132 1
1 422 . 2 1 1 A 42 42 ASP C C 42 176.013 176.494 -0.481 1
1 423 . 2 1 1 A 43 43 GLY N N 43 106.643 108.289 -1.646 1
1 424 . 2 1 1 A 43 43 GLY H H 43 7.388 8.515 -1.127 1
1 425 . 2 1 1 A 43 43 GLY CA C 43 45.230 46.665 -1.435 1
1 426 . 2 1 1 A 43 43 GLY HA2 H 43 3.131 2.644 0.487 1
1 427 . 2 1 1 A 43 43 GLY HA3 H 43 2.588 2.980 -0.392 1
1 428 . 2 1 1 A 43 43 GLY C C 43 173.476 175.258 -1.782 1
1 429 . 2 1 1 A 44 44 VAL N N 44 121.300 121.877 -0.577 1
1 430 . 2 1 1 A 44 44 VAL H H 44 7.874 7.955 -0.081 1
1 431 . 2 1 1 A 44 44 VAL CA C 44 67.198 66.466 0.732 1
1 432 . 2 1 1 A 44 44 VAL HA H 44 3.018 3.474 -0.456 1
1 433 . 2 1 1 A 44 44 VAL CB C 44 31.139 31.481 -0.342 1
1 443 . 2 1 1 A 44 44 VAL C C 44 177.853 177.965 -0.112 1
1 444 . 2 1 1 A 45 45 LEU N N 45 114.495 120.593 -6.098 1
1 445 . 2 1 1 A 45 45 LEU H H 45 8.945 8.187 0.758 1
1 446 . 2 1 1 A 45 45 LEU CA C 45 57.466 58.042 -0.576 1
1 447 . 2 1 1 A 45 45 LEU HA H 45 3.838 3.870 -0.032 1
1 448 . 2 1 1 A 45 45 LEU CB C 45 40.503 41.468 -0.965 1
1 461 . 2 1 1 A 45 45 LEU C C 45 179.257 178.510 0.747 1
1 462 . 2 1 1 A 46 46 VAL N N 46 118.354 119.235 -0.881 1
1 463 . 2 1 1 A 46 46 VAL H H 46 7.422 7.591 -0.169 1
1 464 . 2 1 1 A 46 46 VAL CA C 46 67.288 66.465 0.823 1
1 465 . 2 1 1 A 46 46 VAL HA H 46 3.469 3.252 0.217 1
1 466 . 2 1 1 A 46 46 VAL CB C 46 30.173 31.352 -1.179 1
1 476 . 2 1 1 A 46 46 VAL C C 46 176.954 177.841 -0.887 1
1 477 . 2 1 1 A 47 47 ALA N N 47 121.963 121.469 0.494 1
1 478 . 2 1 1 A 47 47 ALA H H 47 7.272 8.309 -1.037 1
1 479 . 2 1 1 A 47 47 ALA CA C 47 55.991 55.537 0.454 1
1 480 . 2 1 1 A 47 47 ALA HA H 47 3.576 3.776 -0.200 1
1 481 . 2 1 1 A 47 47 ALA CB C 47 17.292 18.336 -1.044 1
1 485 . 2 1 1 A 47 47 ALA C C 47 178.880 180.061 -1.181 1
1 486 . 2 1 1 A 48 48 GLU N N 48 116.763 118.361 -1.598 1
1 487 . 2 1 1 A 48 48 GLU H H 48 8.081 7.970 0.111 1
1 488 . 2 1 1 A 48 48 GLU CA C 48 60.605 59.446 1.159 1
1 489 . 2 1 1 A 48 48 GLU HA H 48 3.851 4.016 -0.165 1
1 490 . 2 1 1 A 48 48 GLU CB C 48 30.467 29.393 1.074 1
1 496 . 2 1 1 A 48 48 GLU C C 48 180.175 179.482 0.693 1
1 497 . 2 1 1 A 49 49 VAL N N 49 122.024 120.144 1.880 1
1 498 . 2 1 1 A 49 49 VAL H H 49 8.325 7.716 0.609 1
1 499 . 2 1 1 A 49 49 VAL CA C 49 67.146 66.606 0.540 1
1 500 . 2 1 1 A 49 49 VAL HA H 49 3.530 3.569 -0.039 1
1 501 . 2 1 1 A 49 49 VAL CB C 49 31.543 31.564 -0.021 1
1 511 . 2 1 1 A 49 49 VAL C C 49 177.168 178.651 -1.483 1
1 512 . 2 1 1 A 50 50 ILE N N 50 117.821 119.882 -2.061 1
1 513 . 2 1 1 A 50 50 ILE H H 50 7.947 7.719 0.228 1
1 514 . 2 1 1 A 50 50 ILE CA C 50 66.217 65.880 0.337 1
1 515 . 2 1 1 A 50 50 ILE HA H 50 3.757 3.595 0.162 1
1 516 . 2 1 1 A 50 50 ILE CB C 50 37.952 37.873 0.079 1
1 529 . 2 1 1 A 50 50 ILE C C 50 177.890 178.052 -0.162 1
1 530 . 2 1 1 A 51 51 LYS N N 51 121.589 120.825 0.764 1
1 531 . 2 1 1 A 51 51 LYS H H 51 8.790 8.116 0.674 1
1 532 . 2 1 1 A 51 51 LYS CA C 51 58.277 59.772 -1.495 1
1 533 . 2 1 1 A 51 51 LYS HA H 51 3.816 4.031 -0.215 1
1 534 . 2 1 1 A 51 51 LYS CB C 51 32.898 32.455 0.443 1
1 546 . 2 1 1 A 51 51 LYS C C 51 176.668 178.626 -1.958 1
1 547 . 2 1 1 A 52 52 PHE N N 52 117.622 119.988 -2.366 1
1 548 . 2 1 1 A 52 52 PHE H H 52 7.768 7.876 -0.108 1
1 549 . 2 1 1 A 52 52 PHE CA C 52 60.585 61.782 -1.197 1
1 550 . 2 1 1 A 52 52 PHE HA H 52 4.090 4.049 0.041 1
1 551 . 2 1 1 A 52 52 PHE CB C 52 38.775 39.208 -0.433 1
1 564 . 2 1 1 A 52 52 PHE C C 52 176.831 176.908 -0.077 1
1 565 . 2 1 1 A 53 53 TYR N N 53 115.876 117.515 -1.639 1
1 566 . 2 1 1 A 53 53 TYR H H 53 7.346 8.457 -1.111 1
1 567 . 2 1 1 A 53 53 TYR CA C 53 61.264 60.394 0.870 1
1 568 . 2 1 1 A 53 53 TYR HA H 53 3.697 4.237 -0.540 1
1 569 . 2 1 1 A 53 53 TYR CB C 53 41.522 37.820 3.702 1
1 580 . 2 1 1 A 53 53 TYR C C 53 175.972 175.546 0.426 1
1 581 . 2 1 1 A 54 54 PHE N N 54 116.478 116.545 -0.067 1
1 582 . 2 1 1 A 54 54 PHE H H 54 8.877 8.536 0.341 1
1 583 . 2 1 1 A 54 54 PHE CA C 54 55.553 54.981 0.572 1
1 584 . 2 1 1 A 54 54 PHE HA H 54 5.173 5.112 0.061 1
1 585 . 2 1 1 A 54 54 PHE CB C 54 40.841 39.438 1.403 1
1 598 . 2 1 1 A 54 54 PHE C C 54 173.424 174.558 -1.134 1
1 599 . 2 1 1 A 55 55 PRO CA C 55 65.147 64.777 0.370 1
1 600 . 2 1 1 A 55 55 PRO HA H 55 4.591 4.550 0.041 1
1 601 . 2 1 1 A 55 55 PRO CB C 55 32.014 31.927 0.087 1
1 610 . 2 1 1 A 55 55 PRO C C 55 179.255 178.095 1.160 1
1 611 . 2 1 1 A 56 56 LYS N N 56 113.672 116.012 -2.340 1
1 612 . 2 1 1 A 56 56 LYS H H 56 8.639 8.861 -0.222 1
1 613 . 2 1 1 A 56 56 LYS CA C 56 56.918 58.731 -1.813 1
1 614 . 2 1 1 A 56 56 LYS HA H 56 4.384 4.116 0.268 1
1 615 . 2 1 1 A 56 56 LYS CB C 56 31.868 31.982 -0.114 1
1 627 . 2 1 1 A 56 56 LYS C C 56 178.220 179.102 -0.882 1
1 628 . 2 1 1 A 57 57 MET N N 57 116.692 118.204 -1.512 1
1 629 . 2 1 1 A 57 57 MET H H 57 8.099 8.244 -0.145 1
1 630 . 2 1 1 A 57 57 MET CA C 57 57.537 58.551 -1.014 1
1 631 . 2 1 1 A 57 57 MET HA H 57 4.260 4.244 0.016 1
1 632 . 2 1 1 A 57 57 MET CB C 57 35.400 32.910 2.490 1
1 642 . 2 1 1 A 57 57 MET C C 57 174.856 177.359 -2.503 1
1 643 . 2 1 1 A 58 58 VAL N N 58 114.727 118.173 -3.446 1
1 644 . 2 1 1 A 58 58 VAL H H 58 6.872 7.187 -0.315 1
1 645 . 2 1 1 A 58 58 VAL CA C 58 60.834 63.500 -2.666 1
1 646 . 2 1 1 A 58 58 VAL HA H 58 4.421 3.940 0.481 1
1 647 . 2 1 1 A 58 58 VAL CB C 58 36.223 31.956 4.267 1
1 657 . 2 1 1 A 58 58 VAL C C 58 173.747 175.913 -2.166 1
1 658 . 2 1 1 A 59 59 GLU N N 59 127.314 128.132 -0.818 1
1 659 . 2 1 1 A 59 59 GLU H H 59 8.783 9.011 -0.228 1
1 660 . 2 1 1 A 59 59 GLU CA C 59 54.465 58.459 -3.994 1
1 661 . 2 1 1 A 59 59 GLU HA H 59 4.671 4.420 0.251 1
1 662 . 2 1 1 A 59 59 GLU CB C 59 30.020 30.587 -0.567 1
1 668 . 2 1 1 A 59 59 GLU C C 59 176.450 176.422 0.028 1
1 669 . 2 1 1 A 60 60 MET N N 60 122.273 117.549 4.724 1
1 670 . 2 1 1 A 60 60 MET H H 60 9.004 8.323 0.681 1
1 671 . 2 1 1 A 60 60 MET CA C 60 55.751 56.967 -1.216 1
1 672 . 2 1 1 A 60 60 MET HA H 60 4.613 4.394 0.219 1
1 673 . 2 1 1 A 60 60 MET CB C 60 29.356 31.169 -1.813 1
1 683 . 2 1 1 A 60 60 MET C C 60 178.387 175.554 2.833 1
1 684 . 2 1 1 A 61 61 HIS N N 61 115.823 117.228 -1.405 1
1 685 . 2 1 1 A 61 61 HIS H H 61 8.198 8.086 0.112 1
1 686 . 2 1 1 A 61 61 HIS CA C 61 57.963 56.886 1.077 1
1 687 . 2 1 1 A 61 61 HIS HA H 61 4.341 4.761 -0.420 1
1 688 . 2 1 1 A 61 61 HIS CB C 61 29.235 31.715 -2.480 1
1 695 . 2 1 1 A 61 61 HIS C C 61 175.800 176.104 -0.304 1
1 696 . 2 1 1 A 62 62 ASN N N 62 115.093 112.591 2.502 1
1 697 . 2 1 1 A 62 62 ASN H H 62 6.895 7.833 -0.938 1
1 698 . 2 1 1 A 62 62 ASN CA C 62 54.503 52.690 1.813 1
1 699 . 2 1 1 A 62 62 ASN HA H 62 3.872 4.724 -0.852 1
1 700 . 2 1 1 A 62 62 ASN CB C 62 38.749 40.594 -1.845 1
1 706 . 2 1 1 A 62 62 ASN C C 62 173.014 175.038 -2.024 1
1 707 . 2 1 1 A 63 63 TYR N N 63 118.560 120.520 -1.960 1
1 708 . 2 1 1 A 63 63 TYR H H 63 7.255 7.504 -0.249 1
1 709 . 2 1 1 A 63 63 TYR CA C 63 56.311 59.261 -2.950 1
1 710 . 2 1 1 A 63 63 TYR HA H 63 4.481 4.659 -0.178 1
1 711 . 2 1 1 A 63 63 TYR CB C 63 39.138 39.023 0.115 1
1 722 . 2 1 1 A 63 63 TYR C C 63 173.223 176.334 -3.111 1
1 723 . 2 1 1 A 64 64 VAL N N 64 122.318 123.510 -1.192 1
1 724 . 2 1 1 A 64 64 VAL H H 64 7.750 8.732 -0.982 1
1 725 . 2 1 1 A 64 64 VAL CA C 64 58.601 58.712 -0.111 1
1 726 . 2 1 1 A 64 64 VAL HA H 64 4.469 4.583 -0.114 1
1 727 . 2 1 1 A 64 64 VAL CB C 64 33.747 35.205 -1.458 1
1 737 . 2 1 1 A 64 64 VAL C C 64 173.983 173.904 0.079 1
1 738 . 2 1 1 A 65 65 PRO CA C 65 63.212 62.581 0.631 1
1 739 . 2 1 1 A 65 65 PRO HA H 65 4.348 4.814 -0.466 1
1 740 . 2 1 1 A 65 65 PRO CB C 65 31.279 31.738 -0.459 1
1 749 . 2 1 1 A 65 65 PRO C C 65 176.821 176.209 0.612 1
1 750 . 2 1 1 A 66 66 ALA N N 66 125.896 124.203 1.693 1
1 751 . 2 1 1 A 66 66 ALA H H 66 8.563 8.574 -0.011 1
1 752 . 2 1 1 A 66 66 ALA CA C 66 52.003 50.502 1.501 1
1 753 . 2 1 1 A 66 66 ALA HA H 66 4.651 4.965 -0.314 1
1 754 . 2 1 1 A 66 66 ALA CB C 66 24.137 24.041 0.096 1
1 758 . 2 1 1 A 66 66 ALA C C 66 176.244 176.410 -0.166 1
1 759 . 2 1 1 A 67 67 ASN CA C 67 52.862 52.181 0.681 1
1 760 . 2 1 1 A 67 67 ASN HA H 67 4.988 5.051 -0.063 1
1 761 . 2 1 1 A 67 67 ASN CB C 67 40.168 38.530 1.638 1
1 767 . 2 1 1 A 67 67 ASN C C 67 174.896 174.792 0.104 1
1 768 . 2 1 1 A 68 68 SER N N 68 114.553 114.247 0.306 1
1 769 . 2 1 1 A 68 68 SER H H 68 7.777 7.647 0.130 1
1 770 . 2 1 1 A 68 68 SER CA C 68 56.741 57.691 -0.950 1
1 771 . 2 1 1 A 68 68 SER HA H 68 4.737 4.815 -0.078 1
1 772 . 2 1 1 A 68 68 SER CB C 68 65.267 65.191 0.076 1
1 775 . 2 1 1 A 68 68 SER C C 68 174.542 174.435 0.107 1
1 776 . 2 1 1 A 69 69 LEU CA C 69 59.000 58.884 0.116 1
1 777 . 2 1 1 A 69 69 LEU HA H 69 3.961 4.047 -0.086 1
1 778 . 2 1 1 A 69 69 LEU CB C 69 41.679 41.608 0.071 1
1 791 . 2 1 1 A 69 69 LEU C C 69 178.629 178.622 0.007 1
1 792 . 2 1 1 A 70 70 GLN N N 70 115.924 117.617 -1.693 1
1 793 . 2 1 1 A 70 70 GLN H H 70 8.785 8.356 0.429 1
1 794 . 2 1 1 A 70 70 GLN CA C 70 59.728 59.454 0.274 1
1 795 . 2 1 1 A 70 70 GLN HA H 70 3.977 3.965 0.012 1
1 796 . 2 1 1 A 70 70 GLN CB C 70 27.912 28.011 -0.099 1
1 805 . 2 1 1 A 70 70 GLN C C 70 178.954 178.425 0.529 1
1 806 . 2 1 1 A 71 71 GLN N N 71 118.694 119.561 -0.867 1
1 807 . 2 1 1 A 71 71 GLN H H 71 7.780 7.832 -0.052 1
1 808 . 2 1 1 A 71 71 GLN CA C 71 58.233 59.093 -0.860 1
1 809 . 2 1 1 A 71 71 GLN HA H 71 4.219 4.038 0.181 1
1 810 . 2 1 1 A 71 71 GLN CB C 71 29.089 28.367 0.722 1
1 819 . 2 1 1 A 71 71 GLN C C 71 178.724 178.294 0.430 1
1 820 . 2 1 1 A 72 72 LYS N N 72 119.661 118.567 1.094 1
1 821 . 2 1 1 A 72 72 LYS H H 72 8.094 8.049 0.045 1
1 822 . 2 1 1 A 72 72 LYS CA C 72 61.528 59.374 2.154 1
1 823 . 2 1 1 A 72 72 LYS HA H 72 4.206 4.058 0.148 1
1 824 . 2 1 1 A 72 72 LYS CB C 72 33.806 32.288 1.518 1
1 836 . 2 1 1 A 72 72 LYS C C 72 179.041 179.344 -0.303 1
1 837 . 2 1 1 A 73 73 LEU N N 73 117.098 120.877 -3.779 1
1 838 . 2 1 1 A 73 73 LEU H H 73 8.602 8.002 0.600 1
1 839 . 2 1 1 A 73 73 LEU CA C 73 58.118 57.920 0.198 1
1 840 . 2 1 1 A 73 73 LEU HA H 73 4.287 4.197 0.090 1
1 841 . 2 1 1 A 73 73 LEU CB C 73 40.831 41.425 -0.594 1
1 854 . 2 1 1 A 73 73 LEU C C 73 180.838 178.950 1.888 1
1 855 . 2 1 1 A 74 74 SER N N 74 118.060 113.850 4.210 1
1 856 . 2 1 1 A 74 74 SER H H 74 8.334 8.091 0.243 1
1 857 . 2 1 1 A 74 74 SER CA C 74 61.971 61.674 0.297 1
1 858 . 2 1 1 A 74 74 SER HA H 74 4.431 4.132 0.299 1
1 859 . 2 1 1 A 74 74 SER CB C 74 62.560 63.062 -0.502 1
1 862 . 2 1 1 A 74 74 SER C C 74 177.493 177.148 0.345 1
1 863 . 2 1 1 A 75 75 ASN N N 75 121.688 118.808 2.880 1
1 864 . 2 1 1 A 75 75 ASN H H 75 8.266 7.995 0.271 1
1 865 . 2 1 1 A 75 75 ASN CA C 75 56.090 56.511 -0.421 1
1 866 . 2 1 1 A 75 75 ASN HA H 75 4.739 4.855 -0.116 1
1 867 . 2 1 1 A 75 75 ASN CB C 75 38.184 38.267 -0.083 1
1 873 . 2 1 1 A 75 75 ASN C C 75 177.792 178.680 -0.888 1
1 874 . 2 1 1 A 76 76 TRP N N 76 118.943 120.345 -1.402 1
1 875 . 2 1 1 A 76 76 TRP H H 76 8.510 8.208 0.302 1
1 876 . 2 1 1 A 76 76 TRP CA C 76 62.294 59.789 2.505 1
1 877 . 2 1 1 A 76 76 TRP HA H 76 4.173 4.376 -0.203 1
1 878 . 2 1 1 A 76 76 TRP CB C 76 29.223 28.938 0.285 1
1 893 . 2 1 1 A 76 76 TRP C C 76 178.579 179.093 -0.514 1
1 894 . 2 1 1 A 77 77 GLY N N 77 107.789 107.712 0.077 1
1 895 . 2 1 1 A 77 77 GLY H H 77 8.954 9.100 -0.146 1
1 896 . 2 1 1 A 77 77 GLY CA C 77 47.600 47.377 0.223 1
1 897 . 2 1 1 A 77 77 GLY HA2 H 77 4.122 3.823 0.299 1
1 898 . 2 1 1 A 77 77 GLY HA3 H 77 3.977 3.838 0.139 1
1 899 . 2 1 1 A 77 77 GLY C C 77 176.076 175.907 0.169 1
1 900 . 2 1 1 A 78 78 HIS N N 78 122.925 121.810 1.115 1
1 901 . 2 1 1 A 78 78 HIS H H 78 8.127 7.727 0.400 1
1 902 . 2 1 1 A 78 78 HIS CA C 78 61.550 59.464 2.086 1
1 903 . 2 1 1 A 78 78 HIS HA H 78 4.206 4.235 -0.029 1
1 904 . 2 1 1 A 78 78 HIS CB C 78 30.794 30.479 0.315 1
1 911 . 2 1 1 A 78 78 HIS C C 78 177.572 177.381 0.191 1
1 912 . 2 1 1 A 79 79 LEU N N 79 120.009 120.479 -0.470 1
1 913 . 2 1 1 A 79 79 LEU H H 79 8.726 8.277 0.449 1
1 914 . 2 1 1 A 79 79 LEU CA C 79 58.252 57.718 0.534 1
1 915 . 2 1 1 A 79 79 LEU HA H 79 4.227 4.035 0.192 1
1 916 . 2 1 1 A 79 79 LEU CB C 79 43.075 41.199 1.876 1
1 929 . 2 1 1 A 79 79 LEU C C 79 181.067 178.658 2.409 1
1 930 . 2 1 1 A 80 80 ASN N N 80 119.257 117.382 1.875 1
1 931 . 2 1 1 A 80 80 ASN H H 80 9.270 8.043 1.227 1
1 932 . 2 1 1 A 80 80 ASN CA C 80 57.279 56.382 0.897 1
1 933 . 2 1 1 A 80 80 ASN HA H 80 4.595 4.565 0.030 1
1 934 . 2 1 1 A 80 80 ASN CB C 80 40.403 38.920 1.483 1
1 940 . 2 1 1 A 80 80 ASN C C 80 177.177 176.751 0.426 1
1 941 . 2 1 1 A 81 81 ARG N N 81 115.731 117.400 -1.669 1
1 942 . 2 1 1 A 81 81 ARG H H 81 8.085 8.084 0.001 1
1 943 . 2 1 1 A 81 81 ARG CA C 81 59.249 55.806 3.443 1
1 944 . 2 1 1 A 81 81 ARG HA H 81 4.167 4.577 -0.410 1
1 945 . 2 1 1 A 81 81 ARG CB C 81 31.579 30.768 0.811 1
1 954 . 2 1 1 A 81 81 ARG C C 81 177.890 176.806 1.084 1
1 955 . 2 1 1 A 82 82 LYS N N 82 113.840 117.705 -3.865 1
1 956 . 2 1 1 A 82 82 LYS H H 82 8.691 7.568 1.123 1
1 957 . 2 1 1 A 82 82 LYS CA C 82 56.216 56.364 -0.148 1
1 958 . 2 1 1 A 82 82 LYS HA H 82 4.441 4.379 0.062 1
1 959 . 2 1 1 A 82 82 LYS CB C 82 32.964 33.812 -0.848 1
1 971 . 2 1 1 A 82 82 LYS C C 82 177.543 176.957 0.586 1
1 972 . 2 1 1 A 83 83 VAL N N 83 117.873 117.009 0.864 1
1 973 . 2 1 1 A 83 83 VAL H H 83 7.786 7.849 -0.063 1
1 974 . 2 1 1 A 83 83 VAL CA C 83 64.939 63.595 1.344 1
1 975 . 2 1 1 A 83 83 VAL HA H 83 4.235 4.228 0.007 1
1 976 . 2 1 1 A 83 83 VAL CB C 83 34.046 32.917 1.129 1
1 986 . 2 1 1 A 83 83 VAL C C 83 176.945 177.483 -0.538 1
1 987 . 2 1 1 A 84 84 LEU N N 84 118.163 119.998 -1.835 1
1 988 . 2 1 1 A 84 84 LEU H H 84 9.200 8.252 0.948 1
1 989 . 2 1 1 A 84 84 LEU CA C 84 58.824 58.281 0.543 1
1 990 . 2 1 1 A 84 84 LEU HA H 84 3.898 3.912 -0.014 1
1 991 . 2 1 1 A 84 84 LEU CB C 84 38.418 41.696 -3.278 1
1 1004 . 2 1 1 A 84 84 LEU C C 84 179.874 178.874 1.000 1
1 1005 . 2 1 1 A 85 85 LYS N N 85 117.114 119.291 -2.177 1
1 1006 . 2 1 1 A 85 85 LYS H H 85 7.303 8.019 -0.716 1
1 1007 . 2 1 1 A 85 85 LYS CA C 85 59.436 60.018 -0.582 1
1 1008 . 2 1 1 A 85 85 LYS HA H 85 4.191 3.958 0.233 1
1 1009 . 2 1 1 A 85 85 LYS CB C 85 33.096 32.493 0.603 1
1 1021 . 2 1 1 A 85 85 LYS C C 85 180.286 178.906 1.380 1
1 1022 . 2 1 1 A 86 86 ARG N N 86 117.181 118.837 -1.656 1
1 1023 . 2 1 1 A 86 86 ARG H H 86 7.216 8.177 -0.961 1
1 1024 . 2 1 1 A 86 86 ARG CA C 86 57.924 58.992 -1.068 1
1 1025 . 2 1 1 A 86 86 ARG HA H 86 4.191 4.014 0.177 1
1 1026 . 2 1 1 A 86 86 ARG CB C 86 29.848 29.989 -0.141 1
1 1035 . 2 1 1 A 86 86 ARG C C 86 177.047 178.040 -0.993 1
1 1036 . 2 1 1 A 87 87 LEU N N 87 118.282 117.824 0.458 1
1 1037 . 2 1 1 A 87 87 LEU H H 87 7.584 8.265 -0.681 1
1 1038 . 2 1 1 A 87 87 LEU CA C 87 53.603 54.621 -1.018 1
1 1039 . 2 1 1 A 87 87 LEU HA H 87 4.339 4.400 -0.061 1
1 1040 . 2 1 1 A 87 87 LEU CB C 87 42.059 41.937 0.122 1
1 1053 . 2 1 1 A 87 87 LEU C C 87 175.182 175.562 -0.380 1
1 1054 . 2 1 1 A 88 88 ASN N N 88 115.016 114.921 0.095 1
1 1055 . 2 1 1 A 88 88 ASN H H 88 7.932 8.004 -0.072 1
1 1056 . 2 1 1 A 88 88 ASN CA C 88 54.081 54.287 -0.206 1
1 1057 . 2 1 1 A 88 88 ASN HA H 88 4.384 4.394 -0.010 1
1 1058 . 2 1 1 A 88 88 ASN CB C 88 36.809 37.040 -0.231 1
1 1064 . 2 1 1 A 88 88 ASN C C 88 173.426 173.620 -0.194 1
1 1065 . 2 1 1 A 89 89 PHE N N 89 119.795 119.176 0.619 1
1 1066 . 2 1 1 A 89 89 PHE H H 89 7.739 7.814 -0.075 1
1 1067 . 2 1 1 A 89 89 PHE CA C 89 56.231 56.275 -0.044 1
1 1068 . 2 1 1 A 89 89 PHE HA H 89 4.887 5.012 -0.125 1
1 1069 . 2 1 1 A 89 89 PHE CB C 89 43.188 41.191 1.997 1
1 1082 . 2 1 1 A 89 89 PHE C C 89 172.386 173.936 -1.550 1
1 1083 . 2 1 1 A 90 90 SER N N 90 117.020 124.766 -7.746 1
1 1084 . 2 1 1 A 90 90 SER H H 90 7.301 8.644 -1.343 1
1 1085 . 2 1 1 A 90 90 SER CA C 90 56.762 57.469 -0.707 1
1 1086 . 2 1 1 A 90 90 SER HA H 90 4.667 5.227 -0.560 1
1 1087 . 2 1 1 A 90 90 SER CB C 90 64.885 64.679 0.206 1
1 1090 . 2 1 1 A 90 90 SER C C 90 172.726 173.698 -0.972 1
1 1091 . 2 1 1 A 91 91 VAL N N 91 126.604 125.762 0.842 1
1 1092 . 2 1 1 A 91 91 VAL H H 91 8.959 9.165 -0.206 1
1 1093 . 2 1 1 A 91 91 VAL CA C 91 59.173 58.522 0.651 1
1 1094 . 2 1 1 A 91 91 VAL HA H 91 4.336 4.478 -0.142 1
1 1095 . 2 1 1 A 91 91 VAL CB C 91 33.703 34.950 -1.247 1
1 1105 . 2 1 1 A 91 91 VAL C C 91 173.886 174.391 -0.505 1
1 1106 . 2 1 1 A 92 92 PRO CA C 92 62.618 62.370 0.248 1
1 1107 . 2 1 1 A 92 92 PRO HA H 92 4.481 4.624 -0.143 1
1 1108 . 2 1 1 A 92 92 PRO CB C 92 33.302 33.487 -0.185 1
1 1117 . 2 1 1 A 92 92 PRO C C 92 177.410 176.155 1.255 1
1 1118 . 2 1 1 A 93 93 ASP N N 93 123.319 120.750 2.569 1
1 1119 . 2 1 1 A 93 93 ASP H H 93 8.854 8.602 0.252 1
1 1120 . 2 1 1 A 93 93 ASP CA C 93 58.347 56.885 1.462 1
1 1121 . 2 1 1 A 93 93 ASP HA H 93 4.298 4.343 -0.045 1
1 1122 . 2 1 1 A 93 93 ASP CB C 93 40.916 40.949 -0.033 1
1 1125 . 2 1 1 A 93 93 ASP C C 93 178.221 178.008 0.213 1
1 1126 . 2 1 1 A 94 94 ASP N N 94 116.740 119.194 -2.454 1
1 1127 . 2 1 1 A 94 94 ASP H H 94 8.955 8.499 0.456 1
1 1128 . 2 1 1 A 94 94 ASP CA C 94 56.851 56.320 0.531 1
1 1129 . 2 1 1 A 94 94 ASP HA H 94 4.222 4.374 -0.152 1
1 1130 . 2 1 1 A 94 94 ASP CB C 94 39.733 39.437 0.296 1
1 1133 . 2 1 1 A 94 94 ASP C C 94 178.344 177.688 0.656 1
1 1134 . 2 1 1 A 95 95 VAL N N 95 121.559 119.646 1.913 1
1 1135 . 2 1 1 A 95 95 VAL H H 95 6.935 7.396 -0.461 1
1 1136 . 2 1 1 A 95 95 VAL CA C 95 66.007 65.705 0.302 1
1 1137 . 2 1 1 A 95 95 VAL HA H 95 3.378 3.752 -0.374 1
1 1138 . 2 1 1 A 95 95 VAL CB C 95 31.712 31.703 0.009 1
1 1148 . 2 1 1 A 95 95 VAL C C 95 177.153 177.825 -0.672 1
1 1149 . 2 1 1 A 96 96 MET N N 96 118.492 117.443 1.049 1
1 1150 . 2 1 1 A 96 96 MET H H 96 7.993 7.998 -0.005 1
1 1151 . 2 1 1 A 96 96 MET CA C 96 60.318 58.613 1.705 1
1 1152 . 2 1 1 A 96 96 MET HA H 96 3.037 3.798 -0.761 1
1 1153 . 2 1 1 A 96 96 MET CB C 96 33.348 33.070 0.278 1
1 1163 . 2 1 1 A 96 96 MET C C 96 176.993 178.658 -1.665 1
1 1164 . 2 1 1 A 97 97 ARG N N 97 116.593 118.781 -2.188 1
1 1165 . 2 1 1 A 97 97 ARG H H 97 7.668 8.066 -0.398 1
1 1166 . 2 1 1 A 97 97 ARG CA C 97 60.372 59.570 0.802 1
1 1167 . 2 1 1 A 97 97 ARG HA H 97 3.772 3.939 -0.167 1
1 1168 . 2 1 1 A 97 97 ARG CB C 97 29.627 30.108 -0.481 1
1 1177 . 2 1 1 A 97 97 ARG C C 97 177.718 179.076 -1.358 1
1 1178 . 2 1 1 A 98 98 LYS N N 98 118.000 119.071 -1.071 1
1 1179 . 2 1 1 A 98 98 LYS H H 98 7.279 7.852 -0.573 1
1 1180 . 2 1 1 A 98 98 LYS CA C 98 59.942 58.964 0.978 1
1 1181 . 2 1 1 A 98 98 LYS HA H 98 4.035 4.041 -0.006 1
1 1182 . 2 1 1 A 98 98 LYS CB C 98 33.307 32.574 0.733 1
1 1194 . 2 1 1 A 98 98 LYS C C 98 178.861 178.739 0.122 1
1 1195 . 2 1 1 A 99 99 ILE N N 99 119.736 120.589 -0.853 1
1 1196 . 2 1 1 A 99 99 ILE H H 99 8.298 7.804 0.494 1
1 1197 . 2 1 1 A 99 99 ILE CA C 99 65.451 65.466 -0.015 1
1 1198 . 2 1 1 A 99 99 ILE HA H 99 3.473 3.568 -0.095 1
1 1199 . 2 1 1 A 99 99 ILE CB C 99 38.088 37.273 0.815 1
1 1212 . 2 1 1 A 99 99 ILE C C 99 181.472 177.678 3.794 1
1 1213 . 2 1 1 A 100 100 ALA N N 100 124.832 122.197 2.635 1
1 1214 . 2 1 1 A 100 100 ALA H H 100 8.473 7.789 0.684 1
1 1215 . 2 1 1 A 100 100 ALA CA C 100 54.623 54.396 0.227 1
1 1216 . 2 1 1 A 100 100 ALA HA H 100 4.481 4.240 0.241 1
1 1217 . 2 1 1 A 100 100 ALA CB C 100 19.106 18.301 0.805 1
1 1221 . 2 1 1 A 100 100 ALA C C 100 177.755 178.690 -0.935 1
1 1222 . 2 1 1 A 101 101 GLN N N 101 113.891 115.269 -1.378 1
1 1223 . 2 1 1 A 101 101 GLN H H 101 7.665 7.394 0.271 1
1 1224 . 2 1 1 A 101 101 GLN CA C 101 55.681 55.222 0.459 1
1 1225 . 2 1 1 A 101 101 GLN HA H 101 4.378 4.483 -0.105 1
1 1226 . 2 1 1 A 101 101 GLN CB C 101 28.879 28.596 0.283 1
1 1235 . 2 1 1 A 101 101 GLN C C 101 175.604 175.229 0.375 1
1 1236 . 2 1 1 A 102 102 CYS N N 102 114.274 117.135 -2.861 1
1 1237 . 2 1 1 A 102 102 CYS H H 102 8.300 7.614 0.686 1
1 1238 . 2 1 1 A 102 102 CYS CA C 102 58.700 59.893 -1.193 1
1 1239 . 2 1 1 A 102 102 CYS HA H 102 4.030 4.174 -0.144 1
1 1240 . 2 1 1 A 102 102 CYS CB C 102 24.987 25.537 -0.550 1
1 1243 . 2 1 1 A 102 102 CYS C C 102 174.186 174.078 0.108 1
1 1244 . 2 1 1 A 103 103 ALA N N 103 123.512 124.110 -0.598 1
1 1245 . 2 1 1 A 103 103 ALA H H 103 8.175 7.447 0.728 1
1 1246 . 2 1 1 A 103 103 ALA CA C 103 50.841 51.110 -0.269 1
1 1247 . 2 1 1 A 103 103 ALA HA H 103 4.458 4.459 -0.001 1
1 1248 . 2 1 1 A 103 103 ALA CB C 103 18.353 19.000 -0.647 1
1 1252 . 2 1 1 A 103 103 ALA C C 103 175.904 175.766 0.138 1
1 1253 . 2 1 1 A 104 104 PRO CA C 104 64.290 63.910 0.380 1
1 1254 . 2 1 1 A 104 104 PRO HA H 104 4.315 4.356 -0.041 1
1 1255 . 2 1 1 A 104 104 PRO CB C 104 32.028 31.292 0.736 1
1 1264 . 2 1 1 A 104 104 PRO C C 104 178.173 177.571 0.602 1
1 1265 . 2 1 1 A 105 105 GLY N N 105 113.466 112.795 0.671 1
1 1266 . 2 1 1 A 105 105 GLY H H 105 9.036 8.983 0.053 1
1 1267 . 2 1 1 A 105 105 GLY CA C 105 45.935 47.007 -1.072 1
1 1268 . 2 1 1 A 105 105 GLY HA2 H 105 4.044 3.855 0.189 1
1 1269 . 2 1 1 A 105 105 GLY HA3 H 105 3.832 3.863 -0.031 1
1 1270 . 2 1 1 A 105 105 GLY C C 105 174.928 174.712 0.216 1
1 1271 . 2 1 1 A 106 106 VAL N N 106 117.991 117.877 0.114 1
1 1272 . 2 1 1 A 106 106 VAL H H 106 6.964 8.124 -1.160 1
1 1273 . 2 1 1 A 106 106 VAL CA C 106 66.071 63.937 2.134 1
1 1274 . 2 1 1 A 106 106 VAL HA H 106 3.842 4.315 -0.473 1
1 1275 . 2 1 1 A 106 106 VAL CB C 106 31.337 33.803 -2.466 1
1 1285 . 2 1 1 A 106 106 VAL C C 106 178.061 176.679 1.382 1
1 1286 . 2 1 1 A 107 107 VAL N N 107 121.474 120.344 1.130 1
1 1287 . 2 1 1 A 107 107 VAL H H 107 9.039 8.199 0.840 1
1 1288 . 2 1 1 A 107 107 VAL CA C 107 65.971 64.869 1.102 1
1 1289 . 2 1 1 A 107 107 VAL HA H 107 3.743 3.737 0.006 1
1 1290 . 2 1 1 A 107 107 VAL CB C 107 30.959 31.125 -0.166 1
1 1300 . 2 1 1 A 107 107 VAL C C 107 177.629 177.738 -0.109 1
1 1301 . 2 1 1 A 108 108 GLU N N 108 126.242 122.249 3.993 1
1 1302 . 2 1 1 A 108 108 GLU H H 108 11.107 8.369 2.738 1
1 1303 . 2 1 1 A 108 108 GLU CA C 108 62.429 59.598 2.831 1
1 1304 . 2 1 1 A 108 108 GLU HA H 108 3.584 3.974 -0.390 1
1 1305 . 2 1 1 A 108 108 GLU CB C 108 28.863 29.111 -0.248 1
1 1311 . 2 1 1 A 108 108 GLU C C 108 176.878 179.869 -2.991 1
1 1312 . 2 1 1 A 109 109 LEU N N 109 114.111 120.154 -6.043 1
1 1313 . 2 1 1 A 109 109 LEU H H 109 7.474 7.938 -0.464 1
1 1314 . 2 1 1 A 109 109 LEU CA C 109 56.293 57.810 -1.517 1
1 1315 . 2 1 1 A 109 109 LEU HA H 109 4.024 4.100 -0.076 1
1 1316 . 2 1 1 A 109 109 LEU CB C 109 40.846 41.484 -0.638 1
1 1329 . 2 1 1 A 109 109 LEU C C 109 178.647 178.278 0.369 1
1 1330 . 2 1 1 A 110 110 VAL N N 110 116.984 118.721 -1.737 1
1 1331 . 2 1 1 A 110 110 VAL H H 110 7.557 7.819 -0.262 1
1 1332 . 2 1 1 A 110 110 VAL CA C 110 64.274 64.841 -0.567 1
1 1333 . 2 1 1 A 110 110 VAL HA H 110 4.206 4.129 0.077 1
1 1334 . 2 1 1 A 110 110 VAL CB C 110 33.070 32.388 0.682 1
1 1344 . 2 1 1 A 110 110 VAL C C 110 176.435 177.763 -1.328 1
1 1345 . 2 1 1 A 111 111 LEU N N 111 118.461 120.421 -1.960 1
1 1346 . 2 1 1 A 111 111 LEU H H 111 8.453 7.477 0.976 1
1 1347 . 2 1 1 A 111 111 LEU CA C 111 58.047 57.544 0.503 1
1 1348 . 2 1 1 A 111 111 LEU HA H 111 4.003 4.119 -0.116 1
1 1349 . 2 1 1 A 111 111 LEU CB C 111 43.552 41.852 1.700 1
1 1362 . 2 1 1 A 111 111 LEU C C 111 177.274 179.047 -1.773 1
1 1363 . 2 1 1 A 112 112 ILE N N 112 115.835 120.361 -4.526 1
1 1364 . 2 1 1 A 112 112 ILE H H 112 7.850 7.645 0.205 1
1 1365 . 2 1 1 A 112 112 ILE CA C 112 67.843 66.341 1.502 1
1 1366 . 2 1 1 A 112 112 ILE HA H 112 3.636 3.696 -0.060 1
1 1367 . 2 1 1 A 112 112 ILE CB C 112 36.504 35.644 0.860 1
1 1380 . 2 1 1 A 112 112 ILE C C 112 176.487 175.196 1.291 1
1 1381 . 2 1 1 A 113 113 PRO CA C 113 64.872 65.503 -0.631 1
1 1382 . 2 1 1 A 113 113 PRO HA H 113 4.420 4.335 0.085 1
1 1383 . 2 1 1 A 113 113 PRO CB C 113 30.348 30.765 -0.417 1
1 1392 . 2 1 1 A 113 113 PRO C C 113 179.001 178.727 0.274 1
1 1393 . 2 1 1 A 114 114 LEU N N 114 120.690 117.866 2.824 1
1 1394 . 2 1 1 A 114 114 LEU H H 114 7.672 7.286 0.386 1
1 1395 . 2 1 1 A 114 114 LEU CA C 114 58.337 57.564 0.773 1
1 1396 . 2 1 1 A 114 114 LEU HA H 114 3.490 3.857 -0.367 1
1 1397 . 2 1 1 A 114 114 LEU CB C 114 41.840 41.748 0.092 1
1 1410 . 2 1 1 A 114 114 LEU C C 114 177.486 178.089 -0.603 1
1 1411 . 2 1 1 A 115 115 ARG N N 115 119.039 118.762 0.277 1
1 1412 . 2 1 1 A 115 115 ARG H H 115 8.159 7.312 0.847 1
1 1413 . 2 1 1 A 115 115 ARG CA C 115 60.199 59.182 1.017 1
1 1414 . 2 1 1 A 115 115 ARG HA H 115 3.215 3.598 -0.383 1
1 1415 . 2 1 1 A 115 115 ARG CB C 115 28.049 29.417 -1.368 1
1 1426 . 2 1 1 A 115 115 ARG C C 115 177.460 178.988 -1.528 1
1 1427 . 2 1 1 A 116 116 GLN N N 116 115.221 118.210 -2.989 1
1 1428 . 2 1 1 A 116 116 GLN H H 116 6.825 7.922 -1.097 1
1 1429 . 2 1 1 A 116 116 GLN CA C 116 58.838 58.755 0.083 1
1 1430 . 2 1 1 A 116 116 GLN HA H 116 3.830 4.036 -0.206 1
1 1431 . 2 1 1 A 116 116 GLN CB C 116 27.871 28.200 -0.329 1
1 1440 . 2 1 1 A 116 116 GLN C C 116 178.648 178.733 -0.085 1
1 1441 . 2 1 1 A 117 117 ARG N N 117 118.476 119.668 -1.192 1
1 1442 . 2 1 1 A 117 117 ARG H H 117 8.028 7.971 0.057 1
1 1443 . 2 1 1 A 117 117 ARG CA C 117 57.607 59.233 -1.626 1
1 1444 . 2 1 1 A 117 117 ARG HA H 117 4.117 4.103 0.014 1
1 1445 . 2 1 1 A 117 117 ARG CB C 117 30.040 30.503 -0.463 1
1 1454 . 2 1 1 A 117 117 ARG C C 117 179.370 178.904 0.466 1
1 1455 . 2 1 1 A 118 118 LEU N N 118 120.407 119.596 0.811 1
1 1456 . 2 1 1 A 118 118 LEU H H 118 8.533 7.943 0.590 1
1 1457 . 2 1 1 A 118 118 LEU CA C 118 58.295 57.998 0.297 1
1 1458 . 2 1 1 A 118 118 LEU HA H 118 3.950 4.132 -0.182 1
1 1459 . 2 1 1 A 118 118 LEU CB C 118 40.472 41.123 -0.651 1
1 1472 . 2 1 1 A 118 118 LEU C C 118 178.577 179.000 -0.423 1
1 1473 . 2 1 1 A 119 119 GLU N N 119 116.858 117.602 -0.744 1
1 1474 . 2 1 1 A 119 119 GLU H H 119 8.220 8.552 -0.332 1
1 1475 . 2 1 1 A 119 119 GLU CA C 119 59.441 59.949 -0.508 1
1 1476 . 2 1 1 A 119 119 GLU HA H 119 4.047 4.054 -0.007 1
1 1477 . 2 1 1 A 119 119 GLU CB C 119 29.271 29.225 0.046 1
1 1483 . 2 1 1 A 119 119 GLU C C 119 179.631 179.273 0.358 1
1 1484 . 2 1 1 A 120 120 GLU N N 120 119.797 119.737 0.060 1
1 1485 . 2 1 1 A 120 120 GLU H H 120 8.199 8.561 -0.362 1
1 1486 . 2 1 1 A 120 120 GLU CA C 120 59.223 59.659 -0.436 1
1 1487 . 2 1 1 A 120 120 GLU HA H 120 4.062 4.075 -0.013 1
1 1488 . 2 1 1 A 120 120 GLU CB C 120 29.562 29.196 0.366 1
1 1494 . 2 1 1 A 120 120 GLU C C 120 178.823 179.438 -0.615 1
1 1495 . 2 1 1 A 121 121 ARG N N 121 118.760 119.023 -0.263 1
1 1496 . 2 1 1 A 121 121 ARG H H 121 7.928 8.006 -0.078 1
1 1497 . 2 1 1 A 121 121 ARG CA C 121 58.065 59.165 -1.100 1
1 1498 . 2 1 1 A 121 121 ARG HA H 121 4.136 4.234 -0.098 1
1 1499 . 2 1 1 A 121 121 ARG CB C 121 29.478 29.723 -0.245 1
1 1508 . 2 1 1 A 121 121 ARG C C 121 178.426 178.857 -0.431 1
1 1509 . 2 1 1 A 122 122 GLN N N 122 119.430 119.515 -0.085 1
1 1510 . 2 1 1 A 122 122 GLN H H 122 8.323 8.351 -0.028 1
1 1511 . 2 1 1 A 122 122 GLN CA C 122 58.489 59.371 -0.882 1
1 1512 . 2 1 1 A 122 122 GLN HA H 122 4.352 4.159 0.193 1
1 1513 . 2 1 1 A 122 122 GLN CB C 122 29.611 28.293 1.318 1
1 1522 . 2 1 1 A 122 122 GLN C C 122 177.291 177.703 -0.412 1
1 1523 . 2 1 1 A 123 123 ARG N N 123 118.341 117.708 0.633 1
1 1524 . 2 1 1 A 123 123 ARG H H 123 7.920 8.078 -0.158 1
1 1525 . 2 1 1 A 123 123 ARG CA C 123 57.695 59.114 -1.419 1
1 1526 . 2 1 1 A 123 123 ARG HA H 123 4.266 4.151 0.115 1
1 1527 . 2 1 1 A 123 123 ARG CB C 123 30.671 29.780 0.891 1
1 1536 . 2 1 1 A 123 123 ARG C C 123 177.214 176.964 0.250 1
1 1537 . 2 1 1 A 124 124 ARG N N 124 119.452 121.343 -1.891 1
1 1538 . 2 1 1 A 124 124 ARG H H 124 7.850 7.741 0.109 1
1 1539 . 2 1 1 A 124 124 ARG CA C 124 56.814 57.096 -0.282 1
1 1540 . 2 1 1 A 124 124 ARG HA H 124 4.300 4.293 0.007 1
1 1541 . 2 1 1 A 124 124 ARG CB C 124 30.672 30.561 0.111 1
1 1550 . 2 1 1 A 124 124 ARG C C 124 176.540 176.698 -0.158 1
1 1551 . 2 1 1 A 125 125 ARG N N 125 120.963 122.799 -1.836 1
1 1552 . 2 1 1 A 125 125 ARG H H 125 8.081 8.403 -0.322 1
1 1553 . 2 1 1 A 125 125 ARG CA C 125 56.514 57.255 -0.741 1
1 1554 . 2 1 1 A 125 125 ARG HA H 125 4.355 4.259 0.096 1
1 1555 . 2 1 1 A 125 125 ARG CB C 125 30.694 31.007 -0.313 1
1 1564 . 2 1 1 A 125 125 ARG C C 125 176.133 176.122 0.011 1
1 1565 . 2 1 1 A 126 126 LYS N N 126 122.811 122.461 0.350 1
1 1566 . 2 1 1 A 126 126 LYS H H 126 8.252 8.598 -0.346 1
1 1567 . 2 1 1 A 126 126 LYS CA C 126 56.430 55.600 0.830 1
1 1568 . 2 1 1 A 126 126 LYS HA H 126 4.351 4.565 -0.214 1
1 1569 . 2 1 1 A 126 126 LYS CB C 126 33.017 35.798 -2.781 1
1 1581 . 2 1 1 A 126 126 LYS C C 126 175.649 175.692 -0.043 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.715 56.664 2.051 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.472 5.222 -0.750 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.934 65.828 -1.894 1
1 6 . 3 1 1 A 6 6 SER C C 6 174.927 174.106 0.821 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.435 107.659 2.776 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.348 8.521 -0.173 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.364 45.614 -0.250 1
1 10 . 3 1 1 A 7 7 GLY HA2 H 7 3.919 4.209 -0.290 1
1 11 . 3 1 1 A 7 7 GLY HA3 H 7 3.919 4.209 -0.290 1
1 12 . 3 1 1 A 7 7 GLY C C 7 173.952 173.576 0.376 1
1 13 . 3 1 1 A 8 8 MET N N 8 119.481 123.000 -3.519 1
1 14 . 3 1 1 A 8 8 MET H H 8 8.163 8.299 -0.136 1
1 15 . 3 1 1 A 8 8 MET CA C 8 55.472 55.700 -0.228 1
1 16 . 3 1 1 A 8 8 MET HA H 8 4.486 4.628 -0.142 1
1 17 . 3 1 1 A 8 8 MET CB C 8 33.598 33.785 -0.187 1
1 27 . 3 1 1 A 8 8 MET C C 8 176.019 176.335 -0.316 1
1 28 . 3 1 1 A 9 9 ALA N N 9 125.433 124.826 0.607 1
1 29 . 3 1 1 A 9 9 ALA H H 9 8.436 8.259 0.177 1
1 30 . 3 1 1 A 9 9 ALA CA C 9 52.481 51.656 0.825 1
1 31 . 3 1 1 A 9 9 ALA HA H 9 4.381 4.442 -0.061 1
1 32 . 3 1 1 A 9 9 ALA CB C 9 19.322 19.885 -0.563 1
1 36 . 3 1 1 A 9 9 ALA C C 9 177.349 177.032 0.317 1
1 37 . 3 1 1 A 10 10 SER N N 10 114.383 116.153 -1.770 1
1 38 . 3 1 1 A 10 10 SER H H 10 8.372 8.745 -0.373 1
1 39 . 3 1 1 A 10 10 SER CA C 10 58.607 57.612 0.995 1
1 40 . 3 1 1 A 10 10 SER HA H 10 4.470 4.837 -0.367 1
1 41 . 3 1 1 A 10 10 SER CB C 10 63.979 67.259 -3.280 1
1 44 . 3 1 1 A 10 10 SER C C 10 174.323 172.779 1.544 1
1 45 . 3 1 1 A 11 11 SER N N 11 116.549 118.316 -1.767 1
1 46 . 3 1 1 A 11 11 SER H H 11 8.111 8.764 -0.653 1
1 47 . 3 1 1 A 11 11 SER CA C 11 58.189 58.329 -0.140 1
1 48 . 3 1 1 A 11 11 SER HA H 11 4.487 4.683 -0.196 1
1 49 . 3 1 1 A 11 11 SER CB C 11 64.081 64.018 0.063 1
1 52 . 3 1 1 A 11 11 SER C C 11 173.692 175.140 -1.448 1
1 53 . 3 1 1 A 12 12 VAL N N 12 120.502 122.877 -2.375 1
1 54 . 3 1 1 A 12 12 VAL H H 12 8.207 8.227 -0.020 1
1 55 . 3 1 1 A 12 12 VAL CA C 12 61.847 63.437 -1.590 1
1 56 . 3 1 1 A 12 12 VAL HA H 12 4.150 3.980 0.170 1
1 57 . 3 1 1 A 12 12 VAL CB C 12 33.269 32.118 1.151 1
1 67 . 3 1 1 A 12 12 VAL C C 12 174.930 175.348 -0.418 1
1 68 . 3 1 1 A 13 13 ASP N N 13 124.104 126.131 -2.027 1
1 69 . 3 1 1 A 13 13 ASP H H 13 7.953 8.615 -0.662 1
1 70 . 3 1 1 A 13 13 ASP CA C 13 53.249 52.350 0.899 1
1 71 . 3 1 1 A 13 13 ASP HA H 13 4.661 4.987 -0.326 1
1 72 . 3 1 1 A 13 13 ASP CB C 13 41.891 43.852 -1.961 1
1 75 . 3 1 1 A 13 13 ASP C C 13 176.009 176.776 -0.767 1
1 76 . 3 1 1 A 14 14 GLU N N 14 120.197 120.876 -0.679 1
1 77 . 3 1 1 A 14 14 GLU H H 14 8.568 8.970 -0.402 1
1 78 . 3 1 1 A 14 14 GLU CA C 14 59.932 59.390 0.542 1
1 79 . 3 1 1 A 14 14 GLU HA H 14 3.944 4.043 -0.099 1
1 80 . 3 1 1 A 14 14 GLU CB C 14 29.670 29.010 0.660 1
1 86 . 3 1 1 A 14 14 GLU C C 14 178.863 178.684 0.179 1
1 87 . 3 1 1 A 15 15 GLU N N 15 120.713 119.126 1.587 1
1 88 . 3 1 1 A 15 15 GLU H H 15 8.312 8.368 -0.056 1
1 89 . 3 1 1 A 15 15 GLU CA C 15 59.101 59.183 -0.082 1
1 90 . 3 1 1 A 15 15 GLU HA H 15 4.244 4.104 0.140 1
1 91 . 3 1 1 A 15 15 GLU CB C 15 28.917 29.481 -0.564 1
1 97 . 3 1 1 A 15 15 GLU C C 15 178.511 178.761 -0.250 1
1 98 . 3 1 1 A 16 16 ALA N N 16 123.041 122.306 0.735 1
1 99 . 3 1 1 A 16 16 ALA H H 16 8.047 7.672 0.375 1
1 100 . 3 1 1 A 16 16 ALA CA C 16 54.830 55.079 -0.249 1
1 101 . 3 1 1 A 16 16 ALA HA H 16 4.093 4.152 -0.059 1
1 102 . 3 1 1 A 16 16 ALA CB C 16 18.371 18.445 -0.074 1
1 106 . 3 1 1 A 16 16 ALA C C 16 181.428 180.082 1.346 1
1 107 . 3 1 1 A 17 17 LEU N N 17 119.436 118.953 0.483 1
1 108 . 3 1 1 A 17 17 LEU H H 17 8.042 7.902 0.140 1
1 109 . 3 1 1 A 17 17 LEU CA C 17 57.623 57.810 -0.187 1
1 110 . 3 1 1 A 17 17 LEU HA H 17 3.838 4.014 -0.176 1
1 111 . 3 1 1 A 17 17 LEU CB C 17 41.323 42.401 -1.078 1
1 124 . 3 1 1 A 17 17 LEU C C 17 177.590 179.221 -1.631 1
1 125 . 3 1 1 A 18 18 HIS N N 18 118.394 117.681 0.713 1
1 126 . 3 1 1 A 18 18 HIS H H 18 8.182 8.098 0.084 1
1 127 . 3 1 1 A 18 18 HIS CA C 18 59.415 60.106 -0.691 1
1 128 . 3 1 1 A 18 18 HIS HA H 18 4.435 3.846 0.589 1
1 129 . 3 1 1 A 18 18 HIS CB C 18 29.560 29.584 -0.024 1
1 136 . 3 1 1 A 18 18 HIS C C 18 178.114 176.806 1.308 1
1 137 . 3 1 1 A 19 19 GLN N N 19 115.623 116.960 -1.337 1
1 138 . 3 1 1 A 19 19 GLN H H 19 8.178 7.930 0.248 1
1 139 . 3 1 1 A 19 19 GLN CA C 19 58.406 58.585 -0.179 1
1 140 . 3 1 1 A 19 19 GLN HA H 19 3.904 3.770 0.134 1
1 141 . 3 1 1 A 19 19 GLN CB C 19 28.118 28.360 -0.242 1
1 150 . 3 1 1 A 19 19 GLN C C 19 179.132 177.914 1.218 1
1 151 . 3 1 1 A 20 20 LEU N N 20 122.817 121.580 1.237 1
1 152 . 3 1 1 A 20 20 LEU H H 20 7.949 7.860 0.089 1
1 153 . 3 1 1 A 20 20 LEU CA C 20 58.278 57.591 0.687 1
1 154 . 3 1 1 A 20 20 LEU HA H 20 4.233 4.251 -0.018 1
1 155 . 3 1 1 A 20 20 LEU CB C 20 40.850 42.358 -1.508 1
1 168 . 3 1 1 A 20 20 LEU C C 20 178.466 178.352 0.114 1
1 169 . 3 1 1 A 21 21 TYR N N 21 118.825 119.362 -0.537 1
1 170 . 3 1 1 A 21 21 TYR H H 21 8.376 8.391 -0.015 1
1 171 . 3 1 1 A 21 21 TYR CA C 21 60.605 60.980 -0.375 1
1 172 . 3 1 1 A 21 21 TYR HA H 21 4.286 4.141 0.145 1
1 173 . 3 1 1 A 21 21 TYR CB C 21 36.667 37.974 -1.307 1
1 184 . 3 1 1 A 21 21 TYR C C 21 178.654 178.256 0.398 1
1 185 . 3 1 1 A 22 22 LEU N N 22 118.954 119.778 -0.824 1
1 186 . 3 1 1 A 22 22 LEU H H 22 7.869 8.514 -0.645 1
1 187 . 3 1 1 A 22 22 LEU CA C 22 57.887 58.233 -0.346 1
1 188 . 3 1 1 A 22 22 LEU HA H 22 4.076 3.802 0.274 1
1 189 . 3 1 1 A 22 22 LEU CB C 22 42.250 42.039 0.211 1
1 202 . 3 1 1 A 22 22 LEU C C 22 178.877 178.692 0.185 1
1 203 . 3 1 1 A 23 23 TRP N N 23 120.668 120.553 0.115 1
1 204 . 3 1 1 A 23 23 TRP H H 23 7.804 7.859 -0.055 1
1 205 . 3 1 1 A 23 23 TRP CA C 23 60.711 61.104 -0.393 1
1 206 . 3 1 1 A 23 23 TRP HA H 23 4.436 4.121 0.315 1
1 207 . 3 1 1 A 23 23 TRP CB C 23 28.035 29.726 -1.691 1
1 222 . 3 1 1 A 23 23 TRP C C 23 178.471 178.188 0.283 1
1 223 . 3 1 1 A 24 24 VAL N N 24 116.831 119.298 -2.467 1
1 224 . 3 1 1 A 24 24 VAL H H 24 8.503 7.488 1.015 1
1 225 . 3 1 1 A 24 24 VAL CA C 24 66.014 66.351 -0.337 1
1 226 . 3 1 1 A 24 24 VAL HA H 24 3.084 2.964 0.120 1
1 227 . 3 1 1 A 24 24 VAL CB C 24 31.826 31.337 0.489 1
1 237 . 3 1 1 A 24 24 VAL C C 24 178.212 177.445 0.767 1
1 238 . 3 1 1 A 25 25 ASP N N 25 117.894 119.996 -2.102 1
1 239 . 3 1 1 A 25 25 ASP H H 25 8.140 8.015 0.125 1
1 240 . 3 1 1 A 25 25 ASP CA C 25 57.043 57.804 -0.761 1
1 241 . 3 1 1 A 25 25 ASP HA H 25 4.290 4.183 0.107 1
1 242 . 3 1 1 A 25 25 ASP CB C 25 41.067 42.104 -1.037 1
1 245 . 3 1 1 A 25 25 ASP C C 25 177.163 177.960 -0.797 1
1 246 . 3 1 1 A 26 26 ASN N N 26 114.914 116.826 -1.912 1
1 247 . 3 1 1 A 26 26 ASN H H 26 7.229 8.288 -1.059 1
1 248 . 3 1 1 A 26 26 ASN CA C 26 53.375 56.798 -3.423 1
1 249 . 3 1 1 A 26 26 ASN HA H 26 4.607 4.447 0.160 1
1 250 . 3 1 1 A 26 26 ASN CB C 26 40.048 39.180 0.868 1
1 256 . 3 1 1 A 26 26 ASN C C 26 174.227 176.005 -1.778 1
1 257 . 3 1 1 A 27 27 ILE N N 27 123.268 119.416 3.852 1
1 258 . 3 1 1 A 27 27 ILE H H 27 7.212 7.263 -0.051 1
1 259 . 3 1 1 A 27 27 ILE CA C 27 58.327 60.609 -2.282 1
1 260 . 3 1 1 A 27 27 ILE HA H 27 3.628 3.953 -0.325 1
1 261 . 3 1 1 A 27 27 ILE CB C 27 39.403 37.777 1.626 1
1 274 . 3 1 1 A 27 27 ILE C C 27 173.764 174.117 -0.353 1
1 275 . 3 1 1 A 28 28 PRO CA C 28 62.584 62.661 -0.077 1
1 276 . 3 1 1 A 28 28 PRO HA H 28 4.354 4.705 -0.351 1
1 277 . 3 1 1 A 28 28 PRO CB C 28 30.056 31.623 -1.567 1
1 286 . 3 1 1 A 28 28 PRO C C 28 175.419 175.902 -0.483 1
1 287 . 3 1 1 A 29 29 LEU N N 29 125.355 125.187 0.168 1
1 288 . 3 1 1 A 29 29 LEU H H 29 8.118 8.562 -0.444 1
1 289 . 3 1 1 A 29 29 LEU CA C 29 53.358 53.785 -0.427 1
1 290 . 3 1 1 A 29 29 LEU HA H 29 4.748 4.587 0.161 1
1 291 . 3 1 1 A 29 29 LEU CB C 29 45.279 44.587 0.692 1
1 304 . 3 1 1 A 29 29 LEU C C 29 178.577 176.675 1.902 1
1 305 . 3 1 1 A 31 31 ARG CA C 31 53.250 54.918 -1.668 1
1 306 . 3 1 1 A 31 31 ARG HA H 31 4.787 4.439 0.348 1
1 307 . 3 1 1 A 31 31 ARG CB C 31 32.107 29.777 2.330 1
1 316 . 3 1 1 A 32 32 PRO CA C 32 62.865 62.294 0.571 1
1 317 . 3 1 1 A 32 32 PRO HA H 32 4.300 4.623 -0.323 1
1 318 . 3 1 1 A 32 32 PRO CB C 32 32.193 33.285 -1.092 1
1 327 . 3 1 1 A 33 33 LYS CA C 33 56.154 55.319 0.835 1
1 328 . 3 1 1 A 33 33 LYS HA H 33 4.361 4.617 -0.256 1
1 329 . 3 1 1 A 33 33 LYS CB C 33 32.368 32.007 0.361 1
1 341 . 3 1 1 A 34 34 ARG N N 34 122.768 120.494 2.274 1
1 342 . 3 1 1 A 34 34 ARG H H 34 8.410 7.477 0.933 1
1 343 . 3 1 1 A 34 34 ARG HA H 34 4.336 4.668 -0.332 1
1 344 . 3 1 1 A 34 34 ARG CB C 34 31.894 31.938 -0.044 1
1 349 . 3 1 1 A 35 35 ASN CA C 35 53.153 54.096 -0.943 1
1 350 . 3 1 1 A 35 35 ASN HA H 35 4.771 4.582 0.189 1
1 351 . 3 1 1 A 35 35 ASN CB C 35 39.425 38.289 1.136 1
1 357 . 3 1 1 A 36 36 LEU N N 36 110.943 124.944 -14.001 1
1 358 . 3 1 1 A 36 36 LEU H H 36 8.305 8.224 0.081 1
1 359 . 3 1 1 A 36 36 LEU CA C 36 60.191 57.715 2.476 1
1 360 . 3 1 1 A 36 36 LEU HA H 36 4.140 3.881 0.259 1
1 361 . 3 1 1 A 36 36 LEU CB C 36 41.876 40.984 0.892 1
1 374 . 3 1 1 A 37 37 SER CA C 37 61.673 61.398 0.275 1
1 375 . 3 1 1 A 37 37 SER HA H 37 4.080 4.016 0.064 1
1 376 . 3 1 1 A 37 37 SER CB C 37 62.700 62.948 -0.248 1
1 379 . 3 1 1 A 38 38 ARG N N 38 119.288 121.032 -1.744 1
1 380 . 3 1 1 A 38 38 ARG H H 38 7.773 7.703 0.070 1
1 381 . 3 1 1 A 38 38 ARG HA H 38 4.587 4.205 0.382 1
1 384 . 3 1 1 A 39 39 ASP N N 39 121.607 119.732 1.875 1
1 385 . 3 1 1 A 39 39 ASP H H 39 9.487 8.228 1.259 1
1 386 . 3 1 1 A 39 39 ASP CA C 39 58.026 57.130 0.896 1
1 387 . 3 1 1 A 39 39 ASP HA H 39 4.518 4.447 0.071 1
1 388 . 3 1 1 A 39 39 ASP CB C 39 40.039 41.235 -1.196 1
1 391 . 3 1 1 A 40 40 PHE N N 40 115.310 118.780 -3.470 1
1 392 . 3 1 1 A 40 40 PHE H H 40 8.300 8.918 -0.618 1
1 393 . 3 1 1 A 40 40 PHE CA C 40 59.420 60.671 -1.251 1
1 394 . 3 1 1 A 40 40 PHE HA H 40 4.605 4.281 0.324 1
1 395 . 3 1 1 A 40 40 PHE CB C 40 39.030 38.874 0.156 1
1 408 . 3 1 1 A 41 41 SER N N 41 115.417 115.439 -0.022 1
1 409 . 3 1 1 A 41 41 SER H H 41 7.441 8.363 -0.922 1
1 410 . 3 1 1 A 41 41 SER CA C 41 62.290 62.458 -0.168 1
1 411 . 3 1 1 A 41 41 SER HA H 41 4.341 4.390 -0.049 1
1 412 . 3 1 1 A 41 41 SER CB C 41 64.510 63.049 1.461 1
1 415 . 3 1 1 A 42 42 ASP N N 42 117.563 119.806 -2.243 1
1 416 . 3 1 1 A 42 42 ASP H H 42 8.726 8.413 0.313 1
1 417 . 3 1 1 A 42 42 ASP CA C 42 53.746 55.848 -2.102 1
1 418 . 3 1 1 A 42 42 ASP HA H 42 4.780 4.500 0.280 1
1 419 . 3 1 1 A 42 42 ASP CB C 42 42.695 40.987 1.708 1
1 422 . 3 1 1 A 42 42 ASP C C 42 176.013 176.336 -0.323 1
1 423 . 3 1 1 A 43 43 GLY N N 43 106.643 107.368 -0.725 1
1 424 . 3 1 1 A 43 43 GLY H H 43 7.388 8.097 -0.709 1
1 425 . 3 1 1 A 43 43 GLY CA C 43 45.230 45.024 0.206 1
1 426 . 3 1 1 A 43 43 GLY HA2 H 43 3.131 3.422 -0.291 1
1 427 . 3 1 1 A 43 43 GLY HA3 H 43 2.588 3.438 -0.850 1
1 428 . 3 1 1 A 43 43 GLY C C 43 173.476 175.766 -2.290 1
1 429 . 3 1 1 A 44 44 VAL N N 44 121.300 120.334 0.966 1
1 430 . 3 1 1 A 44 44 VAL H H 44 7.874 8.259 -0.385 1
1 431 . 3 1 1 A 44 44 VAL CA C 44 67.198 65.369 1.829 1
1 432 . 3 1 1 A 44 44 VAL HA H 44 3.018 3.552 -0.534 1
1 433 . 3 1 1 A 44 44 VAL CB C 44 31.139 31.362 -0.223 1
1 443 . 3 1 1 A 44 44 VAL C C 44 177.853 177.790 0.063 1
1 444 . 3 1 1 A 45 45 LEU N N 45 114.495 120.770 -6.275 1
1 445 . 3 1 1 A 45 45 LEU H H 45 8.945 8.119 0.826 1
1 446 . 3 1 1 A 45 45 LEU CA C 45 57.466 57.705 -0.239 1
1 447 . 3 1 1 A 45 45 LEU HA H 45 3.838 3.873 -0.035 1
1 448 . 3 1 1 A 45 45 LEU CB C 45 40.503 41.259 -0.756 1
1 461 . 3 1 1 A 45 45 LEU C C 45 179.257 178.334 0.923 1
1 462 . 3 1 1 A 46 46 VAL N N 46 118.354 118.867 -0.513 1
1 463 . 3 1 1 A 46 46 VAL H H 46 7.422 7.597 -0.175 1
1 464 . 3 1 1 A 46 46 VAL CA C 46 67.288 66.198 1.090 1
1 465 . 3 1 1 A 46 46 VAL HA H 46 3.469 3.147 0.322 1
1 466 . 3 1 1 A 46 46 VAL CB C 46 30.173 31.303 -1.130 1
1 476 . 3 1 1 A 46 46 VAL C C 46 176.954 178.043 -1.089 1
1 477 . 3 1 1 A 47 47 ALA N N 47 121.963 121.549 0.414 1
1 478 . 3 1 1 A 47 47 ALA H H 47 7.272 7.564 -0.292 1
1 479 . 3 1 1 A 47 47 ALA CA C 47 55.991 55.621 0.370 1
1 480 . 3 1 1 A 47 47 ALA HA H 47 3.576 3.870 -0.294 1
1 481 . 3 1 1 A 47 47 ALA CB C 47 17.292 18.108 -0.816 1
1 485 . 3 1 1 A 47 47 ALA C C 47 178.880 179.869 -0.989 1
1 486 . 3 1 1 A 48 48 GLU N N 48 116.763 118.228 -1.465 1
1 487 . 3 1 1 A 48 48 GLU H H 48 8.081 7.929 0.152 1
1 488 . 3 1 1 A 48 48 GLU CA C 48 60.605 59.593 1.012 1
1 489 . 3 1 1 A 48 48 GLU HA H 48 3.851 3.948 -0.097 1
1 490 . 3 1 1 A 48 48 GLU CB C 48 30.467 29.199 1.268 1
1 496 . 3 1 1 A 48 48 GLU C C 48 180.175 179.184 0.991 1
1 497 . 3 1 1 A 49 49 VAL N N 49 122.024 119.640 2.384 1
1 498 . 3 1 1 A 49 49 VAL H H 49 8.325 7.440 0.885 1
1 499 . 3 1 1 A 49 49 VAL CA C 49 67.146 66.133 1.013 1
1 500 . 3 1 1 A 49 49 VAL HA H 49 3.530 3.589 -0.059 1
1 501 . 3 1 1 A 49 49 VAL CB C 49 31.543 31.431 0.112 1
1 511 . 3 1 1 A 49 49 VAL C C 49 177.168 178.452 -1.284 1
1 512 . 3 1 1 A 50 50 ILE N N 50 117.821 120.698 -2.877 1
1 513 . 3 1 1 A 50 50 ILE H H 50 7.947 8.152 -0.205 1
1 514 . 3 1 1 A 50 50 ILE CA C 50 66.217 65.184 1.033 1
1 515 . 3 1 1 A 50 50 ILE HA H 50 3.757 3.907 -0.150 1
1 516 . 3 1 1 A 50 50 ILE CB C 50 37.952 36.885 1.067 1
1 529 . 3 1 1 A 50 50 ILE C C 50 177.890 177.856 0.034 1
1 530 . 3 1 1 A 51 51 LYS N N 51 121.589 121.258 0.331 1
1 531 . 3 1 1 A 51 51 LYS H H 51 8.790 8.232 0.558 1
1 532 . 3 1 1 A 51 51 LYS CA C 51 58.277 59.657 -1.380 1
1 533 . 3 1 1 A 51 51 LYS HA H 51 3.816 4.242 -0.426 1
1 534 . 3 1 1 A 51 51 LYS CB C 51 32.898 32.427 0.471 1
1 546 . 3 1 1 A 51 51 LYS C C 51 176.668 178.338 -1.670 1
1 547 . 3 1 1 A 52 52 PHE N N 52 117.622 120.522 -2.900 1
1 548 . 3 1 1 A 52 52 PHE H H 52 7.768 7.694 0.074 1
1 549 . 3 1 1 A 52 52 PHE CA C 52 60.585 61.455 -0.870 1
1 550 . 3 1 1 A 52 52 PHE HA H 52 4.090 3.988 0.102 1
1 551 . 3 1 1 A 52 52 PHE CB C 52 38.775 38.662 0.113 1
1 564 . 3 1 1 A 52 52 PHE C C 52 176.831 176.763 0.068 1
1 565 . 3 1 1 A 53 53 TYR N N 53 115.876 116.668 -0.792 1
1 566 . 3 1 1 A 53 53 TYR H H 53 7.346 7.764 -0.418 1
1 567 . 3 1 1 A 53 53 TYR CA C 53 61.264 60.357 0.907 1
1 568 . 3 1 1 A 53 53 TYR HA H 53 3.697 4.181 -0.484 1
1 569 . 3 1 1 A 53 53 TYR CB C 53 41.522 38.376 3.146 1
1 580 . 3 1 1 A 53 53 TYR C C 53 175.972 175.363 0.609 1
1 581 . 3 1 1 A 54 54 PHE N N 54 116.478 116.201 0.277 1
1 582 . 3 1 1 A 54 54 PHE H H 54 8.877 8.379 0.498 1
1 583 . 3 1 1 A 54 54 PHE CA C 54 55.553 55.291 0.262 1
1 584 . 3 1 1 A 54 54 PHE HA H 54 5.173 5.080 0.093 1
1 585 . 3 1 1 A 54 54 PHE CB C 54 40.841 41.194 -0.353 1
1 598 . 3 1 1 A 54 54 PHE C C 54 173.424 174.960 -1.536 1
1 599 . 3 1 1 A 55 55 PRO CA C 55 65.147 65.379 -0.232 1
1 600 . 3 1 1 A 55 55 PRO HA H 55 4.591 4.350 0.241 1
1 601 . 3 1 1 A 55 55 PRO CB C 55 32.014 31.989 0.025 1
1 610 . 3 1 1 A 55 55 PRO C C 55 179.255 179.264 -0.009 1
1 611 . 3 1 1 A 56 56 LYS N N 56 113.672 118.726 -5.054 1
1 612 . 3 1 1 A 56 56 LYS H H 56 8.639 8.340 0.299 1
1 613 . 3 1 1 A 56 56 LYS CA C 56 56.918 59.662 -2.744 1
1 614 . 3 1 1 A 56 56 LYS HA H 56 4.384 4.039 0.345 1
1 615 . 3 1 1 A 56 56 LYS CB C 56 31.868 32.270 -0.402 1
1 627 . 3 1 1 A 56 56 LYS C C 56 178.220 179.703 -1.483 1
1 628 . 3 1 1 A 57 57 MET N N 57 116.692 119.387 -2.695 1
1 629 . 3 1 1 A 57 57 MET H H 57 8.099 8.208 -0.109 1
1 630 . 3 1 1 A 57 57 MET CA C 57 57.537 58.851 -1.314 1
1 631 . 3 1 1 A 57 57 MET HA H 57 4.260 4.234 0.026 1
1 632 . 3 1 1 A 57 57 MET CB C 57 35.400 32.439 2.961 1
1 642 . 3 1 1 A 57 57 MET C C 57 174.856 176.987 -2.131 1
1 643 . 3 1 1 A 58 58 VAL N N 58 114.727 118.954 -4.227 1
1 644 . 3 1 1 A 58 58 VAL H H 58 6.872 7.614 -0.742 1
1 645 . 3 1 1 A 58 58 VAL CA C 58 60.834 62.889 -2.055 1
1 646 . 3 1 1 A 58 58 VAL HA H 58 4.421 4.162 0.259 1
1 647 . 3 1 1 A 58 58 VAL CB C 58 36.223 32.522 3.701 1
1 657 . 3 1 1 A 58 58 VAL C C 58 173.747 175.574 -1.827 1
1 658 . 3 1 1 A 59 59 GLU N N 59 127.314 128.332 -1.018 1
1 659 . 3 1 1 A 59 59 GLU H H 59 8.783 8.895 -0.112 1
1 660 . 3 1 1 A 59 59 GLU CA C 59 54.465 55.304 -0.839 1
1 661 . 3 1 1 A 59 59 GLU HA H 59 4.671 4.911 -0.240 1
1 662 . 3 1 1 A 59 59 GLU CB C 59 30.020 30.542 -0.522 1
1 668 . 3 1 1 A 59 59 GLU C C 59 176.450 176.876 -0.426 1
1 669 . 3 1 1 A 60 60 MET N N 60 122.273 122.287 -0.014 1
1 670 . 3 1 1 A 60 60 MET H H 60 9.004 8.545 0.459 1
1 671 . 3 1 1 A 60 60 MET CA C 60 55.751 58.593 -2.842 1
1 672 . 3 1 1 A 60 60 MET HA H 60 4.613 4.169 0.444 1
1 673 . 3 1 1 A 60 60 MET CB C 60 29.356 33.120 -3.764 1
1 683 . 3 1 1 A 60 60 MET C C 60 178.387 178.440 -0.053 1
1 684 . 3 1 1 A 61 61 HIS N N 61 115.823 121.016 -5.193 1
1 685 . 3 1 1 A 61 61 HIS H H 61 8.198 8.463 -0.265 1
1 686 . 3 1 1 A 61 61 HIS CA C 61 57.963 59.775 -1.812 1
1 687 . 3 1 1 A 61 61 HIS HA H 61 4.341 4.013 0.328 1
1 688 . 3 1 1 A 61 61 HIS CB C 61 29.235 30.156 -0.921 1
1 695 . 3 1 1 A 61 61 HIS C C 61 175.800 176.881 -1.081 1
1 696 . 3 1 1 A 62 62 ASN N N 62 115.093 115.897 -0.804 1
1 697 . 3 1 1 A 62 62 ASN H H 62 6.895 7.288 -0.393 1
1 698 . 3 1 1 A 62 62 ASN CA C 62 54.503 55.060 -0.557 1
1 699 . 3 1 1 A 62 62 ASN HA H 62 3.872 4.452 -0.580 1
1 700 . 3 1 1 A 62 62 ASN CB C 62 38.749 39.122 -0.373 1
1 706 . 3 1 1 A 62 62 ASN C C 62 173.014 175.936 -2.922 1
1 707 . 3 1 1 A 63 63 TYR N N 63 118.560 117.770 0.790 1
1 708 . 3 1 1 A 63 63 TYR H H 63 7.255 7.093 0.162 1
1 709 . 3 1 1 A 63 63 TYR CA C 63 56.311 59.576 -3.265 1
1 710 . 3 1 1 A 63 63 TYR HA H 63 4.481 4.679 -0.198 1
1 711 . 3 1 1 A 63 63 TYR CB C 63 39.138 39.468 -0.330 1
1 722 . 3 1 1 A 63 63 TYR C C 63 173.223 176.262 -3.039 1
1 723 . 3 1 1 A 64 64 VAL N N 64 122.318 123.084 -0.766 1
1 724 . 3 1 1 A 64 64 VAL H H 64 7.750 8.693 -0.943 1
1 725 . 3 1 1 A 64 64 VAL CA C 64 58.601 58.687 -0.086 1
1 726 . 3 1 1 A 64 64 VAL HA H 64 4.469 4.605 -0.136 1
1 727 . 3 1 1 A 64 64 VAL CB C 64 33.747 35.139 -1.392 1
1 737 . 3 1 1 A 64 64 VAL C C 64 173.983 174.041 -0.058 1
1 738 . 3 1 1 A 65 65 PRO CA C 65 63.212 62.392 0.820 1
1 739 . 3 1 1 A 65 65 PRO HA H 65 4.348 4.765 -0.417 1
1 740 . 3 1 1 A 65 65 PRO CB C 65 31.279 31.883 -0.604 1
1 749 . 3 1 1 A 65 65 PRO C C 65 176.821 175.987 0.834 1
1 750 . 3 1 1 A 66 66 ALA N N 66 125.896 125.848 0.048 1
1 751 . 3 1 1 A 66 66 ALA H H 66 8.563 8.474 0.089 1
1 752 . 3 1 1 A 66 66 ALA CA C 66 52.003 50.447 1.556 1
1 753 . 3 1 1 A 66 66 ALA HA H 66 4.651 4.785 -0.134 1
1 754 . 3 1 1 A 66 66 ALA CB C 66 24.137 22.354 1.783 1
1 758 . 3 1 1 A 66 66 ALA C C 66 176.244 177.205 -0.961 1
1 759 . 3 1 1 A 67 67 ASN CA C 67 52.862 55.274 -2.412 1
1 760 . 3 1 1 A 67 67 ASN HA H 67 4.988 4.763 0.225 1
1 761 . 3 1 1 A 67 67 ASN CB C 67 40.168 38.676 1.492 1
1 767 . 3 1 1 A 67 67 ASN C C 67 174.896 176.100 -1.204 1
1 768 . 3 1 1 A 68 68 SER N N 68 114.553 113.364 1.189 1
1 769 . 3 1 1 A 68 68 SER H H 68 7.777 7.848 -0.071 1
1 770 . 3 1 1 A 68 68 SER CA C 68 56.741 58.611 -1.870 1
1 771 . 3 1 1 A 68 68 SER HA H 68 4.737 4.440 0.297 1
1 772 . 3 1 1 A 68 68 SER CB C 68 65.267 64.066 1.201 1
1 775 . 3 1 1 A 68 68 SER C C 68 174.542 175.696 -1.154 1
1 776 . 3 1 1 A 69 69 LEU CA C 69 59.000 57.660 1.340 1
1 777 . 3 1 1 A 69 69 LEU HA H 69 3.961 4.168 -0.207 1
1 778 . 3 1 1 A 69 69 LEU CB C 69 41.679 41.869 -0.190 1
1 791 . 3 1 1 A 69 69 LEU C C 69 178.629 179.254 -0.625 1
1 792 . 3 1 1 A 70 70 GLN N N 70 115.924 119.671 -3.747 1
1 793 . 3 1 1 A 70 70 GLN H H 70 8.785 8.297 0.488 1
1 794 . 3 1 1 A 70 70 GLN CA C 70 59.728 58.661 1.067 1
1 795 . 3 1 1 A 70 70 GLN HA H 70 3.977 4.121 -0.144 1
1 796 . 3 1 1 A 70 70 GLN CB C 70 27.912 28.396 -0.484 1
1 805 . 3 1 1 A 70 70 GLN C C 70 178.954 178.107 0.847 1
1 806 . 3 1 1 A 71 71 GLN N N 71 118.694 119.467 -0.773 1
1 807 . 3 1 1 A 71 71 GLN H H 71 7.780 7.833 -0.053 1
1 808 . 3 1 1 A 71 71 GLN CA C 71 58.233 58.828 -0.595 1
1 809 . 3 1 1 A 71 71 GLN HA H 71 4.219 4.059 0.160 1
1 810 . 3 1 1 A 71 71 GLN CB C 71 29.089 28.579 0.510 1
1 819 . 3 1 1 A 71 71 GLN C C 71 178.724 178.110 0.614 1
1 820 . 3 1 1 A 72 72 LYS N N 72 119.661 118.528 1.133 1
1 821 . 3 1 1 A 72 72 LYS H H 72 8.094 7.813 0.281 1
1 822 . 3 1 1 A 72 72 LYS CA C 72 61.528 59.448 2.080 1
1 823 . 3 1 1 A 72 72 LYS HA H 72 4.206 4.041 0.165 1
1 824 . 3 1 1 A 72 72 LYS CB C 72 33.806 32.337 1.469 1
1 836 . 3 1 1 A 72 72 LYS C C 72 179.041 178.901 0.140 1
1 837 . 3 1 1 A 73 73 LEU N N 73 117.098 120.387 -3.289 1
1 838 . 3 1 1 A 73 73 LEU H H 73 8.602 7.679 0.923 1
1 839 . 3 1 1 A 73 73 LEU CA C 73 58.118 57.889 0.229 1
1 840 . 3 1 1 A 73 73 LEU HA H 73 4.287 4.031 0.256 1
1 841 . 3 1 1 A 73 73 LEU CB C 73 40.831 41.562 -0.731 1
1 854 . 3 1 1 A 73 73 LEU C C 73 180.838 179.016 1.822 1
1 855 . 3 1 1 A 74 74 SER N N 74 118.060 113.772 4.288 1
1 856 . 3 1 1 A 74 74 SER H H 74 8.334 7.932 0.402 1
1 857 . 3 1 1 A 74 74 SER CA C 74 61.971 61.599 0.372 1
1 858 . 3 1 1 A 74 74 SER HA H 74 4.431 3.985 0.446 1
1 859 . 3 1 1 A 74 74 SER CB C 74 62.560 62.975 -0.415 1
1 862 . 3 1 1 A 74 74 SER C C 74 177.493 177.296 0.197 1
1 863 . 3 1 1 A 75 75 ASN N N 75 121.688 119.368 2.320 1
1 864 . 3 1 1 A 75 75 ASN H H 75 8.266 7.913 0.353 1
1 865 . 3 1 1 A 75 75 ASN CA C 75 56.090 56.447 -0.357 1
1 866 . 3 1 1 A 75 75 ASN HA H 75 4.739 4.478 0.261 1
1 867 . 3 1 1 A 75 75 ASN CB C 75 38.184 38.148 0.036 1
1 873 . 3 1 1 A 75 75 ASN C C 75 177.792 177.921 -0.129 1
1 874 . 3 1 1 A 76 76 TRP N N 76 118.943 119.914 -0.971 1
1 875 . 3 1 1 A 76 76 TRP H H 76 8.510 8.276 0.234 1
1 876 . 3 1 1 A 76 76 TRP CA C 76 62.294 59.157 3.137 1
1 877 . 3 1 1 A 76 76 TRP HA H 76 4.173 4.170 0.003 1
1 878 . 3 1 1 A 76 76 TRP CB C 76 29.223 29.229 -0.006 1
1 893 . 3 1 1 A 76 76 TRP C C 76 178.579 179.041 -0.462 1
1 894 . 3 1 1 A 77 77 GLY N N 77 107.789 107.734 0.055 1
1 895 . 3 1 1 A 77 77 GLY H H 77 8.954 8.916 0.038 1
1 896 . 3 1 1 A 77 77 GLY CA C 77 47.600 47.268 0.332 1
1 897 . 3 1 1 A 77 77 GLY HA2 H 77 4.122 3.699 0.423 1
1 898 . 3 1 1 A 77 77 GLY HA3 H 77 3.977 3.788 0.189 1
1 899 . 3 1 1 A 77 77 GLY C C 77 176.076 176.623 -0.547 1
1 900 . 3 1 1 A 78 78 HIS N N 78 122.925 120.202 2.723 1
1 901 . 3 1 1 A 78 78 HIS H H 78 8.127 7.882 0.245 1
1 902 . 3 1 1 A 78 78 HIS CA C 78 61.550 58.417 3.133 1
1 903 . 3 1 1 A 78 78 HIS HA H 78 4.206 4.845 -0.639 1
1 904 . 3 1 1 A 78 78 HIS CB C 78 30.794 29.413 1.381 1
1 911 . 3 1 1 A 78 78 HIS C C 78 177.572 177.922 -0.350 1
1 912 . 3 1 1 A 79 79 LEU N N 79 120.009 120.960 -0.951 1
1 913 . 3 1 1 A 79 79 LEU H H 79 8.726 8.268 0.458 1
1 914 . 3 1 1 A 79 79 LEU CA C 79 58.252 57.552 0.700 1
1 915 . 3 1 1 A 79 79 LEU HA H 79 4.227 4.381 -0.154 1
1 916 . 3 1 1 A 79 79 LEU CB C 79 43.075 41.499 1.576 1
1 929 . 3 1 1 A 79 79 LEU C C 79 181.067 178.540 2.527 1
1 930 . 3 1 1 A 80 80 ASN N N 80 119.257 117.165 2.092 1
1 931 . 3 1 1 A 80 80 ASN H H 80 9.270 7.887 1.383 1
1 932 . 3 1 1 A 80 80 ASN CA C 80 57.279 55.815 1.464 1
1 933 . 3 1 1 A 80 80 ASN HA H 80 4.595 4.661 -0.066 1
1 934 . 3 1 1 A 80 80 ASN CB C 80 40.403 38.913 1.490 1
1 940 . 3 1 1 A 80 80 ASN C C 80 177.177 176.635 0.542 1
1 941 . 3 1 1 A 81 81 ARG N N 81 115.731 117.137 -1.406 1
1 942 . 3 1 1 A 81 81 ARG H H 81 8.085 8.151 -0.066 1
1 943 . 3 1 1 A 81 81 ARG CA C 81 59.249 55.908 3.341 1
1 944 . 3 1 1 A 81 81 ARG HA H 81 4.167 4.625 -0.458 1
1 945 . 3 1 1 A 81 81 ARG CB C 81 31.579 31.175 0.404 1
1 954 . 3 1 1 A 81 81 ARG C C 81 177.890 176.794 1.096 1
1 955 . 3 1 1 A 82 82 LYS N N 82 113.840 117.706 -3.866 1
1 956 . 3 1 1 A 82 82 LYS H H 82 8.691 7.920 0.771 1
1 957 . 3 1 1 A 82 82 LYS CA C 82 56.216 56.979 -0.763 1
1 958 . 3 1 1 A 82 82 LYS HA H 82 4.441 4.422 0.019 1
1 959 . 3 1 1 A 82 82 LYS CB C 82 32.964 34.182 -1.218 1
1 971 . 3 1 1 A 82 82 LYS C C 82 177.543 177.417 0.126 1
1 972 . 3 1 1 A 83 83 VAL N N 83 117.873 118.863 -0.990 1
1 973 . 3 1 1 A 83 83 VAL H H 83 7.786 7.856 -0.070 1
1 974 . 3 1 1 A 83 83 VAL CA C 83 64.939 64.511 0.428 1
1 975 . 3 1 1 A 83 83 VAL HA H 83 4.235 4.120 0.115 1
1 976 . 3 1 1 A 83 83 VAL CB C 83 34.046 31.896 2.150 1
1 986 . 3 1 1 A 83 83 VAL C C 83 176.945 177.796 -0.851 1
1 987 . 3 1 1 A 84 84 LEU N N 84 118.163 119.712 -1.549 1
1 988 . 3 1 1 A 84 84 LEU H H 84 9.200 8.288 0.912 1
1 989 . 3 1 1 A 84 84 LEU CA C 84 58.824 58.174 0.650 1
1 990 . 3 1 1 A 84 84 LEU HA H 84 3.898 3.940 -0.042 1
1 991 . 3 1 1 A 84 84 LEU CB C 84 38.418 41.911 -3.493 1
1 1004 . 3 1 1 A 84 84 LEU C C 84 179.874 178.886 0.988 1
1 1005 . 3 1 1 A 85 85 LYS N N 85 117.114 118.869 -1.755 1
1 1006 . 3 1 1 A 85 85 LYS H H 85 7.303 7.962 -0.659 1
1 1007 . 3 1 1 A 85 85 LYS CA C 85 59.436 59.928 -0.492 1
1 1008 . 3 1 1 A 85 85 LYS HA H 85 4.191 3.992 0.199 1
1 1009 . 3 1 1 A 85 85 LYS CB C 85 33.096 32.474 0.622 1
1 1021 . 3 1 1 A 85 85 LYS C C 85 180.286 178.831 1.455 1
1 1022 . 3 1 1 A 86 86 ARG N N 86 117.181 119.185 -2.004 1
1 1023 . 3 1 1 A 86 86 ARG H H 86 7.216 7.983 -0.767 1
1 1024 . 3 1 1 A 86 86 ARG CA C 86 57.924 59.163 -1.239 1
1 1025 . 3 1 1 A 86 86 ARG HA H 86 4.191 4.042 0.149 1
1 1026 . 3 1 1 A 86 86 ARG CB C 86 29.848 29.768 0.080 1
1 1035 . 3 1 1 A 86 86 ARG C C 86 177.047 178.169 -1.122 1
1 1036 . 3 1 1 A 87 87 LEU N N 87 118.282 117.899 0.383 1
1 1037 . 3 1 1 A 87 87 LEU H H 87 7.584 8.076 -0.492 1
1 1038 . 3 1 1 A 87 87 LEU CA C 87 53.603 54.606 -1.003 1
1 1039 . 3 1 1 A 87 87 LEU HA H 87 4.339 4.410 -0.071 1
1 1040 . 3 1 1 A 87 87 LEU CB C 87 42.059 41.980 0.079 1
1 1053 . 3 1 1 A 87 87 LEU C C 87 175.182 176.201 -1.019 1
1 1054 . 3 1 1 A 88 88 ASN N N 88 115.016 116.964 -1.948 1
1 1055 . 3 1 1 A 88 88 ASN H H 88 7.932 8.044 -0.112 1
1 1056 . 3 1 1 A 88 88 ASN CA C 88 54.081 54.044 0.037 1
1 1057 . 3 1 1 A 88 88 ASN HA H 88 4.384 4.416 -0.032 1
1 1058 . 3 1 1 A 88 88 ASN CB C 88 36.809 37.283 -0.474 1
1 1064 . 3 1 1 A 88 88 ASN C C 88 173.426 174.688 -1.262 1
1 1065 . 3 1 1 A 89 89 PHE N N 89 119.795 118.751 1.044 1
1 1066 . 3 1 1 A 89 89 PHE H H 89 7.739 8.045 -0.306 1
1 1067 . 3 1 1 A 89 89 PHE CA C 89 56.231 57.171 -0.940 1
1 1068 . 3 1 1 A 89 89 PHE HA H 89 4.887 4.977 -0.090 1
1 1069 . 3 1 1 A 89 89 PHE CB C 89 43.188 42.179 1.009 1
1 1082 . 3 1 1 A 89 89 PHE C C 89 172.386 173.772 -1.386 1
1 1083 . 3 1 1 A 90 90 SER N N 90 117.020 122.848 -5.828 1
1 1084 . 3 1 1 A 90 90 SER H H 90 7.301 8.063 -0.762 1
1 1085 . 3 1 1 A 90 90 SER CA C 90 56.762 57.069 -0.307 1
1 1086 . 3 1 1 A 90 90 SER HA H 90 4.667 5.516 -0.849 1
1 1087 . 3 1 1 A 90 90 SER CB C 90 64.885 66.497 -1.612 1
1 1090 . 3 1 1 A 90 90 SER C C 90 172.726 173.271 -0.545 1
1 1091 . 3 1 1 A 91 91 VAL N N 91 126.604 121.821 4.783 1
1 1092 . 3 1 1 A 91 91 VAL H H 91 8.959 8.642 0.317 1
1 1093 . 3 1 1 A 91 91 VAL CA C 91 59.173 59.084 0.089 1
1 1094 . 3 1 1 A 91 91 VAL HA H 91 4.336 4.629 -0.293 1
1 1095 . 3 1 1 A 91 91 VAL CB C 91 33.703 35.842 -2.139 1
1 1105 . 3 1 1 A 91 91 VAL C C 91 173.886 173.596 0.290 1
1 1106 . 3 1 1 A 92 92 PRO CA C 92 62.618 62.695 -0.077 1
1 1107 . 3 1 1 A 92 92 PRO HA H 92 4.481 4.631 -0.150 1
1 1108 . 3 1 1 A 92 92 PRO CB C 92 33.302 32.676 0.626 1
1 1117 . 3 1 1 A 92 92 PRO C C 92 177.410 177.437 -0.027 1
1 1118 . 3 1 1 A 93 93 ASP N N 93 123.319 123.136 0.183 1
1 1119 . 3 1 1 A 93 93 ASP H H 93 8.854 8.769 0.085 1
1 1120 . 3 1 1 A 93 93 ASP CA C 93 58.347 57.038 1.309 1
1 1121 . 3 1 1 A 93 93 ASP HA H 93 4.298 4.298 0.000 1
1 1122 . 3 1 1 A 93 93 ASP CB C 93 40.916 39.755 1.161 1
1 1125 . 3 1 1 A 93 93 ASP C C 93 178.221 178.156 0.065 1
1 1126 . 3 1 1 A 94 94 ASP N N 94 116.740 120.200 -3.460 1
1 1127 . 3 1 1 A 94 94 ASP H H 94 8.955 8.209 0.746 1
1 1128 . 3 1 1 A 94 94 ASP CA C 94 56.851 57.530 -0.679 1
1 1129 . 3 1 1 A 94 94 ASP HA H 94 4.222 4.274 -0.052 1
1 1130 . 3 1 1 A 94 94 ASP CB C 94 39.733 41.590 -1.857 1
1 1133 . 3 1 1 A 94 94 ASP C C 94 178.344 178.834 -0.490 1
1 1134 . 3 1 1 A 95 95 VAL N N 95 121.559 119.142 2.417 1
1 1135 . 3 1 1 A 95 95 VAL H H 95 6.935 8.010 -1.075 1
1 1136 . 3 1 1 A 95 95 VAL CA C 95 66.007 66.614 -0.607 1
1 1137 . 3 1 1 A 95 95 VAL HA H 95 3.378 3.447 -0.069 1
1 1138 . 3 1 1 A 95 95 VAL CB C 95 31.712 31.454 0.258 1
1 1148 . 3 1 1 A 95 95 VAL C C 95 177.153 177.716 -0.563 1
1 1149 . 3 1 1 A 96 96 MET N N 96 118.492 117.494 0.998 1
1 1150 . 3 1 1 A 96 96 MET H H 96 7.993 7.941 0.052 1
1 1151 . 3 1 1 A 96 96 MET CA C 96 60.318 58.590 1.728 1
1 1152 . 3 1 1 A 96 96 MET HA H 96 3.037 3.822 -0.785 1
1 1153 . 3 1 1 A 96 96 MET CB C 96 33.348 32.333 1.015 1
1 1163 . 3 1 1 A 96 96 MET C C 96 176.993 178.809 -1.816 1
1 1164 . 3 1 1 A 97 97 ARG N N 97 116.593 118.829 -2.236 1
1 1165 . 3 1 1 A 97 97 ARG H H 97 7.668 8.055 -0.387 1
1 1166 . 3 1 1 A 97 97 ARG CA C 97 60.372 59.857 0.515 1
1 1167 . 3 1 1 A 97 97 ARG HA H 97 3.772 3.857 -0.085 1
1 1168 . 3 1 1 A 97 97 ARG CB C 97 29.627 29.957 -0.330 1
1 1177 . 3 1 1 A 97 97 ARG C C 97 177.718 178.863 -1.145 1
1 1178 . 3 1 1 A 98 98 LYS N N 98 118.000 119.220 -1.220 1
1 1179 . 3 1 1 A 98 98 LYS H H 98 7.279 7.363 -0.084 1
1 1180 . 3 1 1 A 98 98 LYS CA C 98 59.942 59.232 0.710 1
1 1181 . 3 1 1 A 98 98 LYS HA H 98 4.035 3.934 0.101 1
1 1182 . 3 1 1 A 98 98 LYS CB C 98 33.307 32.248 1.059 1
1 1194 . 3 1 1 A 98 98 LYS C C 98 178.861 179.125 -0.264 1
1 1195 . 3 1 1 A 99 99 ILE N N 99 119.736 120.110 -0.374 1
1 1196 . 3 1 1 A 99 99 ILE H H 99 8.298 7.787 0.511 1
1 1197 . 3 1 1 A 99 99 ILE CA C 99 65.451 65.173 0.278 1
1 1198 . 3 1 1 A 99 99 ILE HA H 99 3.473 3.578 -0.105 1
1 1199 . 3 1 1 A 99 99 ILE CB C 99 38.088 37.243 0.845 1
1 1212 . 3 1 1 A 99 99 ILE C C 99 181.472 178.015 3.457 1
1 1213 . 3 1 1 A 100 100 ALA N N 100 124.832 121.688 3.144 1
1 1214 . 3 1 1 A 100 100 ALA H H 100 8.473 8.017 0.456 1
1 1215 . 3 1 1 A 100 100 ALA CA C 100 54.623 54.337 0.286 1
1 1216 . 3 1 1 A 100 100 ALA HA H 100 4.481 3.984 0.497 1
1 1217 . 3 1 1 A 100 100 ALA CB C 100 19.106 18.194 0.912 1
1 1221 . 3 1 1 A 100 100 ALA C C 100 177.755 179.001 -1.246 1
1 1222 . 3 1 1 A 101 101 GLN N N 101 113.891 114.712 -0.821 1
1 1223 . 3 1 1 A 101 101 GLN H H 101 7.665 7.799 -0.134 1
1 1224 . 3 1 1 A 101 101 GLN CA C 101 55.681 55.379 0.302 1
1 1225 . 3 1 1 A 101 101 GLN HA H 101 4.378 4.430 -0.052 1
1 1226 . 3 1 1 A 101 101 GLN CB C 101 28.879 28.622 0.257 1
1 1235 . 3 1 1 A 101 101 GLN C C 101 175.604 174.680 0.924 1
1 1236 . 3 1 1 A 102 102 CYS N N 102 114.274 115.864 -1.590 1
1 1237 . 3 1 1 A 102 102 CYS H H 102 8.300 8.138 0.162 1
1 1238 . 3 1 1 A 102 102 CYS CA C 102 58.700 60.520 -1.820 1
1 1239 . 3 1 1 A 102 102 CYS HA H 102 4.030 4.479 -0.449 1
1 1240 . 3 1 1 A 102 102 CYS CB C 102 24.987 25.802 -0.815 1
1 1243 . 3 1 1 A 102 102 CYS C C 102 174.186 173.964 0.222 1
1 1244 . 3 1 1 A 103 103 ALA N N 103 123.512 121.444 2.068 1
1 1245 . 3 1 1 A 103 103 ALA H H 103 8.175 7.273 0.902 1
1 1246 . 3 1 1 A 103 103 ALA CA C 103 50.841 50.552 0.289 1
1 1247 . 3 1 1 A 103 103 ALA HA H 103 4.458 4.478 -0.020 1
1 1248 . 3 1 1 A 103 103 ALA CB C 103 18.353 18.787 -0.434 1
1 1252 . 3 1 1 A 103 103 ALA C C 103 175.904 176.047 -0.143 1
1 1253 . 3 1 1 A 104 104 PRO CA C 104 64.290 63.814 0.476 1
1 1254 . 3 1 1 A 104 104 PRO HA H 104 4.315 4.473 -0.158 1
1 1255 . 3 1 1 A 104 104 PRO CB C 104 32.028 31.341 0.687 1
1 1264 . 3 1 1 A 104 104 PRO C C 104 178.173 177.358 0.815 1
1 1265 . 3 1 1 A 105 105 GLY N N 105 113.466 111.323 2.143 1
1 1266 . 3 1 1 A 105 105 GLY H H 105 9.036 8.774 0.262 1
1 1267 . 3 1 1 A 105 105 GLY CA C 105 45.935 45.950 -0.015 1
1 1268 . 3 1 1 A 105 105 GLY HA2 H 105 4.044 3.940 0.104 1
1 1269 . 3 1 1 A 105 105 GLY HA3 H 105 3.832 3.959 -0.127 1
1 1270 . 3 1 1 A 105 105 GLY C C 105 174.928 176.010 -1.082 1
1 1271 . 3 1 1 A 106 106 VAL N N 106 117.991 121.215 -3.224 1
1 1272 . 3 1 1 A 106 106 VAL H H 106 6.964 8.152 -1.188 1
1 1273 . 3 1 1 A 106 106 VAL CA C 106 66.071 66.636 -0.565 1
1 1274 . 3 1 1 A 106 106 VAL HA H 106 3.842 3.637 0.205 1
1 1275 . 3 1 1 A 106 106 VAL CB C 106 31.337 31.607 -0.270 1
1 1285 . 3 1 1 A 106 106 VAL C C 106 178.061 178.105 -0.044 1
1 1286 . 3 1 1 A 107 107 VAL N N 107 121.474 120.774 0.700 1
1 1287 . 3 1 1 A 107 107 VAL H H 107 9.039 8.240 0.799 1
1 1288 . 3 1 1 A 107 107 VAL CA C 107 65.971 65.316 0.655 1
1 1289 . 3 1 1 A 107 107 VAL HA H 107 3.743 3.762 -0.019 1
1 1290 . 3 1 1 A 107 107 VAL CB C 107 30.959 31.449 -0.490 1
1 1300 . 3 1 1 A 107 107 VAL C C 107 177.629 178.180 -0.551 1
1 1301 . 3 1 1 A 108 108 GLU N N 108 126.242 121.616 4.626 1
1 1302 . 3 1 1 A 108 108 GLU H H 108 11.107 8.545 2.562 1
1 1303 . 3 1 1 A 108 108 GLU CA C 108 62.429 59.597 2.832 1
1 1304 . 3 1 1 A 108 108 GLU HA H 108 3.584 4.120 -0.536 1
1 1305 . 3 1 1 A 108 108 GLU CB C 108 28.863 29.048 -0.185 1
1 1311 . 3 1 1 A 108 108 GLU C C 108 176.878 179.643 -2.765 1
1 1312 . 3 1 1 A 109 109 LEU N N 109 114.111 119.868 -5.757 1
1 1313 . 3 1 1 A 109 109 LEU H H 109 7.474 8.629 -1.155 1
1 1314 . 3 1 1 A 109 109 LEU CA C 109 56.293 57.682 -1.389 1
1 1315 . 3 1 1 A 109 109 LEU HA H 109 4.024 4.172 -0.148 1
1 1316 . 3 1 1 A 109 109 LEU CB C 109 40.846 41.783 -0.937 1
1 1329 . 3 1 1 A 109 109 LEU C C 109 178.647 178.101 0.546 1
1 1330 . 3 1 1 A 110 110 VAL N N 110 116.984 118.245 -1.261 1
1 1331 . 3 1 1 A 110 110 VAL H H 110 7.557 8.049 -0.492 1
1 1332 . 3 1 1 A 110 110 VAL CA C 110 64.274 64.098 0.176 1
1 1333 . 3 1 1 A 110 110 VAL HA H 110 4.206 4.273 -0.067 1
1 1334 . 3 1 1 A 110 110 VAL CB C 110 33.070 32.541 0.529 1
1 1344 . 3 1 1 A 110 110 VAL C C 110 176.435 177.569 -1.134 1
1 1345 . 3 1 1 A 111 111 LEU N N 111 118.461 121.107 -2.646 1
1 1346 . 3 1 1 A 111 111 LEU H H 111 8.453 8.030 0.423 1
1 1347 . 3 1 1 A 111 111 LEU CA C 111 58.047 57.798 0.249 1
1 1348 . 3 1 1 A 111 111 LEU HA H 111 4.003 4.207 -0.204 1
1 1349 . 3 1 1 A 111 111 LEU CB C 111 43.552 41.573 1.979 1
1 1362 . 3 1 1 A 111 111 LEU C C 111 177.274 179.234 -1.960 1
1 1363 . 3 1 1 A 112 112 ILE N N 112 115.835 119.313 -3.478 1
1 1364 . 3 1 1 A 112 112 ILE H H 112 7.850 7.883 -0.033 1
1 1365 . 3 1 1 A 112 112 ILE CA C 112 67.843 66.567 1.276 1
1 1366 . 3 1 1 A 112 112 ILE HA H 112 3.636 3.694 -0.058 1
1 1367 . 3 1 1 A 112 112 ILE CB C 112 36.504 35.994 0.510 1
1 1380 . 3 1 1 A 112 112 ILE C C 112 176.487 175.320 1.167 1
1 1381 . 3 1 1 A 113 113 PRO CA C 113 64.872 65.294 -0.422 1
1 1382 . 3 1 1 A 113 113 PRO HA H 113 4.420 4.404 0.016 1
1 1383 . 3 1 1 A 113 113 PRO CB C 113 30.348 31.523 -1.175 1
1 1392 . 3 1 1 A 113 113 PRO C C 113 179.001 178.817 0.184 1
1 1393 . 3 1 1 A 114 114 LEU N N 114 120.690 118.272 2.418 1
1 1394 . 3 1 1 A 114 114 LEU H H 114 7.672 7.218 0.454 1
1 1395 . 3 1 1 A 114 114 LEU CA C 114 58.337 57.267 1.070 1
1 1396 . 3 1 1 A 114 114 LEU HA H 114 3.490 3.821 -0.331 1
1 1397 . 3 1 1 A 114 114 LEU CB C 114 41.840 41.722 0.118 1
1 1410 . 3 1 1 A 114 114 LEU C C 114 177.486 177.990 -0.504 1
1 1411 . 3 1 1 A 115 115 ARG N N 115 119.039 118.829 0.210 1
1 1412 . 3 1 1 A 115 115 ARG H H 115 8.159 7.607 0.552 1
1 1413 . 3 1 1 A 115 115 ARG CA C 115 60.199 59.015 1.184 1
1 1414 . 3 1 1 A 115 115 ARG HA H 115 3.215 3.831 -0.616 1
1 1415 . 3 1 1 A 115 115 ARG CB C 115 28.049 29.281 -1.232 1
1 1426 . 3 1 1 A 115 115 ARG C C 115 177.460 177.810 -0.350 1
1 1427 . 3 1 1 A 116 116 GLN N N 116 115.221 117.023 -1.802 1
1 1428 . 3 1 1 A 116 116 GLN H H 116 6.825 8.002 -1.177 1
1 1429 . 3 1 1 A 116 116 GLN CA C 116 58.838 58.699 0.139 1
1 1430 . 3 1 1 A 116 116 GLN HA H 116 3.830 3.960 -0.130 1
1 1431 . 3 1 1 A 116 116 GLN CB C 116 27.871 28.532 -0.661 1
1 1440 . 3 1 1 A 116 116 GLN C C 116 178.648 177.864 0.784 1
1 1441 . 3 1 1 A 117 117 ARG N N 117 118.476 119.901 -1.425 1
1 1442 . 3 1 1 A 117 117 ARG H H 117 8.028 7.420 0.608 1
1 1443 . 3 1 1 A 117 117 ARG CA C 117 57.607 59.312 -1.705 1
1 1444 . 3 1 1 A 117 117 ARG HA H 117 4.117 4.074 0.043 1
1 1445 . 3 1 1 A 117 117 ARG CB C 117 30.040 30.234 -0.194 1
1 1454 . 3 1 1 A 117 117 ARG C C 117 179.370 178.472 0.898 1
1 1455 . 3 1 1 A 118 118 LEU N N 118 120.407 120.190 0.217 1
1 1456 . 3 1 1 A 118 118 LEU H H 118 8.533 7.698 0.835 1
1 1457 . 3 1 1 A 118 118 LEU CA C 118 58.295 57.677 0.618 1
1 1458 . 3 1 1 A 118 118 LEU HA H 118 3.950 3.907 0.043 1
1 1459 . 3 1 1 A 118 118 LEU CB C 118 40.472 41.363 -0.891 1
1 1472 . 3 1 1 A 118 118 LEU C C 118 178.577 178.677 -0.100 1
1 1473 . 3 1 1 A 119 119 GLU N N 119 116.858 116.750 0.108 1
1 1474 . 3 1 1 A 119 119 GLU H H 119 8.220 8.016 0.204 1
1 1475 . 3 1 1 A 119 119 GLU CA C 119 59.441 59.773 -0.332 1
1 1476 . 3 1 1 A 119 119 GLU HA H 119 4.047 3.788 0.259 1
1 1477 . 3 1 1 A 119 119 GLU CB C 119 29.271 29.212 0.059 1
1 1483 . 3 1 1 A 119 119 GLU C C 119 179.631 179.164 0.467 1
1 1484 . 3 1 1 A 120 120 GLU N N 120 119.797 119.758 0.039 1
1 1485 . 3 1 1 A 120 120 GLU H H 120 8.199 8.591 -0.392 1
1 1486 . 3 1 1 A 120 120 GLU CA C 120 59.223 59.542 -0.319 1
1 1487 . 3 1 1 A 120 120 GLU HA H 120 4.062 4.027 0.035 1
1 1488 . 3 1 1 A 120 120 GLU CB C 120 29.562 29.025 0.537 1
1 1494 . 3 1 1 A 120 120 GLU C C 120 178.823 179.296 -0.473 1
1 1495 . 3 1 1 A 121 121 ARG N N 121 118.760 119.465 -0.705 1
1 1496 . 3 1 1 A 121 121 ARG H H 121 7.928 7.985 -0.057 1
1 1497 . 3 1 1 A 121 121 ARG CA C 121 58.065 59.511 -1.446 1
1 1498 . 3 1 1 A 121 121 ARG HA H 121 4.136 4.225 -0.089 1
1 1499 . 3 1 1 A 121 121 ARG CB C 121 29.478 30.674 -1.196 1
1 1508 . 3 1 1 A 121 121 ARG C C 121 178.426 178.701 -0.275 1
1 1509 . 3 1 1 A 122 122 GLN N N 122 119.430 119.622 -0.192 1
1 1510 . 3 1 1 A 122 122 GLN H H 122 8.323 8.359 -0.036 1
1 1511 . 3 1 1 A 122 122 GLN CA C 122 58.489 59.307 -0.818 1
1 1512 . 3 1 1 A 122 122 GLN HA H 122 4.352 4.168 0.184 1
1 1513 . 3 1 1 A 122 122 GLN CB C 122 29.611 28.684 0.927 1
1 1522 . 3 1 1 A 122 122 GLN C C 122 177.291 175.714 1.577 1
1 1523 . 3 1 1 A 123 123 ARG N N 123 118.341 115.984 2.357 1
1 1524 . 3 1 1 A 123 123 ARG H H 123 7.920 7.807 0.113 1
1 1525 . 3 1 1 A 123 123 ARG CA C 123 57.695 56.056 1.639 1
1 1526 . 3 1 1 A 123 123 ARG HA H 123 4.266 4.499 -0.233 1
1 1527 . 3 1 1 A 123 123 ARG CB C 123 30.671 31.446 -0.775 1
1 1536 . 3 1 1 A 123 123 ARG C C 123 177.214 175.426 1.788 1
1 1537 . 3 1 1 A 124 124 ARG N N 124 119.452 119.124 0.328 1
1 1538 . 3 1 1 A 124 124 ARG H H 124 7.850 8.683 -0.833 1
1 1539 . 3 1 1 A 124 124 ARG CA C 124 56.814 54.167 2.647 1
1 1540 . 3 1 1 A 124 124 ARG HA H 124 4.300 5.071 -0.771 1
1 1541 . 3 1 1 A 124 124 ARG CB C 124 30.672 34.401 -3.729 1
1 1550 . 3 1 1 A 124 124 ARG C C 124 176.540 175.120 1.420 1
1 1551 . 3 1 1 A 125 125 ARG N N 125 120.963 121.838 -0.875 1
1 1552 . 3 1 1 A 125 125 ARG H H 125 8.081 8.396 -0.315 1
1 1553 . 3 1 1 A 125 125 ARG CA C 125 56.514 55.481 1.033 1
1 1554 . 3 1 1 A 125 125 ARG HA H 125 4.355 4.554 -0.199 1
1 1555 . 3 1 1 A 125 125 ARG CB C 125 30.694 31.694 -1.000 1
1 1564 . 3 1 1 A 125 125 ARG C C 125 176.133 176.655 -0.522 1
1 1565 . 3 1 1 A 126 126 LYS N N 126 122.811 120.851 1.960 1
1 1566 . 3 1 1 A 126 126 LYS H H 126 8.252 8.710 -0.458 1
1 1567 . 3 1 1 A 126 126 LYS CA C 126 56.430 55.955 0.475 1
1 1568 . 3 1 1 A 126 126 LYS HA H 126 4.351 4.425 -0.074 1
1 1569 . 3 1 1 A 126 126 LYS CB C 126 33.017 33.323 -0.306 1
1 1581 . 3 1 1 A 126 126 LYS C C 126 175.649 177.166 -1.517 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.715 57.922 0.793 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.472 4.763 -0.291 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.934 64.135 -0.201 1
1 6 . 4 1 1 A 6 6 SER C C 6 174.927 173.794 1.133 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.435 110.424 0.011 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.348 8.387 -0.039 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.364 45.960 -0.596 1
1 10 . 4 1 1 A 7 7 GLY HA2 H 7 3.919 4.135 -0.216 1
1 11 . 4 1 1 A 7 7 GLY HA3 H 7 3.919 4.136 -0.217 1
1 12 . 4 1 1 A 7 7 GLY C C 7 173.952 171.824 2.128 1
1 13 . 4 1 1 A 8 8 MET N N 8 119.481 121.552 -2.071 1
1 14 . 4 1 1 A 8 8 MET H H 8 8.163 8.907 -0.744 1
1 15 . 4 1 1 A 8 8 MET CA C 8 55.472 54.420 1.052 1
1 16 . 4 1 1 A 8 8 MET HA H 8 4.486 5.035 -0.549 1
1 17 . 4 1 1 A 8 8 MET CB C 8 33.598 35.525 -1.927 1
1 27 . 4 1 1 A 8 8 MET C C 8 176.019 173.952 2.067 1
1 28 . 4 1 1 A 9 9 ALA N N 9 125.433 122.677 2.756 1
1 29 . 4 1 1 A 9 9 ALA H H 9 8.436 8.538 -0.102 1
1 30 . 4 1 1 A 9 9 ALA CA C 9 52.481 51.058 1.423 1
1 31 . 4 1 1 A 9 9 ALA HA H 9 4.381 4.696 -0.315 1
1 32 . 4 1 1 A 9 9 ALA CB C 9 19.322 19.253 0.069 1
1 36 . 4 1 1 A 9 9 ALA C C 9 177.349 176.519 0.830 1
1 37 . 4 1 1 A 10 10 SER N N 10 114.383 121.441 -7.058 1
1 38 . 4 1 1 A 10 10 SER H H 10 8.372 8.962 -0.590 1
1 39 . 4 1 1 A 10 10 SER CA C 10 58.607 57.426 1.181 1
1 40 . 4 1 1 A 10 10 SER HA H 10 4.470 4.965 -0.495 1
1 41 . 4 1 1 A 10 10 SER CB C 10 63.979 65.685 -1.706 1
1 44 . 4 1 1 A 10 10 SER C C 10 174.323 173.444 0.879 1
1 45 . 4 1 1 A 11 11 SER N N 11 116.549 117.747 -1.198 1
1 46 . 4 1 1 A 11 11 SER H H 11 8.111 8.676 -0.565 1
1 47 . 4 1 1 A 11 11 SER CA C 11 58.189 58.265 -0.076 1
1 48 . 4 1 1 A 11 11 SER HA H 11 4.487 4.422 0.065 1
1 49 . 4 1 1 A 11 11 SER CB C 11 64.081 63.946 0.135 1
1 52 . 4 1 1 A 11 11 SER C C 11 173.692 174.294 -0.602 1
1 53 . 4 1 1 A 12 12 VAL N N 12 120.502 122.319 -1.817 1
1 54 . 4 1 1 A 12 12 VAL H H 12 8.207 8.195 0.012 1
1 55 . 4 1 1 A 12 12 VAL CA C 12 61.847 63.347 -1.500 1
1 56 . 4 1 1 A 12 12 VAL HA H 12 4.150 3.926 0.224 1
1 57 . 4 1 1 A 12 12 VAL CB C 12 33.269 32.053 1.216 1
1 67 . 4 1 1 A 12 12 VAL C C 12 174.930 175.457 -0.527 1
1 68 . 4 1 1 A 13 13 ASP N N 13 124.104 126.216 -2.112 1
1 69 . 4 1 1 A 13 13 ASP H H 13 7.953 8.381 -0.428 1
1 70 . 4 1 1 A 13 13 ASP CA C 13 53.249 51.844 1.405 1
1 71 . 4 1 1 A 13 13 ASP HA H 13 4.661 5.022 -0.361 1
1 72 . 4 1 1 A 13 13 ASP CB C 13 41.891 42.473 -0.582 1
1 75 . 4 1 1 A 13 13 ASP C C 13 176.009 177.051 -1.042 1
1 76 . 4 1 1 A 14 14 GLU N N 14 120.197 117.532 2.665 1
1 77 . 4 1 1 A 14 14 GLU H H 14 8.568 9.076 -0.508 1
1 78 . 4 1 1 A 14 14 GLU CA C 14 59.932 58.962 0.970 1
1 79 . 4 1 1 A 14 14 GLU HA H 14 3.944 4.097 -0.153 1
1 80 . 4 1 1 A 14 14 GLU CB C 14 29.670 29.089 0.581 1
1 86 . 4 1 1 A 14 14 GLU C C 14 178.863 178.736 0.127 1
1 87 . 4 1 1 A 15 15 GLU N N 15 120.713 119.594 1.119 1
1 88 . 4 1 1 A 15 15 GLU H H 15 8.312 8.271 0.041 1
1 89 . 4 1 1 A 15 15 GLU CA C 15 59.101 59.512 -0.411 1
1 90 . 4 1 1 A 15 15 GLU HA H 15 4.244 4.144 0.100 1
1 91 . 4 1 1 A 15 15 GLU CB C 15 28.917 29.239 -0.322 1
1 97 . 4 1 1 A 15 15 GLU C C 15 178.511 179.234 -0.723 1
1 98 . 4 1 1 A 16 16 ALA N N 16 123.041 122.088 0.953 1
1 99 . 4 1 1 A 16 16 ALA H H 16 8.047 8.249 -0.202 1
1 100 . 4 1 1 A 16 16 ALA CA C 16 54.830 55.144 -0.314 1
1 101 . 4 1 1 A 16 16 ALA HA H 16 4.093 4.126 -0.033 1
1 102 . 4 1 1 A 16 16 ALA CB C 16 18.371 18.589 -0.218 1
1 106 . 4 1 1 A 16 16 ALA C C 16 181.428 180.020 1.408 1
1 107 . 4 1 1 A 17 17 LEU N N 17 119.436 118.270 1.166 1
1 108 . 4 1 1 A 17 17 LEU H H 17 8.042 7.587 0.455 1
1 109 . 4 1 1 A 17 17 LEU CA C 17 57.623 57.874 -0.251 1
1 110 . 4 1 1 A 17 17 LEU HA H 17 3.838 4.072 -0.234 1
1 111 . 4 1 1 A 17 17 LEU CB C 17 41.323 42.604 -1.281 1
1 124 . 4 1 1 A 17 17 LEU C C 17 177.590 179.241 -1.651 1
1 125 . 4 1 1 A 18 18 HIS N N 18 118.394 117.773 0.621 1
1 126 . 4 1 1 A 18 18 HIS H H 18 8.182 7.860 0.322 1
1 127 . 4 1 1 A 18 18 HIS CA C 18 59.415 60.262 -0.847 1
1 128 . 4 1 1 A 18 18 HIS HA H 18 4.435 4.024 0.411 1
1 129 . 4 1 1 A 18 18 HIS CB C 18 29.560 29.625 -0.065 1
1 136 . 4 1 1 A 18 18 HIS C C 18 178.114 176.758 1.356 1
1 137 . 4 1 1 A 19 19 GLN N N 19 115.623 116.745 -1.122 1
1 138 . 4 1 1 A 19 19 GLN H H 19 8.178 8.241 -0.063 1
1 139 . 4 1 1 A 19 19 GLN CA C 19 58.406 59.050 -0.644 1
1 140 . 4 1 1 A 19 19 GLN HA H 19 3.904 3.686 0.218 1
1 141 . 4 1 1 A 19 19 GLN CB C 19 28.118 28.284 -0.166 1
1 150 . 4 1 1 A 19 19 GLN C C 19 179.132 178.458 0.674 1
1 151 . 4 1 1 A 20 20 LEU N N 20 122.817 121.741 1.076 1
1 152 . 4 1 1 A 20 20 LEU H H 20 7.949 8.047 -0.098 1
1 153 . 4 1 1 A 20 20 LEU CA C 20 58.278 57.937 0.341 1
1 154 . 4 1 1 A 20 20 LEU HA H 20 4.233 4.086 0.147 1
1 155 . 4 1 1 A 20 20 LEU CB C 20 40.850 41.852 -1.002 1
1 168 . 4 1 1 A 20 20 LEU C C 20 178.466 178.420 0.046 1
1 169 . 4 1 1 A 21 21 TYR N N 21 118.825 118.888 -0.063 1
1 170 . 4 1 1 A 21 21 TYR H H 21 8.376 8.244 0.132 1
1 171 . 4 1 1 A 21 21 TYR CA C 21 60.605 60.615 -0.010 1
1 172 . 4 1 1 A 21 21 TYR HA H 21 4.286 4.236 0.050 1
1 173 . 4 1 1 A 21 21 TYR CB C 21 36.667 38.084 -1.417 1
1 184 . 4 1 1 A 21 21 TYR C C 21 178.654 178.117 0.537 1
1 185 . 4 1 1 A 22 22 LEU N N 22 118.954 119.827 -0.873 1
1 186 . 4 1 1 A 22 22 LEU H H 22 7.869 8.298 -0.429 1
1 187 . 4 1 1 A 22 22 LEU CA C 22 57.887 58.306 -0.419 1
1 188 . 4 1 1 A 22 22 LEU HA H 22 4.076 3.818 0.258 1
1 189 . 4 1 1 A 22 22 LEU CB C 22 42.250 41.348 0.902 1
1 202 . 4 1 1 A 22 22 LEU C C 22 178.877 178.662 0.215 1
1 203 . 4 1 1 A 23 23 TRP N N 23 120.668 119.847 0.821 1
1 204 . 4 1 1 A 23 23 TRP H H 23 7.804 8.036 -0.232 1
1 205 . 4 1 1 A 23 23 TRP CA C 23 60.711 61.252 -0.541 1
1 206 . 4 1 1 A 23 23 TRP HA H 23 4.436 4.125 0.311 1
1 207 . 4 1 1 A 23 23 TRP CB C 23 28.035 29.500 -1.465 1
1 222 . 4 1 1 A 23 23 TRP C C 23 178.471 178.206 0.265 1
1 223 . 4 1 1 A 24 24 VAL N N 24 116.831 119.363 -2.532 1
1 224 . 4 1 1 A 24 24 VAL H H 24 8.503 8.053 0.450 1
1 225 . 4 1 1 A 24 24 VAL CA C 24 66.014 66.400 -0.386 1
1 226 . 4 1 1 A 24 24 VAL HA H 24 3.084 3.127 -0.043 1
1 227 . 4 1 1 A 24 24 VAL CB C 24 31.826 31.193 0.633 1
1 237 . 4 1 1 A 24 24 VAL C C 24 178.212 177.852 0.360 1
1 238 . 4 1 1 A 25 25 ASP N N 25 117.894 120.471 -2.577 1
1 239 . 4 1 1 A 25 25 ASP H H 25 8.140 8.197 -0.057 1
1 240 . 4 1 1 A 25 25 ASP CA C 25 57.043 57.752 -0.709 1
1 241 . 4 1 1 A 25 25 ASP HA H 25 4.290 4.221 0.069 1
1 242 . 4 1 1 A 25 25 ASP CB C 25 41.067 42.174 -1.107 1
1 245 . 4 1 1 A 25 25 ASP C C 25 177.163 178.165 -1.002 1
1 246 . 4 1 1 A 26 26 ASN N N 26 114.914 116.758 -1.844 1
1 247 . 4 1 1 A 26 26 ASN H H 26 7.229 7.930 -0.701 1
1 248 . 4 1 1 A 26 26 ASN CA C 26 53.375 55.821 -2.446 1
1 249 . 4 1 1 A 26 26 ASN HA H 26 4.607 4.434 0.173 1
1 250 . 4 1 1 A 26 26 ASN CB C 26 40.048 38.706 1.342 1
1 256 . 4 1 1 A 26 26 ASN C C 26 174.227 175.516 -1.289 1
1 257 . 4 1 1 A 27 27 ILE N N 27 123.268 118.924 4.344 1
1 258 . 4 1 1 A 27 27 ILE H H 27 7.212 7.426 -0.214 1
1 259 . 4 1 1 A 27 27 ILE CA C 27 58.327 59.240 -0.913 1
1 260 . 4 1 1 A 27 27 ILE HA H 27 3.628 4.157 -0.529 1
1 261 . 4 1 1 A 27 27 ILE CB C 27 39.403 37.887 1.516 1
1 274 . 4 1 1 A 27 27 ILE C C 27 173.764 175.836 -2.072 1
1 275 . 4 1 1 A 28 28 PRO CA C 28 62.584 63.478 -0.894 1
1 276 . 4 1 1 A 28 28 PRO HA H 28 4.354 4.553 -0.199 1
1 277 . 4 1 1 A 28 28 PRO CB C 28 30.056 31.800 -1.744 1
1 286 . 4 1 1 A 28 28 PRO C C 28 175.419 176.330 -0.911 1
1 287 . 4 1 1 A 29 29 LEU N N 29 125.355 121.068 4.287 1
1 288 . 4 1 1 A 29 29 LEU H H 29 8.118 7.294 0.824 1
1 289 . 4 1 1 A 29 29 LEU CA C 29 53.358 55.267 -1.909 1
1 290 . 4 1 1 A 29 29 LEU HA H 29 4.748 4.250 0.498 1
1 291 . 4 1 1 A 29 29 LEU CB C 29 45.279 42.105 3.174 1
1 304 . 4 1 1 A 29 29 LEU C C 29 178.577 176.770 1.807 1
1 305 . 4 1 1 A 31 31 ARG CA C 31 53.250 54.548 -1.298 1
1 306 . 4 1 1 A 31 31 ARG HA H 31 4.787 4.384 0.403 1
1 307 . 4 1 1 A 31 31 ARG CB C 31 32.107 29.808 2.299 1
1 316 . 4 1 1 A 32 32 PRO CA C 32 62.865 62.317 0.548 1
1 317 . 4 1 1 A 32 32 PRO HA H 32 4.300 4.647 -0.347 1
1 318 . 4 1 1 A 32 32 PRO CB C 32 32.193 33.282 -1.089 1
1 327 . 4 1 1 A 33 33 LYS CA C 33 56.154 57.328 -1.174 1
1 328 . 4 1 1 A 33 33 LYS HA H 33 4.361 4.380 -0.019 1
1 329 . 4 1 1 A 33 33 LYS CB C 33 32.368 34.013 -1.645 1
1 341 . 4 1 1 A 34 34 ARG N N 34 122.768 119.150 3.618 1
1 342 . 4 1 1 A 34 34 ARG H H 34 8.410 7.601 0.809 1
1 343 . 4 1 1 A 34 34 ARG HA H 34 4.336 4.419 -0.083 1
1 344 . 4 1 1 A 34 34 ARG CB C 34 31.894 31.187 0.707 1
1 349 . 4 1 1 A 35 35 ASN CA C 35 53.153 53.910 -0.757 1
1 350 . 4 1 1 A 35 35 ASN HA H 35 4.771 4.551 0.220 1
1 351 . 4 1 1 A 35 35 ASN CB C 35 39.425 40.116 -0.691 1
1 357 . 4 1 1 A 36 36 LEU N N 36 110.943 127.251 -16.308 1
1 358 . 4 1 1 A 36 36 LEU H H 36 8.305 8.795 -0.490 1
1 359 . 4 1 1 A 36 36 LEU CA C 36 60.191 58.010 2.181 1
1 360 . 4 1 1 A 36 36 LEU HA H 36 4.140 4.407 -0.267 1
1 361 . 4 1 1 A 36 36 LEU CB C 36 41.876 42.099 -0.223 1
1 374 . 4 1 1 A 37 37 SER CA C 37 61.673 61.775 -0.102 1
1 375 . 4 1 1 A 37 37 SER HA H 37 4.080 4.139 -0.059 1
1 376 . 4 1 1 A 37 37 SER CB C 37 62.700 63.085 -0.385 1
1 379 . 4 1 1 A 38 38 ARG N N 38 119.288 121.885 -2.597 1
1 380 . 4 1 1 A 38 38 ARG H H 38 7.773 8.025 -0.252 1
1 381 . 4 1 1 A 38 38 ARG HA H 38 4.587 4.214 0.373 1
1 384 . 4 1 1 A 39 39 ASP N N 39 121.607 119.954 1.653 1
1 385 . 4 1 1 A 39 39 ASP H H 39 9.487 7.992 1.495 1
1 386 . 4 1 1 A 39 39 ASP CA C 39 58.026 57.164 0.862 1
1 387 . 4 1 1 A 39 39 ASP HA H 39 4.518 4.340 0.178 1
1 388 . 4 1 1 A 39 39 ASP CB C 39 40.039 40.635 -0.596 1
1 391 . 4 1 1 A 40 40 PHE N N 40 115.310 118.588 -3.278 1
1 392 . 4 1 1 A 40 40 PHE H H 40 8.300 8.700 -0.400 1
1 393 . 4 1 1 A 40 40 PHE CA C 40 59.420 60.592 -1.172 1
1 394 . 4 1 1 A 40 40 PHE HA H 40 4.605 4.333 0.272 1
1 395 . 4 1 1 A 40 40 PHE CB C 40 39.030 38.844 0.186 1
1 408 . 4 1 1 A 41 41 SER N N 41 115.417 114.694 0.723 1
1 409 . 4 1 1 A 41 41 SER H H 41 7.441 8.693 -1.252 1
1 410 . 4 1 1 A 41 41 SER CA C 41 62.290 61.538 0.752 1
1 411 . 4 1 1 A 41 41 SER HA H 41 4.341 4.240 0.101 1
1 412 . 4 1 1 A 41 41 SER CB C 41 64.510 63.242 1.268 1
1 415 . 4 1 1 A 42 42 ASP N N 42 117.563 119.992 -2.429 1
1 416 . 4 1 1 A 42 42 ASP H H 42 8.726 7.803 0.923 1
1 417 . 4 1 1 A 42 42 ASP CA C 42 53.746 55.678 -1.932 1
1 418 . 4 1 1 A 42 42 ASP HA H 42 4.780 4.527 0.253 1
1 419 . 4 1 1 A 42 42 ASP CB C 42 42.695 41.026 1.669 1
1 422 . 4 1 1 A 42 42 ASP C C 42 176.013 176.234 -0.221 1
1 423 . 4 1 1 A 43 43 GLY N N 43 106.643 107.457 -0.814 1
1 424 . 4 1 1 A 43 43 GLY H H 43 7.388 7.870 -0.482 1
1 425 . 4 1 1 A 43 43 GLY CA C 43 45.230 44.845 0.385 1
1 426 . 4 1 1 A 43 43 GLY HA2 H 43 3.131 2.956 0.175 1
1 427 . 4 1 1 A 43 43 GLY HA3 H 43 2.588 3.558 -0.970 1
1 428 . 4 1 1 A 43 43 GLY C C 43 173.476 175.651 -2.175 1
1 429 . 4 1 1 A 44 44 VAL N N 44 121.300 120.273 1.027 1
1 430 . 4 1 1 A 44 44 VAL H H 44 7.874 7.936 -0.062 1
1 431 . 4 1 1 A 44 44 VAL CA C 44 67.198 65.483 1.715 1
1 432 . 4 1 1 A 44 44 VAL HA H 44 3.018 3.418 -0.400 1
1 433 . 4 1 1 A 44 44 VAL CB C 44 31.139 31.616 -0.477 1
1 443 . 4 1 1 A 44 44 VAL C C 44 177.853 177.679 0.174 1
1 444 . 4 1 1 A 45 45 LEU N N 45 114.495 120.786 -6.291 1
1 445 . 4 1 1 A 45 45 LEU H H 45 8.945 8.086 0.859 1
1 446 . 4 1 1 A 45 45 LEU CA C 45 57.466 58.092 -0.626 1
1 447 . 4 1 1 A 45 45 LEU HA H 45 3.838 3.797 0.041 1
1 448 . 4 1 1 A 45 45 LEU CB C 45 40.503 41.397 -0.894 1
1 461 . 4 1 1 A 45 45 LEU C C 45 179.257 178.528 0.729 1
1 462 . 4 1 1 A 46 46 VAL N N 46 118.354 119.358 -1.004 1
1 463 . 4 1 1 A 46 46 VAL H H 46 7.422 7.364 0.058 1
1 464 . 4 1 1 A 46 46 VAL CA C 46 67.288 66.668 0.620 1
1 465 . 4 1 1 A 46 46 VAL HA H 46 3.469 3.417 0.052 1
1 466 . 4 1 1 A 46 46 VAL CB C 46 30.173 31.469 -1.296 1
1 476 . 4 1 1 A 46 46 VAL C C 46 176.954 177.852 -0.898 1
1 477 . 4 1 1 A 47 47 ALA N N 47 121.963 121.516 0.447 1
1 478 . 4 1 1 A 47 47 ALA H H 47 7.272 7.627 -0.355 1
1 479 . 4 1 1 A 47 47 ALA CA C 47 55.991 55.662 0.329 1
1 480 . 4 1 1 A 47 47 ALA HA H 47 3.576 3.873 -0.297 1
1 481 . 4 1 1 A 47 47 ALA CB C 47 17.292 18.248 -0.956 1
1 485 . 4 1 1 A 47 47 ALA C C 47 178.880 180.140 -1.260 1
1 486 . 4 1 1 A 48 48 GLU N N 48 116.763 118.102 -1.339 1
1 487 . 4 1 1 A 48 48 GLU H H 48 8.081 8.012 0.069 1
1 488 . 4 1 1 A 48 48 GLU CA C 48 60.605 59.456 1.149 1
1 489 . 4 1 1 A 48 48 GLU HA H 48 3.851 3.951 -0.100 1
1 490 . 4 1 1 A 48 48 GLU CB C 48 30.467 29.231 1.236 1
1 496 . 4 1 1 A 48 48 GLU C C 48 180.175 179.330 0.845 1
1 497 . 4 1 1 A 49 49 VAL N N 49 122.024 120.079 1.945 1
1 498 . 4 1 1 A 49 49 VAL H H 49 8.325 7.657 0.668 1
1 499 . 4 1 1 A 49 49 VAL CA C 49 67.146 66.686 0.460 1
1 500 . 4 1 1 A 49 49 VAL HA H 49 3.530 3.515 0.015 1
1 501 . 4 1 1 A 49 49 VAL CB C 49 31.543 31.485 0.058 1
1 511 . 4 1 1 A 49 49 VAL C C 49 177.168 178.167 -0.999 1
1 512 . 4 1 1 A 50 50 ILE N N 50 117.821 119.701 -1.880 1
1 513 . 4 1 1 A 50 50 ILE H H 50 7.947 7.799 0.148 1
1 514 . 4 1 1 A 50 50 ILE CA C 50 66.217 65.867 0.350 1
1 515 . 4 1 1 A 50 50 ILE HA H 50 3.757 3.743 0.014 1
1 516 . 4 1 1 A 50 50 ILE CB C 50 37.952 38.015 -0.063 1
1 529 . 4 1 1 A 50 50 ILE C C 50 177.890 177.816 0.074 1
1 530 . 4 1 1 A 51 51 LYS N N 51 121.589 120.751 0.838 1
1 531 . 4 1 1 A 51 51 LYS H H 51 8.790 8.009 0.781 1
1 532 . 4 1 1 A 51 51 LYS CA C 51 58.277 59.747 -1.470 1
1 533 . 4 1 1 A 51 51 LYS HA H 51 3.816 4.197 -0.381 1
1 534 . 4 1 1 A 51 51 LYS CB C 51 32.898 32.585 0.313 1
1 546 . 4 1 1 A 51 51 LYS C C 51 176.668 178.530 -1.862 1
1 547 . 4 1 1 A 52 52 PHE N N 52 117.622 120.051 -2.429 1
1 548 . 4 1 1 A 52 52 PHE H H 52 7.768 8.276 -0.508 1
1 549 . 4 1 1 A 52 52 PHE CA C 52 60.585 61.475 -0.890 1
1 550 . 4 1 1 A 52 52 PHE HA H 52 4.090 4.011 0.079 1
1 551 . 4 1 1 A 52 52 PHE CB C 52 38.775 38.809 -0.034 1
1 564 . 4 1 1 A 52 52 PHE C C 52 176.831 176.950 -0.119 1
1 565 . 4 1 1 A 53 53 TYR N N 53 115.876 116.494 -0.618 1
1 566 . 4 1 1 A 53 53 TYR H H 53 7.346 8.156 -0.810 1
1 567 . 4 1 1 A 53 53 TYR CA C 53 61.264 60.372 0.892 1
1 568 . 4 1 1 A 53 53 TYR HA H 53 3.697 4.246 -0.549 1
1 569 . 4 1 1 A 53 53 TYR CB C 53 41.522 38.368 3.154 1
1 580 . 4 1 1 A 53 53 TYR C C 53 175.972 175.478 0.494 1
1 581 . 4 1 1 A 54 54 PHE N N 54 116.478 116.867 -0.389 1
1 582 . 4 1 1 A 54 54 PHE H H 54 8.877 8.377 0.500 1
1 583 . 4 1 1 A 54 54 PHE CA C 54 55.553 55.042 0.511 1
1 584 . 4 1 1 A 54 54 PHE HA H 54 5.173 5.026 0.147 1
1 585 . 4 1 1 A 54 54 PHE CB C 54 40.841 40.862 -0.021 1
1 598 . 4 1 1 A 54 54 PHE C C 54 173.424 174.524 -1.100 1
1 599 . 4 1 1 A 55 55 PRO CA C 55 65.147 65.373 -0.226 1
1 600 . 4 1 1 A 55 55 PRO HA H 55 4.591 4.340 0.251 1
1 601 . 4 1 1 A 55 55 PRO CB C 55 32.014 31.939 0.075 1
1 610 . 4 1 1 A 55 55 PRO C C 55 179.255 178.720 0.535 1
1 611 . 4 1 1 A 56 56 LYS N N 56 113.672 116.840 -3.168 1
1 612 . 4 1 1 A 56 56 LYS H H 56 8.639 8.886 -0.247 1
1 613 . 4 1 1 A 56 56 LYS CA C 56 56.918 58.968 -2.050 1
1 614 . 4 1 1 A 56 56 LYS HA H 56 4.384 4.056 0.328 1
1 615 . 4 1 1 A 56 56 LYS CB C 56 31.868 32.011 -0.143 1
1 627 . 4 1 1 A 56 56 LYS C C 56 178.220 179.060 -0.840 1
1 628 . 4 1 1 A 57 57 MET N N 57 116.692 118.634 -1.942 1
1 629 . 4 1 1 A 57 57 MET H H 57 8.099 8.143 -0.044 1
1 630 . 4 1 1 A 57 57 MET CA C 57 57.537 58.703 -1.166 1
1 631 . 4 1 1 A 57 57 MET HA H 57 4.260 4.163 0.097 1
1 632 . 4 1 1 A 57 57 MET CB C 57 35.400 32.618 2.782 1
1 642 . 4 1 1 A 57 57 MET C C 57 174.856 177.335 -2.479 1
1 643 . 4 1 1 A 58 58 VAL N N 58 114.727 118.294 -3.567 1
1 644 . 4 1 1 A 58 58 VAL H H 58 6.872 7.205 -0.333 1
1 645 . 4 1 1 A 58 58 VAL CA C 58 60.834 63.582 -2.748 1
1 646 . 4 1 1 A 58 58 VAL HA H 58 4.421 4.024 0.397 1
1 647 . 4 1 1 A 58 58 VAL CB C 58 36.223 31.896 4.327 1
1 657 . 4 1 1 A 58 58 VAL C C 58 173.747 175.634 -1.887 1
1 658 . 4 1 1 A 59 59 GLU N N 59 127.314 126.476 0.838 1
1 659 . 4 1 1 A 59 59 GLU H H 59 8.783 8.920 -0.137 1
1 660 . 4 1 1 A 59 59 GLU CA C 59 54.465 58.399 -3.934 1
1 661 . 4 1 1 A 59 59 GLU HA H 59 4.671 4.318 0.353 1
1 662 . 4 1 1 A 59 59 GLU CB C 59 30.020 30.612 -0.592 1
1 668 . 4 1 1 A 59 59 GLU C C 59 176.450 176.614 -0.164 1
1 669 . 4 1 1 A 60 60 MET N N 60 122.273 116.032 6.241 1
1 670 . 4 1 1 A 60 60 MET H H 60 9.004 8.193 0.811 1
1 671 . 4 1 1 A 60 60 MET CA C 60 55.751 56.908 -1.157 1
1 672 . 4 1 1 A 60 60 MET HA H 60 4.613 4.258 0.355 1
1 673 . 4 1 1 A 60 60 MET CB C 60 29.356 30.876 -1.520 1
1 683 . 4 1 1 A 60 60 MET C C 60 178.387 175.963 2.424 1
1 684 . 4 1 1 A 61 61 HIS N N 61 115.823 114.832 0.991 1
1 685 . 4 1 1 A 61 61 HIS H H 61 8.198 8.169 0.029 1
1 686 . 4 1 1 A 61 61 HIS CA C 61 57.963 56.889 1.074 1
1 687 . 4 1 1 A 61 61 HIS HA H 61 4.341 4.699 -0.358 1
1 688 . 4 1 1 A 61 61 HIS CB C 61 29.235 31.649 -2.414 1
1 695 . 4 1 1 A 61 61 HIS C C 61 175.800 176.646 -0.846 1
1 696 . 4 1 1 A 62 62 ASN N N 62 115.093 114.332 0.761 1
1 697 . 4 1 1 A 62 62 ASN H H 62 6.895 7.829 -0.934 1
1 698 . 4 1 1 A 62 62 ASN CA C 62 54.503 54.949 -0.446 1
1 699 . 4 1 1 A 62 62 ASN HA H 62 3.872 4.629 -0.757 1
1 700 . 4 1 1 A 62 62 ASN CB C 62 38.749 39.267 -0.518 1
1 706 . 4 1 1 A 62 62 ASN C C 62 173.014 175.080 -2.066 1
1 707 . 4 1 1 A 63 63 TYR N N 63 118.560 119.474 -0.914 1
1 708 . 4 1 1 A 63 63 TYR H H 63 7.255 7.520 -0.265 1
1 709 . 4 1 1 A 63 63 TYR CA C 63 56.311 59.094 -2.783 1
1 710 . 4 1 1 A 63 63 TYR HA H 63 4.481 4.556 -0.075 1
1 711 . 4 1 1 A 63 63 TYR CB C 63 39.138 39.328 -0.190 1
1 722 . 4 1 1 A 63 63 TYR C C 63 173.223 175.893 -2.670 1
1 723 . 4 1 1 A 64 64 VAL N N 64 122.318 121.895 0.423 1
1 724 . 4 1 1 A 64 64 VAL H H 64 7.750 8.599 -0.849 1
1 725 . 4 1 1 A 64 64 VAL CA C 64 58.601 58.989 -0.388 1
1 726 . 4 1 1 A 64 64 VAL HA H 64 4.469 4.682 -0.213 1
1 727 . 4 1 1 A 64 64 VAL CB C 64 33.747 35.763 -2.016 1
1 737 . 4 1 1 A 64 64 VAL C C 64 173.983 173.412 0.571 1
1 738 . 4 1 1 A 65 65 PRO CA C 65 63.212 62.583 0.629 1
1 739 . 4 1 1 A 65 65 PRO HA H 65 4.348 4.817 -0.469 1
1 740 . 4 1 1 A 65 65 PRO CB C 65 31.279 31.713 -0.434 1
1 749 . 4 1 1 A 65 65 PRO C C 65 176.821 176.348 0.473 1
1 750 . 4 1 1 A 66 66 ALA N N 66 125.896 124.354 1.542 1
1 751 . 4 1 1 A 66 66 ALA H H 66 8.563 8.259 0.304 1
1 752 . 4 1 1 A 66 66 ALA CA C 66 52.003 50.523 1.480 1
1 753 . 4 1 1 A 66 66 ALA HA H 66 4.651 4.824 -0.173 1
1 754 . 4 1 1 A 66 66 ALA CB C 66 24.137 23.304 0.833 1
1 758 . 4 1 1 A 66 66 ALA C C 66 176.244 176.995 -0.751 1
1 759 . 4 1 1 A 67 67 ASN CA C 67 52.862 55.772 -2.910 1
1 760 . 4 1 1 A 67 67 ASN HA H 67 4.988 4.726 0.262 1
1 761 . 4 1 1 A 67 67 ASN CB C 67 40.168 39.607 0.561 1
1 767 . 4 1 1 A 67 67 ASN C C 67 174.896 176.060 -1.164 1
1 768 . 4 1 1 A 68 68 SER N N 68 114.553 113.487 1.066 1
1 769 . 4 1 1 A 68 68 SER H H 68 7.777 7.783 -0.006 1
1 770 . 4 1 1 A 68 68 SER CA C 68 56.741 58.663 -1.922 1
1 771 . 4 1 1 A 68 68 SER HA H 68 4.737 4.380 0.357 1
1 772 . 4 1 1 A 68 68 SER CB C 68 65.267 64.071 1.196 1
1 775 . 4 1 1 A 68 68 SER C C 68 174.542 175.085 -0.543 1
1 776 . 4 1 1 A 69 69 LEU CA C 69 59.000 57.627 1.373 1
1 777 . 4 1 1 A 69 69 LEU HA H 69 3.961 3.993 -0.032 1
1 778 . 4 1 1 A 69 69 LEU CB C 69 41.679 41.528 0.151 1
1 791 . 4 1 1 A 69 69 LEU C C 69 178.629 179.121 -0.492 1
1 792 . 4 1 1 A 70 70 GLN N N 70 115.924 118.309 -2.385 1
1 793 . 4 1 1 A 70 70 GLN H H 70 8.785 8.084 0.701 1
1 794 . 4 1 1 A 70 70 GLN CA C 70 59.728 59.352 0.376 1
1 795 . 4 1 1 A 70 70 GLN HA H 70 3.977 3.994 -0.017 1
1 796 . 4 1 1 A 70 70 GLN CB C 70 27.912 28.450 -0.538 1
1 805 . 4 1 1 A 70 70 GLN C C 70 178.954 178.553 0.401 1
1 806 . 4 1 1 A 71 71 GLN N N 71 118.694 118.819 -0.125 1
1 807 . 4 1 1 A 71 71 GLN H H 71 7.780 7.838 -0.058 1
1 808 . 4 1 1 A 71 71 GLN CA C 71 58.233 58.886 -0.653 1
1 809 . 4 1 1 A 71 71 GLN HA H 71 4.219 4.053 0.166 1
1 810 . 4 1 1 A 71 71 GLN CB C 71 29.089 28.361 0.728 1
1 819 . 4 1 1 A 71 71 GLN C C 71 178.724 178.026 0.698 1
1 820 . 4 1 1 A 72 72 LYS N N 72 119.661 118.020 1.641 1
1 821 . 4 1 1 A 72 72 LYS H H 72 8.094 8.079 0.015 1
1 822 . 4 1 1 A 72 72 LYS CA C 72 61.528 59.558 1.970 1
1 823 . 4 1 1 A 72 72 LYS HA H 72 4.206 4.048 0.158 1
1 824 . 4 1 1 A 72 72 LYS CB C 72 33.806 32.511 1.295 1
1 836 . 4 1 1 A 72 72 LYS C C 72 179.041 179.589 -0.548 1
1 837 . 4 1 1 A 73 73 LEU N N 73 117.098 120.380 -3.282 1
1 838 . 4 1 1 A 73 73 LEU H H 73 8.602 7.810 0.792 1
1 839 . 4 1 1 A 73 73 LEU CA C 73 58.118 57.887 0.231 1
1 840 . 4 1 1 A 73 73 LEU HA H 73 4.287 4.294 -0.007 1
1 841 . 4 1 1 A 73 73 LEU CB C 73 40.831 41.196 -0.365 1
1 854 . 4 1 1 A 73 73 LEU C C 73 180.838 179.208 1.630 1
1 855 . 4 1 1 A 74 74 SER N N 74 118.060 114.142 3.918 1
1 856 . 4 1 1 A 74 74 SER H H 74 8.334 7.973 0.361 1
1 857 . 4 1 1 A 74 74 SER CA C 74 61.971 61.757 0.214 1
1 858 . 4 1 1 A 74 74 SER HA H 74 4.431 4.134 0.297 1
1 859 . 4 1 1 A 74 74 SER CB C 74 62.560 63.090 -0.530 1
1 862 . 4 1 1 A 74 74 SER C C 74 177.493 177.442 0.051 1
1 863 . 4 1 1 A 75 75 ASN N N 75 121.688 119.230 2.458 1
1 864 . 4 1 1 A 75 75 ASN H H 75 8.266 8.293 -0.027 1
1 865 . 4 1 1 A 75 75 ASN CA C 75 56.090 56.495 -0.405 1
1 866 . 4 1 1 A 75 75 ASN HA H 75 4.739 4.543 0.196 1
1 867 . 4 1 1 A 75 75 ASN CB C 75 38.184 38.191 -0.007 1
1 873 . 4 1 1 A 75 75 ASN C C 75 177.792 178.040 -0.248 1
1 874 . 4 1 1 A 76 76 TRP N N 76 118.943 119.889 -0.946 1
1 875 . 4 1 1 A 76 76 TRP H H 76 8.510 8.079 0.431 1
1 876 . 4 1 1 A 76 76 TRP CA C 76 62.294 59.265 3.029 1
1 877 . 4 1 1 A 76 76 TRP HA H 76 4.173 4.265 -0.092 1
1 878 . 4 1 1 A 76 76 TRP CB C 76 29.223 29.304 -0.081 1
1 893 . 4 1 1 A 76 76 TRP C C 76 178.579 179.199 -0.620 1
1 894 . 4 1 1 A 77 77 GLY N N 77 107.789 107.838 -0.049 1
1 895 . 4 1 1 A 77 77 GLY H H 77 8.954 9.133 -0.179 1
1 896 . 4 1 1 A 77 77 GLY CA C 77 47.600 47.525 0.075 1
1 897 . 4 1 1 A 77 77 GLY HA2 H 77 4.122 3.827 0.295 1
1 898 . 4 1 1 A 77 77 GLY HA3 H 77 3.977 3.844 0.133 1
1 899 . 4 1 1 A 77 77 GLY C C 77 176.076 176.852 -0.776 1
1 900 . 4 1 1 A 78 78 HIS N N 78 122.925 120.203 2.722 1
1 901 . 4 1 1 A 78 78 HIS H H 78 8.127 8.147 -0.020 1
1 902 . 4 1 1 A 78 78 HIS CA C 78 61.550 58.625 2.925 1
1 903 . 4 1 1 A 78 78 HIS HA H 78 4.206 4.770 -0.564 1
1 904 . 4 1 1 A 78 78 HIS CB C 78 30.794 30.309 0.485 1
1 911 . 4 1 1 A 78 78 HIS C C 78 177.572 177.977 -0.405 1
1 912 . 4 1 1 A 79 79 LEU N N 79 120.009 121.469 -1.460 1
1 913 . 4 1 1 A 79 79 LEU H H 79 8.726 8.274 0.452 1
1 914 . 4 1 1 A 79 79 LEU CA C 79 58.252 57.481 0.771 1
1 915 . 4 1 1 A 79 79 LEU HA H 79 4.227 4.403 -0.176 1
1 916 . 4 1 1 A 79 79 LEU CB C 79 43.075 41.672 1.403 1
1 929 . 4 1 1 A 79 79 LEU C C 79 181.067 178.703 2.364 1
1 930 . 4 1 1 A 80 80 ASN N N 80 119.257 117.602 1.655 1
1 931 . 4 1 1 A 80 80 ASN H H 80 9.270 8.073 1.197 1
1 932 . 4 1 1 A 80 80 ASN CA C 80 57.279 56.117 1.162 1
1 933 . 4 1 1 A 80 80 ASN HA H 80 4.595 4.608 -0.013 1
1 934 . 4 1 1 A 80 80 ASN CB C 80 40.403 39.036 1.367 1
1 940 . 4 1 1 A 80 80 ASN C C 80 177.177 176.609 0.568 1
1 941 . 4 1 1 A 81 81 ARG N N 81 115.731 117.198 -1.467 1
1 942 . 4 1 1 A 81 81 ARG H H 81 8.085 8.076 0.009 1
1 943 . 4 1 1 A 81 81 ARG CA C 81 59.249 55.758 3.491 1
1 944 . 4 1 1 A 81 81 ARG HA H 81 4.167 4.615 -0.448 1
1 945 . 4 1 1 A 81 81 ARG CB C 81 31.579 30.992 0.587 1
1 954 . 4 1 1 A 81 81 ARG C C 81 177.890 176.745 1.145 1
1 955 . 4 1 1 A 82 82 LYS N N 82 113.840 117.718 -3.878 1
1 956 . 4 1 1 A 82 82 LYS H H 82 8.691 7.586 1.105 1
1 957 . 4 1 1 A 82 82 LYS CA C 82 56.216 56.770 -0.554 1
1 958 . 4 1 1 A 82 82 LYS HA H 82 4.441 4.479 -0.038 1
1 959 . 4 1 1 A 82 82 LYS CB C 82 32.964 34.186 -1.222 1
1 971 . 4 1 1 A 82 82 LYS C C 82 177.543 177.100 0.443 1
1 972 . 4 1 1 A 83 83 VAL N N 83 117.873 117.178 0.695 1
1 973 . 4 1 1 A 83 83 VAL H H 83 7.786 7.897 -0.111 1
1 974 . 4 1 1 A 83 83 VAL CA C 83 64.939 63.828 1.111 1
1 975 . 4 1 1 A 83 83 VAL HA H 83 4.235 4.235 0.000 1
1 976 . 4 1 1 A 83 83 VAL CB C 83 34.046 32.622 1.424 1
1 986 . 4 1 1 A 83 83 VAL C C 83 176.945 177.725 -0.780 1
1 987 . 4 1 1 A 84 84 LEU N N 84 118.163 119.926 -1.763 1
1 988 . 4 1 1 A 84 84 LEU H H 84 9.200 8.479 0.721 1
1 989 . 4 1 1 A 84 84 LEU CA C 84 58.824 58.135 0.689 1
1 990 . 4 1 1 A 84 84 LEU HA H 84 3.898 4.056 -0.158 1
1 991 . 4 1 1 A 84 84 LEU CB C 84 38.418 41.897 -3.479 1
1 1004 . 4 1 1 A 84 84 LEU C C 84 179.874 179.148 0.726 1
1 1005 . 4 1 1 A 85 85 LYS N N 85 117.114 119.189 -2.075 1
1 1006 . 4 1 1 A 85 85 LYS H H 85 7.303 7.967 -0.664 1
1 1007 . 4 1 1 A 85 85 LYS CA C 85 59.436 59.633 -0.197 1
1 1008 . 4 1 1 A 85 85 LYS HA H 85 4.191 3.940 0.251 1
1 1009 . 4 1 1 A 85 85 LYS CB C 85 33.096 32.356 0.740 1
1 1021 . 4 1 1 A 85 85 LYS C C 85 180.286 178.810 1.476 1
1 1022 . 4 1 1 A 86 86 ARG N N 86 117.181 119.753 -2.572 1
1 1023 . 4 1 1 A 86 86 ARG H H 86 7.216 8.052 -0.836 1
1 1024 . 4 1 1 A 86 86 ARG CA C 86 57.924 59.032 -1.108 1
1 1025 . 4 1 1 A 86 86 ARG HA H 86 4.191 4.158 0.033 1
1 1026 . 4 1 1 A 86 86 ARG CB C 86 29.848 30.090 -0.242 1
1 1035 . 4 1 1 A 86 86 ARG C C 86 177.047 178.021 -0.974 1
1 1036 . 4 1 1 A 87 87 LEU N N 87 118.282 117.832 0.450 1
1 1037 . 4 1 1 A 87 87 LEU H H 87 7.584 7.915 -0.331 1
1 1038 . 4 1 1 A 87 87 LEU CA C 87 53.603 54.639 -1.036 1
1 1039 . 4 1 1 A 87 87 LEU HA H 87 4.339 4.426 -0.087 1
1 1040 . 4 1 1 A 87 87 LEU CB C 87 42.059 41.981 0.078 1
1 1053 . 4 1 1 A 87 87 LEU C C 87 175.182 176.256 -1.074 1
1 1054 . 4 1 1 A 88 88 ASN N N 88 115.016 116.846 -1.830 1
1 1055 . 4 1 1 A 88 88 ASN H H 88 7.932 7.901 0.031 1
1 1056 . 4 1 1 A 88 88 ASN CA C 88 54.081 54.316 -0.235 1
1 1057 . 4 1 1 A 88 88 ASN HA H 88 4.384 4.400 -0.016 1
1 1058 . 4 1 1 A 88 88 ASN CB C 88 36.809 37.564 -0.755 1
1 1064 . 4 1 1 A 88 88 ASN C C 88 173.426 174.640 -1.214 1
1 1065 . 4 1 1 A 89 89 PHE N N 89 119.795 119.167 0.628 1
1 1066 . 4 1 1 A 89 89 PHE H H 89 7.739 8.305 -0.566 1
1 1067 . 4 1 1 A 89 89 PHE CA C 89 56.231 57.178 -0.947 1
1 1068 . 4 1 1 A 89 89 PHE HA H 89 4.887 4.876 0.011 1
1 1069 . 4 1 1 A 89 89 PHE CB C 89 43.188 42.297 0.891 1
1 1082 . 4 1 1 A 89 89 PHE C C 89 172.386 174.055 -1.669 1
1 1083 . 4 1 1 A 90 90 SER N N 90 117.020 119.491 -2.471 1
1 1084 . 4 1 1 A 90 90 SER H H 90 7.301 8.232 -0.931 1
1 1085 . 4 1 1 A 90 90 SER CA C 90 56.762 57.192 -0.430 1
1 1086 . 4 1 1 A 90 90 SER HA H 90 4.667 5.252 -0.585 1
1 1087 . 4 1 1 A 90 90 SER CB C 90 64.885 66.177 -1.292 1
1 1090 . 4 1 1 A 90 90 SER C C 90 172.726 172.558 0.168 1
1 1091 . 4 1 1 A 91 91 VAL N N 91 126.604 122.375 4.229 1
1 1092 . 4 1 1 A 91 91 VAL H H 91 8.959 8.760 0.199 1
1 1093 . 4 1 1 A 91 91 VAL CA C 91 59.173 58.948 0.225 1
1 1094 . 4 1 1 A 91 91 VAL HA H 91 4.336 4.631 -0.295 1
1 1095 . 4 1 1 A 91 91 VAL CB C 91 33.703 35.797 -2.094 1
1 1105 . 4 1 1 A 91 91 VAL C C 91 173.886 173.592 0.294 1
1 1106 . 4 1 1 A 92 92 PRO CA C 92 62.618 62.564 0.054 1
1 1107 . 4 1 1 A 92 92 PRO HA H 92 4.481 4.617 -0.136 1
1 1108 . 4 1 1 A 92 92 PRO CB C 92 33.302 33.195 0.107 1
1 1117 . 4 1 1 A 92 92 PRO C C 92 177.410 177.185 0.225 1
1 1118 . 4 1 1 A 93 93 ASP N N 93 123.319 122.404 0.915 1
1 1119 . 4 1 1 A 93 93 ASP H H 93 8.854 8.781 0.073 1
1 1120 . 4 1 1 A 93 93 ASP CA C 93 58.347 56.897 1.450 1
1 1121 . 4 1 1 A 93 93 ASP HA H 93 4.298 4.312 -0.014 1
1 1122 . 4 1 1 A 93 93 ASP CB C 93 40.916 39.870 1.046 1
1 1125 . 4 1 1 A 93 93 ASP C C 93 178.221 178.142 0.079 1
1 1126 . 4 1 1 A 94 94 ASP N N 94 116.740 121.134 -4.394 1
1 1127 . 4 1 1 A 94 94 ASP H H 94 8.955 8.140 0.815 1
1 1128 . 4 1 1 A 94 94 ASP CA C 94 56.851 57.408 -0.557 1
1 1129 . 4 1 1 A 94 94 ASP HA H 94 4.222 4.279 -0.057 1
1 1130 . 4 1 1 A 94 94 ASP CB C 94 39.733 40.632 -0.899 1
1 1133 . 4 1 1 A 94 94 ASP C C 94 178.344 178.774 -0.430 1
1 1134 . 4 1 1 A 95 95 VAL N N 95 121.559 119.944 1.615 1
1 1135 . 4 1 1 A 95 95 VAL H H 95 6.935 8.177 -1.242 1
1 1136 . 4 1 1 A 95 95 VAL CA C 95 66.007 66.504 -0.497 1
1 1137 . 4 1 1 A 95 95 VAL HA H 95 3.378 3.529 -0.151 1
1 1138 . 4 1 1 A 95 95 VAL CB C 95 31.712 31.666 0.046 1
1 1148 . 4 1 1 A 95 95 VAL C C 95 177.153 177.816 -0.663 1
1 1149 . 4 1 1 A 96 96 MET N N 96 118.492 117.456 1.036 1
1 1150 . 4 1 1 A 96 96 MET H H 96 7.993 7.792 0.201 1
1 1151 . 4 1 1 A 96 96 MET CA C 96 60.318 58.578 1.740 1
1 1152 . 4 1 1 A 96 96 MET HA H 96 3.037 3.738 -0.701 1
1 1153 . 4 1 1 A 96 96 MET CB C 96 33.348 32.346 1.002 1
1 1163 . 4 1 1 A 96 96 MET C C 96 176.993 178.695 -1.702 1
1 1164 . 4 1 1 A 97 97 ARG N N 97 116.593 119.100 -2.507 1
1 1165 . 4 1 1 A 97 97 ARG H H 97 7.668 8.125 -0.457 1
1 1166 . 4 1 1 A 97 97 ARG CA C 97 60.372 59.651 0.721 1
1 1167 . 4 1 1 A 97 97 ARG HA H 97 3.772 3.954 -0.182 1
1 1168 . 4 1 1 A 97 97 ARG CB C 97 29.627 30.158 -0.531 1
1 1177 . 4 1 1 A 97 97 ARG C C 97 177.718 178.921 -1.203 1
1 1178 . 4 1 1 A 98 98 LYS N N 98 118.000 119.024 -1.024 1
1 1179 . 4 1 1 A 98 98 LYS H H 98 7.279 7.342 -0.063 1
1 1180 . 4 1 1 A 98 98 LYS CA C 98 59.942 59.217 0.725 1
1 1181 . 4 1 1 A 98 98 LYS HA H 98 4.035 4.014 0.021 1
1 1182 . 4 1 1 A 98 98 LYS CB C 98 33.307 32.335 0.972 1
1 1194 . 4 1 1 A 98 98 LYS C C 98 178.861 179.116 -0.255 1
1 1195 . 4 1 1 A 99 99 ILE N N 99 119.736 120.996 -1.260 1
1 1196 . 4 1 1 A 99 99 ILE H H 99 8.298 7.720 0.578 1
1 1197 . 4 1 1 A 99 99 ILE CA C 99 65.451 65.219 0.232 1
1 1198 . 4 1 1 A 99 99 ILE HA H 99 3.473 3.557 -0.084 1
1 1199 . 4 1 1 A 99 99 ILE CB C 99 38.088 37.436 0.652 1
1 1212 . 4 1 1 A 99 99 ILE C C 99 181.472 177.813 3.659 1
1 1213 . 4 1 1 A 100 100 ALA N N 100 124.832 121.711 3.121 1
1 1214 . 4 1 1 A 100 100 ALA H H 100 8.473 8.030 0.443 1
1 1215 . 4 1 1 A 100 100 ALA CA C 100 54.623 54.527 0.096 1
1 1216 . 4 1 1 A 100 100 ALA HA H 100 4.481 4.179 0.302 1
1 1217 . 4 1 1 A 100 100 ALA CB C 100 19.106 18.526 0.580 1
1 1221 . 4 1 1 A 100 100 ALA C C 100 177.755 179.016 -1.261 1
1 1222 . 4 1 1 A 101 101 GLN N N 101 113.891 114.679 -0.788 1
1 1223 . 4 1 1 A 101 101 GLN H H 101 7.665 7.460 0.205 1
1 1224 . 4 1 1 A 101 101 GLN CA C 101 55.681 55.290 0.391 1
1 1225 . 4 1 1 A 101 101 GLN HA H 101 4.378 4.496 -0.118 1
1 1226 . 4 1 1 A 101 101 GLN CB C 101 28.879 28.677 0.202 1
1 1235 . 4 1 1 A 101 101 GLN C C 101 175.604 175.077 0.527 1
1 1236 . 4 1 1 A 102 102 CYS N N 102 114.274 117.787 -3.513 1
1 1237 . 4 1 1 A 102 102 CYS H H 102 8.300 7.902 0.398 1
1 1238 . 4 1 1 A 102 102 CYS CA C 102 58.700 59.928 -1.228 1
1 1239 . 4 1 1 A 102 102 CYS HA H 102 4.030 4.138 -0.108 1
1 1240 . 4 1 1 A 102 102 CYS CB C 102 24.987 26.127 -1.140 1
1 1243 . 4 1 1 A 102 102 CYS C C 102 174.186 173.862 0.324 1
1 1244 . 4 1 1 A 103 103 ALA N N 103 123.512 122.229 1.283 1
1 1245 . 4 1 1 A 103 103 ALA H H 103 8.175 7.579 0.596 1
1 1246 . 4 1 1 A 103 103 ALA CA C 103 50.841 50.679 0.162 1
1 1247 . 4 1 1 A 103 103 ALA HA H 103 4.458 4.473 -0.015 1
1 1248 . 4 1 1 A 103 103 ALA CB C 103 18.353 18.882 -0.529 1
1 1252 . 4 1 1 A 103 103 ALA C C 103 175.904 176.003 -0.099 1
1 1253 . 4 1 1 A 104 104 PRO CA C 104 64.290 63.617 0.673 1
1 1254 . 4 1 1 A 104 104 PRO HA H 104 4.315 4.324 -0.009 1
1 1255 . 4 1 1 A 104 104 PRO CB C 104 32.028 32.052 -0.024 1
1 1264 . 4 1 1 A 104 104 PRO C C 104 178.173 177.453 0.720 1
1 1265 . 4 1 1 A 105 105 GLY N N 105 113.466 111.969 1.497 1
1 1266 . 4 1 1 A 105 105 GLY H H 105 9.036 8.990 0.046 1
1 1267 . 4 1 1 A 105 105 GLY CA C 105 45.935 47.080 -1.145 1
1 1268 . 4 1 1 A 105 105 GLY HA2 H 105 4.044 3.879 0.165 1
1 1269 . 4 1 1 A 105 105 GLY HA3 H 105 3.832 3.885 -0.053 1
1 1270 . 4 1 1 A 105 105 GLY C C 105 174.928 174.365 0.563 1
1 1271 . 4 1 1 A 106 106 VAL N N 106 117.991 116.719 1.272 1
1 1272 . 4 1 1 A 106 106 VAL H H 106 6.964 7.646 -0.682 1
1 1273 . 4 1 1 A 106 106 VAL CA C 106 66.071 63.866 2.205 1
1 1274 . 4 1 1 A 106 106 VAL HA H 106 3.842 4.288 -0.446 1
1 1275 . 4 1 1 A 106 106 VAL CB C 106 31.337 33.501 -2.164 1
1 1285 . 4 1 1 A 106 106 VAL C C 106 178.061 176.661 1.400 1
1 1286 . 4 1 1 A 107 107 VAL N N 107 121.474 120.350 1.124 1
1 1287 . 4 1 1 A 107 107 VAL H H 107 9.039 8.203 0.836 1
1 1288 . 4 1 1 A 107 107 VAL CA C 107 65.971 65.054 0.917 1
1 1289 . 4 1 1 A 107 107 VAL HA H 107 3.743 3.654 0.089 1
1 1290 . 4 1 1 A 107 107 VAL CB C 107 30.959 31.195 -0.236 1
1 1300 . 4 1 1 A 107 107 VAL C C 107 177.629 177.656 -0.027 1
1 1301 . 4 1 1 A 108 108 GLU N N 108 126.242 122.483 3.759 1
1 1302 . 4 1 1 A 108 108 GLU H H 108 11.107 8.245 2.862 1
1 1303 . 4 1 1 A 108 108 GLU CA C 108 62.429 59.511 2.918 1
1 1304 . 4 1 1 A 108 108 GLU HA H 108 3.584 4.034 -0.450 1
1 1305 . 4 1 1 A 108 108 GLU CB C 108 28.863 29.079 -0.216 1
1 1311 . 4 1 1 A 108 108 GLU C C 108 176.878 179.426 -2.548 1
1 1312 . 4 1 1 A 109 109 LEU N N 109 114.111 119.669 -5.558 1
1 1313 . 4 1 1 A 109 109 LEU H H 109 7.474 8.159 -0.685 1
1 1314 . 4 1 1 A 109 109 LEU CA C 109 56.293 57.625 -1.332 1
1 1315 . 4 1 1 A 109 109 LEU HA H 109 4.024 4.072 -0.048 1
1 1316 . 4 1 1 A 109 109 LEU CB C 109 40.846 41.682 -0.836 1
1 1329 . 4 1 1 A 109 109 LEU C C 109 178.647 178.360 0.287 1
1 1330 . 4 1 1 A 110 110 VAL N N 110 116.984 117.877 -0.893 1
1 1331 . 4 1 1 A 110 110 VAL H H 110 7.557 7.641 -0.084 1
1 1332 . 4 1 1 A 110 110 VAL CA C 110 64.274 64.428 -0.154 1
1 1333 . 4 1 1 A 110 110 VAL HA H 110 4.206 4.092 0.114 1
1 1334 . 4 1 1 A 110 110 VAL CB C 110 33.070 32.477 0.593 1
1 1344 . 4 1 1 A 110 110 VAL C C 110 176.435 177.544 -1.109 1
1 1345 . 4 1 1 A 111 111 LEU N N 111 118.461 119.912 -1.451 1
1 1346 . 4 1 1 A 111 111 LEU H H 111 8.453 7.818 0.635 1
1 1347 . 4 1 1 A 111 111 LEU CA C 111 58.047 57.915 0.132 1
1 1348 . 4 1 1 A 111 111 LEU HA H 111 4.003 4.119 -0.116 1
1 1349 . 4 1 1 A 111 111 LEU CB C 111 43.552 41.933 1.619 1
1 1362 . 4 1 1 A 111 111 LEU C C 111 177.274 179.184 -1.910 1
1 1363 . 4 1 1 A 112 112 ILE N N 112 115.835 119.193 -3.358 1
1 1364 . 4 1 1 A 112 112 ILE H H 112 7.850 8.038 -0.188 1
1 1365 . 4 1 1 A 112 112 ILE CA C 112 67.843 66.578 1.265 1
1 1366 . 4 1 1 A 112 112 ILE HA H 112 3.636 3.626 0.010 1
1 1367 . 4 1 1 A 112 112 ILE CB C 112 36.504 36.216 0.288 1
1 1380 . 4 1 1 A 112 112 ILE C C 112 176.487 175.039 1.448 1
1 1381 . 4 1 1 A 113 113 PRO CA C 113 64.872 65.427 -0.555 1
1 1382 . 4 1 1 A 113 113 PRO HA H 113 4.420 4.334 0.086 1
1 1383 . 4 1 1 A 113 113 PRO CB C 113 30.348 30.748 -0.400 1
1 1392 . 4 1 1 A 113 113 PRO C C 113 179.001 178.683 0.318 1
1 1393 . 4 1 1 A 114 114 LEU N N 114 120.690 117.960 2.730 1
1 1394 . 4 1 1 A 114 114 LEU H H 114 7.672 7.723 -0.051 1
1 1395 . 4 1 1 A 114 114 LEU CA C 114 58.337 57.734 0.603 1
1 1396 . 4 1 1 A 114 114 LEU HA H 114 3.490 3.858 -0.368 1
1 1397 . 4 1 1 A 114 114 LEU CB C 114 41.840 41.794 0.046 1
1 1410 . 4 1 1 A 114 114 LEU C C 114 177.486 178.422 -0.936 1
1 1411 . 4 1 1 A 115 115 ARG N N 115 119.039 118.668 0.371 1
1 1412 . 4 1 1 A 115 115 ARG H H 115 8.159 7.590 0.569 1
1 1413 . 4 1 1 A 115 115 ARG CA C 115 60.199 59.444 0.755 1
1 1414 . 4 1 1 A 115 115 ARG HA H 115 3.215 3.791 -0.576 1
1 1415 . 4 1 1 A 115 115 ARG CB C 115 28.049 29.570 -1.521 1
1 1426 . 4 1 1 A 115 115 ARG C C 115 177.460 179.077 -1.617 1
1 1427 . 4 1 1 A 116 116 GLN N N 116 115.221 118.959 -3.738 1
1 1428 . 4 1 1 A 116 116 GLN H H 116 6.825 8.019 -1.194 1
1 1429 . 4 1 1 A 116 116 GLN CA C 116 58.838 59.153 -0.315 1
1 1430 . 4 1 1 A 116 116 GLN HA H 116 3.830 3.898 -0.068 1
1 1431 . 4 1 1 A 116 116 GLN CB C 116 27.871 28.238 -0.367 1
1 1440 . 4 1 1 A 116 116 GLN C C 116 178.648 178.513 0.135 1
1 1441 . 4 1 1 A 117 117 ARG N N 117 118.476 119.089 -0.613 1
1 1442 . 4 1 1 A 117 117 ARG H H 117 8.028 7.594 0.434 1
1 1443 . 4 1 1 A 117 117 ARG CA C 117 57.607 59.157 -1.550 1
1 1444 . 4 1 1 A 117 117 ARG HA H 117 4.117 4.096 0.021 1
1 1445 . 4 1 1 A 117 117 ARG CB C 117 30.040 30.582 -0.542 1
1 1454 . 4 1 1 A 117 117 ARG C C 117 179.370 178.563 0.807 1
1 1455 . 4 1 1 A 118 118 LEU N N 118 120.407 119.964 0.443 1
1 1456 . 4 1 1 A 118 118 LEU H H 118 8.533 8.004 0.529 1
1 1457 . 4 1 1 A 118 118 LEU CA C 118 58.295 57.645 0.650 1
1 1458 . 4 1 1 A 118 118 LEU HA H 118 3.950 3.878 0.072 1
1 1459 . 4 1 1 A 118 118 LEU CB C 118 40.472 40.846 -0.374 1
1 1472 . 4 1 1 A 118 118 LEU C C 118 178.577 179.186 -0.609 1
1 1473 . 4 1 1 A 119 119 GLU N N 119 116.858 117.446 -0.588 1
1 1474 . 4 1 1 A 119 119 GLU H H 119 8.220 8.315 -0.095 1
1 1475 . 4 1 1 A 119 119 GLU CA C 119 59.441 59.971 -0.530 1
1 1476 . 4 1 1 A 119 119 GLU HA H 119 4.047 3.904 0.143 1
1 1477 . 4 1 1 A 119 119 GLU CB C 119 29.271 29.459 -0.188 1
1 1483 . 4 1 1 A 119 119 GLU C C 119 179.631 179.128 0.503 1
1 1484 . 4 1 1 A 120 120 GLU N N 120 119.797 119.913 -0.116 1
1 1485 . 4 1 1 A 120 120 GLU H H 120 8.199 7.894 0.305 1
1 1486 . 4 1 1 A 120 120 GLU CA C 120 59.223 59.669 -0.446 1
1 1487 . 4 1 1 A 120 120 GLU HA H 120 4.062 4.044 0.018 1
1 1488 . 4 1 1 A 120 120 GLU CB C 120 29.562 29.453 0.109 1
1 1494 . 4 1 1 A 120 120 GLU C C 120 178.823 179.337 -0.514 1
1 1495 . 4 1 1 A 121 121 ARG N N 121 118.760 118.589 0.171 1
1 1496 . 4 1 1 A 121 121 ARG H H 121 7.928 7.818 0.110 1
1 1497 . 4 1 1 A 121 121 ARG CA C 121 58.065 59.603 -1.538 1
1 1498 . 4 1 1 A 121 121 ARG HA H 121 4.136 4.163 -0.027 1
1 1499 . 4 1 1 A 121 121 ARG CB C 121 29.478 30.315 -0.837 1
1 1508 . 4 1 1 A 121 121 ARG C C 121 178.426 178.671 -0.245 1
1 1509 . 4 1 1 A 122 122 GLN N N 122 119.430 119.521 -0.091 1
1 1510 . 4 1 1 A 122 122 GLN H H 122 8.323 8.548 -0.225 1
1 1511 . 4 1 1 A 122 122 GLN CA C 122 58.489 59.129 -0.640 1
1 1512 . 4 1 1 A 122 122 GLN HA H 122 4.352 4.263 0.089 1
1 1513 . 4 1 1 A 122 122 GLN CB C 122 29.611 28.997 0.614 1
1 1522 . 4 1 1 A 122 122 GLN C C 122 177.291 175.964 1.327 1
1 1523 . 4 1 1 A 123 123 ARG N N 123 118.341 117.456 0.885 1
1 1524 . 4 1 1 A 123 123 ARG H H 123 7.920 7.736 0.184 1
1 1525 . 4 1 1 A 123 123 ARG CA C 123 57.695 56.283 1.412 1
1 1526 . 4 1 1 A 123 123 ARG HA H 123 4.266 4.379 -0.113 1
1 1527 . 4 1 1 A 123 123 ARG CB C 123 30.671 30.741 -0.070 1
1 1536 . 4 1 1 A 123 123 ARG C C 123 177.214 175.541 1.673 1
1 1537 . 4 1 1 A 124 124 ARG N N 124 119.452 119.270 0.182 1
1 1538 . 4 1 1 A 124 124 ARG H H 124 7.850 8.823 -0.973 1
1 1539 . 4 1 1 A 124 124 ARG CA C 124 56.814 54.339 2.475 1
1 1540 . 4 1 1 A 124 124 ARG HA H 124 4.300 5.223 -0.923 1
1 1541 . 4 1 1 A 124 124 ARG CB C 124 30.672 33.531 -2.859 1
1 1550 . 4 1 1 A 124 124 ARG C C 124 176.540 174.285 2.255 1
1 1551 . 4 1 1 A 125 125 ARG N N 125 120.963 124.778 -3.815 1
1 1552 . 4 1 1 A 125 125 ARG H H 125 8.081 8.707 -0.626 1
1 1553 . 4 1 1 A 125 125 ARG CA C 125 56.514 55.336 1.178 1
1 1554 . 4 1 1 A 125 125 ARG HA H 125 4.355 4.908 -0.553 1
1 1555 . 4 1 1 A 125 125 ARG CB C 125 30.694 31.919 -1.225 1
1 1564 . 4 1 1 A 125 125 ARG C C 125 176.133 175.641 0.492 1
1 1565 . 4 1 1 A 126 126 LYS N N 126 122.811 126.342 -3.531 1
1 1566 . 4 1 1 A 126 126 LYS H H 126 8.252 8.618 -0.366 1
1 1567 . 4 1 1 A 126 126 LYS CA C 126 56.430 55.354 1.076 1
1 1568 . 4 1 1 A 126 126 LYS HA H 126 4.351 4.493 -0.142 1
1 1569 . 4 1 1 A 126 126 LYS CB C 126 33.017 33.746 -0.729 1
1 1581 . 4 1 1 A 126 126 LYS C C 126 175.649 176.415 -0.766 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.715 59.450 -0.735 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.472 4.347 0.125 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.934 63.733 0.201 1
1 6 . 5 1 1 A 6 6 SER C C 6 174.927 174.891 0.036 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.435 107.884 2.551 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.348 7.477 0.871 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.364 45.724 -0.360 1
1 10 . 5 1 1 A 7 7 GLY HA2 H 7 3.919 4.066 -0.147 1
1 11 . 5 1 1 A 7 7 GLY HA3 H 7 3.919 4.066 -0.147 1
1 12 . 5 1 1 A 7 7 GLY C C 7 173.952 172.501 1.451 1
1 13 . 5 1 1 A 8 8 MET N N 8 119.481 124.399 -4.918 1
1 14 . 5 1 1 A 8 8 MET H H 8 8.163 8.931 -0.768 1
1 15 . 5 1 1 A 8 8 MET CA C 8 55.472 54.619 0.853 1
1 16 . 5 1 1 A 8 8 MET HA H 8 4.486 4.956 -0.470 1
1 17 . 5 1 1 A 8 8 MET CB C 8 33.598 35.981 -2.383 1
1 27 . 5 1 1 A 8 8 MET C C 8 176.019 174.606 1.413 1
1 28 . 5 1 1 A 9 9 ALA N N 9 125.433 126.007 -0.574 1
1 29 . 5 1 1 A 9 9 ALA H H 9 8.436 8.353 0.083 1
1 30 . 5 1 1 A 9 9 ALA CA C 9 52.481 52.697 -0.216 1
1 31 . 5 1 1 A 9 9 ALA HA H 9 4.381 4.456 -0.075 1
1 32 . 5 1 1 A 9 9 ALA CB C 9 19.322 18.931 0.391 1
1 36 . 5 1 1 A 9 9 ALA C C 9 177.349 177.595 -0.246 1
1 37 . 5 1 1 A 10 10 SER N N 10 114.383 118.608 -4.225 1
1 38 . 5 1 1 A 10 10 SER H H 10 8.372 8.977 -0.605 1
1 39 . 5 1 1 A 10 10 SER CA C 10 58.607 57.744 0.863 1
1 40 . 5 1 1 A 10 10 SER HA H 10 4.470 4.989 -0.519 1
1 41 . 5 1 1 A 10 10 SER CB C 10 63.979 67.043 -3.064 1
1 44 . 5 1 1 A 10 10 SER C C 10 174.323 173.358 0.965 1
1 45 . 5 1 1 A 11 11 SER N N 11 116.549 117.157 -0.608 1
1 46 . 5 1 1 A 11 11 SER H H 11 8.111 8.656 -0.545 1
1 47 . 5 1 1 A 11 11 SER CA C 11 58.189 58.051 0.138 1
1 48 . 5 1 1 A 11 11 SER HA H 11 4.487 4.423 0.064 1
1 49 . 5 1 1 A 11 11 SER CB C 11 64.081 64.066 0.015 1
1 52 . 5 1 1 A 11 11 SER C C 11 173.692 174.254 -0.562 1
1 53 . 5 1 1 A 12 12 VAL N N 12 120.502 122.178 -1.676 1
1 54 . 5 1 1 A 12 12 VAL H H 12 8.207 8.167 0.040 1
1 55 . 5 1 1 A 12 12 VAL CA C 12 61.847 63.517 -1.670 1
1 56 . 5 1 1 A 12 12 VAL HA H 12 4.150 3.965 0.185 1
1 57 . 5 1 1 A 12 12 VAL CB C 12 33.269 31.996 1.273 1
1 67 . 5 1 1 A 12 12 VAL C C 12 174.930 175.444 -0.514 1
1 68 . 5 1 1 A 13 13 ASP N N 13 124.104 127.726 -3.622 1
1 69 . 5 1 1 A 13 13 ASP H H 13 7.953 8.377 -0.424 1
1 70 . 5 1 1 A 13 13 ASP CA C 13 53.249 52.671 0.578 1
1 71 . 5 1 1 A 13 13 ASP HA H 13 4.661 4.840 -0.179 1
1 72 . 5 1 1 A 13 13 ASP CB C 13 41.891 42.992 -1.101 1
1 75 . 5 1 1 A 13 13 ASP C C 13 176.009 177.578 -1.569 1
1 76 . 5 1 1 A 14 14 GLU N N 14 120.197 122.362 -2.165 1
1 77 . 5 1 1 A 14 14 GLU H H 14 8.568 8.994 -0.426 1
1 78 . 5 1 1 A 14 14 GLU CA C 14 59.932 59.572 0.360 1
1 79 . 5 1 1 A 14 14 GLU HA H 14 3.944 4.033 -0.089 1
1 80 . 5 1 1 A 14 14 GLU CB C 14 29.670 29.145 0.525 1
1 86 . 5 1 1 A 14 14 GLU C C 14 178.863 178.723 0.140 1
1 87 . 5 1 1 A 15 15 GLU N N 15 120.713 119.102 1.611 1
1 88 . 5 1 1 A 15 15 GLU H H 15 8.312 7.797 0.515 1
1 89 . 5 1 1 A 15 15 GLU CA C 15 59.101 59.255 -0.154 1
1 90 . 5 1 1 A 15 15 GLU HA H 15 4.244 4.127 0.117 1
1 91 . 5 1 1 A 15 15 GLU CB C 15 28.917 29.464 -0.547 1
1 97 . 5 1 1 A 15 15 GLU C C 15 178.511 178.959 -0.448 1
1 98 . 5 1 1 A 16 16 ALA N N 16 123.041 122.098 0.943 1
1 99 . 5 1 1 A 16 16 ALA H H 16 8.047 7.996 0.051 1
1 100 . 5 1 1 A 16 16 ALA CA C 16 54.830 55.123 -0.293 1
1 101 . 5 1 1 A 16 16 ALA HA H 16 4.093 4.111 -0.018 1
1 102 . 5 1 1 A 16 16 ALA CB C 16 18.371 18.610 -0.239 1
1 106 . 5 1 1 A 16 16 ALA C C 16 181.428 180.245 1.183 1
1 107 . 5 1 1 A 17 17 LEU N N 17 119.436 118.582 0.854 1
1 108 . 5 1 1 A 17 17 LEU H H 17 8.042 7.613 0.429 1
1 109 . 5 1 1 A 17 17 LEU CA C 17 57.623 57.934 -0.311 1
1 110 . 5 1 1 A 17 17 LEU HA H 17 3.838 4.024 -0.186 1
1 111 . 5 1 1 A 17 17 LEU CB C 17 41.323 41.761 -0.438 1
1 124 . 5 1 1 A 17 17 LEU C C 17 177.590 179.107 -1.517 1
1 125 . 5 1 1 A 18 18 HIS N N 18 118.394 118.230 0.164 1
1 126 . 5 1 1 A 18 18 HIS H H 18 8.182 8.155 0.027 1
1 127 . 5 1 1 A 18 18 HIS CA C 18 59.415 60.185 -0.770 1
1 128 . 5 1 1 A 18 18 HIS HA H 18 4.435 4.000 0.435 1
1 129 . 5 1 1 A 18 18 HIS CB C 18 29.560 29.830 -0.270 1
1 136 . 5 1 1 A 18 18 HIS C C 18 178.114 176.799 1.315 1
1 137 . 5 1 1 A 19 19 GLN N N 19 115.623 117.497 -1.874 1
1 138 . 5 1 1 A 19 19 GLN H H 19 8.178 7.995 0.183 1
1 139 . 5 1 1 A 19 19 GLN CA C 19 58.406 59.039 -0.633 1
1 140 . 5 1 1 A 19 19 GLN HA H 19 3.904 3.769 0.135 1
1 141 . 5 1 1 A 19 19 GLN CB C 19 28.118 28.188 -0.070 1
1 150 . 5 1 1 A 19 19 GLN C C 19 179.132 178.593 0.539 1
1 151 . 5 1 1 A 20 20 LEU N N 20 122.817 121.436 1.381 1
1 152 . 5 1 1 A 20 20 LEU H H 20 7.949 8.018 -0.069 1
1 153 . 5 1 1 A 20 20 LEU CA C 20 58.278 57.770 0.508 1
1 154 . 5 1 1 A 20 20 LEU HA H 20 4.233 4.164 0.069 1
1 155 . 5 1 1 A 20 20 LEU CB C 20 40.850 41.630 -0.780 1
1 168 . 5 1 1 A 20 20 LEU C C 20 178.466 178.174 0.292 1
1 169 . 5 1 1 A 21 21 TYR N N 21 118.825 119.117 -0.292 1
1 170 . 5 1 1 A 21 21 TYR H H 21 8.376 8.205 0.171 1
1 171 . 5 1 1 A 21 21 TYR CA C 21 60.605 61.396 -0.791 1
1 172 . 5 1 1 A 21 21 TYR HA H 21 4.286 4.391 -0.105 1
1 173 . 5 1 1 A 21 21 TYR CB C 21 36.667 37.826 -1.159 1
1 184 . 5 1 1 A 21 21 TYR C C 21 178.654 178.561 0.093 1
1 185 . 5 1 1 A 22 22 LEU N N 22 118.954 120.647 -1.693 1
1 186 . 5 1 1 A 22 22 LEU H H 22 7.869 7.804 0.065 1
1 187 . 5 1 1 A 22 22 LEU CA C 22 57.887 57.318 0.569 1
1 188 . 5 1 1 A 22 22 LEU HA H 22 4.076 4.166 -0.090 1
1 189 . 5 1 1 A 22 22 LEU CB C 22 42.250 41.814 0.436 1
1 202 . 5 1 1 A 22 22 LEU C C 22 178.877 179.037 -0.160 1
1 203 . 5 1 1 A 23 23 TRP N N 23 120.668 120.352 0.316 1
1 204 . 5 1 1 A 23 23 TRP H H 23 7.804 8.117 -0.313 1
1 205 . 5 1 1 A 23 23 TRP CA C 23 60.711 61.299 -0.588 1
1 206 . 5 1 1 A 23 23 TRP HA H 23 4.436 4.192 0.244 1
1 207 . 5 1 1 A 23 23 TRP CB C 23 28.035 29.596 -1.561 1
1 222 . 5 1 1 A 23 23 TRP C C 23 178.471 178.417 0.054 1
1 223 . 5 1 1 A 24 24 VAL N N 24 116.831 119.773 -2.942 1
1 224 . 5 1 1 A 24 24 VAL H H 24 8.503 7.981 0.522 1
1 225 . 5 1 1 A 24 24 VAL CA C 24 66.014 66.164 -0.150 1
1 226 . 5 1 1 A 24 24 VAL HA H 24 3.084 3.009 0.075 1
1 227 . 5 1 1 A 24 24 VAL CB C 24 31.826 31.492 0.334 1
1 237 . 5 1 1 A 24 24 VAL C C 24 178.212 177.663 0.549 1
1 238 . 5 1 1 A 25 25 ASP N N 25 117.894 120.891 -2.997 1
1 239 . 5 1 1 A 25 25 ASP H H 25 8.140 8.562 -0.422 1
1 240 . 5 1 1 A 25 25 ASP CA C 25 57.043 57.534 -0.491 1
1 241 . 5 1 1 A 25 25 ASP HA H 25 4.290 4.252 0.038 1
1 242 . 5 1 1 A 25 25 ASP CB C 25 41.067 41.355 -0.288 1
1 245 . 5 1 1 A 25 25 ASP C C 25 177.163 177.811 -0.648 1
1 246 . 5 1 1 A 26 26 ASN N N 26 114.914 114.543 0.371 1
1 247 . 5 1 1 A 26 26 ASN H H 26 7.229 8.119 -0.890 1
1 248 . 5 1 1 A 26 26 ASN CA C 26 53.375 55.795 -2.420 1
1 249 . 5 1 1 A 26 26 ASN HA H 26 4.607 4.374 0.233 1
1 250 . 5 1 1 A 26 26 ASN CB C 26 40.048 37.788 2.260 1
1 256 . 5 1 1 A 26 26 ASN C C 26 174.227 175.863 -1.636 1
1 257 . 5 1 1 A 27 27 ILE N N 27 123.268 122.700 0.568 1
1 258 . 5 1 1 A 27 27 ILE H H 27 7.212 7.017 0.195 1
1 259 . 5 1 1 A 27 27 ILE CA C 27 58.327 60.332 -2.005 1
1 260 . 5 1 1 A 27 27 ILE HA H 27 3.628 3.769 -0.141 1
1 261 . 5 1 1 A 27 27 ILE CB C 27 39.403 37.801 1.602 1
1 274 . 5 1 1 A 27 27 ILE C C 27 173.764 174.349 -0.585 1
1 275 . 5 1 1 A 28 28 PRO CA C 28 62.584 62.349 0.235 1
1 276 . 5 1 1 A 28 28 PRO HA H 28 4.354 4.621 -0.267 1
1 277 . 5 1 1 A 28 28 PRO CB C 28 30.056 31.188 -1.132 1
1 286 . 5 1 1 A 28 28 PRO C C 28 175.419 175.580 -0.161 1
1 287 . 5 1 1 A 29 29 LEU N N 29 125.355 125.270 0.085 1
1 288 . 5 1 1 A 29 29 LEU H H 29 8.118 8.608 -0.490 1
1 289 . 5 1 1 A 29 29 LEU CA C 29 53.358 53.001 0.357 1
1 290 . 5 1 1 A 29 29 LEU HA H 29 4.748 4.852 -0.104 1
1 291 . 5 1 1 A 29 29 LEU CB C 29 45.279 45.494 -0.215 1
1 304 . 5 1 1 A 29 29 LEU C C 29 178.577 175.995 2.582 1
1 305 . 5 1 1 A 31 31 ARG CA C 31 53.250 54.387 -1.137 1
1 306 . 5 1 1 A 31 31 ARG HA H 31 4.787 4.727 0.060 1
1 307 . 5 1 1 A 31 31 ARG CB C 31 32.107 32.633 -0.526 1
1 316 . 5 1 1 A 32 32 PRO CA C 32 62.865 62.245 0.620 1
1 317 . 5 1 1 A 32 32 PRO HA H 32 4.300 4.555 -0.255 1
1 318 . 5 1 1 A 32 32 PRO CB C 32 32.193 33.147 -0.954 1
1 327 . 5 1 1 A 33 33 LYS CA C 33 56.154 55.792 0.362 1
1 328 . 5 1 1 A 33 33 LYS HA H 33 4.361 4.808 -0.447 1
1 329 . 5 1 1 A 33 33 LYS CB C 33 32.368 33.123 -0.755 1
1 341 . 5 1 1 A 34 34 ARG N N 34 122.768 123.792 -1.024 1
1 342 . 5 1 1 A 34 34 ARG H H 34 8.410 8.803 -0.393 1
1 343 . 5 1 1 A 34 34 ARG HA H 34 4.336 4.836 -0.500 1
1 344 . 5 1 1 A 34 34 ARG CB C 34 31.894 34.303 -2.409 1
1 349 . 5 1 1 A 35 35 ASN CA C 35 53.153 53.715 -0.562 1
1 350 . 5 1 1 A 35 35 ASN HA H 35 4.771 4.687 0.084 1
1 351 . 5 1 1 A 35 35 ASN CB C 35 39.425 37.755 1.670 1
1 357 . 5 1 1 A 36 36 LEU N N 36 110.943 123.801 -12.858 1
1 358 . 5 1 1 A 36 36 LEU H H 36 8.305 8.337 -0.032 1
1 359 . 5 1 1 A 36 36 LEU CA C 36 60.191 57.799 2.392 1
1 360 . 5 1 1 A 36 36 LEU HA H 36 4.140 4.158 -0.018 1
1 361 . 5 1 1 A 36 36 LEU CB C 36 41.876 41.174 0.702 1
1 374 . 5 1 1 A 37 37 SER CA C 37 61.673 61.577 0.096 1
1 375 . 5 1 1 A 37 37 SER HA H 37 4.080 3.946 0.134 1
1 376 . 5 1 1 A 37 37 SER CB C 37 62.700 62.976 -0.276 1
1 379 . 5 1 1 A 38 38 ARG N N 38 119.288 121.162 -1.874 1
1 380 . 5 1 1 A 38 38 ARG H H 38 7.773 7.727 0.046 1
1 381 . 5 1 1 A 38 38 ARG HA H 38 4.587 4.170 0.417 1
1 384 . 5 1 1 A 39 39 ASP N N 39 121.607 119.622 1.985 1
1 385 . 5 1 1 A 39 39 ASP H H 39 9.487 7.957 1.530 1
1 386 . 5 1 1 A 39 39 ASP CA C 39 58.026 57.193 0.833 1
1 387 . 5 1 1 A 39 39 ASP HA H 39 4.518 4.379 0.139 1
1 388 . 5 1 1 A 39 39 ASP CB C 39 40.039 41.440 -1.401 1
1 391 . 5 1 1 A 40 40 PHE N N 40 115.310 118.481 -3.171 1
1 392 . 5 1 1 A 40 40 PHE H H 40 8.300 9.097 -0.797 1
1 393 . 5 1 1 A 40 40 PHE CA C 40 59.420 60.605 -1.185 1
1 394 . 5 1 1 A 40 40 PHE HA H 40 4.605 4.344 0.261 1
1 395 . 5 1 1 A 40 40 PHE CB C 40 39.030 38.851 0.179 1
1 408 . 5 1 1 A 41 41 SER N N 41 115.417 115.187 0.230 1
1 409 . 5 1 1 A 41 41 SER H H 41 7.441 8.285 -0.844 1
1 410 . 5 1 1 A 41 41 SER CA C 41 62.290 61.669 0.621 1
1 411 . 5 1 1 A 41 41 SER HA H 41 4.341 4.498 -0.157 1
1 412 . 5 1 1 A 41 41 SER CB C 41 64.510 62.777 1.733 1
1 415 . 5 1 1 A 42 42 ASP N N 42 117.563 121.192 -3.629 1
1 416 . 5 1 1 A 42 42 ASP H H 42 8.726 8.269 0.457 1
1 417 . 5 1 1 A 42 42 ASP CA C 42 53.746 55.700 -1.954 1
1 418 . 5 1 1 A 42 42 ASP HA H 42 4.780 4.448 0.332 1
1 419 . 5 1 1 A 42 42 ASP CB C 42 42.695 41.048 1.647 1
1 422 . 5 1 1 A 42 42 ASP C C 42 176.013 176.428 -0.415 1
1 423 . 5 1 1 A 43 43 GLY N N 43 106.643 107.115 -0.472 1
1 424 . 5 1 1 A 43 43 GLY H H 43 7.388 8.021 -0.633 1
1 425 . 5 1 1 A 43 43 GLY CA C 43 45.230 44.991 0.239 1
1 426 . 5 1 1 A 43 43 GLY HA2 H 43 3.131 3.467 -0.336 1
1 427 . 5 1 1 A 43 43 GLY HA3 H 43 2.588 3.576 -0.988 1
1 428 . 5 1 1 A 43 43 GLY C C 43 173.476 175.764 -2.288 1
1 429 . 5 1 1 A 44 44 VAL N N 44 121.300 120.334 0.966 1
1 430 . 5 1 1 A 44 44 VAL H H 44 7.874 7.982 -0.108 1
1 431 . 5 1 1 A 44 44 VAL CA C 44 67.198 65.395 1.803 1
1 432 . 5 1 1 A 44 44 VAL HA H 44 3.018 3.567 -0.549 1
1 433 . 5 1 1 A 44 44 VAL CB C 44 31.139 31.537 -0.398 1
1 443 . 5 1 1 A 44 44 VAL C C 44 177.853 177.779 0.074 1
1 444 . 5 1 1 A 45 45 LEU N N 45 114.495 120.872 -6.377 1
1 445 . 5 1 1 A 45 45 LEU H H 45 8.945 8.100 0.845 1
1 446 . 5 1 1 A 45 45 LEU CA C 45 57.466 57.981 -0.515 1
1 447 . 5 1 1 A 45 45 LEU HA H 45 3.838 3.836 0.002 1
1 448 . 5 1 1 A 45 45 LEU CB C 45 40.503 41.436 -0.933 1
1 461 . 5 1 1 A 45 45 LEU C C 45 179.257 178.510 0.747 1
1 462 . 5 1 1 A 46 46 VAL N N 46 118.354 119.239 -0.885 1
1 463 . 5 1 1 A 46 46 VAL H H 46 7.422 7.611 -0.189 1
1 464 . 5 1 1 A 46 46 VAL CA C 46 67.288 66.382 0.906 1
1 465 . 5 1 1 A 46 46 VAL HA H 46 3.469 3.354 0.115 1
1 466 . 5 1 1 A 46 46 VAL CB C 46 30.173 31.444 -1.271 1
1 476 . 5 1 1 A 46 46 VAL C C 46 176.954 178.008 -1.054 1
1 477 . 5 1 1 A 47 47 ALA N N 47 121.963 121.538 0.425 1
1 478 . 5 1 1 A 47 47 ALA H H 47 7.272 7.738 -0.466 1
1 479 . 5 1 1 A 47 47 ALA CA C 47 55.991 55.298 0.693 1
1 480 . 5 1 1 A 47 47 ALA HA H 47 3.576 3.750 -0.174 1
1 481 . 5 1 1 A 47 47 ALA CB C 47 17.292 18.157 -0.865 1
1 485 . 5 1 1 A 47 47 ALA C C 47 178.880 179.949 -1.069 1
1 486 . 5 1 1 A 48 48 GLU N N 48 116.763 118.270 -1.507 1
1 487 . 5 1 1 A 48 48 GLU H H 48 8.081 7.693 0.388 1
1 488 . 5 1 1 A 48 48 GLU CA C 48 60.605 59.196 1.409 1
1 489 . 5 1 1 A 48 48 GLU HA H 48 3.851 3.958 -0.107 1
1 490 . 5 1 1 A 48 48 GLU CB C 48 30.467 29.679 0.788 1
1 496 . 5 1 1 A 48 48 GLU C C 48 180.175 179.589 0.586 1
1 497 . 5 1 1 A 49 49 VAL N N 49 122.024 119.822 2.202 1
1 498 . 5 1 1 A 49 49 VAL H H 49 8.325 7.591 0.734 1
1 499 . 5 1 1 A 49 49 VAL CA C 49 67.146 66.292 0.854 1
1 500 . 5 1 1 A 49 49 VAL HA H 49 3.530 3.664 -0.134 1
1 501 . 5 1 1 A 49 49 VAL CB C 49 31.543 31.426 0.117 1
1 511 . 5 1 1 A 49 49 VAL C C 49 177.168 178.381 -1.213 1
1 512 . 5 1 1 A 50 50 ILE N N 50 117.821 120.804 -2.983 1
1 513 . 5 1 1 A 50 50 ILE H H 50 7.947 7.969 -0.022 1
1 514 . 5 1 1 A 50 50 ILE CA C 50 66.217 65.203 1.014 1
1 515 . 5 1 1 A 50 50 ILE HA H 50 3.757 3.794 -0.037 1
1 516 . 5 1 1 A 50 50 ILE CB C 50 37.952 37.085 0.867 1
1 529 . 5 1 1 A 50 50 ILE C C 50 177.890 177.847 0.043 1
1 530 . 5 1 1 A 51 51 LYS N N 51 121.589 121.144 0.445 1
1 531 . 5 1 1 A 51 51 LYS H H 51 8.790 7.893 0.897 1
1 532 . 5 1 1 A 51 51 LYS CA C 51 58.277 59.574 -1.297 1
1 533 . 5 1 1 A 51 51 LYS HA H 51 3.816 4.017 -0.201 1
1 534 . 5 1 1 A 51 51 LYS CB C 51 32.898 32.548 0.350 1
1 546 . 5 1 1 A 51 51 LYS C C 51 176.668 178.530 -1.862 1
1 547 . 5 1 1 A 52 52 PHE N N 52 117.622 120.345 -2.723 1
1 548 . 5 1 1 A 52 52 PHE H H 52 7.768 8.207 -0.439 1
1 549 . 5 1 1 A 52 52 PHE CA C 52 60.585 61.674 -1.089 1
1 550 . 5 1 1 A 52 52 PHE HA H 52 4.090 4.053 0.037 1
1 551 . 5 1 1 A 52 52 PHE CB C 52 38.775 38.809 -0.034 1
1 564 . 5 1 1 A 52 52 PHE C C 52 176.831 176.853 -0.022 1
1 565 . 5 1 1 A 53 53 TYR N N 53 115.876 116.716 -0.840 1
1 566 . 5 1 1 A 53 53 TYR H H 53 7.346 8.160 -0.814 1
1 567 . 5 1 1 A 53 53 TYR CA C 53 61.264 60.047 1.217 1
1 568 . 5 1 1 A 53 53 TYR HA H 53 3.697 3.653 0.044 1
1 569 . 5 1 1 A 53 53 TYR CB C 53 41.522 37.890 3.632 1
1 580 . 5 1 1 A 53 53 TYR C C 53 175.972 175.461 0.511 1
1 581 . 5 1 1 A 54 54 PHE N N 54 116.478 116.127 0.351 1
1 582 . 5 1 1 A 54 54 PHE H H 54 8.877 8.417 0.460 1
1 583 . 5 1 1 A 54 54 PHE CA C 54 55.553 54.851 0.702 1
1 584 . 5 1 1 A 54 54 PHE HA H 54 5.173 5.034 0.139 1
1 585 . 5 1 1 A 54 54 PHE CB C 54 40.841 40.302 0.539 1
1 598 . 5 1 1 A 54 54 PHE C C 54 173.424 174.435 -1.011 1
1 599 . 5 1 1 A 55 55 PRO CA C 55 65.147 64.850 0.297 1
1 600 . 5 1 1 A 55 55 PRO HA H 55 4.591 4.396 0.195 1
1 601 . 5 1 1 A 55 55 PRO CB C 55 32.014 32.172 -0.158 1
1 610 . 5 1 1 A 55 55 PRO C C 55 179.255 178.502 0.753 1
1 611 . 5 1 1 A 56 56 LYS N N 56 113.672 116.478 -2.806 1
1 612 . 5 1 1 A 56 56 LYS H H 56 8.639 8.858 -0.219 1
1 613 . 5 1 1 A 56 56 LYS CA C 56 56.918 58.997 -2.079 1
1 614 . 5 1 1 A 56 56 LYS HA H 56 4.384 4.114 0.270 1
1 615 . 5 1 1 A 56 56 LYS CB C 56 31.868 32.044 -0.176 1
1 627 . 5 1 1 A 56 56 LYS C C 56 178.220 179.292 -1.072 1
1 628 . 5 1 1 A 57 57 MET N N 57 116.692 118.488 -1.796 1
1 629 . 5 1 1 A 57 57 MET H H 57 8.099 8.161 -0.062 1
1 630 . 5 1 1 A 57 57 MET CA C 57 57.537 58.869 -1.332 1
1 631 . 5 1 1 A 57 57 MET HA H 57 4.260 4.236 0.024 1
1 632 . 5 1 1 A 57 57 MET CB C 57 35.400 32.189 3.211 1
1 642 . 5 1 1 A 57 57 MET C C 57 174.856 177.043 -2.187 1
1 643 . 5 1 1 A 58 58 VAL N N 58 114.727 119.058 -4.331 1
1 644 . 5 1 1 A 58 58 VAL H H 58 6.872 7.778 -0.906 1
1 645 . 5 1 1 A 58 58 VAL CA C 58 60.834 62.855 -2.021 1
1 646 . 5 1 1 A 58 58 VAL HA H 58 4.421 4.061 0.360 1
1 647 . 5 1 1 A 58 58 VAL CB C 58 36.223 32.467 3.756 1
1 657 . 5 1 1 A 58 58 VAL C C 58 173.747 175.561 -1.814 1
1 658 . 5 1 1 A 59 59 GLU N N 59 127.314 127.384 -0.070 1
1 659 . 5 1 1 A 59 59 GLU H H 59 8.783 8.991 -0.208 1
1 660 . 5 1 1 A 59 59 GLU CA C 59 54.465 55.129 -0.664 1
1 661 . 5 1 1 A 59 59 GLU HA H 59 4.671 4.752 -0.081 1
1 662 . 5 1 1 A 59 59 GLU CB C 59 30.020 30.472 -0.452 1
1 668 . 5 1 1 A 59 59 GLU C C 59 176.450 175.444 1.006 1
1 669 . 5 1 1 A 60 60 MET N N 60 122.273 125.752 -3.479 1
1 670 . 5 1 1 A 60 60 MET H H 60 9.004 8.575 0.429 1
1 671 . 5 1 1 A 60 60 MET CA C 60 55.751 54.427 1.324 1
1 672 . 5 1 1 A 60 60 MET HA H 60 4.613 4.686 -0.073 1
1 673 . 5 1 1 A 60 60 MET CB C 60 29.356 30.340 -0.984 1
1 683 . 5 1 1 A 60 60 MET C C 60 178.387 176.154 2.233 1
1 684 . 5 1 1 A 61 61 HIS N N 61 115.823 118.196 -2.373 1
1 685 . 5 1 1 A 61 61 HIS H H 61 8.198 8.140 0.058 1
1 686 . 5 1 1 A 61 61 HIS CA C 61 57.963 56.846 1.117 1
1 687 . 5 1 1 A 61 61 HIS HA H 61 4.341 4.743 -0.402 1
1 688 . 5 1 1 A 61 61 HIS CB C 61 29.235 31.482 -2.247 1
1 695 . 5 1 1 A 61 61 HIS C C 61 175.800 175.811 -0.011 1
1 696 . 5 1 1 A 62 62 ASN N N 62 115.093 114.917 0.176 1
1 697 . 5 1 1 A 62 62 ASN H H 62 6.895 7.769 -0.874 1
1 698 . 5 1 1 A 62 62 ASN CA C 62 54.503 55.058 -0.555 1
1 699 . 5 1 1 A 62 62 ASN HA H 62 3.872 4.560 -0.688 1
1 700 . 5 1 1 A 62 62 ASN CB C 62 38.749 39.328 -0.579 1
1 706 . 5 1 1 A 62 62 ASN C C 62 173.014 175.884 -2.870 1
1 707 . 5 1 1 A 63 63 TYR N N 63 118.560 117.740 0.820 1
1 708 . 5 1 1 A 63 63 TYR H H 63 7.255 7.540 -0.285 1
1 709 . 5 1 1 A 63 63 TYR CA C 63 56.311 59.608 -3.297 1
1 710 . 5 1 1 A 63 63 TYR HA H 63 4.481 4.652 -0.171 1
1 711 . 5 1 1 A 63 63 TYR CB C 63 39.138 39.318 -0.180 1
1 722 . 5 1 1 A 63 63 TYR C C 63 173.223 176.250 -3.027 1
1 723 . 5 1 1 A 64 64 VAL N N 64 122.318 123.453 -1.135 1
1 724 . 5 1 1 A 64 64 VAL H H 64 7.750 8.641 -0.891 1
1 725 . 5 1 1 A 64 64 VAL CA C 64 58.601 58.560 0.041 1
1 726 . 5 1 1 A 64 64 VAL HA H 64 4.469 4.552 -0.083 1
1 727 . 5 1 1 A 64 64 VAL CB C 64 33.747 34.997 -1.250 1
1 737 . 5 1 1 A 64 64 VAL C C 64 173.983 174.019 -0.036 1
1 738 . 5 1 1 A 65 65 PRO CA C 65 63.212 62.415 0.797 1
1 739 . 5 1 1 A 65 65 PRO HA H 65 4.348 4.780 -0.432 1
1 740 . 5 1 1 A 65 65 PRO CB C 65 31.279 31.753 -0.474 1
1 749 . 5 1 1 A 65 65 PRO C C 65 176.821 176.041 0.780 1
1 750 . 5 1 1 A 66 66 ALA N N 66 125.896 126.019 -0.123 1
1 751 . 5 1 1 A 66 66 ALA H H 66 8.563 8.427 0.136 1
1 752 . 5 1 1 A 66 66 ALA CA C 66 52.003 50.742 1.261 1
1 753 . 5 1 1 A 66 66 ALA HA H 66 4.651 4.728 -0.077 1
1 754 . 5 1 1 A 66 66 ALA CB C 66 24.137 21.856 2.281 1
1 758 . 5 1 1 A 66 66 ALA C C 66 176.244 176.562 -0.318 1
1 759 . 5 1 1 A 67 67 ASN CA C 67 52.862 54.411 -1.549 1
1 760 . 5 1 1 A 67 67 ASN HA H 67 4.988 4.969 0.019 1
1 761 . 5 1 1 A 67 67 ASN CB C 67 40.168 40.572 -0.404 1
1 767 . 5 1 1 A 67 67 ASN C C 67 174.896 175.644 -0.748 1
1 768 . 5 1 1 A 68 68 SER N N 68 114.553 115.446 -0.893 1
1 769 . 5 1 1 A 68 68 SER H H 68 7.777 7.770 0.007 1
1 770 . 5 1 1 A 68 68 SER CA C 68 56.741 59.191 -2.450 1
1 771 . 5 1 1 A 68 68 SER HA H 68 4.737 4.484 0.253 1
1 772 . 5 1 1 A 68 68 SER CB C 68 65.267 64.409 0.858 1
1 775 . 5 1 1 A 68 68 SER C C 68 174.542 174.802 -0.260 1
1 776 . 5 1 1 A 69 69 LEU CA C 69 59.000 57.819 1.181 1
1 777 . 5 1 1 A 69 69 LEU HA H 69 3.961 4.139 -0.178 1
1 778 . 5 1 1 A 69 69 LEU CB C 69 41.679 41.943 -0.264 1
1 791 . 5 1 1 A 69 69 LEU C C 69 178.629 178.382 0.247 1
1 792 . 5 1 1 A 70 70 GLN N N 70 115.924 116.819 -0.895 1
1 793 . 5 1 1 A 70 70 GLN H H 70 8.785 8.243 0.542 1
1 794 . 5 1 1 A 70 70 GLN CA C 70 59.728 58.559 1.169 1
1 795 . 5 1 1 A 70 70 GLN HA H 70 3.977 4.135 -0.158 1
1 796 . 5 1 1 A 70 70 GLN CB C 70 27.912 28.462 -0.550 1
1 805 . 5 1 1 A 70 70 GLN C C 70 178.954 177.789 1.165 1
1 806 . 5 1 1 A 71 71 GLN N N 71 118.694 119.442 -0.748 1
1 807 . 5 1 1 A 71 71 GLN H H 71 7.780 8.171 -0.391 1
1 808 . 5 1 1 A 71 71 GLN CA C 71 58.233 59.129 -0.896 1
1 809 . 5 1 1 A 71 71 GLN HA H 71 4.219 3.984 0.235 1
1 810 . 5 1 1 A 71 71 GLN CB C 71 29.089 27.955 1.134 1
1 819 . 5 1 1 A 71 71 GLN C C 71 178.724 178.559 0.165 1
1 820 . 5 1 1 A 72 72 LYS N N 72 119.661 119.905 -0.244 1
1 821 . 5 1 1 A 72 72 LYS H H 72 8.094 7.997 0.097 1
1 822 . 5 1 1 A 72 72 LYS CA C 72 61.528 59.428 2.100 1
1 823 . 5 1 1 A 72 72 LYS HA H 72 4.206 4.103 0.103 1
1 824 . 5 1 1 A 72 72 LYS CB C 72 33.806 32.304 1.502 1
1 836 . 5 1 1 A 72 72 LYS C C 72 179.041 179.505 -0.464 1
1 837 . 5 1 1 A 73 73 LEU N N 73 117.098 120.966 -3.868 1
1 838 . 5 1 1 A 73 73 LEU H H 73 8.602 7.769 0.833 1
1 839 . 5 1 1 A 73 73 LEU CA C 73 58.118 57.867 0.251 1
1 840 . 5 1 1 A 73 73 LEU HA H 73 4.287 4.094 0.193 1
1 841 . 5 1 1 A 73 73 LEU CB C 73 40.831 41.468 -0.637 1
1 854 . 5 1 1 A 73 73 LEU C C 73 180.838 179.244 1.594 1
1 855 . 5 1 1 A 74 74 SER N N 74 118.060 113.853 4.207 1
1 856 . 5 1 1 A 74 74 SER H H 74 8.334 8.176 0.158 1
1 857 . 5 1 1 A 74 74 SER CA C 74 61.971 61.704 0.267 1
1 858 . 5 1 1 A 74 74 SER HA H 74 4.431 4.087 0.344 1
1 859 . 5 1 1 A 74 74 SER CB C 74 62.560 62.988 -0.428 1
1 862 . 5 1 1 A 74 74 SER C C 74 177.493 177.537 -0.044 1
1 863 . 5 1 1 A 75 75 ASN N N 75 121.688 119.127 2.561 1
1 864 . 5 1 1 A 75 75 ASN H H 75 8.266 8.691 -0.425 1
1 865 . 5 1 1 A 75 75 ASN CA C 75 56.090 56.578 -0.488 1
1 866 . 5 1 1 A 75 75 ASN HA H 75 4.739 4.643 0.096 1
1 867 . 5 1 1 A 75 75 ASN CB C 75 38.184 38.325 -0.141 1
1 873 . 5 1 1 A 75 75 ASN C C 75 177.792 178.065 -0.273 1
1 874 . 5 1 1 A 76 76 TRP N N 76 118.943 120.057 -1.114 1
1 875 . 5 1 1 A 76 76 TRP H H 76 8.510 8.597 -0.087 1
1 876 . 5 1 1 A 76 76 TRP CA C 76 62.294 59.533 2.761 1
1 877 . 5 1 1 A 76 76 TRP HA H 76 4.173 4.189 -0.016 1
1 878 . 5 1 1 A 76 76 TRP CB C 76 29.223 29.002 0.221 1
1 893 . 5 1 1 A 76 76 TRP C C 76 178.579 179.030 -0.451 1
1 894 . 5 1 1 A 77 77 GLY N N 77 107.789 107.666 0.123 1
1 895 . 5 1 1 A 77 77 GLY H H 77 8.954 9.034 -0.080 1
1 896 . 5 1 1 A 77 77 GLY CA C 77 47.600 47.295 0.305 1
1 897 . 5 1 1 A 77 77 GLY HA2 H 77 4.122 3.705 0.417 1
1 898 . 5 1 1 A 77 77 GLY HA3 H 77 3.977 3.788 0.189 1
1 899 . 5 1 1 A 77 77 GLY C C 77 176.076 176.274 -0.198 1
1 900 . 5 1 1 A 78 78 HIS N N 78 122.925 120.201 2.724 1
1 901 . 5 1 1 A 78 78 HIS H H 78 8.127 7.656 0.471 1
1 902 . 5 1 1 A 78 78 HIS CA C 78 61.550 58.339 3.211 1
1 903 . 5 1 1 A 78 78 HIS HA H 78 4.206 4.770 -0.564 1
1 904 . 5 1 1 A 78 78 HIS CB C 78 30.794 29.393 1.401 1
1 911 . 5 1 1 A 78 78 HIS C C 78 177.572 177.723 -0.151 1
1 912 . 5 1 1 A 79 79 LEU N N 79 120.009 120.655 -0.646 1
1 913 . 5 1 1 A 79 79 LEU H H 79 8.726 8.030 0.696 1
1 914 . 5 1 1 A 79 79 LEU CA C 79 58.252 57.830 0.422 1
1 915 . 5 1 1 A 79 79 LEU HA H 79 4.227 4.072 0.155 1
1 916 . 5 1 1 A 79 79 LEU CB C 79 43.075 41.841 1.234 1
1 929 . 5 1 1 A 79 79 LEU C C 79 181.067 178.701 2.366 1
1 930 . 5 1 1 A 80 80 ASN N N 80 119.257 117.186 2.071 1
1 931 . 5 1 1 A 80 80 ASN H H 80 9.270 8.044 1.226 1
1 932 . 5 1 1 A 80 80 ASN CA C 80 57.279 56.290 0.989 1
1 933 . 5 1 1 A 80 80 ASN HA H 80 4.595 4.584 0.011 1
1 934 . 5 1 1 A 80 80 ASN CB C 80 40.403 39.046 1.357 1
1 940 . 5 1 1 A 80 80 ASN C C 80 177.177 176.791 0.386 1
1 941 . 5 1 1 A 81 81 ARG N N 81 115.731 117.361 -1.630 1
1 942 . 5 1 1 A 81 81 ARG H H 81 8.085 8.517 -0.432 1
1 943 . 5 1 1 A 81 81 ARG CA C 81 59.249 55.798 3.451 1
1 944 . 5 1 1 A 81 81 ARG HA H 81 4.167 4.565 -0.398 1
1 945 . 5 1 1 A 81 81 ARG CB C 81 31.579 30.666 0.913 1
1 954 . 5 1 1 A 81 81 ARG C C 81 177.890 176.822 1.068 1
1 955 . 5 1 1 A 82 82 LYS N N 82 113.840 117.564 -3.724 1
1 956 . 5 1 1 A 82 82 LYS H H 82 8.691 7.987 0.704 1
1 957 . 5 1 1 A 82 82 LYS CA C 82 56.216 56.831 -0.615 1
1 958 . 5 1 1 A 82 82 LYS HA H 82 4.441 4.460 -0.019 1
1 959 . 5 1 1 A 82 82 LYS CB C 82 32.964 34.381 -1.417 1
1 971 . 5 1 1 A 82 82 LYS C C 82 177.543 177.100 0.443 1
1 972 . 5 1 1 A 83 83 VAL N N 83 117.873 117.272 0.601 1
1 973 . 5 1 1 A 83 83 VAL H H 83 7.786 8.008 -0.222 1
1 974 . 5 1 1 A 83 83 VAL CA C 83 64.939 63.953 0.986 1
1 975 . 5 1 1 A 83 83 VAL HA H 83 4.235 4.207 0.028 1
1 976 . 5 1 1 A 83 83 VAL CB C 83 34.046 32.547 1.499 1
1 986 . 5 1 1 A 83 83 VAL C C 83 176.945 177.798 -0.853 1
1 987 . 5 1 1 A 84 84 LEU N N 84 118.163 120.320 -2.157 1
1 988 . 5 1 1 A 84 84 LEU H H 84 9.200 8.313 0.887 1
1 989 . 5 1 1 A 84 84 LEU CA C 84 58.824 58.266 0.558 1
1 990 . 5 1 1 A 84 84 LEU HA H 84 3.898 3.946 -0.048 1
1 991 . 5 1 1 A 84 84 LEU CB C 84 38.418 41.758 -3.340 1
1 1004 . 5 1 1 A 84 84 LEU C C 84 179.874 178.985 0.889 1
1 1005 . 5 1 1 A 85 85 LYS N N 85 117.114 118.742 -1.628 1
1 1006 . 5 1 1 A 85 85 LYS H H 85 7.303 8.125 -0.822 1
1 1007 . 5 1 1 A 85 85 LYS CA C 85 59.436 59.861 -0.425 1
1 1008 . 5 1 1 A 85 85 LYS HA H 85 4.191 3.984 0.207 1
1 1009 . 5 1 1 A 85 85 LYS CB C 85 33.096 32.495 0.601 1
1 1021 . 5 1 1 A 85 85 LYS C C 85 180.286 178.985 1.301 1
1 1022 . 5 1 1 A 86 86 ARG N N 86 117.181 119.424 -2.243 1
1 1023 . 5 1 1 A 86 86 ARG H H 86 7.216 8.130 -0.914 1
1 1024 . 5 1 1 A 86 86 ARG CA C 86 57.924 58.999 -1.075 1
1 1025 . 5 1 1 A 86 86 ARG HA H 86 4.191 4.102 0.089 1
1 1026 . 5 1 1 A 86 86 ARG CB C 86 29.848 30.058 -0.210 1
1 1035 . 5 1 1 A 86 86 ARG C C 86 177.047 178.130 -1.083 1
1 1036 . 5 1 1 A 87 87 LEU N N 87 118.282 117.911 0.371 1
1 1037 . 5 1 1 A 87 87 LEU H H 87 7.584 8.134 -0.550 1
1 1038 . 5 1 1 A 87 87 LEU CA C 87 53.603 54.625 -1.022 1
1 1039 . 5 1 1 A 87 87 LEU HA H 87 4.339 4.386 -0.047 1
1 1040 . 5 1 1 A 87 87 LEU CB C 87 42.059 41.890 0.169 1
1 1053 . 5 1 1 A 87 87 LEU C C 87 175.182 176.188 -1.006 1
1 1054 . 5 1 1 A 88 88 ASN N N 88 115.016 117.001 -1.985 1
1 1055 . 5 1 1 A 88 88 ASN H H 88 7.932 7.930 0.002 1
1 1056 . 5 1 1 A 88 88 ASN CA C 88 54.081 54.145 -0.064 1
1 1057 . 5 1 1 A 88 88 ASN HA H 88 4.384 4.400 -0.016 1
1 1058 . 5 1 1 A 88 88 ASN CB C 88 36.809 37.361 -0.552 1
1 1064 . 5 1 1 A 88 88 ASN C C 88 173.426 174.544 -1.118 1
1 1065 . 5 1 1 A 89 89 PHE N N 89 119.795 118.740 1.055 1
1 1066 . 5 1 1 A 89 89 PHE H H 89 7.739 7.923 -0.184 1
1 1067 . 5 1 1 A 89 89 PHE CA C 89 56.231 57.123 -0.892 1
1 1068 . 5 1 1 A 89 89 PHE HA H 89 4.887 4.892 -0.005 1
1 1069 . 5 1 1 A 89 89 PHE CB C 89 43.188 42.485 0.703 1
1 1082 . 5 1 1 A 89 89 PHE C C 89 172.386 173.788 -1.402 1
1 1083 . 5 1 1 A 90 90 SER N N 90 117.020 122.718 -5.698 1
1 1084 . 5 1 1 A 90 90 SER H H 90 7.301 8.102 -0.801 1
1 1085 . 5 1 1 A 90 90 SER CA C 90 56.762 57.204 -0.442 1
1 1086 . 5 1 1 A 90 90 SER HA H 90 4.667 5.492 -0.825 1
1 1087 . 5 1 1 A 90 90 SER CB C 90 64.885 65.922 -1.037 1
1 1090 . 5 1 1 A 90 90 SER C C 90 172.726 173.192 -0.466 1
1 1091 . 5 1 1 A 91 91 VAL N N 91 126.604 122.804 3.800 1
1 1092 . 5 1 1 A 91 91 VAL H H 91 8.959 8.974 -0.015 1
1 1093 . 5 1 1 A 91 91 VAL CA C 91 59.173 58.979 0.194 1
1 1094 . 5 1 1 A 91 91 VAL HA H 91 4.336 4.620 -0.284 1
1 1095 . 5 1 1 A 91 91 VAL CB C 91 33.703 35.843 -2.140 1
1 1105 . 5 1 1 A 91 91 VAL C C 91 173.886 173.553 0.333 1
1 1106 . 5 1 1 A 92 92 PRO CA C 92 62.618 62.724 -0.106 1
1 1107 . 5 1 1 A 92 92 PRO HA H 92 4.481 4.627 -0.146 1
1 1108 . 5 1 1 A 92 92 PRO CB C 92 33.302 32.991 0.311 1
1 1117 . 5 1 1 A 92 92 PRO C C 92 177.410 176.754 0.656 1
1 1118 . 5 1 1 A 93 93 ASP N N 93 123.319 123.673 -0.354 1
1 1119 . 5 1 1 A 93 93 ASP H H 93 8.854 9.051 -0.197 1
1 1120 . 5 1 1 A 93 93 ASP CA C 93 58.347 56.578 1.769 1
1 1121 . 5 1 1 A 93 93 ASP HA H 93 4.298 4.368 -0.070 1
1 1122 . 5 1 1 A 93 93 ASP CB C 93 40.916 40.589 0.327 1
1 1125 . 5 1 1 A 93 93 ASP C C 93 178.221 177.656 0.565 1
1 1126 . 5 1 1 A 94 94 ASP N N 94 116.740 118.726 -1.986 1
1 1127 . 5 1 1 A 94 94 ASP H H 94 8.955 7.895 1.060 1
1 1128 . 5 1 1 A 94 94 ASP CA C 94 56.851 57.150 -0.299 1
1 1129 . 5 1 1 A 94 94 ASP HA H 94 4.222 4.400 -0.178 1
1 1130 . 5 1 1 A 94 94 ASP CB C 94 39.733 41.152 -1.419 1
1 1133 . 5 1 1 A 94 94 ASP C C 94 178.344 178.846 -0.502 1
1 1134 . 5 1 1 A 95 95 VAL N N 95 121.559 119.907 1.652 1
1 1135 . 5 1 1 A 95 95 VAL H H 95 6.935 8.084 -1.149 1
1 1136 . 5 1 1 A 95 95 VAL CA C 95 66.007 66.460 -0.453 1
1 1137 . 5 1 1 A 95 95 VAL HA H 95 3.378 3.539 -0.161 1
1 1138 . 5 1 1 A 95 95 VAL CB C 95 31.712 31.446 0.266 1
1 1148 . 5 1 1 A 95 95 VAL C C 95 177.153 178.193 -1.040 1
1 1149 . 5 1 1 A 96 96 MET N N 96 118.492 117.851 0.641 1
1 1150 . 5 1 1 A 96 96 MET H H 96 7.993 7.665 0.328 1
1 1151 . 5 1 1 A 96 96 MET CA C 96 60.318 58.713 1.605 1
1 1152 . 5 1 1 A 96 96 MET HA H 96 3.037 3.844 -0.807 1
1 1153 . 5 1 1 A 96 96 MET CB C 96 33.348 32.899 0.449 1
1 1163 . 5 1 1 A 96 96 MET C C 96 176.993 178.876 -1.883 1
1 1164 . 5 1 1 A 97 97 ARG N N 97 116.593 118.905 -2.312 1
1 1165 . 5 1 1 A 97 97 ARG H H 97 7.668 7.583 0.085 1
1 1166 . 5 1 1 A 97 97 ARG CA C 97 60.372 59.838 0.534 1
1 1167 . 5 1 1 A 97 97 ARG HA H 97 3.772 3.923 -0.151 1
1 1168 . 5 1 1 A 97 97 ARG CB C 97 29.627 29.931 -0.304 1
1 1177 . 5 1 1 A 97 97 ARG C C 97 177.718 178.867 -1.149 1
1 1178 . 5 1 1 A 98 98 LYS N N 98 118.000 119.223 -1.223 1
1 1179 . 5 1 1 A 98 98 LYS H H 98 7.279 7.418 -0.139 1
1 1180 . 5 1 1 A 98 98 LYS CA C 98 59.942 59.212 0.730 1
1 1181 . 5 1 1 A 98 98 LYS HA H 98 4.035 3.952 0.083 1
1 1182 . 5 1 1 A 98 98 LYS CB C 98 33.307 32.226 1.081 1
1 1194 . 5 1 1 A 98 98 LYS C C 98 178.861 178.906 -0.045 1
1 1195 . 5 1 1 A 99 99 ILE N N 99 119.736 120.316 -0.580 1
1 1196 . 5 1 1 A 99 99 ILE H H 99 8.298 7.574 0.724 1
1 1197 . 5 1 1 A 99 99 ILE CA C 99 65.451 65.309 0.142 1
1 1198 . 5 1 1 A 99 99 ILE HA H 99 3.473 3.565 -0.092 1
1 1199 . 5 1 1 A 99 99 ILE CB C 99 38.088 37.315 0.773 1
1 1212 . 5 1 1 A 99 99 ILE C C 99 181.472 177.993 3.479 1
1 1213 . 5 1 1 A 100 100 ALA N N 100 124.832 121.162 3.670 1
1 1214 . 5 1 1 A 100 100 ALA H H 100 8.473 7.840 0.633 1
1 1215 . 5 1 1 A 100 100 ALA CA C 100 54.623 54.354 0.269 1
1 1216 . 5 1 1 A 100 100 ALA HA H 100 4.481 4.122 0.359 1
1 1217 . 5 1 1 A 100 100 ALA CB C 100 19.106 18.144 0.962 1
1 1221 . 5 1 1 A 100 100 ALA C C 100 177.755 178.977 -1.222 1
1 1222 . 5 1 1 A 101 101 GLN N N 101 113.891 114.782 -0.891 1
1 1223 . 5 1 1 A 101 101 GLN H H 101 7.665 7.700 -0.035 1
1 1224 . 5 1 1 A 101 101 GLN CA C 101 55.681 55.315 0.366 1
1 1225 . 5 1 1 A 101 101 GLN HA H 101 4.378 4.443 -0.065 1
1 1226 . 5 1 1 A 101 101 GLN CB C 101 28.879 28.573 0.306 1
1 1235 . 5 1 1 A 101 101 GLN C C 101 175.604 174.625 0.979 1
1 1236 . 5 1 1 A 102 102 CYS N N 102 114.274 116.030 -1.756 1
1 1237 . 5 1 1 A 102 102 CYS H H 102 8.300 7.971 0.329 1
1 1238 . 5 1 1 A 102 102 CYS CA C 102 58.700 60.415 -1.715 1
1 1239 . 5 1 1 A 102 102 CYS HA H 102 4.030 4.160 -0.130 1
1 1240 . 5 1 1 A 102 102 CYS CB C 102 24.987 26.259 -1.272 1
1 1243 . 5 1 1 A 102 102 CYS C C 102 174.186 173.668 0.518 1
1 1244 . 5 1 1 A 103 103 ALA N N 103 123.512 122.115 1.397 1
1 1245 . 5 1 1 A 103 103 ALA H H 103 8.175 7.958 0.217 1
1 1246 . 5 1 1 A 103 103 ALA CA C 103 50.841 49.202 1.639 1
1 1247 . 5 1 1 A 103 103 ALA HA H 103 4.458 4.569 -0.111 1
1 1248 . 5 1 1 A 103 103 ALA CB C 103 18.353 20.126 -1.773 1
1 1252 . 5 1 1 A 103 103 ALA C C 103 175.904 176.191 -0.287 1
1 1253 . 5 1 1 A 104 104 PRO CA C 104 64.290 63.768 0.522 1
1 1254 . 5 1 1 A 104 104 PRO HA H 104 4.315 4.313 0.002 1
1 1255 . 5 1 1 A 104 104 PRO CB C 104 32.028 31.338 0.690 1
1 1264 . 5 1 1 A 104 104 PRO C C 104 178.173 177.470 0.703 1
1 1265 . 5 1 1 A 105 105 GLY N N 105 113.466 111.980 1.486 1
1 1266 . 5 1 1 A 105 105 GLY H H 105 9.036 8.815 0.221 1
1 1267 . 5 1 1 A 105 105 GLY CA C 105 45.935 45.619 0.316 1
1 1268 . 5 1 1 A 105 105 GLY HA2 H 105 4.044 3.919 0.125 1
1 1269 . 5 1 1 A 105 105 GLY HA3 H 105 3.832 3.929 -0.097 1
1 1270 . 5 1 1 A 105 105 GLY C C 105 174.928 175.956 -1.028 1
1 1271 . 5 1 1 A 106 106 VAL N N 106 117.991 121.197 -3.206 1
1 1272 . 5 1 1 A 106 106 VAL H H 106 6.964 8.166 -1.202 1
1 1273 . 5 1 1 A 106 106 VAL CA C 106 66.071 66.254 -0.183 1
1 1274 . 5 1 1 A 106 106 VAL HA H 106 3.842 3.641 0.201 1
1 1275 . 5 1 1 A 106 106 VAL CB C 106 31.337 31.536 -0.199 1
1 1285 . 5 1 1 A 106 106 VAL C C 106 178.061 177.523 0.538 1
1 1286 . 5 1 1 A 107 107 VAL N N 107 121.474 120.532 0.942 1
1 1287 . 5 1 1 A 107 107 VAL H H 107 9.039 8.087 0.952 1
1 1288 . 5 1 1 A 107 107 VAL CA C 107 65.971 65.294 0.677 1
1 1289 . 5 1 1 A 107 107 VAL HA H 107 3.743 3.627 0.116 1
1 1290 . 5 1 1 A 107 107 VAL CB C 107 30.959 31.140 -0.181 1
1 1300 . 5 1 1 A 107 107 VAL C C 107 177.629 177.857 -0.228 1
1 1301 . 5 1 1 A 108 108 GLU N N 108 126.242 121.213 5.029 1
1 1302 . 5 1 1 A 108 108 GLU H H 108 11.107 8.272 2.835 1
1 1303 . 5 1 1 A 108 108 GLU CA C 108 62.429 59.368 3.061 1
1 1304 . 5 1 1 A 108 108 GLU HA H 108 3.584 3.982 -0.398 1
1 1305 . 5 1 1 A 108 108 GLU CB C 108 28.863 29.407 -0.544 1
1 1311 . 5 1 1 A 108 108 GLU C C 108 176.878 179.086 -2.208 1
1 1312 . 5 1 1 A 109 109 LEU N N 109 114.111 119.855 -5.744 1
1 1313 . 5 1 1 A 109 109 LEU H H 109 7.474 8.183 -0.709 1
1 1314 . 5 1 1 A 109 109 LEU CA C 109 56.293 57.668 -1.375 1
1 1315 . 5 1 1 A 109 109 LEU HA H 109 4.024 4.051 -0.027 1
1 1316 . 5 1 1 A 109 109 LEU CB C 109 40.846 41.599 -0.753 1
1 1329 . 5 1 1 A 109 109 LEU C C 109 178.647 178.350 0.297 1
1 1330 . 5 1 1 A 110 110 VAL N N 110 116.984 118.311 -1.327 1
1 1331 . 5 1 1 A 110 110 VAL H H 110 7.557 7.680 -0.123 1
1 1332 . 5 1 1 A 110 110 VAL CA C 110 64.274 64.966 -0.692 1
1 1333 . 5 1 1 A 110 110 VAL HA H 110 4.206 4.024 0.182 1
1 1334 . 5 1 1 A 110 110 VAL CB C 110 33.070 32.093 0.977 1
1 1344 . 5 1 1 A 110 110 VAL C C 110 176.435 177.994 -1.559 1
1 1345 . 5 1 1 A 111 111 LEU N N 111 118.461 121.223 -2.762 1
1 1346 . 5 1 1 A 111 111 LEU H H 111 8.453 8.080 0.373 1
1 1347 . 5 1 1 A 111 111 LEU CA C 111 58.047 57.508 0.539 1
1 1348 . 5 1 1 A 111 111 LEU HA H 111 4.003 4.096 -0.093 1
1 1349 . 5 1 1 A 111 111 LEU CB C 111 43.552 41.645 1.907 1
1 1362 . 5 1 1 A 111 111 LEU C C 111 177.274 179.283 -2.009 1
1 1363 . 5 1 1 A 112 112 ILE N N 112 115.835 120.669 -4.834 1
1 1364 . 5 1 1 A 112 112 ILE H H 112 7.850 7.669 0.181 1
1 1365 . 5 1 1 A 112 112 ILE CA C 112 67.843 66.169 1.674 1
1 1366 . 5 1 1 A 112 112 ILE HA H 112 3.636 3.666 -0.030 1
1 1367 . 5 1 1 A 112 112 ILE CB C 112 36.504 35.079 1.425 1
1 1380 . 5 1 1 A 112 112 ILE C C 112 176.487 175.206 1.281 1
1 1381 . 5 1 1 A 113 113 PRO CA C 113 64.872 65.541 -0.669 1
1 1382 . 5 1 1 A 113 113 PRO HA H 113 4.420 4.333 0.087 1
1 1383 . 5 1 1 A 113 113 PRO CB C 113 30.348 30.735 -0.387 1
1 1392 . 5 1 1 A 113 113 PRO C C 113 179.001 178.783 0.218 1
1 1393 . 5 1 1 A 114 114 LEU N N 114 120.690 117.931 2.759 1
1 1394 . 5 1 1 A 114 114 LEU H H 114 7.672 7.357 0.315 1
1 1395 . 5 1 1 A 114 114 LEU CA C 114 58.337 57.739 0.598 1
1 1396 . 5 1 1 A 114 114 LEU HA H 114 3.490 3.888 -0.398 1
1 1397 . 5 1 1 A 114 114 LEU CB C 114 41.840 41.748 0.092 1
1 1410 . 5 1 1 A 114 114 LEU C C 114 177.486 178.064 -0.578 1
1 1411 . 5 1 1 A 115 115 ARG N N 115 119.039 117.725 1.314 1
1 1412 . 5 1 1 A 115 115 ARG H H 115 8.159 7.730 0.429 1
1 1413 . 5 1 1 A 115 115 ARG CA C 115 60.199 58.880 1.319 1
1 1414 . 5 1 1 A 115 115 ARG HA H 115 3.215 3.836 -0.621 1
1 1415 . 5 1 1 A 115 115 ARG CB C 115 28.049 29.649 -1.600 1
1 1426 . 5 1 1 A 115 115 ARG C C 115 177.460 178.304 -0.844 1
1 1427 . 5 1 1 A 116 116 GLN N N 116 115.221 118.826 -3.605 1
1 1428 . 5 1 1 A 116 116 GLN H H 116 6.825 7.758 -0.933 1
1 1429 . 5 1 1 A 116 116 GLN CA C 116 58.838 58.803 0.035 1
1 1430 . 5 1 1 A 116 116 GLN HA H 116 3.830 3.902 -0.072 1
1 1431 . 5 1 1 A 116 116 GLN CB C 116 27.871 28.269 -0.398 1
1 1440 . 5 1 1 A 116 116 GLN C C 116 178.648 178.789 -0.141 1
1 1441 . 5 1 1 A 117 117 ARG N N 117 118.476 119.562 -1.086 1
1 1442 . 5 1 1 A 117 117 ARG H H 117 8.028 7.751 0.277 1
1 1443 . 5 1 1 A 117 117 ARG CA C 117 57.607 59.056 -1.449 1
1 1444 . 5 1 1 A 117 117 ARG HA H 117 4.117 4.106 0.011 1
1 1445 . 5 1 1 A 117 117 ARG CB C 117 30.040 30.398 -0.358 1
1 1454 . 5 1 1 A 117 117 ARG C C 117 179.370 178.757 0.613 1
1 1455 . 5 1 1 A 118 118 LEU N N 118 120.407 119.426 0.981 1
1 1456 . 5 1 1 A 118 118 LEU H H 118 8.533 7.898 0.635 1
1 1457 . 5 1 1 A 118 118 LEU CA C 118 58.295 57.679 0.616 1
1 1458 . 5 1 1 A 118 118 LEU HA H 118 3.950 3.929 0.021 1
1 1459 . 5 1 1 A 118 118 LEU CB C 118 40.472 40.362 0.110 1
1 1472 . 5 1 1 A 118 118 LEU C C 118 178.577 179.519 -0.942 1
1 1473 . 5 1 1 A 119 119 GLU N N 119 116.858 119.302 -2.444 1
1 1474 . 5 1 1 A 119 119 GLU H H 119 8.220 8.425 -0.205 1
1 1475 . 5 1 1 A 119 119 GLU CA C 119 59.441 59.631 -0.190 1
1 1476 . 5 1 1 A 119 119 GLU HA H 119 4.047 4.498 -0.451 1
1 1477 . 5 1 1 A 119 119 GLU CB C 119 29.271 29.258 0.013 1
1 1483 . 5 1 1 A 119 119 GLU C C 119 179.631 177.645 1.986 1
1 1484 . 5 1 1 A 120 120 GLU N N 120 119.797 119.495 0.302 1
1 1485 . 5 1 1 A 120 120 GLU H H 120 8.199 7.982 0.217 1
1 1486 . 5 1 1 A 120 120 GLU CA C 120 59.223 58.764 0.459 1
1 1487 . 5 1 1 A 120 120 GLU HA H 120 4.062 4.223 -0.161 1
1 1488 . 5 1 1 A 120 120 GLU CB C 120 29.562 29.753 -0.191 1
1 1494 . 5 1 1 A 120 120 GLU C C 120 178.823 178.875 -0.052 1
1 1495 . 5 1 1 A 121 121 ARG N N 121 118.760 119.382 -0.622 1
1 1496 . 5 1 1 A 121 121 ARG H H 121 7.928 7.791 0.137 1
1 1497 . 5 1 1 A 121 121 ARG CA C 121 58.065 58.726 -0.661 1
1 1498 . 5 1 1 A 121 121 ARG HA H 121 4.136 4.181 -0.045 1
1 1499 . 5 1 1 A 121 121 ARG CB C 121 29.478 30.663 -1.185 1
1 1508 . 5 1 1 A 121 121 ARG C C 121 178.426 179.306 -0.880 1
1 1509 . 5 1 1 A 122 122 GLN N N 122 119.430 117.753 1.677 1
1 1510 . 5 1 1 A 122 122 GLN H H 122 8.323 8.510 -0.187 1
1 1511 . 5 1 1 A 122 122 GLN CA C 122 58.489 58.721 -0.232 1
1 1512 . 5 1 1 A 122 122 GLN HA H 122 4.352 4.106 0.246 1
1 1513 . 5 1 1 A 122 122 GLN CB C 122 29.611 28.322 1.289 1
1 1522 . 5 1 1 A 122 122 GLN C C 122 177.291 177.686 -0.395 1
1 1523 . 5 1 1 A 123 123 ARG N N 123 118.341 118.738 -0.397 1
1 1524 . 5 1 1 A 123 123 ARG H H 123 7.920 8.406 -0.486 1
1 1525 . 5 1 1 A 123 123 ARG CA C 123 57.695 59.111 -1.416 1
1 1526 . 5 1 1 A 123 123 ARG HA H 123 4.266 4.157 0.109 1
1 1527 . 5 1 1 A 123 123 ARG CB C 123 30.671 29.889 0.782 1
1 1536 . 5 1 1 A 123 123 ARG C C 123 177.214 176.839 0.375 1
1 1537 . 5 1 1 A 124 124 ARG N N 124 119.452 120.071 -0.619 1
1 1538 . 5 1 1 A 124 124 ARG H H 124 7.850 8.172 -0.322 1
1 1539 . 5 1 1 A 124 124 ARG CA C 124 56.814 56.064 0.750 1
1 1540 . 5 1 1 A 124 124 ARG HA H 124 4.300 4.344 -0.044 1
1 1541 . 5 1 1 A 124 124 ARG CB C 124 30.672 30.767 -0.095 1
1 1550 . 5 1 1 A 124 124 ARG C C 124 176.540 175.631 0.909 1
1 1551 . 5 1 1 A 125 125 ARG N N 125 120.963 125.130 -4.167 1
1 1552 . 5 1 1 A 125 125 ARG H H 125 8.081 8.784 -0.703 1
1 1553 . 5 1 1 A 125 125 ARG CA C 125 56.514 55.983 0.531 1
1 1554 . 5 1 1 A 125 125 ARG HA H 125 4.355 4.730 -0.375 1
1 1555 . 5 1 1 A 125 125 ARG CB C 125 30.694 31.104 -0.410 1
1 1564 . 5 1 1 A 125 125 ARG C C 125 176.133 175.405 0.728 1
1 1565 . 5 1 1 A 126 126 LYS N N 126 122.811 124.467 -1.656 1
1 1566 . 5 1 1 A 126 126 LYS H H 126 8.252 8.551 -0.299 1
1 1567 . 5 1 1 A 126 126 LYS CA C 126 56.430 54.708 1.722 1
1 1568 . 5 1 1 A 126 126 LYS HA H 126 4.351 4.810 -0.459 1
1 1569 . 5 1 1 A 126 126 LYS CB C 126 33.017 35.416 -2.399 1
1 1581 . 5 1 1 A 126 126 LYS C C 126 175.649 176.396 -0.747 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.715 57.670 1.045 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.472 5.204 -0.732 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.934 65.694 -1.760 1
1 6 . 6 1 1 A 6 6 SER C C 6 174.927 173.378 1.549 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.435 113.288 -2.853 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.348 8.724 -0.376 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.364 45.881 -0.517 1
1 10 . 6 1 1 A 7 7 GLY HA2 H 7 3.919 4.208 -0.289 1
1 11 . 6 1 1 A 7 7 GLY HA3 H 7 3.919 4.208 -0.289 1
1 12 . 6 1 1 A 7 7 GLY C C 7 173.952 172.400 1.552 1
1 13 . 6 1 1 A 8 8 MET N N 8 119.481 122.482 -3.001 1
1 14 . 6 1 1 A 8 8 MET H H 8 8.163 8.731 -0.568 1
1 15 . 6 1 1 A 8 8 MET CA C 8 55.472 54.638 0.834 1
1 16 . 6 1 1 A 8 8 MET HA H 8 4.486 5.048 -0.562 1
1 17 . 6 1 1 A 8 8 MET CB C 8 33.598 35.783 -2.185 1
1 27 . 6 1 1 A 8 8 MET C C 8 176.019 174.656 1.363 1
1 28 . 6 1 1 A 9 9 ALA N N 9 125.433 127.210 -1.777 1
1 29 . 6 1 1 A 9 9 ALA H H 9 8.436 8.454 -0.018 1
1 30 . 6 1 1 A 9 9 ALA CA C 9 52.481 52.584 -0.103 1
1 31 . 6 1 1 A 9 9 ALA HA H 9 4.381 4.313 0.068 1
1 32 . 6 1 1 A 9 9 ALA CB C 9 19.322 18.032 1.290 1
1 36 . 6 1 1 A 9 9 ALA C C 9 177.349 177.136 0.213 1
1 37 . 6 1 1 A 10 10 SER N N 10 114.383 118.797 -4.414 1
1 38 . 6 1 1 A 10 10 SER H H 10 8.372 8.411 -0.039 1
1 39 . 6 1 1 A 10 10 SER CA C 10 58.607 57.534 1.073 1
1 40 . 6 1 1 A 10 10 SER HA H 10 4.470 4.880 -0.410 1
1 41 . 6 1 1 A 10 10 SER CB C 10 63.979 66.898 -2.919 1
1 44 . 6 1 1 A 10 10 SER C C 10 174.323 173.637 0.686 1
1 45 . 6 1 1 A 11 11 SER N N 11 116.549 117.006 -0.457 1
1 46 . 6 1 1 A 11 11 SER H H 11 8.111 8.652 -0.541 1
1 47 . 6 1 1 A 11 11 SER CA C 11 58.189 58.155 0.034 1
1 48 . 6 1 1 A 11 11 SER HA H 11 4.487 4.407 0.080 1
1 49 . 6 1 1 A 11 11 SER CB C 11 64.081 65.073 -0.992 1
1 52 . 6 1 1 A 11 11 SER C C 11 173.692 173.943 -0.251 1
1 53 . 6 1 1 A 12 12 VAL N N 12 120.502 121.257 -0.755 1
1 54 . 6 1 1 A 12 12 VAL H H 12 8.207 8.238 -0.031 1
1 55 . 6 1 1 A 12 12 VAL CA C 12 61.847 63.444 -1.597 1
1 56 . 6 1 1 A 12 12 VAL HA H 12 4.150 3.931 0.219 1
1 57 . 6 1 1 A 12 12 VAL CB C 12 33.269 31.751 1.518 1
1 67 . 6 1 1 A 12 12 VAL C C 12 174.930 175.794 -0.864 1
1 68 . 6 1 1 A 13 13 ASP N N 13 124.104 126.571 -2.467 1
1 69 . 6 1 1 A 13 13 ASP H H 13 7.953 8.941 -0.988 1
1 70 . 6 1 1 A 13 13 ASP CA C 13 53.249 53.641 -0.392 1
1 71 . 6 1 1 A 13 13 ASP HA H 13 4.661 4.799 -0.138 1
1 72 . 6 1 1 A 13 13 ASP CB C 13 41.891 41.597 0.294 1
1 75 . 6 1 1 A 13 13 ASP C C 13 176.009 177.507 -1.498 1
1 76 . 6 1 1 A 14 14 GLU N N 14 120.197 121.682 -1.485 1
1 77 . 6 1 1 A 14 14 GLU H H 14 8.568 8.927 -0.359 1
1 78 . 6 1 1 A 14 14 GLU CA C 14 59.932 59.200 0.732 1
1 79 . 6 1 1 A 14 14 GLU HA H 14 3.944 4.091 -0.147 1
1 80 . 6 1 1 A 14 14 GLU CB C 14 29.670 29.155 0.515 1
1 86 . 6 1 1 A 14 14 GLU C C 14 178.863 178.754 0.109 1
1 87 . 6 1 1 A 15 15 GLU N N 15 120.713 119.204 1.509 1
1 88 . 6 1 1 A 15 15 GLU H H 15 8.312 8.341 -0.029 1
1 89 . 6 1 1 A 15 15 GLU CA C 15 59.101 59.399 -0.298 1
1 90 . 6 1 1 A 15 15 GLU HA H 15 4.244 4.061 0.183 1
1 91 . 6 1 1 A 15 15 GLU CB C 15 28.917 29.358 -0.441 1
1 97 . 6 1 1 A 15 15 GLU C C 15 178.511 178.972 -0.461 1
1 98 . 6 1 1 A 16 16 ALA N N 16 123.041 122.331 0.710 1
1 99 . 6 1 1 A 16 16 ALA H H 16 8.047 7.663 0.384 1
1 100 . 6 1 1 A 16 16 ALA CA C 16 54.830 55.277 -0.447 1
1 101 . 6 1 1 A 16 16 ALA HA H 16 4.093 4.121 -0.028 1
1 102 . 6 1 1 A 16 16 ALA CB C 16 18.371 18.087 0.284 1
1 106 . 6 1 1 A 16 16 ALA C C 16 181.428 180.214 1.214 1
1 107 . 6 1 1 A 17 17 LEU N N 17 119.436 118.439 0.997 1
1 108 . 6 1 1 A 17 17 LEU H H 17 8.042 7.834 0.208 1
1 109 . 6 1 1 A 17 17 LEU CA C 17 57.623 58.014 -0.391 1
1 110 . 6 1 1 A 17 17 LEU HA H 17 3.838 3.963 -0.125 1
1 111 . 6 1 1 A 17 17 LEU CB C 17 41.323 41.931 -0.608 1
1 124 . 6 1 1 A 17 17 LEU C C 17 177.590 178.711 -1.121 1
1 125 . 6 1 1 A 18 18 HIS N N 18 118.394 117.891 0.503 1
1 126 . 6 1 1 A 18 18 HIS H H 18 8.182 7.962 0.220 1
1 127 . 6 1 1 A 18 18 HIS CA C 18 59.415 60.171 -0.756 1
1 128 . 6 1 1 A 18 18 HIS HA H 18 4.435 3.922 0.513 1
1 129 . 6 1 1 A 18 18 HIS CB C 18 29.560 29.523 0.037 1
1 136 . 6 1 1 A 18 18 HIS C C 18 178.114 176.809 1.305 1
1 137 . 6 1 1 A 19 19 GLN N N 19 115.623 117.580 -1.957 1
1 138 . 6 1 1 A 19 19 GLN H H 19 8.178 8.095 0.083 1
1 139 . 6 1 1 A 19 19 GLN CA C 19 58.406 58.879 -0.473 1
1 140 . 6 1 1 A 19 19 GLN HA H 19 3.904 4.001 -0.097 1
1 141 . 6 1 1 A 19 19 GLN CB C 19 28.118 28.453 -0.335 1
1 150 . 6 1 1 A 19 19 GLN C C 19 179.132 178.230 0.902 1
1 151 . 6 1 1 A 20 20 LEU N N 20 122.817 121.316 1.501 1
1 152 . 6 1 1 A 20 20 LEU H H 20 7.949 7.957 -0.008 1
1 153 . 6 1 1 A 20 20 LEU CA C 20 58.278 57.640 0.638 1
1 154 . 6 1 1 A 20 20 LEU HA H 20 4.233 4.214 0.019 1
1 155 . 6 1 1 A 20 20 LEU CB C 20 40.850 41.785 -0.935 1
1 168 . 6 1 1 A 20 20 LEU C C 20 178.466 178.361 0.105 1
1 169 . 6 1 1 A 21 21 TYR N N 21 118.825 119.068 -0.243 1
1 170 . 6 1 1 A 21 21 TYR H H 21 8.376 8.416 -0.040 1
1 171 . 6 1 1 A 21 21 TYR CA C 21 60.605 61.442 -0.837 1
1 172 . 6 1 1 A 21 21 TYR HA H 21 4.286 4.236 0.050 1
1 173 . 6 1 1 A 21 21 TYR CB C 21 36.667 37.674 -1.007 1
1 184 . 6 1 1 A 21 21 TYR C C 21 178.654 178.397 0.257 1
1 185 . 6 1 1 A 22 22 LEU N N 22 118.954 120.854 -1.900 1
1 186 . 6 1 1 A 22 22 LEU H H 22 7.869 7.736 0.133 1
1 187 . 6 1 1 A 22 22 LEU CA C 22 57.887 57.431 0.456 1
1 188 . 6 1 1 A 22 22 LEU HA H 22 4.076 4.108 -0.032 1
1 189 . 6 1 1 A 22 22 LEU CB C 22 42.250 41.876 0.374 1
1 202 . 6 1 1 A 22 22 LEU C C 22 178.877 179.013 -0.136 1
1 203 . 6 1 1 A 23 23 TRP N N 23 120.668 119.987 0.681 1
1 204 . 6 1 1 A 23 23 TRP H H 23 7.804 8.006 -0.202 1
1 205 . 6 1 1 A 23 23 TRP CA C 23 60.711 61.179 -0.468 1
1 206 . 6 1 1 A 23 23 TRP HA H 23 4.436 4.179 0.257 1
1 207 . 6 1 1 A 23 23 TRP CB C 23 28.035 29.997 -1.962 1
1 222 . 6 1 1 A 23 23 TRP C C 23 178.471 178.417 0.054 1
1 223 . 6 1 1 A 24 24 VAL N N 24 116.831 119.552 -2.721 1
1 224 . 6 1 1 A 24 24 VAL H H 24 8.503 8.087 0.416 1
1 225 . 6 1 1 A 24 24 VAL CA C 24 66.014 66.268 -0.254 1
1 226 . 6 1 1 A 24 24 VAL HA H 24 3.084 2.982 0.102 1
1 227 . 6 1 1 A 24 24 VAL CB C 24 31.826 31.507 0.319 1
1 237 . 6 1 1 A 24 24 VAL C C 24 178.212 177.157 1.055 1
1 238 . 6 1 1 A 25 25 ASP N N 25 117.894 120.268 -2.374 1
1 239 . 6 1 1 A 25 25 ASP H H 25 8.140 8.389 -0.249 1
1 240 . 6 1 1 A 25 25 ASP CA C 25 57.043 57.656 -0.613 1
1 241 . 6 1 1 A 25 25 ASP HA H 25 4.290 4.186 0.104 1
1 242 . 6 1 1 A 25 25 ASP CB C 25 41.067 41.794 -0.727 1
1 245 . 6 1 1 A 25 25 ASP C C 25 177.163 177.790 -0.627 1
1 246 . 6 1 1 A 26 26 ASN N N 26 114.914 117.608 -2.694 1
1 247 . 6 1 1 A 26 26 ASN H H 26 7.229 7.899 -0.670 1
1 248 . 6 1 1 A 26 26 ASN CA C 26 53.375 56.638 -3.263 1
1 249 . 6 1 1 A 26 26 ASN HA H 26 4.607 4.435 0.172 1
1 250 . 6 1 1 A 26 26 ASN CB C 26 40.048 38.766 1.282 1
1 256 . 6 1 1 A 26 26 ASN C C 26 174.227 175.773 -1.546 1
1 257 . 6 1 1 A 27 27 ILE N N 27 123.268 119.431 3.837 1
1 258 . 6 1 1 A 27 27 ILE H H 27 7.212 7.017 0.195 1
1 259 . 6 1 1 A 27 27 ILE CA C 27 58.327 60.562 -2.235 1
1 260 . 6 1 1 A 27 27 ILE HA H 27 3.628 3.887 -0.259 1
1 261 . 6 1 1 A 27 27 ILE CB C 27 39.403 37.953 1.450 1
1 274 . 6 1 1 A 27 27 ILE C C 27 173.764 174.436 -0.672 1
1 275 . 6 1 1 A 28 28 PRO CA C 28 62.584 62.461 0.123 1
1 276 . 6 1 1 A 28 28 PRO HA H 28 4.354 4.670 -0.316 1
1 277 . 6 1 1 A 28 28 PRO CB C 28 30.056 31.525 -1.469 1
1 286 . 6 1 1 A 28 28 PRO C C 28 175.419 175.862 -0.443 1
1 287 . 6 1 1 A 29 29 LEU N N 29 125.355 125.274 0.081 1
1 288 . 6 1 1 A 29 29 LEU H H 29 8.118 8.532 -0.414 1
1 289 . 6 1 1 A 29 29 LEU CA C 29 53.358 53.481 -0.123 1
1 290 . 6 1 1 A 29 29 LEU HA H 29 4.748 4.775 -0.027 1
1 291 . 6 1 1 A 29 29 LEU CB C 29 45.279 42.587 2.692 1
1 304 . 6 1 1 A 29 29 LEU C C 29 178.577 176.830 1.747 1
1 305 . 6 1 1 A 31 31 ARG CA C 31 53.250 55.335 -2.085 1
1 306 . 6 1 1 A 31 31 ARG HA H 31 4.787 4.385 0.402 1
1 307 . 6 1 1 A 31 31 ARG CB C 31 32.107 30.614 1.493 1
1 316 . 6 1 1 A 32 32 PRO CA C 32 62.865 62.620 0.245 1
1 317 . 6 1 1 A 32 32 PRO HA H 32 4.300 4.749 -0.449 1
1 318 . 6 1 1 A 32 32 PRO CB C 32 32.193 33.222 -1.029 1
1 327 . 6 1 1 A 33 33 LYS CA C 33 56.154 55.333 0.821 1
1 328 . 6 1 1 A 33 33 LYS HA H 33 4.361 4.986 -0.625 1
1 329 . 6 1 1 A 33 33 LYS CB C 33 32.368 35.489 -3.121 1
1 341 . 6 1 1 A 34 34 ARG N N 34 122.768 119.890 2.878 1
1 342 . 6 1 1 A 34 34 ARG H H 34 8.410 8.870 -0.460 1
1 343 . 6 1 1 A 34 34 ARG HA H 34 4.336 4.045 0.291 1
1 344 . 6 1 1 A 34 34 ARG CB C 34 31.894 30.415 1.479 1
1 349 . 6 1 1 A 35 35 ASN CA C 35 53.153 51.824 1.329 1
1 350 . 6 1 1 A 35 35 ASN HA H 35 4.771 5.088 -0.317 1
1 351 . 6 1 1 A 35 35 ASN CB C 35 39.425 41.531 -2.106 1
1 357 . 6 1 1 A 36 36 LEU N N 36 110.943 126.080 -15.137 1
1 358 . 6 1 1 A 36 36 LEU H H 36 8.305 8.536 -0.231 1
1 359 . 6 1 1 A 36 36 LEU CA C 36 60.191 57.383 2.808 1
1 360 . 6 1 1 A 36 36 LEU HA H 36 4.140 4.102 0.038 1
1 361 . 6 1 1 A 36 36 LEU CB C 36 41.876 41.887 -0.011 1
1 374 . 6 1 1 A 37 37 SER CA C 37 61.673 61.190 0.483 1
1 375 . 6 1 1 A 37 37 SER HA H 37 4.080 4.238 -0.158 1
1 376 . 6 1 1 A 37 37 SER CB C 37 62.700 62.997 -0.297 1
1 379 . 6 1 1 A 38 38 ARG N N 38 119.288 121.317 -2.029 1
1 380 . 6 1 1 A 38 38 ARG H H 38 7.773 8.059 -0.286 1
1 381 . 6 1 1 A 38 38 ARG HA H 38 4.587 4.038 0.549 1
1 384 . 6 1 1 A 39 39 ASP N N 39 121.607 118.531 3.076 1
1 385 . 6 1 1 A 39 39 ASP H H 39 9.487 8.044 1.443 1
1 386 . 6 1 1 A 39 39 ASP CA C 39 58.026 56.244 1.782 1
1 387 . 6 1 1 A 39 39 ASP HA H 39 4.518 4.605 -0.087 1
1 388 . 6 1 1 A 39 39 ASP CB C 39 40.039 41.318 -1.279 1
1 391 . 6 1 1 A 40 40 PHE N N 40 115.310 118.273 -2.963 1
1 392 . 6 1 1 A 40 40 PHE H H 40 8.300 8.531 -0.231 1
1 393 . 6 1 1 A 40 40 PHE CA C 40 59.420 60.709 -1.289 1
1 394 . 6 1 1 A 40 40 PHE HA H 40 4.605 4.247 0.358 1
1 395 . 6 1 1 A 40 40 PHE CB C 40 39.030 38.640 0.390 1
1 408 . 6 1 1 A 41 41 SER N N 41 115.417 115.054 0.363 1
1 409 . 6 1 1 A 41 41 SER H H 41 7.441 8.703 -1.262 1
1 410 . 6 1 1 A 41 41 SER CA C 41 62.290 61.652 0.638 1
1 411 . 6 1 1 A 41 41 SER HA H 41 4.341 4.458 -0.117 1
1 412 . 6 1 1 A 41 41 SER CB C 41 64.510 63.148 1.362 1
1 415 . 6 1 1 A 42 42 ASP N N 42 117.563 120.974 -3.411 1
1 416 . 6 1 1 A 42 42 ASP H H 42 8.726 8.457 0.269 1
1 417 . 6 1 1 A 42 42 ASP CA C 42 53.746 54.413 -0.667 1
1 418 . 6 1 1 A 42 42 ASP HA H 42 4.780 5.122 -0.342 1
1 419 . 6 1 1 A 42 42 ASP CB C 42 42.695 41.836 0.859 1
1 422 . 6 1 1 A 42 42 ASP C C 42 176.013 177.032 -1.019 1
1 423 . 6 1 1 A 43 43 GLY N N 43 106.643 110.644 -4.001 1
1 424 . 6 1 1 A 43 43 GLY H H 43 7.388 8.199 -0.811 1
1 425 . 6 1 1 A 43 43 GLY CA C 43 45.230 45.621 -0.391 1
1 426 . 6 1 1 A 43 43 GLY HA2 H 43 3.131 2.612 0.519 1
1 427 . 6 1 1 A 43 43 GLY HA3 H 43 2.588 2.838 -0.250 1
1 428 . 6 1 1 A 43 43 GLY C C 43 173.476 173.740 -0.264 1
1 429 . 6 1 1 A 44 44 VAL N N 44 121.300 116.792 4.508 1
1 430 . 6 1 1 A 44 44 VAL H H 44 7.874 7.491 0.383 1
1 431 . 6 1 1 A 44 44 VAL CA C 44 67.198 64.163 3.035 1
1 432 . 6 1 1 A 44 44 VAL HA H 44 3.018 3.917 -0.899 1
1 433 . 6 1 1 A 44 44 VAL CB C 44 31.139 33.138 -1.999 1
1 443 . 6 1 1 A 44 44 VAL C C 44 177.853 176.847 1.006 1
1 444 . 6 1 1 A 45 45 LEU N N 45 114.495 120.608 -6.113 1
1 445 . 6 1 1 A 45 45 LEU H H 45 8.945 7.981 0.964 1
1 446 . 6 1 1 A 45 45 LEU CA C 45 57.466 57.688 -0.222 1
1 447 . 6 1 1 A 45 45 LEU HA H 45 3.838 3.832 0.006 1
1 448 . 6 1 1 A 45 45 LEU CB C 45 40.503 41.396 -0.893 1
1 461 . 6 1 1 A 45 45 LEU C C 45 179.257 178.335 0.922 1
1 462 . 6 1 1 A 46 46 VAL N N 46 118.354 118.837 -0.483 1
1 463 . 6 1 1 A 46 46 VAL H H 46 7.422 7.636 -0.214 1
1 464 . 6 1 1 A 46 46 VAL CA C 46 67.288 66.501 0.787 1
1 465 . 6 1 1 A 46 46 VAL HA H 46 3.469 3.218 0.251 1
1 466 . 6 1 1 A 46 46 VAL CB C 46 30.173 31.282 -1.109 1
1 476 . 6 1 1 A 46 46 VAL C C 46 176.954 177.641 -0.687 1
1 477 . 6 1 1 A 47 47 ALA N N 47 121.963 121.730 0.233 1
1 478 . 6 1 1 A 47 47 ALA H H 47 7.272 8.019 -0.747 1
1 479 . 6 1 1 A 47 47 ALA CA C 47 55.991 55.455 0.536 1
1 480 . 6 1 1 A 47 47 ALA HA H 47 3.576 3.912 -0.336 1
1 481 . 6 1 1 A 47 47 ALA CB C 47 17.292 18.347 -1.055 1
1 485 . 6 1 1 A 47 47 ALA C C 47 178.880 179.943 -1.063 1
1 486 . 6 1 1 A 48 48 GLU N N 48 116.763 118.342 -1.579 1
1 487 . 6 1 1 A 48 48 GLU H H 48 8.081 8.014 0.067 1
1 488 . 6 1 1 A 48 48 GLU CA C 48 60.605 59.510 1.095 1
1 489 . 6 1 1 A 48 48 GLU HA H 48 3.851 3.915 -0.064 1
1 490 . 6 1 1 A 48 48 GLU CB C 48 30.467 29.146 1.321 1
1 496 . 6 1 1 A 48 48 GLU C C 48 180.175 179.232 0.943 1
1 497 . 6 1 1 A 49 49 VAL N N 49 122.024 119.664 2.360 1
1 498 . 6 1 1 A 49 49 VAL H H 49 8.325 7.720 0.605 1
1 499 . 6 1 1 A 49 49 VAL CA C 49 67.146 66.087 1.059 1
1 500 . 6 1 1 A 49 49 VAL HA H 49 3.530 3.608 -0.078 1
1 501 . 6 1 1 A 49 49 VAL CB C 49 31.543 31.553 -0.010 1
1 511 . 6 1 1 A 49 49 VAL C C 49 177.168 178.669 -1.501 1
1 512 . 6 1 1 A 50 50 ILE N N 50 117.821 120.618 -2.797 1
1 513 . 6 1 1 A 50 50 ILE H H 50 7.947 8.395 -0.448 1
1 514 . 6 1 1 A 50 50 ILE CA C 50 66.217 64.543 1.674 1
1 515 . 6 1 1 A 50 50 ILE HA H 50 3.757 4.019 -0.262 1
1 516 . 6 1 1 A 50 50 ILE CB C 50 37.952 37.400 0.552 1
1 529 . 6 1 1 A 50 50 ILE C C 50 177.890 178.067 -0.177 1
1 530 . 6 1 1 A 51 51 LYS N N 51 121.589 120.950 0.639 1
1 531 . 6 1 1 A 51 51 LYS H H 51 8.790 8.342 0.448 1
1 532 . 6 1 1 A 51 51 LYS CA C 51 58.277 59.721 -1.444 1
1 533 . 6 1 1 A 51 51 LYS HA H 51 3.816 4.166 -0.350 1
1 534 . 6 1 1 A 51 51 LYS CB C 51 32.898 32.261 0.637 1
1 546 . 6 1 1 A 51 51 LYS C C 51 176.668 178.612 -1.944 1
1 547 . 6 1 1 A 52 52 PHE N N 52 117.622 120.151 -2.529 1
1 548 . 6 1 1 A 52 52 PHE H H 52 7.768 7.645 0.123 1
1 549 . 6 1 1 A 52 52 PHE CA C 52 60.585 61.309 -0.724 1
1 550 . 6 1 1 A 52 52 PHE HA H 52 4.090 4.113 -0.023 1
1 551 . 6 1 1 A 52 52 PHE CB C 52 38.775 39.038 -0.263 1
1 564 . 6 1 1 A 52 52 PHE C C 52 176.831 176.866 -0.035 1
1 565 . 6 1 1 A 53 53 TYR N N 53 115.876 116.435 -0.559 1
1 566 . 6 1 1 A 53 53 TYR H H 53 7.346 8.257 -0.911 1
1 567 . 6 1 1 A 53 53 TYR CA C 53 61.264 60.551 0.713 1
1 568 . 6 1 1 A 53 53 TYR HA H 53 3.697 4.082 -0.385 1
1 569 . 6 1 1 A 53 53 TYR CB C 53 41.522 38.908 2.614 1
1 580 . 6 1 1 A 53 53 TYR C C 53 175.972 175.451 0.521 1
1 581 . 6 1 1 A 54 54 PHE N N 54 116.478 116.854 -0.376 1
1 582 . 6 1 1 A 54 54 PHE H H 54 8.877 8.521 0.356 1
1 583 . 6 1 1 A 54 54 PHE CA C 54 55.553 54.972 0.581 1
1 584 . 6 1 1 A 54 54 PHE HA H 54 5.173 5.100 0.073 1
1 585 . 6 1 1 A 54 54 PHE CB C 54 40.841 39.373 1.468 1
1 598 . 6 1 1 A 54 54 PHE C C 54 173.424 174.591 -1.167 1
1 599 . 6 1 1 A 55 55 PRO CA C 55 65.147 64.993 0.154 1
1 600 . 6 1 1 A 55 55 PRO HA H 55 4.591 4.467 0.124 1
1 601 . 6 1 1 A 55 55 PRO CB C 55 32.014 32.146 -0.132 1
1 610 . 6 1 1 A 55 55 PRO C C 55 179.255 179.024 0.231 1
1 611 . 6 1 1 A 56 56 LYS N N 56 113.672 118.221 -4.549 1
1 612 . 6 1 1 A 56 56 LYS H H 56 8.639 8.312 0.327 1
1 613 . 6 1 1 A 56 56 LYS CA C 56 56.918 59.520 -2.602 1
1 614 . 6 1 1 A 56 56 LYS HA H 56 4.384 4.056 0.328 1
1 615 . 6 1 1 A 56 56 LYS CB C 56 31.868 32.146 -0.278 1
1 627 . 6 1 1 A 56 56 LYS C C 56 178.220 179.839 -1.619 1
1 628 . 6 1 1 A 57 57 MET N N 57 116.692 119.462 -2.770 1
1 629 . 6 1 1 A 57 57 MET H H 57 8.099 8.266 -0.167 1
1 630 . 6 1 1 A 57 57 MET CA C 57 57.537 58.758 -1.221 1
1 631 . 6 1 1 A 57 57 MET HA H 57 4.260 4.179 0.081 1
1 632 . 6 1 1 A 57 57 MET CB C 57 35.400 32.320 3.080 1
1 642 . 6 1 1 A 57 57 MET C C 57 174.856 177.214 -2.358 1
1 643 . 6 1 1 A 58 58 VAL N N 58 114.727 119.171 -4.444 1
1 644 . 6 1 1 A 58 58 VAL H H 58 6.872 7.405 -0.533 1
1 645 . 6 1 1 A 58 58 VAL CA C 58 60.834 62.727 -1.893 1
1 646 . 6 1 1 A 58 58 VAL HA H 58 4.421 4.150 0.271 1
1 647 . 6 1 1 A 58 58 VAL CB C 58 36.223 32.294 3.929 1
1 657 . 6 1 1 A 58 58 VAL C C 58 173.747 175.598 -1.851 1
1 658 . 6 1 1 A 59 59 GLU N N 59 127.314 128.638 -1.324 1
1 659 . 6 1 1 A 59 59 GLU H H 59 8.783 8.997 -0.214 1
1 660 . 6 1 1 A 59 59 GLU CA C 59 54.465 54.939 -0.474 1
1 661 . 6 1 1 A 59 59 GLU HA H 59 4.671 4.747 -0.076 1
1 662 . 6 1 1 A 59 59 GLU CB C 59 30.020 30.035 -0.015 1
1 668 . 6 1 1 A 59 59 GLU C C 59 176.450 176.678 -0.228 1
1 669 . 6 1 1 A 60 60 MET N N 60 122.273 124.148 -1.875 1
1 670 . 6 1 1 A 60 60 MET H H 60 9.004 8.552 0.452 1
1 671 . 6 1 1 A 60 60 MET CA C 60 55.751 58.779 -3.028 1
1 672 . 6 1 1 A 60 60 MET HA H 60 4.613 4.149 0.464 1
1 673 . 6 1 1 A 60 60 MET CB C 60 29.356 32.760 -3.404 1
1 683 . 6 1 1 A 60 60 MET C C 60 178.387 178.229 0.158 1
1 684 . 6 1 1 A 61 61 HIS N N 61 115.823 120.390 -4.567 1
1 685 . 6 1 1 A 61 61 HIS H H 61 8.198 8.459 -0.261 1
1 686 . 6 1 1 A 61 61 HIS CA C 61 57.963 59.809 -1.846 1
1 687 . 6 1 1 A 61 61 HIS HA H 61 4.341 4.034 0.307 1
1 688 . 6 1 1 A 61 61 HIS CB C 61 29.235 30.163 -0.928 1
1 695 . 6 1 1 A 61 61 HIS C C 61 175.800 176.963 -1.163 1
1 696 . 6 1 1 A 62 62 ASN N N 62 115.093 115.515 -0.422 1
1 697 . 6 1 1 A 62 62 ASN H H 62 6.895 7.432 -0.537 1
1 698 . 6 1 1 A 62 62 ASN CA C 62 54.503 55.049 -0.546 1
1 699 . 6 1 1 A 62 62 ASN HA H 62 3.872 4.445 -0.573 1
1 700 . 6 1 1 A 62 62 ASN CB C 62 38.749 39.252 -0.503 1
1 706 . 6 1 1 A 62 62 ASN C C 62 173.014 175.648 -2.634 1
1 707 . 6 1 1 A 63 63 TYR N N 63 118.560 117.270 1.290 1
1 708 . 6 1 1 A 63 63 TYR H H 63 7.255 7.323 -0.068 1
1 709 . 6 1 1 A 63 63 TYR CA C 63 56.311 58.681 -2.370 1
1 710 . 6 1 1 A 63 63 TYR HA H 63 4.481 4.655 -0.174 1
1 711 . 6 1 1 A 63 63 TYR CB C 63 39.138 39.723 -0.585 1
1 722 . 6 1 1 A 63 63 TYR C C 63 173.223 176.303 -3.080 1
1 723 . 6 1 1 A 64 64 VAL N N 64 122.318 122.959 -0.641 1
1 724 . 6 1 1 A 64 64 VAL H H 64 7.750 8.669 -0.919 1
1 725 . 6 1 1 A 64 64 VAL CA C 64 58.601 58.765 -0.164 1
1 726 . 6 1 1 A 64 64 VAL HA H 64 4.469 4.620 -0.151 1
1 727 . 6 1 1 A 64 64 VAL CB C 64 33.747 35.701 -1.954 1
1 737 . 6 1 1 A 64 64 VAL C C 64 173.983 173.879 0.104 1
1 738 . 6 1 1 A 65 65 PRO CA C 65 63.212 62.312 0.900 1
1 739 . 6 1 1 A 65 65 PRO HA H 65 4.348 4.748 -0.400 1
1 740 . 6 1 1 A 65 65 PRO CB C 65 31.279 31.686 -0.407 1
1 749 . 6 1 1 A 65 65 PRO C C 65 176.821 176.361 0.460 1
1 750 . 6 1 1 A 66 66 ALA N N 66 125.896 125.936 -0.040 1
1 751 . 6 1 1 A 66 66 ALA H H 66 8.563 8.267 0.296 1
1 752 . 6 1 1 A 66 66 ALA CA C 66 52.003 51.105 0.898 1
1 753 . 6 1 1 A 66 66 ALA HA H 66 4.651 4.722 -0.071 1
1 754 . 6 1 1 A 66 66 ALA CB C 66 24.137 21.660 2.477 1
1 758 . 6 1 1 A 66 66 ALA C C 66 176.244 177.393 -1.149 1
1 759 . 6 1 1 A 67 67 ASN CA C 67 52.862 51.941 0.921 1
1 760 . 6 1 1 A 67 67 ASN HA H 67 4.988 5.150 -0.162 1
1 761 . 6 1 1 A 67 67 ASN CB C 67 40.168 39.276 0.892 1
1 767 . 6 1 1 A 67 67 ASN C C 67 174.896 173.934 0.962 1
1 768 . 6 1 1 A 68 68 SER N N 68 114.553 112.814 1.739 1
1 769 . 6 1 1 A 68 68 SER H H 68 7.777 7.664 0.113 1
1 770 . 6 1 1 A 68 68 SER CA C 68 56.741 57.287 -0.546 1
1 771 . 6 1 1 A 68 68 SER HA H 68 4.737 4.725 0.012 1
1 772 . 6 1 1 A 68 68 SER CB C 68 65.267 66.322 -1.055 1
1 775 . 6 1 1 A 68 68 SER C C 68 174.542 174.698 -0.156 1
1 776 . 6 1 1 A 69 69 LEU CA C 69 59.000 59.105 -0.105 1
1 777 . 6 1 1 A 69 69 LEU HA H 69 3.961 3.989 -0.028 1
1 778 . 6 1 1 A 69 69 LEU CB C 69 41.679 42.008 -0.329 1
1 791 . 6 1 1 A 69 69 LEU C C 69 178.629 178.293 0.336 1
1 792 . 6 1 1 A 70 70 GLN N N 70 115.924 117.524 -1.600 1
1 793 . 6 1 1 A 70 70 GLN H H 70 8.785 8.379 0.406 1
1 794 . 6 1 1 A 70 70 GLN CA C 70 59.728 59.481 0.247 1
1 795 . 6 1 1 A 70 70 GLN HA H 70 3.977 3.979 -0.002 1
1 796 . 6 1 1 A 70 70 GLN CB C 70 27.912 28.257 -0.345 1
1 805 . 6 1 1 A 70 70 GLN C C 70 178.954 178.428 0.526 1
1 806 . 6 1 1 A 71 71 GLN N N 71 118.694 119.673 -0.979 1
1 807 . 6 1 1 A 71 71 GLN H H 71 7.780 7.916 -0.136 1
1 808 . 6 1 1 A 71 71 GLN CA C 71 58.233 58.896 -0.663 1
1 809 . 6 1 1 A 71 71 GLN HA H 71 4.219 4.013 0.206 1
1 810 . 6 1 1 A 71 71 GLN CB C 71 29.089 28.394 0.695 1
1 819 . 6 1 1 A 71 71 GLN C C 71 178.724 177.983 0.741 1
1 820 . 6 1 1 A 72 72 LYS N N 72 119.661 118.170 1.491 1
1 821 . 6 1 1 A 72 72 LYS H H 72 8.094 7.924 0.170 1
1 822 . 6 1 1 A 72 72 LYS CA C 72 61.528 59.751 1.777 1
1 823 . 6 1 1 A 72 72 LYS HA H 72 4.206 3.981 0.225 1
1 824 . 6 1 1 A 72 72 LYS CB C 72 33.806 32.328 1.478 1
1 836 . 6 1 1 A 72 72 LYS C C 72 179.041 178.969 0.072 1
1 837 . 6 1 1 A 73 73 LEU N N 73 117.098 120.818 -3.720 1
1 838 . 6 1 1 A 73 73 LEU H H 73 8.602 7.797 0.805 1
1 839 . 6 1 1 A 73 73 LEU CA C 73 58.118 57.924 0.194 1
1 840 . 6 1 1 A 73 73 LEU HA H 73 4.287 4.126 0.161 1
1 841 . 6 1 1 A 73 73 LEU CB C 73 40.831 41.666 -0.835 1
1 854 . 6 1 1 A 73 73 LEU C C 73 180.838 179.019 1.819 1
1 855 . 6 1 1 A 74 74 SER N N 74 118.060 113.378 4.682 1
1 856 . 6 1 1 A 74 74 SER H H 74 8.334 7.834 0.500 1
1 857 . 6 1 1 A 74 74 SER CA C 74 61.971 61.588 0.383 1
1 858 . 6 1 1 A 74 74 SER HA H 74 4.431 3.957 0.474 1
1 859 . 6 1 1 A 74 74 SER CB C 74 62.560 62.982 -0.422 1
1 862 . 6 1 1 A 74 74 SER C C 74 177.493 176.878 0.615 1
1 863 . 6 1 1 A 75 75 ASN N N 75 121.688 118.757 2.931 1
1 864 . 6 1 1 A 75 75 ASN H H 75 8.266 7.718 0.548 1
1 865 . 6 1 1 A 75 75 ASN CA C 75 56.090 56.295 -0.205 1
1 866 . 6 1 1 A 75 75 ASN HA H 75 4.739 4.313 0.426 1
1 867 . 6 1 1 A 75 75 ASN CB C 75 38.184 38.495 -0.311 1
1 873 . 6 1 1 A 75 75 ASN C C 75 177.792 178.046 -0.254 1
1 874 . 6 1 1 A 76 76 TRP N N 76 118.943 119.985 -1.042 1
1 875 . 6 1 1 A 76 76 TRP H H 76 8.510 8.226 0.284 1
1 876 . 6 1 1 A 76 76 TRP CA C 76 62.294 59.233 3.061 1
1 877 . 6 1 1 A 76 76 TRP HA H 76 4.173 4.218 -0.045 1
1 878 . 6 1 1 A 76 76 TRP CB C 76 29.223 29.211 0.012 1
1 893 . 6 1 1 A 76 76 TRP C C 76 178.579 179.064 -0.485 1
1 894 . 6 1 1 A 77 77 GLY N N 77 107.789 107.688 0.101 1
1 895 . 6 1 1 A 77 77 GLY H H 77 8.954 8.768 0.186 1
1 896 . 6 1 1 A 77 77 GLY CA C 77 47.600 47.367 0.233 1
1 897 . 6 1 1 A 77 77 GLY HA2 H 77 4.122 3.671 0.451 1
1 898 . 6 1 1 A 77 77 GLY HA3 H 77 3.977 3.750 0.227 1
1 899 . 6 1 1 A 77 77 GLY C C 77 176.076 176.811 -0.735 1
1 900 . 6 1 1 A 78 78 HIS N N 78 122.925 120.158 2.767 1
1 901 . 6 1 1 A 78 78 HIS H H 78 8.127 7.775 0.352 1
1 902 . 6 1 1 A 78 78 HIS CA C 78 61.550 58.528 3.022 1
1 903 . 6 1 1 A 78 78 HIS HA H 78 4.206 4.768 -0.562 1
1 904 . 6 1 1 A 78 78 HIS CB C 78 30.794 30.446 0.348 1
1 911 . 6 1 1 A 78 78 HIS C C 78 177.572 177.976 -0.404 1
1 912 . 6 1 1 A 79 79 LEU N N 79 120.009 121.414 -1.405 1
1 913 . 6 1 1 A 79 79 LEU H H 79 8.726 8.096 0.630 1
1 914 . 6 1 1 A 79 79 LEU CA C 79 58.252 57.317 0.935 1
1 915 . 6 1 1 A 79 79 LEU HA H 79 4.227 4.136 0.091 1
1 916 . 6 1 1 A 79 79 LEU CB C 79 43.075 41.493 1.582 1
1 929 . 6 1 1 A 79 79 LEU C C 79 181.067 178.322 2.745 1
1 930 . 6 1 1 A 80 80 ASN N N 80 119.257 117.161 2.096 1
1 931 . 6 1 1 A 80 80 ASN H H 80 9.270 7.770 1.500 1
1 932 . 6 1 1 A 80 80 ASN CA C 80 57.279 55.782 1.497 1
1 933 . 6 1 1 A 80 80 ASN HA H 80 4.595 4.690 -0.095 1
1 934 . 6 1 1 A 80 80 ASN CB C 80 40.403 38.922 1.481 1
1 940 . 6 1 1 A 80 80 ASN C C 80 177.177 176.590 0.587 1
1 941 . 6 1 1 A 81 81 ARG N N 81 115.731 117.215 -1.484 1
1 942 . 6 1 1 A 81 81 ARG H H 81 8.085 8.000 0.085 1
1 943 . 6 1 1 A 81 81 ARG CA C 81 59.249 55.904 3.345 1
1 944 . 6 1 1 A 81 81 ARG HA H 81 4.167 4.620 -0.453 1
1 945 . 6 1 1 A 81 81 ARG CB C 81 31.579 31.085 0.494 1
1 954 . 6 1 1 A 81 81 ARG C C 81 177.890 176.756 1.134 1
1 955 . 6 1 1 A 82 82 LYS N N 82 113.840 117.746 -3.906 1
1 956 . 6 1 1 A 82 82 LYS H H 82 8.691 7.613 1.078 1
1 957 . 6 1 1 A 82 82 LYS CA C 82 56.216 57.060 -0.844 1
1 958 . 6 1 1 A 82 82 LYS HA H 82 4.441 4.429 0.012 1
1 959 . 6 1 1 A 82 82 LYS CB C 82 32.964 34.007 -1.043 1
1 971 . 6 1 1 A 82 82 LYS C C 82 177.543 177.367 0.176 1
1 972 . 6 1 1 A 83 83 VAL N N 83 117.873 118.381 -0.508 1
1 973 . 6 1 1 A 83 83 VAL H H 83 7.786 7.758 0.028 1
1 974 . 6 1 1 A 83 83 VAL CA C 83 64.939 64.346 0.593 1
1 975 . 6 1 1 A 83 83 VAL HA H 83 4.235 4.135 0.100 1
1 976 . 6 1 1 A 83 83 VAL CB C 83 34.046 31.960 2.086 1
1 986 . 6 1 1 A 83 83 VAL C C 83 176.945 177.756 -0.811 1
1 987 . 6 1 1 A 84 84 LEU N N 84 118.163 119.704 -1.541 1
1 988 . 6 1 1 A 84 84 LEU H H 84 9.200 8.099 1.101 1
1 989 . 6 1 1 A 84 84 LEU CA C 84 58.824 58.167 0.657 1
1 990 . 6 1 1 A 84 84 LEU HA H 84 3.898 3.968 -0.070 1
1 991 . 6 1 1 A 84 84 LEU CB C 84 38.418 41.822 -3.404 1
1 1004 . 6 1 1 A 84 84 LEU C C 84 179.874 178.875 0.999 1
1 1005 . 6 1 1 A 85 85 LYS N N 85 117.114 119.136 -2.022 1
1 1006 . 6 1 1 A 85 85 LYS H H 85 7.303 8.057 -0.754 1
1 1007 . 6 1 1 A 85 85 LYS CA C 85 59.436 59.712 -0.276 1
1 1008 . 6 1 1 A 85 85 LYS HA H 85 4.191 4.000 0.191 1
1 1009 . 6 1 1 A 85 85 LYS CB C 85 33.096 32.514 0.582 1
1 1021 . 6 1 1 A 85 85 LYS C C 85 180.286 178.926 1.360 1
1 1022 . 6 1 1 A 86 86 ARG N N 86 117.181 120.154 -2.973 1
1 1023 . 6 1 1 A 86 86 ARG H H 86 7.216 8.013 -0.797 1
1 1024 . 6 1 1 A 86 86 ARG CA C 86 57.924 58.919 -0.995 1
1 1025 . 6 1 1 A 86 86 ARG HA H 86 4.191 4.148 0.043 1
1 1026 . 6 1 1 A 86 86 ARG CB C 86 29.848 30.050 -0.202 1
1 1035 . 6 1 1 A 86 86 ARG C C 86 177.047 177.991 -0.944 1
1 1036 . 6 1 1 A 87 87 LEU N N 87 118.282 118.027 0.255 1
1 1037 . 6 1 1 A 87 87 LEU H H 87 7.584 8.068 -0.484 1
1 1038 . 6 1 1 A 87 87 LEU CA C 87 53.603 54.541 -0.938 1
1 1039 . 6 1 1 A 87 87 LEU HA H 87 4.339 4.396 -0.057 1
1 1040 . 6 1 1 A 87 87 LEU CB C 87 42.059 41.908 0.151 1
1 1053 . 6 1 1 A 87 87 LEU C C 87 175.182 175.856 -0.674 1
1 1054 . 6 1 1 A 88 88 ASN N N 88 115.016 115.141 -0.125 1
1 1055 . 6 1 1 A 88 88 ASN H H 88 7.932 7.830 0.102 1
1 1056 . 6 1 1 A 88 88 ASN CA C 88 54.081 54.462 -0.381 1
1 1057 . 6 1 1 A 88 88 ASN HA H 88 4.384 4.387 -0.003 1
1 1058 . 6 1 1 A 88 88 ASN CB C 88 36.809 37.031 -0.222 1
1 1064 . 6 1 1 A 88 88 ASN C C 88 173.426 173.509 -0.083 1
1 1065 . 6 1 1 A 89 89 PHE N N 89 119.795 118.869 0.926 1
1 1066 . 6 1 1 A 89 89 PHE H H 89 7.739 8.243 -0.504 1
1 1067 . 6 1 1 A 89 89 PHE CA C 89 56.231 57.116 -0.885 1
1 1068 . 6 1 1 A 89 89 PHE HA H 89 4.887 4.980 -0.093 1
1 1069 . 6 1 1 A 89 89 PHE CB C 89 43.188 42.273 0.915 1
1 1082 . 6 1 1 A 89 89 PHE C C 89 172.386 173.839 -1.453 1
1 1083 . 6 1 1 A 90 90 SER N N 90 117.020 123.146 -6.126 1
1 1084 . 6 1 1 A 90 90 SER H H 90 7.301 8.206 -0.905 1
1 1085 . 6 1 1 A 90 90 SER CA C 90 56.762 57.574 -0.812 1
1 1086 . 6 1 1 A 90 90 SER HA H 90 4.667 5.369 -0.702 1
1 1087 . 6 1 1 A 90 90 SER CB C 90 64.885 65.619 -0.734 1
1 1090 . 6 1 1 A 90 90 SER C C 90 172.726 173.382 -0.656 1
1 1091 . 6 1 1 A 91 91 VAL N N 91 126.604 125.392 1.212 1
1 1092 . 6 1 1 A 91 91 VAL H H 91 8.959 9.180 -0.221 1
1 1093 . 6 1 1 A 91 91 VAL CA C 91 59.173 58.874 0.299 1
1 1094 . 6 1 1 A 91 91 VAL HA H 91 4.336 4.532 -0.196 1
1 1095 . 6 1 1 A 91 91 VAL CB C 91 33.703 35.899 -2.196 1
1 1105 . 6 1 1 A 91 91 VAL C C 91 173.886 173.952 -0.066 1
1 1106 . 6 1 1 A 92 92 PRO CA C 92 62.618 62.856 -0.238 1
1 1107 . 6 1 1 A 92 92 PRO HA H 92 4.481 4.671 -0.190 1
1 1108 . 6 1 1 A 92 92 PRO CB C 92 33.302 32.913 0.389 1
1 1117 . 6 1 1 A 92 92 PRO C C 92 177.410 177.277 0.133 1
1 1118 . 6 1 1 A 93 93 ASP N N 93 123.319 122.087 1.232 1
1 1119 . 6 1 1 A 93 93 ASP H H 93 8.854 8.650 0.204 1
1 1120 . 6 1 1 A 93 93 ASP CA C 93 58.347 57.471 0.876 1
1 1121 . 6 1 1 A 93 93 ASP HA H 93 4.298 4.292 0.006 1
1 1122 . 6 1 1 A 93 93 ASP CB C 93 40.916 40.660 0.256 1
1 1125 . 6 1 1 A 93 93 ASP C C 93 178.221 178.046 0.175 1
1 1126 . 6 1 1 A 94 94 ASP N N 94 116.740 119.474 -2.734 1
1 1127 . 6 1 1 A 94 94 ASP H H 94 8.955 8.081 0.874 1
1 1128 . 6 1 1 A 94 94 ASP CA C 94 56.851 57.544 -0.693 1
1 1129 . 6 1 1 A 94 94 ASP HA H 94 4.222 4.346 -0.124 1
1 1130 . 6 1 1 A 94 94 ASP CB C 94 39.733 40.759 -1.026 1
1 1133 . 6 1 1 A 94 94 ASP C C 94 178.344 178.602 -0.258 1
1 1134 . 6 1 1 A 95 95 VAL N N 95 121.559 120.602 0.957 1
1 1135 . 6 1 1 A 95 95 VAL H H 95 6.935 7.575 -0.640 1
1 1136 . 6 1 1 A 95 95 VAL CA C 95 66.007 66.505 -0.498 1
1 1137 . 6 1 1 A 95 95 VAL HA H 95 3.378 3.433 -0.055 1
1 1138 . 6 1 1 A 95 95 VAL CB C 95 31.712 31.543 0.169 1
1 1148 . 6 1 1 A 95 95 VAL C C 95 177.153 177.685 -0.532 1
1 1149 . 6 1 1 A 96 96 MET N N 96 118.492 117.009 1.483 1
1 1150 . 6 1 1 A 96 96 MET H H 96 7.993 7.798 0.195 1
1 1151 . 6 1 1 A 96 96 MET CA C 96 60.318 58.733 1.585 1
1 1152 . 6 1 1 A 96 96 MET HA H 96 3.037 3.710 -0.673 1
1 1153 . 6 1 1 A 96 96 MET CB C 96 33.348 32.306 1.042 1
1 1163 . 6 1 1 A 96 96 MET C C 96 176.993 178.824 -1.831 1
1 1164 . 6 1 1 A 97 97 ARG N N 97 116.593 118.768 -2.175 1
1 1165 . 6 1 1 A 97 97 ARG H H 97 7.668 7.931 -0.263 1
1 1166 . 6 1 1 A 97 97 ARG CA C 97 60.372 59.842 0.530 1
1 1167 . 6 1 1 A 97 97 ARG HA H 97 3.772 3.924 -0.152 1
1 1168 . 6 1 1 A 97 97 ARG CB C 97 29.627 29.920 -0.293 1
1 1177 . 6 1 1 A 97 97 ARG C C 97 177.718 178.658 -0.940 1
1 1178 . 6 1 1 A 98 98 LYS N N 98 118.000 118.668 -0.668 1
1 1179 . 6 1 1 A 98 98 LYS H H 98 7.279 7.614 -0.335 1
1 1180 . 6 1 1 A 98 98 LYS CA C 98 59.942 59.239 0.703 1
1 1181 . 6 1 1 A 98 98 LYS HA H 98 4.035 4.015 0.020 1
1 1182 . 6 1 1 A 98 98 LYS CB C 98 33.307 32.239 1.068 1
1 1194 . 6 1 1 A 98 98 LYS C C 98 178.861 178.972 -0.111 1
1 1195 . 6 1 1 A 99 99 ILE N N 99 119.736 120.913 -1.177 1
1 1196 . 6 1 1 A 99 99 ILE H H 99 8.298 7.937 0.361 1
1 1197 . 6 1 1 A 99 99 ILE CA C 99 65.451 65.358 0.093 1
1 1198 . 6 1 1 A 99 99 ILE HA H 99 3.473 3.649 -0.176 1
1 1199 . 6 1 1 A 99 99 ILE CB C 99 38.088 37.373 0.715 1
1 1212 . 6 1 1 A 99 99 ILE C C 99 181.472 177.930 3.542 1
1 1213 . 6 1 1 A 100 100 ALA N N 100 124.832 122.275 2.557 1
1 1214 . 6 1 1 A 100 100 ALA H H 100 8.473 8.050 0.423 1
1 1215 . 6 1 1 A 100 100 ALA CA C 100 54.623 54.610 0.013 1
1 1216 . 6 1 1 A 100 100 ALA HA H 100 4.481 4.117 0.364 1
1 1217 . 6 1 1 A 100 100 ALA CB C 100 19.106 18.075 1.031 1
1 1221 . 6 1 1 A 100 100 ALA C C 100 177.755 179.181 -1.426 1
1 1222 . 6 1 1 A 101 101 GLN N N 101 113.891 114.897 -1.006 1
1 1223 . 6 1 1 A 101 101 GLN H H 101 7.665 7.525 0.140 1
1 1224 . 6 1 1 A 101 101 GLN CA C 101 55.681 55.468 0.213 1
1 1225 . 6 1 1 A 101 101 GLN HA H 101 4.378 4.412 -0.034 1
1 1226 . 6 1 1 A 101 101 GLN CB C 101 28.879 28.761 0.118 1
1 1235 . 6 1 1 A 101 101 GLN C C 101 175.604 174.793 0.811 1
1 1236 . 6 1 1 A 102 102 CYS N N 102 114.274 116.656 -2.382 1
1 1237 . 6 1 1 A 102 102 CYS H H 102 8.300 7.974 0.326 1
1 1238 . 6 1 1 A 102 102 CYS CA C 102 58.700 60.501 -1.801 1
1 1239 . 6 1 1 A 102 102 CYS HA H 102 4.030 4.114 -0.084 1
1 1240 . 6 1 1 A 102 102 CYS CB C 102 24.987 25.800 -0.813 1
1 1243 . 6 1 1 A 102 102 CYS C C 102 174.186 173.718 0.468 1
1 1244 . 6 1 1 A 103 103 ALA N N 103 123.512 121.719 1.793 1
1 1245 . 6 1 1 A 103 103 ALA H H 103 8.175 7.364 0.811 1
1 1246 . 6 1 1 A 103 103 ALA CA C 103 50.841 50.266 0.575 1
1 1247 . 6 1 1 A 103 103 ALA HA H 103 4.458 4.527 -0.069 1
1 1248 . 6 1 1 A 103 103 ALA CB C 103 18.353 19.443 -1.090 1
1 1252 . 6 1 1 A 103 103 ALA C C 103 175.904 176.223 -0.319 1
1 1253 . 6 1 1 A 104 104 PRO CA C 104 64.290 63.838 0.452 1
1 1254 . 6 1 1 A 104 104 PRO HA H 104 4.315 4.314 0.001 1
1 1255 . 6 1 1 A 104 104 PRO CB C 104 32.028 31.349 0.679 1
1 1264 . 6 1 1 A 104 104 PRO C C 104 178.173 177.434 0.739 1
1 1265 . 6 1 1 A 105 105 GLY N N 105 113.466 112.276 1.190 1
1 1266 . 6 1 1 A 105 105 GLY H H 105 9.036 8.863 0.173 1
1 1267 . 6 1 1 A 105 105 GLY CA C 105 45.935 45.777 0.158 1
1 1268 . 6 1 1 A 105 105 GLY HA2 H 105 4.044 3.949 0.095 1
1 1269 . 6 1 1 A 105 105 GLY HA3 H 105 3.832 3.967 -0.135 1
1 1270 . 6 1 1 A 105 105 GLY C C 105 174.928 176.018 -1.090 1
1 1271 . 6 1 1 A 106 106 VAL N N 106 117.991 120.856 -2.865 1
1 1272 . 6 1 1 A 106 106 VAL H H 106 6.964 8.204 -1.240 1
1 1273 . 6 1 1 A 106 106 VAL CA C 106 66.071 66.735 -0.664 1
1 1274 . 6 1 1 A 106 106 VAL HA H 106 3.842 3.621 0.221 1
1 1275 . 6 1 1 A 106 106 VAL CB C 106 31.337 31.486 -0.149 1
1 1285 . 6 1 1 A 106 106 VAL C C 106 178.061 177.722 0.339 1
1 1286 . 6 1 1 A 107 107 VAL N N 107 121.474 120.604 0.870 1
1 1287 . 6 1 1 A 107 107 VAL H H 107 9.039 8.161 0.878 1
1 1288 . 6 1 1 A 107 107 VAL CA C 107 65.971 65.481 0.490 1
1 1289 . 6 1 1 A 107 107 VAL HA H 107 3.743 3.701 0.042 1
1 1290 . 6 1 1 A 107 107 VAL CB C 107 30.959 31.367 -0.408 1
1 1300 . 6 1 1 A 107 107 VAL C C 107 177.629 177.652 -0.023 1
1 1301 . 6 1 1 A 108 108 GLU N N 108 126.242 121.161 5.081 1
1 1302 . 6 1 1 A 108 108 GLU H H 108 11.107 8.398 2.709 1
1 1303 . 6 1 1 A 108 108 GLU CA C 108 62.429 59.589 2.840 1
1 1304 . 6 1 1 A 108 108 GLU HA H 108 3.584 4.095 -0.511 1
1 1305 . 6 1 1 A 108 108 GLU CB C 108 28.863 29.447 -0.584 1
1 1311 . 6 1 1 A 108 108 GLU C C 108 176.878 179.240 -2.362 1
1 1312 . 6 1 1 A 109 109 LEU N N 109 114.111 119.894 -5.783 1
1 1313 . 6 1 1 A 109 109 LEU H H 109 7.474 8.556 -1.082 1
1 1314 . 6 1 1 A 109 109 LEU CA C 109 56.293 57.645 -1.352 1
1 1315 . 6 1 1 A 109 109 LEU HA H 109 4.024 4.074 -0.050 1
1 1316 . 6 1 1 A 109 109 LEU CB C 109 40.846 41.757 -0.911 1
1 1329 . 6 1 1 A 109 109 LEU C C 109 178.647 177.967 0.680 1
1 1330 . 6 1 1 A 110 110 VAL N N 110 116.984 117.879 -0.895 1
1 1331 . 6 1 1 A 110 110 VAL H H 110 7.557 7.965 -0.408 1
1 1332 . 6 1 1 A 110 110 VAL CA C 110 64.274 63.957 0.317 1
1 1333 . 6 1 1 A 110 110 VAL HA H 110 4.206 4.262 -0.056 1
1 1334 . 6 1 1 A 110 110 VAL CB C 110 33.070 32.526 0.544 1
1 1344 . 6 1 1 A 110 110 VAL C C 110 176.435 177.504 -1.069 1
1 1345 . 6 1 1 A 111 111 LEU N N 111 118.461 121.783 -3.322 1
1 1346 . 6 1 1 A 111 111 LEU H H 111 8.453 8.187 0.266 1
1 1347 . 6 1 1 A 111 111 LEU CA C 111 58.047 57.500 0.547 1
1 1348 . 6 1 1 A 111 111 LEU HA H 111 4.003 4.208 -0.205 1
1 1349 . 6 1 1 A 111 111 LEU CB C 111 43.552 41.433 2.119 1
1 1362 . 6 1 1 A 111 111 LEU C C 111 177.274 179.263 -1.989 1
1 1363 . 6 1 1 A 112 112 ILE N N 112 115.835 119.773 -3.938 1
1 1364 . 6 1 1 A 112 112 ILE H H 112 7.850 8.090 -0.240 1
1 1365 . 6 1 1 A 112 112 ILE CA C 112 67.843 66.546 1.297 1
1 1366 . 6 1 1 A 112 112 ILE HA H 112 3.636 3.639 -0.003 1
1 1367 . 6 1 1 A 112 112 ILE CB C 112 36.504 35.934 0.570 1
1 1380 . 6 1 1 A 112 112 ILE C C 112 176.487 175.164 1.323 1
1 1381 . 6 1 1 A 113 113 PRO CA C 113 64.872 65.257 -0.385 1
1 1382 . 6 1 1 A 113 113 PRO HA H 113 4.420 4.379 0.041 1
1 1383 . 6 1 1 A 113 113 PRO CB C 113 30.348 31.354 -1.006 1
1 1392 . 6 1 1 A 113 113 PRO C C 113 179.001 178.874 0.127 1
1 1393 . 6 1 1 A 114 114 LEU N N 114 120.690 118.103 2.587 1
1 1394 . 6 1 1 A 114 114 LEU H H 114 7.672 7.699 -0.027 1
1 1395 . 6 1 1 A 114 114 LEU CA C 114 58.337 57.794 0.543 1
1 1396 . 6 1 1 A 114 114 LEU HA H 114 3.490 3.894 -0.404 1
1 1397 . 6 1 1 A 114 114 LEU CB C 114 41.840 41.734 0.106 1
1 1410 . 6 1 1 A 114 114 LEU C C 114 177.486 178.124 -0.638 1
1 1411 . 6 1 1 A 115 115 ARG N N 115 119.039 117.756 1.283 1
1 1412 . 6 1 1 A 115 115 ARG H H 115 8.159 7.680 0.479 1
1 1413 . 6 1 1 A 115 115 ARG CA C 115 60.199 58.952 1.247 1
1 1414 . 6 1 1 A 115 115 ARG HA H 115 3.215 3.826 -0.611 1
1 1415 . 6 1 1 A 115 115 ARG CB C 115 28.049 29.545 -1.496 1
1 1426 . 6 1 1 A 115 115 ARG C C 115 177.460 178.035 -0.575 1
1 1427 . 6 1 1 A 116 116 GLN N N 116 115.221 118.882 -3.661 1
1 1428 . 6 1 1 A 116 116 GLN H H 116 6.825 7.801 -0.976 1
1 1429 . 6 1 1 A 116 116 GLN CA C 116 58.838 58.309 0.529 1
1 1430 . 6 1 1 A 116 116 GLN HA H 116 3.830 3.981 -0.151 1
1 1431 . 6 1 1 A 116 116 GLN CB C 116 27.871 28.476 -0.605 1
1 1440 . 6 1 1 A 116 116 GLN C C 116 178.648 177.748 0.900 1
1 1441 . 6 1 1 A 117 117 ARG N N 117 118.476 118.579 -0.103 1
1 1442 . 6 1 1 A 117 117 ARG H H 117 8.028 7.738 0.290 1
1 1443 . 6 1 1 A 117 117 ARG CA C 117 57.607 57.740 -0.133 1
1 1444 . 6 1 1 A 117 117 ARG HA H 117 4.117 4.362 -0.245 1
1 1445 . 6 1 1 A 117 117 ARG CB C 117 30.040 31.181 -1.141 1
1 1454 . 6 1 1 A 117 117 ARG C C 117 179.370 178.343 1.027 1
1 1455 . 6 1 1 A 118 118 LEU N N 118 120.407 119.296 1.111 1
1 1456 . 6 1 1 A 118 118 LEU H H 118 8.533 7.892 0.641 1
1 1457 . 6 1 1 A 118 118 LEU CA C 118 58.295 58.118 0.177 1
1 1458 . 6 1 1 A 118 118 LEU HA H 118 3.950 4.039 -0.089 1
1 1459 . 6 1 1 A 118 118 LEU CB C 118 40.472 41.461 -0.989 1
1 1472 . 6 1 1 A 118 118 LEU C C 118 178.577 179.250 -0.673 1
1 1473 . 6 1 1 A 119 119 GLU N N 119 116.858 118.301 -1.443 1
1 1474 . 6 1 1 A 119 119 GLU H H 119 8.220 8.628 -0.408 1
1 1475 . 6 1 1 A 119 119 GLU CA C 119 59.441 59.094 0.347 1
1 1476 . 6 1 1 A 119 119 GLU HA H 119 4.047 4.049 -0.002 1
1 1477 . 6 1 1 A 119 119 GLU CB C 119 29.271 29.057 0.214 1
1 1483 . 6 1 1 A 119 119 GLU C C 119 179.631 179.209 0.422 1
1 1484 . 6 1 1 A 120 120 GLU N N 120 119.797 120.354 -0.557 1
1 1485 . 6 1 1 A 120 120 GLU H H 120 8.199 7.965 0.234 1
1 1486 . 6 1 1 A 120 120 GLU CA C 120 59.223 58.844 0.379 1
1 1487 . 6 1 1 A 120 120 GLU HA H 120 4.062 4.161 -0.099 1
1 1488 . 6 1 1 A 120 120 GLU CB C 120 29.562 29.972 -0.410 1
1 1494 . 6 1 1 A 120 120 GLU C C 120 178.823 178.730 0.093 1
1 1495 . 6 1 1 A 121 121 ARG N N 121 118.760 119.524 -0.764 1
1 1496 . 6 1 1 A 121 121 ARG H H 121 7.928 8.249 -0.321 1
1 1497 . 6 1 1 A 121 121 ARG CA C 121 58.065 59.532 -1.467 1
1 1498 . 6 1 1 A 121 121 ARG HA H 121 4.136 4.231 -0.095 1
1 1499 . 6 1 1 A 121 121 ARG CB C 121 29.478 30.401 -0.923 1
1 1508 . 6 1 1 A 121 121 ARG C C 121 178.426 178.653 -0.227 1
1 1509 . 6 1 1 A 122 122 GLN N N 122 119.430 119.588 -0.158 1
1 1510 . 6 1 1 A 122 122 GLN H H 122 8.323 8.273 0.050 1
1 1511 . 6 1 1 A 122 122 GLN CA C 122 58.489 59.244 -0.755 1
1 1512 . 6 1 1 A 122 122 GLN HA H 122 4.352 4.074 0.278 1
1 1513 . 6 1 1 A 122 122 GLN CB C 122 29.611 28.673 0.938 1
1 1522 . 6 1 1 A 122 122 GLN C C 122 177.291 178.087 -0.796 1
1 1523 . 6 1 1 A 123 123 ARG N N 123 118.341 117.753 0.588 1
1 1524 . 6 1 1 A 123 123 ARG H H 123 7.920 8.295 -0.375 1
1 1525 . 6 1 1 A 123 123 ARG CA C 123 57.695 59.137 -1.442 1
1 1526 . 6 1 1 A 123 123 ARG HA H 123 4.266 4.180 0.086 1
1 1527 . 6 1 1 A 123 123 ARG CB C 123 30.671 30.025 0.646 1
1 1536 . 6 1 1 A 123 123 ARG C C 123 177.214 176.705 0.509 1
1 1537 . 6 1 1 A 124 124 ARG N N 124 119.452 120.876 -1.424 1
1 1538 . 6 1 1 A 124 124 ARG H H 124 7.850 7.480 0.370 1
1 1539 . 6 1 1 A 124 124 ARG CA C 124 56.814 56.248 0.566 1
1 1540 . 6 1 1 A 124 124 ARG HA H 124 4.300 4.380 -0.080 1
1 1541 . 6 1 1 A 124 124 ARG CB C 124 30.672 30.853 -0.181 1
1 1550 . 6 1 1 A 124 124 ARG C C 124 176.540 176.071 0.469 1
1 1551 . 6 1 1 A 125 125 ARG N N 125 120.963 125.066 -4.103 1
1 1552 . 6 1 1 A 125 125 ARG H H 125 8.081 8.819 -0.738 1
1 1553 . 6 1 1 A 125 125 ARG CA C 125 56.514 56.630 -0.116 1
1 1554 . 6 1 1 A 125 125 ARG HA H 125 4.355 4.499 -0.144 1
1 1555 . 6 1 1 A 125 125 ARG CB C 125 30.694 31.351 -0.657 1
1 1564 . 6 1 1 A 125 125 ARG C C 125 176.133 176.056 0.077 1
1 1565 . 6 1 1 A 126 126 LYS N N 126 122.811 118.457 4.354 1
1 1566 . 6 1 1 A 126 126 LYS H H 126 8.252 7.598 0.654 1
1 1567 . 6 1 1 A 126 126 LYS CA C 126 56.430 55.261 1.169 1
1 1568 . 6 1 1 A 126 126 LYS HA H 126 4.351 4.428 -0.077 1
1 1569 . 6 1 1 A 126 126 LYS CB C 126 33.017 33.367 -0.350 1
1 1581 . 6 1 1 A 126 126 LYS C C 126 175.649 176.659 -1.010 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.715 60.609 -1.894 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.472 4.212 0.260 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.934 63.105 0.829 1
1 6 . 7 1 1 A 6 6 SER C C 6 174.927 174.658 0.269 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.435 112.082 -1.647 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.348 8.255 0.093 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.364 45.486 -0.122 1
1 10 . 7 1 1 A 7 7 GLY HA2 H 7 3.919 4.145 -0.226 1
1 11 . 7 1 1 A 7 7 GLY HA3 H 7 3.919 4.152 -0.233 1
1 12 . 7 1 1 A 7 7 GLY C C 7 173.952 172.360 1.592 1
1 13 . 7 1 1 A 8 8 MET N N 8 119.481 124.489 -5.008 1
1 14 . 7 1 1 A 8 8 MET H H 8 8.163 9.059 -0.896 1
1 15 . 7 1 1 A 8 8 MET CA C 8 55.472 54.584 0.888 1
1 16 . 7 1 1 A 8 8 MET HA H 8 4.486 5.048 -0.562 1
1 17 . 7 1 1 A 8 8 MET CB C 8 33.598 35.718 -2.120 1
1 27 . 7 1 1 A 8 8 MET C C 8 176.019 174.397 1.622 1
1 28 . 7 1 1 A 9 9 ALA N N 9 125.433 129.451 -4.018 1
1 29 . 7 1 1 A 9 9 ALA H H 9 8.436 8.616 -0.180 1
1 30 . 7 1 1 A 9 9 ALA CA C 9 52.481 50.152 2.329 1
1 31 . 7 1 1 A 9 9 ALA HA H 9 4.381 4.702 -0.321 1
1 32 . 7 1 1 A 9 9 ALA CB C 9 19.322 22.676 -3.354 1
1 36 . 7 1 1 A 9 9 ALA C C 9 177.349 177.397 -0.048 1
1 37 . 7 1 1 A 10 10 SER N N 10 114.383 115.236 -0.853 1
1 38 . 7 1 1 A 10 10 SER H H 10 8.372 8.600 -0.228 1
1 39 . 7 1 1 A 10 10 SER CA C 10 58.607 61.614 -3.007 1
1 40 . 7 1 1 A 10 10 SER HA H 10 4.470 4.435 0.035 1
1 41 . 7 1 1 A 10 10 SER CB C 10 63.979 63.541 0.438 1
1 44 . 7 1 1 A 10 10 SER C C 10 174.323 175.054 -0.731 1
1 45 . 7 1 1 A 11 11 SER N N 11 116.549 115.474 1.075 1
1 46 . 7 1 1 A 11 11 SER H H 11 8.111 8.100 0.011 1
1 47 . 7 1 1 A 11 11 SER CA C 11 58.189 57.971 0.218 1
1 48 . 7 1 1 A 11 11 SER HA H 11 4.487 4.650 -0.163 1
1 49 . 7 1 1 A 11 11 SER CB C 11 64.081 65.128 -1.047 1
1 52 . 7 1 1 A 11 11 SER C C 11 173.692 174.578 -0.886 1
1 53 . 7 1 1 A 12 12 VAL N N 12 120.502 121.901 -1.399 1
1 54 . 7 1 1 A 12 12 VAL H H 12 8.207 8.470 -0.263 1
1 55 . 7 1 1 A 12 12 VAL CA C 12 61.847 61.699 0.148 1
1 56 . 7 1 1 A 12 12 VAL HA H 12 4.150 4.320 -0.170 1
1 57 . 7 1 1 A 12 12 VAL CB C 12 33.269 31.222 2.047 1
1 67 . 7 1 1 A 12 12 VAL C C 12 174.930 175.232 -0.302 1
1 68 . 7 1 1 A 13 13 ASP N N 13 124.104 123.935 0.169 1
1 69 . 7 1 1 A 13 13 ASP H H 13 7.953 7.658 0.295 1
1 70 . 7 1 1 A 13 13 ASP CA C 13 53.249 54.392 -1.143 1
1 71 . 7 1 1 A 13 13 ASP HA H 13 4.661 4.557 0.104 1
1 72 . 7 1 1 A 13 13 ASP CB C 13 41.891 42.379 -0.488 1
1 75 . 7 1 1 A 13 13 ASP C C 13 176.009 177.427 -1.418 1
1 76 . 7 1 1 A 14 14 GLU N N 14 120.197 124.056 -3.859 1
1 77 . 7 1 1 A 14 14 GLU H H 14 8.568 8.969 -0.401 1
1 78 . 7 1 1 A 14 14 GLU CA C 14 59.932 59.356 0.576 1
1 79 . 7 1 1 A 14 14 GLU HA H 14 3.944 4.024 -0.080 1
1 80 . 7 1 1 A 14 14 GLU CB C 14 29.670 29.232 0.438 1
1 86 . 7 1 1 A 14 14 GLU C C 14 178.863 178.955 -0.092 1
1 87 . 7 1 1 A 15 15 GLU N N 15 120.713 119.992 0.721 1
1 88 . 7 1 1 A 15 15 GLU H H 15 8.312 8.479 -0.167 1
1 89 . 7 1 1 A 15 15 GLU CA C 15 59.101 59.509 -0.408 1
1 90 . 7 1 1 A 15 15 GLU HA H 15 4.244 4.108 0.136 1
1 91 . 7 1 1 A 15 15 GLU CB C 15 28.917 29.436 -0.519 1
1 97 . 7 1 1 A 15 15 GLU C C 15 178.511 178.229 0.282 1
1 98 . 7 1 1 A 16 16 ALA N N 16 123.041 122.718 0.323 1
1 99 . 7 1 1 A 16 16 ALA H H 16 8.047 7.925 0.122 1
1 100 . 7 1 1 A 16 16 ALA CA C 16 54.830 55.219 -0.389 1
1 101 . 7 1 1 A 16 16 ALA HA H 16 4.093 4.134 -0.041 1
1 102 . 7 1 1 A 16 16 ALA CB C 16 18.371 17.922 0.449 1
1 106 . 7 1 1 A 16 16 ALA C C 16 181.428 179.984 1.444 1
1 107 . 7 1 1 A 17 17 LEU N N 17 119.436 118.353 1.083 1
1 108 . 7 1 1 A 17 17 LEU H H 17 8.042 7.983 0.059 1
1 109 . 7 1 1 A 17 17 LEU CA C 17 57.623 57.799 -0.176 1
1 110 . 7 1 1 A 17 17 LEU HA H 17 3.838 3.835 0.003 1
1 111 . 7 1 1 A 17 17 LEU CB C 17 41.323 42.306 -0.983 1
1 124 . 7 1 1 A 17 17 LEU C C 17 177.590 179.068 -1.478 1
1 125 . 7 1 1 A 18 18 HIS N N 18 118.394 117.822 0.572 1
1 126 . 7 1 1 A 18 18 HIS H H 18 8.182 8.361 -0.179 1
1 127 . 7 1 1 A 18 18 HIS CA C 18 59.415 60.281 -0.866 1
1 128 . 7 1 1 A 18 18 HIS HA H 18 4.435 4.301 0.134 1
1 129 . 7 1 1 A 18 18 HIS CB C 18 29.560 30.015 -0.455 1
1 136 . 7 1 1 A 18 18 HIS C C 18 178.114 176.580 1.534 1
1 137 . 7 1 1 A 19 19 GLN N N 19 115.623 116.731 -1.108 1
1 138 . 7 1 1 A 19 19 GLN H H 19 8.178 7.949 0.229 1
1 139 . 7 1 1 A 19 19 GLN CA C 19 58.406 59.027 -0.621 1
1 140 . 7 1 1 A 19 19 GLN HA H 19 3.904 3.800 0.104 1
1 141 . 7 1 1 A 19 19 GLN CB C 19 28.118 28.372 -0.254 1
1 150 . 7 1 1 A 19 19 GLN C C 19 179.132 177.983 1.149 1
1 151 . 7 1 1 A 20 20 LEU N N 20 122.817 120.992 1.825 1
1 152 . 7 1 1 A 20 20 LEU H H 20 7.949 7.884 0.065 1
1 153 . 7 1 1 A 20 20 LEU CA C 20 58.278 57.706 0.572 1
1 154 . 7 1 1 A 20 20 LEU HA H 20 4.233 4.162 0.071 1
1 155 . 7 1 1 A 20 20 LEU CB C 20 40.850 41.564 -0.714 1
1 168 . 7 1 1 A 20 20 LEU C C 20 178.466 178.236 0.230 1
1 169 . 7 1 1 A 21 21 TYR N N 21 118.825 118.960 -0.135 1
1 170 . 7 1 1 A 21 21 TYR H H 21 8.376 7.917 0.459 1
1 171 . 7 1 1 A 21 21 TYR CA C 21 60.605 60.755 -0.150 1
1 172 . 7 1 1 A 21 21 TYR HA H 21 4.286 4.275 0.011 1
1 173 . 7 1 1 A 21 21 TYR CB C 21 36.667 38.486 -1.819 1
1 184 . 7 1 1 A 21 21 TYR C C 21 178.654 178.162 0.492 1
1 185 . 7 1 1 A 22 22 LEU N N 22 118.954 120.000 -1.046 1
1 186 . 7 1 1 A 22 22 LEU H H 22 7.869 8.754 -0.885 1
1 187 . 7 1 1 A 22 22 LEU CA C 22 57.887 58.372 -0.485 1
1 188 . 7 1 1 A 22 22 LEU HA H 22 4.076 3.742 0.334 1
1 189 . 7 1 1 A 22 22 LEU CB C 22 42.250 41.498 0.752 1
1 202 . 7 1 1 A 22 22 LEU C C 22 178.877 178.750 0.127 1
1 203 . 7 1 1 A 23 23 TRP N N 23 120.668 120.110 0.558 1
1 204 . 7 1 1 A 23 23 TRP H H 23 7.804 7.913 -0.109 1
1 205 . 7 1 1 A 23 23 TRP CA C 23 60.711 61.277 -0.566 1
1 206 . 7 1 1 A 23 23 TRP HA H 23 4.436 4.168 0.268 1
1 207 . 7 1 1 A 23 23 TRP CB C 23 28.035 29.584 -1.549 1
1 222 . 7 1 1 A 23 23 TRP C C 23 178.471 178.034 0.437 1
1 223 . 7 1 1 A 24 24 VAL N N 24 116.831 119.512 -2.681 1
1 224 . 7 1 1 A 24 24 VAL H H 24 8.503 7.753 0.750 1
1 225 . 7 1 1 A 24 24 VAL CA C 24 66.014 66.341 -0.327 1
1 226 . 7 1 1 A 24 24 VAL HA H 24 3.084 2.864 0.220 1
1 227 . 7 1 1 A 24 24 VAL CB C 24 31.826 31.406 0.420 1
1 237 . 7 1 1 A 24 24 VAL C C 24 178.212 177.469 0.743 1
1 238 . 7 1 1 A 25 25 ASP N N 25 117.894 119.896 -2.002 1
1 239 . 7 1 1 A 25 25 ASP H H 25 8.140 7.971 0.169 1
1 240 . 7 1 1 A 25 25 ASP CA C 25 57.043 57.540 -0.497 1
1 241 . 7 1 1 A 25 25 ASP HA H 25 4.290 4.241 0.049 1
1 242 . 7 1 1 A 25 25 ASP CB C 25 41.067 41.247 -0.180 1
1 245 . 7 1 1 A 25 25 ASP C C 25 177.163 178.243 -1.080 1
1 246 . 7 1 1 A 26 26 ASN N N 26 114.914 116.439 -1.525 1
1 247 . 7 1 1 A 26 26 ASN H H 26 7.229 8.485 -1.256 1
1 248 . 7 1 1 A 26 26 ASN CA C 26 53.375 55.864 -2.489 1
1 249 . 7 1 1 A 26 26 ASN HA H 26 4.607 4.450 0.157 1
1 250 . 7 1 1 A 26 26 ASN CB C 26 40.048 38.843 1.205 1
1 256 . 7 1 1 A 26 26 ASN C C 26 174.227 175.960 -1.733 1
1 257 . 7 1 1 A 27 27 ILE N N 27 123.268 120.229 3.039 1
1 258 . 7 1 1 A 27 27 ILE H H 27 7.212 7.838 -0.626 1
1 259 . 7 1 1 A 27 27 ILE CA C 27 58.327 60.333 -2.006 1
1 260 . 7 1 1 A 27 27 ILE HA H 27 3.628 4.155 -0.527 1
1 261 . 7 1 1 A 27 27 ILE CB C 27 39.403 37.732 1.671 1
1 274 . 7 1 1 A 27 27 ILE C C 27 173.764 175.960 -2.196 1
1 275 . 7 1 1 A 28 28 PRO CA C 28 62.584 63.608 -1.024 1
1 276 . 7 1 1 A 28 28 PRO HA H 28 4.354 4.554 -0.200 1
1 277 . 7 1 1 A 28 28 PRO CB C 28 30.056 31.910 -1.854 1
1 286 . 7 1 1 A 28 28 PRO C C 28 175.419 176.403 -0.984 1
1 287 . 7 1 1 A 29 29 LEU N N 29 125.355 120.736 4.619 1
1 288 . 7 1 1 A 29 29 LEU H H 29 8.118 7.432 0.686 1
1 289 . 7 1 1 A 29 29 LEU CA C 29 53.358 55.489 -2.131 1
1 290 . 7 1 1 A 29 29 LEU HA H 29 4.748 4.155 0.593 1
1 291 . 7 1 1 A 29 29 LEU CB C 29 45.279 41.732 3.547 1
1 304 . 7 1 1 A 29 29 LEU C C 29 178.577 177.147 1.430 1
1 305 . 7 1 1 A 31 31 ARG CA C 31 53.250 52.849 0.401 1
1 306 . 7 1 1 A 31 31 ARG HA H 31 4.787 4.856 -0.069 1
1 307 . 7 1 1 A 31 31 ARG CB C 31 32.107 33.180 -1.073 1
1 316 . 7 1 1 A 32 32 PRO CA C 32 62.865 62.619 0.246 1
1 317 . 7 1 1 A 32 32 PRO HA H 32 4.300 4.544 -0.244 1
1 318 . 7 1 1 A 32 32 PRO CB C 32 32.193 32.424 -0.231 1
1 327 . 7 1 1 A 33 33 LYS CA C 33 56.154 55.445 0.709 1
1 328 . 7 1 1 A 33 33 LYS HA H 33 4.361 4.670 -0.309 1
1 329 . 7 1 1 A 33 33 LYS CB C 33 32.368 33.479 -1.111 1
1 341 . 7 1 1 A 34 34 ARG N N 34 122.768 124.388 -1.620 1
1 342 . 7 1 1 A 34 34 ARG H H 34 8.410 9.087 -0.677 1
1 343 . 7 1 1 A 34 34 ARG HA H 34 4.336 4.624 -0.288 1
1 344 . 7 1 1 A 34 34 ARG CB C 34 31.894 32.916 -1.022 1
1 349 . 7 1 1 A 35 35 ASN CA C 35 53.153 52.884 0.269 1
1 350 . 7 1 1 A 35 35 ASN HA H 35 4.771 4.964 -0.193 1
1 351 . 7 1 1 A 35 35 ASN CB C 35 39.425 40.577 -1.152 1
1 357 . 7 1 1 A 36 36 LEU N N 36 110.943 128.176 -17.233 1
1 358 . 7 1 1 A 36 36 LEU H H 36 8.305 8.676 -0.371 1
1 359 . 7 1 1 A 36 36 LEU CA C 36 60.191 58.661 1.530 1
1 360 . 7 1 1 A 36 36 LEU HA H 36 4.140 4.166 -0.026 1
1 361 . 7 1 1 A 36 36 LEU CB C 36 41.876 41.639 0.237 1
1 374 . 7 1 1 A 37 37 SER CA C 37 61.673 61.318 0.355 1
1 375 . 7 1 1 A 37 37 SER HA H 37 4.080 4.075 0.005 1
1 376 . 7 1 1 A 37 37 SER CB C 37 62.700 62.927 -0.227 1
1 379 . 7 1 1 A 38 38 ARG N N 38 119.288 121.678 -2.390 1
1 380 . 7 1 1 A 38 38 ARG H H 38 7.773 7.623 0.150 1
1 381 . 7 1 1 A 38 38 ARG HA H 38 4.587 4.224 0.363 1
1 384 . 7 1 1 A 39 39 ASP N N 39 121.607 119.059 2.548 1
1 385 . 7 1 1 A 39 39 ASP H H 39 9.487 8.509 0.978 1
1 386 . 7 1 1 A 39 39 ASP CA C 39 58.026 57.570 0.456 1
1 387 . 7 1 1 A 39 39 ASP HA H 39 4.518 4.319 0.199 1
1 388 . 7 1 1 A 39 39 ASP CB C 39 40.039 40.377 -0.338 1
1 391 . 7 1 1 A 40 40 PHE N N 40 115.310 119.538 -4.228 1
1 392 . 7 1 1 A 40 40 PHE H H 40 8.300 8.344 -0.044 1
1 393 . 7 1 1 A 40 40 PHE CA C 40 59.420 60.713 -1.293 1
1 394 . 7 1 1 A 40 40 PHE HA H 40 4.605 4.298 0.307 1
1 395 . 7 1 1 A 40 40 PHE CB C 40 39.030 39.030 0.000 1
1 408 . 7 1 1 A 41 41 SER N N 41 115.417 115.658 -0.241 1
1 409 . 7 1 1 A 41 41 SER H H 41 7.441 8.457 -1.016 1
1 410 . 7 1 1 A 41 41 SER CA C 41 62.290 62.486 -0.196 1
1 411 . 7 1 1 A 41 41 SER HA H 41 4.341 4.404 -0.063 1
1 412 . 7 1 1 A 41 41 SER CB C 41 64.510 63.122 1.388 1
1 415 . 7 1 1 A 42 42 ASP N N 42 117.563 120.015 -2.452 1
1 416 . 7 1 1 A 42 42 ASP H H 42 8.726 8.241 0.485 1
1 417 . 7 1 1 A 42 42 ASP CA C 42 53.746 54.864 -1.118 1
1 418 . 7 1 1 A 42 42 ASP HA H 42 4.780 4.670 0.110 1
1 419 . 7 1 1 A 42 42 ASP CB C 42 42.695 41.370 1.325 1
1 422 . 7 1 1 A 42 42 ASP C C 42 176.013 176.180 -0.167 1
1 423 . 7 1 1 A 43 43 GLY N N 43 106.643 107.214 -0.571 1
1 424 . 7 1 1 A 43 43 GLY H H 43 7.388 7.591 -0.203 1
1 425 . 7 1 1 A 43 43 GLY CA C 43 45.230 44.878 0.352 1
1 426 . 7 1 1 A 43 43 GLY HA2 H 43 3.131 3.333 -0.202 1
1 427 . 7 1 1 A 43 43 GLY HA3 H 43 2.588 3.482 -0.894 1
1 428 . 7 1 1 A 43 43 GLY C C 43 173.476 175.630 -2.154 1
1 429 . 7 1 1 A 44 44 VAL N N 44 121.300 120.598 0.702 1
1 430 . 7 1 1 A 44 44 VAL H H 44 7.874 8.032 -0.158 1
1 431 . 7 1 1 A 44 44 VAL CA C 44 67.198 65.569 1.629 1
1 432 . 7 1 1 A 44 44 VAL HA H 44 3.018 3.554 -0.536 1
1 433 . 7 1 1 A 44 44 VAL CB C 44 31.139 31.690 -0.551 1
1 443 . 7 1 1 A 44 44 VAL C C 44 177.853 178.178 -0.325 1
1 444 . 7 1 1 A 45 45 LEU N N 45 114.495 120.841 -6.346 1
1 445 . 7 1 1 A 45 45 LEU H H 45 8.945 8.021 0.924 1
1 446 . 7 1 1 A 45 45 LEU CA C 45 57.466 57.683 -0.217 1
1 447 . 7 1 1 A 45 45 LEU HA H 45 3.838 3.948 -0.110 1
1 448 . 7 1 1 A 45 45 LEU CB C 45 40.503 41.387 -0.884 1
1 461 . 7 1 1 A 45 45 LEU C C 45 179.257 178.386 0.871 1
1 462 . 7 1 1 A 46 46 VAL N N 46 118.354 118.870 -0.516 1
1 463 . 7 1 1 A 46 46 VAL H H 46 7.422 7.532 -0.110 1
1 464 . 7 1 1 A 46 46 VAL CA C 46 67.288 66.094 1.194 1
1 465 . 7 1 1 A 46 46 VAL HA H 46 3.469 3.162 0.307 1
1 466 . 7 1 1 A 46 46 VAL CB C 46 30.173 31.518 -1.345 1
1 476 . 7 1 1 A 46 46 VAL C C 46 176.954 178.121 -1.167 1
1 477 . 7 1 1 A 47 47 ALA N N 47 121.963 122.263 -0.300 1
1 478 . 7 1 1 A 47 47 ALA H H 47 7.272 7.826 -0.554 1
1 479 . 7 1 1 A 47 47 ALA CA C 47 55.991 55.759 0.232 1
1 480 . 7 1 1 A 47 47 ALA HA H 47 3.576 3.905 -0.329 1
1 481 . 7 1 1 A 47 47 ALA CB C 47 17.292 18.070 -0.778 1
1 485 . 7 1 1 A 47 47 ALA C C 47 178.880 180.390 -1.510 1
1 486 . 7 1 1 A 48 48 GLU N N 48 116.763 118.565 -1.802 1
1 487 . 7 1 1 A 48 48 GLU H H 48 8.081 7.737 0.344 1
1 488 . 7 1 1 A 48 48 GLU CA C 48 60.605 59.423 1.182 1
1 489 . 7 1 1 A 48 48 GLU HA H 48 3.851 4.020 -0.169 1
1 490 . 7 1 1 A 48 48 GLU CB C 48 30.467 29.501 0.966 1
1 496 . 7 1 1 A 48 48 GLU C C 48 180.175 179.512 0.663 1
1 497 . 7 1 1 A 49 49 VAL N N 49 122.024 120.045 1.979 1
1 498 . 7 1 1 A 49 49 VAL H H 49 8.325 7.471 0.854 1
1 499 . 7 1 1 A 49 49 VAL CA C 49 67.146 66.199 0.947 1
1 500 . 7 1 1 A 49 49 VAL HA H 49 3.530 3.641 -0.111 1
1 501 . 7 1 1 A 49 49 VAL CB C 49 31.543 31.428 0.115 1
1 511 . 7 1 1 A 49 49 VAL C C 49 177.168 178.447 -1.279 1
1 512 . 7 1 1 A 50 50 ILE N N 50 117.821 121.214 -3.393 1
1 513 . 7 1 1 A 50 50 ILE H H 50 7.947 8.406 -0.459 1
1 514 . 7 1 1 A 50 50 ILE CA C 50 66.217 65.026 1.191 1
1 515 . 7 1 1 A 50 50 ILE HA H 50 3.757 3.908 -0.151 1
1 516 . 7 1 1 A 50 50 ILE CB C 50 37.952 37.027 0.925 1
1 529 . 7 1 1 A 50 50 ILE C C 50 177.890 178.146 -0.256 1
1 530 . 7 1 1 A 51 51 LYS N N 51 121.589 121.996 -0.407 1
1 531 . 7 1 1 A 51 51 LYS H H 51 8.790 8.132 0.658 1
1 532 . 7 1 1 A 51 51 LYS CA C 51 58.277 59.469 -1.192 1
1 533 . 7 1 1 A 51 51 LYS HA H 51 3.816 4.054 -0.238 1
1 534 . 7 1 1 A 51 51 LYS CB C 51 32.898 32.212 0.686 1
1 546 . 7 1 1 A 51 51 LYS C C 51 176.668 178.960 -2.292 1
1 547 . 7 1 1 A 52 52 PHE N N 52 117.622 120.307 -2.685 1
1 548 . 7 1 1 A 52 52 PHE H H 52 7.768 8.190 -0.422 1
1 549 . 7 1 1 A 52 52 PHE CA C 52 60.585 61.081 -0.496 1
1 550 . 7 1 1 A 52 52 PHE HA H 52 4.090 4.124 -0.034 1
1 551 . 7 1 1 A 52 52 PHE CB C 52 38.775 39.185 -0.410 1
1 564 . 7 1 1 A 52 52 PHE C C 52 176.831 176.593 0.238 1
1 565 . 7 1 1 A 53 53 TYR N N 53 115.876 115.215 0.661 1
1 566 . 7 1 1 A 53 53 TYR H H 53 7.346 8.264 -0.918 1
1 567 . 7 1 1 A 53 53 TYR CA C 53 61.264 59.402 1.862 1
1 568 . 7 1 1 A 53 53 TYR HA H 53 3.697 4.333 -0.636 1
1 569 . 7 1 1 A 53 53 TYR CB C 53 41.522 39.770 1.752 1
1 580 . 7 1 1 A 53 53 TYR C C 53 175.972 174.676 1.296 1
1 581 . 7 1 1 A 54 54 PHE N N 54 116.478 116.017 0.461 1
1 582 . 7 1 1 A 54 54 PHE H H 54 8.877 8.285 0.592 1
1 583 . 7 1 1 A 54 54 PHE CA C 54 55.553 55.438 0.115 1
1 584 . 7 1 1 A 54 54 PHE HA H 54 5.173 5.122 0.051 1
1 585 . 7 1 1 A 54 54 PHE CB C 54 40.841 41.396 -0.555 1
1 598 . 7 1 1 A 54 54 PHE C C 54 173.424 174.911 -1.487 1
1 599 . 7 1 1 A 55 55 PRO CA C 55 65.147 65.751 -0.604 1
1 600 . 7 1 1 A 55 55 PRO HA H 55 4.591 4.380 0.211 1
1 601 . 7 1 1 A 55 55 PRO CB C 55 32.014 31.959 0.055 1
1 610 . 7 1 1 A 55 55 PRO C C 55 179.255 178.805 0.450 1
1 611 . 7 1 1 A 56 56 LYS N N 56 113.672 116.815 -3.143 1
1 612 . 7 1 1 A 56 56 LYS H H 56 8.639 8.952 -0.313 1
1 613 . 7 1 1 A 56 56 LYS CA C 56 56.918 58.745 -1.827 1
1 614 . 7 1 1 A 56 56 LYS HA H 56 4.384 4.118 0.266 1
1 615 . 7 1 1 A 56 56 LYS CB C 56 31.868 31.645 0.223 1
1 627 . 7 1 1 A 56 56 LYS C C 56 178.220 178.762 -0.542 1
1 628 . 7 1 1 A 57 57 MET N N 57 116.692 119.306 -2.614 1
1 629 . 7 1 1 A 57 57 MET H H 57 8.099 8.245 -0.146 1
1 630 . 7 1 1 A 57 57 MET CA C 57 57.537 58.742 -1.205 1
1 631 . 7 1 1 A 57 57 MET HA H 57 4.260 4.202 0.058 1
1 632 . 7 1 1 A 57 57 MET CB C 57 35.400 31.916 3.484 1
1 642 . 7 1 1 A 57 57 MET C C 57 174.856 178.714 -3.858 1
1 643 . 7 1 1 A 58 58 VAL N N 58 114.727 119.754 -5.027 1
1 644 . 7 1 1 A 58 58 VAL H H 58 6.872 7.791 -0.919 1
1 645 . 7 1 1 A 58 58 VAL CA C 58 60.834 66.507 -5.673 1
1 646 . 7 1 1 A 58 58 VAL HA H 58 4.421 3.645 0.776 1
1 647 . 7 1 1 A 58 58 VAL CB C 58 36.223 31.569 4.654 1
1 657 . 7 1 1 A 58 58 VAL C C 58 173.747 176.249 -2.502 1
1 658 . 7 1 1 A 59 59 GLU N N 59 127.314 121.401 5.913 1
1 659 . 7 1 1 A 59 59 GLU H H 59 8.783 8.236 0.547 1
1 660 . 7 1 1 A 59 59 GLU CA C 59 54.465 57.289 -2.824 1
1 661 . 7 1 1 A 59 59 GLU HA H 59 4.671 4.070 0.601 1
1 662 . 7 1 1 A 59 59 GLU CB C 59 30.020 28.208 1.812 1
1 668 . 7 1 1 A 59 59 GLU C C 59 176.450 176.388 0.062 1
1 669 . 7 1 1 A 60 60 MET N N 60 122.273 118.193 4.080 1
1 670 . 7 1 1 A 60 60 MET H H 60 9.004 8.189 0.815 1
1 671 . 7 1 1 A 60 60 MET CA C 60 55.751 55.084 0.667 1
1 672 . 7 1 1 A 60 60 MET HA H 60 4.613 4.868 -0.255 1
1 673 . 7 1 1 A 60 60 MET CB C 60 29.356 31.780 -2.424 1
1 683 . 7 1 1 A 60 60 MET C C 60 178.387 176.406 1.981 1
1 684 . 7 1 1 A 61 61 HIS N N 61 115.823 118.917 -3.094 1
1 685 . 7 1 1 A 61 61 HIS H H 61 8.198 8.250 -0.052 1
1 686 . 7 1 1 A 61 61 HIS CA C 61 57.963 57.936 0.027 1
1 687 . 7 1 1 A 61 61 HIS HA H 61 4.341 4.798 -0.457 1
1 688 . 7 1 1 A 61 61 HIS CB C 61 29.235 31.702 -2.467 1
1 695 . 7 1 1 A 61 61 HIS C C 61 175.800 176.949 -1.149 1
1 696 . 7 1 1 A 62 62 ASN N N 62 115.093 114.988 0.105 1
1 697 . 7 1 1 A 62 62 ASN H H 62 6.895 8.237 -1.342 1
1 698 . 7 1 1 A 62 62 ASN CA C 62 54.503 55.868 -1.365 1
1 699 . 7 1 1 A 62 62 ASN HA H 62 3.872 4.154 -0.282 1
1 700 . 7 1 1 A 62 62 ASN CB C 62 38.749 37.302 1.447 1
1 706 . 7 1 1 A 62 62 ASN C C 62 173.014 175.395 -2.381 1
1 707 . 7 1 1 A 63 63 TYR N N 63 118.560 119.136 -0.576 1
1 708 . 7 1 1 A 63 63 TYR H H 63 7.255 7.357 -0.102 1
1 709 . 7 1 1 A 63 63 TYR CA C 63 56.311 58.820 -2.509 1
1 710 . 7 1 1 A 63 63 TYR HA H 63 4.481 4.557 -0.076 1
1 711 . 7 1 1 A 63 63 TYR CB C 63 39.138 39.151 -0.013 1
1 722 . 7 1 1 A 63 63 TYR C C 63 173.223 176.104 -2.881 1
1 723 . 7 1 1 A 64 64 VAL N N 64 122.318 121.555 0.763 1
1 724 . 7 1 1 A 64 64 VAL H H 64 7.750 8.648 -0.898 1
1 725 . 7 1 1 A 64 64 VAL CA C 64 58.601 58.904 -0.303 1
1 726 . 7 1 1 A 64 64 VAL HA H 64 4.469 4.640 -0.171 1
1 727 . 7 1 1 A 64 64 VAL CB C 64 33.747 35.518 -1.771 1
1 737 . 7 1 1 A 64 64 VAL C C 64 173.983 173.658 0.325 1
1 738 . 7 1 1 A 65 65 PRO CA C 65 63.212 62.543 0.669 1
1 739 . 7 1 1 A 65 65 PRO HA H 65 4.348 4.741 -0.393 1
1 740 . 7 1 1 A 65 65 PRO CB C 65 31.279 31.832 -0.553 1
1 749 . 7 1 1 A 65 65 PRO C C 65 176.821 175.913 0.908 1
1 750 . 7 1 1 A 66 66 ALA N N 66 125.896 126.561 -0.665 1
1 751 . 7 1 1 A 66 66 ALA H H 66 8.563 8.703 -0.140 1
1 752 . 7 1 1 A 66 66 ALA CA C 66 52.003 50.574 1.429 1
1 753 . 7 1 1 A 66 66 ALA HA H 66 4.651 4.957 -0.306 1
1 754 . 7 1 1 A 66 66 ALA CB C 66 24.137 23.011 1.126 1
1 758 . 7 1 1 A 66 66 ALA C C 66 176.244 177.041 -0.797 1
1 759 . 7 1 1 A 67 67 ASN CA C 67 52.862 52.333 0.529 1
1 760 . 7 1 1 A 67 67 ASN HA H 67 4.988 4.995 -0.007 1
1 761 . 7 1 1 A 67 67 ASN CB C 67 40.168 38.186 1.982 1
1 767 . 7 1 1 A 67 67 ASN C C 67 174.896 174.717 0.179 1
1 768 . 7 1 1 A 68 68 SER N N 68 114.553 111.733 2.820 1
1 769 . 7 1 1 A 68 68 SER H H 68 7.777 7.821 -0.044 1
1 770 . 7 1 1 A 68 68 SER CA C 68 56.741 56.141 0.600 1
1 771 . 7 1 1 A 68 68 SER HA H 68 4.737 4.895 -0.158 1
1 772 . 7 1 1 A 68 68 SER CB C 68 65.267 66.325 -1.058 1
1 775 . 7 1 1 A 68 68 SER C C 68 174.542 174.758 -0.216 1
1 776 . 7 1 1 A 69 69 LEU CA C 69 59.000 59.168 -0.168 1
1 777 . 7 1 1 A 69 69 LEU HA H 69 3.961 4.051 -0.090 1
1 778 . 7 1 1 A 69 69 LEU CB C 69 41.679 41.689 -0.010 1
1 791 . 7 1 1 A 69 69 LEU C C 69 178.629 178.588 0.041 1
1 792 . 7 1 1 A 70 70 GLN N N 70 115.924 117.470 -1.546 1
1 793 . 7 1 1 A 70 70 GLN H H 70 8.785 8.366 0.419 1
1 794 . 7 1 1 A 70 70 GLN CA C 70 59.728 59.552 0.176 1
1 795 . 7 1 1 A 70 70 GLN HA H 70 3.977 3.979 -0.002 1
1 796 . 7 1 1 A 70 70 GLN CB C 70 27.912 28.301 -0.389 1
1 805 . 7 1 1 A 70 70 GLN C C 70 178.954 178.527 0.427 1
1 806 . 7 1 1 A 71 71 GLN N N 71 118.694 119.846 -1.152 1
1 807 . 7 1 1 A 71 71 GLN H H 71 7.780 7.946 -0.166 1
1 808 . 7 1 1 A 71 71 GLN CA C 71 58.233 59.103 -0.870 1
1 809 . 7 1 1 A 71 71 GLN HA H 71 4.219 4.065 0.154 1
1 810 . 7 1 1 A 71 71 GLN CB C 71 29.089 28.645 0.444 1
1 819 . 7 1 1 A 71 71 GLN C C 71 178.724 177.882 0.842 1
1 820 . 7 1 1 A 72 72 LYS N N 72 119.661 118.254 1.407 1
1 821 . 7 1 1 A 72 72 LYS H H 72 8.094 8.071 0.023 1
1 822 . 7 1 1 A 72 72 LYS CA C 72 61.528 59.610 1.918 1
1 823 . 7 1 1 A 72 72 LYS HA H 72 4.206 3.991 0.215 1
1 824 . 7 1 1 A 72 72 LYS CB C 72 33.806 32.519 1.287 1
1 836 . 7 1 1 A 72 72 LYS C C 72 179.041 179.428 -0.387 1
1 837 . 7 1 1 A 73 73 LEU N N 73 117.098 120.817 -3.719 1
1 838 . 7 1 1 A 73 73 LEU H H 73 8.602 7.876 0.726 1
1 839 . 7 1 1 A 73 73 LEU CA C 73 58.118 57.939 0.179 1
1 840 . 7 1 1 A 73 73 LEU HA H 73 4.287 4.158 0.129 1
1 841 . 7 1 1 A 73 73 LEU CB C 73 40.831 41.495 -0.664 1
1 854 . 7 1 1 A 73 73 LEU C C 73 180.838 179.057 1.781 1
1 855 . 7 1 1 A 74 74 SER N N 74 118.060 114.035 4.025 1
1 856 . 7 1 1 A 74 74 SER H H 74 8.334 8.113 0.221 1
1 857 . 7 1 1 A 74 74 SER CA C 74 61.971 61.826 0.145 1
1 858 . 7 1 1 A 74 74 SER HA H 74 4.431 4.124 0.307 1
1 859 . 7 1 1 A 74 74 SER CB C 74 62.560 63.064 -0.504 1
1 862 . 7 1 1 A 74 74 SER C C 74 177.493 177.413 0.080 1
1 863 . 7 1 1 A 75 75 ASN N N 75 121.688 119.074 2.614 1
1 864 . 7 1 1 A 75 75 ASN H H 75 8.266 8.415 -0.149 1
1 865 . 7 1 1 A 75 75 ASN CA C 75 56.090 56.631 -0.541 1
1 866 . 7 1 1 A 75 75 ASN HA H 75 4.739 4.620 0.119 1
1 867 . 7 1 1 A 75 75 ASN CB C 75 38.184 38.188 -0.004 1
1 873 . 7 1 1 A 75 75 ASN C C 75 177.792 178.037 -0.245 1
1 874 . 7 1 1 A 76 76 TRP N N 76 118.943 120.578 -1.635 1
1 875 . 7 1 1 A 76 76 TRP H H 76 8.510 8.054 0.456 1
1 876 . 7 1 1 A 76 76 TRP CA C 76 62.294 59.540 2.754 1
1 877 . 7 1 1 A 76 76 TRP HA H 76 4.173 4.208 -0.035 1
1 878 . 7 1 1 A 76 76 TRP CB C 76 29.223 29.185 0.038 1
1 893 . 7 1 1 A 76 76 TRP C C 76 178.579 179.169 -0.590 1
1 894 . 7 1 1 A 77 77 GLY N N 77 107.789 107.642 0.147 1
1 895 . 7 1 1 A 77 77 GLY H H 77 8.954 8.707 0.247 1
1 896 . 7 1 1 A 77 77 GLY CA C 77 47.600 47.256 0.344 1
1 897 . 7 1 1 A 77 77 GLY HA2 H 77 4.122 3.749 0.373 1
1 898 . 7 1 1 A 77 77 GLY HA3 H 77 3.977 3.811 0.166 1
1 899 . 7 1 1 A 77 77 GLY C C 77 176.076 176.733 -0.657 1
1 900 . 7 1 1 A 78 78 HIS N N 78 122.925 120.247 2.678 1
1 901 . 7 1 1 A 78 78 HIS H H 78 8.127 7.898 0.229 1
1 902 . 7 1 1 A 78 78 HIS CA C 78 61.550 58.565 2.985 1
1 903 . 7 1 1 A 78 78 HIS HA H 78 4.206 4.818 -0.612 1
1 904 . 7 1 1 A 78 78 HIS CB C 78 30.794 29.689 1.105 1
1 911 . 7 1 1 A 78 78 HIS C C 78 177.572 177.921 -0.349 1
1 912 . 7 1 1 A 79 79 LEU N N 79 120.009 120.857 -0.848 1
1 913 . 7 1 1 A 79 79 LEU H H 79 8.726 8.501 0.225 1
1 914 . 7 1 1 A 79 79 LEU CA C 79 58.252 57.430 0.822 1
1 915 . 7 1 1 A 79 79 LEU HA H 79 4.227 4.083 0.144 1
1 916 . 7 1 1 A 79 79 LEU CB C 79 43.075 41.605 1.470 1
1 929 . 7 1 1 A 79 79 LEU C C 79 181.067 178.580 2.487 1
1 930 . 7 1 1 A 80 80 ASN N N 80 119.257 117.296 1.961 1
1 931 . 7 1 1 A 80 80 ASN H H 80 9.270 7.878 1.392 1
1 932 . 7 1 1 A 80 80 ASN CA C 80 57.279 55.989 1.290 1
1 933 . 7 1 1 A 80 80 ASN HA H 80 4.595 4.654 -0.059 1
1 934 . 7 1 1 A 80 80 ASN CB C 80 40.403 39.138 1.265 1
1 940 . 7 1 1 A 80 80 ASN C C 80 177.177 176.848 0.329 1
1 941 . 7 1 1 A 81 81 ARG N N 81 115.731 117.330 -1.599 1
1 942 . 7 1 1 A 81 81 ARG H H 81 8.085 8.073 0.012 1
1 943 . 7 1 1 A 81 81 ARG CA C 81 59.249 55.967 3.282 1
1 944 . 7 1 1 A 81 81 ARG HA H 81 4.167 4.594 -0.427 1
1 945 . 7 1 1 A 81 81 ARG CB C 81 31.579 31.068 0.511 1
1 954 . 7 1 1 A 81 81 ARG C C 81 177.890 176.797 1.093 1
1 955 . 7 1 1 A 82 82 LYS N N 82 113.840 117.768 -3.928 1
1 956 . 7 1 1 A 82 82 LYS H H 82 8.691 8.018 0.673 1
1 957 . 7 1 1 A 82 82 LYS CA C 82 56.216 56.791 -0.575 1
1 958 . 7 1 1 A 82 82 LYS HA H 82 4.441 4.491 -0.050 1
1 959 . 7 1 1 A 82 82 LYS CB C 82 32.964 34.076 -1.112 1
1 971 . 7 1 1 A 82 82 LYS C C 82 177.543 177.123 0.420 1
1 972 . 7 1 1 A 83 83 VAL N N 83 117.873 117.408 0.465 1
1 973 . 7 1 1 A 83 83 VAL H H 83 7.786 7.725 0.061 1
1 974 . 7 1 1 A 83 83 VAL CA C 83 64.939 64.088 0.851 1
1 975 . 7 1 1 A 83 83 VAL HA H 83 4.235 4.232 0.003 1
1 976 . 7 1 1 A 83 83 VAL CB C 83 34.046 32.567 1.479 1
1 986 . 7 1 1 A 83 83 VAL C C 83 176.945 177.713 -0.768 1
1 987 . 7 1 1 A 84 84 LEU N N 84 118.163 120.304 -2.141 1
1 988 . 7 1 1 A 84 84 LEU H H 84 9.200 8.268 0.932 1
1 989 . 7 1 1 A 84 84 LEU CA C 84 58.824 58.370 0.454 1
1 990 . 7 1 1 A 84 84 LEU HA H 84 3.898 3.932 -0.034 1
1 991 . 7 1 1 A 84 84 LEU CB C 84 38.418 41.712 -3.294 1
1 1004 . 7 1 1 A 84 84 LEU C C 84 179.874 178.977 0.897 1
1 1005 . 7 1 1 A 85 85 LYS N N 85 117.114 119.083 -1.969 1
1 1006 . 7 1 1 A 85 85 LYS H H 85 7.303 7.922 -0.619 1
1 1007 . 7 1 1 A 85 85 LYS CA C 85 59.436 59.925 -0.489 1
1 1008 . 7 1 1 A 85 85 LYS HA H 85 4.191 3.989 0.202 1
1 1009 . 7 1 1 A 85 85 LYS CB C 85 33.096 32.430 0.666 1
1 1021 . 7 1 1 A 85 85 LYS C C 85 180.286 178.970 1.316 1
1 1022 . 7 1 1 A 86 86 ARG N N 86 117.181 119.482 -2.301 1
1 1023 . 7 1 1 A 86 86 ARG H H 86 7.216 8.263 -1.047 1
1 1024 . 7 1 1 A 86 86 ARG CA C 86 57.924 59.033 -1.109 1
1 1025 . 7 1 1 A 86 86 ARG HA H 86 4.191 4.084 0.107 1
1 1026 . 7 1 1 A 86 86 ARG CB C 86 29.848 29.985 -0.137 1
1 1035 . 7 1 1 A 86 86 ARG C C 86 177.047 178.069 -1.022 1
1 1036 . 7 1 1 A 87 87 LEU N N 87 118.282 118.016 0.266 1
1 1037 . 7 1 1 A 87 87 LEU H H 87 7.584 8.340 -0.756 1
1 1038 . 7 1 1 A 87 87 LEU CA C 87 53.603 54.606 -1.003 1
1 1039 . 7 1 1 A 87 87 LEU HA H 87 4.339 4.412 -0.073 1
1 1040 . 7 1 1 A 87 87 LEU CB C 87 42.059 41.899 0.160 1
1 1053 . 7 1 1 A 87 87 LEU C C 87 175.182 176.200 -1.018 1
1 1054 . 7 1 1 A 88 88 ASN N N 88 115.016 117.429 -2.413 1
1 1055 . 7 1 1 A 88 88 ASN H H 88 7.932 8.052 -0.120 1
1 1056 . 7 1 1 A 88 88 ASN CA C 88 54.081 54.311 -0.230 1
1 1057 . 7 1 1 A 88 88 ASN HA H 88 4.384 4.399 -0.015 1
1 1058 . 7 1 1 A 88 88 ASN CB C 88 36.809 37.431 -0.622 1
1 1064 . 7 1 1 A 88 88 ASN C C 88 173.426 174.696 -1.270 1
1 1065 . 7 1 1 A 89 89 PHE N N 89 119.795 119.258 0.537 1
1 1066 . 7 1 1 A 89 89 PHE H H 89 7.739 7.727 0.012 1
1 1067 . 7 1 1 A 89 89 PHE CA C 89 56.231 57.286 -1.055 1
1 1068 . 7 1 1 A 89 89 PHE HA H 89 4.887 4.911 -0.024 1
1 1069 . 7 1 1 A 89 89 PHE CB C 89 43.188 41.615 1.573 1
1 1082 . 7 1 1 A 89 89 PHE C C 89 172.386 174.366 -1.980 1
1 1083 . 7 1 1 A 90 90 SER N N 90 117.020 121.436 -4.416 1
1 1084 . 7 1 1 A 90 90 SER H H 90 7.301 8.495 -1.194 1
1 1085 . 7 1 1 A 90 90 SER CA C 90 56.762 56.146 0.616 1
1 1086 . 7 1 1 A 90 90 SER HA H 90 4.667 5.406 -0.739 1
1 1087 . 7 1 1 A 90 90 SER CB C 90 64.885 66.267 -1.382 1
1 1090 . 7 1 1 A 90 90 SER C C 90 172.726 173.636 -0.910 1
1 1091 . 7 1 1 A 91 91 VAL N N 91 126.604 122.523 4.081 1
1 1092 . 7 1 1 A 91 91 VAL H H 91 8.959 9.068 -0.109 1
1 1093 . 7 1 1 A 91 91 VAL CA C 91 59.173 58.942 0.231 1
1 1094 . 7 1 1 A 91 91 VAL HA H 91 4.336 4.595 -0.259 1
1 1095 . 7 1 1 A 91 91 VAL CB C 91 33.703 35.778 -2.075 1
1 1105 . 7 1 1 A 91 91 VAL C C 91 173.886 173.585 0.301 1
1 1106 . 7 1 1 A 92 92 PRO CA C 92 62.618 62.696 -0.078 1
1 1107 . 7 1 1 A 92 92 PRO HA H 92 4.481 4.606 -0.125 1
1 1108 . 7 1 1 A 92 92 PRO CB C 92 33.302 32.722 0.580 1
1 1117 . 7 1 1 A 92 92 PRO C C 92 177.410 177.023 0.387 1
1 1118 . 7 1 1 A 93 93 ASP N N 93 123.319 121.967 1.352 1
1 1119 . 7 1 1 A 93 93 ASP H H 93 8.854 8.680 0.174 1
1 1120 . 7 1 1 A 93 93 ASP CA C 93 58.347 56.684 1.663 1
1 1121 . 7 1 1 A 93 93 ASP HA H 93 4.298 4.313 -0.015 1
1 1122 . 7 1 1 A 93 93 ASP CB C 93 40.916 40.428 0.488 1
1 1125 . 7 1 1 A 93 93 ASP C C 93 178.221 178.055 0.166 1
1 1126 . 7 1 1 A 94 94 ASP N N 94 116.740 120.163 -3.423 1
1 1127 . 7 1 1 A 94 94 ASP H H 94 8.955 7.980 0.975 1
1 1128 . 7 1 1 A 94 94 ASP CA C 94 56.851 57.192 -0.341 1
1 1129 . 7 1 1 A 94 94 ASP HA H 94 4.222 4.454 -0.232 1
1 1130 . 7 1 1 A 94 94 ASP CB C 94 39.733 41.032 -1.299 1
1 1133 . 7 1 1 A 94 94 ASP C C 94 178.344 178.869 -0.525 1
1 1134 . 7 1 1 A 95 95 VAL N N 95 121.559 120.593 0.966 1
1 1135 . 7 1 1 A 95 95 VAL H H 95 6.935 8.055 -1.120 1
1 1136 . 7 1 1 A 95 95 VAL CA C 95 66.007 66.258 -0.251 1
1 1137 . 7 1 1 A 95 95 VAL HA H 95 3.378 3.486 -0.108 1
1 1138 . 7 1 1 A 95 95 VAL CB C 95 31.712 31.400 0.312 1
1 1148 . 7 1 1 A 95 95 VAL C C 95 177.153 178.191 -1.038 1
1 1149 . 7 1 1 A 96 96 MET N N 96 118.492 118.412 0.080 1
1 1150 . 7 1 1 A 96 96 MET H H 96 7.993 7.591 0.402 1
1 1151 . 7 1 1 A 96 96 MET CA C 96 60.318 58.627 1.691 1
1 1152 . 7 1 1 A 96 96 MET HA H 96 3.037 3.866 -0.829 1
1 1153 . 7 1 1 A 96 96 MET CB C 96 33.348 32.977 0.371 1
1 1163 . 7 1 1 A 96 96 MET C C 96 176.993 178.727 -1.734 1
1 1164 . 7 1 1 A 97 97 ARG N N 97 116.593 118.920 -2.327 1
1 1165 . 7 1 1 A 97 97 ARG H H 97 7.668 7.807 -0.139 1
1 1166 . 7 1 1 A 97 97 ARG CA C 97 60.372 59.864 0.508 1
1 1167 . 7 1 1 A 97 97 ARG HA H 97 3.772 3.945 -0.173 1
1 1168 . 7 1 1 A 97 97 ARG CB C 97 29.627 29.855 -0.228 1
1 1177 . 7 1 1 A 97 97 ARG C C 97 177.718 178.995 -1.277 1
1 1178 . 7 1 1 A 98 98 LYS N N 98 118.000 119.250 -1.250 1
1 1179 . 7 1 1 A 98 98 LYS H H 98 7.279 7.277 0.002 1
1 1180 . 7 1 1 A 98 98 LYS CA C 98 59.942 59.232 0.710 1
1 1181 . 7 1 1 A 98 98 LYS HA H 98 4.035 4.017 0.018 1
1 1182 . 7 1 1 A 98 98 LYS CB C 98 33.307 32.283 1.024 1
1 1194 . 7 1 1 A 98 98 LYS C C 98 178.861 179.200 -0.339 1
1 1195 . 7 1 1 A 99 99 ILE N N 99 119.736 120.729 -0.993 1
1 1196 . 7 1 1 A 99 99 ILE H H 99 8.298 7.634 0.664 1
1 1197 . 7 1 1 A 99 99 ILE CA C 99 65.451 65.523 -0.072 1
1 1198 . 7 1 1 A 99 99 ILE HA H 99 3.473 3.525 -0.052 1
1 1199 . 7 1 1 A 99 99 ILE CB C 99 38.088 37.392 0.696 1
1 1212 . 7 1 1 A 99 99 ILE C C 99 181.472 177.984 3.488 1
1 1213 . 7 1 1 A 100 100 ALA N N 100 124.832 121.379 3.453 1
1 1214 . 7 1 1 A 100 100 ALA H H 100 8.473 7.890 0.583 1
1 1215 . 7 1 1 A 100 100 ALA CA C 100 54.623 54.231 0.392 1
1 1216 . 7 1 1 A 100 100 ALA HA H 100 4.481 4.198 0.283 1
1 1217 . 7 1 1 A 100 100 ALA CB C 100 19.106 18.202 0.904 1
1 1221 . 7 1 1 A 100 100 ALA C C 100 177.755 178.770 -1.015 1
1 1222 . 7 1 1 A 101 101 GLN N N 101 113.891 115.269 -1.378 1
1 1223 . 7 1 1 A 101 101 GLN H H 101 7.665 7.656 0.009 1
1 1224 . 7 1 1 A 101 101 GLN CA C 101 55.681 55.258 0.423 1
1 1225 . 7 1 1 A 101 101 GLN HA H 101 4.378 4.463 -0.085 1
1 1226 . 7 1 1 A 101 101 GLN CB C 101 28.879 28.597 0.282 1
1 1235 . 7 1 1 A 101 101 GLN C C 101 175.604 174.631 0.973 1
1 1236 . 7 1 1 A 102 102 CYS N N 102 114.274 115.553 -1.279 1
1 1237 . 7 1 1 A 102 102 CYS H H 102 8.300 7.892 0.408 1
1 1238 . 7 1 1 A 102 102 CYS CA C 102 58.700 60.513 -1.813 1
1 1239 . 7 1 1 A 102 102 CYS HA H 102 4.030 4.229 -0.199 1
1 1240 . 7 1 1 A 102 102 CYS CB C 102 24.987 25.989 -1.002 1
1 1243 . 7 1 1 A 102 102 CYS C C 102 174.186 173.890 0.296 1
1 1244 . 7 1 1 A 103 103 ALA N N 103 123.512 121.836 1.676 1
1 1245 . 7 1 1 A 103 103 ALA H H 103 8.175 7.441 0.734 1
1 1246 . 7 1 1 A 103 103 ALA CA C 103 50.841 50.174 0.667 1
1 1247 . 7 1 1 A 103 103 ALA HA H 103 4.458 4.492 -0.034 1
1 1248 . 7 1 1 A 103 103 ALA CB C 103 18.353 19.196 -0.843 1
1 1252 . 7 1 1 A 103 103 ALA C C 103 175.904 176.169 -0.265 1
1 1253 . 7 1 1 A 104 104 PRO CA C 104 64.290 63.744 0.546 1
1 1254 . 7 1 1 A 104 104 PRO HA H 104 4.315 4.320 -0.005 1
1 1255 . 7 1 1 A 104 104 PRO CB C 104 32.028 31.340 0.688 1
1 1264 . 7 1 1 A 104 104 PRO C C 104 178.173 177.716 0.457 1
1 1265 . 7 1 1 A 105 105 GLY N N 105 113.466 112.600 0.866 1
1 1266 . 7 1 1 A 105 105 GLY H H 105 9.036 8.824 0.212 1
1 1267 . 7 1 1 A 105 105 GLY CA C 105 45.935 46.375 -0.440 1
1 1268 . 7 1 1 A 105 105 GLY HA2 H 105 4.044 3.989 0.055 1
1 1269 . 7 1 1 A 105 105 GLY HA3 H 105 3.832 3.991 -0.159 1
1 1270 . 7 1 1 A 105 105 GLY C C 105 174.928 174.040 0.888 1
1 1271 . 7 1 1 A 106 106 VAL N N 106 117.991 117.135 0.856 1
1 1272 . 7 1 1 A 106 106 VAL H H 106 6.964 7.617 -0.653 1
1 1273 . 7 1 1 A 106 106 VAL CA C 106 66.071 63.892 2.179 1
1 1274 . 7 1 1 A 106 106 VAL HA H 106 3.842 4.312 -0.470 1
1 1275 . 7 1 1 A 106 106 VAL CB C 106 31.337 33.695 -2.358 1
1 1285 . 7 1 1 A 106 106 VAL C C 106 178.061 176.653 1.408 1
1 1286 . 7 1 1 A 107 107 VAL N N 107 121.474 120.349 1.125 1
1 1287 . 7 1 1 A 107 107 VAL H H 107 9.039 8.237 0.802 1
1 1288 . 7 1 1 A 107 107 VAL CA C 107 65.971 64.994 0.977 1
1 1289 . 7 1 1 A 107 107 VAL HA H 107 3.743 3.683 0.060 1
1 1290 . 7 1 1 A 107 107 VAL CB C 107 30.959 31.242 -0.283 1
1 1300 . 7 1 1 A 107 107 VAL C C 107 177.629 177.703 -0.074 1
1 1301 . 7 1 1 A 108 108 GLU N N 108 126.242 122.508 3.734 1
1 1302 . 7 1 1 A 108 108 GLU H H 108 11.107 8.284 2.823 1
1 1303 . 7 1 1 A 108 108 GLU CA C 108 62.429 59.521 2.908 1
1 1304 . 7 1 1 A 108 108 GLU HA H 108 3.584 4.101 -0.517 1
1 1305 . 7 1 1 A 108 108 GLU CB C 108 28.863 29.052 -0.189 1
1 1311 . 7 1 1 A 108 108 GLU C C 108 176.878 179.633 -2.755 1
1 1312 . 7 1 1 A 109 109 LEU N N 109 114.111 119.895 -5.784 1
1 1313 . 7 1 1 A 109 109 LEU H H 109 7.474 8.179 -0.705 1
1 1314 . 7 1 1 A 109 109 LEU CA C 109 56.293 57.618 -1.325 1
1 1315 . 7 1 1 A 109 109 LEU HA H 109 4.024 4.091 -0.067 1
1 1316 . 7 1 1 A 109 109 LEU CB C 109 40.846 41.731 -0.885 1
1 1329 . 7 1 1 A 109 109 LEU C C 109 178.647 177.992 0.655 1
1 1330 . 7 1 1 A 110 110 VAL N N 110 116.984 118.135 -1.151 1
1 1331 . 7 1 1 A 110 110 VAL H H 110 7.557 7.717 -0.160 1
1 1332 . 7 1 1 A 110 110 VAL CA C 110 64.274 63.725 0.549 1
1 1333 . 7 1 1 A 110 110 VAL HA H 110 4.206 4.216 -0.010 1
1 1334 . 7 1 1 A 110 110 VAL CB C 110 33.070 32.507 0.563 1
1 1344 . 7 1 1 A 110 110 VAL C C 110 176.435 177.415 -0.980 1
1 1345 . 7 1 1 A 111 111 LEU N N 111 118.461 120.235 -1.774 1
1 1346 . 7 1 1 A 111 111 LEU H H 111 8.453 7.841 0.612 1
1 1347 . 7 1 1 A 111 111 LEU CA C 111 58.047 57.346 0.701 1
1 1348 . 7 1 1 A 111 111 LEU HA H 111 4.003 4.174 -0.171 1
1 1349 . 7 1 1 A 111 111 LEU CB C 111 43.552 41.834 1.718 1
1 1362 . 7 1 1 A 111 111 LEU C C 111 177.274 179.197 -1.923 1
1 1363 . 7 1 1 A 112 112 ILE N N 112 115.835 120.771 -4.936 1
1 1364 . 7 1 1 A 112 112 ILE H H 112 7.850 7.924 -0.074 1
1 1365 . 7 1 1 A 112 112 ILE CA C 112 67.843 66.309 1.534 1
1 1366 . 7 1 1 A 112 112 ILE HA H 112 3.636 3.651 -0.015 1
1 1367 . 7 1 1 A 112 112 ILE CB C 112 36.504 35.663 0.841 1
1 1380 . 7 1 1 A 112 112 ILE C C 112 176.487 175.277 1.210 1
1 1381 . 7 1 1 A 113 113 PRO CA C 113 64.872 65.422 -0.550 1
1 1382 . 7 1 1 A 113 113 PRO HA H 113 4.420 4.334 0.086 1
1 1383 . 7 1 1 A 113 113 PRO CB C 113 30.348 31.113 -0.765 1
1 1392 . 7 1 1 A 113 113 PRO C C 113 179.001 179.093 -0.092 1
1 1393 . 7 1 1 A 114 114 LEU N N 114 120.690 117.938 2.752 1
1 1394 . 7 1 1 A 114 114 LEU H H 114 7.672 7.558 0.114 1
1 1395 . 7 1 1 A 114 114 LEU CA C 114 58.337 57.477 0.860 1
1 1396 . 7 1 1 A 114 114 LEU HA H 114 3.490 3.816 -0.326 1
1 1397 . 7 1 1 A 114 114 LEU CB C 114 41.840 41.633 0.207 1
1 1410 . 7 1 1 A 114 114 LEU C C 114 177.486 178.319 -0.833 1
1 1411 . 7 1 1 A 115 115 ARG N N 115 119.039 119.204 -0.165 1
1 1412 . 7 1 1 A 115 115 ARG H H 115 8.159 7.945 0.214 1
1 1413 . 7 1 1 A 115 115 ARG CA C 115 60.199 59.624 0.575 1
1 1414 . 7 1 1 A 115 115 ARG HA H 115 3.215 3.425 -0.210 1
1 1415 . 7 1 1 A 115 115 ARG CB C 115 28.049 29.253 -1.204 1
1 1426 . 7 1 1 A 115 115 ARG C C 115 177.460 178.521 -1.061 1
1 1427 . 7 1 1 A 116 116 GLN N N 116 115.221 118.168 -2.947 1
1 1428 . 7 1 1 A 116 116 GLN H H 116 6.825 7.817 -0.992 1
1 1429 . 7 1 1 A 116 116 GLN CA C 116 58.838 59.144 -0.306 1
1 1430 . 7 1 1 A 116 116 GLN HA H 116 3.830 3.887 -0.057 1
1 1431 . 7 1 1 A 116 116 GLN CB C 116 27.871 28.185 -0.314 1
1 1440 . 7 1 1 A 116 116 GLN C C 116 178.648 178.833 -0.185 1
1 1441 . 7 1 1 A 117 117 ARG N N 117 118.476 119.398 -0.922 1
1 1442 . 7 1 1 A 117 117 ARG H H 117 8.028 7.520 0.508 1
1 1443 . 7 1 1 A 117 117 ARG CA C 117 57.607 59.193 -1.586 1
1 1444 . 7 1 1 A 117 117 ARG HA H 117 4.117 4.101 0.016 1
1 1445 . 7 1 1 A 117 117 ARG CB C 117 30.040 30.399 -0.359 1
1 1454 . 7 1 1 A 117 117 ARG C C 117 179.370 178.397 0.973 1
1 1455 . 7 1 1 A 118 118 LEU N N 118 120.407 120.231 0.176 1
1 1456 . 7 1 1 A 118 118 LEU H H 118 8.533 8.050 0.483 1
1 1457 . 7 1 1 A 118 118 LEU CA C 118 58.295 57.652 0.643 1
1 1458 . 7 1 1 A 118 118 LEU HA H 118 3.950 4.002 -0.052 1
1 1459 . 7 1 1 A 118 118 LEU CB C 118 40.472 41.008 -0.536 1
1 1472 . 7 1 1 A 118 118 LEU C C 118 178.577 179.172 -0.595 1
1 1473 . 7 1 1 A 119 119 GLU N N 119 116.858 117.527 -0.669 1
1 1474 . 7 1 1 A 119 119 GLU H H 119 8.220 8.244 -0.024 1
1 1475 . 7 1 1 A 119 119 GLU CA C 119 59.441 60.017 -0.576 1
1 1476 . 7 1 1 A 119 119 GLU HA H 119 4.047 4.061 -0.014 1
1 1477 . 7 1 1 A 119 119 GLU CB C 119 29.271 29.271 0.000 1
1 1483 . 7 1 1 A 119 119 GLU C C 119 179.631 179.312 0.319 1
1 1484 . 7 1 1 A 120 120 GLU N N 120 119.797 119.965 -0.168 1
1 1485 . 7 1 1 A 120 120 GLU H H 120 8.199 7.967 0.232 1
1 1486 . 7 1 1 A 120 120 GLU CA C 120 59.223 59.538 -0.315 1
1 1487 . 7 1 1 A 120 120 GLU HA H 120 4.062 4.101 -0.039 1
1 1488 . 7 1 1 A 120 120 GLU CB C 120 29.562 29.133 0.429 1
1 1494 . 7 1 1 A 120 120 GLU C C 120 178.823 179.341 -0.518 1
1 1495 . 7 1 1 A 121 121 ARG N N 121 118.760 119.158 -0.398 1
1 1496 . 7 1 1 A 121 121 ARG H H 121 7.928 8.057 -0.129 1
1 1497 . 7 1 1 A 121 121 ARG CA C 121 58.065 59.601 -1.536 1
1 1498 . 7 1 1 A 121 121 ARG HA H 121 4.136 4.255 -0.119 1
1 1499 . 7 1 1 A 121 121 ARG CB C 121 29.478 30.296 -0.818 1
1 1508 . 7 1 1 A 121 121 ARG C C 121 178.426 178.670 -0.244 1
1 1509 . 7 1 1 A 122 122 GLN N N 122 119.430 119.539 -0.109 1
1 1510 . 7 1 1 A 122 122 GLN H H 122 8.323 8.513 -0.190 1
1 1511 . 7 1 1 A 122 122 GLN CA C 122 58.489 59.066 -0.577 1
1 1512 . 7 1 1 A 122 122 GLN HA H 122 4.352 4.156 0.196 1
1 1513 . 7 1 1 A 122 122 GLN CB C 122 29.611 28.698 0.913 1
1 1522 . 7 1 1 A 122 122 GLN C C 122 177.291 175.514 1.777 1
1 1523 . 7 1 1 A 123 123 ARG N N 123 118.341 115.182 3.159 1
1 1524 . 7 1 1 A 123 123 ARG H H 123 7.920 7.392 0.528 1
1 1525 . 7 1 1 A 123 123 ARG CA C 123 57.695 54.816 2.879 1
1 1526 . 7 1 1 A 123 123 ARG HA H 123 4.266 5.086 -0.820 1
1 1527 . 7 1 1 A 123 123 ARG CB C 123 30.671 33.615 -2.944 1
1 1536 . 7 1 1 A 123 123 ARG C C 123 177.214 175.119 2.095 1
1 1537 . 7 1 1 A 124 124 ARG N N 124 119.452 120.375 -0.923 1
1 1538 . 7 1 1 A 124 124 ARG H H 124 7.850 8.629 -0.779 1
1 1539 . 7 1 1 A 124 124 ARG CA C 124 56.814 54.446 2.368 1
1 1540 . 7 1 1 A 124 124 ARG HA H 124 4.300 5.161 -0.861 1
1 1541 . 7 1 1 A 124 124 ARG CB C 124 30.672 34.034 -3.362 1
1 1550 . 7 1 1 A 124 124 ARG C C 124 176.540 174.787 1.753 1
1 1551 . 7 1 1 A 125 125 ARG N N 125 120.963 123.193 -2.230 1
1 1552 . 7 1 1 A 125 125 ARG H H 125 8.081 8.838 -0.757 1
1 1553 . 7 1 1 A 125 125 ARG CA C 125 56.514 55.237 1.277 1
1 1554 . 7 1 1 A 125 125 ARG HA H 125 4.355 4.685 -0.330 1
1 1555 . 7 1 1 A 125 125 ARG CB C 125 30.694 33.605 -2.911 1
1 1564 . 7 1 1 A 125 125 ARG C C 125 176.133 174.908 1.225 1
1 1565 . 7 1 1 A 126 126 LYS N N 126 122.811 123.604 -0.793 1
1 1566 . 7 1 1 A 126 126 LYS H H 126 8.252 8.757 -0.505 1
1 1567 . 7 1 1 A 126 126 LYS CA C 126 56.430 57.070 -0.640 1
1 1568 . 7 1 1 A 126 126 LYS HA H 126 4.351 3.791 0.560 1
1 1569 . 7 1 1 A 126 126 LYS CB C 126 33.017 29.758 3.259 1
1 1581 . 7 1 1 A 126 126 LYS C C 126 175.649 177.092 -1.443 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.715 58.214 0.501 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.472 4.695 -0.223 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.934 65.644 -1.710 1
1 6 . 8 1 1 A 6 6 SER C C 6 174.927 173.686 1.241 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.435 113.985 -3.550 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.348 8.806 -0.458 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.364 46.948 -1.584 1
1 10 . 8 1 1 A 7 7 GLY HA2 H 7 3.919 3.864 0.055 1
1 11 . 8 1 1 A 7 7 GLY HA3 H 7 3.919 3.864 0.055 1
1 12 . 8 1 1 A 7 7 GLY C C 7 173.952 174.037 -0.085 1
1 13 . 8 1 1 A 8 8 MET N N 8 119.481 118.213 1.268 1
1 14 . 8 1 1 A 8 8 MET H H 8 8.163 7.698 0.465 1
1 15 . 8 1 1 A 8 8 MET CA C 8 55.472 54.416 1.056 1
1 16 . 8 1 1 A 8 8 MET HA H 8 4.486 4.969 -0.483 1
1 17 . 8 1 1 A 8 8 MET CB C 8 33.598 37.412 -3.814 1
1 27 . 8 1 1 A 8 8 MET C C 8 176.019 174.887 1.132 1
1 28 . 8 1 1 A 9 9 ALA N N 9 125.433 125.735 -0.302 1
1 29 . 8 1 1 A 9 9 ALA H H 9 8.436 8.502 -0.066 1
1 30 . 8 1 1 A 9 9 ALA CA C 9 52.481 52.499 -0.018 1
1 31 . 8 1 1 A 9 9 ALA HA H 9 4.381 4.247 0.134 1
1 32 . 8 1 1 A 9 9 ALA CB C 9 19.322 19.052 0.270 1
1 36 . 8 1 1 A 9 9 ALA C C 9 177.349 177.818 -0.469 1
1 37 . 8 1 1 A 10 10 SER N N 10 114.383 117.929 -3.546 1
1 38 . 8 1 1 A 10 10 SER H H 10 8.372 8.355 0.017 1
1 39 . 8 1 1 A 10 10 SER CA C 10 58.607 59.321 -0.714 1
1 40 . 8 1 1 A 10 10 SER HA H 10 4.470 4.441 0.029 1
1 41 . 8 1 1 A 10 10 SER CB C 10 63.979 63.995 -0.016 1
1 44 . 8 1 1 A 10 10 SER C C 10 174.323 174.070 0.253 1
1 45 . 8 1 1 A 11 11 SER N N 11 116.549 119.043 -2.494 1
1 46 . 8 1 1 A 11 11 SER H H 11 8.111 8.888 -0.777 1
1 47 . 8 1 1 A 11 11 SER CA C 11 58.189 55.924 2.265 1
1 48 . 8 1 1 A 11 11 SER HA H 11 4.487 4.960 -0.473 1
1 49 . 8 1 1 A 11 11 SER CB C 11 64.081 66.238 -2.157 1
1 52 . 8 1 1 A 11 11 SER C C 11 173.692 173.543 0.149 1
1 53 . 8 1 1 A 12 12 VAL N N 12 120.502 120.064 0.438 1
1 54 . 8 1 1 A 12 12 VAL H H 12 8.207 8.495 -0.288 1
1 55 . 8 1 1 A 12 12 VAL CA C 12 61.847 63.218 -1.371 1
1 56 . 8 1 1 A 12 12 VAL HA H 12 4.150 3.664 0.486 1
1 57 . 8 1 1 A 12 12 VAL CB C 12 33.269 29.784 3.485 1
1 67 . 8 1 1 A 12 12 VAL C C 12 174.930 174.869 0.061 1
1 68 . 8 1 1 A 13 13 ASP N N 13 124.104 120.560 3.544 1
1 69 . 8 1 1 A 13 13 ASP H H 13 7.953 7.954 -0.001 1
1 70 . 8 1 1 A 13 13 ASP CA C 13 53.249 54.246 -0.997 1
1 71 . 8 1 1 A 13 13 ASP HA H 13 4.661 4.658 0.003 1
1 72 . 8 1 1 A 13 13 ASP CB C 13 41.891 42.081 -0.190 1
1 75 . 8 1 1 A 13 13 ASP C C 13 176.009 177.340 -1.331 1
1 76 . 8 1 1 A 14 14 GLU N N 14 120.197 121.213 -1.016 1
1 77 . 8 1 1 A 14 14 GLU H H 14 8.568 8.914 -0.346 1
1 78 . 8 1 1 A 14 14 GLU CA C 14 59.932 59.612 0.320 1
1 79 . 8 1 1 A 14 14 GLU HA H 14 3.944 3.957 -0.013 1
1 80 . 8 1 1 A 14 14 GLU CB C 14 29.670 29.394 0.276 1
1 86 . 8 1 1 A 14 14 GLU C C 14 178.863 178.412 0.451 1
1 87 . 8 1 1 A 15 15 GLU N N 15 120.713 118.160 2.553 1
1 88 . 8 1 1 A 15 15 GLU H H 15 8.312 8.335 -0.023 1
1 89 . 8 1 1 A 15 15 GLU CA C 15 59.101 59.041 0.060 1
1 90 . 8 1 1 A 15 15 GLU HA H 15 4.244 4.103 0.141 1
1 91 . 8 1 1 A 15 15 GLU CB C 15 28.917 29.410 -0.493 1
1 97 . 8 1 1 A 15 15 GLU C C 15 178.511 178.732 -0.221 1
1 98 . 8 1 1 A 16 16 ALA N N 16 123.041 122.039 1.002 1
1 99 . 8 1 1 A 16 16 ALA H H 16 8.047 8.120 -0.073 1
1 100 . 8 1 1 A 16 16 ALA CA C 16 54.830 55.237 -0.407 1
1 101 . 8 1 1 A 16 16 ALA HA H 16 4.093 4.128 -0.035 1
1 102 . 8 1 1 A 16 16 ALA CB C 16 18.371 18.393 -0.022 1
1 106 . 8 1 1 A 16 16 ALA C C 16 181.428 180.060 1.368 1
1 107 . 8 1 1 A 17 17 LEU N N 17 119.436 118.343 1.093 1
1 108 . 8 1 1 A 17 17 LEU H H 17 8.042 8.145 -0.103 1
1 109 . 8 1 1 A 17 17 LEU CA C 17 57.623 58.248 -0.625 1
1 110 . 8 1 1 A 17 17 LEU HA H 17 3.838 4.019 -0.181 1
1 111 . 8 1 1 A 17 17 LEU CB C 17 41.323 41.832 -0.509 1
1 124 . 8 1 1 A 17 17 LEU C C 17 177.590 178.910 -1.320 1
1 125 . 8 1 1 A 18 18 HIS N N 18 118.394 117.564 0.830 1
1 126 . 8 1 1 A 18 18 HIS H H 18 8.182 8.203 -0.021 1
1 127 . 8 1 1 A 18 18 HIS CA C 18 59.415 60.122 -0.707 1
1 128 . 8 1 1 A 18 18 HIS HA H 18 4.435 4.032 0.403 1
1 129 . 8 1 1 A 18 18 HIS CB C 18 29.560 29.630 -0.070 1
1 136 . 8 1 1 A 18 18 HIS C C 18 178.114 176.832 1.282 1
1 137 . 8 1 1 A 19 19 GLN N N 19 115.623 117.330 -1.707 1
1 138 . 8 1 1 A 19 19 GLN H H 19 8.178 8.303 -0.125 1
1 139 . 8 1 1 A 19 19 GLN CA C 19 58.406 59.261 -0.855 1
1 140 . 8 1 1 A 19 19 GLN HA H 19 3.904 4.032 -0.128 1
1 141 . 8 1 1 A 19 19 GLN CB C 19 28.118 28.318 -0.200 1
1 150 . 8 1 1 A 19 19 GLN C C 19 179.132 178.585 0.547 1
1 151 . 8 1 1 A 20 20 LEU N N 20 122.817 121.513 1.304 1
1 152 . 8 1 1 A 20 20 LEU H H 20 7.949 7.897 0.052 1
1 153 . 8 1 1 A 20 20 LEU CA C 20 58.278 57.836 0.442 1
1 154 . 8 1 1 A 20 20 LEU HA H 20 4.233 4.245 -0.012 1
1 155 . 8 1 1 A 20 20 LEU CB C 20 40.850 41.611 -0.761 1
1 168 . 8 1 1 A 20 20 LEU C C 20 178.466 178.238 0.228 1
1 169 . 8 1 1 A 21 21 TYR N N 21 118.825 118.936 -0.111 1
1 170 . 8 1 1 A 21 21 TYR H H 21 8.376 8.372 0.004 1
1 171 . 8 1 1 A 21 21 TYR CA C 21 60.605 61.608 -1.003 1
1 172 . 8 1 1 A 21 21 TYR HA H 21 4.286 4.372 -0.086 1
1 173 . 8 1 1 A 21 21 TYR CB C 21 36.667 37.413 -0.746 1
1 184 . 8 1 1 A 21 21 TYR C C 21 178.654 178.453 0.201 1
1 185 . 8 1 1 A 22 22 LEU N N 22 118.954 120.924 -1.970 1
1 186 . 8 1 1 A 22 22 LEU H H 22 7.869 7.759 0.110 1
1 187 . 8 1 1 A 22 22 LEU CA C 22 57.887 57.330 0.557 1
1 188 . 8 1 1 A 22 22 LEU HA H 22 4.076 4.112 -0.036 1
1 189 . 8 1 1 A 22 22 LEU CB C 22 42.250 41.922 0.328 1
1 202 . 8 1 1 A 22 22 LEU C C 22 178.877 178.991 -0.114 1
1 203 . 8 1 1 A 23 23 TRP N N 23 120.668 120.249 0.419 1
1 204 . 8 1 1 A 23 23 TRP H H 23 7.804 7.948 -0.144 1
1 205 . 8 1 1 A 23 23 TRP CA C 23 60.711 61.252 -0.541 1
1 206 . 8 1 1 A 23 23 TRP HA H 23 4.436 4.196 0.240 1
1 207 . 8 1 1 A 23 23 TRP CB C 23 28.035 29.614 -1.579 1
1 222 . 8 1 1 A 23 23 TRP C C 23 178.471 178.053 0.418 1
1 223 . 8 1 1 A 24 24 VAL N N 24 116.831 119.306 -2.475 1
1 224 . 8 1 1 A 24 24 VAL H H 24 8.503 7.638 0.865 1
1 225 . 8 1 1 A 24 24 VAL CA C 24 66.014 66.280 -0.266 1
1 226 . 8 1 1 A 24 24 VAL HA H 24 3.084 2.965 0.119 1
1 227 . 8 1 1 A 24 24 VAL CB C 24 31.826 31.413 0.413 1
1 237 . 8 1 1 A 24 24 VAL C C 24 178.212 177.753 0.459 1
1 238 . 8 1 1 A 25 25 ASP N N 25 117.894 120.278 -2.384 1
1 239 . 8 1 1 A 25 25 ASP H H 25 8.140 8.180 -0.040 1
1 240 . 8 1 1 A 25 25 ASP CA C 25 57.043 57.556 -0.513 1
1 241 . 8 1 1 A 25 25 ASP HA H 25 4.290 4.198 0.092 1
1 242 . 8 1 1 A 25 25 ASP CB C 25 41.067 41.106 -0.039 1
1 245 . 8 1 1 A 25 25 ASP C C 25 177.163 177.822 -0.659 1
1 246 . 8 1 1 A 26 26 ASN N N 26 114.914 117.168 -2.254 1
1 247 . 8 1 1 A 26 26 ASN H H 26 7.229 8.294 -1.065 1
1 248 . 8 1 1 A 26 26 ASN CA C 26 53.375 56.747 -3.372 1
1 249 . 8 1 1 A 26 26 ASN HA H 26 4.607 4.486 0.121 1
1 250 . 8 1 1 A 26 26 ASN CB C 26 40.048 39.096 0.952 1
1 256 . 8 1 1 A 26 26 ASN C C 26 174.227 175.892 -1.665 1
1 257 . 8 1 1 A 27 27 ILE N N 27 123.268 119.265 4.003 1
1 258 . 8 1 1 A 27 27 ILE H H 27 7.212 7.297 -0.085 1
1 259 . 8 1 1 A 27 27 ILE CA C 27 58.327 59.842 -1.515 1
1 260 . 8 1 1 A 27 27 ILE HA H 27 3.628 4.213 -0.585 1
1 261 . 8 1 1 A 27 27 ILE CB C 27 39.403 38.151 1.252 1
1 274 . 8 1 1 A 27 27 ILE C C 27 173.764 174.888 -1.124 1
1 275 . 8 1 1 A 28 28 PRO CA C 28 62.584 62.429 0.155 1
1 276 . 8 1 1 A 28 28 PRO HA H 28 4.354 4.727 -0.373 1
1 277 . 8 1 1 A 28 28 PRO CB C 28 30.056 30.047 0.009 1
1 286 . 8 1 1 A 28 28 PRO C C 28 175.419 175.791 -0.372 1
1 287 . 8 1 1 A 29 29 LEU N N 29 125.355 125.218 0.137 1
1 288 . 8 1 1 A 29 29 LEU H H 29 8.118 8.264 -0.146 1
1 289 . 8 1 1 A 29 29 LEU CA C 29 53.358 53.854 -0.496 1
1 290 . 8 1 1 A 29 29 LEU HA H 29 4.748 4.522 0.226 1
1 291 . 8 1 1 A 29 29 LEU CB C 29 45.279 40.568 4.711 1
1 304 . 8 1 1 A 29 29 LEU C C 29 178.577 176.645 1.932 1
1 305 . 8 1 1 A 31 31 ARG CA C 31 53.250 60.896 -7.646 1
1 306 . 8 1 1 A 31 31 ARG HA H 31 4.787 4.049 0.738 1
1 307 . 8 1 1 A 31 31 ARG CB C 31 32.107 28.643 3.464 1
1 316 . 8 1 1 A 32 32 PRO CA C 32 62.865 65.139 -2.274 1
1 317 . 8 1 1 A 32 32 PRO HA H 32 4.300 4.271 0.029 1
1 318 . 8 1 1 A 32 32 PRO CB C 32 32.193 30.639 1.554 1
1 327 . 8 1 1 A 33 33 LYS CA C 33 56.154 57.085 -0.931 1
1 328 . 8 1 1 A 33 33 LYS HA H 33 4.361 3.925 0.436 1
1 329 . 8 1 1 A 33 33 LYS CB C 33 32.368 30.160 2.208 1
1 341 . 8 1 1 A 34 34 ARG N N 34 122.768 120.299 2.469 1
1 342 . 8 1 1 A 34 34 ARG H H 34 8.410 7.628 0.782 1
1 343 . 8 1 1 A 34 34 ARG HA H 34 4.336 4.607 -0.271 1
1 344 . 8 1 1 A 34 34 ARG CB C 34 31.894 33.784 -1.890 1
1 349 . 8 1 1 A 35 35 ASN CA C 35 53.153 53.943 -0.790 1
1 350 . 8 1 1 A 35 35 ASN HA H 35 4.771 4.651 0.120 1
1 351 . 8 1 1 A 35 35 ASN CB C 35 39.425 38.965 0.460 1
1 357 . 8 1 1 A 36 36 LEU N N 36 110.943 123.968 -13.025 1
1 358 . 8 1 1 A 36 36 LEU H H 36 8.305 8.631 -0.326 1
1 359 . 8 1 1 A 36 36 LEU CA C 36 60.191 57.588 2.603 1
1 360 . 8 1 1 A 36 36 LEU HA H 36 4.140 3.586 0.554 1
1 361 . 8 1 1 A 36 36 LEU CB C 36 41.876 41.686 0.190 1
1 374 . 8 1 1 A 37 37 SER CA C 37 61.673 61.827 -0.154 1
1 375 . 8 1 1 A 37 37 SER HA H 37 4.080 4.254 -0.174 1
1 376 . 8 1 1 A 37 37 SER CB C 37 62.700 62.942 -0.242 1
1 379 . 8 1 1 A 38 38 ARG N N 38 119.288 120.961 -1.673 1
1 380 . 8 1 1 A 38 38 ARG H H 38 7.773 8.138 -0.365 1
1 381 . 8 1 1 A 38 38 ARG HA H 38 4.587 4.032 0.555 1
1 384 . 8 1 1 A 39 39 ASP N N 39 121.607 119.872 1.735 1
1 385 . 8 1 1 A 39 39 ASP H H 39 9.487 7.932 1.555 1
1 386 . 8 1 1 A 39 39 ASP CA C 39 58.026 57.068 0.958 1
1 387 . 8 1 1 A 39 39 ASP HA H 39 4.518 4.214 0.304 1
1 388 . 8 1 1 A 39 39 ASP CB C 39 40.039 40.371 -0.332 1
1 391 . 8 1 1 A 40 40 PHE N N 40 115.310 118.649 -3.339 1
1 392 . 8 1 1 A 40 40 PHE H H 40 8.300 8.647 -0.347 1
1 393 . 8 1 1 A 40 40 PHE CA C 40 59.420 60.691 -1.271 1
1 394 . 8 1 1 A 40 40 PHE HA H 40 4.605 4.278 0.327 1
1 395 . 8 1 1 A 40 40 PHE CB C 40 39.030 38.698 0.332 1
1 408 . 8 1 1 A 41 41 SER N N 41 115.417 115.103 0.314 1
1 409 . 8 1 1 A 41 41 SER H H 41 7.441 8.751 -1.310 1
1 410 . 8 1 1 A 41 41 SER CA C 41 62.290 61.788 0.502 1
1 411 . 8 1 1 A 41 41 SER HA H 41 4.341 4.268 0.073 1
1 412 . 8 1 1 A 41 41 SER CB C 41 64.510 63.357 1.153 1
1 415 . 8 1 1 A 42 42 ASP N N 42 117.563 117.323 0.240 1
1 416 . 8 1 1 A 42 42 ASP H H 42 8.726 8.332 0.394 1
1 417 . 8 1 1 A 42 42 ASP CA C 42 53.746 53.799 -0.053 1
1 418 . 8 1 1 A 42 42 ASP HA H 42 4.780 4.724 0.056 1
1 419 . 8 1 1 A 42 42 ASP CB C 42 42.695 41.233 1.462 1
1 422 . 8 1 1 A 42 42 ASP C C 42 176.013 176.278 -0.265 1
1 423 . 8 1 1 A 43 43 GLY N N 43 106.643 109.128 -2.485 1
1 424 . 8 1 1 A 43 43 GLY H H 43 7.388 8.626 -1.238 1
1 425 . 8 1 1 A 43 43 GLY CA C 43 45.230 46.799 -1.569 1
1 426 . 8 1 1 A 43 43 GLY HA2 H 43 3.131 2.988 0.143 1
1 427 . 8 1 1 A 43 43 GLY HA3 H 43 2.588 3.223 -0.635 1
1 428 . 8 1 1 A 43 43 GLY C C 43 173.476 175.430 -1.954 1
1 429 . 8 1 1 A 44 44 VAL N N 44 121.300 122.095 -0.795 1
1 430 . 8 1 1 A 44 44 VAL H H 44 7.874 8.058 -0.184 1
1 431 . 8 1 1 A 44 44 VAL CA C 44 67.198 65.790 1.408 1
1 432 . 8 1 1 A 44 44 VAL HA H 44 3.018 3.555 -0.537 1
1 433 . 8 1 1 A 44 44 VAL CB C 44 31.139 31.619 -0.480 1
1 443 . 8 1 1 A 44 44 VAL C C 44 177.853 178.094 -0.241 1
1 444 . 8 1 1 A 45 45 LEU N N 45 114.495 120.650 -6.155 1
1 445 . 8 1 1 A 45 45 LEU H H 45 8.945 8.224 0.721 1
1 446 . 8 1 1 A 45 45 LEU CA C 45 57.466 58.294 -0.828 1
1 447 . 8 1 1 A 45 45 LEU HA H 45 3.838 3.963 -0.125 1
1 448 . 8 1 1 A 45 45 LEU CB C 45 40.503 41.929 -1.426 1
1 461 . 8 1 1 A 45 45 LEU C C 45 179.257 178.613 0.644 1
1 462 . 8 1 1 A 46 46 VAL N N 46 118.354 119.425 -1.071 1
1 463 . 8 1 1 A 46 46 VAL H H 46 7.422 7.826 -0.404 1
1 464 . 8 1 1 A 46 46 VAL CA C 46 67.288 66.369 0.919 1
1 465 . 8 1 1 A 46 46 VAL HA H 46 3.469 3.640 -0.171 1
1 466 . 8 1 1 A 46 46 VAL CB C 46 30.173 31.655 -1.482 1
1 476 . 8 1 1 A 46 46 VAL C C 46 176.954 178.115 -1.161 1
1 477 . 8 1 1 A 47 47 ALA N N 47 121.963 122.250 -0.287 1
1 478 . 8 1 1 A 47 47 ALA H H 47 7.272 7.935 -0.663 1
1 479 . 8 1 1 A 47 47 ALA CA C 47 55.991 55.735 0.256 1
1 480 . 8 1 1 A 47 47 ALA HA H 47 3.576 3.893 -0.317 1
1 481 . 8 1 1 A 47 47 ALA CB C 47 17.292 18.329 -1.037 1
1 485 . 8 1 1 A 47 47 ALA C C 47 178.880 180.060 -1.180 1
1 486 . 8 1 1 A 48 48 GLU N N 48 116.763 118.558 -1.795 1
1 487 . 8 1 1 A 48 48 GLU H H 48 8.081 8.347 -0.266 1
1 488 . 8 1 1 A 48 48 GLU CA C 48 60.605 59.385 1.220 1
1 489 . 8 1 1 A 48 48 GLU HA H 48 3.851 4.060 -0.209 1
1 490 . 8 1 1 A 48 48 GLU CB C 48 30.467 29.430 1.037 1
1 496 . 8 1 1 A 48 48 GLU C C 48 180.175 179.769 0.406 1
1 497 . 8 1 1 A 49 49 VAL N N 49 122.024 120.156 1.868 1
1 498 . 8 1 1 A 49 49 VAL H H 49 8.325 7.887 0.438 1
1 499 . 8 1 1 A 49 49 VAL CA C 49 67.146 65.653 1.493 1
1 500 . 8 1 1 A 49 49 VAL HA H 49 3.530 3.731 -0.201 1
1 501 . 8 1 1 A 49 49 VAL CB C 49 31.543 31.883 -0.340 1
1 511 . 8 1 1 A 49 49 VAL C C 49 177.168 178.638 -1.470 1
1 512 . 8 1 1 A 50 50 ILE N N 50 117.821 121.049 -3.228 1
1 513 . 8 1 1 A 50 50 ILE H H 50 7.947 8.060 -0.113 1
1 514 . 8 1 1 A 50 50 ILE CA C 50 66.217 64.785 1.432 1
1 515 . 8 1 1 A 50 50 ILE HA H 50 3.757 4.006 -0.249 1
1 516 . 8 1 1 A 50 50 ILE CB C 50 37.952 36.652 1.300 1
1 529 . 8 1 1 A 50 50 ILE C C 50 177.890 177.922 -0.032 1
1 530 . 8 1 1 A 51 51 LYS N N 51 121.589 121.470 0.119 1
1 531 . 8 1 1 A 51 51 LYS H H 51 8.790 8.009 0.781 1
1 532 . 8 1 1 A 51 51 LYS CA C 51 58.277 59.659 -1.382 1
1 533 . 8 1 1 A 51 51 LYS HA H 51 3.816 4.044 -0.228 1
1 534 . 8 1 1 A 51 51 LYS CB C 51 32.898 32.231 0.667 1
1 546 . 8 1 1 A 51 51 LYS C C 51 176.668 178.644 -1.976 1
1 547 . 8 1 1 A 52 52 PHE N N 52 117.622 120.464 -2.842 1
1 548 . 8 1 1 A 52 52 PHE H H 52 7.768 8.164 -0.396 1
1 549 . 8 1 1 A 52 52 PHE CA C 52 60.585 61.324 -0.739 1
1 550 . 8 1 1 A 52 52 PHE HA H 52 4.090 4.152 -0.062 1
1 551 . 8 1 1 A 52 52 PHE CB C 52 38.775 38.949 -0.174 1
1 564 . 8 1 1 A 52 52 PHE C C 52 176.831 176.742 0.089 1
1 565 . 8 1 1 A 53 53 TYR N N 53 115.876 116.714 -0.838 1
1 566 . 8 1 1 A 53 53 TYR H H 53 7.346 8.164 -0.818 1
1 567 . 8 1 1 A 53 53 TYR CA C 53 61.264 60.135 1.129 1
1 568 . 8 1 1 A 53 53 TYR HA H 53 3.697 4.308 -0.611 1
1 569 . 8 1 1 A 53 53 TYR CB C 53 41.522 38.922 2.600 1
1 580 . 8 1 1 A 53 53 TYR C C 53 175.972 174.812 1.160 1
1 581 . 8 1 1 A 54 54 PHE N N 54 116.478 116.067 0.411 1
1 582 . 8 1 1 A 54 54 PHE H H 54 8.877 8.279 0.598 1
1 583 . 8 1 1 A 54 54 PHE CA C 54 55.553 55.346 0.207 1
1 584 . 8 1 1 A 54 54 PHE HA H 54 5.173 5.116 0.057 1
1 585 . 8 1 1 A 54 54 PHE CB C 54 40.841 41.209 -0.368 1
1 598 . 8 1 1 A 54 54 PHE C C 54 173.424 174.931 -1.507 1
1 599 . 8 1 1 A 55 55 PRO CA C 55 65.147 65.764 -0.617 1
1 600 . 8 1 1 A 55 55 PRO HA H 55 4.591 4.389 0.202 1
1 601 . 8 1 1 A 55 55 PRO CB C 55 32.014 31.956 0.058 1
1 610 . 8 1 1 A 55 55 PRO C C 55 179.255 179.204 0.051 1
1 611 . 8 1 1 A 56 56 LYS N N 56 113.672 118.683 -5.011 1
1 612 . 8 1 1 A 56 56 LYS H H 56 8.639 8.342 0.297 1
1 613 . 8 1 1 A 56 56 LYS CA C 56 56.918 59.717 -2.799 1
1 614 . 8 1 1 A 56 56 LYS HA H 56 4.384 4.033 0.351 1
1 615 . 8 1 1 A 56 56 LYS CB C 56 31.868 32.279 -0.411 1
1 627 . 8 1 1 A 56 56 LYS C C 56 178.220 179.354 -1.134 1
1 628 . 8 1 1 A 57 57 MET N N 57 116.692 119.400 -2.708 1
1 629 . 8 1 1 A 57 57 MET H H 57 8.099 8.239 -0.140 1
1 630 . 8 1 1 A 57 57 MET CA C 57 57.537 58.733 -1.196 1
1 631 . 8 1 1 A 57 57 MET HA H 57 4.260 4.181 0.079 1
1 632 . 8 1 1 A 57 57 MET CB C 57 35.400 32.292 3.108 1
1 642 . 8 1 1 A 57 57 MET C C 57 174.856 177.201 -2.345 1
1 643 . 8 1 1 A 58 58 VAL N N 58 114.727 118.993 -4.266 1
1 644 . 8 1 1 A 58 58 VAL H H 58 6.872 7.742 -0.870 1
1 645 . 8 1 1 A 58 58 VAL CA C 58 60.834 63.079 -2.245 1
1 646 . 8 1 1 A 58 58 VAL HA H 58 4.421 4.093 0.328 1
1 647 . 8 1 1 A 58 58 VAL CB C 58 36.223 32.281 3.942 1
1 657 . 8 1 1 A 58 58 VAL C C 58 173.747 175.337 -1.590 1
1 658 . 8 1 1 A 59 59 GLU N N 59 127.314 128.219 -0.905 1
1 659 . 8 1 1 A 59 59 GLU H H 59 8.783 9.031 -0.248 1
1 660 . 8 1 1 A 59 59 GLU CA C 59 54.465 55.292 -0.827 1
1 661 . 8 1 1 A 59 59 GLU HA H 59 4.671 4.861 -0.190 1
1 662 . 8 1 1 A 59 59 GLU CB C 59 30.020 31.891 -1.871 1
1 668 . 8 1 1 A 59 59 GLU C C 59 176.450 175.462 0.988 1
1 669 . 8 1 1 A 60 60 MET N N 60 122.273 125.606 -3.333 1
1 670 . 8 1 1 A 60 60 MET H H 60 9.004 8.924 0.080 1
1 671 . 8 1 1 A 60 60 MET CA C 60 55.751 54.853 0.898 1
1 672 . 8 1 1 A 60 60 MET HA H 60 4.613 4.866 -0.253 1
1 673 . 8 1 1 A 60 60 MET CB C 60 29.356 31.114 -1.758 1
1 683 . 8 1 1 A 60 60 MET C C 60 178.387 176.411 1.976 1
1 684 . 8 1 1 A 61 61 HIS N N 61 115.823 118.338 -2.515 1
1 685 . 8 1 1 A 61 61 HIS H H 61 8.198 8.252 -0.054 1
1 686 . 8 1 1 A 61 61 HIS CA C 61 57.963 56.800 1.163 1
1 687 . 8 1 1 A 61 61 HIS HA H 61 4.341 4.740 -0.399 1
1 688 . 8 1 1 A 61 61 HIS CB C 61 29.235 31.475 -2.240 1
1 695 . 8 1 1 A 61 61 HIS C C 61 175.800 176.548 -0.748 1
1 696 . 8 1 1 A 62 62 ASN N N 62 115.093 115.375 -0.282 1
1 697 . 8 1 1 A 62 62 ASN H H 62 6.895 7.807 -0.912 1
1 698 . 8 1 1 A 62 62 ASN CA C 62 54.503 55.234 -0.731 1
1 699 . 8 1 1 A 62 62 ASN HA H 62 3.872 4.604 -0.732 1
1 700 . 8 1 1 A 62 62 ASN CB C 62 38.749 38.842 -0.093 1
1 706 . 8 1 1 A 62 62 ASN C C 62 173.014 175.107 -2.093 1
1 707 . 8 1 1 A 63 63 TYR N N 63 118.560 119.468 -0.908 1
1 708 . 8 1 1 A 63 63 TYR H H 63 7.255 7.222 0.033 1
1 709 . 8 1 1 A 63 63 TYR CA C 63 56.311 58.964 -2.653 1
1 710 . 8 1 1 A 63 63 TYR HA H 63 4.481 4.650 -0.169 1
1 711 . 8 1 1 A 63 63 TYR CB C 63 39.138 39.193 -0.055 1
1 722 . 8 1 1 A 63 63 TYR C C 63 173.223 176.198 -2.975 1
1 723 . 8 1 1 A 64 64 VAL N N 64 122.318 121.438 0.880 1
1 724 . 8 1 1 A 64 64 VAL H H 64 7.750 8.634 -0.884 1
1 725 . 8 1 1 A 64 64 VAL CA C 64 58.601 58.982 -0.381 1
1 726 . 8 1 1 A 64 64 VAL HA H 64 4.469 4.654 -0.185 1
1 727 . 8 1 1 A 64 64 VAL CB C 64 33.747 35.577 -1.830 1
1 737 . 8 1 1 A 64 64 VAL C C 64 173.983 173.639 0.344 1
1 738 . 8 1 1 A 65 65 PRO CA C 65 63.212 62.514 0.698 1
1 739 . 8 1 1 A 65 65 PRO HA H 65 4.348 4.728 -0.380 1
1 740 . 8 1 1 A 65 65 PRO CB C 65 31.279 31.817 -0.538 1
1 749 . 8 1 1 A 65 65 PRO C C 65 176.821 175.837 0.984 1
1 750 . 8 1 1 A 66 66 ALA N N 66 125.896 126.302 -0.406 1
1 751 . 8 1 1 A 66 66 ALA H H 66 8.563 8.623 -0.060 1
1 752 . 8 1 1 A 66 66 ALA CA C 66 52.003 50.283 1.720 1
1 753 . 8 1 1 A 66 66 ALA HA H 66 4.651 4.942 -0.291 1
1 754 . 8 1 1 A 66 66 ALA CB C 66 24.137 23.265 0.872 1
1 758 . 8 1 1 A 66 66 ALA C C 66 176.244 176.557 -0.313 1
1 759 . 8 1 1 A 67 67 ASN CA C 67 52.862 52.995 -0.133 1
1 760 . 8 1 1 A 67 67 ASN HA H 67 4.988 5.098 -0.110 1
1 761 . 8 1 1 A 67 67 ASN CB C 67 40.168 39.326 0.842 1
1 767 . 8 1 1 A 67 67 ASN C C 67 174.896 173.908 0.988 1
1 768 . 8 1 1 A 68 68 SER N N 68 114.553 116.874 -2.321 1
1 769 . 8 1 1 A 68 68 SER H H 68 7.777 7.674 0.103 1
1 770 . 8 1 1 A 68 68 SER CA C 68 56.741 55.802 0.939 1
1 771 . 8 1 1 A 68 68 SER HA H 68 4.737 4.787 -0.050 1
1 772 . 8 1 1 A 68 68 SER CB C 68 65.267 64.897 0.370 1
1 775 . 8 1 1 A 68 68 SER C C 68 174.542 174.963 -0.421 1
1 776 . 8 1 1 A 69 69 LEU CA C 69 59.000 59.117 -0.117 1
1 777 . 8 1 1 A 69 69 LEU HA H 69 3.961 3.975 -0.014 1
1 778 . 8 1 1 A 69 69 LEU CB C 69 41.679 42.029 -0.350 1
1 791 . 8 1 1 A 69 69 LEU C C 69 178.629 178.475 0.154 1
1 792 . 8 1 1 A 70 70 GLN N N 70 115.924 117.620 -1.696 1
1 793 . 8 1 1 A 70 70 GLN H H 70 8.785 8.340 0.445 1
1 794 . 8 1 1 A 70 70 GLN CA C 70 59.728 59.441 0.287 1
1 795 . 8 1 1 A 70 70 GLN HA H 70 3.977 3.924 0.053 1
1 796 . 8 1 1 A 70 70 GLN CB C 70 27.912 28.386 -0.474 1
1 805 . 8 1 1 A 70 70 GLN C C 70 178.954 178.754 0.200 1
1 806 . 8 1 1 A 71 71 GLN N N 71 118.694 119.078 -0.384 1
1 807 . 8 1 1 A 71 71 GLN H H 71 7.780 8.114 -0.334 1
1 808 . 8 1 1 A 71 71 GLN CA C 71 58.233 58.980 -0.747 1
1 809 . 8 1 1 A 71 71 GLN HA H 71 4.219 3.978 0.241 1
1 810 . 8 1 1 A 71 71 GLN CB C 71 29.089 28.222 0.867 1
1 819 . 8 1 1 A 71 71 GLN C C 71 178.724 178.600 0.124 1
1 820 . 8 1 1 A 72 72 LYS N N 72 119.661 119.731 -0.070 1
1 821 . 8 1 1 A 72 72 LYS H H 72 8.094 8.363 -0.269 1
1 822 . 8 1 1 A 72 72 LYS CA C 72 61.528 59.488 2.040 1
1 823 . 8 1 1 A 72 72 LYS HA H 72 4.206 4.013 0.193 1
1 824 . 8 1 1 A 72 72 LYS CB C 72 33.806 32.336 1.470 1
1 836 . 8 1 1 A 72 72 LYS C C 72 179.041 179.278 -0.237 1
1 837 . 8 1 1 A 73 73 LEU N N 73 117.098 120.536 -3.438 1
1 838 . 8 1 1 A 73 73 LEU H H 73 8.602 8.167 0.435 1
1 839 . 8 1 1 A 73 73 LEU CA C 73 58.118 57.978 0.140 1
1 840 . 8 1 1 A 73 73 LEU HA H 73 4.287 4.213 0.074 1
1 841 . 8 1 1 A 73 73 LEU CB C 73 40.831 41.485 -0.654 1
1 854 . 8 1 1 A 73 73 LEU C C 73 180.838 178.920 1.918 1
1 855 . 8 1 1 A 74 74 SER N N 74 118.060 113.875 4.185 1
1 856 . 8 1 1 A 74 74 SER H H 74 8.334 8.411 -0.077 1
1 857 . 8 1 1 A 74 74 SER CA C 74 61.971 61.758 0.213 1
1 858 . 8 1 1 A 74 74 SER HA H 74 4.431 4.157 0.274 1
1 859 . 8 1 1 A 74 74 SER CB C 74 62.560 63.100 -0.540 1
1 862 . 8 1 1 A 74 74 SER C C 74 177.493 177.208 0.285 1
1 863 . 8 1 1 A 75 75 ASN N N 75 121.688 118.957 2.731 1
1 864 . 8 1 1 A 75 75 ASN H H 75 8.266 7.998 0.268 1
1 865 . 8 1 1 A 75 75 ASN CA C 75 56.090 56.461 -0.371 1
1 866 . 8 1 1 A 75 75 ASN HA H 75 4.739 4.487 0.252 1
1 867 . 8 1 1 A 75 75 ASN CB C 75 38.184 38.255 -0.071 1
1 873 . 8 1 1 A 75 75 ASN C C 75 177.792 178.212 -0.420 1
1 874 . 8 1 1 A 76 76 TRP N N 76 118.943 120.406 -1.463 1
1 875 . 8 1 1 A 76 76 TRP H H 76 8.510 8.037 0.473 1
1 876 . 8 1 1 A 76 76 TRP CA C 76 62.294 59.383 2.911 1
1 877 . 8 1 1 A 76 76 TRP HA H 76 4.173 4.219 -0.046 1
1 878 . 8 1 1 A 76 76 TRP CB C 76 29.223 28.996 0.227 1
1 893 . 8 1 1 A 76 76 TRP C C 76 178.579 179.248 -0.669 1
1 894 . 8 1 1 A 77 77 GLY N N 77 107.789 107.712 0.077 1
1 895 . 8 1 1 A 77 77 GLY H H 77 8.954 8.935 0.019 1
1 896 . 8 1 1 A 77 77 GLY CA C 77 47.600 47.720 -0.120 1
1 897 . 8 1 1 A 77 77 GLY HA2 H 77 4.122 3.817 0.305 1
1 898 . 8 1 1 A 77 77 GLY HA3 H 77 3.977 3.831 0.146 1
1 899 . 8 1 1 A 77 77 GLY C C 77 176.076 177.049 -0.973 1
1 900 . 8 1 1 A 78 78 HIS N N 78 122.925 120.224 2.701 1
1 901 . 8 1 1 A 78 78 HIS H H 78 8.127 8.096 0.031 1
1 902 . 8 1 1 A 78 78 HIS CA C 78 61.550 58.552 2.998 1
1 903 . 8 1 1 A 78 78 HIS HA H 78 4.206 4.834 -0.628 1
1 904 . 8 1 1 A 78 78 HIS CB C 78 30.794 29.846 0.948 1
1 911 . 8 1 1 A 78 78 HIS C C 78 177.572 178.053 -0.481 1
1 912 . 8 1 1 A 79 79 LEU N N 79 120.009 121.249 -1.240 1
1 913 . 8 1 1 A 79 79 LEU H H 79 8.726 8.635 0.091 1
1 914 . 8 1 1 A 79 79 LEU CA C 79 58.252 57.810 0.442 1
1 915 . 8 1 1 A 79 79 LEU HA H 79 4.227 4.061 0.166 1
1 916 . 8 1 1 A 79 79 LEU CB C 79 43.075 40.990 2.085 1
1 929 . 8 1 1 A 79 79 LEU C C 79 181.067 178.912 2.155 1
1 930 . 8 1 1 A 80 80 ASN N N 80 119.257 117.328 1.929 1
1 931 . 8 1 1 A 80 80 ASN H H 80 9.270 8.191 1.079 1
1 932 . 8 1 1 A 80 80 ASN CA C 80 57.279 56.083 1.196 1
1 933 . 8 1 1 A 80 80 ASN HA H 80 4.595 4.557 0.038 1
1 934 . 8 1 1 A 80 80 ASN CB C 80 40.403 38.477 1.926 1
1 940 . 8 1 1 A 80 80 ASN C C 80 177.177 176.516 0.661 1
1 941 . 8 1 1 A 81 81 ARG N N 81 115.731 117.227 -1.496 1
1 942 . 8 1 1 A 81 81 ARG H H 81 8.085 7.933 0.152 1
1 943 . 8 1 1 A 81 81 ARG CA C 81 59.249 55.819 3.430 1
1 944 . 8 1 1 A 81 81 ARG HA H 81 4.167 4.567 -0.400 1
1 945 . 8 1 1 A 81 81 ARG CB C 81 31.579 30.831 0.748 1
1 954 . 8 1 1 A 81 81 ARG C C 81 177.890 176.836 1.054 1
1 955 . 8 1 1 A 82 82 LYS N N 82 113.840 117.397 -3.557 1
1 956 . 8 1 1 A 82 82 LYS H H 82 8.691 7.556 1.135 1
1 957 . 8 1 1 A 82 82 LYS CA C 82 56.216 56.701 -0.485 1
1 958 . 8 1 1 A 82 82 LYS HA H 82 4.441 4.470 -0.029 1
1 959 . 8 1 1 A 82 82 LYS CB C 82 32.964 34.566 -1.602 1
1 971 . 8 1 1 A 82 82 LYS C C 82 177.543 176.976 0.567 1
1 972 . 8 1 1 A 83 83 VAL N N 83 117.873 117.283 0.590 1
1 973 . 8 1 1 A 83 83 VAL H H 83 7.786 8.327 -0.541 1
1 974 . 8 1 1 A 83 83 VAL CA C 83 64.939 63.871 1.068 1
1 975 . 8 1 1 A 83 83 VAL HA H 83 4.235 4.235 0.000 1
1 976 . 8 1 1 A 83 83 VAL CB C 83 34.046 32.588 1.458 1
1 986 . 8 1 1 A 83 83 VAL C C 83 176.945 177.706 -0.761 1
1 987 . 8 1 1 A 84 84 LEU N N 84 118.163 120.336 -2.173 1
1 988 . 8 1 1 A 84 84 LEU H H 84 9.200 8.265 0.935 1
1 989 . 8 1 1 A 84 84 LEU CA C 84 58.824 58.091 0.733 1
1 990 . 8 1 1 A 84 84 LEU HA H 84 3.898 3.929 -0.031 1
1 991 . 8 1 1 A 84 84 LEU CB C 84 38.418 41.858 -3.440 1
1 1004 . 8 1 1 A 84 84 LEU C C 84 179.874 178.933 0.941 1
1 1005 . 8 1 1 A 85 85 LYS N N 85 117.114 118.868 -1.754 1
1 1006 . 8 1 1 A 85 85 LYS H H 85 7.303 8.092 -0.789 1
1 1007 . 8 1 1 A 85 85 LYS CA C 85 59.436 59.963 -0.527 1
1 1008 . 8 1 1 A 85 85 LYS HA H 85 4.191 3.970 0.221 1
1 1009 . 8 1 1 A 85 85 LYS CB C 85 33.096 32.485 0.611 1
1 1021 . 8 1 1 A 85 85 LYS C C 85 180.286 178.938 1.348 1
1 1022 . 8 1 1 A 86 86 ARG N N 86 117.181 119.020 -1.839 1
1 1023 . 8 1 1 A 86 86 ARG H H 86 7.216 8.079 -0.863 1
1 1024 . 8 1 1 A 86 86 ARG CA C 86 57.924 58.987 -1.063 1
1 1025 . 8 1 1 A 86 86 ARG HA H 86 4.191 4.036 0.155 1
1 1026 . 8 1 1 A 86 86 ARG CB C 86 29.848 29.994 -0.146 1
1 1035 . 8 1 1 A 86 86 ARG C C 86 177.047 178.114 -1.067 1
1 1036 . 8 1 1 A 87 87 LEU N N 87 118.282 117.949 0.333 1
1 1037 . 8 1 1 A 87 87 LEU H H 87 7.584 8.182 -0.598 1
1 1038 . 8 1 1 A 87 87 LEU CA C 87 53.603 54.640 -1.037 1
1 1039 . 8 1 1 A 87 87 LEU HA H 87 4.339 4.425 -0.086 1
1 1040 . 8 1 1 A 87 87 LEU CB C 87 42.059 41.957 0.102 1
1 1053 . 8 1 1 A 87 87 LEU C C 87 175.182 175.565 -0.383 1
1 1054 . 8 1 1 A 88 88 ASN N N 88 115.016 115.150 -0.134 1
1 1055 . 8 1 1 A 88 88 ASN H H 88 7.932 7.981 -0.049 1
1 1056 . 8 1 1 A 88 88 ASN CA C 88 54.081 54.331 -0.250 1
1 1057 . 8 1 1 A 88 88 ASN HA H 88 4.384 4.388 -0.004 1
1 1058 . 8 1 1 A 88 88 ASN CB C 88 36.809 36.946 -0.137 1
1 1064 . 8 1 1 A 88 88 ASN C C 88 173.426 173.616 -0.190 1
1 1065 . 8 1 1 A 89 89 PHE N N 89 119.795 118.963 0.832 1
1 1066 . 8 1 1 A 89 89 PHE H H 89 7.739 7.959 -0.220 1
1 1067 . 8 1 1 A 89 89 PHE CA C 89 56.231 57.167 -0.936 1
1 1068 . 8 1 1 A 89 89 PHE HA H 89 4.887 4.932 -0.045 1
1 1069 . 8 1 1 A 89 89 PHE CB C 89 43.188 42.475 0.713 1
1 1082 . 8 1 1 A 89 89 PHE C C 89 172.386 173.951 -1.565 1
1 1083 . 8 1 1 A 90 90 SER N N 90 117.020 121.587 -4.567 1
1 1084 . 8 1 1 A 90 90 SER H H 90 7.301 8.459 -1.158 1
1 1085 . 8 1 1 A 90 90 SER CA C 90 56.762 56.731 0.031 1
1 1086 . 8 1 1 A 90 90 SER HA H 90 4.667 5.339 -0.672 1
1 1087 . 8 1 1 A 90 90 SER CB C 90 64.885 66.612 -1.727 1
1 1090 . 8 1 1 A 90 90 SER C C 90 172.726 173.180 -0.454 1
1 1091 . 8 1 1 A 91 91 VAL N N 91 126.604 121.943 4.661 1
1 1092 . 8 1 1 A 91 91 VAL H H 91 8.959 8.820 0.139 1
1 1093 . 8 1 1 A 91 91 VAL CA C 91 59.173 59.016 0.157 1
1 1094 . 8 1 1 A 91 91 VAL HA H 91 4.336 4.631 -0.295 1
1 1095 . 8 1 1 A 91 91 VAL CB C 91 33.703 35.907 -2.204 1
1 1105 . 8 1 1 A 91 91 VAL C C 91 173.886 173.549 0.337 1
1 1106 . 8 1 1 A 92 92 PRO CA C 92 62.618 62.559 0.059 1
1 1107 . 8 1 1 A 92 92 PRO HA H 92 4.481 4.601 -0.120 1
1 1108 . 8 1 1 A 92 92 PRO CB C 92 33.302 33.125 0.177 1
1 1117 . 8 1 1 A 92 92 PRO C C 92 177.410 176.530 0.880 1
1 1118 . 8 1 1 A 93 93 ASP N N 93 123.319 121.773 1.546 1
1 1119 . 8 1 1 A 93 93 ASP H H 93 8.854 8.728 0.126 1
1 1120 . 8 1 1 A 93 93 ASP CA C 93 58.347 57.583 0.764 1
1 1121 . 8 1 1 A 93 93 ASP HA H 93 4.298 4.331 -0.033 1
1 1122 . 8 1 1 A 93 93 ASP CB C 93 40.916 40.587 0.329 1
1 1125 . 8 1 1 A 93 93 ASP C C 93 178.221 178.030 0.191 1
1 1126 . 8 1 1 A 94 94 ASP N N 94 116.740 118.761 -2.021 1
1 1127 . 8 1 1 A 94 94 ASP H H 94 8.955 8.425 0.530 1
1 1128 . 8 1 1 A 94 94 ASP CA C 94 56.851 56.778 0.073 1
1 1129 . 8 1 1 A 94 94 ASP HA H 94 4.222 4.391 -0.169 1
1 1130 . 8 1 1 A 94 94 ASP CB C 94 39.733 40.351 -0.618 1
1 1133 . 8 1 1 A 94 94 ASP C C 94 178.344 178.560 -0.216 1
1 1134 . 8 1 1 A 95 95 VAL N N 95 121.559 120.302 1.257 1
1 1135 . 8 1 1 A 95 95 VAL H H 95 6.935 8.005 -1.070 1
1 1136 . 8 1 1 A 95 95 VAL CA C 95 66.007 66.496 -0.489 1
1 1137 . 8 1 1 A 95 95 VAL HA H 95 3.378 3.413 -0.035 1
1 1138 . 8 1 1 A 95 95 VAL CB C 95 31.712 31.431 0.281 1
1 1148 . 8 1 1 A 95 95 VAL C C 95 177.153 177.714 -0.561 1
1 1149 . 8 1 1 A 96 96 MET N N 96 118.492 117.289 1.203 1
1 1150 . 8 1 1 A 96 96 MET H H 96 7.993 8.005 -0.012 1
1 1151 . 8 1 1 A 96 96 MET CA C 96 60.318 58.523 1.795 1
1 1152 . 8 1 1 A 96 96 MET HA H 96 3.037 3.807 -0.770 1
1 1153 . 8 1 1 A 96 96 MET CB C 96 33.348 32.229 1.119 1
1 1163 . 8 1 1 A 96 96 MET C C 96 176.993 178.749 -1.756 1
1 1164 . 8 1 1 A 97 97 ARG N N 97 116.593 118.950 -2.357 1
1 1165 . 8 1 1 A 97 97 ARG H H 97 7.668 8.259 -0.591 1
1 1166 . 8 1 1 A 97 97 ARG CA C 97 60.372 59.840 0.532 1
1 1167 . 8 1 1 A 97 97 ARG HA H 97 3.772 3.858 -0.086 1
1 1168 . 8 1 1 A 97 97 ARG CB C 97 29.627 29.870 -0.243 1
1 1177 . 8 1 1 A 97 97 ARG C C 97 177.718 178.975 -1.257 1
1 1178 . 8 1 1 A 98 98 LYS N N 98 118.000 119.313 -1.313 1
1 1179 . 8 1 1 A 98 98 LYS H H 98 7.279 7.370 -0.091 1
1 1180 . 8 1 1 A 98 98 LYS CA C 98 59.942 58.992 0.950 1
1 1181 . 8 1 1 A 98 98 LYS HA H 98 4.035 3.983 0.052 1
1 1182 . 8 1 1 A 98 98 LYS CB C 98 33.307 32.583 0.724 1
1 1194 . 8 1 1 A 98 98 LYS C C 98 178.861 178.875 -0.014 1
1 1195 . 8 1 1 A 99 99 ILE N N 99 119.736 120.909 -1.173 1
1 1196 . 8 1 1 A 99 99 ILE H H 99 8.298 7.806 0.492 1
1 1197 . 8 1 1 A 99 99 ILE CA C 99 65.451 65.532 -0.081 1
1 1198 . 8 1 1 A 99 99 ILE HA H 99 3.473 3.429 0.044 1
1 1199 . 8 1 1 A 99 99 ILE CB C 99 38.088 37.265 0.823 1
1 1212 . 8 1 1 A 99 99 ILE C C 99 181.472 177.760 3.712 1
1 1213 . 8 1 1 A 100 100 ALA N N 100 124.832 121.344 3.488 1
1 1214 . 8 1 1 A 100 100 ALA H H 100 8.473 7.755 0.718 1
1 1215 . 8 1 1 A 100 100 ALA CA C 100 54.623 54.133 0.490 1
1 1216 . 8 1 1 A 100 100 ALA HA H 100 4.481 4.206 0.275 1
1 1217 . 8 1 1 A 100 100 ALA CB C 100 19.106 18.294 0.812 1
1 1221 . 8 1 1 A 100 100 ALA C C 100 177.755 178.349 -0.594 1
1 1222 . 8 1 1 A 101 101 GLN N N 101 113.891 115.504 -1.613 1
1 1223 . 8 1 1 A 101 101 GLN H H 101 7.665 7.426 0.239 1
1 1224 . 8 1 1 A 101 101 GLN CA C 101 55.681 55.199 0.482 1
1 1225 . 8 1 1 A 101 101 GLN HA H 101 4.378 4.457 -0.079 1
1 1226 . 8 1 1 A 101 101 GLN CB C 101 28.879 28.585 0.294 1
1 1235 . 8 1 1 A 101 101 GLN C C 101 175.604 174.656 0.948 1
1 1236 . 8 1 1 A 102 102 CYS N N 102 114.274 116.095 -1.821 1
1 1237 . 8 1 1 A 102 102 CYS H H 102 8.300 8.236 0.064 1
1 1238 . 8 1 1 A 102 102 CYS CA C 102 58.700 60.466 -1.766 1
1 1239 . 8 1 1 A 102 102 CYS HA H 102 4.030 4.146 -0.116 1
1 1240 . 8 1 1 A 102 102 CYS CB C 102 24.987 26.065 -1.078 1
1 1243 . 8 1 1 A 102 102 CYS C C 102 174.186 173.514 0.672 1
1 1244 . 8 1 1 A 103 103 ALA N N 103 123.512 122.007 1.505 1
1 1245 . 8 1 1 A 103 103 ALA H H 103 8.175 7.466 0.709 1
1 1246 . 8 1 1 A 103 103 ALA CA C 103 50.841 49.605 1.236 1
1 1247 . 8 1 1 A 103 103 ALA HA H 103 4.458 4.574 -0.116 1
1 1248 . 8 1 1 A 103 103 ALA CB C 103 18.353 19.887 -1.534 1
1 1252 . 8 1 1 A 103 103 ALA C C 103 175.904 176.112 -0.208 1
1 1253 . 8 1 1 A 104 104 PRO CA C 104 64.290 63.771 0.519 1
1 1254 . 8 1 1 A 104 104 PRO HA H 104 4.315 4.335 -0.020 1
1 1255 . 8 1 1 A 104 104 PRO CB C 104 32.028 31.313 0.715 1
1 1264 . 8 1 1 A 104 104 PRO C C 104 178.173 177.616 0.557 1
1 1265 . 8 1 1 A 105 105 GLY N N 105 113.466 112.409 1.057 1
1 1266 . 8 1 1 A 105 105 GLY H H 105 9.036 8.743 0.293 1
1 1267 . 8 1 1 A 105 105 GLY CA C 105 45.935 45.547 0.388 1
1 1268 . 8 1 1 A 105 105 GLY HA2 H 105 4.044 3.909 0.135 1
1 1269 . 8 1 1 A 105 105 GLY HA3 H 105 3.832 3.924 -0.092 1
1 1270 . 8 1 1 A 105 105 GLY C C 105 174.928 175.419 -0.491 1
1 1271 . 8 1 1 A 106 106 VAL N N 106 117.991 121.066 -3.075 1
1 1272 . 8 1 1 A 106 106 VAL H H 106 6.964 7.566 -0.602 1
1 1273 . 8 1 1 A 106 106 VAL CA C 106 66.071 65.852 0.219 1
1 1274 . 8 1 1 A 106 106 VAL HA H 106 3.842 3.741 0.101 1
1 1275 . 8 1 1 A 106 106 VAL CB C 106 31.337 31.289 0.048 1
1 1285 . 8 1 1 A 106 106 VAL C C 106 178.061 177.899 0.162 1
1 1286 . 8 1 1 A 107 107 VAL N N 107 121.474 120.593 0.881 1
1 1287 . 8 1 1 A 107 107 VAL H H 107 9.039 8.027 1.012 1
1 1288 . 8 1 1 A 107 107 VAL CA C 107 65.971 65.397 0.574 1
1 1289 . 8 1 1 A 107 107 VAL HA H 107 3.743 3.600 0.143 1
1 1290 . 8 1 1 A 107 107 VAL CB C 107 30.959 31.238 -0.279 1
1 1300 . 8 1 1 A 107 107 VAL C C 107 177.629 177.342 0.287 1
1 1301 . 8 1 1 A 108 108 GLU N N 108 126.242 122.507 3.735 1
1 1302 . 8 1 1 A 108 108 GLU H H 108 11.107 8.305 2.802 1
1 1303 . 8 1 1 A 108 108 GLU CA C 108 62.429 59.364 3.065 1
1 1304 . 8 1 1 A 108 108 GLU HA H 108 3.584 3.998 -0.414 1
1 1305 . 8 1 1 A 108 108 GLU CB C 108 28.863 29.172 -0.309 1
1 1311 . 8 1 1 A 108 108 GLU C C 108 176.878 179.225 -2.347 1
1 1312 . 8 1 1 A 109 109 LEU N N 109 114.111 120.102 -5.991 1
1 1313 . 8 1 1 A 109 109 LEU H H 109 7.474 7.971 -0.497 1
1 1314 . 8 1 1 A 109 109 LEU CA C 109 56.293 57.819 -1.526 1
1 1315 . 8 1 1 A 109 109 LEU HA H 109 4.024 4.026 -0.002 1
1 1316 . 8 1 1 A 109 109 LEU CB C 109 40.846 41.740 -0.894 1
1 1329 . 8 1 1 A 109 109 LEU C C 109 178.647 178.460 0.187 1
1 1330 . 8 1 1 A 110 110 VAL N N 110 116.984 118.683 -1.699 1
1 1331 . 8 1 1 A 110 110 VAL H H 110 7.557 7.414 0.143 1
1 1332 . 8 1 1 A 110 110 VAL CA C 110 64.274 64.903 -0.629 1
1 1333 . 8 1 1 A 110 110 VAL HA H 110 4.206 3.997 0.209 1
1 1334 . 8 1 1 A 110 110 VAL CB C 110 33.070 32.039 1.031 1
1 1344 . 8 1 1 A 110 110 VAL C C 110 176.435 177.693 -1.258 1
1 1345 . 8 1 1 A 111 111 LEU N N 111 118.461 120.610 -2.149 1
1 1346 . 8 1 1 A 111 111 LEU H H 111 8.453 8.199 0.254 1
1 1347 . 8 1 1 A 111 111 LEU CA C 111 58.047 57.373 0.674 1
1 1348 . 8 1 1 A 111 111 LEU HA H 111 4.003 4.069 -0.066 1
1 1349 . 8 1 1 A 111 111 LEU CB C 111 43.552 41.370 2.182 1
1 1362 . 8 1 1 A 111 111 LEU C C 111 177.274 179.109 -1.835 1
1 1363 . 8 1 1 A 112 112 ILE N N 112 115.835 119.153 -3.318 1
1 1364 . 8 1 1 A 112 112 ILE H H 112 7.850 8.321 -0.471 1
1 1365 . 8 1 1 A 112 112 ILE CA C 112 67.843 66.624 1.219 1
1 1366 . 8 1 1 A 112 112 ILE HA H 112 3.636 3.704 -0.068 1
1 1367 . 8 1 1 A 112 112 ILE CB C 112 36.504 36.668 -0.164 1
1 1380 . 8 1 1 A 112 112 ILE C C 112 176.487 174.958 1.529 1
1 1381 . 8 1 1 A 113 113 PRO CA C 113 64.872 65.565 -0.693 1
1 1382 . 8 1 1 A 113 113 PRO HA H 113 4.420 4.330 0.090 1
1 1383 . 8 1 1 A 113 113 PRO CB C 113 30.348 30.855 -0.507 1
1 1392 . 8 1 1 A 113 113 PRO C C 113 179.001 178.707 0.294 1
1 1393 . 8 1 1 A 114 114 LEU N N 114 120.690 118.175 2.515 1
1 1394 . 8 1 1 A 114 114 LEU H H 114 7.672 7.309 0.363 1
1 1395 . 8 1 1 A 114 114 LEU CA C 114 58.337 58.092 0.245 1
1 1396 . 8 1 1 A 114 114 LEU HA H 114 3.490 3.790 -0.300 1
1 1397 . 8 1 1 A 114 114 LEU CB C 114 41.840 41.799 0.041 1
1 1410 . 8 1 1 A 114 114 LEU C C 114 177.486 178.213 -0.727 1
1 1411 . 8 1 1 A 115 115 ARG N N 115 119.039 118.600 0.439 1
1 1412 . 8 1 1 A 115 115 ARG H H 115 8.159 7.508 0.651 1
1 1413 . 8 1 1 A 115 115 ARG CA C 115 60.199 59.334 0.865 1
1 1414 . 8 1 1 A 115 115 ARG HA H 115 3.215 3.255 -0.040 1
1 1415 . 8 1 1 A 115 115 ARG CB C 115 28.049 29.030 -0.981 1
1 1426 . 8 1 1 A 115 115 ARG C C 115 177.460 178.686 -1.226 1
1 1427 . 8 1 1 A 116 116 GLN N N 116 115.221 118.251 -3.030 1
1 1428 . 8 1 1 A 116 116 GLN H H 116 6.825 8.154 -1.329 1
1 1429 . 8 1 1 A 116 116 GLN CA C 116 58.838 58.763 0.075 1
1 1430 . 8 1 1 A 116 116 GLN HA H 116 3.830 3.951 -0.121 1
1 1431 . 8 1 1 A 116 116 GLN CB C 116 27.871 28.353 -0.482 1
1 1440 . 8 1 1 A 116 116 GLN C C 116 178.648 178.890 -0.242 1
1 1441 . 8 1 1 A 117 117 ARG N N 117 118.476 119.557 -1.081 1
1 1442 . 8 1 1 A 117 117 ARG H H 117 8.028 7.908 0.120 1
1 1443 . 8 1 1 A 117 117 ARG CA C 117 57.607 59.141 -1.534 1
1 1444 . 8 1 1 A 117 117 ARG HA H 117 4.117 4.068 0.049 1
1 1445 . 8 1 1 A 117 117 ARG CB C 117 30.040 30.469 -0.429 1
1 1454 . 8 1 1 A 117 117 ARG C C 117 179.370 178.496 0.874 1
1 1455 . 8 1 1 A 118 118 LEU N N 118 120.407 119.651 0.756 1
1 1456 . 8 1 1 A 118 118 LEU H H 118 8.533 8.203 0.330 1
1 1457 . 8 1 1 A 118 118 LEU CA C 118 58.295 57.802 0.493 1
1 1458 . 8 1 1 A 118 118 LEU HA H 118 3.950 3.869 0.081 1
1 1459 . 8 1 1 A 118 118 LEU CB C 118 40.472 40.920 -0.448 1
1 1472 . 8 1 1 A 118 118 LEU C C 118 178.577 179.418 -0.841 1
1 1473 . 8 1 1 A 119 119 GLU N N 119 116.858 118.669 -1.811 1
1 1474 . 8 1 1 A 119 119 GLU H H 119 8.220 8.037 0.183 1
1 1475 . 8 1 1 A 119 119 GLU CA C 119 59.441 59.950 -0.509 1
1 1476 . 8 1 1 A 119 119 GLU HA H 119 4.047 4.020 0.027 1
1 1477 . 8 1 1 A 119 119 GLU CB C 119 29.271 29.146 0.125 1
1 1483 . 8 1 1 A 119 119 GLU C C 119 179.631 179.158 0.473 1
1 1484 . 8 1 1 A 120 120 GLU N N 120 119.797 120.274 -0.477 1
1 1485 . 8 1 1 A 120 120 GLU H H 120 8.199 8.198 0.001 1
1 1486 . 8 1 1 A 120 120 GLU CA C 120 59.223 59.490 -0.267 1
1 1487 . 8 1 1 A 120 120 GLU HA H 120 4.062 4.078 -0.016 1
1 1488 . 8 1 1 A 120 120 GLU CB C 120 29.562 29.086 0.476 1
1 1494 . 8 1 1 A 120 120 GLU C C 120 178.823 178.630 0.193 1
1 1495 . 8 1 1 A 121 121 ARG N N 121 118.760 118.795 -0.035 1
1 1496 . 8 1 1 A 121 121 ARG H H 121 7.928 7.975 -0.047 1
1 1497 . 8 1 1 A 121 121 ARG CA C 121 58.065 60.000 -1.935 1
1 1498 . 8 1 1 A 121 121 ARG HA H 121 4.136 4.072 0.064 1
1 1499 . 8 1 1 A 121 121 ARG CB C 121 29.478 30.183 -0.705 1
1 1508 . 8 1 1 A 121 121 ARG C C 121 178.426 178.936 -0.510 1
1 1509 . 8 1 1 A 122 122 GLN N N 122 119.430 118.639 0.791 1
1 1510 . 8 1 1 A 122 122 GLN H H 122 8.323 7.956 0.367 1
1 1511 . 8 1 1 A 122 122 GLN CA C 122 58.489 58.687 -0.198 1
1 1512 . 8 1 1 A 122 122 GLN HA H 122 4.352 4.536 -0.184 1
1 1513 . 8 1 1 A 122 122 GLN CB C 122 29.611 29.790 -0.179 1
1 1522 . 8 1 1 A 122 122 GLN C C 122 177.291 175.669 1.622 1
1 1523 . 8 1 1 A 123 123 ARG N N 123 118.341 115.291 3.050 1
1 1524 . 8 1 1 A 123 123 ARG H H 123 7.920 7.523 0.397 1
1 1525 . 8 1 1 A 123 123 ARG CA C 123 57.695 54.345 3.350 1
1 1526 . 8 1 1 A 123 123 ARG HA H 123 4.266 5.046 -0.780 1
1 1527 . 8 1 1 A 123 123 ARG CB C 123 30.671 33.832 -3.161 1
1 1536 . 8 1 1 A 123 123 ARG C C 123 177.214 174.513 2.701 1
1 1537 . 8 1 1 A 124 124 ARG N N 124 119.452 120.229 -0.777 1
1 1538 . 8 1 1 A 124 124 ARG H H 124 7.850 8.583 -0.733 1
1 1539 . 8 1 1 A 124 124 ARG CA C 124 56.814 54.201 2.613 1
1 1540 . 8 1 1 A 124 124 ARG HA H 124 4.300 4.993 -0.693 1
1 1541 . 8 1 1 A 124 124 ARG CB C 124 30.672 34.077 -3.405 1
1 1550 . 8 1 1 A 124 124 ARG C C 124 176.540 175.918 0.622 1
1 1551 . 8 1 1 A 125 125 ARG N N 125 120.963 121.764 -0.801 1
1 1552 . 8 1 1 A 125 125 ARG H H 125 8.081 8.389 -0.308 1
1 1553 . 8 1 1 A 125 125 ARG CA C 125 56.514 56.321 0.193 1
1 1554 . 8 1 1 A 125 125 ARG HA H 125 4.355 4.502 -0.147 1
1 1555 . 8 1 1 A 125 125 ARG CB C 125 30.694 30.651 0.043 1
1 1564 . 8 1 1 A 125 125 ARG C C 125 176.133 175.568 0.565 1
1 1565 . 8 1 1 A 126 126 LYS N N 126 122.811 122.888 -0.077 1
1 1566 . 8 1 1 A 126 126 LYS H H 126 8.252 8.390 -0.138 1
1 1567 . 8 1 1 A 126 126 LYS CA C 126 56.430 55.544 0.886 1
1 1568 . 8 1 1 A 126 126 LYS HA H 126 4.351 4.942 -0.591 1
1 1569 . 8 1 1 A 126 126 LYS CB C 126 33.017 35.856 -2.839 1
1 1581 . 8 1 1 A 126 126 LYS C C 126 175.649 174.290 1.359 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.715 56.954 1.761 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.472 4.902 -0.430 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.934 65.246 -1.312 1
1 6 . 9 1 1 A 6 6 SER C C 6 174.927 173.003 1.924 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.435 111.848 -1.413 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.348 8.421 -0.073 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.364 44.232 1.132 1
1 10 . 9 1 1 A 7 7 GLY HA2 H 7 3.919 4.193 -0.274 1
1 11 . 9 1 1 A 7 7 GLY HA3 H 7 3.919 4.193 -0.274 1
1 12 . 9 1 1 A 7 7 GLY C C 7 173.952 173.405 0.547 1
1 13 . 9 1 1 A 8 8 MET N N 8 119.481 119.296 0.185 1
1 14 . 9 1 1 A 8 8 MET H H 8 8.163 8.392 -0.229 1
1 15 . 9 1 1 A 8 8 MET CA C 8 55.472 55.546 -0.074 1
1 16 . 9 1 1 A 8 8 MET HA H 8 4.486 4.412 0.074 1
1 17 . 9 1 1 A 8 8 MET CB C 8 33.598 33.113 0.485 1
1 27 . 9 1 1 A 8 8 MET C C 8 176.019 175.792 0.227 1
1 28 . 9 1 1 A 9 9 ALA N N 9 125.433 124.249 1.184 1
1 29 . 9 1 1 A 9 9 ALA H H 9 8.436 8.222 0.214 1
1 30 . 9 1 1 A 9 9 ALA CA C 9 52.481 53.023 -0.542 1
1 31 . 9 1 1 A 9 9 ALA HA H 9 4.381 4.250 0.131 1
1 32 . 9 1 1 A 9 9 ALA CB C 9 19.322 19.056 0.266 1
1 36 . 9 1 1 A 9 9 ALA C C 9 177.349 177.556 -0.207 1
1 37 . 9 1 1 A 10 10 SER N N 10 114.383 118.239 -3.856 1
1 38 . 9 1 1 A 10 10 SER H H 10 8.372 8.771 -0.399 1
1 39 . 9 1 1 A 10 10 SER CA C 10 58.607 56.080 2.527 1
1 40 . 9 1 1 A 10 10 SER HA H 10 4.470 4.787 -0.317 1
1 41 . 9 1 1 A 10 10 SER CB C 10 63.979 65.735 -1.756 1
1 44 . 9 1 1 A 10 10 SER C C 10 174.323 172.297 2.026 1
1 45 . 9 1 1 A 11 11 SER N N 11 116.549 118.970 -2.421 1
1 46 . 9 1 1 A 11 11 SER H H 11 8.111 8.530 -0.419 1
1 47 . 9 1 1 A 11 11 SER CA C 11 58.189 58.673 -0.484 1
1 48 . 9 1 1 A 11 11 SER HA H 11 4.487 4.426 0.061 1
1 49 . 9 1 1 A 11 11 SER CB C 11 64.081 63.672 0.409 1
1 52 . 9 1 1 A 11 11 SER C C 11 173.692 174.605 -0.913 1
1 53 . 9 1 1 A 12 12 VAL N N 12 120.502 123.953 -3.451 1
1 54 . 9 1 1 A 12 12 VAL H H 12 8.207 8.055 0.152 1
1 55 . 9 1 1 A 12 12 VAL CA C 12 61.847 63.460 -1.613 1
1 56 . 9 1 1 A 12 12 VAL HA H 12 4.150 3.897 0.253 1
1 57 . 9 1 1 A 12 12 VAL CB C 12 33.269 32.120 1.149 1
1 67 . 9 1 1 A 12 12 VAL C C 12 174.930 175.377 -0.447 1
1 68 . 9 1 1 A 13 13 ASP N N 13 124.104 127.519 -3.415 1
1 69 . 9 1 1 A 13 13 ASP H H 13 7.953 8.287 -0.334 1
1 70 . 9 1 1 A 13 13 ASP CA C 13 53.249 52.125 1.124 1
1 71 . 9 1 1 A 13 13 ASP HA H 13 4.661 5.036 -0.375 1
1 72 . 9 1 1 A 13 13 ASP CB C 13 41.891 44.222 -2.331 1
1 75 . 9 1 1 A 13 13 ASP C C 13 176.009 176.070 -0.061 1
1 76 . 9 1 1 A 14 14 GLU N N 14 120.197 123.961 -3.764 1
1 77 . 9 1 1 A 14 14 GLU H H 14 8.568 9.064 -0.496 1
1 78 . 9 1 1 A 14 14 GLU CA C 14 59.932 59.882 0.050 1
1 79 . 9 1 1 A 14 14 GLU HA H 14 3.944 3.985 -0.041 1
1 80 . 9 1 1 A 14 14 GLU CB C 14 29.670 29.266 0.404 1
1 86 . 9 1 1 A 14 14 GLU C C 14 178.863 178.441 0.422 1
1 87 . 9 1 1 A 15 15 GLU N N 15 120.713 118.050 2.663 1
1 88 . 9 1 1 A 15 15 GLU H H 15 8.312 8.395 -0.083 1
1 89 . 9 1 1 A 15 15 GLU CA C 15 59.101 59.176 -0.075 1
1 90 . 9 1 1 A 15 15 GLU HA H 15 4.244 4.150 0.094 1
1 91 . 9 1 1 A 15 15 GLU CB C 15 28.917 29.448 -0.531 1
1 97 . 9 1 1 A 15 15 GLU C C 15 178.511 178.807 -0.296 1
1 98 . 9 1 1 A 16 16 ALA N N 16 123.041 122.296 0.745 1
1 99 . 9 1 1 A 16 16 ALA H H 16 8.047 7.538 0.509 1
1 100 . 9 1 1 A 16 16 ALA CA C 16 54.830 54.987 -0.157 1
1 101 . 9 1 1 A 16 16 ALA HA H 16 4.093 4.093 0.000 1
1 102 . 9 1 1 A 16 16 ALA CB C 16 18.371 18.008 0.363 1
1 106 . 9 1 1 A 16 16 ALA C C 16 181.428 179.988 1.440 1
1 107 . 9 1 1 A 17 17 LEU N N 17 119.436 118.094 1.342 1
1 108 . 9 1 1 A 17 17 LEU H H 17 8.042 7.872 0.170 1
1 109 . 9 1 1 A 17 17 LEU CA C 17 57.623 57.728 -0.105 1
1 110 . 9 1 1 A 17 17 LEU HA H 17 3.838 3.762 0.076 1
1 111 . 9 1 1 A 17 17 LEU CB C 17 41.323 41.444 -0.121 1
1 124 . 9 1 1 A 17 17 LEU C C 17 177.590 179.055 -1.465 1
1 125 . 9 1 1 A 18 18 HIS N N 18 118.394 118.368 0.026 1
1 126 . 9 1 1 A 18 18 HIS H H 18 8.182 8.239 -0.057 1
1 127 . 9 1 1 A 18 18 HIS CA C 18 59.415 60.070 -0.655 1
1 128 . 9 1 1 A 18 18 HIS HA H 18 4.435 4.429 0.006 1
1 129 . 9 1 1 A 18 18 HIS CB C 18 29.560 29.815 -0.255 1
1 136 . 9 1 1 A 18 18 HIS C C 18 178.114 176.831 1.283 1
1 137 . 9 1 1 A 19 19 GLN N N 19 115.623 117.269 -1.646 1
1 138 . 9 1 1 A 19 19 GLN H H 19 8.178 7.991 0.187 1
1 139 . 9 1 1 A 19 19 GLN CA C 19 58.406 59.060 -0.654 1
1 140 . 9 1 1 A 19 19 GLN HA H 19 3.904 3.760 0.144 1
1 141 . 9 1 1 A 19 19 GLN CB C 19 28.118 28.340 -0.222 1
1 150 . 9 1 1 A 19 19 GLN C C 19 179.132 178.336 0.796 1
1 151 . 9 1 1 A 20 20 LEU N N 20 122.817 121.177 1.640 1
1 152 . 9 1 1 A 20 20 LEU H H 20 7.949 7.369 0.580 1
1 153 . 9 1 1 A 20 20 LEU CA C 20 58.278 57.599 0.679 1
1 154 . 9 1 1 A 20 20 LEU HA H 20 4.233 4.079 0.154 1
1 155 . 9 1 1 A 20 20 LEU CB C 20 40.850 41.722 -0.872 1
1 168 . 9 1 1 A 20 20 LEU C C 20 178.466 178.111 0.355 1
1 169 . 9 1 1 A 21 21 TYR N N 21 118.825 118.725 0.100 1
1 170 . 9 1 1 A 21 21 TYR H H 21 8.376 7.770 0.606 1
1 171 . 9 1 1 A 21 21 TYR CA C 21 60.605 60.935 -0.330 1
1 172 . 9 1 1 A 21 21 TYR HA H 21 4.286 4.355 -0.069 1
1 173 . 9 1 1 A 21 21 TYR CB C 21 36.667 38.199 -1.532 1
1 184 . 9 1 1 A 21 21 TYR C C 21 178.654 178.262 0.392 1
1 185 . 9 1 1 A 22 22 LEU N N 22 118.954 119.734 -0.780 1
1 186 . 9 1 1 A 22 22 LEU H H 22 7.869 8.846 -0.977 1
1 187 . 9 1 1 A 22 22 LEU CA C 22 57.887 58.241 -0.354 1
1 188 . 9 1 1 A 22 22 LEU HA H 22 4.076 3.986 0.090 1
1 189 . 9 1 1 A 22 22 LEU CB C 22 42.250 41.802 0.448 1
1 202 . 9 1 1 A 22 22 LEU C C 22 178.877 178.588 0.289 1
1 203 . 9 1 1 A 23 23 TRP N N 23 120.668 120.235 0.433 1
1 204 . 9 1 1 A 23 23 TRP H H 23 7.804 8.214 -0.410 1
1 205 . 9 1 1 A 23 23 TRP CA C 23 60.711 60.967 -0.256 1
1 206 . 9 1 1 A 23 23 TRP HA H 23 4.436 4.088 0.348 1
1 207 . 9 1 1 A 23 23 TRP CB C 23 28.035 29.703 -1.668 1
1 222 . 9 1 1 A 23 23 TRP C C 23 178.471 178.220 0.251 1
1 223 . 9 1 1 A 24 24 VAL N N 24 116.831 119.070 -2.239 1
1 224 . 9 1 1 A 24 24 VAL H H 24 8.503 7.577 0.926 1
1 225 . 9 1 1 A 24 24 VAL CA C 24 66.014 65.878 0.136 1
1 226 . 9 1 1 A 24 24 VAL HA H 24 3.084 2.983 0.101 1
1 227 . 9 1 1 A 24 24 VAL CB C 24 31.826 31.331 0.495 1
1 237 . 9 1 1 A 24 24 VAL C C 24 178.212 177.622 0.590 1
1 238 . 9 1 1 A 25 25 ASP N N 25 117.894 120.557 -2.663 1
1 239 . 9 1 1 A 25 25 ASP H H 25 8.140 8.800 -0.660 1
1 240 . 9 1 1 A 25 25 ASP CA C 25 57.043 57.397 -0.354 1
1 241 . 9 1 1 A 25 25 ASP HA H 25 4.290 4.242 0.048 1
1 242 . 9 1 1 A 25 25 ASP CB C 25 41.067 40.208 0.859 1
1 245 . 9 1 1 A 25 25 ASP C C 25 177.163 178.631 -1.468 1
1 246 . 9 1 1 A 26 26 ASN N N 26 114.914 116.760 -1.846 1
1 247 . 9 1 1 A 26 26 ASN H H 26 7.229 8.489 -1.260 1
1 248 . 9 1 1 A 26 26 ASN CA C 26 53.375 56.719 -3.344 1
1 249 . 9 1 1 A 26 26 ASN HA H 26 4.607 4.460 0.147 1
1 250 . 9 1 1 A 26 26 ASN CB C 26 40.048 39.388 0.660 1
1 256 . 9 1 1 A 26 26 ASN C C 26 174.227 175.870 -1.643 1
1 257 . 9 1 1 A 27 27 ILE N N 27 123.268 119.414 3.854 1
1 258 . 9 1 1 A 27 27 ILE H H 27 7.212 7.390 -0.178 1
1 259 . 9 1 1 A 27 27 ILE CA C 27 58.327 60.376 -2.049 1
1 260 . 9 1 1 A 27 27 ILE HA H 27 3.628 4.037 -0.409 1
1 261 . 9 1 1 A 27 27 ILE CB C 27 39.403 38.190 1.213 1
1 274 . 9 1 1 A 27 27 ILE C C 27 173.764 174.617 -0.853 1
1 275 . 9 1 1 A 28 28 PRO CA C 28 62.584 62.565 0.019 1
1 276 . 9 1 1 A 28 28 PRO HA H 28 4.354 4.718 -0.364 1
1 277 . 9 1 1 A 28 28 PRO CB C 28 30.056 31.252 -1.196 1
1 286 . 9 1 1 A 28 28 PRO C C 28 175.419 175.776 -0.357 1
1 287 . 9 1 1 A 29 29 LEU N N 29 125.355 125.125 0.230 1
1 288 . 9 1 1 A 29 29 LEU H H 29 8.118 8.555 -0.437 1
1 289 . 9 1 1 A 29 29 LEU CA C 29 53.358 53.953 -0.595 1
1 290 . 9 1 1 A 29 29 LEU HA H 29 4.748 4.568 0.180 1
1 291 . 9 1 1 A 29 29 LEU CB C 29 45.279 42.557 2.722 1
1 304 . 9 1 1 A 29 29 LEU C C 29 178.577 176.363 2.214 1
1 305 . 9 1 1 A 31 31 ARG CA C 31 53.250 52.940 0.310 1
1 306 . 9 1 1 A 31 31 ARG HA H 31 4.787 4.756 0.031 1
1 307 . 9 1 1 A 31 31 ARG CB C 31 32.107 33.676 -1.569 1
1 316 . 9 1 1 A 32 32 PRO CA C 32 62.865 62.272 0.593 1
1 317 . 9 1 1 A 32 32 PRO HA H 32 4.300 4.601 -0.301 1
1 318 . 9 1 1 A 32 32 PRO CB C 32 32.193 33.203 -1.010 1
1 327 . 9 1 1 A 33 33 LYS CA C 33 56.154 55.975 0.179 1
1 328 . 9 1 1 A 33 33 LYS HA H 33 4.361 4.490 -0.129 1
1 329 . 9 1 1 A 33 33 LYS CB C 33 32.368 31.839 0.529 1
1 341 . 9 1 1 A 34 34 ARG N N 34 122.768 122.658 0.110 1
1 342 . 9 1 1 A 34 34 ARG H H 34 8.410 7.730 0.680 1
1 343 . 9 1 1 A 34 34 ARG HA H 34 4.336 4.546 -0.210 1
1 344 . 9 1 1 A 34 34 ARG CB C 34 31.894 31.527 0.367 1
1 349 . 9 1 1 A 35 35 ASN CA C 35 53.153 53.990 -0.837 1
1 350 . 9 1 1 A 35 35 ASN HA H 35 4.771 4.544 0.227 1
1 351 . 9 1 1 A 35 35 ASN CB C 35 39.425 39.001 0.424 1
1 357 . 9 1 1 A 36 36 LEU N N 36 110.943 124.000 -13.057 1
1 358 . 9 1 1 A 36 36 LEU H H 36 8.305 8.703 -0.398 1
1 359 . 9 1 1 A 36 36 LEU CA C 36 60.191 57.052 3.139 1
1 360 . 9 1 1 A 36 36 LEU HA H 36 4.140 4.361 -0.221 1
1 361 . 9 1 1 A 36 36 LEU CB C 36 41.876 41.773 0.103 1
1 374 . 9 1 1 A 37 37 SER CA C 37 61.673 61.492 0.181 1
1 375 . 9 1 1 A 37 37 SER HA H 37 4.080 4.221 -0.141 1
1 376 . 9 1 1 A 37 37 SER CB C 37 62.700 62.930 -0.230 1
1 379 . 9 1 1 A 38 38 ARG N N 38 119.288 121.291 -2.003 1
1 380 . 9 1 1 A 38 38 ARG H H 38 7.773 7.702 0.071 1
1 381 . 9 1 1 A 38 38 ARG HA H 38 4.587 4.220 0.367 1
1 384 . 9 1 1 A 39 39 ASP N N 39 121.607 120.099 1.508 1
1 385 . 9 1 1 A 39 39 ASP H H 39 9.487 8.245 1.242 1
1 386 . 9 1 1 A 39 39 ASP CA C 39 58.026 57.063 0.963 1
1 387 . 9 1 1 A 39 39 ASP HA H 39 4.518 4.259 0.259 1
1 388 . 9 1 1 A 39 39 ASP CB C 39 40.039 40.989 -0.950 1
1 391 . 9 1 1 A 40 40 PHE N N 40 115.310 117.523 -2.213 1
1 392 . 9 1 1 A 40 40 PHE H H 40 8.300 7.428 0.872 1
1 393 . 9 1 1 A 40 40 PHE CA C 40 59.420 60.478 -1.058 1
1 394 . 9 1 1 A 40 40 PHE HA H 40 4.605 4.404 0.201 1
1 395 . 9 1 1 A 40 40 PHE CB C 40 39.030 39.352 -0.322 1
1 408 . 9 1 1 A 41 41 SER N N 41 115.417 115.331 0.086 1
1 409 . 9 1 1 A 41 41 SER H H 41 7.441 8.353 -0.912 1
1 410 . 9 1 1 A 41 41 SER CA C 41 62.290 61.444 0.846 1
1 411 . 9 1 1 A 41 41 SER HA H 41 4.341 4.263 0.078 1
1 412 . 9 1 1 A 41 41 SER CB C 41 64.510 63.073 1.437 1
1 415 . 9 1 1 A 42 42 ASP N N 42 117.563 117.278 0.285 1
1 416 . 9 1 1 A 42 42 ASP H H 42 8.726 7.707 1.019 1
1 417 . 9 1 1 A 42 42 ASP CA C 42 53.746 53.762 -0.016 1
1 418 . 9 1 1 A 42 42 ASP HA H 42 4.780 4.873 -0.093 1
1 419 . 9 1 1 A 42 42 ASP CB C 42 42.695 40.867 1.828 1
1 422 . 9 1 1 A 42 42 ASP C C 42 176.013 176.316 -0.303 1
1 423 . 9 1 1 A 43 43 GLY N N 43 106.643 109.327 -2.684 1
1 424 . 9 1 1 A 43 43 GLY H H 43 7.388 8.815 -1.427 1
1 425 . 9 1 1 A 43 43 GLY CA C 43 45.230 46.526 -1.296 1
1 426 . 9 1 1 A 43 43 GLY HA2 H 43 3.131 3.116 0.015 1
1 427 . 9 1 1 A 43 43 GLY HA3 H 43 2.588 3.466 -0.878 1
1 428 . 9 1 1 A 43 43 GLY C C 43 173.476 175.099 -1.623 1
1 429 . 9 1 1 A 44 44 VAL N N 44 121.300 121.435 -0.135 1
1 430 . 9 1 1 A 44 44 VAL H H 44 7.874 7.803 0.071 1
1 431 . 9 1 1 A 44 44 VAL CA C 44 67.198 65.473 1.725 1
1 432 . 9 1 1 A 44 44 VAL HA H 44 3.018 3.719 -0.701 1
1 433 . 9 1 1 A 44 44 VAL CB C 44 31.139 31.697 -0.558 1
1 443 . 9 1 1 A 44 44 VAL C C 44 177.853 178.159 -0.306 1
1 444 . 9 1 1 A 45 45 LEU N N 45 114.495 122.927 -8.432 1
1 445 . 9 1 1 A 45 45 LEU H H 45 8.945 7.380 1.565 1
1 446 . 9 1 1 A 45 45 LEU CA C 45 57.466 57.088 0.378 1
1 447 . 9 1 1 A 45 45 LEU HA H 45 3.838 4.383 -0.545 1
1 448 . 9 1 1 A 45 45 LEU CB C 45 40.503 42.655 -2.152 1
1 461 . 9 1 1 A 45 45 LEU C C 45 179.257 178.248 1.009 1
1 462 . 9 1 1 A 46 46 VAL N N 46 118.354 119.383 -1.029 1
1 463 . 9 1 1 A 46 46 VAL H H 46 7.422 7.716 -0.294 1
1 464 . 9 1 1 A 46 46 VAL CA C 46 67.288 66.455 0.833 1
1 465 . 9 1 1 A 46 46 VAL HA H 46 3.469 3.654 -0.185 1
1 466 . 9 1 1 A 46 46 VAL CB C 46 30.173 31.520 -1.347 1
1 476 . 9 1 1 A 46 46 VAL C C 46 176.954 178.303 -1.349 1
1 477 . 9 1 1 A 47 47 ALA N N 47 121.963 121.992 -0.029 1
1 478 . 9 1 1 A 47 47 ALA H H 47 7.272 8.034 -0.762 1
1 479 . 9 1 1 A 47 47 ALA CA C 47 55.991 55.735 0.256 1
1 480 . 9 1 1 A 47 47 ALA HA H 47 3.576 3.919 -0.343 1
1 481 . 9 1 1 A 47 47 ALA CB C 47 17.292 18.102 -0.810 1
1 485 . 9 1 1 A 47 47 ALA C C 47 178.880 180.059 -1.179 1
1 486 . 9 1 1 A 48 48 GLU N N 48 116.763 118.562 -1.799 1
1 487 . 9 1 1 A 48 48 GLU H H 48 8.081 7.956 0.125 1
1 488 . 9 1 1 A 48 48 GLU CA C 48 60.605 59.525 1.080 1
1 489 . 9 1 1 A 48 48 GLU HA H 48 3.851 3.985 -0.134 1
1 490 . 9 1 1 A 48 48 GLU CB C 48 30.467 29.345 1.122 1
1 496 . 9 1 1 A 48 48 GLU C C 48 180.175 179.223 0.952 1
1 497 . 9 1 1 A 49 49 VAL N N 49 122.024 119.969 2.055 1
1 498 . 9 1 1 A 49 49 VAL H H 49 8.325 7.609 0.716 1
1 499 . 9 1 1 A 49 49 VAL CA C 49 67.146 66.784 0.362 1
1 500 . 9 1 1 A 49 49 VAL HA H 49 3.530 3.639 -0.109 1
1 501 . 9 1 1 A 49 49 VAL CB C 49 31.543 31.596 -0.053 1
1 511 . 9 1 1 A 49 49 VAL C C 49 177.168 178.526 -1.358 1
1 512 . 9 1 1 A 50 50 ILE N N 50 117.821 120.285 -2.464 1
1 513 . 9 1 1 A 50 50 ILE H H 50 7.947 8.073 -0.126 1
1 514 . 9 1 1 A 50 50 ILE CA C 50 66.217 65.599 0.618 1
1 515 . 9 1 1 A 50 50 ILE HA H 50 3.757 3.788 -0.031 1
1 516 . 9 1 1 A 50 50 ILE CB C 50 37.952 37.442 0.510 1
1 529 . 9 1 1 A 50 50 ILE C C 50 177.890 178.101 -0.211 1
1 530 . 9 1 1 A 51 51 LYS N N 51 121.589 121.226 0.363 1
1 531 . 9 1 1 A 51 51 LYS H H 51 8.790 8.427 0.363 1
1 532 . 9 1 1 A 51 51 LYS CA C 51 58.277 59.523 -1.246 1
1 533 . 9 1 1 A 51 51 LYS HA H 51 3.816 4.036 -0.220 1
1 534 . 9 1 1 A 51 51 LYS CB C 51 32.898 32.639 0.259 1
1 546 . 9 1 1 A 51 51 LYS C C 51 176.668 178.472 -1.804 1
1 547 . 9 1 1 A 52 52 PHE N N 52 117.622 120.266 -2.644 1
1 548 . 9 1 1 A 52 52 PHE H H 52 7.768 7.732 0.036 1
1 549 . 9 1 1 A 52 52 PHE CA C 52 60.585 61.360 -0.775 1
1 550 . 9 1 1 A 52 52 PHE HA H 52 4.090 4.000 0.090 1
1 551 . 9 1 1 A 52 52 PHE CB C 52 38.775 38.712 0.063 1
1 564 . 9 1 1 A 52 52 PHE C C 52 176.831 176.873 -0.042 1
1 565 . 9 1 1 A 53 53 TYR N N 53 115.876 117.498 -1.622 1
1 566 . 9 1 1 A 53 53 TYR H H 53 7.346 7.748 -0.402 1
1 567 . 9 1 1 A 53 53 TYR CA C 53 61.264 60.115 1.149 1
1 568 . 9 1 1 A 53 53 TYR HA H 53 3.697 4.305 -0.608 1
1 569 . 9 1 1 A 53 53 TYR CB C 53 41.522 38.366 3.156 1
1 580 . 9 1 1 A 53 53 TYR C C 53 175.972 175.016 0.956 1
1 581 . 9 1 1 A 54 54 PHE N N 54 116.478 116.858 -0.380 1
1 582 . 9 1 1 A 54 54 PHE H H 54 8.877 8.469 0.408 1
1 583 . 9 1 1 A 54 54 PHE CA C 54 55.553 54.983 0.570 1
1 584 . 9 1 1 A 54 54 PHE HA H 54 5.173 5.117 0.056 1
1 585 . 9 1 1 A 54 54 PHE CB C 54 40.841 39.501 1.340 1
1 598 . 9 1 1 A 54 54 PHE C C 54 173.424 174.580 -1.156 1
1 599 . 9 1 1 A 55 55 PRO CA C 55 65.147 65.653 -0.506 1
1 600 . 9 1 1 A 55 55 PRO HA H 55 4.591 4.382 0.209 1
1 601 . 9 1 1 A 55 55 PRO CB C 55 32.014 31.907 0.107 1
1 610 . 9 1 1 A 55 55 PRO C C 55 179.255 179.267 -0.012 1
1 611 . 9 1 1 A 56 56 LYS N N 56 113.672 118.632 -4.960 1
1 612 . 9 1 1 A 56 56 LYS H H 56 8.639 8.500 0.139 1
1 613 . 9 1 1 A 56 56 LYS CA C 56 56.918 59.708 -2.790 1
1 614 . 9 1 1 A 56 56 LYS HA H 56 4.384 4.043 0.341 1
1 615 . 9 1 1 A 56 56 LYS CB C 56 31.868 32.262 -0.394 1
1 627 . 9 1 1 A 56 56 LYS C C 56 178.220 179.814 -1.594 1
1 628 . 9 1 1 A 57 57 MET N N 57 116.692 119.451 -2.759 1
1 629 . 9 1 1 A 57 57 MET H H 57 8.099 8.179 -0.080 1
1 630 . 9 1 1 A 57 57 MET CA C 57 57.537 58.681 -1.144 1
1 631 . 9 1 1 A 57 57 MET HA H 57 4.260 4.193 0.067 1
1 632 . 9 1 1 A 57 57 MET CB C 57 35.400 32.586 2.814 1
1 642 . 9 1 1 A 57 57 MET C C 57 174.856 177.211 -2.355 1
1 643 . 9 1 1 A 58 58 VAL N N 58 114.727 119.257 -4.530 1
1 644 . 9 1 1 A 58 58 VAL H H 58 6.872 7.260 -0.388 1
1 645 . 9 1 1 A 58 58 VAL CA C 58 60.834 63.086 -2.252 1
1 646 . 9 1 1 A 58 58 VAL HA H 58 4.421 4.037 0.384 1
1 647 . 9 1 1 A 58 58 VAL CB C 58 36.223 32.109 4.114 1
1 657 . 9 1 1 A 58 58 VAL C C 58 173.747 175.678 -1.931 1
1 658 . 9 1 1 A 59 59 GLU N N 59 127.314 128.420 -1.106 1
1 659 . 9 1 1 A 59 59 GLU H H 59 8.783 8.803 -0.020 1
1 660 . 9 1 1 A 59 59 GLU CA C 59 54.465 55.838 -1.373 1
1 661 . 9 1 1 A 59 59 GLU HA H 59 4.671 4.929 -0.258 1
1 662 . 9 1 1 A 59 59 GLU CB C 59 30.020 30.481 -0.461 1
1 668 . 9 1 1 A 59 59 GLU C C 59 176.450 177.047 -0.597 1
1 669 . 9 1 1 A 60 60 MET N N 60 122.273 120.283 1.990 1
1 670 . 9 1 1 A 60 60 MET H H 60 9.004 8.221 0.783 1
1 671 . 9 1 1 A 60 60 MET CA C 60 55.751 58.075 -2.324 1
1 672 . 9 1 1 A 60 60 MET HA H 60 4.613 4.492 0.121 1
1 673 . 9 1 1 A 60 60 MET CB C 60 29.356 31.403 -2.047 1
1 683 . 9 1 1 A 60 60 MET C C 60 178.387 178.326 0.061 1
1 684 . 9 1 1 A 61 61 HIS N N 61 115.823 120.599 -4.776 1
1 685 . 9 1 1 A 61 61 HIS H H 61 8.198 8.346 -0.148 1
1 686 . 9 1 1 A 61 61 HIS CA C 61 57.963 59.595 -1.632 1
1 687 . 9 1 1 A 61 61 HIS HA H 61 4.341 4.152 0.189 1
1 688 . 9 1 1 A 61 61 HIS CB C 61 29.235 30.178 -0.943 1
1 695 . 9 1 1 A 61 61 HIS C C 61 175.800 176.533 -0.733 1
1 696 . 9 1 1 A 62 62 ASN N N 62 115.093 115.070 0.023 1
1 697 . 9 1 1 A 62 62 ASN H H 62 6.895 7.634 -0.739 1
1 698 . 9 1 1 A 62 62 ASN CA C 62 54.503 54.597 -0.094 1
1 699 . 9 1 1 A 62 62 ASN HA H 62 3.872 4.530 -0.658 1
1 700 . 9 1 1 A 62 62 ASN CB C 62 38.749 39.462 -0.713 1
1 706 . 9 1 1 A 62 62 ASN C C 62 173.014 175.618 -2.604 1
1 707 . 9 1 1 A 63 63 TYR N N 63 118.560 117.906 0.654 1
1 708 . 9 1 1 A 63 63 TYR H H 63 7.255 7.675 -0.420 1
1 709 . 9 1 1 A 63 63 TYR CA C 63 56.311 59.298 -2.987 1
1 710 . 9 1 1 A 63 63 TYR HA H 63 4.481 4.685 -0.204 1
1 711 . 9 1 1 A 63 63 TYR CB C 63 39.138 39.772 -0.634 1
1 722 . 9 1 1 A 63 63 TYR C C 63 173.223 176.271 -3.048 1
1 723 . 9 1 1 A 64 64 VAL N N 64 122.318 122.076 0.242 1
1 724 . 9 1 1 A 64 64 VAL H H 64 7.750 8.621 -0.871 1
1 725 . 9 1 1 A 64 64 VAL CA C 64 58.601 58.853 -0.252 1
1 726 . 9 1 1 A 64 64 VAL HA H 64 4.469 4.672 -0.203 1
1 727 . 9 1 1 A 64 64 VAL CB C 64 33.747 35.757 -2.010 1
1 737 . 9 1 1 A 64 64 VAL C C 64 173.983 173.819 0.164 1
1 738 . 9 1 1 A 65 65 PRO CA C 65 63.212 62.469 0.743 1
1 739 . 9 1 1 A 65 65 PRO HA H 65 4.348 4.752 -0.404 1
1 740 . 9 1 1 A 65 65 PRO CB C 65 31.279 31.755 -0.476 1
1 749 . 9 1 1 A 65 65 PRO C C 65 176.821 175.763 1.058 1
1 750 . 9 1 1 A 66 66 ALA N N 66 125.896 126.270 -0.374 1
1 751 . 9 1 1 A 66 66 ALA H H 66 8.563 8.637 -0.074 1
1 752 . 9 1 1 A 66 66 ALA CA C 66 52.003 50.972 1.031 1
1 753 . 9 1 1 A 66 66 ALA HA H 66 4.651 4.707 -0.056 1
1 754 . 9 1 1 A 66 66 ALA CB C 66 24.137 20.918 3.219 1
1 758 . 9 1 1 A 66 66 ALA C C 66 176.244 178.060 -1.816 1
1 759 . 9 1 1 A 67 67 ASN CA C 67 52.862 56.337 -3.475 1
1 760 . 9 1 1 A 67 67 ASN HA H 67 4.988 4.459 0.529 1
1 761 . 9 1 1 A 67 67 ASN CB C 67 40.168 38.299 1.869 1
1 767 . 9 1 1 A 67 67 ASN C C 67 174.896 176.598 -1.702 1
1 768 . 9 1 1 A 68 68 SER N N 68 114.553 114.805 -0.252 1
1 769 . 9 1 1 A 68 68 SER H H 68 7.777 7.691 0.086 1
1 770 . 9 1 1 A 68 68 SER CA C 68 56.741 59.759 -3.018 1
1 771 . 9 1 1 A 68 68 SER HA H 68 4.737 4.344 0.393 1
1 772 . 9 1 1 A 68 68 SER CB C 68 65.267 63.730 1.537 1
1 775 . 9 1 1 A 68 68 SER C C 68 174.542 174.623 -0.081 1
1 776 . 9 1 1 A 69 69 LEU CA C 69 59.000 58.511 0.489 1
1 777 . 9 1 1 A 69 69 LEU HA H 69 3.961 4.141 -0.180 1
1 778 . 9 1 1 A 69 69 LEU CB C 69 41.679 41.500 0.179 1
1 791 . 9 1 1 A 69 69 LEU C C 69 178.629 178.824 -0.195 1
1 792 . 9 1 1 A 70 70 GLN N N 70 115.924 117.603 -1.679 1
1 793 . 9 1 1 A 70 70 GLN H H 70 8.785 8.299 0.486 1
1 794 . 9 1 1 A 70 70 GLN CA C 70 59.728 59.467 0.261 1
1 795 . 9 1 1 A 70 70 GLN HA H 70 3.977 3.987 -0.010 1
1 796 . 9 1 1 A 70 70 GLN CB C 70 27.912 28.322 -0.410 1
1 805 . 9 1 1 A 70 70 GLN C C 70 178.954 178.616 0.338 1
1 806 . 9 1 1 A 71 71 GLN N N 71 118.694 119.628 -0.934 1
1 807 . 9 1 1 A 71 71 GLN H H 71 7.780 8.022 -0.242 1
1 808 . 9 1 1 A 71 71 GLN CA C 71 58.233 58.997 -0.764 1
1 809 . 9 1 1 A 71 71 GLN HA H 71 4.219 4.063 0.156 1
1 810 . 9 1 1 A 71 71 GLN CB C 71 29.089 28.747 0.342 1
1 819 . 9 1 1 A 71 71 GLN C C 71 178.724 177.846 0.878 1
1 820 . 9 1 1 A 72 72 LYS N N 72 119.661 118.337 1.324 1
1 821 . 9 1 1 A 72 72 LYS H H 72 8.094 7.953 0.141 1
1 822 . 9 1 1 A 72 72 LYS CA C 72 61.528 59.585 1.943 1
1 823 . 9 1 1 A 72 72 LYS HA H 72 4.206 4.020 0.186 1
1 824 . 9 1 1 A 72 72 LYS CB C 72 33.806 32.448 1.358 1
1 836 . 9 1 1 A 72 72 LYS C C 72 179.041 179.307 -0.266 1
1 837 . 9 1 1 A 73 73 LEU N N 73 117.098 120.861 -3.763 1
1 838 . 9 1 1 A 73 73 LEU H H 73 8.602 7.774 0.828 1
1 839 . 9 1 1 A 73 73 LEU CA C 73 58.118 57.797 0.321 1
1 840 . 9 1 1 A 73 73 LEU HA H 73 4.287 4.097 0.190 1
1 841 . 9 1 1 A 73 73 LEU CB C 73 40.831 41.477 -0.646 1
1 854 . 9 1 1 A 73 73 LEU C C 73 180.838 179.023 1.815 1
1 855 . 9 1 1 A 74 74 SER N N 74 118.060 113.701 4.359 1
1 856 . 9 1 1 A 74 74 SER H H 74 8.334 7.978 0.356 1
1 857 . 9 1 1 A 74 74 SER CA C 74 61.971 61.512 0.459 1
1 858 . 9 1 1 A 74 74 SER HA H 74 4.431 3.990 0.441 1
1 859 . 9 1 1 A 74 74 SER CB C 74 62.560 62.852 -0.292 1
1 862 . 9 1 1 A 74 74 SER C C 74 177.493 177.147 0.346 1
1 863 . 9 1 1 A 75 75 ASN N N 75 121.688 119.354 2.334 1
1 864 . 9 1 1 A 75 75 ASN H H 75 8.266 8.319 -0.053 1
1 865 . 9 1 1 A 75 75 ASN CA C 75 56.090 56.499 -0.409 1
1 866 . 9 1 1 A 75 75 ASN HA H 75 4.739 4.607 0.132 1
1 867 . 9 1 1 A 75 75 ASN CB C 75 38.184 38.528 -0.344 1
1 873 . 9 1 1 A 75 75 ASN C C 75 177.792 178.172 -0.380 1
1 874 . 9 1 1 A 76 76 TRP N N 76 118.943 120.061 -1.118 1
1 875 . 9 1 1 A 76 76 TRP H H 76 8.510 8.528 -0.018 1
1 876 . 9 1 1 A 76 76 TRP CA C 76 62.294 59.295 2.999 1
1 877 . 9 1 1 A 76 76 TRP HA H 76 4.173 4.224 -0.051 1
1 878 . 9 1 1 A 76 76 TRP CB C 76 29.223 28.982 0.241 1
1 893 . 9 1 1 A 76 76 TRP C C 76 178.579 179.140 -0.561 1
1 894 . 9 1 1 A 77 77 GLY N N 77 107.789 107.557 0.232 1
1 895 . 9 1 1 A 77 77 GLY H H 77 8.954 8.677 0.277 1
1 896 . 9 1 1 A 77 77 GLY CA C 77 47.600 47.502 0.098 1
1 897 . 9 1 1 A 77 77 GLY HA2 H 77 4.122 3.718 0.404 1
1 898 . 9 1 1 A 77 77 GLY HA3 H 77 3.977 3.806 0.171 1
1 899 . 9 1 1 A 77 77 GLY C C 77 176.076 176.972 -0.896 1
1 900 . 9 1 1 A 78 78 HIS N N 78 122.925 120.266 2.659 1
1 901 . 9 1 1 A 78 78 HIS H H 78 8.127 7.853 0.274 1
1 902 . 9 1 1 A 78 78 HIS CA C 78 61.550 58.535 3.015 1
1 903 . 9 1 1 A 78 78 HIS HA H 78 4.206 4.844 -0.638 1
1 904 . 9 1 1 A 78 78 HIS CB C 78 30.794 29.537 1.257 1
1 911 . 9 1 1 A 78 78 HIS C C 78 177.572 177.934 -0.362 1
1 912 . 9 1 1 A 79 79 LEU N N 79 120.009 121.065 -1.056 1
1 913 . 9 1 1 A 79 79 LEU H H 79 8.726 8.392 0.334 1
1 914 . 9 1 1 A 79 79 LEU CA C 79 58.252 57.711 0.541 1
1 915 . 9 1 1 A 79 79 LEU HA H 79 4.227 4.256 -0.029 1
1 916 . 9 1 1 A 79 79 LEU CB C 79 43.075 41.299 1.776 1
1 929 . 9 1 1 A 79 79 LEU C C 79 181.067 178.669 2.398 1
1 930 . 9 1 1 A 80 80 ASN N N 80 119.257 117.448 1.809 1
1 931 . 9 1 1 A 80 80 ASN H H 80 9.270 7.869 1.401 1
1 932 . 9 1 1 A 80 80 ASN CA C 80 57.279 56.321 0.958 1
1 933 . 9 1 1 A 80 80 ASN HA H 80 4.595 4.587 0.008 1
1 934 . 9 1 1 A 80 80 ASN CB C 80 40.403 39.032 1.371 1
1 940 . 9 1 1 A 80 80 ASN C C 80 177.177 176.744 0.433 1
1 941 . 9 1 1 A 81 81 ARG N N 81 115.731 117.267 -1.536 1
1 942 . 9 1 1 A 81 81 ARG H H 81 8.085 8.067 0.018 1
1 943 . 9 1 1 A 81 81 ARG CA C 81 59.249 55.953 3.296 1
1 944 . 9 1 1 A 81 81 ARG HA H 81 4.167 4.565 -0.398 1
1 945 . 9 1 1 A 81 81 ARG CB C 81 31.579 30.667 0.912 1
1 954 . 9 1 1 A 81 81 ARG C C 81 177.890 176.812 1.078 1
1 955 . 9 1 1 A 82 82 LYS N N 82 113.840 117.435 -3.595 1
1 956 . 9 1 1 A 82 82 LYS H H 82 8.691 7.724 0.967 1
1 957 . 9 1 1 A 82 82 LYS CA C 82 56.216 56.819 -0.603 1
1 958 . 9 1 1 A 82 82 LYS HA H 82 4.441 4.454 -0.013 1
1 959 . 9 1 1 A 82 82 LYS CB C 82 32.964 34.512 -1.548 1
1 971 . 9 1 1 A 82 82 LYS C C 82 177.543 177.165 0.378 1
1 972 . 9 1 1 A 83 83 VAL N N 83 117.873 117.825 0.048 1
1 973 . 9 1 1 A 83 83 VAL H H 83 7.786 8.002 -0.216 1
1 974 . 9 1 1 A 83 83 VAL CA C 83 64.939 64.216 0.723 1
1 975 . 9 1 1 A 83 83 VAL HA H 83 4.235 4.190 0.045 1
1 976 . 9 1 1 A 83 83 VAL CB C 83 34.046 32.234 1.812 1
1 986 . 9 1 1 A 83 83 VAL C C 83 176.945 177.799 -0.854 1
1 987 . 9 1 1 A 84 84 LEU N N 84 118.163 119.876 -1.713 1
1 988 . 9 1 1 A 84 84 LEU H H 84 9.200 8.172 1.028 1
1 989 . 9 1 1 A 84 84 LEU CA C 84 58.824 58.302 0.522 1
1 990 . 9 1 1 A 84 84 LEU HA H 84 3.898 3.900 -0.002 1
1 991 . 9 1 1 A 84 84 LEU CB C 84 38.418 41.490 -3.072 1
1 1004 . 9 1 1 A 84 84 LEU C C 84 179.874 179.169 0.705 1
1 1005 . 9 1 1 A 85 85 LYS N N 85 117.114 119.947 -2.833 1
1 1006 . 9 1 1 A 85 85 LYS H H 85 7.303 7.994 -0.691 1
1 1007 . 9 1 1 A 85 85 LYS CA C 85 59.436 59.681 -0.245 1
1 1008 . 9 1 1 A 85 85 LYS HA H 85 4.191 3.960 0.231 1
1 1009 . 9 1 1 A 85 85 LYS CB C 85 33.096 32.361 0.735 1
1 1021 . 9 1 1 A 85 85 LYS C C 85 180.286 179.011 1.275 1
1 1022 . 9 1 1 A 86 86 ARG N N 86 117.181 119.658 -2.477 1
1 1023 . 9 1 1 A 86 86 ARG H H 86 7.216 8.142 -0.926 1
1 1024 . 9 1 1 A 86 86 ARG CA C 86 57.924 58.318 -0.394 1
1 1025 . 9 1 1 A 86 86 ARG HA H 86 4.191 4.183 0.008 1
1 1026 . 9 1 1 A 86 86 ARG CB C 86 29.848 30.397 -0.549 1
1 1035 . 9 1 1 A 86 86 ARG C C 86 177.047 177.676 -0.629 1
1 1036 . 9 1 1 A 87 87 LEU N N 87 118.282 117.844 0.438 1
1 1037 . 9 1 1 A 87 87 LEU H H 87 7.584 8.089 -0.505 1
1 1038 . 9 1 1 A 87 87 LEU CA C 87 53.603 54.523 -0.920 1
1 1039 . 9 1 1 A 87 87 LEU HA H 87 4.339 4.411 -0.072 1
1 1040 . 9 1 1 A 87 87 LEU CB C 87 42.059 42.020 0.039 1
1 1053 . 9 1 1 A 87 87 LEU C C 87 175.182 176.047 -0.865 1
1 1054 . 9 1 1 A 88 88 ASN N N 88 115.016 117.503 -2.487 1
1 1055 . 9 1 1 A 88 88 ASN H H 88 7.932 7.776 0.156 1
1 1056 . 9 1 1 A 88 88 ASN CA C 88 54.081 54.266 -0.185 1
1 1057 . 9 1 1 A 88 88 ASN HA H 88 4.384 4.400 -0.016 1
1 1058 . 9 1 1 A 88 88 ASN CB C 88 36.809 37.513 -0.704 1
1 1064 . 9 1 1 A 88 88 ASN C C 88 173.426 174.604 -1.178 1
1 1065 . 9 1 1 A 89 89 PHE N N 89 119.795 119.056 0.739 1
1 1066 . 9 1 1 A 89 89 PHE H H 89 7.739 7.923 -0.184 1
1 1067 . 9 1 1 A 89 89 PHE CA C 89 56.231 56.421 -0.190 1
1 1068 . 9 1 1 A 89 89 PHE HA H 89 4.887 4.890 -0.003 1
1 1069 . 9 1 1 A 89 89 PHE CB C 89 43.188 41.734 1.454 1
1 1082 . 9 1 1 A 89 89 PHE C C 89 172.386 174.184 -1.798 1
1 1083 . 9 1 1 A 90 90 SER N N 90 117.020 121.121 -4.101 1
1 1084 . 9 1 1 A 90 90 SER H H 90 7.301 8.677 -1.376 1
1 1085 . 9 1 1 A 90 90 SER CA C 90 56.762 55.852 0.910 1
1 1086 . 9 1 1 A 90 90 SER HA H 90 4.667 5.497 -0.830 1
1 1087 . 9 1 1 A 90 90 SER CB C 90 64.885 66.573 -1.688 1
1 1090 . 9 1 1 A 90 90 SER C C 90 172.726 173.801 -1.075 1
1 1091 . 9 1 1 A 91 91 VAL N N 91 126.604 122.544 4.060 1
1 1092 . 9 1 1 A 91 91 VAL H H 91 8.959 8.806 0.153 1
1 1093 . 9 1 1 A 91 91 VAL CA C 91 59.173 59.104 0.069 1
1 1094 . 9 1 1 A 91 91 VAL HA H 91 4.336 4.679 -0.343 1
1 1095 . 9 1 1 A 91 91 VAL CB C 91 33.703 35.795 -2.092 1
1 1105 . 9 1 1 A 91 91 VAL C C 91 173.886 173.629 0.257 1
1 1106 . 9 1 1 A 92 92 PRO CA C 92 62.618 62.437 0.181 1
1 1107 . 9 1 1 A 92 92 PRO HA H 92 4.481 4.669 -0.188 1
1 1108 . 9 1 1 A 92 92 PRO CB C 92 33.302 33.467 -0.165 1
1 1117 . 9 1 1 A 92 92 PRO C C 92 177.410 176.574 0.836 1
1 1118 . 9 1 1 A 93 93 ASP N N 93 123.319 121.603 1.716 1
1 1119 . 9 1 1 A 93 93 ASP H H 93 8.854 8.782 0.072 1
1 1120 . 9 1 1 A 93 93 ASP CA C 93 58.347 56.926 1.421 1
1 1121 . 9 1 1 A 93 93 ASP HA H 93 4.298 4.314 -0.016 1
1 1122 . 9 1 1 A 93 93 ASP CB C 93 40.916 40.036 0.880 1
1 1125 . 9 1 1 A 93 93 ASP C C 93 178.221 178.151 0.070 1
1 1126 . 9 1 1 A 94 94 ASP N N 94 116.740 118.782 -2.042 1
1 1127 . 9 1 1 A 94 94 ASP H H 94 8.955 8.540 0.415 1
1 1128 . 9 1 1 A 94 94 ASP CA C 94 56.851 56.688 0.163 1
1 1129 . 9 1 1 A 94 94 ASP HA H 94 4.222 4.369 -0.147 1
1 1130 . 9 1 1 A 94 94 ASP CB C 94 39.733 39.942 -0.209 1
1 1133 . 9 1 1 A 94 94 ASP C C 94 178.344 178.093 0.251 1
1 1134 . 9 1 1 A 95 95 VAL N N 95 121.559 120.086 1.473 1
1 1135 . 9 1 1 A 95 95 VAL H H 95 6.935 7.549 -0.614 1
1 1136 . 9 1 1 A 95 95 VAL CA C 95 66.007 66.304 -0.297 1
1 1137 . 9 1 1 A 95 95 VAL HA H 95 3.378 3.617 -0.239 1
1 1138 . 9 1 1 A 95 95 VAL CB C 95 31.712 31.542 0.170 1
1 1148 . 9 1 1 A 95 95 VAL C C 95 177.153 177.823 -0.670 1
1 1149 . 9 1 1 A 96 96 MET N N 96 118.492 117.628 0.864 1
1 1150 . 9 1 1 A 96 96 MET H H 96 7.993 7.713 0.280 1
1 1151 . 9 1 1 A 96 96 MET CA C 96 60.318 58.399 1.919 1
1 1152 . 9 1 1 A 96 96 MET HA H 96 3.037 3.772 -0.735 1
1 1153 . 9 1 1 A 96 96 MET CB C 96 33.348 32.707 0.641 1
1 1163 . 9 1 1 A 96 96 MET C C 96 176.993 178.653 -1.660 1
1 1164 . 9 1 1 A 97 97 ARG N N 97 116.593 118.916 -2.323 1
1 1165 . 9 1 1 A 97 97 ARG H H 97 7.668 8.380 -0.712 1
1 1166 . 9 1 1 A 97 97 ARG CA C 97 60.372 59.867 0.505 1
1 1167 . 9 1 1 A 97 97 ARG HA H 97 3.772 3.924 -0.152 1
1 1168 . 9 1 1 A 97 97 ARG CB C 97 29.627 29.858 -0.231 1
1 1177 . 9 1 1 A 97 97 ARG C C 97 177.718 178.872 -1.154 1
1 1178 . 9 1 1 A 98 98 LYS N N 98 118.000 118.923 -0.923 1
1 1179 . 9 1 1 A 98 98 LYS H H 98 7.279 7.757 -0.478 1
1 1180 . 9 1 1 A 98 98 LYS CA C 98 59.942 59.209 0.733 1
1 1181 . 9 1 1 A 98 98 LYS HA H 98 4.035 3.985 0.050 1
1 1182 . 9 1 1 A 98 98 LYS CB C 98 33.307 32.138 1.169 1
1 1194 . 9 1 1 A 98 98 LYS C C 98 178.861 179.105 -0.244 1
1 1195 . 9 1 1 A 99 99 ILE N N 99 119.736 120.688 -0.952 1
1 1196 . 9 1 1 A 99 99 ILE H H 99 8.298 7.726 0.572 1
1 1197 . 9 1 1 A 99 99 ILE CA C 99 65.451 65.394 0.057 1
1 1198 . 9 1 1 A 99 99 ILE HA H 99 3.473 3.541 -0.068 1
1 1199 . 9 1 1 A 99 99 ILE CB C 99 38.088 37.056 1.032 1
1 1212 . 9 1 1 A 99 99 ILE C C 99 181.472 177.656 3.816 1
1 1213 . 9 1 1 A 100 100 ALA N N 100 124.832 121.661 3.171 1
1 1214 . 9 1 1 A 100 100 ALA H H 100 8.473 7.794 0.679 1
1 1215 . 9 1 1 A 100 100 ALA CA C 100 54.623 54.619 0.004 1
1 1216 . 9 1 1 A 100 100 ALA HA H 100 4.481 4.110 0.371 1
1 1217 . 9 1 1 A 100 100 ALA CB C 100 19.106 18.032 1.074 1
1 1221 . 9 1 1 A 100 100 ALA C C 100 177.755 179.093 -1.338 1
1 1222 . 9 1 1 A 101 101 GLN N N 101 113.891 114.881 -0.990 1
1 1223 . 9 1 1 A 101 101 GLN H H 101 7.665 7.282 0.383 1
1 1224 . 9 1 1 A 101 101 GLN CA C 101 55.681 55.422 0.259 1
1 1225 . 9 1 1 A 101 101 GLN HA H 101 4.378 4.429 -0.051 1
1 1226 . 9 1 1 A 101 101 GLN CB C 101 28.879 28.581 0.298 1
1 1235 . 9 1 1 A 101 101 GLN C C 101 175.604 174.691 0.913 1
1 1236 . 9 1 1 A 102 102 CYS N N 102 114.274 116.033 -1.759 1
1 1237 . 9 1 1 A 102 102 CYS H H 102 8.300 7.834 0.466 1
1 1238 . 9 1 1 A 102 102 CYS CA C 102 58.700 60.540 -1.840 1
1 1239 . 9 1 1 A 102 102 CYS HA H 102 4.030 4.165 -0.135 1
1 1240 . 9 1 1 A 102 102 CYS CB C 102 24.987 25.897 -0.910 1
1 1243 . 9 1 1 A 102 102 CYS C C 102 174.186 173.517 0.669 1
1 1244 . 9 1 1 A 103 103 ALA N N 103 123.512 122.238 1.274 1
1 1245 . 9 1 1 A 103 103 ALA H H 103 8.175 7.682 0.493 1
1 1246 . 9 1 1 A 103 103 ALA CA C 103 50.841 49.212 1.629 1
1 1247 . 9 1 1 A 103 103 ALA HA H 103 4.458 4.586 -0.128 1
1 1248 . 9 1 1 A 103 103 ALA CB C 103 18.353 20.101 -1.748 1
1 1252 . 9 1 1 A 103 103 ALA C C 103 175.904 176.134 -0.230 1
1 1253 . 9 1 1 A 104 104 PRO CA C 104 64.290 63.725 0.565 1
1 1254 . 9 1 1 A 104 104 PRO HA H 104 4.315 4.313 0.002 1
1 1255 . 9 1 1 A 104 104 PRO CB C 104 32.028 32.038 -0.010 1
1 1264 . 9 1 1 A 104 104 PRO C C 104 178.173 177.177 0.996 1
1 1265 . 9 1 1 A 105 105 GLY N N 105 113.466 111.523 1.943 1
1 1266 . 9 1 1 A 105 105 GLY H H 105 9.036 8.514 0.522 1
1 1267 . 9 1 1 A 105 105 GLY CA C 105 45.935 45.639 0.296 1
1 1268 . 9 1 1 A 105 105 GLY HA2 H 105 4.044 3.957 0.087 1
1 1269 . 9 1 1 A 105 105 GLY HA3 H 105 3.832 3.960 -0.128 1
1 1270 . 9 1 1 A 105 105 GLY C C 105 174.928 173.643 1.285 1
1 1271 . 9 1 1 A 106 106 VAL N N 106 117.991 118.360 -0.369 1
1 1272 . 9 1 1 A 106 106 VAL H H 106 6.964 7.860 -0.896 1
1 1273 . 9 1 1 A 106 106 VAL CA C 106 66.071 64.203 1.868 1
1 1274 . 9 1 1 A 106 106 VAL HA H 106 3.842 4.247 -0.405 1
1 1275 . 9 1 1 A 106 106 VAL CB C 106 31.337 33.151 -1.814 1
1 1285 . 9 1 1 A 106 106 VAL C C 106 178.061 177.475 0.586 1
1 1286 . 9 1 1 A 107 107 VAL N N 107 121.474 120.409 1.065 1
1 1287 . 9 1 1 A 107 107 VAL H H 107 9.039 8.246 0.793 1
1 1288 . 9 1 1 A 107 107 VAL CA C 107 65.971 65.030 0.941 1
1 1289 . 9 1 1 A 107 107 VAL HA H 107 3.743 3.595 0.148 1
1 1290 . 9 1 1 A 107 107 VAL CB C 107 30.959 31.027 -0.068 1
1 1300 . 9 1 1 A 107 107 VAL C C 107 177.629 177.544 0.085 1
1 1301 . 9 1 1 A 108 108 GLU N N 108 126.242 122.300 3.942 1
1 1302 . 9 1 1 A 108 108 GLU H H 108 11.107 8.156 2.951 1
1 1303 . 9 1 1 A 108 108 GLU CA C 108 62.429 59.415 3.014 1
1 1304 . 9 1 1 A 108 108 GLU HA H 108 3.584 3.978 -0.394 1
1 1305 . 9 1 1 A 108 108 GLU CB C 108 28.863 29.149 -0.286 1
1 1311 . 9 1 1 A 108 108 GLU C C 108 176.878 179.427 -2.549 1
1 1312 . 9 1 1 A 109 109 LEU N N 109 114.111 119.886 -5.775 1
1 1313 . 9 1 1 A 109 109 LEU H H 109 7.474 7.911 -0.437 1
1 1314 . 9 1 1 A 109 109 LEU CA C 109 56.293 57.785 -1.492 1
1 1315 . 9 1 1 A 109 109 LEU HA H 109 4.024 4.037 -0.013 1
1 1316 . 9 1 1 A 109 109 LEU CB C 109 40.846 41.549 -0.703 1
1 1329 . 9 1 1 A 109 109 LEU C C 109 178.647 178.471 0.176 1
1 1330 . 9 1 1 A 110 110 VAL N N 110 116.984 118.126 -1.142 1
1 1331 . 9 1 1 A 110 110 VAL H H 110 7.557 7.478 0.079 1
1 1332 . 9 1 1 A 110 110 VAL CA C 110 64.274 64.785 -0.511 1
1 1333 . 9 1 1 A 110 110 VAL HA H 110 4.206 4.011 0.195 1
1 1334 . 9 1 1 A 110 110 VAL CB C 110 33.070 32.186 0.884 1
1 1344 . 9 1 1 A 110 110 VAL C C 110 176.435 177.654 -1.219 1
1 1345 . 9 1 1 A 111 111 LEU N N 111 118.461 120.702 -2.241 1
1 1346 . 9 1 1 A 111 111 LEU H H 111 8.453 8.008 0.445 1
1 1347 . 9 1 1 A 111 111 LEU CA C 111 58.047 57.658 0.389 1
1 1348 . 9 1 1 A 111 111 LEU HA H 111 4.003 4.128 -0.125 1
1 1349 . 9 1 1 A 111 111 LEU CB C 111 43.552 41.230 2.322 1
1 1362 . 9 1 1 A 111 111 LEU C C 111 177.274 179.226 -1.952 1
1 1363 . 9 1 1 A 112 112 ILE N N 112 115.835 119.775 -3.940 1
1 1364 . 9 1 1 A 112 112 ILE H H 112 7.850 8.075 -0.225 1
1 1365 . 9 1 1 A 112 112 ILE CA C 112 67.843 66.422 1.421 1
1 1366 . 9 1 1 A 112 112 ILE HA H 112 3.636 3.600 0.036 1
1 1367 . 9 1 1 A 112 112 ILE CB C 112 36.504 35.852 0.652 1
1 1380 . 9 1 1 A 112 112 ILE C C 112 176.487 175.067 1.420 1
1 1381 . 9 1 1 A 113 113 PRO CA C 113 64.872 65.526 -0.654 1
1 1382 . 9 1 1 A 113 113 PRO HA H 113 4.420 4.311 0.109 1
1 1383 . 9 1 1 A 113 113 PRO CB C 113 30.348 30.748 -0.400 1
1 1392 . 9 1 1 A 113 113 PRO C C 113 179.001 178.756 0.245 1
1 1393 . 9 1 1 A 114 114 LEU N N 114 120.690 117.963 2.727 1
1 1394 . 9 1 1 A 114 114 LEU H H 114 7.672 7.552 0.120 1
1 1395 . 9 1 1 A 114 114 LEU CA C 114 58.337 57.950 0.387 1
1 1396 . 9 1 1 A 114 114 LEU HA H 114 3.490 3.904 -0.414 1
1 1397 . 9 1 1 A 114 114 LEU CB C 114 41.840 41.821 0.019 1
1 1410 . 9 1 1 A 114 114 LEU C C 114 177.486 178.071 -0.585 1
1 1411 . 9 1 1 A 115 115 ARG N N 115 119.039 117.635 1.404 1
1 1412 . 9 1 1 A 115 115 ARG H H 115 8.159 7.678 0.481 1
1 1413 . 9 1 1 A 115 115 ARG CA C 115 60.199 58.631 1.568 1
1 1414 . 9 1 1 A 115 115 ARG HA H 115 3.215 3.656 -0.441 1
1 1415 . 9 1 1 A 115 115 ARG CB C 115 28.049 29.111 -1.062 1
1 1426 . 9 1 1 A 115 115 ARG C C 115 177.460 178.301 -0.841 1
1 1427 . 9 1 1 A 116 116 GLN N N 116 115.221 118.867 -3.646 1
1 1428 . 9 1 1 A 116 116 GLN H H 116 6.825 7.574 -0.749 1
1 1429 . 9 1 1 A 116 116 GLN CA C 116 58.838 59.076 -0.238 1
1 1430 . 9 1 1 A 116 116 GLN HA H 116 3.830 3.834 -0.004 1
1 1431 . 9 1 1 A 116 116 GLN CB C 116 27.871 28.272 -0.401 1
1 1440 . 9 1 1 A 116 116 GLN C C 116 178.648 178.549 0.099 1
1 1441 . 9 1 1 A 117 117 ARG N N 117 118.476 119.715 -1.239 1
1 1442 . 9 1 1 A 117 117 ARG H H 117 8.028 7.849 0.179 1
1 1443 . 9 1 1 A 117 117 ARG CA C 117 57.607 59.292 -1.685 1
1 1444 . 9 1 1 A 117 117 ARG HA H 117 4.117 4.069 0.048 1
1 1445 . 9 1 1 A 117 117 ARG CB C 117 30.040 30.199 -0.159 1
1 1454 . 9 1 1 A 117 117 ARG C C 117 179.370 178.639 0.731 1
1 1455 . 9 1 1 A 118 118 LEU N N 118 120.407 120.030 0.377 1
1 1456 . 9 1 1 A 118 118 LEU H H 118 8.533 8.067 0.466 1
1 1457 . 9 1 1 A 118 118 LEU CA C 118 58.295 57.792 0.503 1
1 1458 . 9 1 1 A 118 118 LEU HA H 118 3.950 3.977 -0.027 1
1 1459 . 9 1 1 A 118 118 LEU CB C 118 40.472 40.823 -0.351 1
1 1472 . 9 1 1 A 118 118 LEU C C 118 178.577 179.288 -0.711 1
1 1473 . 9 1 1 A 119 119 GLU N N 119 116.858 117.928 -1.070 1
1 1474 . 9 1 1 A 119 119 GLU H H 119 8.220 8.253 -0.033 1
1 1475 . 9 1 1 A 119 119 GLU CA C 119 59.441 59.885 -0.444 1
1 1476 . 9 1 1 A 119 119 GLU HA H 119 4.047 3.961 0.086 1
1 1477 . 9 1 1 A 119 119 GLU CB C 119 29.271 29.124 0.147 1
1 1483 . 9 1 1 A 119 119 GLU C C 119 179.631 179.166 0.465 1
1 1484 . 9 1 1 A 120 120 GLU N N 120 119.797 120.184 -0.387 1
1 1485 . 9 1 1 A 120 120 GLU H H 120 8.199 7.855 0.344 1
1 1486 . 9 1 1 A 120 120 GLU CA C 120 59.223 59.477 -0.254 1
1 1487 . 9 1 1 A 120 120 GLU HA H 120 4.062 4.073 -0.011 1
1 1488 . 9 1 1 A 120 120 GLU CB C 120 29.562 29.127 0.435 1
1 1494 . 9 1 1 A 120 120 GLU C C 120 178.823 179.089 -0.266 1
1 1495 . 9 1 1 A 121 121 ARG N N 121 118.760 119.065 -0.305 1
1 1496 . 9 1 1 A 121 121 ARG H H 121 7.928 8.206 -0.278 1
1 1497 . 9 1 1 A 121 121 ARG CA C 121 58.065 59.823 -1.758 1
1 1498 . 9 1 1 A 121 121 ARG HA H 121 4.136 4.099 0.037 1
1 1499 . 9 1 1 A 121 121 ARG CB C 121 29.478 30.152 -0.674 1
1 1508 . 9 1 1 A 121 121 ARG C C 121 178.426 179.191 -0.765 1
1 1509 . 9 1 1 A 122 122 GLN N N 122 119.430 119.871 -0.441 1
1 1510 . 9 1 1 A 122 122 GLN H H 122 8.323 8.593 -0.270 1
1 1511 . 9 1 1 A 122 122 GLN CA C 122 58.489 58.800 -0.311 1
1 1512 . 9 1 1 A 122 122 GLN HA H 122 4.352 4.338 0.014 1
1 1513 . 9 1 1 A 122 122 GLN CB C 122 29.611 28.665 0.946 1
1 1522 . 9 1 1 A 122 122 GLN C C 122 177.291 175.780 1.511 1
1 1523 . 9 1 1 A 123 123 ARG N N 123 118.341 115.757 2.584 1
1 1524 . 9 1 1 A 123 123 ARG H H 123 7.920 7.575 0.345 1
1 1525 . 9 1 1 A 123 123 ARG CA C 123 57.695 56.224 1.471 1
1 1526 . 9 1 1 A 123 123 ARG HA H 123 4.266 4.504 -0.238 1
1 1527 . 9 1 1 A 123 123 ARG CB C 123 30.671 31.029 -0.358 1
1 1536 . 9 1 1 A 123 123 ARG C C 123 177.214 175.792 1.422 1
1 1537 . 9 1 1 A 124 124 ARG N N 124 119.452 120.497 -1.045 1
1 1538 . 9 1 1 A 124 124 ARG H H 124 7.850 8.754 -0.904 1
1 1539 . 9 1 1 A 124 124 ARG CA C 124 56.814 54.109 2.705 1
1 1540 . 9 1 1 A 124 124 ARG HA H 124 4.300 4.949 -0.649 1
1 1541 . 9 1 1 A 124 124 ARG CB C 124 30.672 34.306 -3.634 1
1 1550 . 9 1 1 A 124 124 ARG C C 124 176.540 173.963 2.577 1
1 1551 . 9 1 1 A 125 125 ARG N N 125 120.963 122.676 -1.713 1
1 1552 . 9 1 1 A 125 125 ARG H H 125 8.081 8.633 -0.552 1
1 1553 . 9 1 1 A 125 125 ARG CA C 125 56.514 55.146 1.368 1
1 1554 . 9 1 1 A 125 125 ARG HA H 125 4.355 4.893 -0.538 1
1 1555 . 9 1 1 A 125 125 ARG CB C 125 30.694 31.880 -1.186 1
1 1564 . 9 1 1 A 125 125 ARG C C 125 176.133 174.760 1.373 1
1 1565 . 9 1 1 A 126 126 LYS N N 126 122.811 127.128 -4.317 1
1 1566 . 9 1 1 A 126 126 LYS H H 126 8.252 8.733 -0.481 1
1 1567 . 9 1 1 A 126 126 LYS CA C 126 56.430 54.308 2.122 1
1 1568 . 9 1 1 A 126 126 LYS HA H 126 4.351 5.029 -0.678 1
1 1569 . 9 1 1 A 126 126 LYS CB C 126 33.017 35.884 -2.867 1
1 1581 . 9 1 1 A 126 126 LYS C C 126 175.649 173.970 1.679 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.715 57.393 1.322 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.472 4.926 -0.454 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.934 66.183 -2.249 1
1 6 . 10 1 1 A 6 6 SER C C 6 174.927 172.336 2.591 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.435 107.688 2.747 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.348 8.677 -0.329 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.364 44.872 0.492 1
1 10 . 10 1 1 A 7 7 GLY HA2 H 7 3.919 4.217 -0.298 1
1 11 . 10 1 1 A 7 7 GLY HA3 H 7 3.919 4.218 -0.299 1
1 12 . 10 1 1 A 7 7 GLY C C 7 173.952 171.983 1.969 1
1 13 . 10 1 1 A 8 8 MET N N 8 119.481 122.681 -3.200 1
1 14 . 10 1 1 A 8 8 MET H H 8 8.163 8.975 -0.812 1
1 15 . 10 1 1 A 8 8 MET CA C 8 55.472 53.819 1.653 1
1 16 . 10 1 1 A 8 8 MET HA H 8 4.486 4.894 -0.408 1
1 17 . 10 1 1 A 8 8 MET CB C 8 33.598 33.987 -0.389 1
1 27 . 10 1 1 A 8 8 MET C C 8 176.019 174.556 1.463 1
1 28 . 10 1 1 A 9 9 ALA N N 9 125.433 130.442 -5.009 1
1 29 . 10 1 1 A 9 9 ALA H H 9 8.436 8.458 -0.022 1
1 30 . 10 1 1 A 9 9 ALA CA C 9 52.481 49.894 2.587 1
1 31 . 10 1 1 A 9 9 ALA HA H 9 4.381 4.742 -0.361 1
1 32 . 10 1 1 A 9 9 ALA CB C 9 19.322 22.161 -2.839 1
1 36 . 10 1 1 A 9 9 ALA C C 9 177.349 178.102 -0.753 1
1 37 . 10 1 1 A 10 10 SER N N 10 114.383 115.395 -1.012 1
1 38 . 10 1 1 A 10 10 SER H H 10 8.372 8.608 -0.236 1
1 39 . 10 1 1 A 10 10 SER CA C 10 58.607 61.624 -3.017 1
1 40 . 10 1 1 A 10 10 SER HA H 10 4.470 4.175 0.295 1
1 41 . 10 1 1 A 10 10 SER CB C 10 63.979 63.068 0.911 1
1 44 . 10 1 1 A 10 10 SER C C 10 174.323 173.932 0.391 1
1 45 . 10 1 1 A 11 11 SER N N 11 116.549 111.508 5.041 1
1 46 . 10 1 1 A 11 11 SER H H 11 8.111 7.966 0.145 1
1 47 . 10 1 1 A 11 11 SER CA C 11 58.189 56.120 2.069 1
1 48 . 10 1 1 A 11 11 SER HA H 11 4.487 4.859 -0.372 1
1 49 . 10 1 1 A 11 11 SER CB C 11 64.081 65.674 -1.593 1
1 52 . 10 1 1 A 11 11 SER C C 11 173.692 173.269 0.423 1
1 53 . 10 1 1 A 12 12 VAL N N 12 120.502 124.413 -3.911 1
1 54 . 10 1 1 A 12 12 VAL H H 12 8.207 8.670 -0.463 1
1 55 . 10 1 1 A 12 12 VAL CA C 12 61.847 62.268 -0.421 1
1 56 . 10 1 1 A 12 12 VAL HA H 12 4.150 4.276 -0.126 1
1 57 . 10 1 1 A 12 12 VAL CB C 12 33.269 32.506 0.763 1
1 67 . 10 1 1 A 12 12 VAL C C 12 174.930 175.793 -0.863 1
1 68 . 10 1 1 A 13 13 ASP N N 13 124.104 126.668 -2.564 1
1 69 . 10 1 1 A 13 13 ASP H H 13 7.953 8.565 -0.612 1
1 70 . 10 1 1 A 13 13 ASP CA C 13 53.249 52.373 0.876 1
1 71 . 10 1 1 A 13 13 ASP HA H 13 4.661 4.972 -0.311 1
1 72 . 10 1 1 A 13 13 ASP CB C 13 41.891 41.534 0.357 1
1 75 . 10 1 1 A 13 13 ASP C C 13 176.009 177.228 -1.219 1
1 76 . 10 1 1 A 14 14 GLU N N 14 120.197 118.832 1.365 1
1 77 . 10 1 1 A 14 14 GLU H H 14 8.568 8.731 -0.163 1
1 78 . 10 1 1 A 14 14 GLU CA C 14 59.932 59.796 0.136 1
1 79 . 10 1 1 A 14 14 GLU HA H 14 3.944 3.963 -0.019 1
1 80 . 10 1 1 A 14 14 GLU CB C 14 29.670 29.514 0.156 1
1 86 . 10 1 1 A 14 14 GLU C C 14 178.863 178.979 -0.116 1
1 87 . 10 1 1 A 15 15 GLU N N 15 120.713 120.163 0.550 1
1 88 . 10 1 1 A 15 15 GLU H H 15 8.312 8.180 0.132 1
1 89 . 10 1 1 A 15 15 GLU CA C 15 59.101 59.458 -0.357 1
1 90 . 10 1 1 A 15 15 GLU HA H 15 4.244 4.004 0.240 1
1 91 . 10 1 1 A 15 15 GLU CB C 15 28.917 29.382 -0.465 1
1 97 . 10 1 1 A 15 15 GLU C C 15 178.511 178.792 -0.281 1
1 98 . 10 1 1 A 16 16 ALA N N 16 123.041 121.931 1.110 1
1 99 . 10 1 1 A 16 16 ALA H H 16 8.047 7.748 0.299 1
1 100 . 10 1 1 A 16 16 ALA CA C 16 54.830 55.143 -0.313 1
1 101 . 10 1 1 A 16 16 ALA HA H 16 4.093 4.082 0.011 1
1 102 . 10 1 1 A 16 16 ALA CB C 16 18.371 18.446 -0.075 1
1 106 . 10 1 1 A 16 16 ALA C C 16 181.428 180.219 1.209 1
1 107 . 10 1 1 A 17 17 LEU N N 17 119.436 118.690 0.746 1
1 108 . 10 1 1 A 17 17 LEU H H 17 8.042 8.337 -0.295 1
1 109 . 10 1 1 A 17 17 LEU CA C 17 57.623 57.721 -0.098 1
1 110 . 10 1 1 A 17 17 LEU HA H 17 3.838 3.669 0.169 1
1 111 . 10 1 1 A 17 17 LEU CB C 17 41.323 41.762 -0.439 1
1 124 . 10 1 1 A 17 17 LEU C C 17 177.590 178.398 -0.808 1
1 125 . 10 1 1 A 18 18 HIS N N 18 118.394 117.693 0.701 1
1 126 . 10 1 1 A 18 18 HIS H H 18 8.182 7.805 0.377 1
1 127 . 10 1 1 A 18 18 HIS CA C 18 59.415 60.120 -0.705 1
1 128 . 10 1 1 A 18 18 HIS HA H 18 4.435 4.204 0.231 1
1 129 . 10 1 1 A 18 18 HIS CB C 18 29.560 29.733 -0.173 1
1 136 . 10 1 1 A 18 18 HIS C C 18 178.114 176.668 1.446 1
1 137 . 10 1 1 A 19 19 GLN N N 19 115.623 116.679 -1.056 1
1 138 . 10 1 1 A 19 19 GLN H H 19 8.178 7.802 0.376 1
1 139 . 10 1 1 A 19 19 GLN CA C 19 58.406 58.995 -0.589 1
1 140 . 10 1 1 A 19 19 GLN HA H 19 3.904 3.763 0.141 1
1 141 . 10 1 1 A 19 19 GLN CB C 19 28.118 28.359 -0.241 1
1 150 . 10 1 1 A 19 19 GLN C C 19 179.132 178.189 0.943 1
1 151 . 10 1 1 A 20 20 LEU N N 20 122.817 120.729 2.088 1
1 152 . 10 1 1 A 20 20 LEU H H 20 7.949 7.874 0.075 1
1 153 . 10 1 1 A 20 20 LEU CA C 20 58.278 57.575 0.703 1
1 154 . 10 1 1 A 20 20 LEU HA H 20 4.233 4.094 0.139 1
1 155 . 10 1 1 A 20 20 LEU CB C 20 40.850 41.647 -0.797 1
1 168 . 10 1 1 A 20 20 LEU C C 20 178.466 178.096 0.370 1
1 169 . 10 1 1 A 21 21 TYR N N 21 118.825 118.910 -0.085 1
1 170 . 10 1 1 A 21 21 TYR H H 21 8.376 7.832 0.544 1
1 171 . 10 1 1 A 21 21 TYR CA C 21 60.605 61.607 -1.002 1
1 172 . 10 1 1 A 21 21 TYR HA H 21 4.286 4.277 0.009 1
1 173 . 10 1 1 A 21 21 TYR CB C 21 36.667 37.633 -0.966 1
1 184 . 10 1 1 A 21 21 TYR C C 21 178.654 178.399 0.255 1
1 185 . 10 1 1 A 22 22 LEU N N 22 118.954 120.618 -1.664 1
1 186 . 10 1 1 A 22 22 LEU H H 22 7.869 7.922 -0.053 1
1 187 . 10 1 1 A 22 22 LEU CA C 22 57.887 57.100 0.787 1
1 188 . 10 1 1 A 22 22 LEU HA H 22 4.076 4.048 0.028 1
1 189 . 10 1 1 A 22 22 LEU CB C 22 42.250 41.612 0.638 1
1 202 . 10 1 1 A 22 22 LEU C C 22 178.877 178.966 -0.089 1
1 203 . 10 1 1 A 23 23 TRP N N 23 120.668 120.437 0.231 1
1 204 . 10 1 1 A 23 23 TRP H H 23 7.804 8.205 -0.401 1
1 205 . 10 1 1 A 23 23 TRP CA C 23 60.711 61.270 -0.559 1
1 206 . 10 1 1 A 23 23 TRP HA H 23 4.436 4.086 0.350 1
1 207 . 10 1 1 A 23 23 TRP CB C 23 28.035 29.590 -1.555 1
1 222 . 10 1 1 A 23 23 TRP C C 23 178.471 178.506 -0.035 1
1 223 . 10 1 1 A 24 24 VAL N N 24 116.831 119.368 -2.537 1
1 224 . 10 1 1 A 24 24 VAL H H 24 8.503 7.589 0.914 1
1 225 . 10 1 1 A 24 24 VAL CA C 24 66.014 65.869 0.145 1
1 226 . 10 1 1 A 24 24 VAL HA H 24 3.084 2.877 0.207 1
1 227 . 10 1 1 A 24 24 VAL CB C 24 31.826 31.660 0.166 1
1 237 . 10 1 1 A 24 24 VAL C C 24 178.212 177.392 0.820 1
1 238 . 10 1 1 A 25 25 ASP N N 25 117.894 120.006 -2.112 1
1 239 . 10 1 1 A 25 25 ASP H H 25 8.140 7.802 0.338 1
1 240 . 10 1 1 A 25 25 ASP CA C 25 57.043 57.487 -0.444 1
1 241 . 10 1 1 A 25 25 ASP HA H 25 4.290 4.250 0.040 1
1 242 . 10 1 1 A 25 25 ASP CB C 25 41.067 40.655 0.412 1
1 245 . 10 1 1 A 25 25 ASP C C 25 177.163 177.588 -0.425 1
1 246 . 10 1 1 A 26 26 ASN N N 26 114.914 116.864 -1.950 1
1 247 . 10 1 1 A 26 26 ASN H H 26 7.229 7.880 -0.651 1
1 248 . 10 1 1 A 26 26 ASN CA C 26 53.375 56.522 -3.147 1
1 249 . 10 1 1 A 26 26 ASN HA H 26 4.607 4.304 0.303 1
1 250 . 10 1 1 A 26 26 ASN CB C 26 40.048 38.689 1.359 1
1 256 . 10 1 1 A 26 26 ASN C C 26 174.227 175.847 -1.620 1
1 257 . 10 1 1 A 27 27 ILE N N 27 123.268 119.235 4.033 1
1 258 . 10 1 1 A 27 27 ILE H H 27 7.212 7.532 -0.320 1
1 259 . 10 1 1 A 27 27 ILE CA C 27 58.327 60.286 -1.959 1
1 260 . 10 1 1 A 27 27 ILE HA H 27 3.628 3.828 -0.200 1
1 261 . 10 1 1 A 27 27 ILE CB C 27 39.403 38.022 1.381 1
1 274 . 10 1 1 A 27 27 ILE C C 27 173.764 174.710 -0.946 1
1 275 . 10 1 1 A 28 28 PRO CA C 28 62.584 62.386 0.198 1
1 276 . 10 1 1 A 28 28 PRO HA H 28 4.354 4.688 -0.334 1
1 277 . 10 1 1 A 28 28 PRO CB C 28 30.056 30.694 -0.638 1
1 286 . 10 1 1 A 28 28 PRO C C 28 175.419 175.812 -0.393 1
1 287 . 10 1 1 A 29 29 LEU N N 29 125.355 122.058 3.297 1
1 288 . 10 1 1 A 29 29 LEU H H 29 8.118 8.111 0.007 1
1 289 . 10 1 1 A 29 29 LEU CA C 29 53.358 55.418 -2.060 1
1 290 . 10 1 1 A 29 29 LEU HA H 29 4.748 4.317 0.431 1
1 291 . 10 1 1 A 29 29 LEU CB C 29 45.279 43.432 1.847 1
1 304 . 10 1 1 A 29 29 LEU C C 29 178.577 176.469 2.108 1
1 305 . 10 1 1 A 31 31 ARG CA C 31 53.250 60.879 -7.629 1
1 306 . 10 1 1 A 31 31 ARG HA H 31 4.787 4.076 0.711 1
1 307 . 10 1 1 A 31 31 ARG CB C 31 32.107 28.579 3.528 1
1 316 . 10 1 1 A 32 32 PRO CA C 32 62.865 62.881 -0.016 1
1 317 . 10 1 1 A 32 32 PRO HA H 32 4.300 4.556 -0.256 1
1 318 . 10 1 1 A 32 32 PRO CB C 32 32.193 31.753 0.440 1
1 327 . 10 1 1 A 33 33 LYS CA C 33 56.154 57.463 -1.309 1
1 328 . 10 1 1 A 33 33 LYS HA H 33 4.361 4.072 0.289 1
1 329 . 10 1 1 A 33 33 LYS CB C 33 32.368 31.945 0.423 1
1 341 . 10 1 1 A 34 34 ARG N N 34 122.768 118.876 3.892 1
1 342 . 10 1 1 A 34 34 ARG H H 34 8.410 8.233 0.177 1
1 343 . 10 1 1 A 34 34 ARG HA H 34 4.336 4.651 -0.315 1
1 344 . 10 1 1 A 34 34 ARG CB C 34 31.894 32.985 -1.091 1
1 349 . 10 1 1 A 35 35 ASN CA C 35 53.153 52.177 0.976 1
1 350 . 10 1 1 A 35 35 ASN HA H 35 4.771 5.066 -0.295 1
1 351 . 10 1 1 A 35 35 ASN CB C 35 39.425 41.289 -1.864 1
1 357 . 10 1 1 A 36 36 LEU N N 36 110.943 123.095 -12.152 1
1 358 . 10 1 1 A 36 36 LEU H H 36 8.305 8.620 -0.315 1
1 359 . 10 1 1 A 36 36 LEU CA C 36 60.191 57.560 2.631 1
1 360 . 10 1 1 A 36 36 LEU HA H 36 4.140 4.227 -0.087 1
1 361 . 10 1 1 A 36 36 LEU CB C 36 41.876 42.164 -0.288 1
1 374 . 10 1 1 A 37 37 SER CA C 37 61.673 61.191 0.482 1
1 375 . 10 1 1 A 37 37 SER HA H 37 4.080 4.182 -0.102 1
1 376 . 10 1 1 A 37 37 SER CB C 37 62.700 62.987 -0.287 1
1 379 . 10 1 1 A 38 38 ARG N N 38 119.288 121.505 -2.217 1
1 380 . 10 1 1 A 38 38 ARG H H 38 7.773 7.761 0.012 1
1 381 . 10 1 1 A 38 38 ARG HA H 38 4.587 4.195 0.392 1
1 384 . 10 1 1 A 39 39 ASP N N 39 121.607 119.700 1.907 1
1 385 . 10 1 1 A 39 39 ASP H H 39 9.487 8.147 1.340 1
1 386 . 10 1 1 A 39 39 ASP CA C 39 58.026 57.255 0.771 1
1 387 . 10 1 1 A 39 39 ASP HA H 39 4.518 4.371 0.147 1
1 388 . 10 1 1 A 39 39 ASP CB C 39 40.039 40.884 -0.845 1
1 391 . 10 1 1 A 40 40 PHE N N 40 115.310 118.894 -3.584 1
1 392 . 10 1 1 A 40 40 PHE H H 40 8.300 8.757 -0.457 1
1 393 . 10 1 1 A 40 40 PHE CA C 40 59.420 61.197 -1.777 1
1 394 . 10 1 1 A 40 40 PHE HA H 40 4.605 4.188 0.417 1
1 395 . 10 1 1 A 40 40 PHE CB C 40 39.030 38.966 0.064 1
1 408 . 10 1 1 A 41 41 SER N N 41 115.417 114.608 0.809 1
1 409 . 10 1 1 A 41 41 SER H H 41 7.441 8.491 -1.050 1
1 410 . 10 1 1 A 41 41 SER CA C 41 62.290 61.876 0.414 1
1 411 . 10 1 1 A 41 41 SER HA H 41 4.341 4.262 0.079 1
1 412 . 10 1 1 A 41 41 SER CB C 41 64.510 63.246 1.264 1
1 415 . 10 1 1 A 42 42 ASP N N 42 117.563 118.309 -0.746 1
1 416 . 10 1 1 A 42 42 ASP H H 42 8.726 8.433 0.293 1
1 417 . 10 1 1 A 42 42 ASP CA C 42 53.746 56.145 -2.399 1
1 418 . 10 1 1 A 42 42 ASP HA H 42 4.780 4.528 0.252 1
1 419 . 10 1 1 A 42 42 ASP CB C 42 42.695 41.244 1.451 1
1 422 . 10 1 1 A 42 42 ASP C C 42 176.013 176.852 -0.839 1
1 423 . 10 1 1 A 43 43 GLY N N 43 106.643 108.291 -1.648 1
1 424 . 10 1 1 A 43 43 GLY H H 43 7.388 7.826 -0.438 1
1 425 . 10 1 1 A 43 43 GLY CA C 43 45.230 44.930 0.300 1
1 426 . 10 1 1 A 43 43 GLY HA2 H 43 3.131 3.355 -0.224 1
1 427 . 10 1 1 A 43 43 GLY HA3 H 43 2.588 3.538 -0.950 1
1 428 . 10 1 1 A 43 43 GLY C C 43 173.476 175.769 -2.293 1
1 429 . 10 1 1 A 44 44 VAL N N 44 121.300 120.350 0.950 1
1 430 . 10 1 1 A 44 44 VAL H H 44 7.874 8.314 -0.440 1
1 431 . 10 1 1 A 44 44 VAL CA C 44 67.198 65.404 1.794 1
1 432 . 10 1 1 A 44 44 VAL HA H 44 3.018 3.547 -0.529 1
1 433 . 10 1 1 A 44 44 VAL CB C 44 31.139 31.355 -0.216 1
1 443 . 10 1 1 A 44 44 VAL C C 44 177.853 177.631 0.222 1
1 444 . 10 1 1 A 45 45 LEU N N 45 114.495 120.418 -5.923 1
1 445 . 10 1 1 A 45 45 LEU H H 45 8.945 7.925 1.020 1
1 446 . 10 1 1 A 45 45 LEU CA C 45 57.466 57.830 -0.364 1
1 447 . 10 1 1 A 45 45 LEU HA H 45 3.838 3.813 0.025 1
1 448 . 10 1 1 A 45 45 LEU CB C 45 40.503 41.197 -0.694 1
1 461 . 10 1 1 A 45 45 LEU C C 45 179.257 178.503 0.754 1
1 462 . 10 1 1 A 46 46 VAL N N 46 118.354 118.825 -0.471 1
1 463 . 10 1 1 A 46 46 VAL H H 46 7.422 7.647 -0.225 1
1 464 . 10 1 1 A 46 46 VAL CA C 46 67.288 66.435 0.853 1
1 465 . 10 1 1 A 46 46 VAL HA H 46 3.469 3.231 0.238 1
1 466 . 10 1 1 A 46 46 VAL CB C 46 30.173 31.438 -1.265 1
1 476 . 10 1 1 A 46 46 VAL C C 46 176.954 177.980 -1.026 1
1 477 . 10 1 1 A 47 47 ALA N N 47 121.963 121.743 0.220 1
1 478 . 10 1 1 A 47 47 ALA H H 47 7.272 7.784 -0.512 1
1 479 . 10 1 1 A 47 47 ALA CA C 47 55.991 55.659 0.332 1
1 480 . 10 1 1 A 47 47 ALA HA H 47 3.576 3.862 -0.286 1
1 481 . 10 1 1 A 47 47 ALA CB C 47 17.292 18.193 -0.901 1
1 485 . 10 1 1 A 47 47 ALA C C 47 178.880 180.157 -1.277 1
1 486 . 10 1 1 A 48 48 GLU N N 48 116.763 118.267 -1.504 1
1 487 . 10 1 1 A 48 48 GLU H H 48 8.081 7.541 0.540 1
1 488 . 10 1 1 A 48 48 GLU CA C 48 60.605 59.443 1.162 1
1 489 . 10 1 1 A 48 48 GLU HA H 48 3.851 3.971 -0.120 1
1 490 . 10 1 1 A 48 48 GLU CB C 48 30.467 29.247 1.220 1
1 496 . 10 1 1 A 48 48 GLU C C 48 180.175 179.421 0.754 1
1 497 . 10 1 1 A 49 49 VAL N N 49 122.024 120.015 2.009 1
1 498 . 10 1 1 A 49 49 VAL H H 49 8.325 7.513 0.812 1
1 499 . 10 1 1 A 49 49 VAL CA C 49 67.146 66.644 0.502 1
1 500 . 10 1 1 A 49 49 VAL HA H 49 3.530 3.561 -0.031 1
1 501 . 10 1 1 A 49 49 VAL CB C 49 31.543 31.582 -0.039 1
1 511 . 10 1 1 A 49 49 VAL C C 49 177.168 178.132 -0.964 1
1 512 . 10 1 1 A 50 50 ILE N N 50 117.821 119.790 -1.969 1
1 513 . 10 1 1 A 50 50 ILE H H 50 7.947 7.923 0.024 1
1 514 . 10 1 1 A 50 50 ILE CA C 50 66.217 65.867 0.350 1
1 515 . 10 1 1 A 50 50 ILE HA H 50 3.757 3.765 -0.008 1
1 516 . 10 1 1 A 50 50 ILE CB C 50 37.952 37.980 -0.028 1
1 529 . 10 1 1 A 50 50 ILE C C 50 177.890 177.921 -0.031 1
1 530 . 10 1 1 A 51 51 LYS N N 51 121.589 120.968 0.621 1
1 531 . 10 1 1 A 51 51 LYS H H 51 8.790 8.138 0.652 1
1 532 . 10 1 1 A 51 51 LYS CA C 51 58.277 59.726 -1.449 1
1 533 . 10 1 1 A 51 51 LYS HA H 51 3.816 4.149 -0.333 1
1 534 . 10 1 1 A 51 51 LYS CB C 51 32.898 32.532 0.366 1
1 546 . 10 1 1 A 51 51 LYS C C 51 176.668 178.631 -1.963 1
1 547 . 10 1 1 A 52 52 PHE N N 52 117.622 119.994 -2.372 1
1 548 . 10 1 1 A 52 52 PHE H H 52 7.768 7.753 0.015 1
1 549 . 10 1 1 A 52 52 PHE CA C 52 60.585 61.530 -0.945 1
1 550 . 10 1 1 A 52 52 PHE HA H 52 4.090 4.018 0.072 1
1 551 . 10 1 1 A 52 52 PHE CB C 52 38.775 38.855 -0.080 1
1 564 . 10 1 1 A 52 52 PHE C C 52 176.831 176.795 0.036 1
1 565 . 10 1 1 A 53 53 TYR N N 53 115.876 116.433 -0.557 1
1 566 . 10 1 1 A 53 53 TYR H H 53 7.346 7.979 -0.633 1
1 567 . 10 1 1 A 53 53 TYR CA C 53 61.264 60.482 0.782 1
1 568 . 10 1 1 A 53 53 TYR HA H 53 3.697 4.203 -0.506 1
1 569 . 10 1 1 A 53 53 TYR CB C 53 41.522 38.228 3.294 1
1 580 . 10 1 1 A 53 53 TYR C C 53 175.972 175.616 0.356 1
1 581 . 10 1 1 A 54 54 PHE N N 54 116.478 116.580 -0.102 1
1 582 . 10 1 1 A 54 54 PHE H H 54 8.877 8.514 0.363 1
1 583 . 10 1 1 A 54 54 PHE CA C 54 55.553 54.980 0.573 1
1 584 . 10 1 1 A 54 54 PHE HA H 54 5.173 5.111 0.062 1
1 585 . 10 1 1 A 54 54 PHE CB C 54 40.841 39.431 1.410 1
1 598 . 10 1 1 A 54 54 PHE C C 54 173.424 174.670 -1.246 1
1 599 . 10 1 1 A 55 55 PRO CA C 55 65.147 64.778 0.369 1
1 600 . 10 1 1 A 55 55 PRO HA H 55 4.591 4.507 0.084 1
1 601 . 10 1 1 A 55 55 PRO CB C 55 32.014 32.026 -0.012 1
1 610 . 10 1 1 A 55 55 PRO C C 55 179.255 178.172 1.083 1
1 611 . 10 1 1 A 56 56 LYS N N 56 113.672 116.030 -2.358 1
1 612 . 10 1 1 A 56 56 LYS H H 56 8.639 8.873 -0.234 1
1 613 . 10 1 1 A 56 56 LYS CA C 56 56.918 58.695 -1.777 1
1 614 . 10 1 1 A 56 56 LYS HA H 56 4.384 4.110 0.274 1
1 615 . 10 1 1 A 56 56 LYS CB C 56 31.868 32.046 -0.178 1
1 627 . 10 1 1 A 56 56 LYS C C 56 178.220 179.089 -0.869 1
1 628 . 10 1 1 A 57 57 MET N N 57 116.692 118.446 -1.754 1
1 629 . 10 1 1 A 57 57 MET H H 57 8.099 8.198 -0.099 1
1 630 . 10 1 1 A 57 57 MET CA C 57 57.537 58.513 -0.976 1
1 631 . 10 1 1 A 57 57 MET HA H 57 4.260 4.245 0.015 1
1 632 . 10 1 1 A 57 57 MET CB C 57 35.400 33.025 2.375 1
1 642 . 10 1 1 A 57 57 MET C C 57 174.856 177.378 -2.522 1
1 643 . 10 1 1 A 58 58 VAL N N 58 114.727 118.175 -3.448 1
1 644 . 10 1 1 A 58 58 VAL H H 58 6.872 7.209 -0.337 1
1 645 . 10 1 1 A 58 58 VAL CA C 58 60.834 63.473 -2.639 1
1 646 . 10 1 1 A 58 58 VAL HA H 58 4.421 4.058 0.363 1
1 647 . 10 1 1 A 58 58 VAL CB C 58 36.223 31.986 4.237 1
1 657 . 10 1 1 A 58 58 VAL C C 58 173.747 175.738 -1.991 1
1 658 . 10 1 1 A 59 59 GLU N N 59 127.314 127.584 -0.270 1
1 659 . 10 1 1 A 59 59 GLU H H 59 8.783 9.101 -0.318 1
1 660 . 10 1 1 A 59 59 GLU CA C 59 54.465 57.630 -3.165 1
1 661 . 10 1 1 A 59 59 GLU HA H 59 4.671 4.411 0.260 1
1 662 . 10 1 1 A 59 59 GLU CB C 59 30.020 32.122 -2.102 1
1 668 . 10 1 1 A 59 59 GLU C C 59 176.450 176.468 -0.018 1
1 669 . 10 1 1 A 60 60 MET N N 60 122.273 117.823 4.450 1
1 670 . 10 1 1 A 60 60 MET H H 60 9.004 8.380 0.624 1
1 671 . 10 1 1 A 60 60 MET CA C 60 55.751 57.151 -1.400 1
1 672 . 10 1 1 A 60 60 MET HA H 60 4.613 4.414 0.199 1
1 673 . 10 1 1 A 60 60 MET CB C 60 29.356 31.017 -1.661 1
1 683 . 10 1 1 A 60 60 MET C C 60 178.387 176.224 2.163 1
1 684 . 10 1 1 A 61 61 HIS N N 61 115.823 114.805 1.018 1
1 685 . 10 1 1 A 61 61 HIS H H 61 8.198 8.219 -0.021 1
1 686 . 10 1 1 A 61 61 HIS CA C 61 57.963 56.968 0.995 1
1 687 . 10 1 1 A 61 61 HIS HA H 61 4.341 4.660 -0.319 1
1 688 . 10 1 1 A 61 61 HIS CB C 61 29.235 31.692 -2.457 1
1 695 . 10 1 1 A 61 61 HIS C C 61 175.800 175.783 0.017 1
1 696 . 10 1 1 A 62 62 ASN N N 62 115.093 114.942 0.151 1
1 697 . 10 1 1 A 62 62 ASN H H 62 6.895 7.734 -0.839 1
1 698 . 10 1 1 A 62 62 ASN CA C 62 54.503 54.545 -0.042 1
1 699 . 10 1 1 A 62 62 ASN HA H 62 3.872 4.622 -0.750 1
1 700 . 10 1 1 A 62 62 ASN CB C 62 38.749 39.456 -0.707 1
1 706 . 10 1 1 A 62 62 ASN C C 62 173.014 175.679 -2.665 1
1 707 . 10 1 1 A 63 63 TYR N N 63 118.560 118.219 0.341 1
1 708 . 10 1 1 A 63 63 TYR H H 63 7.255 7.495 -0.240 1
1 709 . 10 1 1 A 63 63 TYR CA C 63 56.311 59.119 -2.808 1
1 710 . 10 1 1 A 63 63 TYR HA H 63 4.481 4.652 -0.171 1
1 711 . 10 1 1 A 63 63 TYR CB C 63 39.138 39.678 -0.540 1
1 722 . 10 1 1 A 63 63 TYR C C 63 173.223 176.357 -3.134 1
1 723 . 10 1 1 A 64 64 VAL N N 64 122.318 122.336 -0.018 1
1 724 . 10 1 1 A 64 64 VAL H H 64 7.750 8.608 -0.858 1
1 725 . 10 1 1 A 64 64 VAL CA C 64 58.601 58.833 -0.232 1
1 726 . 10 1 1 A 64 64 VAL HA H 64 4.469 4.661 -0.192 1
1 727 . 10 1 1 A 64 64 VAL CB C 64 33.747 35.582 -1.835 1
1 737 . 10 1 1 A 64 64 VAL C C 64 173.983 174.093 -0.110 1
1 738 . 10 1 1 A 65 65 PRO CA C 65 63.212 62.286 0.926 1
1 739 . 10 1 1 A 65 65 PRO HA H 65 4.348 4.757 -0.409 1
1 740 . 10 1 1 A 65 65 PRO CB C 65 31.279 30.929 0.350 1
1 749 . 10 1 1 A 65 65 PRO C C 65 176.821 175.827 0.994 1
1 750 . 10 1 1 A 66 66 ALA N N 66 125.896 126.008 -0.112 1
1 751 . 10 1 1 A 66 66 ALA H H 66 8.563 8.425 0.138 1
1 752 . 10 1 1 A 66 66 ALA CA C 66 52.003 50.408 1.595 1
1 753 . 10 1 1 A 66 66 ALA HA H 66 4.651 4.787 -0.136 1
1 754 . 10 1 1 A 66 66 ALA CB C 66 24.137 22.532 1.605 1
1 758 . 10 1 1 A 66 66 ALA C C 66 176.244 177.486 -1.242 1
1 759 . 10 1 1 A 67 67 ASN CA C 67 52.862 53.430 -0.568 1
1 760 . 10 1 1 A 67 67 ASN HA H 67 4.988 4.730 0.258 1
1 761 . 10 1 1 A 67 67 ASN CB C 67 40.168 40.121 0.047 1
1 767 . 10 1 1 A 67 67 ASN C C 67 174.896 176.074 -1.178 1
1 768 . 10 1 1 A 68 68 SER N N 68 114.553 116.809 -2.256 1
1 769 . 10 1 1 A 68 68 SER H H 68 7.777 7.640 0.137 1
1 770 . 10 1 1 A 68 68 SER CA C 68 56.741 60.143 -3.402 1
1 771 . 10 1 1 A 68 68 SER HA H 68 4.737 4.347 0.390 1
1 772 . 10 1 1 A 68 68 SER CB C 68 65.267 63.947 1.320 1
1 775 . 10 1 1 A 68 68 SER C C 68 174.542 174.994 -0.452 1
1 776 . 10 1 1 A 69 69 LEU CA C 69 59.000 58.597 0.403 1
1 777 . 10 1 1 A 69 69 LEU HA H 69 3.961 4.124 -0.163 1
1 778 . 10 1 1 A 69 69 LEU CB C 69 41.679 41.248 0.431 1
1 791 . 10 1 1 A 69 69 LEU C C 69 178.629 178.803 -0.174 1
1 792 . 10 1 1 A 70 70 GLN N N 70 115.924 117.593 -1.669 1
1 793 . 10 1 1 A 70 70 GLN H H 70 8.785 8.424 0.361 1
1 794 . 10 1 1 A 70 70 GLN CA C 70 59.728 59.410 0.318 1
1 795 . 10 1 1 A 70 70 GLN HA H 70 3.977 3.933 0.044 1
1 796 . 10 1 1 A 70 70 GLN CB C 70 27.912 28.029 -0.117 1
1 805 . 10 1 1 A 70 70 GLN C C 70 178.954 178.881 0.073 1
1 806 . 10 1 1 A 71 71 GLN N N 71 118.694 119.052 -0.358 1
1 807 . 10 1 1 A 71 71 GLN H H 71 7.780 7.953 -0.173 1
1 808 . 10 1 1 A 71 71 GLN CA C 71 58.233 59.068 -0.835 1
1 809 . 10 1 1 A 71 71 GLN HA H 71 4.219 3.961 0.258 1
1 810 . 10 1 1 A 71 71 GLN CB C 71 29.089 28.282 0.807 1
1 819 . 10 1 1 A 71 71 GLN C C 71 178.724 178.540 0.184 1
1 820 . 10 1 1 A 72 72 LYS N N 72 119.661 119.938 -0.277 1
1 821 . 10 1 1 A 72 72 LYS H H 72 8.094 7.792 0.302 1
1 822 . 10 1 1 A 72 72 LYS CA C 72 61.528 59.388 2.140 1
1 823 . 10 1 1 A 72 72 LYS HA H 72 4.206 4.045 0.161 1
1 824 . 10 1 1 A 72 72 LYS CB C 72 33.806 32.306 1.500 1
1 836 . 10 1 1 A 72 72 LYS C C 72 179.041 179.217 -0.176 1
1 837 . 10 1 1 A 73 73 LEU N N 73 117.098 120.737 -3.639 1
1 838 . 10 1 1 A 73 73 LEU H H 73 8.602 7.865 0.737 1
1 839 . 10 1 1 A 73 73 LEU CA C 73 58.118 57.837 0.281 1
1 840 . 10 1 1 A 73 73 LEU HA H 73 4.287 4.144 0.143 1
1 841 . 10 1 1 A 73 73 LEU CB C 73 40.831 41.611 -0.780 1
1 854 . 10 1 1 A 73 73 LEU C C 73 180.838 178.954 1.884 1
1 855 . 10 1 1 A 74 74 SER N N 74 118.060 113.585 4.475 1
1 856 . 10 1 1 A 74 74 SER H H 74 8.334 8.386 -0.052 1
1 857 . 10 1 1 A 74 74 SER CA C 74 61.971 61.491 0.480 1
1 858 . 10 1 1 A 74 74 SER HA H 74 4.431 4.096 0.335 1
1 859 . 10 1 1 A 74 74 SER CB C 74 62.560 63.017 -0.457 1
1 862 . 10 1 1 A 74 74 SER C C 74 177.493 176.610 0.883 1
1 863 . 10 1 1 A 75 75 ASN N N 75 121.688 118.930 2.758 1
1 864 . 10 1 1 A 75 75 ASN H H 75 8.266 7.867 0.399 1
1 865 . 10 1 1 A 75 75 ASN CA C 75 56.090 56.199 -0.109 1
1 866 . 10 1 1 A 75 75 ASN HA H 75 4.739 4.315 0.424 1
1 867 . 10 1 1 A 75 75 ASN CB C 75 38.184 38.664 -0.480 1
1 873 . 10 1 1 A 75 75 ASN C C 75 177.792 178.242 -0.450 1
1 874 . 10 1 1 A 76 76 TRP N N 76 118.943 120.312 -1.369 1
1 875 . 10 1 1 A 76 76 TRP H H 76 8.510 8.405 0.105 1
1 876 . 10 1 1 A 76 76 TRP CA C 76 62.294 59.479 2.815 1
1 877 . 10 1 1 A 76 76 TRP HA H 76 4.173 4.196 -0.023 1
1 878 . 10 1 1 A 76 76 TRP CB C 76 29.223 28.818 0.405 1
1 893 . 10 1 1 A 76 76 TRP C C 76 178.579 179.179 -0.600 1
1 894 . 10 1 1 A 77 77 GLY N N 77 107.789 107.713 0.076 1
1 895 . 10 1 1 A 77 77 GLY H H 77 8.954 9.111 -0.157 1
1 896 . 10 1 1 A 77 77 GLY CA C 77 47.600 47.428 0.172 1
1 897 . 10 1 1 A 77 77 GLY HA2 H 77 4.122 3.887 0.235 1
1 898 . 10 1 1 A 77 77 GLY HA3 H 77 3.977 3.915 0.062 1
1 899 . 10 1 1 A 77 77 GLY C C 77 176.076 176.889 -0.813 1
1 900 . 10 1 1 A 78 78 HIS N N 78 122.925 120.227 2.698 1
1 901 . 10 1 1 A 78 78 HIS H H 78 8.127 8.174 -0.047 1
1 902 . 10 1 1 A 78 78 HIS CA C 78 61.550 58.392 3.158 1
1 903 . 10 1 1 A 78 78 HIS HA H 78 4.206 4.841 -0.635 1
1 904 . 10 1 1 A 78 78 HIS CB C 78 30.794 29.113 1.681 1
1 911 . 10 1 1 A 78 78 HIS C C 78 177.572 177.854 -0.282 1
1 912 . 10 1 1 A 79 79 LEU N N 79 120.009 120.566 -0.557 1
1 913 . 10 1 1 A 79 79 LEU H H 79 8.726 8.185 0.541 1
1 914 . 10 1 1 A 79 79 LEU CA C 79 58.252 57.587 0.665 1
1 915 . 10 1 1 A 79 79 LEU HA H 79 4.227 4.109 0.118 1
1 916 . 10 1 1 A 79 79 LEU CB C 79 43.075 41.599 1.476 1
1 929 . 10 1 1 A 79 79 LEU C C 79 181.067 178.540 2.527 1
1 930 . 10 1 1 A 80 80 ASN N N 80 119.257 117.408 1.849 1
1 931 . 10 1 1 A 80 80 ASN H H 80 9.270 7.728 1.542 1
1 932 . 10 1 1 A 80 80 ASN CA C 80 57.279 55.614 1.665 1
1 933 . 10 1 1 A 80 80 ASN HA H 80 4.595 4.644 -0.049 1
1 934 . 10 1 1 A 80 80 ASN CB C 80 40.403 38.763 1.640 1
1 940 . 10 1 1 A 80 80 ASN C C 80 177.177 176.445 0.732 1
1 941 . 10 1 1 A 81 81 ARG N N 81 115.731 117.212 -1.481 1
1 942 . 10 1 1 A 81 81 ARG H H 81 8.085 8.331 -0.246 1
1 943 . 10 1 1 A 81 81 ARG CA C 81 59.249 56.267 2.982 1
1 944 . 10 1 1 A 81 81 ARG HA H 81 4.167 4.549 -0.382 1
1 945 . 10 1 1 A 81 81 ARG CB C 81 31.579 31.267 0.312 1
1 954 . 10 1 1 A 81 81 ARG C C 81 177.890 177.495 0.395 1
1 955 . 10 1 1 A 82 82 LYS N N 82 113.840 118.498 -4.658 1
1 956 . 10 1 1 A 82 82 LYS H H 82 8.691 8.386 0.305 1
1 957 . 10 1 1 A 82 82 LYS CA C 82 56.216 57.911 -1.695 1
1 958 . 10 1 1 A 82 82 LYS HA H 82 4.441 4.316 0.125 1
1 959 . 10 1 1 A 82 82 LYS CB C 82 32.964 33.578 -0.614 1
1 971 . 10 1 1 A 82 82 LYS C C 82 177.543 177.298 0.245 1
1 972 . 10 1 1 A 83 83 VAL N N 83 117.873 117.382 0.491 1
1 973 . 10 1 1 A 83 83 VAL H H 83 7.786 7.635 0.151 1
1 974 . 10 1 1 A 83 83 VAL CA C 83 64.939 64.236 0.703 1
1 975 . 10 1 1 A 83 83 VAL HA H 83 4.235 4.185 0.050 1
1 976 . 10 1 1 A 83 83 VAL CB C 83 34.046 32.315 1.731 1
1 986 . 10 1 1 A 83 83 VAL C C 83 176.945 177.809 -0.864 1
1 987 . 10 1 1 A 84 84 LEU N N 84 118.163 120.268 -2.105 1
1 988 . 10 1 1 A 84 84 LEU H H 84 9.200 8.256 0.944 1
1 989 . 10 1 1 A 84 84 LEU CA C 84 58.824 58.402 0.422 1
1 990 . 10 1 1 A 84 84 LEU HA H 84 3.898 3.954 -0.056 1
1 991 . 10 1 1 A 84 84 LEU CB C 84 38.418 41.748 -3.330 1
1 1004 . 10 1 1 A 84 84 LEU C C 84 179.874 178.958 0.916 1
1 1005 . 10 1 1 A 85 85 LYS N N 85 117.114 119.248 -2.134 1
1 1006 . 10 1 1 A 85 85 LYS H H 85 7.303 7.752 -0.449 1
1 1007 . 10 1 1 A 85 85 LYS CA C 85 59.436 59.719 -0.283 1
1 1008 . 10 1 1 A 85 85 LYS HA H 85 4.191 3.963 0.228 1
1 1009 . 10 1 1 A 85 85 LYS CB C 85 33.096 32.508 0.588 1
1 1021 . 10 1 1 A 85 85 LYS C C 85 180.286 178.934 1.352 1
1 1022 . 10 1 1 A 86 86 ARG N N 86 117.181 119.946 -2.765 1
1 1023 . 10 1 1 A 86 86 ARG H H 86 7.216 8.365 -1.149 1
1 1024 . 10 1 1 A 86 86 ARG CA C 86 57.924 58.991 -1.067 1
1 1025 . 10 1 1 A 86 86 ARG HA H 86 4.191 4.143 0.048 1
1 1026 . 10 1 1 A 86 86 ARG CB C 86 29.848 30.038 -0.190 1
1 1035 . 10 1 1 A 86 86 ARG C C 86 177.047 178.035 -0.988 1
1 1036 . 10 1 1 A 87 87 LEU N N 87 118.282 117.943 0.339 1
1 1037 . 10 1 1 A 87 87 LEU H H 87 7.584 8.096 -0.512 1
1 1038 . 10 1 1 A 87 87 LEU CA C 87 53.603 54.513 -0.910 1
1 1039 . 10 1 1 A 87 87 LEU HA H 87 4.339 4.395 -0.056 1
1 1040 . 10 1 1 A 87 87 LEU CB C 87 42.059 41.997 0.062 1
1 1053 . 10 1 1 A 87 87 LEU C C 87 175.182 176.128 -0.946 1
1 1054 . 10 1 1 A 88 88 ASN N N 88 115.016 117.454 -2.438 1
1 1055 . 10 1 1 A 88 88 ASN H H 88 7.932 8.016 -0.084 1
1 1056 . 10 1 1 A 88 88 ASN CA C 88 54.081 54.113 -0.032 1
1 1057 . 10 1 1 A 88 88 ASN HA H 88 4.384 4.395 -0.011 1
1 1058 . 10 1 1 A 88 88 ASN CB C 88 36.809 37.316 -0.507 1
1 1064 . 10 1 1 A 88 88 ASN C C 88 173.426 174.628 -1.202 1
1 1065 . 10 1 1 A 89 89 PHE N N 89 119.795 118.790 1.005 1
1 1066 . 10 1 1 A 89 89 PHE H H 89 7.739 7.896 -0.157 1
1 1067 . 10 1 1 A 89 89 PHE CA C 89 56.231 57.202 -0.971 1
1 1068 . 10 1 1 A 89 89 PHE HA H 89 4.887 4.880 0.007 1
1 1069 . 10 1 1 A 89 89 PHE CB C 89 43.188 42.389 0.799 1
1 1082 . 10 1 1 A 89 89 PHE C C 89 172.386 174.031 -1.645 1
1 1083 . 10 1 1 A 90 90 SER N N 90 117.020 118.118 -1.098 1
1 1084 . 10 1 1 A 90 90 SER H H 90 7.301 8.220 -0.919 1
1 1085 . 10 1 1 A 90 90 SER CA C 90 56.762 57.200 -0.438 1
1 1086 . 10 1 1 A 90 90 SER HA H 90 4.667 5.319 -0.652 1
1 1087 . 10 1 1 A 90 90 SER CB C 90 64.885 66.498 -1.613 1
1 1090 . 10 1 1 A 90 90 SER C C 90 172.726 172.610 0.116 1
1 1091 . 10 1 1 A 91 91 VAL N N 91 126.604 123.520 3.084 1
1 1092 . 10 1 1 A 91 91 VAL H H 91 8.959 8.983 -0.024 1
1 1093 . 10 1 1 A 91 91 VAL CA C 91 59.173 58.837 0.336 1
1 1094 . 10 1 1 A 91 91 VAL HA H 91 4.336 4.572 -0.236 1
1 1095 . 10 1 1 A 91 91 VAL CB C 91 33.703 35.608 -1.905 1
1 1105 . 10 1 1 A 91 91 VAL C C 91 173.886 173.919 -0.033 1
1 1106 . 10 1 1 A 92 92 PRO CA C 92 62.618 62.767 -0.149 1
1 1107 . 10 1 1 A 92 92 PRO HA H 92 4.481 4.642 -0.161 1
1 1108 . 10 1 1 A 92 92 PRO CB C 92 33.302 32.750 0.552 1
1 1117 . 10 1 1 A 92 92 PRO C C 92 177.410 176.685 0.725 1
1 1118 . 10 1 1 A 93 93 ASP N N 93 123.319 121.901 1.418 1
1 1119 . 10 1 1 A 93 93 ASP H H 93 8.854 8.726 0.128 1
1 1120 . 10 1 1 A 93 93 ASP CA C 93 58.347 56.562 1.785 1
1 1121 . 10 1 1 A 93 93 ASP HA H 93 4.298 4.398 -0.100 1
1 1122 . 10 1 1 A 93 93 ASP CB C 93 40.916 40.343 0.573 1
1 1125 . 10 1 1 A 93 93 ASP C C 93 178.221 177.792 0.429 1
1 1126 . 10 1 1 A 94 94 ASP N N 94 116.740 119.811 -3.071 1
1 1127 . 10 1 1 A 94 94 ASP H H 94 8.955 8.003 0.952 1
1 1128 . 10 1 1 A 94 94 ASP CA C 94 56.851 57.042 -0.191 1
1 1129 . 10 1 1 A 94 94 ASP HA H 94 4.222 4.509 -0.287 1
1 1130 . 10 1 1 A 94 94 ASP CB C 94 39.733 40.860 -1.127 1
1 1133 . 10 1 1 A 94 94 ASP C C 94 178.344 179.056 -0.712 1
1 1134 . 10 1 1 A 95 95 VAL N N 95 121.559 120.667 0.892 1
1 1135 . 10 1 1 A 95 95 VAL H H 95 6.935 8.048 -1.113 1
1 1136 . 10 1 1 A 95 95 VAL CA C 95 66.007 66.303 -0.296 1
1 1137 . 10 1 1 A 95 95 VAL HA H 95 3.378 3.506 -0.128 1
1 1138 . 10 1 1 A 95 95 VAL CB C 95 31.712 31.445 0.267 1
1 1148 . 10 1 1 A 95 95 VAL C C 95 177.153 178.068 -0.915 1
1 1149 . 10 1 1 A 96 96 MET N N 96 118.492 118.183 0.309 1
1 1150 . 10 1 1 A 96 96 MET H H 96 7.993 7.604 0.389 1
1 1151 . 10 1 1 A 96 96 MET CA C 96 60.318 58.445 1.873 1
1 1152 . 10 1 1 A 96 96 MET HA H 96 3.037 3.883 -0.846 1
1 1153 . 10 1 1 A 96 96 MET CB C 96 33.348 33.071 0.277 1
1 1163 . 10 1 1 A 96 96 MET C C 96 176.993 178.727 -1.734 1
1 1164 . 10 1 1 A 97 97 ARG N N 97 116.593 118.817 -2.224 1
1 1165 . 10 1 1 A 97 97 ARG H H 97 7.668 7.623 0.045 1
1 1166 . 10 1 1 A 97 97 ARG CA C 97 60.372 59.910 0.462 1
1 1167 . 10 1 1 A 97 97 ARG HA H 97 3.772 3.951 -0.179 1
1 1168 . 10 1 1 A 97 97 ARG CB C 97 29.627 29.942 -0.315 1
1 1177 . 10 1 1 A 97 97 ARG C C 97 177.718 178.832 -1.114 1
1 1178 . 10 1 1 A 98 98 LYS N N 98 118.000 119.282 -1.282 1
1 1179 . 10 1 1 A 98 98 LYS H H 98 7.279 7.181 0.098 1
1 1180 . 10 1 1 A 98 98 LYS CA C 98 59.942 59.198 0.744 1
1 1181 . 10 1 1 A 98 98 LYS HA H 98 4.035 4.024 0.011 1
1 1182 . 10 1 1 A 98 98 LYS CB C 98 33.307 32.281 1.026 1
1 1194 . 10 1 1 A 98 98 LYS C C 98 178.861 179.254 -0.393 1
1 1195 . 10 1 1 A 99 99 ILE N N 99 119.736 120.221 -0.485 1
1 1196 . 10 1 1 A 99 99 ILE H H 99 8.298 7.744 0.554 1
1 1197 . 10 1 1 A 99 99 ILE CA C 99 65.451 65.163 0.288 1
1 1198 . 10 1 1 A 99 99 ILE HA H 99 3.473 3.599 -0.126 1
1 1199 . 10 1 1 A 99 99 ILE CB C 99 38.088 37.312 0.776 1
1 1212 . 10 1 1 A 99 99 ILE C C 99 181.472 177.880 3.592 1
1 1213 . 10 1 1 A 100 100 ALA N N 100 124.832 122.429 2.403 1
1 1214 . 10 1 1 A 100 100 ALA H H 100 8.473 8.157 0.316 1
1 1215 . 10 1 1 A 100 100 ALA CA C 100 54.623 54.631 -0.008 1
1 1216 . 10 1 1 A 100 100 ALA HA H 100 4.481 4.044 0.437 1
1 1217 . 10 1 1 A 100 100 ALA CB C 100 19.106 18.063 1.043 1
1 1221 . 10 1 1 A 100 100 ALA C C 100 177.755 179.200 -1.445 1
1 1222 . 10 1 1 A 101 101 GLN N N 101 113.891 114.518 -0.627 1
1 1223 . 10 1 1 A 101 101 GLN H H 101 7.665 7.660 0.005 1
1 1224 . 10 1 1 A 101 101 GLN CA C 101 55.681 55.446 0.235 1
1 1225 . 10 1 1 A 101 101 GLN HA H 101 4.378 4.395 -0.017 1
1 1226 . 10 1 1 A 101 101 GLN CB C 101 28.879 28.743 0.136 1
1 1235 . 10 1 1 A 101 101 GLN C C 101 175.604 174.796 0.808 1
1 1236 . 10 1 1 A 102 102 CYS N N 102 114.274 116.429 -2.155 1
1 1237 . 10 1 1 A 102 102 CYS H H 102 8.300 7.953 0.347 1
1 1238 . 10 1 1 A 102 102 CYS CA C 102 58.700 60.539 -1.839 1
1 1239 . 10 1 1 A 102 102 CYS HA H 102 4.030 4.173 -0.143 1
1 1240 . 10 1 1 A 102 102 CYS CB C 102 24.987 26.066 -1.079 1
1 1243 . 10 1 1 A 102 102 CYS C C 102 174.186 173.451 0.735 1
1 1244 . 10 1 1 A 103 103 ALA N N 103 123.512 122.101 1.411 1
1 1245 . 10 1 1 A 103 103 ALA H H 103 8.175 7.911 0.264 1
1 1246 . 10 1 1 A 103 103 ALA CA C 103 50.841 49.367 1.474 1
1 1247 . 10 1 1 A 103 103 ALA HA H 103 4.458 4.575 -0.117 1
1 1248 . 10 1 1 A 103 103 ALA CB C 103 18.353 19.999 -1.646 1
1 1252 . 10 1 1 A 103 103 ALA C C 103 175.904 176.249 -0.345 1
1 1253 . 10 1 1 A 104 104 PRO CA C 104 64.290 63.846 0.444 1
1 1254 . 10 1 1 A 104 104 PRO HA H 104 4.315 4.322 -0.007 1
1 1255 . 10 1 1 A 104 104 PRO CB C 104 32.028 31.359 0.669 1
1 1264 . 10 1 1 A 104 104 PRO C C 104 178.173 177.457 0.716 1
1 1265 . 10 1 1 A 105 105 GLY N N 105 113.466 112.061 1.405 1
1 1266 . 10 1 1 A 105 105 GLY H H 105 9.036 8.835 0.201 1
1 1267 . 10 1 1 A 105 105 GLY CA C 105 45.935 45.613 0.322 1
1 1268 . 10 1 1 A 105 105 GLY HA2 H 105 4.044 3.958 0.086 1
1 1269 . 10 1 1 A 105 105 GLY HA3 H 105 3.832 3.966 -0.134 1
1 1270 . 10 1 1 A 105 105 GLY C C 105 174.928 176.023 -1.095 1
1 1271 . 10 1 1 A 106 106 VAL N N 106 117.991 120.662 -2.671 1
1 1272 . 10 1 1 A 106 106 VAL H H 106 6.964 8.169 -1.205 1
1 1273 . 10 1 1 A 106 106 VAL CA C 106 66.071 65.725 0.346 1
1 1274 . 10 1 1 A 106 106 VAL HA H 106 3.842 3.631 0.211 1
1 1275 . 10 1 1 A 106 106 VAL CB C 106 31.337 31.682 -0.345 1
1 1285 . 10 1 1 A 106 106 VAL C C 106 178.061 177.667 0.394 1
1 1286 . 10 1 1 A 107 107 VAL N N 107 121.474 120.217 1.257 1
1 1287 . 10 1 1 A 107 107 VAL H H 107 9.039 8.292 0.747 1
1 1288 . 10 1 1 A 107 107 VAL CA C 107 65.971 65.287 0.684 1
1 1289 . 10 1 1 A 107 107 VAL HA H 107 3.743 3.690 0.053 1
1 1290 . 10 1 1 A 107 107 VAL CB C 107 30.959 31.532 -0.573 1
1 1300 . 10 1 1 A 107 107 VAL C C 107 177.629 177.812 -0.183 1
1 1301 . 10 1 1 A 108 108 GLU N N 108 126.242 121.215 5.027 1
1 1302 . 10 1 1 A 108 108 GLU H H 108 11.107 8.440 2.667 1
1 1303 . 10 1 1 A 108 108 GLU CA C 108 62.429 59.414 3.015 1
1 1304 . 10 1 1 A 108 108 GLU HA H 108 3.584 4.019 -0.435 1
1 1305 . 10 1 1 A 108 108 GLU CB C 108 28.863 29.333 -0.470 1
1 1311 . 10 1 1 A 108 108 GLU C C 108 176.878 179.054 -2.176 1
1 1312 . 10 1 1 A 109 109 LEU N N 109 114.111 119.904 -5.793 1
1 1313 . 10 1 1 A 109 109 LEU H H 109 7.474 8.639 -1.165 1
1 1314 . 10 1 1 A 109 109 LEU CA C 109 56.293 57.802 -1.509 1
1 1315 . 10 1 1 A 109 109 LEU HA H 109 4.024 4.058 -0.034 1
1 1316 . 10 1 1 A 109 109 LEU CB C 109 40.846 41.638 -0.792 1
1 1329 . 10 1 1 A 109 109 LEU C C 109 178.647 179.123 -0.476 1
1 1330 . 10 1 1 A 110 110 VAL N N 110 116.984 119.336 -2.352 1
1 1331 . 10 1 1 A 110 110 VAL H H 110 7.557 7.734 -0.177 1
1 1332 . 10 1 1 A 110 110 VAL CA C 110 64.274 65.238 -0.964 1
1 1333 . 10 1 1 A 110 110 VAL HA H 110 4.206 3.907 0.299 1
1 1334 . 10 1 1 A 110 110 VAL CB C 110 33.070 31.726 1.344 1
1 1344 . 10 1 1 A 110 110 VAL C C 110 176.435 178.337 -1.902 1
1 1345 . 10 1 1 A 111 111 LEU N N 111 118.461 119.887 -1.426 1
1 1346 . 10 1 1 A 111 111 LEU H H 111 8.453 7.969 0.484 1
1 1347 . 10 1 1 A 111 111 LEU CA C 111 58.047 57.671 0.376 1
1 1348 . 10 1 1 A 111 111 LEU HA H 111 4.003 4.163 -0.160 1
1 1349 . 10 1 1 A 111 111 LEU CB C 111 43.552 41.098 2.454 1
1 1362 . 10 1 1 A 111 111 LEU C C 111 177.274 179.447 -2.173 1
1 1363 . 10 1 1 A 112 112 ILE N N 112 115.835 120.370 -4.535 1
1 1364 . 10 1 1 A 112 112 ILE H H 112 7.850 8.099 -0.249 1
1 1365 . 10 1 1 A 112 112 ILE CA C 112 67.843 66.382 1.461 1
1 1366 . 10 1 1 A 112 112 ILE HA H 112 3.636 3.674 -0.038 1
1 1367 . 10 1 1 A 112 112 ILE CB C 112 36.504 35.724 0.780 1
1 1380 . 10 1 1 A 112 112 ILE C C 112 176.487 175.221 1.266 1
1 1381 . 10 1 1 A 113 113 PRO CA C 113 64.872 65.592 -0.720 1
1 1382 . 10 1 1 A 113 113 PRO HA H 113 4.420 4.667 -0.247 1
1 1383 . 10 1 1 A 113 113 PRO CB C 113 30.348 30.763 -0.415 1
1 1392 . 10 1 1 A 113 113 PRO C C 113 179.001 178.755 0.246 1
1 1393 . 10 1 1 A 114 114 LEU N N 114 120.690 117.994 2.696 1
1 1394 . 10 1 1 A 114 114 LEU H H 114 7.672 7.587 0.085 1
1 1395 . 10 1 1 A 114 114 LEU CA C 114 58.337 57.774 0.563 1
1 1396 . 10 1 1 A 114 114 LEU HA H 114 3.490 3.939 -0.449 1
1 1397 . 10 1 1 A 114 114 LEU CB C 114 41.840 41.570 0.270 1
1 1410 . 10 1 1 A 114 114 LEU C C 114 177.486 178.343 -0.857 1
1 1411 . 10 1 1 A 115 115 ARG N N 115 119.039 118.980 0.059 1
1 1412 . 10 1 1 A 115 115 ARG H H 115 8.159 7.719 0.440 1
1 1413 . 10 1 1 A 115 115 ARG CA C 115 60.199 59.576 0.623 1
1 1414 . 10 1 1 A 115 115 ARG HA H 115 3.215 3.620 -0.405 1
1 1415 . 10 1 1 A 115 115 ARG CB C 115 28.049 29.013 -0.964 1
1 1426 . 10 1 1 A 115 115 ARG C C 115 177.460 178.151 -0.691 1
1 1427 . 10 1 1 A 116 116 GLN N N 116 115.221 117.999 -2.778 1
1 1428 . 10 1 1 A 116 116 GLN H H 116 6.825 7.613 -0.788 1
1 1429 . 10 1 1 A 116 116 GLN CA C 116 58.838 59.001 -0.163 1
1 1430 . 10 1 1 A 116 116 GLN HA H 116 3.830 3.810 0.020 1
1 1431 . 10 1 1 A 116 116 GLN CB C 116 27.871 28.136 -0.265 1
1 1440 . 10 1 1 A 116 116 GLN C C 116 178.648 178.985 -0.337 1
1 1441 . 10 1 1 A 117 117 ARG N N 117 118.476 119.707 -1.231 1
1 1442 . 10 1 1 A 117 117 ARG H H 117 8.028 7.487 0.541 1
1 1443 . 10 1 1 A 117 117 ARG CA C 117 57.607 59.181 -1.574 1
1 1444 . 10 1 1 A 117 117 ARG HA H 117 4.117 4.081 0.036 1
1 1445 . 10 1 1 A 117 117 ARG CB C 117 30.040 30.374 -0.334 1
1 1454 . 10 1 1 A 117 117 ARG C C 117 179.370 178.403 0.967 1
1 1455 . 10 1 1 A 118 118 LEU N N 118 120.407 119.952 0.455 1
1 1456 . 10 1 1 A 118 118 LEU H H 118 8.533 7.957 0.576 1
1 1457 . 10 1 1 A 118 118 LEU CA C 118 58.295 57.980 0.315 1
1 1458 . 10 1 1 A 118 118 LEU HA H 118 3.950 4.151 -0.201 1
1 1459 . 10 1 1 A 118 118 LEU CB C 118 40.472 41.353 -0.881 1
1 1472 . 10 1 1 A 118 118 LEU C C 118 178.577 179.441 -0.864 1
1 1473 . 10 1 1 A 119 119 GLU N N 119 116.858 118.155 -1.297 1
1 1474 . 10 1 1 A 119 119 GLU H H 119 8.220 7.729 0.491 1
1 1475 . 10 1 1 A 119 119 GLU CA C 119 59.441 59.662 -0.221 1
1 1476 . 10 1 1 A 119 119 GLU HA H 119 4.047 3.944 0.103 1
1 1477 . 10 1 1 A 119 119 GLU CB C 119 29.271 29.296 -0.025 1
1 1483 . 10 1 1 A 119 119 GLU C C 119 179.631 179.448 0.183 1
1 1484 . 10 1 1 A 120 120 GLU N N 120 119.797 120.258 -0.461 1
1 1485 . 10 1 1 A 120 120 GLU H H 120 8.199 8.056 0.143 1
1 1486 . 10 1 1 A 120 120 GLU CA C 120 59.223 59.639 -0.416 1
1 1487 . 10 1 1 A 120 120 GLU HA H 120 4.062 3.991 0.071 1
1 1488 . 10 1 1 A 120 120 GLU CB C 120 29.562 29.322 0.240 1
1 1494 . 10 1 1 A 120 120 GLU C C 120 178.823 178.657 0.166 1
1 1495 . 10 1 1 A 121 121 ARG N N 121 118.760 118.944 -0.184 1
1 1496 . 10 1 1 A 121 121 ARG H H 121 7.928 7.750 0.178 1
1 1497 . 10 1 1 A 121 121 ARG CA C 121 58.065 58.229 -0.164 1
1 1498 . 10 1 1 A 121 121 ARG HA H 121 4.136 4.248 -0.112 1
1 1499 . 10 1 1 A 121 121 ARG CB C 121 29.478 30.922 -1.444 1
1 1508 . 10 1 1 A 121 121 ARG C C 121 178.426 178.832 -0.406 1
1 1509 . 10 1 1 A 122 122 GLN N N 122 119.430 119.884 -0.454 1
1 1510 . 10 1 1 A 122 122 GLN H H 122 8.323 8.034 0.289 1
1 1511 . 10 1 1 A 122 122 GLN CA C 122 58.489 59.318 -0.829 1
1 1512 . 10 1 1 A 122 122 GLN HA H 122 4.352 4.253 0.099 1
1 1513 . 10 1 1 A 122 122 GLN CB C 122 29.611 28.837 0.774 1
1 1522 . 10 1 1 A 122 122 GLN C C 122 177.291 175.794 1.497 1
1 1523 . 10 1 1 A 123 123 ARG N N 123 118.341 115.965 2.376 1
1 1524 . 10 1 1 A 123 123 ARG H H 123 7.920 7.353 0.567 1
1 1525 . 10 1 1 A 123 123 ARG CA C 123 57.695 56.176 1.519 1
1 1526 . 10 1 1 A 123 123 ARG HA H 123 4.266 4.389 -0.123 1
1 1527 . 10 1 1 A 123 123 ARG CB C 123 30.671 30.924 -0.253 1
1 1536 . 10 1 1 A 123 123 ARG C C 123 177.214 175.521 1.693 1
1 1537 . 10 1 1 A 124 124 ARG N N 124 119.452 119.277 0.175 1
1 1538 . 10 1 1 A 124 124 ARG H H 124 7.850 8.781 -0.931 1
1 1539 . 10 1 1 A 124 124 ARG CA C 124 56.814 54.200 2.614 1
1 1540 . 10 1 1 A 124 124 ARG HA H 124 4.300 4.955 -0.655 1
1 1541 . 10 1 1 A 124 124 ARG CB C 124 30.672 33.968 -3.296 1
1 1550 . 10 1 1 A 124 124 ARG C C 124 176.540 175.480 1.060 1
1 1551 . 10 1 1 A 125 125 ARG N N 125 120.963 122.662 -1.699 1
1 1552 . 10 1 1 A 125 125 ARG H H 125 8.081 8.461 -0.380 1
1 1553 . 10 1 1 A 125 125 ARG CA C 125 56.514 55.668 0.846 1
1 1554 . 10 1 1 A 125 125 ARG HA H 125 4.355 4.479 -0.124 1
1 1555 . 10 1 1 A 125 125 ARG CB C 125 30.694 29.667 1.027 1
1 1564 . 10 1 1 A 125 125 ARG C C 125 176.133 174.960 1.173 1
1 1565 . 10 1 1 A 126 126 LYS N N 126 122.811 125.211 -2.400 1
1 1566 . 10 1 1 A 126 126 LYS H H 126 8.252 8.513 -0.261 1
1 1567 . 10 1 1 A 126 126 LYS CA C 126 56.430 54.552 1.878 1
1 1568 . 10 1 1 A 126 126 LYS HA H 126 4.351 4.773 -0.422 1
1 1569 . 10 1 1 A 126 126 LYS CB C 126 33.017 34.970 -1.953 1
1 1581 . 10 1 1 A 126 126 LYS C C 126 175.649 175.555 0.094 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.715 57.584 1.131 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.472 4.994 -0.522 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.934 66.538 -2.604 1
1 6 . 11 1 1 A 6 6 SER C C 6 174.927 173.345 1.582 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.435 111.379 -0.944 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.348 8.670 -0.322 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.364 45.646 -0.282 1
1 10 . 11 1 1 A 7 7 GLY HA2 H 7 3.919 4.037 -0.118 1
1 11 . 11 1 1 A 7 7 GLY HA3 H 7 3.919 4.037 -0.118 1
1 12 . 11 1 1 A 7 7 GLY C C 7 173.952 172.916 1.036 1
1 13 . 11 1 1 A 8 8 MET N N 8 119.481 124.924 -5.443 1
1 14 . 11 1 1 A 8 8 MET H H 8 8.163 8.648 -0.485 1
1 15 . 11 1 1 A 8 8 MET CA C 8 55.472 54.353 1.119 1
1 16 . 11 1 1 A 8 8 MET HA H 8 4.486 4.767 -0.281 1
1 17 . 11 1 1 A 8 8 MET CB C 8 33.598 31.654 1.944 1
1 27 . 11 1 1 A 8 8 MET C C 8 176.019 174.964 1.055 1
1 28 . 11 1 1 A 9 9 ALA N N 9 125.433 127.602 -2.169 1
1 29 . 11 1 1 A 9 9 ALA H H 9 8.436 8.043 0.393 1
1 30 . 11 1 1 A 9 9 ALA CA C 9 52.481 51.525 0.956 1
1 31 . 11 1 1 A 9 9 ALA HA H 9 4.381 4.602 -0.221 1
1 32 . 11 1 1 A 9 9 ALA CB C 9 19.322 21.767 -2.445 1
1 36 . 11 1 1 A 9 9 ALA C C 9 177.349 176.855 0.494 1
1 37 . 11 1 1 A 10 10 SER N N 10 114.383 118.505 -4.122 1
1 38 . 11 1 1 A 10 10 SER H H 10 8.372 8.792 -0.420 1
1 39 . 11 1 1 A 10 10 SER CA C 10 58.607 59.137 -0.530 1
1 40 . 11 1 1 A 10 10 SER HA H 10 4.470 4.142 0.328 1
1 41 . 11 1 1 A 10 10 SER CB C 10 63.979 60.933 3.046 1
1 44 . 11 1 1 A 10 10 SER C C 10 174.323 173.248 1.075 1
1 45 . 11 1 1 A 11 11 SER N N 11 116.549 116.158 0.391 1
1 46 . 11 1 1 A 11 11 SER H H 11 8.111 7.660 0.451 1
1 47 . 11 1 1 A 11 11 SER CA C 11 58.189 57.687 0.502 1
1 48 . 11 1 1 A 11 11 SER HA H 11 4.487 4.966 -0.479 1
1 49 . 11 1 1 A 11 11 SER CB C 11 64.081 66.761 -2.680 1
1 52 . 11 1 1 A 11 11 SER C C 11 173.692 172.920 0.772 1
1 53 . 11 1 1 A 12 12 VAL N N 12 120.502 122.682 -2.180 1
1 54 . 11 1 1 A 12 12 VAL H H 12 8.207 8.726 -0.519 1
1 55 . 11 1 1 A 12 12 VAL CA C 12 61.847 62.097 -0.250 1
1 56 . 11 1 1 A 12 12 VAL HA H 12 4.150 4.313 -0.163 1
1 57 . 11 1 1 A 12 12 VAL CB C 12 33.269 32.397 0.872 1
1 67 . 11 1 1 A 12 12 VAL C C 12 174.930 175.561 -0.631 1
1 68 . 11 1 1 A 13 13 ASP N N 13 124.104 125.607 -1.503 1
1 69 . 11 1 1 A 13 13 ASP H H 13 7.953 8.863 -0.910 1
1 70 . 11 1 1 A 13 13 ASP CA C 13 53.249 53.533 -0.284 1
1 71 . 11 1 1 A 13 13 ASP HA H 13 4.661 4.865 -0.204 1
1 72 . 11 1 1 A 13 13 ASP CB C 13 41.891 41.753 0.138 1
1 75 . 11 1 1 A 13 13 ASP C C 13 176.009 177.683 -1.674 1
1 76 . 11 1 1 A 14 14 GLU N N 14 120.197 121.728 -1.531 1
1 77 . 11 1 1 A 14 14 GLU H H 14 8.568 8.775 -0.207 1
1 78 . 11 1 1 A 14 14 GLU CA C 14 59.932 59.556 0.376 1
1 79 . 11 1 1 A 14 14 GLU HA H 14 3.944 4.000 -0.056 1
1 80 . 11 1 1 A 14 14 GLU CB C 14 29.670 29.770 -0.100 1
1 86 . 11 1 1 A 14 14 GLU C C 14 178.863 178.980 -0.117 1
1 87 . 11 1 1 A 15 15 GLU N N 15 120.713 121.110 -0.397 1
1 88 . 11 1 1 A 15 15 GLU H H 15 8.312 8.275 0.037 1
1 89 . 11 1 1 A 15 15 GLU CA C 15 59.101 59.715 -0.614 1
1 90 . 11 1 1 A 15 15 GLU HA H 15 4.244 4.055 0.189 1
1 91 . 11 1 1 A 15 15 GLU CB C 15 28.917 29.468 -0.551 1
1 97 . 11 1 1 A 15 15 GLU C C 15 178.511 178.283 0.228 1
1 98 . 11 1 1 A 16 16 ALA N N 16 123.041 121.534 1.507 1
1 99 . 11 1 1 A 16 16 ALA H H 16 8.047 8.022 0.025 1
1 100 . 11 1 1 A 16 16 ALA CA C 16 54.830 55.163 -0.333 1
1 101 . 11 1 1 A 16 16 ALA HA H 16 4.093 4.075 0.018 1
1 102 . 11 1 1 A 16 16 ALA CB C 16 18.371 18.427 -0.056 1
1 106 . 11 1 1 A 16 16 ALA C C 16 181.428 180.152 1.276 1
1 107 . 11 1 1 A 17 17 LEU N N 17 119.436 117.973 1.463 1
1 108 . 11 1 1 A 17 17 LEU H H 17 8.042 7.761 0.281 1
1 109 . 11 1 1 A 17 17 LEU CA C 17 57.623 57.792 -0.169 1
1 110 . 11 1 1 A 17 17 LEU HA H 17 3.838 3.776 0.062 1
1 111 . 11 1 1 A 17 17 LEU CB C 17 41.323 41.722 -0.399 1
1 124 . 11 1 1 A 17 17 LEU C C 17 177.590 178.560 -0.970 1
1 125 . 11 1 1 A 18 18 HIS N N 18 118.394 118.064 0.330 1
1 126 . 11 1 1 A 18 18 HIS H H 18 8.182 8.286 -0.104 1
1 127 . 11 1 1 A 18 18 HIS CA C 18 59.415 60.170 -0.755 1
1 128 . 11 1 1 A 18 18 HIS HA H 18 4.435 4.296 0.139 1
1 129 . 11 1 1 A 18 18 HIS CB C 18 29.560 29.841 -0.281 1
1 136 . 11 1 1 A 18 18 HIS C C 18 178.114 176.700 1.414 1
1 137 . 11 1 1 A 19 19 GLN N N 19 115.623 116.960 -1.337 1
1 138 . 11 1 1 A 19 19 GLN H H 19 8.178 8.026 0.152 1
1 139 . 11 1 1 A 19 19 GLN CA C 19 58.406 59.106 -0.700 1
1 140 . 11 1 1 A 19 19 GLN HA H 19 3.904 3.761 0.143 1
1 141 . 11 1 1 A 19 19 GLN CB C 19 28.118 28.309 -0.191 1
1 150 . 11 1 1 A 19 19 GLN C C 19 179.132 178.354 0.778 1
1 151 . 11 1 1 A 20 20 LEU N N 20 122.817 121.291 1.526 1
1 152 . 11 1 1 A 20 20 LEU H H 20 7.949 7.891 0.058 1
1 153 . 11 1 1 A 20 20 LEU CA C 20 58.278 57.712 0.566 1
1 154 . 11 1 1 A 20 20 LEU HA H 20 4.233 4.041 0.192 1
1 155 . 11 1 1 A 20 20 LEU CB C 20 40.850 41.599 -0.749 1
1 168 . 11 1 1 A 20 20 LEU C C 20 178.466 178.275 0.191 1
1 169 . 11 1 1 A 21 21 TYR N N 21 118.825 118.972 -0.147 1
1 170 . 11 1 1 A 21 21 TYR H H 21 8.376 7.897 0.479 1
1 171 . 11 1 1 A 21 21 TYR CA C 21 60.605 60.844 -0.239 1
1 172 . 11 1 1 A 21 21 TYR HA H 21 4.286 4.336 -0.050 1
1 173 . 11 1 1 A 21 21 TYR CB C 21 36.667 38.272 -1.605 1
1 184 . 11 1 1 A 21 21 TYR C C 21 178.654 178.322 0.332 1
1 185 . 11 1 1 A 22 22 LEU N N 22 118.954 119.698 -0.744 1
1 186 . 11 1 1 A 22 22 LEU H H 22 7.869 8.933 -1.064 1
1 187 . 11 1 1 A 22 22 LEU CA C 22 57.887 57.777 0.110 1
1 188 . 11 1 1 A 22 22 LEU HA H 22 4.076 3.903 0.173 1
1 189 . 11 1 1 A 22 22 LEU CB C 22 42.250 41.535 0.715 1
1 202 . 11 1 1 A 22 22 LEU C C 22 178.877 178.986 -0.109 1
1 203 . 11 1 1 A 23 23 TRP N N 23 120.668 120.384 0.284 1
1 204 . 11 1 1 A 23 23 TRP H H 23 7.804 8.042 -0.238 1
1 205 . 11 1 1 A 23 23 TRP CA C 23 60.711 61.042 -0.331 1
1 206 . 11 1 1 A 23 23 TRP HA H 23 4.436 4.145 0.291 1
1 207 . 11 1 1 A 23 23 TRP CB C 23 28.035 29.893 -1.858 1
1 222 . 11 1 1 A 23 23 TRP C C 23 178.471 178.017 0.454 1
1 223 . 11 1 1 A 24 24 VAL N N 24 116.831 119.016 -2.185 1
1 224 . 11 1 1 A 24 24 VAL H H 24 8.503 7.533 0.970 1
1 225 . 11 1 1 A 24 24 VAL CA C 24 66.014 65.591 0.423 1
1 226 . 11 1 1 A 24 24 VAL HA H 24 3.084 3.157 -0.073 1
1 227 . 11 1 1 A 24 24 VAL CB C 24 31.826 31.622 0.204 1
1 237 . 11 1 1 A 24 24 VAL C C 24 178.212 177.406 0.806 1
1 238 . 11 1 1 A 25 25 ASP N N 25 117.894 120.181 -2.287 1
1 239 . 11 1 1 A 25 25 ASP H H 25 8.140 8.430 -0.290 1
1 240 . 11 1 1 A 25 25 ASP CA C 25 57.043 57.514 -0.471 1
1 241 . 11 1 1 A 25 25 ASP HA H 25 4.290 4.282 0.008 1
1 242 . 11 1 1 A 25 25 ASP CB C 25 41.067 40.729 0.338 1
1 245 . 11 1 1 A 25 25 ASP C C 25 177.163 177.827 -0.664 1
1 246 . 11 1 1 A 26 26 ASN N N 26 114.914 117.131 -2.217 1
1 247 . 11 1 1 A 26 26 ASN H H 26 7.229 7.997 -0.768 1
1 248 . 11 1 1 A 26 26 ASN CA C 26 53.375 56.656 -3.281 1
1 249 . 11 1 1 A 26 26 ASN HA H 26 4.607 4.420 0.187 1
1 250 . 11 1 1 A 26 26 ASN CB C 26 40.048 38.886 1.162 1
1 256 . 11 1 1 A 26 26 ASN C C 26 174.227 175.978 -1.751 1
1 257 . 11 1 1 A 27 27 ILE N N 27 123.268 119.762 3.506 1
1 258 . 11 1 1 A 27 27 ILE H H 27 7.212 7.714 -0.502 1
1 259 . 11 1 1 A 27 27 ILE CA C 27 58.327 59.786 -1.459 1
1 260 . 11 1 1 A 27 27 ILE HA H 27 3.628 4.122 -0.494 1
1 261 . 11 1 1 A 27 27 ILE CB C 27 39.403 38.159 1.244 1
1 274 . 11 1 1 A 27 27 ILE C C 27 173.764 174.482 -0.718 1
1 275 . 11 1 1 A 28 28 PRO CA C 28 62.584 62.774 -0.190 1
1 276 . 11 1 1 A 28 28 PRO HA H 28 4.354 4.652 -0.298 1
1 277 . 11 1 1 A 28 28 PRO CB C 28 30.056 32.051 -1.995 1
1 286 . 11 1 1 A 28 28 PRO C C 28 175.419 176.604 -1.185 1
1 287 . 11 1 1 A 29 29 LEU N N 29 125.355 124.669 0.686 1
1 288 . 11 1 1 A 29 29 LEU H H 29 8.118 8.654 -0.536 1
1 289 . 11 1 1 A 29 29 LEU CA C 29 53.358 53.844 -0.486 1
1 290 . 11 1 1 A 29 29 LEU HA H 29 4.748 4.679 0.069 1
1 291 . 11 1 1 A 29 29 LEU CB C 29 45.279 42.222 3.057 1
1 304 . 11 1 1 A 29 29 LEU C C 29 178.577 176.031 2.546 1
1 305 . 11 1 1 A 31 31 ARG CA C 31 53.250 53.332 -0.082 1
1 306 . 11 1 1 A 31 31 ARG HA H 31 4.787 4.782 0.005 1
1 307 . 11 1 1 A 31 31 ARG CB C 31 32.107 33.217 -1.110 1
1 316 . 11 1 1 A 32 32 PRO CA C 32 62.865 62.224 0.641 1
1 317 . 11 1 1 A 32 32 PRO HA H 32 4.300 4.638 -0.338 1
1 318 . 11 1 1 A 32 32 PRO CB C 32 32.193 33.339 -1.146 1
1 327 . 11 1 1 A 33 33 LYS CA C 33 56.154 59.066 -2.912 1
1 328 . 11 1 1 A 33 33 LYS HA H 33 4.361 4.300 0.061 1
1 329 . 11 1 1 A 33 33 LYS CB C 33 32.368 32.553 -0.185 1
1 341 . 11 1 1 A 34 34 ARG N N 34 122.768 119.940 2.828 1
1 342 . 11 1 1 A 34 34 ARG H H 34 8.410 7.830 0.580 1
1 343 . 11 1 1 A 34 34 ARG HA H 34 4.336 4.056 0.280 1
1 344 . 11 1 1 A 34 34 ARG CB C 34 31.894 30.298 1.596 1
1 349 . 11 1 1 A 35 35 ASN CA C 35 53.153 53.852 -0.699 1
1 350 . 11 1 1 A 35 35 ASN HA H 35 4.771 4.455 0.316 1
1 351 . 11 1 1 A 35 35 ASN CB C 35 39.425 37.054 2.371 1
1 357 . 11 1 1 A 36 36 LEU N N 36 110.943 118.921 -7.978 1
1 358 . 11 1 1 A 36 36 LEU H H 36 8.305 7.883 0.422 1
1 359 . 11 1 1 A 36 36 LEU CA C 36 60.191 56.513 3.678 1
1 360 . 11 1 1 A 36 36 LEU HA H 36 4.140 4.283 -0.143 1
1 361 . 11 1 1 A 36 36 LEU CB C 36 41.876 41.631 0.245 1
1 374 . 11 1 1 A 37 37 SER CA C 37 61.673 61.736 -0.063 1
1 375 . 11 1 1 A 37 37 SER HA H 37 4.080 4.142 -0.062 1
1 376 . 11 1 1 A 37 37 SER CB C 37 62.700 62.935 -0.235 1
1 379 . 11 1 1 A 38 38 ARG N N 38 119.288 121.265 -1.977 1
1 380 . 11 1 1 A 38 38 ARG H H 38 7.773 8.176 -0.403 1
1 381 . 11 1 1 A 38 38 ARG HA H 38 4.587 4.127 0.460 1
1 384 . 11 1 1 A 39 39 ASP N N 39 121.607 119.704 1.903 1
1 385 . 11 1 1 A 39 39 ASP H H 39 9.487 8.199 1.288 1
1 386 . 11 1 1 A 39 39 ASP CA C 39 58.026 57.092 0.934 1
1 387 . 11 1 1 A 39 39 ASP HA H 39 4.518 4.386 0.132 1
1 388 . 11 1 1 A 39 39 ASP CB C 39 40.039 41.028 -0.989 1
1 391 . 11 1 1 A 40 40 PHE N N 40 115.310 117.930 -2.620 1
1 392 . 11 1 1 A 40 40 PHE H H 40 8.300 8.613 -0.313 1
1 393 . 11 1 1 A 40 40 PHE CA C 40 59.420 60.999 -1.579 1
1 394 . 11 1 1 A 40 40 PHE HA H 40 4.605 4.282 0.323 1
1 395 . 11 1 1 A 40 40 PHE CB C 40 39.030 38.960 0.070 1
1 408 . 11 1 1 A 41 41 SER N N 41 115.417 115.070 0.347 1
1 409 . 11 1 1 A 41 41 SER H H 41 7.441 8.835 -1.394 1
1 410 . 11 1 1 A 41 41 SER CA C 41 62.290 61.490 0.800 1
1 411 . 11 1 1 A 41 41 SER HA H 41 4.341 4.280 0.061 1
1 412 . 11 1 1 A 41 41 SER CB C 41 64.510 63.068 1.442 1
1 415 . 11 1 1 A 42 42 ASP N N 42 117.563 116.676 0.887 1
1 416 . 11 1 1 A 42 42 ASP H H 42 8.726 7.888 0.838 1
1 417 . 11 1 1 A 42 42 ASP CA C 42 53.746 53.149 0.597 1
1 418 . 11 1 1 A 42 42 ASP HA H 42 4.780 4.902 -0.122 1
1 419 . 11 1 1 A 42 42 ASP CB C 42 42.695 40.501 2.194 1
1 422 . 11 1 1 A 42 42 ASP C C 42 176.013 176.776 -0.763 1
1 423 . 11 1 1 A 43 43 GLY N N 43 106.643 110.633 -3.990 1
1 424 . 11 1 1 A 43 43 GLY H H 43 7.388 8.967 -1.579 1
1 425 . 11 1 1 A 43 43 GLY CA C 43 45.230 47.181 -1.951 1
1 426 . 11 1 1 A 43 43 GLY HA2 H 43 3.131 3.029 0.102 1
1 427 . 11 1 1 A 43 43 GLY HA3 H 43 2.588 3.421 -0.833 1
1 428 . 11 1 1 A 43 43 GLY C C 43 173.476 175.489 -2.013 1
1 429 . 11 1 1 A 44 44 VAL N N 44 121.300 121.886 -0.586 1
1 430 . 11 1 1 A 44 44 VAL H H 44 7.874 8.038 -0.164 1
1 431 . 11 1 1 A 44 44 VAL CA C 44 67.198 66.116 1.082 1
1 432 . 11 1 1 A 44 44 VAL HA H 44 3.018 3.519 -0.501 1
1 433 . 11 1 1 A 44 44 VAL CB C 44 31.139 31.557 -0.418 1
1 443 . 11 1 1 A 44 44 VAL C C 44 177.853 177.994 -0.141 1
1 444 . 11 1 1 A 45 45 LEU N N 45 114.495 120.423 -5.928 1
1 445 . 11 1 1 A 45 45 LEU H H 45 8.945 8.175 0.770 1
1 446 . 11 1 1 A 45 45 LEU CA C 45 57.466 58.086 -0.620 1
1 447 . 11 1 1 A 45 45 LEU HA H 45 3.838 3.858 -0.020 1
1 448 . 11 1 1 A 45 45 LEU CB C 45 40.503 41.345 -0.842 1
1 461 . 11 1 1 A 45 45 LEU C C 45 179.257 178.612 0.645 1
1 462 . 11 1 1 A 46 46 VAL N N 46 118.354 119.099 -0.745 1
1 463 . 11 1 1 A 46 46 VAL H H 46 7.422 7.645 -0.223 1
1 464 . 11 1 1 A 46 46 VAL CA C 46 67.288 66.589 0.699 1
1 465 . 11 1 1 A 46 46 VAL HA H 46 3.469 3.216 0.253 1
1 466 . 11 1 1 A 46 46 VAL CB C 46 30.173 31.312 -1.139 1
1 476 . 11 1 1 A 46 46 VAL C C 46 176.954 177.769 -0.815 1
1 477 . 11 1 1 A 47 47 ALA N N 47 121.963 121.334 0.629 1
1 478 . 11 1 1 A 47 47 ALA H H 47 7.272 8.010 -0.738 1
1 479 . 11 1 1 A 47 47 ALA CA C 47 55.991 55.642 0.349 1
1 480 . 11 1 1 A 47 47 ALA HA H 47 3.576 3.813 -0.237 1
1 481 . 11 1 1 A 47 47 ALA CB C 47 17.292 18.296 -1.004 1
1 485 . 11 1 1 A 47 47 ALA C C 47 178.880 180.155 -1.275 1
1 486 . 11 1 1 A 48 48 GLU N N 48 116.763 118.028 -1.265 1
1 487 . 11 1 1 A 48 48 GLU H H 48 8.081 7.726 0.355 1
1 488 . 11 1 1 A 48 48 GLU CA C 48 60.605 59.490 1.115 1
1 489 . 11 1 1 A 48 48 GLU HA H 48 3.851 3.949 -0.098 1
1 490 . 11 1 1 A 48 48 GLU CB C 48 30.467 29.196 1.271 1
1 496 . 11 1 1 A 48 48 GLU C C 48 180.175 179.376 0.799 1
1 497 . 11 1 1 A 49 49 VAL N N 49 122.024 120.141 1.883 1
1 498 . 11 1 1 A 49 49 VAL H H 49 8.325 7.567 0.758 1
1 499 . 11 1 1 A 49 49 VAL CA C 49 67.146 66.469 0.677 1
1 500 . 11 1 1 A 49 49 VAL HA H 49 3.530 3.580 -0.050 1
1 501 . 11 1 1 A 49 49 VAL CB C 49 31.543 31.553 -0.010 1
1 511 . 11 1 1 A 49 49 VAL C C 49 177.168 178.189 -1.021 1
1 512 . 11 1 1 A 50 50 ILE N N 50 117.821 119.625 -1.804 1
1 513 . 11 1 1 A 50 50 ILE H H 50 7.947 7.669 0.278 1
1 514 . 11 1 1 A 50 50 ILE CA C 50 66.217 65.953 0.264 1
1 515 . 11 1 1 A 50 50 ILE HA H 50 3.757 3.693 0.064 1
1 516 . 11 1 1 A 50 50 ILE CB C 50 37.952 37.807 0.145 1
1 529 . 11 1 1 A 50 50 ILE C C 50 177.890 177.863 0.027 1
1 530 . 11 1 1 A 51 51 LYS N N 51 121.589 120.870 0.719 1
1 531 . 11 1 1 A 51 51 LYS H H 51 8.790 8.132 0.658 1
1 532 . 11 1 1 A 51 51 LYS CA C 51 58.277 59.648 -1.371 1
1 533 . 11 1 1 A 51 51 LYS HA H 51 3.816 4.235 -0.419 1
1 534 . 11 1 1 A 51 51 LYS CB C 51 32.898 32.558 0.340 1
1 546 . 11 1 1 A 51 51 LYS C C 51 176.668 178.766 -2.098 1
1 547 . 11 1 1 A 52 52 PHE N N 52 117.622 120.222 -2.600 1
1 548 . 11 1 1 A 52 52 PHE H H 52 7.768 8.007 -0.239 1
1 549 . 11 1 1 A 52 52 PHE CA C 52 60.585 61.335 -0.750 1
1 550 . 11 1 1 A 52 52 PHE HA H 52 4.090 4.006 0.084 1
1 551 . 11 1 1 A 52 52 PHE CB C 52 38.775 39.217 -0.442 1
1 564 . 11 1 1 A 52 52 PHE C C 52 176.831 176.876 -0.045 1
1 565 . 11 1 1 A 53 53 TYR N N 53 115.876 116.181 -0.305 1
1 566 . 11 1 1 A 53 53 TYR H H 53 7.346 8.189 -0.843 1
1 567 . 11 1 1 A 53 53 TYR CA C 53 61.264 59.942 1.322 1
1 568 . 11 1 1 A 53 53 TYR HA H 53 3.697 4.274 -0.577 1
1 569 . 11 1 1 A 53 53 TYR CB C 53 41.522 38.971 2.551 1
1 580 . 11 1 1 A 53 53 TYR C C 53 175.972 175.396 0.576 1
1 581 . 11 1 1 A 54 54 PHE N N 54 116.478 116.090 0.388 1
1 582 . 11 1 1 A 54 54 PHE H H 54 8.877 8.493 0.384 1
1 583 . 11 1 1 A 54 54 PHE CA C 54 55.553 55.094 0.459 1
1 584 . 11 1 1 A 54 54 PHE HA H 54 5.173 5.072 0.101 1
1 585 . 11 1 1 A 54 54 PHE CB C 54 40.841 40.740 0.101 1
1 598 . 11 1 1 A 54 54 PHE C C 54 173.424 174.477 -1.053 1
1 599 . 11 1 1 A 55 55 PRO CA C 55 65.147 64.867 0.280 1
1 600 . 11 1 1 A 55 55 PRO HA H 55 4.591 4.399 0.192 1
1 601 . 11 1 1 A 55 55 PRO CB C 55 32.014 32.173 -0.159 1
1 610 . 11 1 1 A 55 55 PRO C C 55 179.255 178.905 0.350 1
1 611 . 11 1 1 A 56 56 LYS N N 56 113.672 118.526 -4.854 1
1 612 . 11 1 1 A 56 56 LYS H H 56 8.639 8.294 0.345 1
1 613 . 11 1 1 A 56 56 LYS CA C 56 56.918 59.608 -2.690 1
1 614 . 11 1 1 A 56 56 LYS HA H 56 4.384 4.066 0.318 1
1 615 . 11 1 1 A 56 56 LYS CB C 56 31.868 32.366 -0.498 1
1 627 . 11 1 1 A 56 56 LYS C C 56 178.220 179.641 -1.421 1
1 628 . 11 1 1 A 57 57 MET N N 57 116.692 119.229 -2.537 1
1 629 . 11 1 1 A 57 57 MET H H 57 8.099 8.216 -0.117 1
1 630 . 11 1 1 A 57 57 MET CA C 57 57.537 58.489 -0.952 1
1 631 . 11 1 1 A 57 57 MET HA H 57 4.260 4.147 0.113 1
1 632 . 11 1 1 A 57 57 MET CB C 57 35.400 32.019 3.381 1
1 642 . 11 1 1 A 57 57 MET C C 57 174.856 177.286 -2.430 1
1 643 . 11 1 1 A 58 58 VAL N N 58 114.727 119.373 -4.646 1
1 644 . 11 1 1 A 58 58 VAL H H 58 6.872 7.695 -0.823 1
1 645 . 11 1 1 A 58 58 VAL CA C 58 60.834 63.136 -2.302 1
1 646 . 11 1 1 A 58 58 VAL HA H 58 4.421 4.027 0.394 1
1 647 . 11 1 1 A 58 58 VAL CB C 58 36.223 31.924 4.299 1
1 657 . 11 1 1 A 58 58 VAL C C 58 173.747 175.548 -1.801 1
1 658 . 11 1 1 A 59 59 GLU N N 59 127.314 128.874 -1.560 1
1 659 . 11 1 1 A 59 59 GLU H H 59 8.783 8.778 0.005 1
1 660 . 11 1 1 A 59 59 GLU CA C 59 54.465 55.086 -0.621 1
1 661 . 11 1 1 A 59 59 GLU HA H 59 4.671 4.746 -0.075 1
1 662 . 11 1 1 A 59 59 GLU CB C 59 30.020 30.488 -0.468 1
1 668 . 11 1 1 A 59 59 GLU C C 59 176.450 176.851 -0.401 1
1 669 . 11 1 1 A 60 60 MET N N 60 122.273 122.396 -0.123 1
1 670 . 11 1 1 A 60 60 MET H H 60 9.004 7.701 1.303 1
1 671 . 11 1 1 A 60 60 MET CA C 60 55.751 58.803 -3.052 1
1 672 . 11 1 1 A 60 60 MET HA H 60 4.613 4.272 0.341 1
1 673 . 11 1 1 A 60 60 MET CB C 60 29.356 32.271 -2.915 1
1 683 . 11 1 1 A 60 60 MET C C 60 178.387 178.317 0.070 1
1 684 . 11 1 1 A 61 61 HIS N N 61 115.823 119.719 -3.896 1
1 685 . 11 1 1 A 61 61 HIS H H 61 8.198 8.524 -0.326 1
1 686 . 11 1 1 A 61 61 HIS CA C 61 57.963 59.738 -1.775 1
1 687 . 11 1 1 A 61 61 HIS HA H 61 4.341 4.023 0.318 1
1 688 . 11 1 1 A 61 61 HIS CB C 61 29.235 30.178 -0.943 1
1 695 . 11 1 1 A 61 61 HIS C C 61 175.800 176.989 -1.189 1
1 696 . 11 1 1 A 62 62 ASN N N 62 115.093 116.665 -1.572 1
1 697 . 11 1 1 A 62 62 ASN H H 62 6.895 7.729 -0.834 1
1 698 . 11 1 1 A 62 62 ASN CA C 62 54.503 55.265 -0.762 1
1 699 . 11 1 1 A 62 62 ASN HA H 62 3.872 4.483 -0.611 1
1 700 . 11 1 1 A 62 62 ASN CB C 62 38.749 38.644 0.105 1
1 706 . 11 1 1 A 62 62 ASN C C 62 173.014 175.934 -2.920 1
1 707 . 11 1 1 A 63 63 TYR N N 63 118.560 118.143 0.417 1
1 708 . 11 1 1 A 63 63 TYR H H 63 7.255 7.183 0.072 1
1 709 . 11 1 1 A 63 63 TYR CA C 63 56.311 58.836 -2.525 1
1 710 . 11 1 1 A 63 63 TYR HA H 63 4.481 4.607 -0.126 1
1 711 . 11 1 1 A 63 63 TYR CB C 63 39.138 39.201 -0.063 1
1 722 . 11 1 1 A 63 63 TYR C C 63 173.223 175.826 -2.603 1
1 723 . 11 1 1 A 64 64 VAL N N 64 122.318 121.008 1.310 1
1 724 . 11 1 1 A 64 64 VAL H H 64 7.750 8.627 -0.877 1
1 725 . 11 1 1 A 64 64 VAL CA C 64 58.601 59.029 -0.428 1
1 726 . 11 1 1 A 64 64 VAL HA H 64 4.469 4.732 -0.263 1
1 727 . 11 1 1 A 64 64 VAL CB C 64 33.747 35.812 -2.065 1
1 737 . 11 1 1 A 64 64 VAL C C 64 173.983 173.622 0.361 1
1 738 . 11 1 1 A 65 65 PRO CA C 65 63.212 62.247 0.965 1
1 739 . 11 1 1 A 65 65 PRO HA H 65 4.348 4.773 -0.425 1
1 740 . 11 1 1 A 65 65 PRO CB C 65 31.279 31.700 -0.421 1
1 749 . 11 1 1 A 65 65 PRO C C 65 176.821 176.510 0.311 1
1 750 . 11 1 1 A 66 66 ALA N N 66 125.896 125.574 0.322 1
1 751 . 11 1 1 A 66 66 ALA H H 66 8.563 8.443 0.120 1
1 752 . 11 1 1 A 66 66 ALA CA C 66 52.003 51.248 0.755 1
1 753 . 11 1 1 A 66 66 ALA HA H 66 4.651 4.666 -0.015 1
1 754 . 11 1 1 A 66 66 ALA CB C 66 24.137 21.401 2.736 1
1 758 . 11 1 1 A 66 66 ALA C C 66 176.244 176.792 -0.548 1
1 759 . 11 1 1 A 67 67 ASN CA C 67 52.862 54.408 -1.546 1
1 760 . 11 1 1 A 67 67 ASN HA H 67 4.988 4.960 0.028 1
1 761 . 11 1 1 A 67 67 ASN CB C 67 40.168 40.746 -0.578 1
1 767 . 11 1 1 A 67 67 ASN C C 67 174.896 175.304 -0.408 1
1 768 . 11 1 1 A 68 68 SER N N 68 114.553 114.059 0.494 1
1 769 . 11 1 1 A 68 68 SER H H 68 7.777 7.721 0.056 1
1 770 . 11 1 1 A 68 68 SER CA C 68 56.741 57.600 -0.859 1
1 771 . 11 1 1 A 68 68 SER HA H 68 4.737 4.442 0.295 1
1 772 . 11 1 1 A 68 68 SER CB C 68 65.267 63.719 1.548 1
1 775 . 11 1 1 A 68 68 SER C C 68 174.542 174.754 -0.212 1
1 776 . 11 1 1 A 69 69 LEU CA C 69 59.000 58.687 0.313 1
1 777 . 11 1 1 A 69 69 LEU HA H 69 3.961 3.995 -0.034 1
1 778 . 11 1 1 A 69 69 LEU CB C 69 41.679 41.920 -0.241 1
1 791 . 11 1 1 A 69 69 LEU C C 69 178.629 178.471 0.158 1
1 792 . 11 1 1 A 70 70 GLN N N 70 115.924 118.239 -2.315 1
1 793 . 11 1 1 A 70 70 GLN H H 70 8.785 8.239 0.546 1
1 794 . 11 1 1 A 70 70 GLN CA C 70 59.728 59.413 0.315 1
1 795 . 11 1 1 A 70 70 GLN HA H 70 3.977 3.933 0.044 1
1 796 . 11 1 1 A 70 70 GLN CB C 70 27.912 28.347 -0.435 1
1 805 . 11 1 1 A 70 70 GLN C C 70 178.954 178.517 0.437 1
1 806 . 11 1 1 A 71 71 GLN N N 71 118.694 119.900 -1.206 1
1 807 . 11 1 1 A 71 71 GLN H H 71 7.780 7.777 0.003 1
1 808 . 11 1 1 A 71 71 GLN CA C 71 58.233 59.075 -0.842 1
1 809 . 11 1 1 A 71 71 GLN HA H 71 4.219 4.056 0.163 1
1 810 . 11 1 1 A 71 71 GLN CB C 71 29.089 28.476 0.613 1
1 819 . 11 1 1 A 71 71 GLN C C 71 178.724 177.895 0.829 1
1 820 . 11 1 1 A 72 72 LYS N N 72 119.661 118.413 1.248 1
1 821 . 11 1 1 A 72 72 LYS H H 72 8.094 7.858 0.236 1
1 822 . 11 1 1 A 72 72 LYS CA C 72 61.528 59.662 1.866 1
1 823 . 11 1 1 A 72 72 LYS HA H 72 4.206 4.026 0.180 1
1 824 . 11 1 1 A 72 72 LYS CB C 72 33.806 32.504 1.302 1
1 836 . 11 1 1 A 72 72 LYS C C 72 179.041 179.059 -0.018 1
1 837 . 11 1 1 A 73 73 LEU N N 73 117.098 120.889 -3.791 1
1 838 . 11 1 1 A 73 73 LEU H H 73 8.602 7.757 0.845 1
1 839 . 11 1 1 A 73 73 LEU CA C 73 58.118 57.898 0.220 1
1 840 . 11 1 1 A 73 73 LEU HA H 73 4.287 4.131 0.156 1
1 841 . 11 1 1 A 73 73 LEU CB C 73 40.831 41.683 -0.852 1
1 854 . 11 1 1 A 73 73 LEU C C 73 180.838 179.056 1.782 1
1 855 . 11 1 1 A 74 74 SER N N 74 118.060 113.443 4.617 1
1 856 . 11 1 1 A 74 74 SER H H 74 8.334 8.041 0.293 1
1 857 . 11 1 1 A 74 74 SER CA C 74 61.971 61.696 0.275 1
1 858 . 11 1 1 A 74 74 SER HA H 74 4.431 4.023 0.408 1
1 859 . 11 1 1 A 74 74 SER CB C 74 62.560 63.064 -0.504 1
1 862 . 11 1 1 A 74 74 SER C C 74 177.493 177.181 0.312 1
1 863 . 11 1 1 A 75 75 ASN N N 75 121.688 119.012 2.676 1
1 864 . 11 1 1 A 75 75 ASN H H 75 8.266 7.918 0.348 1
1 865 . 11 1 1 A 75 75 ASN CA C 75 56.090 56.602 -0.512 1
1 866 . 11 1 1 A 75 75 ASN HA H 75 4.739 4.719 0.020 1
1 867 . 11 1 1 A 75 75 ASN CB C 75 38.184 38.307 -0.123 1
1 873 . 11 1 1 A 75 75 ASN C C 75 177.792 178.108 -0.316 1
1 874 . 11 1 1 A 76 76 TRP N N 76 118.943 120.015 -1.072 1
1 875 . 11 1 1 A 76 76 TRP H H 76 8.510 8.166 0.344 1
1 876 . 11 1 1 A 76 76 TRP CA C 76 62.294 59.486 2.808 1
1 877 . 11 1 1 A 76 76 TRP HA H 76 4.173 4.198 -0.025 1
1 878 . 11 1 1 A 76 76 TRP CB C 76 29.223 29.141 0.082 1
1 893 . 11 1 1 A 76 76 TRP C C 76 178.579 179.114 -0.535 1
1 894 . 11 1 1 A 77 77 GLY N N 77 107.789 107.776 0.013 1
1 895 . 11 1 1 A 77 77 GLY H H 77 8.954 8.815 0.139 1
1 896 . 11 1 1 A 77 77 GLY CA C 77 47.600 47.306 0.294 1
1 897 . 11 1 1 A 77 77 GLY HA2 H 77 4.122 3.659 0.463 1
1 898 . 11 1 1 A 77 77 GLY HA3 H 77 3.977 3.759 0.218 1
1 899 . 11 1 1 A 77 77 GLY C C 77 176.076 176.166 -0.090 1
1 900 . 11 1 1 A 78 78 HIS N N 78 122.925 120.175 2.750 1
1 901 . 11 1 1 A 78 78 HIS H H 78 8.127 7.460 0.667 1
1 902 . 11 1 1 A 78 78 HIS CA C 78 61.550 58.473 3.077 1
1 903 . 11 1 1 A 78 78 HIS HA H 78 4.206 4.664 -0.458 1
1 904 . 11 1 1 A 78 78 HIS CB C 78 30.794 30.177 0.617 1
1 911 . 11 1 1 A 78 78 HIS C C 78 177.572 178.087 -0.515 1
1 912 . 11 1 1 A 79 79 LEU N N 79 120.009 121.271 -1.262 1
1 913 . 11 1 1 A 79 79 LEU H H 79 8.726 8.215 0.511 1
1 914 . 11 1 1 A 79 79 LEU CA C 79 58.252 57.872 0.380 1
1 915 . 11 1 1 A 79 79 LEU HA H 79 4.227 4.224 0.003 1
1 916 . 11 1 1 A 79 79 LEU CB C 79 43.075 41.778 1.297 1
1 929 . 11 1 1 A 79 79 LEU C C 79 181.067 178.925 2.142 1
1 930 . 11 1 1 A 80 80 ASN N N 80 119.257 117.319 1.938 1
1 931 . 11 1 1 A 80 80 ASN H H 80 9.270 8.431 0.839 1
1 932 . 11 1 1 A 80 80 ASN CA C 80 57.279 56.428 0.851 1
1 933 . 11 1 1 A 80 80 ASN HA H 80 4.595 4.548 0.047 1
1 934 . 11 1 1 A 80 80 ASN CB C 80 40.403 38.688 1.715 1
1 940 . 11 1 1 A 80 80 ASN C C 80 177.177 176.753 0.424 1
1 941 . 11 1 1 A 81 81 ARG N N 81 115.731 117.183 -1.452 1
1 942 . 11 1 1 A 81 81 ARG H H 81 8.085 8.128 -0.043 1
1 943 . 11 1 1 A 81 81 ARG CA C 81 59.249 55.909 3.340 1
1 944 . 11 1 1 A 81 81 ARG HA H 81 4.167 4.643 -0.476 1
1 945 . 11 1 1 A 81 81 ARG CB C 81 31.579 31.034 0.545 1
1 954 . 11 1 1 A 81 81 ARG C C 81 177.890 176.729 1.161 1
1 955 . 11 1 1 A 82 82 LYS N N 82 113.840 117.922 -4.082 1
1 956 . 11 1 1 A 82 82 LYS H H 82 8.691 8.251 0.440 1
1 957 . 11 1 1 A 82 82 LYS CA C 82 56.216 56.931 -0.715 1
1 958 . 11 1 1 A 82 82 LYS HA H 82 4.441 4.456 -0.015 1
1 959 . 11 1 1 A 82 82 LYS CB C 82 32.964 33.878 -0.914 1
1 971 . 11 1 1 A 82 82 LYS C C 82 177.543 177.121 0.422 1
1 972 . 11 1 1 A 83 83 VAL N N 83 117.873 116.715 1.158 1
1 973 . 11 1 1 A 83 83 VAL H H 83 7.786 8.084 -0.298 1
1 974 . 11 1 1 A 83 83 VAL CA C 83 64.939 63.635 1.304 1
1 975 . 11 1 1 A 83 83 VAL HA H 83 4.235 4.251 -0.016 1
1 976 . 11 1 1 A 83 83 VAL CB C 83 34.046 32.918 1.128 1
1 986 . 11 1 1 A 83 83 VAL C C 83 176.945 177.644 -0.699 1
1 987 . 11 1 1 A 84 84 LEU N N 84 118.163 120.033 -1.870 1
1 988 . 11 1 1 A 84 84 LEU H H 84 9.200 8.315 0.885 1
1 989 . 11 1 1 A 84 84 LEU CA C 84 58.824 58.281 0.543 1
1 990 . 11 1 1 A 84 84 LEU HA H 84 3.898 3.952 -0.054 1
1 991 . 11 1 1 A 84 84 LEU CB C 84 38.418 41.790 -3.372 1
1 1004 . 11 1 1 A 84 84 LEU C C 84 179.874 178.823 1.051 1
1 1005 . 11 1 1 A 85 85 LYS N N 85 117.114 119.025 -1.911 1
1 1006 . 11 1 1 A 85 85 LYS H H 85 7.303 7.960 -0.657 1
1 1007 . 11 1 1 A 85 85 LYS CA C 85 59.436 59.704 -0.268 1
1 1008 . 11 1 1 A 85 85 LYS HA H 85 4.191 3.988 0.203 1
1 1009 . 11 1 1 A 85 85 LYS CB C 85 33.096 32.460 0.636 1
1 1021 . 11 1 1 A 85 85 LYS C C 85 180.286 178.907 1.379 1
1 1022 . 11 1 1 A 86 86 ARG N N 86 117.181 119.693 -2.512 1
1 1023 . 11 1 1 A 86 86 ARG H H 86 7.216 8.117 -0.901 1
1 1024 . 11 1 1 A 86 86 ARG CA C 86 57.924 58.978 -1.054 1
1 1025 . 11 1 1 A 86 86 ARG HA H 86 4.191 4.096 0.095 1
1 1026 . 11 1 1 A 86 86 ARG CB C 86 29.848 30.137 -0.289 1
1 1035 . 11 1 1 A 86 86 ARG C C 86 177.047 178.060 -1.013 1
1 1036 . 11 1 1 A 87 87 LEU N N 87 118.282 117.962 0.320 1
1 1037 . 11 1 1 A 87 87 LEU H H 87 7.584 8.068 -0.484 1
1 1038 . 11 1 1 A 87 87 LEU CA C 87 53.603 54.551 -0.948 1
1 1039 . 11 1 1 A 87 87 LEU HA H 87 4.339 4.397 -0.058 1
1 1040 . 11 1 1 A 87 87 LEU CB C 87 42.059 41.905 0.154 1
1 1053 . 11 1 1 A 87 87 LEU C C 87 175.182 175.756 -0.574 1
1 1054 . 11 1 1 A 88 88 ASN N N 88 115.016 114.530 0.486 1
1 1055 . 11 1 1 A 88 88 ASN H H 88 7.932 7.901 0.031 1
1 1056 . 11 1 1 A 88 88 ASN CA C 88 54.081 54.292 -0.211 1
1 1057 . 11 1 1 A 88 88 ASN HA H 88 4.384 4.390 -0.006 1
1 1058 . 11 1 1 A 88 88 ASN CB C 88 36.809 37.032 -0.223 1
1 1064 . 11 1 1 A 88 88 ASN C C 88 173.426 173.605 -0.179 1
1 1065 . 11 1 1 A 89 89 PHE N N 89 119.795 118.978 0.817 1
1 1066 . 11 1 1 A 89 89 PHE H H 89 7.739 8.093 -0.354 1
1 1067 . 11 1 1 A 89 89 PHE CA C 89 56.231 57.098 -0.867 1
1 1068 . 11 1 1 A 89 89 PHE HA H 89 4.887 4.938 -0.051 1
1 1069 . 11 1 1 A 89 89 PHE CB C 89 43.188 41.922 1.266 1
1 1082 . 11 1 1 A 89 89 PHE C C 89 172.386 174.291 -1.905 1
1 1083 . 11 1 1 A 90 90 SER N N 90 117.020 121.284 -4.264 1
1 1084 . 11 1 1 A 90 90 SER H H 90 7.301 8.565 -1.264 1
1 1085 . 11 1 1 A 90 90 SER CA C 90 56.762 56.009 0.753 1
1 1086 . 11 1 1 A 90 90 SER HA H 90 4.667 5.418 -0.751 1
1 1087 . 11 1 1 A 90 90 SER CB C 90 64.885 66.556 -1.671 1
1 1090 . 11 1 1 A 90 90 SER C C 90 172.726 173.885 -1.159 1
1 1091 . 11 1 1 A 91 91 VAL N N 91 126.604 122.652 3.952 1
1 1092 . 11 1 1 A 91 91 VAL H H 91 8.959 8.862 0.097 1
1 1093 . 11 1 1 A 91 91 VAL CA C 91 59.173 59.159 0.014 1
1 1094 . 11 1 1 A 91 91 VAL HA H 91 4.336 4.668 -0.332 1
1 1095 . 11 1 1 A 91 91 VAL CB C 91 33.703 35.678 -1.975 1
1 1105 . 11 1 1 A 91 91 VAL C C 91 173.886 173.837 0.049 1
1 1106 . 11 1 1 A 92 92 PRO CA C 92 62.618 62.677 -0.059 1
1 1107 . 11 1 1 A 92 92 PRO HA H 92 4.481 4.738 -0.257 1
1 1108 . 11 1 1 A 92 92 PRO CB C 92 33.302 32.213 1.089 1
1 1117 . 11 1 1 A 92 92 PRO C C 92 177.410 177.563 -0.153 1
1 1118 . 11 1 1 A 93 93 ASP N N 93 123.319 123.106 0.213 1
1 1119 . 11 1 1 A 93 93 ASP H H 93 8.854 8.764 0.090 1
1 1120 . 11 1 1 A 93 93 ASP CA C 93 58.347 57.580 0.767 1
1 1121 . 11 1 1 A 93 93 ASP HA H 93 4.298 4.264 0.034 1
1 1122 . 11 1 1 A 93 93 ASP CB C 93 40.916 40.365 0.551 1
1 1125 . 11 1 1 A 93 93 ASP C C 93 178.221 177.943 0.278 1
1 1126 . 11 1 1 A 94 94 ASP N N 94 116.740 118.895 -2.155 1
1 1127 . 11 1 1 A 94 94 ASP H H 94 8.955 8.251 0.704 1
1 1128 . 11 1 1 A 94 94 ASP CA C 94 56.851 57.591 -0.740 1
1 1129 . 11 1 1 A 94 94 ASP HA H 94 4.222 4.257 -0.035 1
1 1130 . 11 1 1 A 94 94 ASP CB C 94 39.733 41.755 -2.022 1
1 1133 . 11 1 1 A 94 94 ASP C C 94 178.344 178.595 -0.251 1
1 1134 . 11 1 1 A 95 95 VAL N N 95 121.559 118.889 2.670 1
1 1135 . 11 1 1 A 95 95 VAL H H 95 6.935 8.039 -1.104 1
1 1136 . 11 1 1 A 95 95 VAL CA C 95 66.007 66.293 -0.286 1
1 1137 . 11 1 1 A 95 95 VAL HA H 95 3.378 3.556 -0.178 1
1 1138 . 11 1 1 A 95 95 VAL CB C 95 31.712 31.237 0.475 1
1 1148 . 11 1 1 A 95 95 VAL C C 95 177.153 177.711 -0.558 1
1 1149 . 11 1 1 A 96 96 MET N N 96 118.492 117.631 0.861 1
1 1150 . 11 1 1 A 96 96 MET H H 96 7.993 7.789 0.204 1
1 1151 . 11 1 1 A 96 96 MET CA C 96 60.318 58.482 1.836 1
1 1152 . 11 1 1 A 96 96 MET HA H 96 3.037 3.803 -0.766 1
1 1153 . 11 1 1 A 96 96 MET CB C 96 33.348 32.791 0.557 1
1 1163 . 11 1 1 A 96 96 MET C C 96 176.993 178.791 -1.798 1
1 1164 . 11 1 1 A 97 97 ARG N N 97 116.593 118.892 -2.299 1
1 1165 . 11 1 1 A 97 97 ARG H H 97 7.668 8.207 -0.539 1
1 1166 . 11 1 1 A 97 97 ARG CA C 97 60.372 59.768 0.604 1
1 1167 . 11 1 1 A 97 97 ARG HA H 97 3.772 3.964 -0.192 1
1 1168 . 11 1 1 A 97 97 ARG CB C 97 29.627 29.880 -0.253 1
1 1177 . 11 1 1 A 97 97 ARG C C 97 177.718 178.661 -0.943 1
1 1178 . 11 1 1 A 98 98 LYS N N 98 118.000 119.135 -1.135 1
1 1179 . 11 1 1 A 98 98 LYS H H 98 7.279 7.373 -0.094 1
1 1180 . 11 1 1 A 98 98 LYS CA C 98 59.942 59.070 0.872 1
1 1181 . 11 1 1 A 98 98 LYS HA H 98 4.035 3.946 0.089 1
1 1182 . 11 1 1 A 98 98 LYS CB C 98 33.307 32.272 1.035 1
1 1194 . 11 1 1 A 98 98 LYS C C 98 178.861 178.879 -0.018 1
1 1195 . 11 1 1 A 99 99 ILE N N 99 119.736 120.101 -0.365 1
1 1196 . 11 1 1 A 99 99 ILE H H 99 8.298 7.718 0.580 1
1 1197 . 11 1 1 A 99 99 ILE CA C 99 65.451 65.194 0.257 1
1 1198 . 11 1 1 A 99 99 ILE HA H 99 3.473 3.502 -0.029 1
1 1199 . 11 1 1 A 99 99 ILE CB C 99 38.088 37.385 0.703 1
1 1212 . 11 1 1 A 99 99 ILE C C 99 181.472 177.804 3.668 1
1 1213 . 11 1 1 A 100 100 ALA N N 100 124.832 121.763 3.069 1
1 1214 . 11 1 1 A 100 100 ALA H H 100 8.473 7.870 0.603 1
1 1215 . 11 1 1 A 100 100 ALA CA C 100 54.623 54.695 -0.072 1
1 1216 . 11 1 1 A 100 100 ALA HA H 100 4.481 3.983 0.498 1
1 1217 . 11 1 1 A 100 100 ALA CB C 100 19.106 18.701 0.405 1
1 1221 . 11 1 1 A 100 100 ALA C C 100 177.755 179.099 -1.344 1
1 1222 . 11 1 1 A 101 101 GLN N N 101 113.891 114.516 -0.625 1
1 1223 . 11 1 1 A 101 101 GLN H H 101 7.665 7.599 0.066 1
1 1224 . 11 1 1 A 101 101 GLN CA C 101 55.681 55.309 0.372 1
1 1225 . 11 1 1 A 101 101 GLN HA H 101 4.378 4.425 -0.047 1
1 1226 . 11 1 1 A 101 101 GLN CB C 101 28.879 28.520 0.359 1
1 1235 . 11 1 1 A 101 101 GLN C C 101 175.604 175.233 0.371 1
1 1236 . 11 1 1 A 102 102 CYS N N 102 114.274 116.952 -2.678 1
1 1237 . 11 1 1 A 102 102 CYS H H 102 8.300 7.906 0.394 1
1 1238 . 11 1 1 A 102 102 CYS CA C 102 58.700 59.960 -1.260 1
1 1239 . 11 1 1 A 102 102 CYS HA H 102 4.030 4.157 -0.127 1
1 1240 . 11 1 1 A 102 102 CYS CB C 102 24.987 25.527 -0.540 1
1 1243 . 11 1 1 A 102 102 CYS C C 102 174.186 174.165 0.021 1
1 1244 . 11 1 1 A 103 103 ALA N N 103 123.512 124.428 -0.916 1
1 1245 . 11 1 1 A 103 103 ALA H H 103 8.175 7.493 0.682 1
1 1246 . 11 1 1 A 103 103 ALA CA C 103 50.841 51.259 -0.418 1
1 1247 . 11 1 1 A 103 103 ALA HA H 103 4.458 4.354 0.104 1
1 1248 . 11 1 1 A 103 103 ALA CB C 103 18.353 18.564 -0.211 1
1 1252 . 11 1 1 A 103 103 ALA C C 103 175.904 175.858 0.046 1
1 1253 . 11 1 1 A 104 104 PRO CA C 104 64.290 63.913 0.377 1
1 1254 . 11 1 1 A 104 104 PRO HA H 104 4.315 4.323 -0.008 1
1 1255 . 11 1 1 A 104 104 PRO CB C 104 32.028 31.301 0.727 1
1 1264 . 11 1 1 A 104 104 PRO C C 104 178.173 177.669 0.504 1
1 1265 . 11 1 1 A 105 105 GLY N N 105 113.466 112.862 0.604 1
1 1266 . 11 1 1 A 105 105 GLY H H 105 9.036 8.982 0.054 1
1 1267 . 11 1 1 A 105 105 GLY CA C 105 45.935 46.984 -1.049 1
1 1268 . 11 1 1 A 105 105 GLY HA2 H 105 4.044 3.891 0.153 1
1 1269 . 11 1 1 A 105 105 GLY HA3 H 105 3.832 3.896 -0.064 1
1 1270 . 11 1 1 A 105 105 GLY C C 105 174.928 174.691 0.237 1
1 1271 . 11 1 1 A 106 106 VAL N N 106 117.991 117.077 0.914 1
1 1272 . 11 1 1 A 106 106 VAL H H 106 6.964 7.648 -0.684 1
1 1273 . 11 1 1 A 106 106 VAL CA C 106 66.071 63.925 2.146 1
1 1274 . 11 1 1 A 106 106 VAL HA H 106 3.842 4.260 -0.418 1
1 1275 . 11 1 1 A 106 106 VAL CB C 106 31.337 33.864 -2.527 1
1 1285 . 11 1 1 A 106 106 VAL C C 106 178.061 176.690 1.371 1
1 1286 . 11 1 1 A 107 107 VAL N N 107 121.474 120.240 1.234 1
1 1287 . 11 1 1 A 107 107 VAL H H 107 9.039 8.198 0.841 1
1 1288 . 11 1 1 A 107 107 VAL CA C 107 65.971 65.133 0.838 1
1 1289 . 11 1 1 A 107 107 VAL HA H 107 3.743 3.725 0.018 1
1 1290 . 11 1 1 A 107 107 VAL CB C 107 30.959 31.236 -0.277 1
1 1300 . 11 1 1 A 107 107 VAL C C 107 177.629 177.320 0.309 1
1 1301 . 11 1 1 A 108 108 GLU N N 108 126.242 122.378 3.864 1
1 1302 . 11 1 1 A 108 108 GLU H H 108 11.107 8.241 2.866 1
1 1303 . 11 1 1 A 108 108 GLU CA C 108 62.429 59.338 3.091 1
1 1304 . 11 1 1 A 108 108 GLU HA H 108 3.584 4.041 -0.457 1
1 1305 . 11 1 1 A 108 108 GLU CB C 108 28.863 29.363 -0.500 1
1 1311 . 11 1 1 A 108 108 GLU C C 108 176.878 179.293 -2.415 1
1 1312 . 11 1 1 A 109 109 LEU N N 109 114.111 120.187 -6.076 1
1 1313 . 11 1 1 A 109 109 LEU H H 109 7.474 7.843 -0.369 1
1 1314 . 11 1 1 A 109 109 LEU CA C 109 56.293 57.759 -1.466 1
1 1315 . 11 1 1 A 109 109 LEU HA H 109 4.024 4.018 0.006 1
1 1316 . 11 1 1 A 109 109 LEU CB C 109 40.846 41.734 -0.888 1
1 1329 . 11 1 1 A 109 109 LEU C C 109 178.647 178.569 0.078 1
1 1330 . 11 1 1 A 110 110 VAL N N 110 116.984 118.421 -1.437 1
1 1331 . 11 1 1 A 110 110 VAL H H 110 7.557 7.353 0.204 1
1 1332 . 11 1 1 A 110 110 VAL CA C 110 64.274 64.879 -0.605 1
1 1333 . 11 1 1 A 110 110 VAL HA H 110 4.206 4.022 0.184 1
1 1334 . 11 1 1 A 110 110 VAL CB C 110 33.070 32.285 0.785 1
1 1344 . 11 1 1 A 110 110 VAL C C 110 176.435 177.832 -1.397 1
1 1345 . 11 1 1 A 111 111 LEU N N 111 118.461 119.743 -1.282 1
1 1346 . 11 1 1 A 111 111 LEU H H 111 8.453 8.071 0.382 1
1 1347 . 11 1 1 A 111 111 LEU CA C 111 58.047 57.794 0.253 1
1 1348 . 11 1 1 A 111 111 LEU HA H 111 4.003 4.158 -0.155 1
1 1349 . 11 1 1 A 111 111 LEU CB C 111 43.552 41.649 1.903 1
1 1362 . 11 1 1 A 111 111 LEU C C 111 177.274 179.043 -1.769 1
1 1363 . 11 1 1 A 112 112 ILE N N 112 115.835 119.181 -3.346 1
1 1364 . 11 1 1 A 112 112 ILE H H 112 7.850 8.203 -0.353 1
1 1365 . 11 1 1 A 112 112 ILE CA C 112 67.843 66.437 1.406 1
1 1366 . 11 1 1 A 112 112 ILE HA H 112 3.636 3.487 0.149 1
1 1367 . 11 1 1 A 112 112 ILE CB C 112 36.504 35.903 0.601 1
1 1380 . 11 1 1 A 112 112 ILE C C 112 176.487 175.153 1.334 1
1 1381 . 11 1 1 A 113 113 PRO CA C 113 64.872 65.189 -0.317 1
1 1382 . 11 1 1 A 113 113 PRO HA H 113 4.420 4.335 0.085 1
1 1383 . 11 1 1 A 113 113 PRO CB C 113 30.348 31.296 -0.948 1
1 1392 . 11 1 1 A 113 113 PRO C C 113 179.001 178.803 0.198 1
1 1393 . 11 1 1 A 114 114 LEU N N 114 120.690 118.108 2.582 1
1 1394 . 11 1 1 A 114 114 LEU H H 114 7.672 7.371 0.301 1
1 1395 . 11 1 1 A 114 114 LEU CA C 114 58.337 57.856 0.481 1
1 1396 . 11 1 1 A 114 114 LEU HA H 114 3.490 3.962 -0.472 1
1 1397 . 11 1 1 A 114 114 LEU CB C 114 41.840 41.440 0.400 1
1 1410 . 11 1 1 A 114 114 LEU C C 114 177.486 178.215 -0.729 1
1 1411 . 11 1 1 A 115 115 ARG N N 115 119.039 119.019 0.020 1
1 1412 . 11 1 1 A 115 115 ARG H H 115 8.159 7.425 0.734 1
1 1413 . 11 1 1 A 115 115 ARG CA C 115 60.199 59.685 0.514 1
1 1414 . 11 1 1 A 115 115 ARG HA H 115 3.215 3.636 -0.421 1
1 1415 . 11 1 1 A 115 115 ARG CB C 115 28.049 29.289 -1.240 1
1 1426 . 11 1 1 A 115 115 ARG C C 115 177.460 178.341 -0.881 1
1 1427 . 11 1 1 A 116 116 GLN N N 116 115.221 118.151 -2.930 1
1 1428 . 11 1 1 A 116 116 GLN H H 116 6.825 8.193 -1.368 1
1 1429 . 11 1 1 A 116 116 GLN CA C 116 58.838 59.157 -0.319 1
1 1430 . 11 1 1 A 116 116 GLN HA H 116 3.830 3.901 -0.071 1
1 1431 . 11 1 1 A 116 116 GLN CB C 116 27.871 28.058 -0.187 1
1 1440 . 11 1 1 A 116 116 GLN C C 116 178.648 178.886 -0.238 1
1 1441 . 11 1 1 A 117 117 ARG N N 117 118.476 119.973 -1.497 1
1 1442 . 11 1 1 A 117 117 ARG H H 117 8.028 7.939 0.089 1
1 1443 . 11 1 1 A 117 117 ARG CA C 117 57.607 58.886 -1.279 1
1 1444 . 11 1 1 A 117 117 ARG HA H 117 4.117 4.072 0.045 1
1 1445 . 11 1 1 A 117 117 ARG CB C 117 30.040 30.033 0.007 1
1 1454 . 11 1 1 A 117 117 ARG C C 117 179.370 178.743 0.627 1
1 1455 . 11 1 1 A 118 118 LEU N N 118 120.407 120.254 0.153 1
1 1456 . 11 1 1 A 118 118 LEU H H 118 8.533 8.123 0.410 1
1 1457 . 11 1 1 A 118 118 LEU CA C 118 58.295 57.870 0.425 1
1 1458 . 11 1 1 A 118 118 LEU HA H 118 3.950 4.022 -0.072 1
1 1459 . 11 1 1 A 118 118 LEU CB C 118 40.472 41.252 -0.780 1
1 1472 . 11 1 1 A 118 118 LEU C C 118 178.577 179.098 -0.521 1
1 1473 . 11 1 1 A 119 119 GLU N N 119 116.858 117.616 -0.758 1
1 1474 . 11 1 1 A 119 119 GLU H H 119 8.220 8.666 -0.446 1
1 1475 . 11 1 1 A 119 119 GLU CA C 119 59.441 59.971 -0.530 1
1 1476 . 11 1 1 A 119 119 GLU HA H 119 4.047 4.061 -0.014 1
1 1477 . 11 1 1 A 119 119 GLU CB C 119 29.271 29.300 -0.029 1
1 1483 . 11 1 1 A 119 119 GLU C C 119 179.631 179.275 0.356 1
1 1484 . 11 1 1 A 120 120 GLU N N 120 119.797 119.874 -0.077 1
1 1485 . 11 1 1 A 120 120 GLU H H 120 8.199 7.826 0.373 1
1 1486 . 11 1 1 A 120 120 GLU CA C 120 59.223 59.140 0.083 1
1 1487 . 11 1 1 A 120 120 GLU HA H 120 4.062 4.154 -0.092 1
1 1488 . 11 1 1 A 120 120 GLU CB C 120 29.562 29.407 0.155 1
1 1494 . 11 1 1 A 120 120 GLU C C 120 178.823 178.215 0.608 1
1 1495 . 11 1 1 A 121 121 ARG N N 121 118.760 119.608 -0.848 1
1 1496 . 11 1 1 A 121 121 ARG H H 121 7.928 8.362 -0.434 1
1 1497 . 11 1 1 A 121 121 ARG CA C 121 58.065 58.188 -0.123 1
1 1498 . 11 1 1 A 121 121 ARG HA H 121 4.136 4.245 -0.109 1
1 1499 . 11 1 1 A 121 121 ARG CB C 121 29.478 30.789 -1.311 1
1 1508 . 11 1 1 A 121 121 ARG C C 121 178.426 178.921 -0.495 1
1 1509 . 11 1 1 A 122 122 GLN N N 122 119.430 119.705 -0.275 1
1 1510 . 11 1 1 A 122 122 GLN H H 122 8.323 8.722 -0.399 1
1 1511 . 11 1 1 A 122 122 GLN CA C 122 58.489 59.303 -0.814 1
1 1512 . 11 1 1 A 122 122 GLN HA H 122 4.352 4.160 0.192 1
1 1513 . 11 1 1 A 122 122 GLN CB C 122 29.611 28.970 0.641 1
1 1522 . 11 1 1 A 122 122 GLN C C 122 177.291 177.988 -0.697 1
1 1523 . 11 1 1 A 123 123 ARG N N 123 118.341 118.777 -0.436 1
1 1524 . 11 1 1 A 123 123 ARG H H 123 7.920 8.099 -0.179 1
1 1525 . 11 1 1 A 123 123 ARG CA C 123 57.695 59.090 -1.395 1
1 1526 . 11 1 1 A 123 123 ARG HA H 123 4.266 4.188 0.078 1
1 1527 . 11 1 1 A 123 123 ARG CB C 123 30.671 29.985 0.686 1
1 1536 . 11 1 1 A 123 123 ARG C C 123 177.214 176.594 0.620 1
1 1537 . 11 1 1 A 124 124 ARG N N 124 119.452 119.546 -0.094 1
1 1538 . 11 1 1 A 124 124 ARG H H 124 7.850 7.525 0.325 1
1 1539 . 11 1 1 A 124 124 ARG CA C 124 56.814 55.462 1.352 1
1 1540 . 11 1 1 A 124 124 ARG HA H 124 4.300 4.545 -0.245 1
1 1541 . 11 1 1 A 124 124 ARG CB C 124 30.672 30.361 0.311 1
1 1550 . 11 1 1 A 124 124 ARG C C 124 176.540 175.317 1.223 1
1 1551 . 11 1 1 A 125 125 ARG N N 125 120.963 120.593 0.370 1
1 1552 . 11 1 1 A 125 125 ARG H H 125 8.081 8.834 -0.753 1
1 1553 . 11 1 1 A 125 125 ARG CA C 125 56.514 53.946 2.568 1
1 1554 . 11 1 1 A 125 125 ARG HA H 125 4.355 5.147 -0.792 1
1 1555 . 11 1 1 A 125 125 ARG CB C 125 30.694 34.250 -3.556 1
1 1564 . 11 1 1 A 125 125 ARG C C 125 176.133 174.095 2.038 1
1 1565 . 11 1 1 A 126 126 LYS N N 126 122.811 120.170 2.641 1
1 1566 . 11 1 1 A 126 126 LYS H H 126 8.252 8.662 -0.410 1
1 1567 . 11 1 1 A 126 126 LYS CA C 126 56.430 54.771 1.659 1
1 1568 . 11 1 1 A 126 126 LYS HA H 126 4.351 4.950 -0.599 1
1 1569 . 11 1 1 A 126 126 LYS CB C 126 33.017 35.341 -2.324 1
1 1581 . 11 1 1 A 126 126 LYS C C 126 175.649 175.803 -0.154 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.715 58.051 0.664 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.472 4.428 0.044 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.934 62.783 1.151 1
1 6 . 12 1 1 A 6 6 SER C C 6 174.927 173.981 0.946 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.435 109.055 1.380 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.348 7.480 0.868 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.364 45.908 -0.544 1
1 10 . 12 1 1 A 7 7 GLY HA2 H 7 3.919 4.096 -0.177 1
1 11 . 12 1 1 A 7 7 GLY HA3 H 7 3.919 4.096 -0.177 1
1 12 . 12 1 1 A 7 7 GLY C C 7 173.952 172.218 1.734 1
1 13 . 12 1 1 A 8 8 MET N N 8 119.481 122.190 -2.709 1
1 14 . 12 1 1 A 8 8 MET H H 8 8.163 8.378 -0.215 1
1 15 . 12 1 1 A 8 8 MET CA C 8 55.472 54.393 1.079 1
1 16 . 12 1 1 A 8 8 MET HA H 8 4.486 4.764 -0.278 1
1 17 . 12 1 1 A 8 8 MET CB C 8 33.598 31.126 2.472 1
1 27 . 12 1 1 A 8 8 MET C C 8 176.019 176.068 -0.049 1
1 28 . 12 1 1 A 9 9 ALA N N 9 125.433 124.380 1.053 1
1 29 . 12 1 1 A 9 9 ALA H H 9 8.436 8.073 0.363 1
1 30 . 12 1 1 A 9 9 ALA CA C 9 52.481 51.066 1.415 1
1 31 . 12 1 1 A 9 9 ALA HA H 9 4.381 4.592 -0.211 1
1 32 . 12 1 1 A 9 9 ALA CB C 9 19.322 19.702 -0.380 1
1 36 . 12 1 1 A 9 9 ALA C C 9 177.349 176.248 1.101 1
1 37 . 12 1 1 A 10 10 SER N N 10 114.383 114.640 -0.257 1
1 38 . 12 1 1 A 10 10 SER H H 10 8.372 7.667 0.705 1
1 39 . 12 1 1 A 10 10 SER CA C 10 58.607 57.768 0.839 1
1 40 . 12 1 1 A 10 10 SER HA H 10 4.470 5.034 -0.564 1
1 41 . 12 1 1 A 10 10 SER CB C 10 63.979 66.553 -2.574 1
1 44 . 12 1 1 A 10 10 SER C C 10 174.323 173.117 1.206 1
1 45 . 12 1 1 A 11 11 SER N N 11 116.549 119.295 -2.746 1
1 46 . 12 1 1 A 11 11 SER H H 11 8.111 8.697 -0.586 1
1 47 . 12 1 1 A 11 11 SER CA C 11 58.189 58.054 0.135 1
1 48 . 12 1 1 A 11 11 SER HA H 11 4.487 4.645 -0.158 1
1 49 . 12 1 1 A 11 11 SER CB C 11 64.081 64.444 -0.363 1
1 52 . 12 1 1 A 11 11 SER C C 11 173.692 175.065 -1.373 1
1 53 . 12 1 1 A 12 12 VAL N N 12 120.502 122.934 -2.432 1
1 54 . 12 1 1 A 12 12 VAL H H 12 8.207 8.237 -0.030 1
1 55 . 12 1 1 A 12 12 VAL CA C 12 61.847 63.493 -1.646 1
1 56 . 12 1 1 A 12 12 VAL HA H 12 4.150 3.983 0.167 1
1 57 . 12 1 1 A 12 12 VAL CB C 12 33.269 31.745 1.524 1
1 67 . 12 1 1 A 12 12 VAL C C 12 174.930 175.871 -0.941 1
1 68 . 12 1 1 A 13 13 ASP N N 13 124.104 126.580 -2.476 1
1 69 . 12 1 1 A 13 13 ASP H H 13 7.953 9.004 -1.051 1
1 70 . 12 1 1 A 13 13 ASP CA C 13 53.249 53.212 0.037 1
1 71 . 12 1 1 A 13 13 ASP HA H 13 4.661 4.936 -0.275 1
1 72 . 12 1 1 A 13 13 ASP CB C 13 41.891 42.047 -0.156 1
1 75 . 12 1 1 A 13 13 ASP C C 13 176.009 177.670 -1.661 1
1 76 . 12 1 1 A 14 14 GLU N N 14 120.197 121.628 -1.431 1
1 77 . 12 1 1 A 14 14 GLU H H 14 8.568 8.707 -0.139 1
1 78 . 12 1 1 A 14 14 GLU CA C 14 59.932 59.786 0.146 1
1 79 . 12 1 1 A 14 14 GLU HA H 14 3.944 3.935 0.009 1
1 80 . 12 1 1 A 14 14 GLU CB C 14 29.670 29.425 0.245 1
1 86 . 12 1 1 A 14 14 GLU C C 14 178.863 178.535 0.328 1
1 87 . 12 1 1 A 15 15 GLU N N 15 120.713 118.209 2.504 1
1 88 . 12 1 1 A 15 15 GLU H H 15 8.312 8.357 -0.045 1
1 89 . 12 1 1 A 15 15 GLU CA C 15 59.101 59.081 0.020 1
1 90 . 12 1 1 A 15 15 GLU HA H 15 4.244 4.135 0.109 1
1 91 . 12 1 1 A 15 15 GLU CB C 15 28.917 29.472 -0.555 1
1 97 . 12 1 1 A 15 15 GLU C C 15 178.511 178.661 -0.150 1
1 98 . 12 1 1 A 16 16 ALA N N 16 123.041 122.548 0.493 1
1 99 . 12 1 1 A 16 16 ALA H H 16 8.047 7.804 0.243 1
1 100 . 12 1 1 A 16 16 ALA CA C 16 54.830 54.959 -0.129 1
1 101 . 12 1 1 A 16 16 ALA HA H 16 4.093 4.107 -0.014 1
1 102 . 12 1 1 A 16 16 ALA CB C 16 18.371 18.194 0.177 1
1 106 . 12 1 1 A 16 16 ALA C C 16 181.428 180.060 1.368 1
1 107 . 12 1 1 A 17 17 LEU N N 17 119.436 118.804 0.632 1
1 108 . 12 1 1 A 17 17 LEU H H 17 8.042 8.236 -0.194 1
1 109 . 12 1 1 A 17 17 LEU CA C 17 57.623 58.045 -0.422 1
1 110 . 12 1 1 A 17 17 LEU HA H 17 3.838 4.037 -0.199 1
1 111 . 12 1 1 A 17 17 LEU CB C 17 41.323 42.505 -1.182 1
1 124 . 12 1 1 A 17 17 LEU C C 17 177.590 178.932 -1.342 1
1 125 . 12 1 1 A 18 18 HIS N N 18 118.394 117.901 0.493 1
1 126 . 12 1 1 A 18 18 HIS H H 18 8.182 8.748 -0.566 1
1 127 . 12 1 1 A 18 18 HIS CA C 18 59.415 60.146 -0.731 1
1 128 . 12 1 1 A 18 18 HIS HA H 18 4.435 4.048 0.387 1
1 129 . 12 1 1 A 18 18 HIS CB C 18 29.560 29.785 -0.225 1
1 136 . 12 1 1 A 18 18 HIS C C 18 178.114 176.754 1.360 1
1 137 . 12 1 1 A 19 19 GLN N N 19 115.623 116.889 -1.266 1
1 138 . 12 1 1 A 19 19 GLN H H 19 8.178 8.448 -0.270 1
1 139 . 12 1 1 A 19 19 GLN CA C 19 58.406 59.061 -0.655 1
1 140 . 12 1 1 A 19 19 GLN HA H 19 3.904 3.752 0.152 1
1 141 . 12 1 1 A 19 19 GLN CB C 19 28.118 28.372 -0.254 1
1 150 . 12 1 1 A 19 19 GLN C C 19 179.132 178.427 0.705 1
1 151 . 12 1 1 A 20 20 LEU N N 20 122.817 121.322 1.495 1
1 152 . 12 1 1 A 20 20 LEU H H 20 7.949 8.279 -0.330 1
1 153 . 12 1 1 A 20 20 LEU CA C 20 58.278 57.737 0.541 1
1 154 . 12 1 1 A 20 20 LEU HA H 20 4.233 4.131 0.102 1
1 155 . 12 1 1 A 20 20 LEU CB C 20 40.850 41.886 -1.036 1
1 168 . 12 1 1 A 20 20 LEU C C 20 178.466 178.190 0.276 1
1 169 . 12 1 1 A 21 21 TYR N N 21 118.825 118.881 -0.056 1
1 170 . 12 1 1 A 21 21 TYR H H 21 8.376 8.281 0.095 1
1 171 . 12 1 1 A 21 21 TYR CA C 21 60.605 60.962 -0.357 1
1 172 . 12 1 1 A 21 21 TYR HA H 21 4.286 4.340 -0.054 1
1 173 . 12 1 1 A 21 21 TYR CB C 21 36.667 38.037 -1.370 1
1 184 . 12 1 1 A 21 21 TYR C C 21 178.654 178.230 0.424 1
1 185 . 12 1 1 A 22 22 LEU N N 22 118.954 119.786 -0.832 1
1 186 . 12 1 1 A 22 22 LEU H H 22 7.869 8.466 -0.597 1
1 187 . 12 1 1 A 22 22 LEU CA C 22 57.887 58.164 -0.277 1
1 188 . 12 1 1 A 22 22 LEU HA H 22 4.076 3.835 0.241 1
1 189 . 12 1 1 A 22 22 LEU CB C 22 42.250 41.860 0.390 1
1 202 . 12 1 1 A 22 22 LEU C C 22 178.877 178.766 0.111 1
1 203 . 12 1 1 A 23 23 TRP N N 23 120.668 119.992 0.676 1
1 204 . 12 1 1 A 23 23 TRP H H 23 7.804 8.072 -0.268 1
1 205 . 12 1 1 A 23 23 TRP CA C 23 60.711 61.024 -0.313 1
1 206 . 12 1 1 A 23 23 TRP HA H 23 4.436 4.144 0.292 1
1 207 . 12 1 1 A 23 23 TRP CB C 23 28.035 29.854 -1.819 1
1 222 . 12 1 1 A 23 23 TRP C C 23 178.471 178.460 0.011 1
1 223 . 12 1 1 A 24 24 VAL N N 24 116.831 119.387 -2.556 1
1 224 . 12 1 1 A 24 24 VAL H H 24 8.503 8.143 0.360 1
1 225 . 12 1 1 A 24 24 VAL CA C 24 66.014 66.192 -0.178 1
1 226 . 12 1 1 A 24 24 VAL HA H 24 3.084 3.003 0.081 1
1 227 . 12 1 1 A 24 24 VAL CB C 24 31.826 31.383 0.443 1
1 237 . 12 1 1 A 24 24 VAL C C 24 178.212 177.579 0.633 1
1 238 . 12 1 1 A 25 25 ASP N N 25 117.894 120.374 -2.480 1
1 239 . 12 1 1 A 25 25 ASP H H 25 8.140 8.359 -0.219 1
1 240 . 12 1 1 A 25 25 ASP CA C 25 57.043 57.655 -0.612 1
1 241 . 12 1 1 A 25 25 ASP HA H 25 4.290 4.323 -0.033 1
1 242 . 12 1 1 A 25 25 ASP CB C 25 41.067 40.242 0.825 1
1 245 . 12 1 1 A 25 25 ASP C C 25 177.163 178.712 -1.549 1
1 246 . 12 1 1 A 26 26 ASN N N 26 114.914 116.771 -1.857 1
1 247 . 12 1 1 A 26 26 ASN H H 26 7.229 8.005 -0.776 1
1 248 . 12 1 1 A 26 26 ASN CA C 26 53.375 56.523 -3.148 1
1 249 . 12 1 1 A 26 26 ASN HA H 26 4.607 4.356 0.251 1
1 250 . 12 1 1 A 26 26 ASN CB C 26 40.048 38.138 1.910 1
1 256 . 12 1 1 A 26 26 ASN C C 26 174.227 176.785 -2.558 1
1 257 . 12 1 1 A 27 27 ILE N N 27 123.268 119.363 3.905 1
1 258 . 12 1 1 A 27 27 ILE H H 27 7.212 7.024 0.188 1
1 259 . 12 1 1 A 27 27 ILE CA C 27 58.327 60.309 -1.982 1
1 260 . 12 1 1 A 27 27 ILE HA H 27 3.628 3.759 -0.131 1
1 261 . 12 1 1 A 27 27 ILE CB C 27 39.403 37.340 2.063 1
1 274 . 12 1 1 A 27 27 ILE C C 27 173.764 174.663 -0.899 1
1 275 . 12 1 1 A 28 28 PRO CA C 28 62.584 62.304 0.280 1
1 276 . 12 1 1 A 28 28 PRO HA H 28 4.354 4.691 -0.337 1
1 277 . 12 1 1 A 28 28 PRO CB C 28 30.056 29.537 0.519 1
1 286 . 12 1 1 A 28 28 PRO C C 28 175.419 175.564 -0.145 1
1 287 . 12 1 1 A 29 29 LEU N N 29 125.355 124.832 0.523 1
1 288 . 12 1 1 A 29 29 LEU H H 29 8.118 8.353 -0.235 1
1 289 . 12 1 1 A 29 29 LEU CA C 29 53.358 53.444 -0.086 1
1 290 . 12 1 1 A 29 29 LEU HA H 29 4.748 4.734 0.014 1
1 291 . 12 1 1 A 29 29 LEU CB C 29 45.279 44.735 0.544 1
1 304 . 12 1 1 A 29 29 LEU C C 29 178.577 176.348 2.229 1
1 305 . 12 1 1 A 31 31 ARG CA C 31 53.250 52.758 0.492 1
1 306 . 12 1 1 A 31 31 ARG HA H 31 4.787 4.867 -0.080 1
1 307 . 12 1 1 A 31 31 ARG CB C 31 32.107 31.628 0.479 1
1 316 . 12 1 1 A 32 32 PRO CA C 32 62.865 62.593 0.272 1
1 317 . 12 1 1 A 32 32 PRO HA H 32 4.300 4.643 -0.343 1
1 318 . 12 1 1 A 32 32 PRO CB C 32 32.193 30.866 1.327 1
1 327 . 12 1 1 A 33 33 LYS CA C 33 56.154 58.949 -2.795 1
1 328 . 12 1 1 A 33 33 LYS HA H 33 4.361 4.018 0.343 1
1 329 . 12 1 1 A 33 33 LYS CB C 33 32.368 31.694 0.674 1
1 341 . 12 1 1 A 34 34 ARG N N 34 122.768 121.073 1.695 1
1 342 . 12 1 1 A 34 34 ARG H H 34 8.410 7.594 0.816 1
1 343 . 12 1 1 A 34 34 ARG HA H 34 4.336 4.372 -0.036 1
1 344 . 12 1 1 A 34 34 ARG CB C 34 31.894 30.922 0.972 1
1 349 . 12 1 1 A 35 35 ASN CA C 35 53.153 54.279 -1.126 1
1 350 . 12 1 1 A 35 35 ASN HA H 35 4.771 4.389 0.382 1
1 351 . 12 1 1 A 35 35 ASN CB C 35 39.425 36.351 3.074 1
1 357 . 12 1 1 A 36 36 LEU N N 36 110.943 119.001 -8.058 1
1 358 . 12 1 1 A 36 36 LEU H H 36 8.305 7.866 0.439 1
1 359 . 12 1 1 A 36 36 LEU CA C 36 60.191 57.990 2.201 1
1 360 . 12 1 1 A 36 36 LEU HA H 36 4.140 4.258 -0.118 1
1 361 . 12 1 1 A 36 36 LEU CB C 36 41.876 41.057 0.819 1
1 374 . 12 1 1 A 37 37 SER CA C 37 61.673 61.596 0.077 1
1 375 . 12 1 1 A 37 37 SER HA H 37 4.080 3.958 0.122 1
1 376 . 12 1 1 A 37 37 SER CB C 37 62.700 62.928 -0.228 1
1 379 . 12 1 1 A 38 38 ARG N N 38 119.288 120.835 -1.547 1
1 380 . 12 1 1 A 38 38 ARG H H 38 7.773 8.011 -0.238 1
1 381 . 12 1 1 A 38 38 ARG HA H 38 4.587 4.019 0.568 1
1 384 . 12 1 1 A 39 39 ASP N N 39 121.607 118.037 3.570 1
1 385 . 12 1 1 A 39 39 ASP H H 39 9.487 8.138 1.349 1
1 386 . 12 1 1 A 39 39 ASP CA C 39 58.026 57.071 0.955 1
1 387 . 12 1 1 A 39 39 ASP HA H 39 4.518 4.462 0.056 1
1 388 . 12 1 1 A 39 39 ASP CB C 39 40.039 40.344 -0.305 1
1 391 . 12 1 1 A 40 40 PHE N N 40 115.310 118.455 -3.145 1
1 392 . 12 1 1 A 40 40 PHE H H 40 8.300 8.926 -0.626 1
1 393 . 12 1 1 A 40 40 PHE CA C 40 59.420 60.569 -1.149 1
1 394 . 12 1 1 A 40 40 PHE HA H 40 4.605 4.341 0.264 1
1 395 . 12 1 1 A 40 40 PHE CB C 40 39.030 38.599 0.431 1
1 408 . 12 1 1 A 41 41 SER N N 41 115.417 114.883 0.534 1
1 409 . 12 1 1 A 41 41 SER H H 41 7.441 8.467 -1.026 1
1 410 . 12 1 1 A 41 41 SER CA C 41 62.290 61.653 0.637 1
1 411 . 12 1 1 A 41 41 SER HA H 41 4.341 4.245 0.096 1
1 412 . 12 1 1 A 41 41 SER CB C 41 64.510 63.146 1.364 1
1 415 . 12 1 1 A 42 42 ASP N N 42 117.563 119.229 -1.666 1
1 416 . 12 1 1 A 42 42 ASP H H 42 8.726 8.412 0.314 1
1 417 . 12 1 1 A 42 42 ASP CA C 42 53.746 55.247 -1.501 1
1 418 . 12 1 1 A 42 42 ASP HA H 42 4.780 4.516 0.264 1
1 419 . 12 1 1 A 42 42 ASP CB C 42 42.695 41.111 1.584 1
1 422 . 12 1 1 A 42 42 ASP C C 42 176.013 176.296 -0.283 1
1 423 . 12 1 1 A 43 43 GLY N N 43 106.643 106.920 -0.277 1
1 424 . 12 1 1 A 43 43 GLY H H 43 7.388 7.665 -0.277 1
1 425 . 12 1 1 A 43 43 GLY CA C 43 45.230 44.868 0.362 1
1 426 . 12 1 1 A 43 43 GLY HA2 H 43 3.131 3.349 -0.218 1
1 427 . 12 1 1 A 43 43 GLY HA3 H 43 2.588 3.435 -0.847 1
1 428 . 12 1 1 A 43 43 GLY C C 43 173.476 175.630 -2.154 1
1 429 . 12 1 1 A 44 44 VAL N N 44 121.300 120.111 1.189 1
1 430 . 12 1 1 A 44 44 VAL H H 44 7.874 7.949 -0.075 1
1 431 . 12 1 1 A 44 44 VAL CA C 44 67.198 65.531 1.667 1
1 432 . 12 1 1 A 44 44 VAL HA H 44 3.018 3.413 -0.395 1
1 433 . 12 1 1 A 44 44 VAL CB C 44 31.139 31.602 -0.463 1
1 443 . 12 1 1 A 44 44 VAL C C 44 177.853 177.558 0.295 1
1 444 . 12 1 1 A 45 45 LEU N N 45 114.495 118.853 -4.358 1
1 445 . 12 1 1 A 45 45 LEU H H 45 8.945 7.951 0.994 1
1 446 . 12 1 1 A 45 45 LEU CA C 45 57.466 58.137 -0.671 1
1 447 . 12 1 1 A 45 45 LEU HA H 45 3.838 3.671 0.167 1
1 448 . 12 1 1 A 45 45 LEU CB C 45 40.503 41.435 -0.932 1
1 461 . 12 1 1 A 45 45 LEU C C 45 179.257 178.358 0.899 1
1 462 . 12 1 1 A 46 46 VAL N N 46 118.354 116.925 1.429 1
1 463 . 12 1 1 A 46 46 VAL H H 46 7.422 7.466 -0.044 1
1 464 . 12 1 1 A 46 46 VAL CA C 46 67.288 66.133 1.155 1
1 465 . 12 1 1 A 46 46 VAL HA H 46 3.469 3.288 0.181 1
1 466 . 12 1 1 A 46 46 VAL CB C 46 30.173 31.252 -1.079 1
1 476 . 12 1 1 A 46 46 VAL C C 46 176.954 178.043 -1.089 1
1 477 . 12 1 1 A 47 47 ALA N N 47 121.963 121.814 0.149 1
1 478 . 12 1 1 A 47 47 ALA H H 47 7.272 7.835 -0.563 1
1 479 . 12 1 1 A 47 47 ALA CA C 47 55.991 55.500 0.491 1
1 480 . 12 1 1 A 47 47 ALA HA H 47 3.576 3.829 -0.253 1
1 481 . 12 1 1 A 47 47 ALA CB C 47 17.292 18.243 -0.951 1
1 485 . 12 1 1 A 47 47 ALA C C 47 178.880 179.981 -1.101 1
1 486 . 12 1 1 A 48 48 GLU N N 48 116.763 117.953 -1.190 1
1 487 . 12 1 1 A 48 48 GLU H H 48 8.081 7.628 0.453 1
1 488 . 12 1 1 A 48 48 GLU CA C 48 60.605 59.433 1.172 1
1 489 . 12 1 1 A 48 48 GLU HA H 48 3.851 3.980 -0.129 1
1 490 . 12 1 1 A 48 48 GLU CB C 48 30.467 29.348 1.119 1
1 496 . 12 1 1 A 48 48 GLU C C 48 180.175 179.418 0.757 1
1 497 . 12 1 1 A 49 49 VAL N N 49 122.024 120.204 1.820 1
1 498 . 12 1 1 A 49 49 VAL H H 49 8.325 7.696 0.629 1
1 499 . 12 1 1 A 49 49 VAL CA C 49 67.146 66.600 0.546 1
1 500 . 12 1 1 A 49 49 VAL HA H 49 3.530 3.561 -0.031 1
1 501 . 12 1 1 A 49 49 VAL CB C 49 31.543 31.503 0.040 1
1 511 . 12 1 1 A 49 49 VAL C C 49 177.168 178.313 -1.145 1
1 512 . 12 1 1 A 50 50 ILE N N 50 117.821 119.904 -2.083 1
1 513 . 12 1 1 A 50 50 ILE H H 50 7.947 7.785 0.162 1
1 514 . 12 1 1 A 50 50 ILE CA C 50 66.217 66.006 0.211 1
1 515 . 12 1 1 A 50 50 ILE HA H 50 3.757 3.696 0.061 1
1 516 . 12 1 1 A 50 50 ILE CB C 50 37.952 37.834 0.118 1
1 529 . 12 1 1 A 50 50 ILE C C 50 177.890 178.014 -0.124 1
1 530 . 12 1 1 A 51 51 LYS N N 51 121.589 121.103 0.486 1
1 531 . 12 1 1 A 51 51 LYS H H 51 8.790 8.021 0.769 1
1 532 . 12 1 1 A 51 51 LYS CA C 51 58.277 59.647 -1.370 1
1 533 . 12 1 1 A 51 51 LYS HA H 51 3.816 4.337 -0.521 1
1 534 . 12 1 1 A 51 51 LYS CB C 51 32.898 32.589 0.309 1
1 546 . 12 1 1 A 51 51 LYS C C 51 176.668 178.599 -1.931 1
1 547 . 12 1 1 A 52 52 PHE N N 52 117.622 120.423 -2.801 1
1 548 . 12 1 1 A 52 52 PHE H H 52 7.768 7.952 -0.184 1
1 549 . 12 1 1 A 52 52 PHE CA C 52 60.585 61.485 -0.900 1
1 550 . 12 1 1 A 52 52 PHE HA H 52 4.090 4.061 0.029 1
1 551 . 12 1 1 A 52 52 PHE CB C 52 38.775 39.169 -0.394 1
1 564 . 12 1 1 A 52 52 PHE C C 52 176.831 176.930 -0.099 1
1 565 . 12 1 1 A 53 53 TYR N N 53 115.876 115.936 -0.060 1
1 566 . 12 1 1 A 53 53 TYR H H 53 7.346 8.403 -1.057 1
1 567 . 12 1 1 A 53 53 TYR CA C 53 61.264 60.080 1.184 1
1 568 . 12 1 1 A 53 53 TYR HA H 53 3.697 3.947 -0.250 1
1 569 . 12 1 1 A 53 53 TYR CB C 53 41.522 39.035 2.487 1
1 580 . 12 1 1 A 53 53 TYR C C 53 175.972 175.562 0.410 1
1 581 . 12 1 1 A 54 54 PHE N N 54 116.478 116.804 -0.326 1
1 582 . 12 1 1 A 54 54 PHE H H 54 8.877 8.429 0.448 1
1 583 . 12 1 1 A 54 54 PHE CA C 54 55.553 55.249 0.304 1
1 584 . 12 1 1 A 54 54 PHE HA H 54 5.173 4.999 0.174 1
1 585 . 12 1 1 A 54 54 PHE CB C 54 40.841 41.723 -0.882 1
1 598 . 12 1 1 A 54 54 PHE C C 54 173.424 174.779 -1.355 1
1 599 . 12 1 1 A 55 55 PRO CA C 55 65.147 65.129 0.018 1
1 600 . 12 1 1 A 55 55 PRO HA H 55 4.591 4.398 0.193 1
1 601 . 12 1 1 A 55 55 PRO CB C 55 32.014 32.029 -0.015 1
1 610 . 12 1 1 A 55 55 PRO C C 55 179.255 178.684 0.571 1
1 611 . 12 1 1 A 56 56 LYS N N 56 113.672 116.575 -2.903 1
1 612 . 12 1 1 A 56 56 LYS H H 56 8.639 8.871 -0.232 1
1 613 . 12 1 1 A 56 56 LYS CA C 56 56.918 59.045 -2.127 1
1 614 . 12 1 1 A 56 56 LYS HA H 56 4.384 4.128 0.256 1
1 615 . 12 1 1 A 56 56 LYS CB C 56 31.868 32.350 -0.482 1
1 627 . 12 1 1 A 56 56 LYS C C 56 178.220 178.706 -0.486 1
1 628 . 12 1 1 A 57 57 MET N N 57 116.692 119.269 -2.577 1
1 629 . 12 1 1 A 57 57 MET H H 57 8.099 8.207 -0.108 1
1 630 . 12 1 1 A 57 57 MET CA C 57 57.537 58.872 -1.335 1
1 631 . 12 1 1 A 57 57 MET HA H 57 4.260 4.092 0.168 1
1 632 . 12 1 1 A 57 57 MET CB C 57 35.400 32.393 3.007 1
1 642 . 12 1 1 A 57 57 MET C C 57 174.856 177.336 -2.480 1
1 643 . 12 1 1 A 58 58 VAL N N 58 114.727 119.520 -4.793 1
1 644 . 12 1 1 A 58 58 VAL H H 58 6.872 7.426 -0.554 1
1 645 . 12 1 1 A 58 58 VAL CA C 58 60.834 62.916 -2.082 1
1 646 . 12 1 1 A 58 58 VAL HA H 58 4.421 4.015 0.406 1
1 647 . 12 1 1 A 58 58 VAL CB C 58 36.223 31.670 4.553 1
1 657 . 12 1 1 A 58 58 VAL C C 58 173.747 175.083 -1.336 1
1 658 . 12 1 1 A 59 59 GLU N N 59 127.314 129.229 -1.915 1
1 659 . 12 1 1 A 59 59 GLU H H 59 8.783 9.039 -0.256 1
1 660 . 12 1 1 A 59 59 GLU CA C 59 54.465 54.996 -0.531 1
1 661 . 12 1 1 A 59 59 GLU HA H 59 4.671 4.949 -0.278 1
1 662 . 12 1 1 A 59 59 GLU CB C 59 30.020 31.191 -1.171 1
1 668 . 12 1 1 A 59 59 GLU C C 59 176.450 175.904 0.546 1
1 669 . 12 1 1 A 60 60 MET N N 60 122.273 125.347 -3.074 1
1 670 . 12 1 1 A 60 60 MET H H 60 9.004 8.844 0.160 1
1 671 . 12 1 1 A 60 60 MET CA C 60 55.751 54.808 0.943 1
1 672 . 12 1 1 A 60 60 MET HA H 60 4.613 4.838 -0.225 1
1 673 . 12 1 1 A 60 60 MET CB C 60 29.356 30.908 -1.552 1
1 683 . 12 1 1 A 60 60 MET C C 60 178.387 176.334 2.053 1
1 684 . 12 1 1 A 61 61 HIS N N 61 115.823 119.338 -3.515 1
1 685 . 12 1 1 A 61 61 HIS H H 61 8.198 7.924 0.274 1
1 686 . 12 1 1 A 61 61 HIS CA C 61 57.963 57.876 0.087 1
1 687 . 12 1 1 A 61 61 HIS HA H 61 4.341 4.675 -0.334 1
1 688 . 12 1 1 A 61 61 HIS CB C 61 29.235 31.401 -2.166 1
1 695 . 12 1 1 A 61 61 HIS C C 61 175.800 176.535 -0.735 1
1 696 . 12 1 1 A 62 62 ASN N N 62 115.093 112.839 2.254 1
1 697 . 12 1 1 A 62 62 ASN H H 62 6.895 7.932 -1.037 1
1 698 . 12 1 1 A 62 62 ASN CA C 62 54.503 53.018 1.485 1
1 699 . 12 1 1 A 62 62 ASN HA H 62 3.872 4.588 -0.716 1
1 700 . 12 1 1 A 62 62 ASN CB C 62 38.749 39.287 -0.538 1
1 706 . 12 1 1 A 62 62 ASN C C 62 173.014 174.807 -1.793 1
1 707 . 12 1 1 A 63 63 TYR N N 63 118.560 119.601 -1.041 1
1 708 . 12 1 1 A 63 63 TYR H H 63 7.255 7.368 -0.113 1
1 709 . 12 1 1 A 63 63 TYR CA C 63 56.311 58.725 -2.414 1
1 710 . 12 1 1 A 63 63 TYR HA H 63 4.481 4.589 -0.108 1
1 711 . 12 1 1 A 63 63 TYR CB C 63 39.138 39.942 -0.804 1
1 722 . 12 1 1 A 63 63 TYR C C 63 173.223 176.006 -2.783 1
1 723 . 12 1 1 A 64 64 VAL N N 64 122.318 121.326 0.992 1
1 724 . 12 1 1 A 64 64 VAL H H 64 7.750 8.547 -0.797 1
1 725 . 12 1 1 A 64 64 VAL CA C 64 58.601 58.972 -0.371 1
1 726 . 12 1 1 A 64 64 VAL HA H 64 4.469 4.640 -0.171 1
1 727 . 12 1 1 A 64 64 VAL CB C 64 33.747 35.744 -1.997 1
1 737 . 12 1 1 A 64 64 VAL C C 64 173.983 173.432 0.551 1
1 738 . 12 1 1 A 65 65 PRO CA C 65 63.212 62.560 0.652 1
1 739 . 12 1 1 A 65 65 PRO HA H 65 4.348 4.718 -0.370 1
1 740 . 12 1 1 A 65 65 PRO CB C 65 31.279 31.804 -0.525 1
1 749 . 12 1 1 A 65 65 PRO C C 65 176.821 176.139 0.682 1
1 750 . 12 1 1 A 66 66 ALA N N 66 125.896 125.118 0.778 1
1 751 . 12 1 1 A 66 66 ALA H H 66 8.563 8.440 0.123 1
1 752 . 12 1 1 A 66 66 ALA CA C 66 52.003 50.454 1.549 1
1 753 . 12 1 1 A 66 66 ALA HA H 66 4.651 4.817 -0.166 1
1 754 . 12 1 1 A 66 66 ALA CB C 66 24.137 22.812 1.325 1
1 758 . 12 1 1 A 66 66 ALA C C 66 176.244 176.097 0.147 1
1 759 . 12 1 1 A 67 67 ASN CA C 67 52.862 54.264 -1.402 1
1 760 . 12 1 1 A 67 67 ASN HA H 67 4.988 4.928 0.060 1
1 761 . 12 1 1 A 67 67 ASN CB C 67 40.168 40.711 -0.543 1
1 767 . 12 1 1 A 67 67 ASN C C 67 174.896 175.284 -0.388 1
1 768 . 12 1 1 A 68 68 SER N N 68 114.553 113.949 0.604 1
1 769 . 12 1 1 A 68 68 SER H H 68 7.777 7.661 0.116 1
1 770 . 12 1 1 A 68 68 SER CA C 68 56.741 58.407 -1.666 1
1 771 . 12 1 1 A 68 68 SER HA H 68 4.737 4.330 0.407 1
1 772 . 12 1 1 A 68 68 SER CB C 68 65.267 63.903 1.364 1
1 775 . 12 1 1 A 68 68 SER C C 68 174.542 175.231 -0.689 1
1 776 . 12 1 1 A 69 69 LEU CA C 69 59.000 58.756 0.244 1
1 777 . 12 1 1 A 69 69 LEU HA H 69 3.961 4.082 -0.121 1
1 778 . 12 1 1 A 69 69 LEU CB C 69 41.679 41.259 0.420 1
1 791 . 12 1 1 A 69 69 LEU C C 69 178.629 177.771 0.858 1
1 792 . 12 1 1 A 70 70 GLN N N 70 115.924 118.770 -2.846 1
1 793 . 12 1 1 A 70 70 GLN H H 70 8.785 8.116 0.669 1
1 794 . 12 1 1 A 70 70 GLN CA C 70 59.728 59.504 0.224 1
1 795 . 12 1 1 A 70 70 GLN HA H 70 3.977 3.987 -0.010 1
1 796 . 12 1 1 A 70 70 GLN CB C 70 27.912 28.562 -0.650 1
1 805 . 12 1 1 A 70 70 GLN C C 70 178.954 178.277 0.677 1
1 806 . 12 1 1 A 71 71 GLN N N 71 118.694 119.383 -0.689 1
1 807 . 12 1 1 A 71 71 GLN H H 71 7.780 7.666 0.114 1
1 808 . 12 1 1 A 71 71 GLN CA C 71 58.233 58.935 -0.702 1
1 809 . 12 1 1 A 71 71 GLN HA H 71 4.219 4.013 0.206 1
1 810 . 12 1 1 A 71 71 GLN CB C 71 29.089 28.356 0.733 1
1 819 . 12 1 1 A 71 71 GLN C C 71 178.724 177.960 0.764 1
1 820 . 12 1 1 A 72 72 LYS N N 72 119.661 118.222 1.439 1
1 821 . 12 1 1 A 72 72 LYS H H 72 8.094 7.760 0.334 1
1 822 . 12 1 1 A 72 72 LYS CA C 72 61.528 59.850 1.678 1
1 823 . 12 1 1 A 72 72 LYS HA H 72 4.206 4.035 0.171 1
1 824 . 12 1 1 A 72 72 LYS CB C 72 33.806 32.447 1.359 1
1 836 . 12 1 1 A 72 72 LYS C C 72 179.041 179.044 -0.003 1
1 837 . 12 1 1 A 73 73 LEU N N 73 117.098 120.830 -3.732 1
1 838 . 12 1 1 A 73 73 LEU H H 73 8.602 7.741 0.861 1
1 839 . 12 1 1 A 73 73 LEU CA C 73 58.118 57.844 0.274 1
1 840 . 12 1 1 A 73 73 LEU HA H 73 4.287 4.082 0.205 1
1 841 . 12 1 1 A 73 73 LEU CB C 73 40.831 41.473 -0.642 1
1 854 . 12 1 1 A 73 73 LEU C C 73 180.838 179.063 1.775 1
1 855 . 12 1 1 A 74 74 SER N N 74 118.060 113.814 4.246 1
1 856 . 12 1 1 A 74 74 SER H H 74 8.334 7.832 0.502 1
1 857 . 12 1 1 A 74 74 SER CA C 74 61.971 61.794 0.177 1
1 858 . 12 1 1 A 74 74 SER HA H 74 4.431 4.140 0.291 1
1 859 . 12 1 1 A 74 74 SER CB C 74 62.560 63.069 -0.509 1
1 862 . 12 1 1 A 74 74 SER C C 74 177.493 177.334 0.159 1
1 863 . 12 1 1 A 75 75 ASN N N 75 121.688 119.026 2.662 1
1 864 . 12 1 1 A 75 75 ASN H H 75 8.266 8.608 -0.342 1
1 865 . 12 1 1 A 75 75 ASN CA C 75 56.090 56.454 -0.364 1
1 866 . 12 1 1 A 75 75 ASN HA H 75 4.739 4.421 0.318 1
1 867 . 12 1 1 A 75 75 ASN CB C 75 38.184 38.233 -0.049 1
1 873 . 12 1 1 A 75 75 ASN C C 75 177.792 177.998 -0.206 1
1 874 . 12 1 1 A 76 76 TRP N N 76 118.943 119.899 -0.956 1
1 875 . 12 1 1 A 76 76 TRP H H 76 8.510 8.203 0.307 1
1 876 . 12 1 1 A 76 76 TRP CA C 76 62.294 59.454 2.840 1
1 877 . 12 1 1 A 76 76 TRP HA H 76 4.173 4.210 -0.037 1
1 878 . 12 1 1 A 76 76 TRP CB C 76 29.223 29.223 0.000 1
1 893 . 12 1 1 A 76 76 TRP C C 76 178.579 178.951 -0.372 1
1 894 . 12 1 1 A 77 77 GLY N N 77 107.789 107.859 -0.070 1
1 895 . 12 1 1 A 77 77 GLY H H 77 8.954 8.921 0.033 1
1 896 . 12 1 1 A 77 77 GLY CA C 77 47.600 47.383 0.217 1
1 897 . 12 1 1 A 77 77 GLY HA2 H 77 4.122 3.855 0.267 1
1 898 . 12 1 1 A 77 77 GLY HA3 H 77 3.977 3.882 0.095 1
1 899 . 12 1 1 A 77 77 GLY C C 77 176.076 176.295 -0.219 1
1 900 . 12 1 1 A 78 78 HIS N N 78 122.925 120.220 2.705 1
1 901 . 12 1 1 A 78 78 HIS H H 78 8.127 7.958 0.169 1
1 902 . 12 1 1 A 78 78 HIS CA C 78 61.550 58.657 2.893 1
1 903 . 12 1 1 A 78 78 HIS HA H 78 4.206 4.690 -0.484 1
1 904 . 12 1 1 A 78 78 HIS CB C 78 30.794 29.982 0.812 1
1 911 . 12 1 1 A 78 78 HIS C C 78 177.572 177.882 -0.310 1
1 912 . 12 1 1 A 79 79 LEU N N 79 120.009 121.233 -1.224 1
1 913 . 12 1 1 A 79 79 LEU H H 79 8.726 8.344 0.382 1
1 914 . 12 1 1 A 79 79 LEU CA C 79 58.252 57.932 0.320 1
1 915 . 12 1 1 A 79 79 LEU HA H 79 4.227 4.166 0.061 1
1 916 . 12 1 1 A 79 79 LEU CB C 79 43.075 41.120 1.955 1
1 929 . 12 1 1 A 79 79 LEU C C 79 181.067 178.686 2.381 1
1 930 . 12 1 1 A 80 80 ASN N N 80 119.257 117.240 2.017 1
1 931 . 12 1 1 A 80 80 ASN H H 80 9.270 8.435 0.835 1
1 932 . 12 1 1 A 80 80 ASN CA C 80 57.279 55.958 1.321 1
1 933 . 12 1 1 A 80 80 ASN HA H 80 4.595 4.589 0.006 1
1 934 . 12 1 1 A 80 80 ASN CB C 80 40.403 38.896 1.507 1
1 940 . 12 1 1 A 80 80 ASN C C 80 177.177 176.531 0.646 1
1 941 . 12 1 1 A 81 81 ARG N N 81 115.731 117.244 -1.513 1
1 942 . 12 1 1 A 81 81 ARG H H 81 8.085 7.848 0.237 1
1 943 . 12 1 1 A 81 81 ARG CA C 81 59.249 55.748 3.501 1
1 944 . 12 1 1 A 81 81 ARG HA H 81 4.167 4.601 -0.434 1
1 945 . 12 1 1 A 81 81 ARG CB C 81 31.579 30.983 0.596 1
1 954 . 12 1 1 A 81 81 ARG C C 81 177.890 176.717 1.173 1
1 955 . 12 1 1 A 82 82 LYS N N 82 113.840 117.712 -3.872 1
1 956 . 12 1 1 A 82 82 LYS H H 82 8.691 7.798 0.893 1
1 957 . 12 1 1 A 82 82 LYS CA C 82 56.216 57.050 -0.834 1
1 958 . 12 1 1 A 82 82 LYS HA H 82 4.441 4.417 0.024 1
1 959 . 12 1 1 A 82 82 LYS CB C 82 32.964 34.106 -1.142 1
1 971 . 12 1 1 A 82 82 LYS C C 82 177.543 177.308 0.235 1
1 972 . 12 1 1 A 83 83 VAL N N 83 117.873 117.738 0.135 1
1 973 . 12 1 1 A 83 83 VAL H H 83 7.786 7.977 -0.191 1
1 974 . 12 1 1 A 83 83 VAL CA C 83 64.939 64.223 0.716 1
1 975 . 12 1 1 A 83 83 VAL HA H 83 4.235 4.150 0.085 1
1 976 . 12 1 1 A 83 83 VAL CB C 83 34.046 31.969 2.077 1
1 986 . 12 1 1 A 83 83 VAL C C 83 176.945 177.784 -0.839 1
1 987 . 12 1 1 A 84 84 LEU N N 84 118.163 120.025 -1.862 1
1 988 . 12 1 1 A 84 84 LEU H H 84 9.200 8.045 1.155 1
1 989 . 12 1 1 A 84 84 LEU CA C 84 58.824 58.256 0.568 1
1 990 . 12 1 1 A 84 84 LEU HA H 84 3.898 3.943 -0.045 1
1 991 . 12 1 1 A 84 84 LEU CB C 84 38.418 41.886 -3.468 1
1 1004 . 12 1 1 A 84 84 LEU C C 84 179.874 178.921 0.953 1
1 1005 . 12 1 1 A 85 85 LYS N N 85 117.114 118.585 -1.471 1
1 1006 . 12 1 1 A 85 85 LYS H H 85 7.303 7.831 -0.528 1
1 1007 . 12 1 1 A 85 85 LYS CA C 85 59.436 59.938 -0.502 1
1 1008 . 12 1 1 A 85 85 LYS HA H 85 4.191 3.956 0.235 1
1 1009 . 12 1 1 A 85 85 LYS CB C 85 33.096 32.464 0.632 1
1 1021 . 12 1 1 A 85 85 LYS C C 85 180.286 178.792 1.494 1
1 1022 . 12 1 1 A 86 86 ARG N N 86 117.181 118.947 -1.766 1
1 1023 . 12 1 1 A 86 86 ARG H H 86 7.216 8.168 -0.952 1
1 1024 . 12 1 1 A 86 86 ARG CA C 86 57.924 59.136 -1.212 1
1 1025 . 12 1 1 A 86 86 ARG HA H 86 4.191 4.000 0.191 1
1 1026 . 12 1 1 A 86 86 ARG CB C 86 29.848 29.809 0.039 1
1 1035 . 12 1 1 A 86 86 ARG C C 86 177.047 178.222 -1.175 1
1 1036 . 12 1 1 A 87 87 LEU N N 87 118.282 117.748 0.534 1
1 1037 . 12 1 1 A 87 87 LEU H H 87 7.584 7.964 -0.380 1
1 1038 . 12 1 1 A 87 87 LEU CA C 87 53.603 54.556 -0.953 1
1 1039 . 12 1 1 A 87 87 LEU HA H 87 4.339 4.404 -0.065 1
1 1040 . 12 1 1 A 87 87 LEU CB C 87 42.059 41.902 0.157 1
1 1053 . 12 1 1 A 87 87 LEU C C 87 175.182 175.480 -0.298 1
1 1054 . 12 1 1 A 88 88 ASN N N 88 115.016 115.126 -0.110 1
1 1055 . 12 1 1 A 88 88 ASN H H 88 7.932 7.971 -0.039 1
1 1056 . 12 1 1 A 88 88 ASN CA C 88 54.081 54.248 -0.167 1
1 1057 . 12 1 1 A 88 88 ASN HA H 88 4.384 4.384 0.000 1
1 1058 . 12 1 1 A 88 88 ASN CB C 88 36.809 37.071 -0.262 1
1 1064 . 12 1 1 A 88 88 ASN C C 88 173.426 173.552 -0.126 1
1 1065 . 12 1 1 A 89 89 PHE N N 89 119.795 118.838 0.957 1
1 1066 . 12 1 1 A 89 89 PHE H H 89 7.739 8.119 -0.380 1
1 1067 . 12 1 1 A 89 89 PHE CA C 89 56.231 57.238 -1.007 1
1 1068 . 12 1 1 A 89 89 PHE HA H 89 4.887 4.949 -0.062 1
1 1069 . 12 1 1 A 89 89 PHE CB C 89 43.188 42.466 0.722 1
1 1082 . 12 1 1 A 89 89 PHE C C 89 172.386 174.188 -1.802 1
1 1083 . 12 1 1 A 90 90 SER N N 90 117.020 120.644 -3.624 1
1 1084 . 12 1 1 A 90 90 SER H H 90 7.301 8.626 -1.325 1
1 1085 . 12 1 1 A 90 90 SER CA C 90 56.762 56.739 0.023 1
1 1086 . 12 1 1 A 90 90 SER HA H 90 4.667 5.399 -0.732 1
1 1087 . 12 1 1 A 90 90 SER CB C 90 64.885 66.583 -1.698 1
1 1090 . 12 1 1 A 90 90 SER C C 90 172.726 173.646 -0.920 1
1 1091 . 12 1 1 A 91 91 VAL N N 91 126.604 122.093 4.511 1
1 1092 . 12 1 1 A 91 91 VAL H H 91 8.959 8.894 0.065 1
1 1093 . 12 1 1 A 91 91 VAL CA C 91 59.173 59.116 0.057 1
1 1094 . 12 1 1 A 91 91 VAL HA H 91 4.336 4.700 -0.364 1
1 1095 . 12 1 1 A 91 91 VAL CB C 91 33.703 35.734 -2.031 1
1 1105 . 12 1 1 A 91 91 VAL C C 91 173.886 173.643 0.243 1
1 1106 . 12 1 1 A 92 92 PRO CA C 92 62.618 62.394 0.224 1
1 1107 . 12 1 1 A 92 92 PRO HA H 92 4.481 4.666 -0.185 1
1 1108 . 12 1 1 A 92 92 PRO CB C 92 33.302 33.465 -0.163 1
1 1117 . 12 1 1 A 92 92 PRO C C 92 177.410 176.286 1.124 1
1 1118 . 12 1 1 A 93 93 ASP N N 93 123.319 121.045 2.274 1
1 1119 . 12 1 1 A 93 93 ASP H H 93 8.854 8.741 0.113 1
1 1120 . 12 1 1 A 93 93 ASP CA C 93 58.347 57.394 0.953 1
1 1121 . 12 1 1 A 93 93 ASP HA H 93 4.298 4.364 -0.066 1
1 1122 . 12 1 1 A 93 93 ASP CB C 93 40.916 40.518 0.398 1
1 1125 . 12 1 1 A 93 93 ASP C C 93 178.221 178.136 0.085 1
1 1126 . 12 1 1 A 94 94 ASP N N 94 116.740 119.084 -2.344 1
1 1127 . 12 1 1 A 94 94 ASP H H 94 8.955 8.100 0.855 1
1 1128 . 12 1 1 A 94 94 ASP CA C 94 56.851 57.498 -0.647 1
1 1129 . 12 1 1 A 94 94 ASP HA H 94 4.222 4.262 -0.040 1
1 1130 . 12 1 1 A 94 94 ASP CB C 94 39.733 41.278 -1.545 1
1 1133 . 12 1 1 A 94 94 ASP C C 94 178.344 178.617 -0.273 1
1 1134 . 12 1 1 A 95 95 VAL N N 95 121.559 118.811 2.748 1
1 1135 . 12 1 1 A 95 95 VAL H H 95 6.935 8.177 -1.242 1
1 1136 . 12 1 1 A 95 95 VAL CA C 95 66.007 66.429 -0.422 1
1 1137 . 12 1 1 A 95 95 VAL HA H 95 3.378 3.545 -0.167 1
1 1138 . 12 1 1 A 95 95 VAL CB C 95 31.712 31.349 0.363 1
1 1148 . 12 1 1 A 95 95 VAL C C 95 177.153 177.673 -0.520 1
1 1149 . 12 1 1 A 96 96 MET N N 96 118.492 117.116 1.376 1
1 1150 . 12 1 1 A 96 96 MET H H 96 7.993 7.657 0.336 1
1 1151 . 12 1 1 A 96 96 MET CA C 96 60.318 58.700 1.618 1
1 1152 . 12 1 1 A 96 96 MET HA H 96 3.037 3.772 -0.735 1
1 1153 . 12 1 1 A 96 96 MET CB C 96 33.348 32.600 0.748 1
1 1163 . 12 1 1 A 96 96 MET C C 96 176.993 178.900 -1.907 1
1 1164 . 12 1 1 A 97 97 ARG N N 97 116.593 118.906 -2.313 1
1 1165 . 12 1 1 A 97 97 ARG H H 97 7.668 8.334 -0.666 1
1 1166 . 12 1 1 A 97 97 ARG CA C 97 60.372 59.835 0.537 1
1 1167 . 12 1 1 A 97 97 ARG HA H 97 3.772 3.959 -0.187 1
1 1168 . 12 1 1 A 97 97 ARG CB C 97 29.627 30.000 -0.373 1
1 1177 . 12 1 1 A 97 97 ARG C C 97 177.718 178.762 -1.044 1
1 1178 . 12 1 1 A 98 98 LYS N N 98 118.000 119.157 -1.157 1
1 1179 . 12 1 1 A 98 98 LYS H H 98 7.279 7.449 -0.170 1
1 1180 . 12 1 1 A 98 98 LYS CA C 98 59.942 59.174 0.768 1
1 1181 . 12 1 1 A 98 98 LYS HA H 98 4.035 3.960 0.075 1
1 1182 . 12 1 1 A 98 98 LYS CB C 98 33.307 32.299 1.008 1
1 1194 . 12 1 1 A 98 98 LYS C C 98 178.861 179.166 -0.305 1
1 1195 . 12 1 1 A 99 99 ILE N N 99 119.736 120.593 -0.857 1
1 1196 . 12 1 1 A 99 99 ILE H H 99 8.298 7.683 0.615 1
1 1197 . 12 1 1 A 99 99 ILE CA C 99 65.451 65.543 -0.092 1
1 1198 . 12 1 1 A 99 99 ILE HA H 99 3.473 3.540 -0.067 1
1 1199 . 12 1 1 A 99 99 ILE CB C 99 38.088 37.406 0.682 1
1 1212 . 12 1 1 A 99 99 ILE C C 99 181.472 178.000 3.472 1
1 1213 . 12 1 1 A 100 100 ALA N N 100 124.832 121.341 3.491 1
1 1214 . 12 1 1 A 100 100 ALA H H 100 8.473 7.936 0.537 1
1 1215 . 12 1 1 A 100 100 ALA CA C 100 54.623 54.348 0.275 1
1 1216 . 12 1 1 A 100 100 ALA HA H 100 4.481 4.166 0.315 1
1 1217 . 12 1 1 A 100 100 ALA CB C 100 19.106 18.243 0.863 1
1 1221 . 12 1 1 A 100 100 ALA C C 100 177.755 178.880 -1.125 1
1 1222 . 12 1 1 A 101 101 GLN N N 101 113.891 114.947 -1.056 1
1 1223 . 12 1 1 A 101 101 GLN H H 101 7.665 7.618 0.047 1
1 1224 . 12 1 1 A 101 101 GLN CA C 101 55.681 55.387 0.294 1
1 1225 . 12 1 1 A 101 101 GLN HA H 101 4.378 4.447 -0.069 1
1 1226 . 12 1 1 A 101 101 GLN CB C 101 28.879 28.640 0.239 1
1 1235 . 12 1 1 A 101 101 GLN C C 101 175.604 175.094 0.510 1
1 1236 . 12 1 1 A 102 102 CYS N N 102 114.274 117.640 -3.366 1
1 1237 . 12 1 1 A 102 102 CYS H H 102 8.300 8.047 0.253 1
1 1238 . 12 1 1 A 102 102 CYS CA C 102 58.700 60.112 -1.412 1
1 1239 . 12 1 1 A 102 102 CYS HA H 102 4.030 4.108 -0.078 1
1 1240 . 12 1 1 A 102 102 CYS CB C 102 24.987 26.120 -1.133 1
1 1243 . 12 1 1 A 102 102 CYS C C 102 174.186 173.711 0.475 1
1 1244 . 12 1 1 A 103 103 ALA N N 103 123.512 122.475 1.037 1
1 1245 . 12 1 1 A 103 103 ALA H H 103 8.175 7.391 0.784 1
1 1246 . 12 1 1 A 103 103 ALA CA C 103 50.841 49.994 0.847 1
1 1247 . 12 1 1 A 103 103 ALA HA H 103 4.458 4.461 -0.003 1
1 1248 . 12 1 1 A 103 103 ALA CB C 103 18.353 19.513 -1.160 1
1 1252 . 12 1 1 A 103 103 ALA C C 103 175.904 176.277 -0.373 1
1 1253 . 12 1 1 A 104 104 PRO CA C 104 64.290 63.867 0.423 1
1 1254 . 12 1 1 A 104 104 PRO HA H 104 4.315 4.312 0.003 1
1 1255 . 12 1 1 A 104 104 PRO CB C 104 32.028 31.368 0.660 1
1 1264 . 12 1 1 A 104 104 PRO C C 104 178.173 177.504 0.669 1
1 1265 . 12 1 1 A 105 105 GLY N N 105 113.466 112.418 1.048 1
1 1266 . 12 1 1 A 105 105 GLY H H 105 9.036 8.857 0.179 1
1 1267 . 12 1 1 A 105 105 GLY CA C 105 45.935 45.629 0.306 1
1 1268 . 12 1 1 A 105 105 GLY HA2 H 105 4.044 3.953 0.091 1
1 1269 . 12 1 1 A 105 105 GLY HA3 H 105 3.832 3.982 -0.150 1
1 1270 . 12 1 1 A 105 105 GLY C C 105 174.928 175.997 -1.069 1
1 1271 . 12 1 1 A 106 106 VAL N N 106 117.991 120.495 -2.504 1
1 1272 . 12 1 1 A 106 106 VAL H H 106 6.964 8.169 -1.205 1
1 1273 . 12 1 1 A 106 106 VAL CA C 106 66.071 66.204 -0.133 1
1 1274 . 12 1 1 A 106 106 VAL HA H 106 3.842 3.614 0.228 1
1 1275 . 12 1 1 A 106 106 VAL CB C 106 31.337 31.549 -0.212 1
1 1285 . 12 1 1 A 106 106 VAL C C 106 178.061 177.625 0.436 1
1 1286 . 12 1 1 A 107 107 VAL N N 107 121.474 120.289 1.185 1
1 1287 . 12 1 1 A 107 107 VAL H H 107 9.039 8.109 0.930 1
1 1288 . 12 1 1 A 107 107 VAL CA C 107 65.971 65.460 0.511 1
1 1289 . 12 1 1 A 107 107 VAL HA H 107 3.743 3.671 0.072 1
1 1290 . 12 1 1 A 107 107 VAL CB C 107 30.959 31.297 -0.338 1
1 1300 . 12 1 1 A 107 107 VAL C C 107 177.629 177.562 0.067 1
1 1301 . 12 1 1 A 108 108 GLU N N 108 126.242 121.898 4.344 1
1 1302 . 12 1 1 A 108 108 GLU H H 108 11.107 8.015 3.092 1
1 1303 . 12 1 1 A 108 108 GLU CA C 108 62.429 59.379 3.050 1
1 1304 . 12 1 1 A 108 108 GLU HA H 108 3.584 4.054 -0.470 1
1 1305 . 12 1 1 A 108 108 GLU CB C 108 28.863 29.565 -0.702 1
1 1311 . 12 1 1 A 108 108 GLU C C 108 176.878 179.864 -2.986 1
1 1312 . 12 1 1 A 109 109 LEU N N 109 114.111 119.938 -5.827 1
1 1313 . 12 1 1 A 109 109 LEU H H 109 7.474 8.378 -0.904 1
1 1314 . 12 1 1 A 109 109 LEU CA C 109 56.293 57.740 -1.447 1
1 1315 . 12 1 1 A 109 109 LEU HA H 109 4.024 4.100 -0.076 1
1 1316 . 12 1 1 A 109 109 LEU CB C 109 40.846 41.746 -0.900 1
1 1329 . 12 1 1 A 109 109 LEU C C 109 178.647 178.475 0.172 1
1 1330 . 12 1 1 A 110 110 VAL N N 110 116.984 117.919 -0.935 1
1 1331 . 12 1 1 A 110 110 VAL H H 110 7.557 7.429 0.128 1
1 1332 . 12 1 1 A 110 110 VAL CA C 110 64.274 64.247 0.027 1
1 1333 . 12 1 1 A 110 110 VAL HA H 110 4.206 4.144 0.062 1
1 1334 . 12 1 1 A 110 110 VAL CB C 110 33.070 32.598 0.472 1
1 1344 . 12 1 1 A 110 110 VAL C C 110 176.435 177.526 -1.091 1
1 1345 . 12 1 1 A 111 111 LEU N N 111 118.461 120.473 -2.012 1
1 1346 . 12 1 1 A 111 111 LEU H H 111 8.453 7.670 0.783 1
1 1347 . 12 1 1 A 111 111 LEU CA C 111 58.047 57.719 0.328 1
1 1348 . 12 1 1 A 111 111 LEU HA H 111 4.003 4.131 -0.128 1
1 1349 . 12 1 1 A 111 111 LEU CB C 111 43.552 41.287 2.265 1
1 1362 . 12 1 1 A 111 111 LEU C C 111 177.274 179.296 -2.022 1
1 1363 . 12 1 1 A 112 112 ILE N N 112 115.835 119.903 -4.068 1
1 1364 . 12 1 1 A 112 112 ILE H H 112 7.850 8.286 -0.436 1
1 1365 . 12 1 1 A 112 112 ILE CA C 112 67.843 66.455 1.388 1
1 1366 . 12 1 1 A 112 112 ILE HA H 112 3.636 3.723 -0.087 1
1 1367 . 12 1 1 A 112 112 ILE CB C 112 36.504 35.841 0.663 1
1 1380 . 12 1 1 A 112 112 ILE C C 112 176.487 175.298 1.189 1
1 1381 . 12 1 1 A 113 113 PRO CA C 113 64.872 65.600 -0.728 1
1 1382 . 12 1 1 A 113 113 PRO HA H 113 4.420 4.380 0.040 1
1 1383 . 12 1 1 A 113 113 PRO CB C 113 30.348 30.818 -0.470 1
1 1392 . 12 1 1 A 113 113 PRO C C 113 179.001 179.038 -0.037 1
1 1393 . 12 1 1 A 114 114 LEU N N 114 120.690 117.875 2.815 1
1 1394 . 12 1 1 A 114 114 LEU H H 114 7.672 7.638 0.034 1
1 1395 . 12 1 1 A 114 114 LEU CA C 114 58.337 57.713 0.624 1
1 1396 . 12 1 1 A 114 114 LEU HA H 114 3.490 3.973 -0.483 1
1 1397 . 12 1 1 A 114 114 LEU CB C 114 41.840 41.481 0.359 1
1 1410 . 12 1 1 A 114 114 LEU C C 114 177.486 178.294 -0.808 1
1 1411 . 12 1 1 A 115 115 ARG N N 115 119.039 119.224 -0.185 1
1 1412 . 12 1 1 A 115 115 ARG H H 115 8.159 8.152 0.007 1
1 1413 . 12 1 1 A 115 115 ARG CA C 115 60.199 59.425 0.774 1
1 1414 . 12 1 1 A 115 115 ARG HA H 115 3.215 3.394 -0.179 1
1 1415 . 12 1 1 A 115 115 ARG CB C 115 28.049 29.228 -1.179 1
1 1426 . 12 1 1 A 115 115 ARG C C 115 177.460 178.302 -0.842 1
1 1427 . 12 1 1 A 116 116 GLN N N 116 115.221 117.926 -2.705 1
1 1428 . 12 1 1 A 116 116 GLN H H 116 6.825 7.714 -0.889 1
1 1429 . 12 1 1 A 116 116 GLN CA C 116 58.838 59.138 -0.300 1
1 1430 . 12 1 1 A 116 116 GLN HA H 116 3.830 3.875 -0.045 1
1 1431 . 12 1 1 A 116 116 GLN CB C 116 27.871 28.397 -0.526 1
1 1440 . 12 1 1 A 116 116 GLN C C 116 178.648 179.010 -0.362 1
1 1441 . 12 1 1 A 117 117 ARG N N 117 118.476 120.062 -1.586 1
1 1442 . 12 1 1 A 117 117 ARG H H 117 8.028 7.743 0.285 1
1 1443 . 12 1 1 A 117 117 ARG CA C 117 57.607 59.041 -1.434 1
1 1444 . 12 1 1 A 117 117 ARG HA H 117 4.117 4.024 0.093 1
1 1445 . 12 1 1 A 117 117 ARG CB C 117 30.040 30.038 0.002 1
1 1454 . 12 1 1 A 117 117 ARG C C 117 179.370 178.679 0.691 1
1 1455 . 12 1 1 A 118 118 LEU N N 118 120.407 120.349 0.058 1
1 1456 . 12 1 1 A 118 118 LEU H H 118 8.533 7.879 0.654 1
1 1457 . 12 1 1 A 118 118 LEU CA C 118 58.295 57.816 0.479 1
1 1458 . 12 1 1 A 118 118 LEU HA H 118 3.950 4.028 -0.078 1
1 1459 . 12 1 1 A 118 118 LEU CB C 118 40.472 41.370 -0.898 1
1 1472 . 12 1 1 A 118 118 LEU C C 118 178.577 179.005 -0.428 1
1 1473 . 12 1 1 A 119 119 GLU N N 119 116.858 117.129 -0.271 1
1 1474 . 12 1 1 A 119 119 GLU H H 119 8.220 8.033 0.187 1
1 1475 . 12 1 1 A 119 119 GLU CA C 119 59.441 60.022 -0.581 1
1 1476 . 12 1 1 A 119 119 GLU HA H 119 4.047 4.127 -0.080 1
1 1477 . 12 1 1 A 119 119 GLU CB C 119 29.271 29.291 -0.020 1
1 1483 . 12 1 1 A 119 119 GLU C C 119 179.631 179.302 0.329 1
1 1484 . 12 1 1 A 120 120 GLU N N 120 119.797 119.831 -0.034 1
1 1485 . 12 1 1 A 120 120 GLU H H 120 8.199 8.862 -0.663 1
1 1486 . 12 1 1 A 120 120 GLU CA C 120 59.223 59.589 -0.366 1
1 1487 . 12 1 1 A 120 120 GLU HA H 120 4.062 4.114 -0.052 1
1 1488 . 12 1 1 A 120 120 GLU CB C 120 29.562 29.162 0.400 1
1 1494 . 12 1 1 A 120 120 GLU C C 120 178.823 179.381 -0.558 1
1 1495 . 12 1 1 A 121 121 ARG N N 121 118.760 119.049 -0.289 1
1 1496 . 12 1 1 A 121 121 ARG H H 121 7.928 8.005 -0.077 1
1 1497 . 12 1 1 A 121 121 ARG CA C 121 58.065 59.475 -1.410 1
1 1498 . 12 1 1 A 121 121 ARG HA H 121 4.136 4.213 -0.077 1
1 1499 . 12 1 1 A 121 121 ARG CB C 121 29.478 29.957 -0.479 1
1 1508 . 12 1 1 A 121 121 ARG C C 121 178.426 179.112 -0.686 1
1 1509 . 12 1 1 A 122 122 GLN N N 122 119.430 119.373 0.057 1
1 1510 . 12 1 1 A 122 122 GLN H H 122 8.323 8.512 -0.189 1
1 1511 . 12 1 1 A 122 122 GLN CA C 122 58.489 59.034 -0.545 1
1 1512 . 12 1 1 A 122 122 GLN HA H 122 4.352 4.198 0.154 1
1 1513 . 12 1 1 A 122 122 GLN CB C 122 29.611 29.105 0.506 1
1 1522 . 12 1 1 A 122 122 GLN C C 122 177.291 175.899 1.392 1
1 1523 . 12 1 1 A 123 123 ARG N N 123 118.341 116.739 1.602 1
1 1524 . 12 1 1 A 123 123 ARG H H 123 7.920 7.676 0.244 1
1 1525 . 12 1 1 A 123 123 ARG CA C 123 57.695 56.029 1.666 1
1 1526 . 12 1 1 A 123 123 ARG HA H 123 4.266 4.433 -0.167 1
1 1527 . 12 1 1 A 123 123 ARG CB C 123 30.671 31.307 -0.636 1
1 1536 . 12 1 1 A 123 123 ARG C C 123 177.214 175.732 1.482 1
1 1537 . 12 1 1 A 124 124 ARG N N 124 119.452 117.803 1.649 1
1 1538 . 12 1 1 A 124 124 ARG H H 124 7.850 8.946 -1.096 1
1 1539 . 12 1 1 A 124 124 ARG CA C 124 56.814 54.979 1.835 1
1 1540 . 12 1 1 A 124 124 ARG HA H 124 4.300 5.081 -0.781 1
1 1541 . 12 1 1 A 124 124 ARG CB C 124 30.672 34.003 -3.331 1
1 1550 . 12 1 1 A 124 124 ARG C C 124 176.540 174.017 2.523 1
1 1551 . 12 1 1 A 125 125 ARG N N 125 120.963 125.609 -4.646 1
1 1552 . 12 1 1 A 125 125 ARG H H 125 8.081 8.749 -0.668 1
1 1553 . 12 1 1 A 125 125 ARG CA C 125 56.514 56.334 0.180 1
1 1554 . 12 1 1 A 125 125 ARG HA H 125 4.355 4.502 -0.147 1
1 1555 . 12 1 1 A 125 125 ARG CB C 125 30.694 31.328 -0.634 1
1 1564 . 12 1 1 A 125 125 ARG C C 125 176.133 175.795 0.338 1
1 1565 . 12 1 1 A 126 126 LYS N N 126 122.811 126.029 -3.218 1
1 1566 . 12 1 1 A 126 126 LYS H H 126 8.252 8.738 -0.486 1
1 1567 . 12 1 1 A 126 126 LYS CA C 126 56.430 55.263 1.167 1
1 1568 . 12 1 1 A 126 126 LYS HA H 126 4.351 4.621 -0.270 1
1 1569 . 12 1 1 A 126 126 LYS CB C 126 33.017 33.319 -0.302 1
1 1581 . 12 1 1 A 126 126 LYS C C 126 175.649 175.785 -0.136 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.715 56.324 2.391 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.472 5.338 -0.866 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.934 65.736 -1.802 1
1 6 . 13 1 1 A 6 6 SER C C 6 174.927 174.192 0.735 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.435 108.691 1.744 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.348 8.361 -0.013 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.364 44.892 0.472 1
1 10 . 13 1 1 A 7 7 GLY HA2 H 7 3.919 4.057 -0.138 1
1 11 . 13 1 1 A 7 7 GLY HA3 H 7 3.919 4.057 -0.138 1
1 12 . 13 1 1 A 7 7 GLY C C 7 173.952 173.160 0.792 1
1 13 . 13 1 1 A 8 8 MET N N 8 119.481 123.180 -3.699 1
1 14 . 13 1 1 A 8 8 MET H H 8 8.163 8.114 0.049 1
1 15 . 13 1 1 A 8 8 MET CA C 8 55.472 56.146 -0.674 1
1 16 . 13 1 1 A 8 8 MET HA H 8 4.486 4.427 0.059 1
1 17 . 13 1 1 A 8 8 MET CB C 8 33.598 32.872 0.726 1
1 27 . 13 1 1 A 8 8 MET C C 8 176.019 175.666 0.353 1
1 28 . 13 1 1 A 9 9 ALA N N 9 125.433 129.641 -4.208 1
1 29 . 13 1 1 A 9 9 ALA H H 9 8.436 8.763 -0.327 1
1 30 . 13 1 1 A 9 9 ALA CA C 9 52.481 50.424 2.057 1
1 31 . 13 1 1 A 9 9 ALA HA H 9 4.381 5.100 -0.719 1
1 32 . 13 1 1 A 9 9 ALA CB C 9 19.322 23.443 -4.121 1
1 36 . 13 1 1 A 9 9 ALA C C 9 177.349 176.362 0.987 1
1 37 . 13 1 1 A 10 10 SER N N 10 114.383 115.115 -0.732 1
1 38 . 13 1 1 A 10 10 SER H H 10 8.372 8.653 -0.281 1
1 39 . 13 1 1 A 10 10 SER CA C 10 58.607 57.379 1.228 1
1 40 . 13 1 1 A 10 10 SER HA H 10 4.470 4.929 -0.459 1
1 41 . 13 1 1 A 10 10 SER CB C 10 63.979 65.801 -1.822 1
1 44 . 13 1 1 A 10 10 SER C C 10 174.323 174.310 0.013 1
1 45 . 13 1 1 A 11 11 SER N N 11 116.549 114.080 2.469 1
1 46 . 13 1 1 A 11 11 SER H H 11 8.111 8.608 -0.497 1
1 47 . 13 1 1 A 11 11 SER CA C 11 58.189 56.059 2.130 1
1 48 . 13 1 1 A 11 11 SER HA H 11 4.487 5.010 -0.523 1
1 49 . 13 1 1 A 11 11 SER CB C 11 64.081 65.964 -1.883 1
1 52 . 13 1 1 A 11 11 SER C C 11 173.692 173.828 -0.136 1
1 53 . 13 1 1 A 12 12 VAL N N 12 120.502 117.354 3.148 1
1 54 . 13 1 1 A 12 12 VAL H H 12 8.207 8.446 -0.239 1
1 55 . 13 1 1 A 12 12 VAL CA C 12 61.847 63.147 -1.300 1
1 56 . 13 1 1 A 12 12 VAL HA H 12 4.150 3.668 0.482 1
1 57 . 13 1 1 A 12 12 VAL CB C 12 33.269 29.914 3.355 1
1 67 . 13 1 1 A 12 12 VAL C C 12 174.930 174.909 0.021 1
1 68 . 13 1 1 A 13 13 ASP N N 13 124.104 120.551 3.553 1
1 69 . 13 1 1 A 13 13 ASP H H 13 7.953 7.937 0.016 1
1 70 . 13 1 1 A 13 13 ASP CA C 13 53.249 54.222 -0.973 1
1 71 . 13 1 1 A 13 13 ASP HA H 13 4.661 4.639 0.022 1
1 72 . 13 1 1 A 13 13 ASP CB C 13 41.891 42.122 -0.231 1
1 75 . 13 1 1 A 13 13 ASP C C 13 176.009 177.194 -1.185 1
1 76 . 13 1 1 A 14 14 GLU N N 14 120.197 121.191 -0.994 1
1 77 . 13 1 1 A 14 14 GLU H H 14 8.568 8.887 -0.319 1
1 78 . 13 1 1 A 14 14 GLU CA C 14 59.932 59.404 0.528 1
1 79 . 13 1 1 A 14 14 GLU HA H 14 3.944 3.928 0.016 1
1 80 . 13 1 1 A 14 14 GLU CB C 14 29.670 29.265 0.405 1
1 86 . 13 1 1 A 14 14 GLU C C 14 178.863 178.820 0.043 1
1 87 . 13 1 1 A 15 15 GLU N N 15 120.713 119.858 0.855 1
1 88 . 13 1 1 A 15 15 GLU H H 15 8.312 8.445 -0.133 1
1 89 . 13 1 1 A 15 15 GLU CA C 15 59.101 59.673 -0.572 1
1 90 . 13 1 1 A 15 15 GLU HA H 15 4.244 3.982 0.262 1
1 91 . 13 1 1 A 15 15 GLU CB C 15 28.917 29.453 -0.536 1
1 97 . 13 1 1 A 15 15 GLU C C 15 178.511 178.145 0.366 1
1 98 . 13 1 1 A 16 16 ALA N N 16 123.041 121.766 1.275 1
1 99 . 13 1 1 A 16 16 ALA H H 16 8.047 7.906 0.141 1
1 100 . 13 1 1 A 16 16 ALA CA C 16 54.830 55.005 -0.175 1
1 101 . 13 1 1 A 16 16 ALA HA H 16 4.093 4.091 0.002 1
1 102 . 13 1 1 A 16 16 ALA CB C 16 18.371 18.645 -0.274 1
1 106 . 13 1 1 A 16 16 ALA C C 16 181.428 180.069 1.359 1
1 107 . 13 1 1 A 17 17 LEU N N 17 119.436 118.696 0.740 1
1 108 . 13 1 1 A 17 17 LEU H H 17 8.042 7.786 0.256 1
1 109 . 13 1 1 A 17 17 LEU CA C 17 57.623 58.010 -0.387 1
1 110 . 13 1 1 A 17 17 LEU HA H 17 3.838 3.955 -0.117 1
1 111 . 13 1 1 A 17 17 LEU CB C 17 41.323 41.671 -0.348 1
1 124 . 13 1 1 A 17 17 LEU C C 17 177.590 178.867 -1.277 1
1 125 . 13 1 1 A 18 18 HIS N N 18 118.394 117.905 0.489 1
1 126 . 13 1 1 A 18 18 HIS H H 18 8.182 7.968 0.214 1
1 127 . 13 1 1 A 18 18 HIS CA C 18 59.415 60.008 -0.593 1
1 128 . 13 1 1 A 18 18 HIS HA H 18 4.435 3.797 0.638 1
1 129 . 13 1 1 A 18 18 HIS CB C 18 29.560 29.805 -0.245 1
1 136 . 13 1 1 A 18 18 HIS C C 18 178.114 176.667 1.447 1
1 137 . 13 1 1 A 19 19 GLN N N 19 115.623 117.297 -1.674 1
1 138 . 13 1 1 A 19 19 GLN H H 19 8.178 8.577 -0.399 1
1 139 . 13 1 1 A 19 19 GLN CA C 19 58.406 59.106 -0.700 1
1 140 . 13 1 1 A 19 19 GLN HA H 19 3.904 3.914 -0.010 1
1 141 . 13 1 1 A 19 19 GLN CB C 19 28.118 28.094 0.024 1
1 150 . 13 1 1 A 19 19 GLN C C 19 179.132 178.708 0.424 1
1 151 . 13 1 1 A 20 20 LEU N N 20 122.817 121.492 1.325 1
1 152 . 13 1 1 A 20 20 LEU H H 20 7.949 8.117 -0.168 1
1 153 . 13 1 1 A 20 20 LEU CA C 20 58.278 57.819 0.459 1
1 154 . 13 1 1 A 20 20 LEU HA H 20 4.233 4.166 0.067 1
1 155 . 13 1 1 A 20 20 LEU CB C 20 40.850 41.906 -1.056 1
1 168 . 13 1 1 A 20 20 LEU C C 20 178.466 178.487 -0.021 1
1 169 . 13 1 1 A 21 21 TYR N N 21 118.825 118.939 -0.114 1
1 170 . 13 1 1 A 21 21 TYR H H 21 8.376 8.267 0.109 1
1 171 . 13 1 1 A 21 21 TYR CA C 21 60.605 61.137 -0.532 1
1 172 . 13 1 1 A 21 21 TYR HA H 21 4.286 4.393 -0.107 1
1 173 . 13 1 1 A 21 21 TYR CB C 21 36.667 37.508 -0.841 1
1 184 . 13 1 1 A 21 21 TYR C C 21 178.654 178.030 0.624 1
1 185 . 13 1 1 A 22 22 LEU N N 22 118.954 120.632 -1.678 1
1 186 . 13 1 1 A 22 22 LEU H H 22 7.869 7.692 0.177 1
1 187 . 13 1 1 A 22 22 LEU CA C 22 57.887 56.873 1.014 1
1 188 . 13 1 1 A 22 22 LEU HA H 22 4.076 4.257 -0.181 1
1 189 . 13 1 1 A 22 22 LEU CB C 22 42.250 42.266 -0.016 1
1 202 . 13 1 1 A 22 22 LEU C C 22 178.877 178.880 -0.003 1
1 203 . 13 1 1 A 23 23 TRP N N 23 120.668 120.095 0.573 1
1 204 . 13 1 1 A 23 23 TRP H H 23 7.804 7.900 -0.096 1
1 205 . 13 1 1 A 23 23 TRP CA C 23 60.711 61.215 -0.504 1
1 206 . 13 1 1 A 23 23 TRP HA H 23 4.436 4.163 0.273 1
1 207 . 13 1 1 A 23 23 TRP CB C 23 28.035 29.554 -1.519 1
1 222 . 13 1 1 A 23 23 TRP C C 23 178.471 178.241 0.230 1
1 223 . 13 1 1 A 24 24 VAL N N 24 116.831 119.262 -2.431 1
1 224 . 13 1 1 A 24 24 VAL H H 24 8.503 7.839 0.664 1
1 225 . 13 1 1 A 24 24 VAL CA C 24 66.014 66.325 -0.311 1
1 226 . 13 1 1 A 24 24 VAL HA H 24 3.084 2.963 0.121 1
1 227 . 13 1 1 A 24 24 VAL CB C 24 31.826 31.393 0.433 1
1 237 . 13 1 1 A 24 24 VAL C C 24 178.212 177.349 0.863 1
1 238 . 13 1 1 A 25 25 ASP N N 25 117.894 120.105 -2.211 1
1 239 . 13 1 1 A 25 25 ASP H H 25 8.140 8.226 -0.086 1
1 240 . 13 1 1 A 25 25 ASP CA C 25 57.043 57.448 -0.405 1
1 241 . 13 1 1 A 25 25 ASP HA H 25 4.290 4.253 0.037 1
1 242 . 13 1 1 A 25 25 ASP CB C 25 41.067 40.836 0.231 1
1 245 . 13 1 1 A 25 25 ASP C C 25 177.163 177.739 -0.576 1
1 246 . 13 1 1 A 26 26 ASN N N 26 114.914 116.835 -1.921 1
1 247 . 13 1 1 A 26 26 ASN H H 26 7.229 7.868 -0.639 1
1 248 . 13 1 1 A 26 26 ASN CA C 26 53.375 56.556 -3.181 1
1 249 . 13 1 1 A 26 26 ASN HA H 26 4.607 4.341 0.266 1
1 250 . 13 1 1 A 26 26 ASN CB C 26 40.048 38.641 1.407 1
1 256 . 13 1 1 A 26 26 ASN C C 26 174.227 175.859 -1.632 1
1 257 . 13 1 1 A 27 27 ILE N N 27 123.268 119.232 4.036 1
1 258 . 13 1 1 A 27 27 ILE H H 27 7.212 7.315 -0.103 1
1 259 . 13 1 1 A 27 27 ILE CA C 27 58.327 59.962 -1.635 1
1 260 . 13 1 1 A 27 27 ILE HA H 27 3.628 3.924 -0.296 1
1 261 . 13 1 1 A 27 27 ILE CB C 27 39.403 37.985 1.418 1
1 274 . 13 1 1 A 27 27 ILE C C 27 173.764 174.641 -0.877 1
1 275 . 13 1 1 A 28 28 PRO CA C 28 62.584 62.487 0.097 1
1 276 . 13 1 1 A 28 28 PRO HA H 28 4.354 4.693 -0.339 1
1 277 . 13 1 1 A 28 28 PRO CB C 28 30.056 31.139 -1.083 1
1 286 . 13 1 1 A 28 28 PRO C C 28 175.419 175.815 -0.396 1
1 287 . 13 1 1 A 29 29 LEU N N 29 125.355 125.253 0.102 1
1 288 . 13 1 1 A 29 29 LEU H H 29 8.118 8.530 -0.412 1
1 289 . 13 1 1 A 29 29 LEU CA C 29 53.358 53.971 -0.613 1
1 290 . 13 1 1 A 29 29 LEU HA H 29 4.748 4.530 0.218 1
1 291 . 13 1 1 A 29 29 LEU CB C 29 45.279 42.239 3.040 1
1 304 . 13 1 1 A 29 29 LEU C C 29 178.577 176.285 2.292 1
1 305 . 13 1 1 A 31 31 ARG CA C 31 53.250 53.023 0.227 1
1 306 . 13 1 1 A 31 31 ARG HA H 31 4.787 4.654 0.133 1
1 307 . 13 1 1 A 31 31 ARG CB C 31 32.107 33.333 -1.226 1
1 316 . 13 1 1 A 32 32 PRO CA C 32 62.865 62.249 0.616 1
1 317 . 13 1 1 A 32 32 PRO HA H 32 4.300 4.585 -0.285 1
1 318 . 13 1 1 A 32 32 PRO CB C 32 32.193 33.168 -0.975 1
1 327 . 13 1 1 A 33 33 LYS CA C 33 56.154 56.001 0.153 1
1 328 . 13 1 1 A 33 33 LYS HA H 33 4.361 4.454 -0.093 1
1 329 . 13 1 1 A 33 33 LYS CB C 33 32.368 32.075 0.293 1
1 341 . 13 1 1 A 34 34 ARG N N 34 122.768 124.244 -1.476 1
1 342 . 13 1 1 A 34 34 ARG H H 34 8.410 8.341 0.069 1
1 343 . 13 1 1 A 34 34 ARG HA H 34 4.336 4.655 -0.319 1
1 344 . 13 1 1 A 34 34 ARG CB C 34 31.894 34.321 -2.427 1
1 349 . 13 1 1 A 35 35 ASN CA C 35 53.153 53.993 -0.840 1
1 350 . 13 1 1 A 35 35 ASN HA H 35 4.771 4.769 0.002 1
1 351 . 13 1 1 A 35 35 ASN CB C 35 39.425 38.965 0.460 1
1 357 . 13 1 1 A 36 36 LEU N N 36 110.943 126.617 -15.674 1
1 358 . 13 1 1 A 36 36 LEU H H 36 8.305 8.742 -0.437 1
1 359 . 13 1 1 A 36 36 LEU CA C 36 60.191 57.319 2.872 1
1 360 . 13 1 1 A 36 36 LEU HA H 36 4.140 4.266 -0.126 1
1 361 . 13 1 1 A 36 36 LEU CB C 36 41.876 42.541 -0.665 1
1 374 . 13 1 1 A 37 37 SER CA C 37 61.673 61.177 0.496 1
1 375 . 13 1 1 A 37 37 SER HA H 37 4.080 4.246 -0.166 1
1 376 . 13 1 1 A 37 37 SER CB C 37 62.700 63.375 -0.675 1
1 379 . 13 1 1 A 38 38 ARG N N 38 119.288 121.805 -2.517 1
1 380 . 13 1 1 A 38 38 ARG H H 38 7.773 7.929 -0.156 1
1 381 . 13 1 1 A 38 38 ARG HA H 38 4.587 4.168 0.419 1
1 384 . 13 1 1 A 39 39 ASP N N 39 121.607 119.851 1.756 1
1 385 . 13 1 1 A 39 39 ASP H H 39 9.487 8.317 1.170 1
1 386 . 13 1 1 A 39 39 ASP CA C 39 58.026 57.323 0.703 1
1 387 . 13 1 1 A 39 39 ASP HA H 39 4.518 4.330 0.188 1
1 388 . 13 1 1 A 39 39 ASP CB C 39 40.039 40.306 -0.267 1
1 391 . 13 1 1 A 40 40 PHE N N 40 115.310 119.687 -4.377 1
1 392 . 13 1 1 A 40 40 PHE H H 40 8.300 7.953 0.347 1
1 393 . 13 1 1 A 40 40 PHE CA C 40 59.420 60.934 -1.514 1
1 394 . 13 1 1 A 40 40 PHE HA H 40 4.605 4.217 0.388 1
1 395 . 13 1 1 A 40 40 PHE CB C 40 39.030 38.729 0.301 1
1 408 . 13 1 1 A 41 41 SER N N 41 115.417 115.059 0.358 1
1 409 . 13 1 1 A 41 41 SER H H 41 7.441 8.375 -0.934 1
1 410 . 13 1 1 A 41 41 SER CA C 41 62.290 61.411 0.879 1
1 411 . 13 1 1 A 41 41 SER HA H 41 4.341 4.310 0.031 1
1 412 . 13 1 1 A 41 41 SER CB C 41 64.510 63.228 1.282 1
1 415 . 13 1 1 A 42 42 ASP N N 42 117.563 121.050 -3.487 1
1 416 . 13 1 1 A 42 42 ASP H H 42 8.726 8.005 0.721 1
1 417 . 13 1 1 A 42 42 ASP CA C 42 53.746 54.209 -0.463 1
1 418 . 13 1 1 A 42 42 ASP HA H 42 4.780 4.991 -0.211 1
1 419 . 13 1 1 A 42 42 ASP CB C 42 42.695 42.106 0.589 1
1 422 . 13 1 1 A 42 42 ASP C C 42 176.013 177.323 -1.310 1
1 423 . 13 1 1 A 43 43 GLY N N 43 106.643 112.398 -5.755 1
1 424 . 13 1 1 A 43 43 GLY H H 43 7.388 8.729 -1.341 1
1 425 . 13 1 1 A 43 43 GLY CA C 43 45.230 46.095 -0.865 1
1 426 . 13 1 1 A 43 43 GLY HA2 H 43 3.131 2.712 0.419 1
1 427 . 13 1 1 A 43 43 GLY HA3 H 43 2.588 3.120 -0.532 1
1 428 . 13 1 1 A 43 43 GLY C C 43 173.476 173.657 -0.181 1
1 429 . 13 1 1 A 44 44 VAL N N 44 121.300 116.417 4.883 1
1 430 . 13 1 1 A 44 44 VAL H H 44 7.874 7.603 0.271 1
1 431 . 13 1 1 A 44 44 VAL CA C 44 67.198 63.979 3.219 1
1 432 . 13 1 1 A 44 44 VAL HA H 44 3.018 3.882 -0.864 1
1 433 . 13 1 1 A 44 44 VAL CB C 44 31.139 33.301 -2.162 1
1 443 . 13 1 1 A 44 44 VAL C C 44 177.853 176.878 0.975 1
1 444 . 13 1 1 A 45 45 LEU N N 45 114.495 120.967 -6.472 1
1 445 . 13 1 1 A 45 45 LEU H H 45 8.945 7.898 1.047 1
1 446 . 13 1 1 A 45 45 LEU CA C 45 57.466 57.481 -0.015 1
1 447 . 13 1 1 A 45 45 LEU HA H 45 3.838 3.976 -0.138 1
1 448 . 13 1 1 A 45 45 LEU CB C 45 40.503 41.625 -1.122 1
1 461 . 13 1 1 A 45 45 LEU C C 45 179.257 178.497 0.760 1
1 462 . 13 1 1 A 46 46 VAL N N 46 118.354 118.965 -0.611 1
1 463 . 13 1 1 A 46 46 VAL H H 46 7.422 7.643 -0.221 1
1 464 . 13 1 1 A 46 46 VAL CA C 46 67.288 66.120 1.168 1
1 465 . 13 1 1 A 46 46 VAL HA H 46 3.469 3.483 -0.014 1
1 466 . 13 1 1 A 46 46 VAL CB C 46 30.173 31.451 -1.278 1
1 476 . 13 1 1 A 46 46 VAL C C 46 176.954 178.169 -1.215 1
1 477 . 13 1 1 A 47 47 ALA N N 47 121.963 122.057 -0.094 1
1 478 . 13 1 1 A 47 47 ALA H H 47 7.272 8.250 -0.978 1
1 479 . 13 1 1 A 47 47 ALA CA C 47 55.991 55.701 0.290 1
1 480 . 13 1 1 A 47 47 ALA HA H 47 3.576 3.881 -0.305 1
1 481 . 13 1 1 A 47 47 ALA CB C 47 17.292 17.999 -0.707 1
1 485 . 13 1 1 A 47 47 ALA C C 47 178.880 180.216 -1.336 1
1 486 . 13 1 1 A 48 48 GLU N N 48 116.763 118.705 -1.942 1
1 487 . 13 1 1 A 48 48 GLU H H 48 8.081 8.133 -0.052 1
1 488 . 13 1 1 A 48 48 GLU CA C 48 60.605 59.471 1.134 1
1 489 . 13 1 1 A 48 48 GLU HA H 48 3.851 3.971 -0.120 1
1 490 . 13 1 1 A 48 48 GLU CB C 48 30.467 29.318 1.149 1
1 496 . 13 1 1 A 48 48 GLU C C 48 180.175 179.362 0.813 1
1 497 . 13 1 1 A 49 49 VAL N N 49 122.024 119.875 2.149 1
1 498 . 13 1 1 A 49 49 VAL H H 49 8.325 7.451 0.874 1
1 499 . 13 1 1 A 49 49 VAL CA C 49 67.146 65.566 1.580 1
1 500 . 13 1 1 A 49 49 VAL HA H 49 3.530 3.641 -0.111 1
1 501 . 13 1 1 A 49 49 VAL CB C 49 31.543 31.878 -0.335 1
1 511 . 13 1 1 A 49 49 VAL C C 49 177.168 178.611 -1.443 1
1 512 . 13 1 1 A 50 50 ILE N N 50 117.821 121.548 -3.727 1
1 513 . 13 1 1 A 50 50 ILE H H 50 7.947 8.271 -0.324 1
1 514 . 13 1 1 A 50 50 ILE CA C 50 66.217 64.823 1.394 1
1 515 . 13 1 1 A 50 50 ILE HA H 50 3.757 3.965 -0.208 1
1 516 . 13 1 1 A 50 50 ILE CB C 50 37.952 37.194 0.758 1
1 529 . 13 1 1 A 50 50 ILE C C 50 177.890 178.043 -0.153 1
1 530 . 13 1 1 A 51 51 LYS N N 51 121.589 120.994 0.595 1
1 531 . 13 1 1 A 51 51 LYS H H 51 8.790 7.967 0.823 1
1 532 . 13 1 1 A 51 51 LYS CA C 51 58.277 59.662 -1.385 1
1 533 . 13 1 1 A 51 51 LYS HA H 51 3.816 4.010 -0.194 1
1 534 . 13 1 1 A 51 51 LYS CB C 51 32.898 32.389 0.509 1
1 546 . 13 1 1 A 51 51 LYS C C 51 176.668 178.495 -1.827 1
1 547 . 13 1 1 A 52 52 PHE N N 52 117.622 120.373 -2.751 1
1 548 . 13 1 1 A 52 52 PHE H H 52 7.768 8.115 -0.347 1
1 549 . 13 1 1 A 52 52 PHE CA C 52 60.585 61.208 -0.623 1
1 550 . 13 1 1 A 52 52 PHE HA H 52 4.090 3.957 0.133 1
1 551 . 13 1 1 A 52 52 PHE CB C 52 38.775 38.760 0.015 1
1 564 . 13 1 1 A 52 52 PHE C C 52 176.831 176.879 -0.048 1
1 565 . 13 1 1 A 53 53 TYR N N 53 115.876 116.603 -0.727 1
1 566 . 13 1 1 A 53 53 TYR H H 53 7.346 7.904 -0.558 1
1 567 . 13 1 1 A 53 53 TYR CA C 53 61.264 59.919 1.345 1
1 568 . 13 1 1 A 53 53 TYR HA H 53 3.697 4.173 -0.476 1
1 569 . 13 1 1 A 53 53 TYR CB C 53 41.522 38.914 2.608 1
1 580 . 13 1 1 A 53 53 TYR C C 53 175.972 174.632 1.340 1
1 581 . 13 1 1 A 54 54 PHE N N 54 116.478 116.100 0.378 1
1 582 . 13 1 1 A 54 54 PHE H H 54 8.877 8.257 0.620 1
1 583 . 13 1 1 A 54 54 PHE CA C 54 55.553 55.269 0.284 1
1 584 . 13 1 1 A 54 54 PHE HA H 54 5.173 5.010 0.163 1
1 585 . 13 1 1 A 54 54 PHE CB C 54 40.841 40.847 -0.006 1
1 598 . 13 1 1 A 54 54 PHE C C 54 173.424 174.876 -1.452 1
1 599 . 13 1 1 A 55 55 PRO CA C 55 65.147 65.720 -0.573 1
1 600 . 13 1 1 A 55 55 PRO HA H 55 4.591 4.357 0.234 1
1 601 . 13 1 1 A 55 55 PRO CB C 55 32.014 31.955 0.059 1
1 610 . 13 1 1 A 55 55 PRO C C 55 179.255 179.182 0.073 1
1 611 . 13 1 1 A 56 56 LYS N N 56 113.672 118.761 -5.089 1
1 612 . 13 1 1 A 56 56 LYS H H 56 8.639 8.320 0.319 1
1 613 . 13 1 1 A 56 56 LYS CA C 56 56.918 59.612 -2.694 1
1 614 . 13 1 1 A 56 56 LYS HA H 56 4.384 4.025 0.359 1
1 615 . 13 1 1 A 56 56 LYS CB C 56 31.868 32.204 -0.336 1
1 627 . 13 1 1 A 56 56 LYS C C 56 178.220 179.308 -1.088 1
1 628 . 13 1 1 A 57 57 MET N N 57 116.692 118.407 -1.715 1
1 629 . 13 1 1 A 57 57 MET H H 57 8.099 8.402 -0.303 1
1 630 . 13 1 1 A 57 57 MET CA C 57 57.537 58.915 -1.378 1
1 631 . 13 1 1 A 57 57 MET HA H 57 4.260 4.099 0.161 1
1 632 . 13 1 1 A 57 57 MET CB C 57 35.400 32.284 3.116 1
1 642 . 13 1 1 A 57 57 MET C C 57 174.856 178.726 -3.870 1
1 643 . 13 1 1 A 58 58 VAL N N 58 114.727 119.830 -5.103 1
1 644 . 13 1 1 A 58 58 VAL H H 58 6.872 7.626 -0.754 1
1 645 . 13 1 1 A 58 58 VAL CA C 58 60.834 66.464 -5.630 1
1 646 . 13 1 1 A 58 58 VAL HA H 58 4.421 3.606 0.815 1
1 647 . 13 1 1 A 58 58 VAL CB C 58 36.223 31.553 4.670 1
1 657 . 13 1 1 A 58 58 VAL C C 58 173.747 176.228 -2.481 1
1 658 . 13 1 1 A 59 59 GLU N N 59 127.314 121.323 5.991 1
1 659 . 13 1 1 A 59 59 GLU H H 59 8.783 7.639 1.144 1
1 660 . 13 1 1 A 59 59 GLU CA C 59 54.465 57.245 -2.780 1
1 661 . 13 1 1 A 59 59 GLU HA H 59 4.671 4.042 0.629 1
1 662 . 13 1 1 A 59 59 GLU CB C 59 30.020 28.150 1.870 1
1 668 . 13 1 1 A 59 59 GLU C C 59 176.450 176.132 0.318 1
1 669 . 13 1 1 A 60 60 MET N N 60 122.273 118.452 3.821 1
1 670 . 13 1 1 A 60 60 MET H H 60 9.004 8.208 0.796 1
1 671 . 13 1 1 A 60 60 MET CA C 60 55.751 54.977 0.774 1
1 672 . 13 1 1 A 60 60 MET HA H 60 4.613 4.975 -0.362 1
1 673 . 13 1 1 A 60 60 MET CB C 60 29.356 31.249 -1.893 1
1 683 . 13 1 1 A 60 60 MET C C 60 178.387 176.382 2.005 1
1 684 . 13 1 1 A 61 61 HIS N N 61 115.823 119.192 -3.369 1
1 685 . 13 1 1 A 61 61 HIS H H 61 8.198 8.494 -0.296 1
1 686 . 13 1 1 A 61 61 HIS CA C 61 57.963 57.029 0.934 1
1 687 . 13 1 1 A 61 61 HIS HA H 61 4.341 4.534 -0.193 1
1 688 . 13 1 1 A 61 61 HIS CB C 61 29.235 30.906 -1.671 1
1 695 . 13 1 1 A 61 61 HIS C C 61 175.800 176.398 -0.598 1
1 696 . 13 1 1 A 62 62 ASN N N 62 115.093 117.105 -2.012 1
1 697 . 13 1 1 A 62 62 ASN H H 62 6.895 7.696 -0.801 1
1 698 . 13 1 1 A 62 62 ASN CA C 62 54.503 53.837 0.666 1
1 699 . 13 1 1 A 62 62 ASN HA H 62 3.872 4.606 -0.734 1
1 700 . 13 1 1 A 62 62 ASN CB C 62 38.749 41.201 -2.452 1
1 706 . 13 1 1 A 62 62 ASN C C 62 173.014 174.809 -1.795 1
1 707 . 13 1 1 A 63 63 TYR N N 63 118.560 118.750 -0.190 1
1 708 . 13 1 1 A 63 63 TYR H H 63 7.255 7.602 -0.347 1
1 709 . 13 1 1 A 63 63 TYR CA C 63 56.311 58.510 -2.199 1
1 710 . 13 1 1 A 63 63 TYR HA H 63 4.481 4.722 -0.241 1
1 711 . 13 1 1 A 63 63 TYR CB C 63 39.138 39.953 -0.815 1
1 722 . 13 1 1 A 63 63 TYR C C 63 173.223 175.830 -2.607 1
1 723 . 13 1 1 A 64 64 VAL N N 64 122.318 120.970 1.348 1
1 724 . 13 1 1 A 64 64 VAL H H 64 7.750 8.595 -0.845 1
1 725 . 13 1 1 A 64 64 VAL CA C 64 58.601 59.012 -0.411 1
1 726 . 13 1 1 A 64 64 VAL HA H 64 4.469 4.668 -0.199 1
1 727 . 13 1 1 A 64 64 VAL CB C 64 33.747 35.764 -2.017 1
1 737 . 13 1 1 A 64 64 VAL C C 64 173.983 173.398 0.585 1
1 738 . 13 1 1 A 65 65 PRO CA C 65 63.212 62.295 0.917 1
1 739 . 13 1 1 A 65 65 PRO HA H 65 4.348 4.740 -0.392 1
1 740 . 13 1 1 A 65 65 PRO CB C 65 31.279 30.504 0.775 1
1 749 . 13 1 1 A 65 65 PRO C C 65 176.821 175.765 1.056 1
1 750 . 13 1 1 A 66 66 ALA N N 66 125.896 125.723 0.173 1
1 751 . 13 1 1 A 66 66 ALA H H 66 8.563 8.030 0.533 1
1 752 . 13 1 1 A 66 66 ALA CA C 66 52.003 50.988 1.015 1
1 753 . 13 1 1 A 66 66 ALA HA H 66 4.651 4.788 -0.137 1
1 754 . 13 1 1 A 66 66 ALA CB C 66 24.137 21.055 3.082 1
1 758 . 13 1 1 A 66 66 ALA C C 66 176.244 177.504 -1.260 1
1 759 . 13 1 1 A 67 67 ASN CA C 67 52.862 55.449 -2.587 1
1 760 . 13 1 1 A 67 67 ASN HA H 67 4.988 4.663 0.325 1
1 761 . 13 1 1 A 67 67 ASN CB C 67 40.168 39.266 0.902 1
1 767 . 13 1 1 A 67 67 ASN C C 67 174.896 175.691 -0.795 1
1 768 . 13 1 1 A 68 68 SER N N 68 114.553 115.121 -0.568 1
1 769 . 13 1 1 A 68 68 SER H H 68 7.777 7.631 0.146 1
1 770 . 13 1 1 A 68 68 SER CA C 68 56.741 58.768 -2.027 1
1 771 . 13 1 1 A 68 68 SER HA H 68 4.737 4.471 0.266 1
1 772 . 13 1 1 A 68 68 SER CB C 68 65.267 64.411 0.856 1
1 775 . 13 1 1 A 68 68 SER C C 68 174.542 174.430 0.112 1
1 776 . 13 1 1 A 69 69 LEU CA C 69 59.000 56.988 2.012 1
1 777 . 13 1 1 A 69 69 LEU HA H 69 3.961 4.349 -0.388 1
1 778 . 13 1 1 A 69 69 LEU CB C 69 41.679 43.037 -1.358 1
1 791 . 13 1 1 A 69 69 LEU C C 69 178.629 178.774 -0.145 1
1 792 . 13 1 1 A 70 70 GLN N N 70 115.924 117.798 -1.874 1
1 793 . 13 1 1 A 70 70 GLN H H 70 8.785 8.322 0.463 1
1 794 . 13 1 1 A 70 70 GLN CA C 70 59.728 59.503 0.225 1
1 795 . 13 1 1 A 70 70 GLN HA H 70 3.977 3.949 0.028 1
1 796 . 13 1 1 A 70 70 GLN CB C 70 27.912 28.278 -0.366 1
1 805 . 13 1 1 A 70 70 GLN C C 70 178.954 178.766 0.188 1
1 806 . 13 1 1 A 71 71 GLN N N 71 118.694 119.203 -0.509 1
1 807 . 13 1 1 A 71 71 GLN H H 71 7.780 7.852 -0.072 1
1 808 . 13 1 1 A 71 71 GLN CA C 71 58.233 58.667 -0.434 1
1 809 . 13 1 1 A 71 71 GLN HA H 71 4.219 4.100 0.119 1
1 810 . 13 1 1 A 71 71 GLN CB C 71 29.089 28.511 0.578 1
1 819 . 13 1 1 A 71 71 GLN C C 71 178.724 178.556 0.168 1
1 820 . 13 1 1 A 72 72 LYS N N 72 119.661 119.668 -0.007 1
1 821 . 13 1 1 A 72 72 LYS H H 72 8.094 8.012 0.082 1
1 822 . 13 1 1 A 72 72 LYS CA C 72 61.528 59.624 1.904 1
1 823 . 13 1 1 A 72 72 LYS HA H 72 4.206 4.039 0.167 1
1 824 . 13 1 1 A 72 72 LYS CB C 72 33.806 32.327 1.479 1
1 836 . 13 1 1 A 72 72 LYS C C 72 179.041 179.350 -0.309 1
1 837 . 13 1 1 A 73 73 LEU N N 73 117.098 120.843 -3.745 1
1 838 . 13 1 1 A 73 73 LEU H H 73 8.602 7.864 0.738 1
1 839 . 13 1 1 A 73 73 LEU CA C 73 58.118 57.961 0.157 1
1 840 . 13 1 1 A 73 73 LEU HA H 73 4.287 4.163 0.124 1
1 841 . 13 1 1 A 73 73 LEU CB C 73 40.831 41.403 -0.572 1
1 854 . 13 1 1 A 73 73 LEU C C 73 180.838 178.918 1.920 1
1 855 . 13 1 1 A 74 74 SER N N 74 118.060 113.856 4.204 1
1 856 . 13 1 1 A 74 74 SER H H 74 8.334 8.020 0.314 1
1 857 . 13 1 1 A 74 74 SER CA C 74 61.971 61.764 0.207 1
1 858 . 13 1 1 A 74 74 SER HA H 74 4.431 4.118 0.313 1
1 859 . 13 1 1 A 74 74 SER CB C 74 62.560 63.163 -0.603 1
1 862 . 13 1 1 A 74 74 SER C C 74 177.493 177.269 0.224 1
1 863 . 13 1 1 A 75 75 ASN N N 75 121.688 119.078 2.610 1
1 864 . 13 1 1 A 75 75 ASN H H 75 8.266 8.098 0.168 1
1 865 . 13 1 1 A 75 75 ASN CA C 75 56.090 56.566 -0.476 1
1 866 . 13 1 1 A 75 75 ASN HA H 75 4.739 4.684 0.055 1
1 867 . 13 1 1 A 75 75 ASN CB C 75 38.184 38.313 -0.129 1
1 873 . 13 1 1 A 75 75 ASN C C 75 177.792 178.099 -0.307 1
1 874 . 13 1 1 A 76 76 TRP N N 76 118.943 120.013 -1.070 1
1 875 . 13 1 1 A 76 76 TRP H H 76 8.510 8.164 0.346 1
1 876 . 13 1 1 A 76 76 TRP CA C 76 62.294 59.368 2.926 1
1 877 . 13 1 1 A 76 76 TRP HA H 76 4.173 4.281 -0.108 1
1 878 . 13 1 1 A 76 76 TRP CB C 76 29.223 29.294 -0.071 1
1 893 . 13 1 1 A 76 76 TRP C C 76 178.579 179.235 -0.656 1
1 894 . 13 1 1 A 77 77 GLY N N 77 107.789 107.527 0.262 1
1 895 . 13 1 1 A 77 77 GLY H H 77 8.954 8.890 0.064 1
1 896 . 13 1 1 A 77 77 GLY CA C 77 47.600 47.597 0.003 1
1 897 . 13 1 1 A 77 77 GLY HA2 H 77 4.122 3.861 0.261 1
1 898 . 13 1 1 A 77 77 GLY HA3 H 77 3.977 3.882 0.095 1
1 899 . 13 1 1 A 77 77 GLY C C 77 176.076 175.931 0.145 1
1 900 . 13 1 1 A 78 78 HIS N N 78 122.925 121.728 1.197 1
1 901 . 13 1 1 A 78 78 HIS H H 78 8.127 8.538 -0.411 1
1 902 . 13 1 1 A 78 78 HIS CA C 78 61.550 59.301 2.249 1
1 903 . 13 1 1 A 78 78 HIS HA H 78 4.206 4.230 -0.024 1
1 904 . 13 1 1 A 78 78 HIS CB C 78 30.794 30.067 0.727 1
1 911 . 13 1 1 A 78 78 HIS C C 78 177.572 177.413 0.159 1
1 912 . 13 1 1 A 79 79 LEU N N 79 120.009 120.713 -0.704 1
1 913 . 13 1 1 A 79 79 LEU H H 79 8.726 8.335 0.391 1
1 914 . 13 1 1 A 79 79 LEU CA C 79 58.252 57.249 1.003 1
1 915 . 13 1 1 A 79 79 LEU HA H 79 4.227 4.294 -0.067 1
1 916 . 13 1 1 A 79 79 LEU CB C 79 43.075 41.492 1.583 1
1 929 . 13 1 1 A 79 79 LEU C C 79 181.067 178.557 2.510 1
1 930 . 13 1 1 A 80 80 ASN N N 80 119.257 117.636 1.621 1
1 931 . 13 1 1 A 80 80 ASN H H 80 9.270 7.975 1.295 1
1 932 . 13 1 1 A 80 80 ASN CA C 80 57.279 56.472 0.807 1
1 933 . 13 1 1 A 80 80 ASN HA H 80 4.595 4.592 0.003 1
1 934 . 13 1 1 A 80 80 ASN CB C 80 40.403 38.872 1.531 1
1 940 . 13 1 1 A 80 80 ASN C C 80 177.177 176.802 0.375 1
1 941 . 13 1 1 A 81 81 ARG N N 81 115.731 117.335 -1.604 1
1 942 . 13 1 1 A 81 81 ARG H H 81 8.085 8.196 -0.111 1
1 943 . 13 1 1 A 81 81 ARG CA C 81 59.249 55.695 3.554 1
1 944 . 13 1 1 A 81 81 ARG HA H 81 4.167 4.554 -0.387 1
1 945 . 13 1 1 A 81 81 ARG CB C 81 31.579 30.559 1.020 1
1 954 . 13 1 1 A 81 81 ARG C C 81 177.890 176.866 1.024 1
1 955 . 13 1 1 A 82 82 LYS N N 82 113.840 117.682 -3.842 1
1 956 . 13 1 1 A 82 82 LYS H H 82 8.691 7.791 0.900 1
1 957 . 13 1 1 A 82 82 LYS CA C 82 56.216 56.414 -0.198 1
1 958 . 13 1 1 A 82 82 LYS HA H 82 4.441 4.396 0.045 1
1 959 . 13 1 1 A 82 82 LYS CB C 82 32.964 33.852 -0.888 1
1 971 . 13 1 1 A 82 82 LYS C C 82 177.543 176.887 0.656 1
1 972 . 13 1 1 A 83 83 VAL N N 83 117.873 116.898 0.975 1
1 973 . 13 1 1 A 83 83 VAL H H 83 7.786 7.883 -0.097 1
1 974 . 13 1 1 A 83 83 VAL CA C 83 64.939 63.647 1.292 1
1 975 . 13 1 1 A 83 83 VAL HA H 83 4.235 4.258 -0.023 1
1 976 . 13 1 1 A 83 83 VAL CB C 83 34.046 32.909 1.137 1
1 986 . 13 1 1 A 83 83 VAL C C 83 176.945 177.516 -0.571 1
1 987 . 13 1 1 A 84 84 LEU N N 84 118.163 120.264 -2.101 1
1 988 . 13 1 1 A 84 84 LEU H H 84 9.200 8.122 1.078 1
1 989 . 13 1 1 A 84 84 LEU CA C 84 58.824 58.101 0.723 1
1 990 . 13 1 1 A 84 84 LEU HA H 84 3.898 3.964 -0.066 1
1 991 . 13 1 1 A 84 84 LEU CB C 84 38.418 42.049 -3.631 1
1 1004 . 13 1 1 A 84 84 LEU C C 84 179.874 179.095 0.779 1
1 1005 . 13 1 1 A 85 85 LYS N N 85 117.114 118.853 -1.739 1
1 1006 . 13 1 1 A 85 85 LYS H H 85 7.303 8.396 -1.093 1
1 1007 . 13 1 1 A 85 85 LYS CA C 85 59.436 59.726 -0.290 1
1 1008 . 13 1 1 A 85 85 LYS HA H 85 4.191 3.997 0.194 1
1 1009 . 13 1 1 A 85 85 LYS CB C 85 33.096 32.551 0.545 1
1 1021 . 13 1 1 A 85 85 LYS C C 85 180.286 178.846 1.440 1
1 1022 . 13 1 1 A 86 86 ARG N N 86 117.181 119.906 -2.725 1
1 1023 . 13 1 1 A 86 86 ARG H H 86 7.216 8.174 -0.958 1
1 1024 . 13 1 1 A 86 86 ARG CA C 86 57.924 59.029 -1.105 1
1 1025 . 13 1 1 A 86 86 ARG HA H 86 4.191 4.138 0.053 1
1 1026 . 13 1 1 A 86 86 ARG CB C 86 29.848 30.156 -0.308 1
1 1035 . 13 1 1 A 86 86 ARG C C 86 177.047 178.066 -1.019 1
1 1036 . 13 1 1 A 87 87 LEU N N 87 118.282 117.892 0.390 1
1 1037 . 13 1 1 A 87 87 LEU H H 87 7.584 8.076 -0.492 1
1 1038 . 13 1 1 A 87 87 LEU CA C 87 53.603 54.529 -0.926 1
1 1039 . 13 1 1 A 87 87 LEU HA H 87 4.339 4.418 -0.079 1
1 1040 . 13 1 1 A 87 87 LEU CB C 87 42.059 42.049 0.010 1
1 1053 . 13 1 1 A 87 87 LEU C C 87 175.182 176.186 -1.004 1
1 1054 . 13 1 1 A 88 88 ASN N N 88 115.016 117.017 -2.001 1
1 1055 . 13 1 1 A 88 88 ASN H H 88 7.932 8.112 -0.180 1
1 1056 . 13 1 1 A 88 88 ASN CA C 88 54.081 54.447 -0.366 1
1 1057 . 13 1 1 A 88 88 ASN HA H 88 4.384 4.373 0.011 1
1 1058 . 13 1 1 A 88 88 ASN CB C 88 36.809 37.541 -0.732 1
1 1064 . 13 1 1 A 88 88 ASN C C 88 173.426 174.585 -1.159 1
1 1065 . 13 1 1 A 89 89 PHE N N 89 119.795 119.190 0.605 1
1 1066 . 13 1 1 A 89 89 PHE H H 89 7.739 8.357 -0.618 1
1 1067 . 13 1 1 A 89 89 PHE CA C 89 56.231 57.253 -1.022 1
1 1068 . 13 1 1 A 89 89 PHE HA H 89 4.887 4.853 0.034 1
1 1069 . 13 1 1 A 89 89 PHE CB C 89 43.188 41.816 1.372 1
1 1082 . 13 1 1 A 89 89 PHE C C 89 172.386 174.169 -1.783 1
1 1083 . 13 1 1 A 90 90 SER N N 90 117.020 117.048 -0.028 1
1 1084 . 13 1 1 A 90 90 SER H H 90 7.301 8.155 -0.854 1
1 1085 . 13 1 1 A 90 90 SER CA C 90 56.762 57.278 -0.516 1
1 1086 . 13 1 1 A 90 90 SER HA H 90 4.667 5.323 -0.656 1
1 1087 . 13 1 1 A 90 90 SER CB C 90 64.885 66.169 -1.284 1
1 1090 . 13 1 1 A 90 90 SER C C 90 172.726 172.713 0.013 1
1 1091 . 13 1 1 A 91 91 VAL N N 91 126.604 122.060 4.544 1
1 1092 . 13 1 1 A 91 91 VAL H H 91 8.959 8.755 0.204 1
1 1093 . 13 1 1 A 91 91 VAL CA C 91 59.173 59.043 0.130 1
1 1094 . 13 1 1 A 91 91 VAL HA H 91 4.336 4.670 -0.334 1
1 1095 . 13 1 1 A 91 91 VAL CB C 91 33.703 35.670 -1.967 1
1 1105 . 13 1 1 A 91 91 VAL C C 91 173.886 173.703 0.183 1
1 1106 . 13 1 1 A 92 92 PRO CA C 92 62.618 62.756 -0.138 1
1 1107 . 13 1 1 A 92 92 PRO HA H 92 4.481 4.649 -0.168 1
1 1108 . 13 1 1 A 92 92 PRO CB C 92 33.302 32.838 0.464 1
1 1117 . 13 1 1 A 92 92 PRO C C 92 177.410 176.570 0.840 1
1 1118 . 13 1 1 A 93 93 ASP N N 93 123.319 122.004 1.315 1
1 1119 . 13 1 1 A 93 93 ASP H H 93 8.854 8.714 0.140 1
1 1120 . 13 1 1 A 93 93 ASP CA C 93 58.347 56.350 1.997 1
1 1121 . 13 1 1 A 93 93 ASP HA H 93 4.298 4.452 -0.154 1
1 1122 . 13 1 1 A 93 93 ASP CB C 93 40.916 40.349 0.567 1
1 1125 . 13 1 1 A 93 93 ASP C C 93 178.221 177.404 0.817 1
1 1126 . 13 1 1 A 94 94 ASP N N 94 116.740 119.180 -2.440 1
1 1127 . 13 1 1 A 94 94 ASP H H 94 8.955 8.166 0.789 1
1 1128 . 13 1 1 A 94 94 ASP CA C 94 56.851 56.701 0.150 1
1 1129 . 13 1 1 A 94 94 ASP HA H 94 4.222 4.483 -0.261 1
1 1130 . 13 1 1 A 94 94 ASP CB C 94 39.733 40.789 -1.056 1
1 1133 . 13 1 1 A 94 94 ASP C C 94 178.344 178.598 -0.254 1
1 1134 . 13 1 1 A 95 95 VAL N N 95 121.559 121.143 0.416 1
1 1135 . 13 1 1 A 95 95 VAL H H 95 6.935 7.861 -0.926 1
1 1136 . 13 1 1 A 95 95 VAL CA C 95 66.007 66.196 -0.189 1
1 1137 . 13 1 1 A 95 95 VAL HA H 95 3.378 3.618 -0.240 1
1 1138 . 13 1 1 A 95 95 VAL CB C 95 31.712 31.078 0.634 1
1 1148 . 13 1 1 A 95 95 VAL C C 95 177.153 177.532 -0.379 1
1 1149 . 13 1 1 A 96 96 MET N N 96 118.492 118.877 -0.385 1
1 1150 . 13 1 1 A 96 96 MET H H 96 7.993 7.606 0.387 1
1 1151 . 13 1 1 A 96 96 MET CA C 96 60.318 58.560 1.758 1
1 1152 . 13 1 1 A 96 96 MET HA H 96 3.037 3.884 -0.847 1
1 1153 . 13 1 1 A 96 96 MET CB C 96 33.348 33.174 0.174 1
1 1163 . 13 1 1 A 96 96 MET C C 96 176.993 178.379 -1.386 1
1 1164 . 13 1 1 A 97 97 ARG N N 97 116.593 118.774 -2.181 1
1 1165 . 13 1 1 A 97 97 ARG H H 97 7.668 7.536 0.132 1
1 1166 . 13 1 1 A 97 97 ARG CA C 97 60.372 59.604 0.768 1
1 1167 . 13 1 1 A 97 97 ARG HA H 97 3.772 3.959 -0.187 1
1 1168 . 13 1 1 A 97 97 ARG CB C 97 29.627 30.052 -0.425 1
1 1177 . 13 1 1 A 97 97 ARG C C 97 177.718 178.965 -1.247 1
1 1178 . 13 1 1 A 98 98 LYS N N 98 118.000 118.965 -0.965 1
1 1179 . 13 1 1 A 98 98 LYS H H 98 7.279 7.915 -0.636 1
1 1180 . 13 1 1 A 98 98 LYS CA C 98 59.942 58.987 0.955 1
1 1181 . 13 1 1 A 98 98 LYS HA H 98 4.035 4.031 0.004 1
1 1182 . 13 1 1 A 98 98 LYS CB C 98 33.307 32.509 0.798 1
1 1194 . 13 1 1 A 98 98 LYS C C 98 178.861 178.876 -0.015 1
1 1195 . 13 1 1 A 99 99 ILE N N 99 119.736 120.419 -0.683 1
1 1196 . 13 1 1 A 99 99 ILE H H 99 8.298 7.760 0.538 1
1 1197 . 13 1 1 A 99 99 ILE CA C 99 65.451 65.578 -0.127 1
1 1198 . 13 1 1 A 99 99 ILE HA H 99 3.473 3.603 -0.130 1
1 1199 . 13 1 1 A 99 99 ILE CB C 99 38.088 37.476 0.612 1
1 1212 . 13 1 1 A 99 99 ILE C C 99 181.472 178.131 3.341 1
1 1213 . 13 1 1 A 100 100 ALA N N 100 124.832 121.648 3.184 1
1 1214 . 13 1 1 A 100 100 ALA H H 100 8.473 7.812 0.661 1
1 1215 . 13 1 1 A 100 100 ALA CA C 100 54.623 54.208 0.415 1
1 1216 . 13 1 1 A 100 100 ALA HA H 100 4.481 4.175 0.306 1
1 1217 . 13 1 1 A 100 100 ALA CB C 100 19.106 18.250 0.856 1
1 1221 . 13 1 1 A 100 100 ALA C C 100 177.755 178.544 -0.789 1
1 1222 . 13 1 1 A 101 101 GLN N N 101 113.891 115.740 -1.849 1
1 1223 . 13 1 1 A 101 101 GLN H H 101 7.665 7.847 -0.182 1
1 1224 . 13 1 1 A 101 101 GLN CA C 101 55.681 55.145 0.536 1
1 1225 . 13 1 1 A 101 101 GLN HA H 101 4.378 4.499 -0.121 1
1 1226 . 13 1 1 A 101 101 GLN CB C 101 28.879 28.556 0.323 1
1 1235 . 13 1 1 A 101 101 GLN C C 101 175.604 174.646 0.958 1
1 1236 . 13 1 1 A 102 102 CYS N N 102 114.274 115.652 -1.378 1
1 1237 . 13 1 1 A 102 102 CYS H H 102 8.300 7.616 0.684 1
1 1238 . 13 1 1 A 102 102 CYS CA C 102 58.700 60.375 -1.675 1
1 1239 . 13 1 1 A 102 102 CYS HA H 102 4.030 4.123 -0.093 1
1 1240 . 13 1 1 A 102 102 CYS CB C 102 24.987 26.234 -1.247 1
1 1243 . 13 1 1 A 102 102 CYS C C 102 174.186 174.220 -0.034 1
1 1244 . 13 1 1 A 103 103 ALA N N 103 123.512 121.275 2.237 1
1 1245 . 13 1 1 A 103 103 ALA H H 103 8.175 7.386 0.789 1
1 1246 . 13 1 1 A 103 103 ALA CA C 103 50.841 50.975 -0.134 1
1 1247 . 13 1 1 A 103 103 ALA HA H 103 4.458 4.386 0.072 1
1 1248 . 13 1 1 A 103 103 ALA CB C 103 18.353 18.590 -0.237 1
1 1252 . 13 1 1 A 103 103 ALA C C 103 175.904 175.847 0.057 1
1 1253 . 13 1 1 A 104 104 PRO CA C 104 64.290 63.911 0.379 1
1 1254 . 13 1 1 A 104 104 PRO HA H 104 4.315 4.324 -0.009 1
1 1255 . 13 1 1 A 104 104 PRO CB C 104 32.028 31.284 0.744 1
1 1264 . 13 1 1 A 104 104 PRO C C 104 178.173 177.577 0.596 1
1 1265 . 13 1 1 A 105 105 GLY N N 105 113.466 112.802 0.664 1
1 1266 . 13 1 1 A 105 105 GLY H H 105 9.036 9.025 0.011 1
1 1267 . 13 1 1 A 105 105 GLY CA C 105 45.935 47.000 -1.065 1
1 1268 . 13 1 1 A 105 105 GLY HA2 H 105 4.044 3.876 0.168 1
1 1269 . 13 1 1 A 105 105 GLY HA3 H 105 3.832 3.879 -0.047 1
1 1270 . 13 1 1 A 105 105 GLY C C 105 174.928 174.852 0.076 1
1 1271 . 13 1 1 A 106 106 VAL N N 106 117.991 117.340 0.651 1
1 1272 . 13 1 1 A 106 106 VAL H H 106 6.964 8.123 -1.159 1
1 1273 . 13 1 1 A 106 106 VAL CA C 106 66.071 63.962 2.109 1
1 1274 . 13 1 1 A 106 106 VAL HA H 106 3.842 4.218 -0.376 1
1 1275 . 13 1 1 A 106 106 VAL CB C 106 31.337 34.014 -2.677 1
1 1285 . 13 1 1 A 106 106 VAL C C 106 178.061 176.834 1.227 1
1 1286 . 13 1 1 A 107 107 VAL N N 107 121.474 120.275 1.199 1
1 1287 . 13 1 1 A 107 107 VAL H H 107 9.039 8.157 0.882 1
1 1288 . 13 1 1 A 107 107 VAL CA C 107 65.971 64.810 1.161 1
1 1289 . 13 1 1 A 107 107 VAL HA H 107 3.743 3.871 -0.128 1
1 1290 . 13 1 1 A 107 107 VAL CB C 107 30.959 31.755 -0.796 1
1 1300 . 13 1 1 A 107 107 VAL C C 107 177.629 177.489 0.140 1
1 1301 . 13 1 1 A 108 108 GLU N N 108 126.242 121.580 4.662 1
1 1302 . 13 1 1 A 108 108 GLU H H 108 11.107 8.181 2.926 1
1 1303 . 13 1 1 A 108 108 GLU CA C 108 62.429 59.228 3.201 1
1 1304 . 13 1 1 A 108 108 GLU HA H 108 3.584 3.997 -0.413 1
1 1305 . 13 1 1 A 108 108 GLU CB C 108 28.863 29.391 -0.528 1
1 1311 . 13 1 1 A 108 108 GLU C C 108 176.878 179.080 -2.202 1
1 1312 . 13 1 1 A 109 109 LEU N N 109 114.111 119.886 -5.775 1
1 1313 . 13 1 1 A 109 109 LEU H H 109 7.474 8.315 -0.841 1
1 1314 . 13 1 1 A 109 109 LEU CA C 109 56.293 57.812 -1.519 1
1 1315 . 13 1 1 A 109 109 LEU HA H 109 4.024 4.044 -0.020 1
1 1316 . 13 1 1 A 109 109 LEU CB C 109 40.846 41.586 -0.740 1
1 1329 . 13 1 1 A 109 109 LEU C C 109 178.647 178.834 -0.187 1
1 1330 . 13 1 1 A 110 110 VAL N N 110 116.984 119.062 -2.078 1
1 1331 . 13 1 1 A 110 110 VAL H H 110 7.557 7.370 0.187 1
1 1332 . 13 1 1 A 110 110 VAL CA C 110 64.274 65.263 -0.989 1
1 1333 . 13 1 1 A 110 110 VAL HA H 110 4.206 3.992 0.214 1
1 1334 . 13 1 1 A 110 110 VAL CB C 110 33.070 31.882 1.188 1
1 1344 . 13 1 1 A 110 110 VAL C C 110 176.435 177.696 -1.261 1
1 1345 . 13 1 1 A 111 111 LEU N N 111 118.461 121.198 -2.737 1
1 1346 . 13 1 1 A 111 111 LEU H H 111 8.453 8.152 0.301 1
1 1347 . 13 1 1 A 111 111 LEU CA C 111 58.047 57.755 0.292 1
1 1348 . 13 1 1 A 111 111 LEU HA H 111 4.003 4.079 -0.076 1
1 1349 . 13 1 1 A 111 111 LEU CB C 111 43.552 41.801 1.751 1
1 1362 . 13 1 1 A 111 111 LEU C C 111 177.274 179.150 -1.876 1
1 1363 . 13 1 1 A 112 112 ILE N N 112 115.835 118.941 -3.106 1
1 1364 . 13 1 1 A 112 112 ILE H H 112 7.850 7.836 0.014 1
1 1365 . 13 1 1 A 112 112 ILE CA C 112 67.843 66.547 1.296 1
1 1366 . 13 1 1 A 112 112 ILE HA H 112 3.636 3.564 0.072 1
1 1367 . 13 1 1 A 112 112 ILE CB C 112 36.504 36.410 0.094 1
1 1380 . 13 1 1 A 112 112 ILE C C 112 176.487 175.014 1.473 1
1 1381 . 13 1 1 A 113 113 PRO CA C 113 64.872 65.362 -0.490 1
1 1382 . 13 1 1 A 113 113 PRO HA H 113 4.420 4.336 0.084 1
1 1383 . 13 1 1 A 113 113 PRO CB C 113 30.348 31.077 -0.729 1
1 1392 . 13 1 1 A 113 113 PRO C C 113 179.001 178.789 0.212 1
1 1393 . 13 1 1 A 114 114 LEU N N 114 120.690 117.935 2.755 1
1 1394 . 13 1 1 A 114 114 LEU H H 114 7.672 7.336 0.336 1
1 1395 . 13 1 1 A 114 114 LEU CA C 114 58.337 57.807 0.530 1
1 1396 . 13 1 1 A 114 114 LEU HA H 114 3.490 3.937 -0.447 1
1 1397 . 13 1 1 A 114 114 LEU CB C 114 41.840 41.430 0.410 1
1 1410 . 13 1 1 A 114 114 LEU C C 114 177.486 178.337 -0.851 1
1 1411 . 13 1 1 A 115 115 ARG N N 115 119.039 117.533 1.506 1
1 1412 . 13 1 1 A 115 115 ARG H H 115 8.159 7.845 0.314 1
1 1413 . 13 1 1 A 115 115 ARG CA C 115 60.199 58.885 1.314 1
1 1414 . 13 1 1 A 115 115 ARG HA H 115 3.215 3.883 -0.668 1
1 1415 . 13 1 1 A 115 115 ARG CB C 115 28.049 29.380 -1.331 1
1 1426 . 13 1 1 A 115 115 ARG C C 115 177.460 178.377 -0.917 1
1 1427 . 13 1 1 A 116 116 GLN N N 116 115.221 118.908 -3.687 1
1 1428 . 13 1 1 A 116 116 GLN H H 116 6.825 7.654 -0.829 1
1 1429 . 13 1 1 A 116 116 GLN CA C 116 58.838 58.788 0.050 1
1 1430 . 13 1 1 A 116 116 GLN HA H 116 3.830 3.912 -0.082 1
1 1431 . 13 1 1 A 116 116 GLN CB C 116 27.871 28.255 -0.384 1
1 1440 . 13 1 1 A 116 116 GLN C C 116 178.648 178.516 0.132 1
1 1441 . 13 1 1 A 117 117 ARG N N 117 118.476 120.184 -1.708 1
1 1442 . 13 1 1 A 117 117 ARG H H 117 8.028 7.573 0.455 1
1 1443 . 13 1 1 A 117 117 ARG CA C 117 57.607 59.127 -1.520 1
1 1444 . 13 1 1 A 117 117 ARG HA H 117 4.117 4.112 0.005 1
1 1445 . 13 1 1 A 117 117 ARG CB C 117 30.040 30.582 -0.542 1
1 1454 . 13 1 1 A 117 117 ARG C C 117 179.370 178.413 0.957 1
1 1455 . 13 1 1 A 118 118 LEU N N 118 120.407 119.981 0.426 1
1 1456 . 13 1 1 A 118 118 LEU H H 118 8.533 7.994 0.539 1
1 1457 . 13 1 1 A 118 118 LEU CA C 118 58.295 57.781 0.514 1
1 1458 . 13 1 1 A 118 118 LEU HA H 118 3.950 3.926 0.024 1
1 1459 . 13 1 1 A 118 118 LEU CB C 118 40.472 41.170 -0.698 1
1 1472 . 13 1 1 A 118 118 LEU C C 118 178.577 179.335 -0.758 1
1 1473 . 13 1 1 A 119 119 GLU N N 119 116.858 118.659 -1.801 1
1 1474 . 13 1 1 A 119 119 GLU H H 119 8.220 8.146 0.074 1
1 1475 . 13 1 1 A 119 119 GLU CA C 119 59.441 59.417 0.024 1
1 1476 . 13 1 1 A 119 119 GLU HA H 119 4.047 3.989 0.058 1
1 1477 . 13 1 1 A 119 119 GLU CB C 119 29.271 28.925 0.346 1
1 1483 . 13 1 1 A 119 119 GLU C C 119 179.631 180.030 -0.399 1
1 1484 . 13 1 1 A 120 120 GLU N N 120 119.797 119.914 -0.117 1
1 1485 . 13 1 1 A 120 120 GLU H H 120 8.199 8.219 -0.020 1
1 1486 . 13 1 1 A 120 120 GLU CA C 120 59.223 58.865 0.358 1
1 1487 . 13 1 1 A 120 120 GLU HA H 120 4.062 4.124 -0.062 1
1 1488 . 13 1 1 A 120 120 GLU CB C 120 29.562 29.466 0.096 1
1 1494 . 13 1 1 A 120 120 GLU C C 120 178.823 177.719 1.104 1
1 1495 . 13 1 1 A 121 121 ARG N N 121 118.760 118.915 -0.155 1
1 1496 . 13 1 1 A 121 121 ARG H H 121 7.928 7.531 0.397 1
1 1497 . 13 1 1 A 121 121 ARG CA C 121 58.065 56.665 1.400 1
1 1498 . 13 1 1 A 121 121 ARG HA H 121 4.136 4.466 -0.330 1
1 1499 . 13 1 1 A 121 121 ARG CB C 121 29.478 31.044 -1.566 1
1 1508 . 13 1 1 A 121 121 ARG C C 121 178.426 178.338 0.088 1
1 1509 . 13 1 1 A 122 122 GLN N N 122 119.430 119.839 -0.409 1
1 1510 . 13 1 1 A 122 122 GLN H H 122 8.323 8.079 0.244 1
1 1511 . 13 1 1 A 122 122 GLN CA C 122 58.489 59.068 -0.579 1
1 1512 . 13 1 1 A 122 122 GLN HA H 122 4.352 4.188 0.164 1
1 1513 . 13 1 1 A 122 122 GLN CB C 122 29.611 29.071 0.540 1
1 1522 . 13 1 1 A 122 122 GLN C C 122 177.291 178.039 -0.748 1
1 1523 . 13 1 1 A 123 123 ARG N N 123 118.341 118.175 0.166 1
1 1524 . 13 1 1 A 123 123 ARG H H 123 7.920 8.109 -0.189 1
1 1525 . 13 1 1 A 123 123 ARG CA C 123 57.695 59.227 -1.532 1
1 1526 . 13 1 1 A 123 123 ARG HA H 123 4.266 4.153 0.113 1
1 1527 . 13 1 1 A 123 123 ARG CB C 123 30.671 30.224 0.447 1
1 1536 . 13 1 1 A 123 123 ARG C C 123 177.214 176.882 0.332 1
1 1537 . 13 1 1 A 124 124 ARG N N 124 119.452 120.528 -1.076 1
1 1538 . 13 1 1 A 124 124 ARG H H 124 7.850 7.882 -0.032 1
1 1539 . 13 1 1 A 124 124 ARG CA C 124 56.814 56.394 0.420 1
1 1540 . 13 1 1 A 124 124 ARG HA H 124 4.300 4.314 -0.014 1
1 1541 . 13 1 1 A 124 124 ARG CB C 124 30.672 30.973 -0.301 1
1 1550 . 13 1 1 A 124 124 ARG C C 124 176.540 175.777 0.763 1
1 1551 . 13 1 1 A 125 125 ARG N N 125 120.963 125.712 -4.749 1
1 1552 . 13 1 1 A 125 125 ARG H H 125 8.081 8.710 -0.629 1
1 1553 . 13 1 1 A 125 125 ARG CA C 125 56.514 55.297 1.217 1
1 1554 . 13 1 1 A 125 125 ARG HA H 125 4.355 4.706 -0.351 1
1 1555 . 13 1 1 A 125 125 ARG CB C 125 30.694 31.087 -0.393 1
1 1564 . 13 1 1 A 125 125 ARG C C 125 176.133 174.714 1.419 1
1 1565 . 13 1 1 A 126 126 LYS N N 126 122.811 126.597 -3.786 1
1 1566 . 13 1 1 A 126 126 LYS H H 126 8.252 8.546 -0.294 1
1 1567 . 13 1 1 A 126 126 LYS CA C 126 56.430 54.672 1.758 1
1 1568 . 13 1 1 A 126 126 LYS HA H 126 4.351 4.657 -0.306 1
1 1569 . 13 1 1 A 126 126 LYS CB C 126 33.017 34.627 -1.610 1
1 1581 . 13 1 1 A 126 126 LYS C C 126 175.649 176.726 -1.077 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.715 57.065 1.650 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.472 4.793 -0.321 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.934 63.174 0.760 1
1 6 . 14 1 1 A 6 6 SER C C 6 174.927 175.137 -0.210 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.435 116.315 -5.880 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.348 8.366 -0.018 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.364 45.313 0.051 1
1 10 . 14 1 1 A 7 7 GLY HA2 H 7 3.919 3.935 -0.016 1
1 11 . 14 1 1 A 7 7 GLY HA3 H 7 3.919 3.935 -0.016 1
1 12 . 14 1 1 A 7 7 GLY C C 7 173.952 175.036 -1.084 1
1 13 . 14 1 1 A 8 8 MET N N 8 119.481 118.717 0.764 1
1 14 . 14 1 1 A 8 8 MET H H 8 8.163 8.229 -0.066 1
1 15 . 14 1 1 A 8 8 MET CA C 8 55.472 56.681 -1.209 1
1 16 . 14 1 1 A 8 8 MET HA H 8 4.486 4.327 0.159 1
1 17 . 14 1 1 A 8 8 MET CB C 8 33.598 32.403 1.195 1
1 27 . 14 1 1 A 8 8 MET C C 8 176.019 175.189 0.830 1
1 28 . 14 1 1 A 9 9 ALA N N 9 125.433 122.811 2.622 1
1 29 . 14 1 1 A 9 9 ALA H H 9 8.436 7.698 0.738 1
1 30 . 14 1 1 A 9 9 ALA CA C 9 52.481 50.889 1.592 1
1 31 . 14 1 1 A 9 9 ALA HA H 9 4.381 4.591 -0.210 1
1 32 . 14 1 1 A 9 9 ALA CB C 9 19.322 20.998 -1.676 1
1 36 . 14 1 1 A 9 9 ALA C C 9 177.349 176.968 0.381 1
1 37 . 14 1 1 A 10 10 SER N N 10 114.383 118.115 -3.732 1
1 38 . 14 1 1 A 10 10 SER H H 10 8.372 8.747 -0.375 1
1 39 . 14 1 1 A 10 10 SER CA C 10 58.607 60.659 -2.052 1
1 40 . 14 1 1 A 10 10 SER HA H 10 4.470 4.494 -0.024 1
1 41 . 14 1 1 A 10 10 SER CB C 10 63.979 64.039 -0.060 1
1 44 . 14 1 1 A 10 10 SER C C 10 174.323 174.515 -0.192 1
1 45 . 14 1 1 A 11 11 SER N N 11 116.549 117.037 -0.488 1
1 46 . 14 1 1 A 11 11 SER H H 11 8.111 7.889 0.222 1
1 47 . 14 1 1 A 11 11 SER CA C 11 58.189 60.520 -2.331 1
1 48 . 14 1 1 A 11 11 SER HA H 11 4.487 4.363 0.124 1
1 49 . 14 1 1 A 11 11 SER CB C 11 64.081 63.736 0.345 1
1 52 . 14 1 1 A 11 11 SER C C 11 173.692 174.880 -1.188 1
1 53 . 14 1 1 A 12 12 VAL N N 12 120.502 126.084 -5.582 1
1 54 . 14 1 1 A 12 12 VAL H H 12 8.207 8.347 -0.140 1
1 55 . 14 1 1 A 12 12 VAL CA C 12 61.847 63.420 -1.573 1
1 56 . 14 1 1 A 12 12 VAL HA H 12 4.150 4.007 0.143 1
1 57 . 14 1 1 A 12 12 VAL CB C 12 33.269 32.174 1.095 1
1 67 . 14 1 1 A 12 12 VAL C C 12 174.930 175.435 -0.505 1
1 68 . 14 1 1 A 13 13 ASP N N 13 124.104 125.208 -1.104 1
1 69 . 14 1 1 A 13 13 ASP H H 13 7.953 8.754 -0.801 1
1 70 . 14 1 1 A 13 13 ASP CA C 13 53.249 52.545 0.704 1
1 71 . 14 1 1 A 13 13 ASP HA H 13 4.661 4.949 -0.288 1
1 72 . 14 1 1 A 13 13 ASP CB C 13 41.891 42.807 -0.916 1
1 75 . 14 1 1 A 13 13 ASP C C 13 176.009 176.536 -0.527 1
1 76 . 14 1 1 A 14 14 GLU N N 14 120.197 119.659 0.538 1
1 77 . 14 1 1 A 14 14 GLU H H 14 8.568 9.081 -0.513 1
1 78 . 14 1 1 A 14 14 GLU CA C 14 59.932 59.374 0.558 1
1 79 . 14 1 1 A 14 14 GLU HA H 14 3.944 3.964 -0.020 1
1 80 . 14 1 1 A 14 14 GLU CB C 14 29.670 29.137 0.533 1
1 86 . 14 1 1 A 14 14 GLU C C 14 178.863 178.967 -0.104 1
1 87 . 14 1 1 A 15 15 GLU N N 15 120.713 120.048 0.665 1
1 88 . 14 1 1 A 15 15 GLU H H 15 8.312 8.516 -0.204 1
1 89 . 14 1 1 A 15 15 GLU CA C 15 59.101 59.535 -0.434 1
1 90 . 14 1 1 A 15 15 GLU HA H 15 4.244 4.046 0.198 1
1 91 . 14 1 1 A 15 15 GLU CB C 15 28.917 29.326 -0.409 1
1 97 . 14 1 1 A 15 15 GLU C C 15 178.511 178.514 -0.003 1
1 98 . 14 1 1 A 16 16 ALA N N 16 123.041 122.562 0.479 1
1 99 . 14 1 1 A 16 16 ALA H H 16 8.047 7.891 0.156 1
1 100 . 14 1 1 A 16 16 ALA CA C 16 54.830 55.208 -0.378 1
1 101 . 14 1 1 A 16 16 ALA HA H 16 4.093 4.137 -0.044 1
1 102 . 14 1 1 A 16 16 ALA CB C 16 18.371 18.521 -0.150 1
1 106 . 14 1 1 A 16 16 ALA C C 16 181.428 179.880 1.548 1
1 107 . 14 1 1 A 17 17 LEU N N 17 119.436 118.281 1.155 1
1 108 . 14 1 1 A 17 17 LEU H H 17 8.042 8.100 -0.058 1
1 109 . 14 1 1 A 17 17 LEU CA C 17 57.623 58.111 -0.488 1
1 110 . 14 1 1 A 17 17 LEU HA H 17 3.838 4.054 -0.216 1
1 111 . 14 1 1 A 17 17 LEU CB C 17 41.323 42.033 -0.710 1
1 124 . 14 1 1 A 17 17 LEU C C 17 177.590 178.998 -1.408 1
1 125 . 14 1 1 A 18 18 HIS N N 18 118.394 117.648 0.746 1
1 126 . 14 1 1 A 18 18 HIS H H 18 8.182 8.179 0.003 1
1 127 . 14 1 1 A 18 18 HIS CA C 18 59.415 59.945 -0.530 1
1 128 . 14 1 1 A 18 18 HIS HA H 18 4.435 3.894 0.541 1
1 129 . 14 1 1 A 18 18 HIS CB C 18 29.560 29.792 -0.232 1
1 136 . 14 1 1 A 18 18 HIS C C 18 178.114 176.669 1.445 1
1 137 . 14 1 1 A 19 19 GLN N N 19 115.623 117.045 -1.422 1
1 138 . 14 1 1 A 19 19 GLN H H 19 8.178 8.162 0.016 1
1 139 . 14 1 1 A 19 19 GLN CA C 19 58.406 59.107 -0.701 1
1 140 . 14 1 1 A 19 19 GLN HA H 19 3.904 3.707 0.197 1
1 141 . 14 1 1 A 19 19 GLN CB C 19 28.118 28.068 0.050 1
1 150 . 14 1 1 A 19 19 GLN C C 19 179.132 178.372 0.760 1
1 151 . 14 1 1 A 20 20 LEU N N 20 122.817 121.321 1.496 1
1 152 . 14 1 1 A 20 20 LEU H H 20 7.949 8.252 -0.303 1
1 153 . 14 1 1 A 20 20 LEU CA C 20 58.278 57.740 0.538 1
1 154 . 14 1 1 A 20 20 LEU HA H 20 4.233 4.106 0.127 1
1 155 . 14 1 1 A 20 20 LEU CB C 20 40.850 41.859 -1.009 1
1 168 . 14 1 1 A 20 20 LEU C C 20 178.466 178.352 0.114 1
1 169 . 14 1 1 A 21 21 TYR N N 21 118.825 118.807 0.018 1
1 170 . 14 1 1 A 21 21 TYR H H 21 8.376 8.116 0.260 1
1 171 . 14 1 1 A 21 21 TYR CA C 21 60.605 60.855 -0.250 1
1 172 . 14 1 1 A 21 21 TYR HA H 21 4.286 4.264 0.022 1
1 173 . 14 1 1 A 21 21 TYR CB C 21 36.667 38.283 -1.616 1
1 184 . 14 1 1 A 21 21 TYR C C 21 178.654 178.150 0.504 1
1 185 . 14 1 1 A 22 22 LEU N N 22 118.954 119.833 -0.879 1
1 186 . 14 1 1 A 22 22 LEU H H 22 7.869 8.365 -0.496 1
1 187 . 14 1 1 A 22 22 LEU CA C 22 57.887 58.380 -0.493 1
1 188 . 14 1 1 A 22 22 LEU HA H 22 4.076 4.139 -0.063 1
1 189 . 14 1 1 A 22 22 LEU CB C 22 42.250 41.585 0.665 1
1 202 . 14 1 1 A 22 22 LEU C C 22 178.877 178.644 0.233 1
1 203 . 14 1 1 A 23 23 TRP N N 23 120.668 120.352 0.316 1
1 204 . 14 1 1 A 23 23 TRP H H 23 7.804 8.000 -0.196 1
1 205 . 14 1 1 A 23 23 TRP CA C 23 60.711 61.209 -0.498 1
1 206 . 14 1 1 A 23 23 TRP HA H 23 4.436 4.122 0.314 1
1 207 . 14 1 1 A 23 23 TRP CB C 23 28.035 29.783 -1.748 1
1 222 . 14 1 1 A 23 23 TRP C C 23 178.471 178.430 0.041 1
1 223 . 14 1 1 A 24 24 VAL N N 24 116.831 119.383 -2.552 1
1 224 . 14 1 1 A 24 24 VAL H H 24 8.503 8.167 0.336 1
1 225 . 14 1 1 A 24 24 VAL CA C 24 66.014 65.945 0.069 1
1 226 . 14 1 1 A 24 24 VAL HA H 24 3.084 2.889 0.195 1
1 227 . 14 1 1 A 24 24 VAL CB C 24 31.826 31.294 0.532 1
1 237 . 14 1 1 A 24 24 VAL C C 24 178.212 177.493 0.719 1
1 238 . 14 1 1 A 25 25 ASP N N 25 117.894 119.484 -1.590 1
1 239 . 14 1 1 A 25 25 ASP H H 25 8.140 8.469 -0.329 1
1 240 . 14 1 1 A 25 25 ASP CA C 25 57.043 56.741 0.302 1
1 241 . 14 1 1 A 25 25 ASP HA H 25 4.290 4.222 0.068 1
1 242 . 14 1 1 A 25 25 ASP CB C 25 41.067 39.916 1.151 1
1 245 . 14 1 1 A 25 25 ASP C C 25 177.163 178.019 -0.856 1
1 246 . 14 1 1 A 26 26 ASN N N 26 114.914 117.778 -2.864 1
1 247 . 14 1 1 A 26 26 ASN H H 26 7.229 7.661 -0.432 1
1 248 . 14 1 1 A 26 26 ASN CA C 26 53.375 55.948 -2.573 1
1 249 . 14 1 1 A 26 26 ASN HA H 26 4.607 4.423 0.184 1
1 250 . 14 1 1 A 26 26 ASN CB C 26 40.048 38.939 1.109 1
1 256 . 14 1 1 A 26 26 ASN C C 26 174.227 175.671 -1.444 1
1 257 . 14 1 1 A 27 27 ILE N N 27 123.268 119.670 3.598 1
1 258 . 14 1 1 A 27 27 ILE H H 27 7.212 6.920 0.292 1
1 259 . 14 1 1 A 27 27 ILE CA C 27 58.327 60.421 -2.094 1
1 260 . 14 1 1 A 27 27 ILE HA H 27 3.628 3.689 -0.061 1
1 261 . 14 1 1 A 27 27 ILE CB C 27 39.403 37.547 1.856 1
1 274 . 14 1 1 A 27 27 ILE C C 27 173.764 174.054 -0.290 1
1 275 . 14 1 1 A 28 28 PRO CA C 28 62.584 62.340 0.244 1
1 276 . 14 1 1 A 28 28 PRO HA H 28 4.354 4.712 -0.358 1
1 277 . 14 1 1 A 28 28 PRO CB C 28 30.056 31.703 -1.647 1
1 286 . 14 1 1 A 28 28 PRO C C 28 175.419 175.769 -0.350 1
1 287 . 14 1 1 A 29 29 LEU N N 29 125.355 125.184 0.171 1
1 288 . 14 1 1 A 29 29 LEU H H 29 8.118 8.707 -0.589 1
1 289 . 14 1 1 A 29 29 LEU CA C 29 53.358 53.740 -0.382 1
1 290 . 14 1 1 A 29 29 LEU HA H 29 4.748 4.628 0.120 1
1 291 . 14 1 1 A 29 29 LEU CB C 29 45.279 44.500 0.779 1
1 304 . 14 1 1 A 29 29 LEU C C 29 178.577 176.635 1.942 1
1 305 . 14 1 1 A 31 31 ARG CA C 31 53.250 54.514 -1.264 1
1 306 . 14 1 1 A 31 31 ARG HA H 31 4.787 4.226 0.561 1
1 307 . 14 1 1 A 31 31 ARG CB C 31 32.107 30.780 1.327 1
1 316 . 14 1 1 A 32 32 PRO CA C 32 62.865 62.221 0.644 1
1 317 . 14 1 1 A 32 32 PRO HA H 32 4.300 4.583 -0.283 1
1 318 . 14 1 1 A 32 32 PRO CB C 32 32.193 33.129 -0.936 1
1 327 . 14 1 1 A 33 33 LYS CA C 33 56.154 55.922 0.232 1
1 328 . 14 1 1 A 33 33 LYS HA H 33 4.361 4.760 -0.399 1
1 329 . 14 1 1 A 33 33 LYS CB C 33 32.368 33.205 -0.837 1
1 341 . 14 1 1 A 34 34 ARG N N 34 122.768 123.501 -0.733 1
1 342 . 14 1 1 A 34 34 ARG H H 34 8.410 8.409 0.001 1
1 343 . 14 1 1 A 34 34 ARG HA H 34 4.336 4.665 -0.329 1
1 344 . 14 1 1 A 34 34 ARG CB C 34 31.894 33.450 -1.556 1
1 349 . 14 1 1 A 35 35 ASN CA C 35 53.153 53.842 -0.689 1
1 350 . 14 1 1 A 35 35 ASN HA H 35 4.771 4.836 -0.065 1
1 351 . 14 1 1 A 35 35 ASN CB C 35 39.425 39.487 -0.062 1
1 357 . 14 1 1 A 36 36 LEU N N 36 110.943 125.916 -14.973 1
1 358 . 14 1 1 A 36 36 LEU H H 36 8.305 8.773 -0.468 1
1 359 . 14 1 1 A 36 36 LEU CA C 36 60.191 57.263 2.928 1
1 360 . 14 1 1 A 36 36 LEU HA H 36 4.140 4.087 0.053 1
1 361 . 14 1 1 A 36 36 LEU CB C 36 41.876 41.998 -0.122 1
1 374 . 14 1 1 A 37 37 SER CA C 37 61.673 61.672 0.001 1
1 375 . 14 1 1 A 37 37 SER HA H 37 4.080 4.076 0.004 1
1 376 . 14 1 1 A 37 37 SER CB C 37 62.700 62.923 -0.223 1
1 379 . 14 1 1 A 38 38 ARG N N 38 119.288 121.484 -2.196 1
1 380 . 14 1 1 A 38 38 ARG H H 38 7.773 8.053 -0.280 1
1 381 . 14 1 1 A 38 38 ARG HA H 38 4.587 4.103 0.484 1
1 384 . 14 1 1 A 39 39 ASP N N 39 121.607 119.196 2.411 1
1 385 . 14 1 1 A 39 39 ASP H H 39 9.487 7.871 1.616 1
1 386 . 14 1 1 A 39 39 ASP CA C 39 58.026 56.260 1.766 1
1 387 . 14 1 1 A 39 39 ASP HA H 39 4.518 4.638 -0.120 1
1 388 . 14 1 1 A 39 39 ASP CB C 39 40.039 41.367 -1.328 1
1 391 . 14 1 1 A 40 40 PHE N N 40 115.310 118.323 -3.013 1
1 392 . 14 1 1 A 40 40 PHE H H 40 8.300 8.845 -0.545 1
1 393 . 14 1 1 A 40 40 PHE CA C 40 59.420 60.590 -1.170 1
1 394 . 14 1 1 A 40 40 PHE HA H 40 4.605 4.276 0.329 1
1 395 . 14 1 1 A 40 40 PHE CB C 40 39.030 38.736 0.294 1
1 408 . 14 1 1 A 41 41 SER N N 41 115.417 115.744 -0.327 1
1 409 . 14 1 1 A 41 41 SER H H 41 7.441 8.842 -1.401 1
1 410 . 14 1 1 A 41 41 SER CA C 41 62.290 61.450 0.840 1
1 411 . 14 1 1 A 41 41 SER HA H 41 4.341 4.488 -0.147 1
1 412 . 14 1 1 A 41 41 SER CB C 41 64.510 62.931 1.579 1
1 415 . 14 1 1 A 42 42 ASP N N 42 117.563 120.932 -3.369 1
1 416 . 14 1 1 A 42 42 ASP H H 42 8.726 8.115 0.611 1
1 417 . 14 1 1 A 42 42 ASP CA C 42 53.746 53.590 0.156 1
1 418 . 14 1 1 A 42 42 ASP HA H 42 4.780 4.718 0.062 1
1 419 . 14 1 1 A 42 42 ASP CB C 42 42.695 41.426 1.269 1
1 422 . 14 1 1 A 42 42 ASP C C 42 176.013 176.641 -0.628 1
1 423 . 14 1 1 A 43 43 GLY N N 43 106.643 111.481 -4.838 1
1 424 . 14 1 1 A 43 43 GLY H H 43 7.388 8.849 -1.461 1
1 425 . 14 1 1 A 43 43 GLY CA C 43 45.230 46.921 -1.691 1
1 426 . 14 1 1 A 43 43 GLY HA2 H 43 3.131 3.026 0.105 1
1 427 . 14 1 1 A 43 43 GLY HA3 H 43 2.588 3.060 -0.472 1
1 428 . 14 1 1 A 43 43 GLY C C 43 173.476 175.371 -1.895 1
1 429 . 14 1 1 A 44 44 VAL N N 44 121.300 122.126 -0.826 1
1 430 . 14 1 1 A 44 44 VAL H H 44 7.874 7.563 0.311 1
1 431 . 14 1 1 A 44 44 VAL CA C 44 67.198 65.846 1.352 1
1 432 . 14 1 1 A 44 44 VAL HA H 44 3.018 3.443 -0.425 1
1 433 . 14 1 1 A 44 44 VAL CB C 44 31.139 31.501 -0.362 1
1 443 . 14 1 1 A 44 44 VAL C C 44 177.853 177.880 -0.027 1
1 444 . 14 1 1 A 45 45 LEU N N 45 114.495 120.729 -6.234 1
1 445 . 14 1 1 A 45 45 LEU H H 45 8.945 8.038 0.907 1
1 446 . 14 1 1 A 45 45 LEU CA C 45 57.466 58.396 -0.930 1
1 447 . 14 1 1 A 45 45 LEU HA H 45 3.838 3.944 -0.106 1
1 448 . 14 1 1 A 45 45 LEU CB C 45 40.503 41.676 -1.173 1
1 461 . 14 1 1 A 45 45 LEU C C 45 179.257 178.297 0.960 1
1 462 . 14 1 1 A 46 46 VAL N N 46 118.354 119.097 -0.743 1
1 463 . 14 1 1 A 46 46 VAL H H 46 7.422 7.287 0.135 1
1 464 . 14 1 1 A 46 46 VAL CA C 46 67.288 66.331 0.957 1
1 465 . 14 1 1 A 46 46 VAL HA H 46 3.469 3.085 0.384 1
1 466 . 14 1 1 A 46 46 VAL CB C 46 30.173 31.339 -1.166 1
1 476 . 14 1 1 A 46 46 VAL C C 46 176.954 177.970 -1.016 1
1 477 . 14 1 1 A 47 47 ALA N N 47 121.963 121.583 0.380 1
1 478 . 14 1 1 A 47 47 ALA H H 47 7.272 7.989 -0.717 1
1 479 . 14 1 1 A 47 47 ALA CA C 47 55.991 55.349 0.642 1
1 480 . 14 1 1 A 47 47 ALA HA H 47 3.576 3.780 -0.204 1
1 481 . 14 1 1 A 47 47 ALA CB C 47 17.292 18.251 -0.959 1
1 485 . 14 1 1 A 47 47 ALA C C 47 178.880 180.031 -1.151 1
1 486 . 14 1 1 A 48 48 GLU N N 48 116.763 118.432 -1.669 1
1 487 . 14 1 1 A 48 48 GLU H H 48 8.081 7.756 0.325 1
1 488 . 14 1 1 A 48 48 GLU CA C 48 60.605 59.343 1.262 1
1 489 . 14 1 1 A 48 48 GLU HA H 48 3.851 3.993 -0.142 1
1 490 . 14 1 1 A 48 48 GLU CB C 48 30.467 29.445 1.022 1
1 496 . 14 1 1 A 48 48 GLU C C 48 180.175 179.468 0.707 1
1 497 . 14 1 1 A 49 49 VAL N N 49 122.024 120.055 1.969 1
1 498 . 14 1 1 A 49 49 VAL H H 49 8.325 7.611 0.714 1
1 499 . 14 1 1 A 49 49 VAL CA C 49 67.146 65.380 1.766 1
1 500 . 14 1 1 A 49 49 VAL HA H 49 3.530 3.650 -0.120 1
1 501 . 14 1 1 A 49 49 VAL CB C 49 31.543 31.709 -0.166 1
1 511 . 14 1 1 A 49 49 VAL C C 49 177.168 178.557 -1.389 1
1 512 . 14 1 1 A 50 50 ILE N N 50 117.821 120.943 -3.122 1
1 513 . 14 1 1 A 50 50 ILE H H 50 7.947 7.655 0.292 1
1 514 . 14 1 1 A 50 50 ILE CA C 50 66.217 64.417 1.800 1
1 515 . 14 1 1 A 50 50 ILE HA H 50 3.757 4.041 -0.284 1
1 516 . 14 1 1 A 50 50 ILE CB C 50 37.952 37.673 0.279 1
1 529 . 14 1 1 A 50 50 ILE C C 50 177.890 177.816 0.074 1
1 530 . 14 1 1 A 51 51 LYS N N 51 121.589 121.085 0.504 1
1 531 . 14 1 1 A 51 51 LYS H H 51 8.790 7.938 0.852 1
1 532 . 14 1 1 A 51 51 LYS CA C 51 58.277 59.633 -1.356 1
1 533 . 14 1 1 A 51 51 LYS HA H 51 3.816 4.140 -0.324 1
1 534 . 14 1 1 A 51 51 LYS CB C 51 32.898 32.503 0.395 1
1 546 . 14 1 1 A 51 51 LYS C C 51 176.668 178.499 -1.831 1
1 547 . 14 1 1 A 52 52 PHE N N 52 117.622 120.421 -2.799 1
1 548 . 14 1 1 A 52 52 PHE H H 52 7.768 7.630 0.138 1
1 549 . 14 1 1 A 52 52 PHE CA C 52 60.585 61.472 -0.887 1
1 550 . 14 1 1 A 52 52 PHE HA H 52 4.090 4.001 0.089 1
1 551 . 14 1 1 A 52 52 PHE CB C 52 38.775 38.563 0.212 1
1 564 . 14 1 1 A 52 52 PHE C C 52 176.831 176.654 0.177 1
1 565 . 14 1 1 A 53 53 TYR N N 53 115.876 116.412 -0.536 1
1 566 . 14 1 1 A 53 53 TYR H H 53 7.346 7.664 -0.318 1
1 567 . 14 1 1 A 53 53 TYR CA C 53 61.264 60.260 1.004 1
1 568 . 14 1 1 A 53 53 TYR HA H 53 3.697 3.997 -0.300 1
1 569 . 14 1 1 A 53 53 TYR CB C 53 41.522 38.128 3.394 1
1 580 . 14 1 1 A 53 53 TYR C C 53 175.972 174.945 1.027 1
1 581 . 14 1 1 A 54 54 PHE N N 54 116.478 115.952 0.526 1
1 582 . 14 1 1 A 54 54 PHE H H 54 8.877 8.238 0.639 1
1 583 . 14 1 1 A 54 54 PHE CA C 54 55.553 55.274 0.279 1
1 584 . 14 1 1 A 54 54 PHE HA H 54 5.173 5.063 0.110 1
1 585 . 14 1 1 A 54 54 PHE CB C 54 40.841 40.983 -0.142 1
1 598 . 14 1 1 A 54 54 PHE C C 54 173.424 174.883 -1.459 1
1 599 . 14 1 1 A 55 55 PRO CA C 55 65.147 65.543 -0.396 1
1 600 . 14 1 1 A 55 55 PRO HA H 55 4.591 4.358 0.233 1
1 601 . 14 1 1 A 55 55 PRO CB C 55 32.014 31.918 0.096 1
1 610 . 14 1 1 A 55 55 PRO C C 55 179.255 179.188 0.067 1
1 611 . 14 1 1 A 56 56 LYS N N 56 113.672 118.638 -4.966 1
1 612 . 14 1 1 A 56 56 LYS H H 56 8.639 8.319 0.320 1
1 613 . 14 1 1 A 56 56 LYS CA C 56 56.918 59.696 -2.778 1
1 614 . 14 1 1 A 56 56 LYS HA H 56 4.384 4.015 0.369 1
1 615 . 14 1 1 A 56 56 LYS CB C 56 31.868 32.255 -0.387 1
1 627 . 14 1 1 A 56 56 LYS C C 56 178.220 179.665 -1.445 1
1 628 . 14 1 1 A 57 57 MET N N 57 116.692 119.355 -2.663 1
1 629 . 14 1 1 A 57 57 MET H H 57 8.099 8.212 -0.113 1
1 630 . 14 1 1 A 57 57 MET CA C 57 57.537 58.482 -0.945 1
1 631 . 14 1 1 A 57 57 MET HA H 57 4.260 4.242 0.018 1
1 632 . 14 1 1 A 57 57 MET CB C 57 35.400 32.226 3.174 1
1 642 . 14 1 1 A 57 57 MET C C 57 174.856 177.069 -2.213 1
1 643 . 14 1 1 A 58 58 VAL N N 58 114.727 118.543 -3.816 1
1 644 . 14 1 1 A 58 58 VAL H H 58 6.872 7.930 -1.058 1
1 645 . 14 1 1 A 58 58 VAL CA C 58 60.834 62.535 -1.701 1
1 646 . 14 1 1 A 58 58 VAL HA H 58 4.421 4.196 0.225 1
1 647 . 14 1 1 A 58 58 VAL CB C 58 36.223 32.819 3.404 1
1 657 . 14 1 1 A 58 58 VAL C C 58 173.747 175.289 -1.542 1
1 658 . 14 1 1 A 59 59 GLU N N 59 127.314 127.465 -0.151 1
1 659 . 14 1 1 A 59 59 GLU H H 59 8.783 9.132 -0.349 1
1 660 . 14 1 1 A 59 59 GLU CA C 59 54.465 55.202 -0.737 1
1 661 . 14 1 1 A 59 59 GLU HA H 59 4.671 4.893 -0.222 1
1 662 . 14 1 1 A 59 59 GLU CB C 59 30.020 30.842 -0.822 1
1 668 . 14 1 1 A 59 59 GLU C C 59 176.450 175.891 0.559 1
1 669 . 14 1 1 A 60 60 MET N N 60 122.273 125.701 -3.428 1
1 670 . 14 1 1 A 60 60 MET H H 60 9.004 8.941 0.063 1
1 671 . 14 1 1 A 60 60 MET CA C 60 55.751 54.733 1.018 1
1 672 . 14 1 1 A 60 60 MET HA H 60 4.613 4.815 -0.202 1
1 673 . 14 1 1 A 60 60 MET CB C 60 29.356 33.169 -3.813 1
1 683 . 14 1 1 A 60 60 MET C C 60 178.387 176.571 1.816 1
1 684 . 14 1 1 A 61 61 HIS N N 61 115.823 119.141 -3.318 1
1 685 . 14 1 1 A 61 61 HIS H H 61 8.198 8.115 0.083 1
1 686 . 14 1 1 A 61 61 HIS CA C 61 57.963 58.043 -0.080 1
1 687 . 14 1 1 A 61 61 HIS HA H 61 4.341 4.401 -0.060 1
1 688 . 14 1 1 A 61 61 HIS CB C 61 29.235 30.805 -1.570 1
1 695 . 14 1 1 A 61 61 HIS C C 61 175.800 176.914 -1.114 1
1 696 . 14 1 1 A 62 62 ASN N N 62 115.093 113.661 1.432 1
1 697 . 14 1 1 A 62 62 ASN H H 62 6.895 7.922 -1.027 1
1 698 . 14 1 1 A 62 62 ASN CA C 62 54.503 55.007 -0.504 1
1 699 . 14 1 1 A 62 62 ASN HA H 62 3.872 4.484 -0.612 1
1 700 . 14 1 1 A 62 62 ASN CB C 62 38.749 39.197 -0.448 1
1 706 . 14 1 1 A 62 62 ASN C C 62 173.014 175.150 -2.136 1
1 707 . 14 1 1 A 63 63 TYR N N 63 118.560 119.321 -0.761 1
1 708 . 14 1 1 A 63 63 TYR H H 63 7.255 7.407 -0.152 1
1 709 . 14 1 1 A 63 63 TYR CA C 63 56.311 59.161 -2.850 1
1 710 . 14 1 1 A 63 63 TYR HA H 63 4.481 4.750 -0.269 1
1 711 . 14 1 1 A 63 63 TYR CB C 63 39.138 39.449 -0.311 1
1 722 . 14 1 1 A 63 63 TYR C C 63 173.223 176.180 -2.957 1
1 723 . 14 1 1 A 64 64 VAL N N 64 122.318 121.645 0.673 1
1 724 . 14 1 1 A 64 64 VAL H H 64 7.750 8.648 -0.898 1
1 725 . 14 1 1 A 64 64 VAL CA C 64 58.601 59.003 -0.402 1
1 726 . 14 1 1 A 64 64 VAL HA H 64 4.469 4.655 -0.186 1
1 727 . 14 1 1 A 64 64 VAL CB C 64 33.747 35.563 -1.816 1
1 737 . 14 1 1 A 64 64 VAL C C 64 173.983 173.774 0.209 1
1 738 . 14 1 1 A 65 65 PRO CA C 65 63.212 62.611 0.601 1
1 739 . 14 1 1 A 65 65 PRO HA H 65 4.348 4.799 -0.451 1
1 740 . 14 1 1 A 65 65 PRO CB C 65 31.279 31.735 -0.456 1
1 749 . 14 1 1 A 65 65 PRO C C 65 176.821 176.536 0.285 1
1 750 . 14 1 1 A 66 66 ALA N N 66 125.896 123.304 2.592 1
1 751 . 14 1 1 A 66 66 ALA H H 66 8.563 8.266 0.297 1
1 752 . 14 1 1 A 66 66 ALA CA C 66 52.003 50.996 1.007 1
1 753 . 14 1 1 A 66 66 ALA HA H 66 4.651 4.923 -0.272 1
1 754 . 14 1 1 A 66 66 ALA CB C 66 24.137 24.237 -0.100 1
1 758 . 14 1 1 A 66 66 ALA C C 66 176.244 176.003 0.241 1
1 759 . 14 1 1 A 67 67 ASN CA C 67 52.862 52.180 0.682 1
1 760 . 14 1 1 A 67 67 ASN HA H 67 4.988 5.086 -0.098 1
1 761 . 14 1 1 A 67 67 ASN CB C 67 40.168 39.035 1.133 1
1 767 . 14 1 1 A 67 67 ASN C C 67 174.896 175.110 -0.214 1
1 768 . 14 1 1 A 68 68 SER N N 68 114.553 114.418 0.135 1
1 769 . 14 1 1 A 68 68 SER H H 68 7.777 7.624 0.153 1
1 770 . 14 1 1 A 68 68 SER CA C 68 56.741 57.468 -0.727 1
1 771 . 14 1 1 A 68 68 SER HA H 68 4.737 4.783 -0.046 1
1 772 . 14 1 1 A 68 68 SER CB C 68 65.267 65.140 0.127 1
1 775 . 14 1 1 A 68 68 SER C C 68 174.542 174.264 0.278 1
1 776 . 14 1 1 A 69 69 LEU CA C 69 59.000 58.246 0.754 1
1 777 . 14 1 1 A 69 69 LEU HA H 69 3.961 3.936 0.025 1
1 778 . 14 1 1 A 69 69 LEU CB C 69 41.679 42.058 -0.379 1
1 791 . 14 1 1 A 69 69 LEU C C 69 178.629 178.441 0.188 1
1 792 . 14 1 1 A 70 70 GLN N N 70 115.924 117.269 -1.345 1
1 793 . 14 1 1 A 70 70 GLN H H 70 8.785 8.308 0.477 1
1 794 . 14 1 1 A 70 70 GLN CA C 70 59.728 58.577 1.151 1
1 795 . 14 1 1 A 70 70 GLN HA H 70 3.977 4.102 -0.125 1
1 796 . 14 1 1 A 70 70 GLN CB C 70 27.912 28.274 -0.362 1
1 805 . 14 1 1 A 70 70 GLN C C 70 178.954 177.915 1.039 1
1 806 . 14 1 1 A 71 71 GLN N N 71 118.694 119.003 -0.309 1
1 807 . 14 1 1 A 71 71 GLN H H 71 7.780 7.930 -0.150 1
1 808 . 14 1 1 A 71 71 GLN CA C 71 58.233 59.044 -0.811 1
1 809 . 14 1 1 A 71 71 GLN HA H 71 4.219 4.013 0.206 1
1 810 . 14 1 1 A 71 71 GLN CB C 71 29.089 28.154 0.935 1
1 819 . 14 1 1 A 71 71 GLN C C 71 178.724 178.510 0.214 1
1 820 . 14 1 1 A 72 72 LYS N N 72 119.661 118.477 1.184 1
1 821 . 14 1 1 A 72 72 LYS H H 72 8.094 8.018 0.076 1
1 822 . 14 1 1 A 72 72 LYS CA C 72 61.528 59.372 2.156 1
1 823 . 14 1 1 A 72 72 LYS HA H 72 4.206 4.088 0.118 1
1 824 . 14 1 1 A 72 72 LYS CB C 72 33.806 32.460 1.346 1
1 836 . 14 1 1 A 72 72 LYS C C 72 179.041 179.649 -0.608 1
1 837 . 14 1 1 A 73 73 LEU N N 73 117.098 120.750 -3.652 1
1 838 . 14 1 1 A 73 73 LEU H H 73 8.602 8.232 0.370 1
1 839 . 14 1 1 A 73 73 LEU CA C 73 58.118 57.971 0.147 1
1 840 . 14 1 1 A 73 73 LEU HA H 73 4.287 4.088 0.199 1
1 841 . 14 1 1 A 73 73 LEU CB C 73 40.831 41.296 -0.465 1
1 854 . 14 1 1 A 73 73 LEU C C 73 180.838 179.019 1.819 1
1 855 . 14 1 1 A 74 74 SER N N 74 118.060 113.845 4.215 1
1 856 . 14 1 1 A 74 74 SER H H 74 8.334 8.218 0.116 1
1 857 . 14 1 1 A 74 74 SER CA C 74 61.971 61.609 0.362 1
1 858 . 14 1 1 A 74 74 SER HA H 74 4.431 3.999 0.432 1
1 859 . 14 1 1 A 74 74 SER CB C 74 62.560 62.958 -0.398 1
1 862 . 14 1 1 A 74 74 SER C C 74 177.493 177.278 0.215 1
1 863 . 14 1 1 A 75 75 ASN N N 75 121.688 119.049 2.639 1
1 864 . 14 1 1 A 75 75 ASN H H 75 8.266 7.923 0.343 1
1 865 . 14 1 1 A 75 75 ASN CA C 75 56.090 56.496 -0.406 1
1 866 . 14 1 1 A 75 75 ASN HA H 75 4.739 4.452 0.287 1
1 867 . 14 1 1 A 75 75 ASN CB C 75 38.184 38.347 -0.163 1
1 873 . 14 1 1 A 75 75 ASN C C 75 177.792 178.052 -0.260 1
1 874 . 14 1 1 A 76 76 TRP N N 76 118.943 120.056 -1.113 1
1 875 . 14 1 1 A 76 76 TRP H H 76 8.510 8.362 0.148 1
1 876 . 14 1 1 A 76 76 TRP CA C 76 62.294 59.165 3.129 1
1 877 . 14 1 1 A 76 76 TRP HA H 76 4.173 4.144 0.029 1
1 878 . 14 1 1 A 76 76 TRP CB C 76 29.223 29.068 0.155 1
1 893 . 14 1 1 A 76 76 TRP C C 76 178.579 179.103 -0.524 1
1 894 . 14 1 1 A 77 77 GLY N N 77 107.789 107.741 0.048 1
1 895 . 14 1 1 A 77 77 GLY H H 77 8.954 8.832 0.122 1
1 896 . 14 1 1 A 77 77 GLY CA C 77 47.600 47.294 0.306 1
1 897 . 14 1 1 A 77 77 GLY HA2 H 77 4.122 3.727 0.395 1
1 898 . 14 1 1 A 77 77 GLY HA3 H 77 3.977 3.801 0.176 1
1 899 . 14 1 1 A 77 77 GLY C C 77 176.076 176.702 -0.626 1
1 900 . 14 1 1 A 78 78 HIS N N 78 122.925 120.164 2.761 1
1 901 . 14 1 1 A 78 78 HIS H H 78 8.127 7.951 0.176 1
1 902 . 14 1 1 A 78 78 HIS CA C 78 61.550 58.429 3.121 1
1 903 . 14 1 1 A 78 78 HIS HA H 78 4.206 4.854 -0.648 1
1 904 . 14 1 1 A 78 78 HIS CB C 78 30.794 29.520 1.274 1
1 911 . 14 1 1 A 78 78 HIS C C 78 177.572 178.055 -0.483 1
1 912 . 14 1 1 A 79 79 LEU N N 79 120.009 120.862 -0.853 1
1 913 . 14 1 1 A 79 79 LEU H H 79 8.726 8.120 0.606 1
1 914 . 14 1 1 A 79 79 LEU CA C 79 58.252 57.928 0.324 1
1 915 . 14 1 1 A 79 79 LEU HA H 79 4.227 4.300 -0.073 1
1 916 . 14 1 1 A 79 79 LEU CB C 79 43.075 41.215 1.860 1
1 929 . 14 1 1 A 79 79 LEU C C 79 181.067 178.853 2.214 1
1 930 . 14 1 1 A 80 80 ASN N N 80 119.257 117.260 1.997 1
1 931 . 14 1 1 A 80 80 ASN H H 80 9.270 8.094 1.176 1
1 932 . 14 1 1 A 80 80 ASN CA C 80 57.279 56.087 1.192 1
1 933 . 14 1 1 A 80 80 ASN HA H 80 4.595 4.598 -0.003 1
1 934 . 14 1 1 A 80 80 ASN CB C 80 40.403 38.721 1.682 1
1 940 . 14 1 1 A 80 80 ASN C C 80 177.177 176.546 0.631 1
1 941 . 14 1 1 A 81 81 ARG N N 81 115.731 117.230 -1.499 1
1 942 . 14 1 1 A 81 81 ARG H H 81 8.085 8.130 -0.045 1
1 943 . 14 1 1 A 81 81 ARG CA C 81 59.249 55.779 3.470 1
1 944 . 14 1 1 A 81 81 ARG HA H 81 4.167 4.649 -0.482 1
1 945 . 14 1 1 A 81 81 ARG CB C 81 31.579 31.136 0.443 1
1 954 . 14 1 1 A 81 81 ARG C C 81 177.890 176.775 1.115 1
1 955 . 14 1 1 A 82 82 LYS N N 82 113.840 117.445 -3.605 1
1 956 . 14 1 1 A 82 82 LYS H H 82 8.691 7.694 0.997 1
1 957 . 14 1 1 A 82 82 LYS CA C 82 56.216 56.971 -0.755 1
1 958 . 14 1 1 A 82 82 LYS HA H 82 4.441 4.426 0.015 1
1 959 . 14 1 1 A 82 82 LYS CB C 82 32.964 34.251 -1.287 1
1 971 . 14 1 1 A 82 82 LYS C C 82 177.543 177.387 0.156 1
1 972 . 14 1 1 A 83 83 VAL N N 83 117.873 118.868 -0.995 1
1 973 . 14 1 1 A 83 83 VAL H H 83 7.786 8.269 -0.483 1
1 974 . 14 1 1 A 83 83 VAL CA C 83 64.939 64.396 0.543 1
1 975 . 14 1 1 A 83 83 VAL HA H 83 4.235 4.140 0.095 1
1 976 . 14 1 1 A 83 83 VAL CB C 83 34.046 31.985 2.061 1
1 986 . 14 1 1 A 83 83 VAL C C 83 176.945 177.853 -0.908 1
1 987 . 14 1 1 A 84 84 LEU N N 84 118.163 119.665 -1.502 1
1 988 . 14 1 1 A 84 84 LEU H H 84 9.200 8.006 1.194 1
1 989 . 14 1 1 A 84 84 LEU CA C 84 58.824 58.305 0.519 1
1 990 . 14 1 1 A 84 84 LEU HA H 84 3.898 3.999 -0.101 1
1 991 . 14 1 1 A 84 84 LEU CB C 84 38.418 41.801 -3.383 1
1 1004 . 14 1 1 A 84 84 LEU C C 84 179.874 178.830 1.044 1
1 1005 . 14 1 1 A 85 85 LYS N N 85 117.114 119.105 -1.991 1
1 1006 . 14 1 1 A 85 85 LYS H H 85 7.303 7.850 -0.547 1
1 1007 . 14 1 1 A 85 85 LYS CA C 85 59.436 59.964 -0.528 1
1 1008 . 14 1 1 A 85 85 LYS HA H 85 4.191 3.978 0.213 1
1 1009 . 14 1 1 A 85 85 LYS CB C 85 33.096 32.529 0.567 1
1 1021 . 14 1 1 A 85 85 LYS C C 85 180.286 178.948 1.338 1
1 1022 . 14 1 1 A 86 86 ARG N N 86 117.181 119.499 -2.318 1
1 1023 . 14 1 1 A 86 86 ARG H H 86 7.216 8.232 -1.016 1
1 1024 . 14 1 1 A 86 86 ARG CA C 86 57.924 59.103 -1.179 1
1 1025 . 14 1 1 A 86 86 ARG HA H 86 4.191 4.123 0.068 1
1 1026 . 14 1 1 A 86 86 ARG CB C 86 29.848 30.211 -0.363 1
1 1035 . 14 1 1 A 86 86 ARG C C 86 177.047 178.071 -1.024 1
1 1036 . 14 1 1 A 87 87 LEU N N 87 118.282 117.854 0.428 1
1 1037 . 14 1 1 A 87 87 LEU H H 87 7.584 8.200 -0.616 1
1 1038 . 14 1 1 A 87 87 LEU CA C 87 53.603 54.669 -1.066 1
1 1039 . 14 1 1 A 87 87 LEU HA H 87 4.339 4.424 -0.085 1
1 1040 . 14 1 1 A 87 87 LEU CB C 87 42.059 41.947 0.112 1
1 1053 . 14 1 1 A 87 87 LEU C C 87 175.182 176.120 -0.938 1
1 1054 . 14 1 1 A 88 88 ASN N N 88 115.016 117.477 -2.461 1
1 1055 . 14 1 1 A 88 88 ASN H H 88 7.932 7.995 -0.063 1
1 1056 . 14 1 1 A 88 88 ASN CA C 88 54.081 54.070 0.011 1
1 1057 . 14 1 1 A 88 88 ASN HA H 88 4.384 4.410 -0.026 1
1 1058 . 14 1 1 A 88 88 ASN CB C 88 36.809 37.302 -0.493 1
1 1064 . 14 1 1 A 88 88 ASN C C 88 173.426 174.667 -1.241 1
1 1065 . 14 1 1 A 89 89 PHE N N 89 119.795 118.886 0.909 1
1 1066 . 14 1 1 A 89 89 PHE H H 89 7.739 7.891 -0.152 1
1 1067 . 14 1 1 A 89 89 PHE CA C 89 56.231 57.225 -0.994 1
1 1068 . 14 1 1 A 89 89 PHE HA H 89 4.887 4.884 0.003 1
1 1069 . 14 1 1 A 89 89 PHE CB C 89 43.188 42.188 1.000 1
1 1082 . 14 1 1 A 89 89 PHE C C 89 172.386 174.157 -1.771 1
1 1083 . 14 1 1 A 90 90 SER N N 90 117.020 116.799 0.221 1
1 1084 . 14 1 1 A 90 90 SER H H 90 7.301 8.010 -0.709 1
1 1085 . 14 1 1 A 90 90 SER CA C 90 56.762 57.175 -0.413 1
1 1086 . 14 1 1 A 90 90 SER HA H 90 4.667 5.217 -0.550 1
1 1087 . 14 1 1 A 90 90 SER CB C 90 64.885 65.972 -1.087 1
1 1090 . 14 1 1 A 90 90 SER C C 90 172.726 172.416 0.310 1
1 1091 . 14 1 1 A 91 91 VAL N N 91 126.604 122.477 4.127 1
1 1092 . 14 1 1 A 91 91 VAL H H 91 8.959 8.778 0.181 1
1 1093 . 14 1 1 A 91 91 VAL CA C 91 59.173 58.981 0.192 1
1 1094 . 14 1 1 A 91 91 VAL HA H 91 4.336 4.595 -0.259 1
1 1095 . 14 1 1 A 91 91 VAL CB C 91 33.703 35.666 -1.963 1
1 1105 . 14 1 1 A 91 91 VAL C C 91 173.886 173.700 0.186 1
1 1106 . 14 1 1 A 92 92 PRO CA C 92 62.618 62.603 0.015 1
1 1107 . 14 1 1 A 92 92 PRO HA H 92 4.481 4.621 -0.140 1
1 1108 . 14 1 1 A 92 92 PRO CB C 92 33.302 32.694 0.608 1
1 1117 . 14 1 1 A 92 92 PRO C C 92 177.410 176.995 0.415 1
1 1118 . 14 1 1 A 93 93 ASP N N 93 123.319 121.979 1.340 1
1 1119 . 14 1 1 A 93 93 ASP H H 93 8.854 8.705 0.149 1
1 1120 . 14 1 1 A 93 93 ASP CA C 93 58.347 57.425 0.922 1
1 1121 . 14 1 1 A 93 93 ASP HA H 93 4.298 4.314 -0.016 1
1 1122 . 14 1 1 A 93 93 ASP CB C 93 40.916 40.618 0.298 1
1 1125 . 14 1 1 A 93 93 ASP C C 93 178.221 178.017 0.204 1
1 1126 . 14 1 1 A 94 94 ASP N N 94 116.740 119.081 -2.341 1
1 1127 . 14 1 1 A 94 94 ASP H H 94 8.955 8.097 0.858 1
1 1128 . 14 1 1 A 94 94 ASP CA C 94 56.851 57.334 -0.483 1
1 1129 . 14 1 1 A 94 94 ASP HA H 94 4.222 4.249 -0.027 1
1 1130 . 14 1 1 A 94 94 ASP CB C 94 39.733 40.645 -0.912 1
1 1133 . 14 1 1 A 94 94 ASP C C 94 178.344 178.757 -0.413 1
1 1134 . 14 1 1 A 95 95 VAL N N 95 121.559 119.737 1.822 1
1 1135 . 14 1 1 A 95 95 VAL H H 95 6.935 8.060 -1.125 1
1 1136 . 14 1 1 A 95 95 VAL CA C 95 66.007 66.363 -0.356 1
1 1137 . 14 1 1 A 95 95 VAL HA H 95 3.378 3.548 -0.170 1
1 1138 . 14 1 1 A 95 95 VAL CB C 95 31.712 31.250 0.462 1
1 1148 . 14 1 1 A 95 95 VAL C C 95 177.153 177.648 -0.495 1
1 1149 . 14 1 1 A 96 96 MET N N 96 118.492 117.401 1.091 1
1 1150 . 14 1 1 A 96 96 MET H H 96 7.993 7.933 0.060 1
1 1151 . 14 1 1 A 96 96 MET CA C 96 60.318 58.759 1.559 1
1 1152 . 14 1 1 A 96 96 MET HA H 96 3.037 3.767 -0.730 1
1 1153 . 14 1 1 A 96 96 MET CB C 96 33.348 32.415 0.933 1
1 1163 . 14 1 1 A 96 96 MET C C 96 176.993 178.677 -1.684 1
1 1164 . 14 1 1 A 97 97 ARG N N 97 116.593 118.837 -2.244 1
1 1165 . 14 1 1 A 97 97 ARG H H 97 7.668 7.987 -0.319 1
1 1166 . 14 1 1 A 97 97 ARG CA C 97 60.372 59.875 0.497 1
1 1167 . 14 1 1 A 97 97 ARG HA H 97 3.772 3.847 -0.075 1
1 1168 . 14 1 1 A 97 97 ARG CB C 97 29.627 30.090 -0.463 1
1 1177 . 14 1 1 A 97 97 ARG C C 97 177.718 179.085 -1.367 1
1 1178 . 14 1 1 A 98 98 LYS N N 98 118.000 119.297 -1.297 1
1 1179 . 14 1 1 A 98 98 LYS H H 98 7.279 7.488 -0.209 1
1 1180 . 14 1 1 A 98 98 LYS CA C 98 59.942 58.962 0.980 1
1 1181 . 14 1 1 A 98 98 LYS HA H 98 4.035 3.967 0.068 1
1 1182 . 14 1 1 A 98 98 LYS CB C 98 33.307 32.559 0.748 1
1 1194 . 14 1 1 A 98 98 LYS C C 98 178.861 178.942 -0.081 1
1 1195 . 14 1 1 A 99 99 ILE N N 99 119.736 120.922 -1.186 1
1 1196 . 14 1 1 A 99 99 ILE H H 99 8.298 7.837 0.461 1
1 1197 . 14 1 1 A 99 99 ILE CA C 99 65.451 65.478 -0.027 1
1 1198 . 14 1 1 A 99 99 ILE HA H 99 3.473 3.499 -0.026 1
1 1199 . 14 1 1 A 99 99 ILE CB C 99 38.088 37.141 0.947 1
1 1212 . 14 1 1 A 99 99 ILE C C 99 181.472 177.841 3.631 1
1 1213 . 14 1 1 A 100 100 ALA N N 100 124.832 121.218 3.614 1
1 1214 . 14 1 1 A 100 100 ALA H H 100 8.473 7.746 0.727 1
1 1215 . 14 1 1 A 100 100 ALA CA C 100 54.623 54.168 0.455 1
1 1216 . 14 1 1 A 100 100 ALA HA H 100 4.481 4.158 0.323 1
1 1217 . 14 1 1 A 100 100 ALA CB C 100 19.106 18.162 0.944 1
1 1221 . 14 1 1 A 100 100 ALA C C 100 177.755 178.720 -0.965 1
1 1222 . 14 1 1 A 101 101 GLN N N 101 113.891 115.250 -1.359 1
1 1223 . 14 1 1 A 101 101 GLN H H 101 7.665 7.594 0.071 1
1 1224 . 14 1 1 A 101 101 GLN CA C 101 55.681 55.216 0.465 1
1 1225 . 14 1 1 A 101 101 GLN HA H 101 4.378 4.455 -0.077 1
1 1226 . 14 1 1 A 101 101 GLN CB C 101 28.879 28.591 0.288 1
1 1235 . 14 1 1 A 101 101 GLN C C 101 175.604 175.221 0.383 1
1 1236 . 14 1 1 A 102 102 CYS N N 102 114.274 117.163 -2.889 1
1 1237 . 14 1 1 A 102 102 CYS H H 102 8.300 7.799 0.501 1
1 1238 . 14 1 1 A 102 102 CYS CA C 102 58.700 59.912 -1.212 1
1 1239 . 14 1 1 A 102 102 CYS HA H 102 4.030 4.175 -0.145 1
1 1240 . 14 1 1 A 102 102 CYS CB C 102 24.987 25.526 -0.539 1
1 1243 . 14 1 1 A 102 102 CYS C C 102 174.186 173.871 0.315 1
1 1244 . 14 1 1 A 103 103 ALA N N 103 123.512 124.324 -0.812 1
1 1245 . 14 1 1 A 103 103 ALA H H 103 8.175 7.308 0.867 1
1 1246 . 14 1 1 A 103 103 ALA CA C 103 50.841 49.923 0.918 1
1 1247 . 14 1 1 A 103 103 ALA HA H 103 4.458 4.515 -0.057 1
1 1248 . 14 1 1 A 103 103 ALA CB C 103 18.353 19.788 -1.435 1
1 1252 . 14 1 1 A 103 103 ALA C C 103 175.904 176.185 -0.281 1
1 1253 . 14 1 1 A 104 104 PRO CA C 104 64.290 63.735 0.555 1
1 1254 . 14 1 1 A 104 104 PRO HA H 104 4.315 4.332 -0.017 1
1 1255 . 14 1 1 A 104 104 PRO CB C 104 32.028 31.368 0.660 1
1 1264 . 14 1 1 A 104 104 PRO C C 104 178.173 177.475 0.698 1
1 1265 . 14 1 1 A 105 105 GLY N N 105 113.466 112.014 1.452 1
1 1266 . 14 1 1 A 105 105 GLY H H 105 9.036 8.750 0.286 1
1 1267 . 14 1 1 A 105 105 GLY CA C 105 45.935 45.674 0.261 1
1 1268 . 14 1 1 A 105 105 GLY HA2 H 105 4.044 3.919 0.125 1
1 1269 . 14 1 1 A 105 105 GLY HA3 H 105 3.832 3.940 -0.108 1
1 1270 . 14 1 1 A 105 105 GLY C C 105 174.928 175.798 -0.870 1
1 1271 . 14 1 1 A 106 106 VAL N N 106 117.991 120.947 -2.956 1
1 1272 . 14 1 1 A 106 106 VAL H H 106 6.964 7.948 -0.984 1
1 1273 . 14 1 1 A 106 106 VAL CA C 106 66.071 66.030 0.041 1
1 1274 . 14 1 1 A 106 106 VAL HA H 106 3.842 3.737 0.105 1
1 1275 . 14 1 1 A 106 106 VAL CB C 106 31.337 31.549 -0.212 1
1 1285 . 14 1 1 A 106 106 VAL C C 106 178.061 177.689 0.372 1
1 1286 . 14 1 1 A 107 107 VAL N N 107 121.474 120.594 0.880 1
1 1287 . 14 1 1 A 107 107 VAL H H 107 9.039 8.103 0.936 1
1 1288 . 14 1 1 A 107 107 VAL CA C 107 65.971 64.897 1.074 1
1 1289 . 14 1 1 A 107 107 VAL HA H 107 3.743 3.723 0.020 1
1 1290 . 14 1 1 A 107 107 VAL CB C 107 30.959 31.345 -0.386 1
1 1300 . 14 1 1 A 107 107 VAL C C 107 177.629 177.242 0.387 1
1 1301 . 14 1 1 A 108 108 GLU N N 108 126.242 121.985 4.257 1
1 1302 . 14 1 1 A 108 108 GLU H H 108 11.107 8.183 2.924 1
1 1303 . 14 1 1 A 108 108 GLU CA C 108 62.429 59.328 3.101 1
1 1304 . 14 1 1 A 108 108 GLU HA H 108 3.584 4.078 -0.494 1
1 1305 . 14 1 1 A 108 108 GLU CB C 108 28.863 29.770 -0.907 1
1 1311 . 14 1 1 A 108 108 GLU C C 108 176.878 179.578 -2.700 1
1 1312 . 14 1 1 A 109 109 LEU N N 109 114.111 120.033 -5.922 1
1 1313 . 14 1 1 A 109 109 LEU H H 109 7.474 8.504 -1.030 1
1 1314 . 14 1 1 A 109 109 LEU CA C 109 56.293 57.770 -1.477 1
1 1315 . 14 1 1 A 109 109 LEU HA H 109 4.024 4.068 -0.044 1
1 1316 . 14 1 1 A 109 109 LEU CB C 109 40.846 41.664 -0.818 1
1 1329 . 14 1 1 A 109 109 LEU C C 109 178.647 178.953 -0.306 1
1 1330 . 14 1 1 A 110 110 VAL N N 110 116.984 118.668 -1.684 1
1 1331 . 14 1 1 A 110 110 VAL H H 110 7.557 7.384 0.173 1
1 1332 . 14 1 1 A 110 110 VAL CA C 110 64.274 64.953 -0.679 1
1 1333 . 14 1 1 A 110 110 VAL HA H 110 4.206 4.005 0.201 1
1 1334 . 14 1 1 A 110 110 VAL CB C 110 33.070 31.938 1.132 1
1 1344 . 14 1 1 A 110 110 VAL C C 110 176.435 177.863 -1.428 1
1 1345 . 14 1 1 A 111 111 LEU N N 111 118.461 119.934 -1.473 1
1 1346 . 14 1 1 A 111 111 LEU H H 111 8.453 7.805 0.648 1
1 1347 . 14 1 1 A 111 111 LEU CA C 111 58.047 57.909 0.138 1
1 1348 . 14 1 1 A 111 111 LEU HA H 111 4.003 4.135 -0.132 1
1 1349 . 14 1 1 A 111 111 LEU CB C 111 43.552 41.739 1.813 1
1 1362 . 14 1 1 A 111 111 LEU C C 111 177.274 179.028 -1.754 1
1 1363 . 14 1 1 A 112 112 ILE N N 112 115.835 119.133 -3.298 1
1 1364 . 14 1 1 A 112 112 ILE H H 112 7.850 8.123 -0.273 1
1 1365 . 14 1 1 A 112 112 ILE CA C 112 67.843 66.576 1.267 1
1 1366 . 14 1 1 A 112 112 ILE HA H 112 3.636 3.601 0.035 1
1 1367 . 14 1 1 A 112 112 ILE CB C 112 36.504 36.544 -0.040 1
1 1380 . 14 1 1 A 112 112 ILE C C 112 176.487 175.219 1.268 1
1 1381 . 14 1 1 A 113 113 PRO CA C 113 64.872 65.952 -1.080 1
1 1382 . 14 1 1 A 113 113 PRO HA H 113 4.420 4.269 0.151 1
1 1383 . 14 1 1 A 113 113 PRO CB C 113 30.348 30.707 -0.359 1
1 1392 . 14 1 1 A 113 113 PRO C C 113 179.001 178.837 0.164 1
1 1393 . 14 1 1 A 114 114 LEU N N 114 120.690 118.182 2.508 1
1 1394 . 14 1 1 A 114 114 LEU H H 114 7.672 7.611 0.061 1
1 1395 . 14 1 1 A 114 114 LEU CA C 114 58.337 57.737 0.600 1
1 1396 . 14 1 1 A 114 114 LEU HA H 114 3.490 3.823 -0.333 1
1 1397 . 14 1 1 A 114 114 LEU CB C 114 41.840 41.551 0.289 1
1 1410 . 14 1 1 A 114 114 LEU C C 114 177.486 178.249 -0.763 1
1 1411 . 14 1 1 A 115 115 ARG N N 115 119.039 119.168 -0.129 1
1 1412 . 14 1 1 A 115 115 ARG H H 115 8.159 8.370 -0.211 1
1 1413 . 14 1 1 A 115 115 ARG CA C 115 60.199 59.699 0.500 1
1 1414 . 14 1 1 A 115 115 ARG HA H 115 3.215 3.749 -0.534 1
1 1415 . 14 1 1 A 115 115 ARG CB C 115 28.049 29.442 -1.393 1
1 1426 . 14 1 1 A 115 115 ARG C C 115 177.460 178.498 -1.038 1
1 1427 . 14 1 1 A 116 116 GLN N N 116 115.221 118.133 -2.912 1
1 1428 . 14 1 1 A 116 116 GLN H H 116 6.825 7.814 -0.989 1
1 1429 . 14 1 1 A 116 116 GLN CA C 116 58.838 58.811 0.027 1
1 1430 . 14 1 1 A 116 116 GLN HA H 116 3.830 3.885 -0.055 1
1 1431 . 14 1 1 A 116 116 GLN CB C 116 27.871 28.262 -0.391 1
1 1440 . 14 1 1 A 116 116 GLN C C 116 178.648 178.861 -0.213 1
1 1441 . 14 1 1 A 117 117 ARG N N 117 118.476 120.170 -1.694 1
1 1442 . 14 1 1 A 117 117 ARG H H 117 8.028 7.450 0.578 1
1 1443 . 14 1 1 A 117 117 ARG CA C 117 57.607 59.132 -1.525 1
1 1444 . 14 1 1 A 117 117 ARG HA H 117 4.117 4.047 0.070 1
1 1445 . 14 1 1 A 117 117 ARG CB C 117 30.040 30.394 -0.354 1
1 1454 . 14 1 1 A 117 117 ARG C C 117 179.370 178.359 1.011 1
1 1455 . 14 1 1 A 118 118 LEU N N 118 120.407 120.161 0.246 1
1 1456 . 14 1 1 A 118 118 LEU H H 118 8.533 7.868 0.665 1
1 1457 . 14 1 1 A 118 118 LEU CA C 118 58.295 57.726 0.569 1
1 1458 . 14 1 1 A 118 118 LEU HA H 118 3.950 3.890 0.060 1
1 1459 . 14 1 1 A 118 118 LEU CB C 118 40.472 40.851 -0.379 1
1 1472 . 14 1 1 A 118 118 LEU C C 118 178.577 179.097 -0.520 1
1 1473 . 14 1 1 A 119 119 GLU N N 119 116.858 117.374 -0.516 1
1 1474 . 14 1 1 A 119 119 GLU H H 119 8.220 8.073 0.147 1
1 1475 . 14 1 1 A 119 119 GLU CA C 119 59.441 59.853 -0.412 1
1 1476 . 14 1 1 A 119 119 GLU HA H 119 4.047 3.790 0.257 1
1 1477 . 14 1 1 A 119 119 GLU CB C 119 29.271 29.169 0.102 1
1 1483 . 14 1 1 A 119 119 GLU C C 119 179.631 179.261 0.370 1
1 1484 . 14 1 1 A 120 120 GLU N N 120 119.797 119.678 0.119 1
1 1485 . 14 1 1 A 120 120 GLU H H 120 8.199 8.266 -0.067 1
1 1486 . 14 1 1 A 120 120 GLU CA C 120 59.223 59.397 -0.174 1
1 1487 . 14 1 1 A 120 120 GLU HA H 120 4.062 4.067 -0.005 1
1 1488 . 14 1 1 A 120 120 GLU CB C 120 29.562 29.225 0.337 1
1 1494 . 14 1 1 A 120 120 GLU C C 120 178.823 179.293 -0.470 1
1 1495 . 14 1 1 A 121 121 ARG N N 121 118.760 119.482 -0.722 1
1 1496 . 14 1 1 A 121 121 ARG H H 121 7.928 7.928 0.000 1
1 1497 . 14 1 1 A 121 121 ARG CA C 121 58.065 59.425 -1.360 1
1 1498 . 14 1 1 A 121 121 ARG HA H 121 4.136 4.215 -0.079 1
1 1499 . 14 1 1 A 121 121 ARG CB C 121 29.478 30.064 -0.586 1
1 1508 . 14 1 1 A 121 121 ARG C C 121 178.426 178.710 -0.284 1
1 1509 . 14 1 1 A 122 122 GLN N N 122 119.430 119.359 0.071 1
1 1510 . 14 1 1 A 122 122 GLN H H 122 8.323 8.450 -0.127 1
1 1511 . 14 1 1 A 122 122 GLN CA C 122 58.489 59.255 -0.766 1
1 1512 . 14 1 1 A 122 122 GLN HA H 122 4.352 4.295 0.057 1
1 1513 . 14 1 1 A 122 122 GLN CB C 122 29.611 29.006 0.605 1
1 1522 . 14 1 1 A 122 122 GLN C C 122 177.291 175.742 1.549 1
1 1523 . 14 1 1 A 123 123 ARG N N 123 118.341 116.073 2.268 1
1 1524 . 14 1 1 A 123 123 ARG H H 123 7.920 7.292 0.628 1
1 1525 . 14 1 1 A 123 123 ARG CA C 123 57.695 55.789 1.906 1
1 1526 . 14 1 1 A 123 123 ARG HA H 123 4.266 4.498 -0.232 1
1 1527 . 14 1 1 A 123 123 ARG CB C 123 30.671 31.663 -0.992 1
1 1536 . 14 1 1 A 123 123 ARG C C 123 177.214 175.555 1.659 1
1 1537 . 14 1 1 A 124 124 ARG N N 124 119.452 118.553 0.899 1
1 1538 . 14 1 1 A 124 124 ARG H H 124 7.850 8.906 -1.056 1
1 1539 . 14 1 1 A 124 124 ARG CA C 124 56.814 54.532 2.282 1
1 1540 . 14 1 1 A 124 124 ARG HA H 124 4.300 5.097 -0.797 1
1 1541 . 14 1 1 A 124 124 ARG CB C 124 30.672 33.599 -2.927 1
1 1550 . 14 1 1 A 124 124 ARG C C 124 176.540 173.409 3.131 1
1 1551 . 14 1 1 A 125 125 ARG N N 125 120.963 121.282 -0.319 1
1 1552 . 14 1 1 A 125 125 ARG H H 125 8.081 8.647 -0.566 1
1 1553 . 14 1 1 A 125 125 ARG CA C 125 56.514 54.386 2.128 1
1 1554 . 14 1 1 A 125 125 ARG HA H 125 4.355 4.898 -0.543 1
1 1555 . 14 1 1 A 125 125 ARG CB C 125 30.694 32.421 -1.727 1
1 1564 . 14 1 1 A 125 125 ARG C C 125 176.133 175.642 0.491 1
1 1565 . 14 1 1 A 126 126 LYS N N 126 122.811 128.190 -5.379 1
1 1566 . 14 1 1 A 126 126 LYS H H 126 8.252 8.601 -0.349 1
1 1567 . 14 1 1 A 126 126 LYS CA C 126 56.430 56.439 -0.009 1
1 1568 . 14 1 1 A 126 126 LYS HA H 126 4.351 4.505 -0.154 1
1 1569 . 14 1 1 A 126 126 LYS CB C 126 33.017 33.100 -0.083 1
1 1581 . 14 1 1 A 126 126 LYS C C 126 175.649 176.615 -0.966 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.715 58.011 0.704 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.472 4.683 -0.211 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.934 63.442 0.492 1
1 6 . 15 1 1 A 6 6 SER C C 6 174.927 174.113 0.814 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.435 109.128 1.307 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.348 8.188 0.160 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.364 46.335 -0.971 1
1 10 . 15 1 1 A 7 7 GLY HA2 H 7 3.919 3.969 -0.050 1
1 11 . 15 1 1 A 7 7 GLY HA3 H 7 3.919 3.969 -0.050 1
1 12 . 15 1 1 A 7 7 GLY C C 7 173.952 173.430 0.522 1
1 13 . 15 1 1 A 8 8 MET N N 8 119.481 116.850 2.631 1
1 14 . 15 1 1 A 8 8 MET H H 8 8.163 7.755 0.408 1
1 15 . 15 1 1 A 8 8 MET CA C 8 55.472 54.639 0.833 1
1 16 . 15 1 1 A 8 8 MET HA H 8 4.486 4.704 -0.218 1
1 17 . 15 1 1 A 8 8 MET CB C 8 33.598 35.064 -1.466 1
1 27 . 15 1 1 A 8 8 MET C C 8 176.019 174.584 1.435 1
1 28 . 15 1 1 A 9 9 ALA N N 9 125.433 121.178 4.255 1
1 29 . 15 1 1 A 9 9 ALA H H 9 8.436 8.462 -0.026 1
1 30 . 15 1 1 A 9 9 ALA CA C 9 52.481 52.895 -0.414 1
1 31 . 15 1 1 A 9 9 ALA HA H 9 4.381 3.816 0.565 1
1 32 . 15 1 1 A 9 9 ALA CB C 9 19.322 17.549 1.773 1
1 36 . 15 1 1 A 9 9 ALA C C 9 177.349 175.946 1.403 1
1 37 . 15 1 1 A 10 10 SER N N 10 114.383 111.284 3.099 1
1 38 . 15 1 1 A 10 10 SER H H 10 8.372 7.809 0.563 1
1 39 . 15 1 1 A 10 10 SER CA C 10 58.607 56.326 2.281 1
1 40 . 15 1 1 A 10 10 SER HA H 10 4.470 4.973 -0.503 1
1 41 . 15 1 1 A 10 10 SER CB C 10 63.979 66.016 -2.037 1
1 44 . 15 1 1 A 10 10 SER C C 10 174.323 173.010 1.313 1
1 45 . 15 1 1 A 11 11 SER N N 11 116.549 121.188 -4.639 1
1 46 . 15 1 1 A 11 11 SER H H 11 8.111 8.564 -0.453 1
1 47 . 15 1 1 A 11 11 SER CA C 11 58.189 59.036 -0.847 1
1 48 . 15 1 1 A 11 11 SER HA H 11 4.487 4.436 0.051 1
1 49 . 15 1 1 A 11 11 SER CB C 11 64.081 64.167 -0.086 1
1 52 . 15 1 1 A 11 11 SER C C 11 173.692 174.869 -1.177 1
1 53 . 15 1 1 A 12 12 VAL N N 12 120.502 122.512 -2.010 1
1 54 . 15 1 1 A 12 12 VAL H H 12 8.207 8.369 -0.162 1
1 55 . 15 1 1 A 12 12 VAL CA C 12 61.847 63.328 -1.481 1
1 56 . 15 1 1 A 12 12 VAL HA H 12 4.150 3.909 0.241 1
1 57 . 15 1 1 A 12 12 VAL CB C 12 33.269 31.752 1.517 1
1 67 . 15 1 1 A 12 12 VAL C C 12 174.930 175.970 -1.040 1
1 68 . 15 1 1 A 13 13 ASP N N 13 124.104 126.111 -2.007 1
1 69 . 15 1 1 A 13 13 ASP H H 13 7.953 8.802 -0.849 1
1 70 . 15 1 1 A 13 13 ASP CA C 13 53.249 54.137 -0.888 1
1 71 . 15 1 1 A 13 13 ASP HA H 13 4.661 4.714 -0.053 1
1 72 . 15 1 1 A 13 13 ASP CB C 13 41.891 41.999 -0.108 1
1 75 . 15 1 1 A 13 13 ASP C C 13 176.009 177.619 -1.610 1
1 76 . 15 1 1 A 14 14 GLU N N 14 120.197 122.076 -1.879 1
1 77 . 15 1 1 A 14 14 GLU H H 14 8.568 8.837 -0.269 1
1 78 . 15 1 1 A 14 14 GLU CA C 14 59.932 59.679 0.253 1
1 79 . 15 1 1 A 14 14 GLU HA H 14 3.944 3.949 -0.005 1
1 80 . 15 1 1 A 14 14 GLU CB C 14 29.670 29.717 -0.047 1
1 86 . 15 1 1 A 14 14 GLU C C 14 178.863 178.598 0.265 1
1 87 . 15 1 1 A 15 15 GLU N N 15 120.713 118.428 2.285 1
1 88 . 15 1 1 A 15 15 GLU H H 15 8.312 8.248 0.064 1
1 89 . 15 1 1 A 15 15 GLU CA C 15 59.101 59.177 -0.076 1
1 90 . 15 1 1 A 15 15 GLU HA H 15 4.244 4.133 0.111 1
1 91 . 15 1 1 A 15 15 GLU CB C 15 28.917 29.526 -0.609 1
1 97 . 15 1 1 A 15 15 GLU C C 15 178.511 178.804 -0.293 1
1 98 . 15 1 1 A 16 16 ALA N N 16 123.041 122.460 0.581 1
1 99 . 15 1 1 A 16 16 ALA H H 16 8.047 7.903 0.144 1
1 100 . 15 1 1 A 16 16 ALA CA C 16 54.830 55.168 -0.338 1
1 101 . 15 1 1 A 16 16 ALA HA H 16 4.093 4.130 -0.037 1
1 102 . 15 1 1 A 16 16 ALA CB C 16 18.371 18.349 0.022 1
1 106 . 15 1 1 A 16 16 ALA C C 16 181.428 180.221 1.207 1
1 107 . 15 1 1 A 17 17 LEU N N 17 119.436 118.229 1.207 1
1 108 . 15 1 1 A 17 17 LEU H H 17 8.042 7.784 0.258 1
1 109 . 15 1 1 A 17 17 LEU CA C 17 57.623 58.305 -0.682 1
1 110 . 15 1 1 A 17 17 LEU HA H 17 3.838 4.038 -0.200 1
1 111 . 15 1 1 A 17 17 LEU CB C 17 41.323 41.818 -0.495 1
1 124 . 15 1 1 A 17 17 LEU C C 17 177.590 178.983 -1.393 1
1 125 . 15 1 1 A 18 18 HIS N N 18 118.394 117.773 0.621 1
1 126 . 15 1 1 A 18 18 HIS H H 18 8.182 7.884 0.298 1
1 127 . 15 1 1 A 18 18 HIS CA C 18 59.415 60.207 -0.792 1
1 128 . 15 1 1 A 18 18 HIS HA H 18 4.435 3.977 0.458 1
1 129 . 15 1 1 A 18 18 HIS CB C 18 29.560 29.622 -0.062 1
1 136 . 15 1 1 A 18 18 HIS C C 18 178.114 176.668 1.446 1
1 137 . 15 1 1 A 19 19 GLN N N 19 115.623 116.948 -1.325 1
1 138 . 15 1 1 A 19 19 GLN H H 19 8.178 8.176 0.002 1
1 139 . 15 1 1 A 19 19 GLN CA C 19 58.406 59.018 -0.612 1
1 140 . 15 1 1 A 19 19 GLN HA H 19 3.904 3.666 0.238 1
1 141 . 15 1 1 A 19 19 GLN CB C 19 28.118 28.355 -0.237 1
1 150 . 15 1 1 A 19 19 GLN C C 19 179.132 178.425 0.707 1
1 151 . 15 1 1 A 20 20 LEU N N 20 122.817 121.360 1.457 1
1 152 . 15 1 1 A 20 20 LEU H H 20 7.949 7.890 0.059 1
1 153 . 15 1 1 A 20 20 LEU CA C 20 58.278 57.802 0.476 1
1 154 . 15 1 1 A 20 20 LEU HA H 20 4.233 4.198 0.035 1
1 155 . 15 1 1 A 20 20 LEU CB C 20 40.850 41.965 -1.115 1
1 168 . 15 1 1 A 20 20 LEU C C 20 178.466 178.357 0.109 1
1 169 . 15 1 1 A 21 21 TYR N N 21 118.825 119.106 -0.281 1
1 170 . 15 1 1 A 21 21 TYR H H 21 8.376 8.332 0.044 1
1 171 . 15 1 1 A 21 21 TYR CA C 21 60.605 60.618 -0.013 1
1 172 . 15 1 1 A 21 21 TYR HA H 21 4.286 4.356 -0.070 1
1 173 . 15 1 1 A 21 21 TYR CB C 21 36.667 37.837 -1.170 1
1 184 . 15 1 1 A 21 21 TYR C C 21 178.654 178.476 0.178 1
1 185 . 15 1 1 A 22 22 LEU N N 22 118.954 120.227 -1.273 1
1 186 . 15 1 1 A 22 22 LEU H H 22 7.869 8.307 -0.438 1
1 187 . 15 1 1 A 22 22 LEU CA C 22 57.887 57.992 -0.105 1
1 188 . 15 1 1 A 22 22 LEU HA H 22 4.076 3.954 0.122 1
1 189 . 15 1 1 A 22 22 LEU CB C 22 42.250 41.959 0.291 1
1 202 . 15 1 1 A 22 22 LEU C C 22 178.877 178.900 -0.023 1
1 203 . 15 1 1 A 23 23 TRP N N 23 120.668 120.697 -0.029 1
1 204 . 15 1 1 A 23 23 TRP H H 23 7.804 8.021 -0.217 1
1 205 . 15 1 1 A 23 23 TRP CA C 23 60.711 61.238 -0.527 1
1 206 . 15 1 1 A 23 23 TRP HA H 23 4.436 4.221 0.215 1
1 207 . 15 1 1 A 23 23 TRP CB C 23 28.035 29.553 -1.518 1
1 222 . 15 1 1 A 23 23 TRP C C 23 178.471 178.315 0.156 1
1 223 . 15 1 1 A 24 24 VAL N N 24 116.831 118.772 -1.941 1
1 224 . 15 1 1 A 24 24 VAL H H 24 8.503 7.677 0.826 1
1 225 . 15 1 1 A 24 24 VAL CA C 24 66.014 66.125 -0.111 1
1 226 . 15 1 1 A 24 24 VAL HA H 24 3.084 2.845 0.239 1
1 227 . 15 1 1 A 24 24 VAL CB C 24 31.826 31.337 0.489 1
1 237 . 15 1 1 A 24 24 VAL C C 24 178.212 177.448 0.764 1
1 238 . 15 1 1 A 25 25 ASP N N 25 117.894 119.969 -2.075 1
1 239 . 15 1 1 A 25 25 ASP H H 25 8.140 8.324 -0.184 1
1 240 . 15 1 1 A 25 25 ASP CA C 25 57.043 57.482 -0.439 1
1 241 . 15 1 1 A 25 25 ASP HA H 25 4.290 4.211 0.079 1
1 242 . 15 1 1 A 25 25 ASP CB C 25 41.067 41.012 0.055 1
1 245 . 15 1 1 A 25 25 ASP C C 25 177.163 178.319 -1.156 1
1 246 . 15 1 1 A 26 26 ASN N N 26 114.914 116.308 -1.394 1
1 247 . 15 1 1 A 26 26 ASN H H 26 7.229 8.292 -1.063 1
1 248 . 15 1 1 A 26 26 ASN CA C 26 53.375 56.506 -3.131 1
1 249 . 15 1 1 A 26 26 ASN HA H 26 4.607 4.376 0.231 1
1 250 . 15 1 1 A 26 26 ASN CB C 26 40.048 39.028 1.020 1
1 256 . 15 1 1 A 26 26 ASN C C 26 174.227 175.773 -1.546 1
1 257 . 15 1 1 A 27 27 ILE N N 27 123.268 119.562 3.706 1
1 258 . 15 1 1 A 27 27 ILE H H 27 7.212 7.519 -0.307 1
1 259 . 15 1 1 A 27 27 ILE CA C 27 58.327 60.114 -1.787 1
1 260 . 15 1 1 A 27 27 ILE HA H 27 3.628 3.793 -0.165 1
1 261 . 15 1 1 A 27 27 ILE CB C 27 39.403 38.032 1.371 1
1 274 . 15 1 1 A 27 27 ILE C C 27 173.764 174.782 -1.018 1
1 275 . 15 1 1 A 28 28 PRO CA C 28 62.584 62.170 0.414 1
1 276 . 15 1 1 A 28 28 PRO HA H 28 4.354 4.629 -0.275 1
1 277 . 15 1 1 A 28 28 PRO CB C 28 30.056 29.257 0.799 1
1 286 . 15 1 1 A 28 28 PRO C C 28 175.419 175.578 -0.159 1
1 287 . 15 1 1 A 29 29 LEU N N 29 125.355 124.719 0.636 1
1 288 . 15 1 1 A 29 29 LEU H H 29 8.118 8.100 0.018 1
1 289 . 15 1 1 A 29 29 LEU CA C 29 53.358 53.978 -0.620 1
1 290 . 15 1 1 A 29 29 LEU HA H 29 4.748 4.430 0.318 1
1 291 . 15 1 1 A 29 29 LEU CB C 29 45.279 41.089 4.190 1
1 304 . 15 1 1 A 29 29 LEU C C 29 178.577 175.987 2.590 1
1 305 . 15 1 1 A 31 31 ARG CA C 31 53.250 52.697 0.553 1
1 306 . 15 1 1 A 31 31 ARG HA H 31 4.787 4.762 0.025 1
1 307 . 15 1 1 A 31 31 ARG CB C 31 32.107 31.800 0.307 1
1 316 . 15 1 1 A 32 32 PRO CA C 32 62.865 62.217 0.648 1
1 317 . 15 1 1 A 32 32 PRO HA H 32 4.300 4.554 -0.254 1
1 318 . 15 1 1 A 32 32 PRO CB C 32 32.193 33.113 -0.920 1
1 327 . 15 1 1 A 33 33 LYS CA C 33 56.154 55.887 0.267 1
1 328 . 15 1 1 A 33 33 LYS HA H 33 4.361 4.732 -0.371 1
1 329 . 15 1 1 A 33 33 LYS CB C 33 32.368 33.176 -0.808 1
1 341 . 15 1 1 A 34 34 ARG N N 34 122.768 123.861 -1.093 1
1 342 . 15 1 1 A 34 34 ARG H H 34 8.410 8.375 0.035 1
1 343 . 15 1 1 A 34 34 ARG HA H 34 4.336 4.651 -0.315 1
1 344 . 15 1 1 A 34 34 ARG CB C 34 31.894 34.150 -2.256 1
1 349 . 15 1 1 A 35 35 ASN CA C 35 53.153 53.768 -0.615 1
1 350 . 15 1 1 A 35 35 ASN HA H 35 4.771 4.733 0.038 1
1 351 . 15 1 1 A 35 35 ASN CB C 35 39.425 39.607 -0.182 1
1 357 . 15 1 1 A 36 36 LEU N N 36 110.943 123.801 -12.858 1
1 358 . 15 1 1 A 36 36 LEU H H 36 8.305 8.816 -0.511 1
1 359 . 15 1 1 A 36 36 LEU CA C 36 60.191 57.702 2.489 1
1 360 . 15 1 1 A 36 36 LEU HA H 36 4.140 4.031 0.109 1
1 361 . 15 1 1 A 36 36 LEU CB C 36 41.876 42.274 -0.398 1
1 374 . 15 1 1 A 37 37 SER CA C 37 61.673 61.614 0.059 1
1 375 . 15 1 1 A 37 37 SER HA H 37 4.080 4.242 -0.162 1
1 376 . 15 1 1 A 37 37 SER CB C 37 62.700 62.928 -0.228 1
1 379 . 15 1 1 A 38 38 ARG N N 38 119.288 121.532 -2.244 1
1 380 . 15 1 1 A 38 38 ARG H H 38 7.773 7.982 -0.209 1
1 381 . 15 1 1 A 38 38 ARG HA H 38 4.587 4.113 0.474 1
1 384 . 15 1 1 A 39 39 ASP N N 39 121.607 119.276 2.331 1
1 385 . 15 1 1 A 39 39 ASP H H 39 9.487 7.974 1.513 1
1 386 . 15 1 1 A 39 39 ASP CA C 39 58.026 56.335 1.691 1
1 387 . 15 1 1 A 39 39 ASP HA H 39 4.518 4.475 0.043 1
1 388 . 15 1 1 A 39 39 ASP CB C 39 40.039 40.975 -0.936 1
1 391 . 15 1 1 A 40 40 PHE N N 40 115.310 118.460 -3.150 1
1 392 . 15 1 1 A 40 40 PHE H H 40 8.300 8.530 -0.230 1
1 393 . 15 1 1 A 40 40 PHE CA C 40 59.420 60.816 -1.396 1
1 394 . 15 1 1 A 40 40 PHE HA H 40 4.605 4.251 0.354 1
1 395 . 15 1 1 A 40 40 PHE CB C 40 39.030 38.759 0.271 1
1 408 . 15 1 1 A 41 41 SER N N 41 115.417 115.508 -0.091 1
1 409 . 15 1 1 A 41 41 SER H H 41 7.441 8.667 -1.226 1
1 410 . 15 1 1 A 41 41 SER CA C 41 62.290 61.739 0.551 1
1 411 . 15 1 1 A 41 41 SER HA H 41 4.341 4.439 -0.098 1
1 412 . 15 1 1 A 41 41 SER CB C 41 64.510 62.902 1.608 1
1 415 . 15 1 1 A 42 42 ASP N N 42 117.563 121.273 -3.710 1
1 416 . 15 1 1 A 42 42 ASP H H 42 8.726 7.976 0.750 1
1 417 . 15 1 1 A 42 42 ASP CA C 42 53.746 54.404 -0.658 1
1 418 . 15 1 1 A 42 42 ASP HA H 42 4.780 4.837 -0.057 1
1 419 . 15 1 1 A 42 42 ASP CB C 42 42.695 42.231 0.464 1
1 422 . 15 1 1 A 42 42 ASP C C 42 176.013 177.158 -1.145 1
1 423 . 15 1 1 A 43 43 GLY N N 43 106.643 113.158 -6.515 1
1 424 . 15 1 1 A 43 43 GLY H H 43 7.388 8.947 -1.559 1
1 425 . 15 1 1 A 43 43 GLY CA C 43 45.230 47.159 -1.929 1
1 426 . 15 1 1 A 43 43 GLY HA2 H 43 3.131 2.722 0.409 1
1 427 . 15 1 1 A 43 43 GLY HA3 H 43 2.588 3.382 -0.794 1
1 428 . 15 1 1 A 43 43 GLY C C 43 173.476 175.473 -1.997 1
1 429 . 15 1 1 A 44 44 VAL N N 44 121.300 122.227 -0.927 1
1 430 . 15 1 1 A 44 44 VAL H H 44 7.874 7.549 0.325 1
1 431 . 15 1 1 A 44 44 VAL CA C 44 67.198 66.045 1.153 1
1 432 . 15 1 1 A 44 44 VAL HA H 44 3.018 3.492 -0.474 1
1 433 . 15 1 1 A 44 44 VAL CB C 44 31.139 31.566 -0.427 1
1 443 . 15 1 1 A 44 44 VAL C C 44 177.853 178.238 -0.385 1
1 444 . 15 1 1 A 45 45 LEU N N 45 114.495 120.474 -5.979 1
1 445 . 15 1 1 A 45 45 LEU H H 45 8.945 8.279 0.666 1
1 446 . 15 1 1 A 45 45 LEU CA C 45 57.466 58.115 -0.649 1
1 447 . 15 1 1 A 45 45 LEU HA H 45 3.838 3.918 -0.080 1
1 448 . 15 1 1 A 45 45 LEU CB C 45 40.503 41.641 -1.138 1
1 461 . 15 1 1 A 45 45 LEU C C 45 179.257 178.789 0.468 1
1 462 . 15 1 1 A 46 46 VAL N N 46 118.354 119.503 -1.149 1
1 463 . 15 1 1 A 46 46 VAL H H 46 7.422 7.727 -0.305 1
1 464 . 15 1 1 A 46 46 VAL CA C 46 67.288 66.773 0.515 1
1 465 . 15 1 1 A 46 46 VAL HA H 46 3.469 3.537 -0.068 1
1 466 . 15 1 1 A 46 46 VAL CB C 46 30.173 31.502 -1.329 1
1 476 . 15 1 1 A 46 46 VAL C C 46 176.954 177.868 -0.914 1
1 477 . 15 1 1 A 47 47 ALA N N 47 121.963 121.519 0.444 1
1 478 . 15 1 1 A 47 47 ALA H H 47 7.272 8.096 -0.824 1
1 479 . 15 1 1 A 47 47 ALA CA C 47 55.991 55.802 0.189 1
1 480 . 15 1 1 A 47 47 ALA HA H 47 3.576 3.923 -0.347 1
1 481 . 15 1 1 A 47 47 ALA CB C 47 17.292 18.294 -1.002 1
1 485 . 15 1 1 A 47 47 ALA C C 47 178.880 180.462 -1.582 1
1 486 . 15 1 1 A 48 48 GLU N N 48 116.763 118.302 -1.539 1
1 487 . 15 1 1 A 48 48 GLU H H 48 8.081 7.834 0.247 1
1 488 . 15 1 1 A 48 48 GLU CA C 48 60.605 59.429 1.176 1
1 489 . 15 1 1 A 48 48 GLU HA H 48 3.851 3.973 -0.122 1
1 490 . 15 1 1 A 48 48 GLU CB C 48 30.467 29.429 1.038 1
1 496 . 15 1 1 A 48 48 GLU C C 48 180.175 179.422 0.753 1
1 497 . 15 1 1 A 49 49 VAL N N 49 122.024 120.048 1.976 1
1 498 . 15 1 1 A 49 49 VAL H H 49 8.325 8.061 0.264 1
1 499 . 15 1 1 A 49 49 VAL CA C 49 67.146 66.028 1.118 1
1 500 . 15 1 1 A 49 49 VAL HA H 49 3.530 3.625 -0.095 1
1 501 . 15 1 1 A 49 49 VAL CB C 49 31.543 31.518 0.025 1
1 511 . 15 1 1 A 49 49 VAL C C 49 177.168 178.540 -1.372 1
1 512 . 15 1 1 A 50 50 ILE N N 50 117.821 120.871 -3.050 1
1 513 . 15 1 1 A 50 50 ILE H H 50 7.947 8.533 -0.586 1
1 514 . 15 1 1 A 50 50 ILE CA C 50 66.217 64.811 1.406 1
1 515 . 15 1 1 A 50 50 ILE HA H 50 3.757 4.074 -0.317 1
1 516 . 15 1 1 A 50 50 ILE CB C 50 37.952 37.083 0.869 1
1 529 . 15 1 1 A 50 50 ILE C C 50 177.890 177.897 -0.007 1
1 530 . 15 1 1 A 51 51 LYS N N 51 121.589 121.280 0.309 1
1 531 . 15 1 1 A 51 51 LYS H H 51 8.790 8.272 0.518 1
1 532 . 15 1 1 A 51 51 LYS CA C 51 58.277 59.686 -1.409 1
1 533 . 15 1 1 A 51 51 LYS HA H 51 3.816 4.368 -0.552 1
1 534 . 15 1 1 A 51 51 LYS CB C 51 32.898 32.588 0.310 1
1 546 . 15 1 1 A 51 51 LYS C C 51 176.668 178.506 -1.838 1
1 547 . 15 1 1 A 52 52 PHE N N 52 117.622 120.409 -2.787 1
1 548 . 15 1 1 A 52 52 PHE H H 52 7.768 7.781 -0.013 1
1 549 . 15 1 1 A 52 52 PHE CA C 52 60.585 61.254 -0.669 1
1 550 . 15 1 1 A 52 52 PHE HA H 52 4.090 3.977 0.113 1
1 551 . 15 1 1 A 52 52 PHE CB C 52 38.775 39.145 -0.370 1
1 564 . 15 1 1 A 52 52 PHE C C 52 176.831 176.460 0.371 1
1 565 . 15 1 1 A 53 53 TYR N N 53 115.876 115.064 0.812 1
1 566 . 15 1 1 A 53 53 TYR H H 53 7.346 8.140 -0.794 1
1 567 . 15 1 1 A 53 53 TYR CA C 53 61.264 59.745 1.519 1
1 568 . 15 1 1 A 53 53 TYR HA H 53 3.697 4.145 -0.448 1
1 569 . 15 1 1 A 53 53 TYR CB C 53 41.522 39.624 1.898 1
1 580 . 15 1 1 A 53 53 TYR C C 53 175.972 175.544 0.428 1
1 581 . 15 1 1 A 54 54 PHE N N 54 116.478 117.354 -0.876 1
1 582 . 15 1 1 A 54 54 PHE H H 54 8.877 8.478 0.399 1
1 583 . 15 1 1 A 54 54 PHE CA C 54 55.553 54.939 0.614 1
1 584 . 15 1 1 A 54 54 PHE HA H 54 5.173 5.047 0.126 1
1 585 . 15 1 1 A 54 54 PHE CB C 54 40.841 40.207 0.634 1
1 598 . 15 1 1 A 54 54 PHE C C 54 173.424 174.480 -1.056 1
1 599 . 15 1 1 A 55 55 PRO CA C 55 65.147 64.852 0.295 1
1 600 . 15 1 1 A 55 55 PRO HA H 55 4.591 4.459 0.132 1
1 601 . 15 1 1 A 55 55 PRO CB C 55 32.014 32.124 -0.110 1
1 610 . 15 1 1 A 55 55 PRO C C 55 179.255 178.863 0.392 1
1 611 . 15 1 1 A 56 56 LYS N N 56 113.672 118.266 -4.594 1
1 612 . 15 1 1 A 56 56 LYS H H 56 8.639 8.346 0.293 1
1 613 . 15 1 1 A 56 56 LYS CA C 56 56.918 59.537 -2.619 1
1 614 . 15 1 1 A 56 56 LYS HA H 56 4.384 4.074 0.310 1
1 615 . 15 1 1 A 56 56 LYS CB C 56 31.868 32.278 -0.410 1
1 627 . 15 1 1 A 56 56 LYS C C 56 178.220 179.567 -1.347 1
1 628 . 15 1 1 A 57 57 MET N N 57 116.692 119.467 -2.775 1
1 629 . 15 1 1 A 57 57 MET H H 57 8.099 8.213 -0.114 1
1 630 . 15 1 1 A 57 57 MET CA C 57 57.537 58.914 -1.377 1
1 631 . 15 1 1 A 57 57 MET HA H 57 4.260 4.101 0.159 1
1 632 . 15 1 1 A 57 57 MET CB C 57 35.400 32.049 3.351 1
1 642 . 15 1 1 A 57 57 MET C C 57 174.856 177.346 -2.490 1
1 643 . 15 1 1 A 58 58 VAL N N 58 114.727 119.262 -4.535 1
1 644 . 15 1 1 A 58 58 VAL H H 58 6.872 7.412 -0.540 1
1 645 . 15 1 1 A 58 58 VAL CA C 58 60.834 63.152 -2.318 1
1 646 . 15 1 1 A 58 58 VAL HA H 58 4.421 4.058 0.363 1
1 647 . 15 1 1 A 58 58 VAL CB C 58 36.223 31.782 4.441 1
1 657 . 15 1 1 A 58 58 VAL C C 58 173.747 175.685 -1.938 1
1 658 . 15 1 1 A 59 59 GLU N N 59 127.314 128.262 -0.948 1
1 659 . 15 1 1 A 59 59 GLU H H 59 8.783 8.927 -0.144 1
1 660 . 15 1 1 A 59 59 GLU CA C 59 54.465 55.161 -0.696 1
1 661 . 15 1 1 A 59 59 GLU HA H 59 4.671 4.874 -0.203 1
1 662 . 15 1 1 A 59 59 GLU CB C 59 30.020 30.393 -0.373 1
1 668 . 15 1 1 A 59 59 GLU C C 59 176.450 176.715 -0.265 1
1 669 . 15 1 1 A 60 60 MET N N 60 122.273 124.001 -1.728 1
1 670 . 15 1 1 A 60 60 MET H H 60 9.004 8.514 0.490 1
1 671 . 15 1 1 A 60 60 MET CA C 60 55.751 58.518 -2.767 1
1 672 . 15 1 1 A 60 60 MET HA H 60 4.613 4.106 0.507 1
1 673 . 15 1 1 A 60 60 MET CB C 60 29.356 32.968 -3.612 1
1 683 . 15 1 1 A 60 60 MET C C 60 178.387 178.720 -0.333 1
1 684 . 15 1 1 A 61 61 HIS N N 61 115.823 117.768 -1.945 1
1 685 . 15 1 1 A 61 61 HIS H H 61 8.198 7.809 0.389 1
1 686 . 15 1 1 A 61 61 HIS CA C 61 57.963 58.710 -0.747 1
1 687 . 15 1 1 A 61 61 HIS HA H 61 4.341 4.392 -0.051 1
1 688 . 15 1 1 A 61 61 HIS CB C 61 29.235 29.691 -0.456 1
1 695 . 15 1 1 A 61 61 HIS C C 61 175.800 176.776 -0.976 1
1 696 . 15 1 1 A 62 62 ASN N N 62 115.093 114.777 0.316 1
1 697 . 15 1 1 A 62 62 ASN H H 62 6.895 7.314 -0.419 1
1 698 . 15 1 1 A 62 62 ASN CA C 62 54.503 54.509 -0.006 1
1 699 . 15 1 1 A 62 62 ASN HA H 62 3.872 4.692 -0.820 1
1 700 . 15 1 1 A 62 62 ASN CB C 62 38.749 39.441 -0.692 1
1 706 . 15 1 1 A 62 62 ASN C C 62 173.014 175.591 -2.577 1
1 707 . 15 1 1 A 63 63 TYR N N 63 118.560 119.099 -0.539 1
1 708 . 15 1 1 A 63 63 TYR H H 63 7.255 7.125 0.130 1
1 709 . 15 1 1 A 63 63 TYR CA C 63 56.311 59.372 -3.061 1
1 710 . 15 1 1 A 63 63 TYR HA H 63 4.481 4.607 -0.126 1
1 711 . 15 1 1 A 63 63 TYR CB C 63 39.138 39.273 -0.135 1
1 722 . 15 1 1 A 63 63 TYR C C 63 173.223 176.212 -2.989 1
1 723 . 15 1 1 A 64 64 VAL N N 64 122.318 122.185 0.133 1
1 724 . 15 1 1 A 64 64 VAL H H 64 7.750 8.520 -0.770 1
1 725 . 15 1 1 A 64 64 VAL CA C 64 58.601 58.994 -0.393 1
1 726 . 15 1 1 A 64 64 VAL HA H 64 4.469 4.668 -0.199 1
1 727 . 15 1 1 A 64 64 VAL CB C 64 33.747 35.549 -1.802 1
1 737 . 15 1 1 A 64 64 VAL C C 64 173.983 173.867 0.116 1
1 738 . 15 1 1 A 65 65 PRO CA C 65 63.212 62.519 0.693 1
1 739 . 15 1 1 A 65 65 PRO HA H 65 4.348 4.771 -0.423 1
1 740 . 15 1 1 A 65 65 PRO CB C 65 31.279 31.900 -0.621 1
1 749 . 15 1 1 A 65 65 PRO C C 65 176.821 176.157 0.664 1
1 750 . 15 1 1 A 66 66 ALA N N 66 125.896 124.949 0.947 1
1 751 . 15 1 1 A 66 66 ALA H H 66 8.563 8.431 0.132 1
1 752 . 15 1 1 A 66 66 ALA CA C 66 52.003 50.381 1.622 1
1 753 . 15 1 1 A 66 66 ALA HA H 66 4.651 4.866 -0.215 1
1 754 . 15 1 1 A 66 66 ALA CB C 66 24.137 22.636 1.501 1
1 758 . 15 1 1 A 66 66 ALA C C 66 176.244 177.220 -0.976 1
1 759 . 15 1 1 A 67 67 ASN CA C 67 52.862 52.217 0.645 1
1 760 . 15 1 1 A 67 67 ASN HA H 67 4.988 5.087 -0.099 1
1 761 . 15 1 1 A 67 67 ASN CB C 67 40.168 39.224 0.944 1
1 767 . 15 1 1 A 67 67 ASN C C 67 174.896 174.973 -0.077 1
1 768 . 15 1 1 A 68 68 SER N N 68 114.553 114.792 -0.239 1
1 769 . 15 1 1 A 68 68 SER H H 68 7.777 7.626 0.151 1
1 770 . 15 1 1 A 68 68 SER CA C 68 56.741 57.753 -1.012 1
1 771 . 15 1 1 A 68 68 SER HA H 68 4.737 4.848 -0.111 1
1 772 . 15 1 1 A 68 68 SER CB C 68 65.267 64.688 0.579 1
1 775 . 15 1 1 A 68 68 SER C C 68 174.542 174.531 0.011 1
1 776 . 15 1 1 A 69 69 LEU CA C 69 59.000 59.081 -0.081 1
1 777 . 15 1 1 A 69 69 LEU HA H 69 3.961 4.003 -0.042 1
1 778 . 15 1 1 A 69 69 LEU CB C 69 41.679 42.111 -0.432 1
1 791 . 15 1 1 A 69 69 LEU C C 69 178.629 178.313 0.316 1
1 792 . 15 1 1 A 70 70 GLN N N 70 115.924 116.539 -0.615 1
1 793 . 15 1 1 A 70 70 GLN H H 70 8.785 8.360 0.425 1
1 794 . 15 1 1 A 70 70 GLN CA C 70 59.728 58.455 1.273 1
1 795 . 15 1 1 A 70 70 GLN HA H 70 3.977 4.122 -0.145 1
1 796 . 15 1 1 A 70 70 GLN CB C 70 27.912 28.438 -0.526 1
1 805 . 15 1 1 A 70 70 GLN C C 70 178.954 177.918 1.036 1
1 806 . 15 1 1 A 71 71 GLN N N 71 118.694 119.069 -0.375 1
1 807 . 15 1 1 A 71 71 GLN H H 71 7.780 7.912 -0.132 1
1 808 . 15 1 1 A 71 71 GLN CA C 71 58.233 58.996 -0.763 1
1 809 . 15 1 1 A 71 71 GLN HA H 71 4.219 4.068 0.151 1
1 810 . 15 1 1 A 71 71 GLN CB C 71 29.089 28.461 0.628 1
1 819 . 15 1 1 A 71 71 GLN C C 71 178.724 177.928 0.796 1
1 820 . 15 1 1 A 72 72 LYS N N 72 119.661 118.356 1.305 1
1 821 . 15 1 1 A 72 72 LYS H H 72 8.094 8.137 -0.043 1
1 822 . 15 1 1 A 72 72 LYS CA C 72 61.528 59.537 1.991 1
1 823 . 15 1 1 A 72 72 LYS HA H 72 4.206 4.035 0.171 1
1 824 . 15 1 1 A 72 72 LYS CB C 72 33.806 32.355 1.451 1
1 836 . 15 1 1 A 72 72 LYS C C 72 179.041 179.101 -0.060 1
1 837 . 15 1 1 A 73 73 LEU N N 73 117.098 120.716 -3.618 1
1 838 . 15 1 1 A 73 73 LEU H H 73 8.602 8.045 0.557 1
1 839 . 15 1 1 A 73 73 LEU CA C 73 58.118 57.936 0.182 1
1 840 . 15 1 1 A 73 73 LEU HA H 73 4.287 4.082 0.205 1
1 841 . 15 1 1 A 73 73 LEU CB C 73 40.831 41.667 -0.836 1
1 854 . 15 1 1 A 73 73 LEU C C 73 180.838 179.052 1.786 1
1 855 . 15 1 1 A 74 74 SER N N 74 118.060 113.860 4.200 1
1 856 . 15 1 1 A 74 74 SER H H 74 8.334 7.803 0.531 1
1 857 . 15 1 1 A 74 74 SER CA C 74 61.971 61.766 0.205 1
1 858 . 15 1 1 A 74 74 SER HA H 74 4.431 4.129 0.302 1
1 859 . 15 1 1 A 74 74 SER CB C 74 62.560 63.127 -0.567 1
1 862 . 15 1 1 A 74 74 SER C C 74 177.493 177.652 -0.159 1
1 863 . 15 1 1 A 75 75 ASN N N 75 121.688 119.275 2.413 1
1 864 . 15 1 1 A 75 75 ASN H H 75 8.266 8.145 0.121 1
1 865 . 15 1 1 A 75 75 ASN CA C 75 56.090 56.536 -0.446 1
1 866 . 15 1 1 A 75 75 ASN HA H 75 4.739 4.508 0.231 1
1 867 . 15 1 1 A 75 75 ASN CB C 75 38.184 38.186 -0.002 1
1 873 . 15 1 1 A 75 75 ASN C C 75 177.792 177.834 -0.042 1
1 874 . 15 1 1 A 76 76 TRP N N 76 118.943 119.995 -1.052 1
1 875 . 15 1 1 A 76 76 TRP H H 76 8.510 8.452 0.058 1
1 876 . 15 1 1 A 76 76 TRP CA C 76 62.294 59.288 3.006 1
1 877 . 15 1 1 A 76 76 TRP HA H 76 4.173 4.254 -0.081 1
1 878 . 15 1 1 A 76 76 TRP CB C 76 29.223 29.118 0.105 1
1 893 . 15 1 1 A 76 76 TRP C C 76 178.579 179.211 -0.632 1
1 894 . 15 1 1 A 77 77 GLY N N 77 107.789 107.686 0.103 1
1 895 . 15 1 1 A 77 77 GLY H H 77 8.954 8.708 0.246 1
1 896 . 15 1 1 A 77 77 GLY CA C 77 47.600 47.645 -0.045 1
1 897 . 15 1 1 A 77 77 GLY HA2 H 77 4.122 3.795 0.327 1
1 898 . 15 1 1 A 77 77 GLY HA3 H 77 3.977 3.806 0.171 1
1 899 . 15 1 1 A 77 77 GLY C C 77 176.076 175.931 0.145 1
1 900 . 15 1 1 A 78 78 HIS N N 78 122.925 121.835 1.090 1
1 901 . 15 1 1 A 78 78 HIS H H 78 8.127 8.340 -0.213 1
1 902 . 15 1 1 A 78 78 HIS CA C 78 61.550 59.360 2.190 1
1 903 . 15 1 1 A 78 78 HIS HA H 78 4.206 4.262 -0.056 1
1 904 . 15 1 1 A 78 78 HIS CB C 78 30.794 30.658 0.136 1
1 911 . 15 1 1 A 78 78 HIS C C 78 177.572 177.250 0.322 1
1 912 . 15 1 1 A 79 79 LEU N N 79 120.009 120.559 -0.550 1
1 913 . 15 1 1 A 79 79 LEU H H 79 8.726 8.054 0.672 1
1 914 . 15 1 1 A 79 79 LEU CA C 79 58.252 57.769 0.483 1
1 915 . 15 1 1 A 79 79 LEU HA H 79 4.227 4.091 0.136 1
1 916 . 15 1 1 A 79 79 LEU CB C 79 43.075 41.345 1.730 1
1 929 . 15 1 1 A 79 79 LEU C C 79 181.067 178.535 2.532 1
1 930 . 15 1 1 A 80 80 ASN N N 80 119.257 117.392 1.865 1
1 931 . 15 1 1 A 80 80 ASN H H 80 9.270 8.001 1.269 1
1 932 . 15 1 1 A 80 80 ASN CA C 80 57.279 56.537 0.742 1
1 933 . 15 1 1 A 80 80 ASN HA H 80 4.595 4.528 0.067 1
1 934 . 15 1 1 A 80 80 ASN CB C 80 40.403 39.046 1.357 1
1 940 . 15 1 1 A 80 80 ASN C C 80 177.177 177.089 0.088 1
1 941 . 15 1 1 A 81 81 ARG N N 81 115.731 117.825 -2.094 1
1 942 . 15 1 1 A 81 81 ARG H H 81 8.085 8.188 -0.103 1
1 943 . 15 1 1 A 81 81 ARG CA C 81 59.249 56.802 2.447 1
1 944 . 15 1 1 A 81 81 ARG HA H 81 4.167 4.299 -0.132 1
1 945 . 15 1 1 A 81 81 ARG CB C 81 31.579 30.121 1.458 1
1 954 . 15 1 1 A 81 81 ARG C C 81 177.890 176.830 1.060 1
1 955 . 15 1 1 A 82 82 LYS N N 82 113.840 117.608 -3.768 1
1 956 . 15 1 1 A 82 82 LYS H H 82 8.691 7.514 1.177 1
1 957 . 15 1 1 A 82 82 LYS CA C 82 56.216 56.626 -0.410 1
1 958 . 15 1 1 A 82 82 LYS HA H 82 4.441 4.342 0.099 1
1 959 . 15 1 1 A 82 82 LYS CB C 82 32.964 33.868 -0.904 1
1 971 . 15 1 1 A 82 82 LYS C C 82 177.543 177.020 0.523 1
1 972 . 15 1 1 A 83 83 VAL N N 83 117.873 117.207 0.666 1
1 973 . 15 1 1 A 83 83 VAL H H 83 7.786 7.966 -0.180 1
1 974 . 15 1 1 A 83 83 VAL CA C 83 64.939 63.830 1.109 1
1 975 . 15 1 1 A 83 83 VAL HA H 83 4.235 4.180 0.055 1
1 976 . 15 1 1 A 83 83 VAL CB C 83 34.046 32.601 1.445 1
1 986 . 15 1 1 A 83 83 VAL C C 83 176.945 177.669 -0.724 1
1 987 . 15 1 1 A 84 84 LEU N N 84 118.163 120.264 -2.101 1
1 988 . 15 1 1 A 84 84 LEU H H 84 9.200 8.025 1.175 1
1 989 . 15 1 1 A 84 84 LEU CA C 84 58.824 58.294 0.530 1
1 990 . 15 1 1 A 84 84 LEU HA H 84 3.898 3.963 -0.065 1
1 991 . 15 1 1 A 84 84 LEU CB C 84 38.418 41.668 -3.250 1
1 1004 . 15 1 1 A 84 84 LEU C C 84 179.874 179.136 0.738 1
1 1005 . 15 1 1 A 85 85 LYS N N 85 117.114 117.082 0.032 1
1 1006 . 15 1 1 A 85 85 LYS H H 85 7.303 8.385 -1.082 1
1 1007 . 15 1 1 A 85 85 LYS CA C 85 59.436 60.392 -0.956 1
1 1008 . 15 1 1 A 85 85 LYS HA H 85 4.191 3.837 0.354 1
1 1009 . 15 1 1 A 85 85 LYS CB C 85 33.096 32.148 0.948 1
1 1021 . 15 1 1 A 85 85 LYS C C 85 180.286 179.435 0.851 1
1 1022 . 15 1 1 A 86 86 ARG N N 86 117.181 119.313 -2.132 1
1 1023 . 15 1 1 A 86 86 ARG H H 86 7.216 7.877 -0.661 1
1 1024 . 15 1 1 A 86 86 ARG CA C 86 57.924 58.297 -0.373 1
1 1025 . 15 1 1 A 86 86 ARG HA H 86 4.191 4.107 0.084 1
1 1026 . 15 1 1 A 86 86 ARG CB C 86 29.848 30.346 -0.498 1
1 1035 . 15 1 1 A 86 86 ARG C C 86 177.047 177.520 -0.473 1
1 1036 . 15 1 1 A 87 87 LEU N N 87 118.282 117.975 0.307 1
1 1037 . 15 1 1 A 87 87 LEU H H 87 7.584 7.636 -0.052 1
1 1038 . 15 1 1 A 87 87 LEU CA C 87 53.603 54.619 -1.016 1
1 1039 . 15 1 1 A 87 87 LEU HA H 87 4.339 4.413 -0.074 1
1 1040 . 15 1 1 A 87 87 LEU CB C 87 42.059 41.898 0.161 1
1 1053 . 15 1 1 A 87 87 LEU C C 87 175.182 176.221 -1.039 1
1 1054 . 15 1 1 A 88 88 ASN N N 88 115.016 117.383 -2.367 1
1 1055 . 15 1 1 A 88 88 ASN H H 88 7.932 7.945 -0.013 1
1 1056 . 15 1 1 A 88 88 ASN CA C 88 54.081 54.187 -0.106 1
1 1057 . 15 1 1 A 88 88 ASN HA H 88 4.384 4.383 0.001 1
1 1058 . 15 1 1 A 88 88 ASN CB C 88 36.809 37.435 -0.626 1
1 1064 . 15 1 1 A 88 88 ASN C C 88 173.426 174.485 -1.059 1
1 1065 . 15 1 1 A 89 89 PHE N N 89 119.795 118.697 1.098 1
1 1066 . 15 1 1 A 89 89 PHE H H 89 7.739 8.354 -0.615 1
1 1067 . 15 1 1 A 89 89 PHE CA C 89 56.231 56.835 -0.604 1
1 1068 . 15 1 1 A 89 89 PHE HA H 89 4.887 4.885 0.002 1
1 1069 . 15 1 1 A 89 89 PHE CB C 89 43.188 42.922 0.266 1
1 1082 . 15 1 1 A 89 89 PHE C C 89 172.386 174.027 -1.641 1
1 1083 . 15 1 1 A 90 90 SER N N 90 117.020 120.718 -3.698 1
1 1084 . 15 1 1 A 90 90 SER H H 90 7.301 8.382 -1.081 1
1 1085 . 15 1 1 A 90 90 SER CA C 90 56.762 56.656 0.106 1
1 1086 . 15 1 1 A 90 90 SER HA H 90 4.667 5.289 -0.622 1
1 1087 . 15 1 1 A 90 90 SER CB C 90 64.885 65.954 -1.069 1
1 1090 . 15 1 1 A 90 90 SER C C 90 172.726 173.528 -0.802 1
1 1091 . 15 1 1 A 91 91 VAL N N 91 126.604 122.606 3.998 1
1 1092 . 15 1 1 A 91 91 VAL H H 91 8.959 9.096 -0.137 1
1 1093 . 15 1 1 A 91 91 VAL CA C 91 59.173 58.959 0.214 1
1 1094 . 15 1 1 A 91 91 VAL HA H 91 4.336 4.579 -0.243 1
1 1095 . 15 1 1 A 91 91 VAL CB C 91 33.703 35.840 -2.137 1
1 1105 . 15 1 1 A 91 91 VAL C C 91 173.886 173.763 0.123 1
1 1106 . 15 1 1 A 92 92 PRO CA C 92 62.618 62.823 -0.205 1
1 1107 . 15 1 1 A 92 92 PRO HA H 92 4.481 4.615 -0.134 1
1 1108 . 15 1 1 A 92 92 PRO CB C 92 33.302 32.832 0.470 1
1 1117 . 15 1 1 A 92 92 PRO C C 92 177.410 177.049 0.361 1
1 1118 . 15 1 1 A 93 93 ASP N N 93 123.319 122.164 1.155 1
1 1119 . 15 1 1 A 93 93 ASP H H 93 8.854 8.690 0.164 1
1 1120 . 15 1 1 A 93 93 ASP CA C 93 58.347 56.784 1.563 1
1 1121 . 15 1 1 A 93 93 ASP HA H 93 4.298 4.319 -0.021 1
1 1122 . 15 1 1 A 93 93 ASP CB C 93 40.916 40.450 0.466 1
1 1125 . 15 1 1 A 93 93 ASP C C 93 178.221 178.026 0.195 1
1 1126 . 15 1 1 A 94 94 ASP N N 94 116.740 120.750 -4.010 1
1 1127 . 15 1 1 A 94 94 ASP H H 94 8.955 8.090 0.865 1
1 1128 . 15 1 1 A 94 94 ASP CA C 94 56.851 57.079 -0.228 1
1 1129 . 15 1 1 A 94 94 ASP HA H 94 4.222 4.468 -0.246 1
1 1130 . 15 1 1 A 94 94 ASP CB C 94 39.733 40.502 -0.769 1
1 1133 . 15 1 1 A 94 94 ASP C C 94 178.344 178.602 -0.258 1
1 1134 . 15 1 1 A 95 95 VAL N N 95 121.559 121.194 0.365 1
1 1135 . 15 1 1 A 95 95 VAL H H 95 6.935 7.453 -0.518 1
1 1136 . 15 1 1 A 95 95 VAL CA C 95 66.007 66.655 -0.648 1
1 1137 . 15 1 1 A 95 95 VAL HA H 95 3.378 3.521 -0.143 1
1 1138 . 15 1 1 A 95 95 VAL CB C 95 31.712 31.604 0.108 1
1 1148 . 15 1 1 A 95 95 VAL C C 95 177.153 177.715 -0.562 1
1 1149 . 15 1 1 A 96 96 MET N N 96 118.492 116.977 1.515 1
1 1150 . 15 1 1 A 96 96 MET H H 96 7.993 7.799 0.194 1
1 1151 . 15 1 1 A 96 96 MET CA C 96 60.318 58.947 1.371 1
1 1152 . 15 1 1 A 96 96 MET HA H 96 3.037 3.688 -0.651 1
1 1153 . 15 1 1 A 96 96 MET CB C 96 33.348 32.286 1.062 1
1 1163 . 15 1 1 A 96 96 MET C C 96 176.993 178.706 -1.713 1
1 1164 . 15 1 1 A 97 97 ARG N N 97 116.593 118.806 -2.213 1
1 1165 . 15 1 1 A 97 97 ARG H H 97 7.668 7.727 -0.059 1
1 1166 . 15 1 1 A 97 97 ARG CA C 97 60.372 59.761 0.611 1
1 1167 . 15 1 1 A 97 97 ARG HA H 97 3.772 3.945 -0.173 1
1 1168 . 15 1 1 A 97 97 ARG CB C 97 29.627 29.980 -0.353 1
1 1177 . 15 1 1 A 97 97 ARG C C 97 177.718 178.979 -1.261 1
1 1178 . 15 1 1 A 98 98 LYS N N 98 118.000 119.244 -1.244 1
1 1179 . 15 1 1 A 98 98 LYS H H 98 7.279 7.195 0.084 1
1 1180 . 15 1 1 A 98 98 LYS CA C 98 59.942 59.147 0.795 1
1 1181 . 15 1 1 A 98 98 LYS HA H 98 4.035 4.025 0.010 1
1 1182 . 15 1 1 A 98 98 LYS CB C 98 33.307 32.428 0.879 1
1 1194 . 15 1 1 A 98 98 LYS C C 98 178.861 178.910 -0.049 1
1 1195 . 15 1 1 A 99 99 ILE N N 99 119.736 121.106 -1.370 1
1 1196 . 15 1 1 A 99 99 ILE H H 99 8.298 7.833 0.465 1
1 1197 . 15 1 1 A 99 99 ILE CA C 99 65.451 65.548 -0.097 1
1 1198 . 15 1 1 A 99 99 ILE HA H 99 3.473 3.534 -0.061 1
1 1199 . 15 1 1 A 99 99 ILE CB C 99 38.088 37.360 0.728 1
1 1212 . 15 1 1 A 99 99 ILE C C 99 181.472 177.830 3.642 1
1 1213 . 15 1 1 A 100 100 ALA N N 100 124.832 121.258 3.574 1
1 1214 . 15 1 1 A 100 100 ALA H H 100 8.473 7.826 0.647 1
1 1215 . 15 1 1 A 100 100 ALA CA C 100 54.623 54.217 0.406 1
1 1216 . 15 1 1 A 100 100 ALA HA H 100 4.481 4.112 0.369 1
1 1217 . 15 1 1 A 100 100 ALA CB C 100 19.106 18.344 0.762 1
1 1221 . 15 1 1 A 100 100 ALA C C 100 177.755 178.687 -0.932 1
1 1222 . 15 1 1 A 101 101 GLN N N 101 113.891 115.128 -1.237 1
1 1223 . 15 1 1 A 101 101 GLN H H 101 7.665 7.387 0.278 1
1 1224 . 15 1 1 A 101 101 GLN CA C 101 55.681 55.278 0.403 1
1 1225 . 15 1 1 A 101 101 GLN HA H 101 4.378 4.453 -0.075 1
1 1226 . 15 1 1 A 101 101 GLN CB C 101 28.879 28.516 0.363 1
1 1235 . 15 1 1 A 101 101 GLN C C 101 175.604 175.213 0.391 1
1 1236 . 15 1 1 A 102 102 CYS N N 102 114.274 117.245 -2.971 1
1 1237 . 15 1 1 A 102 102 CYS H H 102 8.300 8.016 0.284 1
1 1238 . 15 1 1 A 102 102 CYS CA C 102 58.700 59.947 -1.247 1
1 1239 . 15 1 1 A 102 102 CYS HA H 102 4.030 4.142 -0.112 1
1 1240 . 15 1 1 A 102 102 CYS CB C 102 24.987 25.437 -0.450 1
1 1243 . 15 1 1 A 102 102 CYS C C 102 174.186 173.833 0.353 1
1 1244 . 15 1 1 A 103 103 ALA N N 103 123.512 124.033 -0.521 1
1 1245 . 15 1 1 A 103 103 ALA H H 103 8.175 7.583 0.592 1
1 1246 . 15 1 1 A 103 103 ALA CA C 103 50.841 49.422 1.419 1
1 1247 . 15 1 1 A 103 103 ALA HA H 103 4.458 4.535 -0.077 1
1 1248 . 15 1 1 A 103 103 ALA CB C 103 18.353 20.038 -1.685 1
1 1252 . 15 1 1 A 103 103 ALA C C 103 175.904 176.161 -0.257 1
1 1253 . 15 1 1 A 104 104 PRO CA C 104 64.290 63.742 0.548 1
1 1254 . 15 1 1 A 104 104 PRO HA H 104 4.315 4.309 0.006 1
1 1255 . 15 1 1 A 104 104 PRO CB C 104 32.028 31.441 0.587 1
1 1264 . 15 1 1 A 104 104 PRO C C 104 178.173 177.474 0.699 1
1 1265 . 15 1 1 A 105 105 GLY N N 105 113.466 112.118 1.348 1
1 1266 . 15 1 1 A 105 105 GLY H H 105 9.036 8.853 0.183 1
1 1267 . 15 1 1 A 105 105 GLY CA C 105 45.935 45.383 0.552 1
1 1268 . 15 1 1 A 105 105 GLY HA2 H 105 4.044 3.886 0.158 1
1 1269 . 15 1 1 A 105 105 GLY HA3 H 105 3.832 3.891 -0.059 1
1 1270 . 15 1 1 A 105 105 GLY C C 105 174.928 174.527 0.401 1
1 1271 . 15 1 1 A 106 106 VAL N N 106 117.991 119.944 -1.953 1
1 1272 . 15 1 1 A 106 106 VAL H H 106 6.964 7.332 -0.368 1
1 1273 . 15 1 1 A 106 106 VAL CA C 106 66.071 64.341 1.730 1
1 1274 . 15 1 1 A 106 106 VAL HA H 106 3.842 4.189 -0.347 1
1 1275 . 15 1 1 A 106 106 VAL CB C 106 31.337 32.520 -1.183 1
1 1285 . 15 1 1 A 106 106 VAL C C 106 178.061 177.769 0.292 1
1 1286 . 15 1 1 A 107 107 VAL N N 107 121.474 120.223 1.251 1
1 1287 . 15 1 1 A 107 107 VAL H H 107 9.039 8.121 0.918 1
1 1288 . 15 1 1 A 107 107 VAL CA C 107 65.971 65.343 0.628 1
1 1289 . 15 1 1 A 107 107 VAL HA H 107 3.743 3.634 0.109 1
1 1290 . 15 1 1 A 107 107 VAL CB C 107 30.959 31.193 -0.234 1
1 1300 . 15 1 1 A 107 107 VAL C C 107 177.629 177.508 0.121 1
1 1301 . 15 1 1 A 108 108 GLU N N 108 126.242 122.271 3.971 1
1 1302 . 15 1 1 A 108 108 GLU H H 108 11.107 8.329 2.778 1
1 1303 . 15 1 1 A 108 108 GLU CA C 108 62.429 59.354 3.075 1
1 1304 . 15 1 1 A 108 108 GLU HA H 108 3.584 3.942 -0.358 1
1 1305 . 15 1 1 A 108 108 GLU CB C 108 28.863 29.216 -0.353 1
1 1311 . 15 1 1 A 108 108 GLU C C 108 176.878 178.953 -2.075 1
1 1312 . 15 1 1 A 109 109 LEU N N 109 114.111 120.100 -5.989 1
1 1313 . 15 1 1 A 109 109 LEU H H 109 7.474 7.878 -0.404 1
1 1314 . 15 1 1 A 109 109 LEU CA C 109 56.293 57.827 -1.534 1
1 1315 . 15 1 1 A 109 109 LEU HA H 109 4.024 4.026 -0.002 1
1 1316 . 15 1 1 A 109 109 LEU CB C 109 40.846 41.636 -0.790 1
1 1329 . 15 1 1 A 109 109 LEU C C 109 178.647 178.564 0.083 1
1 1330 . 15 1 1 A 110 110 VAL N N 110 116.984 118.463 -1.479 1
1 1331 . 15 1 1 A 110 110 VAL H H 110 7.557 7.645 -0.088 1
1 1332 . 15 1 1 A 110 110 VAL CA C 110 64.274 64.894 -0.620 1
1 1333 . 15 1 1 A 110 110 VAL HA H 110 4.206 3.986 0.220 1
1 1334 . 15 1 1 A 110 110 VAL CB C 110 33.070 32.138 0.932 1
1 1344 . 15 1 1 A 110 110 VAL C C 110 176.435 178.287 -1.852 1
1 1345 . 15 1 1 A 111 111 LEU N N 111 118.461 119.501 -1.040 1
1 1346 . 15 1 1 A 111 111 LEU H H 111 8.453 8.169 0.284 1
1 1347 . 15 1 1 A 111 111 LEU CA C 111 58.047 57.704 0.343 1
1 1348 . 15 1 1 A 111 111 LEU HA H 111 4.003 4.146 -0.143 1
1 1349 . 15 1 1 A 111 111 LEU CB C 111 43.552 41.108 2.444 1
1 1362 . 15 1 1 A 111 111 LEU C C 111 177.274 179.256 -1.982 1
1 1363 . 15 1 1 A 112 112 ILE N N 112 115.835 119.892 -4.057 1
1 1364 . 15 1 1 A 112 112 ILE H H 112 7.850 8.207 -0.357 1
1 1365 . 15 1 1 A 112 112 ILE CA C 112 67.843 66.524 1.319 1
1 1366 . 15 1 1 A 112 112 ILE HA H 112 3.636 3.696 -0.060 1
1 1367 . 15 1 1 A 112 112 ILE CB C 112 36.504 35.988 0.516 1
1 1380 . 15 1 1 A 112 112 ILE C C 112 176.487 175.213 1.274 1
1 1381 . 15 1 1 A 113 113 PRO CA C 113 64.872 65.969 -1.097 1
1 1382 . 15 1 1 A 113 113 PRO HA H 113 4.420 4.587 -0.167 1
1 1383 . 15 1 1 A 113 113 PRO CB C 113 30.348 30.772 -0.424 1
1 1392 . 15 1 1 A 113 113 PRO C C 113 179.001 178.656 0.345 1
1 1393 . 15 1 1 A 114 114 LEU N N 114 120.690 118.211 2.479 1
1 1394 . 15 1 1 A 114 114 LEU H H 114 7.672 7.577 0.095 1
1 1395 . 15 1 1 A 114 114 LEU CA C 114 58.337 58.118 0.219 1
1 1396 . 15 1 1 A 114 114 LEU HA H 114 3.490 3.719 -0.229 1
1 1397 . 15 1 1 A 114 114 LEU CB C 114 41.840 41.992 -0.152 1
1 1410 . 15 1 1 A 114 114 LEU C C 114 177.486 178.401 -0.915 1
1 1411 . 15 1 1 A 115 115 ARG N N 115 119.039 118.621 0.418 1
1 1412 . 15 1 1 A 115 115 ARG H H 115 8.159 7.689 0.470 1
1 1413 . 15 1 1 A 115 115 ARG CA C 115 60.199 59.391 0.808 1
1 1414 . 15 1 1 A 115 115 ARG HA H 115 3.215 3.464 -0.249 1
1 1415 . 15 1 1 A 115 115 ARG CB C 115 28.049 28.908 -0.859 1
1 1426 . 15 1 1 A 115 115 ARG C C 115 177.460 178.633 -1.173 1
1 1427 . 15 1 1 A 116 116 GLN N N 116 115.221 118.231 -3.010 1
1 1428 . 15 1 1 A 116 116 GLN H H 116 6.825 7.662 -0.837 1
1 1429 . 15 1 1 A 116 116 GLN CA C 116 58.838 59.102 -0.264 1
1 1430 . 15 1 1 A 116 116 GLN HA H 116 3.830 3.824 0.006 1
1 1431 . 15 1 1 A 116 116 GLN CB C 116 27.871 28.118 -0.247 1
1 1440 . 15 1 1 A 116 116 GLN C C 116 178.648 178.735 -0.087 1
1 1441 . 15 1 1 A 117 117 ARG N N 117 118.476 119.672 -1.196 1
1 1442 . 15 1 1 A 117 117 ARG H H 117 8.028 8.002 0.026 1
1 1443 . 15 1 1 A 117 117 ARG CA C 117 57.607 59.126 -1.519 1
1 1444 . 15 1 1 A 117 117 ARG HA H 117 4.117 4.050 0.067 1
1 1445 . 15 1 1 A 117 117 ARG CB C 117 30.040 30.195 -0.155 1
1 1454 . 15 1 1 A 117 117 ARG C C 117 179.370 178.436 0.934 1
1 1455 . 15 1 1 A 118 118 LEU N N 118 120.407 120.116 0.291 1
1 1456 . 15 1 1 A 118 118 LEU H H 118 8.533 8.218 0.315 1
1 1457 . 15 1 1 A 118 118 LEU CA C 118 58.295 57.693 0.602 1
1 1458 . 15 1 1 A 118 118 LEU HA H 118 3.950 3.905 0.045 1
1 1459 . 15 1 1 A 118 118 LEU CB C 118 40.472 41.378 -0.906 1
1 1472 . 15 1 1 A 118 118 LEU C C 118 178.577 178.586 -0.009 1
1 1473 . 15 1 1 A 119 119 GLU N N 119 116.858 116.804 0.054 1
1 1474 . 15 1 1 A 119 119 GLU H H 119 8.220 7.932 0.288 1
1 1475 . 15 1 1 A 119 119 GLU CA C 119 59.441 59.587 -0.146 1
1 1476 . 15 1 1 A 119 119 GLU HA H 119 4.047 3.771 0.276 1
1 1477 . 15 1 1 A 119 119 GLU CB C 119 29.271 29.245 0.026 1
1 1483 . 15 1 1 A 119 119 GLU C C 119 179.631 178.874 0.757 1
1 1484 . 15 1 1 A 120 120 GLU N N 120 119.797 120.260 -0.463 1
1 1485 . 15 1 1 A 120 120 GLU H H 120 8.199 8.167 0.032 1
1 1486 . 15 1 1 A 120 120 GLU CA C 120 59.223 59.372 -0.149 1
1 1487 . 15 1 1 A 120 120 GLU HA H 120 4.062 3.995 0.067 1
1 1488 . 15 1 1 A 120 120 GLU CB C 120 29.562 29.076 0.486 1
1 1494 . 15 1 1 A 120 120 GLU C C 120 178.823 178.824 -0.001 1
1 1495 . 15 1 1 A 121 121 ARG N N 121 118.760 119.618 -0.858 1
1 1496 . 15 1 1 A 121 121 ARG H H 121 7.928 8.044 -0.116 1
1 1497 . 15 1 1 A 121 121 ARG CA C 121 58.065 58.886 -0.821 1
1 1498 . 15 1 1 A 121 121 ARG HA H 121 4.136 4.238 -0.102 1
1 1499 . 15 1 1 A 121 121 ARG CB C 121 29.478 29.997 -0.519 1
1 1508 . 15 1 1 A 121 121 ARG C C 121 178.426 178.421 0.005 1
1 1509 . 15 1 1 A 122 122 GLN N N 122 119.430 119.482 -0.052 1
1 1510 . 15 1 1 A 122 122 GLN H H 122 8.323 8.469 -0.146 1
1 1511 . 15 1 1 A 122 122 GLN CA C 122 58.489 58.827 -0.338 1
1 1512 . 15 1 1 A 122 122 GLN HA H 122 4.352 4.079 0.273 1
1 1513 . 15 1 1 A 122 122 GLN CB C 122 29.611 28.802 0.809 1
1 1522 . 15 1 1 A 122 122 GLN C C 122 177.291 178.330 -1.039 1
1 1523 . 15 1 1 A 123 123 ARG N N 123 118.341 118.639 -0.298 1
1 1524 . 15 1 1 A 123 123 ARG H H 123 7.920 7.941 -0.021 1
1 1525 . 15 1 1 A 123 123 ARG CA C 123 57.695 59.107 -1.412 1
1 1526 . 15 1 1 A 123 123 ARG HA H 123 4.266 4.138 0.128 1
1 1527 . 15 1 1 A 123 123 ARG CB C 123 30.671 30.165 0.506 1
1 1536 . 15 1 1 A 123 123 ARG C C 123 177.214 176.974 0.240 1
1 1537 . 15 1 1 A 124 124 ARG N N 124 119.452 121.243 -1.791 1
1 1538 . 15 1 1 A 124 124 ARG H H 124 7.850 7.370 0.480 1
1 1539 . 15 1 1 A 124 124 ARG CA C 124 56.814 57.041 -0.227 1
1 1540 . 15 1 1 A 124 124 ARG HA H 124 4.300 4.316 -0.016 1
1 1541 . 15 1 1 A 124 124 ARG CB C 124 30.672 30.841 -0.169 1
1 1550 . 15 1 1 A 124 124 ARG C C 124 176.540 176.118 0.422 1
1 1551 . 15 1 1 A 125 125 ARG N N 125 120.963 121.529 -0.566 1
1 1552 . 15 1 1 A 125 125 ARG H H 125 8.081 8.294 -0.213 1
1 1553 . 15 1 1 A 125 125 ARG CA C 125 56.514 55.590 0.924 1
1 1554 . 15 1 1 A 125 125 ARG HA H 125 4.355 4.572 -0.217 1
1 1555 . 15 1 1 A 125 125 ARG CB C 125 30.694 31.539 -0.845 1
1 1564 . 15 1 1 A 125 125 ARG C C 125 176.133 176.020 0.113 1
1 1565 . 15 1 1 A 126 126 LYS N N 126 122.811 120.860 1.951 1
1 1566 . 15 1 1 A 126 126 LYS H H 126 8.252 8.625 -0.373 1
1 1567 . 15 1 1 A 126 126 LYS CA C 126 56.430 54.979 1.451 1
1 1568 . 15 1 1 A 126 126 LYS HA H 126 4.351 4.548 -0.197 1
1 1569 . 15 1 1 A 126 126 LYS CB C 126 33.017 33.630 -0.613 1
1 1581 . 15 1 1 A 126 126 LYS C C 126 175.649 177.645 -1.996 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.715 56.496 2.219 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.472 5.278 -0.806 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.934 66.352 -2.418 1
1 6 . 16 1 1 A 6 6 SER C C 6 174.927 173.401 1.526 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.435 107.835 2.600 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.348 8.385 -0.037 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.364 45.983 -0.619 1
1 10 . 16 1 1 A 7 7 GLY HA2 H 7 3.919 4.147 -0.228 1
1 11 . 16 1 1 A 7 7 GLY HA3 H 7 3.919 4.147 -0.228 1
1 12 . 16 1 1 A 7 7 GLY C C 7 173.952 172.246 1.706 1
1 13 . 16 1 1 A 8 8 MET N N 8 119.481 121.873 -2.392 1
1 14 . 16 1 1 A 8 8 MET H H 8 8.163 9.148 -0.985 1
1 15 . 16 1 1 A 8 8 MET CA C 8 55.472 53.133 2.339 1
1 16 . 16 1 1 A 8 8 MET HA H 8 4.486 5.524 -1.038 1
1 17 . 16 1 1 A 8 8 MET CB C 8 33.598 34.906 -1.308 1
1 27 . 16 1 1 A 8 8 MET C C 8 176.019 174.867 1.152 1
1 28 . 16 1 1 A 9 9 ALA N N 9 125.433 122.520 2.913 1
1 29 . 16 1 1 A 9 9 ALA H H 9 8.436 8.984 -0.548 1
1 30 . 16 1 1 A 9 9 ALA CA C 9 52.481 51.197 1.284 1
1 31 . 16 1 1 A 9 9 ALA HA H 9 4.381 4.913 -0.532 1
1 32 . 16 1 1 A 9 9 ALA CB C 9 19.322 24.288 -4.966 1
1 36 . 16 1 1 A 9 9 ALA C C 9 177.349 175.162 2.187 1
1 37 . 16 1 1 A 10 10 SER N N 10 114.383 116.784 -2.401 1
1 38 . 16 1 1 A 10 10 SER H H 10 8.372 8.597 -0.225 1
1 39 . 16 1 1 A 10 10 SER CA C 10 58.607 57.534 1.073 1
1 40 . 16 1 1 A 10 10 SER HA H 10 4.470 5.409 -0.939 1
1 41 . 16 1 1 A 10 10 SER CB C 10 63.979 65.050 -1.071 1
1 44 . 16 1 1 A 10 10 SER C C 10 174.323 173.183 1.140 1
1 45 . 16 1 1 A 11 11 SER N N 11 116.549 119.049 -2.500 1
1 46 . 16 1 1 A 11 11 SER H H 11 8.111 8.959 -0.848 1
1 47 . 16 1 1 A 11 11 SER CA C 11 58.189 57.468 0.721 1
1 48 . 16 1 1 A 11 11 SER HA H 11 4.487 4.990 -0.503 1
1 49 . 16 1 1 A 11 11 SER CB C 11 64.081 66.271 -2.190 1
1 52 . 16 1 1 A 11 11 SER C C 11 173.692 172.181 1.511 1
1 53 . 16 1 1 A 12 12 VAL N N 12 120.502 121.197 -0.695 1
1 54 . 16 1 1 A 12 12 VAL H H 12 8.207 8.596 -0.389 1
1 55 . 16 1 1 A 12 12 VAL CA C 12 61.847 61.274 0.573 1
1 56 . 16 1 1 A 12 12 VAL HA H 12 4.150 4.724 -0.574 1
1 57 . 16 1 1 A 12 12 VAL CB C 12 33.269 33.209 0.060 1
1 67 . 16 1 1 A 12 12 VAL C C 12 174.930 174.716 0.214 1
1 68 . 16 1 1 A 13 13 ASP N N 13 124.104 126.557 -2.453 1
1 69 . 16 1 1 A 13 13 ASP H H 13 7.953 8.468 -0.515 1
1 70 . 16 1 1 A 13 13 ASP CA C 13 53.249 52.291 0.958 1
1 71 . 16 1 1 A 13 13 ASP HA H 13 4.661 5.021 -0.360 1
1 72 . 16 1 1 A 13 13 ASP CB C 13 41.891 44.462 -2.571 1
1 75 . 16 1 1 A 13 13 ASP C C 13 176.009 175.989 0.020 1
1 76 . 16 1 1 A 14 14 GLU N N 14 120.197 121.983 -1.786 1
1 77 . 16 1 1 A 14 14 GLU H H 14 8.568 8.994 -0.426 1
1 78 . 16 1 1 A 14 14 GLU CA C 14 59.932 59.553 0.379 1
1 79 . 16 1 1 A 14 14 GLU HA H 14 3.944 4.013 -0.069 1
1 80 . 16 1 1 A 14 14 GLU CB C 14 29.670 29.184 0.486 1
1 86 . 16 1 1 A 14 14 GLU C C 14 178.863 178.782 0.081 1
1 87 . 16 1 1 A 15 15 GLU N N 15 120.713 119.859 0.854 1
1 88 . 16 1 1 A 15 15 GLU H H 15 8.312 8.479 -0.167 1
1 89 . 16 1 1 A 15 15 GLU CA C 15 59.101 59.571 -0.470 1
1 90 . 16 1 1 A 15 15 GLU HA H 15 4.244 4.133 0.111 1
1 91 . 16 1 1 A 15 15 GLU CB C 15 28.917 29.475 -0.558 1
1 97 . 16 1 1 A 15 15 GLU C C 15 178.511 178.076 0.435 1
1 98 . 16 1 1 A 16 16 ALA N N 16 123.041 121.883 1.158 1
1 99 . 16 1 1 A 16 16 ALA H H 16 8.047 8.254 -0.207 1
1 100 . 16 1 1 A 16 16 ALA CA C 16 54.830 55.119 -0.289 1
1 101 . 16 1 1 A 16 16 ALA HA H 16 4.093 4.063 0.030 1
1 102 . 16 1 1 A 16 16 ALA CB C 16 18.371 18.495 -0.124 1
1 106 . 16 1 1 A 16 16 ALA C C 16 181.428 180.194 1.234 1
1 107 . 16 1 1 A 17 17 LEU N N 17 119.436 118.357 1.079 1
1 108 . 16 1 1 A 17 17 LEU H H 17 8.042 7.565 0.477 1
1 109 . 16 1 1 A 17 17 LEU CA C 17 57.623 57.933 -0.310 1
1 110 . 16 1 1 A 17 17 LEU HA H 17 3.838 3.788 0.050 1
1 111 . 16 1 1 A 17 17 LEU CB C 17 41.323 42.084 -0.761 1
1 124 . 16 1 1 A 17 17 LEU C C 17 177.590 178.923 -1.333 1
1 125 . 16 1 1 A 18 18 HIS N N 18 118.394 117.703 0.691 1
1 126 . 16 1 1 A 18 18 HIS H H 18 8.182 8.407 -0.225 1
1 127 . 16 1 1 A 18 18 HIS CA C 18 59.415 60.255 -0.840 1
1 128 . 16 1 1 A 18 18 HIS HA H 18 4.435 4.312 0.123 1
1 129 . 16 1 1 A 18 18 HIS CB C 18 29.560 29.691 -0.131 1
1 136 . 16 1 1 A 18 18 HIS C C 18 178.114 176.669 1.445 1
1 137 . 16 1 1 A 19 19 GLN N N 19 115.623 117.054 -1.431 1
1 138 . 16 1 1 A 19 19 GLN H H 19 8.178 8.192 -0.014 1
1 139 . 16 1 1 A 19 19 GLN CA C 19 58.406 59.261 -0.855 1
1 140 . 16 1 1 A 19 19 GLN HA H 19 3.904 3.821 0.083 1
1 141 . 16 1 1 A 19 19 GLN CB C 19 28.118 28.198 -0.080 1
1 150 . 16 1 1 A 19 19 GLN C C 19 179.132 178.575 0.557 1
1 151 . 16 1 1 A 20 20 LEU N N 20 122.817 121.654 1.163 1
1 152 . 16 1 1 A 20 20 LEU H H 20 7.949 7.718 0.231 1
1 153 . 16 1 1 A 20 20 LEU CA C 20 58.278 57.791 0.487 1
1 154 . 16 1 1 A 20 20 LEU HA H 20 4.233 4.078 0.155 1
1 155 . 16 1 1 A 20 20 LEU CB C 20 40.850 41.823 -0.973 1
1 168 . 16 1 1 A 20 20 LEU C C 20 178.466 178.131 0.335 1
1 169 . 16 1 1 A 21 21 TYR N N 21 118.825 118.961 -0.136 1
1 170 . 16 1 1 A 21 21 TYR H H 21 8.376 7.778 0.598 1
1 171 . 16 1 1 A 21 21 TYR CA C 21 60.605 60.843 -0.238 1
1 172 . 16 1 1 A 21 21 TYR HA H 21 4.286 4.349 -0.063 1
1 173 . 16 1 1 A 21 21 TYR CB C 21 36.667 38.534 -1.867 1
1 184 . 16 1 1 A 21 21 TYR C C 21 178.654 178.407 0.247 1
1 185 . 16 1 1 A 22 22 LEU N N 22 118.954 119.787 -0.833 1
1 186 . 16 1 1 A 22 22 LEU H H 22 7.869 9.136 -1.267 1
1 187 . 16 1 1 A 22 22 LEU CA C 22 57.887 58.230 -0.343 1
1 188 . 16 1 1 A 22 22 LEU HA H 22 4.076 3.955 0.121 1
1 189 . 16 1 1 A 22 22 LEU CB C 22 42.250 41.657 0.593 1
1 202 . 16 1 1 A 22 22 LEU C C 22 178.877 178.749 0.128 1
1 203 . 16 1 1 A 23 23 TRP N N 23 120.668 120.338 0.330 1
1 204 . 16 1 1 A 23 23 TRP H H 23 7.804 8.229 -0.425 1
1 205 . 16 1 1 A 23 23 TRP CA C 23 60.711 61.302 -0.591 1
1 206 . 16 1 1 A 23 23 TRP HA H 23 4.436 4.192 0.244 1
1 207 . 16 1 1 A 23 23 TRP CB C 23 28.035 29.889 -1.854 1
1 222 . 16 1 1 A 23 23 TRP C C 23 178.471 178.340 0.131 1
1 223 . 16 1 1 A 24 24 VAL N N 24 116.831 119.614 -2.783 1
1 224 . 16 1 1 A 24 24 VAL H H 24 8.503 8.030 0.473 1
1 225 . 16 1 1 A 24 24 VAL CA C 24 66.014 66.470 -0.456 1
1 226 . 16 1 1 A 24 24 VAL HA H 24 3.084 3.055 0.029 1
1 227 . 16 1 1 A 24 24 VAL CB C 24 31.826 31.643 0.183 1
1 237 . 16 1 1 A 24 24 VAL C C 24 178.212 177.458 0.754 1
1 238 . 16 1 1 A 25 25 ASP N N 25 117.894 119.878 -1.984 1
1 239 . 16 1 1 A 25 25 ASP H H 25 8.140 7.950 0.190 1
1 240 . 16 1 1 A 25 25 ASP CA C 25 57.043 57.849 -0.806 1
1 241 . 16 1 1 A 25 25 ASP HA H 25 4.290 4.223 0.067 1
1 242 . 16 1 1 A 25 25 ASP CB C 25 41.067 42.087 -1.020 1
1 245 . 16 1 1 A 25 25 ASP C C 25 177.163 178.024 -0.861 1
1 246 . 16 1 1 A 26 26 ASN N N 26 114.914 116.301 -1.387 1
1 247 . 16 1 1 A 26 26 ASN H H 26 7.229 8.170 -0.941 1
1 248 . 16 1 1 A 26 26 ASN CA C 26 53.375 55.881 -2.506 1
1 249 . 16 1 1 A 26 26 ASN HA H 26 4.607 4.425 0.182 1
1 250 . 16 1 1 A 26 26 ASN CB C 26 40.048 38.920 1.128 1
1 256 . 16 1 1 A 26 26 ASN C C 26 174.227 175.818 -1.591 1
1 257 . 16 1 1 A 27 27 ILE N N 27 123.268 119.370 3.898 1
1 258 . 16 1 1 A 27 27 ILE H H 27 7.212 7.593 -0.381 1
1 259 . 16 1 1 A 27 27 ILE CA C 27 58.327 59.867 -1.540 1
1 260 . 16 1 1 A 27 27 ILE HA H 27 3.628 4.195 -0.567 1
1 261 . 16 1 1 A 27 27 ILE CB C 27 39.403 38.026 1.377 1
1 274 . 16 1 1 A 27 27 ILE C C 27 173.764 175.709 -1.945 1
1 275 . 16 1 1 A 28 28 PRO CA C 28 62.584 63.567 -0.983 1
1 276 . 16 1 1 A 28 28 PRO HA H 28 4.354 4.519 -0.165 1
1 277 . 16 1 1 A 28 28 PRO CB C 28 30.056 32.128 -2.072 1
1 286 . 16 1 1 A 28 28 PRO C C 28 175.419 176.311 -0.892 1
1 287 . 16 1 1 A 29 29 LEU N N 29 125.355 121.523 3.832 1
1 288 . 16 1 1 A 29 29 LEU H H 29 8.118 7.613 0.505 1
1 289 . 16 1 1 A 29 29 LEU CA C 29 53.358 55.727 -2.369 1
1 290 . 16 1 1 A 29 29 LEU HA H 29 4.748 4.086 0.662 1
1 291 . 16 1 1 A 29 29 LEU CB C 29 45.279 41.902 3.377 1
1 304 . 16 1 1 A 29 29 LEU C C 29 178.577 177.693 0.884 1
1 305 . 16 1 1 A 31 31 ARG CA C 31 53.250 54.912 -1.662 1
1 306 . 16 1 1 A 31 31 ARG HA H 31 4.787 4.199 0.588 1
1 307 . 16 1 1 A 31 31 ARG CB C 31 32.107 30.877 1.230 1
1 316 . 16 1 1 A 32 32 PRO CA C 32 62.865 62.203 0.662 1
1 317 . 16 1 1 A 32 32 PRO HA H 32 4.300 4.584 -0.284 1
1 318 . 16 1 1 A 32 32 PRO CB C 32 32.193 33.045 -0.852 1
1 327 . 16 1 1 A 33 33 LYS CA C 33 56.154 55.904 0.250 1
1 328 . 16 1 1 A 33 33 LYS HA H 33 4.361 4.899 -0.538 1
1 329 . 16 1 1 A 33 33 LYS CB C 33 32.368 34.105 -1.737 1
1 341 . 16 1 1 A 34 34 ARG N N 34 122.768 123.545 -0.777 1
1 342 . 16 1 1 A 34 34 ARG H H 34 8.410 8.514 -0.104 1
1 343 . 16 1 1 A 34 34 ARG HA H 34 4.336 4.683 -0.347 1
1 344 . 16 1 1 A 34 34 ARG CB C 34 31.894 33.941 -2.047 1
1 349 . 16 1 1 A 35 35 ASN CA C 35 53.153 54.012 -0.859 1
1 350 . 16 1 1 A 35 35 ASN HA H 35 4.771 4.521 0.250 1
1 351 . 16 1 1 A 35 35 ASN CB C 35 39.425 39.754 -0.329 1
1 357 . 16 1 1 A 36 36 LEU N N 36 110.943 129.483 -18.540 1
1 358 . 16 1 1 A 36 36 LEU H H 36 8.305 8.760 -0.455 1
1 359 . 16 1 1 A 36 36 LEU CA C 36 60.191 58.425 1.766 1
1 360 . 16 1 1 A 36 36 LEU HA H 36 4.140 4.217 -0.077 1
1 361 . 16 1 1 A 36 36 LEU CB C 36 41.876 41.441 0.435 1
1 374 . 16 1 1 A 37 37 SER CA C 37 61.673 61.697 -0.024 1
1 375 . 16 1 1 A 37 37 SER HA H 37 4.080 4.067 0.013 1
1 376 . 16 1 1 A 37 37 SER CB C 37 62.700 63.046 -0.346 1
1 379 . 16 1 1 A 38 38 ARG N N 38 119.288 121.532 -2.244 1
1 380 . 16 1 1 A 38 38 ARG H H 38 7.773 7.889 -0.116 1
1 381 . 16 1 1 A 38 38 ARG HA H 38 4.587 4.145 0.442 1
1 384 . 16 1 1 A 39 39 ASP N N 39 121.607 118.954 2.653 1
1 385 . 16 1 1 A 39 39 ASP H H 39 9.487 8.385 1.102 1
1 386 . 16 1 1 A 39 39 ASP CA C 39 58.026 57.359 0.667 1
1 387 . 16 1 1 A 39 39 ASP HA H 39 4.518 4.376 0.142 1
1 388 . 16 1 1 A 39 39 ASP CB C 39 40.039 40.483 -0.444 1
1 391 . 16 1 1 A 40 40 PHE N N 40 115.310 118.882 -3.572 1
1 392 . 16 1 1 A 40 40 PHE H H 40 8.300 8.757 -0.457 1
1 393 . 16 1 1 A 40 40 PHE CA C 40 59.420 60.855 -1.435 1
1 394 . 16 1 1 A 40 40 PHE HA H 40 4.605 4.405 0.200 1
1 395 . 16 1 1 A 40 40 PHE CB C 40 39.030 38.355 0.675 1
1 408 . 16 1 1 A 41 41 SER N N 41 115.417 115.296 0.121 1
1 409 . 16 1 1 A 41 41 SER H H 41 7.441 8.381 -0.940 1
1 410 . 16 1 1 A 41 41 SER CA C 41 62.290 61.535 0.755 1
1 411 . 16 1 1 A 41 41 SER HA H 41 4.341 4.289 0.052 1
1 412 . 16 1 1 A 41 41 SER CB C 41 64.510 63.140 1.370 1
1 415 . 16 1 1 A 42 42 ASP N N 42 117.563 119.768 -2.205 1
1 416 . 16 1 1 A 42 42 ASP H H 42 8.726 7.697 1.029 1
1 417 . 16 1 1 A 42 42 ASP CA C 42 53.746 54.212 -0.466 1
1 418 . 16 1 1 A 42 42 ASP HA H 42 4.780 4.976 -0.196 1
1 419 . 16 1 1 A 42 42 ASP CB C 42 42.695 39.892 2.803 1
1 422 . 16 1 1 A 42 42 ASP C C 42 176.013 176.810 -0.797 1
1 423 . 16 1 1 A 43 43 GLY N N 43 106.643 111.541 -4.898 1
1 424 . 16 1 1 A 43 43 GLY H H 43 7.388 8.757 -1.369 1
1 425 . 16 1 1 A 43 43 GLY CA C 43 45.230 47.014 -1.784 1
1 426 . 16 1 1 A 43 43 GLY HA2 H 43 3.131 3.163 -0.032 1
1 427 . 16 1 1 A 43 43 GLY HA3 H 43 2.588 3.269 -0.681 1
1 428 . 16 1 1 A 43 43 GLY C C 43 173.476 175.545 -2.069 1
1 429 . 16 1 1 A 44 44 VAL N N 44 121.300 122.047 -0.747 1
1 430 . 16 1 1 A 44 44 VAL H H 44 7.874 7.980 -0.106 1
1 431 . 16 1 1 A 44 44 VAL CA C 44 67.198 65.779 1.419 1
1 432 . 16 1 1 A 44 44 VAL HA H 44 3.018 3.506 -0.488 1
1 433 . 16 1 1 A 44 44 VAL CB C 44 31.139 31.533 -0.394 1
1 443 . 16 1 1 A 44 44 VAL C C 44 177.853 178.473 -0.620 1
1 444 . 16 1 1 A 45 45 LEU N N 45 114.495 121.043 -6.548 1
1 445 . 16 1 1 A 45 45 LEU H H 45 8.945 8.350 0.595 1
1 446 . 16 1 1 A 45 45 LEU CA C 45 57.466 57.773 -0.307 1
1 447 . 16 1 1 A 45 45 LEU HA H 45 3.838 3.951 -0.113 1
1 448 . 16 1 1 A 45 45 LEU CB C 45 40.503 41.474 -0.971 1
1 461 . 16 1 1 A 45 45 LEU C C 45 179.257 178.452 0.805 1
1 462 . 16 1 1 A 46 46 VAL N N 46 118.354 119.304 -0.950 1
1 463 . 16 1 1 A 46 46 VAL H H 46 7.422 7.615 -0.193 1
1 464 . 16 1 1 A 46 46 VAL CA C 46 67.288 66.266 1.022 1
1 465 . 16 1 1 A 46 46 VAL HA H 46 3.469 3.272 0.197 1
1 466 . 16 1 1 A 46 46 VAL CB C 46 30.173 31.445 -1.272 1
1 476 . 16 1 1 A 46 46 VAL C C 46 176.954 177.862 -0.908 1
1 477 . 16 1 1 A 47 47 ALA N N 47 121.963 122.089 -0.126 1
1 478 . 16 1 1 A 47 47 ALA H H 47 7.272 7.992 -0.720 1
1 479 . 16 1 1 A 47 47 ALA CA C 47 55.991 55.823 0.168 1
1 480 . 16 1 1 A 47 47 ALA HA H 47 3.576 3.817 -0.241 1
1 481 . 16 1 1 A 47 47 ALA CB C 47 17.292 18.351 -1.059 1
1 485 . 16 1 1 A 47 47 ALA C C 47 178.880 180.027 -1.147 1
1 486 . 16 1 1 A 48 48 GLU N N 48 116.763 118.420 -1.657 1
1 487 . 16 1 1 A 48 48 GLU H H 48 8.081 8.118 -0.037 1
1 488 . 16 1 1 A 48 48 GLU CA C 48 60.605 59.498 1.107 1
1 489 . 16 1 1 A 48 48 GLU HA H 48 3.851 3.972 -0.121 1
1 490 . 16 1 1 A 48 48 GLU CB C 48 30.467 29.373 1.094 1
1 496 . 16 1 1 A 48 48 GLU C C 48 180.175 179.230 0.945 1
1 497 . 16 1 1 A 49 49 VAL N N 49 122.024 119.744 2.280 1
1 498 . 16 1 1 A 49 49 VAL H H 49 8.325 7.538 0.787 1
1 499 . 16 1 1 A 49 49 VAL CA C 49 67.146 66.668 0.478 1
1 500 . 16 1 1 A 49 49 VAL HA H 49 3.530 3.566 -0.036 1
1 501 . 16 1 1 A 49 49 VAL CB C 49 31.543 31.572 -0.029 1
1 511 . 16 1 1 A 49 49 VAL C C 49 177.168 178.362 -1.194 1
1 512 . 16 1 1 A 50 50 ILE N N 50 117.821 120.198 -2.377 1
1 513 . 16 1 1 A 50 50 ILE H H 50 7.947 7.887 0.060 1
1 514 . 16 1 1 A 50 50 ILE CA C 50 66.217 66.022 0.195 1
1 515 . 16 1 1 A 50 50 ILE HA H 50 3.757 3.716 0.041 1
1 516 . 16 1 1 A 50 50 ILE CB C 50 37.952 38.026 -0.074 1
1 529 . 16 1 1 A 50 50 ILE C C 50 177.890 177.935 -0.045 1
1 530 . 16 1 1 A 51 51 LYS N N 51 121.589 120.914 0.675 1
1 531 . 16 1 1 A 51 51 LYS H H 51 8.790 8.288 0.502 1
1 532 . 16 1 1 A 51 51 LYS CA C 51 58.277 59.758 -1.481 1
1 533 . 16 1 1 A 51 51 LYS HA H 51 3.816 4.044 -0.228 1
1 534 . 16 1 1 A 51 51 LYS CB C 51 32.898 32.551 0.347 1
1 546 . 16 1 1 A 51 51 LYS C C 51 176.668 178.764 -2.096 1
1 547 . 16 1 1 A 52 52 PHE N N 52 117.622 120.293 -2.671 1
1 548 . 16 1 1 A 52 52 PHE H H 52 7.768 8.372 -0.604 1
1 549 . 16 1 1 A 52 52 PHE CA C 52 60.585 61.627 -1.042 1
1 550 . 16 1 1 A 52 52 PHE HA H 52 4.090 4.061 0.029 1
1 551 . 16 1 1 A 52 52 PHE CB C 52 38.775 39.094 -0.319 1
1 564 . 16 1 1 A 52 52 PHE C C 52 176.831 176.862 -0.031 1
1 565 . 16 1 1 A 53 53 TYR N N 53 115.876 116.674 -0.798 1
1 566 . 16 1 1 A 53 53 TYR H H 53 7.346 8.229 -0.883 1
1 567 . 16 1 1 A 53 53 TYR CA C 53 61.264 60.508 0.756 1
1 568 . 16 1 1 A 53 53 TYR HA H 53 3.697 4.272 -0.575 1
1 569 . 16 1 1 A 53 53 TYR CB C 53 41.522 38.709 2.813 1
1 580 . 16 1 1 A 53 53 TYR C C 53 175.972 175.112 0.860 1
1 581 . 16 1 1 A 54 54 PHE N N 54 116.478 116.191 0.287 1
1 582 . 16 1 1 A 54 54 PHE H H 54 8.877 8.490 0.387 1
1 583 . 16 1 1 A 54 54 PHE CA C 54 55.553 55.127 0.426 1
1 584 . 16 1 1 A 54 54 PHE HA H 54 5.173 5.078 0.095 1
1 585 . 16 1 1 A 54 54 PHE CB C 54 40.841 40.962 -0.121 1
1 598 . 16 1 1 A 54 54 PHE C C 54 173.424 174.735 -1.311 1
1 599 . 16 1 1 A 55 55 PRO CA C 55 65.147 65.139 0.008 1
1 600 . 16 1 1 A 55 55 PRO HA H 55 4.591 4.369 0.222 1
1 601 . 16 1 1 A 55 55 PRO CB C 55 32.014 32.073 -0.059 1
1 610 . 16 1 1 A 55 55 PRO C C 55 179.255 178.709 0.546 1
1 611 . 16 1 1 A 56 56 LYS N N 56 113.672 116.560 -2.888 1
1 612 . 16 1 1 A 56 56 LYS H H 56 8.639 8.904 -0.265 1
1 613 . 16 1 1 A 56 56 LYS CA C 56 56.918 59.079 -2.161 1
1 614 . 16 1 1 A 56 56 LYS HA H 56 4.384 4.131 0.253 1
1 615 . 16 1 1 A 56 56 LYS CB C 56 31.868 32.325 -0.457 1
1 627 . 16 1 1 A 56 56 LYS C C 56 178.220 179.009 -0.789 1
1 628 . 16 1 1 A 57 57 MET N N 57 116.692 119.066 -2.374 1
1 629 . 16 1 1 A 57 57 MET H H 57 8.099 8.332 -0.233 1
1 630 . 16 1 1 A 57 57 MET CA C 57 57.537 58.767 -1.230 1
1 631 . 16 1 1 A 57 57 MET HA H 57 4.260 4.141 0.119 1
1 632 . 16 1 1 A 57 57 MET CB C 57 35.400 32.620 2.780 1
1 642 . 16 1 1 A 57 57 MET C C 57 174.856 178.658 -3.802 1
1 643 . 16 1 1 A 58 58 VAL N N 58 114.727 119.978 -5.251 1
1 644 . 16 1 1 A 58 58 VAL H H 58 6.872 7.712 -0.840 1
1 645 . 16 1 1 A 58 58 VAL CA C 58 60.834 66.753 -5.919 1
1 646 . 16 1 1 A 58 58 VAL HA H 58 4.421 3.640 0.781 1
1 647 . 16 1 1 A 58 58 VAL CB C 58 36.223 31.610 4.613 1
1 657 . 16 1 1 A 58 58 VAL C C 58 173.747 176.221 -2.474 1
1 658 . 16 1 1 A 59 59 GLU N N 59 127.314 118.023 9.291 1
1 659 . 16 1 1 A 59 59 GLU H H 59 8.783 7.991 0.792 1
1 660 . 16 1 1 A 59 59 GLU CA C 59 54.465 57.403 -2.938 1
1 661 . 16 1 1 A 59 59 GLU HA H 59 4.671 4.097 0.574 1
1 662 . 16 1 1 A 59 59 GLU CB C 59 30.020 27.137 2.883 1
1 668 . 16 1 1 A 59 59 GLU C C 59 176.450 176.826 -0.376 1
1 669 . 16 1 1 A 60 60 MET N N 60 122.273 117.031 5.242 1
1 670 . 16 1 1 A 60 60 MET H H 60 9.004 8.297 0.707 1
1 671 . 16 1 1 A 60 60 MET CA C 60 55.751 58.200 -2.449 1
1 672 . 16 1 1 A 60 60 MET HA H 60 4.613 4.503 0.110 1
1 673 . 16 1 1 A 60 60 MET CB C 60 29.356 32.498 -3.142 1
1 683 . 16 1 1 A 60 60 MET C C 60 178.387 178.051 0.336 1
1 684 . 16 1 1 A 61 61 HIS N N 61 115.823 121.168 -5.345 1
1 685 . 16 1 1 A 61 61 HIS H H 61 8.198 8.394 -0.196 1
1 686 . 16 1 1 A 61 61 HIS CA C 61 57.963 60.244 -2.281 1
1 687 . 16 1 1 A 61 61 HIS HA H 61 4.341 4.119 0.222 1
1 688 . 16 1 1 A 61 61 HIS CB C 61 29.235 29.838 -0.603 1
1 695 . 16 1 1 A 61 61 HIS C C 61 175.800 176.488 -0.688 1
1 696 . 16 1 1 A 62 62 ASN N N 62 115.093 116.269 -1.176 1
1 697 . 16 1 1 A 62 62 ASN H H 62 6.895 8.551 -1.656 1
1 698 . 16 1 1 A 62 62 ASN CA C 62 54.503 56.563 -2.060 1
1 699 . 16 1 1 A 62 62 ASN HA H 62 3.872 4.257 -0.385 1
1 700 . 16 1 1 A 62 62 ASN CB C 62 38.749 37.700 1.049 1
1 706 . 16 1 1 A 62 62 ASN C C 62 173.014 176.324 -3.310 1
1 707 . 16 1 1 A 63 63 TYR N N 63 118.560 118.273 0.287 1
1 708 . 16 1 1 A 63 63 TYR H H 63 7.255 7.805 -0.550 1
1 709 . 16 1 1 A 63 63 TYR CA C 63 56.311 58.718 -2.407 1
1 710 . 16 1 1 A 63 63 TYR HA H 63 4.481 4.569 -0.088 1
1 711 . 16 1 1 A 63 63 TYR CB C 63 39.138 39.129 0.009 1
1 722 . 16 1 1 A 63 63 TYR C C 63 173.223 175.943 -2.720 1
1 723 . 16 1 1 A 64 64 VAL N N 64 122.318 120.515 1.803 1
1 724 . 16 1 1 A 64 64 VAL H H 64 7.750 8.619 -0.869 1
1 725 . 16 1 1 A 64 64 VAL CA C 64 58.601 58.954 -0.353 1
1 726 . 16 1 1 A 64 64 VAL HA H 64 4.469 4.664 -0.195 1
1 727 . 16 1 1 A 64 64 VAL CB C 64 33.747 35.416 -1.669 1
1 737 . 16 1 1 A 64 64 VAL C C 64 173.983 173.898 0.085 1
1 738 . 16 1 1 A 65 65 PRO CA C 65 63.212 62.584 0.628 1
1 739 . 16 1 1 A 65 65 PRO HA H 65 4.348 4.796 -0.448 1
1 740 . 16 1 1 A 65 65 PRO CB C 65 31.279 31.819 -0.540 1
1 749 . 16 1 1 A 65 65 PRO C C 65 176.821 176.133 0.688 1
1 750 . 16 1 1 A 66 66 ALA N N 66 125.896 125.437 0.459 1
1 751 . 16 1 1 A 66 66 ALA H H 66 8.563 8.613 -0.050 1
1 752 . 16 1 1 A 66 66 ALA CA C 66 52.003 50.443 1.560 1
1 753 . 16 1 1 A 66 66 ALA HA H 66 4.651 4.938 -0.287 1
1 754 . 16 1 1 A 66 66 ALA CB C 66 24.137 23.374 0.763 1
1 758 . 16 1 1 A 66 66 ALA C C 66 176.244 176.477 -0.233 1
1 759 . 16 1 1 A 67 67 ASN CA C 67 52.862 52.292 0.570 1
1 760 . 16 1 1 A 67 67 ASN HA H 67 4.988 5.069 -0.081 1
1 761 . 16 1 1 A 67 67 ASN CB C 67 40.168 38.663 1.505 1
1 767 . 16 1 1 A 67 67 ASN C C 67 174.896 174.829 0.067 1
1 768 . 16 1 1 A 68 68 SER N N 68 114.553 113.692 0.861 1
1 769 . 16 1 1 A 68 68 SER H H 68 7.777 7.635 0.142 1
1 770 . 16 1 1 A 68 68 SER CA C 68 56.741 57.319 -0.578 1
1 771 . 16 1 1 A 68 68 SER HA H 68 4.737 4.868 -0.131 1
1 772 . 16 1 1 A 68 68 SER CB C 68 65.267 65.886 -0.619 1
1 775 . 16 1 1 A 68 68 SER C C 68 174.542 174.573 -0.031 1
1 776 . 16 1 1 A 69 69 LEU CA C 69 59.000 58.817 0.183 1
1 777 . 16 1 1 A 69 69 LEU HA H 69 3.961 4.104 -0.143 1
1 778 . 16 1 1 A 69 69 LEU CB C 69 41.679 41.719 -0.040 1
1 791 . 16 1 1 A 69 69 LEU C C 69 178.629 178.170 0.459 1
1 792 . 16 1 1 A 70 70 GLN N N 70 115.924 117.220 -1.296 1
1 793 . 16 1 1 A 70 70 GLN H H 70 8.785 8.211 0.574 1
1 794 . 16 1 1 A 70 70 GLN CA C 70 59.728 58.587 1.141 1
1 795 . 16 1 1 A 70 70 GLN HA H 70 3.977 4.123 -0.146 1
1 796 . 16 1 1 A 70 70 GLN CB C 70 27.912 28.377 -0.465 1
1 805 . 16 1 1 A 70 70 GLN C C 70 178.954 177.898 1.056 1
1 806 . 16 1 1 A 71 71 GLN N N 71 118.694 119.425 -0.731 1
1 807 . 16 1 1 A 71 71 GLN H H 71 7.780 8.150 -0.370 1
1 808 . 16 1 1 A 71 71 GLN CA C 71 58.233 59.139 -0.906 1
1 809 . 16 1 1 A 71 71 GLN HA H 71 4.219 3.990 0.229 1
1 810 . 16 1 1 A 71 71 GLN CB C 71 29.089 28.462 0.627 1
1 819 . 16 1 1 A 71 71 GLN C C 71 178.724 178.531 0.193 1
1 820 . 16 1 1 A 72 72 LYS N N 72 119.661 119.718 -0.057 1
1 821 . 16 1 1 A 72 72 LYS H H 72 8.094 7.755 0.339 1
1 822 . 16 1 1 A 72 72 LYS CA C 72 61.528 59.817 1.711 1
1 823 . 16 1 1 A 72 72 LYS HA H 72 4.206 4.080 0.126 1
1 824 . 16 1 1 A 72 72 LYS CB C 72 33.806 32.437 1.369 1
1 836 . 16 1 1 A 72 72 LYS C C 72 179.041 179.116 -0.075 1
1 837 . 16 1 1 A 73 73 LEU N N 73 117.098 120.839 -3.741 1
1 838 . 16 1 1 A 73 73 LEU H H 73 8.602 7.786 0.816 1
1 839 . 16 1 1 A 73 73 LEU CA C 73 58.118 57.875 0.243 1
1 840 . 16 1 1 A 73 73 LEU HA H 73 4.287 4.083 0.204 1
1 841 . 16 1 1 A 73 73 LEU CB C 73 40.831 41.637 -0.806 1
1 854 . 16 1 1 A 73 73 LEU C C 73 180.838 179.091 1.747 1
1 855 . 16 1 1 A 74 74 SER N N 74 118.060 113.798 4.262 1
1 856 . 16 1 1 A 74 74 SER H H 74 8.334 8.049 0.285 1
1 857 . 16 1 1 A 74 74 SER CA C 74 61.971 61.721 0.250 1
1 858 . 16 1 1 A 74 74 SER HA H 74 4.431 4.049 0.382 1
1 859 . 16 1 1 A 74 74 SER CB C 74 62.560 63.018 -0.458 1
1 862 . 16 1 1 A 74 74 SER C C 74 177.493 177.252 0.241 1
1 863 . 16 1 1 A 75 75 ASN N N 75 121.688 119.005 2.683 1
1 864 . 16 1 1 A 75 75 ASN H H 75 8.266 8.051 0.215 1
1 865 . 16 1 1 A 75 75 ASN CA C 75 56.090 56.608 -0.518 1
1 866 . 16 1 1 A 75 75 ASN HA H 75 4.739 4.771 -0.032 1
1 867 . 16 1 1 A 75 75 ASN CB C 75 38.184 38.620 -0.436 1
1 873 . 16 1 1 A 75 75 ASN C C 75 177.792 178.272 -0.480 1
1 874 . 16 1 1 A 76 76 TRP N N 76 118.943 120.158 -1.215 1
1 875 . 16 1 1 A 76 76 TRP H H 76 8.510 8.566 -0.056 1
1 876 . 16 1 1 A 76 76 TRP CA C 76 62.294 59.419 2.875 1
1 877 . 16 1 1 A 76 76 TRP HA H 76 4.173 4.293 -0.120 1
1 878 . 16 1 1 A 76 76 TRP CB C 76 29.223 29.009 0.214 1
1 893 . 16 1 1 A 76 76 TRP C C 76 178.579 179.082 -0.503 1
1 894 . 16 1 1 A 77 77 GLY N N 77 107.789 107.864 -0.075 1
1 895 . 16 1 1 A 77 77 GLY H H 77 8.954 9.099 -0.145 1
1 896 . 16 1 1 A 77 77 GLY CA C 77 47.600 47.454 0.146 1
1 897 . 16 1 1 A 77 77 GLY HA2 H 77 4.122 3.656 0.466 1
1 898 . 16 1 1 A 77 77 GLY HA3 H 77 3.977 3.751 0.226 1
1 899 . 16 1 1 A 77 77 GLY C C 77 176.076 176.621 -0.545 1
1 900 . 16 1 1 A 78 78 HIS N N 78 122.925 120.292 2.633 1
1 901 . 16 1 1 A 78 78 HIS H H 78 8.127 7.666 0.461 1
1 902 . 16 1 1 A 78 78 HIS CA C 78 61.550 58.391 3.159 1
1 903 . 16 1 1 A 78 78 HIS HA H 78 4.206 4.765 -0.559 1
1 904 . 16 1 1 A 78 78 HIS CB C 78 30.794 29.522 1.272 1
1 911 . 16 1 1 A 78 78 HIS C C 78 177.572 178.049 -0.477 1
1 912 . 16 1 1 A 79 79 LEU N N 79 120.009 120.892 -0.883 1
1 913 . 16 1 1 A 79 79 LEU H H 79 8.726 8.488 0.238 1
1 914 . 16 1 1 A 79 79 LEU CA C 79 58.252 57.937 0.315 1
1 915 . 16 1 1 A 79 79 LEU HA H 79 4.227 4.307 -0.080 1
1 916 . 16 1 1 A 79 79 LEU CB C 79 43.075 41.369 1.706 1
1 929 . 16 1 1 A 79 79 LEU C C 79 181.067 178.847 2.220 1
1 930 . 16 1 1 A 80 80 ASN N N 80 119.257 117.230 2.027 1
1 931 . 16 1 1 A 80 80 ASN H H 80 9.270 8.088 1.182 1
1 932 . 16 1 1 A 80 80 ASN CA C 80 57.279 55.998 1.281 1
1 933 . 16 1 1 A 80 80 ASN HA H 80 4.595 4.584 0.011 1
1 934 . 16 1 1 A 80 80 ASN CB C 80 40.403 38.650 1.753 1
1 940 . 16 1 1 A 80 80 ASN C C 80 177.177 176.530 0.647 1
1 941 . 16 1 1 A 81 81 ARG N N 81 115.731 117.115 -1.384 1
1 942 . 16 1 1 A 81 81 ARG H H 81 8.085 8.205 -0.120 1
1 943 . 16 1 1 A 81 81 ARG CA C 81 59.249 55.853 3.396 1
1 944 . 16 1 1 A 81 81 ARG HA H 81 4.167 4.621 -0.454 1
1 945 . 16 1 1 A 81 81 ARG CB C 81 31.579 31.177 0.402 1
1 954 . 16 1 1 A 81 81 ARG C C 81 177.890 176.796 1.094 1
1 955 . 16 1 1 A 82 82 LYS N N 82 113.840 117.695 -3.855 1
1 956 . 16 1 1 A 82 82 LYS H H 82 8.691 7.650 1.041 1
1 957 . 16 1 1 A 82 82 LYS CA C 82 56.216 56.950 -0.734 1
1 958 . 16 1 1 A 82 82 LYS HA H 82 4.441 4.424 0.017 1
1 959 . 16 1 1 A 82 82 LYS CB C 82 32.964 34.161 -1.197 1
1 971 . 16 1 1 A 82 82 LYS C C 82 177.543 177.375 0.168 1
1 972 . 16 1 1 A 83 83 VAL N N 83 117.873 118.219 -0.346 1
1 973 . 16 1 1 A 83 83 VAL H H 83 7.786 8.350 -0.564 1
1 974 . 16 1 1 A 83 83 VAL CA C 83 64.939 64.338 0.601 1
1 975 . 16 1 1 A 83 83 VAL HA H 83 4.235 4.123 0.112 1
1 976 . 16 1 1 A 83 83 VAL CB C 83 34.046 32.005 2.041 1
1 986 . 16 1 1 A 83 83 VAL C C 83 176.945 177.832 -0.887 1
1 987 . 16 1 1 A 84 84 LEU N N 84 118.163 119.968 -1.805 1
1 988 . 16 1 1 A 84 84 LEU H H 84 9.200 7.984 1.216 1
1 989 . 16 1 1 A 84 84 LEU CA C 84 58.824 58.302 0.522 1
1 990 . 16 1 1 A 84 84 LEU HA H 84 3.898 3.964 -0.066 1
1 991 . 16 1 1 A 84 84 LEU CB C 84 38.418 41.785 -3.367 1
1 1004 . 16 1 1 A 84 84 LEU C C 84 179.874 178.969 0.905 1
1 1005 . 16 1 1 A 85 85 LYS N N 85 117.114 119.218 -2.104 1
1 1006 . 16 1 1 A 85 85 LYS H H 85 7.303 7.780 -0.477 1
1 1007 . 16 1 1 A 85 85 LYS CA C 85 59.436 59.618 -0.182 1
1 1008 . 16 1 1 A 85 85 LYS HA H 85 4.191 3.963 0.228 1
1 1009 . 16 1 1 A 85 85 LYS CB C 85 33.096 32.492 0.604 1
1 1021 . 16 1 1 A 85 85 LYS C C 85 180.286 178.892 1.394 1
1 1022 . 16 1 1 A 86 86 ARG N N 86 117.181 120.307 -3.126 1
1 1023 . 16 1 1 A 86 86 ARG H H 86 7.216 7.945 -0.729 1
1 1024 . 16 1 1 A 86 86 ARG CA C 86 57.924 58.992 -1.068 1
1 1025 . 16 1 1 A 86 86 ARG HA H 86 4.191 4.154 0.037 1
1 1026 . 16 1 1 A 86 86 ARG CB C 86 29.848 30.046 -0.198 1
1 1035 . 16 1 1 A 86 86 ARG C C 86 177.047 177.913 -0.866 1
1 1036 . 16 1 1 A 87 87 LEU N N 87 118.282 117.937 0.345 1
1 1037 . 16 1 1 A 87 87 LEU H H 87 7.584 8.034 -0.450 1
1 1038 . 16 1 1 A 87 87 LEU CA C 87 53.603 54.539 -0.936 1
1 1039 . 16 1 1 A 87 87 LEU HA H 87 4.339 4.397 -0.058 1
1 1040 . 16 1 1 A 87 87 LEU CB C 87 42.059 41.900 0.159 1
1 1053 . 16 1 1 A 87 87 LEU C C 87 175.182 175.843 -0.661 1
1 1054 . 16 1 1 A 88 88 ASN N N 88 115.016 115.122 -0.106 1
1 1055 . 16 1 1 A 88 88 ASN H H 88 7.932 7.921 0.011 1
1 1056 . 16 1 1 A 88 88 ASN CA C 88 54.081 54.566 -0.485 1
1 1057 . 16 1 1 A 88 88 ASN HA H 88 4.384 4.360 0.024 1
1 1058 . 16 1 1 A 88 88 ASN CB C 88 36.809 37.246 -0.437 1
1 1064 . 16 1 1 A 88 88 ASN C C 88 173.426 173.514 -0.088 1
1 1065 . 16 1 1 A 89 89 PHE N N 89 119.795 119.357 0.438 1
1 1066 . 16 1 1 A 89 89 PHE H H 89 7.739 8.156 -0.417 1
1 1067 . 16 1 1 A 89 89 PHE CA C 89 56.231 57.409 -1.178 1
1 1068 . 16 1 1 A 89 89 PHE HA H 89 4.887 4.944 -0.057 1
1 1069 . 16 1 1 A 89 89 PHE CB C 89 43.188 41.981 1.207 1
1 1082 . 16 1 1 A 89 89 PHE C C 89 172.386 173.968 -1.582 1
1 1083 . 16 1 1 A 90 90 SER N N 90 117.020 123.036 -6.016 1
1 1084 . 16 1 1 A 90 90 SER H H 90 7.301 8.224 -0.923 1
1 1085 . 16 1 1 A 90 90 SER CA C 90 56.762 57.498 -0.736 1
1 1086 . 16 1 1 A 90 90 SER HA H 90 4.667 5.219 -0.552 1
1 1087 . 16 1 1 A 90 90 SER CB C 90 64.885 66.122 -1.237 1
1 1090 . 16 1 1 A 90 90 SER C C 90 172.726 173.208 -0.482 1
1 1091 . 16 1 1 A 91 91 VAL N N 91 126.604 123.659 2.945 1
1 1092 . 16 1 1 A 91 91 VAL H H 91 8.959 9.065 -0.106 1
1 1093 . 16 1 1 A 91 91 VAL CA C 91 59.173 58.969 0.204 1
1 1094 . 16 1 1 A 91 91 VAL HA H 91 4.336 4.592 -0.256 1
1 1095 . 16 1 1 A 91 91 VAL CB C 91 33.703 35.792 -2.089 1
1 1105 . 16 1 1 A 91 91 VAL C C 91 173.886 173.690 0.196 1
1 1106 . 16 1 1 A 92 92 PRO CA C 92 62.618 62.771 -0.153 1
1 1107 . 16 1 1 A 92 92 PRO HA H 92 4.481 4.659 -0.178 1
1 1108 . 16 1 1 A 92 92 PRO CB C 92 33.302 32.837 0.465 1
1 1117 . 16 1 1 A 92 92 PRO C C 92 177.410 177.583 -0.173 1
1 1118 . 16 1 1 A 93 93 ASP N N 93 123.319 124.165 -0.846 1
1 1119 . 16 1 1 A 93 93 ASP H H 93 8.854 9.001 -0.147 1
1 1120 . 16 1 1 A 93 93 ASP CA C 93 58.347 57.302 1.045 1
1 1121 . 16 1 1 A 93 93 ASP HA H 93 4.298 4.326 -0.028 1
1 1122 . 16 1 1 A 93 93 ASP CB C 93 40.916 41.175 -0.259 1
1 1125 . 16 1 1 A 93 93 ASP C C 93 178.221 177.379 0.842 1
1 1126 . 16 1 1 A 94 94 ASP N N 94 116.740 119.597 -2.857 1
1 1127 . 16 1 1 A 94 94 ASP H H 94 8.955 8.060 0.895 1
1 1128 . 16 1 1 A 94 94 ASP CA C 94 56.851 57.345 -0.494 1
1 1129 . 16 1 1 A 94 94 ASP HA H 94 4.222 4.236 -0.014 1
1 1130 . 16 1 1 A 94 94 ASP CB C 94 39.733 40.399 -0.666 1
1 1133 . 16 1 1 A 94 94 ASP C C 94 178.344 178.745 -0.401 1
1 1134 . 16 1 1 A 95 95 VAL N N 95 121.559 119.649 1.910 1
1 1135 . 16 1 1 A 95 95 VAL H H 95 6.935 8.149 -1.214 1
1 1136 . 16 1 1 A 95 95 VAL CA C 95 66.007 66.307 -0.300 1
1 1137 . 16 1 1 A 95 95 VAL HA H 95 3.378 3.553 -0.175 1
1 1138 . 16 1 1 A 95 95 VAL CB C 95 31.712 31.176 0.536 1
1 1148 . 16 1 1 A 95 95 VAL C C 95 177.153 177.732 -0.579 1
1 1149 . 16 1 1 A 96 96 MET N N 96 118.492 117.482 1.010 1
1 1150 . 16 1 1 A 96 96 MET H H 96 7.993 7.864 0.129 1
1 1151 . 16 1 1 A 96 96 MET CA C 96 60.318 58.613 1.705 1
1 1152 . 16 1 1 A 96 96 MET HA H 96 3.037 3.880 -0.843 1
1 1153 . 16 1 1 A 96 96 MET CB C 96 33.348 32.875 0.473 1
1 1163 . 16 1 1 A 96 96 MET C C 96 176.993 178.751 -1.758 1
1 1164 . 16 1 1 A 97 97 ARG N N 97 116.593 118.812 -2.219 1
1 1165 . 16 1 1 A 97 97 ARG H H 97 7.668 8.292 -0.624 1
1 1166 . 16 1 1 A 97 97 ARG CA C 97 60.372 59.764 0.608 1
1 1167 . 16 1 1 A 97 97 ARG HA H 97 3.772 3.938 -0.166 1
1 1168 . 16 1 1 A 97 97 ARG CB C 97 29.627 30.044 -0.417 1
1 1177 . 16 1 1 A 97 97 ARG C C 97 177.718 178.886 -1.168 1
1 1178 . 16 1 1 A 98 98 LYS N N 98 118.000 118.812 -0.812 1
1 1179 . 16 1 1 A 98 98 LYS H H 98 7.279 7.283 -0.004 1
1 1180 . 16 1 1 A 98 98 LYS CA C 98 59.942 59.208 0.734 1
1 1181 . 16 1 1 A 98 98 LYS HA H 98 4.035 4.032 0.003 1
1 1182 . 16 1 1 A 98 98 LYS CB C 98 33.307 32.485 0.822 1
1 1194 . 16 1 1 A 98 98 LYS C C 98 178.861 178.735 0.126 1
1 1195 . 16 1 1 A 99 99 ILE N N 99 119.736 120.860 -1.124 1
1 1196 . 16 1 1 A 99 99 ILE H H 99 8.298 7.868 0.430 1
1 1197 . 16 1 1 A 99 99 ILE CA C 99 65.451 65.430 0.021 1
1 1198 . 16 1 1 A 99 99 ILE HA H 99 3.473 3.458 0.015 1
1 1199 . 16 1 1 A 99 99 ILE CB C 99 38.088 37.263 0.825 1
1 1212 . 16 1 1 A 99 99 ILE C C 99 181.472 177.787 3.685 1
1 1213 . 16 1 1 A 100 100 ALA N N 100 124.832 121.257 3.575 1
1 1214 . 16 1 1 A 100 100 ALA H H 100 8.473 7.979 0.494 1
1 1215 . 16 1 1 A 100 100 ALA CA C 100 54.623 54.636 -0.013 1
1 1216 . 16 1 1 A 100 100 ALA HA H 100 4.481 3.973 0.508 1
1 1217 . 16 1 1 A 100 100 ALA CB C 100 19.106 18.286 0.820 1
1 1221 . 16 1 1 A 100 100 ALA C C 100 177.755 179.166 -1.411 1
1 1222 . 16 1 1 A 101 101 GLN N N 101 113.891 114.440 -0.549 1
1 1223 . 16 1 1 A 101 101 GLN H H 101 7.665 7.444 0.221 1
1 1224 . 16 1 1 A 101 101 GLN CA C 101 55.681 55.448 0.233 1
1 1225 . 16 1 1 A 101 101 GLN HA H 101 4.378 4.396 -0.018 1
1 1226 . 16 1 1 A 101 101 GLN CB C 101 28.879 28.638 0.241 1
1 1235 . 16 1 1 A 101 101 GLN C C 101 175.604 174.748 0.856 1
1 1236 . 16 1 1 A 102 102 CYS N N 102 114.274 116.277 -2.003 1
1 1237 . 16 1 1 A 102 102 CYS H H 102 8.300 8.225 0.075 1
1 1238 . 16 1 1 A 102 102 CYS CA C 102 58.700 60.439 -1.739 1
1 1239 . 16 1 1 A 102 102 CYS HA H 102 4.030 4.057 -0.027 1
1 1240 . 16 1 1 A 102 102 CYS CB C 102 24.987 25.796 -0.809 1
1 1243 . 16 1 1 A 102 102 CYS C C 102 174.186 173.869 0.317 1
1 1244 . 16 1 1 A 103 103 ALA N N 103 123.512 121.881 1.631 1
1 1245 . 16 1 1 A 103 103 ALA H H 103 8.175 7.337 0.838 1
1 1246 . 16 1 1 A 103 103 ALA CA C 103 50.841 50.150 0.691 1
1 1247 . 16 1 1 A 103 103 ALA HA H 103 4.458 4.419 0.039 1
1 1248 . 16 1 1 A 103 103 ALA CB C 103 18.353 19.347 -0.994 1
1 1252 . 16 1 1 A 103 103 ALA C C 103 175.904 176.358 -0.454 1
1 1253 . 16 1 1 A 104 104 PRO CA C 104 64.290 63.721 0.569 1
1 1254 . 16 1 1 A 104 104 PRO HA H 104 4.315 4.310 0.005 1
1 1255 . 16 1 1 A 104 104 PRO CB C 104 32.028 31.244 0.784 1
1 1264 . 16 1 1 A 104 104 PRO C C 104 178.173 177.482 0.691 1
1 1265 . 16 1 1 A 105 105 GLY N N 105 113.466 112.489 0.977 1
1 1266 . 16 1 1 A 105 105 GLY H H 105 9.036 8.508 0.528 1
1 1267 . 16 1 1 A 105 105 GLY CA C 105 45.935 45.609 0.326 1
1 1268 . 16 1 1 A 105 105 GLY HA2 H 105 4.044 3.926 0.118 1
1 1269 . 16 1 1 A 105 105 GLY HA3 H 105 3.832 3.933 -0.101 1
1 1270 . 16 1 1 A 105 105 GLY C C 105 174.928 175.953 -1.025 1
1 1271 . 16 1 1 A 106 106 VAL N N 106 117.991 120.351 -2.360 1
1 1272 . 16 1 1 A 106 106 VAL H H 106 6.964 8.164 -1.200 1
1 1273 . 16 1 1 A 106 106 VAL CA C 106 66.071 65.646 0.425 1
1 1274 . 16 1 1 A 106 106 VAL HA H 106 3.842 3.587 0.255 1
1 1275 . 16 1 1 A 106 106 VAL CB C 106 31.337 31.665 -0.328 1
1 1285 . 16 1 1 A 106 106 VAL C C 106 178.061 177.552 0.509 1
1 1286 . 16 1 1 A 107 107 VAL N N 107 121.474 120.080 1.394 1
1 1287 . 16 1 1 A 107 107 VAL H H 107 9.039 8.327 0.712 1
1 1288 . 16 1 1 A 107 107 VAL CA C 107 65.971 65.167 0.804 1
1 1289 . 16 1 1 A 107 107 VAL HA H 107 3.743 3.584 0.159 1
1 1290 . 16 1 1 A 107 107 VAL CB C 107 30.959 31.182 -0.223 1
1 1300 . 16 1 1 A 107 107 VAL C C 107 177.629 177.935 -0.306 1
1 1301 . 16 1 1 A 108 108 GLU N N 108 126.242 121.664 4.578 1
1 1302 . 16 1 1 A 108 108 GLU H H 108 11.107 8.372 2.735 1
1 1303 . 16 1 1 A 108 108 GLU CA C 108 62.429 59.394 3.035 1
1 1304 . 16 1 1 A 108 108 GLU HA H 108 3.584 4.020 -0.436 1
1 1305 . 16 1 1 A 108 108 GLU CB C 108 28.863 29.169 -0.306 1
1 1311 . 16 1 1 A 108 108 GLU C C 108 176.878 179.064 -2.186 1
1 1312 . 16 1 1 A 109 109 LEU N N 109 114.111 120.062 -5.951 1
1 1313 . 16 1 1 A 109 109 LEU H H 109 7.474 8.414 -0.940 1
1 1314 . 16 1 1 A 109 109 LEU CA C 109 56.293 57.799 -1.506 1
1 1315 . 16 1 1 A 109 109 LEU HA H 109 4.024 4.031 -0.007 1
1 1316 . 16 1 1 A 109 109 LEU CB C 109 40.846 41.552 -0.706 1
1 1329 . 16 1 1 A 109 109 LEU C C 109 178.647 178.642 0.005 1
1 1330 . 16 1 1 A 110 110 VAL N N 110 116.984 118.178 -1.194 1
1 1331 . 16 1 1 A 110 110 VAL H H 110 7.557 7.599 -0.042 1
1 1332 . 16 1 1 A 110 110 VAL CA C 110 64.274 64.824 -0.550 1
1 1333 . 16 1 1 A 110 110 VAL HA H 110 4.206 3.963 0.243 1
1 1334 . 16 1 1 A 110 110 VAL CB C 110 33.070 32.268 0.802 1
1 1344 . 16 1 1 A 110 110 VAL C C 110 176.435 178.058 -1.623 1
1 1345 . 16 1 1 A 111 111 LEU N N 111 118.461 120.007 -1.546 1
1 1346 . 16 1 1 A 111 111 LEU H H 111 8.453 8.068 0.385 1
1 1347 . 16 1 1 A 111 111 LEU CA C 111 58.047 57.603 0.444 1
1 1348 . 16 1 1 A 111 111 LEU HA H 111 4.003 4.117 -0.114 1
1 1349 . 16 1 1 A 111 111 LEU CB C 111 43.552 41.170 2.382 1
1 1362 . 16 1 1 A 111 111 LEU C C 111 177.274 179.254 -1.980 1
1 1363 . 16 1 1 A 112 112 ILE N N 112 115.835 120.567 -4.732 1
1 1364 . 16 1 1 A 112 112 ILE H H 112 7.850 8.140 -0.290 1
1 1365 . 16 1 1 A 112 112 ILE CA C 112 67.843 66.366 1.477 1
1 1366 . 16 1 1 A 112 112 ILE HA H 112 3.636 3.624 0.012 1
1 1367 . 16 1 1 A 112 112 ILE CB C 112 36.504 35.769 0.735 1
1 1380 . 16 1 1 A 112 112 ILE C C 112 176.487 175.195 1.292 1
1 1381 . 16 1 1 A 113 113 PRO CA C 113 64.872 65.519 -0.647 1
1 1382 . 16 1 1 A 113 113 PRO HA H 113 4.420 4.294 0.126 1
1 1383 . 16 1 1 A 113 113 PRO CB C 113 30.348 30.784 -0.436 1
1 1392 . 16 1 1 A 113 113 PRO C C 113 179.001 178.683 0.318 1
1 1393 . 16 1 1 A 114 114 LEU N N 114 120.690 118.116 2.574 1
1 1394 . 16 1 1 A 114 114 LEU H H 114 7.672 7.478 0.194 1
1 1395 . 16 1 1 A 114 114 LEU CA C 114 58.337 57.854 0.483 1
1 1396 . 16 1 1 A 114 114 LEU HA H 114 3.490 3.838 -0.348 1
1 1397 . 16 1 1 A 114 114 LEU CB C 114 41.840 41.728 0.112 1
1 1410 . 16 1 1 A 114 114 LEU C C 114 177.486 178.196 -0.710 1
1 1411 . 16 1 1 A 115 115 ARG N N 115 119.039 118.790 0.249 1
1 1412 . 16 1 1 A 115 115 ARG H H 115 8.159 7.473 0.686 1
1 1413 . 16 1 1 A 115 115 ARG CA C 115 60.199 59.512 0.687 1
1 1414 . 16 1 1 A 115 115 ARG HA H 115 3.215 3.505 -0.290 1
1 1415 . 16 1 1 A 115 115 ARG CB C 115 28.049 29.157 -1.108 1
1 1426 . 16 1 1 A 115 115 ARG C C 115 177.460 178.164 -0.704 1
1 1427 . 16 1 1 A 116 116 GLN N N 116 115.221 118.141 -2.920 1
1 1428 . 16 1 1 A 116 116 GLN H H 116 6.825 7.667 -0.842 1
1 1429 . 16 1 1 A 116 116 GLN CA C 116 58.838 59.083 -0.245 1
1 1430 . 16 1 1 A 116 116 GLN HA H 116 3.830 3.851 -0.021 1
1 1431 . 16 1 1 A 116 116 GLN CB C 116 27.871 27.965 -0.094 1
1 1440 . 16 1 1 A 116 116 GLN C C 116 178.648 178.598 0.050 1
1 1441 . 16 1 1 A 117 117 ARG N N 117 118.476 119.872 -1.396 1
1 1442 . 16 1 1 A 117 117 ARG H H 117 8.028 7.852 0.176 1
1 1443 . 16 1 1 A 117 117 ARG CA C 117 57.607 59.136 -1.529 1
1 1444 . 16 1 1 A 117 117 ARG HA H 117 4.117 4.076 0.041 1
1 1445 . 16 1 1 A 117 117 ARG CB C 117 30.040 30.140 -0.100 1
1 1454 . 16 1 1 A 117 117 ARG C C 117 179.370 178.511 0.859 1
1 1455 . 16 1 1 A 118 118 LEU N N 118 120.407 120.138 0.269 1
1 1456 . 16 1 1 A 118 118 LEU H H 118 8.533 7.909 0.624 1
1 1457 . 16 1 1 A 118 118 LEU CA C 118 58.295 57.940 0.355 1
1 1458 . 16 1 1 A 118 118 LEU HA H 118 3.950 3.998 -0.048 1
1 1459 . 16 1 1 A 118 118 LEU CB C 118 40.472 41.111 -0.639 1
1 1472 . 16 1 1 A 118 118 LEU C C 118 178.577 179.501 -0.924 1
1 1473 . 16 1 1 A 119 119 GLU N N 119 116.858 118.407 -1.549 1
1 1474 . 16 1 1 A 119 119 GLU H H 119 8.220 7.922 0.298 1
1 1475 . 16 1 1 A 119 119 GLU CA C 119 59.441 59.915 -0.474 1
1 1476 . 16 1 1 A 119 119 GLU HA H 119 4.047 4.192 -0.145 1
1 1477 . 16 1 1 A 119 119 GLU CB C 119 29.271 29.355 -0.084 1
1 1483 . 16 1 1 A 119 119 GLU C C 119 179.631 179.245 0.386 1
1 1484 . 16 1 1 A 120 120 GLU N N 120 119.797 120.352 -0.555 1
1 1485 . 16 1 1 A 120 120 GLU H H 120 8.199 8.164 0.035 1
1 1486 . 16 1 1 A 120 120 GLU CA C 120 59.223 59.697 -0.474 1
1 1487 . 16 1 1 A 120 120 GLU HA H 120 4.062 4.052 0.010 1
1 1488 . 16 1 1 A 120 120 GLU CB C 120 29.562 29.137 0.425 1
1 1494 . 16 1 1 A 120 120 GLU C C 120 178.823 179.184 -0.361 1
1 1495 . 16 1 1 A 121 121 ARG N N 121 118.760 119.315 -0.555 1
1 1496 . 16 1 1 A 121 121 ARG H H 121 7.928 7.644 0.284 1
1 1497 . 16 1 1 A 121 121 ARG CA C 121 58.065 59.651 -1.586 1
1 1498 . 16 1 1 A 121 121 ARG HA H 121 4.136 4.220 -0.084 1
1 1499 . 16 1 1 A 121 121 ARG CB C 121 29.478 30.194 -0.716 1
1 1508 . 16 1 1 A 121 121 ARG C C 121 178.426 178.566 -0.140 1
1 1509 . 16 1 1 A 122 122 GLN N N 122 119.430 119.448 -0.018 1
1 1510 . 16 1 1 A 122 122 GLN H H 122 8.323 7.877 0.446 1
1 1511 . 16 1 1 A 122 122 GLN CA C 122 58.489 59.252 -0.763 1
1 1512 . 16 1 1 A 122 122 GLN HA H 122 4.352 4.144 0.208 1
1 1513 . 16 1 1 A 122 122 GLN CB C 122 29.611 28.620 0.991 1
1 1522 . 16 1 1 A 122 122 GLN C C 122 177.291 178.044 -0.753 1
1 1523 . 16 1 1 A 123 123 ARG N N 123 118.341 118.440 -0.099 1
1 1524 . 16 1 1 A 123 123 ARG H H 123 7.920 7.524 0.396 1
1 1525 . 16 1 1 A 123 123 ARG CA C 123 57.695 59.123 -1.428 1
1 1526 . 16 1 1 A 123 123 ARG HA H 123 4.266 4.148 0.118 1
1 1527 . 16 1 1 A 123 123 ARG CB C 123 30.671 30.059 0.612 1
1 1536 . 16 1 1 A 123 123 ARG C C 123 177.214 178.546 -1.332 1
1 1537 . 16 1 1 A 124 124 ARG N N 124 119.452 119.741 -0.289 1
1 1538 . 16 1 1 A 124 124 ARG H H 124 7.850 8.138 -0.288 1
1 1539 . 16 1 1 A 124 124 ARG CA C 124 56.814 59.387 -2.573 1
1 1540 . 16 1 1 A 124 124 ARG HA H 124 4.300 4.069 0.231 1
1 1541 . 16 1 1 A 124 124 ARG CB C 124 30.672 30.109 0.563 1
1 1550 . 16 1 1 A 124 124 ARG C C 124 176.540 175.820 0.720 1
1 1551 . 16 1 1 A 125 125 ARG N N 125 120.963 115.056 5.907 1
1 1552 . 16 1 1 A 125 125 ARG H H 125 8.081 7.773 0.308 1
1 1553 . 16 1 1 A 125 125 ARG CA C 125 56.514 55.758 0.756 1
1 1554 . 16 1 1 A 125 125 ARG HA H 125 4.355 4.637 -0.282 1
1 1555 . 16 1 1 A 125 125 ARG CB C 125 30.694 31.658 -0.964 1
1 1564 . 16 1 1 A 125 125 ARG C C 125 176.133 176.306 -0.173 1
1 1565 . 16 1 1 A 126 126 LYS N N 126 122.811 122.498 0.313 1
1 1566 . 16 1 1 A 126 126 LYS H H 126 8.252 8.429 -0.177 1
1 1567 . 16 1 1 A 126 126 LYS CA C 126 56.430 57.245 -0.815 1
1 1568 . 16 1 1 A 126 126 LYS HA H 126 4.351 4.232 0.119 1
1 1569 . 16 1 1 A 126 126 LYS CB C 126 33.017 32.800 0.217 1
1 1581 . 16 1 1 A 126 126 LYS C C 126 175.649 176.607 -0.958 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.715 57.597 1.118 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.472 5.271 -0.799 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.934 66.968 -3.034 1
1 6 . 17 1 1 A 6 6 SER C C 6 174.927 172.848 2.079 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.435 112.567 -2.132 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.348 8.921 -0.573 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.364 46.727 -1.363 1
1 10 . 17 1 1 A 7 7 GLY HA2 H 7 3.919 4.038 -0.119 1
1 11 . 17 1 1 A 7 7 GLY HA3 H 7 3.919 4.038 -0.119 1
1 12 . 17 1 1 A 7 7 GLY C C 7 173.952 172.675 1.277 1
1 13 . 17 1 1 A 8 8 MET N N 8 119.481 124.528 -5.047 1
1 14 . 17 1 1 A 8 8 MET H H 8 8.163 8.669 -0.506 1
1 15 . 17 1 1 A 8 8 MET CA C 8 55.472 54.157 1.315 1
1 16 . 17 1 1 A 8 8 MET HA H 8 4.486 4.842 -0.356 1
1 17 . 17 1 1 A 8 8 MET CB C 8 33.598 33.063 0.535 1
1 27 . 17 1 1 A 8 8 MET C C 8 176.019 174.974 1.045 1
1 28 . 17 1 1 A 9 9 ALA N N 9 125.433 129.395 -3.962 1
1 29 . 17 1 1 A 9 9 ALA H H 9 8.436 8.610 -0.174 1
1 30 . 17 1 1 A 9 9 ALA CA C 9 52.481 53.107 -0.626 1
1 31 . 17 1 1 A 9 9 ALA HA H 9 4.381 4.293 0.088 1
1 32 . 17 1 1 A 9 9 ALA CB C 9 19.322 19.183 0.139 1
1 36 . 17 1 1 A 9 9 ALA C C 9 177.349 177.287 0.062 1
1 37 . 17 1 1 A 10 10 SER N N 10 114.383 118.080 -3.697 1
1 38 . 17 1 1 A 10 10 SER H H 10 8.372 8.777 -0.405 1
1 39 . 17 1 1 A 10 10 SER CA C 10 58.607 56.934 1.673 1
1 40 . 17 1 1 A 10 10 SER HA H 10 4.470 4.953 -0.483 1
1 41 . 17 1 1 A 10 10 SER CB C 10 63.979 65.912 -1.933 1
1 44 . 17 1 1 A 10 10 SER C C 10 174.323 173.002 1.321 1
1 45 . 17 1 1 A 11 11 SER N N 11 116.549 120.392 -3.843 1
1 46 . 17 1 1 A 11 11 SER H H 11 8.111 8.572 -0.461 1
1 47 . 17 1 1 A 11 11 SER CA C 11 58.189 59.329 -1.140 1
1 48 . 17 1 1 A 11 11 SER HA H 11 4.487 4.431 0.056 1
1 49 . 17 1 1 A 11 11 SER CB C 11 64.081 63.960 0.121 1
1 52 . 17 1 1 A 11 11 SER C C 11 173.692 175.206 -1.514 1
1 53 . 17 1 1 A 12 12 VAL N N 12 120.502 122.416 -1.914 1
1 54 . 17 1 1 A 12 12 VAL H H 12 8.207 8.211 -0.004 1
1 55 . 17 1 1 A 12 12 VAL CA C 12 61.847 63.486 -1.639 1
1 56 . 17 1 1 A 12 12 VAL HA H 12 4.150 4.020 0.130 1
1 57 . 17 1 1 A 12 12 VAL CB C 12 33.269 32.077 1.192 1
1 67 . 17 1 1 A 12 12 VAL C C 12 174.930 175.482 -0.552 1
1 68 . 17 1 1 A 13 13 ASP N N 13 124.104 124.865 -0.761 1
1 69 . 17 1 1 A 13 13 ASP H H 13 7.953 8.747 -0.794 1
1 70 . 17 1 1 A 13 13 ASP CA C 13 53.249 52.529 0.720 1
1 71 . 17 1 1 A 13 13 ASP HA H 13 4.661 4.988 -0.327 1
1 72 . 17 1 1 A 13 13 ASP CB C 13 41.891 43.576 -1.685 1
1 75 . 17 1 1 A 13 13 ASP C C 13 176.009 176.334 -0.325 1
1 76 . 17 1 1 A 14 14 GLU N N 14 120.197 120.442 -0.245 1
1 77 . 17 1 1 A 14 14 GLU H H 14 8.568 9.090 -0.522 1
1 78 . 17 1 1 A 14 14 GLU CA C 14 59.932 59.582 0.350 1
1 79 . 17 1 1 A 14 14 GLU HA H 14 3.944 3.958 -0.014 1
1 80 . 17 1 1 A 14 14 GLU CB C 14 29.670 29.180 0.490 1
1 86 . 17 1 1 A 14 14 GLU C C 14 178.863 178.886 -0.023 1
1 87 . 17 1 1 A 15 15 GLU N N 15 120.713 119.981 0.732 1
1 88 . 17 1 1 A 15 15 GLU H H 15 8.312 8.518 -0.206 1
1 89 . 17 1 1 A 15 15 GLU CA C 15 59.101 59.616 -0.515 1
1 90 . 17 1 1 A 15 15 GLU HA H 15 4.244 4.035 0.209 1
1 91 . 17 1 1 A 15 15 GLU CB C 15 28.917 29.302 -0.385 1
1 97 . 17 1 1 A 15 15 GLU C C 15 178.511 178.096 0.415 1
1 98 . 17 1 1 A 16 16 ALA N N 16 123.041 121.740 1.301 1
1 99 . 17 1 1 A 16 16 ALA H H 16 8.047 8.461 -0.414 1
1 100 . 17 1 1 A 16 16 ALA CA C 16 54.830 55.151 -0.321 1
1 101 . 17 1 1 A 16 16 ALA HA H 16 4.093 4.122 -0.029 1
1 102 . 17 1 1 A 16 16 ALA CB C 16 18.371 18.584 -0.213 1
1 106 . 17 1 1 A 16 16 ALA C C 16 181.428 180.217 1.211 1
1 107 . 17 1 1 A 17 17 LEU N N 17 119.436 118.484 0.952 1
1 108 . 17 1 1 A 17 17 LEU H H 17 8.042 7.749 0.293 1
1 109 . 17 1 1 A 17 17 LEU CA C 17 57.623 58.111 -0.488 1
1 110 . 17 1 1 A 17 17 LEU HA H 17 3.838 3.975 -0.137 1
1 111 . 17 1 1 A 17 17 LEU CB C 17 41.323 42.309 -0.986 1
1 124 . 17 1 1 A 17 17 LEU C C 17 177.590 178.965 -1.375 1
1 125 . 17 1 1 A 18 18 HIS N N 18 118.394 117.916 0.478 1
1 126 . 17 1 1 A 18 18 HIS H H 18 8.182 7.900 0.282 1
1 127 . 17 1 1 A 18 18 HIS CA C 18 59.415 60.045 -0.630 1
1 128 . 17 1 1 A 18 18 HIS HA H 18 4.435 3.952 0.483 1
1 129 . 17 1 1 A 18 18 HIS CB C 18 29.560 29.761 -0.201 1
1 136 . 17 1 1 A 18 18 HIS C C 18 178.114 176.712 1.402 1
1 137 . 17 1 1 A 19 19 GLN N N 19 115.623 116.815 -1.192 1
1 138 . 17 1 1 A 19 19 GLN H H 19 8.178 8.116 0.062 1
1 139 . 17 1 1 A 19 19 GLN CA C 19 58.406 59.314 -0.908 1
1 140 . 17 1 1 A 19 19 GLN HA H 19 3.904 3.783 0.121 1
1 141 . 17 1 1 A 19 19 GLN CB C 19 28.118 28.415 -0.297 1
1 150 . 17 1 1 A 19 19 GLN C C 19 179.132 178.496 0.636 1
1 151 . 17 1 1 A 20 20 LEU N N 20 122.817 121.898 0.919 1
1 152 . 17 1 1 A 20 20 LEU H H 20 7.949 8.157 -0.208 1
1 153 . 17 1 1 A 20 20 LEU CA C 20 58.278 57.981 0.297 1
1 154 . 17 1 1 A 20 20 LEU HA H 20 4.233 4.147 0.086 1
1 155 . 17 1 1 A 20 20 LEU CB C 20 40.850 42.058 -1.208 1
1 168 . 17 1 1 A 20 20 LEU C C 20 178.466 178.408 0.058 1
1 169 . 17 1 1 A 21 21 TYR N N 21 118.825 118.899 -0.074 1
1 170 . 17 1 1 A 21 21 TYR H H 21 8.376 8.218 0.158 1
1 171 . 17 1 1 A 21 21 TYR CA C 21 60.605 60.623 -0.018 1
1 172 . 17 1 1 A 21 21 TYR HA H 21 4.286 4.349 -0.063 1
1 173 . 17 1 1 A 21 21 TYR CB C 21 36.667 38.699 -2.032 1
1 184 . 17 1 1 A 21 21 TYR C C 21 178.654 178.200 0.454 1
1 185 . 17 1 1 A 22 22 LEU N N 22 118.954 119.712 -0.758 1
1 186 . 17 1 1 A 22 22 LEU H H 22 7.869 8.710 -0.841 1
1 187 . 17 1 1 A 22 22 LEU CA C 22 57.887 58.329 -0.442 1
1 188 . 17 1 1 A 22 22 LEU HA H 22 4.076 3.799 0.277 1
1 189 . 17 1 1 A 22 22 LEU CB C 22 42.250 41.904 0.346 1
1 202 . 17 1 1 A 22 22 LEU C C 22 178.877 178.644 0.233 1
1 203 . 17 1 1 A 23 23 TRP N N 23 120.668 120.224 0.444 1
1 204 . 17 1 1 A 23 23 TRP H H 23 7.804 8.199 -0.395 1
1 205 . 17 1 1 A 23 23 TRP CA C 23 60.711 61.200 -0.489 1
1 206 . 17 1 1 A 23 23 TRP HA H 23 4.436 4.132 0.304 1
1 207 . 17 1 1 A 23 23 TRP CB C 23 28.035 29.798 -1.763 1
1 222 . 17 1 1 A 23 23 TRP C C 23 178.471 178.176 0.295 1
1 223 . 17 1 1 A 24 24 VAL N N 24 116.831 119.376 -2.545 1
1 224 . 17 1 1 A 24 24 VAL H H 24 8.503 8.032 0.471 1
1 225 . 17 1 1 A 24 24 VAL CA C 24 66.014 66.347 -0.333 1
1 226 . 17 1 1 A 24 24 VAL HA H 24 3.084 2.891 0.193 1
1 227 . 17 1 1 A 24 24 VAL CB C 24 31.826 31.386 0.440 1
1 237 . 17 1 1 A 24 24 VAL C C 24 178.212 177.509 0.703 1
1 238 . 17 1 1 A 25 25 ASP N N 25 117.894 120.060 -2.166 1
1 239 . 17 1 1 A 25 25 ASP H H 25 8.140 7.970 0.170 1
1 240 . 17 1 1 A 25 25 ASP CA C 25 57.043 57.585 -0.542 1
1 241 . 17 1 1 A 25 25 ASP HA H 25 4.290 4.264 0.026 1
1 242 . 17 1 1 A 25 25 ASP CB C 25 41.067 40.842 0.225 1
1 245 . 17 1 1 A 25 25 ASP C C 25 177.163 177.850 -0.687 1
1 246 . 17 1 1 A 26 26 ASN N N 26 114.914 116.993 -2.079 1
1 247 . 17 1 1 A 26 26 ASN H H 26 7.229 7.813 -0.584 1
1 248 . 17 1 1 A 26 26 ASN CA C 26 53.375 56.587 -3.212 1
1 249 . 17 1 1 A 26 26 ASN HA H 26 4.607 4.388 0.219 1
1 250 . 17 1 1 A 26 26 ASN CB C 26 40.048 38.759 1.289 1
1 256 . 17 1 1 A 26 26 ASN C C 26 174.227 175.911 -1.684 1
1 257 . 17 1 1 A 27 27 ILE N N 27 123.268 119.293 3.975 1
1 258 . 17 1 1 A 27 27 ILE H H 27 7.212 7.480 -0.268 1
1 259 . 17 1 1 A 27 27 ILE CA C 27 58.327 59.963 -1.636 1
1 260 . 17 1 1 A 27 27 ILE HA H 27 3.628 4.111 -0.483 1
1 261 . 17 1 1 A 27 27 ILE CB C 27 39.403 38.230 1.173 1
1 274 . 17 1 1 A 27 27 ILE C C 27 173.764 174.428 -0.664 1
1 275 . 17 1 1 A 28 28 PRO CA C 28 62.584 62.603 -0.019 1
1 276 . 17 1 1 A 28 28 PRO HA H 28 4.354 4.695 -0.341 1
1 277 . 17 1 1 A 28 28 PRO CB C 28 30.056 31.613 -1.557 1
1 286 . 17 1 1 A 28 28 PRO C C 28 175.419 175.872 -0.453 1
1 287 . 17 1 1 A 29 29 LEU N N 29 125.355 125.265 0.090 1
1 288 . 17 1 1 A 29 29 LEU H H 29 8.118 8.701 -0.583 1
1 289 . 17 1 1 A 29 29 LEU CA C 29 53.358 53.521 -0.163 1
1 290 . 17 1 1 A 29 29 LEU HA H 29 4.748 4.704 0.044 1
1 291 . 17 1 1 A 29 29 LEU CB C 29 45.279 44.819 0.460 1
1 304 . 17 1 1 A 29 29 LEU C C 29 178.577 175.765 2.812 1
1 305 . 17 1 1 A 31 31 ARG CA C 31 53.250 53.789 -0.539 1
1 306 . 17 1 1 A 31 31 ARG HA H 31 4.787 4.945 -0.158 1
1 307 . 17 1 1 A 31 31 ARG CB C 31 32.107 33.530 -1.423 1
1 316 . 17 1 1 A 32 32 PRO CA C 32 62.865 62.572 0.293 1
1 317 . 17 1 1 A 32 32 PRO HA H 32 4.300 4.494 -0.194 1
1 318 . 17 1 1 A 32 32 PRO CB C 32 32.193 32.427 -0.234 1
1 327 . 17 1 1 A 33 33 LYS CA C 33 56.154 55.875 0.279 1
1 328 . 17 1 1 A 33 33 LYS HA H 33 4.361 4.515 -0.154 1
1 329 . 17 1 1 A 33 33 LYS CB C 33 32.368 31.873 0.495 1
1 341 . 17 1 1 A 34 34 ARG N N 34 122.768 119.218 3.550 1
1 342 . 17 1 1 A 34 34 ARG H H 34 8.410 7.849 0.561 1
1 343 . 17 1 1 A 34 34 ARG HA H 34 4.336 4.571 -0.235 1
1 344 . 17 1 1 A 34 34 ARG CB C 34 31.894 32.322 -0.428 1
1 349 . 17 1 1 A 35 35 ASN CA C 35 53.153 52.293 0.860 1
1 350 . 17 1 1 A 35 35 ASN HA H 35 4.771 5.161 -0.390 1
1 351 . 17 1 1 A 35 35 ASN CB C 35 39.425 40.830 -1.405 1
1 357 . 17 1 1 A 36 36 LEU N N 36 110.943 128.487 -17.544 1
1 358 . 17 1 1 A 36 36 LEU H H 36 8.305 8.811 -0.506 1
1 359 . 17 1 1 A 36 36 LEU CA C 36 60.191 57.710 2.481 1
1 360 . 17 1 1 A 36 36 LEU HA H 36 4.140 4.211 -0.071 1
1 361 . 17 1 1 A 36 36 LEU CB C 36 41.876 42.296 -0.420 1
1 374 . 17 1 1 A 37 37 SER CA C 37 61.673 61.722 -0.049 1
1 375 . 17 1 1 A 37 37 SER HA H 37 4.080 4.161 -0.081 1
1 376 . 17 1 1 A 37 37 SER CB C 37 62.700 62.963 -0.263 1
1 379 . 17 1 1 A 38 38 ARG N N 38 119.288 121.951 -2.663 1
1 380 . 17 1 1 A 38 38 ARG H H 38 7.773 8.117 -0.344 1
1 381 . 17 1 1 A 38 38 ARG HA H 38 4.587 4.393 0.194 1
1 384 . 17 1 1 A 39 39 ASP N N 39 121.607 119.638 1.969 1
1 385 . 17 1 1 A 39 39 ASP H H 39 9.487 8.066 1.421 1
1 386 . 17 1 1 A 39 39 ASP CA C 39 58.026 57.354 0.672 1
1 387 . 17 1 1 A 39 39 ASP HA H 39 4.518 4.215 0.303 1
1 388 . 17 1 1 A 39 39 ASP CB C 39 40.039 40.350 -0.311 1
1 391 . 17 1 1 A 40 40 PHE N N 40 115.310 119.733 -4.423 1
1 392 . 17 1 1 A 40 40 PHE H H 40 8.300 8.017 0.283 1
1 393 . 17 1 1 A 40 40 PHE CA C 40 59.420 60.477 -1.057 1
1 394 . 17 1 1 A 40 40 PHE HA H 40 4.605 4.293 0.312 1
1 395 . 17 1 1 A 40 40 PHE CB C 40 39.030 38.753 0.277 1
1 408 . 17 1 1 A 41 41 SER N N 41 115.417 116.063 -0.646 1
1 409 . 17 1 1 A 41 41 SER H H 41 7.441 8.722 -1.281 1
1 410 . 17 1 1 A 41 41 SER CA C 41 62.290 61.397 0.893 1
1 411 . 17 1 1 A 41 41 SER HA H 41 4.341 4.428 -0.087 1
1 412 . 17 1 1 A 41 41 SER CB C 41 64.510 63.057 1.453 1
1 415 . 17 1 1 A 42 42 ASP N N 42 117.563 119.523 -1.960 1
1 416 . 17 1 1 A 42 42 ASP H H 42 8.726 7.716 1.010 1
1 417 . 17 1 1 A 42 42 ASP CA C 42 53.746 54.105 -0.359 1
1 418 . 17 1 1 A 42 42 ASP HA H 42 4.780 4.883 -0.103 1
1 419 . 17 1 1 A 42 42 ASP CB C 42 42.695 40.901 1.794 1
1 422 . 17 1 1 A 42 42 ASP C C 42 176.013 176.569 -0.556 1
1 423 . 17 1 1 A 43 43 GLY N N 43 106.643 109.832 -3.189 1
1 424 . 17 1 1 A 43 43 GLY H H 43 7.388 8.902 -1.514 1
1 425 . 17 1 1 A 43 43 GLY CA C 43 45.230 46.981 -1.751 1
1 426 . 17 1 1 A 43 43 GLY HA2 H 43 3.131 2.577 0.554 1
1 427 . 17 1 1 A 43 43 GLY HA3 H 43 2.588 3.178 -0.590 1
1 428 . 17 1 1 A 43 43 GLY C C 43 173.476 175.298 -1.822 1
1 429 . 17 1 1 A 44 44 VAL N N 44 121.300 122.067 -0.767 1
1 430 . 17 1 1 A 44 44 VAL H H 44 7.874 8.005 -0.131 1
1 431 . 17 1 1 A 44 44 VAL CA C 44 67.198 65.916 1.282 1
1 432 . 17 1 1 A 44 44 VAL HA H 44 3.018 3.520 -0.502 1
1 433 . 17 1 1 A 44 44 VAL CB C 44 31.139 31.510 -0.371 1
1 443 . 17 1 1 A 44 44 VAL C C 44 177.853 178.304 -0.451 1
1 444 . 17 1 1 A 45 45 LEU N N 45 114.495 120.450 -5.955 1
1 445 . 17 1 1 A 45 45 LEU H H 45 8.945 7.848 1.097 1
1 446 . 17 1 1 A 45 45 LEU CA C 45 57.466 57.871 -0.405 1
1 447 . 17 1 1 A 45 45 LEU HA H 45 3.838 3.943 -0.105 1
1 448 . 17 1 1 A 45 45 LEU CB C 45 40.503 41.563 -1.060 1
1 461 . 17 1 1 A 45 45 LEU C C 45 179.257 178.615 0.642 1
1 462 . 17 1 1 A 46 46 VAL N N 46 118.354 119.509 -1.155 1
1 463 . 17 1 1 A 46 46 VAL H H 46 7.422 7.311 0.111 1
1 464 . 17 1 1 A 46 46 VAL CA C 46 67.288 66.515 0.773 1
1 465 . 17 1 1 A 46 46 VAL HA H 46 3.469 3.739 -0.270 1
1 466 . 17 1 1 A 46 46 VAL CB C 46 30.173 31.533 -1.360 1
1 476 . 17 1 1 A 46 46 VAL C C 46 176.954 178.144 -1.190 1
1 477 . 17 1 1 A 47 47 ALA N N 47 121.963 121.556 0.407 1
1 478 . 17 1 1 A 47 47 ALA H H 47 7.272 8.073 -0.801 1
1 479 . 17 1 1 A 47 47 ALA CA C 47 55.991 55.737 0.254 1
1 480 . 17 1 1 A 47 47 ALA HA H 47 3.576 3.930 -0.354 1
1 481 . 17 1 1 A 47 47 ALA CB C 47 17.292 18.221 -0.929 1
1 485 . 17 1 1 A 47 47 ALA C C 47 178.880 180.059 -1.179 1
1 486 . 17 1 1 A 48 48 GLU N N 48 116.763 118.123 -1.360 1
1 487 . 17 1 1 A 48 48 GLU H H 48 8.081 7.686 0.395 1
1 488 . 17 1 1 A 48 48 GLU CA C 48 60.605 59.529 1.076 1
1 489 . 17 1 1 A 48 48 GLU HA H 48 3.851 3.984 -0.133 1
1 490 . 17 1 1 A 48 48 GLU CB C 48 30.467 29.301 1.166 1
1 496 . 17 1 1 A 48 48 GLU C C 48 180.175 179.225 0.950 1
1 497 . 17 1 1 A 49 49 VAL N N 49 122.024 119.890 2.134 1
1 498 . 17 1 1 A 49 49 VAL H H 49 8.325 7.560 0.765 1
1 499 . 17 1 1 A 49 49 VAL CA C 49 67.146 66.270 0.876 1
1 500 . 17 1 1 A 49 49 VAL HA H 49 3.530 3.643 -0.113 1
1 501 . 17 1 1 A 49 49 VAL CB C 49 31.543 31.510 0.033 1
1 511 . 17 1 1 A 49 49 VAL C C 49 177.168 178.592 -1.424 1
1 512 . 17 1 1 A 50 50 ILE N N 50 117.821 120.472 -2.651 1
1 513 . 17 1 1 A 50 50 ILE H H 50 7.947 8.132 -0.185 1
1 514 . 17 1 1 A 50 50 ILE CA C 50 66.217 65.410 0.807 1
1 515 . 17 1 1 A 50 50 ILE HA H 50 3.757 3.756 0.001 1
1 516 . 17 1 1 A 50 50 ILE CB C 50 37.952 37.536 0.416 1
1 529 . 17 1 1 A 50 50 ILE C C 50 177.890 178.063 -0.173 1
1 530 . 17 1 1 A 51 51 LYS N N 51 121.589 121.290 0.299 1
1 531 . 17 1 1 A 51 51 LYS H H 51 8.790 8.164 0.626 1
1 532 . 17 1 1 A 51 51 LYS CA C 51 58.277 59.763 -1.486 1
1 533 . 17 1 1 A 51 51 LYS HA H 51 3.816 4.038 -0.222 1
1 534 . 17 1 1 A 51 51 LYS CB C 51 32.898 32.608 0.290 1
1 546 . 17 1 1 A 51 51 LYS C C 51 176.668 178.659 -1.991 1
1 547 . 17 1 1 A 52 52 PHE N N 52 117.622 120.127 -2.505 1
1 548 . 17 1 1 A 52 52 PHE H H 52 7.768 8.350 -0.582 1
1 549 . 17 1 1 A 52 52 PHE CA C 52 60.585 61.493 -0.908 1
1 550 . 17 1 1 A 52 52 PHE HA H 52 4.090 4.010 0.080 1
1 551 . 17 1 1 A 52 52 PHE CB C 52 38.775 38.925 -0.150 1
1 564 . 17 1 1 A 52 52 PHE C C 52 176.831 177.008 -0.177 1
1 565 . 17 1 1 A 53 53 TYR N N 53 115.876 116.472 -0.596 1
1 566 . 17 1 1 A 53 53 TYR H H 53 7.346 8.286 -0.940 1
1 567 . 17 1 1 A 53 53 TYR CA C 53 61.264 60.089 1.175 1
1 568 . 17 1 1 A 53 53 TYR HA H 53 3.697 4.319 -0.622 1
1 569 . 17 1 1 A 53 53 TYR CB C 53 41.522 39.072 2.450 1
1 580 . 17 1 1 A 53 53 TYR C C 53 175.972 175.373 0.599 1
1 581 . 17 1 1 A 54 54 PHE N N 54 116.478 116.493 -0.015 1
1 582 . 17 1 1 A 54 54 PHE H H 54 8.877 8.414 0.463 1
1 583 . 17 1 1 A 54 54 PHE CA C 54 55.553 54.977 0.576 1
1 584 . 17 1 1 A 54 54 PHE HA H 54 5.173 5.110 0.063 1
1 585 . 17 1 1 A 54 54 PHE CB C 54 40.841 39.485 1.356 1
1 598 . 17 1 1 A 54 54 PHE C C 54 173.424 174.666 -1.242 1
1 599 . 17 1 1 A 55 55 PRO CA C 55 65.147 65.424 -0.277 1
1 600 . 17 1 1 A 55 55 PRO HA H 55 4.591 4.383 0.208 1
1 601 . 17 1 1 A 55 55 PRO CB C 55 32.014 31.957 0.057 1
1 610 . 17 1 1 A 55 55 PRO C C 55 179.255 178.712 0.543 1
1 611 . 17 1 1 A 56 56 LYS N N 56 113.672 116.787 -3.115 1
1 612 . 17 1 1 A 56 56 LYS H H 56 8.639 8.915 -0.276 1
1 613 . 17 1 1 A 56 56 LYS CA C 56 56.918 58.987 -2.069 1
1 614 . 17 1 1 A 56 56 LYS HA H 56 4.384 4.104 0.280 1
1 615 . 17 1 1 A 56 56 LYS CB C 56 31.868 32.038 -0.170 1
1 627 . 17 1 1 A 56 56 LYS C C 56 178.220 178.984 -0.764 1
1 628 . 17 1 1 A 57 57 MET N N 57 116.692 119.159 -2.467 1
1 629 . 17 1 1 A 57 57 MET H H 57 8.099 8.279 -0.180 1
1 630 . 17 1 1 A 57 57 MET CA C 57 57.537 58.575 -1.038 1
1 631 . 17 1 1 A 57 57 MET HA H 57 4.260 4.186 0.074 1
1 632 . 17 1 1 A 57 57 MET CB C 57 35.400 32.623 2.777 1
1 642 . 17 1 1 A 57 57 MET C C 57 174.856 178.607 -3.751 1
1 643 . 17 1 1 A 58 58 VAL N N 58 114.727 120.021 -5.294 1
1 644 . 17 1 1 A 58 58 VAL H H 58 6.872 7.592 -0.720 1
1 645 . 17 1 1 A 58 58 VAL CA C 58 60.834 66.835 -6.001 1
1 646 . 17 1 1 A 58 58 VAL HA H 58 4.421 3.633 0.788 1
1 647 . 17 1 1 A 58 58 VAL CB C 58 36.223 31.561 4.662 1
1 657 . 17 1 1 A 58 58 VAL C C 58 173.747 176.150 -2.403 1
1 658 . 17 1 1 A 59 59 GLU N N 59 127.314 118.100 9.214 1
1 659 . 17 1 1 A 59 59 GLU H H 59 8.783 8.011 0.772 1
1 660 . 17 1 1 A 59 59 GLU CA C 59 54.465 57.278 -2.813 1
1 661 . 17 1 1 A 59 59 GLU HA H 59 4.671 4.109 0.562 1
1 662 . 17 1 1 A 59 59 GLU CB C 59 30.020 27.020 3.000 1
1 668 . 17 1 1 A 59 59 GLU C C 59 176.450 176.275 0.175 1
1 669 . 17 1 1 A 60 60 MET N N 60 122.273 118.441 3.832 1
1 670 . 17 1 1 A 60 60 MET H H 60 9.004 7.836 1.168 1
1 671 . 17 1 1 A 60 60 MET CA C 60 55.751 58.555 -2.804 1
1 672 . 17 1 1 A 60 60 MET HA H 60 4.613 4.215 0.398 1
1 673 . 17 1 1 A 60 60 MET CB C 60 29.356 31.940 -2.584 1
1 683 . 17 1 1 A 60 60 MET C C 60 178.387 178.171 0.216 1
1 684 . 17 1 1 A 61 61 HIS N N 61 115.823 118.649 -2.826 1
1 685 . 17 1 1 A 61 61 HIS H H 61 8.198 7.890 0.308 1
1 686 . 17 1 1 A 61 61 HIS CA C 61 57.963 59.232 -1.269 1
1 687 . 17 1 1 A 61 61 HIS HA H 61 4.341 4.364 -0.023 1
1 688 . 17 1 1 A 61 61 HIS CB C 61 29.235 29.618 -0.383 1
1 695 . 17 1 1 A 61 61 HIS C C 61 175.800 177.737 -1.937 1
1 696 . 17 1 1 A 62 62 ASN N N 62 115.093 116.247 -1.154 1
1 697 . 17 1 1 A 62 62 ASN H H 62 6.895 7.897 -1.002 1
1 698 . 17 1 1 A 62 62 ASN CA C 62 54.503 56.373 -1.870 1
1 699 . 17 1 1 A 62 62 ASN HA H 62 3.872 4.282 -0.410 1
1 700 . 17 1 1 A 62 62 ASN CB C 62 38.749 38.321 0.428 1
1 706 . 17 1 1 A 62 62 ASN C C 62 173.014 176.151 -3.137 1
1 707 . 17 1 1 A 63 63 TYR N N 63 118.560 117.203 1.357 1
1 708 . 17 1 1 A 63 63 TYR H H 63 7.255 7.227 0.028 1
1 709 . 17 1 1 A 63 63 TYR CA C 63 56.311 58.425 -2.114 1
1 710 . 17 1 1 A 63 63 TYR HA H 63 4.481 4.610 -0.129 1
1 711 . 17 1 1 A 63 63 TYR CB C 63 39.138 39.315 -0.177 1
1 722 . 17 1 1 A 63 63 TYR C C 63 173.223 175.833 -2.610 1
1 723 . 17 1 1 A 64 64 VAL N N 64 122.318 120.154 2.164 1
1 724 . 17 1 1 A 64 64 VAL H H 64 7.750 8.618 -0.868 1
1 725 . 17 1 1 A 64 64 VAL CA C 64 58.601 58.991 -0.390 1
1 726 . 17 1 1 A 64 64 VAL HA H 64 4.469 4.662 -0.193 1
1 727 . 17 1 1 A 64 64 VAL CB C 64 33.747 35.443 -1.696 1
1 737 . 17 1 1 A 64 64 VAL C C 64 173.983 173.714 0.269 1
1 738 . 17 1 1 A 65 65 PRO CA C 65 63.212 62.610 0.602 1
1 739 . 17 1 1 A 65 65 PRO HA H 65 4.348 4.829 -0.481 1
1 740 . 17 1 1 A 65 65 PRO CB C 65 31.279 32.893 -1.614 1
1 749 . 17 1 1 A 65 65 PRO C C 65 176.821 176.034 0.787 1
1 750 . 17 1 1 A 66 66 ALA N N 66 125.896 122.821 3.075 1
1 751 . 17 1 1 A 66 66 ALA H H 66 8.563 8.282 0.281 1
1 752 . 17 1 1 A 66 66 ALA CA C 66 52.003 50.973 1.030 1
1 753 . 17 1 1 A 66 66 ALA HA H 66 4.651 4.766 -0.115 1
1 754 . 17 1 1 A 66 66 ALA CB C 66 24.137 23.170 0.967 1
1 758 . 17 1 1 A 66 66 ALA C C 66 176.244 177.213 -0.969 1
1 759 . 17 1 1 A 67 67 ASN CA C 67 52.862 54.947 -2.085 1
1 760 . 17 1 1 A 67 67 ASN HA H 67 4.988 4.736 0.252 1
1 761 . 17 1 1 A 67 67 ASN CB C 67 40.168 39.659 0.509 1
1 767 . 17 1 1 A 67 67 ASN C C 67 174.896 175.582 -0.686 1
1 768 . 17 1 1 A 68 68 SER N N 68 114.553 114.809 -0.256 1
1 769 . 17 1 1 A 68 68 SER H H 68 7.777 7.715 0.062 1
1 770 . 17 1 1 A 68 68 SER CA C 68 56.741 58.541 -1.800 1
1 771 . 17 1 1 A 68 68 SER HA H 68 4.737 4.496 0.241 1
1 772 . 17 1 1 A 68 68 SER CB C 68 65.267 63.838 1.429 1
1 775 . 17 1 1 A 68 68 SER C C 68 174.542 175.012 -0.470 1
1 776 . 17 1 1 A 69 69 LEU CA C 69 59.000 57.877 1.123 1
1 777 . 17 1 1 A 69 69 LEU HA H 69 3.961 3.961 0.000 1
1 778 . 17 1 1 A 69 69 LEU CB C 69 41.679 41.709 -0.030 1
1 791 . 17 1 1 A 69 69 LEU C C 69 178.629 178.634 -0.005 1
1 792 . 17 1 1 A 70 70 GLN N N 70 115.924 117.228 -1.304 1
1 793 . 17 1 1 A 70 70 GLN H H 70 8.785 8.419 0.366 1
1 794 . 17 1 1 A 70 70 GLN CA C 70 59.728 59.535 0.193 1
1 795 . 17 1 1 A 70 70 GLN HA H 70 3.977 3.975 0.002 1
1 796 . 17 1 1 A 70 70 GLN CB C 70 27.912 28.295 -0.383 1
1 805 . 17 1 1 A 70 70 GLN C C 70 178.954 178.496 0.458 1
1 806 . 17 1 1 A 71 71 GLN N N 71 118.694 119.648 -0.954 1
1 807 . 17 1 1 A 71 71 GLN H H 71 7.780 7.969 -0.189 1
1 808 . 17 1 1 A 71 71 GLN CA C 71 58.233 58.875 -0.642 1
1 809 . 17 1 1 A 71 71 GLN HA H 71 4.219 4.038 0.181 1
1 810 . 17 1 1 A 71 71 GLN CB C 71 29.089 28.118 0.971 1
1 819 . 17 1 1 A 71 71 GLN C C 71 178.724 177.951 0.773 1
1 820 . 17 1 1 A 72 72 LYS N N 72 119.661 118.343 1.318 1
1 821 . 17 1 1 A 72 72 LYS H H 72 8.094 7.525 0.569 1
1 822 . 17 1 1 A 72 72 LYS CA C 72 61.528 59.659 1.869 1
1 823 . 17 1 1 A 72 72 LYS HA H 72 4.206 4.039 0.167 1
1 824 . 17 1 1 A 72 72 LYS CB C 72 33.806 32.533 1.273 1
1 836 . 17 1 1 A 72 72 LYS C C 72 179.041 179.288 -0.247 1
1 837 . 17 1 1 A 73 73 LEU N N 73 117.098 120.883 -3.785 1
1 838 . 17 1 1 A 73 73 LEU H H 73 8.602 8.054 0.548 1
1 839 . 17 1 1 A 73 73 LEU CA C 73 58.118 57.877 0.241 1
1 840 . 17 1 1 A 73 73 LEU HA H 73 4.287 4.110 0.177 1
1 841 . 17 1 1 A 73 73 LEU CB C 73 40.831 41.595 -0.764 1
1 854 . 17 1 1 A 73 73 LEU C C 73 180.838 179.035 1.803 1
1 855 . 17 1 1 A 74 74 SER N N 74 118.060 113.788 4.272 1
1 856 . 17 1 1 A 74 74 SER H H 74 8.334 8.052 0.282 1
1 857 . 17 1 1 A 74 74 SER CA C 74 61.971 61.818 0.153 1
1 858 . 17 1 1 A 74 74 SER HA H 74 4.431 4.159 0.272 1
1 859 . 17 1 1 A 74 74 SER CB C 74 62.560 63.072 -0.512 1
1 862 . 17 1 1 A 74 74 SER C C 74 177.493 177.420 0.073 1
1 863 . 17 1 1 A 75 75 ASN N N 75 121.688 119.313 2.375 1
1 864 . 17 1 1 A 75 75 ASN H H 75 8.266 8.211 0.055 1
1 865 . 17 1 1 A 75 75 ASN CA C 75 56.090 56.537 -0.447 1
1 866 . 17 1 1 A 75 75 ASN HA H 75 4.739 4.609 0.130 1
1 867 . 17 1 1 A 75 75 ASN CB C 75 38.184 38.236 -0.052 1
1 873 . 17 1 1 A 75 75 ASN C C 75 177.792 178.187 -0.395 1
1 874 . 17 1 1 A 76 76 TRP N N 76 118.943 120.055 -1.112 1
1 875 . 17 1 1 A 76 76 TRP H H 76 8.510 8.270 0.240 1
1 876 . 17 1 1 A 76 76 TRP CA C 76 62.294 59.464 2.830 1
1 877 . 17 1 1 A 76 76 TRP HA H 76 4.173 4.131 0.042 1
1 878 . 17 1 1 A 76 76 TRP CB C 76 29.223 28.936 0.287 1
1 893 . 17 1 1 A 76 76 TRP C C 76 178.579 179.075 -0.496 1
1 894 . 17 1 1 A 77 77 GLY N N 77 107.789 107.595 0.194 1
1 895 . 17 1 1 A 77 77 GLY H H 77 8.954 9.093 -0.139 1
1 896 . 17 1 1 A 77 77 GLY CA C 77 47.600 47.491 0.109 1
1 897 . 17 1 1 A 77 77 GLY HA2 H 77 4.122 3.759 0.363 1
1 898 . 17 1 1 A 77 77 GLY HA3 H 77 3.977 3.772 0.205 1
1 899 . 17 1 1 A 77 77 GLY C C 77 176.076 176.450 -0.374 1
1 900 . 17 1 1 A 78 78 HIS N N 78 122.925 120.296 2.629 1
1 901 . 17 1 1 A 78 78 HIS H H 78 8.127 7.862 0.265 1
1 902 . 17 1 1 A 78 78 HIS CA C 78 61.550 58.587 2.963 1
1 903 . 17 1 1 A 78 78 HIS HA H 78 4.206 4.738 -0.532 1
1 904 . 17 1 1 A 78 78 HIS CB C 78 30.794 30.017 0.777 1
1 911 . 17 1 1 A 78 78 HIS C C 78 177.572 178.159 -0.587 1
1 912 . 17 1 1 A 79 79 LEU N N 79 120.009 121.587 -1.578 1
1 913 . 17 1 1 A 79 79 LEU H H 79 8.726 8.167 0.559 1
1 914 . 17 1 1 A 79 79 LEU CA C 79 58.252 57.858 0.394 1
1 915 . 17 1 1 A 79 79 LEU HA H 79 4.227 4.457 -0.230 1
1 916 . 17 1 1 A 79 79 LEU CB C 79 43.075 40.959 2.116 1
1 929 . 17 1 1 A 79 79 LEU C C 79 181.067 178.999 2.068 1
1 930 . 17 1 1 A 80 80 ASN N N 80 119.257 117.322 1.935 1
1 931 . 17 1 1 A 80 80 ASN H H 80 9.270 8.310 0.960 1
1 932 . 17 1 1 A 80 80 ASN CA C 80 57.279 56.005 1.274 1
1 933 . 17 1 1 A 80 80 ASN HA H 80 4.595 4.561 0.034 1
1 934 . 17 1 1 A 80 80 ASN CB C 80 40.403 38.642 1.761 1
1 940 . 17 1 1 A 80 80 ASN C C 80 177.177 176.503 0.674 1
1 941 . 17 1 1 A 81 81 ARG N N 81 115.731 117.008 -1.277 1
1 942 . 17 1 1 A 81 81 ARG H H 81 8.085 7.745 0.340 1
1 943 . 17 1 1 A 81 81 ARG CA C 81 59.249 55.746 3.503 1
1 944 . 17 1 1 A 81 81 ARG HA H 81 4.167 4.614 -0.447 1
1 945 . 17 1 1 A 81 81 ARG CB C 81 31.579 31.006 0.573 1
1 954 . 17 1 1 A 81 81 ARG C C 81 177.890 176.785 1.105 1
1 955 . 17 1 1 A 82 82 LYS N N 82 113.840 117.689 -3.849 1
1 956 . 17 1 1 A 82 82 LYS H H 82 8.691 7.605 1.086 1
1 957 . 17 1 1 A 82 82 LYS CA C 82 56.216 56.607 -0.391 1
1 958 . 17 1 1 A 82 82 LYS HA H 82 4.441 4.477 -0.036 1
1 959 . 17 1 1 A 82 82 LYS CB C 82 32.964 34.281 -1.317 1
1 971 . 17 1 1 A 82 82 LYS C C 82 177.543 177.076 0.467 1
1 972 . 17 1 1 A 83 83 VAL N N 83 117.873 116.890 0.983 1
1 973 . 17 1 1 A 83 83 VAL H H 83 7.786 8.194 -0.408 1
1 974 . 17 1 1 A 83 83 VAL CA C 83 64.939 63.817 1.122 1
1 975 . 17 1 1 A 83 83 VAL HA H 83 4.235 4.240 -0.005 1
1 976 . 17 1 1 A 83 83 VAL CB C 83 34.046 32.708 1.338 1
1 986 . 17 1 1 A 83 83 VAL C C 83 176.945 177.697 -0.752 1
1 987 . 17 1 1 A 84 84 LEU N N 84 118.163 119.910 -1.747 1
1 988 . 17 1 1 A 84 84 LEU H H 84 9.200 8.260 0.940 1
1 989 . 17 1 1 A 84 84 LEU CA C 84 58.824 58.086 0.738 1
1 990 . 17 1 1 A 84 84 LEU HA H 84 3.898 3.929 -0.031 1
1 991 . 17 1 1 A 84 84 LEU CB C 84 38.418 41.876 -3.458 1
1 1004 . 17 1 1 A 84 84 LEU C C 84 179.874 178.929 0.945 1
1 1005 . 17 1 1 A 85 85 LYS N N 85 117.114 119.079 -1.965 1
1 1006 . 17 1 1 A 85 85 LYS H H 85 7.303 7.944 -0.641 1
1 1007 . 17 1 1 A 85 85 LYS CA C 85 59.436 59.844 -0.408 1
1 1008 . 17 1 1 A 85 85 LYS HA H 85 4.191 3.970 0.221 1
1 1009 . 17 1 1 A 85 85 LYS CB C 85 33.096 32.538 0.558 1
1 1021 . 17 1 1 A 85 85 LYS C C 85 180.286 178.941 1.345 1
1 1022 . 17 1 1 A 86 86 ARG N N 86 117.181 118.935 -1.754 1
1 1023 . 17 1 1 A 86 86 ARG H H 86 7.216 7.805 -0.589 1
1 1024 . 17 1 1 A 86 86 ARG CA C 86 57.924 58.842 -0.918 1
1 1025 . 17 1 1 A 86 86 ARG HA H 86 4.191 4.096 0.095 1
1 1026 . 17 1 1 A 86 86 ARG CB C 86 29.848 30.199 -0.351 1
1 1035 . 17 1 1 A 86 86 ARG C C 86 177.047 177.859 -0.812 1
1 1036 . 17 1 1 A 87 87 LEU N N 87 118.282 117.986 0.296 1
1 1037 . 17 1 1 A 87 87 LEU H H 87 7.584 8.160 -0.576 1
1 1038 . 17 1 1 A 87 87 LEU CA C 87 53.603 54.550 -0.947 1
1 1039 . 17 1 1 A 87 87 LEU HA H 87 4.339 4.413 -0.074 1
1 1040 . 17 1 1 A 87 87 LEU CB C 87 42.059 41.918 0.141 1
1 1053 . 17 1 1 A 87 87 LEU C C 87 175.182 175.863 -0.681 1
1 1054 . 17 1 1 A 88 88 ASN N N 88 115.016 114.733 0.283 1
1 1055 . 17 1 1 A 88 88 ASN H H 88 7.932 8.321 -0.389 1
1 1056 . 17 1 1 A 88 88 ASN CA C 88 54.081 54.308 -0.227 1
1 1057 . 17 1 1 A 88 88 ASN HA H 88 4.384 4.398 -0.014 1
1 1058 . 17 1 1 A 88 88 ASN CB C 88 36.809 36.995 -0.186 1
1 1064 . 17 1 1 A 88 88 ASN C C 88 173.426 173.634 -0.208 1
1 1065 . 17 1 1 A 89 89 PHE N N 89 119.795 119.058 0.737 1
1 1066 . 17 1 1 A 89 89 PHE H H 89 7.739 8.046 -0.307 1
1 1067 . 17 1 1 A 89 89 PHE CA C 89 56.231 57.321 -1.090 1
1 1068 . 17 1 1 A 89 89 PHE HA H 89 4.887 4.950 -0.063 1
1 1069 . 17 1 1 A 89 89 PHE CB C 89 43.188 42.097 1.091 1
1 1082 . 17 1 1 A 89 89 PHE C C 89 172.386 173.922 -1.536 1
1 1083 . 17 1 1 A 90 90 SER N N 90 117.020 123.482 -6.462 1
1 1084 . 17 1 1 A 90 90 SER H H 90 7.301 8.213 -0.912 1
1 1085 . 17 1 1 A 90 90 SER CA C 90 56.762 57.242 -0.480 1
1 1086 . 17 1 1 A 90 90 SER HA H 90 4.667 5.406 -0.739 1
1 1087 . 17 1 1 A 90 90 SER CB C 90 64.885 65.766 -0.881 1
1 1090 . 17 1 1 A 90 90 SER C C 90 172.726 173.151 -0.425 1
1 1091 . 17 1 1 A 91 91 VAL N N 91 126.604 124.371 2.233 1
1 1092 . 17 1 1 A 91 91 VAL H H 91 8.959 8.946 0.013 1
1 1093 . 17 1 1 A 91 91 VAL CA C 91 59.173 59.081 0.092 1
1 1094 . 17 1 1 A 91 91 VAL HA H 91 4.336 4.629 -0.293 1
1 1095 . 17 1 1 A 91 91 VAL CB C 91 33.703 35.572 -1.869 1
1 1105 . 17 1 1 A 91 91 VAL C C 91 173.886 173.831 0.055 1
1 1106 . 17 1 1 A 92 92 PRO CA C 92 62.618 62.786 -0.168 1
1 1107 . 17 1 1 A 92 92 PRO HA H 92 4.481 4.696 -0.215 1
1 1108 . 17 1 1 A 92 92 PRO CB C 92 33.302 32.469 0.833 1
1 1117 . 17 1 1 A 92 92 PRO C C 92 177.410 177.568 -0.158 1
1 1118 . 17 1 1 A 93 93 ASP N N 93 123.319 122.984 0.335 1
1 1119 . 17 1 1 A 93 93 ASP H H 93 8.854 8.718 0.136 1
1 1120 . 17 1 1 A 93 93 ASP CA C 93 58.347 57.633 0.714 1
1 1121 . 17 1 1 A 93 93 ASP HA H 93 4.298 4.268 0.030 1
1 1122 . 17 1 1 A 93 93 ASP CB C 93 40.916 40.392 0.524 1
1 1125 . 17 1 1 A 93 93 ASP C C 93 178.221 177.775 0.446 1
1 1126 . 17 1 1 A 94 94 ASP N N 94 116.740 118.840 -2.100 1
1 1127 . 17 1 1 A 94 94 ASP H H 94 8.955 8.049 0.906 1
1 1128 . 17 1 1 A 94 94 ASP CA C 94 56.851 57.376 -0.525 1
1 1129 . 17 1 1 A 94 94 ASP HA H 94 4.222 4.249 -0.027 1
1 1130 . 17 1 1 A 94 94 ASP CB C 94 39.733 40.279 -0.546 1
1 1133 . 17 1 1 A 94 94 ASP C C 94 178.344 178.756 -0.412 1
1 1134 . 17 1 1 A 95 95 VAL N N 95 121.559 119.712 1.847 1
1 1135 . 17 1 1 A 95 95 VAL H H 95 6.935 7.958 -1.023 1
1 1136 . 17 1 1 A 95 95 VAL CA C 95 66.007 66.591 -0.584 1
1 1137 . 17 1 1 A 95 95 VAL HA H 95 3.378 3.519 -0.141 1
1 1138 . 17 1 1 A 95 95 VAL CB C 95 31.712 31.339 0.373 1
1 1148 . 17 1 1 A 95 95 VAL C C 95 177.153 177.602 -0.449 1
1 1149 . 17 1 1 A 96 96 MET N N 96 118.492 117.256 1.236 1
1 1150 . 17 1 1 A 96 96 MET H H 96 7.993 7.840 0.153 1
1 1151 . 17 1 1 A 96 96 MET CA C 96 60.318 58.816 1.502 1
1 1152 . 17 1 1 A 96 96 MET HA H 96 3.037 3.843 -0.806 1
1 1153 . 17 1 1 A 96 96 MET CB C 96 33.348 32.416 0.932 1
1 1163 . 17 1 1 A 96 96 MET C C 96 176.993 178.855 -1.862 1
1 1164 . 17 1 1 A 97 97 ARG N N 97 116.593 118.915 -2.322 1
1 1165 . 17 1 1 A 97 97 ARG H H 97 7.668 8.128 -0.460 1
1 1166 . 17 1 1 A 97 97 ARG CA C 97 60.372 59.776 0.596 1
1 1167 . 17 1 1 A 97 97 ARG HA H 97 3.772 3.949 -0.177 1
1 1168 . 17 1 1 A 97 97 ARG CB C 97 29.627 29.966 -0.339 1
1 1177 . 17 1 1 A 97 97 ARG C C 97 177.718 178.772 -1.054 1
1 1178 . 17 1 1 A 98 98 LYS N N 98 118.000 119.037 -1.037 1
1 1179 . 17 1 1 A 98 98 LYS H H 98 7.279 7.391 -0.112 1
1 1180 . 17 1 1 A 98 98 LYS CA C 98 59.942 59.165 0.777 1
1 1181 . 17 1 1 A 98 98 LYS HA H 98 4.035 4.002 0.033 1
1 1182 . 17 1 1 A 98 98 LYS CB C 98 33.307 32.316 0.991 1
1 1194 . 17 1 1 A 98 98 LYS C C 98 178.861 179.031 -0.170 1
1 1195 . 17 1 1 A 99 99 ILE N N 99 119.736 120.146 -0.410 1
1 1196 . 17 1 1 A 99 99 ILE H H 99 8.298 7.724 0.574 1
1 1197 . 17 1 1 A 99 99 ILE CA C 99 65.451 65.315 0.136 1
1 1198 . 17 1 1 A 99 99 ILE HA H 99 3.473 3.501 -0.028 1
1 1199 . 17 1 1 A 99 99 ILE CB C 99 38.088 37.070 1.018 1
1 1212 . 17 1 1 A 99 99 ILE C C 99 181.472 177.825 3.647 1
1 1213 . 17 1 1 A 100 100 ALA N N 100 124.832 121.164 3.668 1
1 1214 . 17 1 1 A 100 100 ALA H H 100 8.473 7.800 0.673 1
1 1215 . 17 1 1 A 100 100 ALA CA C 100 54.623 54.467 0.156 1
1 1216 . 17 1 1 A 100 100 ALA HA H 100 4.481 4.017 0.464 1
1 1217 . 17 1 1 A 100 100 ALA CB C 100 19.106 18.486 0.620 1
1 1221 . 17 1 1 A 100 100 ALA C C 100 177.755 179.102 -1.347 1
1 1222 . 17 1 1 A 101 101 GLN N N 101 113.891 114.640 -0.749 1
1 1223 . 17 1 1 A 101 101 GLN H H 101 7.665 7.896 -0.231 1
1 1224 . 17 1 1 A 101 101 GLN CA C 101 55.681 55.268 0.413 1
1 1225 . 17 1 1 A 101 101 GLN HA H 101 4.378 4.422 -0.044 1
1 1226 . 17 1 1 A 101 101 GLN CB C 101 28.879 28.623 0.256 1
1 1235 . 17 1 1 A 101 101 GLN C C 101 175.604 175.267 0.337 1
1 1236 . 17 1 1 A 102 102 CYS N N 102 114.274 117.154 -2.880 1
1 1237 . 17 1 1 A 102 102 CYS H H 102 8.300 7.757 0.543 1
1 1238 . 17 1 1 A 102 102 CYS CA C 102 58.700 59.901 -1.201 1
1 1239 . 17 1 1 A 102 102 CYS HA H 102 4.030 4.170 -0.140 1
1 1240 . 17 1 1 A 102 102 CYS CB C 102 24.987 25.545 -0.558 1
1 1243 . 17 1 1 A 102 102 CYS C C 102 174.186 173.883 0.303 1
1 1244 . 17 1 1 A 103 103 ALA N N 103 123.512 124.256 -0.744 1
1 1245 . 17 1 1 A 103 103 ALA H H 103 8.175 7.793 0.382 1
1 1246 . 17 1 1 A 103 103 ALA CA C 103 50.841 49.710 1.131 1
1 1247 . 17 1 1 A 103 103 ALA HA H 103 4.458 4.482 -0.024 1
1 1248 . 17 1 1 A 103 103 ALA CB C 103 18.353 19.892 -1.539 1
1 1252 . 17 1 1 A 103 103 ALA C C 103 175.904 176.153 -0.249 1
1 1253 . 17 1 1 A 104 104 PRO CA C 104 64.290 63.740 0.550 1
1 1254 . 17 1 1 A 104 104 PRO HA H 104 4.315 4.322 -0.007 1
1 1255 . 17 1 1 A 104 104 PRO CB C 104 32.028 31.481 0.547 1
1 1264 . 17 1 1 A 104 104 PRO C C 104 178.173 177.447 0.726 1
1 1265 . 17 1 1 A 105 105 GLY N N 105 113.466 111.623 1.843 1
1 1266 . 17 1 1 A 105 105 GLY H H 105 9.036 8.731 0.305 1
1 1267 . 17 1 1 A 105 105 GLY CA C 105 45.935 45.556 0.379 1
1 1268 . 17 1 1 A 105 105 GLY HA2 H 105 4.044 3.904 0.140 1
1 1269 . 17 1 1 A 105 105 GLY HA3 H 105 3.832 3.918 -0.086 1
1 1270 . 17 1 1 A 105 105 GLY C C 105 174.928 175.983 -1.055 1
1 1271 . 17 1 1 A 106 106 VAL N N 106 117.991 120.893 -2.902 1
1 1272 . 17 1 1 A 106 106 VAL H H 106 6.964 7.932 -0.968 1
1 1273 . 17 1 1 A 106 106 VAL CA C 106 66.071 65.864 0.207 1
1 1274 . 17 1 1 A 106 106 VAL HA H 106 3.842 3.717 0.125 1
1 1275 . 17 1 1 A 106 106 VAL CB C 106 31.337 31.461 -0.124 1
1 1285 . 17 1 1 A 106 106 VAL C C 106 178.061 177.576 0.485 1
1 1286 . 17 1 1 A 107 107 VAL N N 107 121.474 120.117 1.357 1
1 1287 . 17 1 1 A 107 107 VAL H H 107 9.039 8.185 0.854 1
1 1288 . 17 1 1 A 107 107 VAL CA C 107 65.971 64.943 1.028 1
1 1289 . 17 1 1 A 107 107 VAL HA H 107 3.743 3.597 0.146 1
1 1290 . 17 1 1 A 107 107 VAL CB C 107 30.959 30.920 0.039 1
1 1300 . 17 1 1 A 107 107 VAL C C 107 177.629 177.506 0.123 1
1 1301 . 17 1 1 A 108 108 GLU N N 108 126.242 122.347 3.895 1
1 1302 . 17 1 1 A 108 108 GLU H H 108 11.107 8.210 2.897 1
1 1303 . 17 1 1 A 108 108 GLU CA C 108 62.429 59.383 3.046 1
1 1304 . 17 1 1 A 108 108 GLU HA H 108 3.584 4.018 -0.434 1
1 1305 . 17 1 1 A 108 108 GLU CB C 108 28.863 29.202 -0.339 1
1 1311 . 17 1 1 A 108 108 GLU C C 108 176.878 179.349 -2.471 1
1 1312 . 17 1 1 A 109 109 LEU N N 109 114.111 119.954 -5.843 1
1 1313 . 17 1 1 A 109 109 LEU H H 109 7.474 7.872 -0.398 1
1 1314 . 17 1 1 A 109 109 LEU CA C 109 56.293 57.901 -1.608 1
1 1315 . 17 1 1 A 109 109 LEU HA H 109 4.024 4.037 -0.013 1
1 1316 . 17 1 1 A 109 109 LEU CB C 109 40.846 41.695 -0.849 1
1 1329 . 17 1 1 A 109 109 LEU C C 109 178.647 178.605 0.042 1
1 1330 . 17 1 1 A 110 110 VAL N N 110 116.984 119.187 -2.203 1
1 1331 . 17 1 1 A 110 110 VAL H H 110 7.557 7.393 0.164 1
1 1332 . 17 1 1 A 110 110 VAL CA C 110 64.274 64.991 -0.717 1
1 1333 . 17 1 1 A 110 110 VAL HA H 110 4.206 4.004 0.202 1
1 1334 . 17 1 1 A 110 110 VAL CB C 110 33.070 31.876 1.194 1
1 1344 . 17 1 1 A 110 110 VAL C C 110 176.435 177.945 -1.510 1
1 1345 . 17 1 1 A 111 111 LEU N N 111 118.461 120.658 -2.197 1
1 1346 . 17 1 1 A 111 111 LEU H H 111 8.453 7.977 0.476 1
1 1347 . 17 1 1 A 111 111 LEU CA C 111 58.047 57.795 0.252 1
1 1348 . 17 1 1 A 111 111 LEU HA H 111 4.003 4.115 -0.112 1
1 1349 . 17 1 1 A 111 111 LEU CB C 111 43.552 41.481 2.071 1
1 1362 . 17 1 1 A 111 111 LEU C C 111 177.274 179.220 -1.946 1
1 1363 . 17 1 1 A 112 112 ILE N N 112 115.835 119.655 -3.820 1
1 1364 . 17 1 1 A 112 112 ILE H H 112 7.850 8.200 -0.350 1
1 1365 . 17 1 1 A 112 112 ILE CA C 112 67.843 66.486 1.357 1
1 1366 . 17 1 1 A 112 112 ILE HA H 112 3.636 3.597 0.039 1
1 1367 . 17 1 1 A 112 112 ILE CB C 112 36.504 36.014 0.490 1
1 1380 . 17 1 1 A 112 112 ILE C C 112 176.487 175.194 1.293 1
1 1381 . 17 1 1 A 113 113 PRO CA C 113 64.872 65.330 -0.458 1
1 1382 . 17 1 1 A 113 113 PRO HA H 113 4.420 4.356 0.064 1
1 1383 . 17 1 1 A 113 113 PRO CB C 113 30.348 31.134 -0.786 1
1 1392 . 17 1 1 A 113 113 PRO C C 113 179.001 178.914 0.087 1
1 1393 . 17 1 1 A 114 114 LEU N N 114 120.690 117.996 2.694 1
1 1394 . 17 1 1 A 114 114 LEU H H 114 7.672 7.474 0.198 1
1 1395 . 17 1 1 A 114 114 LEU CA C 114 58.337 57.745 0.592 1
1 1396 . 17 1 1 A 114 114 LEU HA H 114 3.490 3.873 -0.383 1
1 1397 . 17 1 1 A 114 114 LEU CB C 114 41.840 42.029 -0.189 1
1 1410 . 17 1 1 A 114 114 LEU C C 114 177.486 178.203 -0.717 1
1 1411 . 17 1 1 A 115 115 ARG N N 115 119.039 117.683 1.356 1
1 1412 . 17 1 1 A 115 115 ARG H H 115 8.159 7.731 0.428 1
1 1413 . 17 1 1 A 115 115 ARG CA C 115 60.199 58.600 1.599 1
1 1414 . 17 1 1 A 115 115 ARG HA H 115 3.215 3.880 -0.665 1
1 1415 . 17 1 1 A 115 115 ARG CB C 115 28.049 29.724 -1.675 1
1 1426 . 17 1 1 A 115 115 ARG C C 115 177.460 177.985 -0.525 1
1 1427 . 17 1 1 A 116 116 GLN N N 116 115.221 119.159 -3.938 1
1 1428 . 17 1 1 A 116 116 GLN H H 116 6.825 7.563 -0.738 1
1 1429 . 17 1 1 A 116 116 GLN CA C 116 58.838 59.126 -0.288 1
1 1430 . 17 1 1 A 116 116 GLN HA H 116 3.830 3.844 -0.014 1
1 1431 . 17 1 1 A 116 116 GLN CB C 116 27.871 28.093 -0.222 1
1 1440 . 17 1 1 A 116 116 GLN C C 116 178.648 178.757 -0.109 1
1 1441 . 17 1 1 A 117 117 ARG N N 117 118.476 119.780 -1.304 1
1 1442 . 17 1 1 A 117 117 ARG H H 117 8.028 7.767 0.261 1
1 1443 . 17 1 1 A 117 117 ARG CA C 117 57.607 59.028 -1.421 1
1 1444 . 17 1 1 A 117 117 ARG HA H 117 4.117 4.105 0.012 1
1 1445 . 17 1 1 A 117 117 ARG CB C 117 30.040 29.970 0.070 1
1 1454 . 17 1 1 A 117 117 ARG C C 117 179.370 178.288 1.082 1
1 1455 . 17 1 1 A 118 118 LEU N N 118 120.407 120.199 0.208 1
1 1456 . 17 1 1 A 118 118 LEU H H 118 8.533 8.030 0.503 1
1 1457 . 17 1 1 A 118 118 LEU CA C 118 58.295 57.478 0.817 1
1 1458 . 17 1 1 A 118 118 LEU HA H 118 3.950 4.024 -0.074 1
1 1459 . 17 1 1 A 118 118 LEU CB C 118 40.472 40.844 -0.372 1
1 1472 . 17 1 1 A 118 118 LEU C C 118 178.577 178.940 -0.363 1
1 1473 . 17 1 1 A 119 119 GLU N N 119 116.858 117.504 -0.646 1
1 1474 . 17 1 1 A 119 119 GLU H H 119 8.220 8.283 -0.063 1
1 1475 . 17 1 1 A 119 119 GLU CA C 119 59.441 59.422 0.019 1
1 1476 . 17 1 1 A 119 119 GLU HA H 119 4.047 4.206 -0.159 1
1 1477 . 17 1 1 A 119 119 GLU CB C 119 29.271 29.264 0.007 1
1 1483 . 17 1 1 A 119 119 GLU C C 119 179.631 179.051 0.580 1
1 1484 . 17 1 1 A 120 120 GLU N N 120 119.797 119.680 0.117 1
1 1485 . 17 1 1 A 120 120 GLU H H 120 8.199 8.435 -0.236 1
1 1486 . 17 1 1 A 120 120 GLU CA C 120 59.223 59.855 -0.632 1
1 1487 . 17 1 1 A 120 120 GLU HA H 120 4.062 4.051 0.011 1
1 1488 . 17 1 1 A 120 120 GLU CB C 120 29.562 29.258 0.304 1
1 1494 . 17 1 1 A 120 120 GLU C C 120 178.823 179.151 -0.328 1
1 1495 . 17 1 1 A 121 121 ARG N N 121 118.760 118.810 -0.050 1
1 1496 . 17 1 1 A 121 121 ARG H H 121 7.928 8.061 -0.133 1
1 1497 . 17 1 1 A 121 121 ARG CA C 121 58.065 59.640 -1.575 1
1 1498 . 17 1 1 A 121 121 ARG HA H 121 4.136 4.252 -0.116 1
1 1499 . 17 1 1 A 121 121 ARG CB C 121 29.478 30.613 -1.135 1
1 1508 . 17 1 1 A 121 121 ARG C C 121 178.426 178.548 -0.122 1
1 1509 . 17 1 1 A 122 122 GLN N N 122 119.430 119.324 0.106 1
1 1510 . 17 1 1 A 122 122 GLN H H 122 8.323 8.080 0.243 1
1 1511 . 17 1 1 A 122 122 GLN CA C 122 58.489 59.236 -0.747 1
1 1512 . 17 1 1 A 122 122 GLN HA H 122 4.352 4.094 0.258 1
1 1513 . 17 1 1 A 122 122 GLN CB C 122 29.611 29.005 0.606 1
1 1522 . 17 1 1 A 122 122 GLN C C 122 177.291 175.858 1.433 1
1 1523 . 17 1 1 A 123 123 ARG N N 123 118.341 117.461 0.880 1
1 1524 . 17 1 1 A 123 123 ARG H H 123 7.920 7.388 0.532 1
1 1525 . 17 1 1 A 123 123 ARG CA C 123 57.695 56.260 1.435 1
1 1526 . 17 1 1 A 123 123 ARG HA H 123 4.266 4.349 -0.083 1
1 1527 . 17 1 1 A 123 123 ARG CB C 123 30.671 31.047 -0.376 1
1 1536 . 17 1 1 A 123 123 ARG C C 123 177.214 175.833 1.381 1
1 1537 . 17 1 1 A 124 124 ARG N N 124 119.452 118.756 0.696 1
1 1538 . 17 1 1 A 124 124 ARG H H 124 7.850 8.822 -0.972 1
1 1539 . 17 1 1 A 124 124 ARG CA C 124 56.814 54.135 2.679 1
1 1540 . 17 1 1 A 124 124 ARG HA H 124 4.300 4.919 -0.619 1
1 1541 . 17 1 1 A 124 124 ARG CB C 124 30.672 34.798 -4.126 1
1 1550 . 17 1 1 A 124 124 ARG C C 124 176.540 175.578 0.962 1
1 1551 . 17 1 1 A 125 125 ARG N N 125 120.963 121.034 -0.071 1
1 1552 . 17 1 1 A 125 125 ARG H H 125 8.081 8.307 -0.226 1
1 1553 . 17 1 1 A 125 125 ARG CA C 125 56.514 56.891 -0.377 1
1 1554 . 17 1 1 A 125 125 ARG HA H 125 4.355 4.469 -0.114 1
1 1555 . 17 1 1 A 125 125 ARG CB C 125 30.694 31.240 -0.546 1
1 1564 . 17 1 1 A 125 125 ARG C C 125 176.133 175.504 0.629 1
1 1565 . 17 1 1 A 126 126 LYS N N 126 122.811 120.365 2.446 1
1 1566 . 17 1 1 A 126 126 LYS H H 126 8.252 8.772 -0.520 1
1 1567 . 17 1 1 A 126 126 LYS CA C 126 56.430 54.428 2.002 1
1 1568 . 17 1 1 A 126 126 LYS HA H 126 4.351 4.791 -0.440 1
1 1569 . 17 1 1 A 126 126 LYS CB C 126 33.017 35.792 -2.775 1
1 1581 . 17 1 1 A 126 126 LYS C C 126 175.649 176.377 -0.728 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.715 61.224 -2.509 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.472 4.224 0.248 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.934 63.063 0.871 1
1 6 . 18 1 1 A 6 6 SER C C 6 174.927 175.708 -0.781 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.435 109.455 0.980 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.348 7.745 0.603 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.364 44.337 1.027 1
1 10 . 18 1 1 A 7 7 GLY HA2 H 7 3.919 4.069 -0.150 1
1 11 . 18 1 1 A 7 7 GLY HA3 H 7 3.919 4.069 -0.150 1
1 12 . 18 1 1 A 7 7 GLY C C 7 173.952 173.000 0.952 1
1 13 . 18 1 1 A 8 8 MET N N 8 119.481 117.455 2.026 1
1 14 . 18 1 1 A 8 8 MET H H 8 8.163 8.434 -0.271 1
1 15 . 18 1 1 A 8 8 MET CA C 8 55.472 53.203 2.269 1
1 16 . 18 1 1 A 8 8 MET HA H 8 4.486 5.286 -0.800 1
1 17 . 18 1 1 A 8 8 MET CB C 8 33.598 36.890 -3.292 1
1 27 . 18 1 1 A 8 8 MET C C 8 176.019 173.951 2.068 1
1 28 . 18 1 1 A 9 9 ALA N N 9 125.433 122.181 3.252 1
1 29 . 18 1 1 A 9 9 ALA H H 9 8.436 8.773 -0.337 1
1 30 . 18 1 1 A 9 9 ALA CA C 9 52.481 50.745 1.736 1
1 31 . 18 1 1 A 9 9 ALA HA H 9 4.381 5.229 -0.848 1
1 32 . 18 1 1 A 9 9 ALA CB C 9 19.322 24.029 -4.707 1
1 36 . 18 1 1 A 9 9 ALA C C 9 177.349 175.382 1.967 1
1 37 . 18 1 1 A 10 10 SER N N 10 114.383 114.957 -0.574 1
1 38 . 18 1 1 A 10 10 SER H H 10 8.372 8.750 -0.378 1
1 39 . 18 1 1 A 10 10 SER CA C 10 58.607 57.053 1.554 1
1 40 . 18 1 1 A 10 10 SER HA H 10 4.470 5.244 -0.774 1
1 41 . 18 1 1 A 10 10 SER CB C 10 63.979 65.136 -1.157 1
1 44 . 18 1 1 A 10 10 SER C C 10 174.323 172.864 1.459 1
1 45 . 18 1 1 A 11 11 SER N N 11 116.549 120.685 -4.136 1
1 46 . 18 1 1 A 11 11 SER H H 11 8.111 8.671 -0.560 1
1 47 . 18 1 1 A 11 11 SER CA C 11 58.189 57.686 0.503 1
1 48 . 18 1 1 A 11 11 SER HA H 11 4.487 4.787 -0.300 1
1 49 . 18 1 1 A 11 11 SER CB C 11 64.081 67.358 -3.277 1
1 52 . 18 1 1 A 11 11 SER C C 11 173.692 173.518 0.174 1
1 53 . 18 1 1 A 12 12 VAL N N 12 120.502 118.003 2.499 1
1 54 . 18 1 1 A 12 12 VAL H H 12 8.207 8.545 -0.338 1
1 55 . 18 1 1 A 12 12 VAL CA C 12 61.847 63.327 -1.480 1
1 56 . 18 1 1 A 12 12 VAL HA H 12 4.150 3.675 0.475 1
1 57 . 18 1 1 A 12 12 VAL CB C 12 33.269 29.488 3.781 1
1 67 . 18 1 1 A 12 12 VAL C C 12 174.930 174.958 -0.028 1
1 68 . 18 1 1 A 13 13 ASP N N 13 124.104 120.423 3.681 1
1 69 . 18 1 1 A 13 13 ASP H H 13 7.953 7.959 -0.006 1
1 70 . 18 1 1 A 13 13 ASP CA C 13 53.249 54.187 -0.938 1
1 71 . 18 1 1 A 13 13 ASP HA H 13 4.661 4.649 0.012 1
1 72 . 18 1 1 A 13 13 ASP CB C 13 41.891 42.091 -0.200 1
1 75 . 18 1 1 A 13 13 ASP C C 13 176.009 177.335 -1.326 1
1 76 . 18 1 1 A 14 14 GLU N N 14 120.197 121.519 -1.322 1
1 77 . 18 1 1 A 14 14 GLU H H 14 8.568 8.877 -0.309 1
1 78 . 18 1 1 A 14 14 GLU CA C 14 59.932 59.759 0.173 1
1 79 . 18 1 1 A 14 14 GLU HA H 14 3.944 3.938 0.006 1
1 80 . 18 1 1 A 14 14 GLU CB C 14 29.670 29.381 0.289 1
1 86 . 18 1 1 A 14 14 GLU C C 14 178.863 178.753 0.110 1
1 87 . 18 1 1 A 15 15 GLU N N 15 120.713 119.955 0.758 1
1 88 . 18 1 1 A 15 15 GLU H H 15 8.312 8.359 -0.047 1
1 89 . 18 1 1 A 15 15 GLU CA C 15 59.101 59.606 -0.505 1
1 90 . 18 1 1 A 15 15 GLU HA H 15 4.244 4.050 0.194 1
1 91 . 18 1 1 A 15 15 GLU CB C 15 28.917 29.378 -0.461 1
1 97 . 18 1 1 A 15 15 GLU C C 15 178.511 178.688 -0.177 1
1 98 . 18 1 1 A 16 16 ALA N N 16 123.041 121.478 1.563 1
1 99 . 18 1 1 A 16 16 ALA H H 16 8.047 7.810 0.237 1
1 100 . 18 1 1 A 16 16 ALA CA C 16 54.830 55.284 -0.454 1
1 101 . 18 1 1 A 16 16 ALA HA H 16 4.093 4.143 -0.050 1
1 102 . 18 1 1 A 16 16 ALA CB C 16 18.371 18.094 0.277 1
1 106 . 18 1 1 A 16 16 ALA C C 16 181.428 180.172 1.256 1
1 107 . 18 1 1 A 17 17 LEU N N 17 119.436 118.678 0.758 1
1 108 . 18 1 1 A 17 17 LEU H H 17 8.042 8.107 -0.065 1
1 109 . 18 1 1 A 17 17 LEU CA C 17 57.623 58.073 -0.450 1
1 110 . 18 1 1 A 17 17 LEU HA H 17 3.838 3.978 -0.140 1
1 111 . 18 1 1 A 17 17 LEU CB C 17 41.323 42.159 -0.836 1
1 124 . 18 1 1 A 17 17 LEU C C 17 177.590 179.008 -1.418 1
1 125 . 18 1 1 A 18 18 HIS N N 18 118.394 117.732 0.662 1
1 126 . 18 1 1 A 18 18 HIS H H 18 8.182 8.572 -0.390 1
1 127 . 18 1 1 A 18 18 HIS CA C 18 59.415 60.047 -0.632 1
1 128 . 18 1 1 A 18 18 HIS HA H 18 4.435 3.964 0.471 1
1 129 . 18 1 1 A 18 18 HIS CB C 18 29.560 29.856 -0.296 1
1 136 . 18 1 1 A 18 18 HIS C C 18 178.114 176.592 1.522 1
1 137 . 18 1 1 A 19 19 GLN N N 19 115.623 116.808 -1.185 1
1 138 . 18 1 1 A 19 19 GLN H H 19 8.178 7.882 0.296 1
1 139 . 18 1 1 A 19 19 GLN CA C 19 58.406 59.134 -0.728 1
1 140 . 18 1 1 A 19 19 GLN HA H 19 3.904 3.704 0.200 1
1 141 . 18 1 1 A 19 19 GLN CB C 19 28.118 28.296 -0.178 1
1 150 . 18 1 1 A 19 19 GLN C C 19 179.132 178.622 0.510 1
1 151 . 18 1 1 A 20 20 LEU N N 20 122.817 121.612 1.205 1
1 152 . 18 1 1 A 20 20 LEU H H 20 7.949 8.300 -0.351 1
1 153 . 18 1 1 A 20 20 LEU CA C 20 58.278 58.142 0.136 1
1 154 . 18 1 1 A 20 20 LEU HA H 20 4.233 4.188 0.045 1
1 155 . 18 1 1 A 20 20 LEU CB C 20 40.850 41.964 -1.114 1
1 168 . 18 1 1 A 20 20 LEU C C 20 178.466 178.588 -0.122 1
1 169 . 18 1 1 A 21 21 TYR N N 21 118.825 118.804 0.021 1
1 170 . 18 1 1 A 21 21 TYR H H 21 8.376 8.298 0.078 1
1 171 . 18 1 1 A 21 21 TYR CA C 21 60.605 60.696 -0.091 1
1 172 . 18 1 1 A 21 21 TYR HA H 21 4.286 4.312 -0.026 1
1 173 . 18 1 1 A 21 21 TYR CB C 21 36.667 37.935 -1.268 1
1 184 . 18 1 1 A 21 21 TYR C C 21 178.654 178.168 0.486 1
1 185 . 18 1 1 A 22 22 LEU N N 22 118.954 119.750 -0.796 1
1 186 . 18 1 1 A 22 22 LEU H H 22 7.869 8.389 -0.520 1
1 187 . 18 1 1 A 22 22 LEU CA C 22 57.887 58.136 -0.249 1
1 188 . 18 1 1 A 22 22 LEU HA H 22 4.076 3.870 0.206 1
1 189 . 18 1 1 A 22 22 LEU CB C 22 42.250 42.071 0.179 1
1 202 . 18 1 1 A 22 22 LEU C C 22 178.877 178.888 -0.011 1
1 203 . 18 1 1 A 23 23 TRP N N 23 120.668 120.106 0.562 1
1 204 . 18 1 1 A 23 23 TRP H H 23 7.804 7.902 -0.098 1
1 205 . 18 1 1 A 23 23 TRP CA C 23 60.711 61.425 -0.714 1
1 206 . 18 1 1 A 23 23 TRP HA H 23 4.436 4.232 0.204 1
1 207 . 18 1 1 A 23 23 TRP CB C 23 28.035 30.028 -1.993 1
1 222 . 18 1 1 A 23 23 TRP C C 23 178.471 177.759 0.712 1
1 223 . 18 1 1 A 24 24 VAL N N 24 116.831 119.346 -2.515 1
1 224 . 18 1 1 A 24 24 VAL H H 24 8.503 8.063 0.440 1
1 225 . 18 1 1 A 24 24 VAL CA C 24 66.014 66.412 -0.398 1
1 226 . 18 1 1 A 24 24 VAL HA H 24 3.084 2.837 0.247 1
1 227 . 18 1 1 A 24 24 VAL CB C 24 31.826 31.369 0.457 1
1 237 . 18 1 1 A 24 24 VAL C C 24 178.212 177.480 0.732 1
1 238 . 18 1 1 A 25 25 ASP N N 25 117.894 120.106 -2.212 1
1 239 . 18 1 1 A 25 25 ASP H H 25 8.140 7.887 0.253 1
1 240 . 18 1 1 A 25 25 ASP CA C 25 57.043 57.524 -0.481 1
1 241 . 18 1 1 A 25 25 ASP HA H 25 4.290 4.209 0.081 1
1 242 . 18 1 1 A 25 25 ASP CB C 25 41.067 41.331 -0.264 1
1 245 . 18 1 1 A 25 25 ASP C C 25 177.163 177.778 -0.615 1
1 246 . 18 1 1 A 26 26 ASN N N 26 114.914 117.177 -2.263 1
1 247 . 18 1 1 A 26 26 ASN H H 26 7.229 8.071 -0.842 1
1 248 . 18 1 1 A 26 26 ASN CA C 26 53.375 56.641 -3.266 1
1 249 . 18 1 1 A 26 26 ASN HA H 26 4.607 4.422 0.185 1
1 250 . 18 1 1 A 26 26 ASN CB C 26 40.048 38.881 1.167 1
1 256 . 18 1 1 A 26 26 ASN C C 26 174.227 176.047 -1.820 1
1 257 . 18 1 1 A 27 27 ILE N N 27 123.268 119.277 3.991 1
1 258 . 18 1 1 A 27 27 ILE H H 27 7.212 7.071 0.141 1
1 259 . 18 1 1 A 27 27 ILE CA C 27 58.327 59.926 -1.599 1
1 260 . 18 1 1 A 27 27 ILE HA H 27 3.628 3.952 -0.324 1
1 261 . 18 1 1 A 27 27 ILE CB C 27 39.403 38.108 1.295 1
1 274 . 18 1 1 A 27 27 ILE C C 27 173.764 174.457 -0.693 1
1 275 . 18 1 1 A 28 28 PRO CA C 28 62.584 62.483 0.101 1
1 276 . 18 1 1 A 28 28 PRO HA H 28 4.354 4.676 -0.322 1
1 277 . 18 1 1 A 28 28 PRO CB C 28 30.056 31.656 -1.600 1
1 286 . 18 1 1 A 28 28 PRO C C 28 175.419 175.804 -0.385 1
1 287 . 18 1 1 A 29 29 LEU N N 29 125.355 125.347 0.008 1
1 288 . 18 1 1 A 29 29 LEU H H 29 8.118 8.678 -0.560 1
1 289 . 18 1 1 A 29 29 LEU CA C 29 53.358 53.434 -0.076 1
1 290 . 18 1 1 A 29 29 LEU HA H 29 4.748 4.730 0.018 1
1 291 . 18 1 1 A 29 29 LEU CB C 29 45.279 44.398 0.881 1
1 304 . 18 1 1 A 29 29 LEU C C 29 178.577 176.059 2.518 1
1 305 . 18 1 1 A 31 31 ARG CA C 31 53.250 54.755 -1.505 1
1 306 . 18 1 1 A 31 31 ARG HA H 31 4.787 4.789 -0.002 1
1 307 . 18 1 1 A 31 31 ARG CB C 31 32.107 32.795 -0.688 1
1 316 . 18 1 1 A 32 32 PRO CA C 32 62.865 63.719 -0.854 1
1 317 . 18 1 1 A 32 32 PRO HA H 32 4.300 4.432 -0.132 1
1 318 . 18 1 1 A 32 32 PRO CB C 32 32.193 32.020 0.173 1
1 327 . 18 1 1 A 33 33 LYS CA C 33 56.154 57.100 -0.946 1
1 328 . 18 1 1 A 33 33 LYS HA H 33 4.361 4.171 0.190 1
1 329 . 18 1 1 A 33 33 LYS CB C 33 32.368 30.123 2.245 1
1 341 . 18 1 1 A 34 34 ARG N N 34 122.768 120.608 2.160 1
1 342 . 18 1 1 A 34 34 ARG H H 34 8.410 8.104 0.306 1
1 343 . 18 1 1 A 34 34 ARG HA H 34 4.336 4.156 0.180 1
1 344 . 18 1 1 A 34 34 ARG CB C 34 31.894 29.905 1.989 1
1 349 . 18 1 1 A 35 35 ASN CA C 35 53.153 52.247 0.906 1
1 350 . 18 1 1 A 35 35 ASN HA H 35 4.771 5.092 -0.321 1
1 351 . 18 1 1 A 35 35 ASN CB C 35 39.425 41.766 -2.341 1
1 357 . 18 1 1 A 36 36 LEU N N 36 110.943 128.690 -17.747 1
1 358 . 18 1 1 A 36 36 LEU H H 36 8.305 8.741 -0.436 1
1 359 . 18 1 1 A 36 36 LEU CA C 36 60.191 58.197 1.994 1
1 360 . 18 1 1 A 36 36 LEU HA H 36 4.140 4.253 -0.113 1
1 361 . 18 1 1 A 36 36 LEU CB C 36 41.876 41.604 0.272 1
1 374 . 18 1 1 A 37 37 SER CA C 37 61.673 61.354 0.319 1
1 375 . 18 1 1 A 37 37 SER HA H 37 4.080 4.253 -0.173 1
1 376 . 18 1 1 A 37 37 SER CB C 37 62.700 62.936 -0.236 1
1 379 . 18 1 1 A 38 38 ARG N N 38 119.288 121.856 -2.568 1
1 380 . 18 1 1 A 38 38 ARG H H 38 7.773 7.799 -0.026 1
1 381 . 18 1 1 A 38 38 ARG HA H 38 4.587 4.129 0.458 1
1 384 . 18 1 1 A 39 39 ASP N N 39 121.607 119.540 2.067 1
1 385 . 18 1 1 A 39 39 ASP H H 39 9.487 8.376 1.111 1
1 386 . 18 1 1 A 39 39 ASP CA C 39 58.026 57.133 0.893 1
1 387 . 18 1 1 A 39 39 ASP HA H 39 4.518 4.302 0.216 1
1 388 . 18 1 1 A 39 39 ASP CB C 39 40.039 40.884 -0.845 1
1 391 . 18 1 1 A 40 40 PHE N N 40 115.310 117.924 -2.614 1
1 392 . 18 1 1 A 40 40 PHE H H 40 8.300 8.348 -0.048 1
1 393 . 18 1 1 A 40 40 PHE CA C 40 59.420 60.615 -1.195 1
1 394 . 18 1 1 A 40 40 PHE HA H 40 4.605 4.308 0.297 1
1 395 . 18 1 1 A 40 40 PHE CB C 40 39.030 38.419 0.611 1
1 408 . 18 1 1 A 41 41 SER N N 41 115.417 114.990 0.427 1
1 409 . 18 1 1 A 41 41 SER H H 41 7.441 8.400 -0.959 1
1 410 . 18 1 1 A 41 41 SER CA C 41 62.290 61.541 0.749 1
1 411 . 18 1 1 A 41 41 SER HA H 41 4.341 4.327 0.014 1
1 412 . 18 1 1 A 41 41 SER CB C 41 64.510 63.142 1.368 1
1 415 . 18 1 1 A 42 42 ASP N N 42 117.563 118.330 -0.767 1
1 416 . 18 1 1 A 42 42 ASP H H 42 8.726 7.623 1.103 1
1 417 . 18 1 1 A 42 42 ASP CA C 42 53.746 53.693 0.053 1
1 418 . 18 1 1 A 42 42 ASP HA H 42 4.780 4.846 -0.066 1
1 419 . 18 1 1 A 42 42 ASP CB C 42 42.695 38.964 3.731 1
1 422 . 18 1 1 A 42 42 ASP C C 42 176.013 176.434 -0.421 1
1 423 . 18 1 1 A 43 43 GLY N N 43 106.643 111.146 -4.503 1
1 424 . 18 1 1 A 43 43 GLY H H 43 7.388 8.081 -0.693 1
1 425 . 18 1 1 A 43 43 GLY CA C 43 45.230 46.951 -1.721 1
1 426 . 18 1 1 A 43 43 GLY HA2 H 43 3.131 3.124 0.007 1
1 427 . 18 1 1 A 43 43 GLY HA3 H 43 2.588 3.316 -0.728 1
1 428 . 18 1 1 A 43 43 GLY C C 43 173.476 175.527 -2.051 1
1 429 . 18 1 1 A 44 44 VAL N N 44 121.300 121.962 -0.662 1
1 430 . 18 1 1 A 44 44 VAL H H 44 7.874 7.866 0.008 1
1 431 . 18 1 1 A 44 44 VAL CA C 44 67.198 65.935 1.263 1
1 432 . 18 1 1 A 44 44 VAL HA H 44 3.018 3.422 -0.404 1
1 433 . 18 1 1 A 44 44 VAL CB C 44 31.139 31.618 -0.479 1
1 443 . 18 1 1 A 44 44 VAL C C 44 177.853 178.238 -0.385 1
1 444 . 18 1 1 A 45 45 LEU N N 45 114.495 120.550 -6.055 1
1 445 . 18 1 1 A 45 45 LEU H H 45 8.945 8.476 0.469 1
1 446 . 18 1 1 A 45 45 LEU CA C 45 57.466 57.797 -0.331 1
1 447 . 18 1 1 A 45 45 LEU HA H 45 3.838 3.912 -0.074 1
1 448 . 18 1 1 A 45 45 LEU CB C 45 40.503 41.423 -0.920 1
1 461 . 18 1 1 A 45 45 LEU C C 45 179.257 178.500 0.757 1
1 462 . 18 1 1 A 46 46 VAL N N 46 118.354 119.213 -0.859 1
1 463 . 18 1 1 A 46 46 VAL H H 46 7.422 7.618 -0.196 1
1 464 . 18 1 1 A 46 46 VAL CA C 46 67.288 66.766 0.522 1
1 465 . 18 1 1 A 46 46 VAL HA H 46 3.469 3.428 0.041 1
1 466 . 18 1 1 A 46 46 VAL CB C 46 30.173 31.474 -1.301 1
1 476 . 18 1 1 A 46 46 VAL C C 46 176.954 177.676 -0.722 1
1 477 . 18 1 1 A 47 47 ALA N N 47 121.963 121.484 0.479 1
1 478 . 18 1 1 A 47 47 ALA H H 47 7.272 7.965 -0.693 1
1 479 . 18 1 1 A 47 47 ALA CA C 47 55.991 55.603 0.388 1
1 480 . 18 1 1 A 47 47 ALA HA H 47 3.576 3.994 -0.418 1
1 481 . 18 1 1 A 47 47 ALA CB C 47 17.292 18.465 -1.173 1
1 485 . 18 1 1 A 47 47 ALA C C 47 178.880 180.161 -1.281 1
1 486 . 18 1 1 A 48 48 GLU N N 48 116.763 118.219 -1.456 1
1 487 . 18 1 1 A 48 48 GLU H H 48 8.081 8.182 -0.101 1
1 488 . 18 1 1 A 48 48 GLU CA C 48 60.605 59.502 1.103 1
1 489 . 18 1 1 A 48 48 GLU HA H 48 3.851 3.991 -0.140 1
1 490 . 18 1 1 A 48 48 GLU CB C 48 30.467 29.314 1.153 1
1 496 . 18 1 1 A 48 48 GLU C C 48 180.175 179.480 0.695 1
1 497 . 18 1 1 A 49 49 VAL N N 49 122.024 120.139 1.885 1
1 498 . 18 1 1 A 49 49 VAL H H 49 8.325 7.928 0.397 1
1 499 . 18 1 1 A 49 49 VAL CA C 49 67.146 66.661 0.485 1
1 500 . 18 1 1 A 49 49 VAL HA H 49 3.530 3.564 -0.034 1
1 501 . 18 1 1 A 49 49 VAL CB C 49 31.543 31.660 -0.117 1
1 511 . 18 1 1 A 49 49 VAL C C 49 177.168 178.282 -1.114 1
1 512 . 18 1 1 A 50 50 ILE N N 50 117.821 119.772 -1.951 1
1 513 . 18 1 1 A 50 50 ILE H H 50 7.947 7.781 0.166 1
1 514 . 18 1 1 A 50 50 ILE CA C 50 66.217 65.964 0.253 1
1 515 . 18 1 1 A 50 50 ILE HA H 50 3.757 3.786 -0.029 1
1 516 . 18 1 1 A 50 50 ILE CB C 50 37.952 37.977 -0.025 1
1 529 . 18 1 1 A 50 50 ILE C C 50 177.890 177.892 -0.002 1
1 530 . 18 1 1 A 51 51 LYS N N 51 121.589 120.998 0.591 1
1 531 . 18 1 1 A 51 51 LYS H H 51 8.790 8.152 0.638 1
1 532 . 18 1 1 A 51 51 LYS CA C 51 58.277 59.773 -1.496 1
1 533 . 18 1 1 A 51 51 LYS HA H 51 3.816 4.219 -0.403 1
1 534 . 18 1 1 A 51 51 LYS CB C 51 32.898 32.579 0.319 1
1 546 . 18 1 1 A 51 51 LYS C C 51 176.668 178.640 -1.972 1
1 547 . 18 1 1 A 52 52 PHE N N 52 117.622 119.981 -2.359 1
1 548 . 18 1 1 A 52 52 PHE H H 52 7.768 7.932 -0.164 1
1 549 . 18 1 1 A 52 52 PHE CA C 52 60.585 61.322 -0.737 1
1 550 . 18 1 1 A 52 52 PHE HA H 52 4.090 3.986 0.104 1
1 551 . 18 1 1 A 52 52 PHE CB C 52 38.775 39.192 -0.417 1
1 564 . 18 1 1 A 52 52 PHE C C 52 176.831 176.814 0.017 1
1 565 . 18 1 1 A 53 53 TYR N N 53 115.876 116.608 -0.732 1
1 566 . 18 1 1 A 53 53 TYR H H 53 7.346 8.317 -0.971 1
1 567 . 18 1 1 A 53 53 TYR CA C 53 61.264 59.948 1.316 1
1 568 . 18 1 1 A 53 53 TYR HA H 53 3.697 4.196 -0.499 1
1 569 . 18 1 1 A 53 53 TYR CB C 53 41.522 38.991 2.531 1
1 580 . 18 1 1 A 53 53 TYR C C 53 175.972 175.053 0.919 1
1 581 . 18 1 1 A 54 54 PHE N N 54 116.478 116.413 0.065 1
1 582 . 18 1 1 A 54 54 PHE H H 54 8.877 8.276 0.601 1
1 583 . 18 1 1 A 54 54 PHE CA C 54 55.553 55.086 0.467 1
1 584 . 18 1 1 A 54 54 PHE HA H 54 5.173 5.038 0.135 1
1 585 . 18 1 1 A 54 54 PHE CB C 54 40.841 40.627 0.214 1
1 598 . 18 1 1 A 54 54 PHE C C 54 173.424 174.800 -1.376 1
1 599 . 18 1 1 A 55 55 PRO CA C 55 65.147 65.688 -0.541 1
1 600 . 18 1 1 A 55 55 PRO HA H 55 4.591 4.381 0.210 1
1 601 . 18 1 1 A 55 55 PRO CB C 55 32.014 31.937 0.077 1
1 610 . 18 1 1 A 55 55 PRO C C 55 179.255 179.184 0.071 1
1 611 . 18 1 1 A 56 56 LYS N N 56 113.672 118.769 -5.097 1
1 612 . 18 1 1 A 56 56 LYS H H 56 8.639 8.331 0.308 1
1 613 . 18 1 1 A 56 56 LYS CA C 56 56.918 59.643 -2.725 1
1 614 . 18 1 1 A 56 56 LYS HA H 56 4.384 4.038 0.346 1
1 615 . 18 1 1 A 56 56 LYS CB C 56 31.868 32.192 -0.324 1
1 627 . 18 1 1 A 56 56 LYS C C 56 178.220 179.376 -1.156 1
1 628 . 18 1 1 A 57 57 MET N N 57 116.692 119.068 -2.376 1
1 629 . 18 1 1 A 57 57 MET H H 57 8.099 8.253 -0.154 1
1 630 . 18 1 1 A 57 57 MET CA C 57 57.537 58.865 -1.328 1
1 631 . 18 1 1 A 57 57 MET HA H 57 4.260 4.119 0.141 1
1 632 . 18 1 1 A 57 57 MET CB C 57 35.400 32.264 3.136 1
1 642 . 18 1 1 A 57 57 MET C C 57 174.856 177.334 -2.478 1
1 643 . 18 1 1 A 58 58 VAL N N 58 114.727 119.616 -4.889 1
1 644 . 18 1 1 A 58 58 VAL H H 58 6.872 7.780 -0.908 1
1 645 . 18 1 1 A 58 58 VAL CA C 58 60.834 62.649 -1.815 1
1 646 . 18 1 1 A 58 58 VAL HA H 58 4.421 4.172 0.249 1
1 647 . 18 1 1 A 58 58 VAL CB C 58 36.223 31.255 4.968 1
1 657 . 18 1 1 A 58 58 VAL C C 58 173.747 175.200 -1.453 1
1 658 . 18 1 1 A 59 59 GLU N N 59 127.314 129.085 -1.771 1
1 659 . 18 1 1 A 59 59 GLU H H 59 8.783 8.953 -0.170 1
1 660 . 18 1 1 A 59 59 GLU CA C 59 54.465 54.935 -0.470 1
1 661 . 18 1 1 A 59 59 GLU HA H 59 4.671 4.597 0.074 1
1 662 . 18 1 1 A 59 59 GLU CB C 59 30.020 29.168 0.852 1
1 668 . 18 1 1 A 59 59 GLU C C 59 176.450 175.610 0.840 1
1 669 . 18 1 1 A 60 60 MET N N 60 122.273 122.767 -0.494 1
1 670 . 18 1 1 A 60 60 MET H H 60 9.004 7.868 1.136 1
1 671 . 18 1 1 A 60 60 MET CA C 60 55.751 55.938 -0.187 1
1 672 . 18 1 1 A 60 60 MET HA H 60 4.613 4.518 0.095 1
1 673 . 18 1 1 A 60 60 MET CB C 60 29.356 33.663 -4.307 1
1 683 . 18 1 1 A 60 60 MET C C 60 178.387 177.215 1.172 1
1 684 . 18 1 1 A 61 61 HIS N N 61 115.823 120.407 -4.584 1
1 685 . 18 1 1 A 61 61 HIS H H 61 8.198 9.053 -0.855 1
1 686 . 18 1 1 A 61 61 HIS CA C 61 57.963 56.923 1.040 1
1 687 . 18 1 1 A 61 61 HIS HA H 61 4.341 4.297 0.044 1
1 688 . 18 1 1 A 61 61 HIS CB C 61 29.235 29.342 -0.107 1
1 695 . 18 1 1 A 61 61 HIS C C 61 175.800 175.688 0.112 1
1 696 . 18 1 1 A 62 62 ASN N N 62 115.093 115.481 -0.388 1
1 697 . 18 1 1 A 62 62 ASN H H 62 6.895 8.275 -1.380 1
1 698 . 18 1 1 A 62 62 ASN CA C 62 54.503 53.539 0.964 1
1 699 . 18 1 1 A 62 62 ASN HA H 62 3.872 4.822 -0.950 1
1 700 . 18 1 1 A 62 62 ASN CB C 62 38.749 40.630 -1.881 1
1 706 . 18 1 1 A 62 62 ASN C C 62 173.014 175.112 -2.098 1
1 707 . 18 1 1 A 63 63 TYR N N 63 118.560 119.465 -0.905 1
1 708 . 18 1 1 A 63 63 TYR H H 63 7.255 7.726 -0.471 1
1 709 . 18 1 1 A 63 63 TYR CA C 63 56.311 58.579 -2.268 1
1 710 . 18 1 1 A 63 63 TYR HA H 63 4.481 4.586 -0.105 1
1 711 . 18 1 1 A 63 63 TYR CB C 63 39.138 39.025 0.113 1
1 722 . 18 1 1 A 63 63 TYR C C 63 173.223 175.917 -2.694 1
1 723 . 18 1 1 A 64 64 VAL N N 64 122.318 119.483 2.835 1
1 724 . 18 1 1 A 64 64 VAL H H 64 7.750 8.699 -0.949 1
1 725 . 18 1 1 A 64 64 VAL CA C 64 58.601 58.943 -0.342 1
1 726 . 18 1 1 A 64 64 VAL HA H 64 4.469 4.677 -0.208 1
1 727 . 18 1 1 A 64 64 VAL CB C 64 33.747 35.491 -1.744 1
1 737 . 18 1 1 A 64 64 VAL C C 64 173.983 173.978 0.005 1
1 738 . 18 1 1 A 65 65 PRO CA C 65 63.212 62.663 0.549 1
1 739 . 18 1 1 A 65 65 PRO HA H 65 4.348 4.776 -0.428 1
1 740 . 18 1 1 A 65 65 PRO CB C 65 31.279 33.103 -1.824 1
1 749 . 18 1 1 A 65 65 PRO C C 65 176.821 175.735 1.086 1
1 750 . 18 1 1 A 66 66 ALA N N 66 125.896 122.734 3.162 1
1 751 . 18 1 1 A 66 66 ALA H H 66 8.563 8.199 0.364 1
1 752 . 18 1 1 A 66 66 ALA CA C 66 52.003 50.999 1.004 1
1 753 . 18 1 1 A 66 66 ALA HA H 66 4.651 4.740 -0.089 1
1 754 . 18 1 1 A 66 66 ALA CB C 66 24.137 22.878 1.259 1
1 758 . 18 1 1 A 66 66 ALA C C 66 176.244 176.071 0.173 1
1 759 . 18 1 1 A 67 67 ASN CA C 67 52.862 54.307 -1.445 1
1 760 . 18 1 1 A 67 67 ASN HA H 67 4.988 5.013 -0.025 1
1 761 . 18 1 1 A 67 67 ASN CB C 67 40.168 40.973 -0.805 1
1 767 . 18 1 1 A 67 67 ASN C C 67 174.896 175.549 -0.653 1
1 768 . 18 1 1 A 68 68 SER N N 68 114.553 115.456 -0.903 1
1 769 . 18 1 1 A 68 68 SER H H 68 7.777 7.813 -0.036 1
1 770 . 18 1 1 A 68 68 SER CA C 68 56.741 59.236 -2.495 1
1 771 . 18 1 1 A 68 68 SER HA H 68 4.737 4.491 0.246 1
1 772 . 18 1 1 A 68 68 SER CB C 68 65.267 64.255 1.012 1
1 775 . 18 1 1 A 68 68 SER C C 68 174.542 174.612 -0.070 1
1 776 . 18 1 1 A 69 69 LEU CA C 69 59.000 57.264 1.736 1
1 777 . 18 1 1 A 69 69 LEU HA H 69 3.961 4.166 -0.205 1
1 778 . 18 1 1 A 69 69 LEU CB C 69 41.679 42.415 -0.736 1
1 791 . 18 1 1 A 69 69 LEU C C 69 178.629 178.833 -0.204 1
1 792 . 18 1 1 A 70 70 GLN N N 70 115.924 117.941 -2.017 1
1 793 . 18 1 1 A 70 70 GLN H H 70 8.785 8.341 0.444 1
1 794 . 18 1 1 A 70 70 GLN CA C 70 59.728 59.574 0.154 1
1 795 . 18 1 1 A 70 70 GLN HA H 70 3.977 3.946 0.031 1
1 796 . 18 1 1 A 70 70 GLN CB C 70 27.912 28.120 -0.208 1
1 805 . 18 1 1 A 70 70 GLN C C 70 178.954 178.526 0.428 1
1 806 . 18 1 1 A 71 71 GLN N N 71 118.694 119.533 -0.839 1
1 807 . 18 1 1 A 71 71 GLN H H 71 7.780 7.967 -0.187 1
1 808 . 18 1 1 A 71 71 GLN CA C 71 58.233 58.755 -0.522 1
1 809 . 18 1 1 A 71 71 GLN HA H 71 4.219 4.024 0.195 1
1 810 . 18 1 1 A 71 71 GLN CB C 71 29.089 28.735 0.354 1
1 819 . 18 1 1 A 71 71 GLN C C 71 178.724 177.684 1.040 1
1 820 . 18 1 1 A 72 72 LYS N N 72 119.661 118.365 1.296 1
1 821 . 18 1 1 A 72 72 LYS H H 72 8.094 8.052 0.042 1
1 822 . 18 1 1 A 72 72 LYS CA C 72 61.528 59.652 1.876 1
1 823 . 18 1 1 A 72 72 LYS HA H 72 4.206 3.997 0.209 1
1 824 . 18 1 1 A 72 72 LYS CB C 72 33.806 32.341 1.465 1
1 836 . 18 1 1 A 72 72 LYS C C 72 179.041 178.962 0.079 1
1 837 . 18 1 1 A 73 73 LEU N N 73 117.098 120.581 -3.483 1
1 838 . 18 1 1 A 73 73 LEU H H 73 8.602 7.866 0.736 1
1 839 . 18 1 1 A 73 73 LEU CA C 73 58.118 57.928 0.190 1
1 840 . 18 1 1 A 73 73 LEU HA H 73 4.287 4.072 0.215 1
1 841 . 18 1 1 A 73 73 LEU CB C 73 40.831 41.586 -0.755 1
1 854 . 18 1 1 A 73 73 LEU C C 73 180.838 179.126 1.712 1
1 855 . 18 1 1 A 74 74 SER N N 74 118.060 113.854 4.206 1
1 856 . 18 1 1 A 74 74 SER H H 74 8.334 8.164 0.170 1
1 857 . 18 1 1 A 74 74 SER CA C 74 61.971 61.627 0.344 1
1 858 . 18 1 1 A 74 74 SER HA H 74 4.431 3.968 0.463 1
1 859 . 18 1 1 A 74 74 SER CB C 74 62.560 63.010 -0.450 1
1 862 . 18 1 1 A 74 74 SER C C 74 177.493 177.356 0.137 1
1 863 . 18 1 1 A 75 75 ASN N N 75 121.688 119.162 2.526 1
1 864 . 18 1 1 A 75 75 ASN H H 75 8.266 8.163 0.103 1
1 865 . 18 1 1 A 75 75 ASN CA C 75 56.090 56.628 -0.538 1
1 866 . 18 1 1 A 75 75 ASN HA H 75 4.739 4.707 0.032 1
1 867 . 18 1 1 A 75 75 ASN CB C 75 38.184 38.221 -0.037 1
1 873 . 18 1 1 A 75 75 ASN C C 75 177.792 177.999 -0.207 1
1 874 . 18 1 1 A 76 76 TRP N N 76 118.943 120.013 -1.070 1
1 875 . 18 1 1 A 76 76 TRP H H 76 8.510 8.249 0.261 1
1 876 . 18 1 1 A 76 76 TRP CA C 76 62.294 59.515 2.779 1
1 877 . 18 1 1 A 76 76 TRP HA H 76 4.173 4.179 -0.006 1
1 878 . 18 1 1 A 76 76 TRP CB C 76 29.223 28.980 0.243 1
1 893 . 18 1 1 A 76 76 TRP C C 76 178.579 179.064 -0.485 1
1 894 . 18 1 1 A 77 77 GLY N N 77 107.789 107.565 0.224 1
1 895 . 18 1 1 A 77 77 GLY H H 77 8.954 9.089 -0.135 1
1 896 . 18 1 1 A 77 77 GLY CA C 77 47.600 47.386 0.214 1
1 897 . 18 1 1 A 77 77 GLY HA2 H 77 4.122 3.630 0.492 1
1 898 . 18 1 1 A 77 77 GLY HA3 H 77 3.977 3.733 0.244 1
1 899 . 18 1 1 A 77 77 GLY C C 77 176.076 176.703 -0.627 1
1 900 . 18 1 1 A 78 78 HIS N N 78 122.925 120.211 2.714 1
1 901 . 18 1 1 A 78 78 HIS H H 78 8.127 7.591 0.536 1
1 902 . 18 1 1 A 78 78 HIS CA C 78 61.550 58.429 3.121 1
1 903 . 18 1 1 A 78 78 HIS HA H 78 4.206 4.810 -0.604 1
1 904 . 18 1 1 A 78 78 HIS CB C 78 30.794 29.221 1.573 1
1 911 . 18 1 1 A 78 78 HIS C C 78 177.572 177.831 -0.259 1
1 912 . 18 1 1 A 79 79 LEU N N 79 120.009 120.991 -0.982 1
1 913 . 18 1 1 A 79 79 LEU H H 79 8.726 8.538 0.188 1
1 914 . 18 1 1 A 79 79 LEU CA C 79 58.252 57.860 0.392 1
1 915 . 18 1 1 A 79 79 LEU HA H 79 4.227 4.384 -0.157 1
1 916 . 18 1 1 A 79 79 LEU CB C 79 43.075 41.824 1.251 1
1 929 . 18 1 1 A 79 79 LEU C C 79 181.067 178.656 2.411 1
1 930 . 18 1 1 A 80 80 ASN N N 80 119.257 117.472 1.785 1
1 931 . 18 1 1 A 80 80 ASN H H 80 9.270 8.165 1.105 1
1 932 . 18 1 1 A 80 80 ASN CA C 80 57.279 56.531 0.748 1
1 933 . 18 1 1 A 80 80 ASN HA H 80 4.595 4.578 0.017 1
1 934 . 18 1 1 A 80 80 ASN CB C 80 40.403 39.026 1.377 1
1 940 . 18 1 1 A 80 80 ASN C C 80 177.177 176.957 0.220 1
1 941 . 18 1 1 A 81 81 ARG N N 81 115.731 117.219 -1.488 1
1 942 . 18 1 1 A 81 81 ARG H H 81 8.085 8.157 -0.072 1
1 943 . 18 1 1 A 81 81 ARG CA C 81 59.249 56.088 3.161 1
1 944 . 18 1 1 A 81 81 ARG HA H 81 4.167 4.573 -0.406 1
1 945 . 18 1 1 A 81 81 ARG CB C 81 31.579 30.847 0.732 1
1 954 . 18 1 1 A 81 81 ARG C C 81 177.890 176.883 1.007 1
1 955 . 18 1 1 A 82 82 LYS N N 82 113.840 118.173 -4.333 1
1 956 . 18 1 1 A 82 82 LYS H H 82 8.691 8.286 0.405 1
1 957 . 18 1 1 A 82 82 LYS CA C 82 56.216 57.378 -1.162 1
1 958 . 18 1 1 A 82 82 LYS HA H 82 4.441 4.418 0.023 1
1 959 . 18 1 1 A 82 82 LYS CB C 82 32.964 33.723 -0.759 1
1 971 . 18 1 1 A 82 82 LYS C C 82 177.543 177.490 0.053 1
1 972 . 18 1 1 A 83 83 VAL N N 83 117.873 117.780 0.093 1
1 973 . 18 1 1 A 83 83 VAL H H 83 7.786 7.927 -0.141 1
1 974 . 18 1 1 A 83 83 VAL CA C 83 64.939 64.228 0.711 1
1 975 . 18 1 1 A 83 83 VAL HA H 83 4.235 4.210 0.025 1
1 976 . 18 1 1 A 83 83 VAL CB C 83 34.046 32.294 1.752 1
1 986 . 18 1 1 A 83 83 VAL C C 83 176.945 177.823 -0.878 1
1 987 . 18 1 1 A 84 84 LEU N N 84 118.163 120.043 -1.880 1
1 988 . 18 1 1 A 84 84 LEU H H 84 9.200 8.185 1.015 1
1 989 . 18 1 1 A 84 84 LEU CA C 84 58.824 58.301 0.523 1
1 990 . 18 1 1 A 84 84 LEU HA H 84 3.898 3.921 -0.023 1
1 991 . 18 1 1 A 84 84 LEU CB C 84 38.418 41.727 -3.309 1
1 1004 . 18 1 1 A 84 84 LEU C C 84 179.874 178.875 0.999 1
1 1005 . 18 1 1 A 85 85 LYS N N 85 117.114 118.722 -1.608 1
1 1006 . 18 1 1 A 85 85 LYS H H 85 7.303 7.921 -0.618 1
1 1007 . 18 1 1 A 85 85 LYS CA C 85 59.436 59.869 -0.433 1
1 1008 . 18 1 1 A 85 85 LYS HA H 85 4.191 4.006 0.185 1
1 1009 . 18 1 1 A 85 85 LYS CB C 85 33.096 32.425 0.671 1
1 1021 . 18 1 1 A 85 85 LYS C C 85 180.286 178.758 1.528 1
1 1022 . 18 1 1 A 86 86 ARG N N 86 117.181 119.685 -2.504 1
1 1023 . 18 1 1 A 86 86 ARG H H 86 7.216 8.455 -1.239 1
1 1024 . 18 1 1 A 86 86 ARG CA C 86 57.924 58.996 -1.072 1
1 1025 . 18 1 1 A 86 86 ARG HA H 86 4.191 4.155 0.036 1
1 1026 . 18 1 1 A 86 86 ARG CB C 86 29.848 30.086 -0.238 1
1 1035 . 18 1 1 A 86 86 ARG C C 86 177.047 178.159 -1.112 1
1 1036 . 18 1 1 A 87 87 LEU N N 87 118.282 117.827 0.455 1
1 1037 . 18 1 1 A 87 87 LEU H H 87 7.584 8.314 -0.730 1
1 1038 . 18 1 1 A 87 87 LEU CA C 87 53.603 54.661 -1.058 1
1 1039 . 18 1 1 A 87 87 LEU HA H 87 4.339 4.433 -0.094 1
1 1040 . 18 1 1 A 87 87 LEU CB C 87 42.059 41.947 0.112 1
1 1053 . 18 1 1 A 87 87 LEU C C 87 175.182 175.510 -0.328 1
1 1054 . 18 1 1 A 88 88 ASN N N 88 115.016 114.913 0.103 1
1 1055 . 18 1 1 A 88 88 ASN H H 88 7.932 7.791 0.141 1
1 1056 . 18 1 1 A 88 88 ASN CA C 88 54.081 54.269 -0.188 1
1 1057 . 18 1 1 A 88 88 ASN HA H 88 4.384 4.400 -0.016 1
1 1058 . 18 1 1 A 88 88 ASN CB C 88 36.809 36.985 -0.176 1
1 1064 . 18 1 1 A 88 88 ASN C C 88 173.426 173.635 -0.209 1
1 1065 . 18 1 1 A 89 89 PHE N N 89 119.795 119.167 0.628 1
1 1066 . 18 1 1 A 89 89 PHE H H 89 7.739 7.729 0.010 1
1 1067 . 18 1 1 A 89 89 PHE CA C 89 56.231 56.135 0.096 1
1 1068 . 18 1 1 A 89 89 PHE HA H 89 4.887 4.988 -0.101 1
1 1069 . 18 1 1 A 89 89 PHE CB C 89 43.188 41.374 1.814 1
1 1082 . 18 1 1 A 89 89 PHE C C 89 172.386 173.877 -1.491 1
1 1083 . 18 1 1 A 90 90 SER N N 90 117.020 124.953 -7.933 1
1 1084 . 18 1 1 A 90 90 SER H H 90 7.301 8.611 -1.310 1
1 1085 . 18 1 1 A 90 90 SER CA C 90 56.762 57.155 -0.393 1
1 1086 . 18 1 1 A 90 90 SER HA H 90 4.667 5.488 -0.821 1
1 1087 . 18 1 1 A 90 90 SER CB C 90 64.885 65.740 -0.855 1
1 1090 . 18 1 1 A 90 90 SER C C 90 172.726 173.205 -0.479 1
1 1091 . 18 1 1 A 91 91 VAL N N 91 126.604 124.562 2.042 1
1 1092 . 18 1 1 A 91 91 VAL H H 91 8.959 9.065 -0.106 1
1 1093 . 18 1 1 A 91 91 VAL CA C 91 59.173 59.007 0.166 1
1 1094 . 18 1 1 A 91 91 VAL HA H 91 4.336 4.608 -0.272 1
1 1095 . 18 1 1 A 91 91 VAL CB C 91 33.703 35.716 -2.013 1
1 1105 . 18 1 1 A 91 91 VAL C C 91 173.886 173.942 -0.056 1
1 1106 . 18 1 1 A 92 92 PRO CA C 92 62.618 62.780 -0.162 1
1 1107 . 18 1 1 A 92 92 PRO HA H 92 4.481 4.650 -0.169 1
1 1108 . 18 1 1 A 92 92 PRO CB C 92 33.302 32.725 0.577 1
1 1117 . 18 1 1 A 92 92 PRO C C 92 177.410 177.547 -0.137 1
1 1118 . 18 1 1 A 93 93 ASP N N 93 123.319 122.872 0.447 1
1 1119 . 18 1 1 A 93 93 ASP H H 93 8.854 8.713 0.141 1
1 1120 . 18 1 1 A 93 93 ASP CA C 93 58.347 57.532 0.815 1
1 1121 . 18 1 1 A 93 93 ASP HA H 93 4.298 4.269 0.029 1
1 1122 . 18 1 1 A 93 93 ASP CB C 93 40.916 40.409 0.507 1
1 1125 . 18 1 1 A 93 93 ASP C C 93 178.221 177.937 0.284 1
1 1126 . 18 1 1 A 94 94 ASP N N 94 116.740 119.085 -2.345 1
1 1127 . 18 1 1 A 94 94 ASP H H 94 8.955 8.037 0.918 1
1 1128 . 18 1 1 A 94 94 ASP CA C 94 56.851 57.420 -0.569 1
1 1129 . 18 1 1 A 94 94 ASP HA H 94 4.222 4.241 -0.019 1
1 1130 . 18 1 1 A 94 94 ASP CB C 94 39.733 40.482 -0.749 1
1 1133 . 18 1 1 A 94 94 ASP C C 94 178.344 178.824 -0.480 1
1 1134 . 18 1 1 A 95 95 VAL N N 95 121.559 119.368 2.191 1
1 1135 . 18 1 1 A 95 95 VAL H H 95 6.935 7.911 -0.976 1
1 1136 . 18 1 1 A 95 95 VAL CA C 95 66.007 66.464 -0.457 1
1 1137 . 18 1 1 A 95 95 VAL HA H 95 3.378 3.543 -0.165 1
1 1138 . 18 1 1 A 95 95 VAL CB C 95 31.712 31.201 0.511 1
1 1148 . 18 1 1 A 95 95 VAL C C 95 177.153 177.561 -0.408 1
1 1149 . 18 1 1 A 96 96 MET N N 96 118.492 117.356 1.136 1
1 1150 . 18 1 1 A 96 96 MET H H 96 7.993 7.996 -0.003 1
1 1151 . 18 1 1 A 96 96 MET CA C 96 60.318 58.697 1.621 1
1 1152 . 18 1 1 A 96 96 MET HA H 96 3.037 3.796 -0.759 1
1 1153 . 18 1 1 A 96 96 MET CB C 96 33.348 32.408 0.940 1
1 1163 . 18 1 1 A 96 96 MET C C 96 176.993 178.733 -1.740 1
1 1164 . 18 1 1 A 97 97 ARG N N 97 116.593 118.874 -2.281 1
1 1165 . 18 1 1 A 97 97 ARG H H 97 7.668 8.339 -0.671 1
1 1166 . 18 1 1 A 97 97 ARG CA C 97 60.372 59.841 0.531 1
1 1167 . 18 1 1 A 97 97 ARG HA H 97 3.772 3.858 -0.086 1
1 1168 . 18 1 1 A 97 97 ARG CB C 97 29.627 30.001 -0.374 1
1 1177 . 18 1 1 A 97 97 ARG C C 97 177.718 178.937 -1.219 1
1 1178 . 18 1 1 A 98 98 LYS N N 98 118.000 119.250 -1.250 1
1 1179 . 18 1 1 A 98 98 LYS H H 98 7.279 7.589 -0.310 1
1 1180 . 18 1 1 A 98 98 LYS CA C 98 59.942 59.071 0.871 1
1 1181 . 18 1 1 A 98 98 LYS HA H 98 4.035 3.960 0.075 1
1 1182 . 18 1 1 A 98 98 LYS CB C 98 33.307 32.211 1.096 1
1 1194 . 18 1 1 A 98 98 LYS C C 98 178.861 178.840 0.021 1
1 1195 . 18 1 1 A 99 99 ILE N N 99 119.736 120.257 -0.521 1
1 1196 . 18 1 1 A 99 99 ILE H H 99 8.298 7.751 0.547 1
1 1197 . 18 1 1 A 99 99 ILE CA C 99 65.451 65.191 0.260 1
1 1198 . 18 1 1 A 99 99 ILE HA H 99 3.473 3.543 -0.070 1
1 1199 . 18 1 1 A 99 99 ILE CB C 99 38.088 37.085 1.003 1
1 1212 . 18 1 1 A 99 99 ILE C C 99 181.472 177.892 3.580 1
1 1213 . 18 1 1 A 100 100 ALA N N 100 124.832 121.455 3.377 1
1 1214 . 18 1 1 A 100 100 ALA H H 100 8.473 7.855 0.618 1
1 1215 . 18 1 1 A 100 100 ALA CA C 100 54.623 54.510 0.113 1
1 1216 . 18 1 1 A 100 100 ALA HA H 100 4.481 4.246 0.235 1
1 1217 . 18 1 1 A 100 100 ALA CB C 100 19.106 18.483 0.623 1
1 1221 . 18 1 1 A 100 100 ALA C C 100 177.755 179.075 -1.320 1
1 1222 . 18 1 1 A 101 101 GLN N N 101 113.891 114.882 -0.991 1
1 1223 . 18 1 1 A 101 101 GLN H H 101 7.665 7.850 -0.185 1
1 1224 . 18 1 1 A 101 101 GLN CA C 101 55.681 55.260 0.421 1
1 1225 . 18 1 1 A 101 101 GLN HA H 101 4.378 4.445 -0.067 1
1 1226 . 18 1 1 A 101 101 GLN CB C 101 28.879 28.608 0.271 1
1 1235 . 18 1 1 A 101 101 GLN C C 101 175.604 175.073 0.531 1
1 1236 . 18 1 1 A 102 102 CYS N N 102 114.274 117.809 -3.535 1
1 1237 . 18 1 1 A 102 102 CYS H H 102 8.300 7.728 0.572 1
1 1238 . 18 1 1 A 102 102 CYS CA C 102 58.700 59.924 -1.224 1
1 1239 . 18 1 1 A 102 102 CYS HA H 102 4.030 4.135 -0.105 1
1 1240 . 18 1 1 A 102 102 CYS CB C 102 24.987 26.084 -1.097 1
1 1243 . 18 1 1 A 102 102 CYS C C 102 174.186 173.885 0.301 1
1 1244 . 18 1 1 A 103 103 ALA N N 103 123.512 122.488 1.024 1
1 1245 . 18 1 1 A 103 103 ALA H H 103 8.175 7.323 0.852 1
1 1246 . 18 1 1 A 103 103 ALA CA C 103 50.841 50.824 0.017 1
1 1247 . 18 1 1 A 103 103 ALA HA H 103 4.458 4.406 0.052 1
1 1248 . 18 1 1 A 103 103 ALA CB C 103 18.353 18.563 -0.210 1
1 1252 . 18 1 1 A 103 103 ALA C C 103 175.904 175.922 -0.018 1
1 1253 . 18 1 1 A 104 104 PRO CA C 104 64.290 63.692 0.598 1
1 1254 . 18 1 1 A 104 104 PRO HA H 104 4.315 4.325 -0.010 1
1 1255 . 18 1 1 A 104 104 PRO CB C 104 32.028 31.651 0.377 1
1 1264 . 18 1 1 A 104 104 PRO C C 104 178.173 177.535 0.638 1
1 1265 . 18 1 1 A 105 105 GLY N N 105 113.466 112.316 1.150 1
1 1266 . 18 1 1 A 105 105 GLY H H 105 9.036 8.939 0.097 1
1 1267 . 18 1 1 A 105 105 GLY CA C 105 45.935 47.061 -1.126 1
1 1268 . 18 1 1 A 105 105 GLY HA2 H 105 4.044 3.902 0.142 1
1 1269 . 18 1 1 A 105 105 GLY HA3 H 105 3.832 3.908 -0.076 1
1 1270 . 18 1 1 A 105 105 GLY C C 105 174.928 174.320 0.608 1
1 1271 . 18 1 1 A 106 106 VAL N N 106 117.991 116.785 1.206 1
1 1272 . 18 1 1 A 106 106 VAL H H 106 6.964 7.758 -0.794 1
1 1273 . 18 1 1 A 106 106 VAL CA C 106 66.071 63.660 2.411 1
1 1274 . 18 1 1 A 106 106 VAL HA H 106 3.842 4.306 -0.464 1
1 1275 . 18 1 1 A 106 106 VAL CB C 106 31.337 33.514 -2.177 1
1 1285 . 18 1 1 A 106 106 VAL C C 106 178.061 176.718 1.343 1
1 1286 . 18 1 1 A 107 107 VAL N N 107 121.474 120.514 0.960 1
1 1287 . 18 1 1 A 107 107 VAL H H 107 9.039 8.145 0.894 1
1 1288 . 18 1 1 A 107 107 VAL CA C 107 65.971 64.819 1.152 1
1 1289 . 18 1 1 A 107 107 VAL HA H 107 3.743 3.601 0.142 1
1 1290 . 18 1 1 A 107 107 VAL CB C 107 30.959 31.085 -0.126 1
1 1300 . 18 1 1 A 107 107 VAL C C 107 177.629 177.364 0.265 1
1 1301 . 18 1 1 A 108 108 GLU N N 108 126.242 122.392 3.850 1
1 1302 . 18 1 1 A 108 108 GLU H H 108 11.107 8.351 2.756 1
1 1303 . 18 1 1 A 108 108 GLU CA C 108 62.429 59.414 3.015 1
1 1304 . 18 1 1 A 108 108 GLU HA H 108 3.584 4.039 -0.455 1
1 1305 . 18 1 1 A 108 108 GLU CB C 108 28.863 29.271 -0.408 1
1 1311 . 18 1 1 A 108 108 GLU C C 108 176.878 179.080 -2.202 1
1 1312 . 18 1 1 A 109 109 LEU N N 109 114.111 120.621 -6.510 1
1 1313 . 18 1 1 A 109 109 LEU H H 109 7.474 7.769 -0.295 1
1 1314 . 18 1 1 A 109 109 LEU CA C 109 56.293 57.933 -1.640 1
1 1315 . 18 1 1 A 109 109 LEU HA H 109 4.024 3.984 0.040 1
1 1316 . 18 1 1 A 109 109 LEU CB C 109 40.846 41.802 -0.956 1
1 1329 . 18 1 1 A 109 109 LEU C C 109 178.647 178.950 -0.303 1
1 1330 . 18 1 1 A 110 110 VAL N N 110 116.984 118.849 -1.865 1
1 1331 . 18 1 1 A 110 110 VAL H H 110 7.557 7.423 0.134 1
1 1332 . 18 1 1 A 110 110 VAL CA C 110 64.274 65.186 -0.912 1
1 1333 . 18 1 1 A 110 110 VAL HA H 110 4.206 3.957 0.249 1
1 1334 . 18 1 1 A 110 110 VAL CB C 110 33.070 31.567 1.503 1
1 1344 . 18 1 1 A 110 110 VAL C C 110 176.435 178.220 -1.785 1
1 1345 . 18 1 1 A 111 111 LEU N N 111 118.461 119.480 -1.019 1
1 1346 . 18 1 1 A 111 111 LEU H H 111 8.453 8.156 0.297 1
1 1347 . 18 1 1 A 111 111 LEU CA C 111 58.047 57.631 0.416 1
1 1348 . 18 1 1 A 111 111 LEU HA H 111 4.003 4.097 -0.094 1
1 1349 . 18 1 1 A 111 111 LEU CB C 111 43.552 41.089 2.463 1
1 1362 . 18 1 1 A 111 111 LEU C C 111 177.274 179.359 -2.085 1
1 1363 . 18 1 1 A 112 112 ILE N N 112 115.835 120.337 -4.502 1
1 1364 . 18 1 1 A 112 112 ILE H H 112 7.850 8.374 -0.524 1
1 1365 . 18 1 1 A 112 112 ILE CA C 112 67.843 66.366 1.477 1
1 1366 . 18 1 1 A 112 112 ILE HA H 112 3.636 3.674 -0.038 1
1 1367 . 18 1 1 A 112 112 ILE CB C 112 36.504 35.697 0.807 1
1 1380 . 18 1 1 A 112 112 ILE C C 112 176.487 175.205 1.282 1
1 1381 . 18 1 1 A 113 113 PRO CA C 113 64.872 65.228 -0.356 1
1 1382 . 18 1 1 A 113 113 PRO HA H 113 4.420 4.361 0.059 1
1 1383 . 18 1 1 A 113 113 PRO CB C 113 30.348 31.322 -0.974 1
1 1392 . 18 1 1 A 113 113 PRO C C 113 179.001 178.876 0.125 1
1 1393 . 18 1 1 A 114 114 LEU N N 114 120.690 118.029 2.661 1
1 1394 . 18 1 1 A 114 114 LEU H H 114 7.672 7.426 0.246 1
1 1395 . 18 1 1 A 114 114 LEU CA C 114 58.337 57.931 0.406 1
1 1396 . 18 1 1 A 114 114 LEU HA H 114 3.490 3.907 -0.417 1
1 1397 . 18 1 1 A 114 114 LEU CB C 114 41.840 41.933 -0.093 1
1 1410 . 18 1 1 A 114 114 LEU C C 114 177.486 178.067 -0.581 1
1 1411 . 18 1 1 A 115 115 ARG N N 115 119.039 117.728 1.311 1
1 1412 . 18 1 1 A 115 115 ARG H H 115 8.159 7.461 0.698 1
1 1413 . 18 1 1 A 115 115 ARG CA C 115 60.199 58.564 1.635 1
1 1414 . 18 1 1 A 115 115 ARG HA H 115 3.215 3.789 -0.574 1
1 1415 . 18 1 1 A 115 115 ARG CB C 115 28.049 29.622 -1.573 1
1 1426 . 18 1 1 A 115 115 ARG C C 115 177.460 178.062 -0.602 1
1 1427 . 18 1 1 A 116 116 GLN N N 116 115.221 119.164 -3.943 1
1 1428 . 18 1 1 A 116 116 GLN H H 116 6.825 8.054 -1.229 1
1 1429 . 18 1 1 A 116 116 GLN CA C 116 58.838 59.102 -0.264 1
1 1430 . 18 1 1 A 116 116 GLN HA H 116 3.830 3.886 -0.056 1
1 1431 . 18 1 1 A 116 116 GLN CB C 116 27.871 28.291 -0.420 1
1 1440 . 18 1 1 A 116 116 GLN C C 116 178.648 178.882 -0.234 1
1 1441 . 18 1 1 A 117 117 ARG N N 117 118.476 119.912 -1.436 1
1 1442 . 18 1 1 A 117 117 ARG H H 117 8.028 8.021 0.007 1
1 1443 . 18 1 1 A 117 117 ARG CA C 117 57.607 58.907 -1.300 1
1 1444 . 18 1 1 A 117 117 ARG HA H 117 4.117 4.043 0.074 1
1 1445 . 18 1 1 A 117 117 ARG CB C 117 30.040 29.996 0.044 1
1 1454 . 18 1 1 A 117 117 ARG C C 117 179.370 178.816 0.554 1
1 1455 . 18 1 1 A 118 118 LEU N N 118 120.407 119.988 0.419 1
1 1456 . 18 1 1 A 118 118 LEU H H 118 8.533 8.195 0.338 1
1 1457 . 18 1 1 A 118 118 LEU CA C 118 58.295 57.825 0.470 1
1 1458 . 18 1 1 A 118 118 LEU HA H 118 3.950 3.948 0.002 1
1 1459 . 18 1 1 A 118 118 LEU CB C 118 40.472 40.799 -0.327 1
1 1472 . 18 1 1 A 118 118 LEU C C 118 178.577 179.270 -0.693 1
1 1473 . 18 1 1 A 119 119 GLU N N 119 116.858 117.977 -1.119 1
1 1474 . 18 1 1 A 119 119 GLU H H 119 8.220 8.448 -0.228 1
1 1475 . 18 1 1 A 119 119 GLU CA C 119 59.441 59.890 -0.449 1
1 1476 . 18 1 1 A 119 119 GLU HA H 119 4.047 4.031 0.016 1
1 1477 . 18 1 1 A 119 119 GLU CB C 119 29.271 29.258 0.013 1
1 1483 . 18 1 1 A 119 119 GLU C C 119 179.631 179.182 0.449 1
1 1484 . 18 1 1 A 120 120 GLU N N 120 119.797 119.718 0.079 1
1 1485 . 18 1 1 A 120 120 GLU H H 120 8.199 7.932 0.267 1
1 1486 . 18 1 1 A 120 120 GLU CA C 120 59.223 59.350 -0.127 1
1 1487 . 18 1 1 A 120 120 GLU HA H 120 4.062 4.137 -0.075 1
1 1488 . 18 1 1 A 120 120 GLU CB C 120 29.562 29.410 0.152 1
1 1494 . 18 1 1 A 120 120 GLU C C 120 178.823 179.196 -0.373 1
1 1495 . 18 1 1 A 121 121 ARG N N 121 118.760 119.090 -0.330 1
1 1496 . 18 1 1 A 121 121 ARG H H 121 7.928 8.000 -0.072 1
1 1497 . 18 1 1 A 121 121 ARG CA C 121 58.065 59.548 -1.483 1
1 1498 . 18 1 1 A 121 121 ARG HA H 121 4.136 4.188 -0.052 1
1 1499 . 18 1 1 A 121 121 ARG CB C 121 29.478 30.037 -0.559 1
1 1508 . 18 1 1 A 121 121 ARG C C 121 178.426 178.868 -0.442 1
1 1509 . 18 1 1 A 122 122 GLN N N 122 119.430 119.382 0.048 1
1 1510 . 18 1 1 A 122 122 GLN H H 122 8.323 8.138 0.185 1
1 1511 . 18 1 1 A 122 122 GLN CA C 122 58.489 59.401 -0.912 1
1 1512 . 18 1 1 A 122 122 GLN HA H 122 4.352 4.373 -0.021 1
1 1513 . 18 1 1 A 122 122 GLN CB C 122 29.611 28.387 1.224 1
1 1522 . 18 1 1 A 122 122 GLN C C 122 177.291 177.921 -0.630 1
1 1523 . 18 1 1 A 123 123 ARG N N 123 118.341 117.111 1.230 1
1 1524 . 18 1 1 A 123 123 ARG H H 123 7.920 8.006 -0.086 1
1 1525 . 18 1 1 A 123 123 ARG CA C 123 57.695 58.938 -1.243 1
1 1526 . 18 1 1 A 123 123 ARG HA H 123 4.266 4.207 0.059 1
1 1527 . 18 1 1 A 123 123 ARG CB C 123 30.671 30.966 -0.295 1
1 1536 . 18 1 1 A 123 123 ARG C C 123 177.214 176.417 0.797 1
1 1537 . 18 1 1 A 124 124 ARG N N 124 119.452 115.798 3.654 1
1 1538 . 18 1 1 A 124 124 ARG H H 124 7.850 8.537 -0.687 1
1 1539 . 18 1 1 A 124 124 ARG CA C 124 56.814 57.495 -0.681 1
1 1540 . 18 1 1 A 124 124 ARG HA H 124 4.300 3.996 0.304 1
1 1541 . 18 1 1 A 124 124 ARG CB C 124 30.672 28.378 2.294 1
1 1550 . 18 1 1 A 124 124 ARG C C 124 176.540 175.526 1.014 1
1 1551 . 18 1 1 A 125 125 ARG N N 125 120.963 109.604 11.359 1
1 1552 . 18 1 1 A 125 125 ARG H H 125 8.081 8.568 -0.487 1
1 1553 . 18 1 1 A 125 125 ARG CA C 125 56.514 57.365 -0.851 1
1 1554 . 18 1 1 A 125 125 ARG HA H 125 4.355 3.826 0.529 1
1 1555 . 18 1 1 A 125 125 ARG CB C 125 30.694 27.133 3.561 1
1 1564 . 18 1 1 A 125 125 ARG C C 125 176.133 174.250 1.883 1
1 1565 . 18 1 1 A 126 126 LYS N N 126 122.811 117.162 5.649 1
1 1566 . 18 1 1 A 126 126 LYS H H 126 8.252 7.634 0.618 1
1 1567 . 18 1 1 A 126 126 LYS CA C 126 56.430 54.705 1.725 1
1 1568 . 18 1 1 A 126 126 LYS HA H 126 4.351 4.695 -0.344 1
1 1569 . 18 1 1 A 126 126 LYS CB C 126 33.017 35.359 -2.342 1
1 1581 . 18 1 1 A 126 126 LYS C C 126 175.649 175.520 0.129 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.715 57.838 0.877 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.472 4.481 -0.009 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.934 64.807 -0.873 1
1 6 . 19 1 1 A 6 6 SER C C 6 174.927 174.644 0.283 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.435 107.977 2.458 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.348 8.502 -0.154 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.364 45.020 0.344 1
1 10 . 19 1 1 A 7 7 GLY HA2 H 7 3.919 4.011 -0.092 1
1 11 . 19 1 1 A 7 7 GLY HA3 H 7 3.919 4.011 -0.092 1
1 12 . 19 1 1 A 7 7 GLY C C 7 173.952 173.707 0.245 1
1 13 . 19 1 1 A 8 8 MET N N 8 119.481 120.065 -0.584 1
1 14 . 19 1 1 A 8 8 MET H H 8 8.163 8.662 -0.499 1
1 15 . 19 1 1 A 8 8 MET CA C 8 55.472 54.889 0.583 1
1 16 . 19 1 1 A 8 8 MET HA H 8 4.486 4.942 -0.456 1
1 17 . 19 1 1 A 8 8 MET CB C 8 33.598 36.374 -2.776 1
1 27 . 19 1 1 A 8 8 MET C C 8 176.019 174.204 1.815 1
1 28 . 19 1 1 A 9 9 ALA N N 9 125.433 127.273 -1.840 1
1 29 . 19 1 1 A 9 9 ALA H H 9 8.436 8.394 0.042 1
1 30 . 19 1 1 A 9 9 ALA CA C 9 52.481 53.030 -0.549 1
1 31 . 19 1 1 A 9 9 ALA HA H 9 4.381 4.266 0.115 1
1 32 . 19 1 1 A 9 9 ALA CB C 9 19.322 19.152 0.170 1
1 36 . 19 1 1 A 9 9 ALA C C 9 177.349 177.594 -0.245 1
1 37 . 19 1 1 A 10 10 SER N N 10 114.383 116.726 -2.343 1
1 38 . 19 1 1 A 10 10 SER H H 10 8.372 8.876 -0.504 1
1 39 . 19 1 1 A 10 10 SER CA C 10 58.607 57.768 0.839 1
1 40 . 19 1 1 A 10 10 SER HA H 10 4.470 4.818 -0.348 1
1 41 . 19 1 1 A 10 10 SER CB C 10 63.979 66.819 -2.840 1
1 44 . 19 1 1 A 10 10 SER C C 10 174.323 173.083 1.240 1
1 45 . 19 1 1 A 11 11 SER N N 11 116.549 119.082 -2.533 1
1 46 . 19 1 1 A 11 11 SER H H 11 8.111 8.690 -0.579 1
1 47 . 19 1 1 A 11 11 SER CA C 11 58.189 57.939 0.250 1
1 48 . 19 1 1 A 11 11 SER HA H 11 4.487 4.647 -0.160 1
1 49 . 19 1 1 A 11 11 SER CB C 11 64.081 64.543 -0.462 1
1 52 . 19 1 1 A 11 11 SER C C 11 173.692 175.211 -1.519 1
1 53 . 19 1 1 A 12 12 VAL N N 12 120.502 122.052 -1.550 1
1 54 . 19 1 1 A 12 12 VAL H H 12 8.207 8.355 -0.148 1
1 55 . 19 1 1 A 12 12 VAL CA C 12 61.847 62.781 -0.934 1
1 56 . 19 1 1 A 12 12 VAL HA H 12 4.150 4.195 -0.045 1
1 57 . 19 1 1 A 12 12 VAL CB C 12 33.269 32.325 0.944 1
1 67 . 19 1 1 A 12 12 VAL C C 12 174.930 175.514 -0.584 1
1 68 . 19 1 1 A 13 13 ASP N N 13 124.104 125.578 -1.474 1
1 69 . 19 1 1 A 13 13 ASP H H 13 7.953 8.449 -0.496 1
1 70 . 19 1 1 A 13 13 ASP CA C 13 53.249 52.448 0.801 1
1 71 . 19 1 1 A 13 13 ASP HA H 13 4.661 5.103 -0.442 1
1 72 . 19 1 1 A 13 13 ASP CB C 13 41.891 44.423 -2.532 1
1 75 . 19 1 1 A 13 13 ASP C C 13 176.009 175.935 0.074 1
1 76 . 19 1 1 A 14 14 GLU N N 14 120.197 123.681 -3.484 1
1 77 . 19 1 1 A 14 14 GLU H H 14 8.568 9.159 -0.591 1
1 78 . 19 1 1 A 14 14 GLU CA C 14 59.932 59.841 0.091 1
1 79 . 19 1 1 A 14 14 GLU HA H 14 3.944 4.030 -0.086 1
1 80 . 19 1 1 A 14 14 GLU CB C 14 29.670 29.244 0.426 1
1 86 . 19 1 1 A 14 14 GLU C C 14 178.863 178.596 0.267 1
1 87 . 19 1 1 A 15 15 GLU N N 15 120.713 118.535 2.178 1
1 88 . 19 1 1 A 15 15 GLU H H 15 8.312 8.238 0.074 1
1 89 . 19 1 1 A 15 15 GLU CA C 15 59.101 59.388 -0.287 1
1 90 . 19 1 1 A 15 15 GLU HA H 15 4.244 4.122 0.122 1
1 91 . 19 1 1 A 15 15 GLU CB C 15 28.917 29.283 -0.366 1
1 97 . 19 1 1 A 15 15 GLU C C 15 178.511 179.049 -0.538 1
1 98 . 19 1 1 A 16 16 ALA N N 16 123.041 122.221 0.820 1
1 99 . 19 1 1 A 16 16 ALA H H 16 8.047 8.064 -0.017 1
1 100 . 19 1 1 A 16 16 ALA CA C 16 54.830 55.175 -0.345 1
1 101 . 19 1 1 A 16 16 ALA HA H 16 4.093 4.227 -0.134 1
1 102 . 19 1 1 A 16 16 ALA CB C 16 18.371 18.529 -0.158 1
1 106 . 19 1 1 A 16 16 ALA C C 16 181.428 180.134 1.294 1
1 107 . 19 1 1 A 17 17 LEU N N 17 119.436 117.729 1.707 1
1 108 . 19 1 1 A 17 17 LEU H H 17 8.042 7.938 0.104 1
1 109 . 19 1 1 A 17 17 LEU CA C 17 57.623 58.042 -0.419 1
1 110 . 19 1 1 A 17 17 LEU HA H 17 3.838 3.775 0.063 1
1 111 . 19 1 1 A 17 17 LEU CB C 17 41.323 41.714 -0.391 1
1 124 . 19 1 1 A 17 17 LEU C C 17 177.590 178.584 -0.994 1
1 125 . 19 1 1 A 18 18 HIS N N 18 118.394 117.925 0.469 1
1 126 . 19 1 1 A 18 18 HIS H H 18 8.182 8.086 0.096 1
1 127 . 19 1 1 A 18 18 HIS CA C 18 59.415 60.293 -0.878 1
1 128 . 19 1 1 A 18 18 HIS HA H 18 4.435 4.309 0.126 1
1 129 . 19 1 1 A 18 18 HIS CB C 18 29.560 29.948 -0.388 1
1 136 . 19 1 1 A 18 18 HIS C C 18 178.114 176.651 1.463 1
1 137 . 19 1 1 A 19 19 GLN N N 19 115.623 116.931 -1.308 1
1 138 . 19 1 1 A 19 19 GLN H H 19 8.178 8.085 0.093 1
1 139 . 19 1 1 A 19 19 GLN CA C 19 58.406 59.285 -0.879 1
1 140 . 19 1 1 A 19 19 GLN HA H 19 3.904 3.759 0.145 1
1 141 . 19 1 1 A 19 19 GLN CB C 19 28.118 28.383 -0.265 1
1 150 . 19 1 1 A 19 19 GLN C C 19 179.132 178.594 0.538 1
1 151 . 19 1 1 A 20 20 LEU N N 20 122.817 121.700 1.117 1
1 152 . 19 1 1 A 20 20 LEU H H 20 7.949 7.938 0.011 1
1 153 . 19 1 1 A 20 20 LEU CA C 20 58.278 58.209 0.069 1
1 154 . 19 1 1 A 20 20 LEU HA H 20 4.233 4.142 0.091 1
1 155 . 19 1 1 A 20 20 LEU CB C 20 40.850 41.833 -0.983 1
1 168 . 19 1 1 A 20 20 LEU C C 20 178.466 178.247 0.219 1
1 169 . 19 1 1 A 21 21 TYR N N 21 118.825 118.515 0.310 1
1 170 . 19 1 1 A 21 21 TYR H H 21 8.376 7.969 0.407 1
1 171 . 19 1 1 A 21 21 TYR CA C 21 60.605 60.743 -0.138 1
1 172 . 19 1 1 A 21 21 TYR HA H 21 4.286 4.341 -0.055 1
1 173 . 19 1 1 A 21 21 TYR CB C 21 36.667 37.899 -1.232 1
1 184 . 19 1 1 A 21 21 TYR C C 21 178.654 178.200 0.454 1
1 185 . 19 1 1 A 22 22 LEU N N 22 118.954 119.817 -0.863 1
1 186 . 19 1 1 A 22 22 LEU H H 22 7.869 8.539 -0.670 1
1 187 . 19 1 1 A 22 22 LEU CA C 22 57.887 57.967 -0.080 1
1 188 . 19 1 1 A 22 22 LEU HA H 22 4.076 3.844 0.232 1
1 189 . 19 1 1 A 22 22 LEU CB C 22 42.250 41.791 0.459 1
1 202 . 19 1 1 A 22 22 LEU C C 22 178.877 178.930 -0.053 1
1 203 . 19 1 1 A 23 23 TRP N N 23 120.668 120.270 0.398 1
1 204 . 19 1 1 A 23 23 TRP H H 23 7.804 8.338 -0.534 1
1 205 . 19 1 1 A 23 23 TRP CA C 23 60.711 61.020 -0.309 1
1 206 . 19 1 1 A 23 23 TRP HA H 23 4.436 4.124 0.312 1
1 207 . 19 1 1 A 23 23 TRP CB C 23 28.035 29.803 -1.768 1
1 222 . 19 1 1 A 23 23 TRP C C 23 178.471 178.315 0.156 1
1 223 . 19 1 1 A 24 24 VAL N N 24 116.831 119.375 -2.544 1
1 224 . 19 1 1 A 24 24 VAL H H 24 8.503 7.906 0.597 1
1 225 . 19 1 1 A 24 24 VAL CA C 24 66.014 66.175 -0.161 1
1 226 . 19 1 1 A 24 24 VAL HA H 24 3.084 2.988 0.096 1
1 227 . 19 1 1 A 24 24 VAL CB C 24 31.826 31.410 0.416 1
1 237 . 19 1 1 A 24 24 VAL C C 24 178.212 177.732 0.480 1
1 238 . 19 1 1 A 25 25 ASP N N 25 117.894 120.308 -2.414 1
1 239 . 19 1 1 A 25 25 ASP H H 25 8.140 8.278 -0.138 1
1 240 . 19 1 1 A 25 25 ASP CA C 25 57.043 57.456 -0.413 1
1 241 . 19 1 1 A 25 25 ASP HA H 25 4.290 4.304 -0.014 1
1 242 . 19 1 1 A 25 25 ASP CB C 25 41.067 42.361 -1.294 1
1 245 . 19 1 1 A 25 25 ASP C C 25 177.163 178.319 -1.156 1
1 246 . 19 1 1 A 26 26 ASN N N 26 114.914 115.316 -0.402 1
1 247 . 19 1 1 A 26 26 ASN H H 26 7.229 7.706 -0.477 1
1 248 . 19 1 1 A 26 26 ASN CA C 26 53.375 56.362 -2.987 1
1 249 . 19 1 1 A 26 26 ASN HA H 26 4.607 4.538 0.069 1
1 250 . 19 1 1 A 26 26 ASN CB C 26 40.048 38.458 1.590 1
1 256 . 19 1 1 A 26 26 ASN C C 26 174.227 177.131 -2.904 1
1 257 . 19 1 1 A 27 27 ILE N N 27 123.268 119.514 3.754 1
1 258 . 19 1 1 A 27 27 ILE H H 27 7.212 7.041 0.171 1
1 259 . 19 1 1 A 27 27 ILE CA C 27 58.327 60.595 -2.268 1
1 260 . 19 1 1 A 27 27 ILE HA H 27 3.628 3.928 -0.300 1
1 261 . 19 1 1 A 27 27 ILE CB C 27 39.403 37.755 1.648 1
1 274 . 19 1 1 A 27 27 ILE C C 27 173.764 174.163 -0.399 1
1 275 . 19 1 1 A 28 28 PRO CA C 28 62.584 62.475 0.109 1
1 276 . 19 1 1 A 28 28 PRO HA H 28 4.354 4.670 -0.316 1
1 277 . 19 1 1 A 28 28 PRO CB C 28 30.056 31.673 -1.617 1
1 286 . 19 1 1 A 28 28 PRO C C 28 175.419 175.827 -0.408 1
1 287 . 19 1 1 A 29 29 LEU N N 29 125.355 125.446 -0.091 1
1 288 . 19 1 1 A 29 29 LEU H H 29 8.118 8.597 -0.479 1
1 289 . 19 1 1 A 29 29 LEU CA C 29 53.358 54.164 -0.806 1
1 290 . 19 1 1 A 29 29 LEU HA H 29 4.748 4.654 0.094 1
1 291 . 19 1 1 A 29 29 LEU CB C 29 45.279 43.522 1.757 1
1 304 . 19 1 1 A 29 29 LEU C C 29 178.577 175.951 2.626 1
1 305 . 19 1 1 A 31 31 ARG CA C 31 53.250 52.596 0.654 1
1 306 . 19 1 1 A 31 31 ARG HA H 31 4.787 4.713 0.074 1
1 307 . 19 1 1 A 31 31 ARG CB C 31 32.107 32.007 0.100 1
1 316 . 19 1 1 A 32 32 PRO CA C 32 62.865 62.274 0.591 1
1 317 . 19 1 1 A 32 32 PRO HA H 32 4.300 4.667 -0.367 1
1 318 . 19 1 1 A 32 32 PRO CB C 32 32.193 33.348 -1.155 1
1 327 . 19 1 1 A 33 33 LYS CA C 33 56.154 55.191 0.963 1
1 328 . 19 1 1 A 33 33 LYS HA H 33 4.361 4.683 -0.322 1
1 329 . 19 1 1 A 33 33 LYS CB C 33 32.368 32.173 0.195 1
1 341 . 19 1 1 A 34 34 ARG N N 34 122.768 120.489 2.279 1
1 342 . 19 1 1 A 34 34 ARG H H 34 8.410 8.010 0.400 1
1 343 . 19 1 1 A 34 34 ARG HA H 34 4.336 4.513 -0.177 1
1 344 . 19 1 1 A 34 34 ARG CB C 34 31.894 31.909 -0.015 1
1 349 . 19 1 1 A 35 35 ASN CA C 35 53.153 52.497 0.656 1
1 350 . 19 1 1 A 35 35 ASN HA H 35 4.771 5.045 -0.274 1
1 351 . 19 1 1 A 35 35 ASN CB C 35 39.425 40.730 -1.305 1
1 357 . 19 1 1 A 36 36 LEU N N 36 110.943 128.119 -17.176 1
1 358 . 19 1 1 A 36 36 LEU H H 36 8.305 8.674 -0.369 1
1 359 . 19 1 1 A 36 36 LEU CA C 36 60.191 58.282 1.909 1
1 360 . 19 1 1 A 36 36 LEU HA H 36 4.140 4.176 -0.036 1
1 361 . 19 1 1 A 36 36 LEU CB C 36 41.876 42.197 -0.321 1
1 374 . 19 1 1 A 37 37 SER CA C 37 61.673 61.767 -0.094 1
1 375 . 19 1 1 A 37 37 SER HA H 37 4.080 4.170 -0.090 1
1 376 . 19 1 1 A 37 37 SER CB C 37 62.700 63.034 -0.334 1
1 379 . 19 1 1 A 38 38 ARG N N 38 119.288 121.336 -2.048 1
1 380 . 19 1 1 A 38 38 ARG H H 38 7.773 8.124 -0.351 1
1 381 . 19 1 1 A 38 38 ARG HA H 38 4.587 4.288 0.299 1
1 384 . 19 1 1 A 39 39 ASP N N 39 121.607 119.485 2.122 1
1 385 . 19 1 1 A 39 39 ASP H H 39 9.487 8.060 1.427 1
1 386 . 19 1 1 A 39 39 ASP CA C 39 58.026 57.134 0.892 1
1 387 . 19 1 1 A 39 39 ASP HA H 39 4.518 4.294 0.224 1
1 388 . 19 1 1 A 39 39 ASP CB C 39 40.039 40.716 -0.677 1
1 391 . 19 1 1 A 40 40 PHE N N 40 115.310 118.166 -2.856 1
1 392 . 19 1 1 A 40 40 PHE H H 40 8.300 7.940 0.360 1
1 393 . 19 1 1 A 40 40 PHE CA C 40 59.420 60.992 -1.572 1
1 394 . 19 1 1 A 40 40 PHE HA H 40 4.605 4.256 0.349 1
1 395 . 19 1 1 A 40 40 PHE CB C 40 39.030 38.788 0.242 1
1 408 . 19 1 1 A 41 41 SER N N 41 115.417 115.829 -0.412 1
1 409 . 19 1 1 A 41 41 SER H H 41 7.441 8.603 -1.162 1
1 410 . 19 1 1 A 41 41 SER CA C 41 62.290 62.076 0.214 1
1 411 . 19 1 1 A 41 41 SER HA H 41 4.341 4.498 -0.157 1
1 412 . 19 1 1 A 41 41 SER CB C 41 64.510 63.182 1.328 1
1 415 . 19 1 1 A 42 42 ASP N N 42 117.563 120.868 -3.305 1
1 416 . 19 1 1 A 42 42 ASP H H 42 8.726 7.492 1.234 1
1 417 . 19 1 1 A 42 42 ASP CA C 42 53.746 53.966 -0.220 1
1 418 . 19 1 1 A 42 42 ASP HA H 42 4.780 5.021 -0.241 1
1 419 . 19 1 1 A 42 42 ASP CB C 42 42.695 39.527 3.168 1
1 422 . 19 1 1 A 42 42 ASP C C 42 176.013 176.909 -0.896 1
1 423 . 19 1 1 A 43 43 GLY N N 43 106.643 111.621 -4.978 1
1 424 . 19 1 1 A 43 43 GLY H H 43 7.388 8.517 -1.129 1
1 425 . 19 1 1 A 43 43 GLY CA C 43 45.230 47.000 -1.770 1
1 426 . 19 1 1 A 43 43 GLY HA2 H 43 3.131 2.891 0.240 1
1 427 . 19 1 1 A 43 43 GLY HA3 H 43 2.588 3.179 -0.591 1
1 428 . 19 1 1 A 43 43 GLY C C 43 173.476 175.459 -1.983 1
1 429 . 19 1 1 A 44 44 VAL N N 44 121.300 121.780 -0.480 1
1 430 . 19 1 1 A 44 44 VAL H H 44 7.874 7.912 -0.038 1
1 431 . 19 1 1 A 44 44 VAL CA C 44 67.198 65.830 1.368 1
1 432 . 19 1 1 A 44 44 VAL HA H 44 3.018 3.561 -0.543 1
1 433 . 19 1 1 A 44 44 VAL CB C 44 31.139 31.663 -0.524 1
1 443 . 19 1 1 A 44 44 VAL C C 44 177.853 177.900 -0.047 1
1 444 . 19 1 1 A 45 45 LEU N N 45 114.495 120.129 -5.634 1
1 445 . 19 1 1 A 45 45 LEU H H 45 8.945 8.159 0.786 1
1 446 . 19 1 1 A 45 45 LEU CA C 45 57.466 58.044 -0.578 1
1 447 . 19 1 1 A 45 45 LEU HA H 45 3.838 3.881 -0.043 1
1 448 . 19 1 1 A 45 45 LEU CB C 45 40.503 41.153 -0.650 1
1 461 . 19 1 1 A 45 45 LEU C C 45 179.257 178.642 0.615 1
1 462 . 19 1 1 A 46 46 VAL N N 46 118.354 119.031 -0.677 1
1 463 . 19 1 1 A 46 46 VAL H H 46 7.422 7.654 -0.232 1
1 464 . 19 1 1 A 46 46 VAL CA C 46 67.288 66.600 0.688 1
1 465 . 19 1 1 A 46 46 VAL HA H 46 3.469 3.672 -0.203 1
1 466 . 19 1 1 A 46 46 VAL CB C 46 30.173 31.458 -1.285 1
1 476 . 19 1 1 A 46 46 VAL C C 46 176.954 178.027 -1.073 1
1 477 . 19 1 1 A 47 47 ALA N N 47 121.963 121.667 0.296 1
1 478 . 19 1 1 A 47 47 ALA H H 47 7.272 7.848 -0.576 1
1 479 . 19 1 1 A 47 47 ALA CA C 47 55.991 55.452 0.539 1
1 480 . 19 1 1 A 47 47 ALA HA H 47 3.576 3.868 -0.292 1
1 481 . 19 1 1 A 47 47 ALA CB C 47 17.292 17.603 -0.311 1
1 485 . 19 1 1 A 47 47 ALA C C 47 178.880 179.871 -0.991 1
1 486 . 19 1 1 A 48 48 GLU N N 48 116.763 118.510 -1.747 1
1 487 . 19 1 1 A 48 48 GLU H H 48 8.081 7.681 0.400 1
1 488 . 19 1 1 A 48 48 GLU CA C 48 60.605 59.517 1.088 1
1 489 . 19 1 1 A 48 48 GLU HA H 48 3.851 4.056 -0.205 1
1 490 . 19 1 1 A 48 48 GLU CB C 48 30.467 29.519 0.948 1
1 496 . 19 1 1 A 48 48 GLU C C 48 180.175 179.259 0.916 1
1 497 . 19 1 1 A 49 49 VAL N N 49 122.024 119.734 2.290 1
1 498 . 19 1 1 A 49 49 VAL H H 49 8.325 7.494 0.831 1
1 499 . 19 1 1 A 49 49 VAL CA C 49 67.146 65.918 1.228 1
1 500 . 19 1 1 A 49 49 VAL HA H 49 3.530 3.772 -0.242 1
1 501 . 19 1 1 A 49 49 VAL CB C 49 31.543 31.774 -0.231 1
1 511 . 19 1 1 A 49 49 VAL C C 49 177.168 178.623 -1.455 1
1 512 . 19 1 1 A 50 50 ILE N N 50 117.821 120.838 -3.017 1
1 513 . 19 1 1 A 50 50 ILE H H 50 7.947 8.026 -0.079 1
1 514 . 19 1 1 A 50 50 ILE CA C 50 66.217 64.841 1.376 1
1 515 . 19 1 1 A 50 50 ILE HA H 50 3.757 4.078 -0.321 1
1 516 . 19 1 1 A 50 50 ILE CB C 50 37.952 36.617 1.335 1
1 529 . 19 1 1 A 50 50 ILE C C 50 177.890 177.942 -0.052 1
1 530 . 19 1 1 A 51 51 LYS N N 51 121.589 121.924 -0.335 1
1 531 . 19 1 1 A 51 51 LYS H H 51 8.790 8.394 0.396 1
1 532 . 19 1 1 A 51 51 LYS CA C 51 58.277 59.601 -1.324 1
1 533 . 19 1 1 A 51 51 LYS HA H 51 3.816 4.048 -0.232 1
1 534 . 19 1 1 A 51 51 LYS CB C 51 32.898 32.211 0.687 1
1 546 . 19 1 1 A 51 51 LYS C C 51 176.668 178.737 -2.069 1
1 547 . 19 1 1 A 52 52 PHE N N 52 117.622 120.449 -2.827 1
1 548 . 19 1 1 A 52 52 PHE H H 52 7.768 7.700 0.068 1
1 549 . 19 1 1 A 52 52 PHE CA C 52 60.585 61.297 -0.712 1
1 550 . 19 1 1 A 52 52 PHE HA H 52 4.090 4.053 0.037 1
1 551 . 19 1 1 A 52 52 PHE CB C 52 38.775 39.226 -0.451 1
1 564 . 19 1 1 A 52 52 PHE C C 52 176.831 176.464 0.367 1
1 565 . 19 1 1 A 53 53 TYR N N 53 115.876 116.319 -0.443 1
1 566 . 19 1 1 A 53 53 TYR H H 53 7.346 8.114 -0.768 1
1 567 . 19 1 1 A 53 53 TYR CA C 53 61.264 59.908 1.356 1
1 568 . 19 1 1 A 53 53 TYR HA H 53 3.697 4.322 -0.625 1
1 569 . 19 1 1 A 53 53 TYR CB C 53 41.522 39.312 2.210 1
1 580 . 19 1 1 A 53 53 TYR C C 53 175.972 174.633 1.339 1
1 581 . 19 1 1 A 54 54 PHE N N 54 116.478 116.633 -0.155 1
1 582 . 19 1 1 A 54 54 PHE H H 54 8.877 8.261 0.616 1
1 583 . 19 1 1 A 54 54 PHE CA C 54 55.553 55.165 0.388 1
1 584 . 19 1 1 A 54 54 PHE HA H 54 5.173 5.045 0.128 1
1 585 . 19 1 1 A 54 54 PHE CB C 54 40.841 40.462 0.379 1
1 598 . 19 1 1 A 54 54 PHE C C 54 173.424 174.851 -1.427 1
1 599 . 19 1 1 A 55 55 PRO CA C 55 65.147 64.699 0.448 1
1 600 . 19 1 1 A 55 55 PRO HA H 55 4.591 4.569 0.022 1
1 601 . 19 1 1 A 55 55 PRO CB C 55 32.014 31.817 0.197 1
1 610 . 19 1 1 A 55 55 PRO C C 55 179.255 177.658 1.597 1
1 611 . 19 1 1 A 56 56 LYS N N 56 113.672 116.183 -2.511 1
1 612 . 19 1 1 A 56 56 LYS H H 56 8.639 8.880 -0.241 1
1 613 . 19 1 1 A 56 56 LYS CA C 56 56.918 58.819 -1.901 1
1 614 . 19 1 1 A 56 56 LYS HA H 56 4.384 4.184 0.200 1
1 615 . 19 1 1 A 56 56 LYS CB C 56 31.868 32.614 -0.746 1
1 627 . 19 1 1 A 56 56 LYS C C 56 178.220 179.101 -0.881 1
1 628 . 19 1 1 A 57 57 MET N N 57 116.692 119.182 -2.490 1
1 629 . 19 1 1 A 57 57 MET H H 57 8.099 8.283 -0.184 1
1 630 . 19 1 1 A 57 57 MET CA C 57 57.537 58.841 -1.304 1
1 631 . 19 1 1 A 57 57 MET HA H 57 4.260 4.093 0.167 1
1 632 . 19 1 1 A 57 57 MET CB C 57 35.400 32.550 2.850 1
1 642 . 19 1 1 A 57 57 MET C C 57 174.856 178.870 -4.014 1
1 643 . 19 1 1 A 58 58 VAL N N 58 114.727 119.339 -4.612 1
1 644 . 19 1 1 A 58 58 VAL H H 58 6.872 7.399 -0.527 1
1 645 . 19 1 1 A 58 58 VAL CA C 58 60.834 66.725 -5.891 1
1 646 . 19 1 1 A 58 58 VAL HA H 58 4.421 3.591 0.830 1
1 647 . 19 1 1 A 58 58 VAL CB C 58 36.223 31.581 4.642 1
1 657 . 19 1 1 A 58 58 VAL C C 58 173.747 176.182 -2.435 1
1 658 . 19 1 1 A 59 59 GLU N N 59 127.314 118.580 8.734 1
1 659 . 19 1 1 A 59 59 GLU H H 59 8.783 8.002 0.781 1
1 660 . 19 1 1 A 59 59 GLU CA C 59 54.465 57.534 -3.069 1
1 661 . 19 1 1 A 59 59 GLU HA H 59 4.671 4.093 0.578 1
1 662 . 19 1 1 A 59 59 GLU CB C 59 30.020 27.142 2.878 1
1 668 . 19 1 1 A 59 59 GLU C C 59 176.450 176.018 0.432 1
1 669 . 19 1 1 A 60 60 MET N N 60 122.273 117.772 4.501 1
1 670 . 19 1 1 A 60 60 MET H H 60 9.004 8.057 0.947 1
1 671 . 19 1 1 A 60 60 MET CA C 60 55.751 54.399 1.352 1
1 672 . 19 1 1 A 60 60 MET HA H 60 4.613 4.892 -0.279 1
1 673 . 19 1 1 A 60 60 MET CB C 60 29.356 30.822 -1.466 1
1 683 . 19 1 1 A 60 60 MET C C 60 178.387 175.844 2.543 1
1 684 . 19 1 1 A 61 61 HIS N N 61 115.823 119.318 -3.495 1
1 685 . 19 1 1 A 61 61 HIS H H 61 8.198 8.053 0.145 1
1 686 . 19 1 1 A 61 61 HIS CA C 61 57.963 57.300 0.663 1
1 687 . 19 1 1 A 61 61 HIS HA H 61 4.341 4.641 -0.300 1
1 688 . 19 1 1 A 61 61 HIS CB C 61 29.235 30.980 -1.745 1
1 695 . 19 1 1 A 61 61 HIS C C 61 175.800 175.855 -0.055 1
1 696 . 19 1 1 A 62 62 ASN N N 62 115.093 115.004 0.089 1
1 697 . 19 1 1 A 62 62 ASN H H 62 6.895 7.709 -0.814 1
1 698 . 19 1 1 A 62 62 ASN CA C 62 54.503 55.410 -0.907 1
1 699 . 19 1 1 A 62 62 ASN HA H 62 3.872 4.560 -0.688 1
1 700 . 19 1 1 A 62 62 ASN CB C 62 38.749 38.673 0.076 1
1 706 . 19 1 1 A 62 62 ASN C C 62 173.014 176.059 -3.045 1
1 707 . 19 1 1 A 63 63 TYR N N 63 118.560 118.402 0.158 1
1 708 . 19 1 1 A 63 63 TYR H H 63 7.255 7.343 -0.088 1
1 709 . 19 1 1 A 63 63 TYR CA C 63 56.311 59.148 -2.837 1
1 710 . 19 1 1 A 63 63 TYR HA H 63 4.481 4.581 -0.100 1
1 711 . 19 1 1 A 63 63 TYR CB C 63 39.138 39.267 -0.129 1
1 722 . 19 1 1 A 63 63 TYR C C 63 173.223 176.181 -2.958 1
1 723 . 19 1 1 A 64 64 VAL N N 64 122.318 122.147 0.171 1
1 724 . 19 1 1 A 64 64 VAL H H 64 7.750 8.653 -0.903 1
1 725 . 19 1 1 A 64 64 VAL CA C 64 58.601 59.017 -0.416 1
1 726 . 19 1 1 A 64 64 VAL HA H 64 4.469 4.680 -0.211 1
1 727 . 19 1 1 A 64 64 VAL CB C 64 33.747 35.448 -1.701 1
1 737 . 19 1 1 A 64 64 VAL C C 64 173.983 174.002 -0.019 1
1 738 . 19 1 1 A 65 65 PRO CA C 65 63.212 62.378 0.834 1
1 739 . 19 1 1 A 65 65 PRO HA H 65 4.348 4.742 -0.394 1
1 740 . 19 1 1 A 65 65 PRO CB C 65 31.279 31.750 -0.471 1
1 749 . 19 1 1 A 65 65 PRO C C 65 176.821 176.445 0.376 1
1 750 . 19 1 1 A 66 66 ALA N N 66 125.896 125.588 0.308 1
1 751 . 19 1 1 A 66 66 ALA H H 66 8.563 8.408 0.155 1
1 752 . 19 1 1 A 66 66 ALA CA C 66 52.003 51.102 0.901 1
1 753 . 19 1 1 A 66 66 ALA HA H 66 4.651 4.698 -0.047 1
1 754 . 19 1 1 A 66 66 ALA CB C 66 24.137 21.612 2.525 1
1 758 . 19 1 1 A 66 66 ALA C C 66 176.244 176.792 -0.548 1
1 759 . 19 1 1 A 67 67 ASN CA C 67 52.862 54.701 -1.839 1
1 760 . 19 1 1 A 67 67 ASN HA H 67 4.988 4.842 0.146 1
1 761 . 19 1 1 A 67 67 ASN CB C 67 40.168 39.997 0.171 1
1 767 . 19 1 1 A 67 67 ASN C C 67 174.896 175.566 -0.670 1
1 768 . 19 1 1 A 68 68 SER N N 68 114.553 114.434 0.119 1
1 769 . 19 1 1 A 68 68 SER H H 68 7.777 7.616 0.161 1
1 770 . 19 1 1 A 68 68 SER CA C 68 56.741 58.234 -1.493 1
1 771 . 19 1 1 A 68 68 SER HA H 68 4.737 4.480 0.257 1
1 772 . 19 1 1 A 68 68 SER CB C 68 65.267 64.295 0.972 1
1 775 . 19 1 1 A 68 68 SER C C 68 174.542 174.241 0.301 1
1 776 . 19 1 1 A 69 69 LEU CA C 69 59.000 57.508 1.492 1
1 777 . 19 1 1 A 69 69 LEU HA H 69 3.961 4.224 -0.263 1
1 778 . 19 1 1 A 69 69 LEU CB C 69 41.679 42.621 -0.942 1
1 791 . 19 1 1 A 69 69 LEU C C 69 178.629 178.103 0.526 1
1 792 . 19 1 1 A 70 70 GLN N N 70 115.924 118.503 -2.579 1
1 793 . 19 1 1 A 70 70 GLN H H 70 8.785 8.196 0.589 1
1 794 . 19 1 1 A 70 70 GLN CA C 70 59.728 59.417 0.311 1
1 795 . 19 1 1 A 70 70 GLN HA H 70 3.977 3.996 -0.019 1
1 796 . 19 1 1 A 70 70 GLN CB C 70 27.912 28.775 -0.863 1
1 805 . 19 1 1 A 70 70 GLN C C 70 178.954 177.783 1.171 1
1 806 . 19 1 1 A 71 71 GLN N N 71 118.694 118.844 -0.150 1
1 807 . 19 1 1 A 71 71 GLN H H 71 7.780 7.983 -0.203 1
1 808 . 19 1 1 A 71 71 GLN CA C 71 58.233 59.148 -0.915 1
1 809 . 19 1 1 A 71 71 GLN HA H 71 4.219 3.996 0.223 1
1 810 . 19 1 1 A 71 71 GLN CB C 71 29.089 28.861 0.228 1
1 819 . 19 1 1 A 71 71 GLN C C 71 178.724 178.352 0.372 1
1 820 . 19 1 1 A 72 72 LYS N N 72 119.661 118.109 1.552 1
1 821 . 19 1 1 A 72 72 LYS H H 72 8.094 8.103 -0.009 1
1 822 . 19 1 1 A 72 72 LYS CA C 72 61.528 59.457 2.071 1
1 823 . 19 1 1 A 72 72 LYS HA H 72 4.206 4.049 0.157 1
1 824 . 19 1 1 A 72 72 LYS CB C 72 33.806 32.432 1.374 1
1 836 . 19 1 1 A 72 72 LYS C C 72 179.041 179.322 -0.281 1
1 837 . 19 1 1 A 73 73 LEU N N 73 117.098 120.919 -3.821 1
1 838 . 19 1 1 A 73 73 LEU H H 73 8.602 7.924 0.678 1
1 839 . 19 1 1 A 73 73 LEU CA C 73 58.118 57.988 0.130 1
1 840 . 19 1 1 A 73 73 LEU HA H 73 4.287 4.122 0.165 1
1 841 . 19 1 1 A 73 73 LEU CB C 73 40.831 41.663 -0.832 1
1 854 . 19 1 1 A 73 73 LEU C C 73 180.838 179.143 1.695 1
1 855 . 19 1 1 A 74 74 SER N N 74 118.060 113.958 4.102 1
1 856 . 19 1 1 A 74 74 SER H H 74 8.334 8.071 0.263 1
1 857 . 19 1 1 A 74 74 SER CA C 74 61.971 61.739 0.232 1
1 858 . 19 1 1 A 74 74 SER HA H 74 4.431 4.123 0.308 1
1 859 . 19 1 1 A 74 74 SER CB C 74 62.560 63.190 -0.630 1
1 862 . 19 1 1 A 74 74 SER C C 74 177.493 177.439 0.054 1
1 863 . 19 1 1 A 75 75 ASN N N 75 121.688 119.185 2.503 1
1 864 . 19 1 1 A 75 75 ASN H H 75 8.266 8.103 0.163 1
1 865 . 19 1 1 A 75 75 ASN CA C 75 56.090 56.644 -0.554 1
1 866 . 19 1 1 A 75 75 ASN HA H 75 4.739 4.605 0.134 1
1 867 . 19 1 1 A 75 75 ASN CB C 75 38.184 38.133 0.051 1
1 873 . 19 1 1 A 75 75 ASN C C 75 177.792 178.070 -0.278 1
1 874 . 19 1 1 A 76 76 TRP N N 76 118.943 120.456 -1.513 1
1 875 . 19 1 1 A 76 76 TRP H H 76 8.510 8.256 0.254 1
1 876 . 19 1 1 A 76 76 TRP CA C 76 62.294 59.337 2.957 1
1 877 . 19 1 1 A 76 76 TRP HA H 76 4.173 4.224 -0.051 1
1 878 . 19 1 1 A 76 76 TRP CB C 76 29.223 29.148 0.075 1
1 893 . 19 1 1 A 76 76 TRP C C 76 178.579 179.232 -0.653 1
1 894 . 19 1 1 A 77 77 GLY N N 77 107.789 107.677 0.112 1
1 895 . 19 1 1 A 77 77 GLY H H 77 8.954 8.597 0.357 1
1 896 . 19 1 1 A 77 77 GLY CA C 77 47.600 47.407 0.193 1
1 897 . 19 1 1 A 77 77 GLY HA2 H 77 4.122 3.873 0.249 1
1 898 . 19 1 1 A 77 77 GLY HA3 H 77 3.977 3.893 0.084 1
1 899 . 19 1 1 A 77 77 GLY C C 77 176.076 175.875 0.201 1
1 900 . 19 1 1 A 78 78 HIS N N 78 122.925 121.740 1.185 1
1 901 . 19 1 1 A 78 78 HIS H H 78 8.127 8.196 -0.069 1
1 902 . 19 1 1 A 78 78 HIS CA C 78 61.550 59.203 2.347 1
1 903 . 19 1 1 A 78 78 HIS HA H 78 4.206 4.262 -0.056 1
1 904 . 19 1 1 A 78 78 HIS CB C 78 30.794 30.358 0.436 1
1 911 . 19 1 1 A 78 78 HIS C C 78 177.572 177.353 0.219 1
1 912 . 19 1 1 A 79 79 LEU N N 79 120.009 120.549 -0.540 1
1 913 . 19 1 1 A 79 79 LEU H H 79 8.726 8.425 0.301 1
1 914 . 19 1 1 A 79 79 LEU CA C 79 58.252 57.461 0.791 1
1 915 . 19 1 1 A 79 79 LEU HA H 79 4.227 4.003 0.224 1
1 916 . 19 1 1 A 79 79 LEU CB C 79 43.075 41.379 1.696 1
1 929 . 19 1 1 A 79 79 LEU C C 79 181.067 178.500 2.567 1
1 930 . 19 1 1 A 80 80 ASN N N 80 119.257 117.506 1.751 1
1 931 . 19 1 1 A 80 80 ASN H H 80 9.270 7.873 1.397 1
1 932 . 19 1 1 A 80 80 ASN CA C 80 57.279 55.826 1.453 1
1 933 . 19 1 1 A 80 80 ASN HA H 80 4.595 4.612 -0.017 1
1 934 . 19 1 1 A 80 80 ASN CB C 80 40.403 38.896 1.507 1
1 940 . 19 1 1 A 80 80 ASN C C 80 177.177 176.550 0.627 1
1 941 . 19 1 1 A 81 81 ARG N N 81 115.731 117.060 -1.329 1
1 942 . 19 1 1 A 81 81 ARG H H 81 8.085 7.788 0.297 1
1 943 . 19 1 1 A 81 81 ARG CA C 81 59.249 55.929 3.320 1
1 944 . 19 1 1 A 81 81 ARG HA H 81 4.167 4.543 -0.376 1
1 945 . 19 1 1 A 81 81 ARG CB C 81 31.579 30.992 0.587 1
1 954 . 19 1 1 A 81 81 ARG C C 81 177.890 176.684 1.206 1
1 955 . 19 1 1 A 82 82 LYS N N 82 113.840 117.650 -3.810 1
1 956 . 19 1 1 A 82 82 LYS H H 82 8.691 7.868 0.823 1
1 957 . 19 1 1 A 82 82 LYS CA C 82 56.216 57.082 -0.866 1
1 958 . 19 1 1 A 82 82 LYS HA H 82 4.441 4.338 0.103 1
1 959 . 19 1 1 A 82 82 LYS CB C 82 32.964 33.612 -0.648 1
1 971 . 19 1 1 A 82 82 LYS C C 82 177.543 177.298 0.245 1
1 972 . 19 1 1 A 83 83 VAL N N 83 117.873 118.135 -0.262 1
1 973 . 19 1 1 A 83 83 VAL H H 83 7.786 7.870 -0.084 1
1 974 . 19 1 1 A 83 83 VAL CA C 83 64.939 64.210 0.729 1
1 975 . 19 1 1 A 83 83 VAL HA H 83 4.235 4.137 0.098 1
1 976 . 19 1 1 A 83 83 VAL CB C 83 34.046 32.188 1.858 1
1 986 . 19 1 1 A 83 83 VAL C C 83 176.945 177.774 -0.829 1
1 987 . 19 1 1 A 84 84 LEU N N 84 118.163 119.698 -1.535 1
1 988 . 19 1 1 A 84 84 LEU H H 84 9.200 8.229 0.971 1
1 989 . 19 1 1 A 84 84 LEU CA C 84 58.824 58.406 0.418 1
1 990 . 19 1 1 A 84 84 LEU HA H 84 3.898 3.930 -0.032 1
1 991 . 19 1 1 A 84 84 LEU CB C 84 38.418 41.773 -3.355 1
1 1004 . 19 1 1 A 84 84 LEU C C 84 179.874 178.923 0.951 1
1 1005 . 19 1 1 A 85 85 LYS N N 85 117.114 118.937 -1.823 1
1 1006 . 19 1 1 A 85 85 LYS H H 85 7.303 7.799 -0.496 1
1 1007 . 19 1 1 A 85 85 LYS CA C 85 59.436 59.791 -0.355 1
1 1008 . 19 1 1 A 85 85 LYS HA H 85 4.191 3.965 0.226 1
1 1009 . 19 1 1 A 85 85 LYS CB C 85 33.096 32.570 0.526 1
1 1021 . 19 1 1 A 85 85 LYS C C 85 180.286 178.924 1.362 1
1 1022 . 19 1 1 A 86 86 ARG N N 86 117.181 120.008 -2.827 1
1 1023 . 19 1 1 A 86 86 ARG H H 86 7.216 7.999 -0.783 1
1 1024 . 19 1 1 A 86 86 ARG CA C 86 57.924 58.681 -0.757 1
1 1025 . 19 1 1 A 86 86 ARG HA H 86 4.191 4.115 0.076 1
1 1026 . 19 1 1 A 86 86 ARG CB C 86 29.848 30.082 -0.234 1
1 1035 . 19 1 1 A 86 86 ARG C C 86 177.047 177.686 -0.639 1
1 1036 . 19 1 1 A 87 87 LEU N N 87 118.282 118.208 0.074 1
1 1037 . 19 1 1 A 87 87 LEU H H 87 7.584 8.088 -0.504 1
1 1038 . 19 1 1 A 87 87 LEU CA C 87 53.603 54.535 -0.932 1
1 1039 . 19 1 1 A 87 87 LEU HA H 87 4.339 4.396 -0.057 1
1 1040 . 19 1 1 A 87 87 LEU CB C 87 42.059 42.016 0.043 1
1 1053 . 19 1 1 A 87 87 LEU C C 87 175.182 175.799 -0.617 1
1 1054 . 19 1 1 A 88 88 ASN N N 88 115.016 115.357 -0.341 1
1 1055 . 19 1 1 A 88 88 ASN H H 88 7.932 8.196 -0.264 1
1 1056 . 19 1 1 A 88 88 ASN CA C 88 54.081 54.489 -0.408 1
1 1057 . 19 1 1 A 88 88 ASN HA H 88 4.384 4.357 0.027 1
1 1058 . 19 1 1 A 88 88 ASN CB C 88 36.809 37.042 -0.233 1
1 1064 . 19 1 1 A 88 88 ASN C C 88 173.426 173.549 -0.123 1
1 1065 . 19 1 1 A 89 89 PHE N N 89 119.795 118.929 0.866 1
1 1066 . 19 1 1 A 89 89 PHE H H 89 7.739 8.081 -0.342 1
1 1067 . 19 1 1 A 89 89 PHE CA C 89 56.231 57.118 -0.887 1
1 1068 . 19 1 1 A 89 89 PHE HA H 89 4.887 4.981 -0.094 1
1 1069 . 19 1 1 A 89 89 PHE CB C 89 43.188 42.173 1.015 1
1 1082 . 19 1 1 A 89 89 PHE C C 89 172.386 174.067 -1.681 1
1 1083 . 19 1 1 A 90 90 SER N N 90 117.020 123.086 -6.066 1
1 1084 . 19 1 1 A 90 90 SER H H 90 7.301 8.526 -1.225 1
1 1085 . 19 1 1 A 90 90 SER CA C 90 56.762 56.722 0.040 1
1 1086 . 19 1 1 A 90 90 SER HA H 90 4.667 5.413 -0.746 1
1 1087 . 19 1 1 A 90 90 SER CB C 90 64.885 65.734 -0.849 1
1 1090 . 19 1 1 A 90 90 SER C C 90 172.726 172.890 -0.164 1
1 1091 . 19 1 1 A 91 91 VAL N N 91 126.604 124.562 2.042 1
1 1092 . 19 1 1 A 91 91 VAL H H 91 8.959 9.014 -0.055 1
1 1093 . 19 1 1 A 91 91 VAL CA C 91 59.173 59.007 0.166 1
1 1094 . 19 1 1 A 91 91 VAL HA H 91 4.336 4.608 -0.272 1
1 1095 . 19 1 1 A 91 91 VAL CB C 91 33.703 35.672 -1.969 1
1 1105 . 19 1 1 A 91 91 VAL C C 91 173.886 173.516 0.370 1
1 1106 . 19 1 1 A 92 92 PRO CA C 92 62.618 62.355 0.263 1
1 1107 . 19 1 1 A 92 92 PRO HA H 92 4.481 4.660 -0.179 1
1 1108 . 19 1 1 A 92 92 PRO CB C 92 33.302 33.467 -0.165 1
1 1117 . 19 1 1 A 92 92 PRO C C 92 177.410 176.504 0.906 1
1 1118 . 19 1 1 A 93 93 ASP N N 93 123.319 121.584 1.735 1
1 1119 . 19 1 1 A 93 93 ASP H H 93 8.854 8.978 -0.124 1
1 1120 . 19 1 1 A 93 93 ASP CA C 93 58.347 56.968 1.379 1
1 1121 . 19 1 1 A 93 93 ASP HA H 93 4.298 4.360 -0.062 1
1 1122 . 19 1 1 A 93 93 ASP CB C 93 40.916 41.115 -0.199 1
1 1125 . 19 1 1 A 93 93 ASP C C 93 178.221 177.512 0.709 1
1 1126 . 19 1 1 A 94 94 ASP N N 94 116.740 118.587 -1.847 1
1 1127 . 19 1 1 A 94 94 ASP H H 94 8.955 8.410 0.545 1
1 1128 . 19 1 1 A 94 94 ASP CA C 94 56.851 56.782 0.069 1
1 1129 . 19 1 1 A 94 94 ASP HA H 94 4.222 4.410 -0.188 1
1 1130 . 19 1 1 A 94 94 ASP CB C 94 39.733 40.347 -0.614 1
1 1133 . 19 1 1 A 94 94 ASP C C 94 178.344 178.436 -0.092 1
1 1134 . 19 1 1 A 95 95 VAL N N 95 121.559 119.758 1.801 1
1 1135 . 19 1 1 A 95 95 VAL H H 95 6.935 8.155 -1.220 1
1 1136 . 19 1 1 A 95 95 VAL CA C 95 66.007 66.475 -0.468 1
1 1137 . 19 1 1 A 95 95 VAL HA H 95 3.378 3.461 -0.083 1
1 1138 . 19 1 1 A 95 95 VAL CB C 95 31.712 31.796 -0.084 1
1 1148 . 19 1 1 A 95 95 VAL C C 95 177.153 177.889 -0.736 1
1 1149 . 19 1 1 A 96 96 MET N N 96 118.492 117.515 0.977 1
1 1150 . 19 1 1 A 96 96 MET H H 96 7.993 7.775 0.218 1
1 1151 . 19 1 1 A 96 96 MET CA C 96 60.318 58.998 1.320 1
1 1152 . 19 1 1 A 96 96 MET HA H 96 3.037 3.727 -0.690 1
1 1153 . 19 1 1 A 96 96 MET CB C 96 33.348 32.636 0.712 1
1 1163 . 19 1 1 A 96 96 MET C C 96 176.993 178.737 -1.744 1
1 1164 . 19 1 1 A 97 97 ARG N N 97 116.593 118.708 -2.115 1
1 1165 . 19 1 1 A 97 97 ARG H H 97 7.668 8.078 -0.410 1
1 1166 . 19 1 1 A 97 97 ARG CA C 97 60.372 59.623 0.749 1
1 1167 . 19 1 1 A 97 97 ARG HA H 97 3.772 4.002 -0.230 1
1 1168 . 19 1 1 A 97 97 ARG CB C 97 29.627 29.839 -0.212 1
1 1177 . 19 1 1 A 97 97 ARG C C 97 177.718 178.911 -1.193 1
1 1178 . 19 1 1 A 98 98 LYS N N 98 118.000 119.279 -1.279 1
1 1179 . 19 1 1 A 98 98 LYS H H 98 7.279 7.618 -0.339 1
1 1180 . 19 1 1 A 98 98 LYS CA C 98 59.942 59.190 0.752 1
1 1181 . 19 1 1 A 98 98 LYS HA H 98 4.035 4.029 0.006 1
1 1182 . 19 1 1 A 98 98 LYS CB C 98 33.307 32.319 0.988 1
1 1194 . 19 1 1 A 98 98 LYS C C 98 178.861 179.017 -0.156 1
1 1195 . 19 1 1 A 99 99 ILE N N 99 119.736 120.951 -1.215 1
1 1196 . 19 1 1 A 99 99 ILE H H 99 8.298 8.015 0.283 1
1 1197 . 19 1 1 A 99 99 ILE CA C 99 65.451 65.207 0.244 1
1 1198 . 19 1 1 A 99 99 ILE HA H 99 3.473 3.560 -0.087 1
1 1199 . 19 1 1 A 99 99 ILE CB C 99 38.088 37.422 0.666 1
1 1212 . 19 1 1 A 99 99 ILE C C 99 181.472 178.106 3.366 1
1 1213 . 19 1 1 A 100 100 ALA N N 100 124.832 121.582 3.250 1
1 1214 . 19 1 1 A 100 100 ALA H H 100 8.473 7.725 0.748 1
1 1215 . 19 1 1 A 100 100 ALA CA C 100 54.623 54.239 0.384 1
1 1216 . 19 1 1 A 100 100 ALA HA H 100 4.481 4.137 0.344 1
1 1217 . 19 1 1 A 100 100 ALA CB C 100 19.106 18.250 0.856 1
1 1221 . 19 1 1 A 100 100 ALA C C 100 177.755 178.553 -0.798 1
1 1222 . 19 1 1 A 101 101 GLN N N 101 113.891 115.348 -1.457 1
1 1223 . 19 1 1 A 101 101 GLN H H 101 7.665 7.782 -0.117 1
1 1224 . 19 1 1 A 101 101 GLN CA C 101 55.681 55.316 0.365 1
1 1225 . 19 1 1 A 101 101 GLN HA H 101 4.378 4.464 -0.086 1
1 1226 . 19 1 1 A 101 101 GLN CB C 101 28.879 28.542 0.337 1
1 1235 . 19 1 1 A 101 101 GLN C C 101 175.604 174.688 0.916 1
1 1236 . 19 1 1 A 102 102 CYS N N 102 114.274 115.974 -1.700 1
1 1237 . 19 1 1 A 102 102 CYS H H 102 8.300 8.363 -0.063 1
1 1238 . 19 1 1 A 102 102 CYS CA C 102 58.700 60.532 -1.832 1
1 1239 . 19 1 1 A 102 102 CYS HA H 102 4.030 4.259 -0.229 1
1 1240 . 19 1 1 A 102 102 CYS CB C 102 24.987 25.888 -0.901 1
1 1243 . 19 1 1 A 102 102 CYS C C 102 174.186 173.654 0.532 1
1 1244 . 19 1 1 A 103 103 ALA N N 103 123.512 122.241 1.271 1
1 1245 . 19 1 1 A 103 103 ALA H H 103 8.175 7.541 0.634 1
1 1246 . 19 1 1 A 103 103 ALA CA C 103 50.841 49.465 1.376 1
1 1247 . 19 1 1 A 103 103 ALA HA H 103 4.458 4.571 -0.113 1
1 1248 . 19 1 1 A 103 103 ALA CB C 103 18.353 20.036 -1.683 1
1 1252 . 19 1 1 A 103 103 ALA C C 103 175.904 176.152 -0.248 1
1 1253 . 19 1 1 A 104 104 PRO CA C 104 64.290 63.740 0.550 1
1 1254 . 19 1 1 A 104 104 PRO HA H 104 4.315 4.328 -0.013 1
1 1255 . 19 1 1 A 104 104 PRO CB C 104 32.028 31.623 0.405 1
1 1264 . 19 1 1 A 104 104 PRO C C 104 178.173 177.516 0.657 1
1 1265 . 19 1 1 A 105 105 GLY N N 105 113.466 111.643 1.823 1
1 1266 . 19 1 1 A 105 105 GLY H H 105 9.036 8.344 0.692 1
1 1267 . 19 1 1 A 105 105 GLY CA C 105 45.935 45.524 0.411 1
1 1268 . 19 1 1 A 105 105 GLY HA2 H 105 4.044 3.875 0.169 1
1 1269 . 19 1 1 A 105 105 GLY HA3 H 105 3.832 3.883 -0.051 1
1 1270 . 19 1 1 A 105 105 GLY C C 105 174.928 175.140 -0.212 1
1 1271 . 19 1 1 A 106 106 VAL N N 106 117.991 120.492 -2.501 1
1 1272 . 19 1 1 A 106 106 VAL H H 106 6.964 7.492 -0.528 1
1 1273 . 19 1 1 A 106 106 VAL CA C 106 66.071 65.451 0.620 1
1 1274 . 19 1 1 A 106 106 VAL HA H 106 3.842 3.716 0.126 1
1 1275 . 19 1 1 A 106 106 VAL CB C 106 31.337 31.243 0.094 1
1 1285 . 19 1 1 A 106 106 VAL C C 106 178.061 177.778 0.283 1
1 1286 . 19 1 1 A 107 107 VAL N N 107 121.474 120.610 0.864 1
1 1287 . 19 1 1 A 107 107 VAL H H 107 9.039 8.065 0.974 1
1 1288 . 19 1 1 A 107 107 VAL CA C 107 65.971 65.430 0.541 1
1 1289 . 19 1 1 A 107 107 VAL HA H 107 3.743 3.622 0.121 1
1 1290 . 19 1 1 A 107 107 VAL CB C 107 30.959 31.204 -0.245 1
1 1300 . 19 1 1 A 107 107 VAL C C 107 177.629 177.536 0.093 1
1 1301 . 19 1 1 A 108 108 GLU N N 108 126.242 122.335 3.907 1
1 1302 . 19 1 1 A 108 108 GLU H H 108 11.107 8.328 2.779 1
1 1303 . 19 1 1 A 108 108 GLU CA C 108 62.429 59.430 2.999 1
1 1304 . 19 1 1 A 108 108 GLU HA H 108 3.584 3.902 -0.318 1
1 1305 . 19 1 1 A 108 108 GLU CB C 108 28.863 29.215 -0.352 1
1 1311 . 19 1 1 A 108 108 GLU C C 108 176.878 178.939 -2.061 1
1 1312 . 19 1 1 A 109 109 LEU N N 109 114.111 120.194 -6.083 1
1 1313 . 19 1 1 A 109 109 LEU H H 109 7.474 7.868 -0.394 1
1 1314 . 19 1 1 A 109 109 LEU CA C 109 56.293 57.839 -1.546 1
1 1315 . 19 1 1 A 109 109 LEU HA H 109 4.024 3.994 0.030 1
1 1316 . 19 1 1 A 109 109 LEU CB C 109 40.846 41.699 -0.853 1
1 1329 . 19 1 1 A 109 109 LEU C C 109 178.647 179.014 -0.367 1
1 1330 . 19 1 1 A 110 110 VAL N N 110 116.984 119.070 -2.086 1
1 1331 . 19 1 1 A 110 110 VAL H H 110 7.557 7.634 -0.077 1
1 1332 . 19 1 1 A 110 110 VAL CA C 110 64.274 65.213 -0.939 1
1 1333 . 19 1 1 A 110 110 VAL HA H 110 4.206 3.982 0.224 1
1 1334 . 19 1 1 A 110 110 VAL CB C 110 33.070 31.351 1.719 1
1 1344 . 19 1 1 A 110 110 VAL C C 110 176.435 178.118 -1.683 1
1 1345 . 19 1 1 A 111 111 LEU N N 111 118.461 119.478 -1.017 1
1 1346 . 19 1 1 A 111 111 LEU H H 111 8.453 8.415 0.038 1
1 1347 . 19 1 1 A 111 111 LEU CA C 111 58.047 57.721 0.326 1
1 1348 . 19 1 1 A 111 111 LEU HA H 111 4.003 4.130 -0.127 1
1 1349 . 19 1 1 A 111 111 LEU CB C 111 43.552 41.301 2.251 1
1 1362 . 19 1 1 A 111 111 LEU C C 111 177.274 179.210 -1.936 1
1 1363 . 19 1 1 A 112 112 ILE N N 112 115.835 119.877 -4.042 1
1 1364 . 19 1 1 A 112 112 ILE H H 112 7.850 8.088 -0.238 1
1 1365 . 19 1 1 A 112 112 ILE CA C 112 67.843 66.497 1.346 1
1 1366 . 19 1 1 A 112 112 ILE HA H 112 3.636 3.582 0.054 1
1 1367 . 19 1 1 A 112 112 ILE CB C 112 36.504 35.947 0.557 1
1 1380 . 19 1 1 A 112 112 ILE C C 112 176.487 175.106 1.381 1
1 1381 . 19 1 1 A 113 113 PRO CA C 113 64.872 65.690 -0.818 1
1 1382 . 19 1 1 A 113 113 PRO HA H 113 4.420 4.306 0.114 1
1 1383 . 19 1 1 A 113 113 PRO CB C 113 30.348 30.841 -0.493 1
1 1392 . 19 1 1 A 113 113 PRO C C 113 179.001 178.722 0.279 1
1 1393 . 19 1 1 A 114 114 LEU N N 114 120.690 118.265 2.425 1
1 1394 . 19 1 1 A 114 114 LEU H H 114 7.672 7.631 0.041 1
1 1395 . 19 1 1 A 114 114 LEU CA C 114 58.337 58.007 0.330 1
1 1396 . 19 1 1 A 114 114 LEU HA H 114 3.490 3.889 -0.399 1
1 1397 . 19 1 1 A 114 114 LEU CB C 114 41.840 41.962 -0.122 1
1 1410 . 19 1 1 A 114 114 LEU C C 114 177.486 178.319 -0.833 1
1 1411 . 19 1 1 A 115 115 ARG N N 115 119.039 118.881 0.158 1
1 1412 . 19 1 1 A 115 115 ARG H H 115 8.159 7.508 0.651 1
1 1413 . 19 1 1 A 115 115 ARG CA C 115 60.199 59.505 0.694 1
1 1414 . 19 1 1 A 115 115 ARG HA H 115 3.215 3.594 -0.379 1
1 1415 . 19 1 1 A 115 115 ARG CB C 115 28.049 29.427 -1.378 1
1 1426 . 19 1 1 A 115 115 ARG C C 115 177.460 178.046 -0.586 1
1 1427 . 19 1 1 A 116 116 GLN N N 116 115.221 117.420 -2.199 1
1 1428 . 19 1 1 A 116 116 GLN H H 116 6.825 8.049 -1.224 1
1 1429 . 19 1 1 A 116 116 GLN CA C 116 58.838 59.309 -0.471 1
1 1430 . 19 1 1 A 116 116 GLN HA H 116 3.830 3.849 -0.019 1
1 1431 . 19 1 1 A 116 116 GLN CB C 116 27.871 28.056 -0.185 1
1 1440 . 19 1 1 A 116 116 GLN C C 116 178.648 178.631 0.017 1
1 1441 . 19 1 1 A 117 117 ARG N N 117 118.476 119.687 -1.211 1
1 1442 . 19 1 1 A 117 117 ARG H H 117 8.028 7.950 0.078 1
1 1443 . 19 1 1 A 117 117 ARG CA C 117 57.607 59.064 -1.457 1
1 1444 . 19 1 1 A 117 117 ARG HA H 117 4.117 4.069 0.048 1
1 1445 . 19 1 1 A 117 117 ARG CB C 117 30.040 30.125 -0.085 1
1 1454 . 19 1 1 A 117 117 ARG C C 117 179.370 178.606 0.764 1
1 1455 . 19 1 1 A 118 118 LEU N N 118 120.407 119.858 0.549 1
1 1456 . 19 1 1 A 118 118 LEU H H 118 8.533 8.186 0.347 1
1 1457 . 19 1 1 A 118 118 LEU CA C 118 58.295 57.976 0.319 1
1 1458 . 19 1 1 A 118 118 LEU HA H 118 3.950 3.991 -0.041 1
1 1459 . 19 1 1 A 118 118 LEU CB C 118 40.472 41.318 -0.846 1
1 1472 . 19 1 1 A 118 118 LEU C C 118 178.577 179.691 -1.114 1
1 1473 . 19 1 1 A 119 119 GLU N N 119 116.858 118.708 -1.850 1
1 1474 . 19 1 1 A 119 119 GLU H H 119 8.220 8.528 -0.308 1
1 1475 . 19 1 1 A 119 119 GLU CA C 119 59.441 59.613 -0.172 1
1 1476 . 19 1 1 A 119 119 GLU HA H 119 4.047 4.089 -0.042 1
1 1477 . 19 1 1 A 119 119 GLU CB C 119 29.271 29.183 0.088 1
1 1483 . 19 1 1 A 119 119 GLU C C 119 179.631 179.611 0.020 1
1 1484 . 19 1 1 A 120 120 GLU N N 120 119.797 120.679 -0.882 1
1 1485 . 19 1 1 A 120 120 GLU H H 120 8.199 8.037 0.162 1
1 1486 . 19 1 1 A 120 120 GLU CA C 120 59.223 59.151 0.072 1
1 1487 . 19 1 1 A 120 120 GLU HA H 120 4.062 4.159 -0.097 1
1 1488 . 19 1 1 A 120 120 GLU CB C 120 29.562 29.492 0.070 1
1 1494 . 19 1 1 A 120 120 GLU C C 120 178.823 179.132 -0.309 1
1 1495 . 19 1 1 A 121 121 ARG N N 121 118.760 119.933 -1.173 1
1 1496 . 19 1 1 A 121 121 ARG H H 121 7.928 8.508 -0.580 1
1 1497 . 19 1 1 A 121 121 ARG CA C 121 58.065 59.850 -1.785 1
1 1498 . 19 1 1 A 121 121 ARG HA H 121 4.136 4.194 -0.058 1
1 1499 . 19 1 1 A 121 121 ARG CB C 121 29.478 30.191 -0.713 1
1 1508 . 19 1 1 A 121 121 ARG C C 121 178.426 178.932 -0.506 1
1 1509 . 19 1 1 A 122 122 GLN N N 122 119.430 119.675 -0.245 1
1 1510 . 19 1 1 A 122 122 GLN H H 122 8.323 8.117 0.206 1
1 1511 . 19 1 1 A 122 122 GLN CA C 122 58.489 59.095 -0.606 1
1 1512 . 19 1 1 A 122 122 GLN HA H 122 4.352 4.162 0.190 1
1 1513 . 19 1 1 A 122 122 GLN CB C 122 29.611 28.637 0.974 1
1 1522 . 19 1 1 A 122 122 GLN C C 122 177.291 177.811 -0.520 1
1 1523 . 19 1 1 A 123 123 ARG N N 123 118.341 117.666 0.675 1
1 1524 . 19 1 1 A 123 123 ARG H H 123 7.920 7.981 -0.061 1
1 1525 . 19 1 1 A 123 123 ARG CA C 123 57.695 59.129 -1.434 1
1 1526 . 19 1 1 A 123 123 ARG HA H 123 4.266 4.151 0.115 1
1 1527 . 19 1 1 A 123 123 ARG CB C 123 30.671 30.176 0.495 1
1 1536 . 19 1 1 A 123 123 ARG C C 123 177.214 176.988 0.226 1
1 1537 . 19 1 1 A 124 124 ARG N N 124 119.452 120.474 -1.022 1
1 1538 . 19 1 1 A 124 124 ARG H H 124 7.850 7.955 -0.105 1
1 1539 . 19 1 1 A 124 124 ARG CA C 124 56.814 56.647 0.167 1
1 1540 . 19 1 1 A 124 124 ARG HA H 124 4.300 4.434 -0.134 1
1 1541 . 19 1 1 A 124 124 ARG CB C 124 30.672 31.282 -0.610 1
1 1550 . 19 1 1 A 124 124 ARG C C 124 176.540 175.836 0.704 1
1 1551 . 19 1 1 A 125 125 ARG N N 125 120.963 119.547 1.416 1
1 1552 . 19 1 1 A 125 125 ARG H H 125 8.081 8.438 -0.357 1
1 1553 . 19 1 1 A 125 125 ARG CA C 125 56.514 54.013 2.501 1
1 1554 . 19 1 1 A 125 125 ARG HA H 125 4.355 5.004 -0.649 1
1 1555 . 19 1 1 A 125 125 ARG CB C 125 30.694 33.186 -2.492 1
1 1564 . 19 1 1 A 125 125 ARG C C 125 176.133 175.682 0.451 1
1 1565 . 19 1 1 A 126 126 LYS N N 126 122.811 118.000 4.811 1
1 1566 . 19 1 1 A 126 126 LYS H H 126 8.252 8.414 -0.162 1
1 1567 . 19 1 1 A 126 126 LYS CA C 126 56.430 55.859 0.571 1
1 1568 . 19 1 1 A 126 126 LYS HA H 126 4.351 4.735 -0.384 1
1 1569 . 19 1 1 A 126 126 LYS CB C 126 33.017 33.256 -0.239 1
1 1581 . 19 1 1 A 126 126 LYS C C 126 175.649 176.968 -1.319 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.715 56.868 1.847 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.472 5.344 -0.872 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.934 66.241 -2.307 1
1 6 . 20 1 1 A 6 6 SER C C 6 174.927 173.130 1.797 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.435 112.298 -1.863 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.348 8.404 -0.056 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.364 46.243 -0.879 1
1 10 . 20 1 1 A 7 7 GLY HA2 H 7 3.919 4.262 -0.343 1
1 11 . 20 1 1 A 7 7 GLY HA3 H 7 3.919 4.262 -0.343 1
1 12 . 20 1 1 A 7 7 GLY C C 7 173.952 171.688 2.264 1
1 13 . 20 1 1 A 8 8 MET N N 8 119.481 122.325 -2.844 1
1 14 . 20 1 1 A 8 8 MET H H 8 8.163 8.367 -0.204 1
1 15 . 20 1 1 A 8 8 MET CA C 8 55.472 54.056 1.416 1
1 16 . 20 1 1 A 8 8 MET HA H 8 4.486 5.084 -0.598 1
1 17 . 20 1 1 A 8 8 MET CB C 8 33.598 34.600 -1.002 1
1 27 . 20 1 1 A 8 8 MET C C 8 176.019 175.824 0.195 1
1 28 . 20 1 1 A 9 9 ALA N N 9 125.433 125.871 -0.438 1
1 29 . 20 1 1 A 9 9 ALA H H 9 8.436 8.352 0.084 1
1 30 . 20 1 1 A 9 9 ALA CA C 9 52.481 52.678 -0.197 1
1 31 . 20 1 1 A 9 9 ALA HA H 9 4.381 4.232 0.149 1
1 32 . 20 1 1 A 9 9 ALA CB C 9 19.322 19.161 0.161 1
1 36 . 20 1 1 A 9 9 ALA C C 9 177.349 177.231 0.118 1
1 37 . 20 1 1 A 10 10 SER N N 10 114.383 117.636 -3.253 1
1 38 . 20 1 1 A 10 10 SER H H 10 8.372 8.626 -0.254 1
1 39 . 20 1 1 A 10 10 SER CA C 10 58.607 58.005 0.602 1
1 40 . 20 1 1 A 10 10 SER HA H 10 4.470 4.766 -0.296 1
1 41 . 20 1 1 A 10 10 SER CB C 10 63.979 63.786 0.193 1
1 44 . 20 1 1 A 10 10 SER C C 10 174.323 173.859 0.464 1
1 45 . 20 1 1 A 11 11 SER N N 11 116.549 121.145 -4.596 1
1 46 . 20 1 1 A 11 11 SER H H 11 8.111 8.750 -0.639 1
1 47 . 20 1 1 A 11 11 SER CA C 11 58.189 57.636 0.553 1
1 48 . 20 1 1 A 11 11 SER HA H 11 4.487 4.519 -0.032 1
1 49 . 20 1 1 A 11 11 SER CB C 11 64.081 64.123 -0.042 1
1 52 . 20 1 1 A 11 11 SER C C 11 173.692 175.077 -1.385 1
1 53 . 20 1 1 A 12 12 VAL N N 12 120.502 120.221 0.281 1
1 54 . 20 1 1 A 12 12 VAL H H 12 8.207 8.504 -0.297 1
1 55 . 20 1 1 A 12 12 VAL CA C 12 61.847 63.123 -1.276 1
1 56 . 20 1 1 A 12 12 VAL HA H 12 4.150 3.657 0.493 1
1 57 . 20 1 1 A 12 12 VAL CB C 12 33.269 29.520 3.749 1
1 67 . 20 1 1 A 12 12 VAL C C 12 174.930 174.676 0.254 1
1 68 . 20 1 1 A 13 13 ASP N N 13 124.104 121.122 2.982 1
1 69 . 20 1 1 A 13 13 ASP H H 13 7.953 7.966 -0.013 1
1 70 . 20 1 1 A 13 13 ASP CA C 13 53.249 54.311 -1.062 1
1 71 . 20 1 1 A 13 13 ASP HA H 13 4.661 4.568 0.093 1
1 72 . 20 1 1 A 13 13 ASP CB C 13 41.891 42.492 -0.601 1
1 75 . 20 1 1 A 13 13 ASP C C 13 176.009 177.493 -1.484 1
1 76 . 20 1 1 A 14 14 GLU N N 14 120.197 122.285 -2.088 1
1 77 . 20 1 1 A 14 14 GLU H H 14 8.568 9.121 -0.553 1
1 78 . 20 1 1 A 14 14 GLU CA C 14 59.932 59.145 0.787 1
1 79 . 20 1 1 A 14 14 GLU HA H 14 3.944 4.097 -0.153 1
1 80 . 20 1 1 A 14 14 GLU CB C 14 29.670 29.057 0.613 1
1 86 . 20 1 1 A 14 14 GLU C C 14 178.863 179.081 -0.218 1
1 87 . 20 1 1 A 15 15 GLU N N 15 120.713 120.253 0.460 1
1 88 . 20 1 1 A 15 15 GLU H H 15 8.312 8.225 0.087 1
1 89 . 20 1 1 A 15 15 GLU CA C 15 59.101 59.458 -0.357 1
1 90 . 20 1 1 A 15 15 GLU HA H 15 4.244 4.170 0.074 1
1 91 . 20 1 1 A 15 15 GLU CB C 15 28.917 29.639 -0.722 1
1 97 . 20 1 1 A 15 15 GLU C C 15 178.511 178.211 0.300 1
1 98 . 20 1 1 A 16 16 ALA N N 16 123.041 121.897 1.144 1
1 99 . 20 1 1 A 16 16 ALA H H 16 8.047 8.098 -0.051 1
1 100 . 20 1 1 A 16 16 ALA CA C 16 54.830 55.209 -0.379 1
1 101 . 20 1 1 A 16 16 ALA HA H 16 4.093 4.081 0.012 1
1 102 . 20 1 1 A 16 16 ALA CB C 16 18.371 18.511 -0.140 1
1 106 . 20 1 1 A 16 16 ALA C C 16 181.428 180.037 1.391 1
1 107 . 20 1 1 A 17 17 LEU N N 17 119.436 118.144 1.292 1
1 108 . 20 1 1 A 17 17 LEU H H 17 8.042 7.778 0.264 1
1 109 . 20 1 1 A 17 17 LEU CA C 17 57.623 57.877 -0.254 1
1 110 . 20 1 1 A 17 17 LEU HA H 17 3.838 3.867 -0.029 1
1 111 . 20 1 1 A 17 17 LEU CB C 17 41.323 42.525 -1.202 1
1 124 . 20 1 1 A 17 17 LEU C C 17 177.590 178.984 -1.394 1
1 125 . 20 1 1 A 18 18 HIS N N 18 118.394 117.818 0.576 1
1 126 . 20 1 1 A 18 18 HIS H H 18 8.182 8.135 0.047 1
1 127 . 20 1 1 A 18 18 HIS CA C 18 59.415 60.093 -0.678 1
1 128 . 20 1 1 A 18 18 HIS HA H 18 4.435 4.202 0.233 1
1 129 . 20 1 1 A 18 18 HIS CB C 18 29.560 29.902 -0.342 1
1 136 . 20 1 1 A 18 18 HIS C C 18 178.114 176.734 1.380 1
1 137 . 20 1 1 A 19 19 GLN N N 19 115.623 117.236 -1.613 1
1 138 . 20 1 1 A 19 19 GLN H H 19 8.178 8.342 -0.164 1
1 139 . 20 1 1 A 19 19 GLN CA C 19 58.406 59.165 -0.759 1
1 140 . 20 1 1 A 19 19 GLN HA H 19 3.904 3.767 0.137 1
1 141 . 20 1 1 A 19 19 GLN CB C 19 28.118 28.135 -0.017 1
1 150 . 20 1 1 A 19 19 GLN C C 19 179.132 178.386 0.746 1
1 151 . 20 1 1 A 20 20 LEU N N 20 122.817 121.265 1.552 1
1 152 . 20 1 1 A 20 20 LEU H H 20 7.949 7.996 -0.047 1
1 153 . 20 1 1 A 20 20 LEU CA C 20 58.278 57.699 0.579 1
1 154 . 20 1 1 A 20 20 LEU HA H 20 4.233 4.090 0.143 1
1 155 . 20 1 1 A 20 20 LEU CB C 20 40.850 41.479 -0.629 1
1 168 . 20 1 1 A 20 20 LEU C C 20 178.466 178.273 0.193 1
1 169 . 20 1 1 A 21 21 TYR N N 21 118.825 118.885 -0.060 1
1 170 . 20 1 1 A 21 21 TYR H H 21 8.376 8.032 0.344 1
1 171 . 20 1 1 A 21 21 TYR CA C 21 60.605 61.054 -0.449 1
1 172 . 20 1 1 A 21 21 TYR HA H 21 4.286 4.333 -0.047 1
1 173 . 20 1 1 A 21 21 TYR CB C 21 36.667 37.717 -1.050 1
1 184 . 20 1 1 A 21 21 TYR C C 21 178.654 178.563 0.091 1
1 185 . 20 1 1 A 22 22 LEU N N 22 118.954 120.683 -1.729 1
1 186 . 20 1 1 A 22 22 LEU H H 22 7.869 7.937 -0.068 1
1 187 . 20 1 1 A 22 22 LEU CA C 22 57.887 57.394 0.493 1
1 188 . 20 1 1 A 22 22 LEU HA H 22 4.076 4.080 -0.004 1
1 189 . 20 1 1 A 22 22 LEU CB C 22 42.250 41.949 0.301 1
1 202 . 20 1 1 A 22 22 LEU C C 22 178.877 178.951 -0.074 1
1 203 . 20 1 1 A 23 23 TRP N N 23 120.668 120.924 -0.256 1
1 204 . 20 1 1 A 23 23 TRP H H 23 7.804 7.966 -0.162 1
1 205 . 20 1 1 A 23 23 TRP CA C 23 60.711 61.327 -0.616 1
1 206 . 20 1 1 A 23 23 TRP HA H 23 4.436 4.254 0.182 1
1 207 . 20 1 1 A 23 23 TRP CB C 23 28.035 29.543 -1.508 1
1 222 . 20 1 1 A 23 23 TRP C C 23 178.471 178.359 0.112 1
1 223 . 20 1 1 A 24 24 VAL N N 24 116.831 119.283 -2.452 1
1 224 . 20 1 1 A 24 24 VAL H H 24 8.503 7.996 0.507 1
1 225 . 20 1 1 A 24 24 VAL CA C 24 66.014 66.200 -0.186 1
1 226 . 20 1 1 A 24 24 VAL HA H 24 3.084 2.969 0.115 1
1 227 . 20 1 1 A 24 24 VAL CB C 24 31.826 31.384 0.442 1
1 237 . 20 1 1 A 24 24 VAL C C 24 178.212 177.362 0.850 1
1 238 . 20 1 1 A 25 25 ASP N N 25 117.894 121.229 -3.335 1
1 239 . 20 1 1 A 25 25 ASP H H 25 8.140 8.296 -0.156 1
1 240 . 20 1 1 A 25 25 ASP CA C 25 57.043 57.547 -0.504 1
1 241 . 20 1 1 A 25 25 ASP HA H 25 4.290 4.219 0.071 1
1 242 . 20 1 1 A 25 25 ASP CB C 25 41.067 41.264 -0.197 1
1 245 . 20 1 1 A 25 25 ASP C C 25 177.163 178.018 -0.855 1
1 246 . 20 1 1 A 26 26 ASN N N 26 114.914 116.573 -1.659 1
1 247 . 20 1 1 A 26 26 ASN H H 26 7.229 8.142 -0.913 1
1 248 . 20 1 1 A 26 26 ASN CA C 26 53.375 55.675 -2.300 1
1 249 . 20 1 1 A 26 26 ASN HA H 26 4.607 4.360 0.247 1
1 250 . 20 1 1 A 26 26 ASN CB C 26 40.048 38.411 1.637 1
1 256 . 20 1 1 A 26 26 ASN C C 26 174.227 175.036 -0.809 1
1 257 . 20 1 1 A 27 27 ILE N N 27 123.268 118.677 4.591 1
1 258 . 20 1 1 A 27 27 ILE H H 27 7.212 7.803 -0.591 1
1 259 . 20 1 1 A 27 27 ILE CA C 27 58.327 57.464 0.863 1
1 260 . 20 1 1 A 27 27 ILE HA H 27 3.628 4.294 -0.666 1
1 261 . 20 1 1 A 27 27 ILE CB C 27 39.403 38.384 1.019 1
1 274 . 20 1 1 A 27 27 ILE C C 27 173.764 175.724 -1.960 1
1 275 . 20 1 1 A 28 28 PRO CA C 28 62.584 66.040 -3.456 1
1 276 . 20 1 1 A 28 28 PRO HA H 28 4.354 4.306 0.048 1
1 277 . 20 1 1 A 28 28 PRO CB C 28 30.056 31.245 -1.189 1
1 286 . 20 1 1 A 28 28 PRO C C 28 175.419 176.899 -1.480 1
1 287 . 20 1 1 A 29 29 LEU N N 29 125.355 117.402 7.953 1
1 288 . 20 1 1 A 29 29 LEU H H 29 8.118 7.917 0.201 1
1 289 . 20 1 1 A 29 29 LEU CA C 29 53.358 55.871 -2.513 1
1 290 . 20 1 1 A 29 29 LEU HA H 29 4.748 3.814 0.934 1
1 291 . 20 1 1 A 29 29 LEU CB C 29 45.279 40.038 5.241 1
1 304 . 20 1 1 A 29 29 LEU C C 29 178.577 176.648 1.929 1
1 305 . 20 1 1 A 31 31 ARG CA C 31 53.250 60.900 -7.650 1
1 306 . 20 1 1 A 31 31 ARG HA H 31 4.787 4.082 0.705 1
1 307 . 20 1 1 A 31 31 ARG CB C 31 32.107 28.937 3.170 1
1 316 . 20 1 1 A 32 32 PRO CA C 32 62.865 62.239 0.626 1
1 317 . 20 1 1 A 32 32 PRO HA H 32 4.300 4.606 -0.306 1
1 318 . 20 1 1 A 32 32 PRO CB C 32 32.193 32.984 -0.791 1
1 327 . 20 1 1 A 33 33 LYS CA C 33 56.154 54.839 1.315 1
1 328 . 20 1 1 A 33 33 LYS HA H 33 4.361 4.686 -0.325 1
1 329 . 20 1 1 A 33 33 LYS CB C 33 32.368 34.241 -1.873 1
1 341 . 20 1 1 A 34 34 ARG N N 34 122.768 121.153 1.615 1
1 342 . 20 1 1 A 34 34 ARG H H 34 8.410 8.625 -0.215 1
1 343 . 20 1 1 A 34 34 ARG HA H 34 4.336 3.894 0.442 1
1 344 . 20 1 1 A 34 34 ARG CB C 34 31.894 30.139 1.755 1
1 349 . 20 1 1 A 35 35 ASN CA C 35 53.153 52.628 0.525 1
1 350 . 20 1 1 A 35 35 ASN HA H 35 4.771 4.696 0.075 1
1 351 . 20 1 1 A 35 35 ASN CB C 35 39.425 38.190 1.235 1
1 357 . 20 1 1 A 36 36 LEU N N 36 110.943 124.197 -13.254 1
1 358 . 20 1 1 A 36 36 LEU H H 36 8.305 8.000 0.305 1
1 359 . 20 1 1 A 36 36 LEU CA C 36 60.191 57.898 2.293 1
1 360 . 20 1 1 A 36 36 LEU HA H 36 4.140 4.113 0.027 1
1 361 . 20 1 1 A 36 36 LEU CB C 36 41.876 41.501 0.375 1
1 374 . 20 1 1 A 37 37 SER CA C 37 61.673 61.140 0.533 1
1 375 . 20 1 1 A 37 37 SER HA H 37 4.080 4.190 -0.110 1
1 376 . 20 1 1 A 37 37 SER CB C 37 62.700 62.946 -0.246 1
1 379 . 20 1 1 A 38 38 ARG N N 38 119.288 120.875 -1.587 1
1 380 . 20 1 1 A 38 38 ARG H H 38 7.773 7.753 0.020 1
1 381 . 20 1 1 A 38 38 ARG HA H 38 4.587 4.231 0.356 1
1 384 . 20 1 1 A 39 39 ASP N N 39 121.607 120.091 1.516 1
1 385 . 20 1 1 A 39 39 ASP H H 39 9.487 8.112 1.375 1
1 386 . 20 1 1 A 39 39 ASP CA C 39 58.026 57.087 0.939 1
1 387 . 20 1 1 A 39 39 ASP HA H 39 4.518 4.438 0.080 1
1 388 . 20 1 1 A 39 39 ASP CB C 39 40.039 40.907 -0.868 1
1 391 . 20 1 1 A 40 40 PHE N N 40 115.310 118.940 -3.630 1
1 392 . 20 1 1 A 40 40 PHE H H 40 8.300 8.724 -0.424 1
1 393 . 20 1 1 A 40 40 PHE CA C 40 59.420 60.764 -1.344 1
1 394 . 20 1 1 A 40 40 PHE HA H 40 4.605 4.287 0.318 1
1 395 . 20 1 1 A 40 40 PHE CB C 40 39.030 38.727 0.303 1
1 408 . 20 1 1 A 41 41 SER N N 41 115.417 116.134 -0.717 1
1 409 . 20 1 1 A 41 41 SER H H 41 7.441 8.329 -0.888 1
1 410 . 20 1 1 A 41 41 SER CA C 41 62.290 62.573 -0.283 1
1 411 . 20 1 1 A 41 41 SER HA H 41 4.341 4.361 -0.020 1
1 412 . 20 1 1 A 41 41 SER CB C 41 64.510 62.922 1.588 1
1 415 . 20 1 1 A 42 42 ASP N N 42 117.563 118.991 -1.428 1
1 416 . 20 1 1 A 42 42 ASP H H 42 8.726 7.816 0.910 1
1 417 . 20 1 1 A 42 42 ASP CA C 42 53.746 54.432 -0.686 1
1 418 . 20 1 1 A 42 42 ASP HA H 42 4.780 4.739 0.041 1
1 419 . 20 1 1 A 42 42 ASP CB C 42 42.695 41.292 1.403 1
1 422 . 20 1 1 A 42 42 ASP C C 42 176.013 176.705 -0.692 1
1 423 . 20 1 1 A 43 43 GLY N N 43 106.643 107.727 -1.084 1
1 424 . 20 1 1 A 43 43 GLY H H 43 7.388 8.561 -1.173 1
1 425 . 20 1 1 A 43 43 GLY CA C 43 45.230 45.828 -0.598 1
1 426 . 20 1 1 A 43 43 GLY HA2 H 43 3.131 2.474 0.657 1
1 427 . 20 1 1 A 43 43 GLY HA3 H 43 2.588 2.940 -0.352 1
1 428 . 20 1 1 A 43 43 GLY C C 43 173.476 173.541 -0.065 1
1 429 . 20 1 1 A 44 44 VAL N N 44 121.300 116.720 4.580 1
1 430 . 20 1 1 A 44 44 VAL H H 44 7.874 7.619 0.255 1
1 431 . 20 1 1 A 44 44 VAL CA C 44 67.198 63.685 3.513 1
1 432 . 20 1 1 A 44 44 VAL HA H 44 3.018 4.012 -0.994 1
1 433 . 20 1 1 A 44 44 VAL CB C 44 31.139 32.749 -1.610 1
1 443 . 20 1 1 A 44 44 VAL C C 44 177.853 177.057 0.796 1
1 444 . 20 1 1 A 45 45 LEU N N 45 114.495 121.418 -6.923 1
1 445 . 20 1 1 A 45 45 LEU H H 45 8.945 8.009 0.936 1
1 446 . 20 1 1 A 45 45 LEU CA C 45 57.466 57.907 -0.441 1
1 447 . 20 1 1 A 45 45 LEU HA H 45 3.838 3.849 -0.011 1
1 448 . 20 1 1 A 45 45 LEU CB C 45 40.503 41.423 -0.920 1
1 461 . 20 1 1 A 45 45 LEU C C 45 179.257 178.617 0.640 1
1 462 . 20 1 1 A 46 46 VAL N N 46 118.354 118.929 -0.575 1
1 463 . 20 1 1 A 46 46 VAL H H 46 7.422 7.813 -0.391 1
1 464 . 20 1 1 A 46 46 VAL CA C 46 67.288 66.385 0.903 1
1 465 . 20 1 1 A 46 46 VAL HA H 46 3.469 3.447 0.022 1
1 466 . 20 1 1 A 46 46 VAL CB C 46 30.173 31.382 -1.209 1
1 476 . 20 1 1 A 46 46 VAL C C 46 176.954 178.413 -1.459 1
1 477 . 20 1 1 A 47 47 ALA N N 47 121.963 122.016 -0.053 1
1 478 . 20 1 1 A 47 47 ALA H H 47 7.272 8.044 -0.772 1
1 479 . 20 1 1 A 47 47 ALA CA C 47 55.991 55.196 0.795 1
1 480 . 20 1 1 A 47 47 ALA HA H 47 3.576 3.816 -0.240 1
1 481 . 20 1 1 A 47 47 ALA CB C 47 17.292 18.198 -0.906 1
1 485 . 20 1 1 A 47 47 ALA C C 47 178.880 179.943 -1.063 1
1 486 . 20 1 1 A 48 48 GLU N N 48 116.763 118.361 -1.598 1
1 487 . 20 1 1 A 48 48 GLU H H 48 8.081 7.866 0.215 1
1 488 . 20 1 1 A 48 48 GLU CA C 48 60.605 59.559 1.046 1
1 489 . 20 1 1 A 48 48 GLU HA H 48 3.851 4.019 -0.168 1
1 490 . 20 1 1 A 48 48 GLU CB C 48 30.467 29.448 1.019 1
1 496 . 20 1 1 A 48 48 GLU C C 48 180.175 179.411 0.764 1
1 497 . 20 1 1 A 49 49 VAL N N 49 122.024 119.901 2.123 1
1 498 . 20 1 1 A 49 49 VAL H H 49 8.325 7.406 0.919 1
1 499 . 20 1 1 A 49 49 VAL CA C 49 67.146 66.616 0.530 1
1 500 . 20 1 1 A 49 49 VAL HA H 49 3.530 3.608 -0.078 1
1 501 . 20 1 1 A 49 49 VAL CB C 49 31.543 31.586 -0.043 1
1 511 . 20 1 1 A 49 49 VAL C C 49 177.168 178.488 -1.320 1
1 512 . 20 1 1 A 50 50 ILE N N 50 117.821 120.367 -2.546 1
1 513 . 20 1 1 A 50 50 ILE H H 50 7.947 7.846 0.101 1
1 514 . 20 1 1 A 50 50 ILE CA C 50 66.217 65.545 0.672 1
1 515 . 20 1 1 A 50 50 ILE HA H 50 3.757 3.808 -0.051 1
1 516 . 20 1 1 A 50 50 ILE CB C 50 37.952 37.640 0.312 1
1 529 . 20 1 1 A 50 50 ILE C C 50 177.890 178.108 -0.218 1
1 530 . 20 1 1 A 51 51 LYS N N 51 121.589 121.148 0.441 1
1 531 . 20 1 1 A 51 51 LYS H H 51 8.790 8.115 0.675 1
1 532 . 20 1 1 A 51 51 LYS CA C 51 58.277 59.517 -1.240 1
1 533 . 20 1 1 A 51 51 LYS HA H 51 3.816 4.066 -0.250 1
1 534 . 20 1 1 A 51 51 LYS CB C 51 32.898 32.519 0.379 1
1 546 . 20 1 1 A 51 51 LYS C C 51 176.668 178.556 -1.888 1
1 547 . 20 1 1 A 52 52 PHE N N 52 117.622 120.386 -2.764 1
1 548 . 20 1 1 A 52 52 PHE H H 52 7.768 7.798 -0.030 1
1 549 . 20 1 1 A 52 52 PHE CA C 52 60.585 61.247 -0.662 1
1 550 . 20 1 1 A 52 52 PHE HA H 52 4.090 3.963 0.127 1
1 551 . 20 1 1 A 52 52 PHE CB C 52 38.775 38.993 -0.218 1
1 564 . 20 1 1 A 52 52 PHE C C 52 176.831 176.811 0.020 1
1 565 . 20 1 1 A 53 53 TYR N N 53 115.876 116.544 -0.668 1
1 566 . 20 1 1 A 53 53 TYR H H 53 7.346 7.917 -0.571 1
1 567 . 20 1 1 A 53 53 TYR CA C 53 61.264 60.149 1.115 1
1 568 . 20 1 1 A 53 53 TYR HA H 53 3.697 4.397 -0.700 1
1 569 . 20 1 1 A 53 53 TYR CB C 53 41.522 39.053 2.469 1
1 580 . 20 1 1 A 53 53 TYR C C 53 175.972 175.667 0.305 1
1 581 . 20 1 1 A 54 54 PHE N N 54 116.478 116.183 0.295 1
1 582 . 20 1 1 A 54 54 PHE H H 54 8.877 8.404 0.473 1
1 583 . 20 1 1 A 54 54 PHE CA C 54 55.553 55.128 0.425 1
1 584 . 20 1 1 A 54 54 PHE HA H 54 5.173 5.114 0.059 1
1 585 . 20 1 1 A 54 54 PHE CB C 54 40.841 39.250 1.591 1
1 598 . 20 1 1 A 54 54 PHE C C 54 173.424 174.624 -1.200 1
1 599 . 20 1 1 A 55 55 PRO CA C 55 65.147 64.390 0.757 1
1 600 . 20 1 1 A 55 55 PRO HA H 55 4.591 4.556 0.035 1
1 601 . 20 1 1 A 55 55 PRO CB C 55 32.014 31.690 0.324 1
1 610 . 20 1 1 A 55 55 PRO C C 55 179.255 177.391 1.864 1
1 611 . 20 1 1 A 56 56 LYS N N 56 113.672 116.081 -2.409 1
1 612 . 20 1 1 A 56 56 LYS H H 56 8.639 8.816 -0.177 1
1 613 . 20 1 1 A 56 56 LYS CA C 56 56.918 59.211 -2.293 1
1 614 . 20 1 1 A 56 56 LYS HA H 56 4.384 4.188 0.196 1
1 615 . 20 1 1 A 56 56 LYS CB C 56 31.868 32.566 -0.698 1
1 627 . 20 1 1 A 56 56 LYS C C 56 178.220 179.207 -0.987 1
1 628 . 20 1 1 A 57 57 MET N N 57 116.692 118.649 -1.957 1
1 629 . 20 1 1 A 57 57 MET H H 57 8.099 8.240 -0.141 1
1 630 . 20 1 1 A 57 57 MET CA C 57 57.537 58.743 -1.206 1
1 631 . 20 1 1 A 57 57 MET HA H 57 4.260 4.165 0.095 1
1 632 . 20 1 1 A 57 57 MET CB C 57 35.400 32.224 3.176 1
1 642 . 20 1 1 A 57 57 MET C C 57 174.856 177.330 -2.474 1
1 643 . 20 1 1 A 58 58 VAL N N 58 114.727 119.289 -4.562 1
1 644 . 20 1 1 A 58 58 VAL H H 58 6.872 7.203 -0.331 1
1 645 . 20 1 1 A 58 58 VAL CA C 58 60.834 63.630 -2.796 1
1 646 . 20 1 1 A 58 58 VAL HA H 58 4.421 4.016 0.405 1
1 647 . 20 1 1 A 58 58 VAL CB C 58 36.223 32.249 3.974 1
1 657 . 20 1 1 A 58 58 VAL C C 58 173.747 176.067 -2.320 1
1 658 . 20 1 1 A 59 59 GLU N N 59 127.314 128.634 -1.320 1
1 659 . 20 1 1 A 59 59 GLU H H 59 8.783 8.834 -0.051 1
1 660 . 20 1 1 A 59 59 GLU CA C 59 54.465 55.914 -1.449 1
1 661 . 20 1 1 A 59 59 GLU HA H 59 4.671 5.042 -0.371 1
1 662 . 20 1 1 A 59 59 GLU CB C 59 30.020 30.717 -0.697 1
1 668 . 20 1 1 A 59 59 GLU C C 59 176.450 177.084 -0.634 1
1 669 . 20 1 1 A 60 60 MET N N 60 122.273 120.666 1.607 1
1 670 . 20 1 1 A 60 60 MET H H 60 9.004 8.232 0.772 1
1 671 . 20 1 1 A 60 60 MET CA C 60 55.751 57.617 -1.866 1
1 672 . 20 1 1 A 60 60 MET HA H 60 4.613 4.377 0.236 1
1 673 . 20 1 1 A 60 60 MET CB C 60 29.356 31.194 -1.838 1
1 683 . 20 1 1 A 60 60 MET C C 60 178.387 178.745 -0.358 1
1 684 . 20 1 1 A 61 61 HIS N N 61 115.823 117.229 -1.406 1
1 685 . 20 1 1 A 61 61 HIS H H 61 8.198 7.743 0.455 1
1 686 . 20 1 1 A 61 61 HIS CA C 61 57.963 59.343 -1.380 1
1 687 . 20 1 1 A 61 61 HIS HA H 61 4.341 4.331 0.010 1
1 688 . 20 1 1 A 61 61 HIS CB C 61 29.235 29.895 -0.660 1
1 695 . 20 1 1 A 61 61 HIS C C 61 175.800 177.692 -1.892 1
1 696 . 20 1 1 A 62 62 ASN N N 62 115.093 114.394 0.699 1
1 697 . 20 1 1 A 62 62 ASN H H 62 6.895 8.038 -1.143 1
1 698 . 20 1 1 A 62 62 ASN CA C 62 54.503 55.577 -1.074 1
1 699 . 20 1 1 A 62 62 ASN HA H 62 3.872 4.596 -0.724 1
1 700 . 20 1 1 A 62 62 ASN CB C 62 38.749 38.699 0.050 1
1 706 . 20 1 1 A 62 62 ASN C C 62 173.014 175.455 -2.441 1
1 707 . 20 1 1 A 63 63 TYR N N 63 118.560 119.594 -1.034 1
1 708 . 20 1 1 A 63 63 TYR H H 63 7.255 7.516 -0.261 1
1 709 . 20 1 1 A 63 63 TYR CA C 63 56.311 59.691 -3.380 1
1 710 . 20 1 1 A 63 63 TYR HA H 63 4.481 4.583 -0.102 1
1 711 . 20 1 1 A 63 63 TYR CB C 63 39.138 39.400 -0.262 1
1 722 . 20 1 1 A 63 63 TYR C C 63 173.223 176.103 -2.880 1
1 723 . 20 1 1 A 64 64 VAL N N 64 122.318 123.186 -0.868 1
1 724 . 20 1 1 A 64 64 VAL H H 64 7.750 8.473 -0.723 1
1 725 . 20 1 1 A 64 64 VAL CA C 64 58.601 58.759 -0.158 1
1 726 . 20 1 1 A 64 64 VAL HA H 64 4.469 4.614 -0.145 1
1 727 . 20 1 1 A 64 64 VAL CB C 64 33.747 35.635 -1.888 1
1 737 . 20 1 1 A 64 64 VAL C C 64 173.983 173.730 0.253 1
1 738 . 20 1 1 A 65 65 PRO CA C 65 63.212 62.620 0.592 1
1 739 . 20 1 1 A 65 65 PRO HA H 65 4.348 4.785 -0.437 1
1 740 . 20 1 1 A 65 65 PRO CB C 65 31.279 31.841 -0.562 1
1 749 . 20 1 1 A 65 65 PRO C C 65 176.821 176.219 0.602 1
1 750 . 20 1 1 A 66 66 ALA N N 66 125.896 123.763 2.133 1
1 751 . 20 1 1 A 66 66 ALA H H 66 8.563 8.531 0.032 1
1 752 . 20 1 1 A 66 66 ALA CA C 66 52.003 50.521 1.482 1
1 753 . 20 1 1 A 66 66 ALA HA H 66 4.651 4.974 -0.323 1
1 754 . 20 1 1 A 66 66 ALA CB C 66 24.137 24.121 0.016 1
1 758 . 20 1 1 A 66 66 ALA C C 66 176.244 176.216 0.028 1
1 759 . 20 1 1 A 67 67 ASN CA C 67 52.862 52.845 0.017 1
1 760 . 20 1 1 A 67 67 ASN HA H 67 4.988 5.119 -0.131 1
1 761 . 20 1 1 A 67 67 ASN CB C 67 40.168 39.031 1.137 1
1 767 . 20 1 1 A 67 67 ASN C C 67 174.896 173.792 1.104 1
1 768 . 20 1 1 A 68 68 SER N N 68 114.553 115.524 -0.971 1
1 769 . 20 1 1 A 68 68 SER H H 68 7.777 7.595 0.182 1
1 770 . 20 1 1 A 68 68 SER CA C 68 56.741 57.538 -0.797 1
1 771 . 20 1 1 A 68 68 SER HA H 68 4.737 4.913 -0.176 1
1 772 . 20 1 1 A 68 68 SER CB C 68 65.267 66.416 -1.149 1
1 775 . 20 1 1 A 68 68 SER C C 68 174.542 174.247 0.295 1
1 776 . 20 1 1 A 69 69 LEU CA C 69 59.000 58.382 0.618 1
1 777 . 20 1 1 A 69 69 LEU HA H 69 3.961 4.029 -0.068 1
1 778 . 20 1 1 A 69 69 LEU CB C 69 41.679 41.414 0.265 1
1 791 . 20 1 1 A 69 69 LEU C C 69 178.629 178.752 -0.123 1
1 792 . 20 1 1 A 70 70 GLN N N 70 115.924 118.149 -2.225 1
1 793 . 20 1 1 A 70 70 GLN H H 70 8.785 8.151 0.634 1
1 794 . 20 1 1 A 70 70 GLN CA C 70 59.728 59.412 0.316 1
1 795 . 20 1 1 A 70 70 GLN HA H 70 3.977 3.969 0.008 1
1 796 . 20 1 1 A 70 70 GLN CB C 70 27.912 28.589 -0.677 1
1 805 . 20 1 1 A 70 70 GLN C C 70 178.954 178.480 0.474 1
1 806 . 20 1 1 A 71 71 GLN N N 71 118.694 119.385 -0.691 1
1 807 . 20 1 1 A 71 71 GLN H H 71 7.780 7.596 0.184 1
1 808 . 20 1 1 A 71 71 GLN CA C 71 58.233 58.936 -0.703 1
1 809 . 20 1 1 A 71 71 GLN HA H 71 4.219 4.024 0.195 1
1 810 . 20 1 1 A 71 71 GLN CB C 71 29.089 28.304 0.785 1
1 819 . 20 1 1 A 71 71 GLN C C 71 178.724 177.937 0.787 1
1 820 . 20 1 1 A 72 72 LYS N N 72 119.661 118.321 1.340 1
1 821 . 20 1 1 A 72 72 LYS H H 72 8.094 7.965 0.129 1
1 822 . 20 1 1 A 72 72 LYS CA C 72 61.528 59.650 1.878 1
1 823 . 20 1 1 A 72 72 LYS HA H 72 4.206 3.988 0.218 1
1 824 . 20 1 1 A 72 72 LYS CB C 72 33.806 32.426 1.380 1
1 836 . 20 1 1 A 72 72 LYS C C 72 179.041 179.313 -0.272 1
1 837 . 20 1 1 A 73 73 LEU N N 73 117.098 120.928 -3.830 1
1 838 . 20 1 1 A 73 73 LEU H H 73 8.602 8.203 0.399 1
1 839 . 20 1 1 A 73 73 LEU CA C 73 58.118 57.869 0.249 1
1 840 . 20 1 1 A 73 73 LEU HA H 73 4.287 4.131 0.156 1
1 841 . 20 1 1 A 73 73 LEU CB C 73 40.831 41.576 -0.745 1
1 854 . 20 1 1 A 73 73 LEU C C 73 180.838 179.028 1.810 1
1 855 . 20 1 1 A 74 74 SER N N 74 118.060 113.343 4.717 1
1 856 . 20 1 1 A 74 74 SER H H 74 8.334 8.027 0.307 1
1 857 . 20 1 1 A 74 74 SER CA C 74 61.971 61.560 0.411 1
1 858 . 20 1 1 A 74 74 SER HA H 74 4.431 3.992 0.439 1
1 859 . 20 1 1 A 74 74 SER CB C 74 62.560 63.046 -0.486 1
1 862 . 20 1 1 A 74 74 SER C C 74 177.493 177.057 0.436 1
1 863 . 20 1 1 A 75 75 ASN N N 75 121.688 118.699 2.989 1
1 864 . 20 1 1 A 75 75 ASN H H 75 8.266 8.262 0.004 1
1 865 . 20 1 1 A 75 75 ASN CA C 75 56.090 56.414 -0.324 1
1 866 . 20 1 1 A 75 75 ASN HA H 75 4.739 4.317 0.422 1
1 867 . 20 1 1 A 75 75 ASN CB C 75 38.184 38.133 0.051 1
1 873 . 20 1 1 A 75 75 ASN C C 75 177.792 177.917 -0.125 1
1 874 . 20 1 1 A 76 76 TRP N N 76 118.943 120.315 -1.372 1
1 875 . 20 1 1 A 76 76 TRP H H 76 8.510 8.066 0.444 1
1 876 . 20 1 1 A 76 76 TRP CA C 76 62.294 59.469 2.825 1
1 877 . 20 1 1 A 76 76 TRP HA H 76 4.173 4.202 -0.029 1
1 878 . 20 1 1 A 76 76 TRP CB C 76 29.223 29.165 0.058 1
1 893 . 20 1 1 A 76 76 TRP C C 76 178.579 179.206 -0.627 1
1 894 . 20 1 1 A 77 77 GLY N N 77 107.789 107.534 0.255 1
1 895 . 20 1 1 A 77 77 GLY H H 77 8.954 8.568 0.386 1
1 896 . 20 1 1 A 77 77 GLY CA C 77 47.600 47.277 0.323 1
1 897 . 20 1 1 A 77 77 GLY HA2 H 77 4.122 3.791 0.331 1
1 898 . 20 1 1 A 77 77 GLY HA3 H 77 3.977 3.838 0.139 1
1 899 . 20 1 1 A 77 77 GLY C C 77 176.076 176.655 -0.579 1
1 900 . 20 1 1 A 78 78 HIS N N 78 122.925 120.206 2.719 1
1 901 . 20 1 1 A 78 78 HIS H H 78 8.127 7.640 0.487 1
1 902 . 20 1 1 A 78 78 HIS CA C 78 61.550 58.625 2.925 1
1 903 . 20 1 1 A 78 78 HIS HA H 78 4.206 4.824 -0.618 1
1 904 . 20 1 1 A 78 78 HIS CB C 78 30.794 30.033 0.761 1
1 911 . 20 1 1 A 78 78 HIS C C 78 177.572 177.952 -0.380 1
1 912 . 20 1 1 A 79 79 LEU N N 79 120.009 121.157 -1.148 1
1 913 . 20 1 1 A 79 79 LEU H H 79 8.726 8.500 0.226 1
1 914 . 20 1 1 A 79 79 LEU CA C 79 58.252 57.486 0.766 1
1 915 . 20 1 1 A 79 79 LEU HA H 79 4.227 4.419 -0.192 1
1 916 . 20 1 1 A 79 79 LEU CB C 79 43.075 41.526 1.549 1
1 929 . 20 1 1 A 79 79 LEU C C 79 181.067 178.606 2.461 1
1 930 . 20 1 1 A 80 80 ASN N N 80 119.257 117.606 1.651 1
1 931 . 20 1 1 A 80 80 ASN H H 80 9.270 8.037 1.233 1
1 932 . 20 1 1 A 80 80 ASN CA C 80 57.279 56.160 1.119 1
1 933 . 20 1 1 A 80 80 ASN HA H 80 4.595 4.613 -0.018 1
1 934 . 20 1 1 A 80 80 ASN CB C 80 40.403 39.024 1.379 1
1 940 . 20 1 1 A 80 80 ASN C C 80 177.177 176.733 0.444 1
1 941 . 20 1 1 A 81 81 ARG N N 81 115.731 117.322 -1.591 1
1 942 . 20 1 1 A 81 81 ARG H H 81 8.085 7.836 0.249 1
1 943 . 20 1 1 A 81 81 ARG CA C 81 59.249 56.015 3.234 1
1 944 . 20 1 1 A 81 81 ARG HA H 81 4.167 4.497 -0.330 1
1 945 . 20 1 1 A 81 81 ARG CB C 81 31.579 30.800 0.779 1
1 954 . 20 1 1 A 81 81 ARG C C 81 177.890 176.810 1.080 1
1 955 . 20 1 1 A 82 82 LYS N N 82 113.840 117.798 -3.958 1
1 956 . 20 1 1 A 82 82 LYS H H 82 8.691 7.637 1.054 1
1 957 . 20 1 1 A 82 82 LYS CA C 82 56.216 56.852 -0.636 1
1 958 . 20 1 1 A 82 82 LYS HA H 82 4.441 4.487 -0.046 1
1 959 . 20 1 1 A 82 82 LYS CB C 82 32.964 33.955 -0.991 1
1 971 . 20 1 1 A 82 82 LYS C C 82 177.543 177.134 0.409 1
1 972 . 20 1 1 A 83 83 VAL N N 83 117.873 117.424 0.449 1
1 973 . 20 1 1 A 83 83 VAL H H 83 7.786 7.898 -0.112 1
1 974 . 20 1 1 A 83 83 VAL CA C 83 64.939 64.069 0.870 1
1 975 . 20 1 1 A 83 83 VAL HA H 83 4.235 4.219 0.016 1
1 976 . 20 1 1 A 83 83 VAL CB C 83 34.046 32.425 1.621 1
1 986 . 20 1 1 A 83 83 VAL C C 83 176.945 177.824 -0.879 1
1 987 . 20 1 1 A 84 84 LEU N N 84 118.163 120.068 -1.905 1
1 988 . 20 1 1 A 84 84 LEU H H 84 9.200 7.949 1.251 1
1 989 . 20 1 1 A 84 84 LEU CA C 84 58.824 58.397 0.427 1
1 990 . 20 1 1 A 84 84 LEU HA H 84 3.898 4.008 -0.110 1
1 991 . 20 1 1 A 84 84 LEU CB C 84 38.418 41.787 -3.369 1
1 1004 . 20 1 1 A 84 84 LEU C C 84 179.874 178.996 0.878 1
1 1005 . 20 1 1 A 85 85 LYS N N 85 117.114 119.077 -1.963 1
1 1006 . 20 1 1 A 85 85 LYS H H 85 7.303 8.127 -0.824 1
1 1007 . 20 1 1 A 85 85 LYS CA C 85 59.436 59.697 -0.261 1
1 1008 . 20 1 1 A 85 85 LYS HA H 85 4.191 3.971 0.220 1
1 1009 . 20 1 1 A 85 85 LYS CB C 85 33.096 32.344 0.752 1
1 1021 . 20 1 1 A 85 85 LYS C C 85 180.286 178.877 1.409 1
1 1022 . 20 1 1 A 86 86 ARG N N 86 117.181 119.434 -2.253 1
1 1023 . 20 1 1 A 86 86 ARG H H 86 7.216 7.956 -0.740 1
1 1024 . 20 1 1 A 86 86 ARG CA C 86 57.924 58.884 -0.960 1
1 1025 . 20 1 1 A 86 86 ARG HA H 86 4.191 4.122 0.069 1
1 1026 . 20 1 1 A 86 86 ARG CB C 86 29.848 29.940 -0.092 1
1 1035 . 20 1 1 A 86 86 ARG C C 86 177.047 178.062 -1.015 1
1 1036 . 20 1 1 A 87 87 LEU N N 87 118.282 117.781 0.501 1
1 1037 . 20 1 1 A 87 87 LEU H H 87 7.584 8.063 -0.479 1
1 1038 . 20 1 1 A 87 87 LEU CA C 87 53.603 54.629 -1.026 1
1 1039 . 20 1 1 A 87 87 LEU HA H 87 4.339 4.401 -0.062 1
1 1040 . 20 1 1 A 87 87 LEU CB C 87 42.059 41.940 0.119 1
1 1053 . 20 1 1 A 87 87 LEU C C 87 175.182 175.622 -0.440 1
1 1054 . 20 1 1 A 88 88 ASN N N 88 115.016 115.198 -0.182 1
1 1055 . 20 1 1 A 88 88 ASN H H 88 7.932 7.637 0.295 1
1 1056 . 20 1 1 A 88 88 ASN CA C 88 54.081 54.577 -0.496 1
1 1057 . 20 1 1 A 88 88 ASN HA H 88 4.384 4.391 -0.007 1
1 1058 . 20 1 1 A 88 88 ASN CB C 88 36.809 37.317 -0.508 1
1 1064 . 20 1 1 A 88 88 ASN C C 88 173.426 173.869 -0.443 1
1 1065 . 20 1 1 A 89 89 PHE N N 89 119.795 119.367 0.428 1
1 1066 . 20 1 1 A 89 89 PHE H H 89 7.739 7.921 -0.182 1
1 1067 . 20 1 1 A 89 89 PHE CA C 89 56.231 57.741 -1.510 1
1 1068 . 20 1 1 A 89 89 PHE HA H 89 4.887 4.805 0.082 1
1 1069 . 20 1 1 A 89 89 PHE CB C 89 43.188 41.294 1.894 1
1 1082 . 20 1 1 A 89 89 PHE C C 89 172.386 174.162 -1.776 1
1 1083 . 20 1 1 A 90 90 SER N N 90 117.020 118.091 -1.071 1
1 1084 . 20 1 1 A 90 90 SER H H 90 7.301 7.803 -0.502 1
1 1085 . 20 1 1 A 90 90 SER CA C 90 56.762 57.483 -0.721 1
1 1086 . 20 1 1 A 90 90 SER HA H 90 4.667 4.978 -0.311 1
1 1087 . 20 1 1 A 90 90 SER CB C 90 64.885 66.301 -1.416 1
1 1090 . 20 1 1 A 90 90 SER C C 90 172.726 172.635 0.091 1
1 1091 . 20 1 1 A 91 91 VAL N N 91 126.604 125.083 1.521 1
1 1092 . 20 1 1 A 91 91 VAL H H 91 8.959 8.827 0.132 1
1 1093 . 20 1 1 A 91 91 VAL CA C 91 59.173 58.736 0.437 1
1 1094 . 20 1 1 A 91 91 VAL HA H 91 4.336 4.425 -0.089 1
1 1095 . 20 1 1 A 91 91 VAL CB C 91 33.703 35.718 -2.015 1
1 1105 . 20 1 1 A 91 91 VAL C C 91 173.886 174.095 -0.209 1
1 1106 . 20 1 1 A 92 92 PRO CA C 92 62.618 62.720 -0.102 1
1 1107 . 20 1 1 A 92 92 PRO HA H 92 4.481 4.642 -0.161 1
1 1108 . 20 1 1 A 92 92 PRO CB C 92 33.302 33.190 0.112 1
1 1117 . 20 1 1 A 92 92 PRO C C 92 177.410 176.520 0.890 1
1 1118 . 20 1 1 A 93 93 ASP N N 93 123.319 123.532 -0.213 1
1 1119 . 20 1 1 A 93 93 ASP H H 93 8.854 9.037 -0.183 1
1 1120 . 20 1 1 A 93 93 ASP CA C 93 58.347 56.397 1.950 1
1 1121 . 20 1 1 A 93 93 ASP HA H 93 4.298 4.335 -0.037 1
1 1122 . 20 1 1 A 93 93 ASP CB C 93 40.916 40.586 0.330 1
1 1125 . 20 1 1 A 93 93 ASP C C 93 178.221 177.630 0.591 1
1 1126 . 20 1 1 A 94 94 ASP N N 94 116.740 118.675 -1.935 1
1 1127 . 20 1 1 A 94 94 ASP H H 94 8.955 8.083 0.872 1
1 1128 . 20 1 1 A 94 94 ASP CA C 94 56.851 56.896 -0.045 1
1 1129 . 20 1 1 A 94 94 ASP HA H 94 4.222 4.481 -0.259 1
1 1130 . 20 1 1 A 94 94 ASP CB C 94 39.733 40.997 -1.264 1
1 1133 . 20 1 1 A 94 94 ASP C C 94 178.344 178.213 0.131 1
1 1134 . 20 1 1 A 95 95 VAL N N 95 121.559 121.080 0.479 1
1 1135 . 20 1 1 A 95 95 VAL H H 95 6.935 7.811 -0.876 1
1 1136 . 20 1 1 A 95 95 VAL CA C 95 66.007 66.123 -0.116 1
1 1137 . 20 1 1 A 95 95 VAL HA H 95 3.378 3.637 -0.259 1
1 1138 . 20 1 1 A 95 95 VAL CB C 95 31.712 30.998 0.714 1
1 1148 . 20 1 1 A 95 95 VAL C C 95 177.153 177.711 -0.558 1
1 1149 . 20 1 1 A 96 96 MET N N 96 118.492 118.120 0.372 1
1 1150 . 20 1 1 A 96 96 MET H H 96 7.993 7.579 0.414 1
1 1151 . 20 1 1 A 96 96 MET CA C 96 60.318 58.379 1.939 1
1 1152 . 20 1 1 A 96 96 MET HA H 96 3.037 3.658 -0.621 1
1 1153 . 20 1 1 A 96 96 MET CB C 96 33.348 32.980 0.368 1
1 1163 . 20 1 1 A 96 96 MET C C 96 176.993 178.049 -1.056 1
1 1164 . 20 1 1 A 97 97 ARG N N 97 116.593 117.894 -1.301 1
1 1165 . 20 1 1 A 97 97 ARG H H 97 7.668 7.806 -0.138 1
1 1166 . 20 1 1 A 97 97 ARG CA C 97 60.372 58.976 1.396 1
1 1167 . 20 1 1 A 97 97 ARG HA H 97 3.772 4.037 -0.265 1
1 1168 . 20 1 1 A 97 97 ARG CB C 97 29.627 30.118 -0.491 1
1 1177 . 20 1 1 A 97 97 ARG C C 97 177.718 178.331 -0.613 1
1 1178 . 20 1 1 A 98 98 LYS N N 98 118.000 119.265 -1.265 1
1 1179 . 20 1 1 A 98 98 LYS H H 98 7.279 7.676 -0.397 1
1 1180 . 20 1 1 A 98 98 LYS CA C 98 59.942 59.120 0.822 1
1 1181 . 20 1 1 A 98 98 LYS HA H 98 4.035 3.977 0.058 1
1 1182 . 20 1 1 A 98 98 LYS CB C 98 33.307 32.360 0.947 1
1 1194 . 20 1 1 A 98 98 LYS C C 98 178.861 179.103 -0.242 1
1 1195 . 20 1 1 A 99 99 ILE N N 99 119.736 120.921 -1.185 1
1 1196 . 20 1 1 A 99 99 ILE H H 99 8.298 7.704 0.594 1
1 1197 . 20 1 1 A 99 99 ILE CA C 99 65.451 65.625 -0.174 1
1 1198 . 20 1 1 A 99 99 ILE HA H 99 3.473 3.585 -0.112 1
1 1199 . 20 1 1 A 99 99 ILE CB C 99 38.088 37.439 0.649 1
1 1212 . 20 1 1 A 99 99 ILE C C 99 181.472 177.927 3.545 1
1 1213 . 20 1 1 A 100 100 ALA N N 100 124.832 121.350 3.482 1
1 1214 . 20 1 1 A 100 100 ALA H H 100 8.473 8.046 0.427 1
1 1215 . 20 1 1 A 100 100 ALA CA C 100 54.623 54.446 0.177 1
1 1216 . 20 1 1 A 100 100 ALA HA H 100 4.481 4.141 0.340 1
1 1217 . 20 1 1 A 100 100 ALA CB C 100 19.106 18.373 0.733 1
1 1221 . 20 1 1 A 100 100 ALA C C 100 177.755 178.972 -1.217 1
1 1222 . 20 1 1 A 101 101 GLN N N 101 113.891 114.790 -0.899 1
1 1223 . 20 1 1 A 101 101 GLN H H 101 7.665 7.434 0.231 1
1 1224 . 20 1 1 A 101 101 GLN CA C 101 55.681 55.448 0.233 1
1 1225 . 20 1 1 A 101 101 GLN HA H 101 4.378 4.442 -0.064 1
1 1226 . 20 1 1 A 101 101 GLN CB C 101 28.879 28.795 0.084 1
1 1235 . 20 1 1 A 101 101 GLN C C 101 175.604 175.195 0.409 1
1 1236 . 20 1 1 A 102 102 CYS N N 102 114.274 117.832 -3.558 1
1 1237 . 20 1 1 A 102 102 CYS H H 102 8.300 8.358 -0.058 1
1 1238 . 20 1 1 A 102 102 CYS CA C 102 58.700 60.009 -1.309 1
1 1239 . 20 1 1 A 102 102 CYS HA H 102 4.030 4.142 -0.112 1
1 1240 . 20 1 1 A 102 102 CYS CB C 102 24.987 26.160 -1.173 1
1 1243 . 20 1 1 A 102 102 CYS C C 102 174.186 173.431 0.755 1
1 1244 . 20 1 1 A 103 103 ALA N N 103 123.512 121.619 1.893 1
1 1245 . 20 1 1 A 103 103 ALA H H 103 8.175 7.537 0.638 1
1 1246 . 20 1 1 A 103 103 ALA CA C 103 50.841 49.006 1.835 1
1 1247 . 20 1 1 A 103 103 ALA HA H 103 4.458 4.574 -0.116 1
1 1248 . 20 1 1 A 103 103 ALA CB C 103 18.353 20.222 -1.869 1
1 1252 . 20 1 1 A 103 103 ALA C C 103 175.904 176.191 -0.287 1
1 1253 . 20 1 1 A 104 104 PRO CA C 104 64.290 63.835 0.455 1
1 1254 . 20 1 1 A 104 104 PRO HA H 104 4.315 4.292 0.023 1
1 1255 . 20 1 1 A 104 104 PRO CB C 104 32.028 31.339 0.689 1
1 1264 . 20 1 1 A 104 104 PRO C C 104 178.173 177.419 0.754 1
1 1265 . 20 1 1 A 105 105 GLY N N 105 113.466 111.602 1.864 1
1 1266 . 20 1 1 A 105 105 GLY H H 105 9.036 8.536 0.500 1
1 1267 . 20 1 1 A 105 105 GLY CA C 105 45.935 45.718 0.217 1
1 1268 . 20 1 1 A 105 105 GLY HA2 H 105 4.044 3.952 0.092 1
1 1269 . 20 1 1 A 105 105 GLY HA3 H 105 3.832 3.954 -0.122 1
1 1270 . 20 1 1 A 105 105 GLY C C 105 174.928 175.863 -0.935 1
1 1271 . 20 1 1 A 106 106 VAL N N 106 117.991 120.767 -2.776 1
1 1272 . 20 1 1 A 106 106 VAL H H 106 6.964 8.180 -1.216 1
1 1273 . 20 1 1 A 106 106 VAL CA C 106 66.071 65.812 0.259 1
1 1274 . 20 1 1 A 106 106 VAL HA H 106 3.842 3.606 0.236 1
1 1275 . 20 1 1 A 106 106 VAL CB C 106 31.337 31.625 -0.288 1
1 1285 . 20 1 1 A 106 106 VAL C C 106 178.061 177.678 0.383 1
1 1286 . 20 1 1 A 107 107 VAL N N 107 121.474 120.341 1.133 1
1 1287 . 20 1 1 A 107 107 VAL H H 107 9.039 8.217 0.822 1
1 1288 . 20 1 1 A 107 107 VAL CA C 107 65.971 65.357 0.614 1
1 1289 . 20 1 1 A 107 107 VAL HA H 107 3.743 3.701 0.042 1
1 1290 . 20 1 1 A 107 107 VAL CB C 107 30.959 31.261 -0.302 1
1 1300 . 20 1 1 A 107 107 VAL C C 107 177.629 177.714 -0.085 1
1 1301 . 20 1 1 A 108 108 GLU N N 108 126.242 121.250 4.992 1
1 1302 . 20 1 1 A 108 108 GLU H H 108 11.107 8.450 2.657 1
1 1303 . 20 1 1 A 108 108 GLU CA C 108 62.429 59.480 2.949 1
1 1304 . 20 1 1 A 108 108 GLU HA H 108 3.584 4.050 -0.466 1
1 1305 . 20 1 1 A 108 108 GLU CB C 108 28.863 29.201 -0.338 1
1 1311 . 20 1 1 A 108 108 GLU C C 108 176.878 178.995 -2.117 1
1 1312 . 20 1 1 A 109 109 LEU N N 109 114.111 120.149 -6.038 1
1 1313 . 20 1 1 A 109 109 LEU H H 109 7.474 8.262 -0.788 1
1 1314 . 20 1 1 A 109 109 LEU CA C 109 56.293 57.805 -1.512 1
1 1315 . 20 1 1 A 109 109 LEU HA H 109 4.024 4.012 0.012 1
1 1316 . 20 1 1 A 109 109 LEU CB C 109 40.846 41.473 -0.627 1
1 1329 . 20 1 1 A 109 109 LEU C C 109 178.647 178.986 -0.339 1
1 1330 . 20 1 1 A 110 110 VAL N N 110 116.984 118.761 -1.777 1
1 1331 . 20 1 1 A 110 110 VAL H H 110 7.557 7.822 -0.265 1
1 1332 . 20 1 1 A 110 110 VAL CA C 110 64.274 65.276 -1.002 1
1 1333 . 20 1 1 A 110 110 VAL HA H 110 4.206 3.984 0.222 1
1 1334 . 20 1 1 A 110 110 VAL CB C 110 33.070 31.858 1.212 1
1 1344 . 20 1 1 A 110 110 VAL C C 110 176.435 178.362 -1.927 1
1 1345 . 20 1 1 A 111 111 LEU N N 111 118.461 119.884 -1.423 1
1 1346 . 20 1 1 A 111 111 LEU H H 111 8.453 8.301 0.152 1
1 1347 . 20 1 1 A 111 111 LEU CA C 111 58.047 57.606 0.441 1
1 1348 . 20 1 1 A 111 111 LEU HA H 111 4.003 4.123 -0.120 1
1 1349 . 20 1 1 A 111 111 LEU CB C 111 43.552 41.079 2.473 1
1 1362 . 20 1 1 A 111 111 LEU C C 111 177.274 179.308 -2.034 1
1 1363 . 20 1 1 A 112 112 ILE N N 112 115.835 120.307 -4.472 1
1 1364 . 20 1 1 A 112 112 ILE H H 112 7.850 7.968 -0.118 1
1 1365 . 20 1 1 A 112 112 ILE CA C 112 67.843 66.341 1.502 1
1 1366 . 20 1 1 A 112 112 ILE HA H 112 3.636 3.619 0.017 1
1 1367 . 20 1 1 A 112 112 ILE CB C 112 36.504 35.735 0.769 1
1 1380 . 20 1 1 A 112 112 ILE C C 112 176.487 175.094 1.393 1
1 1381 . 20 1 1 A 113 113 PRO CA C 113 64.872 65.660 -0.788 1
1 1382 . 20 1 1 A 113 113 PRO HA H 113 4.420 4.186 0.234 1
1 1383 . 20 1 1 A 113 113 PRO CB C 113 30.348 30.562 -0.214 1
1 1392 . 20 1 1 A 113 113 PRO C C 113 179.001 178.537 0.464 1
1 1393 . 20 1 1 A 114 114 LEU N N 114 120.690 118.086 2.604 1
1 1394 . 20 1 1 A 114 114 LEU H H 114 7.672 7.492 0.180 1
1 1395 . 20 1 1 A 114 114 LEU CA C 114 58.337 57.632 0.705 1
1 1396 . 20 1 1 A 114 114 LEU HA H 114 3.490 3.674 -0.184 1
1 1397 . 20 1 1 A 114 114 LEU CB C 114 41.840 41.758 0.082 1
1 1410 . 20 1 1 A 114 114 LEU C C 114 177.486 178.147 -0.661 1
1 1411 . 20 1 1 A 115 115 ARG N N 115 119.039 118.928 0.111 1
1 1412 . 20 1 1 A 115 115 ARG H H 115 8.159 7.521 0.638 1
1 1413 . 20 1 1 A 115 115 ARG CA C 115 60.199 59.377 0.822 1
1 1414 . 20 1 1 A 115 115 ARG HA H 115 3.215 3.408 -0.193 1
1 1415 . 20 1 1 A 115 115 ARG CB C 115 28.049 28.607 -0.558 1
1 1426 . 20 1 1 A 115 115 ARG C C 115 177.460 178.499 -1.039 1
1 1427 . 20 1 1 A 116 116 GLN N N 116 115.221 118.192 -2.971 1
1 1428 . 20 1 1 A 116 116 GLN H H 116 6.825 7.484 -0.659 1
1 1429 . 20 1 1 A 116 116 GLN CA C 116 58.838 58.398 0.440 1
1 1430 . 20 1 1 A 116 116 GLN HA H 116 3.830 3.878 -0.048 1
1 1431 . 20 1 1 A 116 116 GLN CB C 116 27.871 28.337 -0.466 1
1 1440 . 20 1 1 A 116 116 GLN C C 116 178.648 178.573 0.075 1
1 1441 . 20 1 1 A 117 117 ARG N N 117 118.476 120.155 -1.679 1
1 1442 . 20 1 1 A 117 117 ARG H H 117 8.028 7.631 0.397 1
1 1443 . 20 1 1 A 117 117 ARG CA C 117 57.607 59.160 -1.553 1
1 1444 . 20 1 1 A 117 117 ARG HA H 117 4.117 4.017 0.100 1
1 1445 . 20 1 1 A 117 117 ARG CB C 117 30.040 30.463 -0.423 1
1 1454 . 20 1 1 A 117 117 ARG C C 117 179.370 178.284 1.086 1
1 1455 . 20 1 1 A 118 118 LEU N N 118 120.407 120.252 0.155 1
1 1456 . 20 1 1 A 118 118 LEU H H 118 8.533 7.925 0.608 1
1 1457 . 20 1 1 A 118 118 LEU CA C 118 58.295 57.834 0.461 1
1 1458 . 20 1 1 A 118 118 LEU HA H 118 3.950 3.970 -0.020 1
1 1459 . 20 1 1 A 118 118 LEU CB C 118 40.472 40.969 -0.497 1
1 1472 . 20 1 1 A 118 118 LEU C C 118 178.577 179.164 -0.587 1
1 1473 . 20 1 1 A 119 119 GLU N N 119 116.858 117.364 -0.506 1
1 1474 . 20 1 1 A 119 119 GLU H H 119 8.220 7.917 0.303 1
1 1475 . 20 1 1 A 119 119 GLU CA C 119 59.441 59.798 -0.357 1
1 1476 . 20 1 1 A 119 119 GLU HA H 119 4.047 3.788 0.259 1
1 1477 . 20 1 1 A 119 119 GLU CB C 119 29.271 29.431 -0.160 1
1 1483 . 20 1 1 A 119 119 GLU C C 119 179.631 179.177 0.454 1
1 1484 . 20 1 1 A 120 120 GLU N N 120 119.797 120.201 -0.404 1
1 1485 . 20 1 1 A 120 120 GLU H H 120 8.199 7.994 0.205 1
1 1486 . 20 1 1 A 120 120 GLU CA C 120 59.223 59.579 -0.356 1
1 1487 . 20 1 1 A 120 120 GLU HA H 120 4.062 4.022 0.040 1
1 1488 . 20 1 1 A 120 120 GLU CB C 120 29.562 29.135 0.427 1
1 1494 . 20 1 1 A 120 120 GLU C C 120 178.823 179.317 -0.494 1
1 1495 . 20 1 1 A 121 121 ARG N N 121 118.760 119.017 -0.257 1
1 1496 . 20 1 1 A 121 121 ARG H H 121 7.928 8.007 -0.079 1
1 1497 . 20 1 1 A 121 121 ARG CA C 121 58.065 59.693 -1.628 1
1 1498 . 20 1 1 A 121 121 ARG HA H 121 4.136 4.187 -0.051 1
1 1499 . 20 1 1 A 121 121 ARG CB C 121 29.478 30.124 -0.646 1
1 1508 . 20 1 1 A 121 121 ARG C C 121 178.426 178.802 -0.376 1
1 1509 . 20 1 1 A 122 122 GLN N N 122 119.430 119.622 -0.192 1
1 1510 . 20 1 1 A 122 122 GLN H H 122 8.323 7.963 0.360 1
1 1511 . 20 1 1 A 122 122 GLN CA C 122 58.489 59.229 -0.740 1
1 1512 . 20 1 1 A 122 122 GLN HA H 122 4.352 4.118 0.234 1
1 1513 . 20 1 1 A 122 122 GLN CB C 122 29.611 28.720 0.891 1
1 1522 . 20 1 1 A 122 122 GLN C C 122 177.291 178.010 -0.719 1
1 1523 . 20 1 1 A 123 123 ARG N N 123 118.341 118.563 -0.222 1
1 1524 . 20 1 1 A 123 123 ARG H H 123 7.920 7.913 0.007 1
1 1525 . 20 1 1 A 123 123 ARG CA C 123 57.695 59.191 -1.496 1
1 1526 . 20 1 1 A 123 123 ARG HA H 123 4.266 4.117 0.149 1
1 1527 . 20 1 1 A 123 123 ARG CB C 123 30.671 30.077 0.594 1
1 1536 . 20 1 1 A 123 123 ARG C C 123 177.214 176.747 0.467 1
1 1537 . 20 1 1 A 124 124 ARG N N 124 119.452 119.555 -0.103 1
1 1538 . 20 1 1 A 124 124 ARG H H 124 7.850 7.763 0.087 1
1 1539 . 20 1 1 A 124 124 ARG CA C 124 56.814 55.458 1.356 1
1 1540 . 20 1 1 A 124 124 ARG HA H 124 4.300 4.403 -0.103 1
1 1541 . 20 1 1 A 124 124 ARG CB C 124 30.672 29.960 0.712 1
1 1550 . 20 1 1 A 124 124 ARG C C 124 176.540 175.752 0.788 1
1 1551 . 20 1 1 A 125 125 ARG N N 125 120.963 123.599 -2.636 1
1 1552 . 20 1 1 A 125 125 ARG H H 125 8.081 8.159 -0.078 1
1 1553 . 20 1 1 A 125 125 ARG CA C 125 56.514 56.055 0.459 1
1 1554 . 20 1 1 A 125 125 ARG HA H 125 4.355 4.474 -0.119 1
1 1555 . 20 1 1 A 125 125 ARG CB C 125 30.694 30.493 0.201 1
1 1564 . 20 1 1 A 125 125 ARG C C 125 176.133 175.295 0.838 1
1 1565 . 20 1 1 A 126 126 LYS N N 126 122.811 123.223 -0.412 1
1 1566 . 20 1 1 A 126 126 LYS H H 126 8.252 8.593 -0.341 1
1 1567 . 20 1 1 A 126 126 LYS CA C 126 56.430 54.980 1.450 1
1 1568 . 20 1 1 A 126 126 LYS HA H 126 4.351 4.890 -0.539 1
1 1569 . 20 1 1 A 126 126 LYS CB C 126 33.017 36.170 -3.153 1
1 1581 . 20 1 1 A 126 126 LYS C C 126 175.649 174.621 1.028 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 109 1.173 1
2 1 1 1 "RMS(OBS, PRED)" CA 118 1.220 1
3 1 1 1 "RMS(OBS, PRED)" CB 115 1.167 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.637 1
5 1 1 1 "RMS(OBS, PRED)" HA 124 0.271 1
6 1 1 1 "RMS(OBS, PRED)" N 106 2.613 1
7 1 2 1 "RMS(OBS, PRED)" C 109 1.144 1
8 1 2 1 "RMS(OBS, PRED)" CA 118 1.220 1
9 1 2 1 "RMS(OBS, PRED)" CB 115 1.162 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.620 1
11 1 2 1 "RMS(OBS, PRED)" HA 124 0.247 1
12 1 2 1 "RMS(OBS, PRED)" N 106 2.696 1
13 1 3 1 "RMS(OBS, PRED)" C 109 1.159 1
14 1 3 1 "RMS(OBS, PRED)" CA 118 1.295 1
15 1 3 1 "RMS(OBS, PRED)" CB 115 1.293 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.603 1
17 1 3 1 "RMS(OBS, PRED)" HA 124 0.299 1
18 1 3 1 "RMS(OBS, PRED)" N 106 2.684 1
19 1 4 1 "RMS(OBS, PRED)" C 109 1.190 1
20 1 4 1 "RMS(OBS, PRED)" CA 118 1.286 1
21 1 4 1 "RMS(OBS, PRED)" CB 115 1.215 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.621 1
23 1 4 1 "RMS(OBS, PRED)" HA 124 0.284 1
24 1 4 1 "RMS(OBS, PRED)" N 106 2.864 1
25 1 5 1 "RMS(OBS, PRED)" C 109 1.141 1
26 1 5 1 "RMS(OBS, PRED)" CA 118 1.192 1
27 1 5 1 "RMS(OBS, PRED)" CB 115 1.230 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.620 1
29 1 5 1 "RMS(OBS, PRED)" HA 124 0.269 1
30 1 5 1 "RMS(OBS, PRED)" N 106 2.661 1
31 1 6 1 "RMS(OBS, PRED)" C 109 1.102 1
32 1 6 1 "RMS(OBS, PRED)" CA 118 1.207 1
33 1 6 1 "RMS(OBS, PRED)" CB 115 1.292 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.613 1
35 1 6 1 "RMS(OBS, PRED)" HA 124 0.281 1
36 1 6 1 "RMS(OBS, PRED)" N 106 2.896 1
37 1 7 1 "RMS(OBS, PRED)" C 109 1.265 1
38 1 7 1 "RMS(OBS, PRED)" CA 118 1.338 1
39 1 7 1 "RMS(OBS, PRED)" CB 115 1.399 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.633 1
41 1 7 1 "RMS(OBS, PRED)" HA 124 0.296 1
42 1 7 1 "RMS(OBS, PRED)" N 106 2.954 1
43 1 8 1 "RMS(OBS, PRED)" C 109 1.130 1
44 1 8 1 "RMS(OBS, PRED)" CA 118 1.443 1
45 1 8 1 "RMS(OBS, PRED)" CB 115 1.433 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.616 1
47 1 8 1 "RMS(OBS, PRED)" HA 124 0.286 1
48 1 8 1 "RMS(OBS, PRED)" N 106 2.607 1
49 1 9 1 "RMS(OBS, PRED)" C 109 1.218 1
50 1 9 1 "RMS(OBS, PRED)" CA 118 1.336 1
51 1 9 1 "RMS(OBS, PRED)" CB 115 1.308 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.653 1
53 1 9 1 "RMS(OBS, PRED)" HA 124 0.284 1
54 1 9 1 "RMS(OBS, PRED)" N 106 2.703 1
55 1 10 1 "RMS(OBS, PRED)" C 109 1.207 1
56 1 10 1 "RMS(OBS, PRED)" CA 118 1.525 1
57 1 10 1 "RMS(OBS, PRED)" CB 115 1.286 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.597 1
59 1 10 1 "RMS(OBS, PRED)" HA 124 0.290 1
60 1 10 1 "RMS(OBS, PRED)" N 106 2.603 1
61 1 11 1 "RMS(OBS, PRED)" C 109 1.127 1
62 1 11 1 "RMS(OBS, PRED)" CA 118 1.250 1
63 1 11 1 "RMS(OBS, PRED)" CB 115 1.385 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.657 1
65 1 11 1 "RMS(OBS, PRED)" HA 124 0.274 1
66 1 11 1 "RMS(OBS, PRED)" N 106 2.379 1
67 1 12 1 "RMS(OBS, PRED)" C 109 1.175 1
68 1 12 1 "RMS(OBS, PRED)" CA 118 1.157 1
69 1 12 1 "RMS(OBS, PRED)" CB 115 1.255 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.654 1
71 1 12 1 "RMS(OBS, PRED)" HA 124 0.265 1
72 1 12 1 "RMS(OBS, PRED)" N 106 2.388 1
73 1 13 1 "RMS(OBS, PRED)" C 109 1.138 1
74 1 13 1 "RMS(OBS, PRED)" CA 118 1.406 1
75 1 13 1 "RMS(OBS, PRED)" CB 115 1.373 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.634 1
77 1 13 1 "RMS(OBS, PRED)" HA 124 0.299 1
78 1 13 1 "RMS(OBS, PRED)" N 106 2.986 1
79 1 14 1 "RMS(OBS, PRED)" C 109 1.141 1
80 1 14 1 "RMS(OBS, PRED)" CA 118 1.245 1
81 1 14 1 "RMS(OBS, PRED)" CB 115 1.197 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.651 1
83 1 14 1 "RMS(OBS, PRED)" HA 124 0.261 1
84 1 14 1 "RMS(OBS, PRED)" N 106 2.820 1
85 1 15 1 "RMS(OBS, PRED)" C 109 1.138 1
86 1 15 1 "RMS(OBS, PRED)" CA 118 1.177 1
87 1 15 1 "RMS(OBS, PRED)" CB 115 1.204 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.597 1
89 1 15 1 "RMS(OBS, PRED)" HA 124 0.244 1
90 1 15 1 "RMS(OBS, PRED)" N 106 2.647 1
91 1 16 1 "RMS(OBS, PRED)" C 109 1.187 1
92 1 16 1 "RMS(OBS, PRED)" CA 118 1.355 1
93 1 16 1 "RMS(OBS, PRED)" CB 115 1.381 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.663 1
95 1 16 1 "RMS(OBS, PRED)" HA 124 0.313 1
96 1 16 1 "RMS(OBS, PRED)" N 106 3.191 1
97 1 17 1 "RMS(OBS, PRED)" C 109 1.188 1
98 1 17 1 "RMS(OBS, PRED)" CA 118 1.354 1
99 1 17 1 "RMS(OBS, PRED)" CB 115 1.293 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.652 1
101 1 17 1 "RMS(OBS, PRED)" HA 124 0.279 1
102 1 17 1 "RMS(OBS, PRED)" N 106 3.086 1
103 1 18 1 "RMS(OBS, PRED)" C 109 1.125 1
104 1 18 1 "RMS(OBS, PRED)" CA 118 1.221 1
105 1 18 1 "RMS(OBS, PRED)" CB 115 1.539 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.626 1
107 1 18 1 "RMS(OBS, PRED)" HA 124 0.293 1
108 1 18 1 "RMS(OBS, PRED)" N 106 3.233 1
109 1 19 1 "RMS(OBS, PRED)" C 109 1.218 1
110 1 19 1 "RMS(OBS, PRED)" CA 118 1.290 1
111 1 19 1 "RMS(OBS, PRED)" CB 115 1.268 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.615 1
113 1 19 1 "RMS(OBS, PRED)" HA 124 0.259 1
114 1 19 1 "RMS(OBS, PRED)" N 106 2.963 1
115 1 20 1 "RMS(OBS, PRED)" C 109 1.144 1
116 1 20 1 "RMS(OBS, PRED)" CA 118 1.463 1
117 1 20 1 "RMS(OBS, PRED)" CB 115 1.338 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.591 1
119 1 20 1 "RMS(OBS, PRED)" HA 124 0.292 1
120 1 20 1 "RMS(OBS, PRED)" N 106 2.713 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER CA C 6 58.715 57.975 0.740 2
1 2 . 1 1 A 6 6 SER HA H 6 4.472 4.818 -0.346 2
1 3 . 1 1 A 6 6 SER CB C 6 63.934 64.833 -0.899 2
1 6 . 1 1 A 6 6 SER C C 6 174.927 174.014 0.913 2
1 7 . 1 1 A 7 7 GLY N N 7 110.435 110.525 -0.090 2
1 8 . 1 1 A 7 7 GLY H H 7 8.348 8.309 0.039 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.364 45.575 -0.211 2
1 10 . 1 1 A 7 7 GLY HA2 H 7 3.919 4.089 -0.170 2
1 11 . 1 1 A 7 7 GLY HA3 H 7 3.919 4.090 -0.171 2
1 12 . 1 1 A 7 7 GLY C C 7 173.952 172.972 0.980 2
1 13 . 1 1 A 8 8 MET N N 8 119.481 121.234 -1.753 2
1 14 . 1 1 A 8 8 MET H H 8 8.163 8.517 -0.354 2
1 15 . 1 1 A 8 8 MET CA C 8 55.472 54.722 0.750 2
1 16 . 1 1 A 8 8 MET HA H 8 4.486 4.831 -0.345 2
1 17 . 1 1 A 8 8 MET CB C 8 33.598 34.199 -0.601 2
1 27 . 1 1 A 8 8 MET C C 8 176.019 174.985 1.034 2
1 28 . 1 1 A 9 9 ALA N N 9 125.433 125.625 -0.192 2
1 29 . 1 1 A 9 9 ALA H H 9 8.436 8.404 0.032 2
1 30 . 1 1 A 9 9 ALA CA C 9 52.481 51.704 0.777 2
1 31 . 1 1 A 9 9 ALA HA H 9 4.381 4.532 -0.151 2
1 32 . 1 1 A 9 9 ALA CB C 9 19.322 20.349 -1.027 2
1 36 . 1 1 A 9 9 ALA C C 9 177.349 176.936 0.413 2
1 37 . 1 1 A 10 10 SER N N 10 114.383 117.075 -2.692 2
1 38 . 1 1 A 10 10 SER H H 10 8.372 8.606 -0.234 2
1 39 . 1 1 A 10 10 SER CA C 10 58.607 58.298 0.309 2
1 40 . 1 1 A 10 10 SER HA H 10 4.470 4.769 -0.299 2
1 41 . 1 1 A 10 10 SER CB C 10 63.979 65.092 -1.113 2
1 44 . 1 1 A 10 10 SER C C 10 174.323 173.507 0.816 2
1 45 . 1 1 A 11 11 SER N N 11 116.549 117.760 -1.210 2
1 46 . 1 1 A 11 11 SER H H 11 8.111 8.500 -0.389 2
1 47 . 1 1 A 11 11 SER CA C 11 58.189 57.827 0.362 2
1 48 . 1 1 A 11 11 SER HA H 11 4.487 4.663 -0.176 2
1 49 . 1 1 A 11 11 SER CB C 11 64.081 64.987 -0.906 2
1 52 . 1 1 A 11 11 SER C C 11 173.692 174.206 -0.514 2
1 53 . 1 1 A 12 12 VAL N N 12 120.502 121.927 -1.425 2
1 54 . 1 1 A 12 12 VAL H H 12 8.207 8.400 -0.193 2
1 55 . 1 1 A 12 12 VAL CA C 12 61.847 62.849 -1.002 2
1 56 . 1 1 A 12 12 VAL HA H 12 4.150 4.055 0.095 2
1 57 . 1 1 A 12 12 VAL CB C 12 33.269 31.631 1.637 2
1 67 . 1 1 A 12 12 VAL C C 12 174.930 175.337 -0.407 2
1 68 . 1 1 A 13 13 ASP N N 13 124.104 124.942 -0.838 2
1 69 . 1 1 A 13 13 ASP H H 13 7.953 8.424 -0.471 2
1 70 . 1 1 A 13 13 ASP CA C 13 53.249 53.215 0.034 2
1 71 . 1 1 A 13 13 ASP HA H 13 4.661 4.840 -0.179 2
1 72 . 1 1 A 13 13 ASP CB C 13 41.891 42.659 -0.768 2
1 75 . 1 1 A 13 13 ASP C C 13 176.009 177.083 -1.074 2
1 76 . 1 1 A 14 14 GLU N N 14 120.197 121.585 -1.388 2
1 77 . 1 1 A 14 14 GLU H H 14 8.568 8.956 -0.388 2
1 78 . 1 1 A 14 14 GLU CA C 14 59.932 59.474 0.459 2
1 79 . 1 1 A 14 14 GLU HA H 14 3.944 4.003 -0.059 2
1 80 . 1 1 A 14 14 GLU CB C 14 29.670 29.275 0.395 2
1 86 . 1 1 A 14 14 GLU C C 14 178.863 178.727 0.136 2
1 87 . 1 1 A 15 15 GLU N N 15 120.713 119.409 1.304 2
1 88 . 1 1 A 15 15 GLU H H 15 8.312 8.331 -0.019 2
1 89 . 1 1 A 15 15 GLU CA C 15 59.101 59.417 -0.316 2
1 90 . 1 1 A 15 15 GLU HA H 15 4.244 4.095 0.149 2
1 91 . 1 1 A 15 15 GLU CB C 15 28.917 29.395 -0.478 2
1 97 . 1 1 A 15 15 GLU C C 15 178.511 178.659 -0.148 2
1 98 . 1 1 A 16 16 ALA N N 16 123.041 122.110 0.931 2
1 99 . 1 1 A 16 16 ALA H H 16 8.047 7.961 0.086 2
1 100 . 1 1 A 16 16 ALA CA C 16 54.830 55.145 -0.315 2
1 101 . 1 1 A 16 16 ALA HA H 16 4.093 4.115 -0.022 2
1 102 . 1 1 A 16 16 ALA CB C 16 18.371 18.398 -0.027 2
1 106 . 1 1 A 16 16 ALA C C 16 181.428 180.106 1.322 2
1 107 . 1 1 A 17 17 LEU N N 17 119.436 118.407 1.029 2
1 108 . 1 1 A 17 17 LEU H H 17 8.042 7.919 0.123 2
1 109 . 1 1 A 17 17 LEU CA C 17 57.623 57.966 -0.343 2
1 110 . 1 1 A 17 17 LEU HA H 17 3.838 3.918 -0.080 2
1 111 . 1 1 A 17 17 LEU CB C 17 41.323 42.027 -0.704 2
1 124 . 1 1 A 17 17 LEU C C 17 177.590 178.906 -1.316 2
1 125 . 1 1 A 18 18 HIS N N 18 118.394 117.822 0.572 2
1 126 . 1 1 A 18 18 HIS H H 18 8.182 8.180 0.002 2
1 127 . 1 1 A 18 18 HIS CA C 18 59.415 60.143 -0.728 2
1 128 . 1 1 A 18 18 HIS HA H 18 4.435 4.074 0.361 2
1 129 . 1 1 A 18 18 HIS CB C 18 29.560 29.751 -0.191 2
1 136 . 1 1 A 18 18 HIS C C 18 178.114 176.717 1.397 2
1 137 . 1 1 A 19 19 GLN N N 19 115.623 117.041 -1.419 2
1 138 . 1 1 A 19 19 GLN H H 19 8.178 8.126 0.052 2
1 139 . 1 1 A 19 19 GLN CA C 19 58.406 59.064 -0.658 2
1 140 . 1 1 A 19 19 GLN HA H 19 3.904 3.785 0.119 2
1 141 . 1 1 A 19 19 GLN CB C 19 28.118 28.300 -0.182 2
1 150 . 1 1 A 19 19 GLN C C 19 179.132 178.388 0.744 2
1 151 . 1 1 A 20 20 LEU N N 20 122.817 121.386 1.431 2
1 152 . 1 1 A 20 20 LEU H H 20 7.949 7.942 0.007 2
1 153 . 1 1 A 20 20 LEU CA C 20 58.278 57.781 0.497 2
1 154 . 1 1 A 20 20 LEU HA H 20 4.233 4.145 0.088 2
1 155 . 1 1 A 20 20 LEU CB C 20 40.850 41.814 -0.964 2
1 168 . 1 1 A 20 20 LEU C C 20 178.466 178.286 0.180 2
1 169 . 1 1 A 21 21 TYR N N 21 118.825 118.929 -0.104 2
1 170 . 1 1 A 21 21 TYR H H 21 8.376 8.149 0.227 2
1 171 . 1 1 A 21 21 TYR CA C 21 60.605 61.011 -0.406 2
1 172 . 1 1 A 21 21 TYR HA H 21 4.286 4.321 -0.035 2
1 173 . 1 1 A 21 21 TYR CB C 21 36.667 38.027 -1.360 2
1 184 . 1 1 A 21 21 TYR C C 21 178.654 178.308 0.346 2
1 185 . 1 1 A 22 22 LEU N N 22 118.954 120.124 -1.170 2
1 186 . 1 1 A 22 22 LEU H H 22 7.869 8.361 -0.492 2
1 187 . 1 1 A 22 22 LEU CA C 22 57.887 57.867 0.020 2
1 188 . 1 1 A 22 22 LEU HA H 22 4.076 3.972 0.104 2
1 189 . 1 1 A 22 22 LEU CB C 22 42.250 41.780 0.470 2
1 202 . 1 1 A 22 22 LEU C C 22 178.877 178.841 0.036 2
1 203 . 1 1 A 23 23 TRP N N 23 120.668 120.268 0.400 2
1 204 . 1 1 A 23 23 TRP H H 23 7.804 8.049 -0.245 2
1 205 . 1 1 A 23 23 TRP CA C 23 60.711 61.201 -0.490 2
1 206 . 1 1 A 23 23 TRP HA H 23 4.436 4.163 0.273 2
1 207 . 1 1 A 23 23 TRP CB C 23 28.035 29.726 -1.691 2
1 222 . 1 1 A 23 23 TRP C C 23 178.471 178.251 0.220 2
1 223 . 1 1 A 24 24 VAL N N 24 116.831 119.357 -2.526 2
1 224 . 1 1 A 24 24 VAL H H 24 8.503 7.880 0.623 2
1 225 . 1 1 A 24 24 VAL CA C 24 66.014 66.201 -0.187 2
1 226 . 1 1 A 24 24 VAL HA H 24 3.084 2.963 0.121 2
1 227 . 1 1 A 24 24 VAL CB C 24 31.826 31.436 0.390 2
1 237 . 1 1 A 24 24 VAL C C 24 178.212 177.503 0.709 2
1 238 . 1 1 A 25 25 ASP N N 25 117.894 120.200 -2.306 2
1 239 . 1 1 A 25 25 ASP H H 25 8.140 8.213 -0.072 2
1 240 . 1 1 A 25 25 ASP CA C 25 57.043 57.534 -0.491 2
1 241 . 1 1 A 25 25 ASP HA H 25 4.290 4.236 0.054 2
1 242 . 1 1 A 25 25 ASP CB C 25 41.067 41.199 -0.132 2
1 245 . 1 1 A 25 25 ASP C C 25 177.163 178.024 -0.861 2
1 246 . 1 1 A 26 26 ASN N N 26 114.914 116.665 -1.751 2
1 247 . 1 1 A 26 26 ASN H H 26 7.229 8.062 -0.833 2
1 248 . 1 1 A 26 26 ASN CA C 26 53.375 56.337 -2.962 2
1 249 . 1 1 A 26 26 ASN HA H 26 4.607 4.415 0.192 2
1 250 . 1 1 A 26 26 ASN CB C 26 40.048 38.748 1.300 2
1 256 . 1 1 A 26 26 ASN C C 26 174.227 175.892 -1.665 2
1 257 . 1 1 A 27 27 ILE N N 27 123.268 119.547 3.721 2
1 258 . 1 1 A 27 27 ILE H H 27 7.212 7.366 -0.154 2
1 259 . 1 1 A 27 27 ILE CA C 27 58.327 59.944 -1.617 2
1 260 . 1 1 A 27 27 ILE HA H 27 3.628 3.983 -0.355 2
1 261 . 1 1 A 27 27 ILE CB C 27 39.403 37.937 1.466 2
1 274 . 1 1 A 27 27 ILE C C 27 173.764 174.771 -1.007 2
1 275 . 1 1 A 28 28 PRO CA C 28 62.584 62.796 -0.212 2
1 276 . 1 1 A 28 28 PRO HA H 28 4.354 4.644 -0.290 2
1 277 . 1 1 A 28 28 PRO CB C 28 30.056 31.137 -1.081 2
1 286 . 1 1 A 28 28 PRO C C 28 175.419 175.943 -0.524 2
1 287 . 1 1 A 29 29 LEU N N 29 125.355 123.995 1.360 2
1 288 . 1 1 A 29 29 LEU H H 29 8.118 8.282 -0.164 2
1 289 . 1 1 A 29 29 LEU CA C 29 53.358 54.132 -0.774 2
1 290 . 1 1 A 29 29 LEU HA H 29 4.748 4.535 0.213 2
1 291 . 1 1 A 29 29 LEU CB C 29 45.279 43.044 2.235 2
1 304 . 1 1 A 29 29 LEU C C 29 178.577 176.414 2.163 2
1 305 . 1 1 A 31 31 ARG CA C 31 53.250 54.932 -1.682 2
1 306 . 1 1 A 31 31 ARG HA H 31 4.787 4.574 0.213 2
1 307 . 1 1 A 31 31 ARG CB C 31 32.107 31.599 0.508 2
1 316 . 1 1 A 32 32 PRO CA C 32 62.865 62.578 0.287 2
1 317 . 1 1 A 32 32 PRO HA H 32 4.300 4.576 -0.276 2
1 318 . 1 1 A 32 32 PRO CB C 32 32.193 32.701 -0.508 2
1 327 . 1 1 A 33 33 LYS CA C 33 56.154 56.501 -0.347 2
1 328 . 1 1 A 33 33 LYS HA H 33 4.361 4.487 -0.126 2
1 329 . 1 1 A 33 33 LYS CB C 33 32.368 32.623 -0.255 2
1 341 . 1 1 A 34 34 ARG N N 34 122.768 121.466 1.302 2
1 342 . 1 1 A 34 34 ARG H H 34 8.410 8.167 0.243 2
1 343 . 1 1 A 34 34 ARG HA H 34 4.336 4.481 -0.145 2
1 344 . 1 1 A 34 34 ARG CB C 34 31.894 32.186 -0.292 2
1 349 . 1 1 A 35 35 ASN CA C 35 53.153 53.397 -0.244 2
1 350 . 1 1 A 35 35 ASN HA H 35 4.771 4.751 0.020 2
1 351 . 1 1 A 35 35 ASN CB C 35 39.425 39.465 -0.040 2
1 357 . 1 1 A 36 36 LEU N N 36 110.943 125.082 -14.139 2
1 358 . 1 1 A 36 36 LEU H H 36 8.305 8.546 -0.241 2
1 359 . 1 1 A 36 36 LEU CA C 36 60.191 57.714 2.477 2
1 360 . 1 1 A 36 36 LEU HA H 36 4.140 4.145 -0.005 2
1 361 . 1 1 A 36 36 LEU CB C 36 41.876 41.782 0.094 2
1 374 . 1 1 A 37 37 SER CA C 37 61.673 61.497 0.176 2
1 375 . 1 1 A 37 37 SER HA H 37 4.080 4.146 -0.066 2
1 376 . 1 1 A 37 37 SER CB C 37 62.700 62.998 -0.298 2
1 379 . 1 1 A 38 38 ARG N N 38 119.288 121.338 -2.050 2
1 380 . 1 1 A 38 38 ARG H H 38 7.773 7.907 -0.134 2
1 381 . 1 1 A 38 38 ARG HA H 38 4.587 4.172 0.415 2
1 384 . 1 1 A 39 39 ASP N N 39 121.607 119.481 2.126 2
1 385 . 1 1 A 39 39 ASP H H 39 9.487 8.131 1.356 2
1 386 . 1 1 A 39 39 ASP CA C 39 58.026 57.050 0.976 2
1 387 . 1 1 A 39 39 ASP HA H 39 4.518 4.382 0.136 2
1 388 . 1 1 A 39 39 ASP CB C 39 40.039 40.854 -0.815 2
1 391 . 1 1 A 40 40 PHE N N 40 115.310 118.654 -3.344 2
1 392 . 1 1 A 40 40 PHE H H 40 8.300 8.492 -0.192 2
1 393 . 1 1 A 40 40 PHE CA C 40 59.420 60.712 -1.292 2
1 394 . 1 1 A 40 40 PHE HA H 40 4.605 4.298 0.307 2
1 395 . 1 1 A 40 40 PHE CB C 40 39.030 38.753 0.277 2
1 408 . 1 1 A 41 41 SER N N 41 115.417 115.234 0.183 2
1 409 . 1 1 A 41 41 SER H H 41 7.441 8.513 -1.072 2
1 410 . 1 1 A 41 41 SER CA C 41 62.290 61.752 0.538 2
1 411 . 1 1 A 41 41 SER HA H 41 4.341 4.345 -0.004 2
1 412 . 1 1 A 41 41 SER CB C 41 64.510 63.095 1.415 2
1 415 . 1 1 A 42 42 ASP N N 42 117.563 119.278 -1.715 2
1 416 . 1 1 A 42 42 ASP H H 42 8.726 8.041 0.685 2
1 417 . 1 1 A 42 42 ASP CA C 42 53.746 54.505 -0.759 2
1 418 . 1 1 A 42 42 ASP HA H 42 4.780 4.778 0.002 2
1 419 . 1 1 A 42 42 ASP CB C 42 42.695 41.083 1.612 2
1 422 . 1 1 A 42 42 ASP C C 42 176.013 176.633 -0.620 2
1 423 . 1 1 A 43 43 GLY N N 43 106.643 109.482 -2.839 2
1 424 . 1 1 A 43 43 GLY H H 43 7.388 8.374 -0.986 2
1 425 . 1 1 A 43 43 GLY CA C 43 45.230 46.067 -0.837 2
1 426 . 1 1 A 43 43 GLY HA2 H 43 3.131 3.020 0.111 2
1 427 . 1 1 A 43 43 GLY HA3 H 43 2.588 3.299 -0.711 2
1 428 . 1 1 A 43 43 GLY C C 43 173.476 175.246 -1.770 2
1 429 . 1 1 A 44 44 VAL N N 44 121.300 120.583 0.717 2
1 430 . 1 1 A 44 44 VAL H H 44 7.874 7.902 -0.028 2
1 431 . 1 1 A 44 44 VAL CA C 44 67.198 65.467 1.731 2
1 432 . 1 1 A 44 44 VAL HA H 44 3.018 3.586 -0.568 2
1 433 . 1 1 A 44 44 VAL CB C 44 31.139 31.782 -0.643 2
1 443 . 1 1 A 44 44 VAL C C 44 177.853 177.830 0.023 2
1 444 . 1 1 A 45 45 LEU N N 45 114.495 120.786 -6.291 2
1 445 . 1 1 A 45 45 LEU H H 45 8.945 8.052 0.893 2
1 446 . 1 1 A 45 45 LEU CA C 45 57.466 57.886 -0.420 2
1 447 . 1 1 A 45 45 LEU HA H 45 3.838 3.913 -0.075 2
1 448 . 1 1 A 45 45 LEU CB C 45 40.503 41.534 -1.031 2
1 461 . 1 1 A 45 45 LEU C C 45 179.257 178.505 0.752 2
1 462 . 1 1 A 46 46 VAL N N 46 118.354 119.030 -0.676 2
1 463 . 1 1 A 46 46 VAL H H 46 7.422 7.636 -0.214 2
1 464 . 1 1 A 46 46 VAL CA C 46 67.288 66.442 0.846 2
1 465 . 1 1 A 46 46 VAL HA H 46 3.469 3.395 0.074 2
1 466 . 1 1 A 46 46 VAL CB C 46 30.173 31.428 -1.255 2
1 476 . 1 1 A 46 46 VAL C C 46 176.954 178.012 -1.058 2
1 477 . 1 1 A 47 47 ALA N N 47 121.963 121.751 0.212 2
1 478 . 1 1 A 47 47 ALA H H 47 7.272 7.927 -0.655 2
1 479 . 1 1 A 47 47 ALA CA C 47 55.991 55.554 0.437 2
1 480 . 1 1 A 47 47 ALA HA H 47 3.576 3.868 -0.292 2
1 481 . 1 1 A 47 47 ALA CB C 47 17.292 18.197 -0.905 2
1 485 . 1 1 A 47 47 ALA C C 47 178.880 180.076 -1.196 2
1 486 . 1 1 A 48 48 GLU N N 48 116.763 118.350 -1.587 2
1 487 . 1 1 A 48 48 GLU H H 48 8.081 7.883 0.198 2
1 488 . 1 1 A 48 48 GLU CA C 48 60.605 59.469 1.136 2
1 489 . 1 1 A 48 48 GLU HA H 48 3.851 3.989 -0.138 2
1 490 . 1 1 A 48 48 GLU CB C 48 30.467 29.378 1.089 2
1 496 . 1 1 A 48 48 GLU C C 48 180.175 179.385 0.791 2
1 497 . 1 1 A 49 49 VAL N N 49 122.024 119.959 2.065 2
1 498 . 1 1 A 49 49 VAL H H 49 8.325 7.625 0.700 2
1 499 . 1 1 A 49 49 VAL CA C 49 67.146 66.275 0.871 2
1 500 . 1 1 A 49 49 VAL HA H 49 3.530 3.620 -0.090 2
1 501 . 1 1 A 49 49 VAL CB C 49 31.543 31.594 -0.051 2
1 511 . 1 1 A 49 49 VAL C C 49 177.168 178.468 -1.300 2
1 512 . 1 1 A 50 50 ILE N N 50 117.821 120.469 -2.648 2
1 513 . 1 1 A 50 50 ILE H H 50 7.947 7.994 -0.047 2
1 514 . 1 1 A 50 50 ILE CA C 50 66.217 65.363 0.854 2
1 515 . 1 1 A 50 50 ILE HA H 50 3.757 3.837 -0.080 2
1 516 . 1 1 A 50 50 ILE CB C 50 37.952 37.453 0.499 2
1 529 . 1 1 A 50 50 ILE C C 50 177.890 177.971 -0.081 2
1 530 . 1 1 A 51 51 LYS N N 51 121.589 121.141 0.448 2
1 531 . 1 1 A 51 51 LYS H H 51 8.790 8.135 0.655 2
1 532 . 1 1 A 51 51 LYS CA C 51 58.277 59.661 -1.384 2
1 533 . 1 1 A 51 51 LYS HA H 51 3.816 4.123 -0.307 2
1 534 . 1 1 A 51 51 LYS CB C 51 32.898 32.463 0.435 2
1 546 . 1 1 A 51 51 LYS C C 51 176.668 178.610 -1.942 2
1 547 . 1 1 A 52 52 PHE N N 52 117.622 120.271 -2.649 2
1 548 . 1 1 A 52 52 PHE H H 52 7.768 7.936 -0.168 2
1 549 . 1 1 A 52 52 PHE CA C 52 60.585 61.401 -0.816 2
1 550 . 1 1 A 52 52 PHE HA H 52 4.090 4.040 0.050 2
1 551 . 1 1 A 52 52 PHE CB C 52 38.775 38.972 -0.197 2
1 564 . 1 1 A 52 52 PHE C C 52 176.831 176.796 0.035 2
1 565 . 1 1 A 53 53 TYR N N 53 115.876 116.457 -0.581 2
1 566 . 1 1 A 53 53 TYR H H 53 7.346 8.116 -0.770 2
1 567 . 1 1 A 53 53 TYR CA C 53 61.264 60.143 1.121 2
1 568 . 1 1 A 53 53 TYR HA H 53 3.697 4.188 -0.491 2
1 569 . 1 1 A 53 53 TYR CB C 53 41.522 38.729 2.793 2
1 580 . 1 1 A 53 53 TYR C C 53 175.972 175.250 0.722 2
1 581 . 1 1 A 54 54 PHE N N 54 116.478 116.476 0.002 2
1 582 . 1 1 A 54 54 PHE H H 54 8.877 8.394 0.483 2
1 583 . 1 1 A 54 54 PHE CA C 54 55.553 55.108 0.445 2
1 584 . 1 1 A 54 54 PHE HA H 54 5.173 5.075 0.098 2
1 585 . 1 1 A 54 54 PHE CB C 54 40.841 40.369 0.472 2
1 598 . 1 1 A 54 54 PHE C C 54 173.424 174.697 -1.273 2
1 599 . 1 1 A 55 55 PRO CA C 55 65.147 65.201 -0.054 2
1 600 . 1 1 A 55 55 PRO HA H 55 4.591 4.420 0.171 2
1 601 . 1 1 A 55 55 PRO CB C 55 32.014 31.992 0.022 2
1 610 . 1 1 A 55 55 PRO C C 55 179.255 178.708 0.547 2
1 611 . 1 1 A 56 56 LYS N N 56 113.672 117.414 -3.742 2
1 612 . 1 1 A 56 56 LYS H H 56 8.639 8.639 -0.000 2
1 613 . 1 1 A 56 56 LYS CA C 56 56.918 59.249 -2.331 2
1 614 . 1 1 A 56 56 LYS HA H 56 4.384 4.087 0.297 2
1 615 . 1 1 A 56 56 LYS CB C 56 31.868 32.208 -0.340 2
1 627 . 1 1 A 56 56 LYS C C 56 178.220 179.278 -1.058 2
1 628 . 1 1 A 57 57 MET N N 57 116.692 119.012 -2.320 2
1 629 . 1 1 A 57 57 MET H H 57 8.099 8.238 -0.139 2
1 630 . 1 1 A 57 57 MET CA C 57 57.537 58.724 -1.187 2
1 631 . 1 1 A 57 57 MET HA H 57 4.260 4.171 0.089 2
1 632 . 1 1 A 57 57 MET CB C 57 35.400 32.405 2.995 2
1 642 . 1 1 A 57 57 MET C C 57 174.856 177.621 -2.765 2
1 643 . 1 1 A 58 58 VAL N N 58 114.727 119.139 -4.412 2
1 644 . 1 1 A 58 58 VAL H H 58 6.872 7.514 -0.642 2
1 645 . 1 1 A 58 58 VAL CA C 58 60.834 64.001 -3.167 2
1 646 . 1 1 A 58 58 VAL HA H 58 4.421 3.961 0.460 2
1 647 . 1 1 A 58 58 VAL CB C 58 36.223 31.958 4.265 2
1 657 . 1 1 A 58 58 VAL C C 58 173.747 175.732 -1.986 2
1 658 . 1 1 A 59 59 GLU N N 59 127.314 125.876 1.438 2
1 659 . 1 1 A 59 59 GLU H H 59 8.783 8.708 0.075 2
1 660 . 1 1 A 59 59 GLU CA C 59 54.465 56.288 -1.823 2
1 661 . 1 1 A 59 59 GLU HA H 59 4.671 4.574 0.097 2
1 662 . 1 1 A 59 59 GLU CB C 59 30.020 29.940 0.080 2
1 668 . 1 1 A 59 59 GLU C C 59 176.450 176.347 0.103 2
1 669 . 1 1 A 60 60 MET N N 60 122.273 120.840 1.433 2
1 670 . 1 1 A 60 60 MET H H 60 9.004 8.337 0.667 2
1 671 . 1 1 A 60 60 MET CA C 60 55.751 56.716 -0.965 2
1 672 . 1 1 A 60 60 MET HA H 60 4.613 4.509 0.104 2
1 673 . 1 1 A 60 60 MET CB C 60 29.356 31.768 -2.412 2
1 683 . 1 1 A 60 60 MET C C 60 178.387 177.079 1.308 2
1 684 . 1 1 A 61 61 HIS N N 61 115.823 118.659 -2.836 2
1 685 . 1 1 A 61 61 HIS H H 61 8.198 8.224 -0.026 2
1 686 . 1 1 A 61 61 HIS CA C 61 57.963 58.152 -0.189 2
1 687 . 1 1 A 61 61 HIS HA H 61 4.341 4.460 -0.119 2
1 688 . 1 1 A 61 61 HIS CB C 61 29.235 30.758 -1.523 2
1 695 . 1 1 A 61 61 HIS C C 61 175.800 176.590 -0.790 2
1 696 . 1 1 A 62 62 ASN N N 62 115.093 115.091 0.002 2
1 697 . 1 1 A 62 62 ASN H H 62 6.895 7.813 -0.918 2
1 698 . 1 1 A 62 62 ASN CA C 62 54.503 54.848 -0.345 2
1 699 . 1 1 A 62 62 ASN HA H 62 3.872 4.524 -0.652 2
1 700 . 1 1 A 62 62 ASN CB C 62 38.749 39.186 -0.437 2
1 706 . 1 1 A 62 62 ASN C C 62 173.014 175.528 -2.514 2
1 707 . 1 1 A 63 63 TYR N N 63 118.560 118.666 -0.106 2
1 708 . 1 1 A 63 63 TYR H H 63 7.255 7.417 -0.162 2
1 709 . 1 1 A 63 63 TYR CA C 63 56.311 59.043 -2.732 2
1 710 . 1 1 A 63 63 TYR HA H 63 4.481 4.626 -0.145 2
1 711 . 1 1 A 63 63 TYR CB C 63 39.138 39.398 -0.260 2
1 722 . 1 1 A 63 63 TYR C C 63 173.223 176.120 -2.897 2
1 723 . 1 1 A 64 64 VAL N N 64 122.318 121.858 0.460 2
1 724 . 1 1 A 64 64 VAL H H 64 7.750 8.623 -0.873 2
1 725 . 1 1 A 64 64 VAL CA C 64 58.601 58.888 -0.287 2
1 726 . 1 1 A 64 64 VAL HA H 64 4.469 4.648 -0.179 2
1 727 . 1 1 A 64 64 VAL CB C 64 33.747 35.531 -1.784 2
1 737 . 1 1 A 64 64 VAL C C 64 173.983 173.790 0.193 2
1 738 . 1 1 A 65 65 PRO CA C 65 63.212 62.483 0.729 2
1 739 . 1 1 A 65 65 PRO HA H 65 4.348 4.772 -0.424 2
1 740 . 1 1 A 65 65 PRO CB C 65 31.279 31.798 -0.519 2
1 749 . 1 1 A 65 65 PRO C C 65 176.821 176.113 0.708 2
1 750 . 1 1 A 66 66 ALA N N 66 125.896 125.047 0.849 2
1 751 . 1 1 A 66 66 ALA H H 66 8.563 8.428 0.135 2
1 752 . 1 1 A 66 66 ALA CA C 66 52.003 50.722 1.281 2
1 753 . 1 1 A 66 66 ALA HA H 66 4.651 4.832 -0.182 2
1 754 . 1 1 A 66 66 ALA CB C 66 24.137 22.728 1.409 2
1 758 . 1 1 A 66 66 ALA C C 66 176.244 176.813 -0.569 2
1 759 . 1 1 A 67 67 ASN CA C 67 52.862 53.727 -0.865 2
1 760 . 1 1 A 67 67 ASN HA H 67 4.988 4.929 0.059 2
1 761 . 1 1 A 67 67 ASN CB C 67 40.168 39.424 0.744 2
1 767 . 1 1 A 67 67 ASN C C 67 174.896 175.188 -0.292 2
1 768 . 1 1 A 68 68 SER N N 68 114.553 114.471 0.082 2
1 769 . 1 1 A 68 68 SER H H 68 7.777 7.692 0.085 2
1 770 . 1 1 A 68 68 SER CA C 68 56.741 58.019 -1.278 2
1 771 . 1 1 A 68 68 SER HA H 68 4.737 4.612 0.125 2
1 772 . 1 1 A 68 68 SER CB C 68 65.267 64.765 0.502 2
1 775 . 1 1 A 68 68 SER C C 68 174.542 174.735 -0.193 2
1 776 . 1 1 A 69 69 LEU CA C 69 59.000 58.357 0.643 2
1 777 . 1 1 A 69 69 LEU HA H 69 3.961 4.075 -0.114 2
1 778 . 1 1 A 69 69 LEU CB C 69 41.679 41.873 -0.194 2
1 791 . 1 1 A 69 69 LEU C C 69 178.629 178.523 0.106 2
1 792 . 1 1 A 70 70 GLN N N 70 115.924 117.830 -1.906 2
1 793 . 1 1 A 70 70 GLN H H 70 8.785 8.280 0.505 2
1 794 . 1 1 A 70 70 GLN CA C 70 59.728 59.237 0.491 2
1 795 . 1 1 A 70 70 GLN HA H 70 3.977 4.004 -0.027 2
1 796 . 1 1 A 70 70 GLN CB C 70 27.912 28.370 -0.458 2
1 805 . 1 1 A 70 70 GLN C C 70 178.954 178.342 0.612 2
1 806 . 1 1 A 71 71 GLN N N 71 118.694 119.312 -0.618 2
1 807 . 1 1 A 71 71 GLN H H 71 7.780 7.925 -0.145 2
1 808 . 1 1 A 71 71 GLN CA C 71 58.233 58.963 -0.730 2
1 809 . 1 1 A 71 71 GLN HA H 71 4.219 4.032 0.187 2
1 810 . 1 1 A 71 71 GLN CB C 71 29.089 28.428 0.661 2
1 819 . 1 1 A 71 71 GLN C C 71 178.724 178.185 0.539 2
1 820 . 1 1 A 72 72 LYS N N 72 119.661 118.757 0.904 2
1 821 . 1 1 A 72 72 LYS H H 72 8.094 7.970 0.124 2
1 822 . 1 1 A 72 72 LYS CA C 72 61.528 59.577 1.951 2
1 823 . 1 1 A 72 72 LYS HA H 72 4.206 4.037 0.169 2
1 824 . 1 1 A 72 72 LYS CB C 72 33.806 32.398 1.409 2
1 836 . 1 1 A 72 72 LYS C C 72 179.041 179.256 -0.215 2
1 837 . 1 1 A 73 73 LEU N N 73 117.098 120.771 -3.673 2
1 838 . 1 1 A 73 73 LEU H H 73 8.602 7.923 0.679 2
1 839 . 1 1 A 73 73 LEU CA C 73 58.118 57.904 0.213 2
1 840 . 1 1 A 73 73 LEU HA H 73 4.287 4.127 0.160 2
1 841 . 1 1 A 73 73 LEU CB C 73 40.831 41.525 -0.694 2
1 854 . 1 1 A 73 73 LEU C C 73 180.838 179.042 1.796 2
1 855 . 1 1 A 74 74 SER N N 74 118.060 113.782 4.278 2
1 856 . 1 1 A 74 74 SER H H 74 8.334 8.058 0.276 2
1 857 . 1 1 A 74 74 SER CA C 74 61.971 61.679 0.292 2
1 858 . 1 1 A 74 74 SER HA H 74 4.431 4.078 0.353 2
1 859 . 1 1 A 74 74 SER CB C 74 62.560 63.050 -0.490 2
1 862 . 1 1 A 74 74 SER C C 74 177.493 177.249 0.244 2
1 863 . 1 1 A 75 75 ASN N N 75 121.688 119.087 2.601 2
1 864 . 1 1 A 75 75 ASN H H 75 8.266 8.148 0.118 2
1 865 . 1 1 A 75 75 ASN CA C 75 56.090 56.500 -0.410 2
1 866 . 1 1 A 75 75 ASN HA H 75 4.739 4.563 0.176 2
1 867 . 1 1 A 75 75 ASN CB C 75 38.184 38.327 -0.143 2
1 873 . 1 1 A 75 75 ASN C C 75 177.792 178.116 -0.324 2
1 874 . 1 1 A 76 76 TRP N N 76 118.943 120.144 -1.201 2
1 875 . 1 1 A 76 76 TRP H H 76 8.510 8.286 0.224 2
1 876 . 1 1 A 76 76 TRP CA C 76 62.294 59.402 2.892 2
1 877 . 1 1 A 76 76 TRP HA H 76 4.173 4.224 -0.051 2
1 878 . 1 1 A 76 76 TRP CB C 76 29.223 29.088 0.135 2
1 893 . 1 1 A 76 76 TRP C C 76 178.579 179.123 -0.544 2
1 894 . 1 1 A 77 77 GLY N N 77 107.789 107.708 0.081 2
1 895 . 1 1 A 77 77 GLY H H 77 8.954 8.907 0.047 2
1 896 . 1 1 A 77 77 GLY CA C 77 47.600 47.422 0.178 2
1 897 . 1 1 A 77 77 GLY HA2 H 77 4.122 3.765 0.357 2
1 898 . 1 1 A 77 77 GLY HA3 H 77 3.977 3.815 0.162 2
1 899 . 1 1 A 77 77 GLY C C 77 176.076 176.495 -0.419 2
1 900 . 1 1 A 78 78 HIS N N 78 122.925 120.531 2.394 2
1 901 . 1 1 A 78 78 HIS H H 78 8.127 7.932 0.195 2
1 902 . 1 1 A 78 78 HIS CA C 78 61.550 58.664 2.886 2
1 903 . 1 1 A 78 78 HIS HA H 78 4.206 4.684 -0.477 2
1 904 . 1 1 A 78 78 HIS CB C 78 30.794 29.858 0.936 2
1 911 . 1 1 A 78 78 HIS C C 78 177.572 177.836 -0.264 2
1 912 . 1 1 A 79 79 LEU N N 79 120.009 120.958 -0.949 2
1 913 . 1 1 A 79 79 LEU H H 79 8.726 8.298 0.428 2
1 914 . 1 1 A 79 79 LEU CA C 79 58.252 57.675 0.577 2
1 915 . 1 1 A 79 79 LEU HA H 79 4.227 4.207 0.020 2
1 916 . 1 1 A 79 79 LEU CB C 79 43.075 41.438 1.637 2
1 929 . 1 1 A 79 79 LEU C C 79 181.067 178.664 2.403 2
1 930 . 1 1 A 80 80 ASN N N 80 119.257 117.350 1.907 2
1 931 . 1 1 A 80 80 ASN H H 80 9.270 8.032 1.238 2
1 932 . 1 1 A 80 80 ASN CA C 80 57.279 56.110 1.169 2
1 933 . 1 1 A 80 80 ASN HA H 80 4.595 4.599 -0.004 2
1 934 . 1 1 A 80 80 ASN CB C 80 40.403 38.885 1.518 2
1 940 . 1 1 A 80 80 ASN C C 80 177.177 176.671 0.506 2
1 941 . 1 1 A 81 81 ARG N N 81 115.731 117.253 -1.522 2
1 942 . 1 1 A 81 81 ARG H H 81 8.085 8.089 -0.004 2
1 943 . 1 1 A 81 81 ARG CA C 81 59.249 55.924 3.325 2
1 944 . 1 1 A 81 81 ARG HA H 81 4.167 4.575 -0.408 2
1 945 . 1 1 A 81 81 ARG CB C 81 31.579 30.909 0.670 2
1 954 . 1 1 A 81 81 ARG C C 81 177.890 176.824 1.066 2
1 955 . 1 1 A 82 82 LYS N N 82 113.840 117.714 -3.874 2
1 956 . 1 1 A 82 82 LYS H H 82 8.691 7.813 0.878 2
1 957 . 1 1 A 82 82 LYS CA C 82 56.216 56.896 -0.680 2
1 958 . 1 1 A 82 82 LYS HA H 82 4.441 4.427 0.014 2
1 959 . 1 1 A 82 82 LYS CB C 82 32.964 34.078 -1.114 2
1 971 . 1 1 A 82 82 LYS C C 82 177.543 177.195 0.348 2
1 972 . 1 1 A 83 83 VAL N N 83 117.873 117.630 0.243 2
1 973 . 1 1 A 83 83 VAL H H 83 7.786 7.968 -0.182 2
1 974 . 1 1 A 83 83 VAL CA C 83 64.939 64.071 0.868 2
1 975 . 1 1 A 83 83 VAL HA H 83 4.235 4.191 0.044 2
1 976 . 1 1 A 83 83 VAL CB C 83 34.046 32.387 1.659 2
1 986 . 1 1 A 83 83 VAL C C 83 176.945 177.742 -0.797 2
1 987 . 1 1 A 84 84 LEU N N 84 118.163 120.005 -1.842 2
1 988 . 1 1 A 84 84 LEU H H 84 9.200 8.191 1.009 2
1 989 . 1 1 A 84 84 LEU CA C 84 58.824 58.265 0.559 2
1 990 . 1 1 A 84 84 LEU HA H 84 3.898 3.953 -0.055 2
1 991 . 1 1 A 84 84 LEU CB C 84 38.418 41.790 -3.372 2
1 1004 . 1 1 A 84 84 LEU C C 84 179.874 178.957 0.917 2
1 1005 . 1 1 A 85 85 LYS N N 85 117.114 118.956 -1.842 2
1 1006 . 1 1 A 85 85 LYS H H 85 7.303 7.991 -0.688 2
1 1007 . 1 1 A 85 85 LYS CA C 85 59.436 59.848 -0.412 2
1 1008 . 1 1 A 85 85 LYS HA H 85 4.191 3.968 0.223 2
1 1009 . 1 1 A 85 85 LYS CB C 85 33.096 32.463 0.633 2
1 1021 . 1 1 A 85 85 LYS C C 85 180.286 178.927 1.359 2
1 1022 . 1 1 A 86 86 ARG N N 86 117.181 119.514 -2.333 2
1 1023 . 1 1 A 86 86 ARG H H 86 7.216 8.112 -0.896 2
1 1024 . 1 1 A 86 86 ARG CA C 86 57.924 58.913 -0.989 2
1 1025 . 1 1 A 86 86 ARG HA H 86 4.191 4.105 0.086 2
1 1026 . 1 1 A 86 86 ARG CB C 86 29.848 30.080 -0.232 2
1 1035 . 1 1 A 86 86 ARG C C 86 177.047 178.001 -0.954 2
1 1036 . 1 1 A 87 87 LEU N N 87 118.282 117.915 0.367 2
1 1037 . 1 1 A 87 87 LEU H H 87 7.584 8.101 -0.517 2
1 1038 . 1 1 A 87 87 LEU CA C 87 53.603 54.586 -0.983 2
1 1039 . 1 1 A 87 87 LEU HA H 87 4.339 4.409 -0.070 2
1 1040 . 1 1 A 87 87 LEU CB C 87 42.059 41.950 0.109 2
1 1053 . 1 1 A 87 87 LEU C C 87 175.182 175.932 -0.750 2
1 1054 . 1 1 A 88 88 ASN N N 88 115.016 116.112 -1.096 2
1 1055 . 1 1 A 88 88 ASN H H 88 7.932 7.980 -0.048 2
1 1056 . 1 1 A 88 88 ASN CA C 88 54.081 54.308 -0.227 2
1 1057 . 1 1 A 88 88 ASN HA H 88 4.384 4.392 -0.008 2
1 1058 . 1 1 A 88 88 ASN CB C 88 36.809 37.248 -0.439 2
1 1064 . 1 1 A 88 88 ASN C C 88 173.426 174.119 -0.693 2
1 1065 . 1 1 A 89 89 PHE N N 89 119.795 119.035 0.760 2
1 1066 . 1 1 A 89 89 PHE H H 89 7.739 8.025 -0.286 2
1 1067 . 1 1 A 89 89 PHE CA C 89 56.231 57.088 -0.857 2
1 1068 . 1 1 A 89 89 PHE HA H 89 4.887 4.920 -0.033 2
1 1069 . 1 1 A 89 89 PHE CB C 89 43.188 41.994 1.194 2
1 1082 . 1 1 A 89 89 PHE C C 89 172.386 174.058 -1.672 2
1 1083 . 1 1 A 90 90 SER N N 90 117.020 121.407 -4.387 2
1 1084 . 1 1 A 90 90 SER H H 90 7.301 8.328 -1.027 2
1 1085 . 1 1 A 90 90 SER CA C 90 56.762 56.972 -0.210 2
1 1086 . 1 1 A 90 90 SER HA H 90 4.667 5.359 -0.692 2
1 1087 . 1 1 A 90 90 SER CB C 90 64.885 66.086 -1.201 2
1 1090 . 1 1 A 90 90 SER C C 90 172.726 173.176 -0.450 2
1 1091 . 1 1 A 91 91 VAL N N 91 126.604 123.266 3.338 2
1 1092 . 1 1 A 91 91 VAL H H 91 8.959 8.927 0.032 2
1 1093 . 1 1 A 91 91 VAL CA C 91 59.173 58.966 0.207 2
1 1094 . 1 1 A 91 91 VAL HA H 91 4.336 4.600 -0.264 2
1 1095 . 1 1 A 91 91 VAL CB C 91 33.703 35.722 -2.019 2
1 1105 . 1 1 A 91 91 VAL C C 91 173.886 173.751 0.135 2
1 1106 . 1 1 A 92 92 PRO CA C 92 62.618 62.647 -0.029 2
1 1107 . 1 1 A 92 92 PRO HA H 92 4.481 4.645 -0.164 2
1 1108 . 1 1 A 92 92 PRO CB C 92 33.302 32.939 0.363 2
1 1117 . 1 1 A 92 92 PRO C C 92 177.410 176.954 0.456 2
1 1118 . 1 1 A 93 93 ASP N N 93 123.319 122.382 0.937 2
1 1119 . 1 1 A 93 93 ASP H H 93 8.854 8.781 0.073 2
1 1120 . 1 1 A 93 93 ASP CA C 93 58.347 57.058 1.289 2
1 1121 . 1 1 A 93 93 ASP HA H 93 4.298 4.328 -0.030 2
1 1122 . 1 1 A 93 93 ASP CB C 93 40.916 40.452 0.464 2
1 1125 . 1 1 A 93 93 ASP C C 93 178.221 177.879 0.342 2
1 1126 . 1 1 A 94 94 ASP N N 94 116.740 119.459 -2.719 2
1 1127 . 1 1 A 94 94 ASP H H 94 8.955 8.162 0.793 2
1 1128 . 1 1 A 94 94 ASP CA C 94 56.851 57.165 -0.314 2
1 1129 . 1 1 A 94 94 ASP HA H 94 4.222 4.347 -0.125 2
1 1130 . 1 1 A 94 94 ASP CB C 94 39.733 40.693 -0.960 2
1 1133 . 1 1 A 94 94 ASP C C 94 178.344 178.610 -0.266 2
1 1134 . 1 1 A 95 95 VAL N N 95 121.559 120.003 1.556 2
1 1135 . 1 1 A 95 95 VAL H H 95 6.935 7.924 -0.989 2
1 1136 . 1 1 A 95 95 VAL CA C 95 66.007 66.376 -0.369 2
1 1137 . 1 1 A 95 95 VAL HA H 95 3.378 3.528 -0.150 2
1 1138 . 1 1 A 95 95 VAL CB C 95 31.712 31.408 0.304 2
1 1148 . 1 1 A 95 95 VAL C C 95 177.153 177.773 -0.620 2
1 1149 . 1 1 A 96 96 MET N N 96 118.492 117.587 0.905 2
1 1150 . 1 1 A 96 96 MET H H 96 7.993 7.788 0.205 2
1 1151 . 1 1 A 96 96 MET CA C 96 60.318 58.634 1.684 2
1 1152 . 1 1 A 96 96 MET HA H 96 3.037 3.795 -0.758 2
1 1153 . 1 1 A 96 96 MET CB C 96 33.348 32.644 0.704 2
1 1163 . 1 1 A 96 96 MET C C 96 176.993 178.708 -1.715 2
1 1164 . 1 1 A 97 97 ARG N N 97 116.593 118.812 -2.219 2
1 1165 . 1 1 A 97 97 ARG H H 97 7.668 8.024 -0.356 2
1 1166 . 1 1 A 97 97 ARG CA C 97 60.372 59.744 0.628 2
1 1167 . 1 1 A 97 97 ARG HA H 97 3.772 3.933 -0.162 2
1 1168 . 1 1 A 97 97 ARG CB C 97 29.627 29.974 -0.348 2
1 1177 . 1 1 A 97 97 ARG C C 97 177.718 178.853 -1.135 2
1 1178 . 1 1 A 98 98 LYS N N 98 118.000 119.119 -1.119 2
1 1179 . 1 1 A 98 98 LYS H H 98 7.279 7.495 -0.215 2
1 1180 . 1 1 A 98 98 LYS CA C 98 59.942 59.140 0.802 2
1 1181 . 1 1 A 98 98 LYS HA H 98 4.035 3.994 0.041 2
1 1182 . 1 1 A 98 98 LYS CB C 98 33.307 32.334 0.973 2
1 1194 . 1 1 A 98 98 LYS C C 98 178.861 178.990 -0.129 2
1 1195 . 1 1 A 99 99 ILE N N 99 119.736 120.636 -0.900 2
1 1196 . 1 1 A 99 99 ILE H H 99 8.298 7.771 0.527 2
1 1197 . 1 1 A 99 99 ILE CA C 99 65.451 65.384 0.067 2
1 1198 . 1 1 A 99 99 ILE HA H 99 3.473 3.542 -0.069 2
1 1199 . 1 1 A 99 99 ILE CB C 99 38.088 37.296 0.792 2
1 1212 . 1 1 A 99 99 ILE C C 99 181.472 177.873 3.599 2
1 1213 . 1 1 A 100 100 ALA N N 100 124.832 121.556 3.276 2
1 1214 . 1 1 A 100 100 ALA H H 100 8.473 7.893 0.580 2
1 1215 . 1 1 A 100 100 ALA CA C 100 54.623 54.409 0.214 2
1 1216 . 1 1 A 100 100 ALA HA H 100 4.481 4.117 0.364 2
1 1217 . 1 1 A 100 100 ALA CB C 100 19.106 18.293 0.813 2
1 1221 . 1 1 A 100 100 ALA C C 100 177.755 178.906 -1.151 2
1 1222 . 1 1 A 101 101 GLN N N 101 113.891 114.951 -1.060 2
1 1223 . 1 1 A 101 101 GLN H H 101 7.665 7.575 0.090 2
1 1224 . 1 1 A 101 101 GLN CA C 101 55.681 55.322 0.359 2
1 1225 . 1 1 A 101 101 GLN HA H 101 4.378 4.445 -0.067 2
1 1226 . 1 1 A 101 101 GLN CB C 101 28.879 28.613 0.266 2
1 1235 . 1 1 A 101 101 GLN C C 101 175.604 174.930 0.674 2
1 1236 . 1 1 A 102 102 CYS N N 102 114.274 116.755 -2.482 2
1 1237 . 1 1 A 102 102 CYS H H 102 8.300 7.959 0.341 2
1 1238 . 1 1 A 102 102 CYS CA C 102 58.700 60.215 -1.515 2
1 1239 . 1 1 A 102 102 CYS HA H 102 4.030 4.168 -0.138 2
1 1240 . 1 1 A 102 102 CYS CB C 102 24.987 25.894 -0.907 2
1 1243 . 1 1 A 102 102 CYS C C 102 174.186 173.790 0.396 2
1 1244 . 1 1 A 103 103 ALA N N 103 123.512 122.523 0.989 2
1 1245 . 1 1 A 103 103 ALA H H 103 8.175 7.511 0.664 2
1 1246 . 1 1 A 103 103 ALA CA C 103 50.841 50.054 0.787 2
1 1247 . 1 1 A 103 103 ALA HA H 103 4.458 4.498 -0.040 2
1 1248 . 1 1 A 103 103 ALA CB C 103 18.353 19.485 -1.132 2
1 1252 . 1 1 A 103 103 ALA C C 103 175.904 176.111 -0.207 2
1 1253 . 1 1 A 104 104 PRO CA C 104 64.290 63.786 0.504 2
1 1254 . 1 1 A 104 104 PRO HA H 104 4.315 4.329 -0.013 2
1 1255 . 1 1 A 104 104 PRO CB C 104 32.028 31.443 0.585 2
1 1264 . 1 1 A 104 104 PRO C C 104 178.173 177.494 0.679 2
1 1265 . 1 1 A 105 105 GLY N N 105 113.466 112.158 1.308 2
1 1266 . 1 1 A 105 105 GLY H H 105 9.036 8.784 0.252 2
1 1267 . 1 1 A 105 105 GLY CA C 105 45.935 46.014 -0.079 2
1 1268 . 1 1 A 105 105 GLY HA2 H 105 4.044 3.919 0.125 2
1 1269 . 1 1 A 105 105 GLY HA3 H 105 3.832 3.929 -0.097 2
1 1270 . 1 1 A 105 105 GLY C C 105 174.928 175.262 -0.334 2
1 1271 . 1 1 A 106 106 VAL N N 106 117.991 119.568 -1.577 2
1 1272 . 1 1 A 106 106 VAL H H 106 6.964 7.916 -0.952 2
1 1273 . 1 1 A 106 106 VAL CA C 106 66.071 65.196 0.875 2
1 1274 . 1 1 A 106 106 VAL HA H 106 3.842 3.903 -0.061 2
1 1275 . 1 1 A 106 106 VAL CB C 106 31.337 32.315 -0.978 2
1 1285 . 1 1 A 106 106 VAL C C 106 178.061 177.387 0.674 2
1 1286 . 1 1 A 107 107 VAL N N 107 121.474 120.403 1.071 2
1 1287 . 1 1 A 107 107 VAL H H 107 9.039 8.150 0.889 2
1 1288 . 1 1 A 107 107 VAL CA C 107 65.971 65.148 0.823 2
1 1289 . 1 1 A 107 107 VAL HA H 107 3.743 3.670 0.073 2
1 1290 . 1 1 A 107 107 VAL CB C 107 30.959 31.235 -0.276 2
1 1300 . 1 1 A 107 107 VAL C C 107 177.629 177.607 0.022 2
1 1301 . 1 1 A 108 108 GLU N N 108 126.242 121.930 4.312 2
1 1302 . 1 1 A 108 108 GLU H H 108 11.107 8.290 2.817 2
1 1303 . 1 1 A 108 108 GLU CA C 108 62.429 59.397 3.032 2
1 1304 . 1 1 A 108 108 GLU HA H 108 3.584 4.024 -0.440 2
1 1305 . 1 1 A 108 108 GLU CB C 108 28.863 29.289 -0.426 2
1 1311 . 1 1 A 108 108 GLU C C 108 176.878 179.304 -2.426 2
1 1312 . 1 1 A 109 109 LEU N N 109 114.111 119.995 -5.884 2
1 1313 . 1 1 A 109 109 LEU H H 109 7.474 8.176 -0.702 2
1 1314 . 1 1 A 109 109 LEU CA C 109 56.293 57.742 -1.449 2
1 1315 . 1 1 A 109 109 LEU HA H 109 4.024 4.056 -0.032 2
1 1316 . 1 1 A 109 109 LEU CB C 109 40.846 41.658 -0.812 2
1 1329 . 1 1 A 109 109 LEU C C 109 178.647 178.535 0.112 2
1 1330 . 1 1 A 110 110 VAL N N 110 116.984 118.493 -1.509 2
1 1331 . 1 1 A 110 110 VAL H H 110 7.557 7.599 -0.042 2
1 1332 . 1 1 A 110 110 VAL CA C 110 64.274 64.747 -0.473 2
1 1333 . 1 1 A 110 110 VAL HA H 110 4.206 4.056 0.150 2
1 1334 . 1 1 A 110 110 VAL CB C 110 33.070 32.139 0.931 2
1 1344 . 1 1 A 110 110 VAL C C 110 176.435 177.839 -1.403 2
1 1345 . 1 1 A 111 111 LEU N N 111 118.461 120.351 -1.890 2
1 1346 . 1 1 A 111 111 LEU H H 111 8.453 8.005 0.448 2
1 1347 . 1 1 A 111 111 LEU CA C 111 58.047 57.662 0.385 2
1 1348 . 1 1 A 111 111 LEU HA H 111 4.003 4.126 -0.123 2
1 1349 . 1 1 A 111 111 LEU CB C 111 43.552 41.455 2.097 2
1 1362 . 1 1 A 111 111 LEU C C 111 177.274 179.218 -1.944 2
1 1363 . 1 1 A 112 112 ILE N N 112 115.835 119.834 -3.999 2
1 1364 . 1 1 A 112 112 ILE H H 112 7.850 8.052 -0.201 2
1 1365 . 1 1 A 112 112 ILE CA C 112 67.843 66.445 1.398 2
1 1366 . 1 1 A 112 112 ILE HA H 112 3.636 3.637 -0.001 2
1 1367 . 1 1 A 112 112 ILE CB C 112 36.504 35.919 0.585 2
1 1380 . 1 1 A 112 112 ILE C C 112 176.487 175.159 1.328 2
1 1381 . 1 1 A 113 113 PRO CA C 113 64.872 65.501 -0.629 2
1 1382 . 1 1 A 113 113 PRO HA H 113 4.420 4.357 0.063 2
1 1383 . 1 1 A 113 113 PRO CB C 113 30.348 30.932 -0.584 2
1 1392 . 1 1 A 113 113 PRO C C 113 179.001 178.790 0.211 2
1 1393 . 1 1 A 114 114 LEU N N 114 120.690 118.040 2.650 2
1 1394 . 1 1 A 114 114 LEU H H 114 7.672 7.497 0.175 2
1 1395 . 1 1 A 114 114 LEU CA C 114 58.337 57.779 0.558 2
1 1396 . 1 1 A 114 114 LEU HA H 114 3.490 3.860 -0.370 2
1 1397 . 1 1 A 114 114 LEU CB C 114 41.840 41.713 0.127 2
1 1410 . 1 1 A 114 114 LEU C C 114 177.486 178.212 -0.726 2
1 1411 . 1 1 A 115 115 ARG N N 115 119.039 118.534 0.505 2
1 1412 . 1 1 A 115 115 ARG H H 115 8.159 7.680 0.479 2
1 1413 . 1 1 A 115 115 ARG CA C 115 60.199 59.246 0.953 2
1 1414 . 1 1 A 115 115 ARG HA H 115 3.215 3.639 -0.424 2
1 1415 . 1 1 A 115 115 ARG CB C 115 28.049 29.289 -1.240 2
1 1426 . 1 1 A 115 115 ARG C C 115 177.460 178.363 -0.903 2
1 1427 . 1 1 A 116 116 GLN N N 116 115.221 118.342 -3.121 2
1 1428 . 1 1 A 116 116 GLN H H 116 6.825 7.805 -0.980 2
1 1429 . 1 1 A 116 116 GLN CA C 116 58.838 58.928 -0.090 2
1 1430 . 1 1 A 116 116 GLN HA H 116 3.830 3.896 -0.066 2
1 1431 . 1 1 A 116 116 GLN CB C 116 27.871 28.239 -0.368 2
1 1440 . 1 1 A 116 116 GLN C C 116 178.648 178.663 -0.015 2
1 1441 . 1 1 A 117 117 ARG N N 117 118.476 119.720 -1.244 2
1 1442 . 1 1 A 117 117 ARG H H 117 8.028 7.747 0.281 2
1 1443 . 1 1 A 117 117 ARG CA C 117 57.607 59.055 -1.448 2
1 1444 . 1 1 A 117 117 ARG HA H 117 4.117 4.088 0.029 2
1 1445 . 1 1 A 117 117 ARG CB C 117 30.040 30.324 -0.284 2
1 1454 . 1 1 A 117 117 ARG C C 117 179.370 178.527 0.843 2
1 1455 . 1 1 A 118 118 LEU N N 118 120.407 119.993 0.414 2
1 1456 . 1 1 A 118 118 LEU H H 118 8.533 8.001 0.532 2
1 1457 . 1 1 A 118 118 LEU CA C 118 58.295 57.806 0.489 2
1 1458 . 1 1 A 118 118 LEU HA H 118 3.950 3.983 -0.033 2
1 1459 . 1 1 A 118 118 LEU CB C 118 40.472 41.081 -0.610 2
1 1472 . 1 1 A 118 118 LEU C C 118 178.577 179.186 -0.609 2
1 1473 . 1 1 A 119 119 GLU N N 119 116.858 117.843 -0.985 2
1 1474 . 1 1 A 119 119 GLU H H 119 8.220 8.205 0.015 2
1 1475 . 1 1 A 119 119 GLU CA C 119 59.441 59.773 -0.332 2
1 1476 . 1 1 A 119 119 GLU HA H 119 4.047 4.018 0.029 2
1 1477 . 1 1 A 119 119 GLU CB C 119 29.271 29.244 0.026 2
1 1483 . 1 1 A 119 119 GLU C C 119 179.631 179.201 0.430 2
1 1484 . 1 1 A 120 120 GLU N N 120 119.797 119.989 -0.192 2
1 1485 . 1 1 A 120 120 GLU H H 120 8.199 8.179 0.020 2
1 1486 . 1 1 A 120 120 GLU CA C 120 59.223 59.405 -0.182 2
1 1487 . 1 1 A 120 120 GLU HA H 120 4.062 4.085 -0.023 2
1 1488 . 1 1 A 120 120 GLU CB C 120 29.562 29.314 0.248 2
1 1494 . 1 1 A 120 120 GLU C C 120 178.823 178.983 -0.160 2
1 1495 . 1 1 A 121 121 ARG N N 121 118.760 119.231 -0.471 2
1 1496 . 1 1 A 121 121 ARG H H 121 7.928 7.995 -0.067 2
1 1497 . 1 1 A 121 121 ARG CA C 121 58.065 59.213 -1.148 2
1 1498 . 1 1 A 121 121 ARG HA H 121 4.136 4.215 -0.079 2
1 1499 . 1 1 A 121 121 ARG CB C 121 29.478 30.320 -0.842 2
1 1508 . 1 1 A 121 121 ARG C C 121 178.426 178.792 -0.366 2
1 1509 . 1 1 A 122 122 GLN N N 122 119.430 119.435 -0.005 2
1 1510 . 1 1 A 122 122 GLN H H 122 8.323 8.278 0.045 2
1 1511 . 1 1 A 122 122 GLN CA C 122 58.489 59.127 -0.638 2
1 1512 . 1 1 A 122 122 GLN HA H 122 4.352 4.204 0.148 2
1 1513 . 1 1 A 122 122 GLN CB C 122 29.611 28.821 0.790 2
1 1522 . 1 1 A 122 122 GLN C C 122 177.291 176.979 0.312 2
1 1523 . 1 1 A 123 123 ARG N N 123 118.341 117.276 1.065 2
1 1524 . 1 1 A 123 123 ARG H H 123 7.920 7.815 0.105 2
1 1525 . 1 1 A 123 123 ARG CA C 123 57.695 57.610 0.085 2
1 1526 . 1 1 A 123 123 ARG HA H 123 4.266 4.346 -0.080 2
1 1527 . 1 1 A 123 123 ARG CB C 123 30.671 30.853 -0.182 2
1 1536 . 1 1 A 123 123 ARG C C 123 177.214 176.277 0.937 2
1 1537 . 1 1 A 124 124 ARG N N 124 119.452 119.678 -0.226 2
1 1538 . 1 1 A 124 124 ARG H H 124 7.850 8.247 -0.397 2
1 1539 . 1 1 A 124 124 ARG CA C 124 56.814 55.676 1.138 2
1 1540 . 1 1 A 124 124 ARG HA H 124 4.300 4.642 -0.342 2
1 1541 . 1 1 A 124 124 ARG CB C 124 30.672 32.065 -1.393 2
1 1550 . 1 1 A 124 124 ARG C C 124 176.540 175.363 1.177 2
1 1551 . 1 1 A 125 125 ARG N N 125 120.963 121.889 -0.926 2
1 1552 . 1 1 A 125 125 ARG H H 125 8.081 8.523 -0.442 2
1 1553 . 1 1 A 125 125 ARG CA C 125 56.514 55.697 0.816 2
1 1554 . 1 1 A 125 125 ARG HA H 125 4.355 4.610 -0.255 2
1 1555 . 1 1 A 125 125 ARG CB C 125 30.694 31.302 -0.608 2
1 1564 . 1 1 A 125 125 ARG C C 125 176.133 175.418 0.715 2
1 1565 . 1 1 A 126 126 LYS N N 126 122.811 122.919 -0.108 2
1 1566 . 1 1 A 126 126 LYS H H 126 8.252 8.481 -0.229 2
1 1567 . 1 1 A 126 126 LYS CA C 126 56.430 55.411 1.019 2
1 1568 . 1 1 A 126 126 LYS HA H 126 4.351 4.619 -0.268 2
1 1569 . 1 1 A 126 126 LYS CB C 126 33.017 34.224 -1.207 2
1 1581 . 1 1 A 126 126 LYS C C 126 175.649 176.076 -0.427 2
stop_
save_